smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cccs2)c1 6543175 DOIPGCJEKLWCQR-UHFFFAOYSA-N 415.496 2.648 50 40 HFGB O=C(Cn1c(=O)n(C2=CCCCC2)c2ccccc21)NNC(=O)c1ccccc1F 40128799 BREBFGMQPVZUMV-UHFFFAOYSA-N 408.433 2.818 50 40 HFGB Cc1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)n1 101169989 BFBQOWQCOPVYPS-IEOIMIPYSA-N 414.097 2.672 50 40 HFGB CO[C@@H](C(=O)N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1)c1ccccc1 408720323 YVVQLBUGLYMFJC-ZHNJOBQTSA-N 409.486 2.916 50 40 HFGB Cc1ccc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 408786784 NPUPSFIHJGVJHD-SSDVNMTOSA-N 413.421 2.930 50 40 HFGB O=C(CN1C[C@H](c2ccccc2)CC1=O)N/N=C/c1ccc(Br)cc1 408974265 YCQRKGZRBGMRBJ-BTZNOAQDSA-N 400.276 2.915 50 40 HFGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2c(C)cccc2C)cc1 409266690 XTHIMYBWKIGJRC-ZRWQFTNJSA-N 424.501 2.686 50 40 HFGB O=C(CNC(=O)c1ccco1)NNC(=O)c1cc(-c2ccccc2)nc2ccccc12 9882985 WTQMCUMGMIEJHY-UHFFFAOYSA-N 414.421 2.686 50 40 HFGB COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OCC(=O)N1CCCC1 32752041 LHNWSLQIGLGMGZ-DEDYPNTBSA-N 419.481 2.920 50 40 HFGB COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c([N+](=O)[O-])cc1OC 59676546 YWSRDIHDOMRMMN-ATVHPVEESA-N 422.441 2.868 50 40 HFGB Cc1ccc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)cc1 3449399 AXRSINJSSJAMDS-UHFFFAOYSA-N 423.494 2.895 50 40 HFGB C/C(=N/NC(=O)CN1CCN(Cc2ccc(C)cc2)CC1)c1cccc([N+](=O)[O-])c1 6009218 PNFSCAFQKYWTLI-NKFKGCMQSA-N 409.490 2.561 50 40 HFGB COc1ccc(OC)c(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1 8114338 PTDDJRWLVWLTCO-HYLGSWLWSA-N 401.850 2.860 50 40 HFGB N#C/C(=C/c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1)C(=O)NCCc1ccccc1 8763599 SPWWVUWOQITHBE-JXAWBTAJSA-N 421.478 2.860 50 40 HFGB CC(C)Oc1ccc(C(=O)NNC(=O)c2ccc(=O)n(Cc3ccccc3)c2)cc1 23109455 FYLSZRKNWQQAOX-UHFFFAOYSA-N 405.454 2.759 50 40 HFGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1OC 32116907 DIWQYOYHJNBYOL-FOKLQQMPSA-N 424.284 2.820 50 40 HFGB O=C(N/N=C/c1ccccc1O)C1CCC(C(=O)N/N=C/c2ccccc2O)CC1 48331855 DLRLQYGRNOHATF-RNIAWFEPSA-N 408.458 2.505 50 40 HFGB CCN(CC)Cc1ccc(C(=O)NNC(=O)c2ccccc2N(C)C(=O)C2CC2)o1 58114539 PQBDOFPEESHEGR-UHFFFAOYSA-N 412.490 2.569 50 40 HFGB COc1ccc(NC(=O)C(=O)N/N=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 223151408 BURAISBENBSGJH-MTJSOVHGSA-N 408.370 2.952 50 40 HFGB CCOC(=O)c1cc(C(=O)OCC)c(NNC(=O)Nc2ccc(Cl)cc2)nc1O 1401515 QUKHNRZOTKVEFJ-UHFFFAOYSA-N 422.825 2.943 50 40 HFGB CCCN1C(=O)/C(=N/NC(=O)[C@H](O)c2ccccc2)c2cc(Br)ccc21 5643696 RJWUOCOUWSLACF-GFXBCDTMSA-N 416.275 2.760 50 40 HFGB C[C@H](Oc1ccc(/C=N/NC(=O)COc2ccc(Br)cc2)cc1)C(=O)O 59249454 XAISHRJUEKUJBA-QDBSGRMGSA-N 421.247 2.830 50 40 HFGB CSc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 408867559 LIKHZXTZPUZMAI-YBFXNURJSA-N 411.936 2.978 50 40 HFGB CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCC)c(OC)c1 408907836 PCCSDJZTHROIOY-FSTGKYBXSA-N 413.474 2.901 50 40 HFGB CCOc1ccc(N2C[C@@H](C(=O)N/N=C/c3ccc(OC)c(OC)c3)CC2=O)cc1 409256857 MNONVTACTQBJOF-OHHQFBAHSA-N 411.458 2.606 50 40 HFGB O=C(CSc1nnc(NCc2ccc(F)cc2)s1)NNC(=O)c1cccs1 16335124 LNHOAXJLACBUEE-UHFFFAOYSA-N 423.520 2.904 50 40 HFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(Cl)cc1)c1ccccc1Cl 20493189 JLZIJANABQDNCD-VXLYETTFSA-N 400.287 2.910 50 40 HFGB COc1cc(C)c(S(=O)(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)cc1OC 26531797 QOGSBFIJKHLESX-UHFFFAOYSA-N 406.504 2.933 50 40 HFGB O=C1CCC(=O)N1CCOc1ccccc1P(=O)(c1ccccc1)c1ccccc1 97955696 KCZUOLJGRVKZTQ-UHFFFAOYSA-N 419.417 2.854 50 40 HFGB O=C1[C@H]2[C@H](C(=O)N1c1ccccc1O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br 101139532 MTFVELSRMDRANT-BOCQSXMYSA-N 415.081 2.675 50 40 HFGB O=C(CCC(=O)NNC(=O)CC1CCCCC1)NCc1cccc(Br)c1 199421426 JGGMWLROQMNWIV-UHFFFAOYSA-N 424.339 2.963 50 40 HFGB O=C(N/N=C/c1ccccc1I)c1cc([N+](=O)[O-])ccc1O 409041894 KPTTTWKFCWTMKG-LZYBPNLTSA-N 411.155 2.669 50 40 HFGB COc1cccc(/C=N\NC(=O)COc2ccccc2Cl)c1O[C@@H](C)C(=O)O 409235053 AUOPVWGFGRKRRW-INEXWVMZSA-N 406.822 2.730 50 40 HFGB Cc1cc(Br)cc(/C=N/NC(=O)COc2cccc([N+](=O)[O-])c2)c1O 1433517 SVEUIOQSHMUKFZ-QGMBQPNBSA-N 408.208 2.900 50 40 HFGB O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/C(Br)=C/c1ccccc1 4132469 MQDCYDGAUMFFRF-ULQIOQDBSA-N 411.263 2.878 50 40 HFGB Cc1cc(/C=C(\C#N)C(=O)OCC(=O)NNC(=O)c2ccccc2)c(C)n1CC(C)C 5180728 NISUIAQSPDOXPS-RGVLZGJSSA-N 422.485 2.672 50 40 HFGB C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)CN2CCCCC2)cc1)c1ccccc1 5672024 IXZGLCDESMUNHV-PTFSYIGCSA-N 422.529 2.879 50 40 HFGB CC/C(NNC(=O)c1ccccc1Cl)=C1/C(=O)NC(=O)N(C2CCCCC2)C1=O 6390768 UFVWJAWTMVHJAG-FOCLMDBBSA-N 418.881 2.650 50 40 HFGB C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)CCCNC(=O)c1ccc(Cl)cc1 18054597 WGPFMPSFSVANBZ-CYBMUJFWSA-N 421.856 2.604 50 40 HFGB CC1(C)[C@H]2CC(Br)(Br)C(=O)[C@@]1(CBr)OC2=O 110501697 ZCNUNAAFUSTIKG-SSDLBLMSSA-N 418.907 2.778 50 40 HFGB C=CCNC(=O)C(=O)N/N=C/c1cccc(OC)c1OCc1ccccc1Cl 408611228 VNGVLODMNZPJOE-FSJBWODESA-N 401.850 2.680 50 40 HFGB CCOc1cc(/C=C(/C#N)C(=O)NC)ccc1OCC(=O)Nc1ccccc1OC 409013670 NFUNYXBXNGGDKH-WJDWOHSUSA-N 409.442 2.764 50 40 HFGB COc1ccc(C(=O)N[C@H](C(=O)NNC(=O)c2ccc(Cl)cc2)C(C)C)cc1 6551515 CFCBNYNRCCNWRD-KRWDZBQOSA-N 403.866 2.564 50 40 HFGB Cc1cc(Br)cc(C)c1OCC(=O)N/N=C1\C(=O)N(C)c2ccccc21 4671976 KYRWHFIUFWIOMK-XLNRJJMWSA-N 416.275 2.942 50 40 HFGB COc1cc(OC)cc(C(=O)N/N=C/c2cc(Br)c(O)c(OC)c2)c1 5670052 KJRYNBHNKAMJSE-DJKKODMXSA-N 409.236 2.944 50 40 HFGB Cc1c(C(=O)NNC(=O)CN2CCCCCC2=O)oc2ccc(Br)cc12 14244858 JHVURAASAACRNG-UHFFFAOYSA-N 422.279 2.667 50 40 HFGB O=C1[C@H]2[C@@H]3C[C@@H]([C@@H](Br)[C@H]3Br)[C@@H]2C(=O)N1c1cccc(O)c1 4015935 LIAJPCACUBPKDT-XALSLBCYSA-N 415.081 2.675 50 40 HFGB O=[N+]([O-])c1ccc(S(=O)(=O)C[C@H](Cl)CS(=O)(=O)Cc2ccccc2)cc1 9892576 YUZIZZUWBVDGEK-CQSZACIVSA-N 417.892 2.591 50 40 HFGB COc1ccc(N([C@@H](C)C(=O)N/N=C/c2cccc(Cl)c2)S(C)(=O)=O)cc1 19953575 DWLHLDWRNGQJQI-DZUMZMOTSA-N 409.895 2.653 50 40 HFGB Cc1ccc(OCC(=O)N/N=C/c2cc(O)c(O)cc2[N+](=O)[O-])c(Br)c1 36020246 LYFSPUCZXGPOAR-CNHKJKLMSA-N 424.207 2.606 50 40 HFGB CN(C)C(=O)/C(C#N)=C\c1cc(Br)c(O)c(I)c1 59333565 FXQOGCZNEFLNKS-BAQGIRSFSA-N 421.032 2.754 50 40 HFGB O=C(CNC(=O)c1ccco1)N/N=C/c1cccc(OC(=O)c2cccc(F)c2)c1 3116393 MHBBBOVUKONYQE-WYMPLXKRSA-N 409.373 2.518 50 40 HFGB CCc1ccc(OCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 4180451 BHSUYXJASJNFAC-HYARGMPZSA-N 412.446 2.523 50 40 HFGB Cn1nc(C(=O)NNC(=O)c2cccc(Oc3ccccc3)c2)c2ccccc2c1=O 6237473 CJUINIDMDLKCHT-UHFFFAOYSA-N 414.421 2.801 50 40 HFGB CCOc1ccccc1/C=N/NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 16693371 UCQJXCKCIYTLEM-UDWIEESQSA-N 409.895 2.510 50 40 HFGB O=C(N/N=C1/C(=O)N(Cc2cccc([N+](=O)[O-])c2)c2ccccc21)c1ccncc1 103723798 RTSMHKXWMRXQNO-FCDQGJHFSA-N 401.382 2.671 50 40 HFGB COc1cc(/C=N/NC(=O)C(=O)NC2CC2)cc(Cl)c1OCc1ccccc1 408607899 FMIAPOFMADJMBV-SSDVNMTOSA-N 401.850 2.656 50 40 HFGB COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)CCc2ccccc2)c(OC)c1 1810783 SKJPKHMNUGQNQV-XMHGGMMESA-N 408.454 2.903 50 40 HFGB O=C(CSc1ccc([N+](=O)[O-])cc1)NNC(=O)c1ccc(Br)cc1 3448959 RQPVWWMQOWBIML-UHFFFAOYSA-N 410.249 2.911 50 40 HFGB COCCCNC(=O)Cn1cc(/C=C(\C#N)C(=O)NCc2ccco2)c2ccccc21 5015239 MVSXDFKBJAHPFB-SFQUDFHCSA-N 420.469 2.610 50 40 HFGB CCOC(=O)C1=C(COC)OC(N)=C(C#N)[C@@H]1c1ccc(OC)c(Br)c1 8397221 WJFNCLUSJBSQJF-HNNXBMFYSA-N 423.263 2.729 50 40 HFGB CCCOc1ccc(/C=N/NC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)cc1 20207752 SPGUBOXNXLNJDV-KGENOOAVSA-N 403.504 2.700 50 40 HFGB CCCOc1ccc(/C=N/NC(=O)CN(c2ccccc2CC)S(C)(=O)=O)cc1 20208913 XQQZFPSBFINLJM-PXLXIMEGSA-N 417.531 2.954 50 40 HFGB COc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc([N+](=O)[O-])c1O 36239646 PKOKNZYDVDTOHU-GIJQJNRQSA-N 408.208 2.764 50 40 HFGB Cc1ccc(-c2c(C(=O)N/N=C/c3cccc(Cl)c3)nnn2-c2nonc2N)cc1 2396522 DTSJGFAHCYJYMM-LSHDLFTRSA-N 422.836 2.625 50 40 HFGB Cc1ccc2[nH]c(C)c(CC(=O)NNC(=O)CCC(=O)NCCc3ccccc3)c2c1 4680386 PPQLYHHEWKELQK-UHFFFAOYSA-N 420.513 2.614 50 40 HFGB O=C(N/N=C/c1cc2cc3c(cc2[nH]c1=O)OCO3)c1ccc(Br)cc1 9356747 FMSYTULCHWTYOC-DNTJNYDQSA-N 414.215 2.783 50 40 HFGB Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)C(=O)NCc2cccnc2)c1C 58912353 MLDXBHKDNOAMER-VULFUBBASA-N 403.486 2.872 50 40 HFGB O=C(N/N=C/c1cn(CC(=O)N2CCOCC2)c2ccccc12)c1ccc(Cl)cc1 408962813 VMLKSCPFXDMCKC-ZMOGYAJESA-N 424.888 2.917 50 40 HFGB C[C@H](Oc1ccc(Br)cc1)C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 686973 KTBPZCWRVXJWBW-JTQLQIEISA-N 408.208 2.586 50 40 HFGB Cc1ccccc1NCC(=O)N/N=C/c1cc(I)ccc1O 1203104 SPBQSGWVMNNXJL-DJKKODMXSA-N 409.227 2.867 50 40 HFGB COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(C[C@@H]4CCCO4)c(=O)c32)c(OC)c1 2255947 MCDOYFQBYVYIAF-YWZLYKJASA-N 423.469 2.571 50 40 HFGB C/C(CC(=O)Nc1ccc(Br)cc1)=N\NC(=O)Cc1csc(N)n1 100530304 JDDIBMIRASUCGF-AWQFTUOYSA-N 410.297 2.551 50 40 HFGB N#C/C(=C/c1ccc(OCC(=O)N2CCOCC2)cc1)C(=O)Nc1ccc(F)cc1 409236939 HBCOLLWWCZMXMX-LGMDPLHJSA-N 409.417 2.609 50 40 HFGB NC(=O)COc1ccc(/C=N\NC(=O)c2ccc(Br)cc2)cc1Cl 409265685 NUETXERSIFJGJG-ZBKNUEDVSA-N 410.655 2.731 50 40 HFGB COc1cc(C(=O)NNC(=O)COc2ccc(Cl)c(C)c2C)cc(OC)c1OC 1926732 UNQSHAOMFLNDPS-UHFFFAOYSA-N 422.865 2.823 50 40 HFGB O=C(NNC(=S)NC(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1Cl 2135498 KTFWGNFKFRWGPO-UHFFFAOYSA-N 413.242 2.851 50 40 HFGB CCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C(\C)c2cccc([N+](=O)[O-])c2)c1 4965002 XHVLHOTUTXRYTE-XSFVSMFZSA-N 418.475 2.779 50 40 HFGB CCOc1cc(C(=O)N/N=C/c2c(CO)cnc(C)c2O)cc(OCC)c1OCC 7737284 PUTFJBLGSMDGSN-FOKLQQMPSA-N 417.462 2.548 50 40 HFGB Cc1ccc(OCC(=O)N/N=C/c2cc(Cl)cc([N+](=O)[O-])c2O)c([N+](=O)[O-])c1 9355269 AQEMZTXHKDDMLD-CNHKJKLMSA-N 408.754 2.700 50 40 HFGB CC(C)=NNC(=O)[C@H](C)Sc1nnc(S[C@@H](C)C(=O)NN=C(C)C)s1 16322356 QLYYYOGOIJXCNH-UWVGGRQHSA-N 402.571 2.523 50 40 HFGB C[C@@]1(C(=O)NNC(=O)[C@H]2C[C@@H]2c2ccccc2)CC1(Br)Br 4772853 BICHOTDPOQHVQT-SUNKGSAMSA-N 416.113 2.834 50 40 HFGB COc1cc(OC)c(C(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)cc1OC 6497813 ZIOXTTFJXIBOON-UHFFFAOYSA-N 409.398 2.711 50 40 HFGB CC[C@@H](C)c1ccc(S(=O)(=O)NNC(=O)c2cc(Br)cn2C)cc1 12922842 WOEHYZIOPVMVMI-LLVKDONJSA-N 414.325 2.924 50 40 HFGB Cc1ccc(/C=c2\sc3n(c2=O)C(N)=C(C#N)[C@@H](c2ccc(C)s2)C=3C#N)s1 13755997 ANKOLQZAWULFMW-BOVGMKJQSA-N 422.560 2.601 50 40 HFGB O=C(N/N=C/[C@@H]1C(=O)NC(=S)N(c2ccccc2)C1=O)c1ccc2ccccc2c1 408740761 MHCHVWYRYIVPNX-ZMPUUUETSA-N 416.462 2.620 50 40 HFGB O=C(CN1C[C@@H](c2ccccc2)CC1=O)N/N=C/c1cc([N+](=O)[O-])ccc1Cl 408972968 IYIHEZRDLSRDBH-LKKXKRCMSA-N 400.822 2.714 50 40 HFGB O=C(N/N=C/c1cc(Br)ccc1O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 409158373 SQRQYCYIQJFTOX-NLTBIBMSSA-N 420.238 2.797 50 40 HFGB N#C/C(=C\c1ccc(OCC(N)=O)cc1)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 4953699 MTRCGRARDKRIJV-KPKJPENVSA-N 400.778 2.658 50 40 HFGB CCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C(\C)c2ccc3c(c2)OCO3)c1 5591626 LRIDHVLRZROUBB-KGENOOAVSA-N 417.487 2.600 50 40 HFGB CCOc1ccc([C@@H]2[C@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OCC 19851675 KFWYOMRYYBKSQR-GHTZIAJQSA-N 403.486 2.839 50 40 HFGB C[C@H](Cc1ccc2c(c1)O[C@H](C(=O)OC(=O)O)O2)NC[C@H](O)c1cccc(Cl)c1 78585079 KEYJFXTXWGRDMM-VZMUKZCBSA-N 421.833 2.913 50 40 HFGB O=C(CCl)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(C(F)(F)F)c1 101311520 DZYHZFOADADYHW-SJBLEHGESA-N 412.842 2.546 50 40 HFGB O=C(NCc1ccccc1)[C@H]1CC=CC[C@H]1C(=O)NNc1ncnc2ccccc12 7989037 ICEUPMXJFYIHGF-ZWKOTPCHSA-N 401.470 2.972 50 40 HFGB O=C(CCCn1c(=O)oc2ccccc21)NNC(=O)c1ccccc1-n1cccc1 10037752 YZPISEZQIXYVNE-UHFFFAOYSA-N 404.426 2.627 50 40 HFGB O=C(NC(=S)NNC(=O)c1cccs1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 32119095 OCXYAORFZBFVNS-UHFFFAOYSA-N 416.440 2.866 50 40 HFGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)NCc3ccncc3)c2C)cc1C 58912383 IJCZQHAQPVUFHZ-VULFUBBASA-N 403.486 2.872 50 40 HFGB O=C(CCl)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1c(Cl)cccc1Cl 101303897 NPSZNSAWIDTEEQ-LYFSXQJVSA-N 413.735 2.834 50 40 HFGB Cc1ccccc1Nc1ccc(C(=O)O)cc1/C=N/NC(=O)C(=O)NC1CCCC1 408706909 DYWVQULPWRYCHO-YDZHTSKRSA-N 408.458 2.946 50 40 HFGB CCOc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)cc1 408776462 ZOMAMYOUAZWKLJ-FYJGNVAPSA-N 403.504 2.618 50 40 HFGB N#C/C(=C/c1cc(Br)c(N2CCOCC2)o1)C(=O)NCc1ccco1 408861644 DXLGZWFOPJHGGP-WQLSENKSSA-N 406.236 2.695 50 40 HFGB CCOc1ccc(Br)cc1/C=N/NC(=O)CSc1nnc(N)s1 1907232 ZKXIUXWTTJKFDM-OMCISZLKSA-N 416.326 2.524 50 40 HFGB Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)[C@@H]3CCCC[C@@H]3C(=O)O)cc2)c1 12289991 BBLQGGCTITUIKP-MOPGFXCFSA-N 423.469 2.899 50 40 HFGB CC1=C(C#N)C(=O)N(CCCO)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 13424449 HICYUPYYKUZACF-BOPFTXTBSA-N 407.382 2.829 50 40 HFGB CCOC(=O)COc1ccc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1 408778285 CUIIGVZMKHPSGT-SILNSSARSA-N 419.481 2.884 50 40 HFGB Cc1ccsc1/C=N/NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1 408988119 GYKYXTBMMGKNLY-HPMPDSITSA-N 411.487 2.767 50 40 HFGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc2c(cc1Br)OCO2 873834 LEJJLXGECDEQCR-HNNXBMFYSA-N 407.220 2.823 50 40 HFGB Cc1cc2c(c(=O)n1Cc1ccc3c(c1)OCO3)[C@H](c1ccco1)C(C#N)=C(N)O2 2247701 GFHMRZHUBJWTJR-IBGZPJMESA-N 403.394 2.745 50 40 HFGB CCCOc1ccc([C@H]2[C@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC 20000612 WLIRNOIIACLERB-RXVVDRJESA-N 403.486 2.839 50 40 HFGB CCOc1ccc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)cc1 408782079 VNVUTQOCBRYZBW-FYJGNVAPSA-N 403.504 2.618 50 40 HFGB Cc1ccc(C(=O)NNC(=O)CSc2nnc3c(n2)[nH]c2ccc(C)cc23)cc1 8686944 LUYRKIPFNLIMDO-UHFFFAOYSA-N 406.471 2.676 50 40 HFGB COCCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1 408603353 GNNHCILEQIPUMW-FOKLQQMPSA-N 424.284 2.785 50 40 HFGB CCOc1ccc(N([C@H](C)C(=O)N/N=C/c2cccc(C)c2)S(C)(=O)=O)cc1 408923970 ITDKMZXTFOKJPD-ZFMLPXDISA-N 403.504 2.699 50 40 HFGB CCOc1ccc2ccccc2c1/C=N/NC(=O)CNC(=O)COc1ccccc1 2266908 BKTCNXBWIGNELJ-AFUMVMLFSA-N 405.454 2.884 50 40 HFGB CCCOc1ccc(C(=O)CCC(=O)NNC(=O)COc2ccc(C#N)cc2)cc1 32971584 MGQCEKVKJUEWAQ-UHFFFAOYSA-N 409.442 2.536 50 40 HFGB C=CCNC(=O)CC(=O)N/N=C\c1cc(C)n(-c2ccc(Br)cc2)c1C 58913959 DQFFOFBWVKKQJS-UUYOSTAYSA-N 417.307 2.999 50 40 HFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1O)c1ccc(Cl)c(Cl)c1 408926541 UNLQMXVPVSYJBF-DJKKODMXSA-N 416.286 2.615 50 40 HFGB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C/c3ccncc3)cc2)cc1 409127222 HCZJCBXNPONKJD-HZHRSRAPSA-N 408.483 2.979 50 40 HFGB CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(Br)s3)[C@H]2C1 4473475 XWHGWLWVQHNFFY-SWLSCSKDSA-N 400.305 2.866 50 40 HFGB CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cc(OC)cc(OC)c3)[C@H]2C1 4631468 LWFAHMGEWUDBPH-LEWJYISDSA-N 403.486 2.839 50 40 HFGB CCCCOCCCNC(=O)CCC(=O)NNC(=O)c1cc2cc(Cl)ccc2[nH]1 4680974 FXHDHWJNKQWJHC-UHFFFAOYSA-N 422.913 2.686 50 40 HFGB COc1ccc(N2C(=O)N=C(O)/C(=C\NNC(=O)c3ccccc3Cl)C2=O)cc1 9012660 SFKISQMWIKQEOF-GXDHUFHOSA-N 414.805 2.590 50 40 HFGB C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNS(=O)(=O)c1cc(F)cc(F)c1 12856756 FJSHWJFLRWKITE-GFCCVEGCSA-N 406.410 2.895 50 40 HFGB CC(C)c1ccc(S(=O)(=O)NNC(=O)c2cc(Br)cn2C)cc1 12921822 IIGPGIOXMFSZGO-UHFFFAOYSA-N 400.298 2.534 50 40 HFGB CCS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1Cl)c1ccc(OC)cc1 59490239 KZCVQZMGYIMXRA-UDWIEESQSA-N 409.895 2.655 50 40 HFGB O=C(NNC(=O)N1CCO[C@@H](c2cccc(Br)c2)C1)c1ccccc1 84519301 HECJLEHFVWEDKI-MRXNPFEDSA-N 404.264 2.877 50 40 HFGB O=C(Cc1ccccc1)NNC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408838816 IVGVAWFXUZSQAF-UHFFFAOYSA-N 418.409 2.851 50 40 HFGB COc1cc(C(=O)NNC(=O)[C@@H](C)Br)c(-n2c(C)ccc2C)cc1OC 2383395 CKWUBHFSOSTYJS-GFCCVEGCSA-N 424.295 2.656 50 40 HFGB COC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2cccc(OC)c2)cc1OC 14134338 PPJKCHAHMGHDFJ-UFFVCSGVSA-N 406.822 2.673 50 40 HFGB O=C(NNC(=O)c1ccc(=O)n(Cc2ccccc2)c1)c1cccc(C(F)(F)F)c1 16839233 GPVIWDHOVUYDGE-UHFFFAOYSA-N 415.371 2.990 50 40 HFGB CSc1ccc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 20208568 ACSFAJOYWFRQMS-UDWIEESQSA-N 405.545 2.942 50 40 HFGB O=C(COc1ccc(/C=N/NC(=O)c2ccccc2O)cc1)NCCc1ccccc1 28214796 JNMGRRQEDADDOJ-WGOQTCKBSA-N 417.465 2.894 50 40 HFGB Cc1cccc(N2C(=O)[C@H]3[C@@H]4C[C@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)n1 100567689 BFBQOWQCOPVYPS-BEQXCEGASA-N 414.097 2.672 50 40 HFGB N#Cc1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])cc(Br)c2O)c(F)c1 408965093 GDROXIQQYFQVOR-FBCYGCLPSA-N 407.155 2.838 50 40 HFGB Cc1ccc(/C=N/NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)cc1 408989750 LWXBERPOFCZWNO-GZQNEBGJSA-N 405.458 2.706 50 40 HFGB C=C1C(=O)O[C@@H]2C=C(COC(C)=O)CCC=C(C=O)C[C@H](OC(=O)CC(C)C)[C@@H]12 958318592 SLDSEAYVUCFJOD-QKNQBKEWSA-N 404.459 2.841 50 40 HFGB biogenic,in-vitro C[C@]1(C(=O)NNC(=O)[C@@H]2C[C@H]2c2ccccc2)CC1(Br)Br 102669204 BICHOTDPOQHVQT-MISXGVKJSA-N 416.113 2.834 50 40 HFGB CCOc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 408775134 ZGMGYODWWRIBPO-UDWIEESQSA-N 409.895 2.655 50 40 HFGB Cc1cc(Br)cc(C)c1OCC(=O)N/N=C1\C(=O)Nc2ccccc21 4600084 HGBKCURLSMSCDZ-UHFFFAOYSA-N 402.248 2.917 50 40 HFGB Cc1cc(/C=N/NC(=O)C(=O)NCc2cccnc2)c(C)n1-c1cccc(Cl)c1 6266128 UCBKHSYDZQRHOM-DHRITJCHSA-N 409.877 2.909 50 40 HFGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cc(C)cc(C)c2)cc1 409266761 RCWVVLBBCWGSSD-PDERCVKFSA-N 424.501 2.686 50 40 HFGB COc1ccc2[nH]c(=O)c([C@H]3C(C#N)=C(N)OC(C)=C3C(=O)OC(C)(C)C)cc2c1 876550 KIALPQOSZIZDLW-SFHVURJKSA-N 409.442 2.960 50 40 HFGB COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc2cc3c(cc2nc1Cl)OCCO3 891981 CTGMCLQXAGAFRX-KRWDZBQOSA-N 413.817 2.914 50 40 HFGB CCCCOc1ccccc1C(=O)NNC(=S)NC(=O)c1cccc([N+](=O)[O-])c1 2064472 FXUFXGCCUPCBSB-UHFFFAOYSA-N 416.459 2.723 50 40 HFGB CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)c3nn(CCO)c(N)c3C#N)o2)cc1 5598612 ZCFNJMPQQRGDIA-LFIBNONCSA-N 417.425 2.830 50 40 HFGB CCOc1ccc(S(=O)(=O)NNC(=O)c2csc(-c3ccc(F)cc3)n2)cc1 15659318 JZMRXLRBXLRPMY-UHFFFAOYSA-N 421.475 2.971 50 40 HFGB COc1cccc(/C=N/NC(=O)COc2ccc(Cl)cc2)c1O[C@H](C)C(=O)O 409230672 FGILSEUDEWDJHL-FZTAQKCPSA-N 406.822 2.730 50 40 HFGB Cc1cccc(C(=O)NNC(=O)CSc2ncnc3c2cnn3-c2ccccc2)c1 1346270 NFZRJLCDMXUCFO-UHFFFAOYSA-N 418.482 2.677 50 40 HFGB C[C@H](O/N=C\c1ccc(Br)cc1)C(=O)N/N=C1\C(=O)Nc2ccccc21 16322212 PVCFYNBHZAZKAO-ASKIBSTCSA-N 415.247 2.661 50 40 HFGB O=C(CN(c1ccccn1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1F 19951230 DUORRLFQPXWKIH-OEAKJJBVSA-N 412.446 2.566 50 40 HFGB O=C(CCCNC(=O)c1ccccc1)NNC(=O)c1ccc(COc2ccccc2)o1 24463879 OSNCJKFLNVDTDQ-UHFFFAOYSA-N 421.453 2.830 50 40 HFGB CC(=O)[C@H]1CC[C@@H]2[C@]1(C)C[C@@H]1O[C@@]13[C@@]21C=C[C@]2(CC(=O)CC[C@@]23C)[C@H]2C(=O)OC(=O)[C@@H]21 118936379 WNFIGTUQYIFFFM-OQWAQKRJSA-N 424.493 2.781 50 40 HFGB COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(C[C@@H]4CCCO4)c(=O)c32)c1OC 2249499 ZKAMUOLOYPLABX-IFXJQAMLSA-N 423.469 2.571 50 40 HFGB COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccncc4)c32)cc(OC)c1OC 5067655 ZXSASJJSXXWNRY-INIZCTEOSA-N 405.414 2.716 50 40 HFGB O=C(CCl)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(C(F)(F)F)c1 9266969 DZYHZFOADADYHW-PDWPUUMPSA-N 412.842 2.546 50 40 HFGB C/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C 25781845 QLCQCCAVSASPCV-ODLFYWEKSA-N 409.362 2.546 50 40 HFGB COc1ccc(NC(=S)NNC(=O)COc2cccc(Br)c2)cc1 59449424 YOBXGQLPOJCVNJ-UHFFFAOYSA-N 410.293 2.854 50 40 HFGB C/C(N)=C(\C#N)C(=O)CSc1nc2ccccc2c(=O)n1CCCOC(C)C 104417581 JTJWNXREEKMQMR-PEZBUJJGSA-N 400.504 2.629 50 40 HFGB CCCCN1C(=O)c2ccc(C(=O)N/N=c3/sc4ccccc4n3C)cc2C1=O 3294840 GVNOCFSNGCWKIL-XTQSDGFTSA-N 408.483 2.882 50 40 HFGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccc(C(C)C)cc2)cc1 6377362 UIEYGBSAPLBLPG-FYJGNVAPSA-N 403.504 2.589 50 40 HFGB COC(=O)COc1cccc(/C=N/NC(=O)CSCc2ccc(OC)cc2)c1 5917199 SGJVWVLIVIUSAY-SRZZPIQSSA-N 402.472 2.631 50 40 HFGB Cc1ccccc1C(=O)NNC(=O)CN1C(=O)/C(=C\c2cccs2)SC1=S 8820231 KXBYDSNQCAPREI-NTEUORMPSA-N 417.537 2.719 50 40 HFGB O=C(NNC(=O)c1cccn(Cc2ccc(Cl)c(Cl)c2)c1=O)c1ccco1 23109406 ZDPSKWVNJBFIAZ-UHFFFAOYSA-N 406.225 2.871 50 40 HFGB Cc1ccc(-c2cc(C(=O)NNC(=O)CCSCC(N)=O)c3ccccc3n2)cc1 32772293 BXLDGKMRRDSHLL-UHFFFAOYSA-N 422.510 2.580 50 40 HFGB O=C(CCl)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1C(F)(F)F 101308591 WRKUVEZEOVALTC-SJBLEHGESA-N 412.842 2.546 50 40 HFGB CC1(C)[C@]2(C(=O)NN)CC[C@]1(C(Br)Br)[C@H]2Br 217604900 ILSUHDVXLKAOJW-UAINPKIQSA-N 418.955 2.662 50 40 HFGB CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)OC)N=C(O)[C@H]2C(=O)OC)cc1 2310598 NXIQDFDPUBDKJH-HOTGVXAUSA-N 404.444 2.570 50 40 HFGB CCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc3ccccc3c2)cc1 12137097 HPSKCHWYNRCTNA-UHFFFAOYSA-N 423.494 2.953 50 40 HFGB COc1ccc(Br)cc1C(=O)N/N=C/c1cccc(OCC(=O)O)c1 408748375 CTSYOLPHFHJYET-DJKKODMXSA-N 407.220 2.685 50 40 HFGB COc1ccc(CNC(=O)/C(C#N)=C/c2cc([N+](=O)[O-])cc(OC)c2O)c(OC)c1 408880823 HOOZFNHDBSHURJ-MKMNVTDBSA-N 413.386 2.550 50 40 HFGB Cc1ccc(-n2nc(C(=O)N/N=C\c3ccc(F)cc3)c(C)c(C#N)c2=O)cc1C 409061481 XVCLMLHPIBQETE-ROTLSHHCSA-N 403.417 2.932 50 40 HFGB CCCOc1ccc(/C=N/NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)cc1 409113943 OWFITHYGXDAUSL-FYJGNVAPSA-N 407.467 2.531 50 40 HFGB O=C(NNC(=S)NCc1ccccc1)c1cccc(I)c1 6447720 ASYXNYNJYCSQOV-UHFFFAOYSA-N 411.268 2.600 50 40 HFGB C[C@@]12Sc3[nH]c(=O)sc3[C@@H](c3ccc(O)cc3)[C@H]1[C@@H]1C[C@@H]2[C@H]2C(=O)OC(=O)[C@@H]21 101262370 ADHPPXRKHNHSEK-DPSRKARLSA-N 415.492 2.720 50 40 HFGB O=C(N[C@@H](Cc1cnc[nH]1)C(=O)N/N=C/c1ccc(F)cc1)OCc1ccccc1 408992666 UOZQZRLRYJXZEO-ZDZUNBPVSA-N 409.421 2.537 50 40 HFGB CCc1ccc(N(CC(=O)N/N=C/c2ccccn2)S(=O)(=O)c2ccccc2)cc1 409027791 FBCCHHQKINTSII-LFVJCYFKSA-N 422.510 2.990 50 40 HFGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(C)cc1C 409265017 MFXNOKQVHNDMNG-PDERCVKFSA-N 424.501 2.686 50 40 HFGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(N)=O)c(Cl)c2)cc1OCC 409316678 MWFKFOHRXKMGFV-KSEXSDGBSA-N 419.865 2.765 50 40 HFGB COc1cc(OC)cc(C(=O)N/N=C/c2cc(Br)cc(OC)c2O)c1 8339703 RBUUDDMBBCIBOZ-DJKKODMXSA-N 409.236 2.944 50 40 HFGB Cc1nc(N)[nH]c(=O)c1CCCNc1ccc(CCC2(CCl)OCCO2)cc1 8618641 STZJNPYNLLYPFA-UHFFFAOYSA-N 406.914 2.620 50 40 HFGB O=C(CCc1ccccc1)NNC(=O)COCC(=O)Nc1cccc(Cl)c1Cl 9849494 GQMUVEKNNXTOJM-UHFFFAOYSA-N 424.284 2.729 50 40 HFGB COc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)cc(Cl)c1OCC(N)=O 12817037 IZKOFNKYOMSLRH-VUMOSAOLSA-N 405.882 2.815 50 40 HFGB CC1(C)[C@@H]2CC(Br)(Br)C(=O)[C@@]1(CBr)OC2=O 33803049 ZCNUNAAFUSTIKG-MLUIRONXSA-N 418.907 2.778 50 40 HFGB CN(C)c1cccc(OCC(=O)N/N=C\c2cccn2-c2cccc(C(=O)O)c2)c1 409100560 UUPVRTSZGJCAQU-UCQKPKSFSA-N 406.442 2.771 50 40 HFGB COc1ccc(CC(=O)NNC(=O)c2c[nH]c(=S)n2-c2ccc(F)cc2)cc1 12544062 VOMPMSIYTQDIDH-UHFFFAOYSA-N 400.435 2.686 50 40 HFGB COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2Br)cc1OC 59435820 VFXLVLODYIGVCC-VXLYETTFSA-N 406.236 2.555 50 40 HFGB COc1ccc(/C(C)=N/NC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)cc1 408773377 KFRCZJVKJCXPTF-KGENOOAVSA-N 423.922 2.963 50 40 HFGB COCCNC(=O)/C(C#N)=C/c1c(Oc2ccc(F)cc2)nc2c(C)cccn2c1=O 2440319 JWYWRTGILMMKEJ-NTCAYCPXSA-N 422.416 2.604 50 40 HFGB Cc1ccc(O[C@H](C)C(=O)NNC(=O)COc2ccc(Br)cc2)cc1 8038301 HSFNKZZKLXWXSD-CYBMUJFWSA-N 407.264 2.751 50 40 HFGB CS(=O)(=O)N(CC(=O)N/N=C/c1c(Cl)cccc1Cl)c1ccccc1 19954074 QJOLQKVCHQJWPY-VXLYETTFSA-N 400.287 2.910 50 40 HFGB COc1ccc(C(=O)NNC(=O)Cc2c(C)nn(-c3ccccc3)c2C)cc1OC 21190089 RUYCCULANZIPRI-UHFFFAOYSA-N 408.458 2.510 50 40 HFGB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)N/N=C\c1ccc(O)cc1 39986581 QSNYVWHYJGZRFC-HAHDFKILSA-N 423.494 2.733 50 40 HFGB CC(C)(OC(=O)[C@H]1[C@H]2C(=O)O[C@H]3[C@@H]2C[C@H]1[C@H]3Br)C(=O)c1ccccc1 138883717 ONRAGMRPHNTMRM-LACSLYJWSA-N 407.260 2.762 50 40 HFGB NNC(=O)CN(Cc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 409060010 UMICKWPQQWIBPD-UHFFFAOYSA-N 422.721 2.828 50 40 HFGB COc1cc(/C=C(\C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)ccc1O 5525098 QTOGBPNZTUQKRO-GHRIWEEISA-N 403.442 2.882 50 40 HFGB Cc1ccc(NC(=O)COC(=O)c2ccc(/C=N\NC(=O)c3ccncc3)cc2)cc1 409203092 UOADPHLKUWLTNO-QFEZKATASA-N 416.437 2.949 50 40 HFGB COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(C)n(C[C@@H]4CCCO4)c(=O)c32)c1 5055136 KAURVYCJBLSHTP-YWZLYKJASA-N 423.469 2.571 50 40 HFGB O=C(/C=C/c1ccc(Cl)cc1)NNC(=O)CCN1CCN(c2ccccc2)CC1 5894654 IEDCFQBITBAQAJ-DHZHZOJOSA-N 412.921 2.713 50 40 HFGB N#Cc1ccccc1Sc1ccccc1C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1Cl 6863687 MQPVWVQAQHPUBN-LSDHHAIUSA-N 406.916 2.844 50 40 HFGB CC1=C(C#N)C(=O)N(CCN2CCOCC2)C(=O)/C1=C\Nc1ccc(C(C)C)cc1 9423035 CMCXFEZYDZBYAE-QNGOZBTKSA-N 408.502 2.647 50 40 HFGB O=C(NNC(=O)c1ccc[nH]c1=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1 24778717 QTBRUZHANQYFTD-UHFFFAOYSA-N 419.466 2.618 50 40 HFGB O=C(COc1ccccc1C(=O)N/N=C/c1ccccc1)N/N=C\c1ccccc1 32121722 RPCMCAKBNDFXSM-QTCLYGBFSA-N 400.438 2.980 50 40 HFGB Cc1ccnc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)c1 245230483 SMKAHUWIHPYMHD-RFCWUQKJSA-N 414.097 2.672 50 40 HFGB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C/c3cccnc3)cc2)cc1 409121010 XRFWLGDBYZUMLG-HZHRSRAPSA-N 408.483 2.979 50 40 HFGB O=C(CNC(=O)c1cccs1)N/N=C1\C(=O)N(Cc2ccccc2)c2ccccc21 2280671 MRJPNCJTBJIFHI-QQTULTPQSA-N 418.478 2.545 50 40 HFGB O=C(NNC(=S)NC[C@@H]1CCCO1)c1ccc(COc2ccc(Cl)cc2)o1 2793297 YQOBCIVAXXJQSA-AWEZNQCLSA-N 409.895 2.800 50 40 HFGB CN1C[C@H](NC(=O)N(CCCl)N=O)C[C@H]2c3cccc4c3c(cn4N=O)C[C@@H]21 5438054 ISRQLVHMEKVSNP-INWMFGNUSA-N 404.858 2.815 50 40 HFGB COC(=O)Cn1cc(/C=N\NC(=O)COc2cccc3cccnc23)c2ccccc21 12364140 YMWPUFARMXBPQC-ROTLSHHCSA-N 416.437 2.892 50 40 HFGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccc(Cl)c(Cl)c2)cc1OC 59459574 FDUSVTZURHUZMB-FOKLQQMPSA-N 424.284 2.820 50 40 HFGB COc1ccc(C(=O)N/N=C2\C(=O)N(CN3CCCCC3)c3ccccc32)cc1OC 95202402 DGVAFCMNEIXGRZ-FLFQWRMESA-N 422.485 2.628 50 40 HFGB CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)NCCc2ccccc2)cc1OC 408802851 IFHFDDOQTRVMLG-CPNJWEJPSA-N 408.454 2.903 50 40 HFGB Cc1c(C(=O)N/N=C/c2cc(Br)c(O)cc2O)sc2ncnc(N)c12 408972552 DRODRABYQLZTEH-LRNAUUFOSA-N 422.264 2.520 50 40 HFGB N#Cc1ccc(/C=N/NC(=O)CNc2ccc(I)cc2)cc1 409253775 GTMRMQZXSDZZHA-KEBDBYFISA-N 404.211 2.725 50 40 HFGB N#C/C(=C\c1ccc(N(CCBr)CCBr)cc1)C(N)=O 2036241 IWRUKTCHUSSIEY-FMIVXFBMSA-N 401.102 2.675 50 40 HFGB O=C(NNC(=S)NC[C@H]1CCCO1)c1ccc(COc2ccc(Cl)cc2)o1 2793296 YQOBCIVAXXJQSA-CQSZACIVSA-N 409.895 2.800 50 40 HFGB O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 4179606 PJGFXTJRXWZCLQ-CIAFOILYSA-N 418.837 2.614 50 40 HFGB CCCNC(=O)/C(C#N)=C1\N=C(NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 5272701 TVLYIZMPDFMDOO-ZCXUNETKSA-N 403.398 2.546 50 40 HFGB O=C(CCC(=O)OCC(=O)Nc1cccc2ccccc12)NNC(=O)c1ccccc1 7939969 RMLIUBSJSCAUDT-UHFFFAOYSA-N 419.437 2.563 50 40 HFGB O=C(N/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)c1ccc(Br)cc1 49116173 FHRXWJCLGRXUOV-FRKPEAEDSA-N 409.152 2.735 50 40 HFGB C/C(=N\NC(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O)c1ccccc1O 408772495 MCQBSWPRFIXVKS-DEDYPNTBSA-N 409.895 2.660 50 40 HFGB COc1ccc(NC(=S)NNC(=O)COc2cccc3c2OC(C)(C)C3)cc1 643598 ZRWXCSDWWYBWOQ-UHFFFAOYSA-N 401.488 2.805 50 40 HFGB O=C(Cn1nnc(-c2ccccc2Cl)n1)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 705735 UXKQWHXQACOGRS-UFWORHAWSA-N 420.216 2.705 50 40 HFGB COCCNC(=O)/C(C#N)=C/c1c(Oc2ccccc2C)nc2c(C)cccn2c1=O 4205706 RBDXDDHYMWRVJB-GHRIWEEISA-N 418.453 2.773 50 40 HFGB COc1ccc2c(c1OC)C(=O)O[C@H]2NNC(=O)c1ccccc1Br 5375463 KXQUHIZVGWLZGH-MRXNPFEDSA-N 407.220 2.570 50 40 HFGB O=C(NNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1cc2c(s1)CCC2 7379783 OBDVYKPNJZCDNK-UHFFFAOYSA-N 406.407 2.759 50 40 HFGB C[C@H]1C(C#N)=C(SCC(=O)Nc2ccc(Br)cc2)NC(=O)[C@@H]1C#N 8973517 YWVULHSUJRJAKQ-BXKDBHETSA-N 405.277 2.762 50 40 HFGB Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)NNC(=O)c1ccoc1C 40140389 NKQFJJJPVPOIBA-UHFFFAOYSA-N 421.379 2.808 50 40 HFGB Cc1ccc(C(=O)NN[C@H](CNS(=O)(=O)c2ccccc2)c2ccccc2)cc1 6785238 BZQOCZGEZIUJGX-OAQYLSRUSA-N 409.511 2.949 50 40 HFGB O=C(NNS(=O)(=O)c1ccccc1Br)c1cc2c(s1)CCC2 7379771 MZZCQEUEWLOKKC-UHFFFAOYSA-N 401.307 2.623 50 40 HFGB CCOc1ncccc1C(=O)NNC(=O)COc1ccccc1Cc1ccccc1 14160815 RBJCDNSWEXFEMK-UHFFFAOYSA-N 405.454 2.911 50 40 HFGB CCCCN1C(=O)/C(=N\NC(=O)c2cc(C)n[nH]2)c2cc(Br)ccc21 18122143 VJFYTSLDUIGPEQ-QNGOZBTKSA-N 404.268 2.761 50 40 HFGB COc1cc(/C=N\NC(=O)COc2ccc(Br)cc2C#N)ccc1O 30791428 NAHBVAQOXKLOHR-UKWGHVSLSA-N 404.220 2.564 50 40 HFGB COc1ccccc1NC(=O)C(=O)N/N=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 58914646 MECACPPXPAXGEN-MTJSOVHGSA-N 408.370 2.952 50 40 HFGB COC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)n2nc(C)cc2C)cc1OC 409380194 KAAJICQPNUYOOT-MKMNVTDBSA-N 403.822 2.961 50 40 HFGB COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccco4)c(=O)c32)cc1 2341691 KVCNBTTZJSAUNL-IBGZPJMESA-N 417.421 2.803 50 40 HFGB O=C(CNC(=O)c1ccco1)N/N=C/c1ccc(OC(=O)c2cccc(F)c2)cc1 3116217 PCUUUESAWRNZHD-WYMPLXKRSA-N 409.373 2.518 50 40 HFGB COC(=O)COc1ccc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc1 8812588 CUVCHYKVKXKJDY-KEBDBYFISA-N 421.247 2.773 50 40 HFGB Nc1nonc1-n1nnc(C(=O)N/N=C/[C@@H]2CC=CCC2)c1CSc1ccccc1 9424956 OKENHGZCCKZUFV-SRRANQMSSA-N 424.490 2.597 50 40 HFGB O=C(NNC(=O)c1cccc(NC(=O)c2ccc3c(c2)OCO3)c1)c1ccccc1 10040415 QPSBSQKVLSOVGL-UHFFFAOYSA-N 403.394 2.742 50 40 HFGB CCn1c(NNC(=O)c2c[nH]nc2-c2ccc(OC)cc2)nc2ccccc2c1=O 10895374 AYOSSDXTAFABFI-UHFFFAOYSA-N 404.430 2.572 50 40 HFGB COc1ccc(N(CC(=O)NN=C2CCCCCCC2)S(C)(=O)=O)c(OC)c1 20210835 IHTRJVBWYZHVAN-UHFFFAOYSA-N 411.524 2.686 50 40 HFGB C=CCOc1c(/C=N\NC(=O)c2cccc(NC(C)=O)c2)cc([N+](=O)[O-])cc1OC 33586400 OXKPOIIQDPBAKS-MTJSOVHGSA-N 412.402 2.891 50 40 HFGB Cc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(Br)c([N+](=O)[O-])c2)cc1 2177542 YWFUGKQAFSODEE-AWQFTUOYSA-N 419.235 2.546 50 40 HFGB COCCCNC(=O)/C(C#N)=C/c1c(Oc2ccc(C)cc2)nc2ccccn2c1=O 4205361 MNWWDFAYYTUPID-SAPNQHFASA-N 418.453 2.855 50 40 HFGB CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)[C@@H](C)CC)cc2)cc1 12507926 SWZIYPSGUUWDLT-AWEZNQCLSA-N 419.503 2.693 50 40 HFGB O=C1[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C(=O)N1c1ccc(O)cc1 100548192 KKPZIIQFEYLENP-IWDIQUIJSA-N 403.070 2.819 50 40 HFGB O=C(CCl)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1C(F)(F)F 101308595 WRKUVEZEOVALTC-SPJZNXQJSA-N 412.842 2.546 50 40 HFGB CCOc1ccc(/C=N/NC(=O)c2ccc(CSc3nncn3C)cc2)c(O)c1 3238442 IFQMOGJPNXFCSP-SRZZPIQSSA-N 411.487 2.976 50 40 HFGB N#C/C(C(=O)NCc1ccccc1)=C1/N=C(NC(=O)c2cccnc2)c2ccccc21 5303329 CPTDAUUZJFGTBG-MRCUWXFGSA-N 407.433 2.823 50 40 HFGB O=C(COC(=O)c1ncc(Cl)c(Cl)c1Cl)NNC(=O)c1cccs1 9642718 ZHNCASRJAQYNOZ-UHFFFAOYSA-N 408.650 2.721 50 40 HFGB CN(CC(=O)N/N=C/c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 16187043 YEXMBWYWMAHUPV-VXLYETTFSA-N 400.287 2.764 50 40 HFGB CC[C@@H](C)C(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 22415272 OWZYMLPNKNOCGB-GFCCVEGCSA-N 409.895 2.948 50 40 HFGB O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1cc(=O)[nH]c2ccc(Br)cc12 28629031 OKPDJDZXECZIHV-DJKKODMXSA-N 415.203 2.963 50 40 HFGB O=C(NN[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O)c1ccccc1Cl 100572003 ZGGWABDEKUMXAB-CQSZACIVSA-N 422.666 2.669 50 40 HFGB CC(C)OC(=O)c1ccc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)cc1 408686674 NLYODNBOZSEBPZ-JQOWZUPLSA-N 422.275 2.761 50 40 HFGB N#CCC(=O)N/N=C(/C[C@@]1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccco1 5808972 MNZABRQENXPLLL-SXOHWRJOSA-N 407.213 2.550 50 40 HFGB COc1ccc(OCC(=O)N/N=C(\C)CC(=O)Nc2ccc(OC)cc2OC)cc1 100522968 PLZYAYRRTHBXJU-OEAKJJBVSA-N 415.446 2.612 50 40 HFGB O=C(NNc1c(F)c(F)cc(F)c1F)c1ccc(S(=O)(=O)N2CCCC2)cc1 2650792 IAIKOSGYYDVJRW-UHFFFAOYSA-N 417.384 2.784 50 40 HFGB Cc1nn(-c2ccccc2)c(Cl)c1/C=N\NC(=O)Cn1nnc(-c2ccccc2)n1 12372221 KHVIQGITAMSIQM-UUYOSTAYSA-N 420.864 2.638 50 40 HFGB CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)N/N=C/c2cccnc2)cc1 20232696 RXOSKVXTORWOCI-HZHRSRAPSA-N 408.483 2.812 50 40 HFGB CNC(=O)C(=O)N/N=C/c1cccc(OC)c1OCc1c(Cl)cccc1Cl 408607842 FFFLELYZSVBNLN-LSFURLLWSA-N 410.257 2.777 50 40 HFGB CN1CCC(=NNC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)CC1 408833843 VQBMXZCOYKUEKJ-UHFFFAOYSA-N 419.573 2.816 50 40 HFGB CC(C)c1ccc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 409026189 IJQLLXKTMRRKEB-UDWIEESQSA-N 418.475 2.635 50 40 HFGB Cc1cc(/C=C(/C#N)C(=O)NC2CCCC2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 409195839 WGNOIXADXOQXEP-ATVHPVEESA-N 412.515 2.707 50 40 HFGB Cc1ccc(C)c(OCC(=O)N/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)c1C 67196995 LAJFHWRLZWDBES-UFWORHAWSA-N 402.363 2.663 50 40 HFGB CCS(=O)(=O)[C@@H](I)[C@@H](O)c1ccc(Br)cc1 96519235 WXAFQPBGYIGPHD-VHSXEESVSA-N 419.078 2.678 50 40 HFGB O=C(CCC(=O)Nc1ccccc1Cl)NNS(=O)(=O)c1ccc(Cl)cc1 2134202 MOJJHGWZSWXWRB-UHFFFAOYSA-N 416.286 2.722 50 40 HFGB Cc1ccc(NC(=O)COCC(=O)NNC(=O)c2cc3ccccc3[nH]2)cc1Cl 4681880 QJGLTFPRVDMZSN-UHFFFAOYSA-N 414.849 2.546 50 40 HFGB CCOc1ccccc1N1C[C@H](C(=O)NNC(=O)c2ccc(Cl)cc2)CC1=O 6430691 KQEQAJTYIRQRLJ-CQSZACIVSA-N 401.850 2.553 50 40 HFGB O=C(Cc1c[nH]c2ccccc12)NNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 9954546 NNCVZGLFPJYJBF-UHFFFAOYSA-N 422.460 2.549 50 40 HFGB Cc1ccc(C(=O)NNC(=O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 12527710 OFMSCHVCNCJXIA-UHFFFAOYSA-N 420.435 2.597 50 40 HFGB O=C(N/N=C/c1cc(Br)c(O)c(Br)c1O)c1ccco1 40899040 BVJKNBGHEVZVFQ-PJQLUOCWSA-N 404.014 2.980 50 40 HFGB Cc1cc(C(=O)OCC(=O)NNC(=O)c2cccs2)c(C)n1-c1ccc(F)cc1 6044030 ORPBIBSQYQJRFB-UHFFFAOYSA-N 415.446 2.913 50 40 HFGB COc1cc(C(=O)NN/C(C)=C2\C(=O)N(c3ccccc3)N=C2C)cc(OC)c1OC 103916705 PKMPGBWMYMCTMY-UYRXBGFRSA-N 424.457 2.644 50 40 HFGB C#CCOc1c(/C=C(\C#N)C(=O)NCCCOC)cc(Br)cc1OC 408813277 PAIAWGSKGGPJGB-NTEUORMPSA-N 407.264 2.529 50 40 HFGB COc1ccc(NC(=O)/C(C#N)=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 408995373 BWAQOVHTLZGTTD-FOWTUZBSSA-N 408.414 2.986 50 40 HFGB CCc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)N[C@@H](C)CC)cc2)cc1 409261786 BGWLRORQCHUGAL-GCMSVZMUSA-N 424.501 2.631 50 40 HFGB COc1ccc(/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])cc1Br 1429348 KEDKJZVSWIESLS-GIJQJNRQSA-N 408.208 2.895 50 40 HFGB COc1cc(OC)cc(C(=O)N/N=C\c2c[nH]nc2-c2ccc(OC)c(OC)c2)c1 5634386 DNDIWBUVKIHRAJ-FMCGGJTJSA-N 410.430 2.875 50 40 HFGB O=C(Cl)[C@@H]1CC(=O)N(c2ccc(N3CCN(C(=O)c4ccccc4)CC3)cc2)C1 45957363 WFORIFBVRQGSNY-QGZVFWFLSA-N 411.889 2.767 50 40 HFGB COc1ccc(Cl)cc1C(=O)NN[C@@H]1CC(=O)N(Cc2ccc(Cl)cc2)C1=O 101883358 HYKREYYJOYEFRS-OAHLLOKOSA-N 422.268 2.564 50 40 HFGB O=C(N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1)c1cccc([N+](=O)[O-])c1 409184603 HDYDXEVIHZARAW-HYARGMPZSA-N 410.430 2.750 50 40 HFGB CN(CC(=O)N/N=C/c1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl 6544588 PQXUWKQGKMNJRT-VXLYETTFSA-N 400.287 2.764 50 40 HFGB CCCOC(=O)CSC1=C(C#N)[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)OC)C(=O)N1 9330788 IVWHWCQKBPMUGP-JKSUJKDBSA-N 422.890 2.764 50 40 HFGB COc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)cc(Cl)c1OCC(N)=O 12817016 IZKOFNKYOMSLRH-CXZOQJFISA-N 405.882 2.815 50 40 HFGB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NNC(=O)c1cc2c(s1)CCCCC2 12994594 MOOOQEDIGVXRMF-UHFFFAOYSA-N 409.489 2.857 50 40 HFGB C=CCc1cccc(/C=N/NC(=O)CN2CCN(Cc3ccc(C)cc3)CC2)c1O 19826473 LJVVVFLTXKEVCD-PCLIKHOPSA-N 406.530 2.697 50 40 HFGB O=C(N/N=C1\C(=O)N(CCOc2ccccc2)c2ccccc21)c1ccccc1O 102433627 XGBMMYUTOSRTMS-FLFQWRMESA-N 401.422 2.952 50 40 HFGB CCOC(=O)COc1c(Br)cc(/C=N/NC(C)=O)cc1Br 409009499 ANPKHLVMMPDLQC-OMCISZLKSA-N 422.073 2.624 50 40 HFGB CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)N/N=C/c2ccccn2)cc1 854578 SELBPLVEKQUGCL-HZHRSRAPSA-N 408.483 2.812 50 40 HFGB CCCn1nc(C(=O)NNc2ccc(Cl)c(C(=O)O)c2)c2ccccc2c1=O 3427040 ANNLJFMNSASSSP-UHFFFAOYSA-N 400.822 2.915 50 40 HFGB Cc1cccc(-c2nnc(S)n2CC(=O)NNC(=O)c2cc3c(s2)CCC3)c1 17446028 ZRTDZBXMMRHNJS-UHFFFAOYSA-N 413.528 2.554 50 40 HFGB COc1cc([C@@H]2[C@@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)ccc1OC(C)C 20026652 VDVBWVDRBZPWKZ-WIYYLYMNSA-N 403.486 2.838 50 40 HFGB Cn1ccnc1COc1ccc(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 40119753 GNEWUZCZMYPBBO-UHFFFAOYSA-N 408.502 2.977 50 40 HFGB COc1ccc(/C=N/NC(=O)C2CCN(C(=O)c3ccccc3C)CC2)cc1[N+](=O)[O-] 409007844 ZPRGLRKTANHYFA-OEAKJJBVSA-N 424.457 2.914 50 40 HFGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2)cc(Br)c1O 409152332 FACDLLDOIRKJIN-KEBDBYFISA-N 420.263 2.951 50 40 HFGB O=C(NN[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O)c1ccccc1Br 971723 BQNOJMCGNFGAFP-CQSZACIVSA-N 422.666 2.669 50 40 HFGB O=C(NN[C@H](CNS(=O)(=O)c1ccccc1)c1ccccc1)c1ccc(F)cc1 6550995 JICTUCJOLGFRPL-HXUWFJFHSA-N 413.474 2.780 50 40 HFGB N#C/C(=C\c1ccccc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 7779049 MQMDFWPFGFGLHR-DTQAZKPQSA-N 405.439 2.823 50 40 HFGB N#CCC(=O)NN/C=C1\C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)c2ccccc21 9580531 BPCWPICPXAMIJK-WJDWOHSUSA-N 414.343 2.768 50 40 HFGB Cc1nn(-c2ccccc2)c(O)c1/C=N\NC(=O)c1cncc(Br)c1 13598648 ZMYHGRZMWNWWCJ-JMIUGGIZSA-N 400.236 2.808 50 40 HFGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(/C#N)C(N)=S)cc2)cc1[N+](=O)[O-] 408542314 ILLRZLKVWGQEPT-JYRVWZFOSA-N 403.441 2.864 50 40 HFGB Cc1c(C(=O)NN=Cc2cc3c(cc2Br)OCO3)sc(N)c1C#N 408729960 LVIBHAKWQCUYEN-UHFFFAOYSA-N 407.249 2.766 50 40 HFGB O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)N/N=C/c1ccco1 408788895 GGCOXJDDRCQYKP-FYJGNVAPSA-N 401.419 2.764 50 40 HFGB CN1c2ccsc2/C(=N/NC(=O)c2cccc(C(F)(F)F)c2)CS1(=O)=O 1386828 KKARYBOEFGZMRS-YBFXNURJSA-N 403.407 2.681 50 40 HFGB CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N/N=C/c1ccc([N+](=O)[O-])o1 5727400 BWMRMWHUJMLTKZ-MPUARHCJSA-N 416.478 2.995 50 40 HFGB O=C(N/N=C/c1cccc(O)c1O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 6928953 IDPAXKANWMCTPS-ZMOGYAJESA-N 414.421 2.620 50 40 HFGB C/C(=N\NC(=O)[C@@H](c1ccncc1)N1CCOCC1)c1ccc(Br)cc1 20057326 UMKJFMQKFRRBBY-SDLXJUDFSA-N 417.307 2.758 50 40 HFGB COC(=O)c1ccc(C(=O)OC)c(N/C=C(\C#N)S(=O)(=O)c2ccccc2)c1 44842246 NOLAGVBHAWTRPW-NTCAYCPXSA-N 400.412 2.511 50 40 HFGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=C(/C#N)C(=O)NCC(C)C)o2)cc1C 408833117 VQFMYECHHPSZRO-YVLHZVERSA-N 422.485 2.831 50 40 HFGB COc1cc(OC)c(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)cc1Br 409049533 WCZNXWMYVLOGRM-AWQFTUOYSA-N 421.247 2.888 50 40 HFGB C=CCOc1cccc(/C=N/NC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)c1 2085089 XJWILQWJKFRQEE-GXPOEHQZSA-N 401.488 2.556 50 40 HFGB O=C(NNC(=O)c1ccccc1C(F)(F)F)c1ccc(=O)n(Cc2ccccc2)c1 23109445 ZVRPOUGIYNUNSL-UHFFFAOYSA-N 415.371 2.990 50 40 HFGB CN(C)c1ccc(/C=N\NC(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)cc1 33572507 VTSHOKLEBGDUDI-HAHDFKILSA-N 424.526 2.677 50 40 HFGB CN(C)c1ccc(/C=N/NC(=O)CCCC(=O)N/N=C/c2ccc(N(C)C)cc2)cc1 1691814 RAQKZWFGLAHGNY-MUPYBJATSA-N 422.533 2.589 50 40 HFGB Cc1ccccc1OCCOc1ccc(/C=N/NC(=O)Cc2nnc(N)s2)cc1 4675173 VQLYEGBYFQFVGO-LPYMAVHISA-N 411.487 2.579 50 40 HFGB COC(=O)c1ccc(/C=N\NC(=O)c2c(C)nc3ccc(Br)cn23)cc1 59435504 HXAGULCXFXDHNC-UKWGHVSLSA-N 415.247 2.956 50 40 HFGB COCCn1c(C)cc2c(c1=O)[C@H](c1cccc(Br)c1)C(C#N)=C(N)O2 2327864 NUIZXXORFWSXNV-MRXNPFEDSA-N 416.275 2.784 50 40 HFGB COc1cc(C)ccc1C(=O)N/N=C/c1cc(Br)c(N2CCOCC2)o1 59302164 IPVPRVRMKDGWEG-RGVLZGJSSA-N 422.279 2.960 50 40 HFGB NC(=S)NNC(=O)/C=C/c1cc(Br)ccc1OCc1ccccc1 62715226 PSFFKQWPCQJEOD-RMKNXTFCSA-N 406.305 2.906 50 40 HFGB CCN(CC)C(=O)COc1ccc(/C=N/NC(=O)Cc2cccs2)cc1OC 409201850 QMCCSWDDQJTMRY-FYJGNVAPSA-N 403.504 2.697 50 40 HFGB CSc1ccc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 20208786 LWWDBELPNISACQ-UDWIEESQSA-N 405.545 2.942 50 40 HFGB O=C(COc1ccc(/C=N/NC(=O)c2ccccc2Cl)cc1)NC[C@@H]1CCCO1 28215339 UIAHWOISVYUVSK-KZKMUKRCSA-N 415.877 2.778 50 40 HFGB NC(=O)C[C@@H](NC(=O)Oc1ccccc1)C(=O)NN(c1ccccc1)c1ccccc1 409004435 XCIVXHWCVRVJAG-HXUWFJFHSA-N 418.453 2.889 50 40 HFGB Cc1cc(O)cc(O)c1/C=N/NC(=O)COc1ccc([N+](=O)[O-])cc1Br 918830 QTCMRBJVDOFVMK-CNHKJKLMSA-N 424.207 2.606 50 40 HFGB CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NNC(=O)Nc1ccccc1 8828858 IMJAFJLGXSTKEU-UHFFFAOYSA-N 407.452 2.774 50 40 HFGB CCC(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 12536134 BCFNILJJAQCOQC-UHFFFAOYSA-N 415.393 2.677 50 40 HFGB Cc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)cc1 16291533 OKVRURHZLIDTAE-YBFXNURJSA-N 424.320 2.528 50 40 HFGB COc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)cc(Br)c1OCC#N 34910284 YFJIZEMQPDBWQA-GUNGLEHYSA-N 420.263 2.562 50 40 HFGB C[C@@H](OC(=O)/C(C#N)=C\c1ccc(N(C)C)cc1)C(=O)NCc1ccc2c(c1)OCO2 96504751 COSJPAQLQKYMQX-YQYFLZKSSA-N 421.453 2.636 50 40 HFGB CCc1cccc(CC)c1N1/C(=N\C(=O)CCl)S[C@H]2CS(=O)(=O)C[C@H]21 101317212 BEWTUNSUZCQTMT-OFGXNVERSA-N 400.953 2.652 50 40 HFGB COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(/C)NNC(=O)C2CC2)cc1 112287559 TVKMTCOTPIGFJX-UYRXBGFRSA-N 408.433 2.890 50 40 HFGB CN(C)c1cccc(C(=O)N/N=C/c2cc(Br)c(N3CCOCC3)o2)c1 408854962 LFXSOZWZXRXQKN-UDWIEESQSA-N 421.295 2.709 50 40 HFGB COc1ccc(OCC(=O)N/N=C\c2ccc(OCC(=O)OC(C)C)cc2)cc1 409188050 WOTLBGPWWJLQEJ-UUYOSTAYSA-N 400.431 2.555 50 40 HFGB Cc1cc(C)nc(NNC(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)c2)n1 32889343 BCBVKXBTXOPPCZ-KBPBESRZSA-N 417.535 2.517 50 40 HFGB CN(C)N(C(=O)CCCOc1ccc(Cl)cc1Cl)[C@H]1CCS(=O)(=O)C1 58117551 QNJGXKFFALTDOA-ZDUSSCGKSA-N 409.335 2.645 50 40 HFGB CC1=CC(=O)[C@@H](Br)[C@H](Br)/C1=N/S(=O)(=O)c1ccccc1 101051773 HSRUWLRUPQEIPE-KBUSKATCSA-N 421.110 2.872 50 40 HFGB CCc1cccc(CC)c1N1/C(=N\C(=O)CCl)S[C@@H]2CS(=O)(=O)C[C@@H]21 101317219 BEWTUNSUZCQTMT-OTSFIGDKSA-N 400.953 2.652 50 40 HFGB CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(F)c(Br)c3)[C@@H]2C1 102566469 NWFFSTCEUOZPMC-RHSMWYFYSA-N 412.266 2.943 50 40 HFGB COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1OCC#N 408746931 HZBJKEDGUIJLGX-YZSQISJMSA-N 415.449 2.984 50 40 HFGB CC1=CC(C)=C(C#N)C2=S=C(C(=O)CSc3nc(C)cc(C)c3C#N)C(=O)N12 1554503307 YHKREOVCHMFQOL-UHFFFAOYSA-N 408.508 2.867 50 40 HFGB N#CC1=C(N)N(c2cccnc2)C2=C(C(=O)CCC2)[C@]12C(=O)Nc1ccc(F)cc12 1424591 CBERWPCEGNTHSL-JOCHJYFZSA-N 401.401 2.632 50 40 HFGB CN(C)/C=C(\C#N)[C@](O)(NNc1ncc(C(F)(F)F)cc1Cl)C(F)(F)F 3048542 CNQXNNYQXLPEGM-LXSSAFMLSA-N 403.714 2.890 50 40 HFGB COc1ccc2nc(C)cc(SCC(=O)NNC(=O)COc3ccccc3)c2c1 4126735 CZKSZVBYPCBSHS-UHFFFAOYSA-N 411.483 2.870 50 40 HFGB C[C@]1(C(=O)NNC(=S)Nc2ccccc2)CC1(Br)Br 5394040 ZVNRUYKHBHUUMI-LLVKDONJSA-N 407.131 2.900 50 40 HFGB CSc1ccc(N2C[C@@H](C(=O)NNC(=O)c3cc4c(s3)CCC4)CC2=O)cc1 12985562 HOCAYCNCONEIHK-ZDUSSCGKSA-N 415.540 2.773 50 40 HFGB Cc1cccc(N(CC(=O)N/N=C/c2ccc(OC(C)C)cc2)S(C)(=O)=O)c1 20207742 PNWKTLJYAQQAGW-FYJGNVAPSA-N 403.504 2.699 50 40 HFGB NC(=O)Cn1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c2ccccc21 33665368 ZELUNMPSFMVZJF-LSFURLLWSA-N 405.370 2.545 50 40 HFGB O=C(CCl)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)cc1Cl 101308901 CRQDTLOVLYYAAO-HMILLTCMSA-N 413.735 2.834 50 40 HFGB COc1ccc(CCC(=O)Nc2ccccc2C(=O)OCC(=O)/C(C#N)=C(/C)N)cc1 104432851 QXZPVZWCWUTUJR-CYVLTUHYSA-N 421.453 2.749 50 40 HFGB O=C(Cc1nnc(NC(=O)C(Cl)Cl)s1)N/N=C/c1ccccc1Cl 408732159 SWFZUSKQBOYAIY-UBKPWBPPSA-N 406.682 2.627 50 40 HFGB COc1cc([N+](=O)[O-])cc2cc(C(=O)N/N=C/c3cc([N+](=O)[O-])ccc3O)oc12 409101913 BXEZOZRIUTVNQL-QGMBQPNBSA-N 400.303 2.727 50 40 HFGB COc1ccc(/C(C)=N/NC(=O)CNC(=O)Cc2ccc(Cl)cc2)c(OC)c1 5033649 UAQPXEOFOMXZQU-YDZHTSKRSA-N 403.866 2.556 50 40 HFGB Cc1ccc(OCC(=O)NNS(=O)(=O)c2ccc(Br)s2)cc1C 12802128 OHKPQHLAWXNCJZ-UHFFFAOYSA-N 419.322 2.516 50 40 HFGB O=C(NNc1cccc([N+](=O)[O-])c1)/C(=C\c1cccnc1)NC(=O)c1ccccc1 12971161 SINNXZVKMDJULT-XDHOZWIPSA-N 403.398 2.904 50 40 HFGB O=C(NNC(=O)c1nn(-c2ccccc2)c2c1CCCCC2)c1ccc2c(c1)OCO2 40140305 MMTDFXUUDQKJBD-UHFFFAOYSA-N 418.453 2.945 50 40 HFGB CCCNC(=O)C(=O)N/N=C/c1cc(Cl)c(OCc2ccccc2)c(OC)c1 408607144 BYIGXYSBSLGWEZ-FSJBWODESA-N 403.866 2.904 50 40 HFGB CCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1ccccc1F 408706700 CLKQODZXLUKMPS-UFFVCSGVSA-N 407.243 2.918 50 40 HFGB O=C1[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C(=O)N1c1ccccc1O 100537472 MTFVELSRMDRANT-BEXHAEOCSA-N 415.081 2.675 50 40 HFGB CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(C(=O)OC)cc3)[C@H]2C1 20840266 VWCCDYQISNWONT-VQTJNVASSA-N 401.470 2.609 50 40 HFGB COc1cc(OC)cc(C(=O)N/N=C(\C)CC(=O)Nc2cccc([N+](=O)[O-])c2)c1 105474256 OUEXTOLBRKFNOC-CIAFOILYSA-N 400.391 2.747 50 40 HFGB CC(=O)N1C[C@@H](C(=O)NNC(=O)c2cc3c(s2)CCCCC3)Oc2ccccc21 21970978 NLMVLBHPBUWLQR-KRWDZBQOSA-N 413.499 2.592 50 40 HFGB CCOc1ccc(/C=C(\C#N)C(=O)OCCN2C(=O)c3ccccc3C2=O)cc1OC 948352 DPPKEFHPSLYLMI-FOWTUZBSSA-N 420.421 2.840 50 40 HFGB CC[C@@H](C)C(=O)N(NC(=O)c1ccccc1)[C@H]1CC(=O)N(c2cccc(OC)c2)C1=O 96287351 KXVFCWPRLUEJEW-BEFAXECRSA-N 423.469 2.547 50 40 HFGB CCOc1ccc(N([C@H](C)C(=O)N/N=C/c2ccc(C)cc2)S(C)(=O)=O)cc1 408905936 BEUIORVWDFMGCA-ZFMLPXDISA-N 403.504 2.699 50 40 HFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(Cl)cc1Cl)c1ccccc1 19953954 UXLHVDKTTSJGMB-VXLYETTFSA-N 400.287 2.910 50 40 HFGB CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cc(OC)ccc3OC)[C@@H]2C1 803647 CRPJFFCFQDTCKF-CTNGQTDRSA-N 403.486 2.839 50 40 HFGB O=C(COc1cccc(Cl)c1)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1 4358670 FQXUJQNSBVKBKQ-CIAFOILYSA-N 418.837 2.614 50 40 HFGB CCOc1cc(/C=N\NC(=O)c2cccnc2)cc(I)c1O 33246671 YQSSQXHKAVUACY-LSCVHKIXSA-N 411.199 2.554 50 40 HFGB COC(=O)COc1ccc(/C=C(/C#N)C(=O)NC2CCCC2)cc1Br 409191308 VAHWLSKLSFOAAG-JYRVWZFOSA-N 407.264 2.967 50 40 HFGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2c(C)cccc2C)c1 409266479 ZFIREUYJKVXCNW-PDERCVKFSA-N 424.501 2.686 50 40 HFGB Cc1ccc(-n2c(SCC(=O)NN)nc3sc4c(c3c2=O)CCCC4)cc1 36724748 GBIPUGBTCPRKQL-UHFFFAOYSA-N 400.529 2.716 50 40 HFGB N[C@@H](Cc1ccc(O)cc1)C(=O)N/N=C\c1ccc(N(CCCl)CCCl)cc1 73061948 WBMLOIZUPQOBPX-QCYAWUEASA-N 423.344 2.696 50 40 HFGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccs1)c1ccc(Cl)c(Cl)c1 408908549 WGFLCNBCXYDPNT-CAOOACKPSA-N 406.316 2.971 50 40 HFGB CCCn1nc(C(=O)N/N=C/c2ccc(OC)c(OCC)c2)c2ccccc2c1=O 6652245 QMABMOAHOKAFMT-OEAKJJBVSA-N 408.458 2.978 50 40 HFGB O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)N/N=C\c1ccc(O)cc1 31783458 JYPDOVFPCRDSOG-KSEXSDGBSA-N 404.451 2.981 50 40 HFGB O=C(COc1ccc(/C=N/NC(=O)C(=O)N2CCCCCC2)cc1)Nc1ccccc1 58880681 MHRZCKJOQMYOEF-LFVJCYFKSA-N 422.485 2.557 50 40 HFGB C/C(=N\NC(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O)c1ccccc1 408774374 ZVFZRNLORHJUBA-CPNJWEJPSA-N 424.320 2.756 50 40 HFGB COc1ccc(CCNC(=O)CC(=O)N/N=C(\C)CCc2ccccc2)cc1OC 408974229 XTOGJNOQFDJKHK-KOEQRZSOSA-N 411.502 2.878 50 40 HFGB CO[C@@H](C(=O)NNC(=O)COc1ccc(C)cc1Br)c1ccccc1 5927123 SIUPPJRRFUIPEC-QGZVFWFLSA-N 407.264 2.671 50 40 HFGB C/C(=N\NC(=O)[C@H]1COc2ccccc2O1)c1ccc(I)cc1 20247062 DKIVCYXNMAPVGT-YDDPGSGASA-N 422.222 2.971 50 40 HFGB Cc1nn(-c2ccccc2)c(O)c1/C=N/NC(=O)c1cncc(Br)c1 100150537 ZMYHGRZMWNWWCJ-KEBDBYFISA-N 400.236 2.808 50 40 HFGB N#C/C(=C\c1cn(CC(=O)N2CCCCC2)c2ccccc12)C(=O)NC[C@@H]1CCCO1 111902702 XLWXPVQPSGKNPU-ZPBCLNFZSA-N 420.513 2.856 50 40 HFGB O=C(N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1)c1cccc2ccccc12 409015147 YUEWGUQRGXMMLD-PCLIKHOPSA-N 417.465 2.841 50 40 HFGB N#CC(C(=O)COC(=O)C[C@H]1Sc2ccccc2NC1=O)=C1Nc2ccccc2N1 3341259 NSDQPWZYXBFHKQ-GOSISDBHSA-N 420.450 2.875 50 40 HFGB O=C1Nc2ccccc2/C1=N\NC(=O)c1cc(-c2ccc(Br)s2)n[nH]1 13388190 LVSSFYFGCGBPEN-UHFFFAOYSA-N 416.260 2.987 50 40 HFGB Cc1ccc(C(=O)NNC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)s1 17518705 HCHFOSHVVUQXEX-UHFFFAOYSA-N 421.525 2.994 50 40 HFGB C/C(=N\NC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O)c1ccc([N+](=O)[O-])cc1 408782937 LHZBPWHEGXTVHF-XDHOZWIPSA-N 424.866 2.555 50 40 HFGB C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)NN=Cc4ccccc4O)c(=O)c23)C1 4367711 ZUQDELBMIPXOOG-CHWSQXEVSA-N 410.499 3.000 50 40 HFGB COC(=O)COc1ccc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1OC 7385151 DNCZQBSCFHAEFC-OEAKJJBVSA-N 411.458 2.611 50 40 HFGB O=C(NNc1ncc(C(F)(F)F)cc1Cl)NS(=O)(=O)c1ccc(F)cc1 1418771 IRVJZWRKCOQUMB-UHFFFAOYSA-N 412.752 2.908 50 40 HFGB CCc1nc2ccccc2n1CC(=O)NNC(=O)c1ccc(-n2nc(C)cc2C)cc1 6548007 GWRUOSHLJKUULT-UHFFFAOYSA-N 416.485 2.862 50 40 HFGB C/C(=N\NC(=O)CN(c1cccnc1)S(=O)(=O)c1ccccc1)c1ccccc1 408783376 OHYBSXPCFXOWPV-HAVVHWLPSA-N 408.483 2.817 50 40 HFGB C=CCOc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 409184043 DWRGCHLOQMJOMB-FYJGNVAPSA-N 421.906 2.821 50 40 HFGB CCOC(=O)Cc1[nH]nc2c1[C@@H](c1cncc(-c3ccc(F)cc3)c1)C(C#N)=C(N)O2 1423728 UNYSRGFTVHJGSU-IBGZPJMESA-N 419.416 2.935 50 40 HFGB N#C/C(=C/c1ccc(N(CCBr)CCBr)cc1)C(N)=O 1627344 IWRUKTCHUSSIEY-XFXZXTDPSA-N 401.102 2.675 50 40 HFGB COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(C[C@@H]4CCCO4)c(=O)c32)c1OC 2249498 ZKAMUOLOYPLABX-LIRRHRJNSA-N 423.469 2.571 50 40 HFGB O=C(NC[C@H]1CCCO1)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1 4474241 SPFCWTMBYHCRHY-SZMVHAFZSA-N 415.877 2.664 50 40 HFGB COC(=O)c1ccsc1NC(=O)/C(C#N)=C\c1cc2c(cc1[N+](=O)[O-])OCO2 17082149 QBQQQJHRBRXARQ-WMZJFQQLSA-N 401.356 2.717 50 40 HFGB O=C(N/N=C\c1ccc(O)cc1)c1ccc(C(=O)N/N=C\c2ccc(O)cc2)cc1 36624817 ZKVPXTNXHCVFNI-GACBQCINSA-N 402.410 2.626 50 40 HFGB CCCCCC(=O)Nc1nnc(CC(=O)N/N=C/c2ccc(OCC)c(O)c2)s1 408730862 JPUAQFVPFUFNBR-UDWIEESQSA-N 419.507 2.854 50 40 HFGB COc1ccccc1OCC(=O)N/N=C/c1ccc(OCC(=O)NC(C)(C)C)cc1 408995276 LRSFXKGGMSKYSN-YDZHTSKRSA-N 413.474 2.518 50 40 HFGB COc1ccc(/C=N/NC(=O)CN2C(=O)c3cccc4cccc2c34)cc1[N+](=O)[O-] 3350128 UYEYTJFPWKEOLZ-SSDVNMTOSA-N 404.382 2.867 50 40 HFGB Nc1nnc(CC(=O)N/N=C\c2ccc(-c3ccc(Br)cc3)o2)s1 5675966 MRHBGPXXORCANR-LSCVHKIXSA-N 406.265 2.836 50 40 HFGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1-c1ccccc1)c1cc(C)sc1C 9108975 MQXWBOUDZQDWOW-SRZZPIQSSA-N 422.474 2.732 50 40 HFGB C=CCOc1ccc([C@@H]2[C@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC 12292262 LGBWCQFWJNDJQO-GHTZIAJQSA-N 401.470 2.615 50 40 HFGB CC(C)NS(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)cc1 12913181 OZUIOVDFEGMVSP-UHFFFAOYSA-N 417.531 2.746 50 40 HFGB CCOc1cc(C(=O)NNC(=O)c2ccccc2O)cc(Br)c1OC 14333676 VMDVTCFGXBGMIV-UHFFFAOYSA-N 409.236 2.637 50 40 HFGB COc1cc([N+](=O)[O-])cc2cc(C(=O)NNC(=S)NCc3ccccc3)oc12 408585645 HQYUXPVXEFJJNE-UHFFFAOYSA-N 400.416 2.659 50 40 HFGB COc1ccc(OCC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c(Br)c1 1437641 KNSKGFLDGJBXRH-GIJQJNRQSA-N 408.208 2.895 50 40 HFGB CCOc1cc(/C=N/NC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)ccc1O 1469678 AMACFCSFSKUCAY-LPYMAVHISA-N 409.446 2.744 50 40 HFGB CCCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccccc1CC 6647966 RZPOQSOTGYIOLN-MFKUBSTISA-N 424.501 2.633 50 40 HFGB COc1cc(/C=N/NC(=O)c2cccs2)cc(I)c1O 8044595 TUZCRJRFCFQKRR-VIZOYTHASA-N 402.213 2.831 50 40 HFGB Cn1/c(=N\NC(=O)COc2ccc3c4c(c(=O)oc3c2)CCC4)sc2ccccc21 8642928 UCSMAFIAJICULZ-ZNTNEXAZSA-N 421.478 2.846 50 40 HFGB CC1(C)C(C#N)=C(SCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])NC(=O)[C@@H]1C#N 9255576 QQOALLPPNLSMAV-JTQLQIEISA-N 419.850 2.951 50 40 HFGB O=C(N/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)c1cccc(Br)c1 9668292 XHWFXMUVATWFPY-FRKPEAEDSA-N 409.152 2.735 50 40 HFGB N#CC1=C(SCC(=O)NC[C@H]2CCCO2)NC(=O)C[C@@H]1c1ccc(Cl)cc1 6495445 QWNIZNMAIHYKPL-HUUCEWRRSA-N 405.907 2.707 50 40 HFGB C#CCOc1ccc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OC 59333016 JLHOFBPHMIQHJS-SILNSSARSA-N 401.466 2.963 50 40 HFGB Cc1cc(C(=O)NNC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)c(C)o1 6508939 FIOSFEOJXBJBPB-UHFFFAOYSA-N 413.455 2.772 50 40 HFGB Cc1cc(Cl)ccc1OCC(=O)N/N=C\c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 67196986 NORAFWKLCPFDJN-WSVATBPTSA-N 408.754 2.700 50 40 HFGB O=C(NNC(=O)C1CCC1)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 12941030 DQSPGGUVJIQOJE-UHFFFAOYSA-N 407.879 2.702 50 40 HFGB COc1cc(OC)cc(C(=O)N2CCC(C(=O)N/N=C/c3ccccc3F)CC2)c1 1095096 QFLGKXUASQOKJJ-ZVHZXABRSA-N 413.449 2.845 50 40 HFGB Cn1c(CC(=O)NNC(=O)Cc2coc3cc4c(cc23)CCC4)nc2ccccc21 2627305 QNZRENWONPDHLY-UHFFFAOYSA-N 402.454 2.741 50 40 HFGB O=C(/C=C/c1ccc2c(c1)OCO2)NNC(=O)CSc1nc2ccccc2s1 15891807 PXBFJAJUWJGWPL-SOFGYWHQSA-N 413.480 2.978 50 40 HFGB O=C(Cc1ccccc1)NNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1 408997158 LHFFRSTVDVXMCR-UHFFFAOYSA-N 418.409 2.851 50 40 HFGB Cc1sc2ncnc(SCC(=O)NNC(=O)Cc3ccc(F)cc3)c2c1C 12912676 ADSJWPLCZHBSDA-UHFFFAOYSA-N 404.492 2.929 50 40 HFGB CNC(=O)/C(C#N)=C1/S[C@@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccccc1 13644985 LKXLREJISFDLCV-BJMRFWQKSA-N 408.439 2.767 50 40 HFGB O=C1[C@H]2[C@H](C(=O)N1c1ccccc1O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br 101139536 MTFVELSRMDRANT-BOKPKCGUSA-N 415.081 2.675 50 40 HFGB CCCOC(=O)c1ccc(NC(=O)[C@@H]2[C@@H]3C[C@@H]4[C@@H]2C(=O)O[C@@H]4[C@@H]3Br)cc1 101879464 AXHFZTHOZFICSC-FBRBKTQXSA-N 422.275 2.763 50 40 HFGB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NN=C3CCN(C)CC3)cc2)cc1 409128067 HJHNYTVVNVPGLK-UHFFFAOYSA-N 414.531 2.632 50 40 HFGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(C)C)cc2)S(C)(=O)=O)cc1 59503046 XYTDRGAPFFZERD-LPYMAVHISA-N 417.531 2.946 50 40 HFGB N#C/C=C(\c1ccccc1)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 72314602 DPXAXJBWYRVBIN-KEBDBYFISA-N 410.499 2.549 50 40 HFGB CCOCCOCCO[C@@]12C(=O)C(Cl)=C(Cl)C(=O)[C@]13[C@H]1C[C@@H]2[C@@H](Cl)[C@H]13 103835302 RKQLZICUXNCADK-TXJKNZIESA-N 409.693 2.509 50 40 HFGB COc1cc(C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2)cc(OC)c1OC 5726770 JKWXVUFUUYYHMT-UHFFFAOYSA-N 416.474 2.850 50 40 HFGB N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@]12C(=O)N1CCCc3cccc2c31 8559974 NYEPGUCRMWGGGZ-JBEBIEQOSA-N 413.433 2.935 50 40 HFGB C=CCc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc(OC)c1OCC(=O)O 59678932 OMCYBLPSUIFCIQ-SRZZPIQSSA-N 413.386 2.559 50 40 HFGB COc1cccc(/C=N/NC(=O)[C@@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)c1 408760987 BRPCDVWAYWFDDM-YRXLECQKSA-N 417.531 2.847 50 40 HFGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(OCC#N)c(OC)c1)c1ccccc1 409000761 FTYYQIILYOVIHK-WORIPGKHSA-N 424.457 2.925 50 40 HFGB CC[C@H]1CCc2nc(O)c(C(=O)NNc3nc4ccccc4c(=O)n3CC)cc2C1 1540614888 BPMNYXJMGHEZME-ZDUSSCGKSA-N 407.474 2.789 50 40 HFGB CN(C)C(=O)COc1cccc(C(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)c1 40140457 NZPROTSQORSYIT-UHFFFAOYSA-N 413.518 2.521 50 40 HFGB O=C(N/N=C/c1ccc(N2CCOCC2)cc1)C(O)(c1ccccc1)c1ccccc1 408913894 VWUDTQLBCXRBFH-LGUFXXKBSA-N 415.493 2.909 50 40 HFGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1C(C)C)c1ccc(CC(C)C)cc1 5097945 BTEZMOAGBQMVIM-LPYMAVHISA-N 410.482 2.708 50 40 HFGB C=CCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)c(OC)c1 6581209 XXPIFNPWKISYFY-FSJBWODESA-N 401.850 2.680 50 40 HFGB Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)CCNC(=O)c1ccccc1 6602189 NYJAWELJZVCJFI-UHFFFAOYSA-N 408.483 2.700 50 40 HFGB CCOC(=O)c1cc(C)n(CC(=O)NNC(=O)[C@H](C)Oc2cccc(C)c2C)c1C 18103574 KRJYNOQAJPKLSC-KRWDZBQOSA-N 415.490 2.513 50 40 HFGB N[C@@H](CSSC[C@H](N)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 35973960 XBFIAGBFSOUBNT-ROUUACIJSA-N 420.556 2.509 50 40 HFGB COc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)OC(C)C 408604141 SXQGBIYJWJXNMR-NHDPSOOVSA-N 415.402 2.698 50 40 HFGB COc1ccc(C)cc1N(CC(=O)N/N=C(\C)CCc1ccccc1)S(C)(=O)=O 408784374 QRLWVWRIAHZCPU-OQKWZONESA-N 417.531 2.895 50 40 HFGB Cc1cc(C)c(C)c(S(=O)(=O)NNC(=O)c2cc(Br)cn2C)c1C 12857007 XVTOWUXWWTXOBJ-UHFFFAOYSA-N 414.325 2.645 50 40 HFGB N#C/C(=C/c1cn(CC(=O)O)c2ccccc12)C(=O)N1CCN(c2ccccc2)CC1 59333205 YFCBYLITQVTKCU-JXAWBTAJSA-N 414.465 2.982 50 40 HFGB COc1cc(OC)cc(C(=O)N/N=C/c2cc(Br)c(O)c([N+](=O)[O-])c2)c1 109172417 SFTBKNMYEMYDRC-QGMBQPNBSA-N 424.207 2.844 50 40 HFGB O=C(CNc1ccc(Cl)cc1)N/N=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 408692762 UPDNGXIOTQEYPT-WSDLNYQXSA-N 417.853 2.647 50 40 HFGB COc1ccc(/C=N/NC(=O)COc2ccc(Br)cc2OC)c(O)c1 1444833 QARJBGACMQTHPR-DJKKODMXSA-N 409.236 2.701 50 40 HFGB O=C(Cn1cc(C(F)(F)F)ccc1=O)N/N=C/c1ccc(Br)cc1 5574101 XPDJSWZBNDZOSS-IFRROFPPSA-N 402.170 2.780 50 40 HFGB CCOc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)ccc1O[C@@H](C)C(=O)O 13546760 PUOZWBXXTUVIGY-DQAKUKQTSA-N 401.375 2.609 50 40 HFGB COc1ccc(N([C@H](C)C(=O)N/N=C(\C)CCc2ccccc2)S(C)(=O)=O)cc1 19953807 KJUOMKVWDGUZFX-FIOICXDGSA-N 417.531 2.975 50 40 HFGB CS(=O)(=O)N(CC(=O)N/N=C\c1c(O)ccc2ccccc12)C1CCCCC1 109243293 NSEPEUTWJLKLHU-BKUYFWCQSA-N 403.504 2.590 50 40 HFGB C/C(=N\NC(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 408780501 CMLKAZSOAMPILJ-HMMYKYKNSA-N 418.475 2.518 50 40 HFGB O=C(CCl)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(C(F)(F)F)c1 9266967 DZYHZFOADADYHW-AQIRGBNCSA-N 412.842 2.546 50 40 HFGB CCN(CC)c1ccc(/C=N/NC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)cc1 20060335 VAAWFYPHMWPWRI-PXLXIMEGSA-N 416.547 2.758 50 40 HFGB CC(C)(C)c1ccc(C(=O)NNC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)cc1 28998875 PZVQWGAKXNSVMB-HNNXBMFYSA-N 423.469 2.527 50 40 HFGB COc1cc(OC)c(OC)cc1/C=C(/C#N)C(=O)N1CCN(c2ccccc2)CC1 59333419 FZNCKQUSIQNTDJ-AQTBWJFISA-N 407.470 2.968 50 40 HFGB COc1ccccc1OCC(=O)N/N=C(\C)CC(=O)Nc1ccccc1NC(C)=O 100310692 YIRWWXJMYFJTDH-ZVHZXABRSA-N 412.446 2.553 50 40 HFGB CC[C@H](C)NC(=O)/C(C#N)=C/c1cc(Br)c(OCC(=O)O)c(OC)c1 408811757 WGSMLVUBQACGMD-YIVIPITNSA-N 411.252 2.743 50 40 HFGB O=C(O)COc1ccc(/C=N/NC(=O)COc2cccc3cccnc23)cc1Cl 408843969 GHBNSPFSVZTZTG-AUEPDCJTSA-N 413.817 2.881 50 40 HFGB COc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C/c3ccccn3)c2)cc1 3285477 LFAAJCXDLGLCHE-HYARGMPZSA-N 410.455 2.655 50 40 HFGB Cc1[nH]nc2c1[C@]1(C(=O)N(Cc3ccc(F)cc3)c3ccccc31)C(C#N)=C(N)O2 5197653 OMSUNKTUAWFXBQ-JOCHJYFZSA-N 401.401 2.776 50 40 HFGB COc1ccc(OC)c(NC(=O)C(=O)N/N=C/c2ccc(Br)cc2)c1 59434220 ZYRCQYUHIRVLPZ-VXLYETTFSA-N 406.236 2.555 50 40 HFGB C/C(N)=C(\C#N)C(=O)CSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1 104429648 LFLMAZHZBDMTGB-JORMNFRLSA-N 401.467 2.681 50 40 HFGB O=C(NC[C@@H]1CCCO1)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 408611260 QLNCRFCTKGTLAB-OGBFJMLUSA-N 415.877 2.664 50 40 HFGB COc1ccc(/C=N/NC(=O)C2CCN(C(=O)c3ccccc3)CC2)cc1[N+](=O)[O-] 409007160 UFPHLGGJZRIAJN-HYARGMPZSA-N 410.430 2.606 50 40 HFGB Cc1ccccc1-n1nc(C(=O)N/N=C\c2ccc(N(C)C)cc2)c(C)c(C#N)c1=O 409052307 COCGMRMYZIOBJV-QFEZKATASA-N 414.469 2.551 50 40 HFGB COc1cc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)cc(Br)c1OC 989927 IYOKCFSJSJKJHS-UGNSCYDZSA-N 421.247 2.756 50 40 HFGB O=C(Cc1nnc(NC(=O)Nc2ccccc2)s1)N/N=C/c1ccc2c(c1)OCO2 1920500 KYNDGUGULSBJMA-KEBDBYFISA-N 424.442 2.604 50 40 HFGB Cc1ccccc1C(=O)NNC(=O)CCN1C(=O)/C(=C\c2ccco2)SC1=S 5376079 JOJTTWBLRJNLQX-RVDMUPIBSA-N 415.496 2.641 50 40 HFGB COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)c2ccccc2C3=O)c(OC)c1OC 20728521 UFYIJSAWZVWIMH-MRXNPFEDSA-N 418.405 2.853 50 40 HFGB COc1cccc(C2=N[C@@](NC(=O)c3ccc(C)cc3)(C(Cl)Cl)C(=O)N2)c1 101434724 GSAFQPICCABIGY-LJQANCHMSA-N 406.269 2.810 50 40 HFGB COc1cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)cc([N+](=O)[O-])c1O 3527263 TYQNOOVHJOWODE-GZIVZEMBSA-N 412.324 2.890 50 40 HFGB N#C/C(=C/Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1nc2ccccc2o1 5338677 BHWMYYGVDFXHQJ-PFONDFGASA-N 410.455 2.825 50 40 HFGB Cc1ccccc1C(=O)NNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 6549602 UJDWCSKETOYWMA-UHFFFAOYSA-N 409.467 2.871 50 40 HFGB COc1ccc(C(=O)NNC(=S)NC(=O)c2cccc(C)c2)cc1Br 12289515 ZPDIGQPIJLNFBN-UHFFFAOYSA-N 422.304 2.715 50 40 HFGB Cc1c(C(=O)NNC(=O)Cc2ccccc2)cnn1-c1ccc(Br)cc1 12985274 RBCNSDNLPSLLLA-UHFFFAOYSA-N 413.275 2.947 50 40 HFGB C/C(CC(=O)Nc1ccc(I)cc1)=N\NC(=O)c1ccccn1 13563223 XIBVJLIDWHBTLV-RGVLZGJSSA-N 422.226 2.821 50 40 HFGB CCS(=O)(=O)[C@@H](I)C(=O)c1ccc(Br)cc1 96517944 ONSDFZJPYWXOKU-SNVBAGLBSA-N 417.062 2.828 50 40 HFGB COc1ccc(OCC(=O)N/N=C\c2ccccc2I)cc1 408551538 NBBMIOKJDIUABH-ZDLGFXPLSA-N 410.211 2.829 50 40 HFGB COc1cc2c(cc1/C=N\NC(=O)c1cc(Br)ccc1OC)OCO2 409066934 DRJUMPNEKCGHQS-UWVJOHFNSA-N 407.220 2.959 50 40 HFGB COc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(C)n(Cc3ccncc3)c(=O)c21 1471767 QXWMLXMLOGIXGC-FQEVSTJZSA-N 400.438 2.827 50 40 HFGB Cc1c(-c2ccc(/C=N/NC(=O)CSc3nncn3C)o2)cccc1[N+](=O)[O-] 2391399 LYRPXZCGGUIWQS-QGMBQPNBSA-N 400.420 2.534 50 40 HFGB C#CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1OC 4166979 AHBAYKKLFUXMGM-HNNXBMFYSA-N 415.247 2.719 50 40 HFGB COc1cc(/C=N/NC(N)=O)cc(Br)c1OCCOc1ccccc1 4196634 UWMHBUATVKUDGX-RGVLZGJSSA-N 408.252 2.918 50 40 HFGB Cc1ccc(CN2C[C@@H](C(=O)NNC(=O)c3ccccc3-n3cccc3)CC2=O)cc1 10037710 RRWGVXURQVBJRT-IBGZPJMESA-N 416.481 2.595 50 40 HFGB C#CCN1C(=O)[C@@]2(C(C#N)=C(N)N(c3cccnc3)C3=C2C(=O)CCC3)c2ccccc21 13567701 QMVPQZNLADBZRL-RUZDIDTESA-N 421.460 2.520 50 40 HFGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)NCc3ccncc3)c2C)c(C)c1 58912389 SZUBYDYGEVRQGM-VULFUBBASA-N 403.486 2.872 50 40 HFGB O=C(NC[C@@H]1CCCO1)C(=O)N/N=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1 59960699 KOGBNVLUHVDKBF-KHAGQWAKSA-N 410.257 2.999 50 40 HFGB Cn1cc(I)c(C(=O)Oc2ccc(C=C(C#N)C#N)cc2)n1 1060642 KQOXPXXALXKFLQ-UHFFFAOYSA-N 404.167 2.674 50 40 HFGB Cn1cnnc1SCc1ccc(C(=O)NNC(=O)c2cc3cc(F)ccc3[nH]2)cc1 13022499 ZUNFJKQYGKBQNW-UHFFFAOYSA-N 424.461 2.803 50 40 HFGB COc1ccc(CC(=O)NNC(=O)Cn2c(C)cc(-c3csc(C)n3)c2C)cc1 29389639 MIIBFFMQDXBLNG-UHFFFAOYSA-N 412.515 2.936 50 40 HFGB COc1cc(OC)cc(C(=O)N/N=C/c2ccc(I)o2)c1 33784944 RJKSTRNKRWTSFF-LZYBPNLTSA-N 400.172 2.665 50 40 HFGB O=C(NNC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1)c1ccccc1 72301426 XXNFVBMJDDUFCQ-KRWDZBQOSA-N 408.285 2.828 50 40 HFGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(CC)cc2)S(C)(=O)=O)cc1 409024842 IDJIKQYPQGIBQE-PXLXIMEGSA-N 415.515 2.730 50 40 HFGB CC[C@@H]1CCc2nc(O)c(C(=O)NNc3nc4ccccc4c(=O)n3CC)cc2C1 1540614887 BPMNYXJMGHEZME-CYBMUJFWSA-N 407.474 2.789 50 40 HFGB O=C(NNC(=O)[C@H]1CCCN(C(=O)c2cccs2)C1)c1ccccc1-n1cccc1 40058163 UFFLAELUIRKGDS-INIZCTEOSA-N 422.510 2.852 50 40 HFGB COc1cc(C(=O)N/N=C/c2ccc(N(C)C)o2)ccc1I 408747494 OTBVBVKGNPOXBB-RQZCQDPDSA-N 413.215 2.723 50 40 HFGB CCOC(=O)c1c(C)oc2ccc(OCC(=O)NNC(=O)c3ccc(F)cc3)cc12 1308047 QHRKISKGOPYSDB-UHFFFAOYSA-N 414.389 2.897 50 40 HFGB biogenic Cc1ccc(C(=O)NNC(=O)CCC(=O)NCc2ccccc2)cc1Br 2134857 VMAOTGVFBFTCDZ-UHFFFAOYSA-N 418.291 2.615 50 40 HFGB Cc1onc(-c2ccccc2)c1C(=O)NNC(=S)NC(=O)/C=C/c1ccccc1 5082602 LNZVIVRBCLFATO-OUKQBFOZSA-N 406.467 2.999 50 40 HFGB Cc1cccc(OCCCC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)c1 5199533 QWLHSTNVVNBFOG-UHFFFAOYSA-N 424.545 2.514 50 40 HFGB Cc1ccc(CN2C[C@@H](C(=O)NNC(=O)c3ccc(OC(C)C)cc3)CC2=O)cc1 9996250 HIWJRGJLBCVQNN-IBGZPJMESA-N 409.486 2.592 50 40 HFGB C[C@@H]1C[C@@H]1C(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 17520357 HGRDGERYUQDWHC-BZNIZROVSA-N 407.879 2.558 50 40 HFGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccc(C(F)(F)F)c1)c1ccc(F)cc1 20211790 LZCIRMQIEBDFLO-LSHDLFTRSA-N 417.384 2.761 50 40 HFGB C[C@@H](NC(=O)c1ccco1)C(=O)NNC(=O)c1ccc(-c2ccc(F)cc2)s1 25536785 YFVKDTBOIWRGPM-LLVKDONJSA-N 401.419 2.727 50 40 HFGB COc1ccc(N2C[C@@H](C(=O)NNC(=O)c3ccc(C(C)(C)C)cc3)CC2=O)cc1 28409333 OVSMODMHYSJBEE-INIZCTEOSA-N 409.486 2.807 50 40 HFGB CC[C@H](OC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br)C(=O)c1ccccc1 408681213 HJADJFQXCZEBFG-ZTFQOWAKSA-N 407.260 2.762 50 40 HFGB COc1ccccc1/C=N/NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 408855411 DCWLBBFKKOLDGD-RSZPVBOMSA-N 421.906 2.652 50 40 HFGB COc1ccc(C(=O)N2CCC(C(=O)N/N=C/c3cccc([N+](=O)[O-])c3)CC2)cc1 409007531 XOUJASJZYRKFRU-HYARGMPZSA-N 410.430 2.606 50 40 HFGB CCOc1c(Br)cc(/C=C(/C#N)C(=O)NC(N)=O)cc1Br 409243466 YWBRWSMZEWVNJO-BAQGIRSFSA-N 417.057 2.712 50 40 HFGB COc1ccc(Cl)cc1C(=O)NNC(=O)c1ccc(=O)n(Cc2ccccc2)c1 16839275 KOQYZKVZKCUYSM-UHFFFAOYSA-N 411.845 2.633 50 40 HFGB CCOc1cc(/C=N\NC(=O)CN2CCOCC2)ccc1OCc1cccc(C)c1 59246434 ZLVAKDFTZWGSLJ-IWIPYMOSSA-N 411.502 2.755 50 40 HFGB CC[C@H](C)C(=O)N(NC(=O)c1ccccc1)[C@H]1CC(=O)N(c2cccc(OC)c2)C1=O 96287352 KXVFCWPRLUEJEW-KXBFYZLASA-N 423.469 2.547 50 40 HFGB COc1ccc(Br)cc1/C=N/NC(=O)CNC(=O)/C=C/c1ccccc1 2277443 JQMZJYVOJMBTLY-SMVGYKGESA-N 416.275 2.737 50 40 HFGB COc1ccc(CC(=O)NNC(=O)CCC(=O)Nc2cccc(Cl)c2C)cc1 4523885 RAAGFHBXHAFYBV-UHFFFAOYSA-N 403.866 2.766 50 40 HFGB COc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)cc(Br)c1OCC#N 34910288 YFJIZEMQPDBWQA-WTWVRAIASA-N 420.263 2.562 50 40 HFGB CCOc1ccc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 408767816 PAAGQYPNEBIGQN-FYJGNVAPSA-N 403.504 2.618 50 40 HFGB O=C(N/N=C/c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1)c1ccco1 408776816 RPVNHHMSUSYHAB-VXLYETTFSA-N 407.835 2.768 50 40 HFGB CCOC(=O)Cc1[nH]nc2c1[C@H](c1ccc(OC(F)(F)F)cc1)C(C#N)=C(N)O2 663156 SZVXJZDQOGDPSP-CQSZACIVSA-N 408.336 2.632 50 40 HFGB Cc1ccc(C(=O)NNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)cc1 3409999 DAASSVWKROFGOX-UHFFFAOYSA-N 412.449 2.828 50 40 HFGB C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)COc1cccc(Br)c1 6277765 HZLBPYSNSVNTNX-LLVKDONJSA-N 411.227 2.582 50 40 HFGB Cc1ccc(NCC(=O)N/N=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)c(C)c1 6645911 UMQUZHKNMRRRST-QRVIBDJDSA-N 411.462 2.610 50 40 HFGB Cc1ccc(CN2C[C@H](C(=O)NNC(=O)c3ccccc3-n3cccc3)CC2=O)cc1 10037709 RRWGVXURQVBJRT-LJQANCHMSA-N 416.481 2.595 50 40 HFGB Cn1nc(C(=O)NNC(=O)c2ccccc2Cc2ccccc2)c2ccccc2c1=O 12807200 BTKWIGRSAZCBKW-UHFFFAOYSA-N 412.449 2.599 50 40 HFGB O=C(NNC(=O)c1csc(COc2ccc(F)cc2)n1)c1cccc([N+](=O)[O-])c1 12870867 RKVJWERLLDIGNQ-UHFFFAOYSA-N 416.390 2.844 50 40 HFGB COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2Br)c(OC)c1 59435819 KKFAGGFVOANQRA-VXLYETTFSA-N 406.236 2.555 50 40 HFGB C[C@]12Sc3[nH]c(=O)sc3[C@H](c3ccc(O)cc3)[C@@H]1[C@H]1C[C@H]2[C@H]2C(=O)OC(=O)[C@H]12 245228636 ADHPPXRKHNHSEK-JPGDGOPJSA-N 415.492 2.720 50 40 HFGB COc1cc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)c([N+](=O)[O-])cc1OC 409205198 GLFKPPSJGTXHTF-MKMNVTDBSA-N 411.370 2.564 50 40 HFGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)O)c(Cl)c2)cc1OC 409317372 PZMBSVFTZHOPGC-FBHDLOMBSA-N 406.822 2.975 50 40 HFGB Cc1ccc(C(=O)NNC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)o2)cc1 2072159 YQESHIPPJDCAOB-UHFFFAOYSA-N 413.415 2.507 50 40 HFGB CCOc1ccccc1N1C[C@@H](C(=O)NNC(=O)c2ccc(Cl)cc2)CC1=O 6430696 KQEQAJTYIRQRLJ-AWEZNQCLSA-N 401.850 2.553 50 40 HFGB O=C(NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)c1cc(C2CC2)[nH]n1 32776718 GDPWZHFPHZPFAB-UHFFFAOYSA-N 413.441 2.610 50 40 HFGB CO[C@@H]1[C@@H](OC(=O)NC(=O)CCl)CC[C@]2(CO2)[C@@H]1[C@@]1(C)O[C@@H]1CC=C(C)C 146985653 MSHZHSPISPJWHW-QHXHJIJASA-N 401.887 2.554 50 40 HFGB Cc1cccc(N2C[C@H](C(=O)NNC(=O)c3ccc(Br)cc3)CC2=O)c1 7882433 JHWJORZSKVXXPO-CQSZACIVSA-N 416.275 2.572 50 40 HFGB COc1cccc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)c1 8166665 UYMSIQDUPRZDSW-VPNURPJOSA-N 416.275 2.961 50 40 HFGB COc1ccc(CCC(=O)Nc2ccccc2C(=O)NNC(=O)c2cccnc2)cc1 11241073 RBTYDTQTSFHPDV-UHFFFAOYSA-N 418.453 2.736 50 40 HFGB COc1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)Cc3ccccc3)cc2)cc1 59421975 GCLIVXLDFXUHGR-UHFFFAOYSA-N 403.438 2.951 50 40 HFGB COCCNC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C 408876985 SFIQMXKWXXEZIN-LSHDLFTRSA-N 411.289 2.614 50 40 HFGB O=C(COc1ccccc1-c1ccccc1)NNC(=O)COc1ccccc1[N+](=O)[O-] 3339631 OZYZCEOLPZUPLL-UHFFFAOYSA-N 421.409 2.867 50 40 HFGB CCc1ccc(-c2nc(C(=O)NNS(=O)(=O)c3cccc(C#N)c3)cs2)cc1 7727129 FSAYXAHKBMVROZ-UHFFFAOYSA-N 412.496 2.867 50 40 HFGB O=C(COC(=O)[C@@H]1[C@@H]2C[C@@H]3[C@@H]1C(=O)O[C@@H]3[C@@H]2Br)c1ccc(Cl)cc1 8475299 FAIPMBWJCYMTIR-YQBXUVTMSA-N 413.651 2.637 50 40 HFGB CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)c1 24713822 BGMOBAHYMMMRBU-MSOLQXFVSA-N 421.563 2.717 50 40 HFGB COc1ccc(OCC(=O)N/N=C(\C)CC(=O)NCc2ccc(Cl)cc2)cc1 101538470 YIWQKUZGLJPEJU-OEAKJJBVSA-N 403.866 2.926 50 40 HFGB CCCCCC(=O)Nc1nnc(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)s1 408729190 BDNDXWHEYWJXJU-WOJGMQOQSA-N 404.452 2.658 50 40 HFGB COc1cc(/C=N/NC(=O)c2ccc(C)o2)cc(I)c1O 409033606 FSPBICAJRYKDPR-FRKPEAEDSA-N 400.172 2.671 50 40 HFGB CCCCOc1ccc(C(=O)NNC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)cc1 2064474 KINGOHDYZFFHOJ-UHFFFAOYSA-N 416.459 2.723 50 40 HFGB COc1ccc(-c2c(-c3ccc(OCC(=O)NN)cc3O)n[nH]c2C(F)(F)F)cc1 18046579 BNUDLNJGHPVWMB-UHFFFAOYSA-N 422.363 2.845 50 40 HFGB CCCn1c(=O)c(C(=O)N/N=C/c2ccc(O)c(OCC)c2)c(O)c2ccccc21 100181059 XMDRBVXYNJNNQR-YDZHTSKRSA-N 409.442 2.985 50 40 HFGB CC(=O)N[C@H](CC(=O)NNC(=O)COc1ccc(C)c(C)c1)c1ccc(Cl)cc1 13021679 OKBBVFJCHAEHFS-LJQANCHMSA-N 417.893 2.751 50 40 HFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1Cl)c1ccccc1Cl 20493187 VBYWGHIHBUXQKW-VXLYETTFSA-N 400.287 2.910 50 40 HFGB COc1ccc(/C=C(\C#N)C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)cc1 21487218 TWWHYCIROKGRAT-PGPKDTDWSA-N 409.461 2.931 50 40 HFGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(Cl)cc1)S(C)(=O)=O 408785680 AQPIAOAGNHIOCC-UDWIEESQSA-N 409.895 2.655 50 40 HFGB COc1cccc(C(=O)N2CCC(C(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)CC2)c1 409005672 JISVBHCIGFONFW-HYARGMPZSA-N 410.430 2.606 50 40 HFGB O=C(Cc1nnc(NC(=O)c2ccc(Cl)cc2)s1)N/N=C/c1ccc(O)cc1 825480 WYRPVJADVFHESH-KEBDBYFISA-N 415.862 2.842 50 40 HFGB Cc1cccc(OCC(=O)NNC(=O)CCC(=O)Nc2cccc(Cl)c2C)c1 4523846 VTYQBHZHQIHGAT-UHFFFAOYSA-N 403.866 2.902 50 40 HFGB CCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C(\C)c2ccc(OC)cc2O)c1 5602825 QSAUFUGFDHTXRZ-KGENOOAVSA-N 419.503 2.585 50 40 HFGB COC(=O)COc1ccc(/C=N/NC(=O)c2ccccc2Br)cc1OC 20760763 GQHDGMCGCRNMII-KEBDBYFISA-N 421.247 2.773 50 40 HFGB O=C1[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C(=O)N1c1ccc(O)cc1 100825956 KKPZIIQFEYLENP-KKOKHZNYSA-N 403.070 2.819 50 40 HFGB COc1ccccc1[C@@H]1C(C#N)=C(N)N(N2CCOCC2)C2=C1C(=O)CC(C)(C)C2 691442 GFGKZEWYQBEPES-HXUWFJFHSA-N 408.502 2.679 50 40 HFGB COc1ccccc1/C=N/NC(=O)Cc1nnc(NC(=O)c2cccc(C)c2)s1 1502374 ROYDZCMWXKIDSH-CIAFOILYSA-N 409.471 2.800 50 40 HFGB COc1ccc(CCCC(=O)NCC(=O)N/N=C/c2ccc(C)c([N+](=O)[O-])c2)cc1 2121939 RBLPYKVTNKHAJL-YDZHTSKRSA-N 412.446 2.501 50 40 HFGB COCCCNC(=O)CC(=O)N/N=C\c1cc(C)n(-c2ccc(Cl)cc2)c1C 58914016 GLBSXBXGOPWPQH-QRVIBDJDSA-N 404.898 2.740 50 40 HFGB CC1=CC(=O)[C@@H](Br)[C@@H](Br)/C1=N\S(=O)(=O)c1ccccc1 101028295 HSRUWLRUPQEIPE-VFXRXHLTSA-N 421.110 2.872 50 40 HFGB CCOC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc(OC)cc1OC 408605719 MXATYEQCJGWJQF-INIZCTEOSA-N 400.460 2.652 50 40 HFGB O=C(N/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)c1ccccc1Br 13897103 AEPBCEIFBVKKPB-FRKPEAEDSA-N 409.152 2.735 50 40 HFGB O=NN(CC(=O)N/N=C\C=C/c1ccccc1)CC(=O)N/N=C\C=C\c1ccccc1 17148397 NGGQPFWHNIOSMU-UECFSMFRSA-N 418.457 2.601 50 40 HFGB CN(C)c1ccc(/C=N\NC(=O)CN2CCN(Cc3ccccc3Cl)CC2)cc1 32576973 JUNBJYJSKPQFGT-IWIPYMOSSA-N 413.953 2.674 50 40 HFGB Cc1c(C(=O)N/N=C\c2cc#cc3ccccc23)nn(-c2ccccc2)c(=O)c1C#N 409060007 UIZSJECBXTUKDQ-YSMPRRRNSA-N 405.417 2.930 50 40 HFGB NC(=O)COc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(Br)cc1 409255207 GSBYUEUBONVZPQ-ZBKNUEDVSA-N 410.655 2.731 50 40 HFGB COc1ccc(/C=N/NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)c(OC)c1 1095074 HEEYRWPYXSFSJL-ZVHZXABRSA-N 413.449 2.845 50 40 HFGB N#C/C(C(=O)N1CCOCC1)=C1/S[C@H](Cc2ccccc2)C(=O)N1c1ccccc1 4327760 JDEZBWGFYMVYEN-LBMWUGKUSA-N 419.506 2.972 50 40 HFGB COc1cccc(/C=C(\C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)c1O 6622419 KBLCJYLCEBPAAH-SAPNQHFASA-N 403.442 2.882 50 40 HFGB C/C(CC(=O)Nc1ccccc1C)=N\NC(=O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 8683290 AZJPQPLQMCXTBE-FYJGNVAPSA-N 413.390 2.875 50 40 HFGB O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 9846763 YBQLANUSNKJZJG-CIAFOILYSA-N 417.385 2.659 50 40 HFGB CSc1ncc(Cl)c(C(=O)NNC(=O)c2ccccc2Br)n1 28289349 BZWRGWJYFMJHSP-UHFFFAOYSA-N 401.673 2.689 50 40 HFGB CCCCN1C(=O)/C(=N/NC(=O)c2cc(C)n[nH]2)c2cc(Br)ccc21 100887635 VJFYTSLDUIGPEQ-RCCKNPSSSA-N 404.268 2.761 50 40 HFGB CCN(CC)c1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)cc1 408780059 RBPJMBBGHPMDJB-HYARGMPZSA-N 420.510 2.588 50 40 HFGB CCN(CC)c1ccc(/C=N/NC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)cc1 5867173 VBLWHBKGLVVUCH-FIOICXDGSA-N 416.547 2.838 50 40 HFGB CSc1nc(C)c(CCC(=O)NNC(=O)[C@H](C)Oc2ccccc2F)c(C)n1 8245322 XZCRCSFEYKFUQX-ZDUSSCGKSA-N 406.483 2.502 50 40 HFGB CNc1ccc(C(=O)c2ccccc2C(=O)NNC(=O)c2ccccc2)cc1[N+](=O)[O-] 12737488 ZIKFVMARUCYSGC-UHFFFAOYSA-N 418.409 2.942 50 40 HFGB C/C(=N/NC(N)=O)[C@H](CN(C)C)[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 17215467 FPMUAHAGBPYEFC-XCBPOSOLSA-N 422.485 2.853 50 40 HFGB Cc1ccc(NC(=O)CSC2=NC(N)=C(C#N)C3(CCCCC3)[C@H]2C(N)=O)cc1 25764457 OVJOEKIWPPQKEY-KRWDZBQOSA-N 411.531 2.825 50 40 HFGB CS(=O)(=O)N(CC(=O)N/N=C/c1cc(Cl)cc(Cl)c1O)c1ccccc1 3663403 UNLHHEIVKPWBKB-DJKKODMXSA-N 416.286 2.615 50 40 HFGB CCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(CC)cc2)cc1 6647859 NHDGQSKHCZGOER-MFKUBSTISA-N 424.501 2.633 50 40 HFGB CC(C)(C)c1n[nH]c2c1[C@@H](c1ccccc1OC(=O)N1CCOCC1)C(C#N)=C(N)O2 6659043 AITCPPCULPMVPM-INIZCTEOSA-N 423.473 2.756 50 40 HFGB Cc1ccc(C(=O)NNC(=O)CN2C(=O)/C(=C\c3cccs3)SC2=S)cc1 8820232 IIHVRMXZBACMDD-NTEUORMPSA-N 417.537 2.719 50 40 HFGB CCCc1c(C(=O)N/N=C(\C)c2ccc(Cl)c(Cl)c2)nnn1-c1nonc1N 9496769 HMWKCMIINFTRBK-DNTJNYDQSA-N 423.264 2.646 50 40 HFGB O=C(Nc1ccc(Br)cc1)[C@@H]1[C@@H]2C[C@@H]3[C@@H]1C(=O)O[C@@H]3[C@@H]2Br 102635491 VKPBQANEOBHOAA-NGFXDRFKSA-N 415.081 2.959 50 40 HFGB Cc1cccnc1N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br 245230815 ZKYAEZPVIQTARD-JKCCIXDMSA-N 414.097 2.672 50 40 HFGB C=CCOc1cccc(/C=N/NC(=O)CN(c2ccc(CC)cc2)S(C)(=O)=O)c1 409028146 KMHNRBNMWJRUQM-PXLXIMEGSA-N 415.515 2.730 50 40 HFGB COc1ccc(C(=O)NNC(=O)CSc2nnc3cc(C)c4ccccc4n23)cc1 976394 AIOXQFPWLRIJGS-UHFFFAOYSA-N 421.482 2.753 50 40 HFGB COc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2C)cc1OC 2318958 UJXLRTHCTZAFNV-CIAFOILYSA-N 411.487 2.742 50 40 HFGB CCc1cccc(CC)c1NC(=O)C(=O)N/N=C/c1cc(OC)c(OC)c(OC)c1 3081941 GDEGEHUHSWDZIM-YDZHTSKRSA-N 413.474 2.926 50 40 HFGB COc1ccc(OC)c(/C=N/NC(=O)C(=O)NCc2ccc(Cl)cc2Cl)c1 5513051 RKWJYXIPOXXTHM-LSHDLFTRSA-N 410.257 2.777 50 40 HFGB O=C(CN1C[C@@H](c2ccccc2)CC1=O)N/N=C/c1cccc(Br)c1 6242139 HZEVDGIDMWFOMB-XYHOIZSOSA-N 400.276 2.915 50 40 HFGB Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)NNC(=O)c1ccco1 12933310 VHDJKABRNSSNNF-UHFFFAOYSA-N 420.347 2.745 50 40 HFGB C=CCc1cc(C(=O)NNC(=O)c2cc(Br)cn2C)cc(OC)c1OC 16271483 NGGKSOJGPOOSHX-UHFFFAOYSA-N 422.279 2.608 50 40 HFGB C[C@@H]1N[C@]2(C(=O)N(CCCCl)c3ccccc32)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12 103016815 FOTDVXWAZNZAMW-HXHYMRLSSA-N 423.900 2.655 50 40 HFGB COCCCNC(=O)C(=O)N/N=C/c1cccc(OCc2ccccc2Cl)c1 408609441 RIBWKNORVGKIHL-YDZHTSKRSA-N 403.866 2.522 50 40 HFGB C/C(=N\NC(=O)CN1CCOCC1)c1cccc(NC(=O)c2cccc(Cl)c2)c1 408719740 LEYQIVKFBTWBHJ-BUVRLJJBSA-N 414.893 2.765 50 40 HFGB Cn1c(SCC(=O)N/N=C/c2ccc([N+](=O)[O-])s2)nnc1-c1ccccc1 1823322 RKXLMGNKNHQREL-RQZCQDPDSA-N 402.461 2.694 50 40 HFGB CCCCn1nc(C(=O)N/N=C/c2ccc(OC)c(OC)c2)c2ccccc2c1=O 6785951 RGCRYXABFGXXBH-OEAKJJBVSA-N 408.458 2.978 50 40 HFGB COc1ccc(/C=N/NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] 13576208 AZOZQLKGLONHBR-GIJQJNRQSA-N 404.404 2.895 50 40 HFGB Cc1cc(C(=O)O)cc(S(=O)(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)c1C 14245985 BXAPXOQNJPXVLA-UHFFFAOYSA-N 420.531 2.918 50 40 HFGB Cc1ccccc1N(CC(=O)N/N=C/c1ccncc1)S(=O)(=O)c1ccccc1 33689329 SFGAQVNQDIWHMI-HZHRSRAPSA-N 408.483 2.736 50 40 HFGB COc1ccc(C(=O)NC(=S)NNC(=O)c2c(-c3ccccc3)noc2C)cc1 2251843 PFVGYWYNTOJVBP-UHFFFAOYSA-N 410.455 2.608 50 40 HFGB CCOc1ccc(-c2c(C(=O)N/N=C/C3CCCCC3)nnn2-c2nonc2N)cc1 9087248 RHZSIUFNUCAGPL-WSDLNYQXSA-N 424.465 2.594 50 40 HFGB Cc1c(Cl)cc(S(=O)(=O)NNC(=O)c2cc3c(s2)CCC3)cc1[N+](=O)[O-] 12922815 AHKZLJDQRCEEJJ-UHFFFAOYSA-N 415.880 2.730 50 40 HFGB COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)NNC(=O)c2ccccc2)n1 15279348 WBCYUISQZVBORU-UHFFFAOYSA-N 417.878 2.687 50 40 HFGB O=C(CNS(=O)(=O)c1ccccc1)N/N=C/c1ccccc1OCc1ccccc1 17420458 MHNCDGCJSDEBFL-HZHRSRAPSA-N 423.494 2.694 50 40 HFGB C/C(=N\NC(=O)CN(c1cccnc1)S(=O)(=O)c1ccccc1)c1ccccc1O 19952750 AIZYYTXEZQZIHL-XQNSMLJCSA-N 424.482 2.523 50 40 HFGB CNS(=O)(=O)c1ccc(C(=O)NN(Cc2ccccc2)Cc2ccccc2)cc1 32748043 WMZBMEILONAQOP-UHFFFAOYSA-N 409.511 2.942 50 40 HFGB O=C(N/N=C\C(Cl)=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1C(=O)O 33363057 CRMQGTZUFQNKGI-HKXUYCNZSA-N 416.777 2.613 50 40 HFGB Cc1nn(C)c(C)c1[C@@H](C)C(=O)NNC(=O)[C@H](C)Oc1cccc(Br)c1 62580337 ACBLUEVCFJGPQU-MFKMUULPSA-N 423.311 2.518 50 40 HFGB O=C(NP(=O)(NCc1cccnc1)NCc1cccnc1)C(Cl)(Cl)Cl 98048092 OTOXEAATLRBTCR-UHFFFAOYSA-N 422.640 2.951 50 40 HFGB CS(=O)(=O)N(CC(=O)NN=C1CCCCC1)c1ccc(Br)cc1 408777508 AVZWLJDNRCFOHF-UHFFFAOYSA-N 402.314 2.651 50 40 HFGB O=C(N/N=C1\C(=O)N(Cc2ccccc2)c2ccccc21)[C@H]1COc2ccccc2O1 5769345 FWVJGVQFASWYGU-ONAIBIAESA-N 413.433 2.894 50 40 HFGB CCOC(=O)Nc1nnc(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)s1 408732551 WRMLCTQDZACIFG-REZTVBANSA-N 402.263 3.106 50 40 HFGB CCc1ccc(-n2nc(C(=O)N/N=C\c3cccc(OC)c3)c(C)c(C#N)c2=O)cc1 409053463 KDRDLWNLIJEVCQ-QFEZKATASA-N 415.453 2.748 50 40 HFGB N#C/C(=C\c1cc([N+](=O)[O-])ccc1N1CCOCC1)C(=O)Nc1cccc(C(=O)O)c1 35131826 DEDHTQKXEQYEIX-MHWRWJLKSA-N 422.397 2.675 50 40 HFGB O=C1O[C@H]2[C@@H]3C[C@H]([C@@H](C(=O)Nc4ccc(Br)cc4)[C@@H]13)[C@H]2Br 102635494 VKPBQANEOBHOAA-HKLHZYFVSA-N 415.081 2.959 50 40 HFGB CCOCCOCCO[C@]12C(=O)C(Cl)=C(Cl)C(=O)[C@]13[C@H]1C[C@H]2[C@@H](Cl)[C@H]13 103835308 RKQLZICUXNCADK-CMSUMFTHSA-N 409.693 2.509 50 40 HFGB CCCOc1ccc2[nH]c(C(=O)NNC(=O)CCC(=O)NCc3ccccc3)cc2c1 199425213 MVNMIFXCXYBNJC-UHFFFAOYSA-N 422.485 2.814 50 40 HFGB COc1ccc(OCC(=O)N/N=C/c2cccc(I)c2)cc1 716713 DBYWSQPIMKFAOQ-VCHYOVAHSA-N 410.211 2.829 50 40 HFGB O=C(N/N=C/c1cc(I)ccc1O)c1ccc2c(c1)OCCO2 1435383 HUMSPDDTIKXBFS-GIJQJNRQSA-N 424.194 2.532 50 40 HFGB CC1(C)Cc2cccc(OCC(=O)NNC(=S)Nc3ccc([N+](=O)[O-])cc3)c2O1 5482262 ZZSPFYZLYLAWIL-UHFFFAOYSA-N 416.459 2.705 50 40 HFGB O=C(Cc1ccccc1)Nc1ccc(C(=O)NNC(=O)c2ccccc2C(=O)O)cc1 6227617 SZAHIQRMXPIQIX-UHFFFAOYSA-N 417.421 2.641 50 40 HFGB Cn1c(CC(=O)NNC(=S)Nc2ccc(OC(F)F)cc2)nc2ccccc21 6565534 LHAFJOMSMWFEKH-UHFFFAOYSA-N 405.430 2.735 50 40 HFGB CSc1nc(C)c(CCC(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)c(C)n1 8245318 XZCRCSFEYKFUQX-CYBMUJFWSA-N 406.483 2.502 50 40 HFGB Cc1cc([N+](=O)[O-])ccc1NC(=O)CCC(=O)N/N=C/c1ccc([N+](=O)[O-])s1 8399411 UISQBPNPCHKBNU-RQZCQDPDSA-N 405.392 2.742 50 40 HFGB CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)[C@H](C)CC)cc2)cc1 12507927 SWZIYPSGUUWDLT-CQSZACIVSA-N 419.503 2.693 50 40 HFGB C[C@H]1N[C@]2(C(=O)N(CCCCl)c3ccccc32)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]12 14943552 FOTDVXWAZNZAMW-BUFVEUBRSA-N 423.900 2.655 50 40 HFGB COc1ccc(Cl)cc1N1C[C@@H](C(=O)NNC(=O)c2ccccc2Cl)CC1=O 28772394 GCTQFUKDJIBQNS-NSHDSACASA-N 422.268 2.816 50 40 HFGB c1ccc(P(CCP(c2ccccn2)c2ccccn2)c2ccccn2)nc1 43206030 GBLNXAZZONXIQE-UHFFFAOYSA-N 402.378 2.832 50 40 HFGB O=C(N/N=C/c1cc2c(cc1Br)OCO2)C(=O)Nc1cccc(Cl)c1 59515635 IKHGUBHYPLENNW-FBCYGCLPSA-N 424.638 2.920 50 40 HFGB CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NNC(=O)c1ccncc1 103918436 DIXGDTYGQKQRNH-AQTBWJFISA-N 408.418 2.701 50 40 HFGB CCOc1cc(/C=N/NC(=O)c2cc(C)nc3ccccc23)ccc1OCC(N)=O 662532 SCSBMOXTWRPINF-WYMPLXKRSA-N 406.442 2.570 50 40 HFGB Cc1cc2oc(=O)cc(C)c2cc1OCC(=O)NNC(=S)NC1CCCCC1 6922329 WZWWJCGOAPSSPL-UHFFFAOYSA-N 403.504 2.617 50 40 HFGB Cc1ccc(NC(=O)C(=O)N/N=C/c2cc3c(cc2Br)OCO3)cc1C 59515627 SLMLBJNXTBBXHP-DNTJNYDQSA-N 418.247 2.883 50 40 HFGB N#CC(C#N)=C/C(C#N)=C(/N)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 100424107 ZPMMALZKZMSVMA-NTCAYCPXSA-N 407.787 2.543 50 40 HFGB C/C(=N\NC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 408778801 LDXCGSCZSJQMNC-XDHOZWIPSA-N 424.866 2.555 50 40 HFGB COc1ccc2o/c(=N/NC(=O)c3ccc(Br)cc3)c(C(N)=O)cc2c1 4574413 SLJPEPJBKFPXLF-RELWKKBWSA-N 416.231 2.549 50 40 HFGB Cc1cc(OCC(=O)NNC(=O)c2ccc(NC(=O)C3CC3)cc2)ccc1Cl 6477559 CLCPRUVIJCCCEI-UHFFFAOYSA-N 401.850 2.837 50 40 HFGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C/c1cc2c(cc1Br)OCO2 6528674 FMUAEWJPDUGMCR-QGMBQPNBSA-N 406.192 2.779 50 40 HFGB Cc1cccc(C)c1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)NCC(C)C)c1 6868099 ZVBQMBRCCWETEZ-DHRITJCHSA-N 424.501 2.543 50 40 HFGB O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]12)NCCSSc1ccccn1 38600348 MAJOROISBURONW-HEHGZKQESA-N 412.606 2.664 50 40 HFGB in-vitro COc1ccc(Cl)cc1N(CC(=O)N/N=C(\C)c1ccccc1)S(C)(=O)=O 408780678 HVCKGJDOYAGPFB-DEDYPNTBSA-N 409.895 2.655 50 40 HFGB Cc1cccc(C(=O)NNC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)c1 7777074 NUPJDRULVWQCEA-UHFFFAOYSA-N 415.496 2.932 50 40 HFGB CC1=C(C#N)C(=O)N(CCN2CCOCC2)C(=O)/C1=C\Nc1ccccc1C(C)C 9421019 ARBRRHGAKZZNRW-HKWRFOASSA-N 408.502 2.647 50 40 HFGB O=C(NNC(=S)NC(=O)c1ccc(F)c(F)c1)c1ccc(Br)cc1 13646066 YSZCJCAZCKNAQJ-UHFFFAOYSA-N 414.231 2.677 50 40 HFGB C=CCOc1ccc(/C=N/NC(=O)c2ccc(CN3CCOCC3)cc2)cc1OC 408726899 NQPCEUQTGZWRTC-LFVJCYFKSA-N 409.486 2.856 50 40 HFGB COc1ccc(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1 408871071 VUASHJPHCILKCU-LANLRWRYSA-N 421.906 2.652 50 40 HFGB Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)NNC(=O)CC(C)C 10161097 DFRQEKQOWSYDDY-UHFFFAOYSA-N 410.396 2.884 50 40 HFGB CC(C)CCOc1ccc(C(=O)NNS(=O)(=O)c2cccc3nsnc23)cc1 19077236 RJAYLABXKVBWBK-UHFFFAOYSA-N 420.516 2.740 50 40 HFGB C[C@H](C(=O)N/N=C/c1ccc(Br)cc1)N(c1ccccc1)S(C)(=O)=O 408907816 SNNQKMYBKWKJNA-KZKLBEMASA-N 424.320 2.754 50 40 HFGB CCOc1ccc(/C=N\NC(=O)c2nn(-c3ccc(F)cc3)c(=O)c(C#N)c2C)cc1 409053402 JTPFNBNTQBZUFA-MXAYSNPKSA-N 419.416 2.714 50 40 HFGB CCOC(=O)COc1ccc(Br)cc1/C=C(\C#N)C(=O)N1CCCC1 409368658 GRYVVTYNSQXQTJ-NTEUORMPSA-N 407.264 2.920 50 40 HFGB CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cc(OC)cc(OC)c3)[C@H]2C1 658956 LWFAHMGEWUDBPH-SFTDATJTSA-N 403.486 2.839 50 40 HFGB O=C1O[C@@H]2[C@H](Br)[C@H]3C[C@@H]2[C@H]1[C@H]3C(=O)Nc1ccc(Br)cc1 9581282 VKPBQANEOBHOAA-JOGIVDDZSA-N 415.081 2.959 50 40 HFGB COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2C)cc(Br)c1O 409166860 GJUIAVBBHTVCOO-AWQFTUOYSA-N 420.263 2.869 50 40 HFGB COc1cc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2C)ccc1O 659874 GCLQDPKLULCGGJ-SRZZPIQSSA-N 411.487 2.747 50 40 HFGB O=C1[C@H]2C[C@H](Br)[C@H](Br)C[C@@H]2C(=O)N1c1ccc(O)cc1 4156931 KKPZIIQFEYLENP-FIQHERPVSA-N 403.070 2.819 50 40 HFGB CCn1c(C)nc2cc(C(=O)NNC(=O)c3cccc(Nc4ncccn4)c3)ccc21 12545740 VEXPRBFWOCXDEJ-UHFFFAOYSA-N 415.457 2.973 50 40 HFGB CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NNC(=O)Cc2c[nH]c3ccccc23)C1 12944051 BYOWQZLYDKAOBW-CQSZACIVSA-N 400.479 2.505 50 40 HFGB Cc1cc([N+](=O)[O-])cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c1O 36216316 NOSBOTQAYIOVDE-OEAKJJBVSA-N 405.410 2.995 50 40 HFGB COc1cc(/C=N/NC(=O)CN2CCOCC2)ccc1OCc1ccccc1Cl 408734958 HRCMRDITOJRRPA-YDZHTSKRSA-N 417.893 2.710 50 40 HFGB Cn1c(O)c(C(=O)N/N=C/c2cccc(Br)c2)c(=O)c2ccccc21 2290618 VONWDLLMRROFAW-KEBDBYFISA-N 400.232 2.771 50 40 HFGB CCOc1cc(/C=N/NC(N)=O)ccc1OCCOCCOc1ccccc1C 4512099 OBUDQOLQRLIIEK-HZHRSRAPSA-N 401.463 2.870 50 40 HFGB COc1ccc(/C(C)=N/NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1 5163513 FDYXIAPGUGYCLE-RCCKNPSSSA-N 401.488 2.634 50 40 HFGB COc1cc(OC)c(N2C[C@@H](C(=O)NN(C)c3ccccc3)CC2=O)cc1Cl 13003052 RBDKXZGEEDWKSL-ZDUSSCGKSA-N 403.866 2.878 50 40 HFGB CC(C)NC(=O)COc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc1 28215159 HQBBLQFDPJCYEG-SSDVNMTOSA-N 403.866 2.773 50 40 HFGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)NC[C@H]3CCCO3)c2C)cc1Cl 408969376 MVRLEMKBBDSWBL-SFQCIDFKSA-N 416.909 2.801 50 40 HFGB C=C1C(=O)O[C@@H]2C=C(COC(C)=O)CCC=C(C=O)C[C@@H](OC(=O)CC(C)C)[C@H]12 958318593 SLDSEAYVUCFJOD-SBHAEUEKSA-N 404.459 2.841 50 40 HFGB biogenic,in-vitro Cc1ccc(OCC(=O)NNC(=O)c2cc(-c3ccccc3)n[nH]2)c2c1[C@@H](C)CC2=O 12520700 FPQZWFWLPOAYPA-AWEZNQCLSA-N 418.453 2.915 50 40 HFGB Cc1cccc(C)c1OCC(=O)N/N=C\C=N\NC(=O)COc1c(C)cccc1C 13880640 NTCDSYWQQIASHZ-QEUMEHMPSA-N 410.474 2.582 50 40 HFGB Cc1occc1C(=O)Nc1nc(CC(=O)NNC(=O)c2cccc(Cl)c2)cs1 40129076 SLAUEVYRKHVKCL-UHFFFAOYSA-N 418.862 2.954 50 40 HFGB Cc1ccc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1 408864164 WYYBKSYELLALLR-KOMLCTQHSA-N 405.907 2.952 50 40 HFGB O=C(N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1)c1ccc2ccccc2c1 409013826 WCINUBLQHRAXBM-PCLIKHOPSA-N 417.465 2.841 50 40 HFGB C=CCOc1ccc(/C=N/NC(=O)CNS(=O)(=O)c2c(C)cc(C)cc2C)cc1 6607307 FKSALXUQVPXJOV-LPYMAVHISA-N 415.515 2.605 50 40 HFGB COc1ccc(O[C@H](C)C(=O)NNC(=O)[C@@H](C)Nc2nc3ccccc3s2)cc1 11374904 KWIQWMIHEGAADX-CHWSQXEVSA-N 414.487 2.720 50 40 HFGB CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(F)cc3F)[C@H]2C1 4452947 KJLZFDGVTXNHIY-WMZOPIPTSA-N 409.396 2.847 50 40 HFGB COc1cc(/C=N/NC(=O)c2cc(-c3cccs3)n[nH]2)cc(OC)c1OC(C)=O 5072511 DAPRJAXFHRHSKG-KEBDBYFISA-N 414.443 2.845 50 40 HFGB CNC(=O)/C(C#N)=C1/S[C@H](Cc2ccc(OC)cc2)C(=O)N1c1ccccc1OC 11690305 UVZQGUQUZASOSJ-NDWLXSOOSA-N 423.494 2.876 50 40 HFGB CCCOC(=O)c1ccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)cc1 101879472 AXHFZTHOZFICSC-FWXGHANASA-N 422.275 2.763 50 40 HFGB COC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1cc(Cl)c(OC)c(OC)c1 408609343 ZPYFFCHDXGGOCP-AWEZNQCLSA-N 420.878 2.915 50 40 HFGB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=N/NC(=O)c1cncc(Br)c1 101113223 TVRIKOAOFSZRCV-IXJMWADBSA-N 400.236 2.599 50 40 HFGB Cn1cc(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)n(C)c1=O 104243554 GKLBKJARLJGKAF-UHFFFAOYSA-N 415.433 2.893 50 40 HFGB Cc1ccccc1OCC(=O)N/N=C/c1cc(I)ccc1O 1021326 KPTQIJNPKYYAGB-GIJQJNRQSA-N 410.211 2.834 50 40 HFGB COc1ccc(OCC(=O)N/N=C/c2ccc3c(c2)OCO3)c(Br)c1 1051549 SNUALJSGIDWTBM-UFWORHAWSA-N 407.220 2.716 50 40 HFGB CC(=O)Nc1ccccc1NC(=O)C/C(C)=N/NC(=O)c1ccc(C)c([N+](=O)[O-])c1 5747199 QRBNYNHPVAYZRO-YDZHTSKRSA-N 411.418 2.996 50 40 HFGB COC(=O)c1sc(NC(=O)/C(C#N)=C/c2ccc(N(C)C)o2)c(C(=O)OC)c1C 6825044 CENZPMMHPODIHN-DHZHZOJOSA-N 417.443 2.834 50 40 HFGB CC(C)Oc1ccc(C(=O)NNC(=O)[C@@H](NC(=O)C2CCCCC2)C(C)C)cc1 14340576 JUTKWFRCBCJRED-IBGZPJMESA-N 403.523 2.956 50 40 HFGB Cc1ccccc1OCCN(C)CC(=O)NNC(=O)c1ccc(Br)cc1 15099297 RQLZKNLFEFPPRW-UHFFFAOYSA-N 420.307 2.529 50 40 HFGB O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)N/N=C/c1cccnc1 20047751 CYEYRKJTOVEGNK-OEAKJJBVSA-N 412.446 2.566 50 40 HFGB Cn1cnnc1SCc1ccc(C(=O)NNC(=O)C(F)(F)c2ccccc2)cc1 57992549 AGIHTLQTNRIIDO-UHFFFAOYSA-N 417.441 2.660 50 40 HFGB CCCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)c(OCC)c1 408608449 HLOYIDCNSMTXDE-ZMOGYAJESA-N 401.438 2.780 50 40 HFGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccc(Cl)c1)c1cccc(Cl)c1 408771928 LKKVYVAUAUCJSV-VXLYETTFSA-N 400.287 2.910 50 40 HFGB O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)N[C@@H]1CS(=O)(=O)C[C@@H]1Cl 575424790 NIWHXGFHKGMKQV-CMPLNLGQSA-N 406.316 2.989 50 40 HFGB CN(C)c1ccc(/C=N/NC(=O)CCNC(=O)c2ccccc2Br)cc1 2675850 JXWLIMSUOXKQPD-LPYMAVHISA-N 417.307 2.785 50 40 HFGB O=NN(CCCl)C(=O)NCC1CCC(CNC(=O)N(CCCl)N=O)CC1 5031168 CYGMMFMJKYSPHC-UHFFFAOYSA-N 411.290 2.656 50 40 HFGB CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cc(Br)cs3)[C@H]2C1 5646226 QWIYLVAXSYUKGP-ZFWWWQNUSA-N 400.305 2.866 50 40 HFGB CCn1c(C)nc2cc(C(=O)NNC(=O)C[C@H]3Sc4ccccc4NC3=O)ccc21 9581199 AIOQGRVQUSKQBK-GOSISDBHSA-N 423.498 2.629 50 40 HFGB Cc1cc2c(cc1Br)NC(=O)/C2=N/NC(=O)c1cccc([N+](=O)[O-])c1 12403586 FHZQDNOYYJKXLG-UHFFFAOYSA-N 403.192 2.752 50 40 HFGB Cc1noc(-c2ccc(C(=O)NNC(=O)c3ccccc3Br)cc2)n1 32908241 XVNPWSPYFUARAY-UHFFFAOYSA-N 401.220 2.882 50 40 HFGB O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccco1 409020979 WLYBYJRKSGOSCH-LPYMAVHISA-N 415.446 2.760 50 40 HFGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccc(C(F)(F)F)c1)c1cccc(F)c1 409109544 GZZRFQSEZJQXIB-LSHDLFTRSA-N 417.384 2.761 50 40 HFGB COc1cc(C(=O)OCC(=O)NNC(=O)c2cccs2)ccc1OCCC(C)C 9178046 PMQOUAURHGVBFE-UHFFFAOYSA-N 420.487 2.800 50 40 HFGB CCn1c(C)nc2cc(C(=O)NNC(=O)c3ccc4c(c3)NC(=O)[C@H](C)S4)ccc21 9509403 QBGMZJASYFGVFI-NSHDSACASA-N 423.498 2.872 50 40 HFGB CC(=O)Nc1ccccc1NC(=O)C/C(C)=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1 16136990 LZTFKIMTDHFGJK-YDZHTSKRSA-N 411.418 2.617 50 40 HFGB COc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCC2)c2ccccc2)cc1 18191693 FHPAYSBYRKBOSV-UHFFFAOYSA-N 401.488 2.937 50 40 HFGB CCOc1cc(/C=N\NC(=O)[C@H]2COc3ccccc3O2)cc(Br)c1O 31885616 GNBNEGRICRMLOS-PADWCVLASA-N 421.247 2.844 50 40 HFGB COc1ccc(/C(C)=N/NC(=O)CCN2CCN(Cc3ccccc3)CC2)cc1OC 33533242 GFHFOIFMMJDGLL-NCELDCMTSA-N 424.545 2.752 50 40 HFGB O=C(COc1ccc(Br)cc1)NNC(=S)NCCCc1ccccc1 408587981 VNYHSXZCQDZRKE-UHFFFAOYSA-N 422.348 2.956 50 40 HFGB COC(=O)COc1ccc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)cc1OC 408973340 YNRXGDVVRPXMBJ-SSDVNMTOSA-N 412.398 2.766 50 40 HFGB COc1cc(N2CCCC2)c(OC)cc1/C=N\NC(=O)COc1ccccc1OC 409094850 GLGQNRSKHSYPSR-UCQKPKSFSA-N 413.474 2.842 50 40 HFGB CCN(CC)C(=O)COc1ccc(/C=N/NC(=O)[C@H](C#N)c2ccccc2)cc1OC 409194842 NIJQFHROYUJVFF-KWXFCVSUSA-N 422.485 2.700 50 40 HFGB Cc1ccc(C(=O)NN[C@@H](CNS(=O)(=O)c2ccccc2)c2ccccc2)cc1 6785235 BZQOCZGEZIUJGX-NRFANRHFSA-N 409.511 2.949 50 40 HFGB COc1ccc(C(=O)Nc2nnc(CC(=O)N/N=C/c3ccc(C)cc3)s2)cc1 8766744 GPRPBTWPDCBURJ-CIAFOILYSA-N 409.471 2.800 50 40 HFGB COc1ccc(/C=C/C(=O)NNC(=O)COc2cccc(C(F)(F)F)c2)c(OC)c1 9597073 SYDJOIVTYKATAC-VQHVLOKHSA-N 424.375 2.962 50 40 HFGB CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1cccc2nccnc12 15975066 DREANLKVPKAZML-HJGVYBFFSA-N 403.508 2.726 50 40 HFGB Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)[C@@H]3CCCC[C@H]3C(=O)O)cc2)c1 17093555 BBLQGGCTITUIKP-RTBURBONSA-N 423.469 2.899 50 40 HFGB O=C(N/N=C/c1cc(Br)ccc1Nc1ccccc1)C(=O)NC1CC1 408706702 CMUFGRXPBUTUCM-RGVLZGJSSA-N 401.264 2.921 50 40 HFGB CCc1ccccc1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)N[C@@H](C)CC)c1 409254640 FEXOFLMNJKRDGB-GCMSVZMUSA-N 424.501 2.631 50 40 HFGB O=C(Cn1ncc2ccccc2c1=O)NNC(=S)Nc1cc(Cl)cc(Cl)c1 14944533 RYZYIBYVBXLAMT-UHFFFAOYSA-N 422.297 2.721 50 40 HFGB COCc1cc(C)nc(OCC(=O)N/N=C/c2cccc(Br)c2)c1C#N 16267859 FXBDLEJJNKVOCN-ZVBGSRNCSA-N 417.263 2.700 50 40 HFGB Cc1cccc(N(CC(=O)N/N=C/c2c(O)ccc3ccccc23)S(C)(=O)=O)c1 20060337 FXFHHJPSDQKIDS-LPYMAVHISA-N 411.483 2.770 50 40 HFGB O=C(CCl)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)cc1Cl 101308908 CRQDTLOVLYYAAO-HKLAFJFVSA-N 413.735 2.834 50 40 HFGB Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=N/NC(=O)CC2(C)OCCO2)c1C 408590619 PZPCLHLKRFCMQT-CIAFOILYSA-N 400.435 2.914 50 40 HFGB CCOc1ccccc1/C=N/NC(=O)CN(C)S(=O)(=O)c1c(C)cc(C)cc1C 6539534 CXUUKVXXKAMMSK-LPYMAVHISA-N 417.531 2.781 50 40 HFGB COC(=O)c1ccc(NC(=O)C(=O)N/N=C\c2cc(C)n(-c3ccccc3)c2C)cc1 223162293 BBFGKWJWZYLSNN-OYKKKHCWSA-N 418.453 2.970 50 40 HFGB COc1cc(/C=N/NC(=O)c2ccc(C)o2)cc(I)c1OC 409035680 TVSVQHZMBKJWEL-CAOOACKPSA-N 414.199 2.974 50 40 HFGB O=C(Oc1ccc(/C=N/NC(=O)[C@@H](O)c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 3101134 LCBYYSJUNKUTSZ-BTVXTAIASA-N 419.393 2.998 50 40 HFGB O=C(Oc1ccc(/C=N/NC(=O)[C@H](O)c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 3101136 LCBYYSJUNKUTSZ-RXULLKCLSA-N 419.393 2.998 50 40 HFGB C/C(=N\NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(Cl)cc1 9140583 HYSAAKLQDNFOOI-KGENOOAVSA-N 421.906 2.515 50 40 HFGB CCOc1ccc(C(=O)NNC(=O)[C@H]2CC(=O)N(c3ccc(SC)cc3)C2)cc1 12741483 XCJZRECPBJVTKZ-HNNXBMFYSA-N 413.499 2.621 50 40 HFGB COC(=O)c1ccc([C@@H]2C(C#N)=C(N)C(C#N)(C#N)C3=CCN(C(C)C)C[C@H]32)cc1 26417315 PZUDQWUCUUZZOL-UYAOXDASSA-N 401.470 2.607 50 40 HFGB O=C(N/N=C/c1cc2c(cc1Br)OCO2)c1cccc([N+](=O)[O-])c1O 38534897 JULGRKDWEANHDZ-UBKPWBPPSA-N 408.164 2.556 50 40 HFGB O=C(CCCCCN1C(=O)c2ccccc2C1=O)NNC(=O)c1ccccc1Cl 96346783 YMQISPIHGSLDHN-UHFFFAOYSA-N 413.861 2.958 50 40 HFGB COc1ccc(C(=O)N2CCC(C(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)CC2)cc1 409004847 FMBACSHWBPNUJE-HYARGMPZSA-N 410.430 2.606 50 40 HFGB CCOCCCNC(=O)C(=O)N/N=C/c1cccc(OC)c1Nc1ccccc1C 408708632 RTDVYRTZDXIUHV-BUVRLJJBSA-N 412.490 2.740 50 40 HFGB C[C@@H](C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1Cl)N(c1ccccc1)S(C)(=O)=O 408906235 DGAFQPCIPLYLII-MKFNJMOCSA-N 424.866 2.553 50 40 HFGB CN(CC(=O)N/N=C/c1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccc(F)cc1 6313505 NNIITBPEWNDVTQ-LPYMAVHISA-N 405.495 2.894 50 40 HFGB NNC(=O)COc1ccc(-c2n[nH]cc2-c2ccc(Br)cc2)c(O)c1 6448371 ZHWFPSCNLPJEBU-UHFFFAOYSA-N 403.236 2.581 50 40 HFGB CC(C)(C)c1ccc(/C=N\NC(=O)CN(CCc2ccccc2)S(C)(=O)=O)cc1 35145434 UAGDOJOEHLTTFR-KQWNVCNZSA-N 415.559 2.939 50 40 HFGB COC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc1OC 408965428 HILKDGJJYDDDPQ-NUGSKGIGSA-N 419.796 2.675 50 40 HFGB COc1cc(/C=N/NC(=O)c2nonc2N)ccc1OCc1ccc(Cl)cc1 725942 KPGMNDMRFSMCGB-ZVBGSRNCSA-N 401.810 2.657 50 40 HFGB COc1ccc(/C=C/C(=O)NNC(=O)COc2ccc(Cl)c(C)c2)cc1OC 1776335 GNFHLGAWJQVFIN-WEVVVXLNSA-N 404.850 2.905 50 40 HFGB C=CCNC(=O)NC(=O)COC(=O)/C(C#N)=C/c1cc(C)n(CCC(C)C)c1C 13122117 NXTJTUVFSVXTIB-WOJGMQOQSA-N 400.479 2.613 50 40 HFGB O=C(CNc1ccc2c(c1)OCO2)N/N=C\c1ccccc1I 16449103 WYSZYCFEDOOKLB-UWVJOHFNSA-N 423.210 2.582 50 40 HFGB C#CCOc1c(I)cc(/C=C(/C#N)C(=O)N(C)C)cc1OCC 59334709 OQFRABXCKJTGPU-JYRVWZFOSA-N 424.238 2.697 50 40 HFGB Cc1nc(C(C)(C)C)nc(O)c1C(=O)NNc1cc(Cl)nc2c1c(C)nn2C 1650670924 KSYCWIYSJGIJHH-UHFFFAOYSA-N 403.874 2.789 50 40 HFGB CCC(O)(CC)C(=O)NN(C(=O)c1cc(OC)c(OC)c(OC)c1)c1ccccc1 4549911 SOKKMXRTAZTWNR-UHFFFAOYSA-N 416.474 2.942 50 40 HFGB CCn1c(C)nc2cc(C(=O)NNC(=O)CSCc3c(C)noc3C)ccc21 21248511 DNQQJPDZQVHDJX-UHFFFAOYSA-N 401.492 2.664 50 40 HFGB COc1ccc(NC(=O)CCC(=O)N/N=C/c2cc(Cl)cc([N+](=O)[O-])c2O)cc1 38176027 PLIXIHQSTKZFMW-KEBDBYFISA-N 420.809 2.831 50 40 HFGB CCS(=O)(=O)[C@H](I)[C@H](O)c1ccc(Br)cc1 96519232 WXAFQPBGYIGPHD-ZJUUUORDSA-N 419.078 2.678 50 40 HFGB N#C/C(=C\c1cn(CC(=O)NC[C@@H]2CCCO2)c2ccccc12)C(=O)NC1CCCC1 890531 KATGBNIJOVPWJG-KZFLWGQDSA-N 420.513 2.902 50 40 HFGB CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)NNC(=S)NC1CCCCC1 28631550 QZJHIFGLVXWWCF-MRXNPFEDSA-N 412.506 2.547 50 40 HFGB Cc1cc(/C=N/NC(=O)C(=O)NCc2ccncc2)c(C)n1-c1cccc(Cl)c1 58912403 YETIUKQAAPHJAA-DHRITJCHSA-N 409.877 2.909 50 40 HFGB CC(C)N1C(=O)/C(=N/NC(=O)COc2ccc(Cl)cc2[N+](=O)[O-])c2ccccc21 101454898 IDPWRFPHBBIVFL-RELWKKBWSA-N 416.821 2.903 50 40 HFGB COc1cc(OC)cc(C(=O)NN/C(C)=C2\C(=O)N(c3ccc(F)cc3)N=C2C)c1 103916694 NVSUUMHMYYTIPU-UNOMPAQXSA-N 412.421 2.774 50 40 HFGB COc1ccc(CC(=O)N/N=C/c2ccc(I)o2)cc1OC 2298601 FHOJLIKAHILQCE-RQZCQDPDSA-N 414.199 2.594 50 40 HFGB O=C(N/N=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccccc1-n1cccc1 4108565 AJOGRHFCBRBXBP-XQNSMLJCSA-N 419.441 2.986 50 40 HFGB Cc1ccc(OCC(=O)NNC(=O)c2ccccc2I)cc1C 12907849 AZGHCZAJOGVYAU-UHFFFAOYSA-N 424.238 2.748 50 40 HFGB O=C(Cc1ccc(Cl)cc1)NNC(=O)c1cccn(Cc2ccc(F)cc2)c1=O 23109366 HVJNKBQDLAQDBS-UHFFFAOYSA-N 413.836 2.693 50 40 HFGB O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1ccc(-c2ccc(C(=O)O)cc2)o1 59463286 GQQGBPKREHYNNM-AUEPDCJTSA-N 407.382 2.936 50 40 HFGB CCOC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)CC2(C)OCCO2)c1C 408589652 MJQYWEURGBCBLU-OEAKJJBVSA-N 413.474 2.874 50 40 HFGB CC(C)COc1ccc(/C=N/NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc1 409116637 JTXXTYUJZSIOGM-FYJGNVAPSA-N 403.504 2.881 50 40 HFGB CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2c(O)ccc3ccccc23)cc1 4499506 ULAJKWWTMDPMOQ-YDZHTSKRSA-N 405.410 2.811 50 40 HFGB O=C(NNC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1)c1ccoc1 12945312 PQKUCTYVJGUVFT-UHFFFAOYSA-N 419.846 2.809 50 40 HFGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(SC)cc1)S(C)(=O)=O 20210553 PSVDFMSPGNXITQ-DEDYPNTBSA-N 421.544 2.724 50 40 HFGB O=C1[C@@H]2[C@H]3C[C@H]([C@@H]2C(=O)N1c1cccc(O)c1)[C@@H](Br)[C@@H]3Br 169615961 LIAJPCACUBPKDT-JOLBHGKHSA-N 415.081 2.675 50 40 HFGB CCCOc1ccc(/C=N/NC(=O)CN(c2ccc(CC)cc2)S(C)(=O)=O)cc1 409026375 NGFIYETYZDQIBQ-PXLXIMEGSA-N 417.531 2.954 50 40 HFGB COc1ccc(OC)c([C@H]2[C@@H]3CN(C(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)c1 803672 IDEYSEQIMFVWJK-CTNGQTDRSA-N 403.486 2.838 50 40 HFGB CCOC(=O)Cn1c(Cl)c(/C=N/NC(=O)c2ccccc2Cl)sc1=O 4942510 DALAVFBIXGELNA-CNHKJKLMSA-N 402.259 2.544 50 40 HFGB C[C@H](Oc1ccc2ccccc2c1)C(=O)NNS(=O)(=O)c1cc(F)cc(F)c1 12856763 FJSHWJFLRWKITE-LBPRGKRZSA-N 406.410 2.895 50 40 HFGB CN(CC(=O)N/N=C/c1ccc(F)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl 16186939 OLZLLUNOAGYNMT-AWQFTUOYSA-N 418.277 2.903 50 40 HFGB O=C(CCl)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)c(Cl)c1 101314538 HKFQTOILZGTBOC-HMILLTCMSA-N 413.735 2.834 50 40 HFGB CCc1ccccc1N(CC(=O)N/N=C/c1ccncc1)S(=O)(=O)c1ccccc1 408861348 QSNYCDVNHHHMDT-LFVJCYFKSA-N 422.510 2.990 50 40 HFGB COC(=O)COc1c(Cl)cc(/C=N/NC(=O)CNc2ccc(F)cc2)cc1OC 409342500 GKWQMNVWTUGBOE-NUGSKGIGSA-N 423.828 2.602 50 40 HFGB COc1cc2c(cc1OC)C1=C[C@]3(C(=O)Nc4ccccc43)C(C#N)=C(N)N1CC2 5427888 YTBSSZXJJLXCIE-HSZRJFAPSA-N 400.438 2.500 50 40 HFGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)ccc1OCC(=O)O 6656610 ZBSUMFQYNMOGBY-NVNXTCNLSA-N 410.382 2.793 50 40 HFGB O=C(COc1ccccc1-c1ccccc1)NNC(=O)[C@H]1Cc2ccccc2C(=O)O1 12611070 DDHKEJVVOXENPE-OAQYLSRUSA-N 416.433 2.662 50 40 HFGB CC(C)(C)c1cc(C(=O)N/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)n[nH]1 38186920 GOMQHDOEFIFZKB-REZTVBANSA-N 410.228 2.847 50 40 HFGB O=C(CNc1ccc(F)cc1)N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O 58900813 KOHXPGGEEXWZPX-FBCYGCLPSA-N 411.187 2.764 50 40 HFGB COc1cc(CC(=O)NNC(=O)c2cc3c(s2)CC[C@@H](C)C3)cc(OC)c1OC 5860222 WYNILSTWGZIYDT-GFCCVEGCSA-N 418.515 2.902 50 40 HFGB CC[C@H](C)c1ccc(S(=O)(=O)NNC(=O)c2cc(Br)cn2C)cc1 12922847 WOEHYZIOPVMVMI-NSHDSACASA-N 414.325 2.924 50 40 HFGB Cc1ccc(C(=O)NNC(=O)c2occc2CS(=O)(=O)c2ccccc2)c(C)c1 22023411 CPMKZZSREFGTLU-UHFFFAOYSA-N 412.467 2.945 50 40 HFGB Cc1cccc(-n2nc(C(=O)N/N=C\c3ccc(N(C)C)cc3)c(C)c(C#N)c2=O)c1 409060548 UJOWJBBNOUFYQS-QFEZKATASA-N 414.469 2.551 50 40 HFGB O=C(COc1ccc([N+](=O)[O-])cc1Br)N/N=C/c1ccc(C(=O)O)cc1 918923 KWPPGIJTDFCEIZ-QGMBQPNBSA-N 422.191 2.585 50 40 HFGB O=C(COc1ccccc1)NNC(=O)COc1ccc(Cl)cc1Br 5774603 VRDDQLKSKZDVFI-UHFFFAOYSA-N 413.655 2.708 50 40 HFGB CCOc1cc(C(=O)NNS(=O)(=O)c2ccc(C)cc2)cc(OCC)c1OCC 12757783 VBJHBUSAXGNSEG-UHFFFAOYSA-N 422.503 2.814 50 40 HFGB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=N/NC(=O)COc1cccc2cccnc12 408740716 LWHDRWGSTRLGCU-QJTDOHDFSA-N 401.426 2.755 50 40 HFGB CN(C)c1cccc(OCC(=O)N/N=C\c2cccn2-c2ccc(C(=O)O)cc2)c1 409234611 ODHOXMBSEFDRRP-UCQKPKSFSA-N 406.442 2.771 50 40 HFGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccs1)c1cccc(Cl)c1Cl 2085042 ZHKLRMPAMKGNCM-CAOOACKPSA-N 406.316 2.971 50 40 HFGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2Br)ccc1O 4698923 LXLUDYRBMBEWFY-VXLYETTFSA-N 406.236 2.642 50 40 HFGB Cc1ccc(OCC(=O)N/N=C2\C(=O)Nc3ccc(Br)cc32)cc1C 5518466 OSYXHTXEZJKYPA-UHFFFAOYSA-N 402.248 2.917 50 40 HFGB COc1ccc(N(CC(=O)NN=C(C)C)S(=O)(=O)c2ccc(C)cc2)cc1OC 19816829 LUVXXZBKNHWPFK-UHFFFAOYSA-N 419.503 2.720 50 40 HFGB NNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Br)cc1 36724744 BMTDBJWTCBHEHK-UHFFFAOYSA-N 404.293 2.779 50 40 HFGB COC(=O)c1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3SC(C#N)=C(N)N32)cc1 408606090 NTXCRHOMLVFWBH-MRXNPFEDSA-N 412.471 2.810 50 40 HFGB CN(C)c1ccc(-n2cccc2/C=N\NC(=O)COc2ccccc2[N+](=O)[O-])cc1 408952174 KVLNXYZVGILULQ-HMAPJEAMSA-N 407.430 2.981 50 40 HFGB COc1ccccc1Nc1nnc(SCC(=O)NNC(=O)c2cccs2)s1 9507681 LKJZULMHLBETOB-UHFFFAOYSA-N 421.529 2.905 50 40 HFGB CN(CC(=O)N/N=C/c1cccc(F)c1)S(=O)(=O)c1cc(Cl)ccc1Cl 16187045 QCQQHPGPHADGDK-AWQFTUOYSA-N 418.277 2.903 50 40 HFGB CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cc(OC)ccc3OC)[C@H]2C1 662447 CRPJFFCFQDTCKF-FPOVZHCZSA-N 403.486 2.839 50 40 HFGB CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)c2c(NC(=O)CCl)scc12 4121275 MANKMOIQCFFBCJ-UHFFFAOYSA-N 409.826 2.940 50 40 HFGB COc1cc2c(cc1OC)C1=C[C@@]3(C(=O)Nc4ccccc43)C(C#N)=C(N)N1CC2 5427892 YTBSSZXJJLXCIE-QHCPKHFHSA-N 400.438 2.500 50 40 HFGB CC(C)(C)[C@H]1CCc2sc(C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)cc2C1 14066046 BLWFANKQNDCUOM-HNNXBMFYSA-N 424.530 2.950 50 40 HFGB O=C(N/N=C/c1cc(Br)c(I)o1)c1ccncc1 408856132 AZUHEUKEHNDOQH-GIDUJCDVSA-N 420.004 2.806 50 40 HFGB COc1cccc(CC(=O)N/N=C\c2cc([N+](=O)[O-])cc(Br)c2O)c1 409098628 OLUUOBNOIHAIQW-NVMNQCDNSA-N 408.208 2.764 50 40 HFGB Cc1ccc(NCC(=O)N/N=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1C 4119033 WOJVMFPEVOEQFR-YDZHTSKRSA-N 411.462 2.610 50 40 HFGB C[C@@H](OC(=O)/C(C#N)=C/c1ccc(N(C)C)cc1)C(=O)NCc1ccc2c(c1)OCO2 4894443 COSJPAQLQKYMQX-BFERYNQYSA-N 421.453 2.636 50 40 HFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(Cl)cc1Cl)Cc1ccccc1 6584671 QVOFTALXHCLXMO-KEBDBYFISA-N 414.314 2.905 50 40 HFGB CC(C)(C)OC(=O)Nc1ccc(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 12992960 FUYGZSWXMUBDGR-QGZVFWFLSA-N 413.430 2.635 50 40 HFGB C=CCNc1sc2c3c(c(=O)[nH]c2c1C#N)[C@H](c1cccnc1)C(C#N)=C(N)O3 15085074 IIANLUCUNMLVCO-CYBMUJFWSA-N 402.439 2.672 50 40 HFGB O=C(NNC(=S)NC(=O)c1ccc(-c2cccc(Cl)c2)o1)c1ccncc1 32118988 SBHPSIZTOWWLJB-UHFFFAOYSA-N 400.847 2.944 50 40 HFGB N#Cc1ccccc1OCC(=O)NNC(=O)c1cc(Br)ccc1Cl 6790460 JYCCVSGTQFVTCX-UHFFFAOYSA-N 408.639 2.814 50 40 HFGB O=C(NNC(=O)c1ccccc1F)c1ccc(-n2cc(Br)cn2)cc1 40086511 WQKYNFGHSWOCAR-UHFFFAOYSA-N 403.211 2.849 50 40 HFGB N[C@H](Cc1ccc(O)cc1)C(=O)N/N=C\c1ccc(N(CCCl)CCCl)cc1 73061949 WBMLOIZUPQOBPX-QHSFOXILSA-N 423.344 2.696 50 40 HFGB CCOC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc(OC)cc1OC 408605724 MXATYEQCJGWJQF-MRXNPFEDSA-N 400.460 2.652 50 40 HFGB COc1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])cc(Br)c2O)c(O)c1 409392537 QFSVQVVBKBBZFY-REZTVBANSA-N 410.180 2.541 50 40 HFGB COCCCNC(=O)/C(C#N)=C1\N=C(NC(=O)c2ccc(C)cc2)c2ccccc21 2438518 OSGWCHJPZHOACQ-VXPUYCOJSA-N 402.454 2.573 50 40 HFGB CCCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(C)c(C)c2)c1 6428399 AJCOTRMJIORCRO-AFUMVMLFSA-N 424.501 2.687 50 40 HFGB N#CC1=C(SCC(=O)NC[C@@H]2CCCO2)NC(=O)C[C@@H]1c1ccc(Cl)cc1 6495443 QWNIZNMAIHYKPL-LSDHHAIUSA-N 405.907 2.707 50 40 HFGB COc1ccc(C(=O)NNC(=O)c2csc(COc3ccc(F)cc3)n2)cc1 12895079 RQPVLXQYPKNJNT-UHFFFAOYSA-N 401.419 2.945 50 40 HFGB COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2)cc(Br)c1O 409155091 BMZBXZLVYKZIGO-DJKKODMXSA-N 406.236 2.561 50 40 HFGB COc1cccc(N2C(=O)[C@H](Cc3cccc([N+](=O)[O-])c3)S/C2=C(/C#N)C(N)=O)c1 1859025 SXDWRIXLBRUPNV-IMGOXIFKSA-N 424.438 2.515 50 40 HFGB Cc1ccc(NC(=S)NNC(=O)[C@@H](C)Cn2cc(Br)cn2)c(C)c1 2795340 JURBPQJVFQKMPQ-LBPRGKRZSA-N 410.341 2.916 50 40 HFGB COc1ccc(S(=O)(=O)NNC(=O)c2sc(-c3ccccc3)nc2C)cc1 7387366 CFNYWJSHYMHAGA-UHFFFAOYSA-N 403.485 2.750 50 40 HFGB Cc1cccnc1N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O 245230817 ZKYAEZPVIQTARD-UCFKJQRDSA-N 414.097 2.672 50 40 HFGB N#C/C(=C\c1c(Oc2ccccc2)nc2ccccn2c1=O)C(=O)NC[C@@H]1CCCO1 2415577 HQRLEJUCJIDULP-QCUIPMNBSA-N 416.437 2.689 50 40 HFGB CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)NC(=O)NCc2ccccc2)c1C 3385517 SICBYCMRGZNBPP-UDWIEESQSA-N 422.485 2.991 50 40 HFGB C/C(=N\NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccccc1N 5692701 ZOPJJNDRWKNMAD-PXLXIMEGSA-N 400.504 2.597 50 40 HFGB CC(=O)N[C@@H](CC(=O)NNC(=O)c1ccc(Br)s1)c1ccccc1 8421266 KOCAKYWJQXSZBJ-LBPRGKRZSA-N 410.293 2.539 50 40 HFGB C[C@@](CC(=O)NNC(=O)c1ccccc1Br)(C(=O)O)c1ccccc1 13255341 RSWNIWFZYXTVFQ-SFHVURJKSA-N 405.248 2.643 50 40 HFGB C/C(CC(=O)Nc1ccccn1)=N\NC(=O)c1ccc(I)cc1 13549974 GALPOLAZPHVKQG-RGVLZGJSSA-N 422.226 2.821 50 40 HFGB COc1cc(OC)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)c2ccccc2C3=O)cc1OC 20086667 OHGMBXCOKAZLIW-GOSISDBHSA-N 418.405 2.853 50 40 HFGB Cc1ccnc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)c1 245230481 SMKAHUWIHPYMHD-IEOIMIPYSA-N 414.097 2.672 50 40 HFGB CC(C)[C@@H](Br)C(=O)Nc1cc2c(cc1Br)n(C)c(=O)n2C 408536788 YCAKHPUURYUIBO-GFCCVEGCSA-N 419.117 2.998 50 40 HFGB CCOc1ccccc1N(CC(=O)N/N=C/c1cccc(Cl)c1)S(C)(=O)=O 408768336 WIHDKYNMYPBYOL-UDWIEESQSA-N 409.895 2.655 50 40 HFGB CC(C)(C)OC(=O)COc1ccc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)cc1 408841191 JLHLQJDNJZGFRL-DOUQRPAJSA-N 412.442 2.697 50 40 HFGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1cc2c(cc1Br)OCO2 2740214 YLRVHRMFXSHZTB-QGMBQPNBSA-N 406.192 2.779 50 40 HFGB Cc1cccc(OCC(=O)N/N=C2/C(=O)Nc3ccc(Br)cc32)c1C 5520382 MFGNJCUIXYKWIP-UHFFFAOYSA-N 402.248 2.917 50 40 HFGB COc1cc(C(=O)N/N=C/c2ccc(C(=O)O)cc2)ccc1I 13896251 OIQQJLLNRDEBMC-GIJQJNRQSA-N 424.194 2.762 50 40 HFGB Cc1ccc(S(=O)(=O)N[C@H](C(=O)N/N=C/c2ccc(N(C)C)cc2)C(C)C)cc1 408764226 QUPCHZZKWRZDPT-ISXGRJCASA-N 416.547 2.514 50 40 HFGB COc1cc(OC)cc(C(=O)N2CCC(C(=O)N/N=C/c3ccc(F)cc3)CC2)c1 1095098 LDPJHTGQEQIZMZ-ZVHZXABRSA-N 413.449 2.845 50 40 HFGB O=C(CSc1nnc(Cc2ccccc2)[nH]1)NNC(=O)c1ccc(Cl)cc1 7604823 MWLJUHCQWIJEHN-UHFFFAOYSA-N 401.879 2.602 50 40 HFGB C/C(=N\OCC(=O)N/N=C1/C(=O)Nc2ccc(Br)cc21)c1cccs1 9183532 WHXUBBWXARBQTC-ZVBGSRNCSA-N 421.276 2.724 50 40 HFGB C=CCN1C(=O)/C(=N\NC(=O)c2ccccc2O)c2cc(Br)ccc21 18266021 GHLBDTOGYIEAFF-SILNSSARSA-N 400.232 2.821 50 40 HFGB N#CC1=C(N)N=C(SCC(=O)OCc2ccccc2)[C@H](C(N)=O)C12CCCCC2 21577941 YJERNKHLHXVFDI-KRWDZBQOSA-N 412.515 2.621 50 40 HFGB Cc1ccc(C(=O)NNC(=O)c2nc(-c3ccccc3)oc2N2CCOCC2)cc1 41154308 BPEBNIHSDURAGP-UHFFFAOYSA-N 406.442 2.561 50 40 HFGB COc1cc(/C=N/NC(=O)c2ccc(F)cc2)cc(I)c1O 43776236 ZDIJATANPRODOS-QGMBQPNBSA-N 414.174 2.908 50 40 HFGB Cc1ccc(-n2nc(C(=O)N/N=C/c3ccccn3)c(C)c(C#N)c2=O)cc1Cl 409060363 QYMJCLUOBYWHAA-BHGWPJFGSA-N 406.833 2.533 50 40 HFGB Cc1ccc(-c2c(C(=O)N/N=C/C=C/c3ccccc3)nnn2-c2nonc2N)cc1 5047468 IZJHVXXZDLVGCV-PBWYYWLFSA-N 414.429 2.637 50 40 HFGB COc1cccc(/C=N/NC(=O)C2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)c1O 5559070 ZQIDHBHPQXHLAO-LPYMAVHISA-N 412.446 2.671 50 40 HFGB CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(Br)s3)[C@@H]2C1 19816494 XWHGWLWVQHNFFY-DOMZBBRYSA-N 400.305 2.866 50 40 HFGB COc1ccc(N(CC(=O)N/N=C(\C)CCc2ccccc2)S(C)(=O)=O)cc1 20060442 VWVIRPAESDYGEZ-LTGZKZEYSA-N 403.504 2.586 50 40 HFGB O=C(CCl)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Cl)c1Cl 101311966 AZWIGSRBSFXKQS-QREGOYGKSA-N 413.735 2.834 50 40 HFGB COc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)cc1 408771277 GIUBAWVILAKRBZ-RGVLZGJSSA-N 409.895 2.573 50 40 HFGB COc1cccc(C(=O)N2CCC(C(=O)N/N=C/c3ccc(N(C)C)cc3)CC2)c1 1103060 VRZRLZAZJWAFQS-LFVJCYFKSA-N 408.502 2.764 50 40 HFGB Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2ccncc2)c2ccccc2)cc1 408981725 WKWITIXKLMFRED-KCOUNZPASA-N 422.510 2.950 50 40 HFGB Cc1cc(Br)ccc1OCC(=O)NNC(=O)c1ccccc1[N+](=O)[O-] 724171 JMTUIPZZIJHCKR-UHFFFAOYSA-N 408.208 2.506 50 40 HFGB COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(Br)cc2)c1OC 5514898 QSIDOMRUWWCUQX-VXLYETTFSA-N 406.236 2.555 50 40 HFGB O=C1N(CN2CCN(c3ccccc3)CC2)c2ccccc2[C@]12OC[C@H](CCl)O2 16489099 HPBCMYWTBUQHOX-PGRDOPGGSA-N 413.905 2.620 50 40 HFGB O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)c1c[nH]c(=O)c(Br)c1 78877944 DOWRVSATCZLQMZ-UHFFFAOYSA-N 408.296 2.505 50 40 HFGB O=C(NN[C@H]1CC(=O)N(CCc2ccccc2)C1=O)c1ccc(Cl)cc1Cl 102314228 HJRUMPFMNHBPEL-INIZCTEOSA-N 406.269 2.598 50 40 HFGB COC(=O)[C@]12[C@H]3[C@H]4[C@@H](Br)CC[C@@H]4[C@H]4[C@@H]3[C@H]3[C@H]5[C@@H]6[C@@H](CC[C@H]6OC(=O)[C@@]451)[C@H]32 104287282 RLBISQVPNQCBJV-ILCDBLJDSA-N 419.315 2.639 50 40 HFGB O=C(COc1cccc(Br)c1)NNC(=S)NCCCc1ccccc1 408588863 ZVHOOAPUUSKICW-UHFFFAOYSA-N 422.348 2.956 50 40 HFGB O=C(Cc1nnc(NC(=O)c2ccccc2)s1)N/N=C/c1c[nH]c2ccccc12 806046 DWJQTVSKTZGWLA-WSDLNYQXSA-N 404.455 2.965 50 40 HFGB O=C(Nc1ccccc1)Nc1snnc1C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 1812933 JCAHVAOVQLTOAY-VCHYOVAHSA-N 411.403 2.854 50 40 HFGB O=C(COc1cc(Cl)ccc1Cl)N/N=C1/C(=O)Nc2ccc([N+](=O)[O-])cc21 4724323 QYTRZLRWNUQQSO-UHFFFAOYSA-N 409.185 2.753 50 40 HFGB Cc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(F)cc2)cc1Br 12289529 SMSOWBFXFNIAMO-UHFFFAOYSA-N 410.268 2.846 50 40 HFGB CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NNC(=O)c2ccccc2-n2cccc2)C1 17363620 DOPWDCYGEYJXTD-INIZCTEOSA-N 412.490 2.885 50 40 HFGB O=C(N/N=C/c1ccccc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 59953092 KPGNBZSUJPMHQJ-KGENOOAVSA-N 405.907 2.891 50 40 HFGB CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2Cl)cc1 223156485 GWMQARWVELZZJQ-JMIUGGIZSA-N 418.793 2.514 50 40 HFGB Cc1cccc(C(=O)NNC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)c1 408615878 UBZBPYYOSAURMO-CQSZACIVSA-N 416.275 2.572 50 40 HFGB CC(C)CNC(=O)C(=O)N/N=C/c1cc(Br)ccc1NCc1ccco1 9235513 DEIGNAQSUMWCHH-LSHDLFTRSA-N 421.295 2.877 50 40 HFGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 6221466 RUPIDPGKTCEJOG-FYJGNVAPSA-N 411.418 2.865 50 40 HFGB Cc1ccc(N2C[C@@H](C(=O)NNC(=O)c3ccccc3Br)CC2=O)cc1 8204414 HOVBCOPGFDXELQ-ZDUSSCGKSA-N 416.275 2.572 50 40 HFGB CN1/C(=C\C=N\NC(=O)Cn2nnc(-c3ccccc3)n2)C(C)(C)c2ccccc21 12563267 NZGAMNZTUSAPEM-UHKUBQJDSA-N 401.474 2.754 50 40 HFGB Cc1ccccc1N1C(=O)c2ccc(C(=O)NNC(=O)c3ccccc3O)cc2C1=O 14229653 UYSSRLUFVIWFMC-UHFFFAOYSA-N 415.405 2.576 50 40 HFGB Cc1ccc(C(=O)NNC(=O)c2cc(Br)c(Br)n2C)cc1 24745591 LWQSAOWRURXUHI-UHFFFAOYSA-N 415.085 2.933 50 40 HFGB CCOc1ccc(-n2nc(C(=O)N/N=C\c3ccc(F)cc3)c(C)c(C#N)c2=O)cc1 409060834 YLTCFCZGGBOXOG-MXAYSNPKSA-N 419.416 2.714 50 40 HFGB Cc1[nH]nc(-c2ccc(OCC(=O)NN)cc2O)c1-c1ccc(Br)cc1 9130648 BASYPWBCPYHPKK-UHFFFAOYSA-N 417.263 2.889 50 40 HFGB Cc1ccc(C(=O)[C@H](C)OC(=O)[C@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)cc1 408685640 PPJCYNNADRKADN-WCFXQRFOSA-N 407.260 2.680 50 40 HFGB COc1ccc(C)cc1N(CC(=O)N/N=C(\C)c1ccc(C)cc1)S(C)(=O)=O 408766705 FJLBWUVFLIYBFW-LTGZKZEYSA-N 403.504 2.618 50 40 HFGB CCOc1cc(C(=O)N/N=C\c2ccc(OCC(=O)O)c(OCC)c2)ccc1OC 409313379 OKGABQLDCVOJBO-UUYOSTAYSA-N 416.430 2.720 50 40 HFGB O=C(N/N=C/c1cccc(O)c1O)c1ccccc1NS(=O)(=O)c1cccs1 9634881 JOTFMBYVMADNTA-YBFXNURJSA-N 417.468 2.724 50 40 HFGB Cc1ccc(O[C@H](C)C(=O)NNC(=O)c2ccccc2I)cc1 12292632 SUCFXCGBJTWJSV-GFCCVEGCSA-N 424.238 2.828 50 40 HFGB Cc1cccc(N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)n1 100567688 BFBQOWQCOPVYPS-MBBWPEKLSA-N 414.097 2.672 50 40 HFGB COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(C[C@H]4CCCO4)c(=O)c32)cc1OC 1476105 NXWOKGMJJYVALM-QRWLVFNGSA-N 423.469 2.571 50 40 HFGB CCn1c(SCC(=O)N/N=C/c2ccco2)nnc1-c1ccc(OC)c(OC)c1 1477921 WENRLFRPBRNNOO-RGVLZGJSSA-N 415.475 2.818 50 40 HFGB Cc1cc2c(c(=O)n1Cc1ccco1)[C@H](c1ccc([N+](=O)[O-])cc1)C(C#N)=C(N)O2 2360871 KGMHNVKHGYKEPG-GOSISDBHSA-N 404.382 2.924 50 40 HFGB Cc1ccc(/C=c2\sc3n(c2=O)C(N)=C(C#N)[C@H](c2ccc(C)s2)C=3C#N)s1 3072665 ANKOLQZAWULFMW-UGIZUQJLSA-N 422.560 2.601 50 40 HFGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1-c1ccccc1)c1ccc(Cl)cc1 8404789 ZTGCJCOUXXTUJT-SSDVNMTOSA-N 422.836 2.707 50 40 HFGB O=C(NNC(=O)c1ccccc1Cl)c1ccc(CS(=O)(=O)c2ccccc2)o1 10735914 RLCSWHUPWOWAAS-UHFFFAOYSA-N 418.858 2.982 50 40 HFGB C[C@H]1CN(C(=O)/C(C#N)=C2\N=C(NC(=O)c3ccccc3)c3ccccc32)C[C@@H](C)O1 13541139 LPQJIEMCSAPDGM-SKRHAUIRSA-N 414.465 2.747 50 40 HFGB CCCN1CC=C2[C@H](C1)[C@@H](c1ccc(C(=O)OC)cc1)C(C#N)=C(N)C2(C#N)C#N 20026593 USDIPFAPKZSUDR-ICSRJNTNSA-N 401.470 2.609 50 40 HFGB CSc1ccc(/C=N/NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc1 20209366 MYPBQRDIVUCLIH-YBFXNURJSA-N 411.936 2.978 50 40 HFGB COc1ccc(N(CC(=O)NN=C2CCCCCCC2)S(C)(=O)=O)cc1OC 20211319 RWCGTCVCRRGLBP-UHFFFAOYSA-N 411.524 2.686 50 40 HFGB CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N(CCO)C(=O)C(C#N)=C3C)o2)cc1 96193218 XYOKQYMGHYWQRJ-LDADJPATSA-N 420.421 2.708 50 40 HFGB C[C@@H]1C[C@H]2C(=C3[C@@H]([C@@H]4C=C[C@@H]3[C@H]3C(=O)OC(=O)[C@H]43)[C@H]3C(=O)OC(=O)[C@H]23)c2ccccc21 104237369 ZLBYVLODINZAKY-DNFBATOHSA-N 416.429 2.641 50 40 HFGB COc1cc(N2CCOCC2)ccc1/C=N/NC(=O)COc1cccc2cccnc12 409230342 CCJDKHBNBRNFIH-MFKUBSTISA-N 420.469 2.609 50 40 HFGB O=C(COc1ccc(Cl)cc1Cl)NNC(=O)c1cc2ccccc2oc1=O 1064038 DZVMRTUBAQRLKS-UHFFFAOYSA-N 407.209 2.940 50 40 HFGB COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccnc4)c32)cc1OC 8565689 TWVWUMKSPFOUJY-KRWDZBQOSA-N 405.414 2.716 50 40 HFGB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)c3ccco3)c2)c(C)c1 12535980 LNSDJWHCQBCBSR-UHFFFAOYSA-N 413.455 2.772 50 40 HFGB Cc1ccc(NC(=O)CSC2=NC(N)=C(C#N)C3(CCCCC3)[C@@H]2C(N)=O)cc1 25764452 OVJOEKIWPPQKEY-QGZVFWFLSA-N 411.531 2.825 50 40 HFGB CCn1nc(C(=O)NNC(=O)CCc2ccc(C(C)C)cc2)c2ccccc2c1=O 40142828 UOWYXBCOCJLXPN-UHFFFAOYSA-N 406.486 2.934 50 40 HFGB Cc1ccc(N2C(=O)NC(=O)[C@H](/C=N/NC(=O)c3cccc4ccccc34)C2=O)cc1 408535979 PIZLUJLHNSRHIN-BBMHEYIBSA-N 414.421 2.763 50 40 HFGB O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)N/N=C/c1ccncc1 408873705 WJQBGMQVIQXXCJ-OEAKJJBVSA-N 412.446 2.566 50 40 HFGB C=CCOc1c(Br)cc(/C=N/NC(=O)CC2(C)OCCO2)cc1OC 5853135 JRMPBUZMFJIMKU-YBFXNURJSA-N 413.268 2.626 50 40 HFGB COc1ccccc1NC(=O)NNC(=O)c1ccc(=O)n(Cc2ccc(C)cc2)c1 23136181 LUIHSSDTISAEQM-UHFFFAOYSA-N 406.442 2.680 50 40 HFGB COc1ccc(/C=N/NC(=O)CSCc2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-] 408728316 ZRARSXMFWYHOPR-GIJQJNRQSA-N 404.404 2.895 50 40 HFGB CCn1c(SCC(=O)N/N=C/c2ccc(O)c(O)c2)nnc1-c1ccc(C)cc1 1474300 FIERECMNOKXCKW-SRZZPIQSSA-N 411.487 2.927 50 40 HFGB O=C(N/N=C/c1cccc([N+](=O)[O-])c1)C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 6220905 MTRHSKPENAANRD-FYJGNVAPSA-N 411.418 2.865 50 40 HFGB CCOc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)ccc1O[C@H](C)C(=O)O 13546762 PUOZWBXXTUVIGY-ZICWZVMQSA-N 401.375 2.609 50 40 HFGB COCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H](Cc2ccccc2)C(=O)OC)c1C 25065526 JQOMAGPSWGDQQQ-JCZXDDDQSA-N 409.486 2.559 50 40 HFGB O=C(CCl)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1c(Cl)cccc1Cl 101303892 NPSZNSAWIDTEEQ-GFPIWLQPSA-N 413.735 2.834 50 40 HFGB O=C(N/N=C/[C@H]1C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O)c1ccc(Cl)cc1 408532604 ILHHWWOFMFABTF-SLSPDHCBSA-N 419.224 2.608 50 40 HFGB COc1cc(/C=N\NC(=O)COc2cccc(Cl)c2)ccc1O[C@H](C)C(=O)O 409015239 AYJGHISVFUFJKG-RRSAXVHRSA-N 406.822 2.730 50 40 HFGB COc1ccc(OC)c(/C=N/NC(=O)c2ccn(Cc3ccc([N+](=O)[O-])cc3)n2)c1 1089337 WCFHYWCKSYHXKX-CIAFOILYSA-N 409.402 2.621 50 40 HFGB O=C(NNS(=O)(=O)c1cccc(Br)c1)c1cc2c(s1)CCC2 7379749 KBXSPLXHOXMNET-UHFFFAOYSA-N 401.307 2.623 50 40 HFGB COc1ccc(N2N=C(C)/C(=C(\C)NNC(=O)c3cc(OC)cc(OC)c3)C2=O)cc1 103916686 GIYVZCGFKYBBEL-MOSHPQCFSA-N 424.457 2.644 50 40 HFGB COc1cccc(/C=N/NC(=O)CCCCC(=O)N/N=C/c2cccc(OC)c2)c1 4401940 VCQOJSHUAUMMTK-DFEHQXHXSA-N 410.474 2.865 50 40 HFGB Cc1ccccc1N1C[C@@H](C(=O)NNC(=O)c2ccc(Br)cc2)CC1=O 408638996 DSLCIPHHPISEGD-AWEZNQCLSA-N 416.275 2.572 50 40 HFGB C=CCOc1ccc(Br)cc1/C=N/NC(=O)CNC(=O)c1ccccc1 408819112 ZMYKWXZMBKQZHZ-WSDLNYQXSA-N 416.275 2.894 50 40 HFGB COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(C[C@@H]4CCCO4)c(=O)c32)cc1OC 1476107 NXWOKGMJJYVALM-YWZLYKJASA-N 423.469 2.571 50 40 HFGB CCn1c(SCC(=O)NNC(=O)c2ccc(F)cc2)nnc1-c1cccs1 2628123 AIVMDSOZDMWUQO-UHFFFAOYSA-N 405.480 2.719 50 40 HFGB Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)Cn1ccc(C(F)(F)F)n1 6509316 SAANUOVREDTFOW-UHFFFAOYSA-N 409.393 2.795 50 40 HFGB C=CCOc1ccc([C@@H]2[C@@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC 12292259 LGBWCQFWJNDJQO-WIYYLYMNSA-N 401.470 2.615 50 40 HFGB O=C(COCC(=O)N/N=C\c1ccccc1Cl)N/N=C\c1ccccc1Cl 31723756 DGKNSAAEMLKUIJ-KGIZCEIGSA-N 407.257 2.610 50 40 HFGB COc1cc2c(cc1/C=N\NC(=O)c1cc3cc([N+](=O)[O-])cc(OC)c3o1)OCO2 409074174 KSINNOLGTAXISE-ZBKNUEDVSA-N 413.342 2.851 50 40 HFGB O=C(CNc1ccc(Br)cc1)N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2 409362059 SDHIBRGBWYLJQG-FBCYGCLPSA-N 421.207 2.648 50 40 HFGB O=C(CSc1ccc2c(c1)OCCO2)NNC(=O)c1ccc(Br)cc1 3605554 HHQGIQMJHIWQPA-UHFFFAOYSA-N 423.288 2.774 50 40 HFGB O=C(NN/C=C1/C(=O)N(c2ccc(Cl)cc2)C(=S)N=C1O)c1ccccc1 4811640 RGJSXDQGCYWSMX-GXDHUFHOSA-N 400.847 2.747 50 40 HFGB CCOC(=O)C1=C(C)S/C(=C/C(C#N)=C(\N)N2CCN(c3ccccc3)CC2)C1=O 1305561 MZQVDJJJMHPOQN-HIBZKQORSA-N 424.526 2.539 50 40 HFGB N#C/C(=C\Nc1ccc(S(=O)(=O)N=C(N)N)cc1)c1nc(-c2ccccc2)cs1 2197668 ORVWNBOWFRDGIN-SDNWHVSQSA-N 424.511 2.749 50 40 HFGB Cc1ccc(C(=O)NNC(=O)[C@@H]2Cc3ccccc3CN2C(=O)c2ccco2)cc1 2639413 DMGTXZSTJATSAM-IBGZPJMESA-N 403.438 2.616 50 40 HFGB CC(C)c1ccc(N2C(=O)/C(=C\NNC(=O)c3ccncc3)C(O)=NC2=S)cc1 34236640 KPWOUBXGAOEAPK-WJDWOHSUSA-N 409.471 2.612 50 40 HFGB O=C(CN1CCN(C(=O)c2ccco2)CC1)NN(Cc1ccccc1)c1ccccc1 36075090 GWNGNZYYHYQDFL-UHFFFAOYSA-N 418.497 2.775 50 40 HFGB CC(C)c1nc(C#N)c(NNC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)o1 69980351 KDUUFHYSFLXVKT-UHFFFAOYSA-N 414.443 2.993 50 40 HFGB CCOc1ccc(/C=N/NC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)cc1 408906543 GZMGOBUSHWJYRJ-FYJGNVAPSA-N 403.504 2.618 50 40 HFGB Nc1ccc(C(=O)N/N=C/c2sc(N3CCOCC3)nc2-c2ccccc2)cc1 2645556 OJHNAPMDUGXXLJ-OEAKJJBVSA-N 407.499 2.993 50 40 HFGB O=C(COC(=O)c1cc2c(s1)CCCCC2)NNC(=O)c1ccc([N+](=O)[O-])cc1 8075147 KMFIHEUQWQYNDW-UHFFFAOYSA-N 417.443 2.543 50 40 HFGB COc1ccc(N([C@@H](C)C(=O)N/N=C(\C)c2ccc(C)cc2)S(C)(=O)=O)cc1 19953695 NUZXEXSKIBIYRG-WASCAKKMSA-N 403.504 2.699 50 40 HFGB O=C1[C@@H]2[C@@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C(=O)N1c1cccc(O)c1 100749089 LIAJPCACUBPKDT-QFHDERPTSA-N 415.081 2.675 50 40 HFGB Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1ccc(N(C)C)cc1)S(C)(=O)=O 408778725 XPXBOQYRYLKMAY-CIAFOILYSA-N 422.938 2.631 50 40 HFGB Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)CCC(=O)NCc2ccccc2)c1 6029082 VWFKIHSKDWDRCS-UHFFFAOYSA-N 411.502 2.741 50 40 HFGB Cc1ccccc1Nc1ccc(C(=O)O)cc1/C=N/NC(=O)C(=O)NCc1ccco1 408708948 VOSJHFZSDXJVSN-WYMPLXKRSA-N 420.425 2.796 50 40 HFGB CCOC(=O)COc1ccc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc1OC 408807517 DBXDEHIXMWXBQS-WQRHYEAKSA-N 424.453 2.869 50 40 HFGB N#C/C(=C\c1cc(Cl)c(O)c(Cl)c1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 778224 QSFDLTVQHGMKBT-BJMVGYQFSA-N 412.254 2.892 50 40 HFGB Cc1ccccc1OCC(=O)NNC(=O)CCC(=O)Nc1cccc(Cl)c1C 2132232 QKQGCVZOWLGIHD-UHFFFAOYSA-N 403.866 2.902 50 40 HFGB O=C(Oc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1ccco1)c1ccc2c(c1)OCO2 108186315 DVQSTXCDERWSKE-FBHDLOMBSA-N 423.337 2.900 50 40 HFGB CC(C)OC(=O)c1ccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)cc1 408686675 NLYODNBOZSEBPZ-ODICJLLRSA-N 422.275 2.761 50 40 HFGB COc1cc(/C=N/NC(=O)c2ccco2)cc(I)c1OC 408761393 JRIPGSAQKOEBRS-LZYBPNLTSA-N 400.172 2.665 50 40 HFGB COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc([N+](=O)[O-])c1O 408789641 NOMGJRVNSOGTDN-WJDWOHSUSA-N 408.414 2.565 50 40 HFGB CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cc4c(cc3Cl)OCO4)[C@H]2C1 33351995 SHTZBCISEYFJEY-KXBFYZLASA-N 407.861 2.814 50 40 HFGB N#C/C(=C/c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1)C(=O)NC1CCCCC1 408851020 UOPGYXCMAFFEKE-SSZFMOIBSA-N 420.469 2.890 50 40 HFGB COc1cc(/C=N/NC(=O)C[C@@H]2CCS(=O)(=O)C2)ccc1OCc1ccccc1 2887181 AVRRGSMHSDNNTF-ZFJBLLOBSA-N 416.499 2.549 50 40 HFGB CC(C)(OC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32)C(=O)c1ccccc1 408685080 ONRAGMRPHNTMRM-JNWWKETESA-N 407.260 2.762 50 40 HFGB O=C(COc1ccccc1C(=O)N/N=C/c1ccccc1)N/N=C/c1ccccc1 705394 RPCMCAKBNDFXSM-FEZYOMQXSA-N 400.438 2.980 50 40 HFGB COc1cc(/C=N/NC(=O)COc2ccc(Br)cc2C#N)ccc1O 973703 NAHBVAQOXKLOHR-AWQFTUOYSA-N 404.220 2.564 50 40 HFGB O=C(CN1CC=C(c2ccccc2)CC1)NNC(=O)c1ccc(Br)cc1 6639331 HFROUHFEFPUYEI-UHFFFAOYSA-N 414.303 2.999 50 40 HFGB CN(NC(=O)CCn1cnc2ccc(Br)cc2c1=O)c1ccccc1 12824422 YPOJAFBIOLVOQY-UHFFFAOYSA-N 401.264 2.717 50 40 HFGB C=C1C(=O)O[C@@H]2/C=C(\COC(C)=O)CC/C=C(\C=O)C[C@@H](OC(=O)CC(C)C)[C@@H]12 100064104 SLDSEAYVUCFJOD-LNZAYKIHSA-N 404.459 2.841 50 40 HFGB biogenic,in-vitro COc1cc(OC)cc(C(=O)N/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)c1 108052061 SYJWWJLBOZEITF-QGMBQPNBSA-N 424.207 2.844 50 40 HFGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)NCc3cccnc3)c2C)cc1C 408884613 UQEQVCGDNYISTC-VULFUBBASA-N 403.486 2.872 50 40 HFGB COc1cccc(/C=N/NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)c1OC 409007146 TWGMQZFUYPBBAP-ZVHZXABRSA-N 413.449 2.845 50 40 HFGB COc1ccc(Br)cc1/C=N/NC(=O)COc1cccc([N+](=O)[O-])c1 919058 IGOQXLADFBOOQH-GIJQJNRQSA-N 408.208 2.895 50 40 HFGB COc1cccc(/C=N/NC(=O)CSc2nnc(-c3cccc(C)c3)n2C)c1O 2761901 RWOIYDZOYHXZEQ-SRZZPIQSSA-N 411.487 2.747 50 40 HFGB COc1ccc(NC(=O)C/C(C)=N/NC(=O)c2cccc(C)c2O)c([N+](=O)[O-])c1 4616561 MJSBJXXDSJMWEJ-CIAFOILYSA-N 400.391 2.752 50 40 HFGB N#CC1=C(N)N(c2cccnc2)C2=C(C(=O)CCC2)[C@@]12C(=O)Nc1ccc(F)cc12 4690225 CBERWPCEGNTHSL-QFIPXVFZSA-N 401.401 2.632 50 40 HFGB CCOC(=O)CN1C(=O)/C(=N\NC(=O)COc2ccc(C(C)C)cc2)c2ccccc21 5564614 CKVDUSRCXHDOMN-LVWGJNHUSA-N 423.469 2.619 50 40 HFGB Cc1oc(C)c(C(=O)NNC(=O)CN2CCCc3ccccc32)c1Br 84008218 MULMDISXCKVWJZ-UHFFFAOYSA-N 406.280 2.873 50 40 HFGB CS(=O)(=O)N(CCc1ccccc1)CC(=O)N/N=C\c1cccc2ccccc12 107652647 HMQYXYPTXVFZQH-KQWNVCNZSA-N 409.511 2.794 50 40 HFGB O=C(/N=C/c1cccc([N+](=O)[O-])c1)C1(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)CCC1 408718808 LHCIKOGAIZHAPF-ADYPVIEZSA-N 423.385 2.769 50 40 HFGB O=C(NNC(=O)c1cc2c(cc1Cl)OCCO2)c1ccc(Br)cc1 1103295 WPFLSKGALCSRFF-UHFFFAOYSA-N 411.639 2.949 50 40 HFGB COc1cccc(/C=N/NC(=O)COc2ccc([N+](=O)[O-])cc2Br)c1 3023164 MREQABPGJHNKBN-GIJQJNRQSA-N 408.208 2.895 50 40 HFGB CN(C1=NS(=O)(=O)c2ccccc21)N(C(=O)c1ccccc1)C(=O)c1ccccc1 3095328 RGCAPBUWBBSFQF-UHFFFAOYSA-N 419.462 2.965 50 40 HFGB COc1cc2c(cc1OC)[C@H](C1C(=O)CC(C)(C)CC1=O)N(C(=O)CCl)CC2 4730492 SMSLURGVGRUXEA-HXUWFJFHSA-N 407.894 2.943 50 40 HFGB COc1cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(OC)c1O 96453843 AAMQJIKEJAOTAF-IWIPYMOSSA-N 406.438 2.796 50 40 HFGB O=C(N/N=C1\C(=O)Nc2ccc(Br)cc21)/C(O)=C/C(=O)c1ccccc1 100532707 KKVNBCAIPMCVJH-DHDCSXOGSA-N 414.215 2.546 50 40 HFGB Nc1ccccc1C(=O)N/N=C/c1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1 409019444 JFRRVKMRXIRPIT-YDZHTSKRSA-N 413.430 2.940 50 40 HFGB O=C(NN=Cc1ccc(F)c(I)c1)c1ccn2ccnc2c1 725239931 ITMNRJWQPSQVDW-UHFFFAOYSA-N 408.174 2.842 50 40 HFGB CC1(C)C(C#N)=C(SCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)NC(=O)[C@H]1C#N 9253608 CASSJQSZVHSZAR-SNVBAGLBSA-N 419.850 2.951 50 40 HFGB Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N/N=C/c2ccccc2O)cc1 15229775 DDCJPRMMKUFDEB-KOMLCTQHSA-N 403.504 2.544 50 40 HFGB C#CCOc1c(I)cc(/C=C(/C#N)C(=O)NC(C)C)cc1OC 408790464 RSHKCTPZMONBEG-QPEQYQDCSA-N 424.238 2.743 50 40 HFGB C[C@H](C(=O)N/N=C/c1c(O)ccc2ccccc12)N(c1ccccc1)S(C)(=O)=O 5044956 QJLHDXBHZMZGGD-QQHUYRGFSA-N 411.483 2.850 50 40 HFGB CC(C)c1n[nH]c2c1[C@H](c1cccc(OC(=O)N3CCOCC3)c1)C(C#N)=C(N)O2 5067364 VDPBIFHDBGERIF-MRXNPFEDSA-N 409.446 2.582 50 40 HFGB O=C(N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2)C(O)(c1ccccc1)c1ccccc1 1083281 ZMIZYTNNVQOQKI-YDZHTSKRSA-N 419.393 2.710 50 40 HFGB COc1cc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)ccc1OC(=O)c1ccco1 3193358 ANPUJIUYAJLOHP-NVAXRVGSSA-N 422.393 2.798 50 40 HFGB Cc1cc(C)c(OCC(=O)N/N=C2/C(=O)Nc3ccccc32)c(Br)c1 5441949 XYUXXQBDQBSXFK-UHFFFAOYSA-N 402.248 2.917 50 40 HFGB Cc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2cccc(Br)c2)cc1 28617632 MDYQXJNFMITNLK-ODLFYWEKSA-N 424.320 2.528 50 40 HFGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2cccc(Cl)c2Cl)cc1OC 59444318 KLBHAUCLMYOCJO-FOKLQQMPSA-N 424.284 2.820 50 40 HFGB N#C/C(=C\c1ccc(OCC(N)=O)c(Br)c1)C(=O)Nc1ccccc1 409223150 HGKQTEMZSULBQX-MDWZMJQESA-N 400.232 2.859 50 40 HFGB CCOC(=O)CN1C(=O)/C(=C(\C#N)C(=O)Nc2ccccc2OC)c2ccccc21 409386852 GUWOXKJTWCZSER-HMMYKYKNSA-N 405.410 2.521 50 40 HFGB Cc1cc(I)cc(C)c1OCC(=O)N/N=C/c1ccncc1 880891 LQGWMAXBPYEMBX-DJKKODMXSA-N 409.227 2.832 50 40 HFGB Cc1cccc(-c2nnc(SCC(=O)NNC(=O)c3ccc(Cl)cc3)n2C)c1 924667 UKGPRBKHOQGYMY-UHFFFAOYSA-N 415.906 2.997 50 40 HFGB Cc1cccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)N3CCOCC3)cc2)c1 1098617 DEYGHIHBFDWPSU-XMHGGMMESA-N 405.454 2.778 50 40 HFGB COc1cccc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1OC 5721095 LYSBCIVMCWTBEC-DACUGSJHSA-N 401.850 2.860 50 40 HFGB Cc1cc(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c(C)n1-c1ccccc1F 25465166 ZHPJVAGQFGIWCC-FQEVSTJZSA-N 409.417 2.834 50 40 HFGB CCCOc1ccc(/C=N/NC(=O)C(=O)NCc2ccc(OC)cc2)cc1OCC 7869478 ZQBXCHIVTYZIQD-BUVRLJJBSA-N 413.474 2.649 50 40 HFGB CS(=O)(=O)N(CC(=O)N/N=C/c1c(O)ccc2ccccc12)c1ccccc1F 408783160 LPICQGXPJYWMBZ-WSDLNYQXSA-N 415.446 2.601 50 40 HFGB Cc1ccsc1/C=N/NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1 408988121 GYKYXTBMMGKNLY-TVSCDJBNSA-N 411.487 2.767 50 40 HFGB O=C(NN/C=C1/C(=O)N(c2ccccc2Cl)C(=S)N=C1O)c1ccccc1 1440203 IHEOXZDHYKRDIG-ZRDIBKRKSA-N 400.847 2.747 50 40 HFGB CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)OC)N=C(O)[C@@H]2C(=O)OC)cc1 2310596 NXIQDFDPUBDKJH-JKSUJKDBSA-N 404.444 2.570 50 40 HFGB CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cc4c(cc3Cl)OCO4)[C@H]2C1 4786144 SHTZBCISEYFJEY-HNAYVOBHSA-N 407.861 2.814 50 40 HFGB CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)ccc1OCC(N)=O 6595603 ZESIPMCKHHGPHW-DHRITJCHSA-N 421.453 2.875 50 40 HFGB CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NNC(=O)c2ccccc2-n2cccc2)C1 17363619 DOPWDCYGEYJXTD-MRXNPFEDSA-N 412.490 2.885 50 40 HFGB O=C(CCCOc1ccc(Cl)cc1Cl)N/N=C1\C(=O)N(CO)c2ccccc21 100466604 KERUWWNBRHXYCC-NKFKGCMQSA-N 422.268 2.969 50 40 HFGB Cc1ccnc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)c1 245230480 SMKAHUWIHPYMHD-DZRDUMEESA-N 414.097 2.672 50 40 HFGB COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)ccc1OCC(=O)O 408849839 ZTCNEZZOAQGAIV-YVLHZVERSA-N 419.437 2.906 50 40 HFGB COc1cc(C(=O)NNC(=O)c2ccc(-n3nc(C)cc3C)cc2)cc(OC)c1OC 2638606 LMOGFOMTBBHISS-UHFFFAOYSA-N 424.457 2.590 50 40 HFGB O=C/C(=C/Nc1ccc(S(=O)(=O)CCO)cc1)c1nc2cc(Cl)ccc2o1 100929694 LNJHCCQLDOEINL-BENRWUELSA-N 406.847 2.899 50 40 HFGB Cn1nc(C(=O)N/N=C/c2ccn(CC(F)(F)F)n2)c(Cl)c1C(F)(F)F 252505999 VVJINGLPHFFMDC-LRNAUUFOSA-N 402.686 2.615 50 40 HFGB COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(C)n(CCCn3ccnc3)c(=O)c21 1471850 YQJOIICSDOBTGW-HXUWFJFHSA-N 417.469 2.670 50 40 HFGB COc1ccc(OC)c([C@@H]2NC(=O)NC(C)=C2C(=O)OCCCBr)c1 4065382 HUTHFHSAJSEVJW-HNNXBMFYSA-N 413.268 2.660 50 40 HFGB O=C(COc1ccc(Cl)cc1Cl)NC(=S)NNC(=O)c1cccs1 6528220 NOANTIZEIDOUAQ-UHFFFAOYSA-N 404.300 2.769 50 40 HFGB COc1ccc(CCC(=O)NNC(=O)c2cccc(N(C)C)c2)cc1Br 28438334 YJCGCBYEMMILKB-UHFFFAOYSA-N 420.307 2.918 50 40 HFGB O=C(NCCc1cn2c(n1)CCCC2)NNC(=O)c1ccc(COc2ccccc2)o1 32803558 YJNGITKGVALOCC-UHFFFAOYSA-N 423.473 2.578 50 40 HFGB COCCCNC(=O)/C(C#N)=C/c1c(Oc2ccc(F)cc2)nc2ccccn2c1=O 2413334 ZFMHOVZIYIKWPG-FYWRMAATSA-N 422.416 2.686 50 40 HFGB N#CC1=C(SCC(=O)NC[C@H]2CCCO2)NC(=O)C[C@H]1c1ccc(Cl)cc1 6495418 QWNIZNMAIHYKPL-CABCVRRESA-N 405.907 2.707 50 40 HFGB COc1cc(/C=N/NC(=O)Cn2nccc2C)ccc1COc1ccc([N+](=O)[O-])cc1 12463198 CTCMUVSLWXTSPB-WSDLNYQXSA-N 423.429 2.838 50 40 HFGB Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)[C@H]1CC(=O)N(C2CCCC2)C1 12689213 JSHSBNNJHXQYEN-HNNXBMFYSA-N 412.515 2.671 50 40 HFGB C[C@@H](O/N=C\c1ccc(Br)cc1)C(=O)N/N=C1\C(=O)Nc2ccccc21 16322210 PVCFYNBHZAZKAO-BPXUPMHTSA-N 415.247 2.661 50 40 HFGB O=C1Nc2ccccc2/C1=N/NC(=O)c1nc2ccccc2c(=O)n1Cc1ccccc1 28218229 XDZVPSMJQHSURR-UHFFFAOYSA-N 423.432 2.531 50 40 HFGB CC(=O)Nc1ccc(S(=O)(=O)Nc2cc3c4c(cccc4c2)C(=O)OC3=O)cc1 102626958 XQFUXJGTNCLJBF-UHFFFAOYSA-N 410.407 2.910 50 40 HFGB COc1ccccc1/C=N/NC(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O 408779233 SORZASWXYKYMDS-FYJGNVAPSA-N 403.504 2.735 50 40 HFGB Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2cccnc2)c2ccccc2)cc1 408979613 NHLOOZLALVYYIS-KCOUNZPASA-N 422.510 2.950 50 40 HFGB CCOC(=O)c1cc(C(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)c(C)nc1C 2696840 OXQLQWDITDGILE-SSDVNMTOSA-N 415.446 2.665 50 40 HFGB O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)NNC(=O)c1cc2c(s1)CCC2 12856186 HNLUJFQBKJLRBP-UHFFFAOYSA-N 415.559 2.721 50 40 HFGB CNc1sc2c3c(c(=O)[nH]c2c1C#N)[C@H](c1ccc(OC)cc1)C(C#N)=C(N)O3 15083461 UGWHINFJYPJPIF-CYBMUJFWSA-N 405.439 2.730 50 40 HFGB C/C(=N\NC(N)=O)[C@H](CN(C)C)[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 31841770 FPMUAHAGBPYEFC-PNJIMKALSA-N 422.485 2.853 50 40 HFGB Cc1cc(/C=N/NC(=O)C(=O)NCc2ccccn2)c(C)n1-c1ccc(Cl)cc1 58912255 KCLOFCDILCOXLO-BRJLIKDPSA-N 409.877 2.909 50 40 HFGB C=CCc1cc(/C=N\NC(=O)CN2CCOCC2)ccc1OCc1ccccc1F 59247100 FVRDCNVPEIXRJV-MYYYXRDXSA-N 411.477 2.916 50 40 HFGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCC(N)=O)c(OC)c1 408800496 NABPSIVOIVOZIB-NTUHNPAUSA-N 415.833 2.767 50 40 HFGB COc1ccc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1OC 725506 DSVGQPJYIKMPFB-DACUGSJHSA-N 401.850 2.860 50 40 HFGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(C)c(=O)c32)cc1Br 2436475 GGTWBJWQURESGC-OAHLLOKOSA-N 402.248 2.683 50 40 HFGB CCOc1ccc(N([C@H](C)C(=O)N/N=C(\C)c2ccc(F)cc2)S(C)(=O)=O)cc1 5873052 OUGRWNBJRFCXFF-QQHUYRGFSA-N 421.494 2.919 50 40 HFGB COc1ccc(S(=O)(=O)NNC(=O)Cc2csc(-c3ccc(F)cc3)n2)cc1 32780591 BJXPIUOMEGODHR-UHFFFAOYSA-N 421.475 2.510 50 40 HFGB N#CC1=C(S)NC(=S)[C@@H]([n+]2ccccc2)[C@H]1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 101362827 VHMUVWYQGJEESQ-GJZGRUSLSA-O 414.448 2.711 50 40 HFGB COC(=O)[C@]12[C@H]3[C@@H]4CC[C@H]5OC(=O)[C@]16[C@@H]1[C@H]([C@H]3[C@H]6[C@H]45)[C@@H]2[C@H]2[C@@H](Br)CC[C@@H]21 104287286 RLBISQVPNQCBJV-JFRVKAHSSA-N 419.315 2.639 50 40 HFGB COCCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 408603670 GUBXLHZVASGPKS-FOKLQQMPSA-N 424.284 2.785 50 40 HFGB O=C1C[C@@H](C(=O)Nc2ccccc2)SC(NNC(=O)c2ccccc2Cl)=N1 2366488 DTYVVPGOGKBTKJ-AWEZNQCLSA-N 402.863 2.601 50 40 HFGB COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(C)n(C[C@@H]4CCCO4)c(=O)c32)c1 5055134 KAURVYCJBLSHTP-MGPUTAFESA-N 423.469 2.571 50 40 HFGB CCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2c(C)cccc2C)cc1 6428351 IKUHWGPBGSEKIE-AFUMVMLFSA-N 424.501 2.687 50 40 HFGB O=C(CCl)Nc1cccc(S(=O)(=O)c2cccc(NC(=O)CCl)c2)c1 6926146 ARPNJMVQIHPPEC-UHFFFAOYSA-N 401.271 2.874 50 40 HFGB COc1ccc(N([C@H](C)C(=O)N/N=C/c2ccc(Cl)cc2)S(C)(=O)=O)cc1 19953586 HTFXFCOCYNAGNG-HMHKGCENSA-N 409.895 2.653 50 40 HFGB CS(=O)(=O)N(CC(=O)N/N=C/c1c(O)ccc2ccccc12)c1ccc(F)cc1 408780492 ZUIWVSRUASHOGW-WSDLNYQXSA-N 415.446 2.601 50 40 HFGB Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)N3CCOCC3)cc2)c1 409231577 JYYXPGQPVLIPEK-RGEXLXHISA-N 405.454 2.778 50 40 HFGB COc1ccc(/C=N/NC(=O)[C@@H](C)Nc2ccc3ccccc3c2)cc1OCC(N)=O 1092151 RNCZXGSEOUDQRL-VSRRSJTHSA-N 420.469 2.663 50 40 HFGB CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccccc2)cc1 2620965 XVHNTXKDNIRNGK-UHFFFAOYSA-N 423.494 2.977 50 40 HFGB CCOc1ccc(C(=O)NNC(=O)[C@@H](C)Nc2nc3ccccc3s2)cc1OC 10669336 KOCALQFPGNQKHP-GFCCVEGCSA-N 414.487 2.965 50 40 HFGB CCOc1ccc(NC(=O)CCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)cc1 35812730 VDBVQXKQVWYYAL-UDWIEESQSA-N 400.391 2.568 50 40 HFGB O=C(N/N=C/c1cc2c(cc1Br)OCO2)c1cc([N+](=O)[O-])ccc1O 36092452 BYGOHJDIQCQHAZ-UBKPWBPPSA-N 408.164 2.556 50 40 HFGB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=C(/C#N)C(=O)N1CCN(c2ccccc2)CC1 408856021 GXTUVRWWSHLGKT-XGHSKXIFSA-N 413.481 2.824 50 40 HFGB CCc1ccc(N(CC(=O)N/N=C/c2ccc(SC)cc2)S(C)(=O)=O)cc1 409024224 BWOUYFZZUMLJRR-DEDYPNTBSA-N 405.545 2.887 50 40 HFGB COc1cc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)cc(OC)c1OC 852261 GOQPLGTZRMHNIE-PLVXZXGYSA-N 411.458 2.524 50 40 HFGB biogenic,in-vitro CC(C)c1ccccc1OCC(=O)NNC(=S)NC(=O)/C=C/c1cccs1 4698885 ITHKXCXCVYRUDN-MDZDMXLPSA-N 403.529 2.986 50 40 HFGB CCOc1ccc(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 6538240 JTJSYMBJGBCJMI-CJLVFECKSA-N 415.515 2.636 50 40 HFGB O=C(N/N=C1\C(=O)N(Cc2ccccc2)c2ccccc21)[C@@H]1COc2ccccc2O1 18210610 FWVJGVQFASWYGU-FNLARSECSA-N 413.433 2.894 50 40 HFGB COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] 59459766 QOFKTQLCWOQPCO-UFWORHAWSA-N 411.201 2.999 50 40 HFGB O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1cc2c(cc1Br)OCO2 408728650 QQECYFQJACJVIZ-FBCYGCLPSA-N 405.204 2.599 50 40 HFGB N#CC1=C(S)NC(=O)[C@H]([n+]2ccccc2)[C@H]1c1ccc(F)c(Br)c1 3659031 NTGCZZBUBZTSQP-LSDHHAIUSA-O 405.272 2.995 50 40 HFGB O=C1[C@H]2[C@@H]3C[C@@H]([C@@H](Br)[C@H]3Br)[C@@H]2C(=O)N1c1ccccc1O 4157189 MTFVELSRMDRANT-XQBBVLOMSA-N 415.081 2.675 50 40 HFGB Cc1ccccc1NC(=O)C(=O)N/N=C/c1cc2c(cc1Br)OCO2 58884943 FBEGZFDZSREBQA-UFWORHAWSA-N 404.220 2.575 50 40 HFGB CCCCCCOc1ccc(N2C(=O)C[C@H](NNC(=O)c3ccncc3)C2=O)cc1 100969164 OCHRAFBFPHRREJ-IBGZPJMESA-N 410.474 2.607 50 40 HFGB COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br 408676096 AAOQUNLJTZMBGJ-CQSLXQFASA-N 400.656 2.858 50 40 HFGB COc1cccc(/C=N/NC(=O)C(=O)Nc2ccccc2Br)c1OC 4499521 IODUWMIFJITKSB-VXLYETTFSA-N 406.236 2.555 50 40 HFGB COCCCNC(=O)/C(C#N)=C/c1cc(Br)cc(Br)c1O 408804488 AKGJXQMYALETOF-BJMVGYQFSA-N 418.085 2.977 50 40 HFGB COc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)c(O)c([N+](=O)[O-])c1 8812550 UPUPWEFNDYRXCN-QGMBQPNBSA-N 424.207 2.844 50 40 HFGB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)[C@H]1CCCC[C@H]1C(=O)O 4673024 JAUAZQISBASICJ-ADEWGFFLSA-N 403.262 2.799 50 40 HFGB COc1ccc([C@@H]2[C@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1Br 19816125 OMZKHWQYIBHPEK-MAUKXSAKSA-N 424.302 2.813 50 40 HFGB O=C(CSc1nnc(COc2ccccc2)o1)NNC(=O)c1ccc(Cl)cc1 408638235 QAQIHVCMKRDMEM-UHFFFAOYSA-N 418.862 2.855 50 40 HFGB COCCN1C(N)=C(C#N)[C@H](c2ccc(C(=O)OC)cc2)C2=C1CC(C)(C)CC2=O 409141599 JEKKZXJGLHSDDP-IBGZPJMESA-N 409.486 2.856 50 40 HFGB Cc1ccc(C)n1-c1ccc(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1 40128830 LVTJMZZWOPTLFI-UHFFFAOYSA-N 418.501 2.562 50 40 HFGB CN(CC(=O)N/N=C/c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 16186941 RTBYNKLUIQNBBJ-AWQFTUOYSA-N 418.277 2.903 50 40 HFGB COc1cc(Br)ccc1OCC(=O)N/N=C/c1ccccc1[N+](=O)[O-] 1434339 KRTJIYVAFBAQKX-GIJQJNRQSA-N 408.208 2.895 50 40 HFGB Cc1cc2c(c(=O)n1C)[C@@]1(C(=O)N(Cc3ccccc3)c3ccccc31)C(C#N)=C(N)O2 9743045 ZRYGYMWLHDQUEV-VWLOTQADSA-N 424.460 2.613 50 40 HFGB Cc1cc(N2CCCCC2)nc(SCC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)n1 1302016 CDWSJENESHLZAC-UDWIEESQSA-N 414.491 2.926 50 40 HFGB CCOc1cc([C@H]2C(C(=O)OC)=C(C)N=C3SC(C#N)=C(N)N32)ccc1OC 408606100 NZKZVABHNAGWJX-INIZCTEOSA-N 400.460 2.652 50 40 HFGB O=C(N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O)c1ccc([N+](=O)[O-])cc1 409088360 LHCNVZSSGUIHDE-FRKPEAEDSA-N 409.152 2.735 50 40 HFGB COc1ccc(C(=O)NNC(=O)COc2ccc(Br)c(C)c2)cc1OC 840335 BSSBKJVWPVEZID-UHFFFAOYSA-N 423.263 2.615 50 40 HFGB Cc1ccc(C)c(OCC(=O)NNC(=O)CCCNC(=O)c2ccc(Cl)cc2)c1 14135979 CWLRVCNNMHWQLW-UHFFFAOYSA-N 417.893 2.693 50 40 HFGB Cc1ccc(N(CC(=O)N/N=C/c2cccc(Br)c2)S(C)(=O)=O)cc1 3664579 TYEZAXLNSYEEJR-YBFXNURJSA-N 424.320 2.674 50 40 HFGB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)OCC(=O)NNC(=O)c1ccccc1 6056339 RKTAQUMTACSVGO-LLVKDONJSA-N 411.241 2.765 50 40 HFGB Cc1ccsc1/C=N/NC(=O)CN(c1cccnc1)S(=O)(=O)c1ccccc1 20213751 CAPUHCRYNCJATC-FYJGNVAPSA-N 414.512 2.797 50 40 HFGB N#CC1=C(N)N=C(SCC(=O)OCc2ccccc2)[C@@H](C(N)=O)C12CCCCC2 21577937 YJERNKHLHXVFDI-QGZVFWFLSA-N 412.515 2.621 50 40 HFGB CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C\c2ccc(N(CC)CC)cc2)cc1 223156744 WPVHBQNNIDNORD-HAHDFKILSA-N 410.474 2.798 50 40 HFGB COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(Cl)c1OCC(=O)O 408967834 SJCADGUDNMBOTO-GZIVZEMBSA-N 405.769 2.587 50 40 HFGB Cc1ccc(S(=O)(=O)NNC(=O)c2cc3c(s2)CCCCC3)cc1[N+](=O)[O-] 7404858 CDWDZRREPJNSFJ-UHFFFAOYSA-N 409.489 2.857 50 40 HFGB COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc([N+](=O)[O-])c1O 36615293 MNCLAFFRMXEZPD-OEAKJJBVSA-N 421.409 2.695 50 40 HFGB CC1(C)[C@@H]2CC(Br)(Br)C(=O)[C@]1(CBr)OC2=O 110501692 ZCNUNAAFUSTIKG-ANLVUFKYSA-N 418.907 2.778 50 40 HFGB c1ccc([C@@H]2OO[Sn](c3ccccc3)(c3ccccc3)O2)cc1 195999574 DYKQTKLLNGBJLG-QTPLPEIMSA-M 411.045 2.920 50 40 HFGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(C)cc1)S(C)(=O)=O 408775960 KZSFZNANLPMRSC-RGVLZGJSSA-N 409.895 2.573 50 40 HFGB COc1cccc(N(CC(=O)N/N=C(\C)CCc2ccccc2)S(C)(=O)=O)c1 408783606 OZRKPVYFVJUUAQ-LTGZKZEYSA-N 403.504 2.586 50 40 HFGB COc1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2O)cc(Br)c1OC 409048419 SWXSSDIWBXJZFW-QGMBQPNBSA-N 424.207 2.844 50 40 HFGB CC/C(=N\NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1)c1ccc(OC)c(OC)c1 409136763 VGDVDKGKRWHPAX-HEHNFIMWSA-N 419.503 2.644 50 40 HFGB COc1ccc(/C=N\NC(=O)Cc2ccc3c(c2)OCCO3)cc1Br 409363328 LFWHNTQCZOJJAW-JAIQZWGSSA-N 405.248 2.922 50 40 HFGB COc1cc(/C=N/NC(=O)COc2ccccc2C#N)ccc1OC(=O)c1ccco1 1434008 IFKNGIXGZQLWBG-ZMOGYAJESA-N 419.393 2.908 50 40 HFGB CC(C)CNC(=O)C1CCN(C(=O)NNC(=O)c2cc3c(s2)CC[C@@H](C)C3)CC1 24833341 ISMFVCLLLOYNAM-CQSZACIVSA-N 420.579 2.712 50 40 HFGB CC(C)[C@H](Br)C(=O)Nc1cc2c(cc1N1CCCC1)n(C)c(=O)n2C 408526378 BFAZUDADGYEGAQ-INIZCTEOSA-N 409.328 2.835 50 40 HFGB CCOc1cc(/C=N/NC(=O)c2ccco2)cc(I)c1O 408766265 TTXRPITUTAQHEK-LZYBPNLTSA-N 400.172 2.752 50 40 HFGB CC(C)Oc1ccc(/C=N/NC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)cc1 408913318 SUASLOCNFFNDKE-ZFMLPXDISA-N 403.504 2.779 50 40 HFGB Cc1ccc(NCC(=O)N/N=C\c2cc([N+](=O)[O-])ccc2N2CCN(C)CC2)cc1C 409008474 WUGLTOBHCBEPSQ-OYKKKHCWSA-N 424.505 2.526 50 40 HFGB C[C@H]1CCc2sc(C(=O)NNC(=O)N(C)C[C@H]3COc4ccccc4O3)cc2C1 9532452 RNHIWKNTZRUHDK-ZFWWWQNUSA-N 415.515 2.999 50 40 HFGB COc1ccc(NC(=O)C/C(C)=N/NC(=O)c2ccc(NC(C)=O)cc2)c(OC)c1 14922095 AGDAEYWFLKUWCP-ZMOGYAJESA-N 412.446 2.797 50 40 HFGB O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)NN=C1CCCC1 19952368 ODSSPBGYVABLOO-UHFFFAOYSA-N 416.459 2.836 50 40 HFGB O=C(N/N=C1\C(=O)N([C@@H]2OC(=O)c3ccccc32)c2ccccc21)c1ccc(O)cc1 101283339 VWFRUAHSIGSBAH-BQMBHYSLSA-N 413.389 2.742 50 40 HFGB N#C/C(=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)C(=O)NCCc1c[nH]c2ccccc12 408948218 FAOKPTMCYRRIMQ-AUWJEWJLSA-N 421.369 2.956 50 40 HFGB NC(=O)COc1ccc(/C=N\NC(=O)c2ccc(Cl)cc2)cc1Br 409267672 WXEIIBXBGCULIA-ZBKNUEDVSA-N 410.655 2.731 50 40 HFGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)O)c(OC)c2)cc1OC 409323749 PPWPZMTXRRTXBB-UUYOSTAYSA-N 416.430 2.720 50 40 HFGB CCOc1cc(/C=N/NC(=O)c2cccnc2)ccc1OCC(=O)N1CCCCC1 5163162 XMEULZJLCSZWQX-ZVHZXABRSA-N 410.474 2.636 50 40 HFGB COc1ccc(N(CC(=O)N/N=C/c2cccc3ccccc23)S(C)(=O)=O)cc1 20060432 WGMDPSNBAAGITE-HYARGMPZSA-N 411.483 2.765 50 40 HFGB CCn1c(SCC(=O)N/N=C\c2ccc(O)c(O)c2)nnc1-c1ccc(C)cc1 30750379 FIERECMNOKXCKW-NHDPSOOVSA-N 411.487 2.927 50 40 HFGB CN1CCCc2cc(/C=C/C(=O)NNC(=O)c3cc(Br)c[nH]3)ccc21 61367179 WEZUNBORIWYIPO-FNORWQNLSA-N 403.280 2.634 50 40 HFGB C/C(N)=C(\C#N)C(=O)COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O 104491768 GXMALXUAUQVPSZ-GDNBJRDFSA-N 408.797 2.598 50 40 HFGB CCOc1cc(/C=C(\C#N)C(N)=O)cc(I)c1OC(C)C 408884070 SLKLDSBIIQNYLP-VZUCSPMQSA-N 400.216 2.869 50 40 HFGB COc1cccc(/C=N/NC(=O)c2ccc(C(=O)N/N=C/c3cccc(OC)c3)o2)c1 2747486 GCCSIIQHTTTYLA-RNIAWFEPSA-N 420.425 2.825 50 40 HFGB CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccc(OC)c3OC)[C@H]2C1 4473454 QZEYXAISMQOCOQ-AZUAARDMSA-N 403.486 2.839 50 40 HFGB CCCOC(=O)c1ccc(NC(=O)[C@H]2[C@@H]3C[C@H]4[C@H](OC(=O)[C@@H]42)[C@@H]3Br)cc1 9581277 AXHFZTHOZFICSC-OHQCYIMMSA-N 422.275 2.763 50 40 HFGB CNc1sc2c3c(c(=O)[nH]c2c1C#N)[C@@H](c1ccc(OC)cc1)C(C#N)=C(N)O3 15083463 UGWHINFJYPJPIF-ZDUSSCGKSA-N 405.439 2.730 50 40 HFGB C/C(=N/NC(N)=O)[C@@H](CN(C)C)[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 17215464 FPMUAHAGBPYEFC-KUXKZHGHSA-N 422.485 2.853 50 40 HFGB CC(C)(C)OC(=O)/C(C#N)=C1\CC[C@@H]([C@H]2CC/C(=C(/C#N)C(=O)OC(C)(C)C)N2)N1 19312945 MQYOUGDNKUGORR-JHKMRUOLSA-N 414.506 2.729 50 40 HFGB O=C(CN1CCCCC1)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 28214307 ULNCZHANANEEFU-ZVHZXABRSA-N 412.465 2.779 50 40 HFGB O=C(N/N=C\c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1cc(Br)ccc1O 33675471 JJLDILSYHJQRRL-APSNUPSMSA-N 409.152 2.735 50 40 HFGB Cc1cc(/C=N/NC(=O)C(=O)NCc2ccncc2)c(C)n1-c1ccc(Cl)cc1 408986407 QKMFBPFQBKSMPB-DHRITJCHSA-N 409.877 2.909 50 40 HFGB O=C1[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C(=O)N1c1cccc(O)c1 100517935 LIAJPCACUBPKDT-LVTVNPDKSA-N 415.081 2.675 50 40 HFGB Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)[C@H]3CCCC[C@@H]3C(=O)O)cc2)c1 17093554 BBLQGGCTITUIKP-OALUTQOASA-N 423.469 2.899 50 40 HFGB CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)c(Br)cc1OCC(=O)O 408779242 CFJYTOYTPQYZQR-XGICHPGQSA-N 411.252 2.743 50 40 HFGB COC(=O)COc1ccc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1Br 409238624 LIAPIFRQMQPUJC-FBHDLOMBSA-N 423.238 2.833 50 40 HFGB O=C(N/N=C1/C(=O)Nc2ccccc21)/C(=C\c1cccs1)NC(=O)c1ccccc1 711085 AGMAIYXUIGVBQC-QGOAFFKASA-N 416.462 2.992 50 40 HFGB Cc1cc2c(c(=O)o1)[C@@]1(C(=O)N(Cc3ccccc3)c3ccccc31)C(C#N)=C(N)O2 809354 FDLGAFKHBJPSLF-DEOSSOPVSA-N 411.417 2.867 50 40 HFGB CCN(CC)c1ccc(/C=N/NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2C)cc1 4059295 AETQIWCFGDEEBC-YDZHTSKRSA-N 411.462 2.630 50 40 HFGB C/C=C/C=C/C(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2C)c1 6551317 RIJREJNGAKOUTM-UMCKCUICSA-N 413.499 2.998 50 40 HFGB N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccco3)C2)[C@]12C(=O)N1CCCc3cccc2c31 8559972 NYEPGUCRMWGGGZ-LFPIHBKWSA-N 413.433 2.935 50 40 HFGB Cc1sc2ncn(CC(=O)N/N=C\c3ccc(Br)cc3)c(=O)c2c1C 31783400 QAULKLXFMXYXRG-SCDVKCJHSA-N 419.304 2.988 50 40 HFGB O=C1[C@H]2[C@H](C(=O)N1c1cccc(O)c1)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br 101114072 LIAJPCACUBPKDT-PTEOKISQSA-N 415.081 2.675 50 40 HFGB C#CCOc1ccc(Br)cc1/C=N/NC(=O)c1cc([N+](=O)[O-])ccc1O 409049976 ZDSFGXAYPWXVFC-VXLYETTFSA-N 418.203 2.839 50 40 HFGB CCOc1cc(/C=N/NC(=O)[C@@H]2CCS(=O)(=O)C2)ccc1OCc1ccccc1 7324635 ANUAWWQIYXHVRK-MNOULKQQSA-N 416.499 2.549 50 40 HFGB O=C(NNC(=O)c1cccn(Cc2ccc(F)cc2)c1=O)c1cc2ccccc2o1 23109305 RCUFZWCADZVTSJ-UHFFFAOYSA-N 405.385 2.857 50 40 HFGB C/C(N)=C(\C#N)C(=O)COC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1 105274042 MEHPJDYYNDSNTA-VKAVYKQESA-N 411.483 2.734 50 40 HFGB Cc1cc(/C=N\NC(=O)CN2CCOCC2)c(C)n1-c1cccc(C(F)(F)F)c1 408999785 VUJJUAXABYRSMV-MSXFZWOLSA-N 408.424 2.895 50 40 HFGB CCOc1ccc(/C(C)=N/NC(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)cc1 4482269 REVNBRCCWIJIAK-LTGZKZEYSA-N 403.504 2.700 50 40 HFGB Cc1cc(C(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)[nH]n1 18240565 VDGQBTYNRDYROG-PJQLUOCWSA-N 402.046 2.713 50 40 HFGB COC(=O)c1ccc([C@@H]2C(C#N)=C(N)C(C#N)(C#N)C3=CCN(C(C)C)C[C@@H]32)cc1 26417323 PZUDQWUCUUZZOL-AZUAARDMSA-N 401.470 2.607 50 40 HFGB O=C(NN[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1=O)c1cccc(Cl)c1 100097034 KNDFDIVXVJLXKL-AWEZNQCLSA-N 411.767 2.925 50 40 HFGB CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccco2)C(C#N)=C(SCC(N)=O)N1 729012 SXJLKOUNVUJUAB-GOSISDBHSA-N 412.446 2.972 50 40 HFGB COc1cc(C(NC(=O)CCl)NC(=O)CCl)ccc1OCc1ccccc1 3408074 ODYCUYBJXMSZDY-UHFFFAOYSA-N 411.285 2.983 50 40 HFGB CCOc1ccccc1N1C[C@@H](C(=O)NNC(=O)c2ccccc2Cl)CC1=O 5703792 KEYMWOJKQIXKAX-ZDUSSCGKSA-N 401.850 2.553 50 40 HFGB Nc1nonc1-n1nnc(C(=O)N/N=C/[C@H]2CC=CCC2)c1CSc1ccccc1 9424955 OKENHGZCCKZUFV-PUFAJPFRSA-N 424.490 2.597 50 40 HFGB CC(C)n1nc(C(=O)NNC(=O)[C@H]2CCCc3ccccc32)c2ccccc2c1=O 12920270 GCYSSSFTEYDLCN-SFHVURJKSA-N 404.470 2.859 50 40 HFGB CCOC(=O)C1=C(c2ccccc2)NC(SCC(N)=O)=C(C#N)[C@@H]1c1ccco1 20136807 LDJCDDVCPMZYFN-QGZVFWFLSA-N 409.467 2.894 50 40 HFGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1sccc1C)S(C)(=O)=O 20212140 UNSMDJUWZSOKSN-GIJQJNRQSA-N 415.924 2.635 50 40 HFGB COc1cccc(/C=N\NC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1 31854652 QVNVVTNWXLTBSR-PUKDDNLJSA-N 410.499 2.742 50 40 HFGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccn2)Cc2ccccc2)cc1 59516173 PGWRSODUPLRNNG-BUVRLJJBSA-N 422.510 2.731 50 40 HFGB CC/C(NNC(=O)c1ccccc1Cl)=C1/C(=O)NC(=O)N(c2ccccc2)C1=O 5071990 ZSOSJCQXUTWODW-FOCLMDBBSA-N 412.833 2.522 50 40 HFGB Cc1cc(OCC(=O)NNC(=O)[C@@H](C)Oc2ccccc2)ccc1Br 5540283 RWBIMEPSFVAGCM-CYBMUJFWSA-N 407.264 2.751 50 40 HFGB COc1cc(Br)cc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)c1O 38173115 SLGMKPKCMLMOKX-DJKKODMXSA-N 406.236 2.886 50 40 HFGB COC(=O)COc1cc(Br)c(/C=C(\C#N)C(=O)N2CCCC2)cc1OC 409368148 UGSWCEJDZRUWMH-NTUHNPAUSA-N 423.263 2.539 50 40 HFGB Nc1ccc(C(=O)NN2C(=O)[C@H](Cl)[C@@H]2c2cc(Br)ccc2O)cc1 1633091 VMFGZUZQTNQQCO-KGLIPLIRSA-N 410.655 2.573 50 40 HFGB COc1cc([C@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4cccnc4)c(=O)c32)ccc1O 2253728 IMYWGJNNBNGAHE-FQEVSTJZSA-N 416.437 2.532 50 40 HFGB CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1ccccc1C(C)C 9423893 YPWHLNCUJKYATA-JQFNYASXSA-N 413.499 2.502 50 40 HFGB O=C(Cc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1)NNC(=O)C1CC1 9865190 QYQVRKSIMCXZJD-UHFFFAOYSA-N 423.494 2.741 50 40 HFGB COc1c(OC(C)=O)ccc(/C=N\NC(=O)COc2cc(C)cc(C)c2)c1[N+](=O)[O-] 12859422 LFRSASYMLXAMJP-FBHDLOMBSA-N 415.402 2.675 50 40 HFGB COc1ccccc1/C=N/NC(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O 408775445 HDXOECKAXAYUIL-RGVLZGJSSA-N 409.895 2.573 50 40 HFGB C[C@@H]1CCCCN1c1ccc(/C=C(\C#N)c2nn(CCO)c(N)c2C#N)cc1[N+](=O)[O-] 408974940 GJAHUYYYTKXBOS-DWKHYPNZSA-N 421.461 2.680 50 40 HFGB COc1cc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)cc(Br)c1OC 409077016 CLPHYEPSLLXZHO-AWQFTUOYSA-N 421.247 2.888 50 40 HFGB COc1cc(-c2n[nH]c3c2[C@H](c2ccncc2)C(C#N)=C(N)O3)cc(OC)c1OC 5092556 JVJJILJFFFYBEG-MRXNPFEDSA-N 405.414 2.716 50 40 HFGB CC(=O)Nc1cccc(C(=O)N/N=C/c2cc3c(cc2Br)OCO3)c1 6563033 RQSWISOFTMUQNJ-UFWORHAWSA-N 404.220 2.900 50 40 HFGB CCN(CC(=O)Nc1ccc(OC)cc1)CC(=O)C(C#N)=C1Nc2ccccc2N1 7612825 OCRFSNWPNBHBTL-UHFFFAOYSA-N 405.458 2.797 50 40 HFGB CN(C)c1ccc(/C=N/NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)cc1 19955287 QJLJOMFJFOPVPQ-HZHRSRAPSA-N 424.526 2.822 50 40 HFGB C/C(=N\NC(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O)C(C)(C)C 408776442 OEJNCKUHUCUQGY-GZTJUZNOSA-N 404.330 2.753 50 40 HFGB C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)NCCCOC)cc1OC 408817212 KXNVFFUKNOMDSP-NTEUORMPSA-N 407.264 2.529 50 40 HFGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2C)cc(Br)c1O 409157756 VUFQVVYMTYQHIZ-KEBDBYFISA-N 420.263 2.951 50 40 HFGB COc1ccc(OC)c([C@H]2NC(=O)NC(C)=C2C(=O)OCCCBr)c1 4065384 HUTHFHSAJSEVJW-OAHLLOKOSA-N 413.268 2.660 50 40 HFGB C[C@H]1CN(C(=O)/C(C#N)=C2\N=C(NC(=O)c3cccs3)c3ccccc32)C[C@H](C)O1 11692117 ZYUFZLPIUYDMNY-SGOHWPKCSA-N 420.494 2.809 50 40 HFGB COc1ccc(N2C[C@@H](C(=O)NNC(=O)c3ccc(Cl)cc3Cl)CC2=O)cc1 30579295 QHAKCZIELNBBPQ-NSHDSACASA-N 422.268 2.816 50 40 HFGB COc1ccc(C(=O)N/N=C(\C)CC(=O)Nc2ccc3c(c2)OCCO3)cc1OC 100522761 IJSOXAQKUYDKES-YDZHTSKRSA-N 413.430 2.610 50 40 HFGB N#CC1=C(N)Oc2nc(O)[nH]c(=O)c2[C@H]1c1cn(Cc2ccccc2)c2ccccc12 4869773 FMKLYMQLJXZPFR-GOSISDBHSA-N 411.421 2.697 50 40 HFGB C[C@@H]1C[C@@H]2C(=C3[C@@H]([C@@H]4C=C[C@@H]3[C@H]3C(=O)OC(=O)[C@H]43)[C@H]3C(=O)OC(=O)[C@H]23)c2ccccc21 104237376 ZLBYVLODINZAKY-XJEBDRCWSA-N 416.429 2.641 50 40 HFGB CCOc1cc(/C=N/NC(=O)CC2(C)OCCO2)cc(Br)c1OCC 408728709 RSSVFFVXHNGEFU-YBFXNURJSA-N 415.284 2.850 50 40 HFGB CCOc1ccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 408782076 VNBSLAYUPTZIOL-CIAFOILYSA-N 423.922 2.963 50 40 HFGB CS(=O)(=O)N(CC(=O)N/N=C/c1c(O)ccc2ccccc12)c1cccc(F)c1 409110510 DADMRYNGOFKRHG-WSDLNYQXSA-N 415.446 2.601 50 40 HFGB COc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1OCC(=O)N/N=C/c1ccccc1Cl 3116022 JLMVDEIJMIEFRO-QGMBQPNBSA-N 408.754 2.694 50 40 HFGB O=C(NN/C=C1\C(=O)N(c2ccc(Cl)cn2)C(=O)c2ccccc21)c1ccncc1 3301466 XBGYSVRLNSZZLY-ATVHPVEESA-N 419.828 2.593 50 40 HFGB Cc1cc(C(=O)NNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)c(C)o1 9596478 ZCDXBZBKZLQLCC-UHFFFAOYSA-N 413.455 2.772 50 40 HFGB O=C(NN/C=C1\C(=O)N(c2cccc(Cl)c2)C(=S)N=C1O)c1ccccc1 38161918 ZQTYOSIMWNCJHU-UVTDQMKNSA-N 400.847 2.747 50 40 HFGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)cc(Br)c1O 59102186 WIPQQFSXDVTMCH-AWQFTUOYSA-N 424.226 2.781 50 40 HFGB O=C(NC[C@H]1CCCO1)C(=O)N/N=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1 59960706 KOGBNVLUHVDKBF-GGPGUOJZSA-N 410.257 2.999 50 40 HFGB O=C(N/N=C/c1ccn(CC(F)(F)F)n1)c1ccn(COc2ccc(F)cc2)n1 252500136 SNODUYOHICFDTG-LSFURLLWSA-N 410.331 2.581 50 40 HFGB C=CCNC(=O)C(=O)N/N=C/c1cc(Cl)c(OCc2ccccc2)c(OC)c1 408603819 HEBHICYZRVNKNJ-FSJBWODESA-N 401.850 2.680 50 40 HFGB C=C(C)Cn1c(SCC(=O)N/N=C/c2cccc(O)c2)nc2ccccc2c1=O 1497061 SVHLCBZPEIXHDW-SSDVNMTOSA-N 408.483 2.921 50 40 HFGB CCOc1cc(/C=N/NC(=O)Cc2nnc(N)s2)ccc1OCc1ccccc1 2198313 IFZCGXLUNMSLTF-WSDLNYQXSA-N 411.487 2.791 50 40 HFGB C[C@@]1(C(=O)NNC(=O)[C@@H]2C[C@@H]2c2ccccc2)CC1(Br)Br 4772851 BICHOTDPOQHVQT-GYSYKLTISA-N 416.113 2.834 50 40 HFGB Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 4852694 MOGNANYONIOEMQ-LLVKDONJSA-N 410.257 2.855 50 40 HFGB CN(CC(=O)N/N=C/c1cccs1)S(=O)(=O)c1cc(Cl)ccc1Cl 6545051 ARSBGUBJOMEGLG-CAOOACKPSA-N 406.316 2.826 50 40 HFGB Cc1cc(C(=O)NNS(=O)(=O)c2cccc(F)c2)c(C)n1-c1ccc(F)cc1 12636136 ZIUUYYBILLXTGP-UHFFFAOYSA-N 405.426 2.996 50 40 HFGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccnc2)c2ccccc2)cc1 20059066 KEIALZIOYMEZAF-HZHRSRAPSA-N 408.483 2.736 50 40 HFGB CN(C)NC(=O)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C12CC3CC(CC(C3)C1)C2 36625095 OPCDIPOQZDVSBK-TYUXRXASSA-N 400.479 2.502 50 40 HFGB CC1=C(C(=O)OCc2ccccc2)[C@]2(C(=O)N(C)c3ccccc32)C(C#N)=C(N)O1 989170 YOHLMEMRIALXFO-HSZRJFAPSA-N 401.422 2.642 50 40 HFGB Cc1ccccc1OCC(=O)N/N=C/c1ccc(O)c(I)c1 2756240 ZXMJDGOJBCHUPI-GIJQJNRQSA-N 410.211 2.834 50 40 HFGB Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N/N=C/c2ccc(F)cc2)cc1 408752569 BSUHUDJWTCYSEB-PPRFWAEMSA-N 405.495 2.977 50 40 HFGB Cc1ccc(OCC(=O)NNC(=O)COc2ccc(Br)cc2C)cc1 4549387 CMAMMWORKKHXHW-UHFFFAOYSA-N 407.264 2.671 50 40 HFGB O=C(CCC(=O)Nc1ccccc1[N+](=O)[O-])N/N=C/c1coc2ccccc2c1=O 4737472 REJZRKKHVZACOP-SRZZPIQSSA-N 408.370 2.570 50 40 HFGB COc1cccc(CN2C(=O)[C@]3(C(C#N)=C(N)Oc4n[nH]c(C)c43)c3ccccc32)c1 9015116 BGXKPKREOPKINK-QHCPKHFHSA-N 413.437 2.646 50 40 HFGB COc1cc(/C=N/NC(=O)c2ccccc2C)cc(Br)c1OCC(=O)O 9202037 ZCMUSGRLVHCGSL-AWQFTUOYSA-N 421.247 2.993 50 40 HFGB CCOc1ccc(C(=O)NNC(=O)CCc2nnc(-c3ccc(C)cc3)o2)cc1OC 13008353 MJHRKEQDZQLTON-UHFFFAOYSA-N 424.457 2.846 50 40 HFGB COc1ccccc1C(=O)N/N=C/c1cc(Br)c(N2CCOCC2)o1 59248232 GCNXRJLNBQMFPH-YBFXNURJSA-N 408.252 2.651 50 40 HFGB COc1ccc(C(=O)N/N=C/c2cc(Br)c(N3CCOCC3)o2)cc1 59250084 BILAWUKENRZUFJ-YBFXNURJSA-N 408.252 2.651 50 40 HFGB COc1ccc(C[C@H](C(=O)NN)P(=O)(c2ccccc2)c2ccccc2)cc1OC 3109443 ZGLDKHKBJMMNDF-JOCHJYFZSA-N 424.437 2.619 50 40 HFGB CC1=C(C(=O)Nc2ccccc2F)[C@@H](c2ccco2)C(C#N)=C(SCC(N)=O)N1 4137045 GZKZRLLOYRZABT-GOSISDBHSA-N 412.446 2.972 50 40 HFGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 8856469 XFFOTGBGXAXFOI-IBGZPJMESA-N 424.457 2.882 50 40 HFGB O=C(CSc1nnc(NCc2ccccc2)s1)NNC(=O)c1cccs1 7780538 XCULLAHKZUFMOW-UHFFFAOYSA-N 405.530 2.765 50 40 HFGB CCOc1cc(/C=C(/C#N)C(=O)N(C)C)cc(I)c1OC 59334686 XFJOMMISZBUARF-WDZFZDKYSA-N 400.216 2.694 50 40 HFGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)O)c(OC)c2)cc1OCC 409324089 SBVUUAXJAIMEAI-UUYOSTAYSA-N 416.430 2.720 50 40 HFGB Cc1cc2c(c(=O)n1Cc1ccco1)[C@H](c1ccc3c(c1)OCO3)C(C#N)=C(N)O2 1263275 WTVXWNRAUKVURD-LJQANCHMSA-N 403.394 2.745 50 40 HFGB CN(C)S(=O)(=O)c1ccc(C(=O)NNc2nc3c(F)cc(F)cc3s2)cc1 4121490 DJVJQYBLBLYQTL-UHFFFAOYSA-N 412.443 2.582 50 40 HFGB CCN(CC)c1ccc(/C=N/NC(=O)COc2nc(C)cc(COC)c2C#N)cc1 5127577 YZPKBCBLKUUMCK-ZMOGYAJESA-N 409.490 2.783 50 40 HFGB C=CCN1C(=O)/C(=N/NC(=O)[C@H](O)c2ccccc2)c2cc(Br)ccc21 5624823 GOLDADNPEWURPA-GFXBCDTMSA-N 414.259 2.536 50 40 HFGB C[C@H](NC(=O)c1ccccc1)C(=O)N/N=C1\C(=O)Nc2c(Cl)cc(Cl)cc21 6007522 AKOPWTNXIUNOIN-VIFPVBQESA-N 405.241 2.584 50 40 HFGB COc1ccc(C(=O)NNC(=O)c2ccc(F)cc2)cc1I 12371132 CIPYUKBJOQJDHW-UHFFFAOYSA-N 414.174 2.514 50 40 HFGB COc1cc(C(=O)NN)cc(I)c1OCc1ccccc1F 226365165 OIKWJTZRANOMKC-UHFFFAOYSA-N 416.190 2.621 50 40 HFGB O=S(=O)(c1ccc(F)c(S(=O)(=O)C(F)(F)F)c1)N1CCC(Cl)CC1 1188780319 ZBAPSZAVALMZLG-UHFFFAOYSA-N 409.810 2.511 50 40 HFGB COc1cc(CC(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)cc(OC)c1OC 3278280 RIUIZUIPLJFPQU-UHFFFAOYSA-N 423.425 2.640 50 40 HFGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)[nH]c2ccccc32)c(OC)c1OC 6667992 RYTFXKISKKYXED-MRXNPFEDSA-N 405.410 2.772 50 40 HFGB COc1ccc(Cl)cc1N(CC(=O)NN=C1CCCCCC1)S(C)(=O)=O 20212046 CHMWXTIOOABXKG-UHFFFAOYSA-N 401.916 2.941 50 40 HFGB CC1(C)CC(=O)C2=C(C1)NC(N)=C(C#N)[C@@]21C(=O)Oc2cc(Br)ccc21 5464909 MBKMBRRQUZQGCI-LJQANCHMSA-N 414.259 2.546 50 40 HFGB CCn1c(C)nc2cc(C(=O)NNS(=O)(=O)c3ccc(F)cc3Cl)ccc21 12545854 QJBHCURMEZXZHR-UHFFFAOYSA-N 410.858 2.780 50 40 HFGB COc1ccc(C=NNC(=O)c2ccn[nH]2)cc1COc1ccc([N+](=O)[O-])c(C)c1 15987642 BUIADJDKUDXWKZ-UHFFFAOYSA-N 409.402 2.978 50 40 HFGB O=C1[C@@H]2[C@@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C(=O)N1c1ccccc1O 100751579 MTFVELSRMDRANT-NIIXFXRXSA-N 415.081 2.675 50 40 HFGB C/C(=N\NC(=O)CN(c1ccccc1Br)S(C)(=O)=O)C(C)(C)C 4502975 UWMUEAYURNAFBY-GZTJUZNOSA-N 404.330 2.753 50 40 HFGB O=C(Cn1ncc2ccccc2c1=O)NNC(=S)Nc1ccc(Cl)cc1Cl 14944641 ONBUMOZALASANF-UHFFFAOYSA-N 422.297 2.721 50 40 HFGB C=CCOC(=O)C1=C(C)NC(SCC(N)=O)=C(C#N)[C@H]1c1ccc(OCC)cc1 20100872 DSXWBJBNLZSFJB-LJQANCHMSA-N 413.499 2.729 50 40 HFGB C/C(=N\NC(=O)[C@@H]1COc2ccccc2O1)c1ccc(I)cc1 20247060 DKIVCYXNMAPVGT-ZVCOJXFSSA-N 422.222 2.971 50 40 HFGB COc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccc(SC)cc2)S(C)(=O)=O)cc1 58918745 SBFAWVIGXSVBKD-ZXOFLVKFSA-N 421.544 2.722 50 40 HFGB CCc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Br)c(O)c(OC)c1 59101445 UGRKZAIWPSXCAS-KEBDBYFISA-N 420.263 2.815 50 40 HFGB NC(=O)COc1ccc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1 83318256 LIHBQMHCYQCSPX-NKVSQWTQSA-N 416.231 2.823 50 40 HFGB COC(=O)[C@@]12[C@H]3[C@H]4[C@@H](Br)CC[C@@H]4[C@H]4[C@@H]3[C@H]3[C@H]5[C@@H]6[C@@H](CC[C@H]6OC(=O)[C@@]451)[C@H]32 104287276 RLBISQVPNQCBJV-AATPRXETSA-N 419.315 2.639 50 40 HFGB CCOC(=O)COc1ccc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc1OCC 408967712 RWLZUNZVXHDNDY-WYMPLXKRSA-N 413.405 2.802 50 40 HFGB Cc1cc(Cl)ccc1OCC(=O)NNC(=O)CCCn1c(=O)oc2ccccc21 15890023 NGAYRRJHUHEOPI-UHFFFAOYSA-N 417.849 2.563 50 40 HFGB Cc1cc(/C=N/NC(=O)CN2CCOCC2)c(C)n1-c1ccc(Br)cc1 33383701 HROJOOGBOZUXMB-CIAFOILYSA-N 419.323 2.639 50 40 HFGB COc1ccc(C(=O)N/N=C(\C)CC(=O)Nc2ccc3c(c2)OCCO3)c(OC)c1 100522767 UZTIJRRCHIOHPD-YDZHTSKRSA-N 413.430 2.610 50 40 HFGB Nc1ccccc1N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O 100940152 MBKHUNRVMPCQNA-FIRGSJFUSA-N 402.086 2.695 50 40 HFGB CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(F)cc3F)[C@H]2C1 4452949 KJLZFDGVTXNHIY-FUHWJXTLSA-N 409.396 2.847 50 40 HFGB CN(CC(=O)N/N=C/c1c(Cl)cccc1Cl)S(=O)(=O)c1ccccc1 6544383 SKPHUHRAPQOPRQ-VXLYETTFSA-N 400.287 2.764 50 40 HFGB CCc1cccc(N2C[C@@H](C(=O)NNC(=O)c3cc(Cl)ccc3OC)CC2=O)c1 12933991 VYCLANVXFKAKCJ-AWEZNQCLSA-N 415.877 2.725 50 40 HFGB Cc1ccc(C)c(OCC(=O)N/N=C2/C(=O)Nc3ccc(Br)cc32)c1 18143833 OLRCCBGRVHQHPX-UHFFFAOYSA-N 402.248 2.917 50 40 HFGB O=C(O)COc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1Br 408748305 BPJVJEBVFKEEMF-QGMBQPNBSA-N 422.191 2.585 50 40 HFGB COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(C[C@H]4CCCO4)c(=O)c32)c1OC 2249497 ZKAMUOLOYPLABX-AUUYWEPGSA-N 423.469 2.571 50 40 HFGB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N/N=C3/CCc4ccccc43)CC2)cc1 4474843 RKCUWMGGAHRXQZ-LNVKXUELSA-N 411.527 2.862 50 40 HFGB C/C(=N\NC(=O)c1ccccc1O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 6946294 UKRGUPSKYZMQDF-HYARGMPZSA-N 413.455 2.618 50 40 HFGB COc1cccc(-n2c(C)cc(/C=N\NC(=O)C(=O)NCCc3ccccc3)c2C)c1 223164368 BALKMQJTYSWECB-QQXSKIMKSA-N 418.497 2.912 50 40 HFGB Cc1c(C(=O)N/N=C\c2cccc(O)c2)nn(-c2ccc(Cl)cc2)c(=O)c1C#N 409074657 WIADSEITKUJIBG-KSEXSDGBSA-N 407.817 2.536 50 40 HFGB O=C(CCn1ccc([N+](=O)[O-])n1)NNC(=S)Nc1cc(Cl)ccc1Cl 2794178 GWLNCFNQLRNRQW-UHFFFAOYSA-N 403.251 2.506 50 40 HFGB COc1ccc(S(=O)(=O)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1 7383442 HDLRAIYDXBKXJJ-CQSZACIVSA-N 400.456 2.625 50 40 HFGB CCCCn1nc(C(=O)N/N=C2\C(O)=Nc3ccc(OC)cc32)c2ccccc2c1=O 8473139 ZRZSUNONSRKSDE-UHFFFAOYSA-N 419.441 2.941 50 40 HFGB COc1c(OC(C)=O)ccc(/C=N\NC(=O)COc2ccccc2Cl)c1[N+](=O)[O-] 13895347 CXEYSPHGPFTHSE-UKWGHVSLSA-N 421.793 2.711 50 40 HFGB CCOc1ccc(/C=N/NC(=O)CN2CCN(Cc3ccc(C)cc3)CC2)cc1OC 19826476 ZBZPUMVHQYBZTG-PCLIKHOPSA-N 424.545 2.670 50 40 HFGB CCCCOc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)cc1 20211784 CRYZLILWNHCXLP-HYARGMPZSA-N 421.494 2.921 50 40 HFGB O=C(COc1ccc(/C=N/NC(=O)c2cccc(Cl)c2)cc1)NC[C@@H]1CCCO1 28215426 FQANWPLIOAOJBW-OGBFJMLUSA-N 415.877 2.778 50 40 HFGB CCCn1nc(C(=O)NNC(=O)CCc2ccccc2Cl)c2ccccc2c1=O 32992724 WXULQWZTYHVFKJ-UHFFFAOYSA-N 412.877 2.854 50 40 HFGB CCOC(=O)CS[C@@]1(c2ccc(Cl)cc2)OC(N)=C(C#N)C1=C(C#N)C#N 100249661 JXTPTSYGKZQCQU-GOSISDBHSA-N 400.847 2.857 50 40 HFGB CN1C(=O)/C(=N\NC(=O)COc2ccc(Cl)cc2Cl)c2cc([N+](=O)[O-])ccc21 101018674 SIOZTTQVASUAHQ-PGMHBOJBSA-N 423.212 2.777 50 40 HFGB Cc1ccc(OCC(=O)N/N=C\C=N\NC(=O)COc2ccc(C)cc2C)c(C)c1 101625913 SRCNEKZRSGJUCV-NFXRTZMGSA-N 410.474 2.582 50 40 HFGB O=C1Nc2c(Br)cc(Br)cc2/C1=N/NC(=O)c1ccncc1 1479711 FRXSOKGCFWUIPT-UHFFFAOYSA-N 424.052 2.693 50 40 HFGB O=C(N/N=C/c1cccc2ccccc12)c1cccc(S(=O)(=O)N2CCOCC2)c1 3469666 VQMBYFXEHOKOMB-XQNSMLJCSA-N 423.494 2.625 50 40 HFGB COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccncc4)c32)cc(OC)c1OC 5067657 ZXSASJJSXXWNRY-MRXNPFEDSA-N 405.414 2.716 50 40 HFGB CC(C)CNC(=O)/C(C#N)=C1\N=C(NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 5325184 BEXPENZCOKKYOS-HNENSFHCSA-N 417.425 2.792 50 40 HFGB C[C@H](Sc1nc2ccccc2[nH]1)C(=O)NN/C=C1/C=C(Br)C=CC1=O 100180800 GEHVZUUHMWNMAY-RGAIUGGKSA-N 419.304 2.966 50 40 HFGB CC(C)OC(=O)COc1ccc(/C=N\NC(=O)COc2cccc(N(C)C)c2)cc1 409187232 NTVRMRKMXHNIBW-QRVIBDJDSA-N 413.474 2.612 50 40 HFGB C[C@H]1CCc2sc(C(=O)NNS(=O)(=O)c3ccc(F)c(F)c3F)cc2C1 7403207 CXOMLKNTOMGSLI-QMMMGPOBSA-N 404.435 2.914 50 40 HFGB Cc1ccc(Sc2ccc(/C=N\NC(=O)CN3CCOCC3)cc2[N+](=O)[O-])cc1 32124597 CYTKNTLPLNQMFY-BKUYFWCQSA-N 414.487 2.837 50 40 HFGB O=C(NN/C=C1\C(=O)N(c2ccc(Cl)cc2)C(=S)N=C1O)c1ccccc1 38163445 RGJSXDQGCYWSMX-UVTDQMKNSA-N 400.847 2.747 50 40 HFGB CCOc1cccc(/C=N/NC(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)c1O 3210725 NILWRJYBNAZERA-KGENOOAVSA-N 419.503 2.585 50 40 HFGB Cc1ccc(C(=O)NNC(=O)COc2ccc(F)cc2)cc1NC(=O)c1ccco1 6510414 MXNVLRAOPCAFDM-UHFFFAOYSA-N 411.389 2.819 50 40 HFGB CCCCCCC(=O)NN/C(CC)=C1\C(=O)NC(=O)N(c2ccc(OC)cc2)C1=O 9332630 LKQNXWHBDWRGIY-FBMGVBCBSA-N 416.478 2.533 50 40 HFGB CCn1c(C)nc2cc(C(=O)NNC(=O)C[C@@H]3Sc4ccccc4NC3=O)ccc21 9581200 AIOQGRVQUSKQBK-SFHVURJKSA-N 423.498 2.629 50 40 HFGB Cn1cnnc1SCc1ccc(C(=O)NNC(=O)c2ccccc2Cl)cc1 14135142 VOXSFCUWHIIBDW-UHFFFAOYSA-N 401.879 2.836 50 40 HFGB N#C/C(=C\N1CCN(Cc2ccc3c(c2)OCO3)CC1)C(=O)Nc1ccc(F)cc1 20403636 NYAIZXOJZOQHCA-SAPNQHFASA-N 408.433 2.718 50 40 HFGB COc1ccc(/C=N\NC(=O)CN2CCN(Cc3ccccc3Cl)CC2)cc1 32576972 SDVHWOGUNCHSPB-UCQKPKSFSA-N 400.910 2.617 50 40 HFGB COCCNC(=O)C(=O)N/N=C/c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C 58911635 MRSXVTKTGQNDBD-LSHDLFTRSA-N 411.289 2.614 50 40 HFGB Cc1cc(/C=N\NC(=O)c2ccccc2O)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 408852689 VQEKXDQSSPOOEK-KSEXSDGBSA-N 421.409 2.960 50 40 HFGB CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(F)cc3F)[C@@H]2C1 4452946 KJLZFDGVTXNHIY-AEFFLSMTSA-N 409.396 2.847 50 40 HFGB C/C(CC(=O)NC12CC3CC(CC(C3)C1)C2)=N\NC(=O)C(=O)Nc1cccc(C)c1 4690557 ORKBGCFRHVKWSL-CVKSISIWSA-N 410.518 2.901 50 40 HFGB O=C(CCCC(=O)NNC(=O)Cc1ccccc1)NCCc1ccc(Cl)cc1 4715580 QWSUZTIPXMLTPK-UHFFFAOYSA-N 401.894 2.559 50 40 HFGB Cc1ccccc1C(=O)N/N=C/c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1 4995857 WSCUGZWYDKKBFV-ZVHZXABRSA-N 404.426 2.607 50 40 HFGB Cc1ccccc1N(CC(=O)N/N=C/c1cccnc1)S(=O)(=O)c1ccccc1 6207916 ZLTVBIODVVXYEK-HZHRSRAPSA-N 408.483 2.736 50 40 HFGB COc1cccc(NC(=O)NNC(=O)c2ccc(=O)n(Cc3ccc(C)cc3)c2)c1 23136184 BRUMQWPELQQHPA-UHFFFAOYSA-N 406.442 2.680 50 40 HFGB CCOc1cc(/C=N\NC(=O)CN2CCOCC2)ccc1OCc1ccc(C)cc1 33335351 FIPKWBLKFMZEBM-IWIPYMOSSA-N 411.502 2.755 50 40 HFGB Cc1ccnc(N/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C\c2ccc(F)cc2)n1 100146863 MOPHZPRCQPXXPB-BBVIKVMVSA-N 418.432 2.758 50 40 HFGB Cc1ccc(S(=O)(=O)NCc2ccc(/C=C(/C#N)C(=O)NCC(C)C)o2)cc1 408846245 HWYPTXZSACGHBB-YBEGLDIGSA-N 401.488 2.746 50 40 HFGB COc1ccc(N(CC(=O)NN=C2CCCCCC2)S(C)(=O)=O)cc1Cl 408868513 NLRKTGSGAPNYOR-UHFFFAOYSA-N 401.916 2.941 50 40 HFGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cccc(C)c1C 409266544 ZUHRFEHBKSTBAS-ANDSAHIGSA-N 424.501 2.686 50 40 HFGB COC(=O)COc1ccc(/C=N/NC(=O)CNc2ccc(Br)cc2)cc1 409365935 ZRHCQZTYCICSJQ-UFFVCSGVSA-N 420.263 2.563 50 40 HFGB CO[C@H](C(=O)NNC(=O)COc1ccc(C)cc1Br)c1ccccc1 5927133 SIUPPJRRFUIPEC-KRWDZBQOSA-N 407.264 2.671 50 40 HFGB O=C(NCc1ccco1)C(=O)NNC(=O)[C@H](Sc1ccccc1)c1ccccc1 12894704 UUSKVAMNCBFYMN-GOSISDBHSA-N 409.467 2.577 50 40 HFGB CCn1c(NNC(=O)/C=C/c2ccc(N3CCCC3=O)cc2)nc2ccccc2c1=O 32754795 UZHUDRGOPXSQOD-SDNWHVSQSA-N 417.469 2.700 50 40 HFGB O=C(NNC(=O)[C@H]1COc2ccccc2O1)c1ccccc1C(=O)c1ccc(F)cc1 12972735 VSPPOJSLEWYPEC-HXUWFJFHSA-N 420.396 2.658 50 40 HFGB Cc1cccc(N(CC(=O)N/N=C/c2ccccn2)S(=O)(=O)c2ccccc2)c1 59472746 PUNQGCKMDSHXLN-HZHRSRAPSA-N 408.483 2.736 50 40 HFGB CC(=O)Oc1cccc(/C=N/NC(=O)c2cccc(I)c2)c1 408757681 BNOBHGARPSZFCL-VCHYOVAHSA-N 408.195 2.980 50 40 HFGB Cc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c(C)n1-c1ccc(C(N)=O)cc1 408966726 NCSRRQVLEJLZLR-RPPGKUMJSA-N 403.417 2.968 50 40 HFGB O=C(N/N=C/c1cn(CC(=O)N2CCOCC2)c2ccccc12)c1cccc(Cl)c1 4788308 NUNSCXMKJDITDW-ZMOGYAJESA-N 424.888 2.917 50 40 HFGB Cn1cc(C(=O)NNS(=O)(=O)c2ccc(Br)cc2)c2ccccc21 12565173 GHCMKYJDABHFMH-UHFFFAOYSA-N 408.277 2.564 50 40 HFGB COC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1cc(Cl)c(OC)c(OC)c1 408609346 ZPYFFCHDXGGOCP-CQSZACIVSA-N 420.878 2.915 50 40 HFGB CCOC(=O)COc1ccc(/C=N\NC(=O)COc2cccc3cccnc23)cc1 409023929 NKYRWKLJVXHKMD-CFRMEGHHSA-N 407.426 2.706 50 40 HFGB O=C(N[C@@H](Cc1ccccc1)C(=O)N(CCCl)CCCl)C(Cl)Cl 1692521 OVZZKGPJKBADNJ-LBPRGKRZSA-N 400.133 2.824 50 40 HFGB COc1cc(/C=N/NC(=O)Cc2ccccc2)cc(I)c1O 3151347 MAWIPEAUSZOLJY-VCHYOVAHSA-N 410.211 2.698 50 40 HFGB Cc1ccc(-c2n[nH]c3c2[C@]2(C(=O)Nc4ccc([N+](=O)[O-])cc42)C(C#N)=C(N)O3)cc1 9329281 KMRYMLFRCBCNDG-OAQYLSRUSA-N 414.381 2.618 50 40 HFGB CCOc1ccc(C(=O)NC(=S)NNC(=O)COc2cccc3ccccc23)cc1 12137086 OZGCNFFADUHSDQ-UHFFFAOYSA-N 423.494 2.953 50 40 HFGB CCOc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)OC)c(OCC)c2)cc1 20764765 OTXHRBKRHDMDSS-LPYMAVHISA-N 400.431 2.800 50 40 HFGB COc1cc(/C=N/NC(=O)CNc2cccc(Br)c2)cc(OC)c1O 849656 LQYIWYRTKVKHCQ-AWQFTUOYSA-N 408.252 2.734 50 40 HFGB COc1cccc(OCC(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c1 4852685 BFALGPDSUIGPTH-NSHDSACASA-N 413.257 2.996 50 40 HFGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(I)o1 5457772 GCQLAPHVHFMTAN-GFCCVEGCSA-N 400.172 2.529 50 40 HFGB C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)c1n[nH]c2ccccc12 8242864 FEWLYZAGJYCHAC-JTQLQIEISA-N 403.236 2.554 50 40 HFGB COc1ccccc1/C=N/NC(=O)CNc1ccc(I)cc1 59720743 NVJFIPRMNXJPFO-VXLYETTFSA-N 409.227 2.862 50 40 HFGB O=C(NC[C@H]1CCCO1)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1 408607686 DYKAUOOJTYOMOI-SZMVHAFZSA-N 415.877 2.664 50 40 HFGB CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)N/N=C\c1ccccn1 408727999 UJIYWONPNMVTJC-HAHDFKILSA-N 408.483 2.812 50 40 HFGB COC(=O)Cn1cc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)c2ccccc21 409200204 QVSCEUVBWDPJEC-CXUHLZMHSA-N 417.421 2.766 50 40 HFGB CO[C@H]1[C@@H](OC(=O)NC(=O)CCl)CC[C@@]2(CO2)[C@@H]1[C@]1(C)O[C@H]1CC=C(C)C 936069064 MSHZHSPISPJWHW-BQZATALTSA-N 401.887 2.554 50 40 HFGB CCOc1cc(/C=N/NC(=O)OC(C)(C)C)cc(Br)c1OCC(N)=O 3574640 ZAXIRPMLKJACFA-UFWORHAWSA-N 416.272 2.571 50 40 HFGB COc1ccccc1NC(=O)C1=C(C)NC(SCC(N)=O)=C(C#N)[C@H]1c1ccoc1 4019900 DRAUNAIFJKKVNK-LJQANCHMSA-N 424.482 2.841 50 40 HFGB CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cccs2)c1 6509802 NFXRWONLOGUCED-UHFFFAOYSA-N 421.544 2.776 50 40 HFGB CC(C)(C)c1ccc(C(=O)NNC(=O)Cc2csc(NC(=O)C3CC3)n2)cc1 32765677 OBYPUPWUIOIAOY-UHFFFAOYSA-N 400.504 2.793 50 40 HFGB O=C(Cn1nc(C(F)F)cc1C(F)F)N/N=C/c1ccn(CC(F)(F)F)n1 252509953 YZCKWJWJJPXKEE-IPBDZQFASA-N 400.258 2.667 50 40 HFGB O=C(Cn1nnc(-c2ccccc2Cl)n1)N/N=C/c1cccc(Br)c1 408973680 OGFSASKTHJXEJG-DJKKODMXSA-N 419.670 2.906 50 40 HFGB O=C(N/N=C/c1cccc(Cl)c1Cl)c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 6423763 DVDVPIHDHNGVFV-FBCYGCLPSA-N 406.185 2.902 50 40 HFGB O=C(COc1ccc(/C=N/NC(=O)c2ccncc2)cc1)Nc1ccc([N+](=O)[O-])cc1 12428952 ZPRGDIQWFWDIHN-YDZHTSKRSA-N 419.397 2.771 50 40 HFGB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)NNC(=O)CSc1ccc(C)cc1)(C3)C2 12672540 OGOOVWANEYLPNQ-RGMRCXJASA-N 415.559 2.710 50 40 HFGB CN1CCN(c2ccc([N+](=O)[O-])cc2/C=N/NC(=O)c2ccc(Cl)cc2)CC1 15226352 JVEBKGMLBOCCBV-FYJGNVAPSA-N 401.854 2.764 50 40 HFGB C/C(=N\NC(=O)CN(c1ccccc1)S(C)(=O)=O)c1cccc(Br)c1 19954034 OTXRZXPVKOFMDZ-CPNJWEJPSA-N 424.320 2.756 50 40 HFGB COc1cccc(NC(=O)C(=O)N/N=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 83295947 SWTWWNMTXFPHSW-MTJSOVHGSA-N 408.370 2.952 50 40 HFGB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=N/NC(=O)COc1cccc2cccnc12 408740720 LWHDRWGSTRLGCU-VQXFCIMOSA-N 401.426 2.755 50 40 HFGB COc1ccc(OCC(=O)N/N=C\c2cc(Br)cc([N+](=O)[O-])c2O)cc1 409095491 BHUHARYBEIAPJK-LSCVHKIXSA-N 424.207 2.601 50 40 HFGB COc1cc(/C=C(\C#N)C(=O)N2CCCC2)cc(I)c1OC 409372213 MCHOKICDLVCTIU-KPKJPENVSA-N 412.227 2.838 50 40 HFGB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NNC(=O)COc1cc(C)ccc1C 15430342 ZMUAPOQHQJKJQB-FQEVSTJZSA-N 407.470 2.794 50 40 HFGB O=C(CNC(=O)Nc1ccc(Cl)c(Cl)c1)N/N=C\c1ccc2c(c1)OCO2 31760909 ZTYVUSMGJVAGDK-YXSASFKJSA-N 409.229 2.994 50 40 HFGB Cc1ccnc(N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)c1 100567686 SMKAHUWIHPYMHD-MBBWPEKLSA-N 414.097 2.672 50 40 HFGB Cc1c([N+](=O)[O-])cc(C(=O)NNC(=O)c2cccc(Br)c2)cc1[N+](=O)[O-] 408724032 CPRBGWVMMPUTLH-UHFFFAOYSA-N 423.179 2.649 50 40 HFGB N#C/C(=C\c1ccc(OCC(N)=O)c(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 409223149 GTORVVMGOMIYMF-WUXMJOGZSA-N 400.778 2.658 50 40 HFGB COc1ccc(OC)c([C@H]2C(C#N)=C(N)N(c3nc[nH]n3)C3=C2C(=O)CC(C)(C)C3)c1 5408213 MKSUMMGQDQUKNL-SFHVURJKSA-N 420.473 2.763 50 40 HFGB Cc1c(C(=O)NNS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)oc2ccccc12 7380292 WWDRZHNKCYSBNR-UHFFFAOYSA-N 409.807 2.926 50 40 HFGB Cc1cc2c(c(=O)n1C)[C@]1(C(=O)N(Cc3ccccc3)c3ccccc31)C(C#N)=C(N)O2 9743037 ZRYGYMWLHDQUEV-RUZDIDTESA-N 424.460 2.613 50 40 HFGB CC(C)Oc1ccc(C(=O)NNC(=O)CNC(=O)c2ccc(Cl)cc2Cl)cc1 12912695 SOEYSVHHQDDRSF-UHFFFAOYSA-N 424.284 2.972 50 40 HFGB O=C(Oc1c(/C=N\NC(=O)c2ccco2)cccc1[N+](=O)[O-])c1ccc2c(c1)OCO2 30968130 OLXJQOTUGAQUHS-FBHDLOMBSA-N 423.337 2.900 50 40 HFGB CCCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccc3c(c2)OCO3)cc1OCC 59516226 NSFPLRCRQMXBIU-WSDLNYQXSA-N 413.430 2.692 50 40 HFGB CC1(C)[C@@]2(C(=O)NN)CC[C@]1(C(Br)Br)[C@@H]2Br 225603163 ILSUHDVXLKAOJW-DWFIKQFRSA-N 418.955 2.662 50 40 HFGB CSc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)cc1 409184030 HVMLMFNEHNGSBZ-UDWIEESQSA-N 405.545 2.942 50 40 HFGB O=C(CCN1CCN(c2ccccc2)CC1)N/N=C/C=C/c1ccccc1[N+](=O)[O-] 6080121 UKZGKGLVKFIYRI-BHNDIEGFSA-N 407.474 2.922 50 40 HFGB COCc1cc(C)nc(OCC(=O)N/N=C/c2cc(Cl)cc(Cl)c2O)c1C#N 16267821 BWYNRFRCBDSEPH-QPJQQBGISA-N 423.256 2.950 50 40 HFGB N#CC(C#N)=C(c1ccc(N2CCOCC2)s1)c1cnc(N2CCOCC2)s1 16430763 JHOJLFQECDWFCP-UHFFFAOYSA-N 413.528 2.727 50 40 HFGB CCS(=O)(=O)N(CC(=O)N/N=C(\C)c1ccc(C)cc1)c1ccc(OC)cc1 59490232 DIUZDTYQZCAKEF-LTGZKZEYSA-N 403.504 2.700 50 40 HFGB N#C/C(=C/c1ccccc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 97994594 MQMDFWPFGFGLHR-SSZFMOIBSA-N 405.439 2.823 50 40 HFGB COc1cc(/C=N\NC(=O)COc2cccc3cccnc23)c([N+](=O)[O-])cc1OC 409024926 ZDRIPRSRJNJFAP-JJFYIABZSA-N 410.386 2.689 50 40 HFGB CN(c1ccc(C(=O)N/N=C/c2ccccc2O)cc1)S(=O)(=O)c1ccccc1 18191696 RLBHXPIZQCMFJI-PXLXIMEGSA-N 409.467 2.981 50 40 HFGB COc1ccccc1/C=C/C=N/NC(=O)CN1CCN(Cc2ccc(C)cc2)CC1 19362367 WWLSJMDMWPDURW-NAHLOZMDSA-N 406.530 2.937 50 40 HFGB Cc1ccc(/C=N/NC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2)cc1 59443760 ULDGVEIBZXIRAE-HYARGMPZSA-N 411.483 2.929 50 40 HFGB COc1cc(/C=C(\C#N)C(=O)N2CCCC2)ccc1OS(=O)(=O)c1ccccc1 409368490 YLDHMRHABKGHDI-GHRIWEEISA-N 412.467 2.992 50 40 HFGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccn2)C2CCCCC2)cc1 4616671 VEADLRRWOFHRAY-HZHRSRAPSA-N 414.531 2.864 50 40 HFGB C[C@H](OC(=O)c1ccccc1NCc1ccco1)C(=O)NNC(=O)c1ccccc1 7371546 VZFKGXNUYHKOGJ-HNNXBMFYSA-N 407.426 2.898 50 40 HFGB O=C(NN/C=C1\C(=O)N(c2ccc(Cl)cn2)C(=O)c2ccccc21)c1cccnc1 9491522 RGBVVECHGNDPKV-ATVHPVEESA-N 419.828 2.593 50 40 HFGB Cc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)NNC(=O)c2ccco2)c1 28928338 NERFXRGWPDTNFE-UHFFFAOYSA-N 413.455 2.772 50 40 HFGB COCCCNC(=O)CC(=O)N/N=C\c1cc(C)n(-c2ccccc2Cl)c1C 58914037 XTXUVRLJEHMKMI-QRVIBDJDSA-N 404.898 2.740 50 40 HFGB Cc1ccnc(N2C(=O)[C@H]3[C@@H]4C[C@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)c1 100567687 SMKAHUWIHPYMHD-BEQXCEGASA-N 414.097 2.672 50 40 HFGB O=C(CCl)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cc(Cl)ccc1Cl 101315962 UUBADZBZTOKRTR-HKLAFJFVSA-N 413.735 2.834 50 40 HFGB CCOc1ccc(N([C@@H](C)C(=O)N/N=C/c2cccc(C)c2)S(C)(=O)=O)cc1 408923968 ITDKMZXTFOKJPD-YIRPMMGJSA-N 403.504 2.699 50 40 HFGB COC(=O)COc1ccc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1OC 409249711 VHCCCSYGXHQAOJ-UYRXBGFRSA-N 408.454 2.903 50 40 HFGB CC(=O)Oc1cc(C(=O)Oc2ccc([N+](=O)[O-])cc2)cc(OC(C)=O)c1OC(C)=O 1410261 IPZROBXQXQJOEK-UHFFFAOYSA-N 417.326 2.590 50 40 HFGB CC(C)c1ccc(OCC(=O)N/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)cc1 2771407 FVETYPBMTJYLOB-DJKKODMXSA-N 402.363 2.861 50 40 HFGB CC1=CC(=O)[C@@H](Br)[C@@H](Br)/C1=N/S(=O)(=O)c1ccccc1 101051777 HSRUWLRUPQEIPE-ZFHNCLSMSA-N 421.110 2.872 50 40 HFGB O=C1[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C(=O)N1c1ccccc1O 102630477 PCMVWTQSMHUDDE-IMSYWVGJSA-N 403.070 2.819 50 40 HFGB COc1ccc(/C(C)=N/NC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1 408779177 BMBOAJVPDAKMAX-KGENOOAVSA-N 423.922 2.963 50 40 HFGB O=C(O)COc1cccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c1 408926801 YOOZVLZEHFPYJK-BUVRLJJBSA-N 404.422 2.536 50 40 HFGB COc1c(OC(C)=O)ccc(/C=N/NC(=O)COc2ccc(C)c(C)c2)c1[N+](=O)[O-] 1054326 UZYOGQRHVQGSKD-UFFVCSGVSA-N 415.402 2.675 50 40 HFGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccco2)c2ccccc2)cc1 19955832 GRHOQAIWOJZCEA-KGENOOAVSA-N 413.455 2.634 50 40 HFGB COc1ccc(N([C@H](C)C(=O)N/N=C/c2ccc(SC)cc2)S(C)(=O)=O)cc1 58918749 SBFAWVIGXSVBKD-GNUZOCDUSA-N 421.544 2.722 50 40 HFGB Cc1nc(CC(=O)N/N=C\c2ccc(Sc3nccn3C)c([N+](=O)[O-])c2)cs1 96708664 YCEPSZGQLFSVBF-OCKHKDLRSA-N 416.488 2.937 50 40 HFGB O[C@]12[C@H](Br)[C@H]3[C@H]4C[C@H]5[C@@H]3[C@@H]1[C@@](O)(c1c(F)c(F)c(F)c(F)c1F)[C@H]5[C@@H]42 103914568 IODPQNWDBGXUDE-JMTPUHHSSA-N 423.175 2.836 50 40 HFGB CCOc1ccc(/C=N\NC(=O)c2nn(-c3ccccc3C)c(=O)c(C#N)c2C)cc1 409058742 KVRSQPHIMBORLK-QFEZKATASA-N 415.453 2.884 50 40 HFGB NC(=NNC(=O)c1ccc([N+](=O)[O-])cc1)c1cc2c(ccc3ccccc32)oc1=O 2087159642 WFNLZISEJMEXQR-UHFFFAOYSA-N 402.366 2.905 50 40 HFGB COc1ccc(C(=O)NNC(=O)CCc2ccccc2)cc1I 670849 YXSCMFWJZMJDGD-UHFFFAOYSA-N 424.238 2.694 50 40 HFGB Cc1cc2c(c(=O)n1Cc1ccccn1)[C@H](c1ccc3c(c1)OCO3)C(C#N)=C(N)O2 1471752 JXQKAIXZGNUFJJ-HXUWFJFHSA-N 414.421 2.547 50 40 HFGB O=C(Cc1ccccc1)NN1C(=O)[C@@H](Cl)[C@@H]1c1cc(Br)ccc1O 1632082 KLEYOPKIZRULRG-HOTGVXAUSA-N 409.667 2.919 50 40 HFGB Cc1ccc(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1 408864168 WYYBKSYELLALLR-LANLRWRYSA-N 405.907 2.952 50 40 HFGB CN(C)c1ccc(/C=N/NC(=O)Cc2nnc(NC(=O)c3ccccc3)s2)cc1 806042 BZHMFUSRCZSURA-FYJGNVAPSA-N 408.487 2.549 50 40 HFGB Cc1cc(/C=N/NC(=O)c2cccs2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 4675901 NBAAAKBMNAYIRZ-RGVLZGJSSA-N 402.501 2.567 50 40 HFGB COC(=O)c1c(NC(=O)C(=O)N/N=C(\C)c2ccc(F)cc2)sc2c1CCC2 5178172 BRLVDTFHIZZDEN-LSHDLFTRSA-N 403.435 2.641 50 40 HFGB O=C(N/N=C/c1ccc(O)cc1O)c1cccc(N/N=C/c2ccc(O)cc2O)c1 5959657 ADMUMWJDQHUKSB-LCHFAGMQSA-N 406.398 2.719 50 40 HFGB O=C(Cc1ccc(Cl)cc1)NNC(=S)NC(=O)c1ccc(Br)o1 12137241 KZKAOLKXMZRRCP-UHFFFAOYSA-N 416.684 2.574 50 40 HFGB Cc1ccc(C(C)C)c(OCC(=O)N/N=C2/C(=O)N(CN(C)C)c3ccccc32)c1 100711022 BPKBFQFLACBQLG-YYDJUVGSSA-N 408.502 2.883 50 40 HFGB C=CCNC(=O)C(=O)N/N=C/c1cc(C)n(-c2cccc(Br)c2)c1C 408879617 BZTXEBYIYVXFNC-SRZZPIQSSA-N 403.280 2.609 50 40 HFGB COc1ccc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1OC 725502 DSVGQPJYIKMPFB-HYLGSWLWSA-N 401.850 2.860 50 40 HFGB COc1ccc(OCC(=O)N/N=C/c2ccccc2[N+](=O)[O-])c(Br)c1 1437681 CAWLCUHBNRZRLR-GIJQJNRQSA-N 408.208 2.895 50 40 HFGB CN(CC(=O)N/N=C/c1cccc(Cl)c1Cl)S(=O)(=O)c1ccc(F)cc1 16187108 UXDDKSVSGQIYAM-AWQFTUOYSA-N 418.277 2.903 50 40 HFGB Cc1cc(C(F)(F)F)nn1C[C@H](C)C(=O)N/N=C/c1ccn(CC(F)(F)F)n1 252498352 QZKLJFRQWXODRQ-KWVVOLJHSA-N 410.322 2.756 50 40 HFGB O=C(COc1ccccc1F)NNC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 5635953 NDMTYOUURSYZDK-UHFFFAOYSA-N 416.409 2.564 50 40 HFGB COc1cc(C(=O)NNC(=O)c2ccc3c(c2)OCO3)ccc1OCCC(C)C 6787473 ZNUIYHDAECDGPE-UHFFFAOYSA-N 400.431 2.924 50 40 HFGB O=C(CNS(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2ccccc2)cc1 17420259 HEVMLAAOXUXASZ-HZHRSRAPSA-N 423.494 2.694 50 40 HFGB CN(C)CN1C(=O)/C(=N\NC(=O)c2cccs2)c2cc(Br)ccc21 20215571 JWOBCXPNDPIPHN-JXAWBTAJSA-N 407.293 2.510 50 40 HFGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccncc3)cc2)cc1 28214948 NFVUVXVPIGLTQN-ZVHZXABRSA-N 404.426 2.872 50 40 HFGB CCOC(=O)Cn1cc(/C=N/NC(=O)c2cccc(NC(C)=O)c2)c2ccccc21 33737470 SJKLWKPOOXHGAG-FSJBWODESA-N 406.442 2.927 50 40 HFGB COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)N/N=C\c1ccc(C(C)C)cc1 39986740 BQUVTUDRIWYNQG-XKZIYDEJSA-N 417.531 2.898 50 40 HFGB Cc1cccc(C)c1OCC(=O)N/N=C1/C(=O)Nc2ccc(Br)cc21 100030210 RJWKWLMWSZQKER-UHFFFAOYSA-N 402.248 2.917 50 40 HFGB O=C1[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C(=O)N1Nc1ccccc1 250544014 XEUZBZLQQASJJG-DZDPUUJWSA-N 414.097 2.791 50 40 HFGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N/NC(=O)c3ccccc3)o2)cc1 408866110 FRRYLJQOTYTWTD-ZVHZXABRSA-N 404.426 2.607 50 40 HFGB CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1cccc2ccccc12 9422403 UDFDNMAWGPYDSP-JJBLJPBOSA-N 421.478 2.532 50 40 HFGB COc1ccc(/C(C)=N/NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)cc1 19955415 KLNFDFQUKFJTPQ-LTGZKZEYSA-N 403.504 2.618 50 40 HFGB Cc1ccc(-n2c(C)cc(/C=N\NC(=O)CC(=O)NCc3cccnc3)c2C)cc1 58914252 YLSRQSUKJVCSDU-YSMPRRRNSA-N 403.486 2.954 50 40 HFGB O=C(CCl)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1C(F)(F)F 101308592 WRKUVEZEOVALTC-NCVPNVLXSA-N 412.842 2.546 50 40 HFGB CCc1ccc(N(CC(=O)N/N=C(\C)c2ccc(OC)cc2)S(C)(=O)=O)cc1 409028553 OTXNBGIJXBVYRN-RCCKNPSSSA-N 403.504 2.564 50 40 HFGB Cc1n[nH]c2c1[C@@]1(C(=O)N(Cc3cccc(F)c3)c3ccccc31)C(C#N)=C(N)O2 4741512 JBDWQYNWZDYJRH-QFIPXVFZSA-N 401.401 2.776 50 40 HFGB Cc1ccc(C)c(OCC(=O)N/N=C2/C(=O)N(C)c3ccc(Br)cc32)c1 13943018 CXBUOJHGICLQFV-RELWKKBWSA-N 416.275 2.942 50 40 HFGB COc1cc(Br)ccc1OCC(=O)N/N=C/c1cccc([N+](=O)[O-])c1O 15134203 BZGBWRXAAOAROA-QGMBQPNBSA-N 424.207 2.601 50 40 HFGB O=C(CSc1nc2ccccc2s1)NNC(=O)c1cc2ccccc2oc1=O 15891811 JCWXDVITTLGEIZ-UHFFFAOYSA-N 411.464 2.956 50 40 HFGB C[C@]12Sc3[nH]c(=O)sc3[C@H](c3ccc(O)cc3)[C@@H]1[C@H]1C[C@H]2[C@H]2C(=O)OC(=O)[C@@H]12 245228635 ADHPPXRKHNHSEK-IDUCXOBJSA-N 415.492 2.720 50 40 HFGB Cc1ccc(NC(=S)NNC(=O)CCn2nc(C)c(Br)c2C)cc1 2731788 BQURKBCDYRKTNI-UHFFFAOYSA-N 410.341 2.979 50 40 HFGB O=C(CCNC(=O)c1ccc(Cl)cc1)NNC(=O)c1cc2ccccc2cc1O 14198834 MYVXPZGUNJLGSC-UHFFFAOYSA-N 411.845 2.780 50 40 HFGB COC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 58881410 MXEGPZBUIJSRHJ-ZVBGSRNCSA-N 424.240 2.634 50 40 HFGB CCN(CC)c1ccc(/C=N/NC(=O)CN(c2ccccc2F)S(C)(=O)=O)cc1 408775895 WEVDCQOGKLNLNE-HYARGMPZSA-N 420.510 2.588 50 40 HFGB COCCNC(=O)Cn1cc(/C=C(\C#N)C(=O)NCc2ccccc2)c2ccccc21 1902346 CGPKPTWZBFBDLK-CPNJWEJPSA-N 416.481 2.627 50 40 HFGB N#CCCN(NC(=O)c1cccc2ccccc12)C1=NS(=O)(=O)c2ccccc21 4892705 HGGLNMADNNKHCF-UHFFFAOYSA-N 404.451 2.849 50 40 HFGB CCOc1ccc([C@@H]2[C@@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OCC 20026658 KFWYOMRYYBKSQR-WIYYLYMNSA-N 403.486 2.839 50 40 HFGB COc1cc(/C=N\NC(=O)[C@@H]2COc3ccccc3O2)cc(Br)c1OC 36040361 IYOKCFSJSJKJHS-DMOKECBHSA-N 421.247 2.756 50 40 HFGB O=C(N/N=C/c1cccs1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 59921531 KMYCMHAYPJZLGN-XDHOZWIPSA-N 411.936 2.953 50 40 HFGB CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)C=O 299888340 FYBUNPMLSYQEME-ZJIFWQFVSA-N 408.684 2.680 50 40 HFGB O=C(N/N=C/c1cccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1)c1ccco1 408752656 JAVNTTWXSHWZTP-XDHOZWIPSA-N 415.383 2.719 50 40 HFGB CCc1ccc(N(CC(=O)N/N=C/c2ccc(OC(C)C)cc2)S(C)(=O)=O)cc1 409029290 YMYILUJFKURBQE-HYARGMPZSA-N 417.531 2.953 50 40 HFGB Cc1ccc(C(C)C)c(OCC(=O)N/N=C2\C(=O)N(CN(C)C)c3ccccc32)c1 2275882 BPKBFQFLACBQLG-LVWGJNHUSA-N 408.502 2.883 50 40 HFGB N#CCOc1ccccc1/C=N/NC(=O)c1ccc(I)cc1 10476087 WNHUIDNMJVKNDN-YBFXNURJSA-N 405.195 2.957 50 40 HFGB COC(=O)COc1ccc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1 13424399 RFXFCGXHAFWAEZ-PDGQHHTCSA-N 403.438 2.986 50 40 HFGB Cc1ccccc1N(CC(=O)N/N=C/c1ccccc1C(F)(F)F)S(C)(=O)=O 20207467 MGDPILVQUFETLV-SSDVNMTOSA-N 413.421 2.930 50 40 HFGB CCOc1cc(/C=N\NC(=O)CN2CCOCC2)ccc1OCc1ccccc1F 59246451 FEWYDIXNIKSJEJ-OYKKKHCWSA-N 415.465 2.586 50 40 HFGB Cc1ccc2c(=O)c(/C=N/NC(=O)CCC(=O)Nc3cccc(C(=O)O)c3)coc2c1 1950622 LXWPOWHMFYTTNB-FOKLQQMPSA-N 421.409 2.669 50 40 HFGB COc1ccc(NC(=O)CCC(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)cc1 5025955 UIQIBQQSSQVPIK-LPYMAVHISA-N 415.446 2.590 50 40 HFGB O=C(N/N=C/c1ccc(O)cc1O)c1ccccc1NS(=O)(=O)c1cccs1 6131280 NEBUEFMPCBNFDV-YBFXNURJSA-N 417.468 2.724 50 40 HFGB Cc1ccc(C(=O)NNC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)cc1C 7273279 UYSASQXUYRZXEO-UHFFFAOYSA-N 412.467 2.945 50 40 HFGB O=C(NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)c1ccccc1F 9366473 NOCWAVOZCDFWAP-UHFFFAOYSA-N 416.412 2.659 50 40 HFGB COc1ccc(C)c2sc(NNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)nc12 9381896 QMCGVTAQGVKUEV-UHFFFAOYSA-N 420.516 2.621 50 40 HFGB C[C@H](NC(=O)c1ccco1)C(=O)NNC(=O)c1ccc(-c2ccc(F)cc2)s1 21971344 YFVKDTBOIWRGPM-NSHDSACASA-N 401.419 2.727 50 40 HFGB CS(=O)(=O)N(CC(=O)N/N=C\c1ccccc1C(F)(F)F)C1CCCCC1 33571473 WFQHFHBKYORMBI-NHDPSOOVSA-N 405.442 2.750 50 40 HFGB CCS(=O)(=O)[C@H](I)[C@@H](O)c1ccc(Br)cc1 96519234 WXAFQPBGYIGPHD-UWVGGRQHSA-N 419.078 2.678 50 40 HFGB COC(=O)COc1ccc(/C=N/NC(=O)CSCc2cccc([N+](=O)[O-])c2)cc1 408728281 ZARMGMROKJWRMV-KEBDBYFISA-N 417.443 2.530 50 40 HFGB COc1cc(OC)cc(C(=O)N/N=C/c2cc3c(cc2Br)OCO3)c1 5512183 SWRFHMRVMIIFHG-UFWORHAWSA-N 407.220 2.959 50 40 HFGB CN(Nc1ncc([N+](=O)[O-])cc1Cl)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 97163728 FPQYOEVOMMLMPK-UHFFFAOYSA-N 414.850 2.575 50 40 HFGB COc1ccc(-n2nc(C(=O)N/N=C\c3cccc(Cl)c3)c(C)c(C#N)c2=O)cc1 409061640 YVXXTASSNDKRQW-MSXFZWOLSA-N 421.844 2.839 50 40 HFGB N#C/C(=C\c1ccc2c(c1)OCO2)C(=O)OCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 3252752 ARKPXKJRAGOKSE-LFYBBSHMSA-N 413.317 2.551 50 40 HFGB CCc1n[nH]c2c1[C@]1(C(=O)N(CCc3ccccc3)c3ccccc31)C(C#N)=C(N)O2 5218886 CPTPRWNAZNZUIB-XMMPIXPASA-N 411.465 2.934 50 40 HFGB N#CCCN(C(=O)COC(=O)/C(C#N)=C\c1ccc2c(c1)OCO2)c1ccccc1 6452722 BPIXEHLADPNBFC-BOPFTXTBSA-N 403.394 2.812 50 40 HFGB C/C(=N\NC(=O)c1ccc(O)cc1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 12531528 DVTKXKIKNYRCBK-HYARGMPZSA-N 413.455 2.618 50 40 HFGB CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(I)c1O 33737084 YQUOFLVBQMKXQG-WZUFQYTHSA-N 400.216 2.827 50 40 HFGB Cc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c(C)n1-c1ccc(C(N)=O)cc1 34688218 VSPHLVRUSQCUNU-CFRMEGHHSA-N 419.441 2.794 50 40 HFGB COc1cccc(C(=O)N/N=C/c2cc(Br)c(N3CCOCC3)o2)c1 59247994 OOOKGCKOOUIQPA-YBFXNURJSA-N 408.252 2.651 50 40 HFGB CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)ccc1OCC(N)=O 59921958 GUAYALQTTKXFFO-YSURURNPSA-N 409.364 2.732 50 40 HFGB CCOc1ccc(/C(C)=N/NC(=O)CN(c2ccccc2CC)S(C)(=O)=O)cc1 408782225 FVBODFHUSXQLKL-CJLVFECKSA-N 417.531 2.954 50 40 HFGB COCCCNC(=O)/C(C#N)=C/c1c(Oc2ccccc2F)nc2ccccn2c1=O 2404233 OPRKMYRGMHPGMA-FYWRMAATSA-N 422.416 2.686 50 40 HFGB COc1ccc(OCC(=O)N/N=C/c2cc(Br)c(O)c(OC)c2)cc1 2675496 FYGXNEGYWHFPIM-DJKKODMXSA-N 409.236 2.701 50 40 HFGB COc1ccc([C@@H]2C(C#N)=C(N)N(c3nc[nH]n3)C3=C2C(=O)CC(C)(C)C3)c(OC)c1 5408204 TTZACZMISBAMDC-GOSISDBHSA-N 420.473 2.763 50 40 HFGB CCOc1ccc(Br)cc1[C@H]1C(C#N)=C(N)OC(COC)=C1C(=O)OC 13739073 JHKHOBPPNWVXSV-HNNXBMFYSA-N 423.263 2.729 50 40 HFGB COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)ccc1O[C@H](C)C(=O)O 409020059 LRWJSMYUHZZLRO-FZTAQKCPSA-N 406.822 2.730 50 40 HFGB CCOC(=O)N1CC=C2[C@@H](C1)[C@H](c1ccc(OC)cc1)C(C#N)=C(N)C2(C#N)C#N 664255 CHZKRPLYBPFOJZ-IEBWSBKVSA-N 403.442 2.577 50 40 HFGB C=CCc1cccc2cc(C(=O)NNC(=O)c3ccc(OC)c(OC)c3)c(=O)oc12 860691 ALFKJCUJBZFDKE-UHFFFAOYSA-N 408.410 2.614 50 40 HFGB O=C(N/N=C/c1ccco1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 3470437 OWQMOBGKYPONQH-PPMYHTGOSA-N 403.394 2.930 50 40 HFGB C=CCOc1ccc(/C=N/NC(=O)CNC(=O)CCCc2ccc(OC)cc2)cc1 4655887 FELWMMRYDJJSMO-PCLIKHOPSA-N 409.486 2.849 50 40 HFGB Cc1cc2nnc(SCC(=O)NNC(=O)COc3ccccc3)n2c2ccccc12 6195122 ZGMFUYWMZBDOCE-UHFFFAOYSA-N 421.482 2.509 50 40 HFGB C/C(=N\NC(=O)[C@H](c1ccncc1)N1CCOCC1)c1ccc(Br)cc1 20057324 UMKJFMQKFRRBBY-OVBDPADQSA-N 417.307 2.758 50 40 HFGB Cc1cc(/C=N/NC(=O)C(=O)NC(C)C)c(C)n1-c1ccc(Br)cc1 58903873 WAZURRLECGAQGY-KEBDBYFISA-N 405.296 2.831 50 40 HFGB COc1ccc(CNC(=O)/C(C#N)=C/c2cc(OC)c(OC)c(OC)c2)c(OC)c1 408872732 PHIOMMBZQRBXJY-LZYBPNLTSA-N 412.442 2.953 50 40 HFGB CC(C)(C)C1CCC(C(=O)OCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CC1 11342749 TYLBHROPWUXODA-UHFFFAOYSA-N 405.451 2.752 50 40 HFGB N#CC1=C(S)NC(=S)[C@H]([n+]2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 101362822 VHMUVWYQGJEESQ-HUUCEWRRSA-O 414.448 2.711 50 40 HFGB COc1cc(OC)cc(C(=O)N/N=C/c2cc([N+](=O)[O-])cc(Br)c2O)c1 105958931 CGPUHYRSTGSOHP-QGMBQPNBSA-N 424.207 2.844 50 40 HFGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)cc1 20208115 SMUVBEFIUIVQFH-HYARGMPZSA-N 415.515 2.785 50 40 HFGB Cc1c(C(=O)NNC(=O)c2cc(Br)c[nH]2)[nH]c2c1C(=O)CC(C)(C)C2 24123356 FTUYMYHLBHWEOE-UHFFFAOYSA-N 407.268 2.644 50 40 HFGB O=C(NNC(=O)c1ccccc1NC(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 409003754 UQTQQCPNOUTRJF-UHFFFAOYSA-N 404.382 2.922 50 40 HFGB CCc1ccc(-n2nc(C(=O)N/N=C\c3ccc(OC)cc3)c(C)c(C#N)c2=O)cc1 409055329 KXLUQHZHYIFABX-QFEZKATASA-N 415.453 2.748 50 40 HFGB Cc1ccc(N2C(=O)[C@H](Cc3ccccc3[N+](=O)[O-])S/C2=C(/C#N)C(N)=O)cc1 1887544 GVNLCDLCFJZBBN-SWEXZPIWSA-N 408.439 2.815 50 40 HFGB C[C@H]1C[C@@H]1C(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 17520358 HGRDGERYUQDWHC-ZBEGNZNMSA-N 407.879 2.558 50 40 HFGB N#C/C(=C\c1ccc(OCC(N)=O)cc1)C(=O)Nc1cccc(Br)c1 408793188 DJHAJUQIBBMYEX-MDWZMJQESA-N 400.232 2.859 50 40 HFGB Cc1ccc(-n2nc(C(=O)N/N=C\c3ccc(N(C)C)cc3)c(C)c(C#N)c2=O)cc1 409058919 ZPZAZKSVVFJGEY-QFEZKATASA-N 414.469 2.551 50 40 HFGB CN(C)c1ccc(/C=N/NC(=O)CNc2ccc(I)cc2)cc1 1424079 XGXPEKUDIBBVGF-RGVLZGJSSA-N 422.270 2.919 50 40 HFGB COC(=O)c1ccc(/C=N/NC(=O)COc2ccc(Br)cc2OC)cc1 1433745 VBRPNPWMGRQQEU-KEBDBYFISA-N 421.247 2.773 50 40 HFGB C/C(=N\NC(=O)c1ccc(CSc2nncn2C)cc1)c1ccc2c(c1)OCO2 5164288 ZOLYCPLZJKQNSG-LPYMAVHISA-N 409.471 2.990 50 40 HFGB COc1cccc(OC)c1/C=N/NC(=O)C(=O)Nc1cccc(Br)c1 6583682 IKKBCXAVWZHBKW-VXLYETTFSA-N 406.236 2.555 50 40 HFGB Cc1nn(Cc2ccccc2)c(C)c1/C=N/NC(=O)c1n[nH]c(=O)c2ccccc12 8045233 AUNXDIZDGGMAOI-FSJBWODESA-N 400.442 2.549 50 40 HFGB O=C(N/N=C\c1cn(CC(=O)N2CCOCC2)c2ccccc12)Nc1ccc(F)cc1 408962723 TXJLIINVAHWYIS-CFRMEGHHSA-N 423.448 2.795 50 40 HFGB Cc1c(C(=O)N/N=C/c2cc(Br)ccc2O)sc2ncnc(N)c12 408973922 QSYYPFZGIBIBLX-DENHBWNVSA-N 406.265 2.814 50 40 HFGB O=C(COc1ccc(Br)cc1)NNC(=O)c1ccc2ccccc2n1 5823644 HXZWMXHFJAHNRS-UHFFFAOYSA-N 400.232 2.837 50 40 HFGB CCOc1ccc(N2C[C@H](C(=O)NN/C(C)=C/C(=O)c3ccccc3)CC2=O)cc1 6351276 VGMJWNZEGWCGEQ-IYICPGQYSA-N 407.470 2.846 50 40 HFGB Cc1ccc(C(=O)NNC(=O)C[C@H]2SC(=S)N(Cc3ccccc3)C2=O)cc1 9189418 GBXYXRBZZRDFGZ-MRXNPFEDSA-N 413.524 2.575 50 40 HFGB CN(C)c1ccc(/C=N\NC(=O)CNc2ccc3c(c2)OCO3)cc1Br 38534812 MVVINAOLFGSOBG-NKVSQWTQSA-N 419.279 2.806 50 40 HFGB CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)NN)[C@@H]2Br 217605156 ILSUHDVXLKAOJW-BDGWPESGSA-N 418.955 2.662 50 40 HFGB COc1ccc(Cl)cc1N(CC(=O)N/N=C(\C)c1ccc(C)cc1)S(C)(=O)=O 408768828 JYRSDIPGPHJBAE-KGENOOAVSA-N 423.922 2.963 50 40 HFGB COc1cc(/C=N/NC(=O)CNc2ccc(F)cc2)cc(Cl)c1OCC(=O)O 409344951 JSRQZSSJTAMXMM-GZIVZEMBSA-N 409.801 2.513 50 40 HFGB Cc1ccc(-c2cc(C(=O)NNC(=O)CN3CSCC3=O)c3ccccc3n2)cc1 12785239 BQTLJXYEAMTUTF-UHFFFAOYSA-N 420.494 2.504 50 40 HFGB COc1ccc(N(CC(=O)N/N=C/c2ccc(C(C)C)cc2)S(C)(=O)=O)cc1 20060428 ZEDNSTSCDWWNJH-FYJGNVAPSA-N 403.504 2.735 50 40 HFGB C/C(CC(=O)Nc1ccc(I)cc1)=N/NC(=O)c1cccnc1 103612837 RRLPRWXQMGPVNR-JAIQZWGSSA-N 422.226 2.821 50 40 HFGB CCOc1ccc(/C(C)=N/NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)cc1 408774209 BATCQKIKFNEQGK-KGENOOAVSA-N 407.467 2.531 50 40 HFGB CCOC(=O)COc1ccc(/C=N/NC(=O)COc2ccccc2Cl)cc1OC 408910558 HBWIYGVOYHVLCV-SSDVNMTOSA-N 420.849 2.820 50 40 HFGB COC(=O)COc1c(Cl)cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1OC 409250583 RECZJDDOIICCBA-YVNNLAQVSA-N 408.813 2.732 50 40 HFGB O=C(CNC(=O)C(c1ccccc1)c1ccccc1)N/N=C/c1ccc2c(c1)OCO2 2311784 FOSKKYNMYNPEGP-VULFUBBASA-N 415.449 2.814 50 40 HFGB Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=N/NC(N)=O)cc1 4550273 WOHNDFYAXSAFIX-GIJQJNRQSA-N 412.265 2.527 50 40 HFGB C/C(N)=C(\C#N)C(=O)CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1 104429653 LFLMAZHZBDMTGB-WMJYUBJYSA-N 401.467 2.681 50 40 HFGB C[C@@H](CCc1ccccc1)NC(=O)CCC(=O)NNC(=O)Cn1ccc2ccccc21 199413396 DUUSZDPKBJWNIZ-SFHVURJKSA-N 420.513 2.706 50 40 HFGB CCCCNC(=O)/C(C#N)=C1\N=C(NC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21 5304426 HQKODJPSLSKBGV-HNENSFHCSA-N 417.425 2.936 50 40 HFGB O[C@]12[C@H](Br)[C@H]3[C@H]4C[C@@H]5[C@H]3[C@@H]1[C@@](O)(c1c(F)c(F)c(F)c(F)c1F)[C@H]5[C@@H]42 103914561 IODPQNWDBGXUDE-QZJZIBNBSA-N 423.175 2.836 50 40 HFGB COc1ccccc1-n1nc(C(=O)N/N=C\c2ccccc2Cl)c(C)c(C#N)c1=O 409056857 OPUSRUGTCGZYBV-MSXFZWOLSA-N 421.844 2.839 50 40 HFGB CCOc1ccc(N([C@H](C)C(=O)N/N=C/c2sccc2C)S(C)(=O)=O)cc1 4603254 GYDQRYUZGJYATF-ONDHQXCVSA-N 409.533 2.760 50 40 HFGB Cc1n[nH]c2c1[C@]1(C(=O)N(Cc3ccccc3F)c3ccccc31)C(C#N)=C(N)O2 5196121 NXKBGQXKMNVNQO-JOCHJYFZSA-N 401.401 2.776 50 40 HFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1Cl)c1ccc(Cl)cc1 19954196 OXQJHQSNFOAMRC-VXLYETTFSA-N 400.287 2.910 50 40 HFGB Cc1ccc(SCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 59437013 OJLCQTURHCKABI-FYJGNVAPSA-N 414.487 2.982 50 40 HFGB O=C(N/N=C/c1cc(Br)ccc1O)[C@@H]1CC(=O)N(c2ccccc2)C1 409150435 BWUCWHAHQBULII-RNDVCUHJSA-N 402.248 2.658 50 40 HFGB CCOC(=O)c1cc(-c2ccc(/C=N/NC(=O)CN3CCOCC3)o2)ccc1Cl 409215699 DRDZDYFOCGVHCR-WSDLNYQXSA-N 419.865 2.559 50 40 HFGB CCc1ccccc1NC(=O)COc1ccccc1/C=N/NC(=O)C(=O)N[C@H](C)CC 409247974 FJAAFXYFYOXCRH-HUSFYUSLSA-N 424.501 2.631 50 40 HFGB C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N/N=C/c1ccccc1C(F)(F)F 3201419 RXOHWYFVTAXYJJ-ZOCVZFIWSA-N 408.336 2.882 50 40 HFGB CNC(=O)/C(C#N)=C1/S[C@@H](Cc2ccc(OC)cc2)C(=O)N1c1ccccc1OC 11690304 UVZQGUQUZASOSJ-QZMYASAMSA-N 423.494 2.876 50 40 HFGB O=C(CN1CCOCC1)N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1 22633598 VYSJGNNRYCRRJU-CIAFOILYSA-N 418.837 2.823 50 40 HFGB O=C(N/N=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1 58914794 HHXNRCQXFQYIRT-JAIQZWGSSA-N 423.341 2.852 50 40 HFGB N#C/C(=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)Nc1cccc(C(=O)O)c1 408543896 QLDDAJQJZJYCPB-YBEGLDIGSA-N 422.397 2.675 50 40 HFGB C[C@@H](Oc1ccc(/C=N\NC(=O)COc2cccc(Br)c2)cc1)C(=O)O 408844131 HCBSWXCVZCBGJB-SVKBEJCWSA-N 421.247 2.830 50 40 HFGB O=C(NNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 408998617 RMJIOKPSEQRUSA-UHFFFAOYSA-N 404.382 2.922 50 40 HFGB CCOc1ccc(N2C[C@H](C(=O)N/N=C/c3cc(OC)ccc3OC)CC2=O)cc1 6962919 KXAAAIKREHGNPY-DXRSZSRVSA-N 411.458 2.606 50 40 HFGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2c(Cl)cccc2Cl)cc1OC 59515609 GTCHKZHLCMHMDP-FOKLQQMPSA-N 424.284 2.820 50 40 HFGB C/C(=N\NC(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O)c1ccccc1O 408771258 FFICRVSSBKWWKE-DEDYPNTBSA-N 409.895 2.660 50 40 HFGB COc1cc(Br)c(O)c(/C=N/NC(=O)c2ccc(OC)cc2OC)c1 6145641 LHDSBYPTTQKKOH-DJKKODMXSA-N 409.236 2.944 50 40 HFGB O=C(NNC(=O)c1ccccc1OC[C@@H]1CCCO1)c1cc(-c2ccccc2)n[nH]1 12560444 MDEHXQLKXPYYAC-INIZCTEOSA-N 406.442 2.709 50 40 HFGB CCOc1ccc(C(=O)NNC(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)cc1 12853611 WZULPIHDLFGLFL-UHFFFAOYSA-N 408.433 2.974 50 40 HFGB COc1ccc(N(CC(=O)N/N=C(\C)c2ccc(Cl)cc2)S(C)(=O)=O)cc1 20060460 QGJXWUKGQIURAM-DEDYPNTBSA-N 409.895 2.655 50 40 HFGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)ccc1OCC(=O)OC 33708327 HBMDOYUZPVYMPP-SXGWCWSVSA-N 424.409 2.881 50 40 HFGB C[C@H]1CCCCN1c1ccc(/C=C(\C#N)c2nn(CCO)c(N)c2C#N)cc1[N+](=O)[O-] 408974941 GJAHUYYYTKXBOS-KNGSKEOJSA-N 421.461 2.680 50 40 HFGB CCc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)c(O)c(OC)c2)cc1 409166657 DRVYQYBBOYYHLW-KEBDBYFISA-N 420.263 2.815 50 40 HFGB CCOc1cc(I)cc(/C=N/NC(=O)c2ccncc2)c1O 725089 ZQIRDFUZXFCWBN-GIJQJNRQSA-N 411.199 2.554 50 40 HFGB Cc1ccc(NC(=O)CCC(=O)NNS(=O)(=O)c2ccc(Cl)cc2)c(C)c1 5006418 ITTGXPSQAREMSS-UHFFFAOYSA-N 409.895 2.685 50 40 HFGB CCn1c(NNC(=O)[C@H](NC(=O)C2CCCCC2)C(C)C)nc2ccccc2c1=O 11166116 MCZJCNISHCYYBF-GOSISDBHSA-N 413.522 2.581 50 40 HFGB O=C(NNC(=O)c1c(F)cccc1F)c1ccc(=O)n(Cc2ccc(Cl)cc2)c1 16839348 AFGLFMPHWKSQGT-UHFFFAOYSA-N 417.799 2.903 50 40 HFGB COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(C)n(Cc3ccccn3)c(=O)c21 37866389 KPMFOWCPVGLLKH-HXUWFJFHSA-N 400.438 2.827 50 40 HFGB C/C(=N\NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1)c1cccc(Br)c1 409135651 QTYAPWZRWFYMGT-XDHOZWIPSA-N 424.320 2.999 50 40 HFGB CCOc1cc(Br)cc(/C=N\NC(=O)[C@H]2COc3ccccc3O2)c1O 9018976 YZYFSXGRURRFAS-PADWCVLASA-N 421.247 2.844 50 40 HFGB COc1cc(/C=N\NC(=O)c2ccc(F)cc2)cc(I)c1O 30822002 ZDIJATANPRODOS-LSCVHKIXSA-N 414.174 2.908 50 40 HFGB Cc1cccnc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C[C@H]2[C@@H](Br)[C@H]1Br 4892823 ZKYAEZPVIQTARD-CJXDBHJTSA-N 414.097 2.672 50 40 HFGB CCCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cccc(C)c1C 6647952 KJKDQNQFECSZBQ-AFUMVMLFSA-N 424.501 2.687 50 40 HFGB C/C(=N\NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)c1ccc(OC(F)F)cc1 9463855 BSUSHNFOOWDWPI-ZVBGSRNCSA-N 417.821 2.743 50 40 HFGB Cc1ccccc1C(=O)NNC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 52410850 AFZGASJEKVSESH-ZDUSSCGKSA-N 416.275 2.572 50 40 HFGB C/C(=N/NC(=O)CN1CCN(Cc2ccc(C)cc2)CC1)c1ccc([N+](=O)[O-])cc1 13552809 KSEMXOLYVXSGQD-NKFKGCMQSA-N 409.490 2.561 50 40 HFGB C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)NN=Cc4ccccc4O)c(=O)c23)C1 4367710 ZUQDELBMIPXOOG-STQMWFEESA-N 410.499 3.000 50 40 HFGB CC(C)c1ccc(N(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 408784732 SFSIHTQPQZECGC-UDWIEESQSA-N 418.475 2.635 50 40 HFGB COc1cc2c(cc1OC)[C@@H](C1C(=O)CC(C)(C)CC1=O)N(C(=O)CCl)CC2 4730491 SMSLURGVGRUXEA-FQEVSTJZSA-N 407.894 2.943 50 40 HFGB COc1cc(/C=N/NC(=O)Cc2nnc(N)s2)ccc1OCc1ccccc1F 6181598 DZZREJYDZOIZDS-LSHDLFTRSA-N 415.450 2.540 50 40 HFGB COc1c(O)cc([C@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)cc1[N+](=O)[O-] 8783204 TZESVTWNFDGIAW-HNNXBMFYSA-N 407.338 2.634 50 40 HFGB biogenic,in-vitro COCc1c(Br)c(C)nc(OCC(=O)N/N=C/c2cccs2)c1C#N 16249265 VOGDDTMZXYKLJV-FBCYGCLPSA-N 423.292 2.761 50 40 HFGB C[C@@H](Nc1nc2ccccc2s1)C(=O)NNC(=O)/C=C/c1ccccc1[N+](=O)[O-] 40049237 KSSHIGQENIRVLR-HCRIHEDKSA-N 411.443 2.866 50 40 HFGB O=C(NNC(=O)c1cccs1)c1cccc(CS(=O)(=O)c2ccccc2)c1 44282551 OVYQNVUKXLHAHD-UHFFFAOYSA-N 400.481 2.797 50 40 HFGB COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)c2ccccc2C3=O)c(OC)c1OC 101582679 UFYIJSAWZVWIMH-INIZCTEOSA-N 418.405 2.853 50 40 HFGB COCCCNC(=O)CSC1=C(C#N)[C@H](c2ccc(OC)c(Cl)c2)CC(=O)N1 409322351 JHOXDKGDCYIYJN-ZDUSSCGKSA-N 423.922 2.573 50 40 HFGB CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2cccs2)cc1 943305 GVWIYNDNTGGPRT-UHFFFAOYSA-N 409.533 2.634 50 40 HFGB COc1ccc(Cl)cc1C(=O)NNC(=O)COc1cccc2c1OC(C)(C)C2 2629112 IBMFOFWZXWEPBN-UHFFFAOYSA-N 404.850 2.902 50 40 HFGB CCCCOCCCNC(=O)CCC(=O)NNC(=O)c1ccc(-c2ccccc2)o1 6778513 RAGVOHJCNAVWEW-UHFFFAOYSA-N 415.490 2.811 50 40 HFGB C=CCOC(=O)C1=C(C)NC(SCC(N)=O)=C(C#N)[C@@H]1c1ccc(Cl)cc1 20083339 BBCHWQXTNVDKAA-KRWDZBQOSA-N 403.891 2.984 50 40 HFGB COc1cccc(-n2c(SCC(=O)/C(C#N)=C(/C)N)nc3ccccc3c2=O)c1 104677825 DIJHKMABSYLLMO-LGMDPLHJSA-N 406.467 2.812 50 40 HFGB CC(C)(OC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br)C(=O)c1ccccc1 408685082 ONRAGMRPHNTMRM-MBIARJLFSA-N 407.260 2.762 50 40 HFGB Cc1ccc(S(=O)(=O)NCc2ccc(/C=N/NC(=O)c3ccc(F)cc3)o2)cc1 408785725 YOVYBLNFYPXZOM-WSDLNYQXSA-N 415.446 2.970 50 40 HFGB O=C(CSc1nnc(Cc2ccccc2)o1)NNC(=O)c1ccc(Cl)cc1 6543956 FADDHETWDIBCLE-UHFFFAOYSA-N 402.863 2.867 50 40 HFGB CCOc1ccc2nc(NNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)sc2c1 9381821 NIWNZOHYARJGFD-UHFFFAOYSA-N 420.516 2.702 50 40 HFGB Cc1oc(-c2cccs2)nc1CC(=O)NNC(=O)CN1CCCc2ccccc21 12540179 GYLAYEHJLVMGOX-UHFFFAOYSA-N 410.499 2.854 50 40 HFGB O=C(NNC(=O)c1cc2cc(Br)ccc2[nH]1)c1ccc2c(c1)OCCO2 12985414 VPRULBFVYKWSAY-UHFFFAOYSA-N 416.231 2.776 50 40 HFGB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)N/N=C/c3ccccn3)cc2)cc1 13127887 WRZLANHQAMFOOY-BUVRLJJBSA-N 422.510 2.975 50 40 HFGB C/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C 25781896 ZZNWIEPURVZDIC-ODLFYWEKSA-N 409.362 2.546 50 40 HFGB O=C(NNC(=O)c1ccc(F)cc1Br)C1=NO[C@H](c2ccccc2)C1 55314598 UAZRBVNTQHDBAS-HNNXBMFYSA-N 406.211 2.867 50 40 HFGB CCOc1c(I)cc(/C=C(\C#N)C(=O)N(C)C)cc1OC 59333627 MEHXHNKLNJBRFJ-IZZDOVSWSA-N 400.216 2.694 50 40 HFGB NNC(=O)COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1Cl 408594445 RYVBBPJJZACOPF-UHFFFAOYSA-N 423.800 2.528 50 40 HFGB Cc1cccc(NC(=O)N/N=C\c2cn(CC(=O)N3CCOCC3)c3ccccc23)c1 408960123 CBFISLOBYIQIOB-OYKKKHCWSA-N 419.485 2.964 50 40 HFGB N#Cc1ccnc(Nc2nc([C@H]3CCCCN3Cc3ccc(B(O)O)cc3)cs2)c1 585294788 KFJCOGVZUWTZHT-LJQANCHMSA-N 419.319 2.560 50 40 HFGB Cc1cc(C)nc(NNC(=O)c2cc(S(=O)(=O)N3CCCC[C@@H]3C)ccc2C)n1 14511339 LDYLNRSGAXQGMY-INIZCTEOSA-N 417.535 2.722 50 40 HFGB CCN(CC)c1ccc(/C=N/NC(=O)CN2C[C@H](c3ccccc3)CC2=O)c(O)c1 59639306 KHPCMUVMRQUCFP-ANRKENSESA-N 408.502 2.705 50 40 HFGB Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)C(=O)NCc3ccccn3)c2C)c1 408964077 NDFLGEMGYMEJDG-LGJNPRDNSA-N 403.486 2.872 50 40 HFGB Cc1ccc(C(=O)NNC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1 7777033 QRGVALXLAKKRHI-UHFFFAOYSA-N 415.496 2.932 50 40 HFGB CCOc1ccc(C(=O)NNC(=O)[C@H](C)Nc2nc3ccccc3s2)cc1OC 10669344 KOCALQFPGNQKHP-LBPRGKRZSA-N 414.487 2.965 50 40 HFGB N#C/C(=C/c1ccc(S(=O)(=O)O)cc1S(=O)(=O)O)c1nc2ccccc2s1 16545366 SXCHDSJXFXEFMS-XFFZJAGNSA-N 422.465 2.854 50 40 HFGB Cc1[nH]c(N)nc(=O)c1CCCNc1ccc(/C=C\C2(CCl)OCCO2)cc1 31666771 SJDBIFTWNWYOIS-HJWRWDBZSA-N 404.898 2.700 50 40 HFGB COc1ccc(S(=O)(=O)NC(=O)NNc2ncc(C(F)(F)F)cc2Cl)cc1 1418770 NBOHLKJITXQJMQ-UHFFFAOYSA-N 424.788 2.777 50 40 HFGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(I)cc1 3094655 QKNAXGJQIHAVPQ-LICLKQGHSA-N 409.183 2.892 50 40 HFGB N#Cc1ccc(/C=N/NC(=O)CCCCC(=O)N/N=C/c2ccc(C#N)cc2)cc1 6287946 NISQWQKZBINPEF-RYQLWAFASA-N 400.442 2.591 50 40 HFGB CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\Nc1c(C)cc(Br)cc1[N+](=O)[O-] 6796623 WDKGXCATJWKCCP-GHXNOFRVSA-N 405.208 2.800 50 40 HFGB COCCNC(=O)/C(C#N)=C/c1ccc(OCc2ccc(C(=O)OC)cc2)c(OC)c1 3261595 CRDRBDIYYCNNGN-XDHOZWIPSA-N 424.453 2.730 50 40 HFGB O=C(CN1CCN(Cc2ccccc2)CC1)N/N=C\c1ccccc1Br 19826195 UNVUFZLIYQYQOT-HMAPJEAMSA-N 415.335 2.717 50 40 HFGB CCc1cc2c(=O)n(CC(=O)N/N=C\c3ccc(Br)cc3)cnc2s1 101088163 NHYIQLVQCRCUMU-ZBKNUEDVSA-N 419.304 2.933 50 40 HFGB Cc1cccc(N(CC(=O)N/N=C/c2cccnc2)S(=O)(=O)c2ccccc2)c1 408875394 IDUBXUAQXHWORD-HZHRSRAPSA-N 408.483 2.736 50 40 HFGB O=S1(=O)C[C@@H](Cl)[C@H](/N=C(/NCc2ccccc2)C(Cl)(Cl)Cl)C1 4280721 BZYTUPUKUQEHOS-GHMZBOCLSA-N 404.146 2.949 50 40 HFGB CCOc1ccc(/C=N/NC(=O)[C@H](NC(=O)c2ccc3c(c2)OCO3)C(C)C)cc1 4691334 VKXKVCFMSHCPFX-NVAXRVGSSA-N 411.458 2.719 50 40 HFGB O=C(CCOc1cccc(Br)c1)NNC(=O)COc1ccc(F)cc1 6510415 RZWBZOOVRBDLOZ-UHFFFAOYSA-N 411.227 2.584 50 40 HFGB CCCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cc(C)ccc1C 6647940 PNTVTGAAOHZKAC-AFUMVMLFSA-N 424.501 2.687 50 40 HFGB CCC(=O)c1ccc(OCC(=O)NNC(=O)c2ccc3c(c2)nc(C)n3CC)cc1 12546483 FBTWUUHTICYBKS-UHFFFAOYSA-N 408.458 2.797 50 40 HFGB CC(C)Oc1ccc(C(=O)NNC(=O)CCn2ncc3ccc([N+](=O)[O-])cc32)cc1 40115815 JWRFCXWLLBBHDS-UHFFFAOYSA-N 411.418 2.583 50 40 HFGB COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] 59459767 WMMQFQBQVSFMJU-ZVBGSRNCSA-N 410.308 2.711 50 40 HFGB O=C(N/N=C1\C(=O)N(CCOc2ccccc2)c2ccccc21)c1ccc(O)cc1 102433694 AKOSTBFIXPYARF-FLFQWRMESA-N 401.422 2.952 50 40 HFGB N#C/C(=C\c1c(N2CCCCCC2)nc2ccccn2c1=O)C(=O)NCc1ccco1 5562694 FHQPGCXCGOPMNI-SAPNQHFASA-N 417.469 2.891 50 40 HFGB CNC(=O)/C(C#N)=C1\S[C@@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccccc1 2373262 LKXLREJISFDLCV-IMGOXIFKSA-N 408.439 2.767 50 40 HFGB Cc1ccc(S(=O)(=O)N[C@@]2(C(Cl)Cl)N=C(c3ccccc3)NC2=N)cc1 6404590 HOSNTHZVMFQXHS-QGZVFWFLSA-N 411.314 2.801 50 40 HFGB COc1cccc(/C=N\NC(=O)c2nn(-c3ccc(Cl)cc3)c(=O)c(C#N)c2C)c1 409069293 MHDQINAIBCGOKN-MSXFZWOLSA-N 421.844 2.839 50 40 HFGB CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc1 409119372 PCMZJUDEZIQTQF-RCCKNPSSSA-N 402.520 2.693 50 40 HFGB CC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccccc3OC(F)F)[C@H]2C1 4631550 MRMBBJIXORLORB-FUHWJXTLSA-N 409.396 2.560 50 40 HFGB CCc1sc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C(C)C)c2)cc1C 15468192 UJQBMAHOYCFGLG-UHFFFAOYSA-N 423.560 2.723 50 40 HFGB CC1=CC(=O)[C@H](Br)[C@@H](Br)/C1=N/S(=O)(=O)c1ccccc1 101051775 HSRUWLRUPQEIPE-XUMKSBJFSA-N 421.110 2.872 50 40 HFGB O=C(CN1C[C@H](c2ccccc2)CC1=O)N/N=C/c1cc(Br)ccc1O 6241786 LSBJKQQJFCXWKZ-SBUZPKSBSA-N 416.275 2.621 50 40 HFGB O=C(COc1ccc(Br)cc1F)NNC(=O)Cc1c[nH]c2ccccc12 9507156 KVSHWTSPDQYIBU-UHFFFAOYSA-N 420.238 2.838 50 40 HFGB O=C(NNC(=O)c1ccc(F)cc1Br)C1=NO[C@@H](c2ccccc2)C1 55314600 UAZRBVNTQHDBAS-OAHLLOKOSA-N 406.211 2.867 50 40 HFGB O=C(/N=C/c1ccc([N+](=O)[O-])cc1)C1(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)CCC1 408718855 OQYTXDZRUPLFMA-ADYPVIEZSA-N 423.385 2.769 50 40 HFGB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H](C)S/C1=N\NC(=O)c1ccc(O)cc1 5027123 LQNZRNCZIGKNMF-VUPAOWBZSA-N 400.416 2.778 50 40 HFGB O=C(N/N=C/c1cccc(Cl)c1)C1CCN(S(=O)(=O)c2ccccc2)CC1 6890143 QZGOXIQYMYWNRM-KGENOOAVSA-N 405.907 2.891 50 40 HFGB Cc1ccc(-c2ccc(/C=N/NC(=O)CN3CCOCC3)o2)c(Br)c1 59246377 AVFMYAFZIGPXFD-RGVLZGJSSA-N 406.280 2.800 50 40 HFGB O=C(COc1ccc([N+](=O)[O-])cc1)NNC(=O)COc1cc(Cl)ccc1Cl 1808087 VWGRCRJJNQWYJF-UHFFFAOYSA-N 414.201 2.507 50 40 HFGB Cc1ccc(-c2c(C(=O)N/N=C/c3ccc(Cl)cc3)nnn2-c2nonc2N)cc1 2384876 NKBONSYBLMMVEU-LSHDLFTRSA-N 422.836 2.625 50 40 HFGB O=C(O)COc1ccc(/C=N/NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1Cl 2726790 FJIRQMQZVSXXMD-UFWORHAWSA-N 423.834 2.954 50 40 HFGB O=C(NN/C=C1/C(=O)N(c2cccc(Cl)c2)C(=S)N=C1O)c1ccccc1 4811710 ZQTYOSIMWNCJHU-GXDHUFHOSA-N 400.847 2.747 50 40 HFGB O=C(CNS(=O)(=O)c1ccccc1)N/N=C/c1cccc(Oc2ccccc2)c1 5774684 XHSSSOJPCTVYSU-PXLXIMEGSA-N 409.467 2.908 50 40 HFGB CC/C(=N/NC(=O)Cc1cccs1)c1ccc(OCCN2CCOCC2)cc1 19841420 BMHDIDKVUFHWCS-XDOYNYLZSA-N 401.532 2.932 50 40 HFGB N#C/C(=C\c1cc(Br)ccc1OCC(N)=O)C(=O)Nc1ccc(O)cc1 409226855 WAJYHJMWQPHQBT-KPKJPENVSA-N 416.231 2.564 50 40 HFGB COc1ccc(/C=N/NC(=O)CNc2ccc(Br)cc2)cc1[N+](=O)[O-] 409366412 RFFDSXXUOXVYKM-DJKKODMXSA-N 407.224 2.928 50 40 HFGB COc1ccc([C@H]2[C@@H]3CN(C(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC 5789775 VKNLPMQDTJAVEP-NQIIRXRSSA-N 403.486 2.838 50 40 HFGB CCOc1cc(Br)cc(/C=N\NC(=O)[C@@H]2COc3ccccc3O2)c1O 9138080 YZYFSXGRURRFAS-DMOKECBHSA-N 421.247 2.844 50 40 HFGB O=C(CCCN1C(=O)c2ccccc2C1=O)NNc1cc(C(=O)O)ccc1Cl 9751414 ILWZBJDTORTEPS-UHFFFAOYSA-N 401.806 2.558 50 40 HFGB CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)NNC(=O)c1cc(C)oc1C 14237125 RBJFPCOHYUMICO-INIZCTEOSA-N 423.922 2.863 50 40 HFGB CCOC(=O)c1c(C)[nH]c(C(=O)NN[C@@H](SCC(=O)O)c2ccccc2)c1C 16758489 XWSMQMRFYQCCST-SFHVURJKSA-N 405.476 2.559 50 40 HFGB CCCCCCC(=O)NN/C(CC)=C1\C(=O)N=C(O)N(Cc2ccccc2)C1=O 16975138 LCRFUINTLQNJRW-FBMGVBCBSA-N 400.479 2.725 50 40 HFGB COC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N(CCCO)C(=O)C(C#N)=C3C)o2)cc1 101114604 ZZHAJMDSPBZDJH-LDADJPATSA-N 420.421 2.708 50 40 HFGB CC[C@H](OC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32)C(=O)c1ccccc1 408681206 HJADJFQXCZEBFG-JWQGWVRCSA-N 407.260 2.762 50 40 HFGB COc1ccc(/C=N\NC(=O)c2nn(-c3ccc(Cl)cc3)c(=O)c(C#N)c2C)cc1 409062724 ZTAMZPRRXKWNBF-MSXFZWOLSA-N 421.844 2.839 50 40 HFGB Cn1cc(C(=O)NNC(=O)c2cnn3c(-c4ccccc4)ccnc23)c2ccccc21 40144777 ICLXCUPFFHPYGM-UHFFFAOYSA-N 410.437 2.963 50 40 HFGB CC(C)NC(=O)/C(C#N)=C\c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1 408826629 ICRHMGYMYLSLFP-LCYFTJDESA-N 407.879 2.843 50 40 HFGB COc1ccc(-n2c(C)cc(/C=N\NC(=O)Cn3c([N+](=O)[O-])cnc3C)c2C)cc1 409217848 XMJNCPSAKBIBJC-YVNNLAQVSA-N 410.434 2.666 50 40 HFGB O=C(CCN1CCN(c2ccccc2)CC1)N/N=C/c1ccccc1OC(F)F 5163897 VWGZOWRGLFRLIU-LFVJCYFKSA-N 402.445 2.950 50 40 HFGB COc1ccc(/C(C)=N\NC(=O)COc2ccc(C)cc2[N+](=O)[O-])cc1[N+](=O)[O-] 9355327 FAOGYTVHWJGFMQ-UNOMPAQXSA-N 402.363 2.739 50 40 HFGB O=C(N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O)c1ccccc1[N+](=O)[O-] 408598904 KUTUEZWLODQVST-FRKPEAEDSA-N 409.152 2.735 50 40 HFGB Cc1ccc(-c2c(C(=O)N/N=C/c3ccccc3Cl)nnn2-c2nonc2N)cc1 2393670 FNYPNUYGDGRJFL-LSHDLFTRSA-N 422.836 2.625 50 40 HFGB CCc1n[nH]c2c1[C@@]1(C(=O)N(CCc3ccccc3)c3ccccc31)C(C#N)=C(N)O2 5218883 CPTPRWNAZNZUIB-DEOSSOPVSA-N 411.465 2.934 50 40 HFGB COc1ccc([C@@H]2[C@@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1Br 16034946 OMZKHWQYIBHPEK-CRAIPNDOSA-N 424.302 2.813 50 40 HFGB COc1ccccc1/C=C\C=N\NC(=O)CN1CCN(Cc2ccc(C)cc2)CC1 19366118 WWLSJMDMWPDURW-ORVKTBHSSA-N 406.530 2.937 50 40 HFGB NC(=O)Cn1cc(/C=N\NC(=O)COc2ccc(Cl)cc2Cl)c2ccccc21 107729263 NDMIEYQLRQFZJZ-NYAPKIOYSA-N 419.268 2.963 50 40 HFGB COc1cc(/C=N/NC(=O)C(=O)NC2CC2)ccc1OCc1ccc(Cl)cc1 8219103 YADRKTYTFDTHMB-SSDVNMTOSA-N 401.850 2.656 50 40 HFGB COc1ccccc1/C=N/NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 408855412 DCWLBBFKKOLDGD-VYVDHXHBSA-N 421.906 2.652 50 40 HFGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])ccc1OCC(=O)O 408921386 ARKGJPIKQQPILA-RIYZIHGNSA-N 411.370 2.921 50 40 HFGB Cc1cc(/C=N\NC(=O)Nc2ccccc2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 408968098 WKBGAMIXLBWLRN-XKZIYDEJSA-N 411.487 2.897 50 40 HFGB COc1cc(/C=N/NC(=O)c2cc(C3CC3)nc3ccccc23)ccc1OCC(N)=O 1248556 KWAMXOJVIOGZAI-BRJLIKDPSA-N 418.453 2.749 50 40 HFGB N#CC(C(=O)COC(=O)C[C@@H]1Sc2ccccc2NC1=O)=C1Nc2ccccc2N1 3341257 NSDQPWZYXBFHKQ-SFHVURJKSA-N 420.450 2.875 50 40 HFGB COCCNC(=O)/C(C#N)=C/c1c(Oc2ccc(C)cc2)nc2c(C)cccn2c1=O 4205592 ATHLTKOQZJURNL-GHRIWEEISA-N 418.453 2.773 50 40 HFGB N#CC1=C(N)N2CCc3cc4c(cc3C2=C[C@]12C(=O)Nc1ccccc12)OCCCO4 5422288 FKBIXBWDASLRFS-XMMPIXPASA-N 412.449 2.644 50 40 HFGB Cc1ccc(N2C[C@H](C(=O)NNC(=O)c3ccc(Br)s3)CC2=O)cc1 27319439 FZCKYIWXOFRFQB-LLVKDONJSA-N 422.304 2.633 50 40 HFGB O=C(CC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1)NCc1cccnc1 59461581 OKAYVIYIMAEBJD-WGOQTCKBSA-N 402.454 2.817 50 40 HFGB NNC(=O)c1cn(C(=O)c2ccc(Br)c([N+](=O)[O-])c2)c2ccccc12 226368097 CMYJMVWAPZJUCN-UHFFFAOYSA-N 403.192 2.604 50 40 HFGB CC(C)[C@H](Br)C(=O)Nc1cc2c(cc1Br)n(C)c(=O)n2C 408536793 YCAKHPUURYUIBO-LBPRGKRZSA-N 419.117 2.998 50 40 HFGB COc1cc(/C=N/NC(=O)Cn2cnc3ccccc32)cc(Br)c1O 1214383 WUNVKSSIIYHIAI-DNTJNYDQSA-N 403.236 2.663 50 40 HFGB O=C(NN[C@@H]1CC(=O)N(CCc2ccccc2)C1=O)c1ccc(Cl)cc1Cl 3375121 HJRUMPFMNHBPEL-MRXNPFEDSA-N 406.269 2.598 50 40 HFGB CC(C)n1cc(/C=N/NC(=O)CNC(=O)c2ccc3c(c2)OCO3)c2ccccc21 9886227 YGGXSXUNFPNIHG-YSURURNPSA-N 406.442 2.831 50 40 HFGB COc1cc(/C=N/NC(=O)CN2C(=O)c3cccc4cccc2c34)cc(OC)c1OC 105793417 LQHGSECSMAXCMB-WYMPLXKRSA-N 419.437 2.976 50 40 HFGB C/C(=N\NC(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 408780270 WPKIEWMBAIFHJG-HMMYKYKNSA-N 418.475 2.518 50 40 HFGB COc1ccc(C(=O)Oc2c(Br)cc(/C=N/NC(N)=O)cc2OC)cc1 657767 JLTSYMDWGWESML-AWQFTUOYSA-N 422.235 2.688 50 40 HFGB COc1ccccc1Cn1c(C)cc2c(c1=O)[C@@H](c1ccncc1)C(C#N)=C(N)O2 8625675 ABDRINVNJVDDJR-FQEVSTJZSA-N 400.438 2.827 50 40 HFGB C#CCOc1ccc(Br)cc1/C=N/NC(=O)Cc1ccc2c(c1)OCO2 14134528 HJHSZGNYNRDTMK-SRZZPIQSSA-N 415.243 2.883 50 40 HFGB CCN1C(=O)/C(=N/NC(=O)c2cccc([N+](=O)[O-])c2)c2cc(Br)ccc21 58900473 OZJHCBGGXRARHE-XDJHFCHBSA-N 417.219 2.858 50 40 HFGB O=C(NCc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1ccccc1 408872274 CHQPTOKEGBCRBM-ZMOGYAJESA-N 424.844 2.952 50 40 HFGB COCCN1C(N)=C(C#N)[C@@H](c2ccc(C(=O)OC)cc2)C2=C1CC(C)(C)CC2=O 409141601 JEKKZXJGLHSDDP-LJQANCHMSA-N 409.486 2.856 50 40 HFGB Cn1ncc(Cl)c1C(=O)N/N=C/c1ccccc1OS(=O)(=O)c1ccccc1 2750582 MPFJZXRREBCBOX-RGVLZGJSSA-N 418.862 2.605 50 40 HFGB O=C(COC(=O)C(c1ccccc1)c1ccccc1)NNC(=O)c1ccccc1F 7007637 CKCPZFPHGWIGJK-UHFFFAOYSA-N 406.413 2.962 50 40 HFGB O=C(N/N=C/c1ccc(O)c([N+](=O)[O-])c1)c1cccc(I)c1 408904964 REIIIAIDUQOONT-LZYBPNLTSA-N 411.155 2.669 50 40 HFGB CCOc1ccccc1/C=N\NC(=O)c1nn(-c2cccc(C)c2)c(=O)c(C#N)c1C 409057623 HPXRHRCDIBUZEV-QFEZKATASA-N 415.453 2.884 50 40 HFGB O=C(COc1ccccc1[N+](=O)[O-])N/N=C\c1cccn1-c1ccc(C(=O)O)cc1 409235058 ACWVMAVFZATDAR-MTJSOVHGSA-N 408.370 2.613 50 40 HFGB CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccco2)C(C#N)=C(SCC(N)=O)N1 729013 SXJLKOUNVUJUAB-SFHVURJKSA-N 412.446 2.972 50 40 HFGB Cc1cc2c(c(=O)n1CCCn1ccnc1)[C@@H](c1ccccc1F)C(C#N)=C(N)O2 2350648 XCYIFYBXIJXNOE-IBGZPJMESA-N 405.433 2.801 50 40 HFGB C/C(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)=N\NC(=O)C(=O)Nc1ccccc1C 4677026 SDVXAMJRNCXELR-OEAKJJBVSA-N 411.418 2.671 50 40 HFGB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)OCC(=O)NNC(=O)c1ccccc1 6056336 RKTAQUMTACSVGO-NSHDSACASA-N 411.241 2.765 50 40 HFGB COCCCN1C(=O)C(C#N)=C(C)/C(=C/Nc2cc(Cl)ccc2C(=O)OC)C1=O 9304937 JYLZTEDSEXCXBG-WJDWOHSUSA-N 417.849 2.668 50 40 HFGB Cc1ccc(N(CC(=O)N/N=C/c2c(O)ccc3ccccc23)S(C)(=O)=O)cc1 19954614 WCPPYLPZBCXKTE-LPYMAVHISA-N 411.483 2.770 50 40 HFGB O=C(NNC(=O)c1cn(-c2ccccc2Br)nn1)c1ccc(Cl)cc1 40073406 DECFVCICZGGGRA-UHFFFAOYSA-N 420.654 2.758 50 40 HFGB COc1ccc(/C=N\NC(=O)CNc2ccc3c(c2)OCO3)cc1Br 83318028 GYNSTMGILDFTLP-ZBKNUEDVSA-N 406.236 2.749 50 40 HFGB O=C(Cc1ccc(Cl)cc1)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1 408590618 PYUJICPGFUNEKP-FYJGNVAPSA-N 402.838 2.778 50 40 HFGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)N3CCOCC3)cc2)cc1 408761248 CUTRKCKYCUKIKY-NBVRZTHBSA-N 412.467 2.529 50 40 HFGB Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N/N=C/c2ccc(O)cc2)cc1 408767070 VKSGNGLALRNAIS-DBRLUCFCSA-N 403.504 2.544 50 40 HFGB COCc1cc(C)n(CC(=O)N/N=C\c2ccc(-c3ccccc3)o2)c(=O)c1C#N 8782805 GJJJEYLEPACVMK-MSXFZWOLSA-N 404.426 2.585 50 40 HFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1F)c1cccc(C(F)(F)F)c1 408784506 UDDGLGLGADFNET-LSHDLFTRSA-N 417.384 2.761 50 40 HFGB O=C(N/N=C/c1ccc2c(c1)OCCOCCOCCO2)c1cccc2cc[nH]c12 1267657 AYMIYVQTRLPZOE-BUVRLJJBSA-N 409.442 2.736 50 40 HFGB Cc1ccc(/C=N/NC(=O)CN(c2ccccn2)S(=O)(=O)c2ccccc2)cc1 19951157 GOBWPONZLOKACX-HZHRSRAPSA-N 408.483 2.736 50 40 HFGB CCn1nc(C(=O)NNC(=O)c2cc3c(C)cc(C)c(C)c3[nH]2)c2ccccc2c1=O 24257523 AWZMTXHHCGWTBD-UHFFFAOYSA-N 417.469 2.898 50 40 HFGB Cc1ccc(C)c(-n2c(C)cc(/C=N/NC(=O)C(=O)NCc3ccccn3)c2C)c1 58912302 WZTLPTMHGKNMDO-LGJNPRDNSA-N 403.486 2.872 50 40 HFGB COc1ccc(-n2c(C)cc(/C=N\NC(=O)C(=O)NCCc3ccccc3)c2C)cc1 223163921 RYOQNCCOKHSYDC-QQXSKIMKSA-N 418.497 2.912 50 40 HFGB Cc1cccc(N2C(=O)NC(=O)[C@@H](/C=N/NC(=O)c3cccc4ccccc34)C2=O)c1 408530418 FHRZKAALXSWPEQ-NZYROCMPSA-N 414.421 2.763 50 40 HFGB CC(C)OCCCNC(=O)C(=O)N/N=C/c1cccc(OCc2ccc(F)cc2)c1 408615368 PNCSTECMZYASEV-AFUMVMLFSA-N 415.465 2.786 50 40 HFGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)OC)cc2)cc1 408789830 RWJNUVXRKMEZOY-SFQUDFHCSA-N 408.410 2.961 50 40 HFGB Cc1ccc(C(=O)Nc2nnc(CC(=O)N/N=C/c3ccc4c(c3)OCO4)s2)cc1 825496 UFVQXUTYFUADDB-UFFVCSGVSA-N 423.454 2.520 50 40 HFGB C=CCOC(=O)C1=C(C)NC(SCC(N)=O)=C(C#N)[C@H]1c1ccccc1Cl 20029541 GRLGUCZYCGFLCI-QGZVFWFLSA-N 403.891 2.984 50 40 HFGB COC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1OC 408795228 UUNASPGMXUFKRO-MHWRWJLKSA-N 424.409 2.579 50 40 HFGB CC(C)c1c(C(=O)N/N=C/c2ccc(-c3ccccc3)cc2)nnn1-c1nonc1N 2386964 GBSAZPLWPCLWIK-FSJBWODESA-N 416.445 2.787 50 40 HFGB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(N(CCCl)CCCl)c(OC)c1 5010680 GNSMYPMRUSZDLC-MRXNPFEDSA-N 416.305 2.780 50 40 HFGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)cc(Br)c1O 13922546 RQCFIAGEAMULBQ-KEBDBYFISA-N 420.263 2.951 50 40 HFGB C=CCOc1ccc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)cc1 20208290 STMPTDOFWCILFJ-HYARGMPZSA-N 415.515 2.785 50 40 HFGB Cc1cc(C)nc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(Br)c(C)c3)C2)n1 32795909 MFODCEIHGZVGDF-CYBMUJFWSA-N 418.295 2.661 50 40 HFGB Cc1cc(C)nc(NNC(=O)c2cccc(NS(=O)(=O)c3cccs3)c2)n1 40145240 LZIWHQPIOQTAQR-UHFFFAOYSA-N 403.489 2.713 50 40 HFGB O=C(CCc1nncn1-c1ccccc1)NNC(=O)CSc1ccc(Cl)cc1 72302667 DYFYINYJJLFNBO-UHFFFAOYSA-N 415.906 2.793 50 40 HFGB CS(=O)(=O)N(Cc1ccc(C(=O)N/N=C/c2ccncc2)cc1)c1ccccc1 839649 BBUKAHMQFQCQBD-HZHRSRAPSA-N 408.483 2.812 50 40 HFGB Cc1cccc(C(=O)NNC(=O)COc2ccc(Cl)cc2Br)c1O 5748182 DJQXUAQCECBDKC-UHFFFAOYSA-N 413.655 2.957 50 40 HFGB C=CCOc1cccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)c1 20209485 SSGOTTJIHLNXCB-FYJGNVAPSA-N 421.906 2.821 50 40 HFGB CCNC(=O)COc1ccc(/C=C(\C#N)C(=O)c2ccc3c(c2)OCO3)cc1OC 44028705 HRRLWVPQNWJOFH-LZYBPNLTSA-N 408.410 2.729 50 40 HFGB CN(c1ccc(C(=O)N/N=C/c2ccc(Br)cc2)cc1)S(C)(=O)=O 409140225 GPKYMLZGVCYJKQ-WOJGMQOQSA-N 410.293 2.609 50 40 HFGB N#CC1=C(SCC(=O)NC[C@@H]2CCCO2)NC(=O)C[C@H]1c1ccc(Cl)cc1 6495409 QWNIZNMAIHYKPL-GJZGRUSLSA-N 405.907 2.707 50 40 HFGB O=C(CSc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(N2CCOCC2)c(F)c1 409129898 HOVUGCRJEANUAB-CIAFOILYSA-N 418.450 2.813 50 40 HFGB N#C/C(=C\c1cc(Cl)ccc1OCC(N)=O)C(=O)Nc1cccc([N+](=O)[O-])c1 409222556 DYGGNJFTSSQQFZ-WUXMJOGZSA-N 400.778 2.658 50 40 HFGB Cc1ccc2occ(/C=N/NC(=O)CCC(=O)Nc3cccc(C(=O)O)c3)c(=O)c2c1 1881793 ZVMUWXVICGYJQR-FOKLQQMPSA-N 421.409 2.669 50 40 HFGB Cc1ccccc1/C=N/NC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1C 5070776 JWDBZSYADCGCOW-RGVLZGJSSA-N 410.459 2.941 50 40 HFGB CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)NNC(=O)CSc1ccccc1F 14245730 BQOQPMGCOBMKSF-SFHVURJKSA-N 421.469 2.659 50 40 HFGB CCCOc1ccc(C(=O)NNC(=O)c2cccc(C3OCCO3)c2)cc1OC 89960325 RYMFKAIUQXKXOB-UHFFFAOYSA-N 400.431 2.604 50 40 HFGB CCCCCCCCCCOC(=O)C[C@H]1C(=O)NCCN1C(=O)CBr 100119415 CGWIMINMWGKQQT-HNNXBMFYSA-N 419.360 2.782 50 40 HFGB CCOc1ccc(-n2nc(C(=O)N/N=C\c3ccc(C)cc3)c(C)c(C#N)c2=O)cc1 409069185 LVRPDCMFUMOIRJ-QFEZKATASA-N 415.453 2.884 50 40 HFGB COCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)N2CCc3ccccc32)c1C 3450799 VQMRLTCULNOMFW-DEDYPNTBSA-N 407.470 2.791 50 40 HFGB Cc1ccc(C)c(NC(=O)CCC(=O)NNS(=O)(=O)c2ccc(Cl)cc2)c1 4524007 LSPRVIBIGWEJBA-UHFFFAOYSA-N 409.895 2.685 50 40 HFGB COc1ccc2nc(Cl)c(/C=N/NC(=O)c3nc4ccccc4c(=O)[nH]3)cc2c1 9452598 QYEUEASIPVUGDA-LSHDLFTRSA-N 407.817 2.897 50 40 HFGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc2c(cc1Br)OCO2 873832 LEJJLXGECDEQCR-OAHLLOKOSA-N 407.220 2.823 50 40 HFGB COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CNC(=O)c3ccc(C)cc3)o2)cc1 2177544 BLKVKAXPZYWZNJ-DHRITJCHSA-N 419.437 2.922 50 40 HFGB COc1ccc(/C=N/NC(=O)COc2ccc(I)cc2)cc1 4705097 ASZYCAQNHWEABW-VCHYOVAHSA-N 410.211 2.829 50 40 HFGB O=C(O)COc1ccccc1/C=N/NC(=O)C(O)(c1ccccc1)c1ccccc1 5871680 RDYPWHLGJMKSHR-BUVRLJJBSA-N 404.422 2.536 50 40 HFGB CCOC(=O)c1ccccc1N/C=C1\C(=O)N(C[C@H]2CCCO2)C(=O)C(C#N)=C1C 9060813 URSHTHXYBGXHRW-PWDRBQJJSA-N 409.442 2.547 50 40 HFGB CCOC(=O)N/N=C\c1cc(Br)cc(I)c1O 71335853 GEIZQIRPLLKWKT-ACAGNQJTSA-N 413.009 2.839 50 40 HFGB O=C(COCC(=O)Nc1cccc(Cl)c1Cl)NNC(=O)c1ccc(F)cc1 199419839 JDMFASPHYLTNHR-UHFFFAOYSA-N 414.220 2.549 50 40 HFGB Nc1ccccc1N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O 254623952 MBKHUNRVMPCQNA-KYXWUPHJSA-N 402.086 2.695 50 40 HFGB COCCNC(=O)/C(C#N)=C/c1cc(Br)c(OC)c(Br)c1 408813692 NUPWNHXLEJIVEI-BJMVGYQFSA-N 418.085 2.890 50 40 HFGB O=C(CN1CCN(Cc2ccccc2Cl)CC1)N/N=C\c1ccccc1[N+](=O)[O-] 5204981 WOQPCMGDLRIBHW-XKZIYDEJSA-N 415.881 2.516 50 40 HFGB Cc1ccc(N2C[C@H](C(=O)NNC(=O)c3ccccc3Br)CC2=O)cc1 8204411 HOVBCOPGFDXELQ-CYBMUJFWSA-N 416.275 2.572 50 40 HFGB CCOc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)OC(COC)=C1C(=O)OC 13739072 JHKHOBPPNWVXSV-OAHLLOKOSA-N 423.263 2.729 50 40 HFGB COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(=O)[nH]c2ccccc32)cc1OC 17083144 JZEUADJJCIBRJX-SFHVURJKSA-N 405.410 2.772 50 40 HFGB O=C(NNC(=O)[C@H]1CCCN(c2nc3ccccc3s2)C1)c1ccc2c(c1)OCO2 40115854 DMPLPEGKDODCSY-AWEZNQCLSA-N 424.482 2.703 50 40 HFGB O=C(CN1C(=O)/C(=N/NC(=O)c2ccccc2O)c2ccccc21)Nc1ccccc1 100488475 JJQQBBPIFVQYRZ-NJNXFGOHSA-N 414.421 2.512 50 40 HFGB CC(=O)NNC(=O)c1csc(-n2nc(-c3ccc(F)cc3)cc2C(F)(F)F)n1 1415710 KECVQNBTBXILIO-UHFFFAOYSA-N 413.356 2.935 50 40 HFGB CCOc1ccc(/C=N/NC(=O)Cn2cnc3sc(CC)cc3c2=O)cc1OC 1784402 UOZBZXINISZOII-LSHDLFTRSA-N 414.487 2.578 50 40 HFGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccccc1I 5771309 BDNFULOJGJWZJG-LICLKQGHSA-N 409.183 2.892 50 40 HFGB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=N/NC(=O)c1cncc(Br)c1 6050523 TVRIKOAOFSZRCV-VYXQJKENSA-N 400.236 2.599 50 40 HFGB CC(C)c1ccc(N2C(=O)/C(=C/NNC(=O)c3ccncc3)C(O)=NC2=S)cc1 6782266 KPWOUBXGAOEAPK-LFIBNONCSA-N 409.471 2.612 50 40 HFGB COc1cc(C(=O)NNC(=O)N(C)Cc2ccc(SC)cc2)cc(OC)c1OC 9585808 PBSCQJGQNJRUBJ-UHFFFAOYSA-N 419.503 2.921 50 40 HFGB O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NCCSSc1ccccn1 16123470 MAJOROISBURONW-XEZPLFJOSA-N 412.606 2.664 50 40 HFGB in-vitro CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)c(OC)c1 408610193 MQMUQGJUOIVUQD-XMTZNVEYSA-N 401.438 2.778 50 40 HFGB COc1ccc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)cc1 408777572 CIIPJMYMEITLGH-FYJGNVAPSA-N 403.504 2.735 50 40 HFGB Cc1ccccc1C(=O)NCC(=O)N/N=C\c1ccc(-c2ccccc2C(=O)O)o1 409165213 UVTRJONZJJCFPA-MSXFZWOLSA-N 405.410 2.833 50 40 HFGB CC1(C)Cc2ccccc2-c2nnc(SCC(=O)NNC(=O)c3ccccc3)n21 882949 IZLCFCQTVGRAMR-UHFFFAOYSA-N 407.499 2.790 50 40 HFGB CC/C(=N\NC(=O)c1nnn(-c2nonc2N)c1-c1cccs1)c1ccccc1 9307366 WDOGHFUPRYHMTR-UDWIEESQSA-N 408.447 2.505 50 40 HFGB COc1cc(C(=O)NNC(=O)CC(C)C)ccc1OCC(=O)Nc1ccc(F)cc1 10160562 VBAJSCTWLYTYPQ-UHFFFAOYSA-N 417.437 2.659 50 40 HFGB CCc1ccccc1-n1c(SCC(=O)NNC(=O)C(C)C)nnc1-c1cccnc1 13513258 AFKKGYIAPNITSD-UHFFFAOYSA-N 424.530 2.787 50 40 HFGB O=C(CNc1ccc(I)cc1)N/N=C/c1ccccc1[N+](=O)[O-] 59884550 SPTJRNKXZAOZNP-GIJQJNRQSA-N 424.198 2.762 50 40 HFGB CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N/N=C/c1cccc(O)c1 107947700 HULKUFYJEBLAQN-QMFLXTPQSA-N 413.474 2.952 50 40 HFGB COc1ccc(N(CC(=O)NN=C(C)C)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 408772689 HBHMYXHWDFUGRD-UHFFFAOYSA-N 419.503 2.720 50 40 HFGB Cc1ccsc1/C=N/NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 408973329 YJSDTZSSUCMERO-UDWIEESQSA-N 409.508 2.747 50 40 HFGB CN(C)S(=O)(=O)c1ccc(C(=O)NNc2nc3ccc(Cl)cc3s2)cc1 4121417 HLRFUYMZOIMVFL-UHFFFAOYSA-N 410.908 2.957 50 40 HFGB O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(=S)NNC(=O)c1ccc(Cl)cc1 6505849 LBIWCNIFSCTSSX-RUDMXATFSA-N 404.835 2.597 50 40 HFGB COc1ccc(/C=N/NC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1 19682706 HPYIFXKPDXSKJN-OEAKJJBVSA-N 400.910 2.617 50 40 HFGB Cc1cc2c(c(=O)n1Cc1ccco1)[C@@H](c1ccc3c(c1)OCO3)C(C#N)=C(N)O2 1263274 WTVXWNRAUKVURD-IBGZPJMESA-N 403.394 2.745 50 40 HFGB O=C(NNS(=O)(=O)c1ccc(Br)c2ccccc12)c1cccnc1 12290807 YCXNTOIKEAXPSY-UHFFFAOYSA-N 406.261 2.621 50 40 HFGB COC(=O)c1c(NC(=O)C(=O)N/N=C(\C)c2ccccc2O)sc2c1CCCC2 6021359 XIOKHKYAWPZRHK-SSDVNMTOSA-N 415.471 2.598 50 40 HFGB CCCCCn1nc(C(=O)NNC(=O)c2cc(F)cc(F)c2)c2ccccc2c1=O 6982115 QRVAWJHFUVNZEM-UHFFFAOYSA-N 414.412 2.940 50 40 HFGB CCOc1ccc(C(=O)NNC(=O)CCNC(=O)c2ccc(C(C)(C)C)cc2)cc1 6560342 SMCMOWQSOHJCSK-UHFFFAOYSA-N 411.502 2.964 50 40 HFGB CCCc1c(C(=O)N/N=C(\C)c2ccc(Cl)cc2Cl)nnn1-c1nonc1N 9233648 HPOZISQYQIVYHL-DNTJNYDQSA-N 423.264 2.646 50 40 HFGB CCCOc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)cc1 20211868 LLZHQZMCWYJNCX-FYJGNVAPSA-N 407.467 2.531 50 40 HFGB O=C1N=C([n+]2ccc(Cc3ccccc3)cc2)/C(=C\NNC(=O)c2ccncc2)S1 38191527 VOALKUMFBLAWCL-UHFFFAOYSA-O 416.486 2.849 50 40 HFGB COc1ccc(/C=N/NC(=O)CN2C(=O)c3cccc4cccc2c34)c(OC)c1OC 105992706 UUBMAEHYOFGYEB-WYMPLXKRSA-N 419.437 2.976 50 40 HFGB O=C(NNC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)c1ccc(Cl)c(Cl)c1 408615206 NIPIZNZJMRTKST-NSHDSACASA-N 410.232 2.947 50 40 HFGB CCOC(=O)COc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(C(=O)OC)cc1 408795364 VEJSCTHQUZXWFF-SFQUDFHCSA-N 408.410 2.961 50 40 HFGB CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)c(O)c(OC)c2)cc1 409260444 QIXOKBPBKYOPEG-SRZZPIQSSA-N 405.838 2.932 50 40 HFGB Cc1ccc(C(=O)NNC(=O)CSc2ncnc3c2cnn3-c2ccccc2)cc1 1221544 PZPIWXNRVUFQIR-UHFFFAOYSA-N 418.482 2.677 50 40 HFGB COc1cc(OC)c(OC)cc1/C=N/NC(=O)c1cc(OC)c(OC)c(OC)c1 3239131 BJEMMZQDCYZUSL-SRZZPIQSSA-N 404.419 2.502 50 40 HFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccncc1)c1ccc(Oc2ccccc2)cc1 20214001 OKSFGCNFGQNRDP-HZHRSRAPSA-N 424.482 2.790 50 40 HFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1C(F)(F)F)c1ccccc1F 20211601 YTSGETFLLLXSKK-LSHDLFTRSA-N 417.384 2.761 50 40 HFGB COCCCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1Nc1ccc(C)cc1 408707360 JJBRIUCBUSDOHR-YDZHTSKRSA-N 402.882 2.995 50 40 HFGB N#C/C(=C/c1cc(I)c(O)cc1O)C(=O)NCc1ccccc1 408747789 SYJMFXOZIPIFDO-MLPAPPSSSA-N 420.206 2.926 50 40 HFGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccs1)c1cc(Cl)ccc1Cl 409029025 XKETWSGSHICNLT-CAOOACKPSA-N 406.316 2.971 50 40 HFGB CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cc(OC)cc(OC)c3)[C@@H]2C1 4452908 LWFAHMGEWUDBPH-RTWAWAEBSA-N 403.486 2.839 50 40 HFGB Cc1n[nH]c2c1[C@H](c1cn(CC(=O)N3CCCC3)c3ccccc13)C(C#N)=C(N)O2 9296405 YLYHFQAGUIUBJG-FQEVSTJZSA-N 402.458 2.513 50 40 HFGB NNC(=O)COc1ccc(-c2n[nH]cc2Oc2ccccc2Br)c(O)c1 9409605 KXLRYDKRHAUVLV-UHFFFAOYSA-N 419.235 2.706 50 40 HFGB C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)c1cn(Cc2ccccc2)nn1 13006998 WBBJYZNHNXJRGI-MRXNPFEDSA-N 415.453 2.708 50 40 HFGB CCn1c(NNC(=O)c2cccnc2OCC(F)(F)F)nc2ccccc2c1=O 24907400 AZAYRTIZYQJISN-UHFFFAOYSA-N 407.352 2.509 50 40 HFGB CCc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)N[C@H](C)CC)cc2)cc1 409261787 BGWLRORQCHUGAL-HUSFYUSLSA-N 424.501 2.631 50 40 HFGB Cc1cc2c(c(=O)n1Cc1ccccn1)[C@@H](c1ccc3c(c1)OCO3)C(C#N)=C(N)O2 1471751 JXQKAIXZGNUFJJ-FQEVSTJZSA-N 414.421 2.547 50 40 HFGB N#C/C(C(N)=O)=C1/S[C@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(F)cc1 1888550 SVASKOQYQRRJLT-URTGMZOISA-N 412.402 2.645 50 40 HFGB COc1cc(/C=N/NC(=O)c2cccs2)cc(Br)c1OCC(=O)O 2298216 WLYVKVRTIQVUNX-REZTVBANSA-N 413.249 2.747 50 40 HFGB O=C(N/N=C/C(Cl)=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(C(=O)O)c1 2333693 HNDQQBITMJFFPU-UEKDOHQUSA-N 416.777 2.613 50 40 HFGB O=C(CSc1nnc(NCc2ccccc2)s1)NNC(=O)c1ccc(F)cc1 2661251 AYDFWSNFWHMGLN-UHFFFAOYSA-N 417.491 2.843 50 40 HFGB C[C@H](Oc1ccccc1F)C(=O)NNC(=O)CCCNC(=O)c1ccc(Cl)cc1 18054600 WGPFMPSFSVANBZ-ZDUSSCGKSA-N 421.856 2.604 50 40 HFGB COC(=O)COc1ccc(Br)cc1/C=N\NC(=O)Cc1ccc(F)cc1 409232706 BKSWSROFNYHJSL-FBHDLOMBSA-N 423.238 2.833 50 40 HFGB COc1cc(/C=N/NC(=O)c2nn(C)c(=O)c3ccccc23)ccc1OCC(C)C 6507305 JKLMBSLQUNIIAI-FSJBWODESA-N 408.458 2.741 50 40 HFGB O=C(COC(=O)C1c2ccccc2Oc2ccccc21)NNC(=O)c1cccs1 7976528 JTIAYHIQHFXPFQ-UHFFFAOYSA-N 408.435 2.990 50 40 HFGB CCCCCCC(=O)NN/C=C1\C(=O)N(c2cccc(OC)c2)C(=S)N=C1O 38162967 PTMIDPAJTLPXRV-QINSGFPZSA-N 404.492 2.758 50 40 HFGB O=C(Cc1ccccc1)NNC(=O)c1cc2cc(Br)ccc2oc1=O 994369 NWWUVDLHGWNTGY-UHFFFAOYSA-N 401.216 2.559 50 40 HFGB CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1ccccc1C(C)C 9423894 YPWHLNCUJKYATA-GZQZNAIASA-N 413.499 2.502 50 40 HFGB CCCCn1nc(C(=O)NNC(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccccc2c1=O 9662282 HEQWBSIVKAYQMP-UHFFFAOYSA-N 424.417 2.571 50 40 HFGB O=C(NNc1ccccc1[N+](=O)[O-])c1ccc(Sc2ncn[nH]2)c([N+](=O)[O-])c1 13527448 RLKYDNPUTNNIMI-UHFFFAOYSA-N 401.364 2.529 50 40 HFGB Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CCc1ccc(C(C)C)cc1 40144440 ZKXLBDRWXMWLFH-UHFFFAOYSA-N 416.547 2.805 50 40 HFGB C[C@H](Oc1ccc(/C=C(/C#N)C2=NN(c3ccccc3)[C@@H](N)[C@H]2C#N)cc1)C(=O)O 253564617 GSHFNTUKBQUQMD-WYXRRMJBSA-N 401.426 2.746 50 40 HFGB COc1ccc([C@@H]2[C@H]3CN(C(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC 4473447 VKNLPMQDTJAVEP-GHTZIAJQSA-N 403.486 2.838 50 40 HFGB COc1cc2c(cc1OC)C1=C[C@]3(C(=O)Nc4ccc(C)cc43)C(C#N)=C(N)N1CC2 5450735 OGCSEJGVYZVKHM-XMMPIXPASA-N 414.465 2.809 50 40 HFGB Cc1ccccc1NCC(=O)N/N=C1/C(=O)N(C)c2ccc(Br)cc21 100830318 AAZWQBXADUEONC-OQKWZONESA-N 401.264 2.666 50 40 HFGB O=C(N/N=C/c1cc(Br)ccc1O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 409158385 SQRQYCYIQJFTOX-PITUFAOZSA-N 420.238 2.797 50 40 HFGB Cc1ccc(C(=O)Nc2nnc(CC(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)s2)cc1 1953681 SWTFFSJTSKXHOB-RGVLZGJSSA-N 424.442 2.700 50 40 HFGB Cc1cccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCC(C)C)cc2)c1C 6867939 ONOIWXRDZZFLRX-DHRITJCHSA-N 424.501 2.543 50 40 HFGB COc1cc(/C=N/NC(=O)CNc2ccc(C)cc2)cc(Cl)c1OCC(=O)O 408530140 LHLBFVOLJNDSBZ-LSFURLLWSA-N 405.838 2.683 50 40 HFGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)c(OC)c1 408610192 MQMUQGJUOIVUQD-CHOFVFFHSA-N 401.438 2.778 50 40 HFGB CCOc1ccc(-n2nc(C(=O)N/N=C\c3cccc(C)c3)c(C)c(C#N)c2=O)cc1 409058273 NJOFWKDHCNGOFJ-QFEZKATASA-N 415.453 2.884 50 40 HFGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cc(C)ccc2C)c1 409254595 FDDCDZNRHJWNQQ-ZRWQFTNJSA-N 424.501 2.686 50 40 HFGB COc1ccc(C)cc1-n1nnnc1SCC(=O)C(C#N)=C1Nc2ccccc2N1 4015019 JPQVEJUWJZSAQV-UHFFFAOYSA-N 419.470 2.913 50 40 HFGB Cc1c(C(=O)NNC(=O)c2ccccc2O)cnn1-c1cccc(C(F)(F)F)c1 29564062 WFMBMYZGTNVSKL-UHFFFAOYSA-N 404.348 2.980 50 40 HFGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(I)cc1 33731323 JFBRVFLZJFAKJI-YVLHZVERSA-N 409.183 2.892 50 40 HFGB C=CCOc1cccc(/C=N/NC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)c1 408908757 YNXBFDICYAXKHU-HYARGMPZSA-N 415.515 2.785 50 40 HFGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccccc1I 711271 HNMVZYSKUJZXTN-AWEZNQCLSA-N 410.211 2.936 50 40 HFGB CCOc1cc(/C=N\NC(=O)CN2CCOCC2)ccc1OCc1cccc(F)c1 59246448 KKDYYIDNJKJPRL-OYKKKHCWSA-N 415.465 2.586 50 40 HFGB Cc1cc(-n2cncn2)ccc1C(=O)NNC(=O)CSc1ccc(Cl)cc1 78877941 KUKGBAIRFRALEE-UHFFFAOYSA-N 401.879 2.782 50 40 HFGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cccc(C)c1)S(C)(=O)=O 408785557 HLFJWHVVXYENFY-RGVLZGJSSA-N 409.895 2.573 50 40 HFGB C/C(=N\NC(=O)CN(c1cccc(C)c1C)S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 408907771 RBOSQBAOCYJQNW-HMMYKYKNSA-N 418.475 2.518 50 40 HFGB CCOC(=O)c1ccc(C[C@H]2S/C(=C(/C#N)C(N)=O)N(c3ccccc3)C2=O)cc1 2367415 SPSAKLRJWZSKRE-QUWSGOTNSA-N 421.478 2.775 50 40 HFGB COc1ccc(CC(=O)N/N=C/c2cc([N+](=O)[O-])cc(Br)c2O)cc1 4866057 RSSOVBWNGJNNHD-GIJQJNRQSA-N 408.208 2.764 50 40 HFGB COc1ccccc1OCC(=O)N/N=C/c1cc2c(cc1Br)OCO2 8182270 MIGUICNDPBFZDR-UFWORHAWSA-N 407.220 2.716 50 40 HFGB O=C(CN(c1ccccn1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(F)cc1 19951234 NDUPZPLBVMIHBP-OEAKJJBVSA-N 412.446 2.566 50 40 HFGB COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@@H]3COC(=O)[C@@H]32)OOC4)cc(OC)c1OC 245190517 MYWQJMRXONAHHB-FCDRMGDPSA-N 414.410 2.505 50 40 HFGB O=C(N/N=C/c1cc(Br)c(Br)o1)[C@@H](O)c1ccccc1 704664 LNOBHEDZTQNYJT-JRUYLCMPSA-N 402.042 2.988 50 40 HFGB COc1ccc(OCC(=O)N/N=C/c2ccc(I)cc2)cc1 1054368 ZHHHJAMRWSEZBZ-VCHYOVAHSA-N 410.211 2.829 50 40 HFGB O=C(NNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1)c1ccc(Cl)cc1 2639764 VBWCLNFQKCQQIO-SFHVURJKSA-N 423.856 2.961 50 40 HFGB O=C(CNC(=O)c1ccc2c(c1)OCO2)NN(Cc1ccccc1)Cc1ccccc1 12974335 HERDNYNXMJOKSY-UHFFFAOYSA-N 417.465 2.879 50 40 HFGB O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21)NCCSSc1ccccn1 22051769 MAJOROISBURONW-WWGRRREGSA-N 412.606 2.664 50 40 HFGB in-vitro COc1ccc(Cl)cc1N1C[C@H](C(=O)NNC(=O)c2ccc(Cl)cc2)CC1=O 29488880 HIOUIEJXDOGJFA-GFCCVEGCSA-N 422.268 2.816 50 40 HFGB Cc1c(C(=O)N/N=C\c2ccccc2Cl)nn(-c2ccc(F)cc2)c(=O)c1C#N 409056996 GANVYULVCVZBMI-MYKKPKGFSA-N 409.808 2.969 50 40 HFGB CCOC(=O)c1ccc(NC(=S)NNC(=O)c2cc(OC)cc(OC)c2)cc1 1410855 URUTYTYRIIJMQS-UHFFFAOYSA-N 403.460 2.512 50 40 HFGB CCOc1ccc(N(CC(=O)N/N=C/c2cccc(Cl)c2)S(C)(=O)=O)cc1 19954898 UZMSXVRQNFWKQV-UDWIEESQSA-N 409.895 2.655 50 40 HFGB CC(=O)N[C@@H](CC(=O)NNC(=O)COc1ccc(Cl)cc1C)c1ccc(C)cc1 22896656 YWKAIJGFUSNQQX-SFHVURJKSA-N 417.893 2.751 50 40 HFGB C[C@@H](Sc1nnnn1C[C@H]1CCCO1)C(=O)/C(C#N)=C1/Nc2ccccc2S1 30346806 IGZCWAXLVRAHSZ-HBGZKMQYSA-N 414.516 2.855 50 40 HFGB CCOC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1cccc(OC)c1OC 408608966 XWHIXGFFXCBORB-OAHLLOKOSA-N 400.460 2.652 50 40 HFGB CCN(CC)c1ccc(C(=O)NNC(=O)[C@@H](NC(=O)c2ccccc2)C(C)C)cc1 3301275 CQXLFXWAVONULI-FQEVSTJZSA-N 410.518 2.748 50 40 HFGB COc1cc(/C=N/NC(=O)c2c(C)nc3ccc(Br)cn23)ccc1O 59459788 AIENKFLWBPDTFZ-UFWORHAWSA-N 403.236 2.883 50 40 HFGB O=C(N/N=C1/C(=O)N(Cc2ccccc2)c2ccccc21)[C@@H]1COc2ccccc2O1 96775041 FWVJGVQFASWYGU-QTANXNOISA-N 413.433 2.894 50 40 HFGB CCNC(=O)CN1C(=O)/C(=N\NC(=O)c2ccc(C(C)(C)C)cc2)c2ccccc21 100280466 CVEWOHKUBVFYSW-QQTULTPQSA-N 406.486 2.601 50 40 HFGB CN1/C(=C(\C#N)C(=O)CSc2nnnn2-c2cccc(F)c2)Nc2ccccc21 100739511 KOTGRDMGFCHRPZ-NBVRZTHBSA-N 407.434 2.760 50 40 HFGB N#C/C(=C\c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)c1nn(-c2ccccc2)c(N)c1C#N 408721552 SROZABQJGIMXRW-WUXMJOGZSA-N 417.341 2.912 50 40 HFGB O=C(N/N=C/c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccco1 408766034 YTIBDPBMMFMVBN-XDHOZWIPSA-N 415.383 2.719 50 40 HFGB Cc1ccc(OCC(=O)NNC(=O)CSc2ncnc3sc(C)c(C)c23)cc1 4130276 HHYQEKPYJPNNEQ-UHFFFAOYSA-N 416.528 2.935 50 40 HFGB COc1cc(OC)c([N+](=O)[O-])cc1/C=N\NC(=O)c1cc(Br)ccc1O 408867103 JWDNFHQXROKGBG-LSCVHKIXSA-N 424.207 2.844 50 40 HFGB NC(=O)COc1ccc(Br)cc1/C=N\NC(=O)c1ccc(Cl)cc1 409269980 MZZRLWCGJNCDHU-ZBKNUEDVSA-N 410.655 2.731 50 40 HFGB O=C(COc1cccc(Br)c1)N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2 863177 GNCPXTDREGWZNI-CNHKJKLMSA-N 422.191 2.615 50 40 HFGB O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/C=C/c1ccc(Br)cc1 4150775 VRYSACPZDUOFNJ-IJHDONFNSA-N 411.263 2.918 50 40 HFGB CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N/N=C/c1ccc([N+](=O)[O-])o1 5727377 BWMRMWHUJMLTKZ-KRQRNDJJSA-N 416.478 2.995 50 40 HFGB COC(=O)c1ccc([C@H]2CC(=O)NC(SCC(=O)N3CCCCC3)=C2C#N)cc1 6441040 VTMBWQSQJRGLRF-MRXNPFEDSA-N 413.499 2.558 50 40 HFGB CC(C)[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)NNC(=O)c1ccccc1 12754718 ZJXJCQSIEZCQRP-MRXNPFEDSA-N 418.291 2.665 50 40 HFGB O=C(CCNC(=O)c1ccc(Br)cc1)NNC(=O)c1cccc(Cl)c1 15903006 VFFYZWPWGHNFMX-UHFFFAOYSA-N 424.682 2.684 50 40 HFGB O=C(CN(Cc1ccco1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(F)cc1 59443763 GHQJOCVZFZDYRM-LPYMAVHISA-N 415.446 2.760 50 40 HFGB COC(=O)COc1cccc(/C=N/NC(=O)CN2C(=O)c3cccc4cccc2c34)c1 105316983 ATXXOARWSYTYMB-WYMPLXKRSA-N 417.421 2.502 50 40 HFGB O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)c1ccc(Cl)c(Cl)c1 408615205 NIPIZNZJMRTKST-LLVKDONJSA-N 410.232 2.947 50 40 HFGB CC[C@H](C)NC(=O)/C(C#N)=C/c1cc(I)c(O)c(OC)c1 408808856 GONCYWARNPSIHC-WUFUFFIZSA-N 400.216 2.827 50 40 HFGB COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccco4)c(=O)c32)cc1 2341692 KVCNBTTZJSAUNL-LJQANCHMSA-N 417.421 2.803 50 40 HFGB Cc1cccc(NC(=O)C(=O)N/N=C/c2cccc(I)c2)c1C 8426974 TZIYOTOBOQVGRC-VXLYETTFSA-N 421.238 2.997 50 40 HFGB COc1cccc(CN2C(=O)[C@@]3(C(C#N)=C(N)Oc4n[nH]c(C)c43)c3ccccc32)c1 9015117 BGXKPKREOPKINK-HSZRJFAPSA-N 413.437 2.646 50 40 HFGB CN1C(=O)/C(=N/NC(=O)COc2ccc(Cl)cc2Br)c2ccccc21 9272432 AJQIFLHUMRSICL-LTGZKZEYSA-N 422.666 2.978 50 40 HFGB CN1C(=O)[C@@]2(C(C#N)=C(N)N(c3ccc(Cl)cc3)C3=C2C(=O)OC3)c2ccccc21 20718396 HTTQOSAAABXWPD-JOCHJYFZSA-N 418.840 2.579 50 40 HFGB Cn1cc(C(=O)NNC(=O)[C@H]2CCCN(C(=O)c3cccs3)C2)c2ccccc21 32755315 QIXGZYWZPXQGDM-AWEZNQCLSA-N 410.499 2.553 50 40 HFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1Cl)c1cccc(Cl)c1 408776002 MDCQGRVIAHHXCS-VXLYETTFSA-N 400.287 2.910 50 40 HFGB CCOc1ccccc1N(CC(=O)N/N=C(\C)c1ccc(C)cc1)S(C)(=O)=O 408789434 JEOKCIAINKFWDK-LTGZKZEYSA-N 403.504 2.700 50 40 HFGB N#CC(C(=O)CSc1nnc(-c2ccccc2F)n1N)=C1Nc2ccccc2N1 6537555 LGUADKOAVDKDOF-UHFFFAOYSA-N 407.434 2.732 50 40 HFGB O=C(CNC(=O)C(c1ccccc1)c1ccccc1)N/N=C\c1ccc2c(c1)OCO2 31879875 FOSKKYNMYNPEGP-WGARJPEWSA-N 415.449 2.814 50 40 HFGB C[C@]12Sc3[nH]c(=O)sc3[C@@H](c3ccc(O)cc3)[C@H]1[C@@H]1C[C@@H]2[C@H]2C(=O)OC(=O)[C@@H]21 101262368 ADHPPXRKHNHSEK-IPHONURWSA-N 415.492 2.720 50 40 HFGB CN1C(=O)/C(=N\NC(=O)COc2ccc(Cl)cc2)c2cc(Br)ccc21 101644492 KHNCLWQBQFTNPO-PGMHBOJBSA-N 422.666 2.978 50 40 HFGB CCCCOc1ccc(/C=N\NC(=O)Cn2c(C)cc(COC)c(C#N)c2=O)cc1 408602441 NXBMYEUDNMDFJY-CFRMEGHHSA-N 410.474 2.504 50 40 HFGB CC1=C(C(=O)OCc2ccccc2)[C@@]2(C(=O)N1C)C(C#N)=C(N)Oc1ccccc12 4517076 UWDYHYNLKPXNLY-QHCPKHFHSA-N 401.422 2.500 50 40 HFGB O=C(CN1CCCc2ccccc21)NNC(=O)c1ccc(COCC(F)(F)F)cc1 14333971 IDPYUQQXHRQWGB-UHFFFAOYSA-N 421.419 2.979 50 40 HFGB COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)[nH]c2ccccc32)cc(OC)c1OC 18240843 GTAGTBGQYRFJTB-QGZVFWFLSA-N 405.410 2.772 50 40 HFGB COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)ccc1O[C@@H](C)C(=O)O 409020061 LRWJSMYUHZZLRO-SQWLXVSWSA-N 406.822 2.730 50 40 HFGB COc1cc(OC)cc(C(=O)NNC(=O)CCCOc2ccc(C(C)=O)cc2)c1 2651289 LSOHHWUCMWXXMF-UHFFFAOYSA-N 400.431 2.527 50 40 HFGB O=C(NNC(=O)C(c1ccccc1)c1ccccc1)c1csc(N2CCOCC2)n1 9912269 SBFSNGKGRSGVEP-UHFFFAOYSA-N 422.510 2.573 50 40 HFGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=C(/C#N)C(=O)NC(C)C)o2)cc1C 408825512 INYPAOAVMJDNGU-YBEGLDIGSA-N 408.458 2.583 50 40 HFGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cc(C)cc(C)c2)c1 409263188 IEJFSGIAUJZDSK-PDERCVKFSA-N 424.501 2.686 50 40 HFGB CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1ccc2ccccc2c1 9422895 ITVGMRSDLPXWDY-BDBXIWDTSA-N 421.478 2.532 50 40 HFGB COc1cccc([C@H]2CC(c3ccc(NS(C)(=O)=O)cc3)=NN2C(=O)CCl)c1 79112221 VXJLVYOLQXUOKQ-GOSISDBHSA-N 421.906 2.983 50 40 HFGB N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 1080619 DIKVNLKABHQPLJ-MRXNPFEDSA-N 403.354 2.932 50 40 HFGB O=C(Cc1ccccc1)NN1C(=O)[C@@H](Cl)[C@H]1c1cc(Br)ccc1O 1632083 KLEYOPKIZRULRG-JKSUJKDBSA-N 409.667 2.919 50 40 HFGB COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OCc1ccc(C(=O)O)cc1 9323058 YRYXYKZKMGLCIA-XDHOZWIPSA-N 422.437 2.738 50 40 HFGB CCn1c(NNC(=O)c2ccc(OCC(F)(F)F)nc2)nc2ccccc2c1=O 14367757 WFCVWIKIDDYBRK-UHFFFAOYSA-N 407.352 2.509 50 40 HFGB COc1c(O)cc(/C=N/NC(=O)c2ccccc2)cc1/C=N/NC(=O)c1ccccc1 16194634 VJODXJBNGUDJIJ-KOJZRSEWSA-N 416.437 2.929 50 40 HFGB COc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(I)c1OC 62692502 FFHDSRNUKLMZCP-WZUFQYTHSA-N 400.216 2.740 50 40 HFGB C=C1C(=O)O[C@@H]2/C=C(\COC(C)=O)CC/C=C(\C=O)C[C@@H](OC(=O)CC(C)C)[C@H]12 255897373 SLDSEAYVUCFJOD-QESAFPEZSA-N 404.459 2.841 50 40 HFGB biogenic,in-vitro CC[C@@H](C)Oc1ccccc1/C=N/NC(=O)Cn1c(C)cc(COC)c(C#N)c1=O 408603135 QGMKHJQCFDIXHH-UPVZUOOXSA-N 410.474 2.502 50 40 HFGB COc1ccc(N(CC(=O)N/N=C(\C)c2ccc(C)cc2)S(C)(=O)=O)cc1Cl 408784781 XIYISODTFIFQRC-KGENOOAVSA-N 423.922 2.963 50 40 HFGB CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)OC)N=C(O)[C@H]2C(=O)OC)cc1 2310597 NXIQDFDPUBDKJH-CVEARBPZSA-N 404.444 2.570 50 40 HFGB CCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2CC)cc1 6647875 TWGZTFPXLVQKMX-MFKUBSTISA-N 424.501 2.633 50 40 HFGB CCn1c(C)nc2cc(C(=O)NNC(=O)N(C)CCOc3ccccc3F)ccc21 9596537 HQLGBYHEZAVBIS-UHFFFAOYSA-N 413.453 2.869 50 40 HFGB O=C(CCNC(=O)c1ccc(Cl)cc1)NNC(=O)c1ccccc1Br 17358496 UPIWSWBZUNEWTP-UHFFFAOYSA-N 424.682 2.684 50 40 HFGB COc1ccc(N2C[C@H](C(=O)NNC(=O)c3ccc(Cl)cc3Cl)CC2=O)cc1 30579300 QHAKCZIELNBBPQ-LLVKDONJSA-N 422.268 2.816 50 40 HFGB Cn1cc(C(=O)NNc2ccccc2[N+](=O)[O-])c(-c2ccc3c(c2)OCCCO3)n1 32747747 IFIWMPFRBMVHAQ-UHFFFAOYSA-N 409.402 2.914 50 40 HFGB COc1ccc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-] 33301388 QBJOQUWOVJRGCG-HAHDFKILSA-N 405.410 2.990 50 40 HFGB C/C(=N\NC(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 408778029 OUWFMUKGDNGELN-HMMYKYKNSA-N 418.475 2.518 50 40 HFGB COc1ccc(/C(C)=N/NC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 408781527 UCXWOZCGWJHGOS-LTGZKZEYSA-N 403.504 2.618 50 40 HFGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N/NC(=O)c3ccc(C)cc3)o2)cc1 408877786 YMZRPPRAXCSSGR-AFUMVMLFSA-N 418.453 2.915 50 40 HFGB CCOc1ccc2ccccc2c1/C=N/NC(=O)CNC(=O)c1ccc2c(c1)OCO2 2290486 UBDMLWUJMKKTMV-BRJLIKDPSA-N 419.437 2.847 50 40 HFGB CCCNC(=O)/C(C#N)=C1\N=C(NC(=O)c2ccc(OC)c(OC)c2)c2ccccc21 5245332 HBGBIGNPILHPSV-JZJYNLBNSA-N 418.453 2.655 50 40 HFGB Cc1cc(C)c(C(=O)OCC(=O)NNC(=O)c2ccccc2Br)c(C)c1 9987305 QLXICQMBBPLZDY-UHFFFAOYSA-N 419.275 2.992 50 40 HFGB COCCCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1Nc1ccccc1F 408708296 OXRCQFAVHUMBNJ-FSJBWODESA-N 406.845 2.826 50 40 HFGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(N)=O)c(Cl)c2)cc1 409218784 HAANVOXVCNGKPU-RIYZIHGNSA-N 413.817 2.536 50 40 HFGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cc(C)ccc1C 409256536 LYEDATADROYWMG-PDERCVKFSA-N 424.501 2.686 50 40 HFGB Cc1cc(C)c2nc(NNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)sc2c1 4121449 LUGILBGOAVTCFT-UHFFFAOYSA-N 404.517 2.920 50 40 HFGB O=C(COc1ccc(/C=N/NC(=O)c2cccc(Cl)c2)cc1)NC[C@H]1CCCO1 28215429 FQANWPLIOAOJBW-QVHMZZSFSA-N 415.877 2.778 50 40 HFGB C[C@@H](Cc1ccc2c(c1)O[C@@H](C(=O)OC(=O)O)O2)NC[C@H](O)c1cccc(Cl)c1 138246048 KEYJFXTXWGRDMM-LLJZQGTPSA-N 421.833 2.913 50 40 HFGB COc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-] 1083287 QBJOQUWOVJRGCG-HZHRSRAPSA-N 405.410 2.990 50 40 HFGB Cc1ccsc1/C=N/NC(=O)CN(c1ccccn1)S(=O)(=O)c1ccccc1 4087616 ORWOGRYOCOUVNY-FYJGNVAPSA-N 414.512 2.797 50 40 HFGB CCOc1cc(/C=N\Nc2nnc(C)n2N)c(C)cc1N(CCCl)CCCl 4822360 WQZWTVWNNZYNII-NHDPSOOVSA-N 414.341 2.737 50 40 HFGB Cc1cc(OCc2ccc(C(=O)NNC(=O)[C@H](C)n3cncn3)cc2)ccc1Cl 24745602 KMKKHYBLKILSOA-AWEZNQCLSA-N 413.865 2.841 50 40 HFGB CCn1nc(C(=O)NNC(=O)c2cc(C(C)C)n(C(C)(C)C)n2)c2ccccc2c1=O 40142830 IFHVMJAHXVALBL-UHFFFAOYSA-N 424.505 2.566 50 40 HFGB O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)N[C@@H]1CS(=O)(=O)C[C@H]1Cl 575424793 NIWHXGFHKGMKQV-ZYHUDNBSSA-N 406.316 2.989 50 40 HFGB CN(C)c1ccc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)cc1Br 1106858 URGFYUWGRCBKLK-KEBDBYFISA-N 404.264 2.937 50 40 HFGB O=C(COCC(=O)N/N=C/c1ccccc1Cl)N/N=C/c1ccccc1Cl 1741466 DGKNSAAEMLKUIJ-VGENTYGXSA-N 407.257 2.610 50 40 HFGB COC(=O)COc1c(Cl)cc(/C=N/NC(=O)CCc2ccccc2)cc1OC 14134441 HMZWHFVMTRTMOB-WSDLNYQXSA-N 404.850 2.983 50 40 HFGB CCOc1cc(/C=N/NC(=O)CN2CCOCC2)ccc1OCc1cccc(F)c1 19851698 KKDYYIDNJKJPRL-ZVHZXABRSA-N 415.465 2.586 50 40 HFGB O=C(NNC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1)c1ccc2ccccc2n1 40069140 FRWAZPLQDHCRHH-AWEZNQCLSA-N 408.845 2.702 50 40 HFGB COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OC(C)=O 59333056 LDVLMJZVFGHVEL-RGEXLXHISA-N 405.454 2.876 50 40 HFGB C/C(=N\NC(=O)CN1CCN(Cc2ccc(C)cc2)CC1)c1ccc([N+](=O)[O-])cc1 1302221 KSEMXOLYVXSGQD-PTGBLXJZSA-N 409.490 2.561 50 40 HFGB COCCn1c(C)cc2c(c1=O)[C@@H](c1ccccc1Br)C(C#N)=C(N)O2 2430507 RLKYZBVSTLZNDG-INIZCTEOSA-N 416.275 2.784 50 40 HFGB COCCNC(=O)/C(C#N)=C\c1cc(Br)c(O)c(Br)c1 6372298 GXKWXPMAGNDBGG-WTKPLQERSA-N 404.058 2.587 50 40 HFGB COc1cc(/C=N/NC(=O)C(=O)Nc2cc(Cl)ccc2C)cc(OC)c1OC 59515967 MHGGDDVZLJUKOI-UFFVCSGVSA-N 405.838 2.763 50 40 HFGB COc1cccc(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c1 408850791 RFLOLQCTVYJJHT-LANLRWRYSA-N 421.906 2.652 50 40 HFGB COC(=O)COc1ccccc1/C=N/NC(=O)C(O)(c1ccccc1)c1ccccc1 408914055 XHHZRIPEERGUMK-PCLIKHOPSA-N 418.449 2.625 50 40 HFGB COc1cc(/C=N\NC(=O)COc2cccc(Cl)c2)ccc1O[C@@H](C)C(=O)O 409015237 AYJGHISVFUFJKG-INEXWVMZSA-N 406.822 2.730 50 40 HFGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cc(C)cc(C)c2)cc1 409266766 RCWVVLBBCWGSSD-ZRWQFTNJSA-N 424.501 2.686 50 40 HFGB CCC1(c2ccccc2)C(=O)N(CBr)C(=O)N(CBr)C1=O 1459293 ODAGYCFGDBXVSS-UHFFFAOYSA-N 418.085 2.830 50 40 HFGB COc1cc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)ccc1OC(=O)c1ccco1 3193361 ANPUJIUYAJLOHP-QOOAHNBZSA-N 422.393 2.798 50 40 HFGB CCCCCCOc1ccc(N2C(=O)C[C@@H](NNC(=O)c3ccncc3)C2=O)cc1 18143344 OCHRAFBFPHRREJ-LJQANCHMSA-N 410.474 2.607 50 40 HFGB CC(=O)Nc1ccc(C(=O)N/N=C/c2cc3c(cc2Br)OCO3)cc1 33778796 UOZZGLXFSBTQSQ-UFWORHAWSA-N 404.220 2.900 50 40 HFGB N#C/C(=C\c1ccc(OCC(N)=O)c(Br)c1)C(=O)Nc1ccc(F)cc1 409224119 KOPNTESCUCTEOW-KPKJPENVSA-N 418.222 2.998 50 40 HFGB Cc1onc(-c2ccccc2)c1C(=O)NNC(=S)NC(=O)c1ccc(Cl)nc1 2251757 BGZWAYZNVFXQLB-UHFFFAOYSA-N 415.862 2.648 50 40 HFGB COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)c1ccc2ncsc2c1 3446794 GPQRWFVVPPVESA-UHFFFAOYSA-N 419.846 2.576 50 40 HFGB Cc1ccc(NC(=O)CS[C@@H](C)C(=O)NNC(=O)Cc2ccc(F)cc2)cc1 8414792 SXGNAPNDVUCTEO-AWEZNQCLSA-N 403.479 2.584 50 40 HFGB CCn1c(C)nc2cc(C(=O)NNC(=O)c3ccc4c(c3)NC(=O)[C@@H](C)S4)ccc21 9509404 QBGMZJASYFGVFI-LLVKDONJSA-N 423.498 2.872 50 40 HFGB COc1ccc(CC(=O)N/N=C2\C(=O)Nc3cc(Br)c(C)cc32)cc1 12446970 JBBXTXYDNWRMAT-UHFFFAOYSA-N 402.248 2.781 50 40 HFGB COc1cc(/C=N\NC(=O)Cc2ccc(Br)cc2)c(O)c([N+](=O)[O-])c1 13595264 OJICAVUOHBKWAV-NVMNQCDNSA-N 408.208 2.764 50 40 HFGB O=C1N(CN2CCN(c3ccccc3)CC2)c2ccccc2[C@]12OC[C@@H](CCl)O2 16489094 HPBCMYWTBUQHOX-XMSQKQJNSA-N 413.905 2.620 50 40 HFGB CO[C@@H](C(=O)N/N=C/c1ccc(OCC(=O)OCCSC)cc1)c1ccccc1 20248420 LPKDOCYUKNTVCC-YRXLECQKSA-N 416.499 2.809 50 40 HFGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(C)c(C)c1 409262139 CVPDYFDJOWAKGG-ZRWQFTNJSA-N 424.501 2.686 50 40 HFGB CCOc1cc(/C=N/NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)ccc1O 1095082 BNWINCGCZXOYSY-ZVHZXABRSA-N 413.449 2.933 50 40 HFGB CC(=O)Nc1ccc(/C=N/NC(=O)c2ccc(CSc3nncn3C)cc2)cc1 3292760 ZETNVWGAVAXKNQ-SRZZPIQSSA-N 408.487 2.830 50 40 HFGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CC3(C)OCCO3)cc2)cc1 408777423 YVBQPFVDROFNEN-OEAKJJBVSA-N 411.458 2.616 50 40 HFGB COc1cccc(N(CC(=O)N/N=C/c2ccco2)S(=O)(=O)c2ccccc2)c1 408784463 RHXBBMBKSDSHDJ-KGENOOAVSA-N 413.455 2.634 50 40 HFGB COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)Cc2ccc(Br)cc2)c1O 4735337 XYDFLGJXYQJZSH-GIJQJNRQSA-N 408.208 2.764 50 40 HFGB Cc1ccc(OCCCC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)cc1 4895492 UTXIMHJEPUXGKE-UHFFFAOYSA-N 424.545 2.514 50 40 HFGB CCOc1cc(C(=O)NNC(=O)c2ccc(OC(C)C)cc2)c([N+](=O)[O-])cc1OC 17294050 VVXQHFAXJLHALY-UHFFFAOYSA-N 417.418 2.864 50 40 HFGB Cc1nc2sccn2c1C(=O)N/N=C/c1cc2c(cc1Br)OCO2 59516177 SJNYETWJVVMFGI-UBKPWBPPSA-N 407.249 2.959 50 40 HFGB CCS(=O)(=O)[C@H](I)C(=O)c1ccc(Br)cc1 96517943 ONSDFZJPYWXOKU-JTQLQIEISA-N 417.062 2.828 50 40 HFGB COc1ccc(N(CC(=O)N/N=C/c2cccc(C)c2)S(C)(=O)=O)cc1Cl 408784136 SHADHRFASQBTTJ-RGVLZGJSSA-N 409.895 2.573 50 40 HFGB O=C(c1ccc(O)cc1)N1CCC2(CC1)CO[C@@H](CI)C2 2056225786 BVJZEIMTYNUZHY-CQSZACIVSA-N 401.244 2.839 50 40 HFGB O=C(N/N=C/c1cc(Br)c(O)c(Br)c1O)c1ccncc1 863195 FADXTTPBJAREOT-UBKPWBPPSA-N 415.041 2.782 50 40 HFGB COc1ccc(CC(=O)NNc2ncnc3c2cnn3-c2ccc(C)cc2)cc1OC 1305631 VHZMYBKHBSHJRV-UHFFFAOYSA-N 418.457 2.827 50 40 HFGB Cc1cccc(OCCOc2ccc(/C=N/NC(=O)Cc3nnc(N)s3)cc2)c1 2308714 MYKBOZNEPSUPPC-LPYMAVHISA-N 411.487 2.579 50 40 HFGB COc1cc(/C=N/NC(=O)c2cccc(NC(C)=O)c2)cc(Br)c1O 6186283 UCYCWYSBJCDTSV-DJKKODMXSA-N 406.236 2.886 50 40 HFGB N#C/C(=C\c1c(N2CCCCC2)nc2ccccn2c1=O)C(=O)NCc1ccco1 2205921 XHRKYIHYMVHLQQ-DTQAZKPQSA-N 403.442 2.501 50 40 HFGB CC(=O)N[C@H](CC(=O)NNC(=O)COc1ccc(Cl)cc1C)c1ccc(C)cc1 22896661 YWKAIJGFUSNQQX-GOSISDBHSA-N 417.893 2.751 50 40 HFGB COc1ccc(CCNC(=O)CC(=O)N/N=C/c2c(F)cccc2Cl)cc1OC 59444804 KLAQNWKHDUUKJA-WYMPLXKRSA-N 421.856 2.695 50 40 HFGB Cc1cc(C)c(/C=N/NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)cc1C 408721570 UHBGIDJZABQYFO-AUEPDCJTSA-N 403.446 2.744 50 40 HFGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cc(C)ccc2C)c1 409254582 FDDCDZNRHJWNQQ-PDERCVKFSA-N 424.501 2.686 50 40 HFGB COc1ccccc1/C=N/NC(=O)Cc1nnc(NC(=O)Nc2ccccc2)s1 1958347 QWRGNWIYEULTNM-UDWIEESQSA-N 410.459 2.884 50 40 HFGB CCOC(=O)c1c(C)[nH]c(C(=O)NNC(=O)c2ccc(Br)cc2)c1C 2686088 KRMWHQWDYMWGHH-UHFFFAOYSA-N 408.252 2.646 50 40 HFGB CC(=O)Oc1ccc(/C=N/NC(=O)COc2cccc(Cl)c2)c(OC(C)=O)c1 2771458 JJIRMDBIPADGAH-UFFVCSGVSA-N 404.806 2.720 50 40 HFGB CCOc1ccc(N([C@H](C)C(=O)N/N=C/c2ccc(F)cc2)S(C)(=O)=O)cc1 408906254 DMKSOHWYFMWUAQ-CNRHGSOZSA-N 407.467 2.529 50 40 HFGB O=C(N/N=C/C(Cl)=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C(=O)O)cc1 2317238 VAZSWYMUYICMRR-AXIITOQOSA-N 416.777 2.613 50 40 HFGB CCOc1ccc(OCc2ccc(C(=O)NNC(=S)NC[C@H]3CCCO3)o2)cc1 6554328 XIDGQEOLHSMPOL-MRXNPFEDSA-N 419.503 2.545 50 40 HFGB CCn1c(SCC(=O)NNC(=O)c2cccs2)nnc1-c1ccc(OC)cc1 7061817 CXGQMMSVXGBTER-UHFFFAOYSA-N 417.516 2.588 50 40 HFGB O=C(NNC(=O)c1ccccc1F)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 8033537 FZPZDDBWQPWNSU-UHFFFAOYSA-N 413.430 2.701 50 40 HFGB Cc1cc2c(c(=O)n1Cc1ccccc1)[C@]1(C(=O)Nc3ccccc31)C(C#N)=C(N)O2 9355677 FCZDKAZLFFZECL-XMMPIXPASA-N 410.433 2.530 50 40 HFGB O=C(N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O)c1ccccc1[N+](=O)[O-] 59463323 QYFUZPOOUKWZRK-FRKPEAEDSA-N 409.152 2.735 50 40 HFGB Cc1sc2ncn3c(SCC(=O)NNC(=O)C4CCCCC4)nnc3c2c1C 6232978 SRDPGGDBRUYXKG-UHFFFAOYSA-N 418.548 2.776 50 40 HFGB CS(=O)(=O)Nc1cccc(C(=O)NNC(=O)c2cc3c(s2)CCCCCC3)c1 12698844 DSLDCVNEGZLWKB-UHFFFAOYSA-N 421.544 2.853 50 40 HFGB COc1ccc(C(=O)NNC(=O)C2(c3ccc(Br)cc3)CC2)cc1OC 12752612 XLHJIIRJDQILGN-UHFFFAOYSA-N 419.275 2.959 50 40 HFGB COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)c2ccccc2C3=O)cc(OC)c1O 97960665 HCFOOWMJPPVVNV-MRXNPFEDSA-N 404.378 2.550 50 40 HFGB CNC(=O)C(=O)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(OC)c1 408613337 ZDCIJGKLBKCYDK-LSFURLLWSA-N 410.257 2.777 50 40 HFGB CC(=O)N1CC=C2[C@H](C1)[C@@H](c1cccc(Br)c1)C(C#N)=C(N)C2(C#N)C#N 1070268 UEEAHDYSCXIXPZ-WMZOPIPTSA-N 422.286 2.721 50 40 HFGB Cc1ccc(N2C(=O)[C@@H](Cc3cccc([N+](=O)[O-])c3)S/C2=C(/C#N)C(N)=O)cc1 1887548 YCPJBBFYRMUFGQ-XUMLYMLNSA-N 408.439 2.815 50 40 HFGB O=C(Cn1cncn1)N/N=C/c1ccccc1OCc1ccc(Br)cc1 2317394 RPKMIIRLRLIDFK-ZVBGSRNCSA-N 414.263 2.770 50 40 HFGB N#Cc1ccccc1Sc1ccccc1C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1Cl 6863688 MQPVWVQAQHPUBN-HUUCEWRRSA-N 406.916 2.844 50 40 HFGB Cc1cccc(C(=O)NNC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)c1 408615877 UBZBPYYOSAURMO-AWEZNQCLSA-N 416.275 2.572 50 40 HFGB O=C(NN[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1=O)c1ccccc1Cl 18180790 MJGSZPZTKKMDFU-CQSZACIVSA-N 411.767 2.925 50 40 HFGB COC(=O)COc1c(Cl)cc(/C=N/NC(=O)Cc2ccc(OC)cc2)cc1OC 8117046 DCNWVAZUBYOYPM-SSDVNMTOSA-N 420.849 2.602 50 40 HFGB C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)c1ccc2[nH]cnc2c1 12506510 WNGABGDUIOHMEK-SNVBAGLBSA-N 403.236 2.554 50 40 HFGB O=C(O)Cn1cc(/C=N/NC(=O)COc2cccc3cccnc23)c2ccccc21 16525422 LMRKDFGXBHSGME-BHGWPJFGSA-N 402.410 2.803 50 40 HFGB O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)N/N=C\c1ccccc1O 16777111 VSTVKZRQKIHEJF-KSEXSDGBSA-N 404.451 2.981 50 40 HFGB Cc1nn(-c2cccc(Cl)c2)c(Cl)c1/C=N/NC(=O)C(=O)NCc1ccco1 17472442 DMCYXCHIGCPJLB-LSHDLFTRSA-N 420.256 2.847 50 40 HFGB C=CC(=O)Nc1ccc(C(=O)NNC(=O)c2cc(F)ccc2Br)cc1 1632463660 LJIDZWGJSZAUCL-UHFFFAOYSA-N 406.211 2.788 50 40 HFGB COc1ccc(/C=N/NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)cc1OC 1095078 TYXLCLVJHZIKOS-ZVHZXABRSA-N 413.449 2.845 50 40 HFGB CCCC[C@@H](CC)CNC(=O)CCC(=O)NNC(=O)Cn1ccc2ccccc21 4676504 PFWDOPMYSOOPFQ-QGZVFWFLSA-N 400.523 2.902 50 40 HFGB COc1cc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc(Br)c1O 5915548 JRBMSEWZQACVIE-GIJQJNRQSA-N 408.208 2.764 50 40 HFGB O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1ccc(NS(=O)(=O)c2cccs2)cc1 6131393 ORRACJOLCZOMMH-LICLKQGHSA-N 420.428 2.814 50 40 HFGB O=C(NNC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1)c1ccc2ccccc2n1 40069139 FRWAZPLQDHCRHH-CQSZACIVSA-N 408.845 2.702 50 40 HFGB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=N/NC(=O)COc1ccc2ccccc2n1 408741069 NRVBBHCIKAUPMM-ZMPUUUETSA-N 401.426 2.755 50 40 HFGB COc1ccccc1/C=N/NC(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O 408775971 LJXWWUXSHXAHHP-RGVLZGJSSA-N 409.895 2.573 50 40 HFGB Cc1ccc(NCC(=O)N/N=C/c2cc(I)ccc2O)cc1 1215675 SFDZPOWRWPQHAI-DJKKODMXSA-N 409.227 2.867 50 40 HFGB Cc1ccc(C(O)(C(=O)NNS(=O)(=O)c2ccc(C)cc2)c2ccc(C)cc2)cc1 2274478 SLXVEUABJPBOML-UHFFFAOYSA-N 424.522 2.857 50 40 HFGB O=C(CSc1nnc(Nc2ccccc2)s1)NNC(=O)c1ccc(F)cc1 2726586 PBENYTHFFSAPDU-UHFFFAOYSA-N 403.464 2.974 50 40 HFGB C/C(=N\NC(=O)CN(c1ccccc1Cl)S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 8843178 FXJKSGJJFVMMRA-XDHOZWIPSA-N 424.866 2.555 50 40 HFGB COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(=O)[nH]c2ccccc32)cc(OC)c1OC 18240844 GTAGTBGQYRFJTB-KRWDZBQOSA-N 405.410 2.772 50 40 HFGB O=C(N/N=C/c1ccc(O)c([N+](=O)[O-])c1)c1ccc(I)cc1 37142990 CGFWEKAFXCNWQP-LZYBPNLTSA-N 411.155 2.669 50 40 HFGB CCn1c(NNC(=O)/C=C/c2cnn(-c3ccccc3)c2)nc2ccccc2c1=O 40049239 NMUHZLQMGKVJPK-OUKQBFOZSA-N 400.442 2.759 50 40 HFGB Cc1cc(C(=O)NNC(=O)c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)c(C)o1 48333058 GJYFEIYULOEAIS-UHFFFAOYSA-N 400.385 2.924 50 40 HFGB N#CC1=C(S)NC(=S)[C@@H]([n+]2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 101362823 VHMUVWYQGJEESQ-CABCVRRESA-O 414.448 2.711 50 40 HFGB CCOC(=O)COc1ccc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1OCC 409253549 ZORMYMLXBUDVBT-QRVIBDJDSA-N 402.422 2.859 50 40 HFGB CCOc1ccc(N(CC(=O)N/N=C(\C)c2ccc(C)cc2)S(C)(=O)=O)cc1 19954953 MNPRWDRVULFHDP-LTGZKZEYSA-N 403.504 2.700 50 40 HFGB CCOC(=O)c1c(NC(=O)NNC(=O)c2cccnc2)sc2c1CC(C)(C)OC2 20100231 FKRJSONXTJZQJJ-UHFFFAOYSA-N 418.475 2.638 50 40 HFGB CC1(C)[C@@]2(C(=O)NN)CC[C@]1(C(Br)Br)[C@H]2Br 217605072 ILSUHDVXLKAOJW-PDFZIDOMSA-N 418.955 2.662 50 40 HFGB COc1ccc(/C=N/NC(=O)Cn2c(-c3ccccn3)nc3ccccc32)cc1O 226864641 KZWACELTLDJVSY-ZMOGYAJESA-N 401.426 2.963 50 40 HFGB CCOc1ccc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 408767562 MNWJSKMEUYSJMP-FYJGNVAPSA-N 403.504 2.618 50 40 HFGB COc1cc(/C=N/NC(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC 1920278 NZVLSRQZKLIMEW-SRZZPIQSSA-N 404.419 2.502 50 40 HFGB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccco1 16479066 VPPNKOSRYPFXMJ-CJLVFECKSA-N 411.483 2.663 50 40 HFGB CCc1ccccc1N(CC(=O)N/N=C/c1ccc(SC)cc1)S(C)(=O)=O 20208972 DLYOCHCUSGYEKS-DEDYPNTBSA-N 405.545 2.887 50 40 HFGB CN(C)c1ccc(C(=O)c2ccccc2C(=O)NNC(=O)c2ccco2)cc1[N+](=O)[O-] 25242420 KCVHMYCAURIJFC-UHFFFAOYSA-N 422.397 2.560 50 40 HFGB Cc1ccc(N2C[C@H](C(=O)NNC(=O)c3ccc(Br)cc3)CC2=O)cc1 408616497 ZHCNEBQYUSCJGK-CQSZACIVSA-N 416.275 2.572 50 40 HFGB C=CCc1cc(/C=N\NC(=O)Cc2cccc(OC)c2)cc(OC)c1OCC(=O)O 408808423 GTONDELNPNEWCY-QRVIBDJDSA-N 412.442 2.589 50 40 HFGB O=NN(CCCl)C(=O)Nc1cc(NC(=O)N(CCCl)N=O)cc(C(=O)O)c1 4897605 RRTCCTJFLQKSPL-UHFFFAOYSA-N 421.197 2.893 50 40 HFGB CCOc1ccc(OCc2ccc(C(=O)NNC(=S)NC[C@@H]3CCCO3)o2)cc1 6554327 XIDGQEOLHSMPOL-INIZCTEOSA-N 419.503 2.545 50 40 HFGB CN(C)c1cccc(OCC(=O)N/N=C\c2ccccc2I)c1 408550062 DDHXQXXVVBMYRC-ODLFYWEKSA-N 423.254 2.886 50 40 HFGB COc1ccc2c(c1OC)C(=O)O[C@H]2NNC(=O)c1cccc(Br)c1 2306208 WEWOZZQOFFYEQQ-MRXNPFEDSA-N 407.220 2.570 50 40 HFGB C=CCOc1ccc(/C=N/NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)cc1 20213861 WERCXJSLVMEFRQ-HYARGMPZSA-N 415.515 2.785 50 40 HFGB C#CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccc2c(c1)OCO2 5380585 VBVQFOMUWIFEMO-KEBDBYFISA-N 401.216 2.954 50 40 HFGB COc1cc([C@H]2C(C#N)=C(N)Oc3c2oc(CO)cc3=O)ccc1OC1CCCC1 8748275 PEDLHDLOSBZVHZ-IBGZPJMESA-N 410.426 2.680 50 40 HFGB CCn1c(NNC(=O)[C@@H](NC(=O)C2CCCCC2)C(C)C)nc2ccccc2c1=O 11166117 MCZJCNISHCYYBF-SFHVURJKSA-N 413.522 2.581 50 40 HFGB CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)NCc3cccnc3)c2C)cc1 58912327 QPQQFZKRFAJSQQ-CVKSISIWSA-N 419.485 2.654 50 40 HFGB CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OC)cc1 3061768 VRMZEAOLPURUMJ-RGVLZGJSSA-N 420.263 2.945 50 40 HFGB Cc1ccc(N(CC(=O)N/N=C/c2ccccc2Br)S(C)(=O)=O)cc1 20208031 WRYHRWICCAILNF-YBFXNURJSA-N 424.320 2.674 50 40 HFGB Cc1cccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NCC(C)C)c1C 409164703 MKJFDPFTRGLTII-DHRITJCHSA-N 424.501 2.543 50 40 HFGB CCc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)N[C@@H](C)CC)c2)cc1 409256086 JQGCRESBLITKHH-GCMSVZMUSA-N 424.501 2.631 50 40 HFGB COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C(C)(C)C)c32)cc(OC)c1OC(C)=O 5408076 IQHJTWILGQJIQF-HNNXBMFYSA-N 412.446 2.868 50 40 HFGB O=C(COc1cccc2ccccc12)NNC(=S)NCc1ccc2c(c1)OCO2 7006823 HEJCGQBEGKIHNA-UHFFFAOYSA-N 409.467 2.643 50 40 HFGB O=C(COc1cccc2cccnc12)N/N=C/c1ccc(N2CCOCC2)c(F)c1 409139708 DLOKLLREIDHNLW-AFUMVMLFSA-N 408.433 2.740 50 40 HFGB CCc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)N[C@H](C)CC)cc1 409255037 KFNOOBUOGJRNFR-HUSFYUSLSA-N 424.501 2.631 50 40 HFGB CNC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(OC)cc2)C(=O)N1c1cccc(OC)c1 2399345 OHXRZAUDGPMFQM-ODXGNSPJSA-N 423.494 2.876 50 40 HFGB C=C1C(=O)O[C@@H]2/C=C(\COC(C)=O)CC/C=C(\C=O)C[C@H](OC(=O)[C@@H](C)CC)[C@@H]12 100069861 ALJXWCROGAMOBL-CUBJKRHUSA-N 404.459 2.841 50 40 HFGB biogenic,in-vitro CC1=CC(=O)[C@@H](Br)[C@H](Br)/C1=N\S(=O)(=O)c1ccccc1 101028293 HSRUWLRUPQEIPE-AUHJOAGFSA-N 421.110 2.872 50 40 HFGB C[C@@H](CC(=O)NNC(=O)c1ccc(Br)cc1)CC(=O)N1CCCCC1 4715545 CCEHQUDPOJULOJ-ZDUSSCGKSA-N 410.312 2.639 50 40 HFGB CN(C)NC(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C12CC3CC(CC(C3)C1)C2 5718078 OPCDIPOQZDVSBK-YXSDIZSPSA-N 400.479 2.502 50 40 HFGB O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 5788050 XYFOEEKENAYWBJ-WNZYQOIOSA-N 409.530 2.789 50 40 HFGB CCOc1ccc(/C(C)=N/NC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)cc1 408906922 FDVNNSRVQKASOZ-WASCAKKMSA-N 403.504 2.780 50 40 HFGB COc1ccc2cc(C#N)c(SCC(=O)NNC(=O)Cc3ccccc3)nc2c1 1223612 RMWAOEBPTDQZEG-UHFFFAOYSA-N 406.467 2.597 50 40 HFGB O=C(NN[C@H]1CC(c2ccccc2O)=NN1C(=O)c1ccccc1)c1ccccc1 1504445 FRODYMFEJXDZPM-OAQYLSRUSA-N 400.438 2.903 50 40 HFGB COc1ccc(Br)cc1/C=N/NC(=O)C(=O)N[C@@H](C)c1ccccc1 5515693 WICUCHCKEBHNON-DQAKUKQTSA-N 404.264 2.785 50 40 HFGB C/C(=N\NC(=O)c1cc(Br)c[nH]1)c1ccc(N2CCOCC2)c(F)c1 7863361 GFGAQAZLSHWHEI-SRZZPIQSSA-N 409.259 2.907 50 40 HFGB COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)c1O 38185973 ASRGKXNVGOASMW-SSDVNMTOSA-N 423.429 2.935 50 40 HFGB O=C(CN1CCOCC1)N/N=C\c1ccc(OCc2c(F)cccc2Cl)cc1 408600515 CGYMEMAHLHDKOK-FMCGGJTJSA-N 405.857 2.840 50 40 HFGB COc1ccc(-n2c(NNC(C)=O)nc3sc4c(c3c2=O)CC(C)(C)OC4)cc1 2275573 YOQCPJVHSYRZOW-UHFFFAOYSA-N 414.487 2.770 50 40 HFGB O=C(N/N=C/c1cc(Br)c(N2CCOCC2)o1)c1cccc([N+](=O)[O-])c1 59249304 PJXAHNQRMKBHOL-VCHYOVAHSA-N 423.223 2.551 50 40 HFGB CC(=O)N/C(=C/c1ccccc1)C(=O)OCC(=O)C(C#N)=C1Nc2ccccc2N1 104371575 OGYUZTCWKCDBII-YBFXNURJSA-N 402.410 2.549 50 40 HFGB COC(=O)COc1c(Cl)cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC 107865823 MVCQSUNFBKNUTB-UKWGHVSLSA-N 421.793 2.573 50 40 HFGB Nc1nnc(CC(=O)N/N=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)s1 16385905 APWVRTRCIAWIQJ-WSVATBPTSA-N 406.811 2.635 50 40 HFGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cc(Br)c(O)c([N+](=O)[O-])c1 107726591 DPVACNWPXZCNGJ-IUXPMGMMSA-N 423.179 2.664 50 40 HFGB COc1cccc(/C=N/NC(=O)COc2cccc3cccnc23)c1O[C@@H](C)C(=O)O 409247401 HBGHELVTCIABDK-HZZGJGATSA-N 423.425 2.624 50 40 HFGB Cc1cccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2C[C@H]3[C@@H](Br)[C@H]2Br)n1 4892821 BFBQOWQCOPVYPS-HGPWQKRLSA-N 414.097 2.672 50 40 HFGB COC(=O)C(=O)C/C(=N/NC(=O)COc1ccccc1Cl)c1ccc(C)cc1 6585713 ZDMKPULXKQQHGA-JWGURIENSA-N 402.834 2.680 50 40 HFGB O=C(CN1CCN(Cc2ccccc2)CC1)N/N=C\c1ccc(Br)s1 22939674 IYASHVQSDYCQAY-NDENLUEZSA-N 421.364 2.779 50 40 HFGB COc1ccc(OCC(=O)N/N=C/c2ccc([N+](=O)[O-])s2)c(Br)c1 793638 IEBHALNIGIDTQM-FRKPEAEDSA-N 414.237 2.957 50 40 HFGB COCCNC(=O)/C(C#N)=C/c1c(Oc2ccccc2Cl)nc2ccccn2c1=O 3644007 YAYOTUICSHFAIV-WYMLVPIESA-N 424.844 2.810 50 40 HFGB CC1=C(C#N)C(=O)NC(=O)/C1=C\NC(=O)Nc1cc(C)c(C)cc1Br 6295195 QSXARSQKQSKDLF-GHXNOFRVSA-N 403.236 2.568 50 40 HFGB CCOc1ccc(C(=O)NNC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)cc1OC 6559767 FCOSZDIZTMFWDN-SFHVURJKSA-N 414.458 2.727 50 40 HFGB C[C@H]1C[C@H]1C(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 12757554 GXTJBGPHRLAAOP-MEDUHNTESA-N 407.879 2.558 50 40 HFGB CC(C)NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 28215550 QYCDHCWOSGZYCO-UFFVCSGVSA-N 418.837 2.916 50 40 HFGB C/C(=N\NC(=O)c1cnccn1)c1cc(Br)cc(Br)c1O 55355899 YBOUZYKOOIKWSM-CNHKJKLMSA-N 414.057 2.861 50 40 HFGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1ccc(CN2CCOCC2)cc1 408832266 XPQKDDANZHXWGW-CIAFOILYSA-N 402.838 2.844 50 40 HFGB COc1cc(/C=N/NC(=O)c2ccncc2)ccc1OCC(=O)Nc1ccccc1 832768 MQPLSRGBAKVIJM-ZVHZXABRSA-N 404.426 2.872 50 40 HFGB COc1c(Br)cc(/C(N)=N/OC(=O)CCl)cc1Br 4280848 BVGTYVHXLGOTNF-UHFFFAOYSA-N 400.454 2.623 50 40 HFGB O=C(/C=C1\NC2(CCCC2)Cc2ccccc21)C(=O)N/N=C/c1ccc(O)c(O)c1 4880150 RSUCRUMAMRCJFR-DFQSPPPFSA-N 405.454 2.617 50 40 HFGB CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)c1C 5326530 ZPCBGSCXAQXCPM-UHFFFAOYSA-N 408.414 2.807 50 40 HFGB CCOc1cc([C@@H]2C(C(=O)OC)=C(C)N=C3SC(C#N)=C(N)N32)ccc1OC 408606101 NZKZVABHNAGWJX-MRXNPFEDSA-N 400.460 2.652 50 40 HFGB CCCNC(=O)C(=O)N/N=C/c1cccc(OC)c1OCc1ccccc1Cl 408610156 MMTYYWRSWKGTEY-FSJBWODESA-N 403.866 2.904 50 40 HFGB Cc1ccc(-c2ccc(/C=N/NC(=O)Cn3c([N+](=O)[O-])cnc3C)o2)c([N+](=O)[O-])c1 409213603 UNEGHPXJTWGWRO-DNTJNYDQSA-N 412.362 2.727 50 40 HFGB O=C(COC(=O)c1ccc(Cl)cc1)NNC(=O)c1ccc(Br)cc1 7939767 GLJYFQXOSJIPOV-UHFFFAOYSA-N 411.639 2.721 50 40 HFGB COc1cc(/C=N/NC(=O)c2cc(C)n[nH]2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 868381 CFSHQQBSTQEWMD-SRZZPIQSSA-N 423.385 2.618 50 40 HFGB CCOc1ccc(N([C@@H](C)C(=O)N/N=C(\C)c2cccs2)S(C)(=O)=O)cc1 67190031 VEMGTHQFVYAHJD-ITRAFESCSA-N 409.533 2.842 50 40 HFGB O=C1[C@H]2[C@H](C(=O)N1c1cccc(O)c1)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br 101114075 LIAJPCACUBPKDT-GRRRKWKPSA-N 415.081 2.675 50 40 HFGB N#C/C(=C\c1ccc(OC(=O)c2ccccc2[N+](=O)[O-])cc1)C(=O)N1CCOCC1 408754937 STAJFUFOLRHNFH-DTQAZKPQSA-N 407.382 2.580 50 40 HFGB Cc1ccc(-n2nc(C(=O)N/N=C\c3ccncc3)c(C)c(C#N)c2=O)cc1Cl 409070880 NNWOJDUFXISXBO-MYKKPKGFSA-N 406.833 2.533 50 40 HFGB Cc1c(Cl)cc(S(=O)(=O)NNC(=O)c2cn(C)c3ccccc23)cc1[N+](=O)[O-] 12565176 WTYOVNMIOOYBCY-UHFFFAOYSA-N 422.850 2.672 50 40 HFGB Cc1cc(C)cc(NC(=O)C(=O)N/N=C/c2cc3c(cc2Br)OCO3)c1 408969300 LENIKLJHHRYJJM-DNTJNYDQSA-N 418.247 2.883 50 40 HFGB COc1cccc(/C=N\NC(=O)COc2ccccc2Cl)c1O[C@H](C)C(=O)O 409235056 AUOPVWGFGRKRRW-RRSAXVHRSA-N 406.822 2.730 50 40 HFGB CCOCCCNC(=O)/C(C#N)=C/c1c(Oc2ccccc2)nc2ccccn2c1=O 3643907 IIUUXEJTNWVTMZ-BMRADRMJSA-N 418.453 2.937 50 40 HFGB N#CCC(=O)N/N=C(/C[C@]1(O)C(=O)Nc2c(Cl)cc(Cl)cc21)c1ccccc1 5808865 FFOJXVAMYQIIGB-YPFLROGLSA-N 417.252 2.957 50 40 HFGB COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NNC(=O)c1ccc[nH]1 6991448 PMXOHLHMFRUZFG-UHFFFAOYSA-N 401.426 2.951 50 40 HFGB CC[C@H](C)C(=O)N(NC(=O)c1ccccc1)[C@@H]1CC(=O)N(c2cccc(OC)c2)C1=O 18223072 KXVFCWPRLUEJEW-HNAYVOBHSA-N 423.469 2.547 50 40 HFGB COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OC)c1OC 59676509 DLGVCDKRNQMUOB-AQTBWJFISA-N 407.470 2.968 50 40 HFGB CCOC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1cccc(OC)c1OC 408608965 XWHIXGFFXCBORB-HNNXBMFYSA-N 400.460 2.652 50 40 HFGB COc1cc(/C=N\NC(=O)COc2cccc(Br)c2)ccc1OCC#N 409369537 COCIKIMTXCFEPM-NHDPSOOVSA-N 418.247 2.889 50 40 HFGB CCCC(=O)Nc1nnc(CC(=O)N/N=C/c2ccc(Br)cc2)s1 1958292 CUPWOEGMPMCIOL-RQZCQDPDSA-N 410.297 2.732 50 40 HFGB Cc1cc2c(c(=O)n1C)[C@@H](c1ccc(N(C)C)c(Br)c1)C(C#N)=C(N)O2 20086788 SCHOXEZXGBRIQJ-INIZCTEOSA-N 415.291 2.740 50 40 HFGB O=C1[C@H]2[C@H](C(=O)N1Cc1ccco1)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br 102630465 NDWRDJDVZZCFMK-JKCCIXDMSA-N 403.070 2.558 50 40 HFGB CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1 408787836 GVZJUUJUVMXCLT-SFQUDFHCSA-N 408.410 2.961 50 40 HFGB COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1OCC(=O)O 408921738 BPKHJGKAKURANL-VGOFMYFVSA-N 411.370 2.921 50 40 HFGB C/C(=N\NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(Cl)cc1 409024987 OUXDSPXTTOSUCX-XDHOZWIPSA-N 424.866 2.555 50 40 HFGB O=C(N/N=C/c1ccc(F)c(I)c1)c1ccn2ccnc2c1 675083025 ITMNRJWQPSQVDW-DJKKODMXSA-N 408.174 2.842 50 40 HFGB Cc1ccc(S(=O)(=O)NNC(=O)C(O)(c2ccccc2C)c2ccccc2C)cc1 853682 ASGLYYAWDYYABF-UHFFFAOYSA-N 424.522 2.857 50 40 HFGB O=C(COc1ccc(Br)cc1)NNC(=O)Cc1c[nH]c2ccccc12 3449357 KDYRWRLNDXSOFF-UHFFFAOYSA-N 402.248 2.699 50 40 HFGB CCOC(=O)c1c(NC(C)=O)sc2c1CC[C@@H](I)C2=O 4350641 ZMCJFJKNUYXPSK-MRVPVSSYSA-N 407.229 2.816 50 40 HFGB COc1cc(/C=N/NC(=O)CSc2ccc([N+](=O)[O-])cc2)ccc1OCC#N 6735905 XWVFBWZFSJCNGV-RGVLZGJSSA-N 400.416 2.748 50 40 HFGB O=C(CSc1cccc2cccnc12)NNS(=O)(=O)c1cc(F)ccc1F 8107925 NBFDWXQLPDWIBL-UHFFFAOYSA-N 409.439 2.615 50 40 HFGB COc1ccc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(OC)c1OC 59333418 VDIRRYCULJMBHX-SDXDJHTJSA-N 407.470 2.968 50 40 HFGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccnc1)c1ccc(Oc2ccccc2)cc1 408881993 MTEIHAKMQXJCEY-HZHRSRAPSA-N 424.482 2.790 50 40 HFGB CS(=O)(=O)N(CC(=O)N/N=C/c1c(F)cccc1Cl)c1cccc(F)c1 409114704 PVFTVZLOBZLSFE-AWQFTUOYSA-N 401.822 2.535 50 40 HFGB O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)N[C@H]1CS(=O)(=O)C[C@@H]1Cl 575424791 NIWHXGFHKGMKQV-JQWIXIFHSA-N 406.316 2.989 50 40 HFGB N#C/C(C(=O)N1CCOCC1)=C1/S[C@@H](Cc2ccccc2)C(=O)N1c1ccccc1 2332780 JDEZBWGFYMVYEN-ZNCVUUBVSA-N 419.506 2.972 50 40 HFGB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)N/N=C/c3cccnc3)cc2)cc1 3475933 COKIVUFVDXVFDK-BUVRLJJBSA-N 422.510 2.975 50 40 HFGB COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C(C)(C)C)c32)cc(OC)c1OC(C)=O 5408077 IQHJTWILGQJIQF-OAHLLOKOSA-N 412.446 2.868 50 40 HFGB N#C/C(=C/NC(=S)N/N=C1/C(=O)Nc2ccccc21)c1nc2ccccc2s1 8665266 CBRCTRFRCLRTKN-KHPPLWFESA-N 404.480 2.981 50 40 HFGB CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cc(OC)ccc3OC)[C@@H]2C1 13116500 CRPJFFCFQDTCKF-TZIWHRDSSA-N 403.486 2.839 50 40 HFGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccc(Cl)c1)c1ccc(Cl)cc1 19954201 UCGLREBNJURSJL-VXLYETTFSA-N 400.287 2.910 50 40 HFGB CCc1ccc(OCC(=O)NNC(=O)C[C@@H](NC(C)=O)c2ccccc2Cl)cc1 32937504 GZPCDFFSGIJVMM-LJQANCHMSA-N 417.893 2.696 50 40 HFGB Cc1cccc(NCC(=O)N/N=C/c2cc([N+](=O)[O-])cc(Br)c2O)c1 36151061 PQISOSLGVQRRML-UFWORHAWSA-N 407.224 2.934 50 40 HFGB C/C(CC(=O)Nc1cccc(C(F)(F)F)c1)=N\NC(=O)C(=O)NC1CCCCC1 100922281 CNWNKIJBXCGLKM-BRJLIKDPSA-N 412.412 2.975 50 40 HFGB COc1cc(OC)c(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(OC)c1 408851396 YRJFLYOKMDNMRM-LGMDPLHJSA-N 407.470 2.968 50 40 HFGB COc1ccc(/C=N/NC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1[N+](=O)[O-] 408968860 CFWXQVSLJCTWDK-UFWORHAWSA-N 411.201 2.999 50 40 HFGB CCOC(=O)c1c(C)[nH]c(C(=O)NNC(=O)c2cccc(Br)c2)c1C 2686086 PLGWVTONUTXJFD-UHFFFAOYSA-N 408.252 2.646 50 40 HFGB CC(C)(C)c1ccc(C(=O)NNC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)cc1 28998877 PZVQWGAKXNSVMB-OAHLLOKOSA-N 423.469 2.527 50 40 HFGB C[C@@H](C(=O)N/N=C\c1ccc(O)cc1)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 31783261 AXIYLHMYFFHFAI-PQGZWWKGSA-N 410.499 3.000 50 40 HFGB COc1cc(/C=N\NC(=O)CNC(=O)C(c2ccccc2)c2ccccc2)ccc1O 31871096 VLVJRMQOJUZPMV-YSMPRRRNSA-N 417.465 2.799 50 40 HFGB CCc1c(C(=O)NNC(=O)c2c(C)nc3ccccn23)cnn1-c1ccc(C)cc1 32423455 OATGKGXJVPXQQD-UHFFFAOYSA-N 402.458 2.774 50 40 HFGB Cc1cc(SCC(=O)NNC(=O)Cc2nc3ccccc3n2C)nc2ccccc12 9219574 CZBQOXSHIAAISS-UHFFFAOYSA-N 419.510 2.912 50 40 HFGB O=C(CSc1nc2ccc(Br)cc2[nH]1)NNC(=O)c1ccccc1 20765409 HXQNCWGPUOAYAB-UHFFFAOYSA-N 405.277 2.879 50 40 HFGB NNC(=O)CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 223467176 GYFNPIQELWIBDO-UHFFFAOYSA-N 422.721 2.828 50 40 HFGB C/C(CC(=O)NCc1ccccc1)=N\NC(=O)C(=O)Nc1cccc(Cl)c1C 4402189 DVTVTLKHJMWWEM-ZMOGYAJESA-N 400.866 2.786 50 40 HFGB Cc1cc2c(c(=O)n1Cc1ccc3c(c1)OCO3)[C@@H](c1cccnc1)C(C#N)=C(N)O2 38154673 RBQKGGFKGONOMV-FQEVSTJZSA-N 414.421 2.547 50 40 HFGB CC(C)c1ccc(N(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])S(C)(=O)=O)cc1 408769077 NHHQLOOMVUWEFC-UDWIEESQSA-N 418.475 2.635 50 40 HFGB COc1cc(/C=N/NC(=O)CNc2ccc(Br)cc2)cc([N+](=O)[O-])c1O 409362921 HIRVHQXJLJGZGY-UFWORHAWSA-N 423.223 2.634 50 40 HFGB Cc1cc(OCC(=O)NNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc(C)c1Cl 1750116 AFNYDFQCZPAENB-UHFFFAOYSA-N 422.781 2.613 50 40 HFGB Cc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(I)c1 3166411 XCUIOVNXQUCHGM-VCHYOVAHSA-N 407.211 2.688 50 40 HFGB O=S(=O)(c1ccccc1)C(I)I 5217863 XPQBPGDCDTYGHL-UHFFFAOYSA-N 407.998 2.614 50 40 HFGB C/C(=N\NC(=O)CN(c1ccccc1)S(C)(=O)=O)c1ccc(Br)cc1 19954043 JKGPWJFCFLZOFS-CPNJWEJPSA-N 424.320 2.756 50 40 HFGB CCOC(=O)Cn1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c2ccccc21 107895551 DVZXYRPKKUORIV-UUYOSTAYSA-N 408.414 2.805 50 40 HFGB O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)N/N=C/c1ccccn1 408833852 VUEBZNWFUOWODT-OEAKJJBVSA-N 412.446 2.566 50 40 HFGB COc1cc2c(cc1/C=N\NC(=O)C(O)(c1ccccc1)c1ccccc1)OCO2 409101404 TUQLISGYZKEDKK-OYKKKHCWSA-N 404.422 2.810 50 40 HFGB CCCOc1ccc([C@H]2[C@@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC 20000608 WLIRNOIIACLERB-NQIIRXRSSA-N 403.486 2.839 50 40 HFGB O=C(N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O)c1cccc([N+](=O)[O-])c1 2749963 XBJSCCBHBGTMGN-FRKPEAEDSA-N 409.152 2.735 50 40 HFGB Cc1cccc(OCC(=O)NNC(=O)COc2ccc(Br)cc2C)c1 4550527 JRRFWKSGCBMTDG-UHFFFAOYSA-N 407.264 2.671 50 40 HFGB C[C@H]1C[C@@H]1C(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 12757544 GXTJBGPHRLAAOP-ZBEGNZNMSA-N 407.879 2.558 50 40 HFGB N#CCC(=O)N/N=C(\C[C@@]1(O)C(=O)Nc2c(Cl)cc(Cl)cc21)c1ccccc1 17176532 FFOJXVAMYQIIGB-WWJLXRQJSA-N 417.252 2.957 50 40 HFGB COc1ccc(CCNC(=O)C/C(C)=N/NC(=O)c2ccc(OC)c(OC)c2)cc1 100817730 APVINGCMUHMOIK-BUVRLJJBSA-N 413.474 2.567 50 40 HFGB CCOC(=O)c1csc(N(/N=C/c2cc(OC)c(OC)c(OC)c2)C(C)=O)n1 101385181 OZTXKBIOOBBXEX-DJKKODMXSA-N 407.448 2.733 50 40 HFGB CC(C)COc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)cc1 2176234 FRGPVZJAMSOQMD-WSDLNYQXSA-N 421.494 2.777 50 40 HFGB N#C/C(=C\c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1)C(=O)NCc1ccccc1 5006561 VTZQXJAAXYCNRI-IMEWXKHHSA-N 419.481 2.584 50 40 HFGB COc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)cc(Cl)c1OCC(N)=O 12817046 IZKOFNKYOMSLRH-OHNYQXTQSA-N 405.882 2.815 50 40 HFGB C=CCn1c(CC(=O)OCC)cs/c1=N/NC(=O)c1ccc(Br)cc1 27525964 KULMHKNQJVHHCA-LVZFUZTISA-N 424.320 2.849 50 40 HFGB O=C(NNC(=S)NC(=O)c1ccc(-c2ccc(Cl)cc2)o1)c1ccncc1 32118731 ALTSJISRVARMHL-UHFFFAOYSA-N 400.847 2.944 50 40 HFGB CCCCCCC(=O)Nc1nnc(CC(=O)N/N=C/c2ccc(O)c(OC)c2)s1 408731638 OHNFXYAWDAFQIV-UDWIEESQSA-N 419.507 2.854 50 40 HFGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(N)=O)cc2Br)cc1 408753209 FFBLYAJXZBGCCD-MDWZMJQESA-N 421.272 2.918 50 40 HFGB C#CCOc1ccc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc1OC 408867240 KMXIALLWECKFQK-WOJGMQOQSA-N 406.438 2.948 50 40 HFGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)c(C)c2)cc1 409262710 JQGTXTOYOHDXKC-ZRWQFTNJSA-N 424.501 2.686 50 40 HFGB Cc1ccc(-n2nc(C(=O)NN)c(/C=C/c3ccccc3Cl)c(C#N)c2=O)cc1 5546434 NBXMVYBQWBTWOB-DHZHZOJOSA-N 405.845 2.840 50 40 HFGB O=C(NNC(=O)c1ccsc1)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 15480596 ZLBTUNIEQVDFTR-UHFFFAOYSA-N 404.455 2.525 50 40 HFGB COc1cc(C(=O)N/N=C/c2ccc([N+](=O)[O-])o2)ccc1I 408746550 FCJPLMFVMYZBES-VIZOYTHASA-N 415.143 2.565 50 40 HFGB CCCOc1ccc(/C=N/NC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)cc1 408920979 AHMHTDBHSWNLHE-GXPOEHQZSA-N 403.504 2.780 50 40 HFGB C[C@H]1CCc2sc(C(=O)NNC(=O)N(C)C[C@@H]3COc4ccccc4O3)cc2C1 9532442 RNHIWKNTZRUHDK-DZGCQCFKSA-N 415.515 2.999 50 40 HFGB CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 16037502 UESUBFIIKWYOTQ-SJLPKXTDSA-N 408.849 2.993 50 40 HFGB COCc1c(C(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2)oc2ccccc12 21359058 TWYTZRFPBVMFLT-UHFFFAOYSA-N 414.414 2.680 50 40 HFGB CCOCCOCCO[C@]12C(=O)C(Cl)=C(Cl)C(=O)[C@]13[C@H]1C[C@@H]2[C@@H](Cl)[C@H]13 103835298 RKQLZICUXNCADK-BTEKRXLQSA-N 409.693 2.509 50 40 HFGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cc(C)cc(C)c1 409271978 WZPGMYLPAPWEEH-PDERCVKFSA-N 424.501 2.686 50 40 HFGB O=C(COCC(=O)N(c1ccccc1)c1ccccc1)NNC(=O)c1ccccc1 4738921 FNLLZMOAZBRBQO-UHFFFAOYSA-N 403.438 2.829 50 40 HFGB Cc1ccccc1N(CC(=O)N/N=C/c1ccc(OC(C)C)cc1)S(C)(=O)=O 5711687 UYSFTOBUKFKNGG-FYJGNVAPSA-N 403.504 2.699 50 40 HFGB COc1ccc(N(CC(=O)N/N=C/c2ccc(C)c(C)c2C)S(C)(=O)=O)cc1 20210362 PIQCBDYKLFKRTC-CIAFOILYSA-N 403.504 2.537 50 40 HFGB COc1ccc(/C(C)=N/NC(=O)CCN2CCN(c3ccccc3)CC2)cc1OC 20929798 DZZRGTZPKMQPQG-HKOYGPOVSA-N 410.518 2.756 50 40 HFGB O=C(NC[C@H]1CCCO1)C(=O)N/N=C/c1cc(Cl)ccc1Nc1ccccc1F 408708797 SWCRRHYYDXVDGU-SWKNLOBNSA-N 418.856 2.968 50 40 HFGB COc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCC2)Cc2ccccc2)cc1 408976377 QVESXFYCFFQNKC-UHFFFAOYSA-N 415.515 2.932 50 40 HFGB N#CCC(=O)N/N=C(/C[C@]1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccco1 5808973 MNZABRQENXPLLL-FIJRTHIRSA-N 407.213 2.550 50 40 HFGB CCc1nc2ccccc2n1CC(=O)OCC(=O)C(C#N)=C1Nc2ccccc2N1 6908065 NFWGLRXKLWJQOK-UHFFFAOYSA-N 401.426 2.984 50 40 HFGB Cc1csc(=O)n1CC(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 15760200 VSHWRKGZMPAGOL-CYBMUJFWSA-N 407.561 2.892 50 40 HFGB CC(C)OC(=O)c1ccc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)cc1 408686676 NLYODNBOZSEBPZ-SJJUBHFPSA-N 422.275 2.761 50 40 HFGB CC(C)Oc1ccc(/C=N/NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)cc1 409117016 WCUBPKYVZMXCJY-CIAFOILYSA-N 407.467 2.529 50 40 HFGB CC(=O)NNC(=O)CSc1nnc2c3c4c(sc3nc(C(C)C)n12)CCCC4 4848538 DFDQHYJJMJNAEG-UHFFFAOYSA-N 418.548 2.601 50 40 HFGB COc1cccc(OCC(=O)N/N=C(\C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 5417430 QHGRHBZIGQIWFF-HYARGMPZSA-N 414.418 2.812 50 40 HFGB COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)cc(I)c1O 32138877 IHMXWEFAZRVYGX-VZUCSPMQSA-N 424.194 2.822 50 40 HFGB O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2)cc1)Nc1ccccc1 58880729 MJVBVFNLMWCIBE-BUVRLJJBSA-N 416.437 2.793 50 40 HFGB CCOc1ccc(/C=N/NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc1OCC 409115480 JHKNQJPKTLPYRG-KGENOOAVSA-N 419.503 2.644 50 40 HFGB C#CCN1C(=O)/C(=N\NC(=O)COc2ccc(Cl)cc2Cl)c2ccccc21 5662724 MNQFLRVQDKVZMI-NKFKGCMQSA-N 402.237 2.873 50 40 HFGB O=C(COc1ccc(Br)cc1)N/N=C/c1ccc(N2CCOCC2)cc1 8123926 WMKRYDVIQGKLPK-FYJGNVAPSA-N 418.291 2.815 50 40 HFGB COc1cc(/C=N/NC(=O)C[N+](C)(C)C)ccc1OCc1nc2ccccc2nc1C 16265374 JEWDGJJBJYVVIY-ZMOGYAJESA-O 422.509 2.682 50 40 HFGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2C)cc(OC)c1OC 59515966 MWBGYWSPGWYTPC-UFFVCSGVSA-N 405.838 2.763 50 40 HFGB COCCNC(=O)Cn1cc(/C=C(\C#N)C(=O)Nc2ccccc2)c2ccccc21 5014758 NGPCIQNGVQOSSL-GHRIWEEISA-N 402.454 2.950 50 40 HFGB O=C(CN1CCCc2ccccc21)NNC(=O)c1ccccc1NC(=O)c1ccco1 12550249 SSEWIDDSQKZKKC-UHFFFAOYSA-N 418.453 2.746 50 40 HFGB COc1ccc(NC(=O)/C(C#N)=C/N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 20403615 CDMBOBOHJGMOIQ-OBGWFSINSA-N 420.469 2.588 50 40 HFGB CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2ccc(Br)cc2)cc1 59434128 LNYHKTAOJROKGJ-RGVLZGJSSA-N 418.247 2.715 50 40 HFGB O=C1[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C(=O)N1c1ccc(O)cc1 100825960 KKPZIIQFEYLENP-WYUUTHIRSA-N 403.070 2.819 50 40 HFGB O=C(COc1ccccc1)N/N=C1\C(=O)N(CN2CCCCCC2)c2ccccc21 101560188 NBIKCLJWTNNDBG-LVWGJNHUSA-N 406.486 2.766 50 40 HFGB N#C/C(=C/c1ccc(OCC(N)=O)cc1)C(=O)Nc1ccc(Br)cc1 408760774 FVBUQAAVDMZENT-LCYFTJDESA-N 400.232 2.859 50 40 HFGB O=C(N/N=C/c1ccc(F)c(F)c1)c1cccc(S(=O)(=O)N2CCCCC2)c1 3208542 XRCRRHZQISSOKB-LPYMAVHISA-N 407.442 2.903 50 40 HFGB O=C(Cc1ccccc1)NN1C(=O)[C@H](Cl)[C@@H]1c1cc(Br)ccc1O 5838516 KLEYOPKIZRULRG-CVEARBPZSA-N 409.667 2.919 50 40 HFGB O=C(NNC(=O)c1ccccc1OCc1cn2ccccc2n1)c1ccccc1O 12740649 PJULLTHMPLWOHX-UHFFFAOYSA-N 402.410 2.694 50 40 HFGB COc1ccccc1NC(=O)/C(C#N)=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1 408997459 GLJRSMOPLWCRFA-FOWTUZBSSA-N 408.414 2.986 50 40 HFGB NC(=O)COc1c(Cl)cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc1Cl 409249074 IILNUQPBEQMPEX-SCDVKCJHSA-N 411.201 2.530 50 40 HFGB COCCn1c(C)cc2c(c1=O)[C@H](c1ccccc1Br)C(C#N)=C(N)O2 2430509 RLKYZBVSTLZNDG-MRXNPFEDSA-N 416.275 2.784 50 40 HFGB CCOC(=O)Cn1cc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 6318976 GGVORUOKKCOLJB-WSDLNYQXSA-N 408.414 2.805 50 40 HFGB CCc1cc(C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)sc1C 12540969 VJVUDLMTVUMDRB-UHFFFAOYSA-N 400.548 2.592 50 40 HFGB O=C(NNC(=O)c1ccccc1C(=O)c1ccc(F)cc1)c1ccc2c(c1)OCCO2 13006554 DCTKZKSHQGCBRR-UHFFFAOYSA-N 420.396 2.903 50 40 HFGB CC1=C(C#N)C(=O)NC(=O)/C1=C\Nc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1 16349758 JKHSJGMEIFTPAR-UNOMPAQXSA-N 422.466 2.588 50 40 HFGB CC(C)CN1C(=O)/C(=N/NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c2ccccc21 100084684 IIZLJVOAVRYSGH-LVZFUZTISA-N 411.374 2.640 50 40 HFGB O=C1[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C(=O)N1c1cccc(O)c1 100517939 LIAJPCACUBPKDT-RHIYVLOFSA-N 415.081 2.675 50 40 HFGB CC(=O)Nc1ccc(C(=O)N/N=C/c2cc(Br)c(O)c([N+](=O)[O-])c2)cc1 108362226 FOESKBLTYBBCRX-QGMBQPNBSA-N 421.207 2.785 50 40 HFGB O=C(N/N=C/c1ccccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccco1 408753838 KPZRCXIVFKJYPK-XDHOZWIPSA-N 415.383 2.719 50 40 HFGB COc1cc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)cc(Br)c1O 409144381 YDHOCXFBDVYWKL-UFWORHAWSA-N 407.220 2.585 50 40 HFGB CCOC(=O)Cc1[nH]nc2c1[C@@H](c1ccc(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 6783850 KOLGZBZFTGIOTB-SFHVURJKSA-N 412.446 2.529 50 40 HFGB O=C(CCl)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1Cl 101311964 AZWIGSRBSFXKQS-LYFSXQJVSA-N 413.735 2.834 50 40 HFGB O=C(NCc1ccc(/C=N/NC(=O)c2ccccc2)o1)C(=O)Nc1cccc(Cl)c1 408769285 QLPTYISUMJEEOQ-ZMOGYAJESA-N 424.844 2.952 50 40 HFGB CC(C)c1ccc(N(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)S(C)(=O)=O)cc1 408780673 HPDIHVWJOAYNSP-UDWIEESQSA-N 418.475 2.635 50 40 HFGB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)[C@H]1C(=O)NC[C@@H]1c1ccccc1 3068796 JAEALZNPLGVIAH-WLVOPDRHSA-N 421.888 2.814 50 40 HFGB O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1O)[C@@H]1C[C@H]2[C@@H](Br)[C@H]1Br 4157187 MTFVELSRMDRANT-BBRXFSAJSA-N 415.081 2.675 50 40 HFGB COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br 408676100 AAOQUNLJTZMBGJ-IZIREBJPSA-N 400.656 2.858 50 40 HFGB O=C(COc1ccccc1[N+](=O)[O-])N/N=C\c1cccn1-c1cccc(C(=O)O)c1 409105166 GYEODKHXMVEAAO-MTJSOVHGSA-N 408.370 2.613 50 40 HFGB Cc1cc2c(c(=O)n1CCCn1ccnc1)[C@H](c1ccccc1F)C(C#N)=C(N)O2 2350652 XCYIFYBXIJXNOE-LJQANCHMSA-N 405.433 2.801 50 40 HFGB CCOc1ccc(NC(=O)CCC(=O)NNC(=O)COc2ccccc2Cl)cc1 6048196 MNEMPLYXYAJEOH-UHFFFAOYSA-N 419.865 2.684 50 40 HFGB CC[C@@H]1CCc2sc(C(=O)OCC(=O)NNC(=O)c3ccc(OC)cc3)cc2C1 9718262 HNHMTOKOARWYAS-CYBMUJFWSA-N 416.499 2.890 50 40 HFGB CC(C)c1ccc(/C=N\NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)cc1 29650637 PSCCAHMJEZFUNM-KSEXSDGBSA-N 403.446 2.942 50 40 HFGB CCN(CC)c1ccc(/C=N/NC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)cc1 5867187 VBLWHBKGLVVUCH-JMMZKRSASA-N 416.547 2.838 50 40 HFGB O=C(CCNS(=O)(=O)c1ccc(F)cc1)NNc1ccnc2cc(Cl)ccc12 8746824 DMWWKNWJMOKVFY-UHFFFAOYSA-N 422.869 2.839 50 40 HFGB COc1cn(-c2cccc(C(F)(F)F)c2)nc1C(=O)NNC(=O)Cc1ccccc1 26862503 MOHBNJOGZCHXQN-UHFFFAOYSA-N 418.375 2.903 50 40 HFGB Cc1ccc(C(=O)N/N=C/c2ccc(CNC(=O)C(=O)Nc3ccccc3)o2)cc1 408768617 HVTQFBBDMJQTLM-ZVHZXABRSA-N 404.426 2.607 50 40 HFGB O=C(CNC(=O)c1cccc(F)c1)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1 3115571 KTPWYOQRZPHSSJ-VULFUBBASA-N 419.412 2.925 50 40 HFGB CCOc1ccc(C(=O)NNC(=O)CCc2nc(-c3ccccc3)no2)cc1OC 8021496 OKANEOQVZBJPIH-UHFFFAOYSA-N 410.430 2.538 50 40 HFGB COc1ccc(/C=N/NC(=O)COc2ccc(OC)cc2Br)c(O)c1 1435002 XPILKMFBPHNEDI-DJKKODMXSA-N 409.236 2.701 50 40 HFGB COc1cc(/C=C(\C#N)C(=O)NC2CCCC2)cc(I)c1O 4599826 UMWCGCBQRNCCGN-IZZDOVSWSA-N 412.227 2.971 50 40 HFGB CCCCOCCCNC(=O)CCC(=O)NNC(=O)c1ccc(C(F)(F)F)cc1 4700644 VEOLQUYRZMSUSN-UHFFFAOYSA-N 417.428 2.570 50 40 HFGB COc1cc(/C=N/NC(=O)COc2cccc3cccnc23)ccc1O[C@@H](C)C(=O)O 9907612 MORQMGCVCQWUSZ-HZZGJGATSA-N 423.425 2.624 50 40 HFGB COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1cc(Br)c(O)c(OC)c1 408565820 AUYIAGWHXFOXRM-QGMBQPNBSA-N 424.207 2.844 50 40 HFGB N#C/C(=C\c1ccc(OCC(=O)NCc2ccco2)cc1)C(=O)NCc1cccnc1 408790290 OQXIMSMAPLHSKE-YBFXNURJSA-N 416.437 2.593 50 40 HFGB N#C/C(=C\c1ccc(OCC(N)=O)c(Br)c1)C(=O)NCc1ccccc1 409227344 ZMNYGAPTGPDMLR-OVCLIPMQSA-N 414.259 2.537 50 40 HFGB C[C@H](OC(=O)/C(C#N)=C/c1ccc(N(C)C)cc1)C(=O)NCc1ccc2c(c1)OCO2 4894440 COSJPAQLQKYMQX-ZNBBLSJYSA-N 421.453 2.636 50 40 HFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1C(F)(F)F)Cc1ccccc1 6584690 LLUUADXWZMVGQO-SSDVNMTOSA-N 413.421 2.617 50 40 HFGB CCCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccccc2CC)c1 6647920 AXDOHGPVOXWTDC-MFKUBSTISA-N 424.501 2.633 50 40 HFGB O=C(COC(=O)/C=C/c1ccc(F)cc1)NNC(=O)c1ccc(Br)cc1 12699164 HMHBFNJCWKZPKM-XCVCLJGOSA-N 421.222 2.606 50 40 HFGB COc1ccc(CCN2C(=O)CS/C2=N\NC(=O)c2cccs2)cc1OC 12712163 GJZLSTBDIMNAKD-ZZEZOPTASA-N 405.501 2.584 50 40 HFGB O=C(CC1CCCC1)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 12985554 IKIIFBGKVPYLAD-UHFFFAOYSA-N 415.515 2.506 50 40 HFGB Cc1c(-c2ccccc2)n[nH]c1C(=O)NNC(=S)NC(=O)/C=C/c1ccc(F)cc1 18191286 CNYKUTIQDCMOKJ-FMIVXFBMSA-N 423.473 2.873 50 40 HFGB O=C1[C@H]2[C@H](C(=O)N1Nc1ccccc1)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br 101509760 XEUZBZLQQASJJG-GRRRKWKPSA-N 414.097 2.791 50 40 HFGB COc1cc(OC)cc(C(=O)N/N=C(\C)CC(=O)Nc2ccccc2NC(C)=O)c1 107597644 RBQIFOYHIYXCCY-ZMOGYAJESA-N 412.446 2.797 50 40 HFGB COc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)N3CCCC3)c2C)cc1Cl 408971467 OVLKHOFPYBXESH-WSDLNYQXSA-N 402.882 2.829 50 40 HFGB Cc1cccc(NC(=S)NNC(=O)CCn2nc(C)c(Br)c2C)c1 655348 DIUWXXJJDLWWOK-UHFFFAOYSA-N 410.341 2.979 50 40 HFGB COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccncc4)c(=O)c32)cc1 1471775 CIMXOJMHQYYQBR-FQEVSTJZSA-N 400.438 2.827 50 40 HFGB O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)Cc1cccc2ccccc12 4895495 FTFFVESSPKDSPF-UHFFFAOYSA-N 416.525 2.742 50 40 HFGB CCc1ccc(-n2c(SCC(=O)NNC(=O)C(C)C)nnc2-c2cccnc2)cc1 13513261 KOPUYHXSMGPGLF-UHFFFAOYSA-N 424.530 2.787 50 40 HFGB CCOc1cc(/C=N\NC(=O)[C@@H]2COc3ccccc3O2)cc(Br)c1O 31885612 GNBNEGRICRMLOS-DMOKECBHSA-N 421.247 2.844 50 40 HFGB C[C@@]12Sc3[nH]c(=O)sc3[C@@H](c3ccc(O)cc3)[C@H]1[C@@H]1C[C@H]2[C@H]2C(=O)OC(=O)[C@@H]21 59690783 ADHPPXRKHNHSEK-SRMQOYBWSA-N 415.492 2.720 50 40 HFGB O=C(NNC(=S)NC(=O)c1ccco1)c1ccc(NC(=O)C2CCCCC2)cc1 2551593 JXSSOOVLMBKXTA-UHFFFAOYSA-N 414.487 2.748 50 40 HFGB Cc1c(C)n2c3c(=O)n(Cc4ccc(Cl)cc4)c(=O)n(C)c3nc2n1CCCl 10104453 BMMLKVOCGPKQTI-UHFFFAOYSA-N 420.300 2.707 50 40 HFGB CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)ccc1OCC(N)=O 58871276 NIHPPEBZDVJPNE-LSHDLFTRSA-N 421.906 2.845 50 40 HFGB CCOc1ccc(/C=N\NC(=O)c2nn(-c3cccc(C)c3)c(=O)c(C#N)c2C)cc1 409060073 SFTKFOLNMBUIOS-QFEZKATASA-N 415.453 2.884 50 40 HFGB Cc1n[nH]c2c1[C@@]1(C(=O)N(Cc3ccccc3F)c3ccccc31)C(C#N)=C(N)O2 5196112 NXKBGQXKMNVNQO-QFIPXVFZSA-N 401.401 2.776 50 40 HFGB Cc1cc(OCC(=O)NNC(=O)[C@H](C)Oc2ccccc2)ccc1Br 5540286 RWBIMEPSFVAGCM-ZDUSSCGKSA-N 407.264 2.751 50 40 HFGB O=C(CCl)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(C(F)(F)F)c1 9266970 DZYHZFOADADYHW-TUBFPLQUSA-N 412.842 2.546 50 40 HFGB CCCOc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)OC)c(OC)c2)cc1 20197900 JOVLVGRPALXYKT-LPYMAVHISA-N 400.431 2.800 50 40 HFGB Cc1cccc(N(CC(=O)N/N=C/c2ccccc2Br)S(C)(=O)=O)c1 20207839 YRRXMGWKPCTJQP-YBFXNURJSA-N 424.320 2.674 50 40 HFGB O=C(O)CC/C(=N\NC(=O)c1ccc(COc2cccc3cccnc23)cc1)C(=O)O 33553257 KVYMUYGDBFPGNJ-JJIBRWJFSA-N 421.409 2.849 50 40 HFGB COc1ccc(Br)cc1/C=N\NC(=O)CC(=O)NCCc1ccccc1 33686643 FPNJWBLWABNECO-XKZIYDEJSA-N 418.291 2.657 50 40 HFGB COc1ccc(CC(=O)N/N=C2/C(=O)N(CN3CCCCCC3)c3ccccc32)cc1 100355941 KGEHCZBQLDJADE-WNAAXNPUSA-N 420.513 2.938 50 40 HFGB COc1ccc(C(=O)NC(=S)NNC(=O)C2CCCCC2)cc1Br 2135400 UCGIRIKJZXBVPO-UHFFFAOYSA-N 414.325 2.674 50 40 HFGB Cc1ccc(-n2ncc(C(=O)NNC(=O)c3ccccc3O)c2C(F)(F)F)cc1 24834820 DNOZCIRTLGDXAS-UHFFFAOYSA-N 404.348 2.980 50 40 HFGB Cc1ccc(C(=O)NNC(=O)c2nc(-c3ccc(C)cc3)oc2N2CCOCC2)cc1 41154329 QEJZQGTYEOTMNL-UHFFFAOYSA-N 420.469 2.870 50 40 HFGB Cc1ccc(NCC(=O)N/N=C/c2ccc(O)c(I)c2)cc1 1214544 KHTNRVCIZPAOKX-DJKKODMXSA-N 409.227 2.867 50 40 HFGB Cc1ccccc1OCC(=O)NNC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 5635909 KJDXAFRJJDJABV-UHFFFAOYSA-N 412.446 2.734 50 40 HFGB CC(C)(C)c1cc(C(=O)N/N=C/c2cc([N+](=O)[O-])cc(Br)c2O)[nH]n1 6419549 VQFGNKKEDPVJRU-REZTVBANSA-N 410.228 2.847 50 40 HFGB NNC(=O)c1cn(C(=O)c2cccc(I)c2)c2ccccc12 226366555 OQBWLDJYEFEHDD-UHFFFAOYSA-N 405.195 2.538 50 40 HFGB CCOc1ccc(/C(C)=N/NC(=O)CN(c2ccc(CC)cc2)S(C)(=O)=O)cc1 409028956 VNYORHSTYIVRFZ-CJLVFECKSA-N 417.531 2.954 50 40 HFGB CN(C)c1ccc(/C=N/NC(=O)Cc2nnc(NC(=O)Nc3ccccc3)s2)cc1 1512777 YURZAPRYRYARGD-FYJGNVAPSA-N 423.502 2.941 50 40 HFGB C[C@H]1O[C@@H](Cl)C[C@@H](NC(=O)C(F)(F)F)[C@H]1OC(=O)c1ccc([N+](=O)[O-])cc1 5575057 OTACEVQPAKEQEB-PUYANOKMSA-N 410.732 2.541 50 40 HFGB COC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)N(C)C)cc1Br 59334035 HMHODGWZQYRNMD-WMZJFQQLSA-N 401.644 2.649 50 40 HFGB CC1=C(C#N)C(=O)N(C[C@H](C)O)C(=O)/C1=C/c1ccc(-c2ccc(C(=O)O)cc2)o1 100487719 IZVBHDJFQCVLBK-UWONZBIMSA-N 406.394 2.618 50 40 HFGB Cc1ccc(N2C(=O)/C(=C\NNC(=O)c3ccccc3Cl)C(=O)N=C2O)cc1C 8968814 QWEBULYJWWGHQG-GDNBJRDFSA-N 412.833 2.563 50 40 HFGB Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)c3ccncc3)cc2)c1 9378620 JSEOXLRGKCXOED-UHFFFAOYSA-N 424.482 2.574 50 40 HFGB Cc1cc(C)nc(NNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)n1 12536000 RQXPAKDNMGKZIB-UHFFFAOYSA-N 403.489 2.713 50 40 HFGB C[C@](CC(=O)NNC(=O)c1ccccc1Br)(C(=O)O)c1ccccc1 13255343 RSWNIWFZYXTVFQ-GOSISDBHSA-N 405.248 2.643 50 40 HFGB C[C@@H](Oc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1)C(=O)O 59303424 JQWLWKCAYURLKF-GZPJKGAFSA-N 418.449 2.925 50 40 HFGB CCOC(=O)/C=C(\N)NN(C(=O)OCC)c1cc(Cl)c(Cl)cc1[N+](=O)[O-] 100988381 FPNCJLCPUITABX-KPKJPENVSA-N 407.210 2.732 50 40 HFGB O=C(COC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)c1ccccc1)NNC(=O)c1ccccc1 138627042 NTFYUCIINNIMDJ-MMKMLUHNSA-N 420.465 2.536 50 40 HFGB COc1ccc(OC)c(/C=N/NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)c1 1095076 BQKZIKXZOZNDGF-ZVHZXABRSA-N 413.449 2.845 50 40 HFGB COc1cc([C@H]2CC(=O)NC(SCC(=O)NCc3ccccc3)=C2C#N)ccc1O 2311531 ZENMTGROIZAJBX-MRXNPFEDSA-N 423.494 2.789 50 40 HFGB CC(C)CNC(=O)/C(C#N)=C1\N=C(NC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21 5205441 WBYNZJASAQOQMB-HNENSFHCSA-N 417.425 2.792 50 40 HFGB NS(=O)(=O)c1ccc(-c2ccc(/C=N/NC(=O)[C@H]3C[C@@H]3c3ccccc3)o2)cc1 5493859 DTDWWQMSWSVREA-BAOAJVHZSA-N 409.467 2.848 50 40 HFGB CCOC(=O)COc1ccc(/C=N/NC(=O)c2cc(Br)ccc2O)cc1 14408688 QRBJNXAUYBCDFN-KEBDBYFISA-N 421.247 2.861 50 40 HFGB COc1ccc(/C=N/NC(=O)c2ccc(C(=O)N/N=C/c3ccc(OC)cc3)o2)cc1 17092144 RTDKKGHCIUUTID-RNIAWFEPSA-N 420.425 2.825 50 40 HFGB C=CCOc1cccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)c1 20209652 OWJRZJPOXIRILC-FYJGNVAPSA-N 421.906 2.821 50 40 HFGB COc1cc(/C=N/NC(=O)c2cc(Br)ccc2O)cc([N+](=O)[O-])c1O 37061992 PRKCFITXWPCWRK-REZTVBANSA-N 410.180 2.541 50 40 HFGB CNC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1 408607983 GGMFLWTXTPLTNJ-LSFURLLWSA-N 410.257 2.777 50 40 HFGB O=C1C[C@H](C(=O)Nc2ccccc2)SC(NNC(=O)c2ccccc2Cl)=N1 2366486 DTYVVPGOGKBTKJ-CQSZACIVSA-N 402.863 2.601 50 40 HFGB Cc1ccc(C(=O)NNC(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)cc1 17253498 ZJOATHFNQFQNIJ-UHFFFAOYSA-N 405.454 2.999 50 40 HFGB C=CCOc1c(/C=N\NC(=O)c2cc(OC)cc(OC)c2)cc([N+](=O)[O-])cc1OC 33652656 YXEDMYAUODYLQH-MTJSOVHGSA-N 415.402 2.949 50 40 HFGB COc1ccccc1N1CCN(C(=O)C(=O)N/N=C/c2ccc(C(C)C)cc2)CC1 59434024 PNUDRMKMRROUMN-LFVJCYFKSA-N 408.502 2.618 50 40 HFGB Cc1ccc(N2C[C@@H](C(=O)NNC(=O)c3ccc(Br)cc3)CC2=O)cc1 408616496 ZHCNEBQYUSCJGK-AWEZNQCLSA-N 416.275 2.572 50 40 HFGB O=C(COc1ccc(OCc2ccccc2)cc1)NNS(=O)(=O)c1ccccc1 16152824 CNGDVNJMRBDMSM-UHFFFAOYSA-N 412.467 2.654 50 40 HFGB COc1ccc(C)cc1N(CC(=O)N/N=C(\C)c1ccc(Cl)cc1)S(C)(=O)=O 408786118 MKTLCXKNPZZLHB-KGENOOAVSA-N 423.922 2.963 50 40 HFGB COc1ccc(OC)c(N(CCN2C(=O)c3ccccc3C2=O)C(=O)CCl)c1 1753225 CYEOPLVNUGTVGD-UHFFFAOYSA-N 402.834 2.572 50 40 HFGB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NNC(=O)COc1cc(C)ccc1C 15430343 ZMUAPOQHQJKJQB-HXUWFJFHSA-N 407.470 2.794 50 40 HFGB C/C(=N\NC(=O)CN1CCN(Cc2ccccc2Cl)CC1)c1ccc(O)cc1 19849532 PVJQITKRIMJDOF-XQNSMLJCSA-N 400.910 2.704 50 40 HFGB Cc1noc(C)c1COc1ccccc1C(=O)NNC(=O)COc1ccccc1F 29551289 LMOJLHSEUXYLPA-UHFFFAOYSA-N 413.405 2.850 50 40 HFGB COC(=O)COc1ccc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)cc1 408528270 HGQQORDIZHSPSF-YSURURNPSA-N 409.364 2.819 50 40 HFGB COc1ccc([C@@H]2C(C#N)=C(N)C(C#N)(C#N)C3=CCN(C(C)C)C[C@@H]32)c(OC)c1 669469 BOHRYMURFFJDQZ-GHTZIAJQSA-N 403.486 2.838 50 40 HFGB CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccccc2)c1 3443571 BHPOKNZVLTWTOJ-UHFFFAOYSA-N 409.467 2.587 50 40 HFGB O=C(NNC(=O)c1cc(Br)c(Br)s1)c1ccncc1 5173822 MPPIBIHOENRXRD-UHFFFAOYSA-N 405.071 2.743 50 40 HFGB CCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2c(C)cc(C)cc2C)cc1 6430249 XRLNEUWHGHHJTF-DHRITJCHSA-N 424.501 2.606 50 40 HFGB CC1=C(C#N)C(=O)N(CCN2CCOCC2)C(=O)/C1=C\Nc1cccc2ccccc12 8991056 RJJXEZBERZXTKT-PGMHBOJBSA-N 416.481 2.677 50 40 HFGB C[C@@H]1C[C@@H]1C(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 12757540 GXTJBGPHRLAAOP-BZNIZROVSA-N 407.879 2.558 50 40 HFGB CCCn1nc(C(=O)NNC(=O)C2(c3cccc(Cl)c3)CC2)c2ccccc2c1=O 12868375 INGIPOJRQOJCSY-UHFFFAOYSA-N 424.888 2.953 50 40 HFGB Cc1cc(O)cc(O)c1/C=N\NC(=O)CNC(=O)C(c1ccccc1)c1ccccc1 15134276 BRIMAMJFPGWNMZ-WGARJPEWSA-N 417.465 2.805 50 40 HFGB O=NN(CC(=O)N/N=C\C=C/c1ccccc1)CC(=O)N/N=C/C=C/c1ccccc1 17148399 NGGQPFWHNIOSMU-TZPNNYFWSA-N 418.457 2.601 50 40 HFGB COc1ccc(/C=N/NC(=O)c2cc(C3CC3)nc3ccccc23)cc1OCC(N)=O 5661918 SPENOCCTJXHBRF-BRJLIKDPSA-N 418.453 2.749 50 40 HFGB Cc1cc(C)cc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCC(C)C)cc2)c1 6610096 CDYFRSZBDURGSM-DHRITJCHSA-N 424.501 2.543 50 40 HFGB CS(=O)(=O)N(CC(=O)NN=C1CCCCC1)c1cccc(Br)c1 20060500 WJWGFQYPXFRVLS-UHFFFAOYSA-N 402.314 2.651 50 40 HFGB Cc1ccc(C(=O)NNC(=O)CC(C)C)cc1S(=O)(=O)Nc1ccc(F)cc1 24608375 IBXIFFKSVUUIGV-UHFFFAOYSA-N 407.467 2.742 50 40 HFGB COc1cc(/C=C(\C#N)C(=O)NCCN2CCOCC2)ccc1OCc1ccccc1 27019284 PNELTCZBQONVQI-RCCKNPSSSA-N 421.497 2.630 50 40 HFGB O=C(CCl)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cc(Cl)ccc1Cl 101315958 UUBADZBZTOKRTR-HMILLTCMSA-N 413.735 2.834 50 40 HFGB CCc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)N[C@H](C)CC)c2)cc1 409256089 JQGCRESBLITKHH-HUSFYUSLSA-N 424.501 2.631 50 40 HFGB C/C(CC(=O)NCc1ccco1)=N\NC(=O)COc1ccc(C)cc1Br 8427578 NJJQARBAKQMRGW-FYJGNVAPSA-N 422.279 2.928 50 40 HFGB CC(=O)c1ccc(OCCCC(=O)NNC(=O)c2cc(-c3ccccc3)n[nH]2)cc1 8724070 IGBLIFOKFCOFNS-UHFFFAOYSA-N 406.442 2.900 50 40 HFGB COc1ccc(OC)c(S(=O)(=O)NNC(=O)c2cc3c(s2)CCCCC3)c1 12879453 BENYRYMWNUNDBB-UHFFFAOYSA-N 410.517 2.658 50 40 HFGB COc1cc(/C=N\NC(=O)[C@H]2COc3ccccc3O2)cc(Br)c1OC 36040363 IYOKCFSJSJKJHS-PADWCVLASA-N 421.247 2.756 50 40 HFGB O=C(NC[C@H]1CCCO1)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 408611262 QLNCRFCTKGTLAB-QVHMZZSFSA-N 415.877 2.664 50 40 HFGB O=C(COc1ccccc1Cl)N/N=C1/C(=O)Nc2ccc(Br)cc21 5522522 QUOWBYTZNWUMKX-UHFFFAOYSA-N 408.639 2.954 50 40 HFGB C[C@H]1O[C@@H](Cl)C[C@@H](NC(=O)C(F)(F)F)[C@@H]1OC(=O)c1ccc([N+](=O)[O-])cc1 5575058 OTACEVQPAKEQEB-FAQVLOEFSA-N 410.732 2.541 50 40 HFGB CCOc1ccccc1-n1nnnc1SCC(=O)C(C#N)=C1Nc2ccccc2N1 9783624 NDBOPEFDBUUALI-UHFFFAOYSA-N 419.470 2.995 50 40 HFGB COc1cccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)c1 20212780 MTEQPMIWUKTCFS-RGVLZGJSSA-N 409.895 2.573 50 40 HFGB COc1cccc(C(=O)N2CCC(C(=O)N/N=C/c3ccccc3[N+](=O)[O-])CC2)c1 409006860 RGXPNJKATXIHQL-HYARGMPZSA-N 410.430 2.606 50 40 HFGB Cc1cc(C(=O)O)cc(S(=O)(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)c1C 13078751 FLRZFSKCGNQMRS-UHFFFAOYSA-N 406.504 2.528 50 40 HFGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(C)c2)cc(Br)c1O 13921289 HIMOSVBLNMSDNG-AWQFTUOYSA-N 420.263 2.869 50 40 HFGB C=CCOc1cccc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)c1 20208470 QJBRLQZBHHKZLO-HYARGMPZSA-N 415.515 2.785 50 40 HFGB CC(C)C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)CCc2ccccc2)cc1 6883228 QPGAQQNTOSXXLE-UHFFFAOYSA-N 412.515 2.549 50 40 HFGB O=C(NNc1nc2c(F)cccc2s1)c1ccc(S(=O)(=O)N2CCCC2)cc1 11758007 JGZPESQXMRVJSE-UHFFFAOYSA-N 420.491 2.977 50 40 HFGB CCN(CC)CN1C(=O)/C(=N\NC(=O)c2ccco2)c2cc(Br)ccc21 20608610 IFNHXZLCHLQNDG-SILNSSARSA-N 419.279 2.822 50 40 HFGB O=C(NNC(=O)c1cn(-c2cccc(Br)c2)nn1)c1ccc(Cl)cc1 40073405 YKMAWWCGIGQVPI-UHFFFAOYSA-N 420.654 2.758 50 40 HFGB CCOC(=O)CS[C@]1(c2ccc(Cl)cc2)OC(N)=C(C#N)C1=C(C#N)C#N 100249665 JXTPTSYGKZQCQU-SFHVURJKSA-N 400.847 2.857 50 40 HFGB O=C1O[C@H]2[C@@H]3C[C@@H]([C@H]2Br)[C@H](C(=O)Nc2ccc(Br)cc2)[C@@H]13 102635498 VKPBQANEOBHOAA-QXMWZZNTSA-N 415.081 2.959 50 40 HFGB N#C/C(=C\c1cn(CC(=O)N2CCCCC2)c2ccccc12)C(=O)NC[C@H]1CCCO1 111902705 XLWXPVQPSGKNPU-ITICKHJUSA-N 420.513 2.856 50 40 HFGB CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)NCc3ccncc3)c2C)cc1 409002734 PMOXOPKTUDQMOG-CVKSISIWSA-N 419.485 2.654 50 40 HFGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)N3CCOCC3)cc2)cc1 409020738 SRDJJMNGVUXLEI-RGEXLXHISA-N 405.454 2.778 50 40 HFGB CN1/C(=C(\C#N)C(=O)COC(=O)CNC(=O)C2CCCCC2)Sc2ccccc21 6983898 ZYUUJKWKXVZXPP-QNGOZBTKSA-N 413.499 2.772 50 40 HFGB O=C(NC[C@H]1CCCO1)C(=O)N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 59960689 RIUPFPFXVZDQKF-VXHUXDJESA-N 409.364 2.711 50 40 HFGB Cc1ccccc1C(=O)NNC(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 52410848 AFZGASJEKVSESH-CYBMUJFWSA-N 416.275 2.572 50 40 HFGB COc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)OCCSC)cc2)cc1 5205571 QYPJSVGMYSWZEI-FYJGNVAPSA-N 402.472 2.744 50 40 HFGB CCOc1ccc(NC(=O)CCC(=O)NNC(=O)c2ccc(Br)o2)cc1 6601127 LDKLGFZFKGQUCR-UHFFFAOYSA-N 424.251 2.621 50 40 HFGB CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(N)=O)cc1OCC 409330888 BVQRPFKPQHNCES-KSEXSDGBSA-N 419.865 2.765 50 40 HFGB N#C/C(=C\c1c(N2CCCCCC2)nc2ccccn2c1=O)C(=O)N1CCCCC1 2200357 AEDMAGODTHICKV-FBMGVBCBSA-N 405.502 2.994 50 40 HFGB COc1ccc(OCC(=O)N/N=C/c2ccc(O)c([N+](=O)[O-])c2)c(Br)c1 14921630 FKBDMJKWFUTMCW-QGMBQPNBSA-N 424.207 2.601 50 40 HFGB COc1ccc(S(=O)(=O)NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1 7383439 HDLRAIYDXBKXJJ-AWEZNQCLSA-N 400.456 2.625 50 40 HFGB CCOc1ccccc1N1CCN(C(=O)NNC(=O)c2ccc(Cl)cc2)CC1 8394914 FIXHGNDHIDJHEQ-UHFFFAOYSA-N 402.882 2.915 50 40 HFGB O=C(NC[C@@H]1CCCO1)C(=O)N/N=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1 58914432 XQDTVGCQJNIKRR-DMBOVMDOSA-N 410.257 2.999 50 40 HFGB Cc1ccc(N2C[C@H](C(=O)N/N=C\c3cc(Br)ccc3O)CC2=O)cc1 409174777 OTDZETXPHVVXLT-YYLUKMIBSA-N 416.275 2.966 50 40 HFGB Cc1c(NC(=O)/C(C#N)=C/c2cccc([N+](=O)[O-])c2)c(=O)n(-c2ccccc2)n1C 1446802 RNSXIVBIOFHEKF-LFIBNONCSA-N 403.398 2.938 50 40 HFGB O=C(NN[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1=O)c1cccc(Cl)c1 2341476 KNDFDIVXVJLXKL-CQSZACIVSA-N 411.767 2.925 50 40 HFGB CN(CC(=O)N/N=C/c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 6544403 YAPHPQLKPHDSJA-VXLYETTFSA-N 400.287 2.764 50 40 HFGB O=C(COc1cccc2cccnc12)N/N=C1\SCC(=O)N1Cc1ccccc1 12712129 TUBOYCQBRLDZAD-FLFQWRMESA-N 406.467 2.776 50 40 HFGB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccn1 59472760 OTWKEDQAZGVLCM-OEAKJJBVSA-N 412.446 2.566 50 40 HFGB C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)C1(CNC(=O)OC(C)(C)C)CCCC1 79092995 OCKKAIWAUPXTNV-CQSZACIVSA-N 423.485 2.826 50 40 HFGB O=C(NN[C@H]1CC(=O)N(c2ccc(Br)cc2)C1=O)c1cccc(Cl)c1 96300104 XIRDVHHAIJYDCN-AWEZNQCLSA-N 422.666 2.669 50 40 HFGB COc1ccc(OC)c([C@H]2[C@H]3CN(C(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)c1 989019 IDEYSEQIMFVWJK-FPOVZHCZSA-N 403.486 2.838 50 40 HFGB CCOc1cc(/C=N/NC(=O)c2cccs2)ccc1OCCN1CCOCC1 20175936 ULJUHVVLTMGDKW-RCCKNPSSSA-N 403.504 2.622 50 40 HFGB COc1cc(N2CCOCC2)ccc1/C=N\NC(=O)COc1cccc(Cl)c1 409226269 MOBUFSLSSIZIRO-XKZIYDEJSA-N 403.866 2.714 50 40 HFGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cc(C)ccc2C)cc1 409257313 OAPATKCMCFGGJR-ZRWQFTNJSA-N 424.501 2.686 50 40 HFGB O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1ccc(OC(=O)c2ccco2)cc1 1435610 JZDNQYWWAMVGJK-CIAFOILYSA-N 409.354 2.936 50 40 HFGB O=C(NNC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)c1ccccc1 6919743 RHEPYDYKLQCUCS-UHFFFAOYSA-N 413.430 2.701 50 40 HFGB CC(C)(C)OC(=O)NNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 7980793 IZDOLEAEABEARL-UHFFFAOYSA-N 417.915 2.684 50 40 HFGB Cc1nn(-c2ccccc2)c2sc(C(=O)N([C@@H]3CCS(=O)(=O)C3)N(C)C)cc12 13008690 VVBZXMCPVMAILZ-OAHLLOKOSA-N 418.544 2.501 50 40 HFGB Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)C(=O)NCc2ccncc2)c1C 58912407 JKZADBZWWAEXMK-VULFUBBASA-N 403.486 2.872 50 40 HFGB C[C@H](NC(=O)OCC[PH](c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O 104198762 IIWVKDLDNBQZOF-IBGZPJMESA-N 423.449 2.912 50 40 HFGB COCCCNC(=O)Cn1cc(/C=C(\C#N)C(=O)NC2CCCC2)c2ccccc21 5015240 ZTIBMMVFBUYFTI-GHRIWEEISA-N 408.502 2.760 50 40 HFGB COc1ccc(C(=O)NNC(=O)COc2cc(C)ccc2C(C)C)c(OC)c1OC 12754778 VGNFBZKAUCISSI-UHFFFAOYSA-N 416.474 2.984 50 40 HFGB O=C(C[C@](O)(c1nc2ccccc2s1)C(F)(F)F)NNC(=O)c1ccccc1 14187860 LPEAACBMMHSNFU-KRWDZBQOSA-N 409.389 2.898 50 40 HFGB O=C(NNC(=O)c1cc2c(s1)CCC2)c1ccc(NC(=O)c2ccccn2)cc1 40144748 YJDWOEUUHMSKCW-UHFFFAOYSA-N 406.467 2.959 50 40 HFGB C/C(=N\NC(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O)c1ccc([N+](=O)[O-])cc1 408768916 LWOOQRZLVBEAEG-HMMYKYKNSA-N 418.475 2.518 50 40 HFGB COc1ccc(/C(C)=N/NC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)cc1 408789613 MZMVIQVEQNDXGQ-KGENOOAVSA-N 423.922 2.963 50 40 HFGB COc1cc(Br)ccc1OCC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 1433747 QFWYTGDGQMCGOC-GIJQJNRQSA-N 408.208 2.895 50 40 HFGB Cc1cc(Br)cc(/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])c1O 3118520 MJKNKBCHQFSGKK-QGMBQPNBSA-N 408.208 2.900 50 40 HFGB O=C(NNC(=S)NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(Cl)cc1 34967016 TYBBZCUUMJVVQN-UHFFFAOYSA-N 413.242 2.851 50 40 HFGB O=C(CCc1nncn1-c1ccccc1)NNC(=O)CC12CC3CC(CC(C3)C1)C2 72302677 WENDONKEGNMLAE-UHFFFAOYSA-N 407.518 2.954 50 40 HFGB O=C(CSc1ccc([N+](=O)[O-])cc1)NNC(=S)NCCCc1ccccc1 408588841 ZLGXBXIHCSTXBJ-UHFFFAOYSA-N 404.517 2.815 50 40 HFGB Cc1ccc(C(=O)N/N=C\c2cn(CC(=O)N3CCOCC3)c3ccccc23)cc1 408844768 IMTRJDYJHBYQFT-OYKKKHCWSA-N 404.470 2.572 50 40 HFGB COc1cc(/C=N/NC(=O)Cn2c(-c3ccccn3)nc3ccccc32)ccc1O 4750484 HIWRAJQHWSCJRW-ZMOGYAJESA-N 401.426 2.963 50 40 HFGB CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cc(OC)ccc3F)[C@H]2C1 6195009 MEGWETPXOPIUCM-HKUYNNGSSA-N 421.432 2.716 50 40 HFGB O=C(COc1ccc([N+](=O)[O-])cc1)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCCC1 8809639 XWONDGNQAWSBNT-UDWIEESQSA-N 413.390 2.632 50 40 HFGB COc1cc(OC)c(N2C[C@H](C(=O)NN(C)c3ccccc3)CC2=O)cc1Cl 13003054 RBDKXZGEEDWKSL-CYBMUJFWSA-N 403.866 2.878 50 40 HFGB CCOc1cc(/C=N\NC(=O)CN2CCOCC2)ccc1OCc1ccc(F)cc1 36093754 YWDJUHZUNVEBOF-OYKKKHCWSA-N 415.465 2.586 50 40 HFGB C=CCOc1c(/C=N\NC(=O)c2ccc(NC(C)=O)cc2)cc([N+](=O)[O-])cc1OC 107638658 PYWUBFCYKZMTCG-MTJSOVHGSA-N 412.402 2.891 50 40 HFGB COc1ccc(OC)c(N(CC(=O)NN=C(C)C)S(=O)(=O)c2ccc(C)cc2)c1 408786863 WTRNMERYXYDGIS-UHFFFAOYSA-N 419.503 2.720 50 40 HFGB CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1cc(Cl)c(O)c(OC)c1 408905679 CHEWPSCVFAAPAB-BFTVFPACSA-N 419.865 2.862 50 40 HFGB COc1cc(Br)ccc1OCC(=O)N/N=C/c1ccc(C(=O)O)cc1 3087116 ZQNFMCGRSLSFGW-DJKKODMXSA-N 407.220 2.685 50 40 HFGB COc1ccc(C(=O)N/N=C/c2ccc(I)o2)c(OC)c1 6381340 FXXFHHVOYKZJAQ-LZYBPNLTSA-N 400.172 2.665 50 40 HFGB O=C(CCNC(=O)c1ccc(Br)cc1)NNC(=S)Nc1ccccc1 12634153 JETBTHDNXUPCOJ-UHFFFAOYSA-N 421.320 2.587 50 40 HFGB O=C(COCC(=O)N/N=C/c1ccccc1Cl)N/N=C\c1ccccc1Cl 31723758 DGKNSAAEMLKUIJ-CHQRTDLRSA-N 407.257 2.610 50 40 HFGB O=C(NC[C@H]1CCCO1)C(=O)N/N=C/c1ccccc1OCc1ccccc1Cl 59386631 FPQLCNOGPSVIDR-FQIOEHTJSA-N 415.877 2.664 50 40 HFGB O=C(N/N=C/c1ccc(O)cc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 59921125 RINDJFDOWLEGAG-FYJGNVAPSA-N 421.906 2.597 50 40 HFGB C[C@H](CCc1ccccc1)NC(=O)CCC(=O)NNC(=O)Cn1ccc2ccccc21 199413411 DUUSZDPKBJWNIZ-GOSISDBHSA-N 420.513 2.706 50 40 HFGB CCOc1ccc(/C=N/NC(=O)CN(c2ccc(CC)cc2)S(C)(=O)=O)cc1 409024724 GRWOCJYEHPWZHR-KGENOOAVSA-N 403.504 2.564 50 40 HFGB CCc1ccc(N(CC(=O)N/N=C/c2cccnc2)S(=O)(=O)c2ccccc2)cc1 409028291 LDPCNGCOUIQRLF-LFVJCYFKSA-N 422.510 2.990 50 40 HFGB CCOc1ccc(N2C[C@H](C(=O)NNC(=O)c3ccccc3Cl)CC2=O)cc1 6402528 MREXFRARPZZNBE-CYBMUJFWSA-N 401.850 2.553 50 40 HFGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCC(C)C)cc2)cc1C 6842328 BDFLSZXAFMTLFB-DHRITJCHSA-N 424.501 2.543 50 40 HFGB C=C1C(=O)O[C@@H]2/C=C(\COC(C)=O)CC/C=C(\C=O)C[C@H](OC(=O)[C@H](C)CC)[C@@H]12 100069860 ALJXWCROGAMOBL-NAIUMFFUSA-N 404.459 2.841 50 40 HFGB biogenic,in-vitro O=C(CN1C[C@@H](c2ccccc2)CC1=O)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 408973662 NVHIXABVRQOGKG-LKKXKRCMSA-N 400.822 2.714 50 40 HFGB COc1ccc(C(=O)OCC(=O)C(C#N)=C2N(C)c3ccccc3N2C)cc1[N+](=O)[O-] 11238751 MKPOACNYTFCPAU-UHFFFAOYSA-N 422.397 2.651 50 40 HFGB COc1ccnc(NNC(=O)Cc2c(C)nn(-c3cccc(C(F)(F)F)c3)c2C)n1 40153975 BXBKJIWDXGQSDF-UHFFFAOYSA-N 420.395 2.992 50 40 HFGB Cc1cccc(NCC(=O)N/N=C/c2ccc(O)c(I)c2)c1 4746724 CPNIFFXNJDSQNV-DJKKODMXSA-N 409.227 2.867 50 40 HFGB Cc1cc(C)nc(NNC(=O)c2cc(S(=O)(=O)N3CCCC[C@H]3C)ccc2C)n1 14511336 LDYLNRSGAXQGMY-MRXNPFEDSA-N 417.535 2.722 50 40 HFGB COc1ccccc1NCC(=O)NNC(=O)c1ccccc1C(=O)c1ccccc1 24837094 XNONLGMNSGAGTE-UHFFFAOYSA-N 403.438 2.799 50 40 HFGB Cn1cc(Cl)cc1C(=O)NNC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 44379101 RYJZUCAUAXUHMJ-UHFFFAOYSA-N 419.819 2.706 50 40 HFGB COCCNC(=O)C(=O)N/N=C/c1cc(C)n(-c2cccc(Cl)c2Cl)c1C 58911624 VWEQMOQYFVWWLM-LSHDLFTRSA-N 411.289 2.614 50 40 HFGB C/C(=N\NC(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O)c1ccc([N+](=O)[O-])cc1 408778441 UQRPDOQGICLNIF-HMMYKYKNSA-N 418.475 2.518 50 40 HFGB O=C(N/N=C/c1ccc(Cl)cc1)C1CCN(S(=O)(=O)c2ccccc2)CC1 1384063 DQXNDMAIVMGTBU-KGENOOAVSA-N 405.907 2.891 50 40 HFGB COc1cc(C(=O)NNc2nc3cc4c(cc3s2)OCO4)cc(OC)c1OC 4121506 ZYHRZFGKGMNSFL-UHFFFAOYSA-N 403.416 2.808 50 40 HFGB N[C@H](CSSC[C@H](N)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 13430932 XBFIAGBFSOUBNT-HDICACEKSA-N 420.556 2.509 50 40 HFGB COC(=O)COc1cccc(/C=N/NC(=O)CSCc2ccc([N+](=O)[O-])cc2)c1 59472876 RUFCYEPJVPVBDU-KEBDBYFISA-N 417.443 2.530 50 40 HFGB COc1ccc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1 408871069 VUASHJPHCILKCU-KOMLCTQHSA-N 421.906 2.652 50 40 HFGB C[C@]1(C(=O)NNC(=O)[C@@H]2C[C@@H]2c2ccccc2)CC1(Br)Br 2317306 BICHOTDPOQHVQT-JTNHKYCSSA-N 416.113 2.834 50 40 HFGB COc1cc(/C=N/NC(=O)c2ccoc2C)cc(I)c1OC 4150796 UDKBMMSJCHPECJ-CAOOACKPSA-N 414.199 2.974 50 40 HFGB Cc1onc(-c2ccccc2Cl)c1C(=O)OCC(=O)NNC(=O)c1cccs1 8880397 WKVALNCCZZVTRW-UHFFFAOYSA-N 419.846 2.983 50 40 HFGB Cc1cccc(N(CC(=O)N/N=C/c2ccccc2C(F)(F)F)S(C)(=O)=O)c1 20207653 YFAXOVWKWWQQRR-SSDVNMTOSA-N 413.421 2.930 50 40 HFGB Cc1ccc(NC(=O)CCC(=O)NNS(=O)(=O)c2ccc(Cl)cc2)cc1C 2134322 PEFWZNIRYOGMCV-UHFFFAOYSA-N 409.895 2.685 50 40 HFGB O=C(Cc1ccccc1)NN1C(=O)[C@H](Cl)[C@H]1c1cc(Br)ccc1O 5838513 KLEYOPKIZRULRG-HZPDHXFCSA-N 409.667 2.919 50 40 HFGB COc1ccc(N([C@H](C)C(=O)N/N=C(\C)c2ccc(C)cc2)S(C)(=O)=O)cc1 19953699 NUZXEXSKIBIYRG-GXPOEHQZSA-N 403.504 2.699 50 40 HFGB C/C(CC(=O)NC1C2CC3CC(C2)CC1C3)=N\NC(=O)Cc1ccc([N+](=O)[O-])cc1 100059551 IPKZNPYEKZZGMU-ZMOGYAJESA-N 412.490 2.960 50 40 HFGB C[C@]1(C(=O)NNC(=O)[C@H]2C[C@H]2c2ccccc2)CC1(Br)Br 102669206 BICHOTDPOQHVQT-COPLHBTASA-N 416.113 2.834 50 40 HFGB CCOc1ccc(C(=O)NNC(=O)COc2ccc(C(=O)CC)cc2)cc1OC 12692726 ODNHVOXOGNPOCK-UHFFFAOYSA-N 400.431 2.527 50 40 HFGB COc1ccc(C(=O)N/N=C/c2ccc(CNS(=O)(=O)c3ccccc3)o2)cc1 408783905 PAKJPDCHDBEQSN-FYJGNVAPSA-N 413.455 2.531 50 40 HFGB COc1cc(/C=N/NC(=O)C(=O)/C=C2\NC3(CCCC3)Cc3ccccc32)ccc1O 5500184 JSRQDFMQHGITGG-YGZUZDPMSA-N 419.481 2.920 50 40 HFGB Cc1cc(OCc2ccc(C(=O)NNC(=O)c3ccc[nH]c3=O)cc2)ccc1Cl 12781892 ZJMUXPIVNVFXEL-UHFFFAOYSA-N 411.845 2.991 50 40 HFGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 20208708 HKYREWYKEKRVMH-HYARGMPZSA-N 415.515 2.785 50 40 HFGB COCCn1c(C)cc2c(c1=O)[C@@H](c1cccc(Br)c1)C(C#N)=C(N)O2 2327862 NUIZXXORFWSXNV-INIZCTEOSA-N 416.275 2.784 50 40 HFGB O=C(COc1cccc(Br)c1)NNC(=O)CSCc1ccccc1 2617762 DLUMBFQXPARIAD-UHFFFAOYSA-N 409.305 2.909 50 40 HFGB CCCNC(=O)N(NC(=O)c1ccc(OC)cc1)c1nc(C(=O)OCC)cs1 3768069 XOMWSFAPDBAIGD-UHFFFAOYSA-N 406.464 2.599 50 40 HFGB COc1cc(OC)c([N+](=O)[O-])cc1/C=C(/C#N)C(=O)N1CCN(c2ccccc2)CC1 408778977 NWHLGBDNXOHGGG-ATVHPVEESA-N 422.441 2.868 50 40 HFGB O=C(NNC(=O)c1cccc(NC(=O)c2ccccc2)c1)c1ccc([N+](=O)[O-])cc1 409224597 LGYBIFUCQLATTL-UHFFFAOYSA-N 404.382 2.922 50 40 HFGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1c(C)cccc1C 409257253 RSUVMCRVJPEUOL-PDERCVKFSA-N 424.501 2.686 50 40 HFGB COc1cc(CC(=O)NNC(=O)[C@@H](C)Oc2cccc(Br)c2)ccc1C 12973653 ZQAMIBDYFLCRCD-CYBMUJFWSA-N 421.291 2.924 50 40 HFGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3cccnc3)cc2)cc1 28214926 KSSFLYKCVKGJMH-ZMOGYAJESA-N 404.426 2.872 50 40 HFGB N#C/C(=C\c1cc(Br)c(O)c(Br)c1)C(=O)N1CCOCC1 408760097 RMVOVLMAZQCTTL-BJMVGYQFSA-N 416.069 2.683 50 40 HFGB O=C(N/N=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccc(N2CCCC2)cc1 7385953 WMMKCQWMWVQRIT-XQNSMLJCSA-N 423.473 2.796 50 40 HFGB CCOc1ccc(C(=O)NNC(=O)c2ccccc2OC[C@H]2CCCO2)cc1OC 12755885 NLYVJWCCIMRYAQ-MRXNPFEDSA-N 414.458 2.727 50 40 HFGB O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C\c1cc(Br)ccc1O 36077399 RZNDQMXETGHABE-ZBKNUEDVSA-N 410.655 2.688 50 40 HFGB Cn1cccc1CC(=O)N/N=C\c1cc(O)c(Br)cc1Br 71335826 DJKKYESCZCAKSD-IUXPMGMMSA-N 415.085 2.949 50 40 HFGB Cc1cc(N2CCOCC2)ccc1/C=N/NC(=O)COc1cccc2cccnc12 409069624 LZJYFBOFEXACNG-MFKUBSTISA-N 404.470 2.909 50 40 HFGB COc1ccc(C[C@H]2S/C(=C(/C#N)C(N)=O)N(c3cccc(OC)c3)C2=O)cc1 2395825 WLSMSXZBSVGWFK-QUWSGOTNSA-N 409.467 2.615 50 40 HFGB C/C(=N\NC(=O)Cc1csc(N2CCOCC2)n1)c1ccc(OC(F)F)cc1 4964875 JEBPSLDTHIVTCJ-WSDLNYQXSA-N 410.446 2.664 50 40 HFGB C[C@@H]1CCc2sc(C(=O)NNC(=O)N(C)C[C@@H]3COc4ccccc4O3)cc2C1 9532439 RNHIWKNTZRUHDK-UKRRQHHQSA-N 415.515 2.999 50 40 HFGB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(O)c1 16479470 LWEBEANHZQOJEJ-HZHRSRAPSA-N 423.494 2.733 50 40 HFGB COc1ccc(N2C(=O)/C(=C\NNC(=O)C(C)C)c3ccccc3C2=O)cc1OC 23716639 LVMXYASNCATZGJ-ATVHPVEESA-N 409.442 2.509 50 40 HFGB CC1=C(C(=O)OCc2ccccc2)[C@]2(C(=O)N1C)C(C#N)=C(N)Oc1ccccc12 4517077 UWDYHYNLKPXNLY-HSZRJFAPSA-N 401.422 2.500 50 40 HFGB CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(F)c(Br)c3)[C@H]2C1 102566463 NWFFSTCEUOZPMC-WMLDXEAASA-N 412.266 2.943 50 40 HFGB O=C(Cc1ccc(Cl)cc1)N/N=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 408592481 YNEBKKRAPLNNGC-FYJGNVAPSA-N 402.838 2.778 50 40 HFGB O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 5788048 XYFOEEKENAYWBJ-LOXVZWDBSA-N 409.530 2.789 50 40 HFGB CC(C)c1ccccc1OCC(=O)NNC(=O)CCC(=O)OCCc1ccccc1 12137177 IQURFPQEJMCFOZ-UHFFFAOYSA-N 412.486 2.902 50 40 HFGB NC(=O)Cn1cc(/C=N\NC(=O)Cc2cccc(C(F)(F)F)c2)c2ccccc21 34887764 QWLDAGHVXDICMA-MRUKODCESA-N 402.376 2.838 50 40 HFGB O=C(N/N=C/c1cccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1)c1ccco1 408755082 TXDYHVWMIQCMNS-XDHOZWIPSA-N 415.383 2.719 50 40 HFGB O=C(NNc1ncc(C(F)(F)F)cc1Cl)NS(=O)(=O)c1cccc(F)c1 1418769 IBLOOGHSBGPOGE-UHFFFAOYSA-N 412.752 2.908 50 40 HFGB COc1ccc(NCC(=O)N/N=C/c2cc(Br)c(O)c(OC)c2)cc1 5586514 YDZJJMBGKFLFDS-AWQFTUOYSA-N 408.252 2.734 50 40 HFGB COc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C/c3ccncc3)c2)cc1 6292376 NPXMFLHHGBATGG-HYARGMPZSA-N 410.455 2.655 50 40 HFGB Cc1ccccc1N(CC(=O)N/N=C/c1cccc(Br)c1)S(C)(=O)=O 19954683 VRBYQFNCIOAWBQ-YBFXNURJSA-N 424.320 2.674 50 40 HFGB Cc1nc2ccc(Br)cn2c1C(=O)N/N=C\c1ccc2c(c1)OCO2 28617529 UXUQTVSVFGTLLT-GXHLCREISA-N 401.220 2.898 50 40 HFGB COc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)c2ccccn2)cc1 32109717 VJRSQQROOPTJHQ-OYKKKHCWSA-N 404.426 2.872 50 40 HFGB Cc1cc(C)nc(NNC(=O)Cc2c(C)nn(-c3ccc(C(F)(F)F)cn3)c2C)n1 40145257 RLJSNROMBZHACX-UHFFFAOYSA-N 419.411 2.996 50 40 HFGB Cc1cc2c(c(=O)n1Cc1ccc3c(c1)OCO3)[C@@H](c1ccco1)C(C#N)=C(N)O2 2247700 GFHMRZHUBJWTJR-LJQANCHMSA-N 403.394 2.745 50 40 HFGB N#CC1=C(S)NC(=O)[C@H]([n+]2ccccc2)[C@@H]1c1ccc(F)c(Br)c1 3659032 NTGCZZBUBZTSQP-HUUCEWRRSA-O 405.272 2.995 50 40 HFGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccc(C(C)(C)C)cc2)cc1 6313506 AITWLMKJRFQYHG-HYARGMPZSA-N 417.531 2.764 50 40 HFGB COc1ccc(/C=N/NC(=O)c2cc[nH]n2)cc1COc1ccc([N+](=O)[O-])c(C)c1 15987643 BUIADJDKUDXWKZ-SSDVNMTOSA-N 409.402 2.978 50 40 HFGB COCCNC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C 58911614 AKKWXWKDLCXPHM-LSHDLFTRSA-N 411.289 2.614 50 40 HFGB CN1/C(=C(\C#N)C(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)Sc2ccccc21 103394143 DHVWMDHKQJHIAD-ZHZULCJRSA-N 420.406 2.737 50 40 HFGB COc1ccc(C(=O)Oc2ccccc2/C=C/C(=O)NNC(=O)c2ccco2)cc1 409037047 SEZPINZIUUUIBK-JLHYYAGUSA-N 406.394 2.982 50 40 HFGB C=CCNC(=O)/C(C#N)=C/c1c(Oc2ccccc2OC)nc2ccccn2c1=O 4205522 OASBDHCRRXHKLF-FYWRMAATSA-N 402.410 2.705 50 40 HFGB C=CCOc1cccc(/C=N/NC(=O)CNS(=O)(=O)c2c(C)cc(C)cc2C)c1 6607366 GTTPMPAIGOXNLP-LPYMAVHISA-N 415.515 2.605 50 40 HFGB COC(=O)c1cccc(Cn2c(Cl)c(/C=N/NC(=O)c3ccco3)sc2=O)c1 9076088 QLEFMXZGLKIQHE-AWQFTUOYSA-N 419.846 2.755 50 40 HFGB N#C/C(=C\c1ccc(Sc2nnnn2-c2ccccc2)o1)C(=O)NC[C@@H]1CCCO1 34714638 SPPXVZMWBGFGHK-WKOYGUFESA-N 422.470 2.609 50 40 HFGB O=C(Cl)[C@H]1CC(=O)N(c2ccccc2N2CCN(C(=O)c3ccccc3)CC2)C1 57354577 DIGFVWVLZSOHGH-KRWDZBQOSA-N 411.889 2.767 50 40 HFGB COCCCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1 111500172 LQFSXSIXBMYWRI-YDZHTSKRSA-N 403.866 2.522 50 40 HFGB Cc1ccnc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)c1 245230482 SMKAHUWIHPYMHD-PIQGMWHKSA-N 414.097 2.672 50 40 HFGB Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N/N=C/c2c[nH]c3ccccc23)C(C)C)cc1 408756176 OASJJEMXMUDZIP-VMHRPQTGSA-N 412.515 2.930 50 40 HFGB COc1ccc(/C(C)=N/NC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)cc1 408773252 JONGDDPYLDPZKR-LTGZKZEYSA-N 403.504 2.618 50 40 HFGB Cc1ccc(C(=O)Nc2nnc(CC(=O)N/N=C/c3ccc(N(C)C)cc3)s2)cc1 1512738 DQRIQSJBRVGOJX-LPYMAVHISA-N 422.514 2.858 50 40 HFGB Cc1ccc(C(=O)NNC(=O)[C@H]2Cc3ccccc3CN2C(=O)c2ccco2)cc1 2639412 DMGTXZSTJATSAM-LJQANCHMSA-N 403.438 2.616 50 40 HFGB CCn1c(=O)c(/C=C(/C#N)C(=O)N/N=C/c2ccc(OC)cc2)c(O)c2ccccc21 16162807 SDHSSHMSOTVKJC-IJAYVWAESA-N 416.437 2.793 50 40 HFGB CC(C)Oc1ccc(C(=O)NNC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)cc1 40142937 RWBYVJOJWUPQOS-UHFFFAOYSA-N 404.488 2.731 50 40 HFGB CC(C)NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(C(C)C)cc2)cc1 58880925 DYUZKZKBEPWLET-ZMOGYAJESA-N 424.501 2.802 50 40 HFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1)c1ccc(Cl)c(Cl)c1 408925283 OJFUUQAJONYFDL-VXLYETTFSA-N 400.287 2.910 50 40 HFGB COc1ccc(NC(=O)/C(C#N)=C/c2cc([N+](=O)[O-])ccc2N2CCN(C)CC2)cc1 409005874 GEHQDHMRNIXRMU-GHRIWEEISA-N 421.457 2.901 50 40 HFGB Cc1ccc(OCC(=O)NNC(=O)COc2ccc(Br)c(C)c2)cc1 5929129 WZCGTHLMKQMQCU-UHFFFAOYSA-N 407.264 2.671 50 40 HFGB COc1ccccc1N(CC(=O)NN=C1CCCC1)S(=O)(=O)c1ccccc1 19949963 ZACRNTOGKYZTKP-UHFFFAOYSA-N 401.488 2.937 50 40 HFGB CC1=C(C)[C@@H](NNC(=O)c2ccc([N+](=O)[O-])c(C)c2)N(Cc2ccc(F)cc2)C1=O 199418110 YFLPPIUNHPQWRT-IBGZPJMESA-N 412.421 2.982 50 40 HFGB CCCCNC(=O)C(=O)N/N=C/c1cccc(OC)c1OCc1ccc(F)cc1 408612223 UORUPRPZWXWZCK-ZMOGYAJESA-N 401.438 2.780 50 40 HFGB COCCNC(=O)/C(C#N)=C1\N=C(NC(=O)c2ccccc2Cl)c2ccccc21 5244165 XHZQUZPWWBYZLK-VLGSPTGOSA-N 408.845 2.527 50 40 HFGB Cc1ccc(NC(=O)CCC(=O)NNC(=O)COc2ccc(Cl)cc2)c(C)c1 6189685 SGIXGNKEYKZUSM-UHFFFAOYSA-N 403.866 2.902 50 40 HFGB CCOC(=O)c1ccccc1OCc1cc(/C=N/NC(=O)c2cc[nH]n2)ccc1OC 9763694 MJQSETSFYCCRPP-ZMOGYAJESA-N 422.441 2.938 50 40 HFGB O=C(COc1ccccc1Cc1ccccc1)NNC(=O)c1ccc2[nH]cnc2c1 12602934 PHMDTFSKLLGWDY-UHFFFAOYSA-N 400.438 2.994 50 40 HFGB C[C@@H]1N[C@]2(C(=O)N(CCCCl)c3ccccc32)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12 100178047 FOTDVXWAZNZAMW-ASLVLFSISA-N 423.900 2.655 50 40 HFGB CCOc1cc(/C=N\NC(=O)COc2cccc3cccnc23)ccc1OCC(=O)O 409023095 DFSXZBAUVLGOHJ-MSXFZWOLSA-N 423.425 2.626 50 40 HFGB O=C(/C=C/c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1)NNC(=O)c1ccco1 409041677 BBBOQTAQSYCYNV-FMIVXFBMSA-N 421.365 2.881 50 40 HFGB Cc1c(Cl)ccc(OCC(=O)NNC(=O)CCC(=O)NCc2ccccc2)c1C 1926740 IQYQTGMSRUCMSB-UHFFFAOYSA-N 417.893 2.580 50 40 HFGB C=CCn1c(COc2ccccc2)nnc1SCC(=O)N/N=C/c1cccc(C)n1 2742697 KFOZOYIZNBNQLF-LPYMAVHISA-N 422.514 2.989 50 40 HFGB CN(C)S(=O)(=O)c1cccc(C(=O)NNc2ccnc3cc(Cl)ccc23)c1 8191180 VYPHYGLQYMLLDW-UHFFFAOYSA-N 404.879 2.895 50 40 HFGB C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)N/N=C/c4ccccc4O)c(=O)c23)C1 11990279 ZUQDELBMIPXOOG-MJUGJEPYSA-N 410.499 3.000 50 40 HFGB C[C@H](Oc1ccc(/C=N\NC(=O)COc2cccc(Br)c2)cc1)C(=O)O 408844135 HCBSWXCVZCBGJB-XGTDKWECSA-N 421.247 2.830 50 40 HFGB O=C(Nc1ccccc1)Nc1snnc1C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 3093158 JENQJJOJXZRLHK-VCHYOVAHSA-N 411.403 2.854 50 40 HFGB O=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)NN=C1CCCC1 19950963 ZKFFFVVXHBTAPT-UHFFFAOYSA-N 416.459 2.836 50 40 HFGB O=C(N/N=C/c1cccc(OC2CSC2)c1)c1ccc(CN2CCOCC2)cc1 23382822 GPYBGKZIIZZEJQ-YDZHTSKRSA-N 411.527 2.777 50 40 HFGB Nc1nonc1-c1nc2ccccc2n1CC(=O)N/N=C/c1c(F)cccc1Cl 408721561 TVEYIHQFZIDHEV-GZIVZEMBSA-N 413.800 2.611 50 40 HFGB COCCCNC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(C)c(Cl)c2)c1C 408970217 CVLDKALNGZICLW-FSJBWODESA-N 404.898 2.659 50 40 HFGB O=C(N/N=C/c1cccc(F)c1)c1c(O)c2cc(Br)ccc2[nH]c1=O 5446480 HYYAZAABXWICHO-DNTJNYDQSA-N 404.195 2.899 50 40 HFGB COc1ccc(OC)c(/C=N/NC(=O)C(=O)Nc2cccc(Br)c2)c1 5513056 WZLWWLQJWQMCCX-VXLYETTFSA-N 406.236 2.555 50 40 HFGB Cc1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)n1 101169991 BFBQOWQCOPVYPS-DZRDUMEESA-N 414.097 2.672 50 40 HFGB Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NCc3ccco3)c(N3CCCCC3)nc12 2204015 UNSHPPDTJPGDFK-GHRIWEEISA-N 417.469 2.810 50 40 HFGB Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N/N=C/c2ccc(N(C)C)cc2)C(C)C)cc1 408764234 QUPCHZZKWRZDPT-YRXLECQKSA-N 416.547 2.514 50 40 HFGB COc1ccc(C(=O)NNc2ncnc3c2cnn3-c2ccc(C)cc2)cc1OC 1305336 VXEIFRXBSCWVCY-UHFFFAOYSA-N 404.430 2.898 50 40 HFGB COc1ccc(CC(=O)N/N=C2/C(=O)N(CN3CCCCC3)c3ccccc32)cc1 2365783 ZHQOTTVDAICRHD-YYDJUVGSSA-N 406.486 2.548 50 40 HFGB O=C(NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)c1cccc(F)c1 3455079 ZGXDBTJJAOTGPQ-UHFFFAOYSA-N 416.412 2.659 50 40 HFGB Cc1cccc(NCC(=O)N/N=C2/C(=O)N(C)c3ccc(Br)cc32)c1 5705376 RKPNAKLLGJSVQK-OQKWZONESA-N 401.264 2.666 50 40 HFGB C#CCOc1ccccc1/C=C(\C#N)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 6930858 FUIQWTZEMCSJAY-XNTDXEJSSA-N 405.366 2.924 50 40 HFGB CCCCCCC(=O)Nc1nnc(CC(=O)N/N=C/c2ccc3c(c2)OCO3)s1 408731503 NBBPSWUYEYXNOI-RGVLZGJSSA-N 417.491 2.869 50 40 HFGB COCCCNC(=O)/C(C#N)=C1\N=C(NC(=O)c2cccc(Cl)c2)c2ccccc21 10233007 AVCJNRLDVYVYMP-HNENSFHCSA-N 422.872 2.918 50 40 HFGB CCOc1ccc(C(=O)NNC(=O)c2cc(Br)c(Cl)[nH]2)cc1OC 40119782 HFVRRCMUJCVJTA-UHFFFAOYSA-N 416.659 2.913 50 40 HFGB CCOc1cc(/C=N/NC(=O)CC2(C)OCCCO2)cc(Br)c1O 59426573 MCCLPVMPNUUPAW-VCHYOVAHSA-N 401.257 2.547 50 40 HFGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc3c(c2)n(C)c(=O)n3C)cc1 408885135 XUOTWNIVCPBRQN-LFIBNONCSA-N 404.426 2.599 50 40 HFGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cccc(C)c1C 409266545 ZUHRFEHBKSTBAS-CBFMJHRQSA-N 424.501 2.686 50 40 HFGB O=C1[C@@H]2[C@@H]3C[C@H]([C@@H]2C(=O)N1c1cccc(O)c1)[C@@H](Br)[C@@H]3Br 2066699 LIAJPCACUBPKDT-KISRQWFGSA-N 415.081 2.675 50 40 HFGB CC(=O)N1CCC2(CC1)C(C#N)=C(N)Oc1n[nH]c(CSc3ccc(C)cc3)c12 4631502 GBUNWVBMRVHEFE-UHFFFAOYSA-N 409.515 2.977 50 40 HFGB N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@@]12C(=O)N1CCCc3cccc2c31 8559973 NYEPGUCRMWGGGZ-SHACYNPGSA-N 413.433 2.935 50 40 HFGB CCc1ccc2c(c1)c1nnc(SCC(=O)NNC(=O)c3ccccc3)nc1n2C 35312654 GDIZLVUSAZSMHZ-UHFFFAOYSA-N 420.498 2.632 50 40 HFGB COc1ccc(OCC(=O)N/N=C\c2cc([N+](=O)[O-])cc(Br)c2O)cc1 409074929 OLWPOHMGZLAPES-LSCVHKIXSA-N 424.207 2.601 50 40 HFGB CCn1c(C)nc2cc(C(=O)NNC(=O)c3ccc(N4CCCC4=O)cc3)ccc21 2662522 PWCIDNUXNXYYKW-UHFFFAOYSA-N 405.458 2.566 50 40 HFGB O=C(CCCC(=O)OCC(=O)c1cccs1)NNC(=O)c1ccccc1Cl 2728885 XTEJGZYYYSUGPB-UHFFFAOYSA-N 408.863 2.759 50 40 HFGB O=C(Cc1ccc(Br)cc1)N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2 4735284 NIPVQUMONSBKEJ-QGMBQPNBSA-N 406.192 2.779 50 40 HFGB CNC(=O)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1 408612218 UOLCYSBYRRNRPO-ZVBGSRNCSA-N 424.682 2.878 50 40 HFGB CCNC(=O)C(=O)N/N=C/c1cccc(OC)c1OCc1c(F)cccc1Cl 408612958 XSQVQXUYXADGNE-AUEPDCJTSA-N 407.829 2.653 50 40 HFGB CCc1ccccc1N(CC(=O)N/N=C/c1cccnc1)S(=O)(=O)c1ccccc1 408828108 LCRNCPXSDZXMPT-LFVJCYFKSA-N 422.510 2.990 50 40 HFGB COc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)O)c(OC)c2)cc1OC 409321881 VHZPBQYYWUSPFW-NKVSQWTQSA-N 422.821 2.593 50 40 HFGB CCOc1ccccc1/C=N/NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 6539530 PRQWBAMVVVCBQO-CJLVFECKSA-N 415.515 2.636 50 40 HFGB Cc1nc2ccccn2c1C(=O)N/N=C/c1cc2c(cc1Br)OCO2 7041314 IFMLORGEIMZTDE-UFWORHAWSA-N 401.220 2.898 50 40 HFGB COc1ccc(/C=N/NC(=O)CCNC(=O)c2ccccc2Br)cc1 2675848 CAVAVYGRXMRVHN-CIAFOILYSA-N 404.264 2.728 50 40 HFGB C[C@@]1(C(=O)NNC(=S)Nc2ccccc2)CC1(Br)Br 5394107 ZVNRUYKHBHUUMI-NSHDSACASA-N 407.131 2.900 50 40 HFGB Cc1ccc(-c2nnc(SCC(=O)C(C#N)=C3Nc4ccccc4N3)n2N)cc1 6536536 RQWSVKZXGNTLJP-UHFFFAOYSA-N 403.471 2.901 50 40 HFGB COc1ccc(Br)cc1/C=N\NC(=O)CNC(=O)c1ccc(Cl)cc1 34880530 MUJJOMYWUBVIOM-NKVSQWTQSA-N 424.682 2.991 50 40 HFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1)c1cc(Cl)ccc1Cl 409027192 BUOTXTBTNAOCAX-VXLYETTFSA-N 400.287 2.910 50 40 HFGB COc1ccccc1/C=N\NC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)c(C#N)c1C 409068077 KDIJDDXXTLWXQY-MSXFZWOLSA-N 421.844 2.839 50 40 HFGB CCOC(=O)N1CC=C2[C@H](C1)[C@H](c1ccc(OC)cc1)C(C#N)=C(N)C2(C#N)C#N 664256 CHZKRPLYBPFOJZ-PKOBYXMFSA-N 403.442 2.577 50 40 HFGB COc1cc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc(OC)c1OC 852259 GOQPLGTZRMHNIE-PDYUXYPTSA-N 411.458 2.524 50 40 HFGB biogenic,in-vitro CCOC(=O)[C@H]1CC[C@@H](CCBr)N1S(=O)(=O)c1ccc(C)cc1 988688 FAYULWLMCUHXBM-DZGCQCFKSA-N 404.326 2.865 50 40 HFGB COc1ccc(/C=N/NC(=O)CNc2ccc(I)cc2)cc1 1051649 MQNYMGGHQOYFEL-VXLYETTFSA-N 409.227 2.862 50 40 HFGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccccc1I 3152088 RUIIDEYMTJSGPA-LZYBPNLTSA-N 411.155 2.669 50 40 HFGB COCCCNC(=O)/C(C#N)=C/c1nc(N(C)C)n(-c2ccc(C)cc2)c1Cl 12522569 YXYDQKVTMBQNMV-NTCAYCPXSA-N 401.898 2.960 50 40 HFGB CCCn1nc(C(=O)NNC(=O)c2cc3cc(C)ccc3[nH]2)c2ccccc2c1=O 32753142 NJVMSQQEYCRLNL-UHFFFAOYSA-N 403.442 2.671 50 40 HFGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cc([N+](=O)[O-])cc(Br)c1O 106493471 XPWWMBXLLHYOJV-IUXPMGMMSA-N 423.179 2.664 50 40 HFGB O=C(CNC(=O)C(c1ccccc1)c1ccccc1)N/N=C/c1cccc([N+](=O)[O-])c1 3144815 KXFMRAGOKHMBKD-MFKUBSTISA-N 416.437 2.993 50 40 HFGB O=C(CSc1nnc(-c2ccc(Cl)cc2)[nH]1)NNC(=O)Cc1ccccc1 7604747 MBOVCBAPMZBLEF-UHFFFAOYSA-N 401.879 2.607 50 40 HFGB Cc1n[nH]c2c1[C@@H](c1cn(CC(=O)N3CCCC3)c3ccccc13)C(C#N)=C(N)O2 9296404 YLYHFQAGUIUBJG-HXUWFJFHSA-N 402.458 2.513 50 40 HFGB C=C1C(=O)O[C@@H]2C=C(COC(C)=O)CCC=C(C=O)C[C@H](OC(=O)[C@@H](C)CC)[C@@H]12 958318574 ALJXWCROGAMOBL-YGHPHNMRSA-N 404.459 2.841 50 40 HFGB biogenic,in-vitro O=C(CCN1CCN(c2ccccc2)CC1)NNC(=S)Nc1ccccc1Cl 5691403 XSNMXFJSKXJVSP-UHFFFAOYSA-N 417.966 2.870 50 40 HFGB CCCCCCC(=O)NN/C(CC)=C1\C(=O)NC(=O)N(c2ccccc2C)C1=O 9359093 OLEXAWVHXVOOKM-OBGWFSINSA-N 400.479 2.833 50 40 HFGB O=C(NNC(=O)C1CCN(C(=O)c2ccco2)CC1)c1cc(Cl)ccc1Cl 15518565 XIKWRTZHTIKIBG-UHFFFAOYSA-N 410.257 2.900 50 40 HFGB O=C(CN1CCN(Cc2ccccc2)CC1)N/N=C\c1cccc(Br)c1 32576926 FZAMFKKVQSNMQD-HMAPJEAMSA-N 415.335 2.717 50 40 HFGB O=C(O)COc1ccc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1 33351040 FIEOYOITLTVWPQ-IWIPYMOSSA-N 404.422 2.536 50 40 HFGB Nc1ccccc1N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O 100940155 MBKHUNRVMPCQNA-JXUBOQSCSA-N 402.086 2.695 50 40 HFGB COc1ccccc1OCC(=O)N/N=C\c1ccccc1I 408551962 PTLHNXAAPLIGDD-ZDLGFXPLSA-N 410.211 2.829 50 40 HFGB COc1ccc(/C=N/NC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 719440 ZQAWQDPKHUAWLD-YCYNJWQJSA-N 410.499 2.742 50 40 HFGB COC(=O)COc1ccc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1 873321 RFXFCGXHAFWAEZ-LDADJPATSA-N 403.438 2.986 50 40 HFGB CCCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(CC)cc1 6647945 XHADPSJCJJVRJF-MFKUBSTISA-N 424.501 2.633 50 40 HFGB COc1cccc(N(CC(=O)N/N=C/c2ccc(C)c(C)c2C)S(C)(=O)=O)c1 20210154 RGGIRLCMABGBFO-CIAFOILYSA-N 403.504 2.537 50 40 HFGB CCCCCC(=O)Nc1nnc(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)s1 408730247 GFFURWGWFIJIMU-WOJGMQOQSA-N 404.452 2.658 50 40 HFGB CCOc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccccc2F)S(C)(=O)=O)cc1 408908233 WDWMJVHOWPLCTB-HADWXUJASA-N 407.467 2.529 50 40 HFGB Cc1cc2c(c(=O)o1)[C@H](c1cccc(I)c1)C(C#N)=C(N)O2 915333 ZRMDWEVTUWCCLS-CYBMUJFWSA-N 406.179 2.771 50 40 HFGB O=C(CCCSc1nc2ccccc2[nH]1)NNC(=O)COc1ccccc1F 6315920 YLXNIGCFFOSJKB-UHFFFAOYSA-N 402.451 2.801 50 40 HFGB COc1cc(Br)c(CC(=O)NNC(=O)c2ccc(F)cc2)cc1OC 6936894 UPOBQMLHCKYIST-UHFFFAOYSA-N 411.227 2.609 50 40 HFGB COc1cc(/C=N\NC(=O)c2ccc(-c3ccccc3)cc2)ccc1OCC(N)=O 102365560 DHBHREXEVRULFF-QFEZKATASA-N 403.438 2.990 50 40 HFGB COCCNC(=O)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl 408601545 BIWLZPFHLJYJOK-FOKLQQMPSA-N 424.284 2.785 50 40 HFGB CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCC)c(OC)c1 408907837 PCCSDJZTHROIOY-MMTNMYCKSA-N 413.474 2.901 50 40 HFGB O=C(CSc1nnnn1-c1ccc(Cl)cc1)N/N=C/c1cc(Cl)ccc1O 2185537 MMQDVFXPOJFRDC-UFWORHAWSA-N 423.285 2.917 50 40 HFGB COc1cc(/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])cc(Br)c1O 3024090 RZHDXTVCOWBWBR-QGMBQPNBSA-N 424.207 2.601 50 40 HFGB CCOC(=O)COc1ccc(/C=N/NC(=O)[C@H](C)Oc2ccccc2)cc1OC 4691564 CPWLTEZDPFJJEF-NSMHLIOHSA-N 400.431 2.555 50 40 HFGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccc(C(C)(C)C)cc2)cc1OC 5383833 ZEOULVBJGQDGRP-MFKUBSTISA-N 411.502 2.810 50 40 HFGB COc1ccc(Br)c(C(=O)NNC(=O)c2cc(-c3ccccc3)n[nH]2)c1 12816031 DXMSDVCCQJBKLC-UHFFFAOYSA-N 415.247 2.923 50 40 HFGB O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)c1ccccc1 3358936 FFONUTVMHVRIEP-UHFFFAOYSA-N 421.478 2.513 50 40 HFGB C[C@@H]1C(C#N)=C(SCC(=O)Nc2ccc(Br)cc2)NC(=O)[C@@H]1C#N 8973518 YWVULHSUJRJAKQ-JOYOIKCWSA-N 405.277 2.762 50 40 HFGB CC/C(=N\NC(=O)c1cccc(OC)c1)c1ccc(OCCN2CCOCC2)cc1 20551580 WPQZAQWAQMLYGA-ZNTNEXAZSA-N 411.502 2.950 50 40 HFGB O=C(Cl)c1cc(I)cc(I)c1O 22010242 ODXPJUJPWFDXOR-UHFFFAOYSA-N 408.360 2.980 50 40 HFGB CCc1sc(C(=O)NNC(=O)CN2CCN(c3cccc(Cl)c3)CC2)cc1C 32912534 MUNUPOZGJGLVIE-UHFFFAOYSA-N 420.966 2.856 50 40 HFGB O=C1[C@@H]2[C@@H]3C[C@H]([C@@H]2C(=O)N1c1ccccc1O)[C@@H](Br)[C@@H]3Br 100751572 MTFVELSRMDRANT-ACJJXGBOSA-N 415.081 2.675 50 40 HFGB O=C(N/N=C1\C(=O)N([C@H]2OC(=O)c3ccccc32)c2ccccc21)c1ccc(O)cc1 101283341 VWFRUAHSIGSBAH-JPVAHNOFSA-N 413.389 2.742 50 40 HFGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)ccc1OCC(=O)O 408798574 VUHPWLCGJYYCTE-MHWRWJLKSA-N 424.409 2.881 50 40 HFGB C=CCOc1ccc(/C=N/NC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)cc1 408906340 GKORJFBIJJLQGS-HYARGMPZSA-N 415.515 2.785 50 40 HFGB COc1ccc(OC)c(/C=C/C(=O)NNC(=O)c2ccc(Br)cc2)c1 3296522 UXIMWNARQOIOAB-BJMVGYQFSA-N 405.248 2.941 50 40 HFGB CCOc1ccccc1N1C[C@H](C(=O)NNC(=O)c2ccccc2Cl)CC1=O 5703789 KEYMWOJKQIXKAX-CYBMUJFWSA-N 401.850 2.553 50 40 HFGB C/C(=N\NC(=O)c1ccncc1)c1ccc(/C(C)=N/NC(=O)c2ccncc2)cc1 10037833 SCJIABNFWHHULE-RYQLWAFASA-N 400.442 2.785 50 40 HFGB CC(=O)Nc1cccc(C(=O)N/N=C/c2cc([N+](=O)[O-])cc(Br)c2O)c1 38188996 FWVADLFWGDCQCU-QGMBQPNBSA-N 421.207 2.785 50 40 HFGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(C)cc2C)c1 409259606 BHMYDIHEEAJMBO-ZRWQFTNJSA-N 424.501 2.686 50 40 HFGB CCOc1ccc([C@H]2[C@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OCC 658726 KFWYOMRYYBKSQR-RXVVDRJESA-N 403.486 2.839 50 40 HFGB COc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccc(Cl)cc2)S(C)(=O)=O)cc1 19953582 HTFXFCOCYNAGNG-DZUMZMOTSA-N 409.895 2.653 50 40 HFGB CO[C@H](C(=O)N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1)c1ccccc1 408720322 YVVQLBUGLYMFJC-OLCUMFGGSA-N 409.486 2.916 50 40 HFGB C#CCOc1ccc(Br)cc1/C=N/NC(=O)COc1ccc(OC)cc1 2081041 FSBWOBREYKOADO-CIAFOILYSA-N 417.259 2.999 50 40 HFGB CCCCCCC(=O)NN/C=C1\C(=O)NC(=O)N(c2cccc3ccccc23)C1=O 5025802 BVBKMWVQVQCSCW-SAPNQHFASA-N 408.458 2.898 50 40 HFGB N#CCCCN1C(=O)/C(=N\NC(=O)c2cncc(Br)c2)c2ccccc21 6231320 PHVPLHBOBCPHIK-JWGURIENSA-N 412.247 2.629 50 40 HFGB Cc1c(C(=O)NNC(=O)CCCNC(=O)c2ccc(F)cc2F)oc2ccccc12 10124781 YNLYELMRBFKUSL-UHFFFAOYSA-N 415.396 2.991 50 40 HFGB Cc1cccc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)c1 20060521 MQACBFFDNSLAGF-YBFXNURJSA-N 424.320 2.674 50 40 HFGB O=C1[C@H]2[C@H](C(=O)N1Cc1ccco1)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br 102630467 NDWRDJDVZZCFMK-ZKSVUJDCSA-N 403.070 2.558 50 40 HFGB COc1cccc(/C=C(/C#N)C(=O)N2CCOCC2)c1OCc1ccc([N+](=O)[O-])cc1 409088093 FFHIVRMQRYAGPU-AQTBWJFISA-N 423.425 2.948 50 40 HFGB CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1cccc2nccnc12 2208040 DREANLKVPKAZML-OOXYOOLHSA-N 403.508 2.726 50 40 HFGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Br)ccc1O 3096343 BBOWCIBPWFIKLP-VXLYETTFSA-N 406.236 2.642 50 40 HFGB Cn1cnnc1SCc1ccc(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)cc1 3382708 PYIKQWQRDJGKMR-UHFFFAOYSA-N 420.498 2.592 50 40 HFGB O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N/N=C/c1ccc([N+](=O)[O-])cc1 4903149 IPEAMBBCLFUPOO-LPYMAVHISA-N 415.881 2.516 50 40 HFGB COC(=O)NNC(=O)c1nc(SCc2ccc(F)cc2)ncc1Br 11916281 HGJUAEIJNVQWEM-UHFFFAOYSA-N 415.244 2.671 50 40 HFGB Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)[C@H]2CCCC[C@@H]2C(=O)O)cc1 17093560 ZJJZSSVGJHMAPT-OALUTQOASA-N 423.469 2.899 50 40 HFGB C[C@H](Sc1nnnn1C[C@H]1CCCO1)C(=O)/C(C#N)=C1/Nc2ccccc2S1 30346807 IGZCWAXLVRAHSZ-FKQHZEHCSA-N 414.516 2.855 50 40 HFGB Cn1cc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccco3)cc2)c(Br)n1 2774605 YGPMGZCVHPNVKL-DJKKODMXSA-N 417.219 2.759 50 40 HFGB O=C(NNC(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(Br)cc1 3329847 RNNRUIHVYUFHEQ-UHFFFAOYSA-N 402.248 2.651 50 40 HFGB CCOc1ccc(/C=N/NC(=O)[C@@H](NC(=O)c2ccc3c(c2)OCO3)C(C)C)cc1 4691335 VKXKVCFMSHCPFX-QOOAHNBZSA-N 411.458 2.719 50 40 HFGB O=C(CNC(=O)C(c1ccccc1)c1ccccc1)N/N=C\c1ccc(C(=O)O)cc1 31870519 WSJGHNBDKOZPLO-YSMPRRRNSA-N 415.449 2.783 50 40 HFGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccc(C(C)C)cc2)cc1C 39986708 JHQMGUGNRGMHOW-XKZIYDEJSA-N 417.531 2.898 50 40 HFGB N#C/C(C(N)=O)=C1/S[C@@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(F)cc1 1888547 SVASKOQYQRRJLT-JQSQVVPISA-N 412.402 2.645 50 40 HFGB COc1ccc(/C=N/NC(=O)[C@@H](C)NC(=O)C23CC4CC(CC(C4)C2)C3)c(OC)c1 5524829 MRRDCDPSLCOUII-ABHIRHAJSA-N 413.518 2.875 50 40 HFGB O=C(COCC(=O)Nc1cccc(Cl)c1Cl)NNC(=O)c1cccc(F)c1 9849660 WJSCGEBYJMRDQU-UHFFFAOYSA-N 414.220 2.549 50 40 HFGB O=C(COc1ccc(-c2ccccc2)cc1)NNC(=O)COc1ccc([N+](=O)[O-])cc1 12289607 CXLABSVOXRISDK-UHFFFAOYSA-N 421.409 2.867 50 40 HFGB COc1ccc(CC(=O)NNC(=O)c2csc(COc3ccc(F)cc3)n2)cc1 13011659 KZODTUSCSADGTN-UHFFFAOYSA-N 415.446 2.874 50 40 HFGB CSc1ccc(/C=N/NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)cc1 20213940 PUGJAOAZTATOLS-UDWIEESQSA-N 405.545 2.942 50 40 HFGB COc1cc(Br)c(O)c(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2OC)c1 408592520 YXBCPBMGPMNNKV-QGMBQPNBSA-N 424.207 2.844 50 40 HFGB COc1cc(/C=N/NC(=O)c2cc(Br)ccc2O)c([N+](=O)[O-])cc1OC 409140499 IGRLOYUGIQKLPF-QGMBQPNBSA-N 424.207 2.844 50 40 HFGB COCCNC(=O)/C(C#N)=C1\N=C(NC(=O)c2ccc(Cl)cc2)c2ccccc21 5323985 NHDRQWGCLXRHOT-ZCXUNETKSA-N 408.845 2.527 50 40 HFGB O=C(Cc1csc(-c2ccc(F)cc2)n1)NNS(=O)(=O)c1ccccc1F 7727768 QGULWLHETQFUER-UHFFFAOYSA-N 409.439 2.641 50 40 HFGB CCOC(=O)COc1ccc(/C=N/NC(=O)Cc2ccc(OCC)cc2)cc1OC 10475971 JWJXIWZIYHWXAY-OEAKJJBVSA-N 414.458 2.729 50 40 HFGB CCC(=O)N1CCc2cc(C(=O)NNC(=O)c3ccc(Br)cc3)ccc21 40142776 XSLMJSMKZKZFNK-UHFFFAOYSA-N 416.275 2.823 50 40 HFGB CCN1C(=O)/C(=N\NC(=O)c2ccc(CSc3nncn3C)cc2)c2ccccc21 103461866 ZSQIIFAUEINGPP-NKFKGCMQSA-N 420.498 2.608 50 40 HFGB C[C@]12CC[C@H]3[C@@H](CCC4=C/C(=N\NC(N)=O)CC[C@@]43C)[C@@H]1CC/C2=N/NC(N)=O 118918623 DWNHUEDDAQRXDD-WCJLJOFASA-N 400.527 2.998 50 40 HFGB CCCCCCC(=O)NN/C(CC)=C1\C(=O)NC(=O)N(c2ccc(C)cc2)C1=O 5045476 UZSHCUXQSBCJAO-FBMGVBCBSA-N 400.479 2.833 50 40 HFGB COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cc(C)n[nH]3)cc2OC)cc1 8026430 CDIGBQZOBVKMBS-WSDLNYQXSA-N 408.414 2.718 50 40 HFGB COCCNC(=O)C(=O)N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1 408604959 JHUKFEMTJRPVFP-FOKLQQMPSA-N 424.284 2.785 50 40 HFGB CCOc1cc(/C=N/NC(=O)COc2c(C)cccc2C)ccc1OCC(=O)O 408914299 NTTROLWYYJGTGX-SSDVNMTOSA-N 400.431 2.695 50 40 HFGB COc1cccc(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1 706287 VNJZKCBRZLVLON-PXLXIMEGSA-N 415.515 2.555 50 40 HFGB CC(C)=C/C(C)=C/C(C)=N/NC(=O)c1nnn(-c2nonc2N)c1-c1ccccc1 4473619 NYBKRPAOAFGYFO-LYOTWYLBSA-N 406.450 2.918 50 40 HFGB COCc1c(Br)c(C)nc(OCC(=O)NN=C2CCCCC2)c1C#N 6545586 NWJMCOJROOAPKG-UHFFFAOYSA-N 409.284 2.986 50 40 HFGB CCOc1ccccc1OCC(=O)N/N=C/c1cc([N+](=O)[O-])cc(OCC)c1O 20100844 PAVUYNPVFKJAIT-RGVLZGJSSA-N 403.391 2.627 50 40 HFGB Cc1cc(/C=N/NC(=O)c2cccc(F)c2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 408968491 ZORKYNAEVIAKCH-FSJBWODESA-N 414.462 2.645 50 40 HFGB COc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)ccc1OCC(N)=O 409022053 DAQAPPMTISIWMO-AFPJDJCSSA-N 401.806 2.723 50 40 HFGB O=C(N/N=C/c1ccc(O)c(O)c1)c1cccc(N/N=C/c2ccc(O)c(O)c2)c1 4926320 VNUGUIFARDAFFJ-LCHFAGMQSA-N 406.398 2.719 50 40 HFGB COc1ccc(Cl)cc1C(=O)NNC(=O)C[C@](O)(c1ccccc1)C(F)(F)F 14241769 VDEWSHITMQMYSZ-KRWDZBQOSA-N 416.783 2.950 50 40 HFGB COc1ccc(/C(C)=N/NC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)cc1 408908140 UGHSIJDJXXQPHD-LTGZKZEYSA-N 403.504 2.618 50 40 HFGB O=C(NNC(=O)c1ccc(F)cc1F)c1ccc(=O)n(Cc2ccc(Cl)cc2)c1 16839320 QQSGTNRJNXUQQD-UHFFFAOYSA-N 417.799 2.903 50 40 HFGB CN(CC(=O)NN=C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccccc1 25097468 JFRAOSGRTVGPGP-UHFFFAOYSA-N 407.495 2.876 50 40 HFGB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)/C(C#N)=C\c1ccc2c(c1)OCO2 35189649 JFUYPLBMSDKIMD-NVNXTCNLSA-N 413.455 2.520 50 40 HFGB Cc1ccc(C(=O)NNC(=O)CSc2nnc3c(n2)[nH]c2ccc(F)cc23)cc1 8672018 ZYESNEPSHICSBX-UHFFFAOYSA-N 410.434 2.507 50 40 HFGB CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cc(OC)cc(OC)c3)[C@@H]2C1 13471544 LWFAHMGEWUDBPH-NHCUHLMSSA-N 403.486 2.839 50 40 HFGB O=C(COc1ccc(/C=N\NC(=O)c2ccc(Cl)cc2)cc1)NC[C@@H]1CCCO1 58882964 UHKIALVEWHRIAD-BTMMFNIDSA-N 415.877 2.778 50 40 HFGB CCOC(=O)CCN(C(=O)CCC(=O)C(C#N)=C1N(C)c2ccccc2N1C)C1CC1 70004119 KDXAZKBAWSSSFQ-UHFFFAOYSA-N 424.501 2.601 50 40 HFGB Cc1ccc(NC(=O)CN2C(=O)/C(=N/NC(=O)c3ccncc3)c3ccccc32)cc1 100496999 PTQIJIJMKDPZQT-YYADALCUSA-N 413.437 2.509 50 40 HFGB O=C(NNc1nc(N2CCCC2)nc(N2CCCC2)n1)Nc1cccc(Cl)c1 109309073 RZRNYZPFFKXDEG-UHFFFAOYSA-N 402.890 2.874 50 40 HFGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(N(C)C)cc2)S(C)(=O)=O)cc1Cl 408786741 MSLHEFRNQWFQFH-CIAFOILYSA-N 422.938 2.631 50 40 HFGB NC(=O)COc1c(Cl)cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl 409272814 SNLNBYXIGLKYHM-SCDVKCJHSA-N 411.201 2.530 50 40 HFGB COc1ccc(NC(=O)C(=O)N/N=C/c2cccc(Br)c2)c(OC)c1 4702982 DCJBTYNUMJHRCQ-VXLYETTFSA-N 406.236 2.555 50 40 HFGB CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)ccc1OCC(=O)O 408818890 PHWBDCNOCPGUBZ-YVLHZVERSA-N 410.426 2.781 50 40 HFGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(OC)c([N+](=O)[O-])c1)c1ccccc1 408977097 CYUFTBQGYACXLM-WMRWHDLOSA-N 414.418 2.931 50 40 HFGB O=C(O)COc1ccc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1Br 409230300 YBJCWIPOLPZQKB-UKWGHVSLSA-N 409.211 2.744 50 40 HFGB CC(=O)NNC(=O)c1csc(-n2nc(-c3cccc(O)c3)cc2C(F)(F)F)n1 1415723 WGISHOIOOWSISU-UHFFFAOYSA-N 411.365 2.501 50 40 HFGB O=C(NNC(=O)c1ccc2c(c1)OCO2)c1cccc(NC(=O)c2ccccc2)c1 10003083 MQAHQSANTMISSX-UHFFFAOYSA-N 403.394 2.742 50 40 HFGB CCOC(=O)c1c(C)[nH]c(C(=O)NN[C@H](SCC(=O)O)c2ccccc2)c1C 16758492 XWSMQMRFYQCCST-GOSISDBHSA-N 405.476 2.559 50 40 HFGB CCOc1ccc(/C(C)=N/NC(=O)CN(c2ccccc2C)S(C)(=O)=O)cc1 19954745 SKZPTJQEMAVAIV-LTGZKZEYSA-N 403.504 2.700 50 40 HFGB CCOc1ccc(C(=O)NNC(=O)c2cc(-c3ccc(C)s3)[nH]n2)cc1OC 32078423 PFDYTQBGLDPSEY-UHFFFAOYSA-N 400.460 2.929 50 40 HFGB COC(=O)c1ccc(/C=N/NC(=O)c2cccc(I)c2)cc1 59921334 UXIPZMWTRTVOSB-VCHYOVAHSA-N 408.195 2.842 50 40 HFGB C#CCOc1c(Cl)cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1OC 107963880 LAKZZXKQAHOOJB-MTJSOVHGSA-N 401.806 2.962 50 40 HFGB Cc1ccc(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 408972471 UDMVDZDWQMDEDN-HYARGMPZSA-N 403.479 2.685 50 40 HFGB Cc1cc([N+](=O)[O-])nn1Cc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1 1877429 MQJIFDKPBSMWQN-RGVLZGJSSA-N 408.374 2.820 50 40 HFGB CC(C)CCOc1ccc(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)NN)cc1 2418661 GKJKMFPHNOAOOB-OAQYLSRUSA-N 408.502 2.924 50 40 HFGB COc1ccc(Br)c(/C=N/NC(=O)COc2ccc([N+](=O)[O-])cc2)c1 2756978 UEANMQZOZJKRCQ-GIJQJNRQSA-N 408.208 2.895 50 40 HFGB Cc1ccc2[nH]c(C)c(CC(=O)NNC(=O)CCC(=O)NCc3cccs3)c2c1 4680146 PRFLAEFGBIQJFW-UHFFFAOYSA-N 412.515 2.633 50 40 HFGB CCn1c(SCC(=O)NNC(=O)COc2c(C)cccc2C)nc2ccccc21 5267796 WEGBETYQWNRYDH-UHFFFAOYSA-N 412.515 2.992 50 40 HFGB CC(C)(C)OC(=O)NCCC(=O)NNC(=O)COc1ccccc1-c1ccccc1 8187484 CTZGCKVNOBFTEB-UHFFFAOYSA-N 413.474 2.795 50 40 HFGB COc1cc(OC)cc(C(=O)NNC(=O)[C@@H](C)Oc2cccc(Br)c2)c1 12741664 GQISDLJSSAJXAQ-LLVKDONJSA-N 423.263 2.695 50 40 HFGB O=C1[C@@H]2[C@@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C(=O)N1c1ccccc1O 100751576 MTFVELSRMDRANT-HEGPYEPMSA-N 415.081 2.675 50 40 HFGB O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1cccc(I)c1 408724841 DRGCOZXGXHUWEW-UFWORHAWSA-N 423.210 2.582 50 40 HFGB COc1ccc(/C=C(\C#N)C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 3249116 KTWFFGVOHOSNCF-NTEUORMPSA-N 411.370 2.701 50 40 HFGB O=C(NNC(=O)c1cc2c(s1)CCC2)c1cccc(I)c1 14244767 XYKKHEWUZLXZKS-UHFFFAOYSA-N 412.252 2.916 50 40 HFGB CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccccc3OCC)[C@H]2C1 19816352 ZNFNTFBRASLXIW-AZUAARDMSA-N 417.469 2.967 50 40 HFGB CCOc1ccc(N(CC(=O)N/N=C(\C)c2ccc(F)cc2)S(C)(=O)=O)cc1 20210733 YKZVTZNLVBCWHQ-KGENOOAVSA-N 407.467 2.531 50 40 HFGB CCCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 408611994 TUMDPTAUVPXHEJ-FSJBWODESA-N 403.866 2.904 50 40 HFGB Cc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(I)cc1 3166445 JMTRFUAEEIZNKP-VCHYOVAHSA-N 407.211 2.688 50 40 HFGB COc1c(O)ccc(/C=N/NC(=O)Cc2ccc(Br)cc2)c1[N+](=O)[O-] 4735319 XVGKGRXBSOPUCR-GIJQJNRQSA-N 408.208 2.764 50 40 HFGB COc1ccc(Br)cc1C(=O)N/N=C/c1cc(OC)c(O)c([N+](=O)[O-])c1 8812593 RFTXCWDVGFZFMR-QGMBQPNBSA-N 424.207 2.844 50 40 HFGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc1 58924989 UWWBVOOWXCCETC-FYJGNVAPSA-N 421.906 2.821 50 40 HFGB O=C(NNC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)c1ccc(Cl)cc1Cl 408615249 NZFIFWGZWJZBAN-JTQLQIEISA-N 410.232 2.947 50 40 HFGB COc1cc(/C=N/NC(=O)CC(=O)Nc2cccc(Cl)c2)cc(OC)c1OC 408718232 DENIHMROJRDGMH-SRZZPIQSSA-N 405.838 2.845 50 40 HFGB O=C(CN1C[C@H](c2ccccc2)CC1=O)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 408973663 NVHIXABVRQOGKG-SBUZPKSBSA-N 400.822 2.714 50 40 HFGB COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc([N+](=O)[O-])c1O 36186166 MDCWCERJOIREJR-QGMBQPNBSA-N 400.303 2.727 50 40 HFGB COc1cc(C(=O)N/N=C/c2ccc3c(c2)OCO3)ccc1I 408745771 AELKKALFSIPSPK-QGMBQPNBSA-N 424.194 2.792 50 40 HFGB CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(Br)o1 408906508 CDBBRHGQXGDLKH-HIPSJFSSSA-N 408.252 2.850 50 40 HFGB COc1ccc(O)c(/C=N/NC(=O)CNC(=O)C(c2ccccc2)c2ccccc2)c1 4402243 KWPMICOOPKLKSY-CVKSISIWSA-N 417.465 2.799 50 40 HFGB C#CCOc1ccc(/C=N/NC(=O)[C@H](NC(=O)c2ccc(C)cc2)C(C)C)cc1OC 4679194 GDILPWCUFIPJDD-BHSKHCGUSA-N 421.497 2.920 50 40 HFGB C/C(CC(=O)Nc1ccc(OCc2ccccc2)cc1)=N\NC(=O)C(=O)NC(C)C 4690656 RETMIMHHOMCRSN-PCLIKHOPSA-N 410.474 2.611 50 40 HFGB Cc1ccc(NC(=O)CS[C@H](C)C(=O)NNC(=O)Cc2ccc(F)cc2)cc1 8414797 SXGNAPNDVUCTEO-CQSZACIVSA-N 403.479 2.584 50 40 HFGB COc1cccc(Nc2nnc(SCC(=O)NNC(=O)c3cccs3)s2)c1 9509546 PRXSSUPZWWHVQN-UHFFFAOYSA-N 421.529 2.905 50 40 HFGB COc1cc(/C=C/C(=O)NN)cc(I)c1OCc1ccccc1 226335145 BUSOXPZPWGFZOT-BQYQJAHWSA-N 424.238 2.882 50 40 HFGB CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(OC)cc3)[C@H]2C1 809453 ZGGSYXPIPHIKGP-RBUKOAKNSA-N 403.442 2.577 50 40 HFGB CC(=O)N[C@@H](CC(=O)NNC(=O)COc1ccc(C)c(C)c1)c1ccc(Cl)cc1 13021677 OKBBVFJCHAEHFS-IBGZPJMESA-N 417.893 2.751 50 40 HFGB CCOC(=O)COc1ccc(/C=N\NC(=O)[C@H](C)Oc2ccccc2)cc1OC 32111953 CPWLTEZDPFJJEF-PXNCGERRSA-N 400.431 2.555 50 40 HFGB Cc1ccc(NCC(=O)N/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)cc1 36145064 XJCGXPODMCSFLN-UFWORHAWSA-N 407.224 2.934 50 40 HFGB CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1cccc(OC)c1OCC 408910239 JBWDPDHJMWFOIC-FSTGKYBXSA-N 413.474 2.901 50 40 HFGB Cc1ccc(S(=O)(=O)NCc2ccc(/C=N/NC(=O)Cc3ccccc3)o2)cc1 409000719 ZVFRXSWMOOKEFN-HYARGMPZSA-N 411.483 2.759 50 40 HFGB O=C(N/N=C/c1cc(Br)ccc1O)[C@H]1CC(=O)N(c2ccccc2)C1 409150432 BWUCWHAHQBULII-NPNVKNKFSA-N 402.248 2.658 50 40 HFGB COc1ccnc(NNC(=O)Cc2c(C)nn(-c3ccc(C)c(Cl)c3)c2C)n1 52582296 QGCCNBVBOBYADK-UHFFFAOYSA-N 400.870 2.935 50 40 HFGB COc1cccc(N(CC(=O)N/N=C(\C)c2ccc(Cl)cc2)S(C)(=O)=O)c1 408791045 VGAYCBAMJJTGJA-DEDYPNTBSA-N 409.895 2.655 50 40 HFGB COc1ccc(/C=N/NC(=O)c2nn(-c3ccccc3)c(=O)c3c(N)scc23)cc1 988369 CBVONXPKGLUAFJ-FOKLQQMPSA-N 419.466 2.802 50 40 HFGB O=C(N/N=C/c1ccccc1O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1384083 GZUPBVJRCNVSCB-FYJGNVAPSA-N 421.906 2.597 50 40 HFGB COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4cccnc4)c(=O)c32)c1 2228092 BFNFZXRMBHZHEX-FQEVSTJZSA-N 400.438 2.827 50 40 HFGB COCCNC(=O)/C(C#N)=C/c1c(Oc2ccc(Cl)cc2)nc2ccccn2c1=O 2416734 FITFCEMPEAERDE-WYMLVPIESA-N 424.844 2.810 50 40 HFGB CN1C(=O)/C(=N\NC(=O)Cn2c(C(F)(F)F)nc3ccccc32)c2ccccc21 2632571 XLCLNPMVOZXJJI-XYGWBWBKSA-N 401.348 2.552 50 40 HFGB NNC(=O)/C(=C\c1cn(-c2ccccc2)nc1-c1cccnc1)NC(=O)c1ccccc1 3187989 YHPNGRYTYKERAV-KGENOOAVSA-N 424.464 2.695 50 40 HFGB CN(C)S(=O)(=O)c1ccc(C(=O)NNc2nc3c(Cl)cccc3s2)cc1 4121359 JXRBOOMJIMXFEB-UHFFFAOYSA-N 410.908 2.957 50 40 HFGB CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cc4c(cc3Cl)OCO4)[C@@H]2C1 4453513 SHTZBCISEYFJEY-BEFAXECRSA-N 407.861 2.814 50 40 HFGB CCn1c(NNC(=O)CCc2cnn(-c3ccccc3)c2)nc2ccccc2c1=O 11162875 GKYQUDCWXCNGMV-UHFFFAOYSA-N 402.458 2.678 50 40 HFGB O=C(COc1ccc2cc(Br)ccc2c1)NNC(=O)c1ccccn1 40142859 WYWBMLDWJXEEAS-UHFFFAOYSA-N 400.232 2.837 50 40 HFGB CC(=O)Nc1ccc(C(=O)N/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)cc1 96286789 XMTCMGZQNDSGLV-QGMBQPNBSA-N 421.207 2.785 50 40 HFGB O=C(N/N=C/[C@H]1C(=O)NC(=O)N(c2ccccc2F)C1=O)c1cccc2ccccc12 408534389 LTXDFKNMYMCCRD-SOAGAIGUSA-N 418.384 2.594 50 40 HFGB CCNC(=O)C(=O)N/N=C/c1cc(Cl)c(OCc2ccccc2)c(OCC)c1 408606796 BBEBPZFZSRBPAF-FSJBWODESA-N 403.866 2.904 50 40 HFGB Nc1nonc1-c1nc2ccccc2n1CC(=O)N/N=C/c1cccc2ccccc12 806048 GOIKVFPRWLRLKF-WYMPLXKRSA-N 411.425 2.972 50 40 HFGB C/C(=N\NC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O)c1ccc([N+](=O)[O-])cc1 12362292 ULOFXTSTEKJVJG-XDHOZWIPSA-N 424.866 2.555 50 40 HFGB CC(=O)N1C[C@H](C(=O)NNC(=O)c2cc3c(s2)CCCCC3)Oc2ccccc21 21970981 NLMVLBHPBUWLQR-QGZVFWFLSA-N 413.499 2.592 50 40 HFGB C=CCc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OCC(=O)O 59678277 YVDAMYXXSFRIRI-SRZZPIQSSA-N 413.386 2.559 50 40 HFGB CC(=O)NSC[C@@H](C(=O)Oc1ccc([N+](=O)[O-])cc1)N(C)C(=O)OC(C)(C)C 100138729 NQKRBSCPVJOKPC-AWEZNQCLSA-N 413.452 2.520 50 40 HFGB C=CCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1 408601517 BEWZRGQGYKFMTL-WSDLNYQXSA-N 416.275 2.780 50 40 HFGB COc1cc(C(=O)NNC(=O)COc2ccc3ccccc3c2)cc(OC)c1OC 2658215 HSPPYBZJMYPKFL-UHFFFAOYSA-N 410.426 2.706 50 40 HFGB CCCCOc1ccc(/C=N/NC(=O)c2nn(C)c(=O)c3ccccc23)cc1OC 7007509 MMPWQDZSIDVQMY-OEAKJJBVSA-N 408.458 2.885 50 40 HFGB Cc1cccc(C(=O)Nc2nnc(CC(=O)N/N=C/c3cccc([N+](=O)[O-])c3)s2)c1 59498636 VMHXVJUHVXNTMD-RGVLZGJSSA-N 424.442 2.700 50 40 HFGB Cc1ccc(N2C(=O)NC(=O)[C@@H](/C=N/NC(=O)c3cccc4ccccc34)C2=O)cc1 408535980 PIZLUJLHNSRHIN-NZYROCMPSA-N 414.421 2.763 50 40 HFGB CNC(=O)C(=O)N/N=C/c1cc(Cl)c(OCc2ccccc2Cl)c(OC)c1 408612004 TVSGAQGWIPMZGU-LSFURLLWSA-N 410.257 2.777 50 40 HFGB CCOc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)cc1 408785193 ZMPMCGUAGOWZRL-CIAFOILYSA-N 423.922 2.963 50 40 HFGB N#C/C(=C\c1c(Oc2ccccc2)nc2ccccn2c1=O)C(=O)NC[C@H]1CCCO1 2415575 HQRLEJUCJIDULP-IYICPGQYSA-N 416.437 2.689 50 40 HFGB Cc1ccc2nc(SCC(=O)NNC(=O)COc3ccc(Cl)cc3)[nH]c2c1 6908874 WUJJBNVIFRXWBE-UHFFFAOYSA-N 404.879 2.843 50 40 HFGB O=C(COc1ccc(Cl)cc1)NCC(=O)N/N=C/c1cccc(Br)c1 8791973 KRHDOGLCSRZVER-ZVBGSRNCSA-N 424.682 2.748 50 40 HFGB O=C(N/N=C/c1ccc(F)cc1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 96562094 JXYJMYVYAZMQEG-KKJJZKEWSA-N 409.870 2.783 50 40 HFGB O=C(Cn1ccc(C(F)(F)F)n1)N/N=C/c1ccc(OC(=O)c2cccnc2)cc1 3232914 ZQRQEBQGBWRGJJ-YSURURNPSA-N 417.347 2.666 50 40 HFGB C/C(=N\NC(=O)CN(c1c(C)cccc1C)S(C)(=O)=O)c1ccc([N+](=O)[O-])cc1 4189046 XRRIMCUNCLZUBS-HMMYKYKNSA-N 418.475 2.518 50 40 HFGB COc1cccc(/C=N/NC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)c1 20213126 VBCKOGANGCYUKU-RGVLZGJSSA-N 409.895 2.573 50 40 HFGB CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2cccc(Br)c2)cc1 59434127 KPJBKHQNGBEKCU-RGVLZGJSSA-N 418.247 2.715 50 40 HFGB O=C(Oc1ccc([N+](=O)[O-])cc1C=NN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccco1 409409737 QRSUNWOOUJATMU-GNTOHDJUSA-N 421.365 2.548 50 40 HFGB O=C(NN[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O)c1ccc(Br)cc1 857213 PFXSMSXQARRCTM-CQSZACIVSA-N 422.666 2.669 50 40 HFGB Cc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2)cc1[N+](=O)[O-] 5747213 GWESHGSMEWYUAJ-UHFFFAOYSA-N 408.208 2.506 50 40 HFGB COc1ccc(Cl)cc1-c1nnc(SCC(=O)NNC(=O)c2ccccc2)o1 408638311 RDKIXHSAIQXQGS-UHFFFAOYSA-N 418.862 2.952 50 40 HFGB Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c2ccccc2O)cc1 15229777 DDCJPRMMKUFDEB-LANLRWRYSA-N 403.504 2.544 50 40 HFGB COc1ccccc1N(CC(=O)N/N=C/c1ccco1)S(=O)(=O)c1ccccc1 19950035 MEWFCHHHTKGBBE-KGENOOAVSA-N 413.455 2.634 50 40 HFGB C[C@H](Cc1ccc2c(c1)O[C@@H](C(=O)OC(=O)O)O2)NC[C@H](O)c1cccc(Cl)c1 138246139 KEYJFXTXWGRDMM-KOXAJKMWSA-N 421.833 2.913 50 40 HFGB COc1ccc(/C=N/NC(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)cc1 408752964 KGYHFVXIKSAXTL-ISXGRJCASA-N 417.531 2.847 50 40 HFGB COc1ccc(/C=N/NC(=O)c2ccn(Cc3ccc([N+](=O)[O-])cc3)n2)cc1OC 1086761 HEGINXQRCLYRES-CIAFOILYSA-N 409.402 2.621 50 40 HFGB COc1cc(/C=N/NC(=O)c2ccc3c(c2)OCCO3)cc(Br)c1O 1437717 YQDDSOOXODKAJS-DJKKODMXSA-N 407.220 2.698 50 40 HFGB Cc1cc2c(cc1/C=N/NC(=O)[C@H](NC(=O)Cc1cccs1)C(C)C)OCO2 3766158 GRWZULQRYULJEN-VZBSEDMKSA-N 401.488 2.619 50 40 HFGB CC(C)(C)c1ccc(C(=O)NNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1 7708921 BBWCOBYXVOVZFE-UHFFFAOYSA-N 415.515 2.734 50 40 HFGB COc1ccc(C(=O)NNC(=O)CCC(=O)Nc2ccccc2)cc1Br 8399011 QFCFOZWOVWEDIC-UHFFFAOYSA-N 420.263 2.638 50 40 HFGB Cc1nnc(NNC(=O)CCc2nc(-c3ccccc3)c(-c3ccccc3)o2)[nH]c1=O 11548565 PDAWAYLUVJVNQX-UHFFFAOYSA-N 416.441 2.871 50 40 HFGB Cc1cc(C)nc(NNC(=O)c2oc3ccccc3c2CSc2nccc(=O)[nH]2)n1 58023780 SWMXXCUPASKWPS-UHFFFAOYSA-N 422.470 2.972 50 40 HFGB Nc1nnc(CC(=O)N/N=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)s1 1259638 JNMAHOYWIIOXSY-AUEPDCJTSA-N 408.462 2.955 50 40 HFGB O=C(NNc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])OCc1ccccc1 12648709 BKIRRPVTZIEHKU-UHFFFAOYSA-N 420.447 2.633 50 40 HFGB Cc1nc2ccccn2c1C(=O)NNC(=O)c1cc2cc(Br)ccc2[nH]1 29974799 NZBOLPIPRQKPSY-UHFFFAOYSA-N 412.247 2.961 50 40 HFGB C[C@H](OC(=O)/C(C#N)=C\c1ccc(N(C)C)cc1)C(=O)NCc1ccc2c(c1)OCO2 96504748 COSJPAQLQKYMQX-PACYTGELSA-N 421.453 2.636 50 40 HFGB CCN(CC)C(=O)COc1ccc(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)cc1OC 409194844 NIJQFHROYUJVFF-QVWJKXSPSA-N 422.485 2.700 50 40 HFGB Cc1cc(C)c2sc(NNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)nc2c1 4121460 JVPJTYIPGJMDNZ-UHFFFAOYSA-N 404.517 2.920 50 40 HFGB O=C(N/N=C/c1ccccn1)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 4587864 OEQFWRUKICKEEE-WRHQLWEMSA-N 415.409 2.911 50 40 HFGB Cc1c(C(=O)NNC(=O)N(C)Cc2nc3ccsc3c(=O)[nH]2)oc2ccccc12 12986107 PRBPBCBUFWKHAU-UHFFFAOYSA-N 411.443 2.526 50 40 HFGB COc1ccc(N([C@H](C)C(=O)N/N=C/c2cccc(Cl)c2)S(C)(=O)=O)cc1 19953578 DWLHLDWRNGQJQI-HMHKGCENSA-N 409.895 2.653 50 40 HFGB Cc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)cc1 408968082 WICYEHQWJCLINX-YDZHTSKRSA-N 410.499 2.814 50 40 HFGB CC(C)(C)c1ccc2c(c1)O[C@@H](C(=O)N/N=C\c1ccccc1OCC(=O)O)CO2 4680513 IAWQJEKFZOPBGP-MERTWQSDSA-N 412.442 2.738 50 40 HFGB COc1ccc([C@H]2[C@@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1Br 9302044 OMZKHWQYIBHPEK-QAPCUYQASA-N 424.302 2.813 50 40 HFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1C(F)(F)F)c1ccc(F)cc1 20211787 DXYPPRRHMQDYCU-LSHDLFTRSA-N 417.384 2.761 50 40 HFGB CCCCCC(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 30887728 HVDQAQIQHIXLBO-UHFFFAOYSA-N 403.504 2.506 50 40 HFGB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)CC3(C)OCCO3)c2C)cc1 408589152 KUACSLAYQANQTL-OEAKJJBVSA-N 413.474 2.874 50 40 HFGB CSc1ccc([C@H]2CC(=O)NC(SCC(=O)NC[C@@H]3CCCO3)=C2C#N)cc1 6454160 MFUNWOXJYTUXRU-GOEBONIOSA-N 417.556 2.776 50 40 HFGB O=C(CCNC(=O)c1ccccc1)NNC(=O)c1ccc(COc2ccccc2)cc1 7652527 VNLRBJMLEFFGEX-UHFFFAOYSA-N 417.465 2.847 50 40 HFGB O=C(CN1CCN(Cc2ccccc2Cl)CC1)N/N=C/c1ccccc1[N+](=O)[O-] 20065733 WOQPCMGDLRIBHW-LPYMAVHISA-N 415.881 2.516 50 40 HFGB CC(C)Oc1ccc(/C=N/NC(=O)CN(c2ccccc2F)S(C)(=O)=O)cc1 20211693 QKGMIIJOCZOBRS-CIAFOILYSA-N 407.467 2.529 50 40 HFGB O=C(COc1ccccc1Cl)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1 408914638 VLAIWRGFGPEBMA-CIAFOILYSA-N 418.837 2.614 50 40 HFGB O=C(CN1C[C@H](c2ccccc2)CC1=O)N/N=C/c1cc([N+](=O)[O-])ccc1Cl 408972969 IYIHEZRDLSRDBH-SBUZPKSBSA-N 400.822 2.714 50 40 HFGB CCc1sc(C(=O)NCC(=O)NNC(=O)[C@@H](C)Oc2cccc(C)c2C)cc1C 12932965 HEFMIJXSSRFQGQ-OAHLLOKOSA-N 417.531 2.580 50 40 HFGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NC3CCCC3)cc2)cc1 58873418 XJLNFZHOUIEUBH-ZVHZXABRSA-N 422.485 2.521 50 40 HFGB O=C(N/N=C1\C(=O)N(CN2CCCCC2)c2ccccc21)c1cccc([N+](=O)[O-])c1 95116628 TWRNPXYMQIMSTG-QOCHGBHMSA-N 407.430 2.519 50 40 HFGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccncc2)c2ccccc2)cc1 408880351 INERQRAYBQIGQF-HZHRSRAPSA-N 408.483 2.736 50 40 HFGB C#CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccc(OC)cc1O 409391687 KQJWKZIPUFKVGJ-RGVLZGJSSA-N 403.232 2.939 50 40 HFGB CCOC(=O)c1ccc(C[C@@H]2S/C(=C(/C#N)C(N)=O)N(c3ccccc3)C2=O)cc1 2367413 SPSAKLRJWZSKRE-HGBKYHTQSA-N 421.478 2.775 50 40 HFGB CCN(CC)c1ccc(C(=O)NNC(=O)CN2CCC[C@@H](C(F)(F)F)C2)cc1 12549097 JGOIQUKNVGZYDJ-OAHLLOKOSA-N 400.445 2.568 50 40 HFGB O=C(NNC(=O)c1ccccc1Cc1ccccc1)c1csc(N2CCOCC2)n1 12803645 BYRCXCLXUXGDRY-UHFFFAOYSA-N 422.510 2.645 50 40 HFGB C[C@H](Oc1ccccc1F)C(=O)NNC(=O)C1(CNC(=O)OC(C)(C)C)CCCC1 79092990 OCKKAIWAUPXTNV-AWEZNQCLSA-N 423.485 2.826 50 40 HFGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OCC(N)=O)c(Cl)c2)cc1OC 409321733 HFQGRDCWRKGJFA-KSEXSDGBSA-N 419.865 2.765 50 40 HFGB COc1ccc2c(c1OC)C(=O)O[C@@H]2NNC(=O)c1cccc(Br)c1 2306209 WEWOZZQOFFYEQQ-INIZCTEOSA-N 407.220 2.570 50 40 HFGB C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)CN2CCCCC2)cc1)c1ccccc1 5675306 IXZGLCDESMUNHV-DUYBAWCLSA-N 422.529 2.879 50 40 HFGB CN(CC(=O)N/N=C/c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1 8042717 QLNXQAPQPQZBPD-VXLYETTFSA-N 400.287 2.764 50 40 HFGB Cc1cc(C)nc(NNC(=O)Cc2csc(NC(=O)c3ccccc3F)n2)n1 40108670 WCODVKQMFWFODL-UHFFFAOYSA-N 400.439 2.627 50 40 HFGB Cc1cc(/C=N/NC(=O)C(=O)NCc2ccncc2)c(C)n1-c1ccccc1Cl 58912400 JGKITWJWKIFTNX-DHRITJCHSA-N 409.877 2.909 50 40 HFGB C[C@@H](C(=O)N/N=C/c1ccccc1O)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 6007680 ZUQDELBMIPXOOG-IRGAESGOSA-N 410.499 3.000 50 40 HFGB COc1ccccc1/C=N/NC(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 8169066 SEUMVCZKYFSVMU-VPNURPJOSA-N 416.275 2.961 50 40 HFGB O=C1[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C(=O)N1c1ccccc1O 18285759 PCMVWTQSMHUDDE-FIRGSJFUSA-N 403.070 2.819 50 40 HFGB O=C1[C@H]2[C@H](C(=O)N1Nc1ccccc1)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br 101509761 XEUZBZLQQASJJG-PTEOKISQSA-N 414.097 2.791 50 40 HFGB CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(OC)cc3)[C@@H]2C1 809454 ZGGSYXPIPHIKGP-MOPGFXCFSA-N 403.442 2.577 50 40 HFGB COC(=O)COc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1 4209597 IJLUHFZAWSIIEY-PCLIKHOPSA-N 418.449 2.625 50 40 HFGB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)[C@H]1CCCC[C@@H]1C(=O)O 17082602 JAUAZQISBASICJ-DLOVCJGASA-N 403.262 2.799 50 40 HFGB COc1ccc(N([C@H](C)C(=O)N/N=C/c2ccccc2Cl)S(C)(=O)=O)cc1 19953571 RORNFRIXXDTMGN-HMHKGCENSA-N 409.895 2.653 50 40 HFGB N/C(=N\NC(=O)c1cc(-c2cccs2)[nH]n1)c1cc2cc(Cl)ccc2oc1=O 57509571 FUQXBYGUVSCUTQ-UHFFFAOYSA-N 413.846 2.948 50 40 HFGB C[C@@H](C(=O)N/N=C/c1ccccc1Br)N(c1ccccc1)S(C)(=O)=O 408907154 LPFUVPLBZHQNRM-HCZVKUGISA-N 424.320 2.754 50 40 HFGB COCCO[C@@H](C)C(=O)NNC(=O)Nc1ccccc1N(C)Cc1ccccc1 95467092 ZQEBVJUPGOFZLC-INIZCTEOSA-N 400.479 2.527 50 40 HFGB CCCCOc1cccc(N2/C(=N\C(=O)CCl)S[C@@H]3CS(=O)(=O)C[C@H]32)c1 101310575 ISOSEWUIBMDVLQ-YKHTYXQRSA-N 416.952 2.706 50 40 HFGB COc1ccccc1OCC(=O)NNC(=O)/C=C/c1ccc(OC(F)F)c(OC)c1 12862205 DGGFJJYIWCIQLK-CSKARUKUSA-N 422.384 2.545 50 40 HFGB COc1ccc(CNC(=O)/C(C#N)=C/c2cc(OC)c(O)c([N+](=O)[O-])c2)c(OC)c1 408866133 GQFVFEOLGSRWPH-MKMNVTDBSA-N 413.386 2.550 50 40 HFGB CCOc1cc(/C=C(/C#N)C(=O)N2CCOCC2)ccc1Oc1ccc([N+](=O)[O-])cn1 409211624 NGRSOAWOXPQJNS-WJDWOHSUSA-N 424.413 2.947 50 40 HFGB COCCCNC(=O)/C(C#N)=C/c1c(Oc2ccccc2)nc2c(C)cccn2c1=O 2344620 GCAZWXCHWJAKKM-SAPNQHFASA-N 418.453 2.855 50 40 HFGB O=C(N/N=C/c1cc(Br)c(N2CCOCC2)o1)c1ccc([N+](=O)[O-])cc1 59302688 AEHVKNAXZXPBNF-VCHYOVAHSA-N 423.223 2.551 50 40 HFGB O=C(N/N=C/c1ccc(F)cc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 96562093 JXYJMYVYAZMQEG-RHLNUJDMSA-N 409.870 2.783 50 40 HFGB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=N/NC(=O)CSc1ccc([N+](=O)[O-])cc1 408739980 HGKFKTAMDAIRRX-PBGVMVHZSA-N 411.443 2.828 50 40 HFGB O=C(CN1CCOCC1)N/N=C\c1cn(CCOc2ccccc2)c2ccccc12 409210690 GGDVNCSJLMETGD-JLPGSUDCSA-N 406.486 2.503 50 40 HFGB COc1cc(OC)cc(C(=O)N/N=C/c2cc(OC)cc(Br)c2O)c1 8811078 QQEBJUHCRXHCQU-DJKKODMXSA-N 409.236 2.944 50 40 HFGB O=C(CN(c1cccnc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(F)cc1 19952704 HMDREPXYMHESEU-YDZHTSKRSA-N 412.446 2.566 50 40 HFGB O=C(COc1ccc(/C=N/NC(=O)c2ccccc2Cl)cc1)NC[C@H]1CCCO1 28215342 UIAHWOISVYUVSK-FQIOEHTJSA-N 415.877 2.778 50 40 HFGB Cc1ccc(O[C@@H](C)C(=O)NNC(=O)c2ccc3c(c2)OCO3)c(Br)c1 40140307 BJSQPDOMKLSZFO-NSHDSACASA-N 421.247 2.715 50 40 HFGB O=C(NC[C@@H]1CCCO1)C(=O)N/N=C/c1cc(Cl)ccc1Nc1ccccc1F 408708796 SWCRRHYYDXVDGU-OWLNGIFZSA-N 418.856 2.968 50 40 HFGB O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2 3476546 DUTRJEWVOBKTEQ-QPJQQBGISA-N 410.308 2.905 50 40 HFGB Cc1c(C)n2c3c(=O)n(C/C=C/c4ccccc4)c(=O)n(C)c3nc2n1CCCl 10104469 UBKPVPRZJAZKFV-JXMROGBWSA-N 411.893 2.718 50 40 HFGB Cc1ccc(-n2nnc(C(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)c2C(C)C)cc1 40140077 FPLDDYJOCCBCDX-UHFFFAOYSA-N 408.418 2.682 50 40 HFGB C/C(CC(=O)NC(C)(C)C)=N\NC(=O)c1cccc(I)c1 100089433 DQUHXZJLBGWGPW-VCHYOVAHSA-N 401.248 2.702 50 40 HFGB N#C/C(=C\c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1)C(=O)Nc1ccccc1 408794363 SBLCJVMRKUDOAY-DOIQENQNSA-N 405.454 2.906 50 40 HFGB O=C(CN1C[C@@H](c2ccccc2)CC1=O)N/N=C/c1ccc(Br)cc1 408974267 YCQRKGZRBGMRBJ-XYHOIZSOSA-N 400.276 2.915 50 40 HFGB CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(OC)cc3)[C@@H]2C1 809451 ZGGSYXPIPHIKGP-RTBURBONSA-N 403.442 2.577 50 40 HFGB COc1cc(OC)cc(C(=O)NNC(=O)c2cc(OC)ccc2Br)c1 13135301 ZXABNGNZHQEBLI-UHFFFAOYSA-N 409.236 2.550 50 40 HFGB COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)N1CCOCC1 13943571 AWGSQTPAQJZTOT-SFQUDFHCSA-N 418.453 2.873 50 40 HFGB C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)N/N=C\c4ccccc4O)c(=O)c23)C1 16810059 ZUQDELBMIPXOOG-VKCJYKEXSA-N 410.499 3.000 50 40 HFGB Cc1cc(C)nc(NNC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)c2)n1 32889338 BCBVKXBTXOPPCZ-ZIAGYGMSSA-N 417.535 2.517 50 40 HFGB Cc1ccc2nc(C)c(C(=O)N/N=C/c3ccc(OCC(=O)NC(C)C)cc3)n2c1 58872900 VYZIOVRFTWODKM-FOKLQQMPSA-N 407.474 2.618 50 40 HFGB Cc1ccc(C)c(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCC(C)C)cc2)c1 8369953 VVJGOVNIXBGIOQ-DHRITJCHSA-N 424.501 2.543 50 40 HFGB C[C@H](Nc1nc2ccccc2s1)C(=O)NNC(=O)/C=C/c1ccccc1[N+](=O)[O-] 40049236 KSSHIGQENIRVLR-IIANPFDCSA-N 411.443 2.866 50 40 HFGB COc1cc(I)cc(/C=C(/C#N)C(=O)NC(C)C)c1OC 408786207 GZVYJTIEPFITAQ-WZUFQYTHSA-N 400.216 2.740 50 40 HFGB CCOc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)cc1 408788240 CVJZELMMBLMHSD-CIAFOILYSA-N 423.922 2.963 50 40 HFGB CCOC(=O)COc1ccccc1/C=N\NC(=O)COc1cccc2cccnc12 409017937 KEQJDAYXSGLPIN-CFRMEGHHSA-N 407.426 2.706 50 40 HFGB CSc1ccc(/C=N/NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1 3470317 CGQMUPVHZXYCTJ-XSFVSMFZSA-N 403.529 2.957 50 40 HFGB CC[C@H]1CCc2sc(C(=O)OCC(=O)NNC(=O)c3ccc(OC)cc3)cc2C1 9718263 HNHMTOKOARWYAS-ZDUSSCGKSA-N 416.499 2.890 50 40 HFGB O=C1N(CN2CCN(c3ccccc3)CC2)c2ccccc2[C@@]12OC[C@@H](CCl)O2 16489085 HPBCMYWTBUQHOX-GCJKJVERSA-N 413.905 2.620 50 40 HFGB C[C@@H](NC(=O)c1ccccc1)C(=O)N/N=C1\C(=O)Nc2c(Cl)cc(Cl)cc21 6007806 AKOPWTNXIUNOIN-SECBINFHSA-N 405.241 2.584 50 40 HFGB CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cc(OC)ccc3F)[C@H]2C1 6195026 MEGWETPXOPIUCM-PKOBYXMFSA-N 421.432 2.716 50 40 HFGB O=C(Cn1nc(C(F)(F)F)cc1C1CC1)N/N=C/c1ccn(CC(F)(F)F)n1 252493438 NBXZMNXNVJZDDO-GEVRCRHISA-N 408.306 2.688 50 40 HFGB Cc1cc([N+](=O)[O-])cc2c1NC(=O)/C2=N\NC(=O)c1ccccc1Br 4402292 JGHGPSJOWMVCJM-UHFFFAOYSA-N 403.192 2.752 50 40 HFGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1C(C)C)c1ccc2ccccc2c1 5046929 BAROLIQCXDZHNV-WSDLNYQXSA-N 404.434 2.663 50 40 HFGB COc1ccccc1OCC(=O)N/N=C/c1cc(Br)c(O)c(OC)c1 5361939 HWWAJZXMXACJKO-DJKKODMXSA-N 409.236 2.701 50 40 HFGB Cc1nn(-c2ccccc2)c2sc(C(=O)N([C@H]3CCS(=O)(=O)C3)N(C)C)cc12 13008691 VVBZXMCPVMAILZ-HNNXBMFYSA-N 418.544 2.501 50 40 HFGB COc1cc(/C=N/NC(=O)COc2ccc(Br)cc2)cc([N+](=O)[O-])c1O 36265293 GLPYQPLHJWWZSD-QGMBQPNBSA-N 424.207 2.601 50 40 HFGB COc1cc(OC)cc(C(=O)N2CCC(C(=O)N/N=C/c3cccs3)CC2)c1 59953187 JBVUAIBAFNRPMH-FYJGNVAPSA-N 401.488 2.768 50 40 HFGB c1ccc([C@H]2OO[Sn](c3ccccc3)(c3ccccc3)O2)cc1 195999580 DYKQTKLLNGBJLG-LSBIWMFESA-M 411.045 2.920 50 40 HFGB C#CCOc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)c1cc(Br)ccc1O 14408603 BFXWMPPTTFAOEE-VXLYETTFSA-N 418.203 2.839 50 40 HFGB CCOc1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2O)cc(Br)c1O 18039885 OBITWOCQDBDYEB-QGMBQPNBSA-N 424.207 2.931 50 40 HFGB COc1c(OC(C)=O)ccc(/C=N\NC(=O)COc2ccc(C)cc2C)c1[N+](=O)[O-] 30843539 LQFPGWQTKAOYRK-FBHDLOMBSA-N 415.402 2.675 50 40 HFGB Cc1cc(C(=O)NNC(=O)c2cccc(NS(=O)(=O)c3cccs3)c2)c(C)o1 40143520 ZABSRPLJMXNORL-UHFFFAOYSA-N 419.484 2.834 50 40 HFGB Cc1ccc(N(CC(=O)N/N=C/c2ccccn2)S(=O)(=O)c2ccccc2)cc1 59472747 YBDXFYKDPOSGOW-HZHRSRAPSA-N 408.483 2.736 50 40 HFGB Cn1c(=O)n(C)c2cc(/C=C(\C#N)C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)ccc21 408892023 XIMNACRMGJQJHJ-KPKJPENVSA-N 411.805 2.984 50 40 HFGB Cc1cc(O)nc(Sc2ccc([N+](=O)[O-])cc2/C=N/NC(=O)c2ccncc2)n1 409104738 FGNNJGZZKZHPEF-KEBDBYFISA-N 410.415 2.709 50 40 HFGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccccc2)=C(C#N)[C@H]1c1ccccc1 409124303 BDIRYGKPLRBZOG-RTBURBONSA-N 421.478 2.796 50 40 HFGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1c(C)cccc1C 409257254 RSUVMCRVJPEUOL-ZRWQFTNJSA-N 424.501 2.686 50 40 HFGB O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1ccc(S(=O)(=O)O)o1 4132923 HACCANHYGFTDAH-UDWIEESQSA-N 400.412 2.722 50 40 HFGB O=C1[C@H]2C[C@@H](Br)[C@H](Br)C[C@H]2C(=O)N1c1ccc(O)cc1 4156933 KKPZIIQFEYLENP-WRWGMCAJSA-N 403.070 2.819 50 40 HFGB COc1ccc(C(=O)N/N=C(\C)CC(=O)Nc2ccc(NC(C)=O)cc2)cc1OC 4904388 VGDBBQHFMHXBRY-ZMOGYAJESA-N 412.446 2.797 50 40 HFGB C[C@@H]1O[C@@H](Cl)C[C@@H](NC(=O)C(F)(F)F)[C@@H]1OC(=O)c1ccc([N+](=O)[O-])cc1 5575060 OTACEVQPAKEQEB-FZVWWSIASA-N 410.732 2.541 50 40 HFGB C=CCn1c(CC(=O)OCC)cs/c1=N\NC(=O)c1cccc(Br)c1 22079544 JYBWEUKUACCNRE-JZJYNLBNSA-N 424.320 2.849 50 40 HFGB Cc1occc1C(=O)Nc1nc(CC(=O)NNC(=O)c2ccc(Cl)cc2)cs1 40128388 OMHLWFRQLPJJBY-UHFFFAOYSA-N 418.862 2.954 50 40 HFGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccccc1Cl)S(C)(=O)=O 408780408 CGMXHGCRXGNAOL-UDWIEESQSA-N 409.895 2.655 50 40 HFGB C/C(=N\NC(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 408784277 QAEDEBPVDJHHJH-HMMYKYKNSA-N 418.475 2.518 50 40 HFGB COc1ccc(OCC(=O)N/N=C/c2cc3c(cc2Br)OCO3)cc1 1505460 WARVOXHZKXQXLL-UFWORHAWSA-N 407.220 2.716 50 40 HFGB Cc1nn2c(nc(N3CCOCC3)c3ccccc32)c1/C=N/NC(=O)c1ccccc1 3179454 XYVHJVZPEWYYDM-BUVRLJJBSA-N 414.469 2.791 50 40 HFGB CN(C)c1cccc(C(=O)NNC(=O)CCn2c(-c3cccs3)n[nH]c2=S)c1 12511813 SYNQGHSHTRDUFI-UHFFFAOYSA-N 416.532 2.586 50 40 HFGB C/C(CC(=O)NC1C2CC3CC(C2)CC1C3)=N\NC(=O)C(=O)Nc1ccccc1C 4680219 FEQUFBFCSOAWGF-VULFUBBASA-N 410.518 2.757 50 40 HFGB O=C(CSc1cc(Cl)ccc1Cl)NNC(=O)c1cccc(-n2cnnn2)c1 9442637 VVUDFXXVSPIZJS-UHFFFAOYSA-N 423.285 2.522 50 40 HFGB COc1ccc(CC(=O)NNC(=O)COc2ccccc2C2SCCS2)cc1 12993365 FQSDXIGRIWIYFG-UHFFFAOYSA-N 418.540 2.943 50 40 HFGB N#Cc1ccc(-c2ccc(OCC(=O)NNC(=O)COc3ccccc3F)cc2)cc1 13138061 LBTBBKJWTHZURH-UHFFFAOYSA-N 419.412 2.970 50 40 HFGB N#Cc1ccc(/C=N/NC(=O)COc2ccc(I)cc2)cc1 4705100 MDJJXTYRUDLEEU-VXLYETTFSA-N 405.195 2.692 50 40 HFGB CCOc1ccc(N2C[C@H](C(=O)N/N=C/c3cccc(OC)c3OC)CC2=O)cc1 6962937 ISSCDUXHRVWHFU-DXRSZSRVSA-N 411.458 2.606 50 40 HFGB COc1cccc([C@@H]2[C@H]3CN(C(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)c1OC 19816360 SGWVXSCLSOPNQM-AZUAARDMSA-N 403.486 2.838 50 40 HFGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN3CCCCC3)cc2)cc1 28214294 OJDFWYGXDSZLMV-BUVRLJJBSA-N 408.502 2.949 50 40 HFGB COc1nc(N)nc2sc(C(=O)NNC(=O)c3cc4c(s3)CCCCC4)cc12 30801159 YEIYFGMNRYQBRM-UHFFFAOYSA-N 417.516 2.687 50 40 HFGB CCCOc1ccc(/C=N/NC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)cc1 408920980 AHMHTDBHSWNLHE-WASCAKKMSA-N 403.504 2.780 50 40 HFGB O=C(N/N=C/c1c(O)ccc2ccccc12)c1[nH]ncc1I 787491 IUNWXDPDHLQXPG-REZTVBANSA-N 406.183 2.637 50 40 HFGB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1O 5205521 FLHKSFGZWDITLB-PXLXIMEGSA-N 409.467 2.738 50 40 HFGB COc1cccc(/C=N/NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)c1 6794025 FELRTFPEKGXWLO-HYARGMPZSA-N 411.483 2.765 50 40 HFGB COC(=O)c1cc(OC)c(OC)cc1N/C=C(\C#N)C(=O)NCCc1ccccc1 11692035 IIJMDZXXQIARRG-JQIJEIRASA-N 409.442 2.669 50 40 HFGB CC(=O)N[C@@H](CC(=O)NNC(=O)COc1ccc(Cl)c(C)c1)c1ccc(C)cc1 12752756 MCBVKSVLMDVJPY-IBGZPJMESA-N 417.893 2.751 50 40 HFGB O=C(CN(c1cccnc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1F 19952699 USURKHFNUVBHTM-YDZHTSKRSA-N 412.446 2.566 50 40 HFGB CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 36006196 UESUBFIIKWYOTQ-AEFFLSMTSA-N 408.849 2.993 50 40 HFGB COc1cccc(N(CC(=O)N/N=C/c2ccc(C(C)C)cc2)S(C)(=O)=O)c1 408769274 QHHZVQNJZOEYBU-FYJGNVAPSA-N 403.504 2.735 50 40 HFGB Cc1cccc(NC(=O)C(=O)N/N=C/c2ccc(I)cc2)c1 3008913 OPHBMUYIELOYIB-VCHYOVAHSA-N 407.211 2.688 50 40 HFGB Cc1cc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2)[nH]n1 4599453 GMZPQNWHNUWKDO-SRZZPIQSSA-N 407.386 2.918 50 40 HFGB CN1C(=O)[C@@]2(C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)c2cc(Cl)ccc21 9341194 KGFCNRCLPRADQU-OAQYLSRUSA-N 405.797 2.795 50 40 HFGB CCCOc1ccc([C@@H]2[C@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC 19851873 WLIRNOIIACLERB-GHTZIAJQSA-N 403.486 2.839 50 40 HFGB Cc1ccc(N(CC(=O)N/N=C/c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 20207856 VPPSUZSHWFBWCH-SSDVNMTOSA-N 413.421 2.930 50 40 HFGB O=C(CN1CCN(Cc2ccccc2Cl)CC1)N/N=C\c1cccc([N+](=O)[O-])c1 32576979 GLPYVDSVHLCNSM-XKZIYDEJSA-N 415.881 2.516 50 40 HFGB O=C(NNC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(Cl)cc1 3426227 FOLQRCXTBUSNOE-UHFFFAOYSA-N 421.906 2.589 50 40 HFGB CCOc1ccccc1/C=N/NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 3574087 YOUSRRNUMNQMHT-RCCKNPSSSA-N 401.488 2.634 50 40 HFGB O=C1[C@H]2[C@@H](C(=O)N1Nc1ccccc1)[C@@H]1C[C@H]2[C@@H](Br)[C@H]1Br 4134912 XEUZBZLQQASJJG-BCFCROPCSA-N 414.097 2.791 50 40 HFGB COc1cc(/C=N/NC(=O)CNc2ccccc2)ccc1OC(=O)c1cccnc1 6297596 UBXOJYTVQVKELX-DHRITJCHSA-N 404.426 2.872 50 40 HFGB C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(N)=O)cc1OC 6441268 VYWFNFJRXAULJP-KSEXSDGBSA-N 417.849 2.541 50 40 HFGB CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(C(C)C)cc2)c1 12766107 CNYBMCROYFSPIY-UHFFFAOYSA-N 417.531 2.915 50 40 HFGB COc1ccc(C(=O)NNC(=O)CSc2ccc(Cl)cc2)c(OC)c1OC 12801531 IZCMWAKVZLHFGY-UHFFFAOYSA-N 410.879 2.919 50 40 HFGB C=CCOc1cccc(/C=N/NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)c1 20209307 WHBXFEJEVQVGPB-FYJGNVAPSA-N 421.906 2.821 50 40 HFGB CCCN1CC=C2[C@H](C1)[C@H](c1ccc(C(=O)OC)cc1)C(C#N)=C(N)C2(C#N)C#N 33936209 USDIPFAPKZSUDR-AZUAARDMSA-N 401.470 2.609 50 40 HFGB CC1(C)[C@]2(C(=O)NN)CC[C@]1(C(Br)Br)[C@@H]2Br 225603140 ILSUHDVXLKAOJW-MPWNKIQUSA-N 418.955 2.662 50 40 HFGB COc1ccc(/C=N/NC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 719442 ZQAWQDPKHUAWLD-FBRGJASNSA-N 410.499 2.742 50 40 HFGB O=C(NNC(=O)C1CC1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F 1406808 ZLXYQGZMELCGRT-UHFFFAOYSA-N 400.275 2.740 50 40 HFGB COCCCNC(=O)/C(C#N)=C/c1c(Oc2ccccc2C)nc2ccccn2c1=O 4205539 FUCPBJLBEYXBML-SAPNQHFASA-N 418.453 2.855 50 40 HFGB COc1ccc(NCC(=O)NNC(=O)c2ccccc2Br)cc1Cl 7974726 JQCPEPXONHGKHT-UHFFFAOYSA-N 412.671 2.984 50 40 HFGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)ccc1OCc1ccccc1 8219921 BYSKYQRMYHIWQP-ZMOGYAJESA-N 407.426 2.634 50 40 HFGB COc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)ccc1OCC(=O)O 9204451 PTHGLWAZMTWEBM-KEBDBYFISA-N 421.247 2.614 50 40 HFGB Cc1nc2cc(C(=O)OCC(=O)NNC(=O)c3ccco3)ccc2n1-c1ccccc1 9468619 FOBNWCMVAARORU-UHFFFAOYSA-N 418.409 2.545 50 40 HFGB O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)NNC(=O)Cc1c[nH]c2ccccc12 24454840 SFXFKCZELYOXMK-UHFFFAOYSA-N 422.529 2.581 50 40 HFGB CCc1sc(C(=O)NNC(=O)C2CCN(C(=O)OCC(F)(F)F)CC2)cc1C 25500832 NZOBKOFPTDKXDH-UHFFFAOYSA-N 421.441 2.791 50 40 HFGB CCNC(=O)/C(C#N)=C/c1c(Oc2ccccc2OC)nc2c(C)cccn2c1=O 2403169 BQDFUKWNOGKDJM-NTCAYCPXSA-N 404.426 2.847 50 40 HFGB CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(Cl)cc3[N+](=O)[O-])[C@H]2C1 4786306 UESUBFIIKWYOTQ-FUHWJXTLSA-N 408.849 2.993 50 40 HFGB C=CCNC(=O)NC(=O)COC(=O)[C@@H](Br)C12CC3CC(CC(C3)C1)C2 6312925 KDUQIQTWDVNOKX-CHGJFTSJSA-N 413.312 2.521 50 40 HFGB CCOc1ccc(N2C[C@H](C(=O)N/N=C/c3ccc(OC)cc3OC)CC2=O)cc1 6962932 PMCUAMPEVBNORA-DXRSZSRVSA-N 411.458 2.606 50 40 HFGB O=C(N/N=C/c1ccc(O)cc1O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 7698942 VFXNXDOCUQSJRN-ZMOGYAJESA-N 414.421 2.620 50 40 HFGB N#CC1=C(N)Oc2[nH]nc(-c3ccc([N+](=O)[O-])cc3)c2[C@@H]1c1ccc2c(c1)OCO2 1085824 CKJGMRLCLXPHSD-MRXNPFEDSA-N 403.354 2.932 50 40 HFGB CC(C)(C)c1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)cc1 6313508 SXMAYOKCKNLVCG-HYARGMPZSA-N 401.532 2.896 50 40 HFGB CCOc1cc(/C=N/NC(=O)[C@H]2CCS(=O)(=O)C2)ccc1OCc1ccccc1 7324636 ANUAWWQIYXHVRK-ZFJBLLOBSA-N 416.499 2.549 50 40 HFGB CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NNC(=O)c1cc(C)oc1C 14237122 RBJFPCOHYUMICO-MRXNPFEDSA-N 423.922 2.863 50 40 HFGB COCc1cc(C)nc(OCC(=O)N/N=C/c2c(O)ccc3ccccc23)c1C#N 16267818 KNKWGPJWFXDBTO-BHGWPJFGSA-N 404.426 2.796 50 40 HFGB COc1ccc(Cl)cc1N(CC(=O)N/N=C(\C)c1cccs1)S(C)(=O)=O 20212050 VZFGPFIHHWYJJW-WOJGMQOQSA-N 415.924 2.717 50 40 HFGB CCCCCCCCCCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)CBr 100119410 CGWIMINMWGKQQT-OAHLLOKOSA-N 419.360 2.782 50 40 HFGB CCOC(=O)[C@@H]1CC[C@@H](CCBr)N1S(=O)(=O)c1ccc(C)cc1 4473361 FAYULWLMCUHXBM-ZFWWWQNUSA-N 404.326 2.865 50 40 HFGB COc1ccc([C@@H]2N(C(=O)CCl)CCN2S(=O)(=O)c2ccc(C)cc2)cc1 4778643 QBQOCEKNGOXTDP-LJQANCHMSA-N 408.907 2.774 50 40 HFGB C=CCOc1ccc([C@H]2[C@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC 20219034 LGBWCQFWJNDJQO-RXVVDRJESA-N 401.470 2.615 50 40 HFGB COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)c2ccccc2C3=O)cc(OC)c1OC 100201252 SBWOMAIQVBBUEN-QGZVFWFLSA-N 418.405 2.853 50 40 HFGB COc1cc(-n2c(=O)c3ccccc3n3c(CCl)nnc23)cc(OC)c1OC 408712608 BBVMDBYUSGFGCA-UHFFFAOYSA-N 400.822 2.798 50 40 HFGB CCN(CC)C(=O)CN1C(=O)/C(=N/NC(=O)c2ccccc2Cl)c2ccccc21 5470489 AEZAEQZIJKORLU-FCDQGJHFSA-N 412.877 2.689 50 40 HFGB N#C/C(=C\c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1)C(=O)Nc1ccccc1 408794359 SBLCJVMRKUDOAY-DILWRCETSA-N 405.454 2.906 50 40 HFGB C/C(=N\NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1)c1ccc(Br)cc1 409109249 AJDKOMDKEVXJIS-XDHOZWIPSA-N 424.320 2.999 50 40 HFGB O=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)N/N=C\c1cccnc1 39986455 QMTLKIVPWQYYJD-JCMHNJIXSA-N 400.504 2.555 50 40 HFGB CCOc1ccc(N([C@H](C)C(=O)N/N=C(\C)c2cccs2)S(C)(=O)=O)cc1 67190034 VEMGTHQFVYAHJD-NFECSFHCSA-N 409.533 2.842 50 40 HFGB Cc1ccc(C)c(NC(=S)NNC(=O)[C@H](C)Cn2cc(Br)cn2)c1 2794719 VJDQRKMHJGMIET-GFCCVEGCSA-N 410.341 2.916 50 40 HFGB COc1cc(/C=N/NC(=O)COc2cc(C)ccc2C)cc(OC)c1OC(C)=O 3578262 RJLBDGJVDCUPRI-SSDVNMTOSA-N 400.431 2.775 50 40 HFGB CCOC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc(OC)c(OC)c1 4502860 VFJGIFCBZGASTH-INIZCTEOSA-N 400.460 2.652 50 40 HFGB Cc1cc(C)c(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NC(C)C)cc2)c(C)c1 6606798 VPRPPERVLCRXFZ-WYMPLXKRSA-N 424.501 2.604 50 40 HFGB CCc1cccc(N2C[C@H](C(=O)NNC(=O)c3cc(Cl)ccc3OC)CC2=O)c1 12933996 VYCLANVXFKAKCJ-CQSZACIVSA-N 415.877 2.725 50 40 HFGB CCOc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)ccc1O[C@H](C)C(=O)O 30753643 PUOZWBXXTUVIGY-WXYNYTDUSA-N 401.375 2.609 50 40 HFGB CCOC(=O)/C(C#N)=C(\O)c1ccc([C@H]2C(=O)c3ccc(C(=O)O)cc3C2=O)cc1 101911850 ILHKYLIMFSUGRD-HMNTXPNISA-N 405.362 2.903 50 40 HFGB CCOc1ccc(NC(=O)C(=O)N/N=C\c2cc(Br)ccc2O)cc1 108559870 BSAFFOPHIMIFGB-GRSHGNNSSA-N 406.236 2.642 50 40 HFGB COc1ccccc1/C=N/NC(=O)[C@H](CC(C)C)NS(=O)(=O)c1ccc(C)cc1 408756112 QWVAJPNDEDJWQW-KWJZBXMYSA-N 417.531 2.847 50 40 HFGB C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(OCC(N)=O)c(Br)c1 408805831 HVQBHMYHAJZQPM-MBLSOGTRSA-N 420.307 2.915 50 40 HFGB Cc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cn2)c(C)n1-c1ccc(C(=O)O)cc1 4663222 MGRSTBNWRHFNIK-LSHDLFTRSA-N 407.386 2.859 50 40 HFGB CCOC(=O)c1ccc(S(=O)(=O)NNC(=O)c2oc3ccccc3c2C)cc1 7380389 ZFVJTSLZYIKCDL-UHFFFAOYSA-N 402.428 2.541 50 40 HFGB CC(=O)N[C@H](CC(=O)NNC(=O)c1ccc(Br)s1)c1ccccc1 8421268 KOCAKYWJQXSZBJ-GFCCVEGCSA-N 410.293 2.539 50 40 HFGB CCN(CC)c1ccc(/C=N/NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)cc1 409122249 ZNJOEIXBSKDSHI-HYARGMPZSA-N 420.510 2.588 50 40 HFGB COC(=O)c1ccc(/C=N/NC(=O)COc2ccc(OC)cc2Br)cc1 1437563 BHKMBMWONFDPPU-KEBDBYFISA-N 421.247 2.773 50 40 HFGB CCOc1ccc(N2C[C@@H](C(=O)NN/C(C)=C/C(=O)c3ccccc3)CC2=O)cc1 4113494 VGMJWNZEGWCGEQ-QCUIPMNBSA-N 407.470 2.846 50 40 HFGB CCNc1ccc(C(=O)N/N=C/c2ccc(N3CCOCC3)s2)cc1[N+](=O)[O-] 4863664 KJZVBCLEIVVWDJ-UDWIEESQSA-N 403.464 2.689 50 40 HFGB Cc1ccc(-c2n[nH]c3c2[C@@]2(C(=O)Nc4ccc([N+](=O)[O-])cc42)C(C#N)=C(N)O3)cc1 9329280 KMRYMLFRCBCNDG-NRFANRHFSA-N 414.381 2.618 50 40 HFGB COc1cc(C=NNC(N)=O)cc(Br)c1OCCOc1ccccc1 15939022 UWMHBUATVKUDGX-UHFFFAOYSA-N 408.252 2.918 50 40 HFGB CCOC(=O)Cn1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2OC)c2ccccc21 409177667 BUBYBSLIALHIFK-SSDVNMTOSA-N 424.413 2.885 50 40 HFGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 8856467 XFFOTGBGXAXFOI-LJQANCHMSA-N 424.457 2.882 50 40 HFGB O=C(CSCc1ccccc1)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1 58915515 PGIJGAFURXNEDM-FYJGNVAPSA-N 414.487 2.815 50 40 HFGB COCCCNC(=O)C(=O)N/N=C/c1ccccc1OCc1ccccc1Cl 408603902 HJKOAFRXTNOBAX-YDZHTSKRSA-N 403.866 2.522 50 40 HFGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)c2cccnc2)cc1 632203 QYSARDYVKVSYBR-ZMOGYAJESA-N 404.426 2.872 50 40 HFGB Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)CNC(=O)Nc1ccccc1 24870848 FCYLCDKCWULQOD-UHFFFAOYSA-N 409.471 2.701 50 40 HFGB C=CCNC(=O)CC(=O)N/N=C\c1cc(C)n(-c2cccc(Br)c2)c1C 58913971 CDRCRVUOSWJJOH-UUYOSTAYSA-N 417.307 2.999 50 40 HFGB O=C(CCCCCN1C(=O)c2ccccc2C1=O)NNC(=O)c1ccc(Cl)cc1 96346528 FONWHVKIXAYKNE-UHFFFAOYSA-N 413.861 2.958 50 40 HFGB Cc1ccccc1Nc1ccc(C(=O)O)cc1/C=N/NC(=O)C(=O)Nc1nccs1 408707167 HMQGXMRWPUYGMP-SSDVNMTOSA-N 423.454 2.982 50 40 HFGB C/C(=C\C(=O)C(F)(F)C(F)(F)C(F)(F)F)NNC(=O)COc1ccccc1 409353965 VSDKZUBPDKZRCT-VQHVLOKHSA-N 402.266 2.992 50 40 HFGB O=C(N/N=C/c1ccccc1OC(F)F)c1cccc(S(=O)(=O)N2CCCC2)c1 3222165 DTEZDSSSMATLCD-LPYMAVHISA-N 423.441 2.836 50 40 HFGB CCOc1cc(/C=N/Nc2nnc(C)n2N)c(C)cc1N(CCCl)CCCl 5845171 WQZWTVWNNZYNII-SRZZPIQSSA-N 414.341 2.737 50 40 HFGB COc1cc(OC)c(/C=N\NC(=O)c2cc([N+](=O)[O-])ccc2O)cc1Br 33560972 ODRLPPIFBWTEJC-LSCVHKIXSA-N 424.207 2.844 50 40 HFGB Cn1/c(=N\NC(=O)c2cccc(CN3C(=O)CSC3=O)c2)sc2ccccc21 104642150 FOIVEPCKAKKVQD-DYTRJAOYSA-N 412.496 2.681 50 40 HFGB COc1cccc(/C=N/NC(=O)C(=O)NC2CC2)c1OCc1c(F)cccc1Cl 408612971 XYVNNQSYLCYOTF-AUEPDCJTSA-N 419.840 2.795 50 40 HFGB COc1cc(/C=N/NC(=O)CN2CCOCC2)ccc1OCc1ccc(Cl)cc1 408735141 KBJWEXIQANAETE-YDZHTSKRSA-N 417.893 2.710 50 40 HFGB CCOc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccc(F)cc2)S(C)(=O)=O)cc1 408906256 DMKSOHWYFMWUAQ-HADWXUJASA-N 407.467 2.529 50 40 HFGB COc1ccc(OC)c([C@@H]2[C@H]3CN(C(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)c1 1299004 IDEYSEQIMFVWJK-PZJWPPBQSA-N 403.486 2.838 50 40 HFGB COc1cc(OC)c(OC)cc1/C=N\NC(=O)c1n[nH]c2c1CCc1ccccc1-2 31841342 BMSMVIHEIJJNTO-FMCGGJTJSA-N 406.442 2.965 50 40 HFGB C/C(CC(=O)NCc1ccco1)=N\NC(=O)COc1ccc(Br)cc1 101394557 AQYVZAIFLASYAF-UDWIEESQSA-N 408.252 2.620 50 40 HFGB COc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(Br)c1O 108351814 GJVZNIJJGQMTIN-NVMNQCDNSA-N 408.208 2.764 50 40 HFGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2cccc3ccccc23)cc1OC 4714285 GFPVSEGLUUTOQU-MFKUBSTISA-N 405.454 2.666 50 40 HFGB Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 4852700 MOGNANYONIOEMQ-NSHDSACASA-N 410.257 2.855 50 40 HFGB C[C@H]1CN(C(=O)/C(C#N)=C2\N=C(NC(=O)c3cccs3)c3ccccc32)C[C@@H](C)O1 11692116 ZYUFZLPIUYDMNY-CICGVWCYSA-N 420.494 2.809 50 40 HFGB CCCOc1ccccc1C(=O)NNC(=S)NC(=O)c1cccc(OCC)c1 12137732 WMBXTEXRRMFYSO-UHFFFAOYSA-N 401.488 2.823 50 40 HFGB CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C\Nc1ccc(O)c(C(=O)O)c1 16693878 SATMHFBKXKDLEY-WQRHYEAKSA-N 403.394 2.795 50 40 HFGB COc1ccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 408779697 IBLQAYPLWLOZCU-RGVLZGJSSA-N 409.895 2.573 50 40 HFGB CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)Nc2cccc(Cl)c2)c1 3231453 LYAZUXGNLDTPOL-UHFFFAOYSA-N 424.910 2.837 50 40 HFGB C/C(=N\NC(=O)c1ccn(Cc2ccc([N+](=O)[O-])cc2)n1)c1ccc([N+](=O)[O-])cc1 8780701 SAVGZFPAJMPZKD-DEDYPNTBSA-N 408.374 2.902 50 40 HFGB Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)NNC(=O)c2ccco2)c1 12604841 YDJFZEJPQGOCHB-UHFFFAOYSA-N 413.455 2.772 50 40 HFGB Cc1cccc(N(CC(=O)N/N=C/c2ccc(OCC(C)C)cc2)S(C)(=O)=O)c1 20207661 RSAYKOFTHPYJOO-LPYMAVHISA-N 417.531 2.946 50 40 HFGB COc1ccc(OC)c(N(CC(=O)NN=C2CCCCCCC2)S(C)(=O)=O)c1 20211139 NVAQRMJCSASEAS-UHFFFAOYSA-N 411.524 2.686 50 40 HFGB CC(C)(C)c1ccc2c(c1)O[C@H](C(=O)N/N=C\c1ccccc1OCC(=O)O)CO2 30750387 IAWQJEKFZOPBGP-BPNSQTJDSA-N 412.442 2.738 50 40 HFGB COc1ccccc1OCC(=O)N/N=C\c1cc([N+](=O)[O-])cc(Br)c1O 409103936 HTCMZJQPOSGMPG-LSCVHKIXSA-N 424.207 2.601 50 40 HFGB COc1ccc(Cl)cc1N1C(=O)C[C@H](NNC(=O)c2ccc(Cl)cc2)C1=O 2656201 AQUZEGPPORWSLF-ZDUSSCGKSA-N 408.241 2.569 50 40 HFGB CC(=O)c1ccc(OCC(=O)NNC(=O)COc2cccc(C(F)(F)F)c2)cc1 3382713 FFERHMVJTAAMCD-UHFFFAOYSA-N 410.348 2.513 50 40 HFGB CC1(C)CC(=O)C2=C(C1)NC(N)=C(C#N)[C@]21C(=O)Oc2cc(Br)ccc21 5464915 MBKMBRRQUZQGCI-IBGZPJMESA-N 414.259 2.546 50 40 HFGB COc1cccc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1OC 5721096 LYSBCIVMCWTBEC-HYLGSWLWSA-N 401.850 2.860 50 40 HFGB Cc1ccc(C(=O)CCC(=O)OCC(=O)NNC(=O)c2ccccc2Cl)cc1 7007278 VOIVEZAOHRWIRD-UHFFFAOYSA-N 402.834 2.616 50 40 HFGB O=C(NNC(=O)c1cc(Br)c[nH]1)c1ccc(-n2cc[nH]c2=S)cc1 40119777 NWYJVEQDNNEXLO-UHFFFAOYSA-N 406.265 2.700 50 40 HFGB O=C(Cc1ccc2c(c1)OCCO2)N/N=C\c1ccccc1I 409360392 FELGJIDPGSHJTB-ODLFYWEKSA-N 422.222 2.755 50 40 HFGB C[C@@H](Oc1ccc(Br)cc1)C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 686974 KTBPZCWRVXJWBW-SNVBAGLBSA-N 408.208 2.586 50 40 HFGB Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3[N+](=O)[O-])S/C2=C(/C#N)C(N)=O)cc1 1887540 GVNLCDLCFJZBBN-MNTXUITRSA-N 408.439 2.815 50 40 HFGB COc1cccc([C@H]2[C@H]3CN(C(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)c1OC 27271204 SGWVXSCLSOPNQM-ICSRJNTNSA-N 403.486 2.838 50 40 HFGB O=C(NN[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1=O)c1ccccc1Cl 100118489 MJGSZPZTKKMDFU-AWEZNQCLSA-N 411.767 2.925 50 40 HFGB C/C(CC(=O)Nc1cccc(C(F)(F)F)c1)=N\NC(=O)C(=O)NCc1ccccc1 100922277 MGHRBDSHPUTNLN-LGJNPRDNSA-N 420.391 2.843 50 40 HFGB Cc1c(C(=O)NN)c2ccccc2n1C(=O)c1ccc(Br)c([N+](=O)[O-])c1 226368108 JULSPADDNPVJMM-UHFFFAOYSA-N 417.219 2.912 50 40 HFGB O=C1[C@H]2[C@@H](C(=O)N1c1cccc(O)c1)[C@@H]1C[C@H]2[C@@H](Br)[C@H]1Br 4015934 LIAJPCACUBPKDT-BCFCROPCSA-N 415.081 2.675 50 40 HFGB COc1cccc([C@@H]2CC(c3ccc(NS(C)(=O)=O)cc3)=NN2C(=O)CCl)c1 79112219 VXJLVYOLQXUOKQ-SFHVURJKSA-N 421.906 2.983 50 40 HFGB COc1ccccc1-c1nnc(SCC(=O)C(C#N)=C2Nc3ccccc3N2)n1N 3291869 BQYGZPLOUBPXQI-UHFFFAOYSA-N 419.470 2.601 50 40 HFGB O=C(NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1)c1ccccc1 6427074 RBNSOLLEKQRQRU-UHFFFAOYSA-N 413.430 2.701 50 40 HFGB CNC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(OC)cc2)C(=O)N1c1cccc(OC)c1 13757977 OHXRZAUDGPMFQM-SBOLGIJOSA-N 423.494 2.876 50 40 HFGB COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@@H]3COC(=O)[C@H]32)OOC4)cc(OC)c1OC 245190516 MYWQJMRXONAHHB-DMSXTEQDSA-N 414.410 2.505 50 40 HFGB COCCNC(=O)/C(C#N)=C/c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1 408801208 SHOWBWIOAFLWGU-HDAKKWKLSA-N 407.470 2.612 50 40 HFGB CCCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(CC)cc2)c1 6647896 GNDRACYYOZGWAM-MFKUBSTISA-N 424.501 2.633 50 40 HFGB COC(=O)Cn1c(C)c(/C=N/NC(=O)c2cc(OC)cc(OC)c2)c2ccccc21 8811232 ZGKLHHXSCXAEKH-FSJBWODESA-N 409.442 2.904 50 40 HFGB Cc1[nH]c(N)nc(=O)c1CCCNc1ccc(/C=C/C2(CCl)OCCO2)cc1 17013401 SJDBIFTWNWYOIS-CMDGGOBGSA-N 404.898 2.700 50 40 HFGB COc1cc(OC)c(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2O)cc1Br 33560973 ODRLPPIFBWTEJC-QGMBQPNBSA-N 424.207 2.844 50 40 HFGB Cc1cc(/C=N\NC(=O)c2cccs2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 33607435 NBAAAKBMNAYIRZ-JAIQZWGSSA-N 402.501 2.567 50 40 HFGB COc1ccc([C@H]2CC(c3cccc(NS(C)(=O)=O)c3)=NN2C(=O)CCl)cc1 36393668 DNMDQIDDWFELOC-GOSISDBHSA-N 421.906 2.983 50 40 HFGB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)Cn1nnc(-c2ccccc2)n1 1088193 KHVIQGITAMSIQM-WSDLNYQXSA-N 420.864 2.638 50 40 HFGB O=C(NN[C@@H]1CC(c2ccccc2O)=NN1C(=O)c1ccccc1)c1ccccc1 1504450 FRODYMFEJXDZPM-NRFANRHFSA-N 400.438 2.903 50 40 HFGB COc1cc(/C=N/NC(=O)CC2(C)SCCS2)cc(Cl)c1OCC(=O)O 4695482 RBPUAGZNVDBUPL-QGMBQPNBSA-N 418.924 2.848 50 40 HFGB O=C1[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C(=O)N1c1ccc(O)cc1 100825954 KKPZIIQFEYLENP-USZNOCQGSA-N 403.070 2.819 50 40 HFGB COc1cc(OC)cc(C(=O)N/N=C(\C)CC(=O)Nc2ccc3c(c2)OCCO3)c1 101538386 VVRYFFMQXQPMCL-YDZHTSKRSA-N 413.430 2.610 50 40 HFGB CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1cc(Cl)c(O)c(OC)c1 408905680 CHEWPSCVFAAPAB-LTNVFZTJSA-N 419.865 2.862 50 40 HFGB Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CCCC2CCCCC2)cc1 6449452 LFRIFQAPJIXDID-UHFFFAOYSA-N 409.552 2.514 50 40 HFGB COc1ccccc1/C=N/NC(=O)CN(c1cccc2ccccc12)S(C)(=O)=O 19955083 SSGBXVLIIKWCCO-HYARGMPZSA-N 411.483 2.765 50 40 HFGB Cc1cc(C)nc(NNC(=O)[C@H]2CC(=O)N(c3ccc(Br)c(C)c3)C2)n1 32795908 MFODCEIHGZVGDF-ZDUSSCGKSA-N 418.295 2.661 50 40 HFGB COc1cc(/C=N/NC(=O)c2ccn(C)n2)ccc1COc1ccc([N+](=O)[O-])cc1 1089094 ZHLJVDJCCVRREN-CIAFOILYSA-N 409.402 2.680 50 40 HFGB Cc1ccc(NCC(=O)N/N=C2/C(=O)N(C)c3ccc(Br)cc32)cc1 5696104 LFJFEVDJHWBJDX-OQKWZONESA-N 401.264 2.666 50 40 HFGB Cc1cccc(OCCOc2cccc(/C=N/NC(=O)Cc3nnc(N)s3)c2)c1 6217273 SMCABQCROKBYMN-LPYMAVHISA-N 411.487 2.579 50 40 HFGB CCOC(=O)C1=C(C(=O)OCC)[C@H](c2cccc(Br)c2)C(C#N)=C(N)O1 8934159 AMKQLJHGJOILIN-CYBMUJFWSA-N 421.247 2.637 50 40 HFGB CCCCOc1cccc(N2/C(=N/C(=O)CCl)S[C@@H]3CS(=O)(=O)C[C@@H]32)c1 8993531 ISOSEWUIBMDVLQ-LTDXQCTPSA-N 416.952 2.706 50 40 HFGB O=C(Cl)[C@@H]1CC(=O)N(c2ccccc2N2CCN(C(=O)c3ccccc3)CC2)C1 57354576 DIGFVWVLZSOHGH-QGZVFWFLSA-N 411.889 2.767 50 40 HFGB Cc1ccc(NCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1C 408996536 IOYFJDASOJXPGJ-YDZHTSKRSA-N 411.462 2.610 50 40 HFGB COc1cccc(CC(=O)N/N=C\c2cc(Br)cc([N+](=O)[O-])c2O)c1 409108090 UZDCKDOXBAFXDW-NVMNQCDNSA-N 408.208 2.764 50 40 HFGB COc1ccc(Br)cc1/C=N/NC(=O)CC(=O)NCCc1ccccc1 4199142 FPNJWBLWABNECO-LPYMAVHISA-N 418.291 2.657 50 40 HFGB CC[C@@H]1CCc2sc(C(=O)NNS(=O)(=O)c3ccc4c(c3)OCCO4)cc2C1 12752982 AOMWTMOQKOFQST-GFCCVEGCSA-N 422.528 2.658 50 40 HFGB Cc1ccc(-c2nc(C(=O)NNC(=O)c3ccccc3)c(N3CCOCC3)o2)cc1 41154305 VLEWXYTWTOUEMO-UHFFFAOYSA-N 406.442 2.561 50 40 HFGB O=C(CCl)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)c(Cl)c1 101314536 HKFQTOILZGTBOC-CVQDRVJJSA-N 413.735 2.834 50 40 HFGB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N/NC(=O)CC2(C)OCCO2)c1C 408591256 SIXKLQIWFWGAML-CIAFOILYSA-N 416.434 2.614 50 40 HFGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cc(C)ccc1C 409256539 LYEDATADROYWMG-ZRWQFTNJSA-N 424.501 2.686 50 40 HFGB O=C(NN[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O)c1cccc(Br)c1 857211 DXBZMULLVYYCIJ-CQSZACIVSA-N 422.666 2.669 50 40 HFGB COc1cc(CC(=O)NNC(=O)c2cc3c(s2)CC[C@H](C)C3)cc(OC)c1OC 5860232 WYNILSTWGZIYDT-LBPRGKRZSA-N 418.515 2.902 50 40 HFGB CSc1ccc(N2C[C@H](C(=O)NNC(=O)c3cc4c(s3)CCC4)CC2=O)cc1 12985563 HOCAYCNCONEIHK-CYBMUJFWSA-N 415.540 2.773 50 40 HFGB COc1ccc(NC(=O)NNC(=O)c2ccc(=O)n(Cc3ccc(C)cc3)c2)cc1 23136187 YCOWWADSRZOKDL-UHFFFAOYSA-N 406.442 2.680 50 40 HFGB Cc1cc(/C=N/NC(=O)c2ccccn2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 59248314 LUHKEFFMOQBUIY-FOKLQQMPSA-N 406.398 2.649 50 40 HFGB COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(C[C@H]4CCCO4)c(=O)c32)c(OC)c1 2255945 MCDOYFQBYVYIAF-QRWLVFNGSA-N 423.469 2.571 50 40 HFGB CCCN1CC=C2[C@@H](C1)[C@H](c1ccc(C(=O)OC)cc1)C(C#N)=C(N)C2(C#N)C#N 33936208 USDIPFAPKZSUDR-UYAOXDASSA-N 401.470 2.609 50 40 HFGB CCN(CC)S(=O)(=O)c1ccc(N/C=C2/C(=O)OC(=O)c3ccccc32)cc1 102587530 UMXYDNWDSQWJGM-QGOAFFKASA-N 400.456 2.867 50 40 HFGB COc1ccc(C(=O)N/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)c(OC)c1 105867907 IQLGAKIPXFCNHY-QGMBQPNBSA-N 424.207 2.844 50 40 HFGB COCCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1Nc1cccc(Cl)c1 408709047 WTASUDXGFKKPJO-SSDVNMTOSA-N 409.273 2.950 50 40 HFGB COCCNC(=O)/C(C#N)=C/c1ccc(OCc2ccc3c(c2)OCO3)c(OC)c1 408794736 BMLRRDPEEJAAQT-RQZCQDPDSA-N 410.426 2.672 50 40 HFGB O=C(NN[C@@H](CNS(=O)(=O)c1ccccc1)c1ccccc1)c1ccc(F)cc1 6550999 JICTUCJOLGFRPL-FQEVSTJZSA-N 413.474 2.780 50 40 HFGB CCn1c(NNC(=O)CCc2nc(-c3ccc(F)cc3)no2)nc2ccccc2c1=O 11162044 SZOJHTXUKJIDCI-UHFFFAOYSA-N 422.420 2.681 50 40 HFGB CN(C)c1ccc(/C=N\NC(=O)CCCC(=O)N/N=C\c2ccc(N(C)C)cc2)cc1 31670073 RAQKZWFGLAHGNY-YFJQDTPYSA-N 422.533 2.589 50 40 HFGB Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)CC(=O)NCC(C)C)cc2)cc1 83261018 YAJYHGOSWLYIBD-QFEZKATASA-N 424.501 2.625 50 40 HFGB CCOc1cc(/C=N/NC(=O)Cc2cccs2)ccc1OCC(=O)N1CCCC1 409206482 OUPHFXGLBXMWKV-HYARGMPZSA-N 415.515 2.841 50 40 HFGB COc1cccc(/C=N/NC(=O)COc2cccc3cccnc23)c1O[C@H](C)C(=O)O 409247403 HBGHELVTCIABDK-REMUQMNCSA-N 423.425 2.624 50 40 HFGB CCOc1cc(/C=C(\C#N)C(=O)NC(C)C)cc(I)c1O 4672540 YQUOFLVBQMKXQG-VZUCSPMQSA-N 400.216 2.827 50 40 HFGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc5c(c4)OCO5)c32)cc1O 8567744 GFIDDVAJKKJSBU-QGZVFWFLSA-N 404.382 2.738 50 40 HFGB O=C1Nc2ccc(Br)cc2/C1=N\NC(=O)c1cc(-c2cccs2)n[nH]1 17160385 JLTLDXARMUTCLF-UHFFFAOYSA-N 416.260 2.987 50 40 HFGB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)NN=C1CCCC1 19949743 STOLIQZCEHJOEB-UHFFFAOYSA-N 416.459 2.836 50 40 HFGB CO[C@H](C(=O)N/N=C/c1ccc(OCC(=O)OCCSC)cc1)c1ccccc1 20248422 LPKDOCYUKNTVCC-ISXGRJCASA-N 416.499 2.809 50 40 HFGB CCc1ccccc1N(CC(=O)N/N=C/c1ccccn1)S(=O)(=O)c1ccccc1 59436926 PWEYGSKOMNUKDO-LFVJCYFKSA-N 422.510 2.990 50 40 HFGB COc1ccccc1/C=N/NC(=O)[C@@H](CC(C)C)NS(=O)(=O)c1ccc(C)cc1 408756251 QWVAJPNDEDJWQW-VZMFNRANSA-N 417.531 2.847 50 40 HFGB N[C@H](Cc1ccc(O)cc1)C(=O)N/N=C/c1ccc(N(CCCl)CCCl)cc1 1688393 WBMLOIZUPQOBPX-ANRKENSESA-N 423.344 2.696 50 40 HFGB O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1cc([N+](=O)[O-])c(Cl)cc1Cl 1445518 CMDAWLVABFBMMO-UFWORHAWSA-N 420.216 2.705 50 40 HFGB O=C(N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O)c1ccc2c(c1)OCO2 4132358 FXANTBUVMRHAKN-UBKPWBPPSA-N 408.164 2.556 50 40 HFGB COc1ccc(CCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1Br 12848094 MXPNARIDVWNQDS-UHFFFAOYSA-N 422.235 2.760 50 40 HFGB COc1cc(/C=C(\C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)cc(O)c1O 13069722 LVPDCDFQQFPLLP-LFIBNONCSA-N 419.441 2.588 50 40 HFGB O=C(NNC(=O)[C@@H]1CCCN(c2nc3ccccc3s2)C1)c1ccc2c(c1)OCO2 40115856 DMPLPEGKDODCSY-CQSZACIVSA-N 424.482 2.703 50 40 HFGB NS(=O)(=O)c1cc(C(=O)N/N=C2/CCSc3ccc(F)cc32)ccc1Cl 59531293 CFZXMVSYEFJSIW-MOSHPQCFSA-N 413.883 2.756 50 40 HFGB Cc1nn(C)c(C)c1[C@H](C)C(=O)NNC(=O)[C@@H](C)Oc1cccc(Br)c1 62580335 ACBLUEVCFJGPQU-GXFFZTMASA-N 423.311 2.518 50 40 HFGB CN(C)S(=O)(=O)c1cc(N/C=C2/C(=O)OC(=O)c3ccccc32)ccc1Cl 102589426 PKCJSJPZWOGCBV-GXDHUFHOSA-N 406.847 2.740 50 40 HFGB N#Cc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OCC(=O)O)c(F)c1 408963769 ASGYDCWVQGZJES-ODCIPOBUSA-N 420.194 2.687 50 40 HFGB O=C(COc1ccc(/C=N\NC(=O)c2ccc(Cl)cc2)cc1)NC[C@H]1CCCO1 58882968 UHKIALVEWHRIAD-HRGKPLJHSA-N 415.877 2.778 50 40 HFGB COc1ccccc1/C=N/NC(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O 408767982 RQWISRKJDMOVBH-RGVLZGJSSA-N 409.895 2.573 50 40 HFGB CCC(NC(=O)NNS(=O)(=O)c1ccc(C)cc1)(C(F)(F)F)C(F)(F)F 3189019 ZGNSRLRWMPNAMJ-UHFFFAOYSA-N 407.336 2.761 50 40 HFGB biogenic CCc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 6542816 CLKPBCWDDVJEPV-LPYMAVHISA-N 401.532 2.945 50 40 HFGB C[C@H]1CCc2sc(C(=O)NNC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2C1 9128422 WTRZJYPUJUTUIX-VIFPVBQESA-N 404.404 2.764 50 40 HFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(Cl)cc1)c1ccc(Cl)cc1 19954206 XYTXFBFJYXHJAS-VXLYETTFSA-N 400.287 2.910 50 40 HFGB CCOc1ccccc1N(CC(=O)N/N=C(\C)CCc1ccccc1)S(C)(=O)=O 408787007 ZRMJLLZUBXWOLJ-OQKWZONESA-N 417.531 2.976 50 40 HFGB COc1ccccc1-n1nc(C(=O)N/N=C\c2cccc(Cl)c2)c(C)c(C#N)c1=O 409055645 CTYRTUNOADAJRA-MSXFZWOLSA-N 421.844 2.839 50 40 HFGB O=C(O)COc1ccc(Br)cc1/C=N\NC(=O)Cc1ccc(F)cc1 409248637 HNBQXGODOJIXQX-UKWGHVSLSA-N 409.211 2.744 50 40 HFGB O=C(CCCOc1ccc(Cl)cc1Cl)N/N=C1/C(=O)N(CO)c2ccccc21 9871902 KERUWWNBRHXYCC-PTGBLXJZSA-N 422.268 2.969 50 40 HFGB CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccncc2)cc1 12137341 VYMKYVJLORMUQR-UHFFFAOYSA-N 400.504 2.990 50 40 HFGB C=CCNc1sc2c3c(c(=O)[nH]c2c1C#N)[C@H](c1ccncc1)C(C#N)=C(N)O3 15082910 DCGBQCBNSFYGDD-CYBMUJFWSA-N 402.439 2.672 50 40 HFGB CCOC(=O)C1=C(CCl)OC(N)=C(C#N)[C@@H]1c1ccc(OC)c(OC)c1OC 1480513 IXHRASHBXZHEAY-AWEZNQCLSA-N 408.838 2.576 50 40 HFGB COCCOC(=O)/C(C#N)=C/c1ccc(OCc2ccc(C(=O)O)o2)c(OC)c1 6380214 ATJAUBLQVPHQKC-NTEUORMPSA-N 401.371 2.662 50 40 HFGB COc1cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)c(O)c([N+](=O)[O-])c1 408526187 AWCHVYLSMVIEDQ-GZIVZEMBSA-N 412.324 2.890 50 40 HFGB CCCOc1c(I)cc(/C=C(/C#N)C(=O)NC)cc1OC 409005204 DQVMLIVFVFDHNJ-WDZFZDKYSA-N 400.216 2.742 50 40 HFGB COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Br)c1OCC(=O)O 409191646 ZULRRWPZKJVKIU-SDQBBNPISA-N 423.263 2.887 50 40 HFGB COc1ccc(C(=O)N2CCC(C(=O)N/N=C/c3ccc(N(C)C)cc3)CC2)cc1 1095068 JKLLYTQLSZTYQU-LFVJCYFKSA-N 408.502 2.764 50 40 HFGB CN(CC(=O)N/N=C/c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1 6544531 ZIIVMBVVVYXFFD-VXLYETTFSA-N 400.287 2.764 50 40 HFGB CCOc1ccc(N2C[C@@H](C(=O)N/N=C/c3ccc(OC)cc3OC)CC2=O)cc1 6962984 PMCUAMPEVBNORA-OHHQFBAHSA-N 411.458 2.606 50 40 HFGB O=C(NNC(=O)[C@@H]1COc2ccccc2O1)c1ccc(OCc2ccccc2)cc1 9882990 MSMAUUNGLVDJPD-NRFANRHFSA-N 404.422 2.867 50 40 HFGB COc1ccc(CC(=O)N/N=C(\C)CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 100929959 YHFVMLOCEXDDBW-LPYMAVHISA-N 414.418 2.675 50 40 HFGB O=C([C@@H](I)c1ccc(Br)cc1)N1CCOCC1 3213796 YCHFGKZLPVCTNW-NSHDSACASA-N 410.049 2.784 50 40 HFGB COc1ccc(S(=O)(=O)NNC(=O)c2cc3c(s2)CCCCC3)cc1OC 7404867 NUKYGIUZEGIZKQ-UHFFFAOYSA-N 410.517 2.658 50 40 HFGB NC(=O)N[C@@H](CC(=O)NNC(=O)c1ccco1)c1cccc(Oc2ccccc2)c1 7653525 ONTAKOUOMZOZCG-KRWDZBQOSA-N 408.414 2.633 50 40 HFGB O=C([C@H](I)c1ccc(Br)cc1)N1CCOCC1 3213797 YCHFGKZLPVCTNW-LLVKDONJSA-N 410.049 2.784 50 40 HFGB O=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)N/N=C\c1ccccn1 16491170 AGYSPCOOMYDBTP-JCMHNJIXSA-N 400.504 2.555 50 40 HFGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 20209657 LWOSEJWWVQMURQ-FYJGNVAPSA-N 421.906 2.821 50 40 HFGB COc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(C)n(Cc3ccccn3)c(=O)c21 37868704 KPMFOWCPVGLLKH-FQEVSTJZSA-N 400.438 2.827 50 40 HFGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc(Br)c1O 59101855 KFSCVFUDYHLXHS-AWQFTUOYSA-N 424.226 2.781 50 40 HFGB N#C/C(=C\c1cc(Br)ccc1OCC(N)=O)C(=O)Nc1ccc(F)cc1 409227750 WEMKHSVUHTXQEG-KPKJPENVSA-N 418.222 2.998 50 40 HFGB COc1cc(/C=N/NC(=O)c2cccnc2)ccc1OC(=O)c1ccc2c(c1)OCO2 975653 LVHBRQWIKFCAFB-BHGWPJFGSA-N 419.393 2.802 50 40 HFGB COc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(C)n(CCCn3ccnc3)c(=O)c21 1471849 YQJOIICSDOBTGW-FQEVSTJZSA-N 417.469 2.670 50 40 HFGB CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2O)cc([N+](=O)[O-])c1O 14408622 GNUNSVLHDLBXAS-QGMBQPNBSA-N 424.207 2.931 50 40 HFGB C#CCN1C(=O)/C(=N/NC(=O)COc2cc(Cl)ccc2Cl)c2ccccc21 18194829 WQWLCYNMVFDCCB-PTGBLXJZSA-N 402.237 2.873 50 40 HFGB Cc1ccc(N(CC(=O)N/N=C/c2ccncc2)S(=O)(=O)c2ccccc2)cc1 408830411 MTCRXWPRRJZTLI-HZHRSRAPSA-N 408.483 2.736 50 40 HFGB Cc1ccc(NC(=S)NNC(=O)[C@H](C)Cn2cc(Br)cn2)c(C)c1 2795341 JURBPQJVFQKMPQ-GFCCVEGCSA-N 410.341 2.916 50 40 HFGB CCn1c2ccccc2c2nnc(S[C@H](C)C(=O)NNC(=O)c3ccccc3)nc21 8721006 MTNNJKSBAPIPLL-CYBMUJFWSA-N 420.498 2.941 50 40 HFGB N#CC(C#N)=C(Nc1ccccc1)S[C@H]1CC(=O)N(c2ccc(C(N)=O)cc2)C1=O 13573574 CGECJORRASYSQK-KRWDZBQOSA-N 417.450 2.521 50 40 HFGB CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(Br)s3)[C@H]2C1 16034415 XWHGWLWVQHNFFY-WFASDCNBSA-N 400.305 2.866 50 40 HFGB COc1cccc(Cn2nc(C)c(/C=N/NC(=O)Cn3nc(C)cc3C)c2Cl)c1 33045816 KSHQKGPFHKXMKI-LSHDLFTRSA-N 414.897 2.865 50 40 HFGB COc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c(Br)cc1O 108355825 BQZGJAWLPIPMQS-NVMNQCDNSA-N 408.208 2.764 50 40 HFGB CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(Br)o1 408906509 CDBBRHGQXGDLKH-YRIIZNAFSA-N 408.252 2.850 50 40 HFGB COc1ccc(/C=N/NC(=O)C(=O)NCc2ccc(Cl)cc2Cl)c(OC)c1 5513236 GYUHRIGZEUVWHF-LSHDLFTRSA-N 410.257 2.777 50 40 HFGB O=C(COc1ccc(Cl)cc1)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1 4320391 SECLFADOOJGJOI-CIAFOILYSA-N 418.837 2.614 50 40 HFGB COc1ccc(CC(=O)N/N=C(\C)CC(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC 100923064 ZZOISGFUMLYPOK-LPYMAVHISA-N 414.418 2.675 50 40 HFGB O=C(CN1C(=O)c2ccccc2S1(=O)=O)NN(c1ccccc1)c1ccccc1 3369954 HGFKNKRTUSBFCS-UHFFFAOYSA-N 407.451 2.701 50 40 HFGB N#C/C(=C\c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1)C(=O)NCc1ccccc1 5006569 VTZQXJAAXYCNRI-WVWKGNOCSA-N 419.481 2.584 50 40 HFGB CCn1nc(C(=O)NNC(=O)C2(c3cccc(Cl)c3)CC2)c2ccccc2c1=O 12893961 QLPFEARMOKCHFD-UHFFFAOYSA-N 410.861 2.563 50 40 HFGB C=C1C(=O)O[C@H]2/C=C(\COC(C)=O)CC/C=C(\C=O)C[C@H](OC(=O)CC(C)C)[C@@H]12 100064114 SLDSEAYVUCFJOD-QRXIDLSASA-N 404.459 2.841 50 40 HFGB biogenic,in-vitro COc1ccc(NC(=S)NNC(=O)c2cc3cc([N+](=O)[O-])cc(OC)c3o2)cc1 408586697 PSOCRDLGWPBXGO-UHFFFAOYSA-N 416.415 2.990 50 40 HFGB CCCCOc1ccccc1C(=O)NNC(=S)NC(=O)c1ccccc1[N+](=O)[O-] 2064494 SHKJQTZTCDTSSK-UHFFFAOYSA-N 416.459 2.723 50 40 HFGB CCCOc1ccc([C@@H]2[C@@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC 20000604 WLIRNOIIACLERB-WIYYLYMNSA-N 403.486 2.839 50 40 HFGB O=C(COC(=O)[C@@H]1[C@H]2C(=O)O[C@H]3[C@@H]2C[C@H]1[C@H]3Br)c1ccc(Cl)cc1 102634993 FAIPMBWJCYMTIR-BFUSDRCBSA-N 413.651 2.637 50 40 HFGB COc1ccc(N2C[C@@H](C(=O)NNC(=O)c3ccc(Cl)c(Cl)c3)CC2=O)cc1 408616625 ZQJCLMYNTJPNOX-LBPRGKRZSA-N 422.268 2.816 50 40 HFGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N/NC(=O)c3ccccc3C)o2)cc1 408784926 WTPIVKWWBBXXID-AFUMVMLFSA-N 418.453 2.915 50 40 HFGB O=C(N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O)c1ccc2c(c1)OCO2 4673332 YYHSNEGSSBLNLA-UBKPWBPPSA-N 408.164 2.556 50 40 HFGB CO[C@@H](C(=O)N/N=C/c1ccc(OCC(=O)NCc2ccco2)cc1)c1ccccc1 28214430 GTAQTHRDMSFKJK-FDCKDHBTSA-N 421.453 2.813 50 40 HFGB O=C(Cn1cccn1)NNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1 32843321 BEIIWQVFHFMYJZ-UHFFFAOYSA-N 406.471 2.513 50 40 HFGB CCc1ccc(/C=N\NC(=O)CN(C)S(=O)(=O)c2ccc(OC)c(Cl)c2)cc1 33784617 CZEDEEVLXHEWEG-MTJSOVHGSA-N 423.922 2.682 50 40 HFGB Cc1nn(C)c(C)c1[C@@H](C)C(=O)NNC(=O)[C@@H](C)Oc1cccc(Br)c1 62580334 ACBLUEVCFJGPQU-ZWNOBZJWSA-N 423.311 2.518 50 40 HFGB COc1ccccc1/C=N/NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 706271 AZBVSWWNFJBURJ-PXLXIMEGSA-N 415.515 2.555 50 40 HFGB O=C(NNC(=O)[C@H]1COc2ccccc2O1)c1ccc(OCc2ccccc2)cc1 9882991 MSMAUUNGLVDJPD-OAQYLSRUSA-N 404.422 2.867 50 40 HFGB CCn1c(NNC(=O)c2[nH]c(C)c(C(=O)OC(C)C)c2C)nc2ccccc2c1=O 11159076 LXRAURGUELKVEB-UHFFFAOYSA-N 411.462 2.683 50 40 HFGB C=CCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 408601878 CBRRCXWQAYYWNX-FSJBWODESA-N 401.850 2.680 50 40 HFGB Cc1ccccc1OCCOc1cccc(/C=N/NC(=O)Cc2nnc(N)s2)c1 2305376 GMTLMFNSJNJIFF-LPYMAVHISA-N 411.487 2.579 50 40 HFGB CC(C)(C)OC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccnc3)[C@H]2C1 4083183 RQEJNDVQCMTJEN-ZWKOTPCHSA-N 402.458 2.742 50 40 HFGB COCCNC(=O)/C(C#N)=C/c1c(Oc2cc(C)cc(C)c2)nc2ccccn2c1=O 4205497 GTPVUWNSHHZXJV-GHRIWEEISA-N 418.453 2.773 50 40 HFGB CCN(CC)S(=O)(=O)c1cc(C(=O)NNC(=O)c2cccs2)ccc1Cl 6451846 OVLLMDQVIBOJMM-UHFFFAOYSA-N 415.924 2.507 50 40 HFGB CCCCOc1cccc(N2/C(=N/C(=O)CCl)S[C@H]3CS(=O)(=O)C[C@@H]32)c1 8993529 ISOSEWUIBMDVLQ-PFANNTFUSA-N 416.952 2.706 50 40 HFGB CCOc1ccc(C(=O)NNC(=O)[C@@H]2CC(=O)N(c3ccc(SC)cc3)C2)cc1 12741485 XCJZRECPBJVTKZ-OAHLLOKOSA-N 413.499 2.621 50 40 HFGB CC(C)COc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(C)(=O)=O)cc1 20207271 WCJZOTOEEFKRRL-FYJGNVAPSA-N 403.504 2.638 50 40 HFGB COc1cccc(C2=N[C@](NC(=O)c3ccc(C)cc3)(C(Cl)Cl)C(=O)N2)c1 101434727 GSAFQPICCABIGY-IBGZPJMESA-N 406.269 2.810 50 40 HFGB Cc1cc(C)n(CCC(=O)N/N=C2\C(=O)N(Cc3ccccc3)c3ccccc32)n1 5442491 UAZPQZAOWPNSMU-LVWGJNHUSA-N 401.470 2.957 50 40 HFGB COCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](Cc2ccccc2)C(=O)OC)c1C 25065520 JQOMAGPSWGDQQQ-UKQGIEBLSA-N 409.486 2.559 50 40 HFGB O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)c1ccc(Cl)cc1Cl 408615250 NZFIFWGZWJZBAN-SNVBAGLBSA-N 410.232 2.947 50 40 HFGB Cc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(C)C)cc1)S(C)(=O)=O 409185853 RJPGHGYLRJIWGF-LPYMAVHISA-N 417.531 2.946 50 40 HFGB COC(=O)N/N=C/c1ccc(OCCOc2ccc(NC(C)=O)cc2)c(OC)c1 41082712 NWRSIYORYVAPQZ-FYJGNVAPSA-N 401.419 2.801 50 40 HFGB COCCCNC(=O)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1 408610423 UEZRMYUTBGMKCG-YDZHTSKRSA-N 403.866 2.522 50 40 HFGB Cc1cc(N2CCOCC2)ccc1/C=N/NC(=O)CSc1ccc([N+](=O)[O-])cc1 409074978 WALXHQSVTQHLDW-FYJGNVAPSA-N 414.487 2.982 50 40 HFGB COc1cc2c(cc1OC)C1=C[C@]3(C(=O)Nc4c(C)cccc43)C(C#N)=C(N)N1CC2 5485737 QGHQUILKXUGBDV-XMMPIXPASA-N 414.465 2.809 50 40 HFGB COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NNC(C)=O)C2=O)cc1 5554931 HIWXSLNUSZOTIY-VBKFSLOCSA-N 421.544 2.624 50 40 HFGB CCn1c(C)nc2cc(C(=O)NNC(=O)c3ccc(OC[C@H]4CCCO4)cc3)ccc21 6510738 IUZGCXBLXZRJRA-LJQANCHMSA-N 422.485 2.997 50 40 HFGB CC(C)Oc1ccc(C(=O)NNC(=O)CCNC(=O)c2ccc(Cl)cc2)cc1 9883814 BMULSHGIJJYNNA-UHFFFAOYSA-N 403.866 2.708 50 40 HFGB COc1cc(C(=O)NNC(=O)[C@H](C)Oc2cccc(C)c2C)cc(OC)c1OC 12823181 ZFVBNQNGZRWKBW-AWEZNQCLSA-N 402.447 2.558 50 40 HFGB CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)c1 24713827 BGMOBAHYMMMRBU-QZTJIDSGSA-N 421.563 2.717 50 40 HFGB CCN(CC)c1ccc(/C=N/NC(=O)CN2C[C@@H](c3ccccc3)CC2=O)c(O)c1 59639309 KHPCMUVMRQUCFP-OEBVFIGYSA-N 408.502 2.705 50 40 HFGB COc1cccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)c1 408784109 SPNIHQPIXMIAPP-RGVLZGJSSA-N 409.895 2.573 50 40 HFGB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)[C@H]1CCCC[C@@H]1C(=O)O 17082601 JAUAZQISBASICJ-USWWRNFRSA-N 403.262 2.799 50 40 HFGB CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(F)c(Br)c3)[C@H]2C1 36006154 NWFFSTCEUOZPMC-YOEHRIQHSA-N 412.266 2.943 50 40 HFGB Cc1ccc2[nH]c(C)c(CC(=O)NNC(=O)CCC(=O)Nc3ccc(C#N)cc3)c2c1 4677090 LQNBMJWLIKHNFE-UHFFFAOYSA-N 417.469 2.765 50 40 HFGB COC(=O)c1cc(OC)c(OC)cc1N/C=C(\C#N)C(=O)Nc1ccc(OC)cc1 7572375 DIIVZPAWIJLASQ-OUKQBFOZSA-N 411.414 2.957 50 40 HFGB COc1ccc(C(=O)Nc2nnc(CC(=O)N/N=C/c3cccc(C)c3)s2)cc1 17045606 ZMIXFJVCTRGCPF-CIAFOILYSA-N 409.471 2.800 50 40 HFGB COc1cccc(/C=N/NC(=O)C(=O)NC2CC2)c1OCc1ccccc1Cl 408612382 VDWBEKMREVWOOS-SSDVNMTOSA-N 401.850 2.656 50 40 HFGB COc1ccc(CC(=O)N/N=C\c2cc(Br)c(N3CCOCC3)o2)cc1 408945281 NTEYLMVVWMHEJL-NDENLUEZSA-N 422.279 2.580 50 40 HFGB O=C(N/N=C/c1ccc(I)cc1)C(=O)Nc1cccc(F)c1 3151134 DFXKBBQXAQLLFQ-GIJQJNRQSA-N 411.174 2.519 50 40 HFGB COc1cc(C(=O)NNC(=O)[C@@H](C)Oc2cccc(C)c2C)cc(OC)c1OC 12823179 ZFVBNQNGZRWKBW-CQSZACIVSA-N 402.447 2.558 50 40 HFGB O=C(NNC(=O)c1csc(COc2ccc(F)cc2)n1)c1ccc2c(c1)OCO2 13011657 IPFDNWRNTQUSLP-UHFFFAOYSA-N 415.402 2.665 50 40 HFGB O=C(NNC(=O)c1ccc(=O)[nH]c1)c1ccc(CSc2nc3ccccc3[nH]2)cc1 13930290 ALGIOUGYCOQDLR-UHFFFAOYSA-N 419.466 2.618 50 40 HFGB C#CCOc1ccccc1CNC(=O)NNC(=O)c1ccc(Br)s1 83812716 YASLGTOFFXIGSV-UHFFFAOYSA-N 408.277 2.667 50 40 HFGB O=C1[C@@H]2[C@@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C(=O)N1c1cccc(O)c1 100749091 LIAJPCACUBPKDT-FXGIYHRPSA-N 415.081 2.675 50 40 HFGB CCOCCOCCO[C@@]12C(=O)C(Cl)=C(Cl)C(=O)[C@]13[C@H]1C[C@H]2[C@@H](Cl)[C@H]13 103835311 RKQLZICUXNCADK-NUSYNEPHSA-N 409.693 2.509 50 40 HFGB Cc1ccc(N2C[C@H](C(=O)NNC(=O)c3cccc(Br)c3)CC2=O)cc1 408615268 OFHPSVIWGGQWJK-CQSZACIVSA-N 416.275 2.572 50 40 HFGB COc1ccc(/C(C)=N/NC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 408783289 NVIOXXZBGKHWQB-KGENOOAVSA-N 423.922 2.963 50 40 HFGB CN1C(=O)/C(=N\NC(=O)c2cc(Cl)ccc2O)c2cc(Br)ccc21 6320591 MNTYGNSCCOBVIH-RGEXLXHISA-N 408.639 2.919 50 40 HFGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NC2CCCCC2)cc1)Nc1ccccc1 58873443 RMJJJJDEWKEQMQ-BUVRLJJBSA-N 422.485 2.603 50 40 HFGB COCCNC(=O)C(=O)N/N=C/c1cccc(OCc2c(Cl)cccc2Cl)c1 408612396 YIKNNAGJQJLDBO-FOKLQQMPSA-N 424.284 2.785 50 40 HFGB CCN(CC)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)COc1ccccc1OC 408993781 FSQZECOTWJZWFF-FYJGNVAPSA-N 400.435 2.979 50 40 HFGB COc1ccc(C(=O)N2CCC(C(=O)N/N=C/c3ccc(F)cc3)CC2)cc1OC 409007522 XJMXRJAUSZSKHF-ZVHZXABRSA-N 413.449 2.845 50 40 HFGB CCn1c(SCC(=O)N/N=C/c2ccc(O)cc2O)nnc1-c1ccc(C)cc1 1474353 HDCOVBKRLIUEEG-SRZZPIQSSA-N 411.487 2.927 50 40 HFGB Cc1cc(OCC(=O)NNC(=S)NC(=O)c2ccc(F)cc2)cc(C)c1Cl 2135961 LILMKOFONSRFDI-UHFFFAOYSA-N 409.870 2.810 50 40 HFGB Cc1ccc(C(=O)Nc2nnc(CC(=O)N/N=C/c3cccc([N+](=O)[O-])c3)s2)cc1 3056511 NRNJGSMJHQHBEL-RGVLZGJSSA-N 424.442 2.700 50 40 HFGB O=C(NNC(=O)c1ccc2c(c1)OCO2)c1ccc(NC(=O)c2cccs2)cc1 12909909 NSVMKKQKGNTWKH-UHFFFAOYSA-N 409.423 2.804 50 40 HFGB CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)NNC(=S)NC1CCCCC1 28631552 QZJHIFGLVXWWCF-INIZCTEOSA-N 412.506 2.547 50 40 HFGB CCOc1ccc(N([C@@H](C)C(=O)N/N=C(\C)c2ccccc2)S(C)(=O)=O)cc1 408922033 OLAKTVXSLWNGCP-WASCAKKMSA-N 403.504 2.780 50 40 HFGB Cc1ccc(OCC(=O)N/N=C2\C(=O)Nc3ccc(C)c(Br)c32)cc1 18067729 PUUHHJLTSIMRKS-UHFFFAOYSA-N 402.248 2.917 50 40 HFGB CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(F)c(F)c3)[C@H]2C1 4631552 ITTNLRKYYLRIGL-MAUKXSAKSA-N 409.396 2.847 50 40 HFGB O=C(COc1ccc(I)cc1)N/N=C/c1ccc2c(c1)OCO2 9948943 LGOMQIWHCNDYKP-QGMBQPNBSA-N 424.194 2.549 50 40 HFGB O=C(NNS(=O)(=O)c1cccc2nsnc12)c1cc2c(s1)CCCCC2 19110043 HXJBYLLCUJPQPZ-UHFFFAOYSA-N 408.530 2.645 50 40 HFGB C/C(=N\NC(=O)CN(c1ccccn1)S(=O)(=O)c1ccccc1)c1cccs1 20213511 UHGOYYMUFYDTDV-RCCKNPSSSA-N 414.512 2.879 50 40 HFGB Cc1ccccc1N(CC(=O)N/N=C/c1ccccc1Br)S(C)(=O)=O 58918953 DASHVCFLOYPMOS-YBFXNURJSA-N 424.320 2.674 50 40 HFGB COc1cccc(/C=C(/C#N)C(=O)N2CCOCC2)c1OCc1ccc(C(=O)O)cc1 409187222 NNZZXUHSATYRNJ-UYRXBGFRSA-N 422.437 2.738 50 40 HFGB O=C(N/N=C/c1ccccc1O)c1cccc(C(=O)N/N=C/c2ccccc2O)c1 1458108 XBRCDKIFCMGHOK-RNIAWFEPSA-N 402.410 2.626 50 40 HFGB Cn1c(SCC(=O)N/N=C/c2cccs2)nnc1-c1cccc([N+](=O)[O-])c1 1865464 LBEUETNKFRTWTL-RQZCQDPDSA-N 402.461 2.694 50 40 HFGB Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=N/NC(=O)Cn1nnc2ccccc21 3241781 WTVXQOXDVDTODE-LSHDLFTRSA-N 411.828 2.868 50 40 HFGB Cc1cc(C)c(NCC(=O)NNC(=O)C[C@](O)(c2ccco2)C(F)(F)F)c(C)c1 12554470 LHQQXPFBCVKGGH-SFHVURJKSA-N 413.396 2.604 50 40 HFGB COc1ccc(-c2nnc(S[C@@H](C)C(=O)NNC(=O)c3ccc(C)cc3)o2)cc1 868692 RDGIHWSDRTVXGL-ZDUSSCGKSA-N 412.471 2.995 50 40 HFGB COc1ccc(Cl)cc1C(=O)NNC(=O)c1ccc(OC[C@H]2CCCO2)cc1 3322324 MKSVKEIVNQHXBF-MRXNPFEDSA-N 404.850 2.981 50 40 HFGB Cc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NCC(C)C)cc1C 6865839 CWICRCWMKMUQQH-DHRITJCHSA-N 424.501 2.543 50 40 HFGB O=C(COC(=O)c1cccnc1Sc1ccccc1)NNC(=O)c1ccccc1 7984147 RSQONDBDWDHJPL-UHFFFAOYSA-N 407.451 2.851 50 40 HFGB O=C(NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)c1ccc2[nH]cnc2c1 9493197 BNDYZNXXRYOLRO-UHFFFAOYSA-N 423.436 2.885 50 40 HFGB Cc1ccc(NC(=O)N/N=C/c2cn(CC(=O)N3CCOCC3)c3ccccc23)cc1 408845515 GGJJYDHTGBSFDL-ZVHZXABRSA-N 419.485 2.964 50 40 HFGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N/NC(=O)c3ccco3)o2)cc1C 408877633 WLZFLIWRZANFEM-FSJBWODESA-N 408.414 2.508 50 40 HFGB COc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1Cn1cc([N+](=O)[O-])cn1 2102187 DFKMKGSONGQPSE-AWQFTUOYSA-N 424.373 2.520 50 40 HFGB CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(I)cc1 3148474 CVEGOBXSIYUKRT-YBFXNURJSA-N 421.238 2.942 50 40 HFGB COc1ccc(/C=N/NC(=O)Cc2nnc(NC(=O)c3ccccc3C)s2)cc1 8767964 AIUDPOSYEVJOCA-CIAFOILYSA-N 409.471 2.800 50 40 HFGB COc1ccc(/C=N\NC(=O)c2ccccc2O)cc1Cn1nc(C)c([N+](=O)[O-])c1C 33333828 QCZSCSORZGQFCQ-JJFYIABZSA-N 423.429 2.935 50 40 HFGB CCOc1ccc(CN(C)CC(=O)NNC(=O)c2ccc(Cl)cc2)cc1OC 3584202 IMENPDKZPXNRAN-UHFFFAOYSA-N 405.882 2.640 50 40 HFGB COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(=O)[nH]c2ccccc32)c(OC)c1OC 6667991 RYTFXKISKKYXED-INIZCTEOSA-N 405.410 2.772 50 40 HFGB O=C(CSc1nnc(COc2ccccc2Cl)o1)NNC(=O)c1cccs1 12921301 NVEAHXDFIZBSNP-UHFFFAOYSA-N 424.891 2.917 50 40 HFGB Cn1nc(C(=O)NNC(=O)Cc2ccc(-c3ccccc3)cc2)c2ccccc2c1=O 12931756 JTURIQBEBPHVNM-UHFFFAOYSA-N 412.449 2.604 50 40 HFGB O=C1CSc2ccc(C(=O)NNC(=O)c3ccc(COc4ccccc4)o3)cc2N1 23979102 GDWFMMWTLKITKN-UHFFFAOYSA-N 423.450 2.978 50 40 HFGB C/C(=N\NC(N)=O)[C@@H](CN(C)C)[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 31841767 FPMUAHAGBPYEFC-OROPEDOYSA-N 422.485 2.853 50 40 HFGB Cc1cc(C(=O)NNC(=O)Cn2c(=O)n(C3=CCCCC3)c3ccccc32)c(C)o1 40128824 DGHPRPFQMPLZCD-UHFFFAOYSA-N 408.458 2.889 50 40 HFGB C=CCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1ccccc1 408706783 DQGJLRUFRAYJDA-CIAFOILYSA-N 401.264 2.945 50 40 HFGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(C[C@@H]4CCCO4)c(=O)c32)c(OC)c1 2255948 MCDOYFQBYVYIAF-MGPUTAFESA-N 423.469 2.571 50 40 HFGB O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)NNC(=O)c1ccccc1 8820385 VREYTTQMMSFBNT-DESBJYGPSA-N 423.519 2.905 50 40 HFGB O=C(COc1cccc(Br)c1)N/N=C\c1ccc(N2CCOCC2)cc1 38164121 RBLPYPHINCDBGL-BKUYFWCQSA-N 418.291 2.815 50 40 HFGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2C)cc(Br)c1O 8571294 RUEUJUDSBISLPK-DJKKODMXSA-N 406.236 2.561 50 40 HFGB CCOc1cc(/C=N/NC(=O)CCN2CCN(c3ccccc3)CC2)ccc1OC 13135509 VOTWIROANKSHHN-HKOYGPOVSA-N 410.518 2.756 50 40 HFGB C/C(=N\NC(=O)c1ccc(C(=O)N/N=C(\C)c2ccc(O)cc2)o1)c1ccc(O)cc1 17092145 TWSFFYZQIPMMDK-RNIAWFEPSA-N 420.425 2.999 50 40 HFGB COc1ccc(N(CC(=O)N/N=C(\C)c2cccs2)S(C)(=O)=O)cc1Cl 20213229 SHCCQMXEAWOPBF-WOJGMQOQSA-N 415.924 2.717 50 40 HFGB O=C1Nc2ccccc2/C1=N\NC(=O)c1ccc(N/N=C2/C(=O)Nc3ccccc32)cc1 23740125 MRONJDOPGPVARB-UHFFFAOYSA-N 424.420 2.541 50 40 HFGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN3CCCCC3)cc2)cc1 28214315 XNUQSBHLGCHVGJ-BUVRLJJBSA-N 424.501 2.649 50 40 HFGB COc1ccc([C@@H]2C(C#N)=C(N)N(N3CCOCC3)C3=C2C(=O)CC(C)(C)C3)cc1 690890 VNLFPEBJALPVSE-HXUWFJFHSA-N 408.502 2.679 50 40 HFGB CCCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(C)c(C)c1 6428434 KKBWEXCWOWQWQI-AFUMVMLFSA-N 424.501 2.687 50 40 HFGB Cc1ccc(S(=O)(=O)NNC(=O)c2cnn(-c3ccccc3)c2-n2cccc2)cc1 8672087 QVVUVMSPQCFDOR-UHFFFAOYSA-N 421.482 2.595 50 40 HFGB C/C(=N/NC(=O)c1nnn(-c2nonc2N)c1-c1ccccc1)c1ccccc1Cl 13648472 AZDRXNMIXBCPNQ-JJFYIABZSA-N 422.836 2.707 50 40 HFGB Cc1cc(/C=N/NC(=O)CN2CCOCC2)c(C)n1-c1ccccc1Br 20241277 MGBVGQORIHIIES-CIAFOILYSA-N 419.323 2.639 50 40 HFGB N#C/C(=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)NCCCN1CCOCC1 27061943 OHWYREQWWSXXCX-VKAVYKQESA-N 410.430 2.600 50 40 HFGB C[C@H]1N[C@]2(C(=O)N(CCCCl)c3ccccc32)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12 100178042 FOTDVXWAZNZAMW-HHYGYBFDSA-N 423.900 2.655 50 40 HFGB CCOc1cc(/C=N/NC(=O)c2ccccn2)cc(I)c1O 2338931 GILCKLPXWPYUHD-GIJQJNRQSA-N 411.199 2.554 50 40 HFGB O=C(COc1ccc(C(=O)c2ccccc2)cc1)NNC(=O)COc1ccccc1F 3427404 AHFZJWPMCNJLCG-UHFFFAOYSA-N 422.412 2.662 50 40 HFGB CCn1c(C)nc2cc(C(=O)NNC(=O)COc3cccc4c3OC(C)(C)C4)ccc21 9885258 ASUFGQXHLLMUHC-UHFFFAOYSA-N 422.485 2.918 50 40 HFGB COc1c(OC(C)=O)ccc(/C=N\NC(=O)COc2cccc(C)c2C)c1[N+](=O)[O-] 30838870 NVPQSEUIJVWVIG-FBHDLOMBSA-N 415.402 2.675 50 40 HFGB COCCn1c(C)cc2c(c1=O)[C@@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 2342010 AUWJFEBGTNAWEI-INIZCTEOSA-N 416.275 2.784 50 40 HFGB CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(N)=O)cc1OC 6324445 MLHPECYYOROFKM-KSEXSDGBSA-N 419.865 2.765 50 40 HFGB COc1ccc(-c2cc(C(=O)N/N=C/c3cc(OC)c(OC)cc3OC)[nH]n2)cc1 9014854 TYSNPRWRUCGJRY-WSDLNYQXSA-N 410.430 2.875 50 40 HFGB Cn1cc(Br)cc1C(=O)NNC(=O)c1c[nH]c(=S)n1-c1ccccc1 12393623 LYTLHCPRXGIHPD-UHFFFAOYSA-N 420.292 2.711 50 40 HFGB O=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)N/N=C\c1ccncc1 39986435 JLXLKUONIJTLRV-JCMHNJIXSA-N 400.504 2.555 50 40 HFGB O=C(COC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)c1ccccc1)NNC(=O)c1ccccc1 138627173 NTFYUCIINNIMDJ-QIJZPMMNSA-N 420.465 2.536 50 40 HFGB CCOC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1cc(OC)ccc1OC 408603837 HKHFWNXOWZMMCA-INIZCTEOSA-N 400.460 2.652 50 40 HFGB N#C/C(=C\c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)N1CCOCC1 408752841 CRXXUFCAXRIRKZ-SFQUDFHCSA-N 407.382 2.580 50 40 HFGB N#C/C(=C\c1cn(CC(=O)N2CCOCC2)c2ccccc12)C(=O)NC1CCCCC1 408856986 MLGFVHJNSPHBMU-NBVRZTHBSA-N 420.513 2.856 50 40 HFGB COc1cc2c(cc1OC)C1=C[C@]3(C(=O)Nc4ccc(F)cc43)C(C#N)=C(N)N1CC2 5421858 DERZWAVKJKEWGB-HSZRJFAPSA-N 418.428 2.639 50 40 HFGB COc1ccc(/C(C)=N\NC(=O)CN2CCN(Cc3ccc(C)cc3)CC2)cc1OC 19682644 MTWSTTBHOXWSCF-PLRJNAJWSA-N 424.545 2.670 50 40 HFGB CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(OC)c(OC)c3)[C@@H]2C1 19816242 AFJTXIIDCRUZIT-NQIIRXRSSA-N 403.486 2.839 50 40 HFGB O=C(NNC(=O)c1ccccc1F)c1cccc(CS(=O)(=O)c2ccccc2)c1 40140312 ZFSMGAINJBAQAY-UHFFFAOYSA-N 412.442 2.874 50 40 HFGB COCCNC(=O)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1 408606011 KWTQLAUXNONSLD-FOKLQQMPSA-N 424.284 2.785 50 40 HFGB O=C(N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2)c1cc(Br)ccc1O 409146716 VRFZNIIWEMKELA-UBKPWBPPSA-N 408.164 2.556 50 40 HFGB Cc1cc2c(c(=O)n1Cc1ccco1)[C@@H](c1ccc([N+](=O)[O-])cc1)C(C#N)=C(N)O2 2360870 KGMHNVKHGYKEPG-SFHVURJKSA-N 404.382 2.924 50 40 HFGB COc1ccc([C@H]2C(C#N)=C(N)C(C#N)(C#N)C3=CCN(C(C)C)C[C@H]32)c(OC)c1 19831986 BOHRYMURFFJDQZ-NQIIRXRSSA-N 403.486 2.838 50 40 HFGB O=C(NNC(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F)c1ccccc1O 24836601 VLJDRMLUFFXEKZ-UHFFFAOYSA-N 408.311 2.811 50 40 HFGB CNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1Cl 408610655 OTRJYITZTRXLBQ-ZVBGSRNCSA-N 424.682 2.878 50 40 HFGB COc1ccccc1N(CC(=O)N/N=C/c1cccc2ccccc12)S(C)(=O)=O 408923132 FPXKNKHUQIEFBW-HYARGMPZSA-N 411.483 2.765 50 40 HFGB N#C/C(=C\c1cc(Br)ccc1OCC(N)=O)C(=O)Nc1ccccc1 409222264 BWTCOGGOGPDAAD-MDWZMJQESA-N 400.232 2.859 50 40 HFGB C=CCc1ccccc1OCC(=O)NNS(=O)(=O)c1ccc(OCCC)cc1 2367799 WZYSUXLCHOPOQH-UHFFFAOYSA-N 404.488 2.592 50 40 HFGB CCc1cc2cc3c(cc2nc1SCC(=O)NNC(=O)c1ccco1)OCCO3 4849588 YMVKRJONAIUHIP-UHFFFAOYSA-N 413.455 2.715 50 40 HFGB Cc1ccc2[nH]c(C)c(CC(=O)NNC(=O)CCC(=O)NCc3ccc(F)cc3)c2c1 6302093 LQTSRORKRDYQBA-UHFFFAOYSA-N 424.476 2.710 50 40 HFGB CSc1ccc([C@H]2CC(=O)NC(SCC(=O)NC[C@H]3CCCO3)=C2C#N)cc1 6454165 MFUNWOXJYTUXRU-GDBMZVCRSA-N 417.556 2.776 50 40 HFGB C#CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1OC 8426016 AHBAYKKLFUXMGM-OAHLLOKOSA-N 415.247 2.719 50 40 HFGB Cc1cccc(-n2nnnc2SCC(=O)C(C#N)=C2N(C)c3ccccc3N2C)c1 12552284 ZBLCOPILSRUMBN-UHFFFAOYSA-N 417.498 2.953 50 40 HFGB CNC(=O)/C(C#N)=C1\S[C@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccccc1 16689693 LKXLREJISFDLCV-XUMLYMLNSA-N 408.439 2.767 50 40 HFGB O=C(CN1CCN(Cc2ccccc2)CC1)N/N=C\c1c(O)ccc2ccccc12 28351196 BRZVDDNHGITMRQ-XYGWBWBKSA-N 402.498 2.813 50 40 HFGB O=C(COc1ccccc1-c1ccccc1)NNC(=O)C1(N2CCOCC2)CCCC1 78808958 CLKNMOFADKWXDT-UHFFFAOYSA-N 423.513 2.525 50 40 HFGB N[C@@H](Cc1ccc(O)cc1)C(=O)N/N=C/c1ccc(N(CCCl)CCCl)cc1 1688391 WBMLOIZUPQOBPX-OEBVFIGYSA-N 423.344 2.696 50 40 HFGB CCCCOc1ccccc1C(=O)NNC(=S)NC(=O)c1ccc([N+](=O)[O-])cc1 2064465 YYSORQNJRVPDDT-UHFFFAOYSA-N 416.459 2.723 50 40 HFGB Cc1cc2c(cc1/C=N/NC(=O)[C@@H](NC(=O)Cc1cccs1)C(C)C)OCO2 3766160 GRWZULQRYULJEN-JNQCIGHESA-N 401.488 2.619 50 40 HFGB COc1ccc([C@H]2N(C(=O)CCl)CCN2S(=O)(=O)c2ccc(C)cc2)cc1 4778641 QBQOCEKNGOXTDP-IBGZPJMESA-N 408.907 2.774 50 40 HFGB CC1=C(C#N)C(=O)N(CCCN2CCCC2=O)C(=O)/C1=C\Nc1cc(C)ccc1C 8992182 SAJFIGILSOPAPV-RGEXLXHISA-N 406.486 2.821 50 40 HFGB C/C(=N\NC(=O)CN(c1ccccn1)S(=O)(=O)c1ccccc1)c1ccccc1 19951250 AYWVWCPQBSUJIY-HAVVHWLPSA-N 408.483 2.817 50 40 HFGB Cc1c(C(=O)N/N=C/c2ccc(O)c(Br)c2)sc2ncnc(N)c12 408972518 DFVNOSSYPBVJEI-DENHBWNVSA-N 406.265 2.814 50 40 HFGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Br)c2)ccc1O 5463787 IZWGWYYXDMEOMK-VXLYETTFSA-N 406.236 2.642 50 40 HFGB Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)NNC(=O)CC(C)C 12778219 ORECLPFGWMNXNE-UHFFFAOYSA-N 407.467 2.742 50 40 HFGB Cc1cc(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)c(C)n1-c1ccccc1 40143571 HSDAHGNUFXXTFY-UHFFFAOYSA-N 418.501 2.562 50 40 HFGB O=C(Cc1ccc(Cl)cc1)NN[C@@H]1CC(=O)N(c2ccc3ccccc3c2)C1=O 101895426 JZJBUIPLBCSCCC-LJQANCHMSA-N 407.857 2.989 50 40 HFGB CCOc1ccc(Nc2ccc(Cl)cc2/C=N/NC(=O)C(=O)NCCOC)cc1 408708354 PJENVQCTJRGWGE-YDZHTSKRSA-N 418.881 2.695 50 40 HFGB CCOc1ccccc1/C=N\NC(=O)c1nn(-c2ccccc2C)c(=O)c(C#N)c1C 409058000 RAECRXQDOKKBIJ-QFEZKATASA-N 415.453 2.884 50 40 HFGB CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@@]12C(=O)N(C)c1ccccc12 1252727 LNYHRLJASCSBDF-HSZRJFAPSA-N 401.422 2.599 50 40 HFGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2cccc3ccccc23)cc1 6356948 DWDSXPWCEOQGMB-HYARGMPZSA-N 411.483 2.619 50 40 HFGB CCOc1ccc(CC(=O)N/N=C/c2ccc(OCC(=O)OC)c(OCC)c2)cc1 10476007 YGAYFWUMGWSQHG-OEAKJJBVSA-N 414.458 2.729 50 40 HFGB O=C(NNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1ccc2c(c1)OCO2 12789979 VJEHDLPZCJULHU-UHFFFAOYSA-N 422.768 2.711 50 40 HFGB COC(=O)COc1c(Cl)cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc1OC 108132287 BOMGAWCXCFPFDU-UKWGHVSLSA-N 421.793 2.573 50 40 HFGB O=C(N/N=C\c1cn(CC(=O)N2CCOCC2)c2ccccc12)Nc1ccccc1 408961529 MWIIVUKHUWSBED-UCQKPKSFSA-N 405.458 2.656 50 40 HFGB CCOc1ccc(/C(C)=N/NC(=O)CNc2ccc3c(c2)OCO3)cc1[N+](=O)[O-] 409178278 KJBNFILLPFCRIS-CIAFOILYSA-N 400.391 2.675 50 40 HFGB C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)N/N=C\c4ccc(O)cc4)c(=O)c23)C1 31783269 AXIYLHMYFFHFAI-NHXJGAAHSA-N 410.499 3.000 50 40 HFGB COC(=O)COc1ccc(/C=N\NC(=O)Cc2ccc(Br)cc2)cc1 35494330 FXPYWIJYEDUPPH-JAIQZWGSSA-N 405.248 2.694 50 40 HFGB COc1cc(/C=C(/C#N)C(=O)N(C)C)c(Br)c(Br)c1O 59333798 ZYLNUBQHHQGPIT-YWEYNIOJSA-N 404.058 2.921 50 40 HFGB N#C/C(=C\c1cc2c(cc1[N+](=O)[O-])OCO2)C(=O)N1CCN(c2ccccc2)CC1 408785998 DMRHGWYPQXJAPE-MHWRWJLKSA-N 406.398 2.579 50 40 HFGB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNc1nc(Cl)nc(N(C)C)n1 857319 UQSZGTCEMYPHGR-SSDOTTSWSA-N 405.673 2.808 50 40 HFGB COc1ccc(CNC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)cc1 2316020 ZXJRXQWEIICVRB-MFKUBSTISA-N 404.470 2.869 50 40 HFGB CCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1NCc1ccco1 408708033 NMZLHSCWPOFTPR-UFFVCSGVSA-N 407.268 2.631 50 40 HFGB CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccco2)sc2c1CCCCC2 2433593 DGBLASLNLAXSEU-RGVLZGJSSA-N 403.460 2.876 50 40 HFGB O=C(Cn1nc(C(F)F)cc1C(F)F)NNC(=S)Nc1ccc([N+](=O)[O-])cc1 13555161 MXPBDTXRKYPBGL-UHFFFAOYSA-N 420.348 2.684 50 40 HFGB COc1ccc(CC(=O)N/N=C2\C(=O)N(CN3CCCCCC3)c3ccccc32)cc1 18323216 KGEHCZBQLDJADE-RWEWTDSWSA-N 420.513 2.938 50 40 HFGB COc1ccc(/C=N/NC(=O)c2ccn(Cc3ccc([N+](=O)[O-])cc3)n2)c(OC)c1 1088990 KFZDMLGGXUCOHR-CIAFOILYSA-N 409.402 2.621 50 40 HFGB CCCc1c(C(=O)N/N=C/c2ccc(-c3ccccc3)cc2)nnn1-c1nonc1N 2447309 UDRRCATVALLCFB-YDZHTSKRSA-N 416.445 2.616 50 40 HFGB COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(N(CCCl)CCCl)c(OC)c1 5499053 GNSMYPMRUSZDLC-INIZCTEOSA-N 416.305 2.780 50 40 HFGB CCN(CC)c1ccc(C(=O)NNC(=O)CN2CCC[C@H](C(F)(F)F)C2)cc1 12549098 JGOIQUKNVGZYDJ-HNNXBMFYSA-N 400.445 2.568 50 40 HFGB O=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)N/N=C\c1cccc(O)c1 39986462 ZPVXPCZNOAIALM-JCMHNJIXSA-N 415.515 2.866 50 40 HFGB CCCCCCCCCn1c(SC[C@H](O)CCl)nc2c1c(=O)[nH]c(=O)n2C 97944118 MXKDKLXOENDKFD-CYBMUJFWSA-N 416.975 2.866 50 40 HFGB CNC(=O)/C(C#N)=C1/S[C@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccccc1 2373259 LKXLREJISFDLCV-PBEQFFAXSA-N 408.439 2.767 50 40 HFGB Cc1[nH]nc2c1[C@@]1(C(=O)N(Cc3ccc(F)cc3)c3ccccc31)C(C#N)=C(N)O2 5197649 OMSUNKTUAWFXBQ-QFIPXVFZSA-N 401.401 2.776 50 40 HFGB CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cc(OC)ccc3F)[C@@H]2C1 6194991 MEGWETPXOPIUCM-IEBWSBKVSA-N 421.432 2.716 50 40 HFGB Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NNC(=O)c3ccco3)c2)cc1 17257292 QJQBUFCJICUAQX-UHFFFAOYSA-N 413.455 2.772 50 40 HFGB Cc1c(C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)oc2c1C(=O)CC(C)(C)C2 40115927 ZSDMEMGBCFWQTC-UHFFFAOYSA-N 422.441 2.709 50 40 HFGB C=C1C(=O)O[C@H]2/C=C(\COC(C)=O)CC/C=C(\C=O)C[C@@H](OC(=O)CC(C)C)[C@@H]12 100064111 SLDSEAYVUCFJOD-CXMCBYCJSA-N 404.459 2.841 50 40 HFGB biogenic,in-vitro COc1ccc(CC(=O)N/N=C(\C)CC(=O)Nc2ccc(N(C)C)cc2)cc1OC 100510196 HRJIPHNLVZDXDI-BUVRLJJBSA-N 412.490 2.833 50 40 HFGB COc1cccc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c1 408850790 RFLOLQCTVYJJHT-KOMLCTQHSA-N 421.906 2.652 50 40 HFGB Cc1cc(C(=O)OCC(=O)NNC(=O)c2ccccc2)c(C)n1-c1ccc(F)cc1 5623082 OPKOUXBOFFAWHF-UHFFFAOYSA-N 409.417 2.851 50 40 HFGB O=C(NNC(=O)c1ccccc1C(=O)O)c1ccc(NC(=O)c2ccccc2)cc1 6927281 ILPFSOPKKKPECC-UHFFFAOYSA-N 403.394 2.712 50 40 HFGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc3c(c2)OCCO3)c([N+](=O)[O-])cc1OC 13140898 DGVFCDNIJOCOII-NTUHNPAUSA-N 411.370 2.929 50 40 HFGB CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)NNC(=O)CSc1ccccc1F 14245729 BQOQPMGCOBMKSF-GOSISDBHSA-N 421.469 2.659 50 40 HFGB Cc1c(C(=O)NNC(=O)N[C@@H](CN2CCOCC2)c2ccccc2)oc2ccccc12 32809196 RDIMTAQOVOUDLS-IBGZPJMESA-N 422.485 2.759 50 40 HFGB CC1=CC(=O)[C@H](Br)[C@H](Br)/C1=N/S(=O)(=O)c1ccccc1 101051772 HSRUWLRUPQEIPE-HPJJITKJSA-N 421.110 2.872 50 40 HFGB CC1=NN(c2ccccc2)C(=O)/C1=C(\NNC(=O)c1ccccc1O)C(F)(F)F 100509969 SHBINAGGJGQNMW-NXVVXOECSA-N 404.348 2.866 50 40 HFGB COc1ccc(C(=O)N2CCC(C(=O)N/N=C/c3ccccc3[N+](=O)[O-])CC2)cc1 409005733 KMPBEKFKSVODQW-HYARGMPZSA-N 410.430 2.606 50 40 HFGB COc1ccc(CC(=O)N/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)cc1 15223100 OEVQUFVOXDOMDO-GIJQJNRQSA-N 408.208 2.764 50 40 HFGB O=C(Cn1nnc(-c2ccccc2Cl)n1)N/N=C/c1cc2c(cc1Cl)OCO2 98086442 BUTICEOUQURCIM-IFRROFPPSA-N 419.228 2.526 50 40 HFGB Cc1cccc(N2C(=O)NC(=O)[C@H](/C=N/NC(=O)c3cccc4ccccc34)C2=O)c1 408530415 FHRZKAALXSWPEQ-BBMHEYIBSA-N 414.421 2.763 50 40 HFGB Cn1c(CC(=O)NNC(=O)Cc2csc(-c3ccccc3)n2)nc2ccccc21 6509175 CYRUFUSKGIKVOM-UHFFFAOYSA-N 405.483 2.629 50 40 HFGB CN(C)c1ccc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccc3c(c2)OCCO3)cc1 6534388 GTWVOGXJISAIIS-LFIBNONCSA-N 407.426 2.613 50 40 HFGB CCOC(=O)c1c(NC(C)=O)sc2c(OC(C)=O)c([N+](=O)[O-])cc([N+](=O)[O-])c12 9193871 YUQUSGUZXSYAIG-UHFFFAOYSA-N 411.348 2.778 50 40 HFGB C[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)NNC(=O)c1cc2c(s1)CCC2 9335737 MAZVVKABJRUHCK-AWEZNQCLSA-N 421.522 2.898 50 40 HFGB O=C(N/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)c1cc2cc([N+](=O)[O-])ccc2o1 408965227 JLHIFMILBGAJME-REZTVBANSA-N 415.274 2.627 50 40 HFGB Cc1cc(C)c(C#N)c(SCC(=O)NNC(=O)c2cccc(Br)c2)n1 873410 PDNIKVIKZVIQLL-UHFFFAOYSA-N 419.304 2.886 50 40 HFGB CCOc1ccc(/C(C)=N/NC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)cc1 20060289 AVGFPFRNLROXOJ-LTGZKZEYSA-N 403.504 2.700 50 40 HFGB COc1cccc(CC(=O)N/N=C\c2ccc(O)c(I)c2)c1 408965225 UTSQPDJIEYTSAI-ZDLGFXPLSA-N 410.211 2.698 50 40 HFGB O=C(NC[C@@H]1CCCO1)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1 4474240 SPFCWTMBYHCRHY-AMAFCZHPSA-N 415.877 2.664 50 40 HFGB C[C@]1(C(=O)NNC(=O)[C@H]2C[C@@H]2c2ccccc2)CC1(Br)Br 4772852 BICHOTDPOQHVQT-UHIISALHSA-N 416.113 2.834 50 40 HFGB COc1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2O)cc(Br)c1O 59433200 XCGOYJFSPWAXQT-REZTVBANSA-N 410.180 2.541 50 40 HFGB CCCCCCCCCn1c(SC[C@@H](O)CCl)nc2c1c(=O)[nH]c(=O)n2C 97944119 MXKDKLXOENDKFD-ZDUSSCGKSA-N 416.975 2.866 50 40 HFGB COCCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1Nc1cc(C)ccc1C 408708798 SWSPYMKDEAVQDZ-FSJBWODESA-N 402.882 2.913 50 40 HFGB COc1ccc(C(=O)NNC(=O)COc2cc(C)ccc2C)cc1Br 674932 JDWRAWLRFBYAPI-UHFFFAOYSA-N 407.264 2.915 50 40 HFGB Cc1cccc(C)c1OCC(=O)N/N=C1\C(=O)N(C)c2ccc(Br)cc21 4694192 NOKSBORQLHCBSA-XLNRJJMWSA-N 416.275 2.942 50 40 HFGB Nc1ccc(C(=O)NN2C(=O)[C@@H](Cl)[C@H]2c2cc(Br)ccc2O)cc1 5580802 VMFGZUZQTNQQCO-UONOGXRCSA-N 410.655 2.573 50 40 HFGB Cc1cc(C)c(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NC(C)C)c2)c(C)c1 8333396 PRUXJZPZSJMHJD-WYMPLXKRSA-N 424.501 2.604 50 40 HFGB O=C(NNC(=O)[C@@H]1COc2ccccc2O1)c1ccccc1C(=O)c1ccc(F)cc1 12972733 VSPPOJSLEWYPEC-FQEVSTJZSA-N 420.396 2.658 50 40 HFGB Cc1cccc(N2C(=O)[C@H](Cc3cccc([N+](=O)[O-])c3)S/C2=C(\C#N)C(N)=O)c1 13810637 DFERZOQMGAYTGK-BJMRFWQKSA-N 408.439 2.815 50 40 HFGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O 59433290 CUSUAXYYVZQQEA-CAOOACKPSA-N 423.179 2.664 50 40 HFGB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCSSCC1 89769949 HJUNJQAGYRINSU-UHFFFAOYSA-N 403.551 2.971 50 40 HFGB CN1/C(=C(\C#N)C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)Nc2ccccc21 100564041 RTAUVMLXUWCMCB-HEHNFIMWSA-N 408.483 2.951 50 40 HFGB CCOc1ccc(N([C@H](C)C(=O)N/N=C(\C)c2ccccc2)S(C)(=O)=O)cc1 408922031 OLAKTVXSLWNGCP-GXPOEHQZSA-N 403.504 2.780 50 40 HFGB COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(C4CC4)c(=O)c32)c(OC)c1OC 2241361 ZLQSJVNKRXGBPO-KRWDZBQOSA-N 409.442 2.736 50 40 HFGB C=CCOc1cccc(/C=N/NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)c1 20213852 VBEQJNWVMRPVFR-HYARGMPZSA-N 415.515 2.785 50 40 HFGB COC(=O)c1ccc([C@H]2C(C#N)=C(N)C(C#N)(C#N)C3=CCN(C(C)C)C[C@H]32)cc1 26417311 PZUDQWUCUUZZOL-QUCCMNQESA-N 401.470 2.607 50 40 HFGB COc1cc(/C=N/NC(=O)CNc2cccc(Br)c2)ccc1OC(C)=O 849658 ONZTUWTYDGUIKV-UFFVCSGVSA-N 420.263 2.945 50 40 HFGB COc1ccc(OCC(=O)N/N=C(\C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 5342655 FZGWFFZGJIIEBL-HYARGMPZSA-N 414.418 2.812 50 40 HFGB C=CCc1cc(/C=N\NC(=O)CN2CCOCC2)cc(OC)c1OCc1ccccc1 59246441 NMVWVAQGKLHGHO-XYGWBWBKSA-N 423.513 2.785 50 40 HFGB NC(=O)COc1ccc(/C=N\NC(=O)COc2ccc(-c3ccccc3)cc2)cc1 83318307 YQPSMHHOQYUGNJ-QFEZKATASA-N 403.438 2.747 50 40 HFGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N/NC(=O)Cc3ccccc3)o2)cc1 408874920 FINPQUXEBGMAGJ-MFKUBSTISA-N 418.453 2.536 50 40 HFGB COc1cc(/C=C(\C#N)C(N)=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 408896003 OUFLRGCWYKONFX-NTUHNPAUSA-N 406.847 2.817 50 40 HFGB COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)c(Br)cc1OCC(=O)O 409189574 QQSCLPSGAMRPLG-SDQBBNPISA-N 423.263 2.887 50 40 HFGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2C)cc1 409254005 HHRIAJCRSKYOQJ-PDERCVKFSA-N 424.501 2.686 50 40 HFGB O=C(N/N=C/c1ccc([N+](=O)[O-])s1)C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 55252907 FSEPFIOLSBFNMB-YBFXNURJSA-N 417.447 2.927 50 40 HFGB Cc1ccn2c(C(=O)N/N=C/c3ccc(OCC(=O)NC(C)C)cc3)c(C)nc2c1 58872773 QWFKZSIZJADLMI-FSJBWODESA-N 407.474 2.618 50 40 HFGB COc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc([N+](=O)[O-])c1O 96838654 MDCWCERJOIREJR-LSCVHKIXSA-N 400.303 2.727 50 40 HFGB O=C(CCl)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)cc1Cl 101308897 CRQDTLOVLYYAAO-CVQDRVJJSA-N 413.735 2.834 50 40 HFGB COCCOc1ccc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)cc1OC 409207280 RCHZVNCKMFDHBE-RQZCQDPDSA-N 410.426 2.672 50 40 HFGB COc1ccc([C@H]2C(C#N)=C(N)N(c3nc[nH]n3)C3=C2C(=O)CC(C)(C)C3)c(OC)c1 5408217 TTZACZMISBAMDC-SFHVURJKSA-N 420.473 2.763 50 40 HFGB CCCCCCC(=O)Nc1nnc(CC(=O)N/N=C/c2cccc(OC)c2O)s1 6203317 RWGITYFJMAXVJN-UDWIEESQSA-N 419.507 2.854 50 40 HFGB CCCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cc(C)cc(C)c2)c1 6428394 RYEPDUGUVGEUQI-AFUMVMLFSA-N 424.501 2.687 50 40 HFGB C/C(N)=C(\C#N)C(=O)COC(=O)c1ccc2c(c1)C(=O)N(c1cc(C)ccc1C)C2=O 104321270 CDYGOOOYZVRTEN-JXAWBTAJSA-N 417.421 2.586 50 40 HFGB Cn1cc(I)c(C(=O)N/N=C/c2c(O)ccc3ccccc23)n1 830251 ACOLRDLWPQREJA-QGMBQPNBSA-N 420.210 2.647 50 40 HFGB COC(=O)Cc1[nH]nc2c1[C@@H](c1cncc(-c3ccc(F)cc3)c1)C(C#N)=C(N)O2 1423957 NGYBSLOBOJNTJM-SFHVURJKSA-N 405.389 2.544 50 40 HFGB N#C/C(=C\NC(=S)N/N=C1/C(=O)Nc2ccccc21)c1nc2ccccc2s1 104304689 CBRCTRFRCLRTKN-ZHACJKMWSA-N 404.480 2.981 50 40 HFGB Cc1ccc(NCc2nnc(SCC(=O)NNC(=O)c3ccc(C)cc3)n2C)cc1 862139 GEZRFMOXDQJCBF-UHFFFAOYSA-N 424.530 2.597 50 40 HFGB Cc1cc(C)c(S(=O)(=O)NCC(=O)N/N=C/c2c(F)cccc2Cl)c(C)c1 6607217 HQMVVZZQRKXMSY-ZVBGSRNCSA-N 411.886 2.833 50 40 HFGB Cc1cc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)c3ccco3)cc2)ccc1F 9585154 AQBHHCZTBXQPMX-UHFFFAOYSA-N 417.418 2.603 50 40 HFGB Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NNC(=O)CC(C)C)c2)cc1 10160906 QQYMMQWTANVKJW-UHFFFAOYSA-N 403.504 2.911 50 40 HFGB C#CCN1C(=O)[C@]2(C(C#N)=C(N)N(c3cccnc3)C3=C2C(=O)CCC3)c2ccccc21 13567702 QMVPQZNLADBZRL-VWLOTQADSA-N 421.460 2.520 50 40 HFGB CN(C)c1ccc(/C=N/NC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1 19682709 XKRFNLITYSHPJC-BUVRLJJBSA-N 413.953 2.674 50 40 HFGB N#C/C(=C\c1cc(Br)ccc1OCC(N)=O)C(=O)NCc1ccccc1 409226784 WXMRFOLOURSINZ-OVCLIPMQSA-N 414.259 2.537 50 40 HFGB O=C(N/N=C/c1cc(Br)c(I)o1)c1cccnc1 9262740 QOURHDPWPUALMT-GIDUJCDVSA-N 420.004 2.806 50 40 HFGB C/C(=N\NC(=O)CNc1ccc(I)cc1)c1ccc(O)cc1 108291932 XNYXMTUEIXUGOV-YBFXNURJSA-N 409.227 2.949 50 40 HFGB O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1ccccc1I 4090280 WYSZYCFEDOOKLB-UFWORHAWSA-N 423.210 2.582 50 40 HFGB O=C(NNC(=O)c1nn(-c2ccc(Cl)cc2)cc1O)c1ccc2ccccc2n1 6543272 JDMJUZAHKTYQSG-UHFFFAOYSA-N 407.817 2.854 50 40 HFGB O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21)NCCSSc1ccccn1 33892393 MAJOROISBURONW-DVOMOZLQSA-N 412.606 2.664 50 40 HFGB in-vitro COc1cc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)cc(Br)c1O 100437414 JLSPHNGKRXLQGQ-DJKKODMXSA-N 406.236 2.886 50 40 HFGB CC(=O)Nc1cccc(C(=O)N/N=C/c2cc(Br)c(O)c([N+](=O)[O-])c2)c1 107977851 PKSYGZNGBOFXIX-QGMBQPNBSA-N 421.207 2.785 50 40 HFGB Cc1cc(O)nc(Sc2ccc(/C=N/NC(=O)c3ccncc3)cc2[N+](=O)[O-])n1 409103147 BBCQLQDRMWAGCJ-KEBDBYFISA-N 410.415 2.709 50 40 HFGB Nc1ccc(C(=O)NN2C(=O)[C@H](Cl)[C@H]2c2cc(Br)ccc2O)cc1 1633092 VMFGZUZQTNQQCO-ZIAGYGMSSA-N 410.655 2.573 50 40 HFGB COc1ccc(S(=O)(=O)/C(C#N)=C/N2CCN(c3ccc(F)cc3)CC2)cc1 6669533 QQHOYVATNLKSIY-HMMYKYKNSA-N 401.463 2.795 50 40 HFGB CCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2c(C)cc(C)cc2C)c1 6879468 WWZVFEHGLYMHFN-DHRITJCHSA-N 424.501 2.606 50 40 HFGB Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)N3CCOCC3)cc2)cc1 13943459 KITIUWNUOOQPBF-RGEXLXHISA-N 405.454 2.778 50 40 HFGB O=C(Cc1n[nH]c(=O)c2ccccc12)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 16525456 LFLGVEOVGXEPLR-WSDLNYQXSA-N 417.381 2.784 50 40 HFGB N#CCC(=O)N/N=C(\C[C@]1(O)C(=O)Nc2c(Cl)cc(Cl)cc21)c1ccccc1 17176531 FFOJXVAMYQIIGB-IERINAHZSA-N 417.252 2.957 50 40 HFGB O=C(COCC(=O)N/N=C/c1ccc(Cl)cc1)N/N=C/c1ccc(Cl)cc1 1578536 ZTMZXURRIBELNH-VGENTYGXSA-N 407.257 2.610 50 40 HFGB CC(C)(C)OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)CBr 2567653 PBVFTOAYKLEQQO-ZDUSSCGKSA-N 400.269 2.977 50 40 HFGB Cc1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)cc1 3343501 ZEROCXBULHTEBW-UHFFFAOYSA-N 423.494 2.895 50 40 HFGB Cc1sc2ncnc(SCC(=O)NNC(=O)COc3ccccc3)c2c1C 4130277 PKHIIQMSZOOVKZ-UHFFFAOYSA-N 402.501 2.627 50 40 HFGB Nc1ccccc1N1C(=O)[C@H]2C[C@H](Br)[C@H](Br)C[C@@H]2C1=O 6392615 MBKHUNRVMPCQNA-AATLWQCWSA-N 402.086 2.695 50 40 HFGB COc1cc2c(cc1/C=C/C(=O)NNC(=O)COc1cc(C)cc(C)c1)O[C@@H](C)C2 7987045 RMMUWAIDGQIVBZ-JFDDCEBESA-N 410.470 2.875 50 40 HFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1O)c1cc(Cl)cc(Cl)c1 408767490 LIARFBQYNLDMMV-DJKKODMXSA-N 416.286 2.615 50 40 HFGB C#CCOc1c(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)cc(Br)cc1OC 408820740 YJQAUMUDVNVELW-SBNBMVPLSA-N 419.275 2.672 50 40 HFGB Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2ccncc2)c2ccccc2)cc1 408981724 WKWITIXKLMFRED-DOZBRYHWSA-N 422.510 2.950 50 40 HFGB COc1cc(/C=N\NC(=O)Cc2ccc3c(c2)OCCO3)cc(Br)c1O 409364192 NKZWMBKYRUPUOO-JMIUGGIZSA-N 421.247 2.627 50 40 HFGB Cc1ccc(S(=O)(=O)CCC(=O)NNC(=O)CCSc2ccc(F)cc2)cc1 9508891 XKPNWRLDUGIQSB-UHFFFAOYSA-N 424.519 2.628 50 40 HFGB COc1cccc(/C=N/NC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)c1 20212959 FGWRSOFJVYMXNX-RGVLZGJSSA-N 409.895 2.573 50 40 HFGB CCOc1ccc(/C(C)=N/NC(=O)CN(c2ccccc2F)S(C)(=O)=O)cc1 408780828 LQSZIEPDDIHXQU-KGENOOAVSA-N 407.467 2.531 50 40 HFGB CCOc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccc(C)cc2)S(C)(=O)=O)cc1 408905931 BEUIORVWDFMGCA-YIRPMMGJSA-N 403.504 2.699 50 40 HFGB O=C(NNC(=S)NC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1O 2064498 WMGNNVSSLSBDNW-UHFFFAOYSA-N 405.479 2.860 50 40 HFGB O=C(NN[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O)c1ccc(Br)cc1 100572061 PFXSMSXQARRCTM-AWEZNQCLSA-N 422.666 2.669 50 40 HFGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccccc2)=C(C#N)[C@@H]1c1ccccc1 108297053 BDIRYGKPLRBZOG-OALUTQOASA-N 421.478 2.796 50 40 HFGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cccc(OC)c1OCc1ccc(F)cc1 408612600 WAJBSTQUBRURBS-XMTZNVEYSA-N 401.438 2.778 50 40 HFGB CCc1ccc(N(CC(=O)N/N=C/c2c(F)cccc2Cl)S(C)(=O)=O)cc1 409027498 DURUVGVZMYVEFK-SRZZPIQSSA-N 411.886 2.958 50 40 HFGB COc1ccc(-c2nnc(S[C@H](C)C(=O)NNC(=O)c3ccc(C)cc3)o2)cc1 868691 RDGIHWSDRTVXGL-CYBMUJFWSA-N 412.471 2.995 50 40 HFGB CCOC(=O)C1=C(CCl)OC(N)=C(C#N)[C@H]1c1ccc(OC)c(OC)c1OC 1480512 IXHRASHBXZHEAY-CQSZACIVSA-N 408.838 2.576 50 40 HFGB COCCCNC(=O)/C(C#N)=C1\N=C(NC(=O)c2ccccc2C)c2ccccc21 2432623 JAUFMHVFCNPUDY-VXPUYCOJSA-N 402.454 2.573 50 40 HFGB N#CCC(=O)Nc1ccc(C(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)cc1 3283827 IZBGXKZVOUOORO-UHFFFAOYSA-N 401.382 2.537 50 40 HFGB CCOC(=O)Cn1cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)c2ccccc21 6350318 PWQSYYTYJLOBPM-FSJBWODESA-N 409.442 2.986 50 40 HFGB O=C(CC(=O)N/N=C/c1ccccc1OCc1ccccc1)NCc1cccnc1 59461580 NRDXZXXONSXQEG-WGOQTCKBSA-N 402.454 2.817 50 40 HFGB Cc1ccc(NS(=O)(=O)c2ccc(C(=O)NNC(=O)c3ccccc3)cc2)cc1 89635151 PCCWVEHHRYLIKC-UHFFFAOYSA-N 409.467 2.871 50 40 HFGB Cc1cccnc1N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 245230816 ZKYAEZPVIQTARD-MOCCIAMBSA-N 414.097 2.672 50 40 HFGB CC(C)(C)OC(=O)COc1ccc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)cc1 408841190 JLHLQJDNJZGFRL-AOOMUMSASA-N 412.442 2.697 50 40 HFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1O)c1cc(Cl)ccc1Cl 409024024 HGPXHRCUCUIWTE-DJKKODMXSA-N 416.286 2.615 50 40 HFGB O=C(c1ccc(O)cc1)N1CCC2(CC1)CO[C@H](CI)C2 2056225785 BVJZEIMTYNUZHY-AWEZNQCLSA-N 401.244 2.839 50 40 HFGB Cc1ccc(C(=O)N/N=C/c2ccc(/C=N/NC(=O)c3ccc(C)nc3)cc2)cn1 5547500 INWFPINPYROSLB-KOZSXFMUSA-N 400.442 2.621 50 40 HFGB Cc1cc(C(=O)N/N=C/c2cc(Br)cc(Br)c2O)[nH]n1 18240539 YCISQJIYZFXFKW-PJQLUOCWSA-N 402.046 2.713 50 40 HFGB Cc1cc(OCc2ccc(C(=O)NNC(=O)[C@@H](C)n3cncn3)cc2)ccc1Cl 24745607 KMKKHYBLKILSOA-CQSZACIVSA-N 413.865 2.841 50 40 HFGB CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C/Nc1ccc2ccccc2c1 103518830 ITVGMRSDLPXWDY-BAOGCXAUSA-N 421.478 2.532 50 40 HFGB O=C(N/N=C/c1cc(Br)c(I)o1)c1ccccn1 408847607 NRGYNSJIZITAMI-GIDUJCDVSA-N 420.004 2.806 50 40 HFGB Cc1ccc(-n2nc(C(=O)N/N=C\c3ccc(O)cc3)c(C)c(C#N)c2=O)cc1Cl 409061740 HAALIFHXYOEIED-MYKKPKGFSA-N 421.844 2.844 50 40 HFGB C[C@@H](Oc1ccc(/C=N/NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1)C(=O)O 2777060 BZOVBMYBGDASRR-AINDZBIGSA-N 403.416 2.689 50 40 HFGB CC(C)=NNC(=O)[C@H](C)Sc1nnc(S[C@H](C)C(=O)NN=C(C)C)s1 16322359 QLYYYOGOIJXCNH-AOOOYVTPSA-N 402.571 2.523 50 40 HFGB O=C1[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C(=O)N1Nc1ccccc1 250544021 XEUZBZLQQASJJG-HKLHZYFVSA-N 414.097 2.791 50 40 HFGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)c2ccncc2)cc1 408773541 RJDKDBKFAXSEDA-ZVHZXABRSA-N 404.426 2.872 50 40 HFGB COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccccn4)c(=O)c32)c1 2709956 MOFPJOADUOAWIK-FQEVSTJZSA-N 400.438 2.827 50 40 HFGB COc1cc(C(=O)NNS(=O)(=O)c2ccc(F)c(F)c2F)ccc1OC(C)C 12753556 NIZKJMBCHZDOPC-UHFFFAOYSA-N 418.393 2.523 50 40 HFGB N#CC1=C(N)N(c2ccc(Cl)cc2)C2=C(C(=O)OC2)[C@]12C(=O)Nc1ccccc12 20727078 OPEODUQRZCGJRY-OAQYLSRUSA-N 404.813 2.555 50 40 HFGB COc1ccc(CCNC(=O)/C(C#N)=C\c2ccc(N(C)C)c([N+](=O)[O-])c2)cc1OC 33473317 NNAWXGHYUHFLHQ-BOPFTXTBSA-N 424.457 2.944 50 40 HFGB O=C(CCl)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1c(Cl)cccc1Cl 101303901 NPSZNSAWIDTEEQ-QREGOYGKSA-N 413.735 2.834 50 40 HFGB Nc1ccccc1N1C(=O)[C@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O 221870000 MBKHUNRVMPCQNA-YNFQOJQRSA-N 402.086 2.695 50 40 HFGB COC(=O)COc1ccc(/C=C(\C#N)C(=O)NCCc2ccc(OC)c(OC)c2)cc1 408815549 RQSBZDNJGGGZLV-LDADJPATSA-N 424.453 2.521 50 40 HFGB COc1cccc(/C=N\NC(=O)c2nn(-c3ccc(C)c(C)c3)c(=O)c(C#N)c2C)c1 409056744 HZPJWLBBOULBTK-MXAYSNPKSA-N 415.453 2.802 50 40 HFGB COC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2ccc(OC)cc2)cc1OC 409259114 XOKSXKNDPUIHDK-UFFVCSGVSA-N 406.822 2.673 50 40 HFGB CS(=O)(=O)N(CC(=O)N/N=C/c1c(Cl)cccc1Cl)Cc1ccccc1 6584647 POMUKPKXZLVSPN-KEBDBYFISA-N 414.314 2.905 50 40 HFGB C=CCOc1cccc(/C=N/NC(=O)CN(c2ccccc2CC)S(C)(=O)=O)c1 20208887 UFPCGGATVLMAFP-PXLXIMEGSA-N 415.515 2.730 50 40 HFGB COc1cc(Br)c(O)c(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)c1 408591452 TYHIWXLETDBRHX-GIJQJNRQSA-N 408.208 2.764 50 40 HFGB COc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)O)c(Br)c2)cc1 408748820 IBVXJEHMDPPTDE-DJKKODMXSA-N 407.220 2.685 50 40 HFGB Cc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(-c3ccccc3C(=O)O)o2)cc1 409159284 VSTUUUMDJWGHCA-WYMPLXKRSA-N 405.410 2.833 50 40 HFGB COc1cc(/C=C(/C#N)C(=O)Nn2c(C)ccc2C)cc(Cl)c1OCC(=O)O 409381766 JMEIGWVVVHTVBI-NSIKDUERSA-N 403.822 2.908 50 40 HFGB CCCCOc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2[N+](=O)[O-])cc1 2064496 LBMNNYBBJFXSRK-UHFFFAOYSA-N 416.459 2.723 50 40 HFGB CN1C(=O)/C(=N\NC(=O)COc2cccc(Cl)c2)c2cc(Br)ccc21 2340047 LBIFNAIZJALKJY-PGMHBOJBSA-N 422.666 2.978 50 40 HFGB O=C(NNS(=O)(=O)c1ccc(Cl)cc1)C1CCN(Cc2ccccc2)CC1 5768913 YUXQEHZRQQXVJP-UHFFFAOYSA-N 407.923 2.562 50 40 HFGB COc1cccc(NCC(=O)NNC(=O)C2(c3ccc(Br)cc3)CC2)c1 12589476 KYHBWSIMUBSLOM-UHFFFAOYSA-N 418.291 2.749 50 40 HFGB Cc1cccc(/C=N/NC(=O)CN(c2cccnc2)S(=O)(=O)c2ccccc2)c1 19952813 NRQMTITYHMRBOQ-OEAKJJBVSA-N 408.483 2.736 50 40 HFGB CC(C)NC(=O)/C(C#N)=C\c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1 408837319 CFZLSRRTXJYEDM-JYRVWZFOSA-N 414.849 2.619 50 40 HFGB COCCNC(=O)/C(C#N)=C/c1c(Oc2cccc(C)c2)nc2c(C)cccn2c1=O 4205625 JBCDPMYBHKBANL-GHRIWEEISA-N 418.453 2.773 50 40 HFGB C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(OCC(N)=O)c(Br)c1 408805826 HVQBHMYHAJZQPM-CLFNKMITSA-N 420.307 2.915 50 40 HFGB C#CCOc1c(I)cc(/C=C(\C#N)C(=O)OCC)cc1OC 408928064 VLNXMJPRCZCVQS-KPKJPENVSA-N 411.195 2.782 50 40 HFGB COc1ccc(/C=N/NC(=O)[C@H](C)Nc2ccc3ccccc3c2)cc1OCC(N)=O 1092149 RNCZXGSEOUDQRL-SQAVSUBZSA-N 420.469 2.663 50 40 HFGB N#C/C(C(=O)N1CCOCC1)=C1/N=C(NC(=O)c2ccccc2Cl)c2ccccc21 2365489 QEUMCXACFXGSKI-ZPHPHTNESA-N 420.856 2.624 50 40 HFGB CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)N/N=C\c1ccncc1 408726252 KLTDQSCRHLYOHA-HAHDFKILSA-N 408.483 2.812 50 40 HFGB O=C(CSc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(N2CCOCC2)cc1 409092410 XPYLRBVOPAMKIC-DEDYPNTBSA-N 400.460 2.674 50 40 HFGB C/C(=N\NC(=O)CN(c1cccc2ccccc12)S(C)(=O)=O)c1ccccc1O 5725250 UVRCJOIOPJKZLM-PXLXIMEGSA-N 411.483 2.852 50 40 HFGB CCCCCn1nc(C(=O)NNC(=O)c2n[nH]c3ccccc23)c2ccccc2c1=O 6982133 ZFESHMHUOHUWMN-UHFFFAOYSA-N 418.457 2.538 50 40 HFGB CCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1 7787115 CHJICEBIZKWRBA-SRZZPIQSSA-N 404.264 2.614 50 40 HFGB O=C(COc1ccccc1-c1ccccc1)NNC(=O)Cc1cn2ccsc2n1 12507112 AZTAYVUZVPNKLZ-UHFFFAOYSA-N 406.467 2.832 50 40 HFGB C[C@@H](Cc1ccc2c(c1)O[C@H](C(=O)OC(=O)O)O2)NC[C@H](O)c1cccc(Cl)c1 78585077 KEYJFXTXWGRDMM-SGJUXQJHSA-N 421.833 2.913 50 40 HFGB COc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCC(=O)OC(C)C 408605050 WOXKJEXXBQZVMY-NHDPSOOVSA-N 415.402 2.698 50 40 HFGB O=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)N/N=C\c1ccccc1O 16491162 ZLCHNIDLXKKQOE-JCMHNJIXSA-N 415.515 2.866 50 40 HFGB Cc1ccc(O)c(/C=N/NC(=O)CNc2ccc(I)cc2)c1 409266708 RDRPVECNUHOQKL-DJKKODMXSA-N 409.227 2.867 50 40 HFGB COCc1c(Br)c(C)nc(OCC(=O)N/N=C/c2ccccc2)c1C#N 1084166 LKKTVKZCEXAXNP-ZVBGSRNCSA-N 417.263 2.700 50 40 HFGB CSc1ccc([C@@H]2CC(=O)NC(SCC(=O)NC[C@H]3CCCO3)=C2C#N)cc1 6454109 MFUNWOXJYTUXRU-ZBFHGGJFSA-N 417.556 2.776 50 40 HFGB COCc1c(Br)c(C)nc(OCC(=O)N/N=C/c2ccc(C)o2)c1C#N 9367637 RAWPOXIPNNLXJD-IFRROFPPSA-N 421.251 2.601 50 40 HFGB Cn1c(CC(=O)NNC(=O)c2ccc(-n3cnc4ccccc43)cc2)nc2ccccc21 12506082 CXRSPTSDLRCXSU-UHFFFAOYSA-N 424.464 2.916 50 40 HFGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(C)c(C)c2C)S(C)(=O)=O)cc1 20210750 IJSWJKMALLRUME-LPYMAVHISA-N 417.531 2.927 50 40 HFGB COC(=O)c1ccc(Cn2cc(/C=C(/C#N)C(=O)N3CCOCC3)c3ccccc32)o1 409391915 KHMKWWAWWBXEAC-VBKFSLOCSA-N 419.437 2.835 50 40 HFGB Cc1ccc(SCC(=O)NNC(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)cc1 9912491 XBLVIXZEVNVKIA-UHFFFAOYSA-N 413.543 2.962 50 40 HFGB COc1ccc(Cl)cc1N1C[C@H](C(=O)NNC(=O)c2ccccc2Cl)CC1=O 28772396 GCTQFUKDJIBQNS-LLVKDONJSA-N 422.268 2.816 50 40 HFGB Cc1ccc(C(=O)[C@H](C)OC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)cc1 408685641 PPJCYNNADRKADN-YNBOFDDXSA-N 407.260 2.680 50 40 HFGB C=CCOc1cccc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)c1 408885391 ZEFFFYBTBNWNII-HYARGMPZSA-N 415.515 2.785 50 40 HFGB CC1=C(C(=O)OC(C)C)[C@@]2(C(=O)Nc3ccc(Br)cc32)C(C#N)=C(N)O1 1300191 HOFLTBVNAZXHQQ-SFHVURJKSA-N 418.247 2.589 50 40 HFGB COc1cc(SC)ccc1C(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1 2662970 HRTSGFFSKHREHV-UHFFFAOYSA-N 406.460 2.518 50 40 HFGB O=C(COc1ccc(Br)cc1)N/N=C1\C(=O)Nc2ccc(Cl)cc21 5093073 MXFRTAXZLXDOJY-UHFFFAOYSA-N 408.639 2.954 50 40 HFGB COc1cc(/C=N/NC(=O)c2cccs2)c(Br)cc1OCC(=O)O 16158267 UDUXIUPXPPWZDI-REZTVBANSA-N 413.249 2.747 50 40 HFGB CCOc1cc(/C=N/NC(=O)CN2CCOCC2)ccc1OCc1ccc(C)cc1 19855227 FIPKWBLKFMZEBM-BUVRLJJBSA-N 411.502 2.755 50 40 HFGB Cc1ccc(O[C@H](C)C(=O)NNC(=O)c2ccc3c(c2)OCO3)c(Br)c1 40140308 BJSQPDOMKLSZFO-LLVKDONJSA-N 421.247 2.715 50 40 HFGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(SC)cc2)S(C)(=O)=O)cc1 58918963 LCQHFJSNVDJZKN-DEDYPNTBSA-N 421.544 2.724 50 40 HFGB CC(C)NC(=O)C(=O)N/N=C/c1cc(Br)ccc1NCc1ccco1 408708010 NFVKNVXTGZXBPC-AWQFTUOYSA-N 407.268 2.629 50 40 HFGB CCOc1ccc(-n2nc(C(=O)N/N=C/c3cccs3)c(C)c(C#N)c2=O)cc1 409060797 WBEHRXZZQFGASQ-WSDLNYQXSA-N 407.455 2.637 50 40 HFGB O=C(NNC(=O)c1cccc(Cl)c1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 3333187 LOOUIQUXTZZFIH-UHFFFAOYSA-N 421.906 2.589 50 40 HFGB C=CCOC(=O)C1=C(C)NC(SCC(N)=O)=C(C#N)[C@H]1c1ccc(Cl)cc1 20083343 BBCHWQXTNVDKAA-QGZVFWFLSA-N 403.891 2.984 50 40 HFGB CCOc1ccc(/C=N\NC(=O)c2nn(-c3ccccc3)c(=O)c(C#N)c2C)cc1 409073968 UZZHKFOZTCQOTH-OYKKKHCWSA-N 401.426 2.575 50 40 HFGB CCC(=O)NNC(=O)CSc1nnc2c3c(C)c(C)sc3nc(C(C)C)n12 4848148 NWTLAKUEJDTWFQ-UHFFFAOYSA-N 406.537 2.729 50 40 HFGB C=CCN1C(=O)/C(=N/NC(=O)[C@@H](O)c2ccccc2)c2cc(Br)ccc21 5624824 GOLDADNPEWURPA-QFGIDJEJSA-N 414.259 2.536 50 40 HFGB CCOc1ccc(CC(=O)N/N=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 10315738 YURHTSRRLATJMR-PXLXIMEGSA-N 412.446 2.523 50 40 HFGB CCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 34966701 BDGWCMQXJDFKFP-UHFFFAOYSA-N 422.850 2.596 50 40 HFGB Cc1cc(C(F)(F)F)nn1C[C@@H](C)C(=O)N/N=C/c1ccn(CC(F)(F)F)n1 252498353 QZKLJFRQWXODRQ-WLWQSCDISA-N 410.322 2.756 50 40 HFGB CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cc4c(cc3Cl)OCO4)[C@@H]2C1 808899 SHTZBCISEYFJEY-DNVCBOLYSA-N 407.861 2.814 50 40 HFGB Nc1ccc(P(=O)(O)c2ccc(N)cc2Br)c(Br)c1 1870317 XYNNPPFBKBXOQF-UHFFFAOYSA-N 406.014 2.597 50 40 HFGB CCN1CCC(=NNC(=O)CCCCCCC(=O)NN=C2CCN(CC)CC2)CC1 4650849 GOISPWCQIIASBO-UHFFFAOYSA-N 420.602 2.503 50 40 HFGB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2 7986979 XTCPLZXBPKQTHP-UHFFFAOYSA-N 410.518 2.550 50 40 HFGB CC(C)Oc1ccc(C(=O)NNC(=O)c2cccn(Cc3ccc(F)cc3)c2=O)cc1 23109327 QIIOWXFZBKTXHP-UHFFFAOYSA-N 423.444 2.898 50 40 HFGB CCOc1cc(C(=O)NN)cc(I)c1OCc1ccccc1 216837382 ZPLIZDOHJHRIIG-UHFFFAOYSA-N 412.227 2.872 50 40 HFGB COc1cc(Br)cc(/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])c1O 3036740 FCDXENYHIXGTOO-QGMBQPNBSA-N 424.207 2.601 50 40 HFGB C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc2cc(OCC)ccc2[nH]c1=O 4131460 FHVRDZCIQJEKAF-LJQANCHMSA-N 407.426 2.738 50 40 HFGB CCOc1ccc(C(=O)NNC(=O)c2ccccc2OC[C@@H]2CCCO2)cc1OC 12755880 NLYVJWCCIMRYAQ-INIZCTEOSA-N 414.458 2.727 50 40 HFGB CCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)N2CCN(CC)CC2)c1C 22287065 FGRHCGHEDWSWLP-OFBHVFLISA-N 400.523 2.518 50 40 HFGB CCCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cc(C)cc(C)c1 6428427 VFNPBSAMTPOMRW-AFUMVMLFSA-N 424.501 2.687 50 40 HFGB C=CCNc1sc2c3c(c(=O)[nH]c2c1C#N)[C@@H](c1cccnc1)C(C#N)=C(N)O3 15085076 IIANLUCUNMLVCO-ZDUSSCGKSA-N 402.439 2.672 50 40 HFGB Cc1ccc(C(=O)NNC(=O)CN(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 25789657 RHUXNIIBHSVBHV-UHFFFAOYSA-N 423.300 2.633 50 40 HFGB COc1cc(/C=N/NC(=O)c2ccncc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 38818464 RXEIBPHYIOCQMI-YDZHTSKRSA-N 420.381 2.982 50 40 HFGB COc1ccc(Cl)cc1C(=O)NN[C@H]1CC(=O)N(Cc2ccc(Cl)cc2)C1=O 2656252 HYKREYYJOYEFRS-HNNXBMFYSA-N 422.268 2.564 50 40 HFGB N#CC(C(=O)CSc1nnc(Cc2ccccc2F)n1N)=C1Nc2ccccc2N1 3288286 ZFCKUVBCTXBOHF-UHFFFAOYSA-N 421.461 2.656 50 40 HFGB COCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)Nc2cccc(OC)c2)c1C 3450794 KCYGVTMDRTVIAX-WOJGMQOQSA-N 411.458 2.849 50 40 HFGB Cc1c(NC(=O)/C(C#N)=C/c2ccc3c(c2)OCO3)c(=O)n(-c2ccccc2)n1C 4823496 BXQQCSMELJZPNH-MHWRWJLKSA-N 402.410 2.759 50 40 HFGB COc1c(O)cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccccc4)c32)cc1[N+](=O)[O-] 8783198 IGKWDYASPQKCRB-HNNXBMFYSA-N 405.370 2.917 50 40 HFGB C=CCOC(=O)C1=C(C)NC(SCC(N)=O)=C(C#N)[C@@H]1c1ccc(OCC)cc1 20100875 DSXWBJBNLZSFJB-IBGZPJMESA-N 413.499 2.729 50 40 HFGB COc1ccc(C(=O)NNC(=O)Cc2nc(-c3cccs3)oc2C)cc1OC 24758998 NEGBIEIMSGKGDT-UHFFFAOYSA-N 401.444 2.732 50 40 HFGB Cc1c(C(=O)N/N=C/c2cc([N+](=O)[O-])cc(Br)c2O)sc(N)c1C#N 408723847 VDFGKXJJUYKBOG-BLLMUTORSA-N 424.236 2.651 50 40 HFGB Cc1ccc(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C(=O)OCCCl)cc1 4606550 XKZZEJBUJZXPEM-UHFFFAOYSA-N 410.835 2.927 50 40 HFGB C/C(CCC(C)C)=N\NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 4964941 VRAQLPKDZBRXDT-HEHNFIMWSA-N 409.552 2.568 50 40 HFGB Cc1ccc(-n2cnnc2SCC(=O)NNC(=O)Cc2ccccc2)cc1Cl 27587829 OHCYNFMFIIVMFQ-UHFFFAOYSA-N 415.906 2.711 50 40 HFGB COCCCNC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccccc2C(F)(F)F)c1C 58911695 SGPVQDXPMKJZMW-BRJLIKDPSA-N 424.423 2.716 50 40 HFGB O=C(N/N=C/c1cccc([N+](=O)[O-])c1O)c1cccc(I)c1 409094151 CJHMOWZIGIEMCJ-LZYBPNLTSA-N 411.155 2.669 50 40 HFGB CCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cc(C)ccc2C)cc1 6647856 HZIADVPGBJNQDQ-AFUMVMLFSA-N 424.501 2.687 50 40 HFGB O=C(Cc1cccc2ccccc12)NNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 12881024 RCTODMXEHDDEKF-UHFFFAOYSA-N 419.846 2.954 50 40 HFGB Cc1ccc(/C=N/NC(=O)CN(c2cccnc2)S(=O)(=O)c2ccccc2)cc1 19952619 YVXVOWQJNAICJR-OEAKJJBVSA-N 408.483 2.736 50 40 HFGB CCOC(=O)NC(=O)/C(C#N)=C\Nc1c(F)cc(Cl)cc1SCC(=O)OC 100911952 LBCYLHAKDQCSCO-CLFYSBASSA-N 415.830 2.836 50 40 HFGB Cc1ccc(N2C[C@@H](C(=O)NNC(=O)c3cccc(Br)c3)CC2=O)cc1 408615267 OFHPSVIWGGQWJK-AWEZNQCLSA-N 416.275 2.572 50 40 HFGB COc1ccc([C@H]2C(C#N)=C(N)N(N3CCOCC3)C3=C2C(=O)CC(C)(C)C3)cc1 690888 VNLFPEBJALPVSE-FQEVSTJZSA-N 408.502 2.679 50 40 HFGB CC1=C(C(=O)OCc2ccccc2)[C@]2(C(=O)Nc3cccc(C)c32)C(C#N)=C(N)O1 17143953 KAFJVCVDRROCOB-QHCPKHFHSA-N 401.422 2.926 50 40 HFGB Cc1ccccc1N(CC(=O)N/N=C/c1c(O)ccc2ccccc12)S(C)(=O)=O 19954837 XMLUEWLYWCPGGA-LPYMAVHISA-N 411.483 2.770 50 40 HFGB O=C(NCc1ccccc1)NNC(=O)c1cccn(Cc2cccc(Cl)c2)c1=O 23136069 AUIOPDJTLDBCGA-UHFFFAOYSA-N 410.861 2.694 50 40 HFGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)NCc3cccnc3)c2C)c(C)c1 58912337 GZMRVLXLFHBSRP-VULFUBBASA-N 403.486 2.872 50 40 HFGB CCc1cccc(CC)c1N1/C(=N\C(=O)CCl)S[C@@H]2CS(=O)(=O)C[C@H]21 101317216 BEWTUNSUZCQTMT-MQINBFPNSA-N 400.953 2.652 50 40 HFGB Cc1cccc(N2C(=O)[C@H](Cc3cccc([N+](=O)[O-])c3)S/C2=C(/C#N)C(N)=O)c1 1866789 DFERZOQMGAYTGK-IMGOXIFKSA-N 408.439 2.815 50 40 HFGB CCc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2ccc(C)cc2)cc1 5047310 OEUIMTDCDRKXBU-FSJBWODESA-N 416.445 2.534 50 40 HFGB Cc1cc(C)n2nc(C(=O)N/N=C\c3c(C)nn(-c4ccccc4)c3Cl)nc2n1 33333605 CSZARCBAOWXSOB-FBHDLOMBSA-N 408.853 2.653 50 40 HFGB Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(N(C)C)cc1)S(C)(=O)=O 408781689 FEMKORFCFZCMTL-CIAFOILYSA-N 422.938 2.631 50 40 HFGB COc1ccccc1[C@H]1C(C#N)=C(N)N(N2CCOCC2)C2=C1C(=O)CC(C)(C)C2 691440 GFGKZEWYQBEPES-FQEVSTJZSA-N 408.502 2.679 50 40 HFGB Cn1c(SCC(=O)N/N=C/c2ccc(O)cc2O)nnc1-c1cccc(Cl)c1 2263842 RBDWYIICTLEASY-AWQFTUOYSA-N 417.878 2.789 50 40 HFGB Cc1ccsc1/C=c1\sc2n(c1=O)C(N)=C(C#N)[C@H](c1sccc1C)C=2C#N 3169385 ZBSPPCWVRDZXEI-UJPCXNRSSA-N 422.560 2.601 50 40 HFGB CCOc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 6538245 SXIXBDZZNROWSJ-LPYMAVHISA-N 417.531 2.781 50 40 HFGB COc1cc(/C=N\NC(=O)c2ccc3c(c2)OCCO3)cc(Br)c1O 36489943 YQDDSOOXODKAJS-OCKHKDLRSA-N 407.220 2.698 50 40 HFGB Cc1ccc(C)c(NC(=O)C(=O)N/N=C/c2cc3c(cc2Br)OCO3)c1 59516019 MFADPNKWGUAAPA-DNTJNYDQSA-N 418.247 2.883 50 40 HFGB O=C(ON=C1C=CC(=NNC(=O)c2ccccc2O)C=C1)c1ccc([N+](=O)[O-])cc1 6438466 AJZCXUHORUQPMH-UHFFFAOYSA-N 406.354 2.725 50 40 HFGB O=C(COC(=O)CCC(=O)Nc1cccc2ccccc12)NNC(=O)c1ccccc1 8415752 QDKKQRNGMAVJIO-UHFFFAOYSA-N 419.437 2.563 50 40 HFGB O=C1[C@H]2[C@@H]3C[C@@H]([C@@H](Br)[C@@H]3Br)[C@@H]2C(=O)N1c1cccc(O)c1 169615960 LIAJPCACUBPKDT-LIBFEPKXSA-N 415.081 2.675 50 40 HFGB C/C(=N\NC(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O)c1ccc([N+](=O)[O-])cc1 408779016 OXRSOOZSCMYWQO-HMMYKYKNSA-N 418.475 2.518 50 40 HFGB Cc1ccc(C(=O)NNC(=O)C[C@@H]2SC(=S)N(Cc3ccccc3)C2=O)cc1 9189419 GBXYXRBZZRDFGZ-INIZCTEOSA-N 413.524 2.575 50 40 HFGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(C)c(C)c2)c1 409269504 JWTQHBGMJRBXEN-ZRWQFTNJSA-N 424.501 2.686 50 40 HFGB Cc1cccc(C(=O)Nc2nnc(CC(=O)N/N=C/c3ccc4c(c3)OCO4)s2)c1 677161 XKBORHGLVSYYJC-UFFVCSGVSA-N 423.454 2.520 50 40 HFGB Cc1cc([N+](=O)[O-])nn1Cc1ccc(C(=O)N/N=C/c2ccc(N(C)C)cc2)cc1 2321165 YTQKDGBQZOOVHF-LPYMAVHISA-N 406.446 2.978 50 40 HFGB C/C(CC(=O)NCc1ccco1)=N\NC(=O)COc1ccc(Br)c(C)c1 13549992 YGQOMQQWBLQTMA-FYJGNVAPSA-N 422.279 2.928 50 40 HFGB O=C(CP(=O)(c1ccccc1)c1ccccc1)N/N=C/c1ccc2c(c1)OCO2 1101614 CSRORKNUIUPGPH-OEAKJJBVSA-N 406.378 2.880 50 40 HFGB COCCNC(=O)C(=O)N/N=C/c1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C 4091315 MMWBTPCXFNBBML-LSHDLFTRSA-N 411.289 2.614 50 40 HFGB Cc1ccc(CN(C)CC(=O)NNC(=O)c2ccccc2Br)c(C)c1 7920612 OFTNMGFXMMEVFB-UHFFFAOYSA-N 404.308 2.959 50 40 HFGB CCOC(=O)C1=C(c2ccccc2)NC(SCC(N)=O)=C(C#N)[C@H]1c1ccco1 20136811 LDJCDDVCPMZYFN-KRWDZBQOSA-N 409.467 2.894 50 40 HFGB CCn1c(NNC(=O)C2(CC(=O)NC(C)(C)C)CCCC2)nc2ccccc2c1=O 29861036 XQSFFUBEXUVSPX-UHFFFAOYSA-N 413.522 2.725 50 40 HFGB COc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCC(=O)O)c(OC)c2)c(OC)c1 109016412 QGGRKYZQZADCBN-ZVBGSRNCSA-N 422.821 2.593 50 40 HFGB COc1ccc(-c2ccc(/C=N/NC(=O)CC3(C)OCCCO3)o2)c([N+](=O)[O-])c1 408719319 LDAOPXFRARYAMG-UDWIEESQSA-N 403.391 2.857 50 40 HFGB O=C(CN(Cc1ccco1)S(=O)(=O)c1ccccc1)N/N=C/c1cccs1 408979258 LVCGHJRQAOPGTM-XDHOZWIPSA-N 403.485 2.682 50 40 HFGB Cc1cc(C)n(CC(=O)N/N=C/c2c(C)nn(Cc3ccc(F)cc3)c2Cl)n1 7778488 PNRVHBNPXGPDCI-LSFURLLWSA-N 402.861 2.996 50 40 HFGB C/C(=N\NC(=O)CN1CCN(Cc2ccccc2Cl)CC1)c1cccc(O)c1 20065423 WEAMOFBQHDRWBC-XQNSMLJCSA-N 400.910 2.704 50 40 HFGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccc(C(F)(F)F)c1)c1ccccc1F 20211608 CSNIIHJMUOCCHN-LSHDLFTRSA-N 417.384 2.761 50 40 HFGB Cc1ccc(C)c(-n2c(C)cc(/C=N/NC(=O)C(=O)NCc3ccncc3)c2C)c1 58912412 PWYBPDWXTKADDM-VULFUBBASA-N 403.486 2.872 50 40 HFGB C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc2cc(OCC)ccc2[nH]c1=O 4131461 FHVRDZCIQJEKAF-IBGZPJMESA-N 407.426 2.738 50 40 HFGB CC(C)[C@@H](NC(=O)Cc1cccs1)C(=O)N/N=C\c1ccc(Br)o1 6307092 WFVQLFOUGBEEGH-FNMPFJKNSA-N 412.309 2.937 50 40 HFGB O=C(NNC(=O)c1cc(-c2ccccc2)n[nH]1)c1ccc(OC[C@@H]2CCCO2)cc1 6508668 ISMFIXXJYPXTSD-SFHVURJKSA-N 406.442 2.709 50 40 HFGB CCOC(=O)c1ccccc1N/C=C1\C(=O)N(C[C@@H]2CCCO2)C(=O)C(C#N)=C1C 9060812 URSHTHXYBGXHRW-BRYHAGSVSA-N 409.442 2.547 50 40 HFGB COc1ccc(OC)c([C@@H]2[C@@H]3CN(C(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)c1 13116844 IDEYSEQIMFVWJK-TZIWHRDSSA-N 403.486 2.838 50 40 HFGB CCCCOc1ccc(/C=N/NC(=O)CN(c2ccccc2F)S(C)(=O)=O)cc1 20211597 XOAGWFOPOJACMS-HYARGMPZSA-N 421.494 2.921 50 40 HFGB Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)C2)c1 40142773 OQLFVCGTESWJJN-KRWDZBQOSA-N 424.457 2.525 50 40 HFGB CSc1ccc(/C=N/NC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)cc1 2085274 SLHDHXMBLJYEBG-UDWIEESQSA-N 405.545 2.942 50 40 HFGB CCOc1ccccc1OCC(=O)N/N=C/c1ccc(I)o1 3068645 IHJJNZHVBPFGHB-RQZCQDPDSA-N 414.199 2.812 50 40 HFGB O=C(CSc1nnc(Nc2ccccc2F)s1)NNC(=O)c1ccccc1 6649596 WPWPJXRYVHDZGK-UHFFFAOYSA-N 403.464 2.974 50 40 HFGB COCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)Nc2cc(C(C)C)no2)c1C 9465933 UEHZGULKDYUJSV-RQZCQDPDSA-N 414.462 2.952 50 40 HFGB C=CCOc1cccc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)c1 20208286 MPVIEVAGQDPWAT-HYARGMPZSA-N 415.515 2.785 50 40 HFGB Cc1cc(C(=O)NNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)c(C)n1-c1ccccc1 40074803 UJEBBIBJIWOBDV-UHFFFAOYSA-N 418.413 2.953 50 40 HFGB O=C(NCc1ccc(/C=N/NC(=O)c2ccco2)o1)C(=O)Nc1cccc(Cl)c1 408868159 NRCBJQIRPNTHII-SSDVNMTOSA-N 414.805 2.545 50 40 HFGB COc1ccc(CCN2C(=O)CS/C2=N/NC(=O)c2ccccc2F)cc1OC 4231751 SUMWMRFVDBQFIH-BSYVCWPDSA-N 417.462 2.662 50 40 HFGB COc1cc(C)ccc1C(=O)N/N=C/c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1 4507699 GXBFFKDEJDVZCX-WSDLNYQXSA-N 413.455 2.675 50 40 HFGB CCCc1cc2c(=O)n([C@H](C)C(=O)N/N=C(\C)c3cn(C)nc3C)cnc2s1 6462348 RLZYIIJJASKTEN-SRRANQMSSA-N 400.508 2.554 50 40 HFGB O=C(NNS(=O)(=O)c1ccc(Br)cc1)c1cc2c(s1)CCC2 12799476 ZOSJNCSLUAYJRN-UHFFFAOYSA-N 401.307 2.623 50 40 HFGB CCOc1ccc(N(CC(=O)N/N=C(\C)CCc2ccccc2)S(C)(=O)=O)cc1 19955038 CGTJJBMVWSIHTE-OQKWZONESA-N 417.531 2.976 50 40 HFGB CCOC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1OC 34856819 KUHWMXXUGQFRJS-SXGWCWSVSA-N 424.409 2.881 50 40 HFGB Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)C(=O)NCc3cccnc3)c2C)c1 408973559 UHOJOSIVIUGILD-VULFUBBASA-N 403.486 2.872 50 40 HFGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)cc(Br)c1O 8025976 PQUDPMKTRHAUAG-DJKKODMXSA-N 406.236 2.561 50 40 HFGB CC(C)c1ccc(/C=N\NC(=O)CN(CCc2ccccc2)S(C)(=O)=O)cc1 107926609 YUASUTHWQFDOAN-JCMHNJIXSA-N 401.532 2.764 50 40 HFGB COc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)C(C(N)=O)=C(C)N2)cc1 4019946 OCLMOSRGJBDBQB-IBGZPJMESA-N 424.482 2.841 50 40 HFGB COCCCNC(=O)CSC1=C(C#N)[C@@H](c2ccc(SC)cc2)CC(=O)N1 6441097 DWQOBJKAQVTSKV-OAHLLOKOSA-N 405.545 2.633 50 40 HFGB COc1ccc(OC)c(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1 8114323 PTDDJRWLVWLTCO-DACUGSJHSA-N 401.850 2.860 50 40 HFGB Cn1nc(C(=O)NNC(=O)CSc2ccc3ccccc3c2)c2ccccc2c1=O 12981450 GKQLAVAAGMUTAI-UHFFFAOYSA-N 418.478 2.640 50 40 HFGB CCOc1cc(/C=N/NC(=O)c2ccncc2)cc(I)c1O 919036 ILXOOVFWZYODCD-GIJQJNRQSA-N 411.199 2.554 50 40 HFGB COc1cc2c(cc1/C=C/C(=O)NNC(=O)COc1cc(C)cc(C)c1)O[C@H](C)C2 7987046 RMMUWAIDGQIVBZ-SQRWCISFSA-N 410.470 2.875 50 40 HFGB COc1ccccc1OCC(=O)N/N=C\c1ccc(OCC(=O)OC(C)C)cc1 409188146 BJKXWIBEPJSUSF-UUYOSTAYSA-N 400.431 2.555 50 40 HFGB COC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc2cc3c(cc2nc1Cl)OCCO3 891982 CTGMCLQXAGAFRX-QGZVFWFLSA-N 413.817 2.914 50 40 HFGB O=C(CCN1C(=O)COc2ccccc21)NNC(=O)CC12CC3CC(CC(C3)C1)C2 8191150 YZWNYWWYJFJQMZ-UHFFFAOYSA-N 411.502 2.556 50 40 HFGB COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)c([N+](=O)[O-])cc1OCc1ccccc1 409210317 JZMMJMKHNGLNAK-WOJGMQOQSA-N 423.425 2.948 50 40 HFGB O=C(NNc1c(F)c(F)cc(F)c1F)c1cccc(S(=O)(=O)N2CCCC2)c1 2635611 YUIALBPNTIOFOE-UHFFFAOYSA-N 417.384 2.784 50 40 HFGB Cc1ccc(C)c2c1NC(=O)/C2=N\NC(=O)COc1cccc(Br)c1 5442764 MBDIVJVGCKKVJE-UHFFFAOYSA-N 402.248 2.917 50 40 HFGB C[C@@H]1C(C#N)=C(SCC(=O)Nc2ccc(Br)cc2)NC(=O)[C@H]1C#N 8973516 YWVULHSUJRJAKQ-CABZTGNLSA-N 405.277 2.762 50 40 HFGB Cc1ccc(OCc2ccc(C(=O)NNC(=O)[C@H]3COc4ccccc4O3)o2)cc1 13021460 ZJRCBRRREADEGM-HXUWFJFHSA-N 408.410 2.768 50 40 HFGB COc1ccc(CCC(=O)NNC(=O)Cc2ccc(F)cc2)cc1Br 30577226 RNAXPWUCGFZUSN-UHFFFAOYSA-N 409.255 2.920 50 40 HFGB Cc1ccc(S(=O)(=O)N[C@H](C(=O)N/N=C/c2c[nH]c3ccccc23)C(C)C)cc1 408756175 OASJJEMXMUDZIP-IYHCKTHZSA-N 412.515 2.930 50 40 HFGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(C)c(C)c1 409262138 CVPDYFDJOWAKGG-PDERCVKFSA-N 424.501 2.686 50 40 HFGB CCN(CC)C(=O)Cn1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)c2ccccc21 890555 WJFVBSNAJRFISG-XYSGSMRZSA-N 408.502 2.712 50 40 HFGB CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cc(OC)ccc3OC)[C@H]2C1 1305795 CRPJFFCFQDTCKF-PZJWPPBQSA-N 403.486 2.839 50 40 HFGB C=CCNC(=O)NC(=O)COC(=O)[C@H](Br)C12CC3CC(CC(C3)C1)C2 6598487 KDUQIQTWDVNOKX-ZJZJNUNYSA-N 413.312 2.521 50 40 HFGB CC[C@@H](C)C(=O)N(NC(=O)c1ccccc1)[C@@H]1CC(=O)N(c2cccc(OC)c2)C1=O 18223070 KXVFCWPRLUEJEW-DNVCBOLYSA-N 423.469 2.547 50 40 HFGB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NNC(=O)Cc1ccc(Cl)cc1 24305485 FBOFIIQIYIJKNB-UHFFFAOYSA-N 410.861 2.715 50 40 HFGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(C)cc1C 409265019 MFXNOKQVHNDMNG-ZRWQFTNJSA-N 424.501 2.686 50 40 HFGB Cc1cc(C)n2nc(SCC(=O)N/N=C/c3cccc(Br)c3)nc2n1 680267 JTADNKXPMRXHMA-QGMBQPNBSA-N 419.308 2.746 50 40 HFGB CCOC(=O)c1c(NC(=O)c2ccc(O[C@H](C)C(=O)NN)cc2)sc(C)c1C 958555 KJDOUOIBIHOYDM-LLVKDONJSA-N 405.476 2.551 50 40 HFGB COC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccc(SC)cc2)sc2c1CCC2 2405455 LKFJZTNIECVQQD-KEBDBYFISA-N 417.512 2.834 50 40 HFGB CCCNC(=O)/C(C#N)=C1\N=C(NC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21 5322618 PRNBKTKJGKQGSG-ZCXUNETKSA-N 403.398 2.546 50 40 HFGB O=C(NC[C@H]1CCCO1)C(=O)N/N=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1 58914436 XQDTVGCQJNIKRR-SKKJWADRSA-N 410.257 2.999 50 40 HFGB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNc1nc(Cl)nc(N(C)C)n1 857318 UQSZGTCEMYPHGR-ZETCQYMHSA-N 405.673 2.808 50 40 HFGB CCOC(=O)[C@H]1CC[C@H](CCBr)N1S(=O)(=O)c1ccc(C)cc1 4473360 FAYULWLMCUHXBM-UKRRQHHQSA-N 404.326 2.865 50 40 HFGB O=C(CSc1cccc2cccnc12)NNS(=O)(=O)c1ccccc1Cl 7382634 FMAOEAOYABPFPU-UHFFFAOYSA-N 407.904 2.990 50 40 HFGB O=C(NCc1ccccc1)[C@@H]1CC=CC[C@H]1C(=O)NNc1ncnc2ccccc12 7989036 ICEUPMXJFYIHGF-QZTJIDSGSA-N 401.470 2.972 50 40 HFGB C/C(=N\NC(=O)CN(c1ccccn1)S(=O)(=O)c1ccccc1)c1ccccc1O 19951281 JXIHYOJUEFZVOP-XQNSMLJCSA-N 424.482 2.523 50 40 HFGB C[C@H](C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1Cl)N(c1ccccc1)S(C)(=O)=O 408906239 DGAFQPCIPLYLII-ZGXHQARYSA-N 424.866 2.553 50 40 HFGB C=CCOc1ccc(/C=N/NC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)cc1 408908956 ZGXYOUMADIPRKL-WASCAKKMSA-N 401.488 2.556 50 40 HFGB CCCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cc(C)ccc2C)c1 6647890 HOLHYOPWHXEHBE-AFUMVMLFSA-N 424.501 2.687 50 40 HFGB CCOC(=O)C1=C(COC)OC(N)=C(C#N)[C@H]1c1ccc(OC)c(Br)c1 8397225 WJFNCLUSJBSQJF-OAHLLOKOSA-N 423.263 2.729 50 40 HFGB C[C@H]1C[C@@H]2C(=C3[C@@H]([C@@H]4C=C[C@@H]3[C@H]3C(=O)OC(=O)[C@H]43)[C@H]3C(=O)OC(=O)[C@H]23)c2ccccc21 104237381 ZLBYVLODINZAKY-PTJHGXMOSA-N 416.429 2.641 50 40 HFGB COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 9234491 AOCOCVVLYWTTGM-FOWTUZBSSA-N 408.414 2.986 50 40 HFGB CC(C)(OC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br)C(=O)c1ccccc1 408685084 ONRAGMRPHNTMRM-OJVARPOJSA-N 407.260 2.762 50 40 HFGB O=C(CNc1ccc(Cl)cc1)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1 408692681 SBBIMVHHSHXNHT-WSDLNYQXSA-N 417.853 2.647 50 40 HFGB NC(=O)N/N=C/c1c(Br)cc(Br)c(O)c1Br 863193 FFABZVPMNDRABU-XNJYKOPJSA-N 415.867 2.682 50 40 HFGB CC(=O)Nc1ccc(C(=O)N/N=C(\C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 5342657 MNRCRQVMJMIQBF-YDZHTSKRSA-N 411.418 2.996 50 40 HFGB Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C(\C#N)C(=O)N2CCOCC2)cc1 408759812 MGKUEFQXWTULEK-NBVRZTHBSA-N 412.467 2.529 50 40 HFGB CCOC(=O)COc1ccc(/C=N/NC(=O)COc2c(C)cccc2C)cc1OC 408916801 ZECODKVHZBVUTG-FSJBWODESA-N 414.458 2.783 50 40 HFGB COCc1cc(C)nc(OCC(=O)N/N=C/c2ccc(Br)cc2)c1C#N 1029930 BVHFBRSOGQPKCR-ZVBGSRNCSA-N 417.263 2.700 50 40 HFGB COc1ccc(C(=O)Nc2nnc(CC(=O)N/N=C/c3cccs3)s2)cc1 17123441 XXAKMLGMFPUIFU-VCHYOVAHSA-N 401.473 2.553 50 40 HFGB Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)C2)c1 40142774 OQLFVCGTESWJJN-QGZVFWFLSA-N 424.457 2.525 50 40 HFGB O=C(COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)NNC(=O)c1ccccn1 40142843 MGNPONVBQIOLQH-UHFFFAOYSA-N 409.829 2.806 50 40 HFGB O=C(Cc1nnc(NC(=O)C(Cl)Cl)s1)N/N=C/c1ccc(Cl)cc1 110494709 CKBYSBWXMLFYLP-UBKPWBPPSA-N 406.682 2.627 50 40 HFGB COCCNC(=O)/C(C#N)=C/c1c(Oc2ccccc2F)nc2c(C)cccn2c1=O 3644232 FYHJERXPXDXVCE-NTCAYCPXSA-N 422.416 2.604 50 40 HFGB CCOC(=O)COc1ccc(/C=N/NC(=O)[C@@H](C)Oc2ccccc2)cc1OC 4691563 CPWLTEZDPFJJEF-IKMPRTQCSA-N 400.431 2.555 50 40 HFGB O=C(NC[C@@H]1CCCO1)C(=O)N/N=C/c1cccc(OCc2ccccc2Cl)c1 59383487 YYOWCXZXFYXDJL-AMAFCZHPSA-N 415.877 2.664 50 40 HFGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccnc2)Cc2ccccc2)cc1 59459724 CWWUTKBRFFRIND-BUVRLJJBSA-N 422.510 2.731 50 40 HFGB Cc1cccnc1N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br 245230818 ZKYAEZPVIQTARD-ZKSVUJDCSA-N 414.097 2.672 50 40 HFGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccccc2)=C(C#N)[C@@H]1c1ccccc1 409124298 BDIRYGKPLRBZOG-RBUKOAKNSA-N 421.478 2.796 50 40 HFGB COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(I)c1O 33721667 UMWCGCBQRNCCGN-WDZFZDKYSA-N 412.227 2.971 50 40 HFGB Cc1ccc(-n2nc(C(=O)N/N=C\c3ccccc3O)c(C)c(C#N)c2=O)cc1Cl 409057514 GXZXJSGCBVUJAO-MYKKPKGFSA-N 421.844 2.844 50 40 HFGB COc1cc(N2CCOCC2)ccc1/C=N/NC(=O)COc1ccc(Cl)cc1 409239139 CCHCTYXNLCESDW-LPYMAVHISA-N 403.866 2.714 50 40 HFGB O=C(NN[C@H]1CC(=O)N(c2ccc(Br)cc2)C1=O)c1ccccc1Cl 857147 ZGGWABDEKUMXAB-AWEZNQCLSA-N 422.666 2.669 50 40 HFGB COc1cc(C(=O)NNC(=O)Cc2nc3ccccc3n2C)ccc1OCC(C)C 6566801 SGQORCKEANVUSE-UHFFFAOYSA-N 410.474 2.620 50 40 HFGB Cn1cc(Br)cc1C(=O)NNC(=O)c1c[nH]nc1-c1ccc(Cl)cc1 10261263 SBBWZEDQUMASNW-UHFFFAOYSA-N 422.670 2.906 50 40 HFGB CN(C)c1ccc(/C=N\NC(=O)Cc2ccc3c(c2)OCCO3)cc1Br 409361150 GTSCBNCARHNBPL-MTJSOVHGSA-N 418.291 2.979 50 40 HFGB CCc1ccc(OCC(=O)N/N=C/c2cc(OC)c(OC(C)=O)c(OC)c2)cc1 3445386 NTYCOYVOVAMKID-WSDLNYQXSA-N 400.431 2.721 50 40 HFGB O=C(NNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)c1ccc2c(c1)OCO2 12851315 YIFRAZZQMIHUNU-UHFFFAOYSA-N 422.768 2.711 50 40 HFGB CS(=O)(=O)N(CC(=O)N/N=C/c1c(F)cccc1Cl)c1ccccc1F 20211771 QFRKCUQYHHNNHA-AWQFTUOYSA-N 401.822 2.535 50 40 HFGB COC(=O)c1ccccc1C1=C([N+](=O)[O-])[C@@H](c2cccc([N+](=O)[O-])c2)C(C#N)=C(N)O1 22001064 FYFQXYXRXXBLTL-INIZCTEOSA-N 422.353 2.835 50 40 HFGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 213995004 FOPNBDOPKMZSKG-VBKFSLOCSA-N 408.414 2.986 50 40 HFGB O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1ccccc1I 409144633 LRYZELRQQMERDO-GIJQJNRQSA-N 408.195 2.713 50 40 HFGB COc1cc(/C=C(\C#N)C(=O)Nc2cccnc2)ccc1OCC(=O)N1CCCC1 409165502 YVLXBWJGLKEMNM-GZTJUZNOSA-N 406.442 2.637 50 40 HFGB COc1cccc(/C=N/NC(=O)COc2ccc(Cl)cc2)c1O[C@@H](C)C(=O)O 409230673 FGILSEUDEWDJHL-SQWLXVSWSA-N 406.822 2.730 50 40 HFGB Cn1cc(Br)cc1C(=O)NNS(=O)(=O)c1ccc(C(C)(C)C)cc1 12824276 QCGOVCNOEPDAQB-UHFFFAOYSA-N 414.325 2.708 50 40 HFGB C=CCOc1ccc(/C=C2\C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)cc1OC 16752360 SCXXIJVKSOUQEX-PDGQHHTCSA-N 424.453 2.805 50 40 HFGB COc1ccc(N2C[C@H](C(=O)NNC(=O)c3ccc(Cl)c(Cl)c3)CC2=O)cc1 408616621 ZQJCLMYNTJPNOX-GFCCVEGCSA-N 422.268 2.816 50 40 HFGB COC(=O)Oc1ccc(/C=N/NC(=O)Cc2ccc(OC)c(OC)c2)cc1OC 408825814 AOUATARBXHZHIJ-CIAFOILYSA-N 402.403 2.550 50 40 HFGB Cc1ccc(OCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)c(Br)c1 711553 IOPAUPWBVHNLHG-QGMBQPNBSA-N 408.208 2.900 50 40 HFGB O=C(CNc1ccc(I)cc1)N/N=C/c1ccc([N+](=O)[O-])cc1 1421557 KGTHNAQINJDBSN-GIJQJNRQSA-N 424.198 2.762 50 40 HFGB COc1cc(OC)cc(C(=O)NNC(=O)[C@H](C)Oc2cccc(Br)c2)c1 12741666 GQISDLJSSAJXAQ-NSHDSACASA-N 423.263 2.695 50 40 HFGB C/C(=N\NC(=O)[C@H]1COc2ccccc2O1)c1cccc(I)c1 20247058 TTYDMNPGHBTTOU-YDDPGSGASA-N 422.222 2.971 50 40 HFGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CN2CCCCC2)cc1 28214325 UZKJTNBBMXIOLQ-BUVRLJJBSA-N 424.501 2.649 50 40 HFGB COc1ccccc1N1CCN(C(=O)C(=O)N/N=C/c2ccc(C(C)(C)C)cc2)CC1 408996428 DRFVHFBPQQROON-KOEQRZSOSA-N 422.529 2.792 50 40 HFGB CC1=C(C(=O)OC(C)C)[C@]2(C(=O)Nc3ccc(Br)cc32)C(C#N)=C(N)O1 1300192 HOFLTBVNAZXHQQ-GOSISDBHSA-N 418.247 2.589 50 40 HFGB C[C@H](CC(=O)NNC(=O)c1ccc(Br)cc1)CC(=O)N1CCCCC1 4715546 CCEHQUDPOJULOJ-CYBMUJFWSA-N 410.312 2.639 50 40 HFGB CC(C)[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)C(C#N)=C1Nc2ccccc2N1 5937426 DMFJXPZMEWEFPK-FQEVSTJZSA-N 418.453 2.826 50 40 HFGB O=C(CNC(=O)C1CCCCC1)NNC(=O)c1ccc(COc2ccccc2)cc1 6785537 QWPJBEBOCVXRCU-UHFFFAOYSA-N 409.486 2.723 50 40 HFGB COc1cccc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)c1 8166674 UYMSIQDUPRZDSW-FVUPAENESA-N 416.275 2.961 50 40 HFGB C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)cc1OC 13424465 XLULTKCGHUEVLU-UJMHRVFCSA-N 419.275 2.672 50 40 HFGB CSc1ncc(Br)c(C(=O)NNC(=O)c2ccc(Cl)cc2)n1 27991277 QQJRKGHIMUMXEW-UHFFFAOYSA-N 401.673 2.689 50 40 HFGB Cc1cc(CO)c(C(=O)NN)c(SCC(=O)Nc2ccc(Cl)cc2Cl)n1 4727136 MVDVTLZWIOUVKY-UHFFFAOYSA-N 415.302 2.523 50 40 HFGB NC(=O)C[C@H](NC(=O)Oc1ccccc1)C(=O)NN(c1ccccc1)c1ccccc1 409004432 XCIVXHWCVRVJAG-FQEVSTJZSA-N 418.453 2.889 50 40 HFGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccncc2)C2CCCCC2)cc1 4591786 JSMDGDRPJAXGBJ-HZHRSRAPSA-N 414.531 2.864 50 40 HFGB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)[C@@H]1CCCC[C@@H]1C(=O)O 4657090 JAUAZQISBASICJ-JLLWLGSASA-N 403.262 2.799 50 40 HFGB COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c1O 9311356 KAJLYXCAZZNDCI-OEAKJJBVSA-N 421.409 2.695 50 40 HFGB CN(NC(=O)c1ccc(CN2C(=O)c3ccccc3S2(=O)=O)cc1)c1ccccc1 12921752 CDRWPDIORDARDR-UHFFFAOYSA-N 421.478 2.813 50 40 HFGB Cc1c(Br)c(/C=N/NC(=O)CN2CCOCC2)c(C)n1-c1ccccc1 20243786 PRYXRPHJTAGIAL-CIAFOILYSA-N 419.323 2.639 50 40 HFGB COc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)cc1 59421966 MCAJZGHMCHZPFT-UHFFFAOYSA-N 403.438 2.951 50 40 HFGB CCOc1ccc(/C=N/NC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1 408783493 LVOZQWGSLFIAOL-CIAFOILYSA-N 423.922 2.963 50 40 HFGB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccncc1 408880391 ISOQQJDIVYXDBU-OEAKJJBVSA-N 412.446 2.566 50 40 HFGB O=C(N/N=C/c1ccc(O)cc1)c1ccc(C(=O)N/N=C/c2ccc(O)cc2)cc1 5569284 ZKVPXTNXHCVFNI-RNIAWFEPSA-N 402.410 2.626 50 40 HFGB Cn1cc(C(=O)NNS(=O)(=O)c2ccccc2Br)c2ccccc21 7907424 ODXJENIRVOHEGS-UHFFFAOYSA-N 408.277 2.564 50 40 HFGB COc1cc(C)ccc1C(=O)N/N=C/c1ccc(OCC(=O)O)c(Br)c1 8843062 WIQADVIWLCBZNW-AWQFTUOYSA-N 421.247 2.993 50 40 HFGB COc1cc(/C=C(/C#N)C(=O)N2CCOCC2)ccc1OCc1cccc(C(=O)O)c1 16158350 FCJSBDMGJOHRBI-ODLFYWEKSA-N 422.437 2.738 50 40 HFGB CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cc([N+](=O)[O-])ccc3Cl)[C@H]2C1 16681486 RISJWVVTIVCHNO-FUHWJXTLSA-N 408.849 2.993 50 40 HFGB O=C(NNC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(Cl)cc1 34966912 AZSYMHJNVCNRRZ-UHFFFAOYSA-N 413.242 2.851 50 40 HFGB O=C(NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F 104384180 DLOWRKICBRDMJY-UHFFFAOYSA-N 424.088 2.800 50 40 HFGB Nc1nnc(CC(=O)N/N=C/c2cn(Cc3ccccc3F)c3ccccc23)s1 1093753 QACOBIIFMMBERY-AUEPDCJTSA-N 408.462 2.955 50 40 HFGB COc1ccc(N2C(=O)C[C@@H](NNC(=O)c3cc(Cl)ccc3Cl)C2=O)cc1 5859843 QLMPZUUEECNAGR-OAHLLOKOSA-N 408.241 2.569 50 40 HFGB O=C1[C@@H]2[C@@H]3C[C@@H]([C@@H](Br)[C@H]3Br)[C@@H]2C(=O)N1c1cccc(O)c1 100749085 LIAJPCACUBPKDT-DIQHKMFBSA-N 415.081 2.675 50 40 HFGB COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)OCC(=O)/C(C#N)=C(/C)N)c2C)cc1 104415202 KUAGYHMWANGVCJ-PUKYQLJISA-N 418.453 2.878 50 40 HFGB CCCCCC(=O)Nc1nnc(CC(=O)N/N=C/c2ccc(N(C)C)cc2)s1 408732547 WQGIAHKMZLQWEF-DEDYPNTBSA-N 402.524 2.816 50 40 HFGB CCC(=O)NNC(=O)CN1C(=O)c2ccccc2[C@H]1c1c(C)n(C)c2ccccc12 4738939 DHOLYBJMXRXUAI-QFIPXVFZSA-N 404.470 2.589 50 40 HFGB CCOc1ccc(C(=O)NNC(=O)CSc2nc3ccccc3o2)cc1OC 6558045 JFVPRCSEMFWSAA-UHFFFAOYSA-N 401.444 2.788 50 40 HFGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccncc2)Cc2ccccc2)cc1 59443813 VUTQLEAYNHNFBG-BUVRLJJBSA-N 422.510 2.731 50 40 HFGB CCS(=O)(=O)N(CC(=O)N/N=C/c1ccc(Cl)cc1)c1ccc(OC)cc1 59490241 MXLDPPXXGKITFT-UDWIEESQSA-N 409.895 2.655 50 40 HFGB N#C/C(=C\c1ccccc1OCC(=O)O)C(=O)Nc1ccc(N2CCOCC2)cc1 7208579 POQOYZHLKZLOJE-GHRIWEEISA-N 407.426 2.532 50 40 HFGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(C)c(C)c2)c1 409269502 JWTQHBGMJRBXEN-PDERCVKFSA-N 424.501 2.686 50 40 HFGB COc1cc(N2CCCC2)c(OC)cc1/C=N\NC(=O)Cc1ccccc1[N+](=O)[O-] 33404842 LWXPPTVJJVSNMB-HMAPJEAMSA-N 412.446 2.905 50 40 HFGB O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)N/N=C/c1ccccc1O 1784221 VSTVKZRQKIHEJF-FOKLQQMPSA-N 404.451 2.981 50 40 HFGB N#C/C(=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1)C(=O)NCc1ccccc1 8685749 AAUDTZMUOWGXKD-AQTBWJFISA-N 421.478 2.981 50 40 HFGB CCOc1ccc(C(=O)NNC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1OC 12693986 QTMRNCHKZGVDKQ-OAHLLOKOSA-N 421.494 2.502 50 40 HFGB C/C(=N\NC(=O)CNC(=O)C(c1ccccc1)c1ccccc1)c1cc(O)ccc1O 15133323 AANQWZJBIJGCIP-WGOQTCKBSA-N 417.465 2.886 50 40 HFGB Cc1ccsc1/C=N/NC(=O)CN(Cc1ccco1)S(=O)(=O)c1ccccc1 408977781 FONSFBFTPFKAFW-UDWIEESQSA-N 417.512 2.991 50 40 HFGB COc1cc(N2CCOCC2)ccc1/C=N\NC(=O)COc1ccccc1Cl 409221136 LJTPUODBPZSMQH-XKZIYDEJSA-N 403.866 2.714 50 40 HFGB CCOc1ccccc1OCC(=O)N/N=C/c1cc(OCC)c(O)c([N+](=O)[O-])c1 20100847 XLEADWOMRFBEAB-RGVLZGJSSA-N 403.391 2.627 50 40 HFGB COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccc(SC)cc1)S(C)(=O)=O 20212335 GWNUFMVFPHIPKX-UDWIEESQSA-N 421.544 2.642 50 40 HFGB COC(=O)c1ccccc1C1=C([N+](=O)[O-])[C@H](c2cccc([N+](=O)[O-])c2)C(C#N)=C(N)O1 22001069 FYFQXYXRXXBLTL-MRXNPFEDSA-N 422.353 2.835 50 40 HFGB CCOC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1cc(OC)ccc1OC 408603843 HKHFWNXOWZMMCA-MRXNPFEDSA-N 400.460 2.652 50 40 HFGB COc1cc2c(cc1OC)C1=C[C@@]3(C(=O)Nc4c(C)cccc43)C(C#N)=C(N)N1CC2 5485735 QGHQUILKXUGBDV-DEOSSOPVSA-N 414.465 2.809 50 40 HFGB CN(CC(=O)N/N=C/c1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 8042711 XEXQZIDLNICZBE-VXLYETTFSA-N 400.287 2.764 50 40 HFGB CCc1ccccc1N(CC(=O)N/N=C/c1ccc(OC(C)C)cc1)S(C)(=O)=O 20208903 AONURLYVHFTQAW-HYARGMPZSA-N 417.531 2.953 50 40 HFGB CCCCCCC(=O)Nc1nnc(CC(=O)N/N=C/c2ccc(O)cc2O)s1 408731092 KLQJTWVACGUUBE-YBFXNURJSA-N 405.480 2.551 50 40 HFGB CCOc1cc(/C=N/NC(=O)COc2ccccc2Cl)ccc1OCC(=O)O 408907241 AFYWSSUHHPALPA-UFFVCSGVSA-N 406.822 2.731 50 40 HFGB CCOc1ccc([C@H]2[C@@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OCC 20026660 KFWYOMRYYBKSQR-NQIIRXRSSA-N 403.486 2.839 50 40 HFGB COc1ccc(NCC(=O)NNC(=O)CSc2ccc(Br)cc2)cc1 71800156 STRYLTMKPMIKFO-UHFFFAOYSA-N 424.320 2.809 50 40 HFGB COc1ccccc1OCC(=O)N/N=C/c1ccc(OCC(=O)OC(C)(C)C)cc1 408845651 YQCPDXREBRDXMH-YDZHTSKRSA-N 414.458 2.945 50 40 HFGB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1cccnc1 408860086 RSUOETUONULRLQ-OEAKJJBVSA-N 412.446 2.566 50 40 HFGB CC1=C(C(=O)Nc2ccccc2F)[C@H](c2ccco2)C(C#N)=C(SCC(N)=O)N1 4137040 GZKZRLLOYRZABT-SFHVURJKSA-N 412.446 2.972 50 40 HFGB Cc1cc2c(c(=O)n1Cc1cccnc1)[C@@H](c1cccc([N+](=O)[O-])c1)C(C#N)=C(N)O2 2240701 VUXQMGTXYXGBFM-IBGZPJMESA-N 415.409 2.726 50 40 HFGB O=C(CCCN1C(=O)c2cccc3cccc(c23)C1=O)NNC(=O)c1ccc(F)cc1 9986764 PDJHLDINJZQPLZ-UHFFFAOYSA-N 419.412 2.816 50 40 HFGB O=C(N/N=C/c1cc2c(cc1Br)OCO2)C(=O)Nc1ccccc1Cl 59434375 ABAPFWKPNMVRKQ-FBCYGCLPSA-N 424.638 2.920 50 40 HFGB CC(=O)[C@H]1CC[C@@H]2[C@]1(C)C[C@H]1O[C@@]13[C@@]21C=C[C@]2(CC(=O)CC[C@@]23C)[C@H]2C(=O)OC(=O)[C@@H]21 118936378 WNFIGTUQYIFFFM-LVIFCBTNSA-N 424.493 2.781 50 40 HFGB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])NN=C1CCCC1 706041 PVMIKVUCYCHKJF-UHFFFAOYSA-N 416.459 2.836 50 40 HFGB CO[C@@H]1[C@H](OC(=O)NC(=O)CCl)CC[C@]2(CO2)[C@@H]1[C@@]1(C)O[C@@H]1CC=C(C)C 34105702 MSHZHSPISPJWHW-FRDQJGBZSA-N 401.887 2.554 50 40 HFGB biogenic O=C(CCl)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(C(F)(F)F)c1 101311522 DZYHZFOADADYHW-NCVPNVLXSA-N 412.842 2.546 50 40 HFGB COc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)NC(C)(C)C)cc2)cc1OC 409002684 WDVVRQMUXIHZFA-YDZHTSKRSA-N 413.474 2.761 50 40 HFGB COC(=O)COc1c(Cl)cc(/C=N\NC(=O)Cc2ccc(C)cc2)cc1OC 409358893 HRBFOIVDPGABMS-JJFYIABZSA-N 404.850 2.902 50 40 HFGB CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)c2nn(C)cc2Br)cc1 1060639 UARODMAYOBHXKW-XYOKQWHBSA-N 404.220 2.872 50 40 HFGB CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccccc2)cc1 2619800 QAGAHRRNDUJSJR-UHFFFAOYSA-N 409.467 2.587 50 40 HFGB Cc1cc(/C=N/NC(=O)c2cccnc2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 4739146 XDQKCAWQHDLFBJ-FOKLQQMPSA-N 406.398 2.649 50 40 HFGB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H](C)S/C1=N\NC(=O)c1ccc(O)cc1 5027122 LQNZRNCZIGKNMF-IJAWOMRFSA-N 400.416 2.778 50 40 HFGB N#Cc1ccccc1Sc1ccccc1C(=O)N[C@H]1CS(=O)(=O)C[C@H]1Cl 6863690 MQPVWVQAQHPUBN-CABCVRRESA-N 406.916 2.844 50 40 HFGB O=C(CC1CCCC1)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 8345438 IOUKJVJKPCJROG-UHFFFAOYSA-N 404.470 2.786 50 40 HFGB O=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)N/N=C\c1ccc(O)cc1 39986447 LIJYMIZCMWPRQO-JCMHNJIXSA-N 415.515 2.866 50 40 HFGB CCc1ccc(N(CC(=O)N/N=C/c2ccncc2)S(=O)(=O)c2ccccc2)cc1 409024604 GDIUMEQJYJQUNV-LFVJCYFKSA-N 422.510 2.990 50 40 HFGB Cc1cc(C)n2nc(C(=O)N/N=C/c3c(C)nn(-c4ccccc4)c3Cl)nc2n1 1297411 CSZARCBAOWXSOB-UFFVCSGVSA-N 408.853 2.653 50 40 HFGB COC(=O)CN1C(=O)/C(=N\NC(=O)COc2cc(C)ccc2C(C)C)c2ccccc21 6167726 VNNXFLDRMLTWFL-LVWGJNHUSA-N 423.469 2.537 50 40 HFGB Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NCC(C)C)c2)cc1C 6865829 PGWJATXPWZOKTD-DHRITJCHSA-N 424.501 2.543 50 40 HFGB Cn1c(=O)n(C)c2cc(/C=C(\C#N)c3nc4ncc(Br)cc4[nH]3)ccc21 16363861 BRXZTSUTGMADLT-VZUCSPMQSA-N 409.247 2.975 50 40 HFGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccs1)c1cccc(C(F)(F)F)c1 20210953 DDHWAUAXRZQXAW-DJKKODMXSA-N 405.423 2.683 50 40 HFGB CN(c1ccc(C(=O)N/N=C/c2cccc(Br)c2)cc1)S(C)(=O)=O 409124012 IPSLUFUXVLLKRI-WOJGMQOQSA-N 410.293 2.609 50 40 HFGB N#Cc1ccnc(Nc2nc([C@@H]3CCCCN3Cc3ccc(B(O)O)cc3)cs2)c1 585294780 KFJCOGVZUWTZHT-IBGZPJMESA-N 419.319 2.560 50 40 HFGB CCOc1ccc(/C=N/NC(=O)c2ccn(Cc3ccc([N+](=O)[O-])cc3)n2)cc1O 1087055 ZZDUFTBQLBPKLJ-CIAFOILYSA-N 409.402 2.708 50 40 HFGB Nc1nnc(CC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)s1 1845081 BYDQDQRUZNWMJW-CNHKJKLMSA-N 406.811 2.635 50 40 HFGB COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(C)n(C)c(=O)c21 2342376 RDYPMTRCBVPSBA-OAHLLOKOSA-N 402.248 2.683 50 40 HFGB CCOc1cc(/C=N/NC(=O)CN2CCOCC2)ccc1OCc1ccc(F)cc1 19798692 YWDJUHZUNVEBOF-ZVHZXABRSA-N 415.465 2.586 50 40 HFGB N#CC1=C[C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3[C@@H](C(=O)c3ccccc3)N2C=C1 20131305 HOKCAQFOVBFWAX-NCYKPQTJSA-N 413.408 2.844 50 40 HFGB O=C(NC[C@@H]1CCCO1)C(=O)N/N=C/c1ccccc1OCc1ccccc1Cl 59386627 FPQLCNOGPSVIDR-KZKMUKRCSA-N 415.877 2.664 50 40 HFGB COCc1cc(C)n(CC(=O)N/N=C/c2ccc(-c3ccccc3)o2)c(=O)c1C#N 1093085 GJJJEYLEPACVMK-WYMPLXKRSA-N 404.426 2.585 50 40 HFGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4cccnc4)c(=O)c32)cc1 1472130 YETPMRLVMAFIEO-HXUWFJFHSA-N 400.438 2.827 50 40 HFGB O=C(COc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)c1cccs1 2378044 OXPLUGQLGOKPKM-UHFFFAOYSA-N 404.300 2.769 50 40 HFGB O=C(COc1ccc(Cl)cc1Br)N/N=C1/C(=O)Nc2ccccc21 5528386 KAMPEHWHPFLNPI-UHFFFAOYSA-N 408.639 2.954 50 40 HFGB O=C(NNC(=O)C(O)(c1ccccc1)c1ccccc1)c1cc(-c2ccccc2)n[nH]1 5888867 MBWMUOKUOBJQCV-UHFFFAOYSA-N 412.449 2.774 50 40 HFGB Cn1c(CC(=O)NNC(=O)CSc2nc3ccccc3s2)nc2ccccc21 6510050 WXXNVXWNTIECJL-UHFFFAOYSA-N 411.512 2.665 50 40 HFGB COc1cc(/C=N\NC(=O)[C@@H]2COc3ccc(C(C)(C)C)cc3O2)cc(OC)c1O 31853550 NVWZZUAUIQYBEO-BPNSQTJDSA-N 414.458 2.997 50 40 HFGB O=C(N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O)c1cccc([N+](=O)[O-])c1 40852974 CEGYGRYCRSCYBJ-FRKPEAEDSA-N 409.152 2.735 50 40 HFGB O=C(O)COc1cccc(/C=N/NC(=O)c2cccc(I)c2)c1 408748892 ITTMZXMEDZFLCB-GIJQJNRQSA-N 424.194 2.519 50 40 HFGB O=C(CN(Cc1ccco1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1F 408982438 XXCONXXKUZIOQD-LPYMAVHISA-N 415.446 2.760 50 40 HFGB CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)O)cc1OC 409309451 HLRQHJJVGMXXHP-FBHDLOMBSA-N 406.822 2.975 50 40 HFGB COCCCNC(=O)CSC1=C(C#N)[C@@H](c2ccc(OC)c(Cl)c2)CC(=O)N1 409322350 JHOXDKGDCYIYJN-CYBMUJFWSA-N 423.922 2.573 50 40 HFGB CCc1ccc(OCC(=O)NNC(=O)COc2ccc(Br)cc2)cc1 5877798 GKAZAMHLRNQPNU-UHFFFAOYSA-N 407.264 2.617 50 40 HFGB Cc1ccc(C)c(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NCC(C)C)c1 8369990 SZCPDHWDGFJMPE-DHRITJCHSA-N 424.501 2.543 50 40 HFGB Cc1ccc(S(=O)(=O)NC(=O)NN/C(=N/c2ccc(F)cc2)C(F)(F)F)cc1 12461839 MAJYZCYXRZNMLN-UHFFFAOYSA-N 418.372 2.919 50 40 HFGB COC(=O)c1ccc(/C=N/NC(=O)CC(=O)Nc2cccc(C(F)(F)F)c2)cc1 826164 VNNDLNASVYEODJ-FOKLQQMPSA-N 407.348 2.971 50 40 HFGB COc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C/c3cccnc3)c2)cc1 6292372 FFXUFVCRRNZBQF-HYARGMPZSA-N 410.455 2.655 50 40 HFGB O=C(NNS(=O)(=O)c1ccc2c(c1)OCCO2)c1cc2c(s1)CCCCCC2 16100718 NFAXECAWXQQDFA-UHFFFAOYSA-N 422.528 2.802 50 40 HFGB C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)Cc1csc(-c2ccccn2)n1 26532733 SCPZZZRFENISPL-GFCCVEGCSA-N 400.435 2.502 50 40 HFGB COc1cccc([C@H]2[C@@H]3CN(C(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)c1OC 27271203 SGWVXSCLSOPNQM-QUCCMNQESA-N 403.486 2.838 50 40 HFGB Cn1c(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc(=O)n(C)c1=O 95670664 VJPMTEATFWLSPM-UHFFFAOYSA-N 415.433 2.893 50 40 HFGB COc1cc([N+](=O)[O-])cc2cc(C(=O)N/N=C/c3ccc(N4CCOCC4)cc3)oc12 409088250 KONIAWXBPWVREZ-LPYMAVHISA-N 424.413 2.950 50 40 HFGB O=C(N/N=C/c1ccco1)c1nn(Cc2ccc([N+](=O)[O-])cc2)cc1Br 1091823 KQWJAZLIYMQSIJ-QGMBQPNBSA-N 418.207 2.959 50 40 HFGB C[C@H](Oc1ccc(/C=N/NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1)C(=O)O 2777058 BZOVBMYBGDASRR-NJDFMEINSA-N 403.416 2.689 50 40 HFGB CCCCOc1cccc(N2/C(=N\C(=O)CCl)S[C@H]3CS(=O)(=O)C[C@H]32)c1 101310573 ISOSEWUIBMDVLQ-SYWZAZHRSA-N 416.952 2.706 50 40 HFGB C=CCOC(=O)C1=C(C)NC(SCC(N)=O)=C(C#N)[C@@H]1c1ccccc1Cl 20029540 GRLGUCZYCGFLCI-KRWDZBQOSA-N 403.891 2.984 50 40 HFGB CC(=O)Nc1cccc(C(=O)N/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)c1 97729855 BAKRBXJSOIDXER-QGMBQPNBSA-N 421.207 2.785 50 40 HFGB C/C(CC(=O)Nc1ccc2c(c1)OCCO2)=N\NC(=O)c1cc(Cl)ccc1O 100522757 CWFCZSHUBGBBDR-SSDVNMTOSA-N 403.822 2.951 50 40 HFGB CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1ccc2ccccc2c1 9422896 ITVGMRSDLPXWDY-HRVJUDJTSA-N 421.478 2.532 50 40 HFGB C=CCOc1ccc([C@H]2[C@@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC 20219031 LGBWCQFWJNDJQO-NQIIRXRSSA-N 401.470 2.615 50 40 HFGB COc1ccc(S(=O)(=O)N(CC(=O)NN=C(C)C)c2ccc(F)cc2)cc1OC 409116329 ITUZHTAQMRGPBE-UHFFFAOYSA-N 423.466 2.550 50 40 HFGB COc1cccc(/C=N/NC(=O)CNc2ccc(I)cc2)c1 1444199 RUTCKNVWPCYTFH-VXLYETTFSA-N 409.227 2.862 50 40 HFGB C=CCOc1ccc(/C=N/NC(=O)C(=O)NCc2ccc(Cl)cc2)cc1OC 3083948 PCBLMIIUQKGVMI-YDZHTSKRSA-N 401.850 2.680 50 40 HFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(Cl)c(Cl)c1)Cc1ccccc1 6584652 GDALLFIEFYGULX-KEBDBYFISA-N 414.314 2.905 50 40 HFGB Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NNC(=O)c3ccccc3)c2)cc1 9715955 USBUCLHZFZGHMN-UHFFFAOYSA-N 423.494 2.895 50 40 HFGB CC(C)=NNC(=O)[C@@H](C)Sc1nnc(S[C@H](C)C(=O)NN=C(C)C)s1 16322358 QLYYYOGOIJXCNH-NXEZZACHSA-N 402.571 2.523 50 40 HFGB O[C@]12[C@H](Br)[C@H]3[C@H]4C[C@@H]5[C@@H]3[C@@H]1[C@@](O)(c1c(F)c(F)c(F)c(F)c1F)[C@H]5[C@@H]42 103914566 IODPQNWDBGXUDE-GBNDYVRSSA-N 423.175 2.836 50 40 HFGB COc1cc(Br)cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c1O 109393636 MWXZQEVBNSBCAJ-NVMNQCDNSA-N 408.208 2.764 50 40 HFGB CC(C)NC(=O)/C(C#N)=C\c1cc(Cl)c(OCC(=O)O)c(Br)c1 408775599 QMEAQGNBVRYFIH-KMKOMSMNSA-N 401.644 2.997 50 40 HFGB COc1c(I)cc(/C=C(/C#N)C(=O)NC(C)C)cc1[N+](=O)[O-] 408784805 XOHXLHNBOVOILM-WMZJFQQLSA-N 415.187 2.640 50 40 HFGB Cc1cccc(C)c1OCC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1 408915975 SPHWERBZEQOJPP-LPYMAVHISA-N 412.446 2.577 50 40 HFGB CCOc1ccccc1OCCC(=O)NNC(=O)c1ccc2c(c1)nc(C)n2CC 2616636 RWFJGKNGNHMZOP-UHFFFAOYSA-N 410.474 2.993 50 40 HFGB Cc1cc(C)cc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NCC(C)C)c1 6456589 XDXDWWYVMDWGOB-DHRITJCHSA-N 424.501 2.543 50 40 HFGB COc1ccc(C(=O)NNC(=O)CSc2nc(Cc3ccccc3)c(C)[nH]2)cc1 9946629 NIBNXDHDYGZZGE-UHFFFAOYSA-N 410.499 2.871 50 40 HFGB O=NN(CC(=O)N/N=C\C=C/c1ccccc1)CC(=O)N/N=C\C=C/c1ccccc1 17148395 NGGQPFWHNIOSMU-XFCGXQGLSA-N 418.457 2.601 50 40 HFGB C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCCCNS(=O)(=O)CCl 72311702 VDXKNZSXNFZVFO-UHFFFAOYSA-N 414.833 2.506 50 40 HFGB O=C(COc1ccccc1Cl)N/N=C\c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 409018484 HNCOQTRAVYUODW-MTJSOVHGSA-N 418.837 2.614 50 40 HFGB CCOC(=O)N1CC=C2[C@H](C1)[C@@H](c1ccc(OC)cc1)C(C#N)=C(N)C2(C#N)C#N 664253 CHZKRPLYBPFOJZ-HKUYNNGSSA-N 403.442 2.577 50 40 HFGB Cc1cccc(/C=N/NC(=O)CNc2ccc(I)cc2C)n1 695791 PXUASBWVWPBVJE-DJKKODMXSA-N 408.243 2.865 50 40 HFGB CN1C(=O)[C@]2(C(C#N)=C(N)N(c3ccc(Cl)cc3)C3=C2C(=O)OC3)c2ccccc21 20718400 HTTQOSAAABXWPD-QFIPXVFZSA-N 418.840 2.579 50 40 HFGB COc1ccc(-n2c(C)cc(/C=N/NC(=O)CN3CCOCC3)c2C)cc1Cl 409064912 QVNQAPKNGCEMSP-WSDLNYQXSA-N 404.898 2.538 50 40 HFGB CCCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cccc(C)c2C)c1 6647910 BHDOUMHJGDZKFT-AFUMVMLFSA-N 424.501 2.687 50 40 HFGB Cc1cc(OCc2ccc(C(=O)NNC(=O)c3ccc(=O)[nH]c3)cc2)ccc1Cl 7137884 XYWCHWXIPYLTFS-UHFFFAOYSA-N 411.845 2.991 50 40 HFGB CCOc1cc(C(=O)NNC(=O)c2ccc3c(c2)OCO3)cc(OCC)c1OCC 8271463 QPLMOLNUJSCMSJ-UHFFFAOYSA-N 416.430 2.686 50 40 HFGB CS(=O)(=O)c1ccc2nc(NC(=O)/C(C#N)=C/c3ccc(O)c(O)c3)sc2c1 41078074 IZEGIXKWJPYDIC-IZZDOVSWSA-N 415.452 2.657 50 40 HFGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(C[C@H]4CCCO4)c(=O)c32)cc1OC 1476106 NXWOKGMJJYVALM-FOIQADDNSA-N 423.469 2.571 50 40 HFGB COc1cccc(OCc2cc(/C=N/NC(=O)c3ccc(O)nn3)ccc2OC)c1 2316328 SXEOZRCVPSZCRY-WSDLNYQXSA-N 408.414 2.542 50 40 HFGB Cn1c(=O)n(C)c2cc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)ccc21 33794615 HAHUUHSUTBHDOC-KEBDBYFISA-N 409.427 2.764 50 40 HFGB Cn1ccnc1Sc1ccc(/C=C(/C#N)C(=O)NC[C@@H]2CCCO2)cc1[N+](=O)[O-] 35681672 FTIDDLCYQXHNET-MZLJFPOFSA-N 413.459 2.682 50 40 HFGB CCN(CC)C(=O)Cn1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)c2ccccc21 96234498 ZCWKLGCUVQDSBH-HXUWFJFHSA-N 404.474 2.759 50 40 HFGB CC1=NN(c2ccc(Br)c(C)c2)C(=O)/C1=C\NNC(=O)c1cccnc1 109138443 FAHDCOXMWOIROC-GDNBJRDFSA-N 414.263 2.694 50 40 HFGB CC[C@@H](C)NC(=O)/C(C#N)=C/c1cc(I)c(O)c(OC)c1 408808852 GONCYWARNPSIHC-JTTRITNRSA-N 400.216 2.827 50 40 HFGB CC[C@@H](C)NC(=O)/C(C#N)=C/c1cc(Br)c(OCC(=O)O)c(OC)c1 408811752 WGSMLVUBQACGMD-STCRIKGOSA-N 411.252 2.743 50 40 HFGB O=C(N[C@H](Cc1cnc[nH]1)C(=O)N/N=C/c1ccc(F)cc1)OCc1ccccc1 408992662 UOZQZRLRYJXZEO-SXPOYZCRSA-N 409.421 2.537 50 40 HFGB Cc1c(C(=O)N/N=C\c2ccco2)nn(-c2cccc(C(F)(F)F)c2)c(=O)c1C#N 409056528 GYLDBMVDDUWMBU-VROXFSQNSA-N 415.331 2.788 50 40 HFGB COc1ccc(OC)c(/C=N/NC(=O)C(=O)Nc2ccccc2Br)c1 4499522 IWSGLJFMGZNVIA-VXLYETTFSA-N 406.236 2.555 50 40 HFGB O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)CC12CC3CC(CC(C3)C1)C2 4895504 JMNIJIHUGRLTJZ-UHFFFAOYSA-N 424.589 2.953 50 40 HFGB Cc1cc(C)c(OCC(=O)N/N=C2/C(=O)N(C)c3ccccc32)c(Br)c1 5441968 SSMNOTKIMWOIGQ-OQKWZONESA-N 416.275 2.942 50 40 HFGB CC(C)(C)c1ccc(C(=O)NN(CCC#N)C2=NS(=O)(=O)c3ccccc32)cc1 6262683 RWVKKRFFPKHTGS-UHFFFAOYSA-N 410.499 2.994 50 40 HFGB C/C(=N\NC(=O)COc1ccc(Cl)cc1)c1ccc(OCC(=O)N(C)C)cc1 8227268 JZBFXKNCSYSDDZ-HYARGMPZSA-N 403.866 2.726 50 40 HFGB O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)NNC(=O)c1ccc(F)cc1 8820240 KXNRBDNCZLMTGK-MDWZMJQESA-N 421.500 2.550 50 40 HFGB CC[C@H]1CCc2sc(C(=O)NNS(=O)(=O)c3ccc4c(c3)OCCO4)cc2C1 12752984 AOMWTMOQKOFQST-LBPRGKRZSA-N 422.528 2.658 50 40 HFGB CC(C)Oc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)cc1 20211862 IFKYMLRZOQHKLY-CIAFOILYSA-N 407.467 2.529 50 40 HFGB CS(=O)(=O)N(Cc1ccc(C(=O)N/N=C/c2cccnc2)cc1)c1ccccc1 20232389 LYBYEFHXRVCWCW-HZHRSRAPSA-N 408.483 2.812 50 40 HFGB C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)N/N=C\c4ccc(O)cc4)c(=O)c23)C1 31783272 AXIYLHMYFFHFAI-ZBISOPFBSA-N 410.499 3.000 50 40 HFGB C=C1C(=O)O[C@@H]2C=C(COC(C)=O)CCC=C(C=O)C[C@H](OC(=O)[C@H](C)CC)[C@@H]12 958318575 ALJXWCROGAMOBL-ZNYHDOEXSA-N 404.459 2.841 50 40 HFGB biogenic,in-vitro CCCCC(=O)NN/C=C1/C(=O)N(c2ccc(Br)cc2)C(=O)N=C1O 9012913 PUIBXURNAUSVOJ-FMIVXFBMSA-N 409.240 2.567 50 40 HFGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc(Cl)c1OC 13097336 POINDGDFCTXSJD-KPKJPENVSA-N 421.862 2.550 50 40 HFGB Cc1cccnc1N1C(=O)[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O 100567694 ZKYAEZPVIQTARD-SDONNHMOSA-N 414.097 2.672 50 40 HFGB CCCC[C@H](CC)CNC(=O)CCC(=O)NNC(=O)Cn1ccc2ccccc21 4676505 PFWDOPMYSOOPFQ-KRWDZBQOSA-N 400.523 2.902 50 40 HFGB Cc1cc(Cl)ccc1OCC(=O)NNC(=O)CCNC(=O)c1ccccc1Cl 10087873 SPCRJKRQHLKURI-UHFFFAOYSA-N 424.284 2.648 50 40 HFGB Cc1ccc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)cc1 20060464 ZTXAWSKZFKAMFW-YBFXNURJSA-N 424.320 2.674 50 40 HFGB CCCCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)c(OC)c1 408609757 LHOIXYQEJUXYSI-ZMOGYAJESA-N 401.438 2.780 50 40 HFGB COc1cccc(N2C(=O)[C@@H](Cc3cccc([N+](=O)[O-])c3)S/C2=C(/C#N)C(N)=O)c1 1859023 SXDWRIXLBRUPNV-XUMLYMLNSA-N 424.438 2.515 50 40 HFGB COc1cc(/C=C(\C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)ccc1O 1446784 MHZMSFKIJKDZIX-LFIBNONCSA-N 404.426 2.744 50 40 HFGB Cc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C(\C#N)C(=O)N1CCOCC1 3644089 YERLRVJTPLOVCJ-SAPNQHFASA-N 416.437 2.561 50 40 HFGB CN(CC(=O)N/N=C/c1ccccc1C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 16187163 UDDUZDWFXYZXGD-LSHDLFTRSA-N 417.384 2.615 50 40 HFGB O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1ccc(-c2cccc(C(=O)O)c2)o1 38534818 KQJFWZOEYKDQDP-AUEPDCJTSA-N 407.382 2.936 50 40 HFGB Cc1nn(-c2ccccc2F)c(C)c1CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 40128087 UKXWOQGAYUJGTM-UHFFFAOYSA-N 411.393 2.540 50 40 HFGB C/C(=N/NC(=O)[C@H]1C(=O)NC[C@H]1c1ccccc1)c1cccc(Br)c1 136219533 RQKXQCSEZPQBNZ-KEFQVJQSSA-N 400.276 2.819 50 40 HFGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2OC)ccc1OCC(N)=O 408810823 UWUAYRGBSZPMJE-MHWRWJLKSA-N 409.442 2.812 50 40 HFGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=C(/C#N)C(=O)NCC(C)C)o2)cc1 408835043 XUKUXEJVDCZVRD-YBEGLDIGSA-N 408.458 2.522 50 40 HFGB CCOC(=O)[C@@H]1CC[C@H](CCBr)N1S(=O)(=O)c1ccc(C)cc1 4473358 FAYULWLMCUHXBM-HIFRSBDPSA-N 404.326 2.865 50 40 HFGB O=C(COc1cccc(Cl)c1)N/N=C1\C(=O)Nc2ccc(Br)cc21 5521871 SDAQVARHIGKESA-UHFFFAOYSA-N 408.639 2.954 50 40 HFGB CCOC(=O)c1c(NC(=O)NNC(=O)c2ccco2)sc2c1CC(C)(C)OC2 6760418 AHVATAHBVVYIRR-UHFFFAOYSA-N 407.448 2.836 50 40 HFGB N#C/C(C(=O)N1CCOCC1)=C1/N=C(NC(=O)c2ccc(Cl)cc2)c2ccccc21 9187334 ACIVBMUYOSRQMU-HNENSFHCSA-N 420.856 2.624 50 40 HFGB COc1cc(/C=C(\C#N)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCO3)cc(OC)c1 13140902 XJDSCJDDLDLJGL-WLRTZDKTSA-N 411.370 2.929 50 40 HFGB O=C(CCl)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cc(Cl)ccc1Cl 101315960 UUBADZBZTOKRTR-SJZWRUIUSA-N 413.735 2.834 50 40 HFGB CS(=O)(=O)N(CC(=O)N/N=C/c1c(F)cccc1Cl)c1ccc(F)cc1 408868423 OHUVJOHTVYNPTF-AWQFTUOYSA-N 401.822 2.535 50 40 HFGB COc1cc2c(cc1/C=N/NC(=O)COc1cccc(Br)c1)OCO2 409100645 RFJDUMIRKFAGFU-UFWORHAWSA-N 407.220 2.716 50 40 HFGB Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)[C@H]2CCCC[C@H]2C(=O)O)cc1 675141 ZJJZSSVGJHMAPT-RBUKOAKNSA-N 423.469 2.899 50 40 HFGB O=C(NN[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O)c1cccc(Cl)c1 971717 XIRDVHHAIJYDCN-CQSZACIVSA-N 422.666 2.669 50 40 HFGB O=C(COc1ccc([N+](=O)[O-])cc1)NNC(=O)COc1ccccc1-c1ccccc1 2546324 GRWRDQUJFQKLGI-UHFFFAOYSA-N 421.409 2.867 50 40 HFGB Cc1cc(C)c(S(=O)(=O)NNC(=O)C2CCN(Cc3ccccc3)CC2)c(C)c1 5697545 SUOMPPQLAHWIBL-UHFFFAOYSA-N 415.559 2.834 50 40 HFGB COc1ccc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccc3c(c2)OCCCO3)cc1 6552962 XRYJBEWBCCNBOR-LFIBNONCSA-N 408.410 2.945 50 40 HFGB O=C(NNS(=O)(=O)c1cccc(Br)c1)c1ccc2ccccc2n1 12753547 TXSCRDLUTYFOJB-UHFFFAOYSA-N 406.261 2.621 50 40 HFGB Cc1ccc(OCc2ccc(C(=O)NNC(=O)[C@@H]3COc4ccccc4O3)o2)cc1 13021458 ZJRCBRRREADEGM-FQEVSTJZSA-N 408.410 2.768 50 40 HFGB CCOc1ccccc1OCC(=O)NNC(=O)c1cc(Cl)c(OCC)c(OC)c1 32976225 WKGAHRXTGQWIHV-UHFFFAOYSA-N 422.865 2.986 50 40 HFGB C[C@@H](NC(=O)C(=O)N/N=C/c1cc2c(cc1Br)OCO2)c1ccccc1 59515600 HXESQYWYANLHSX-GXBAXFRPSA-N 418.247 2.505 50 40 HFGB Cc1cc(/C=N\NC(=O)COc2ccccc2I)c(C)n1C 408772825 RRCIHRVPJMXXEY-NVMNQCDNSA-N 411.243 2.776 50 40 HFGB COc1ccccc1N(CC(=O)N/N=C(\C)c1ccc(Cl)cc1)S(C)(=O)=O 408908662 XODDABXUNLPCBG-DEDYPNTBSA-N 409.895 2.655 50 40 HFGB Cc1[nH]c2ccccc2c1/C=N/NC(=O)Cn1c(-c2nonc2N)nc2ccccc21 870173 YEQIHIKXBDLSCV-AUEPDCJTSA-N 414.429 2.609 50 40 HFGB N#CC1=C(N)N2CCc3cc4c(cc3C2=C[C@@]12C(=O)Nc1ccccc12)OCCCO4 5422302 FKBIXBWDASLRFS-DEOSSOPVSA-N 412.449 2.644 50 40 HFGB N#CCC(=O)N/N=C(/C[C@@]1(O)C(=O)Nc2c(Cl)cc(Cl)cc21)c1ccccc1 5808863 FFOJXVAMYQIIGB-OQLNFPPLSA-N 417.252 2.957 50 40 HFGB CCOC(=O)C1=C(C(=O)OCC)[C@@H](c2cccc(Br)c2)C(C#N)=C(N)O1 13739030 AMKQLJHGJOILIN-ZDUSSCGKSA-N 421.247 2.637 50 40 HFGB COc1ccc(CNC(=O)C(=O)N/N=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 58914389 NQPPBRARUCBISJ-QRVIBDJDSA-N 422.397 2.630 50 40 HFGB CCOc1cc(/C=N\NC(=O)c2ccncc2)cc(I)c1O 96515564 ILXOOVFWZYODCD-NVMNQCDNSA-N 411.199 2.554 50 40 HFGB C[C@H]1C[C@H]2C(=C3[C@@H]([C@@H]4C=C[C@@H]3[C@H]3C(=O)OC(=O)[C@H]43)[C@H]3C(=O)OC(=O)[C@H]23)c2ccccc21 104237373 ZLBYVLODINZAKY-KISPKNPOSA-N 416.429 2.641 50 40 HFGB O=C(Cc1cccs1)NNC(=O)c1ccc(=O)n(Cc2ccc(Cl)cc2)c1 16839314 PMRMUJLDOFUJEG-UHFFFAOYSA-N 401.875 2.615 50 40 HFGB COCCNC(=O)/C(C#N)=C/c1cc(Br)cc(Br)c1O 408819153 YJWAWDOIJXFZCG-RUDMXATFSA-N 404.058 2.587 50 40 HFGB Cc1cc(/C=N/NC(=O)c2ccc(F)cc2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 408965944 KJOVIMOUSPJELZ-FSJBWODESA-N 414.462 2.645 50 40 HFGB CCOC(=O)Cn1c(C)c(/C=N/NC(=O)c2ccc(OC)cc2O)c2ccccc21 409391695 KTIDXIXTACIEEC-FSJBWODESA-N 409.442 2.991 50 40 HFGB O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)N/N=C/c1ccc(O)cc1O 958390 GFUQYBFFQDRXCS-NUGSKGIGSA-N 420.450 2.687 50 40 HFGB COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(C)c(=O)c32)cc1Br 2436474 GGTWBJWQURESGC-HNNXBMFYSA-N 402.248 2.683 50 40 HFGB Cn1ncc(Br)c1C(=O)NN=C(c1ccc(O)cc1)c1ccc(O)cc1 17090199 ACTJGXYKLWGAHJ-UHFFFAOYSA-N 415.247 2.776 50 40 HFGB O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2)cc1)NC1CCCCC1 59959977 TVRWTWCQGHDJLH-BUVRLJJBSA-N 422.485 2.603 50 40 HFGB O=C(CCl)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1Cl 101311967 AZWIGSRBSFXKQS-CTDHJJECSA-N 413.735 2.834 50 40 HFGB CO[C@@H]1[C@@H](OC(=O)NC(=O)CCl)CC[C@]2(CO2)[C@H]1[C@@]1(C)O[C@@H]1CC=C(C)C 200580841 MSHZHSPISPJWHW-XRBTYMJJSA-N 401.887 2.554 50 40 HFGB Cc1ccc(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)cc1 408989748 LWXBERPOFCZWNO-GRMYTIJRSA-N 405.458 2.706 50 40 HFGB COc1cccc(/C=N/NC(=O)CSc2nnc(CNc3cccc(C)c3)n2C)c1 673453 NRFZEKOYGJCAPO-FSJBWODESA-N 424.530 2.987 50 40 HFGB Cc1ccccc1OCC(=O)N/N=C/c1ccc(OCC(=O)NCc2ccco2)cc1 16362994 SFULBNFMBXMNBJ-DHRITJCHSA-N 421.453 2.812 50 40 HFGB COc1ccc(/C=N\NC(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)cc1 33720953 HLQDSUDAYFGQOA-HMAPJEAMSA-N 411.483 2.619 50 40 HFGB COc1ccc([C@@H]2CC(c3cccc(NS(C)(=O)=O)c3)=NN2C(=O)CCl)cc1 36393667 DNMDQIDDWFELOC-SFHVURJKSA-N 421.906 2.983 50 40 HFGB Cc1ccc(-c2cc(C(=O)NNC(=O)c3ccn(C)c(=O)c3)c3ccccc3n2)cc1 44598357 OJBROIJMHCKUFC-UHFFFAOYSA-N 412.449 2.984 50 40 HFGB NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(OC(F)(F)C(F)F)cc2)cc1 662534 UAEMBJKPBZOMDN-PGGKNCGUSA-N 413.327 2.551 50 40 HFGB CCOC(=O)Cc1[nH]nc2c1[C@@H](c1ccc(OC(F)(F)F)cc1)C(C#N)=C(N)O2 663159 SZVXJZDQOGDPSP-AWEZNQCLSA-N 408.336 2.632 50 40 HFGB CN(CC(=O)N/N=C/c1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(F)cc1 16186742 UDRWLGMREKUFQK-AWQFTUOYSA-N 418.277 2.903 50 40 HFGB O=C(COc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1)NCc1ccco1 28215495 JHYBLNMTKDFHBB-FSJBWODESA-N 422.397 2.647 50 40 HFGB O=C(NNC(=S)NC(=O)c1ccc(OCc2ccccc2)cc1)c1ccncc1 32119212 HAQUQTLYQADDMS-UHFFFAOYSA-N 406.467 2.610 50 40 HFGB COc1ccc(/C=N/NC(=O)Cc2nnc(NC(=O)c3ccc(C)cc3)s2)cc1 726396 GUJNGPZYZNOKSE-CIAFOILYSA-N 409.471 2.800 50 40 HFGB Cc1ccc(S(=O)(=O)NCC(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1 3060591 JAHUPQUIAKKLSX-DJKKODMXSA-N 400.287 2.730 50 40 HFGB Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)CSc2nc(C)cc(C)n2)c1 3307432 YGTNXYXUFRUBPE-UHFFFAOYSA-N 402.520 2.844 50 40 HFGB Cc1cc(C)c2[nH]c(C)c(CC(=O)NNC(=O)CCC(=O)NCc3ccccc3)c2c1 4679876 GDKLVRZNKOQLRK-UHFFFAOYSA-N 420.513 2.880 50 40 HFGB O=C(N/N=C/c1ccc2c(c1)OCO2)C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 5634121 ONOJHYSAUZFZLU-WSDLNYQXSA-N 410.430 2.686 50 40 HFGB COc1ccc(C(=O)N/N=C\c2cc3c(cc2Br)OCO3)cc1OC 34781861 SJANHXKQLJEKBQ-UWVJOHFNSA-N 407.220 2.959 50 40 HFGB Cc1cc(C)n(CC(=O)NNC(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)n1 40086966 KEEUURPTAYUNMJ-UHFFFAOYSA-N 405.458 2.522 50 40 HFGB C=C1C(=O)O[C@@H]2/C=C(\COC(C)=O)CC/C=C(\C=O)C[C@@H](OC(=O)[C@@H](C)CC)[C@@H]12 100069857 ALJXWCROGAMOBL-VOCLDXQKSA-N 404.459 2.841 50 40 HFGB biogenic,in-vitro COc1ccc(/C=C(\C#N)C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)cc1 21487219 TWWHYCIROKGRAT-SLTDHEAWSA-N 409.461 2.931 50 40 HFGB CC(C)CNC(=O)C1CCN(C(=O)NNC(=O)c2cc3c(s2)CC[C@H](C)C3)CC1 24833337 ISMFVCLLLOYNAM-AWEZNQCLSA-N 420.579 2.712 50 40 HFGB COc1ccc(NC(=O)C(=O)N/N=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 58914661 CNNHZPJWMLQHGJ-MTJSOVHGSA-N 408.370 2.952 50 40 HFGB Cc1ccc(C(=O)[C@H](C)OC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)cc1 408685639 PPJCYNNADRKADN-LORDIVQWSA-N 407.260 2.680 50 40 HFGB COc1ccc(SCC(=O)N/N=C\c2cccc(OC)c2O[C@H](C)C(=O)O)cc1 409244967 LKKIRHDKBORRGM-PJICWNCHSA-N 418.471 2.798 50 40 HFGB Cc1cc2c(c(=O)o1)[C@@H](c1cccc(I)c1)C(C#N)=C(N)O2 915325 ZRMDWEVTUWCCLS-ZDUSSCGKSA-N 406.179 2.771 50 40 HFGB O=C(NCCBr)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1 2306282 QBXZSJQBTOYMQW-FOWTUZBSSA-N 418.247 2.877 50 40 HFGB Cc1ccc(OCC(=O)N/N=C\c2cc(Br)ccc2O)c([N+](=O)[O-])c1 30728482 FNRMNAWHMFHNQH-LSCVHKIXSA-N 408.208 2.900 50 40 HFGB CC(C)CCN1C(=O)/C(=N\NC(=O)Cn2ccc(C(F)(F)F)n2)c2ccccc21 102051419 LIWYAKQLMKKRAP-ULJHMMPZSA-N 407.396 2.815 50 40 HFGB Cc1ccccc1OCC(=O)N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1 408861188 PAIWZCLBYJNJFI-BUVRLJJBSA-N 409.486 2.915 50 40 HFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1C(F)(F)F)c1cccc(F)c1 409138494 CQECWRKJWYGAKV-LSHDLFTRSA-N 417.384 2.761 50 40 HFGB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)[C@H]1C(=O)NC[C@H]1c1ccccc1 9056979 JAEALZNPLGVIAH-XMEDJCRESA-N 421.888 2.814 50 40 HFGB Cc1nc2ccccn2c1C(=O)NNC(=O)NCCc1ccc(C(F)(F)F)cc1 9596536 UOTKETWMRDADMR-UHFFFAOYSA-N 405.380 2.848 50 40 HFGB Cc1ccc(OCC(=O)N/N=C\C=N\NC(=O)COc2ccc(C)c(C)c2)cc1C 13880642 HAWJHAKTMQWXEY-NFXRTZMGSA-N 410.474 2.582 50 40 HFGB CCOc1ccc(C(=O)NNC(=O)COc2ccc(C(F)(F)F)cc2)cc1OC 40144605 MJOXELNJJOPXBC-UHFFFAOYSA-N 412.364 2.953 50 40 HFGB CC(=O)Nc1ccc(C(=O)N/N=C(\C)CC(=O)Nc2ccc3c(c2)OCCO3)cc1 101158551 IJDNPILTSUDZBQ-ZMOGYAJESA-N 410.430 2.551 50 40 HFGB CCc1ccccc1N(CC(=O)N/N=C(\C)c1ccc(OC)cc1)S(C)(=O)=O 408778399 UAATUQPTIJDTEX-RCCKNPSSSA-N 403.504 2.564 50 40 HFGB COCCCNC(=O)/C(C#N)=C/c1c(Oc2cccc(C)c2)nc2ccccn2c1=O 4205406 KFLLWGLGFUUBOX-SAPNQHFASA-N 418.453 2.855 50 40 HFGB CC[C@H](C)NC(=O)C/C(C)=N/NC(=O)c1ccc(I)cc1 4411008 WQQPUYQBLQDJCQ-DWTJURIWSA-N 401.248 2.702 50 40 HFGB CCCn1nc(C(=O)NNC(=O)CCCOc2ccc(C)cc2)c2ccccc2c1=O 6929895 MBOYTCQXPFWQAY-UHFFFAOYSA-N 422.485 2.735 50 40 HFGB CCOc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)ccc1O[C@@H](C)C(=O)O 30753639 PUOZWBXXTUVIGY-OEKFUPINSA-N 401.375 2.609 50 40 HFGB C[C@@H](Oc1ccc(/C=N/NC(=O)COc2ccc(Br)cc2)cc1)C(=O)O 59249455 XAISHRJUEKUJBA-HMASQMOLSA-N 421.247 2.830 50 40 HFGB N#Cc1ccc(F)c(CNS(=O)(=O)c2ccc(OCCBr)cc2)c1 95993354 XJZUDQUNLMHFLS-UHFFFAOYSA-N 413.268 2.950 50 40 HFGB C=CC(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(F)cc2Br)cc1 1542129694 GGJIPWASSKGARE-UHFFFAOYSA-N 406.211 2.788 50 40 HFGB CCOC(=O)CC[C@@H](NC(=O)c1ccc(CBr)cc1)C(=O)OCC 2026177 TWPIQHUQGNKXGI-CQSZACIVSA-N 400.269 2.586 50 40 HFGB Cc1cc(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)c(C)n1-c1ccccc1F 25465170 ZHPJVAGQFGIWCC-HXUWFJFHSA-N 409.417 2.834 50 40 HFGB CCc1ccc(OCC(=O)NNC(=O)C[C@H](NC(C)=O)c2ccccc2Cl)cc1 32937506 GZPCDFFSGIJVMM-IBGZPJMESA-N 417.893 2.696 50 40 HFGB C=C1C(=O)O[C@@H]2/C=C(\COC(C)=O)CC/C=C(\C=O)C[C@H](OC(=O)[C@H](C)CC)[C@H]12 255897318 ALJXWCROGAMOBL-SBLQKWDASA-N 404.459 2.841 50 40 HFGB biogenic,in-vitro O=C(N/N=C/c1c(O)nc(O)nc1O)c1cc(-c2ccccc2)nc2ccccc12 409047468 MRKSWZJRAXKUGN-SSDVNMTOSA-N 401.382 2.573 50 40 HFGB Cn1cc(C(=O)N/N=C/C2=C(N3CCOCC3)/C(=C/c3ccccc3)CC2)ccc1=O 5712967 HAOMPYOKJXKMJN-VOHHWRIISA-N 418.497 2.565 50 40 HFGB CCOC(=O)c1c(NC(=O)NNC(=O)c2ccncc2)sc2c1CC(C)(C)OC2 6760765 MGGZETFUHKBDSW-UHFFFAOYSA-N 418.475 2.638 50 40 HFGB COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4cccnc4)c(=O)c32)c1 13207050 BFNFZXRMBHZHEX-HXUWFJFHSA-N 400.438 2.827 50 40 HFGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O 59433287 GHZGCAMYOHTERB-CAOOACKPSA-N 423.179 2.664 50 40 HFGB CN1C(=O)/C(=N\NC(=O)COc2ccc3ccccc3c2)c2cc([N+](=O)[O-])ccc21 101018507 ZIWBTWMAABOWCN-ATJXCDBQSA-N 404.382 2.624 50 40 HFGB O=C(CCl)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(C(F)(F)F)c1 101311526 DZYHZFOADADYHW-AOMAHKHESA-N 412.842 2.546 50 40 HFGB COc1cc(/C=N/NC(=O)COc2c(C)cc([N+](=O)[O-])cc2C)ccc1OC(C)=O 881011 WGDFRUZXJPVKIZ-UFFVCSGVSA-N 415.402 2.675 50 40 HFGB O=C(NNC(=O)c1cccs1)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 9911057 YVDPSLJQEPCECT-UHFFFAOYSA-N 419.459 2.763 50 40 HFGB COc1ccc(/C=N/NC(=O)COc2cccc([N+](=O)[O-])c2)cc1Br 1433527 GKLFPOONXQYUKZ-GIJQJNRQSA-N 408.208 2.895 50 40 HFGB Cc1cccc(N2C(=O)[C@@H](Cc3cccc([N+](=O)[O-])c3)S/C2=C(/C#N)C(N)=O)c1 1866787 DFERZOQMGAYTGK-XUMLYMLNSA-N 408.439 2.815 50 40 HFGB COC(=O)c1ccc(/C=N/NC(=O)C(=O)NCc2ccc(Cl)cc2Cl)cc1 5511391 VDIKLMYWOYLUKL-LSFURLLWSA-N 408.241 2.547 50 40 HFGB Cc1ccc(OCC(=O)N/N=C/c2cc(O)ccc2Br)c([N+](=O)[O-])c1 9355324 OLRQYFYKEKXNJL-QGMBQPNBSA-N 408.208 2.900 50 40 HFGB CCOc1ccc(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 10315737 JFOHBQCPUGNXEQ-PXLXIMEGSA-N 412.446 2.523 50 40 HFGB Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)NNC(=O)c2ccco2)ccc1F 12536201 CTOLLSRWWAZJQR-UHFFFAOYSA-N 417.418 2.603 50 40 HFGB C=CCNc1sc2c3c(c(=O)[nH]c2c1C#N)[C@@H](c1ccncc1)C(C#N)=C(N)O3 15082912 DCGBQCBNSFYGDD-ZDUSSCGKSA-N 402.439 2.672 50 40 HFGB COc1ccc(Cl)cc1N1C(=O)C[C@@H](NNC(=O)c2ccc(Cl)cc2)C1=O 102922087 AQUZEGPPORWSLF-CYBMUJFWSA-N 408.241 2.569 50 40 HFGB COC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc1OC 408599085 OOPGXSQZRXDGLJ-AWQFTUOYSA-N 421.793 2.573 50 40 HFGB Cc1nc2ccc(Br)cn2c1C(=O)N/N=C/c1ccc2c(c1)OCCO2 979416 ASLZQTKHMWGECL-AWQFTUOYSA-N 415.247 2.940 50 40 HFGB COC(=O)Cn1cc(/C=N/NC(=O)COc2cccc3cccnc23)c2ccccc21 2361416 YMWPUFARMXBPQC-BRJLIKDPSA-N 416.437 2.892 50 40 HFGB C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)cc1OC 13424464 XLULTKCGHUEVLU-NHXNDTTKSA-N 419.275 2.672 50 40 HFGB Cc1cccc(NCC(=O)N/N=C\c2cc(I)ccc2O)c1 32110869 FNTOASNWDMULHA-OCKHKDLRSA-N 409.227 2.867 50 40 HFGB Cc1cc2c(c(=O)n1C)[C@H](c1ccc(N(C)C)c(Br)c1)C(C#N)=C(N)O2 20086786 SCHOXEZXGBRIQJ-MRXNPFEDSA-N 415.291 2.740 50 40 HFGB O=C(Cc1ccc(Cl)cc1)NNC(=O)[C@@]12C[C@@H]3C[C@@H](C[C@@](n4cncn4)(C3)C1)C2 102832805 LZFWKRKVUHRLKF-IFCLKOLQSA-N 413.909 2.617 50 40 HFGB Cc1cc(/C=C(/C#N)C(=O)N2CCOCC2)c(C)n1-c1ccc(N2CCOCC2)cc1 408784447 SPUHEGRADZPKGD-PGMHBOJBSA-N 420.513 2.697 50 40 HFGB CS(=O)(=O)N(C(=O)NC(=O)Nc1ccc(C=C(C#N)C#N)cc1)C1CCCCC1 3176640 IZBISJZBKFUOON-UHFFFAOYSA-N 415.475 2.953 50 40 HFGB COc1ccc(NC(=O)/C(C#N)=C\N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 20572349 CDMBOBOHJGMOIQ-SDXDJHTJSA-N 420.469 2.588 50 40 HFGB C[C@H](Oc1ccccc1F)C(=O)NNC(=O)Cc1csc(-c2ccccn2)n1 26532738 SCPZZZRFENISPL-LBPRGKRZSA-N 400.435 2.502 50 40 HFGB COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc5c(c4)OCO5)c32)ccc1O 8566304 UFQYTCPTACAGJF-KRWDZBQOSA-N 404.382 2.738 50 40 HFGB COc1cc([C@@H]2C(C#N)=C(N)Oc3c2oc(CO)cc3=O)ccc1OC1CCCC1 8748278 PEDLHDLOSBZVHZ-LJQANCHMSA-N 410.426 2.680 50 40 HFGB O=C(NNC(=O)c1cc(Br)c(Br)s1)c1cccnc1 13021241 YQBPMNLBRUFBPJ-UHFFFAOYSA-N 405.071 2.743 50 40 HFGB COC(=O)COc1ccc(/C=N/NC(=O)CN2C(=O)c3cccc4cccc2c34)cc1 105316164 AHCTUQJVWCUUPJ-WYMPLXKRSA-N 417.421 2.502 50 40 HFGB C=CCOc1ccc(/C=N/NC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)cc1 408908953 ZGXYOUMADIPRKL-GXPOEHQZSA-N 401.488 2.556 50 40 HFGB CN(C)c1cccc(C(=O)N/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)c1 409085566 DJVYGQZKDBTPHS-GIJQJNRQSA-N 407.224 2.893 50 40 HFGB Cc1nnc(SCC(=O)NNC(=O)c2ccc(Cl)cc2)n1Cc1ccccc1 2634307 JUDNJAHFPZUVGT-UHFFFAOYSA-N 415.906 2.842 50 40 HFGB COCCNC(=O)/C(C#N)=C/c1cc(Br)c(O)c(Br)c1 3244769 GXKWXPMAGNDBGG-RUDMXATFSA-N 404.058 2.587 50 40 HFGB O=C(COC(=O)c1ncc(Cl)c(Cl)c1Cl)NNC(=O)c1ccccc1 4766916 FIKHSLZEZPDTEM-UHFFFAOYSA-N 402.621 2.660 50 40 HFGB CCOc1cc(/C=N/NC(=O)c2ccncc2)ccc1OCC(=O)N1CCCCC1 6672374 RAGDUBJVIZFQII-BUVRLJJBSA-N 410.474 2.636 50 40 HFGB CCOC(=O)c1ccc(S(=O)(=O)NNC(=O)c2cc3c(s2)CCCCC3)cc1 12979235 SFOWBVCHCOMAPY-UHFFFAOYSA-N 422.528 2.817 50 40 HFGB O=C(N/N=C/c1ccc(OC(F)F)cc1OC(F)F)c1ccc(-n2cnnn2)cc1 36312668 DCZRIYUBJZYRQT-GZIVZEMBSA-N 424.314 2.629 50 40 HFGB Cc1nc2ccc(Br)cn2c1C(=O)N/N=C\c1ccc(C(=O)O)cc1 59435505 KYPNWOVARPVBIG-UWVJOHFNSA-N 401.220 2.867 50 40 HFGB COc1ccc(/C=C(\C#N)C(=O)N2CCOCC2)cc1Oc1nc(Cl)ncc1F 409007358 OBOUUKXVYPWEFN-MDWZMJQESA-N 418.812 2.836 50 40 HFGB CCN(CC)C(=O)Cn1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)c2ccccc21 890558 WJFVBSNAJRFISG-WPNIOXTASA-N 408.502 2.712 50 40 HFGB Cn1cc(C(=O)NNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)c2ccccc21 6547413 SRELAHIUDIIFEQ-UHFFFAOYSA-N 413.377 2.700 50 40 HFGB Cc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)NNC(=O)CC(C)C 10160936 QSRFGXOLRMNWIS-UHFFFAOYSA-N 407.467 2.742 50 40 HFGB COc1cccc(/C=N/NC(=O)Cn2c(-c3ccccn3)nc3ccccc32)c1O 13609142 BKEVJFBIEQVPLT-ZMOGYAJESA-N 401.426 2.963 50 40 HFGB COc1cc([C@H]2[C@@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)ccc1OC(C)C 20026653 VDVBWVDRBZPWKZ-NQIIRXRSSA-N 403.486 2.838 50 40 HFGB CC(C)OC(=O)c1ccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)cc1 138555644 NLYODNBOZSEBPZ-FWXGHANASA-N 422.275 2.761 50 40 HFGB O=C(CN1CCN(Cc2ccccc2)CC1)NN=Cc1ccc(Br)s1 245238301 IYASHVQSDYCQAY-UHFFFAOYSA-N 421.364 2.779 50 40 HFGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cccc(C)c2C)c1 409258101 RINJJCIZRAKGBR-CBFMJHRQSA-N 424.501 2.686 50 40 HFGB COc1ccc(/C=N/NC(=O)c2ccccc2O)cc1Cn1nnc2ccccc21 2270899 JQJSUKQZHLKCOR-YDZHTSKRSA-N 401.426 2.958 50 40 HFGB CC(C)(C)c1n[nH]c2c1[C@@H](c1cccc(OC(=O)N3CCOCC3)c1)C(C#N)=C(N)O2 5067663 AFXWVUPIRLLDSX-INIZCTEOSA-N 423.473 2.756 50 40 HFGB C[C@H]1CN(C(=O)/C(C#N)=C2\N=C(NC(=O)c3ccccc3)c3ccccc32)C[C@H](C)O1 5443159 LPQJIEMCSAPDGM-ICZFLMCXSA-N 414.465 2.747 50 40 HFGB C/C(=N\NC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 19954306 HZFNGAJAKYXPGR-XDHOZWIPSA-N 424.866 2.555 50 40 HFGB Cc1cccc(N(CC(=O)N/N=C/c2cccc(Br)c2)S(C)(=O)=O)c1 20060262 KUQQNJHLIBOOMM-YBFXNURJSA-N 424.320 2.674 50 40 HFGB CCS(=O)(=O)[C@@H](I)[C@H](O)c1ccc(Br)cc1 96519233 WXAFQPBGYIGPHD-NXEZZACHSA-N 419.078 2.678 50 40 HFGB COc1cc(F)c(S(=O)(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)cc1OC 26531803 UEBPSPSTNJLTEK-UHFFFAOYSA-N 410.467 2.764 50 40 HFGB COc1ccc(/C=C(/C#N)C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)cc1 33401891 TWWHYCIROKGRAT-DJAVKIJBSA-N 409.461 2.931 50 40 HFGB C[C@H](Oc1ccc(/C=C(/C#N)C2=NN(c3ccccc3)[C@H](N)[C@@H]2C#N)cc1)C(=O)O 59250031 GSHFNTUKBQUQMD-DHJPHNOYSA-N 401.426 2.746 50 40 HFGB COc1ccc2[nH]c(=O)c([C@@H]3C(C#N)=C(N)OC(C)=C3C(=O)OC(C)(C)C)cc2c1 876551 KIALPQOSZIZDLW-GOSISDBHSA-N 409.442 2.960 50 40 HFGB CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(OC)c(OC)c3)[C@@H]2C1 13479768 AFJTXIIDCRUZIT-WIYYLYMNSA-N 403.486 2.839 50 40 HFGB COCCNC(=O)/C(C#N)=C\c1ccc(OCc2ccc(C(=O)OC)cc2)c(OC)c1 97990505 CRDRBDIYYCNNGN-UNOMPAQXSA-N 424.453 2.730 50 40 HFGB COc1ccc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c(OC)c1 6181668 IZHKQLGLEDUHIJ-DACUGSJHSA-N 401.850 2.860 50 40 HFGB COCCCNC(=O)CSC1=C(C#N)[C@H](c2ccc(SC)cc2)CC(=O)N1 6441092 DWQOBJKAQVTSKV-HNNXBMFYSA-N 405.545 2.633 50 40 HFGB CC/C(NNC(=O)c1ccccc1)=C1\C(=O)N(c2ccc(OC)cc2)C(=O)N=C1O 9014303 YDADACBTDUYDTJ-WUKNDPDISA-N 408.414 2.717 50 40 HFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc2c3c(cccc13)CC2)c1ccccc1 20207282 OPPITGJUJFKGRX-OEAKJJBVSA-N 407.495 2.855 50 40 HFGB C[C@H]1CCCN(c2ccc(/C=C(\C#N)c3nn(CCO)c(N)c3C#N)cc2[N+](=O)[O-])C1 408974255 XYXSKTCHHZVOPY-FSEGOYHTSA-N 421.461 2.538 50 40 HFGB N#CC1=C(N)Oc2[nH]nc(-c3ccc([N+](=O)[O-])cc3)c2[C@H]1c1ccc2c(c1)OCO2 1085825 CKJGMRLCLXPHSD-INIZCTEOSA-N 403.354 2.932 50 40 HFGB COc1ccc(Cl)cc1C(=O)NNC(=O)COc1ccc(Br)cc1 2651339 VBCIQDMVQOWGSY-UHFFFAOYSA-N 413.655 2.951 50 40 HFGB CCOC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc(OC)c(OC)c1 4502859 VFJGIFCBZGASTH-MRXNPFEDSA-N 400.460 2.652 50 40 HFGB CN(CC(=O)N/N=C/c1ccccc1F)S(=O)(=O)c1cc(Cl)ccc1Cl 16187173 YXNKUSOHGGUKFB-AWQFTUOYSA-N 418.277 2.903 50 40 HFGB Cc1cccc(/C=N/NC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2)c1 33668859 YZGDDLAUCRSOFW-HYARGMPZSA-N 411.483 2.929 50 40 HFGB COC(=O)COc1ccccc1/C=C(/C#N)C(=O)NCCc1c[nH]c2ccccc12 408954695 SHCWHTJWUSYJDV-PDGQHHTCSA-N 403.438 2.986 50 40 HFGB CCOC(=O)Cc1[nH]nc2c1[C@H](c1cncc(-c3ccc(F)cc3)c1)C(C#N)=C(N)O2 1423727 UNYSRGFTVHJGSU-LJQANCHMSA-N 419.416 2.935 50 40 HFGB COc1ccc(NC(=O)C/C(C)=N/NC(=O)COc2ccccc2C)c([N+](=O)[O-])c1 4416375 NDKNFTHTPZVJIP-HYARGMPZSA-N 414.418 2.812 50 40 HFGB CCCc1c(C(=O)N/N=C(\C)c2ccc(CC(C)C)cc2)nnn1-c1nonc1N 5501131 OHBFAYHRQNZUDR-LPYMAVHISA-N 410.482 2.538 50 40 HFGB Cc1nn(C)cc1/C=N/NC(=O)C1CCN(Cc2ccc(Br)cc2)CC1 5577051 XKIRJUIBKFVCRN-SRZZPIQSSA-N 418.339 2.853 50 40 HFGB CC(=O)Nc1ccc(C(=O)N/N=C2\C(=O)Nc3cc(Br)c(C)cc32)cc1 12223507 QJAAMWVZBIJXGE-UHFFFAOYSA-N 415.247 2.802 50 40 HFGB CNC(=O)C(=O)N/N=C/c1cccc(OC)c1OCc1ccc(Cl)c(Cl)c1 408613492 ZWXXDUDBFBKVOJ-LSFURLLWSA-N 410.257 2.777 50 40 HFGB Cc1ccc(N2C(=O)[C@H](Cc3cccc([N+](=O)[O-])c3)S/C2=C(/C#N)C(N)=O)cc1 1887553 YCPJBBFYRMUFGQ-IMGOXIFKSA-N 408.439 2.815 50 40 HFGB O=S1(=O)C[C@@H](Cl)[C@@H](/N=C(/NCc2ccccc2)C(Cl)(Cl)Cl)C1 4280722 BZYTUPUKUQEHOS-MNOVXSKESA-N 404.146 2.949 50 40 HFGB CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(F)cc3F)[C@@H]2C1 4452948 KJLZFDGVTXNHIY-SJLPKXTDSA-N 409.396 2.847 50 40 HFGB Cc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NCC(C)C)c(C)c1 8369243 MUCPGYZJHCJQEE-DHRITJCHSA-N 424.501 2.543 50 40 HFGB COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(=O)[nH]c2ccccc32)cc1OC 17083143 JZEUADJJCIBRJX-GOSISDBHSA-N 405.410 2.772 50 40 HFGB O=C(CNc1ccc(I)cc1)N/N=C/c1cccc([N+](=O)[O-])c1 1052020 PJPNNMWLOSPMDM-GIJQJNRQSA-N 424.198 2.762 50 40 HFGB C=CCNC(=O)/C(C#N)=C/c1ccc(OS(=O)(=O)c2ccc(C)cc2)c(OC)c1 3570499 PGYFGDLCAWEVDA-SFQUDFHCSA-N 412.467 2.981 50 40 HFGB Cc1nc(-c2ccccc2)sc1C(=O)NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 12787995 DJIHBQTWABYUNP-UHFFFAOYSA-N 418.456 2.650 50 40 HFGB COc1ccccc1N(CC(=O)N/N=C/c1ccc(C)c(C)c1C)S(C)(=O)=O 408908668 XRRJJGFFAYLYNL-CIAFOILYSA-N 403.504 2.537 50 40 HFGB CC(C)Cn1c(SCC(=O)NNC(=O)c2cccs2)nnc1-c1ccco1 7007572 YPAMLSLDFBCCOB-UHFFFAOYSA-N 405.505 2.809 50 40 HFGB O=C(N/N=C1\C(O)=Nc2c(Cl)cc(Cl)cc21)c1ccc(-n2cnnn2)cc1 36312602 QQAXAWCBYKMFGF-UHFFFAOYSA-N 402.201 2.705 50 40 HFGB O=C(NNC(=O)N1CCO[C@H](c2cccc(Br)c2)C1)c1ccccc1 84519299 HECJLEHFVWEDKI-INIZCTEOSA-N 404.264 2.877 50 40 HFGB COc1ccc(NC(=O)C/C(C)=N/NC(=O)c2ccc(OC)cc2OC)c(OC)c1 100927733 NGHIAPFGYRYZEE-YDZHTSKRSA-N 415.446 2.856 50 40 HFGB O=C(CCl)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Cl)c1Cl 101311963 AZWIGSRBSFXKQS-GFPIWLQPSA-N 413.735 2.834 50 40 HFGB Cc1cc(/C=N\NC(=O)c2cccc(O)c2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 408843970 APWDFAHNHOOXEE-KSEXSDGBSA-N 421.409 2.960 50 40 HFGB COc1cc2c(cc1/C=N\NC(=O)c1cccc(I)c1)OCO2 409067835 QCKVBZVHOQUDCT-LSCVHKIXSA-N 424.194 2.792 50 40 HFGB CC(C)(C)c1n[nH]c2c1[C@H](c1ccc(OC(=O)N3CCOCC3)cc1)C(C#N)=C(N)O2 1438026 FYTMMVUGCJEYLF-MRXNPFEDSA-N 423.473 2.756 50 40 HFGB CCCCOc1cccc(N2/C(=N\C(=O)CCl)S[C@H]3CS(=O)(=O)C[C@@H]32)c1 101310574 ISOSEWUIBMDVLQ-IUTYPILCSA-N 416.952 2.706 50 40 HFGB C#CCOc1c(Cl)cc(/C=N/NC(=O)CNC(=O)c2ccccc2)cc1OCC 408815363 HMLYZLJPUNZZCH-ZMOGYAJESA-N 413.861 2.631 50 40 HFGB COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccnc4)c32)cc1OC 720800 TWVWUMKSPFOUJY-QGZVFWFLSA-N 405.414 2.716 50 40 HFGB CC(C)(C)c1ccc(OCC(=O)NNC(=O)CCC(=O)NCc2ccccc2)cc1 4699279 GWWZMNOCFDVHRR-UHFFFAOYSA-N 411.502 2.607 50 40 HFGB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H](C)S/C1=N/NC(=O)c1ccccc1O 5006798 WNMFNCAYLAMKSL-YYJQLICNSA-N 400.416 2.778 50 40 HFGB Cc1ccccc1NC(=S)NNC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2 5700436 ZAPYMYKEQJLSER-UHFFFAOYSA-N 400.548 2.645 50 40 HFGB O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)c1cccc2ccccc12 6346351 QOXVQGNTXQQXTI-UHFFFAOYSA-N 402.498 2.813 50 40 HFGB COc1ccc(/C=N\NC(=O)c2cc[nH]n2)cc1COc1ccc([N+](=O)[O-])c(C)c1 33334634 BUIADJDKUDXWKZ-JJFYIABZSA-N 409.402 2.978 50 40 HFGB CCN(CC)C(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc2c(c1)OCO2 408606162 OYJIDBDRJDDMLO-QGZVFWFLSA-N 411.487 2.669 50 40 HFGB COc1ccc(/C=N/NC(=O)[C@@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)cc1 408752969 KGYHFVXIKSAXTL-YRXLECQKSA-N 417.531 2.847 50 40 HFGB CCc1ccccc1NC(=O)COc1ccccc1/C=N/NC(=O)C(=O)N[C@@H](C)CC 409247973 FJAAFXYFYOXCRH-GCMSVZMUSA-N 424.501 2.631 50 40 HFGB O=C(Cc1ccc2c(c1)OCCO2)N/N=C\c1cccc(I)c1 409362201 IFKILKMQSHQQIO-ODLFYWEKSA-N 422.222 2.755 50 40 HFGB COc1ccccc1/C=N/NC(=O)Cc1nnc(NC(=O)c2ccc(C)cc2)s1 825488 OQTKNQMTUFKVOV-CIAFOILYSA-N 409.471 2.800 50 40 HFGB CCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cc(C)cc(C)c2)cc1 4664478 NUMVIBKDTGTPNI-AFUMVMLFSA-N 424.501 2.687 50 40 HFGB Cc1ccccc1OCC(=O)NNC(=O)[C@H](C)Oc1cccc(Br)c1 5943195 XYWTZOOSZHCOTQ-ZDUSSCGKSA-N 407.264 2.751 50 40 HFGB O=C(NNC(=O)c1cc(=O)[nH]c2ccccc12)c1ccc(COc2ccccc2)o1 15683867 YMBPEIOORJDOKT-UHFFFAOYSA-N 403.394 2.775 50 40 HFGB Cc1n[nH]c(C)c1/C=C(\C#N)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 40139675 INLGTLNHNARPSH-LFIBNONCSA-N 413.503 2.747 50 40 HFGB CCOC(=O)Cn1c(C)c(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2O)c2ccccc21 98087259 BSHJHLUARBDEHY-SSDVNMTOSA-N 424.413 2.891 50 40 HFGB CC(=O)[C@H]1CC[C@@H]2[C@]1(C)C[C@@H]1O[C@]13[C@@]1(C)CCC(=O)C[C@]14C=C[C@]23[C@H]1C(=O)OC(=O)[C@@H]14 118936381 WNFIGTUQYIFFFM-SFGAEXAWSA-N 424.493 2.781 50 40 HFGB Cc1ccc(OCC(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2O)c([N+](=O)[O-])c1 6199241 KBLNWKFMTSVPSE-SRZZPIQSSA-N 409.402 2.632 50 40 HFGB CCOc1ccccc1OCC(=O)N/N=C1\C(=O)Nc2ccc(Br)cc21 9948568 FFWCZKZYYUDIRY-UHFFFAOYSA-N 418.247 2.699 50 40 HFGB CCc1sc(C(=O)NNC(=O)Cc2csc(NC(=O)c3ccco3)n2)cc1C 12675853 GFDVTIRVFXODPX-UHFFFAOYSA-N 418.500 2.924 50 40 HFGB Cc1cc(/C=N/NC(=O)c2ccncc2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 59248014 FRRUWMQKHZZOND-FOKLQQMPSA-N 406.398 2.649 50 40 HFGB CCOc1ccc(-c2cc(C(=O)N/N=c3\oc4ccccc4cc3C(N)=O)[nH]n2)cc1 72332483 FXUVLSBBXRIHQV-QYQHSDTDSA-N 417.425 2.566 50 40 HFGB CCOc1ccc(N2C[C@@H](C(=O)N/N=C/c3cccc(OC)c3OC)CC2=O)cc1 6962989 ISSCDUXHRVWHFU-OHHQFBAHSA-N 411.458 2.606 50 40 HFGB O=C(COc1cccc2cccnc12)N/N=C/c1ccc(I)o1 59503460 ZZSUMXCDVJCUHS-DJKKODMXSA-N 421.194 2.962 50 40 HFGB O=C1[C@H]2C[C@@H](Br)[C@H](Br)C[C@@H]2C(=O)N1c1ccc(O)cc1 100548195 KKPZIIQFEYLENP-NNYUYHANSA-N 403.070 2.819 50 40 HFGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(OC)c([N+](=O)[O-])c1)c1ccccc1 408977096 CYUFTBQGYACXLM-REIAIGDLSA-N 414.418 2.931 50 40 HFGB COc1cc2c(cc1OC)[C@@H]1C/C(=N\NC(N)=O)C3=C(CC(C)(C)CC3=O)N1CC2 4026267 SXHUCIYBPDRDFT-BGHCKBSUSA-N 412.490 2.674 50 40 HFGB biogenic CCn1c(C)nc2cc(C(=O)NNC(=O)c3ccc(OC[C@@H]4CCCO4)cc3)ccc21 6510737 IUZGCXBLXZRJRA-IBGZPJMESA-N 422.485 2.997 50 40 HFGB O=C(NNS(=O)(=O)c1cc(Cl)sc1Cl)c1cncn1-c1ccccc1 12547261 BSHFWQPEFQPHTC-UHFFFAOYSA-N 417.299 2.864 50 40 HFGB CCN(CC)c1ccc(/C=N\NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(O)c1 13302939 XNQKSTRYPMVEQS-ODLFYWEKSA-N 401.379 2.819 50 40 HFGB COc1ccccc1N(CC(=O)N/N=C/c1ccc(C(C)C)cc1)S(C)(=O)=O 408906559 HGSMJPMODVTRIA-FYJGNVAPSA-N 403.504 2.735 50 40 HFGB COc1ccc(CC(=O)N/N=C/c2cc(Cl)c(OCC(=O)O)c(OC)c2)cc1 6581848 BSKCBZRQUAOENG-UFFVCSGVSA-N 406.822 2.513 50 40 HFGB Cc1ccc(-c2nc(C(=O)NNS(=O)(=O)c3cccc([N+](=O)[O-])c3)cs2)cc1 15632156 KIESDLIFXGRLDS-UHFFFAOYSA-N 418.456 2.650 50 40 HFGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(Br)cc2)c(OC)c1 59515436 XMXJDBJUHYEHDW-VXLYETTFSA-N 406.236 2.555 50 40 HFGB COc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)OC(C)C)c(OC)c2)cc1 408605059 WRESHDRISSPXNG-UUYOSTAYSA-N 400.431 2.798 50 40 HFGB CCOc1cc(/C=N/NC(=O)C(=O)NC(C)C)ccc1OCc1ccc(F)cc1 408607472 DDQCHZNQMIMVIW-FSJBWODESA-N 401.438 2.778 50 40 HFGB O=C1C=C(CN(CCCl)CCCl)C(=O)C=C1CN(CCCl)CCCl 1594254 ZITHTZMEJSHZGX-UHFFFAOYSA-N 416.176 2.550 50 40 HFGB C[C@@H]1CCc2sc(C(=O)NNS(=O)(=O)c3ccc(F)c(F)c3F)cc2C1 7403205 CXOMLKNTOMGSLI-MRVPVSSYSA-N 404.435 2.914 50 40 HFGB O=C(NC(=S)NNC(=O)c1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1 12289532 MOFIJMIOULFEHH-UHFFFAOYSA-N 413.242 2.851 50 40 HFGB N#C/C(=C\c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1)C(=O)NC1CCCCC1 832458 ODRITFSRQKRTOE-DOIQENQNSA-N 411.502 2.716 50 40 HFGB Cc1ccc(C)c(NC(=S)NNC(=O)[C@@H](C)Cn2cc(Br)cn2)c1 2794718 VJDQRKMHJGMIET-LBPRGKRZSA-N 410.341 2.916 50 40 HFGB COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)c2ccccc2C3=O)cc(OC)c1O 4784987 HCFOOWMJPPVVNV-INIZCTEOSA-N 404.378 2.550 50 40 HFGB O=C(N/N=C/c1ccncc1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 5175693 TVHZYTANGTWOEH-RQDKJQQVSA-N 414.421 2.732 50 40 HFGB CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2CC)S(C)(=O)=O)cc1 408786771 VVIHILRGZICCOS-KGENOOAVSA-N 403.504 2.564 50 40 HFGB CCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)c(OCC)c1 408997163 LJMYEJNFCIPACL-FSJBWODESA-N 403.866 2.904 50 40 HFGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2O)cc1 408997224 MCKZBOBRFBXPDT-RGVLZGJSSA-N 418.247 2.808 50 40 HFGB COc1cc(N2CCOCC2)ccc1/C=N/NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 409233841 UAUORWZFUDVFOZ-LPYMAVHISA-N 424.413 2.950 50 40 HFGB O=C(N/N=C/c1cc(Br)ccc1OCc1ccccc1)C(=O)NC1CC1 8219107 GNEIZHGSIPTODP-SRZZPIQSSA-N 416.275 2.757 50 40 HFGB COc1cc(/C=N/NC(=O)Cn2nc(C)cc2C)ccc1OC(=O)c1cccs1 21189433 CGOJUOPREGUYQY-SRZZPIQSSA-N 412.471 2.940 50 40 HFGB O=C(N/N=C\c1cc(Br)cc([N+](=O)[O-])c1O)c1ccc2c(c1)OCO2 23411105 FXANTBUVMRHAKN-FMQZQXMHSA-N 408.164 2.556 50 40 HFGB CCOCCCn1c(SCC(=O)/C(C#N)=C(/C)N)nc2sc(C)c(C)c2c1=O 104420471 UZOVXCMJAGONOH-OWBHPGMISA-N 420.560 2.919 50 40 HFGB COc1cccc(/C=N/NC(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)c1 408760985 BRPCDVWAYWFDDM-ISXGRJCASA-N 417.531 2.847 50 40 HFGB O=C(N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1)c1ccc([N+](=O)[O-])cc1 409183253 ACMAYFGQVLNEEI-HYARGMPZSA-N 410.430 2.750 50 40 HFGB COc1cc(/C=N/NC(=O)C(=O)NC(C)C)ccc1OCc1ccc(Cl)cc1 8217850 HQZWEESQTHSFPM-SSDVNMTOSA-N 403.866 2.902 50 40 HFGB COc1ccc(OCC(=O)N/N=C(\C)CC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 13133522 PNNWIGBZTXOBMC-FYJGNVAPSA-N 400.391 2.503 50 40 HFGB O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NN=C1CCCCCCC1 4979641 LGKQBMZZZNESBE-UHFFFAOYSA-N 421.563 2.857 50 40 HFGB COc1c(O)cc(/C=N/NC(=O)Cc2ccccc2)cc1I 8815972 ICXVJXUKAYGTNX-VCHYOVAHSA-N 410.211 2.698 50 40 HFGB CN(NC(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCC3)c1ccccc1 10737511 CFCLCEYEHJJJGQ-UHFFFAOYSA-N 400.529 2.874 50 40 HFGB COc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(C)n(Cc3cccnc3)c(=O)c21 13207196 ZMORBBNGJQUPSV-FQEVSTJZSA-N 400.438 2.827 50 40 HFGB CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)c1 24713829 BGMOBAHYMMMRBU-ROUUACIJSA-N 421.563 2.717 50 40 HFGB NC(=O)Cn1cc(/C=N\NC(=O)CSc2nc3ccccc3s2)c2ccccc21 33431196 QPDUBWOETJYVTP-AFPJDJCSSA-N 423.523 2.979 50 40 HFGB Cn1ccnc1COc1ccc(C(=O)NNC(=O)c2ccc3ccccc3n2)cc1 40119783 MVBNNSJIEMBQBM-UHFFFAOYSA-N 401.426 2.622 50 40 HFGB Cc1cccc(N2C[C@@H](C(=O)NNC(=O)c3ccc(Br)cc3)CC2=O)c1 7882434 JHWJORZSKVXXPO-AWEZNQCLSA-N 416.275 2.572 50 40 HFGB CC1=C(C#N)C(=O)N(CCN2CCOCC2)C(=O)/C1=C\Nc1ccc(C(C)(C)C)cc1 9423722 YFTXOHRYLQWIJV-PGMHBOJBSA-N 422.529 2.821 50 40 HFGB COc1cc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)cc(Br)c1O 59101579 SQDDPVDSZRVATJ-AWQFTUOYSA-N 420.263 2.869 50 40 HFGB CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C/Nc1cccc2ccccc12 102739762 UDFDNMAWGPYDSP-PUMYGXPMSA-N 421.478 2.532 50 40 HFGB Cc1cc2c(c(=O)o1)[C@]1(C(=O)N(Cc3ccccc3)c3ccccc31)C(C#N)=C(N)O2 809355 FDLGAFKHBJPSLF-XMMPIXPASA-N 411.417 2.867 50 40 HFGB CCC(=O)NNC(=O)CN1C(=O)c2ccccc2[C@@H]1c1c(C)n(C)c2ccccc12 4738940 DHOLYBJMXRXUAI-JOCHJYFZSA-N 404.470 2.589 50 40 HFGB COc1cccc(OCC(=O)N/N=C(\C)CC(=O)Nc2ccc(OC)cc2OC)c1 5370064 OPURMQSSSDTYPR-OEAKJJBVSA-N 415.446 2.612 50 40 HFGB COc1ccc2c(c1OC)C(=O)O[C@@H]2NNC(=O)c1ccccc1Br 5375460 KXQUHIZVGWLZGH-INIZCTEOSA-N 407.220 2.570 50 40 HFGB Cc1ccc(C(=O)NNC(=O)CCN2C(=O)/C(=C\c3ccco3)SC2=S)cc1 5376080 REFNAADSQFLHSG-RVDMUPIBSA-N 415.496 2.641 50 40 HFGB CC(C)(C)OC(=O)Nc1ccc(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 12992959 FUYGZSWXMUBDGR-KRWDZBQOSA-N 413.430 2.635 50 40 HFGB COc1ccc(C)cc1N(CC(=O)N/N=C/c1cccc(Cl)c1)S(C)(=O)=O 408785162 YGPGSDQGQDNTIK-RGVLZGJSSA-N 409.895 2.573 50 40 HFGB COc1ccc(C[C@@H](C(=O)NN)P(=O)(c2ccccc2)c2ccccc2)cc1OC 3109442 ZGLDKHKBJMMNDF-QFIPXVFZSA-N 424.437 2.619 50 40 HFGB CCCCCCC(=O)NN/C(C)=C1/C(=O)N(c2ccc(OC)cc2)C(=O)N=C1O 17028881 ACOAIGIMSPOAHN-GHRIWEEISA-N 402.451 2.984 50 40 HFGB CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc1 20493186 PUXMWNOLHJRKBY-UDWIEESQSA-N 409.895 2.655 50 40 HFGB COc1cccc(NC(=O)NNC(=O)c2cccn(Cc3cccc(F)c3)c2=O)c1 23136132 BKHIBECTOKZJMQ-UHFFFAOYSA-N 410.405 2.511 50 40 HFGB Cn1cc(C(=O)NNC(=O)[C@@H]2CCCN(C(=O)c3cccs3)C2)c2ccccc21 32755313 QIXGZYWZPXQGDM-CQSZACIVSA-N 410.499 2.553 50 40 HFGB CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C/Nc1cccc2ccccc12 102739764 UDFDNMAWGPYDSP-QUYZQLMHSA-N 421.478 2.532 50 40 HFGB COc1cc(/C=N/NC(=O)C(=O)NCC(C)C)ccc1OCc1ccc(F)cc1 408607154 CAWAMNQPSSNNGR-WYMPLXKRSA-N 401.438 2.636 50 40 HFGB CCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1 408609654 KVZWWDLFRAHCCW-SRZZPIQSSA-N 404.264 2.614 50 40 HFGB O=C(CSc1nnc(COc2ccc(Cl)cc2)o1)NNC(=O)c1ccccc1 408638867 UIBBIMGGAJMYDO-UHFFFAOYSA-N 418.862 2.855 50 40 HFGB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C/c3ccccn3)cc2)cc1 409128683 GJAZQZFMRHPZRB-HZHRSRAPSA-N 408.483 2.979 50 40 HFGB Cc1onc(-c2ccccc2)c1C(=O)NC(=S)NNC(=O)c1ccc(Cl)nc1 2251153 YLNHJVXDAUINAR-UHFFFAOYSA-N 415.862 2.648 50 40 HFGB N#CC1=C(N)Oc2nc(O)[nH]c(=O)c2[C@@H]1c1cn(Cc2ccccc2)c2ccccc12 4869774 FMKLYMQLJXZPFR-SFHVURJKSA-N 411.421 2.697 50 40 HFGB C[C@@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)Cc1csc(-c2ccc(F)cc2)n1 11356518 GYFMJCCNLRCKKF-CYBMUJFWSA-N 424.457 2.978 50 40 HFGB O=C(NCc1ccco1)C(=O)NNC(=O)[C@@H](Sc1ccccc1)c1ccccc1 12894698 UUSKVAMNCBFYMN-SFHVURJKSA-N 409.467 2.577 50 40 HFGB CCOc1ccccc1N(CC(=O)N/N=C(\C)c1ccc(F)cc1)S(C)(=O)=O 20210548 PORXUHPPYPKEAB-KGENOOAVSA-N 407.467 2.531 50 40 HFGB COc1cccc(-n2c(C)cc(C(=O)NNC(=O)c3ccc4c(c3)OCO4)c2C)c1 40069555 YEDGXEKBQUTICS-UHFFFAOYSA-N 407.426 2.906 50 40 HFGB COc1cc(/C=N/NC(=O)c2cc(Br)ccc2O)c(O)c([N+](=O)[O-])c1 59720937 XEAHVGRHYYAFPX-REZTVBANSA-N 410.180 2.541 50 40 HFGB O=C(Cc1ccc(O)cc1)N1CCC2(CC1)CO[C@H](CI)C2 2056225100 BVMDPQNPEMXRDB-HNNXBMFYSA-N 415.271 2.767 50 40 HFGB COc1cc(/C=C(\C#N)c2nn(-c3ccccc3)c(N)c2C#N)ccc1OCCO 4560432 QLGOEDSFPFJNFB-LFIBNONCSA-N 401.426 2.770 50 40 HFGB Cc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccc(Br)cc2)cc1 39986595 WGXHXURAAWSJCU-ODLFYWEKSA-N 424.320 2.528 50 40 HFGB CCOC(=O)/C(C#N)=C(/O)c1ccc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)cc1 100066456 XBXAHOZZTYBNPH-WUKNDPDISA-N 406.350 2.541 50 40 HFGB O=C1[C@H]2[C@H]3C[C@@H]([C@@H](Br)[C@@H]3Br)[C@@H]2C(=O)N1c1cccc(O)c1 169615962 LIAJPCACUBPKDT-PQCBQTOFSA-N 415.081 2.675 50 40 HFGB CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)ccc1OCC(=O)OC 408819342 RJJBTFRHZBDSFK-WQRHYEAKSA-N 424.453 2.869 50 40 HFGB COc1cccc(CC(=O)N/N=C\c2cc(Br)c(N3CCOCC3)o2)c1 408857743 WJOGYLQPIPULFU-NDENLUEZSA-N 422.279 2.580 50 40 HFGB Cc1cc2c(c(=O)n1Cc1cccnc1)[C@H](c1ccc([N+](=O)[O-])cc1)C(C#N)=C(N)O2 5066103 VSUGTZWOQWVKOQ-LJQANCHMSA-N 415.409 2.726 50 40 HFGB COc1ccc(/C=N/NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)cc1 19955087 BVQURWMPZGYWAP-HYARGMPZSA-N 411.483 2.765 50 40 HFGB COc1ccc(C(=O)N/N=C/c2cc3c(cc2Br)OCO3)c(OC)c1 33647157 OEWZPGWINWHEMR-UFWORHAWSA-N 407.220 2.959 50 40 HFGB C=CCN1C(=O)/C(=N/NC(=O)c2cc(Br)ccc2O)c2ccccc21 95351599 VEHWXKFYIDRDOP-CAPFRKAQSA-N 400.232 2.821 50 40 HFGB O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)NNC(=O)Cc1ccccc1 7604745 CHLVCDDBGQOXRB-UHFFFAOYSA-N 402.863 2.872 50 40 HFGB C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)c1n[nH]c2ccccc12 8242871 FEWLYZAGJYCHAC-SNVBAGLBSA-N 403.236 2.554 50 40 HFGB COc1cc(C(=O)NNC(=O)c2cc(C(C)C)n(C(C)(C)C)n2)cc(OC)c1OC 40140304 NQGWTMAERQMYAQ-UHFFFAOYSA-N 418.494 2.862 50 40 HFGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(N)=O)c(OCC)c2)cc1 409217367 BTAQJKWXZXATAC-LFIBNONCSA-N 409.442 2.894 50 40 HFGB N#Cc1ccc(C(=O)NNC(=O)c2cccc(NC(=O)c3ccc(C#N)cc3)c2)cc1 3299238 ALPATOYYQVQUFD-UHFFFAOYSA-N 409.405 2.757 50 40 HFGB O=C(COc1cccc(F)c1)NNC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 5861288 OYEROZXYJLNDHR-UHFFFAOYSA-N 416.409 2.564 50 40 HFGB CCCCOc1cccc(N2/C(=N/C(=O)CCl)S[C@H]3CS(=O)(=O)C[C@H]32)c1 8993528 ISOSEWUIBMDVLQ-MCYOWCNASA-N 416.952 2.706 50 40 HFGB CC1=C(C#N)C(=O)N(CCCO)C(=O)/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 100101115 HICYUPYYKUZACF-GZTJUZNOSA-N 407.382 2.829 50 40 HFGB Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2cccnc2)c2ccccc2)cc1 408979612 NHLOOZLALVYYIS-DOZBRYHWSA-N 422.510 2.950 50 40 HFGB COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(C)n(Cc3ccncc3)c(=O)c21 1471768 QXWMLXMLOGIXGC-HXUWFJFHSA-N 400.438 2.827 50 40 HFGB CCOC(=O)c1c(NC(C)=O)sc2c1CC[C@H](I)C2=O 4350643 ZMCJFJKNUYXPSK-QMMMGPOBSA-N 407.229 2.816 50 40 HFGB C[C@@H]1CN(C(=O)/C(C#N)=C2\N=C(NC(=O)c3ccccc3)c3ccccc32)C[C@@H](C)O1 5443161 LPQJIEMCSAPDGM-ZEVGMECHSA-N 414.465 2.747 50 40 HFGB COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)c2ccccc2C3=O)cc(OC)c1OC 12418615 SBWOMAIQVBBUEN-KRWDZBQOSA-N 418.405 2.853 50 40 HFGB CCOc1ccc2c(c1)C=C(C(=O)NNC(=O)c1cc(Cl)ccc1OC)CO2 40120555 RIVZVXZKYDIPHB-UHFFFAOYSA-N 402.834 2.984 50 40 HFGB COc1ccc(C(=O)N/N=C/c2cc(Br)c(OC)c(OC)c2)c(O)c1 409393229 WCIIEKIVLAFZTF-DJKKODMXSA-N 409.236 2.944 50 40 HFGB C=C1C(=O)O[C@@H]2C=C(COC(C)=O)CCC=C(C=O)C[C@H](OC(=O)CC(C)C)[C@H]12 958318595 SLDSEAYVUCFJOD-ZVDOUQERSA-N 404.459 2.841 50 40 HFGB biogenic,in-vitro COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(CC4CC4)c(=O)c32)c(OC)c1OC 2324001 UGWMLKVHQJXECP-SFHVURJKSA-N 423.469 2.811 50 40 HFGB Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)N2CCOCC2)cc1 2414411 LKXHQKCOSROVHX-SAPNQHFASA-N 416.437 2.561 50 40 HFGB NCCCC[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1 4521943 VMKGUOYDQYWEJP-GOSISDBHSA-N 401.419 2.924 50 40 HFGB CCOc1ccc(N([C@@H](C)C(=O)N/N=C(\C)c2ccc(F)cc2)S(C)(=O)=O)cc1 5873038 OUGRWNBJRFCXFF-WXUSHSQQSA-N 421.494 2.919 50 40 HFGB CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)NCc3ccccn3)c2C)cc1 58912259 IADCBWDWLGJMDT-VULFUBBASA-N 419.485 2.654 50 40 HFGB CCOC(=O)COc1ccccc1/C=C(/C#N)C(=O)N1CCN(c2ccccc2)CC1 59333367 KWELGHCHFCPEBT-SILNSSARSA-N 419.481 2.884 50 40 HFGB Cc1ccnc(N/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C\c2ccccc2)n1 100146866 RPQDJPXIUKRJJD-IDSGUWIASA-N 400.442 2.619 50 40 HFGB Cc1cc(C(=O)NNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)c(C)o1 5272434 NLCCVQHVINJNON-UHFFFAOYSA-N 416.437 2.729 50 40 HFGB CC(C)n1nc(C(=O)NNC(=O)c2ccc(OC(F)F)cc2)c2ccccc2c1=O 7003977 ZKPJVZSKCODILN-UHFFFAOYSA-N 416.384 2.654 50 40 HFGB CCOc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 8042755 HKUHDCPZSUJLLM-UDWIEESQSA-N 409.895 2.510 50 40 HFGB COc1c(O)cc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)cc1[N+](=O)[O-] 8783205 TZESVTWNFDGIAW-OAHLLOKOSA-N 407.338 2.634 50 40 HFGB biogenic,in-vitro N#Cc1ccc(C(=O)N/N=C/c2ccc(O)c(I)c2)c(F)c1 408968798 ZFQUXEKCKKIFLK-UFWORHAWSA-N 409.158 2.771 50 40 HFGB O=C(Cn1cc(C(F)(F)F)ccc1=O)N/N=C/c1cccc(Br)c1 3186659 KAJYXMWUACNLQR-IFRROFPPSA-N 402.170 2.780 50 40 HFGB CCOc1cc(C(=O)NCC(=O)N/N=C/c2ccccc2)cc(OCC)c1OCC 4079666 UCTAFJIRWSLUSE-ZVHZXABRSA-N 413.474 2.763 50 40 HFGB COc1ccc(CC(=O)NNc2ncnc3c2cnn3Cc2ccccc2)cc1OC 4888082 NUWLNOICTILZBH-UHFFFAOYSA-N 418.457 2.578 50 40 HFGB COc1cc(OC)cc(C(=O)NNC(=O)Cc2nc(-c3cccs3)oc2C)c1 12893694 DUZVCTXEKZWCMS-UHFFFAOYSA-N 401.444 2.732 50 40 HFGB COc1ccc([C@@H]2[C@@H]3CN(C(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC 20790259 VKNLPMQDTJAVEP-WIYYLYMNSA-N 403.486 2.838 50 40 HFGB COc1ccc(Br)cc1C(=O)N/N=C/c1cc(OC)c(O)c(OC)c1 408756913 URLHSPLHXQEYTF-DJKKODMXSA-N 409.236 2.944 50 40 HFGB COc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)NCC(C)C)c2C)cc1Cl 408971765 QCOBAQCKUBFSPK-FOKLQQMPSA-N 404.898 2.978 50 40 HFGB CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(OC)cc3)[C@H]2C1 809455 ZGGSYXPIPHIKGP-OALUTQOASA-N 403.442 2.577 50 40 HFGB CCOc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 4482304 CJZGXZUGYYWGEB-UDWIEESQSA-N 409.895 2.655 50 40 HFGB Cc1cn2c3c(=O)n(Cc4cccc5ccccc45)c(=O)n(C)c3nc2n1CCCl 10104418 JTWIVHQSMUNSCK-UHFFFAOYSA-N 421.888 2.898 50 40 HFGB CCCCCCC(=O)NN/C=C1\C(=O)N(c2ccccc2OC)C(=S)N=C1O 16637844 JTCOURQNKXODGC-SEYXRHQNSA-N 404.492 2.758 50 40 HFGB COc1ccc(/C(C)=N/NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc1 20493205 YMYDXEVXLKLLLB-DEDYPNTBSA-N 409.895 2.655 50 40 HFGB CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)c1 24713833 BGMOBAHYMMMRBU-ZWKOTPCHSA-N 421.563 2.717 50 40 HFGB N[C@H](CSSC[C@@H](N)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 37246209 XBFIAGBFSOUBNT-QZTJIDSGSA-N 420.556 2.509 50 40 HFGB C=CCNC(=S)NNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 3213525 KUGOOPFHZUDQAS-UHFFFAOYSA-N 424.555 2.708 50 40 HFGB COc1ccc(C(=O)N/N=C/c2cc(Br)c(O)c(OC)c2)c(OC)c1 6230132 XUCGIDRBQHAFDZ-DJKKODMXSA-N 409.236 2.944 50 40 HFGB O=C(NNC(=O)C1CCC1)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 17397109 SZONMUBRHHMPLP-UHFFFAOYSA-N 407.879 2.702 50 40 HFGB O=C(CCNC(=O)c1ccc(F)cc1F)NNC(=O)CC12CC3CC(CC(C3)C1)C2 22628808 PHURNVPTTSQQPQ-UHFFFAOYSA-N 419.472 2.839 50 40 HFGB CN(C)C(=O)/C(C#N)=C/c1cc(Br)cc(I)c1O 59333624 IQNRQXUMAMUJOI-FPYGCLRLSA-N 421.032 2.754 50 40 HFGB CCOC(=O)c1c(NC(=O)c2ccc(O[C@@H](C)C(=O)NN)cc2)sc(C)c1C 958554 KJDOUOIBIHOYDM-NSHDSACASA-N 405.476 2.551 50 40 HFGB N#C/C(=C\c1c(Oc2ccc(Br)cc2)nc2ccccn2c1=O)C(N)=O 2409024 AARNZPXIHBHFSL-PKNBQFBNSA-N 411.215 2.642 50 40 HFGB O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)NNC(=O)c1cccs1 3445142 DJVVZRHZYLJGBV-UHFFFAOYSA-N 413.528 2.819 50 40 HFGB N#Cc1ccccc1-c1nnn(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)n1 3666098 WGAZGGDJQHDWQQ-ZVBGSRNCSA-N 400.229 2.669 50 40 HFGB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H](C)S/C1=N/NC(=O)c1ccccc1O 5006800 WNMFNCAYLAMKSL-LSJFPCETSA-N 400.416 2.778 50 40 HFGB COC(=O)COc1ccc(/C=N/NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1 5205568 KNCJQHCMISRAPO-KEBDBYFISA-N 417.443 2.530 50 40 HFGB O=C(NNC(=O)C1CCC1)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 13010252 YIAQBZXTCDCEPZ-UHFFFAOYSA-N 407.879 2.702 50 40 HFGB CCCOc1ccc(C(=O)N/N=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 20197752 KDXHCNKHVJXTRQ-PXLXIMEGSA-N 412.446 2.984 50 40 HFGB CCCOc1ccc(/C=N/NC(=O)CN(c2ccccc2C)S(C)(=O)=O)cc1 20207542 GFYGQFXAYYBORG-KGENOOAVSA-N 403.504 2.700 50 40 HFGB O=C(N/N=C/[C@@H]1C(=O)NC(=O)N(c2ccccc2F)C1=O)c1cccc2ccccc12 408534395 LTXDFKNMYMCCRD-UPVZUOOXSA-N 418.384 2.594 50 40 HFGB CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)N/N=C/c2ccncc2)cc1 408727756 RVEMLYTZKDHXND-HZHRSRAPSA-N 408.483 2.812 50 40 HFGB O=C(Cc1ccc(Cl)cc1)NN[C@H]1CC(=O)N(c2ccc3ccccc3c2)C1=O 3330688 JZJBUIPLBCSCCC-IBGZPJMESA-N 407.857 2.989 50 40 HFGB CC[C@H](OC(=O)[C@H]1[C@H]2C(=O)O[C@H]3[C@@H]2C[C@H]1[C@H]3Br)C(=O)c1ccccc1 408681209 HJADJFQXCZEBFG-VGODUVCRSA-N 407.260 2.762 50 40 HFGB COc1cc(Br)cc(/C=N/NC(=O)c2cccc(NC(C)=O)c2)c1O 6363467 XWMWIMIPVOEQGZ-DJKKODMXSA-N 406.236 2.886 50 40 HFGB CN(C)c1ccc(/C=N/NC(=O)COc2ccc([N+](=O)[O-])cc2Br)cc1 9720510 DEQASXAYACWUJZ-VXLYETTFSA-N 421.251 2.952 50 40 HFGB C[C@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)Cc1csc(-c2ccc(F)cc2)n1 11356517 GYFMJCCNLRCKKF-ZDUSSCGKSA-N 424.457 2.978 50 40 HFGB CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)Nc2ccc(Cl)cc2)c1 13149210 RUGXNFYHKJMWGB-UHFFFAOYSA-N 424.910 2.837 50 40 HFGB Cc1ccccc1N(CC(=O)N/N=C/c1ccc(Br)cc1)S(C)(=O)=O 19954687 NJCJBOHLMGCESH-YBFXNURJSA-N 424.320 2.674 50 40 HFGB CC(C)[C@@H](Br)C(=O)Nc1cc2c(cc1N1CCCC1)n(C)c(=O)n2C 408526382 BFAZUDADGYEGAQ-MRXNPFEDSA-N 409.328 2.835 50 40 HFGB COC(=O)C(C#N)=Cc1ccc(OCCOS(=O)(=O)c2ccc(C)cc2)cc1 2362797599 QNCQTTXSWFCBRG-UHFFFAOYSA-N 401.440 2.859 50 40 HFGB CC(C)(C)c1n[nH]c2c1[C@H](c1ccccc1OC(=O)N1CCOCC1)C(C#N)=C(N)O2 6659044 AITCPPCULPMVPM-MRXNPFEDSA-N 423.473 2.756 50 40 HFGB CCOc1ccc(C(=O)NNC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)cc1 14233643 CBLFVTLCRWLOSR-UHFFFAOYSA-N 413.449 2.538 50 40 HFGB O=C(COc1ccc(Br)cc1)N/N=C1/SCC(=O)N1Cc1ccco1 33323932 MKEJZSYQIWDABV-KNTRCKAVSA-N 424.276 2.584 50 40 HFGB CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Br)c1OCC(=O)O 408786723 VHMIRMIYKLMRQX-XGICHPGQSA-N 411.252 2.743 50 40 HFGB C[C@@H]1O[C@@H](Cl)C[C@@H](NC(=O)C(F)(F)F)[C@H]1OC(=O)c1ccc([N+](=O)[O-])cc1 1567186 OTACEVQPAKEQEB-BWWFWGKFSA-N 410.732 2.541 50 40 HFGB NC(=O)N[C@H](CC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(Cl)cc1 6549498 IVDMATZHISHPHU-KLXDDXCJSA-N 418.925 2.803 50 40 HFGB Cc1ccsc1/C=c1\sc2n(c1=O)C(N)=C(C#N)[C@@H](c1sccc1C)C=2C#N 12463213 ZBSPPCWVRDZXEI-NXADEVLQSA-N 422.560 2.601 50 40 HFGB N#CC(=O)N/N=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 100306246 HDGMHETZIGRBTB-DJKKODMXSA-N 403.192 2.910 50 40 HFGB O=C(NNS(=O)(=O)c1ccc(Br)cc1)c1ccccc1-n1cccc1 1394364 WXVYDBRCMKUJCX-UHFFFAOYSA-N 420.288 2.863 50 40 HFGB CCOC(=O)Cn1c(C)c(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)c2ccccc21 4108759 QWEPCJUXAZFQJP-WYMPLXKRSA-N 421.453 2.934 50 40 HFGB CCOc1ccc(N2C[C@H](C(=O)NNC(=O)c3ccc(Cl)cc3)CC2=O)cc1 6430887 LGULBIBXFYXDGE-CQSZACIVSA-N 401.850 2.553 50 40 HFGB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1O 16479495 QBCKYJNRILJFLQ-HZHRSRAPSA-N 423.494 2.733 50 40 HFGB COc1ccc([C@@H]2C(C#N)=C(N)C(C#N)(C#N)C3=CCN(C(C)C)C[C@H]32)c(OC)c1 19831988 BOHRYMURFFJDQZ-WIYYLYMNSA-N 403.486 2.838 50 40 HFGB COc1cc(/C=N\NC(N)=O)cc(Br)c1OCCOc1ccccc1 35409451 UWMHBUATVKUDGX-JAIQZWGSSA-N 408.252 2.918 50 40 HFGB Cc1cc2c(c(=O)n1Cc1ccc3c(c1)OCO3)[C@H](c1cccnc1)C(C#N)=C(N)O2 37868578 RBQKGGFKGONOMV-HXUWFJFHSA-N 414.421 2.547 50 40 HFGB O=C(NC[C@@H]1CCCO1)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1 408607683 DYKAUOOJTYOMOI-AMAFCZHPSA-N 415.877 2.664 50 40 HFGB COC(=O)c1ccc(/C=N/NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)cc1 1095086 KNHNXOVBTBHKAY-ZVHZXABRSA-N 411.433 2.615 50 40 HFGB COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc5c(c4)OCO5)c32)ccc1O 8566310 UFQYTCPTACAGJF-QGZVFWFLSA-N 404.382 2.738 50 40 HFGB O=NN(CC(=O)N/N=C\C=C/c1ccccc1)CC(=O)N/N=C/C=C\c1ccccc1 8614573 NGGQPFWHNIOSMU-BMCGREMXSA-N 418.457 2.601 50 40 HFGB O=C(COc1ccccc1-c1ccccc1)NNC(=O)[C@@H]1Cc2ccccc2C(=O)O1 12611069 DDHKEJVVOXENPE-NRFANRHFSA-N 416.433 2.662 50 40 HFGB O=C(NNC(=O)[C@@H](NC(=O)c1cccs1)c1ccccc1)c1cccc([N+](=O)[O-])c1 40051280 PXPZRIUHLXYLJW-KRWDZBQOSA-N 424.438 2.589 50 40 HFGB Cc1cccc(OCCOc2ccccc2/C=N/NC(=O)Cc2nnc(N)s2)c1 2251524 WLCYSTSOLZOAFV-LPYMAVHISA-N 411.487 2.579 50 40 HFGB COc1cc(/C=N/NC(=O)Cc2nnc(N)s2)ccc1O[C@@H](C)c1ccccc1 4856526 ZZPNMLFAGIZPEG-AEOXGOBCSA-N 411.487 2.962 50 40 HFGB CCOC(=O)Cn1cc(/C=N/NC(=O)Cc2ccc(OC)c(OC)c2)c2ccccc21 6350316 ZSGYIGXLUCBMLD-ZMOGYAJESA-N 423.469 2.914 50 40 HFGB COc1ccc(CC(=O)NNC(=O)c2ccc(OC(C)C)cc2)c(OC)c1OC 17294340 VMUWRVYGWNKJBL-UHFFFAOYSA-N 402.447 2.503 50 40 HFGB Cc1cccc(/C=N/NC(=O)CN(c2ccccn2)S(=O)(=O)c2ccccc2)c1 19951321 UOZAXRVXCJGCGT-HZHRSRAPSA-N 408.483 2.736 50 40 HFGB O=C(NNC(=O)c1ccc(=O)n(Cc2ccc(Cl)cc2)c1)c1ccc(F)c(F)c1 23109470 GWYSHQMWGIFZHA-UHFFFAOYSA-N 417.799 2.903 50 40 HFGB COc1ccc(N2C[C@H](C(=O)NNC(=O)c3ccc(C(C)(C)C)cc3)CC2=O)cc1 28409336 OVSMODMHYSJBEE-MRXNPFEDSA-N 409.486 2.807 50 40 HFGB CC(=O)Nc1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])cc(Br)c2O)cc1 38166260 WWPKGKSCSULHDB-QGMBQPNBSA-N 421.207 2.785 50 40 HFGB O=C(CCl)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1C(F)(F)F 101308598 WRKUVEZEOVALTC-AOMAHKHESA-N 412.842 2.546 50 40 HFGB O=C(NNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)c2ccccc2)cc1 825384 DBNNMBLXTNHENL-UHFFFAOYSA-N 404.382 2.922 50 40 HFGB CC(C)c1ccc(N2C(=O)N=C(O)/C(=C/NNC(=O)c3ccccc3O)C2=O)cc1 6782284 OJMULWRXUVPHFR-WJDWOHSUSA-N 408.414 2.757 50 40 HFGB COc1cc(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])cc1OC 17517887 RTUMGAAHXOSRIJ-UHFFFAOYSA-N 401.419 2.984 50 40 HFGB COC(=O)COc1ccc(/C=N/NC(=O)CSCc2ccc(OC)cc2)cc1 59473065 WTYJOCGMEYIVIR-SRZZPIQSSA-N 402.472 2.631 50 40 HFGB COc1ccc(CC(=O)N/N=C2\C(=O)N(CN3CCCCC3)c3ccccc32)cc1 85945212 ZHQOTTVDAICRHD-LVWGJNHUSA-N 406.486 2.548 50 40 HFGB C/C(CC(=O)Nc1cccc(Br)c1)=N\NC(=O)c1ccc(O)cc1O 100527506 AUNWCGMECANLHN-KEBDBYFISA-N 406.236 2.995 50 40 HFGB Nc1ccccc1N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O 254623948 MBKHUNRVMPCQNA-IMSYWVGJSA-N 402.086 2.695 50 40 HFGB CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1cccc(OC)c1OCC 408910241 JBWDPDHJMWFOIC-MMTNMYCKSA-N 413.474 2.901 50 40 HFGB COCCNC(=O)/C(C#N)=C/c1c(Oc2cccc(C)c2C)nc2ccccn2c1=O 4205511 ZQERMTMIZPARJQ-GHRIWEEISA-N 418.453 2.773 50 40 HFGB CCN1C(=O)/C(=N/NC(=O)COc2ccccc2)c2cc(Br)ccc21 8203201 XVYRYWFIBXSIHX-HEHNFIMWSA-N 402.248 2.715 50 40 HFGB C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)N/N=C/c4ccccc4O)c(=O)c23)C1 36067348 ZUQDELBMIPXOOG-YOFFJTSCSA-N 410.499 3.000 50 40 HFGB O=C(N/N=C/c1cc2c(cc1Br)OCO2)C(=O)Nc1ccc(Cl)cc1 59515629 RMYCVYRGGZFVQI-FBCYGCLPSA-N 424.638 2.920 50 40 HFGB Cc1cc(/C=N/NC(=O)c2ccc(O)cc2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 59679508 FRGOUDOPOPSPCR-FOKLQQMPSA-N 421.409 2.960 50 40 HFGB O=C1N(CN2CCN(c3ccccc3)CC2)c2ccccc2[C@@]12OC[C@H](CCl)O2 16489090 HPBCMYWTBUQHOX-AVRDEDQJSA-N 413.905 2.620 50 40 HFGB O=C(COc1ccc(/C=N\NC(=O)COc2ccccc2)cc1)NCc1ccccc1 58883257 PUAMNAYDPSNBHW-QQXSKIMKSA-N 417.465 2.911 50 40 HFGB N#C/C(=C/c1cn(CC(N)=O)c2ccccc12)C(=O)NCCc1c[nH]c2ccccc12 108948402 BVJCZWAHMCWRIN-BOPFTXTBSA-N 411.465 2.874 50 40 HFGB COc1ccc(Cl)cc1NC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32 408676104 AAOQUNLJTZMBGJ-ZXNRBLBOSA-N 400.656 2.858 50 40 HFGB Cc1cccc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)c1 408789819 MBHIWVUXOFQSSR-SSDVNMTOSA-N 413.421 2.930 50 40 HFGB COc1ccccc1-n1nc(C(=O)N/N=C\c2ccc(Cl)cc2)c(C)c(C#N)c1=O 409058430 ONWPFQTXKXZKLW-MSXFZWOLSA-N 421.844 2.839 50 40 HFGB Nc1c(Cl)c(Cl)nc(C(=O)N/N=C/c2ccccc2OCC(=O)O)c1Cl 3576089 KUTVYTLDGXOPOE-DENHBWNVSA-N 417.636 2.851 50 40 HFGB CNC(=S)SSC(=S)NCCNC(=S)SSC(=S)NC 4428880 LOCURLLIZHFKJU-UHFFFAOYSA-N 422.764 2.507 50 40 HFGB CCCOc1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 216065339 NDTMBXAGSOFEPJ-PXLXIMEGSA-N 412.446 2.984 50 40 HFGB Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)N3CCOCC3)c(Oc3ccccc3)nc12 3644098 GRAZZFFYUFYNQD-SAPNQHFASA-N 416.437 2.561 50 40 HFGB CC[C@@H](C)NC(=O)C/C(C)=N/NC(=O)c1ccc(I)cc1 4411004 WQQPUYQBLQDJCQ-NFDWGTCTSA-N 401.248 2.702 50 40 HFGB CC(=O)N1C(=O)/C(=N\NC(=O)CNc2cccc(C(F)(F)F)c2)c2ccccc21 5444089 FXCLWEGTJQEZSN-UQQQWYQISA-N 404.348 2.531 50 40 HFGB CCOc1ccc(-c2n[nH]c(=S)n2CCC(=O)NNC(=O)c2ccoc2C)cc1 16514994 XOUILCNOVNSNQI-UHFFFAOYSA-N 415.475 2.759 50 40 HFGB COc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(Br)c2)c1OC 59515428 ZQIOEOMSKNJUDW-VXLYETTFSA-N 406.236 2.555 50 40 HFGB CCNC(=O)NNC(=O)c1cc2cc(Br)cc(Br)c2o1 64496976 VDBJOZVEGMRNMH-UHFFFAOYSA-N 405.046 2.922 50 40 HFGB O=C1[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C(=O)N1Nc1ccccc1 100842966 XEUZBZLQQASJJG-LVTVNPDKSA-N 414.097 2.791 50 40 HFGB COc1ccc(CCNC(=O)C/C(C)=N/NC(=O)CCc2ccccc2)cc1OC 100923147 XFSDBWVBOUMNAM-KOEQRZSOSA-N 411.502 2.878 50 40 HFGB O=C(Cc1ccc(O)cc1)N1CCC2(CC1)CO[C@@H](CI)C2 2056225101 BVMDPQNPEMXRDB-OAHLLOKOSA-N 415.271 2.767 50 40 HFGB COc1ccc(/C=N/NC(=O)Cc2nnc(NC(=O)Nc3ccccc3)s2)cc1 1958350 RFGMVDLEBWXTDZ-UDWIEESQSA-N 410.459 2.884 50 40 HFGB Cc1cccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NCC(C)C)c2)c1C 409163590 UNYHSZMLTHCJRL-DHRITJCHSA-N 424.501 2.543 50 40 HFGB Cc1ccc(N2C[C@@H](C(=O)N/N=C\c3cc(Br)ccc3O)CC2=O)cc1 409174774 OTDZETXPHVVXLT-LKEIMFIWSA-N 416.275 2.966 50 40 HFGB O=C(NNC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12)c1ccccc1F 3395726 AACBOSNJEKEDSJ-UHFFFAOYSA-N 402.385 2.600 50 40 HFGB CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)NCc3ccco3)c2C)cc1 7918638 YQOQEPXSSYZFML-ZMOGYAJESA-N 408.458 2.852 50 40 HFGB CCn1c(NNC(=O)c2cc(Cl)c(OC)c(OC)c2)nc2ccccc2c1=O 10680256 XGDZDJBBWPUAGM-UHFFFAOYSA-N 402.838 2.844 50 40 HFGB CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)ccc1OCC(N)=O 409246752 AYGBQAAGALWMTM-UYRXBGFRSA-N 407.470 2.605 50 40 HFGB O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)N/N=C\c1c[nH]c2ccccc12 4458965 UNWBVWIYSYVWJM-VROXFSQNSA-N 405.483 2.968 50 40 HFGB CCn1nc(C(=O)NNC(=O)c2cc(F)c(Cl)cc2Cl)c2ccccc2c1=O 17190272 CJUYRRGYVYGTCR-UHFFFAOYSA-N 423.231 2.937 50 40 HFGB COC(=O)c1c(C)[nH]c(C(=O)NNC(=O)COc2ccccc2-c2ccccc2)c1C 17201892 VBKHPKSJELDIJG-UHFFFAOYSA-N 421.453 2.925 50 40 HFGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)NCc3ccccn3)c2C)cc1C 58912276 UWXXIHRBZNJQSK-LGJNPRDNSA-N 403.486 2.872 50 40 HFGB COc1cc(/C=N/NC(=O)C(=O)NC(C)C)cc(Cl)c1OCc1ccccc1 408609986 MHDBKRDLCCQFLN-SSDVNMTOSA-N 403.866 2.902 50 40 HFGB Cc1cc(C)nc(SCC(=O)N/N=C/c2cccn2-c2cccc(C(=O)O)c2)n1 409105877 JNDPVNRXSQKHSA-SRZZPIQSSA-N 409.471 2.825 50 40 HFGB COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1ccc(I)o1 409223137 GPRDRAKIAGSTSL-VIZOYTHASA-N 415.143 2.565 50 40 HFGB CC(C)c1ccc(/C=N/NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 3321621 VGXCVDFNYYNBQW-PXLXIMEGSA-N 415.515 2.595 50 40 HFGB O=S(=O)(c1ccccc1)N1C[C@H]2C[C@@H](Br)[C@@H](Br)C[C@@H]21 4973078 UVEUJHUBZDYONZ-XEZLXBQYSA-N 409.143 2.997 50 40 HFGB Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1cc2c(s1)CCCCC2 12701467 QFUNIORJKPKWFB-UHFFFAOYSA-N 420.560 2.693 50 40 HFGB COc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)cc(Cl)c1OCC(N)=O 12817026 IZKOFNKYOMSLRH-VTEMSQBJSA-N 405.882 2.815 50 40 HFGB O=C(NNC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12)c1cccc(F)c1 12905227 FYMVQPAPKTYAAM-UHFFFAOYSA-N 402.385 2.600 50 40 HFGB O=C(N/N=C/C(Cl)=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1C(=O)O 17028096 CRMQGTZUFQNKGI-QPFYDBMPSA-N 416.777 2.613 50 40 HFGB CC(=O)Nc1ccc(C(=O)N/N=C(\C)CC(=O)Nc2ccccc2NC(C)=O)cc1 100059053 DYLAQHDLUNHPJV-DHRITJCHSA-N 409.446 2.738 50 40 HFGB O=C(NN[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O)c1cccc(Br)c1 100572060 DXBZMULLVYYCIJ-AWEZNQCLSA-N 422.666 2.669 50 40 HFGB CCOc1cc(/C=C(\C#N)C(=O)N2CCOCC2)cc(Br)c1OC(C)=O 408764506 XDZKOEMUEXQZFS-RIYZIHGNSA-N 423.263 2.539 50 40 HFGB O=C(COc1cccc(Cl)c1)N/N=C\c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 409012566 KIXRGJZWRCDFFD-MTJSOVHGSA-N 418.837 2.614 50 40 HFGB Cc1c(C(=O)N/N=C\c2cccc(Cl)c2)nn(-c2ccc(F)cc2)c(=O)c1C#N 409059976 TVILTDKBGNYZIR-MYKKPKGFSA-N 409.808 2.969 50 40 HFGB CCc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)N[C@H](C)CC)cc1 409270443 POAXKEUIQVRIGF-HUSFYUSLSA-N 424.501 2.631 50 40 HFGB COc1cccc(/C=N/NC(=O)c2c(C)nc3ccc(Br)cn23)c1O 1090853 FDNICFQJVPCJJP-UFWORHAWSA-N 403.236 2.883 50 40 HFGB CCn1c(C)nc2cc(C(=O)N/N=C/c3c(Cl)nc4ccccn4c3=O)ccc21 3194155 JHNJFQOKPINCKY-SSDVNMTOSA-N 408.849 2.790 50 40 HFGB COc1ccc(/C=N/NC(=O)c2sc(-c3ccccc3)cc2N)cc1OCC(N)=O 3444042 KMQHESIJHPWDGD-BHGWPJFGSA-N 424.482 2.634 50 40 HFGB COc1cc(C(=O)NNC(=O)[C@H](C)Br)c(-n2c(C)ccc2C)cc1OC 4285222 CKWUBHFSOSTYJS-LBPRGKRZSA-N 424.295 2.656 50 40 HFGB CCCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2c(C)cccc2C)c1 6428386 RSQXHRBVTJHIJZ-AFUMVMLFSA-N 424.501 2.687 50 40 HFGB C[C@@H](OC(=O)c1ccccc1NCc1ccco1)C(=O)NNC(=O)c1ccccc1 7371548 VZFKGXNUYHKOGJ-OAHLLOKOSA-N 407.426 2.898 50 40 HFGB CC(C)(C)OC(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 10415917 KPDVZHNMCGOZJW-UHFFFAOYSA-N 409.439 2.796 50 40 HFGB Cc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccccc2C(F)(F)F)cc1 16309266 DNDOALSFKMRHNX-JJFYIABZSA-N 413.421 2.785 50 40 HFGB CC(C)(C)OC(=O)/C(C#N)=C1\CC[C@@H]([C@@H]2CC/C(=C(/C#N)C(=O)OC(C)(C)C)N2)N1 19312942 MQYOUGDNKUGORR-URISWADMSA-N 414.506 2.729 50 40 HFGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccs1)c1cc(Cl)cc(Cl)c1 20211471 UMBMSXRKJCWAEN-CAOOACKPSA-N 406.316 2.971 50 40 HFGB CCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1ccc(F)cc1 408709031 WNXLUVBICREUNN-UFFVCSGVSA-N 407.243 2.918 50 40 HFGB O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 4132495 YHLXESSEEJUFCF-CIAFOILYSA-N 417.385 2.659 50 40 HFGB Cc1ccc(C(=O)NNC(=O)CSc2nc(CNc3cccc(C)c3)n[nH]2)cc1 5448219 SCUADLLJQRHUOR-UHFFFAOYSA-N 410.503 2.587 50 40 HFGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccc(Cl)c1Cl)Cc1ccccc1 6584678 DBZIUKTWFLZZEY-KEBDBYFISA-N 414.314 2.905 50 40 HFGB Cc1cccc(C)c1NC(=O)COc1ccccc1/C=N/NC(=O)C(=O)NCC(C)C 6868110 JAWHNNSSFPCLKA-DHRITJCHSA-N 424.501 2.543 50 40 HFGB Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 40128080 KVYPZADQLQJUCG-UHFFFAOYSA-N 411.393 2.540 50 40 HFGB O[C@]12[C@H](Br)[C@H]3[C@H]4C[C@H]5[C@H]3[C@@H]1[C@@](O)(c1c(F)c(F)c(F)c(F)c1F)[C@H]5[C@@H]42 103914563 IODPQNWDBGXUDE-ZYCZPSFNSA-N 423.175 2.836 50 40 HFGB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=C(/C#N)C(=O)N1CCN(c2ccccc2)CC1 408856011 GXTUVRWWSHLGKT-MHZRJXOASA-N 413.481 2.824 50 40 HFGB O=C(COc1ccc(/C=N/NC(=O)c2ccncc2)cc1)NCCc1ccccc1 821088 WCWSMLKVPQVMSZ-WGOQTCKBSA-N 402.454 2.583 50 40 HFGB COc1ccc(Br)cc1/C=N/NC(=O)c1nn(C)cc1Br 1089406 KXVPHKQLNJCUAX-OMCISZLKSA-N 416.073 2.718 50 40 HFGB CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)cc([N+](=O)[O-])c1O 1892853 LIAQSTWWMPNMIY-DJKKODMXSA-N 415.431 2.818 50 40 HFGB O=C(N/N=C/C(Cl)=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1C(=O)O 2362292 CRMQGTZUFQNKGI-IEVHIFFYSA-N 416.777 2.613 50 40 HFGB C=CCNC(=O)/C(C#N)=C/c1c(Oc2ccc(OC)cc2)nc2ccccn2c1=O 13769925 AUNYXERAKUQTIF-FYWRMAATSA-N 402.410 2.705 50 40 HFGB O=C1[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C(=O)N1c1ccccc1O 102630480 PCMVWTQSMHUDDE-JXUBOQSCSA-N 403.070 2.819 50 40 HFGB COc1ccc(/C=N/NC(=O)c2ccc(CSc3nncn3C)cc2)cc1OC 3225487 HPEOZNYYIWOKHE-SRZZPIQSSA-N 411.487 2.889 50 40 HFGB COC(=O)NNC(=O)Cc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1 8195503 VUUFQJJMZFTEGF-UHFFFAOYSA-N 413.455 2.570 50 40 HFGB CC(C)c1ccc(N(CC(=O)N/N=C/c2ccc(N(C)C)cc2)S(C)(=O)=O)cc1 408783683 PZXRIISBGNOHNQ-HYARGMPZSA-N 416.547 2.792 50 40 HFGB COc1ccc(C(=O)N/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)c(O)c1 409390494 DIKITXVTZXAPDS-REZTVBANSA-N 410.180 2.541 50 40 HFGB COc1ccccc1Cn1c(C)cc2c(c1=O)[C@H](c1ccncc1)C(C#N)=C(N)O2 8625674 ABDRINVNJVDDJR-HXUWFJFHSA-N 400.438 2.827 50 40 HFGB COc1cc(C(=O)NNC(=O)c2cnccn2)ccc1OCc1ccccc1Cl 11220443 BAAIIRQHIKBMAJ-UHFFFAOYSA-N 412.833 2.792 50 40 HFGB CCOc1ccc(C(=O)NNC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1OC 12693991 QTMRNCHKZGVDKQ-HNNXBMFYSA-N 421.494 2.502 50 40 HFGB COc1ccccc1/C=N/NC(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O 408776336 YTJOBOQRSCVKMH-RGVLZGJSSA-N 409.895 2.573 50 40 HFGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(C4CC4)c(=O)c32)c(OC)c1OC 2241362 ZLQSJVNKRXGBPO-QGZVFWFLSA-N 409.442 2.736 50 40 HFGB Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)N2CCOCC2)c1 2421508 YFEFTUVUXZCWOE-SAPNQHFASA-N 416.437 2.561 50 40 HFGB CCOc1ccc(N2C[C@@H](C(=O)N/N=C/c3cc(OC)ccc3OC)CC2=O)cc1 6962971 KXAAAIKREHGNPY-OHHQFBAHSA-N 411.458 2.606 50 40 HFGB O=C(NNC(=S)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 13976661 NDZRDJRHERROLY-UHFFFAOYSA-N 413.242 2.851 50 40 HFGB Cc1ccc(C)n1-c1nc(CC(=O)NNC(=O)c2cc(-c3ccccc3)n[nH]2)cs1 40144760 HYDGGNLWCMQYBT-UHFFFAOYSA-N 420.498 2.944 50 40 HFGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCC(=O)OC)cc1 408794247 RPRZXYSUEWMVOW-SFQUDFHCSA-N 408.410 2.961 50 40 HFGB Cc1cc(/C=N/NC(=O)c2ccccc2F)c(C)n1-c1ccc(S(N)(=O)=O)cc1 408967213 QWNJFERKCSYLRP-FSJBWODESA-N 414.462 2.645 50 40 HFGB CS(=O)(=O)Nc1ccc(/C=C/C(=O)NNc2c(F)c(F)c(F)c(F)c2F)cc1 28336145 XRPLKIXFYJFDBH-QPJJXVBHSA-N 421.347 2.910 50 40 HFGB O=C(N/N=C/c1cccc(O)c1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 59922026 OKJLYXPQYAKPRA-FYJGNVAPSA-N 421.906 2.597 50 40 HFGB CCc1ccc(-n2nc(C(=O)N/N=C\c3ccc(F)cc3)c(C)c(C#N)c2=O)cc1 409051408 CECSATYEZVCFNM-MXAYSNPKSA-N 403.417 2.878 50 40 HFGB COc1ccc(SCC(=O)N/N=C\c2cccc(OC)c2O[C@@H](C)C(=O)O)cc1 409244966 LKKIRHDKBORRGM-GMDDEGIZSA-N 418.471 2.798 50 40 HFGB CCc1ccccc1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)N[C@H](C)CC)c1 409254645 FEXOFLMNJKRDGB-HUSFYUSLSA-N 424.501 2.631 50 40 HFGB CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@]12C(=O)N(C)c1ccccc12 1252728 LNYHRLJASCSBDF-QHCPKHFHSA-N 401.422 2.599 50 40 HFGB Cc1ccc(OCCOc2ccc(/C=N/NC(=O)Cc3nnc(N)s3)cc2)cc1 1841351 HGTVCSZWAFUQJT-LPYMAVHISA-N 411.487 2.579 50 40 HFGB CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)NN)[C@H]2Br 242522196 ILSUHDVXLKAOJW-AGEOJFDCSA-N 418.955 2.662 50 40 HFGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cccc(OC)c1OCc1ccc(F)cc1 408612598 WAJBSTQUBRURBS-CHOFVFFHSA-N 401.438 2.778 50 40 HFGB CN(C)c1cccc(C(=O)N/N=C/c2ccc(O)c(I)c2)c1 408964401 RIRJNRXFLXJYGN-VCHYOVAHSA-N 409.227 2.827 50 40 HFGB O=C(N/N=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1)c1ccc(F)cc1 409001096 GSIMPJBLLMHAHH-CIAFOILYSA-N 401.419 2.661 50 40 HFGB O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1cccn1-c1ccc([N+](=O)[O-])cc1 2359495 SKKDAEPXVZHNIS-UDWIEESQSA-N 409.358 2.823 50 40 HFGB CCN(CC)S(=O)(=O)c1ccc(NNC(=O)NC2CCCCC2)c([N+](=O)[O-])c1 9096952 QDYLCIBVGCDPJO-UHFFFAOYSA-N 413.500 2.584 50 40 HFGB COc1c(O)ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c1[N+](=O)[O-] 3146251 AJJZZTZCMIJYOM-OEAKJJBVSA-N 421.409 2.695 50 40 HFGB COCCCNC(=O)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 6579814 KUJBOWYERIMQFX-YDZHTSKRSA-N 403.866 2.522 50 40 HFGB COc1ccccc1OCC(=O)NNC(=O)COc1ccc(-c2ccccc2)cc1 6762612 VLJJYTBUVSTTGD-UHFFFAOYSA-N 406.438 2.967 50 40 HFGB COc1ccc(/C=N\NC(=O)CCCCC(=O)N/N=C/c2ccc(OC)cc2)cc1 31629067 JXIHJXIWJZQQHP-REPVBDINSA-N 410.474 2.865 50 40 HFGB CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(OC)c(OC)c3)[C@H]2C1 33936232 AFJTXIIDCRUZIT-RXVVDRJESA-N 403.486 2.839 50 40 HFGB Cc1ccc(C(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1S(C)(=O)=O 40140458 VPTJQJWMDJFHGC-UHFFFAOYSA-N 404.532 2.766 50 40 HFGB COc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)NCc3ccccc3)c2C)cc1 58911726 DLNUOSZPJBSKDZ-MFKUBSTISA-N 404.470 2.869 50 40 HFGB CCNC(=O)/C(C#N)=C/c1c(Oc2ccc(OC)cc2)nc2c(C)cccn2c1=O 2235111 AGNOOLUFXAJJNV-NTCAYCPXSA-N 404.426 2.847 50 40 HFGB CSc1nc(N)[n+]2c(c1C#N)S[C@H]1CCC[C@H](I)[C@H]12 5353710 RSFQCTTUXCRVTN-XHNCKOQMSA-O 405.310 2.548 50 40 HFGB COC(=O)c1ccc([C@@H]2CC(=O)NC(SCC(=O)N3CCCCC3)=C2C#N)cc1 6441033 VTMBWQSQJRGLRF-INIZCTEOSA-N 413.499 2.558 50 40 HFGB CCCCOc1cccc(N2/C(=N/C(=O)CCl)S[C@@H]3CS(=O)(=O)C[C@H]32)c1 8993530 ISOSEWUIBMDVLQ-NHWLHPCLSA-N 416.952 2.706 50 40 HFGB COc1ccc(CCNC(=O)CC(=O)N/N=C/c2ccccc2Cl)cc1OC 59515322 NQYSPZFSBVZVGG-YDZHTSKRSA-N 403.866 2.556 50 40 HFGB O=C(O)COc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1Br 408750280 ZDMZRWHLULWUIB-QGMBQPNBSA-N 422.191 2.585 50 40 HFGB Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1ccc(N(C)C)cc1)S(C)(=O)=O 408787115 RRZVSDVWIAMTMU-CIAFOILYSA-N 422.938 2.631 50 40 HFGB C/C(CC(=O)NC1C2CC3CC(C2)CC1C3)=N\NC(=O)C(=O)Nc1ccc(C)cc1 4691167 FZYIYSJVXHYAQG-VULFUBBASA-N 410.518 2.757 50 40 HFGB CCCCN1C(=O)/C(=N/NC(=O)COc2ccc(C)cc2[N+](=O)[O-])c2ccccc21 5737836 LRTFPXPALXUPIV-BSYVCWPDSA-N 410.430 2.949 50 40 HFGB Cc1cc(C(=O)NNC(=O)CNC(=O)c2ccc(Oc3ccccc3)cc2)c(C)o1 6561411 ACYAAUSYFITSLK-UHFFFAOYSA-N 407.426 2.880 50 40 HFGB Cc1ccc(C(=O)NCC(=O)NNC(=O)COc2ccccc2-c2ccccc2)s1 13137881 HJWNCYTVNUHFQE-UHFFFAOYSA-N 423.494 2.680 50 40 HFGB COc1ccc(N([C@@H](C)C(=O)N/N=C(\C)c2ccc(F)cc2)S(C)(=O)=O)cc1 20214881 VQPKFIJIYDCZAZ-HADWXUJASA-N 407.467 2.529 50 40 HFGB O=C(Cc1nnc(NC(=O)CCl)s1)N/N=C/c1ccc(Cl)cc1Cl 408731139 KSMLXMHUIVOVAZ-UBKPWBPPSA-N 406.682 2.715 50 40 HFGB O=C(N/N=C/c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccco1 408755420 LEWPCIYANTUACG-XDHOZWIPSA-N 415.383 2.719 50 40 HFGB CC(C)CCOc1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NN)cc1 2418660 GKJKMFPHNOAOOB-NRFANRHFSA-N 408.502 2.924 50 40 HFGB CN1C(=O)/C(=N\NC(=O)c2cc(C(C)(C)C)n[nH]2)c2cc(Br)ccc21 5460479 QWMPOWYHDSSPRD-STZFKDTASA-N 404.268 2.580 50 40 HFGB CN(CC(=O)N/N=C/c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(F)cc1 16186838 GTLUZSNWQMSHLP-AWQFTUOYSA-N 418.277 2.903 50 40 HFGB O=C(COc1ccc(/C=N/NC(=O)c2cccnc2)cc1)NCCc1ccccc1 408772790 IBJMULSHKVYKCM-CVKSISIWSA-N 402.454 2.583 50 40 HFGB COc1ccc2cnnc(SCC(=O)NNC(=O)c3ccccc3C)c2c1OC 2256494 KNICJCLDNZGPJO-UHFFFAOYSA-N 412.471 2.509 50 40 HFGB Cc1sc2nc(C(C)C)n3c(SCC(=O)NNC(=O)C(C)C)nnc3c2c1C 4848147 VMNLBHQYHXUAHV-UHFFFAOYSA-N 420.564 2.975 50 40 HFGB CC(=O)O[C@H]1[C@@H]2C[C@@H]([C@@H]1I)C(C(F)(F)F)(C(F)(F)F)N2 100145481 JXLRNTAERRAQNU-AXMZGBSTSA-N 417.087 2.577 50 40 HFGB O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)N[C@H]1CS(=O)(=O)C[C@H]1Cl 575424792 NIWHXGFHKGMKQV-PWSUYJOCSA-N 406.316 2.989 50 40 HFGB Cn1cccc1/C=N/NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1 2372587 JTAKHCJRKQIRSS-OEAKJJBVSA-N 417.494 2.967 50 40 HFGB O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N/N=C/c1cccc([N+](=O)[O-])c1 6058113 XTLVBUQNVFGXCX-LPYMAVHISA-N 415.881 2.516 50 40 HFGB COC(=O)COc1cccc(/C=N/NC(=O)Cc2ccc(Br)cc2)c1 9204377 HSKHYRGCJCKHCL-RGVLZGJSSA-N 405.248 2.694 50 40 HFGB Cc1cc(C)c(NCC(=O)NNC(=O)C[C@@](O)(c2ccco2)C(F)(F)F)c(C)c1 12554468 LHQQXPFBCVKGGH-GOSISDBHSA-N 413.396 2.604 50 40 HFGB O=C(N/N=C\c1cc([N+](=O)[O-])cc(Br)c1O)c1ccc2c(c1)OCO2 32138794 YYHSNEGSSBLNLA-FMQZQXMHSA-N 408.164 2.556 50 40 HFGB Cc1ccc(C)c(-n2c(C)cc(/C=N/NC(=O)C(=O)NCc3cccnc3)c2C)c1 58912357 OGSVLEJYYYPRLR-VULFUBBASA-N 403.486 2.872 50 40 HFGB CCOC(=O)C1=C(C)NC(=C(C#N)C#N)C(C#N)=C1c1cc(OC)c(OC)c(OC)c1 100257292 QTKWOGFCFJPSSV-UHFFFAOYSA-N 420.425 2.731 50 40 HFGB O=C(NNc1nc(N2CCCC2)nc(N2CCCC2)n1)Nc1ccc(Cl)cc1 109252926 SCLSLVURQZIDKG-UHFFFAOYSA-N 402.890 2.874 50 40 HFGB O=C(N/N=C/c1ccccc1F)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 408969628 QZOZXOQYOUTNPK-LPYMAVHISA-N 407.442 2.516 50 40 HFGB COc1cccc(/C=N\NC(=O)COc2cccc(Cl)c2)c1O[C@@H](C)C(=O)O 409255790 ZQKRDJQWEIINRR-INEXWVMZSA-N 406.822 2.730 50 40 HFGB O=C(CSc1nnnn1-c1ccccc1)N/N=C/c1c(O)ccc2ccccc12 1500935 JLOUOONKXDBKET-CIAFOILYSA-N 404.455 2.764 50 40 HFGB Cc1cc(C)n(Cc2cccc(C(=O)NNC(=O)c3ccc([N+](=O)[O-])c(C)c3)c2)n1 4592223 BBCISPGXVFYMGS-UHFFFAOYSA-N 407.430 2.840 50 40 HFGB CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cc(OC)ccc3F)[C@@H]2C1 6194977 MEGWETPXOPIUCM-MJGOQNOKSA-N 421.432 2.716 50 40 HFGB O=C(CCl)Nc1nnc(SSc2nnc(NC(=O)CCl)s2)s1 105449179 RZJRSYCGCLYCNV-UHFFFAOYSA-N 417.350 2.544 50 40 HFGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1cccc(I)c1 408726239 MJNZQICJWKDJIY-LICLKQGHSA-N 409.183 2.892 50 40 HFGB N#C/C(=C\c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1)C(=O)NC1CCCCC1 832456 ODRITFSRQKRTOE-DILWRCETSA-N 411.502 2.716 50 40 HFGB C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)c1ccc2[nH]cnc2c1 12506512 WNGABGDUIOHMEK-JTQLQIEISA-N 403.236 2.554 50 40 HFGB Cc1cc(C(=O)N/N=C/c2cc(O)c(Br)cc2Br)[nH]n1 18240595 ANEACCRKCMAAPK-PJQLUOCWSA-N 402.046 2.713 50 40 HFGB O=C(COC(=O)[C@H]1[C@H]2C(=O)O[C@H]3[C@@H]2C[C@H]1[C@H]3Br)c1ccc(Cl)cc1 102634992 FAIPMBWJCYMTIR-DKJTXKKOSA-N 413.651 2.637 50 40 HFGB C=C1C(=O)O[C@@H]2C=C(COC(C)=O)CCC=C(C=O)C[C@@H](OC(=O)CC(C)C)[C@@H]12 958318594 SLDSEAYVUCFJOD-SFHLNBCPSA-N 404.459 2.841 50 40 HFGB biogenic,in-vitro COc1ccc(C(=O)NNC(=O)CN2CC=C(c3c[nH]c4ccccc34)CC2)cc1 89438735 PVTRJHRPCADFMN-UHFFFAOYSA-N 404.470 2.727 50 40 HFGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc([N+](=O)[O-])cc1Br 408589586 LZHRDUCXPCPVPF-RQZCQDPDSA-N 407.180 2.958 50 40 HFGB O=C(N/N=C/c1ccccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccco1 408758910 UPOHKDBGRQHHAO-XDHOZWIPSA-N 415.383 2.719 50 40 HFGB CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(Cl)cc3[N+](=O)[O-])[C@H]2C1 5690492 UESUBFIIKWYOTQ-WMZOPIPTSA-N 408.849 2.993 50 40 HFGB C=CCOc1cccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)c1 16187062 JDCIDCSLRVXPSE-FYJGNVAPSA-N 421.906 2.676 50 40 HFGB CCOc1ccccc1/C=N\NC(=O)c1nn(-c2ccccc2)c(=O)c(C#N)c1C 409056462 GPGGVISHZJNQDW-OYKKKHCWSA-N 401.426 2.575 50 40 HFGB CCOc1ccc(/C(C)=N/NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)cc1 409116316 JYDRBJZZSYRDML-KGENOOAVSA-N 407.467 2.531 50 40 HFGB O=C(CNC(=O)C(c1ccccc1)c1ccccc1)N/N=C/c1ccc(C(=O)O)cc1 1922336 WSJGHNBDKOZPLO-CVKSISIWSA-N 415.449 2.783 50 40 HFGB Cc1ccc(CNC(=O)CCC(=O)NNC(=O)c2cc3cc(Cl)ccc3[nH]2)o1 4700730 KMXKOYAVCNSRAF-UHFFFAOYSA-N 402.838 2.580 50 40 HFGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1C(C)C)c1ccc(Cl)cc1Cl 9457526 JVIGCRFTPFFFPF-DNTJNYDQSA-N 423.264 2.817 50 40 HFGB CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C\c2ccccc2Br)cc1 223155971 SZBMSKYYRJPBJV-JAIQZWGSSA-N 418.247 2.715 50 40 HFGB COc1cc(/C=C/C(=O)NN)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 226337302 FJEVXFCIUCHZSE-QPJJXVBHSA-N 422.235 2.948 50 40 HFGB CCOc1ccc(/C=N\NC(=O)c2nn(-c3ccc(C)cc3)c(=O)c(C#N)c2C)cc1 409055280 KRDKOOOCGJGTKN-QFEZKATASA-N 415.453 2.884 50 40 HFGB O=C(CN1C[C@@H](c2ccccc2)CC1=O)N/N=C/c1cc(Br)ccc1O 6242129 LSBJKQQJFCXWKZ-LKKXKRCMSA-N 416.275 2.621 50 40 HFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccco1)c1cc(C(F)(F)F)ccc1Cl 12285437 FCFMMMFMZUYJKU-DNTJNYDQSA-N 423.800 2.868 50 40 HFGB CC(C)[C@H](NC(=O)c1ccc(Br)cc1)C(=O)NNC(=O)c1ccccc1 12754721 ZJXJCQSIEZCQRP-INIZCTEOSA-N 418.291 2.665 50 40 HFGB COc1ccc(OCC(=O)N/N=C/c2ccc(OCC(=O)OC(C)(C)C)cc2)cc1 408857632 LIWOSRXOKUYJFF-YDZHTSKRSA-N 414.458 2.945 50 40 HFGB Cn1c(=O)n(C)c2cc(/C=C(\C#N)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)ccc21 408891757 UUJXLWXGYZVUMZ-KPKJPENVSA-N 411.805 2.984 50 40 HFGB CN(C)/C=C(\C#N)[C@@](O)(NNc1ncc(C(F)(F)F)cc1Cl)C(F)(F)F 3048544 CNQXNNYQXLPEGM-IOCXFXADSA-N 403.714 2.890 50 40 HFGB O=C(NNC(=NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1)c1ccncc1 6101599 XGDRJUWQMNGKMB-UHFFFAOYSA-N 414.874 2.805 50 40 HFGB COc1cc(OC)c(/C=N/NC(=O)Cn2cnc3ccccc32)cc1Br 8781264 IERPHUSPXAYVDS-ZVBGSRNCSA-N 417.263 2.966 50 40 HFGB CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccccc3OCC)[C@@H]2C1 20000166 ZNFNTFBRASLXIW-QUCCMNQESA-N 417.469 2.967 50 40 HFGB CN1CCN(c2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccc(Cl)cc2)CC1 32109574 JVEBKGMLBOCCBV-BKUYFWCQSA-N 401.854 2.764 50 40 HFGB COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)c2cccc(Cn3nc(C)cc3C)c2)c1O 38162038 RWHOTPDJLRHPCA-SSDVNMTOSA-N 423.429 2.935 50 40 HFGB CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)OC)N=C(O)[C@@H]2C(=O)OC)cc1 2310595 NXIQDFDPUBDKJH-HZPDHXFCSA-N 404.444 2.570 50 40 HFGB Cc1ccc(S(=O)(=O)N[C@]2(C(Cl)Cl)N=C(c3ccccc3)NC2=N)cc1 6404591 HOSNTHZVMFQXHS-KRWDZBQOSA-N 411.314 2.801 50 40 HFGB O=C(N/N=C/c1ccccc1Cl)C1CCN(S(=O)(=O)c2ccccc2)CC1 6890148 RMTCGGABFMXADF-KGENOOAVSA-N 405.907 2.891 50 40 HFGB C/C(=N\NC(=O)[C@@H]1COc2ccccc2O1)c1cccc(I)c1 20247055 TTYDMNPGHBTTOU-ZVCOJXFSSA-N 422.222 2.971 50 40 HFGB CCCc1cc(C(=O)OCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)sc1C 12175550 JCFRHOIGOMJCSS-UHFFFAOYSA-N 405.432 2.535 50 40 HFGB Cc1ccc(OCC(=O)N/N=C\c2c(C)nn(-c3ccccc3)c2O)c([N+](=O)[O-])c1 18137063 KBLNWKFMTSVPSE-NHDPSOOVSA-N 409.402 2.632 50 40 HFGB O=C(NNC(=O)[C@H](NC(=O)c1cccs1)c1ccccc1)c1cccc([N+](=O)[O-])c1 40051281 PXPZRIUHLXYLJW-QGZVFWFLSA-N 424.438 2.589 50 40 HFGB Cc1cc(/C=N/NC(=O)C(=O)NCc2cccnc2)c(C)n1-c1ccc(Cl)cc1 59566565 NAYZFEJWUZDTMC-DHRITJCHSA-N 409.877 2.909 50 40 HFGB COc1ccc(SCC(=O)N/N=C\c2ccc(N3CCOCC3)c(F)c2)cc1 409137259 WFKNKAKEBQMTDD-XKZIYDEJSA-N 403.479 2.913 50 40 HFGB C/C(Cn1nc([N+](=O)[O-])cc1C)=N\NC(=O)COc1ccc(Cl)cc1Cl 994216 ICWZERLCJBCQSA-GIJQJNRQSA-N 400.222 2.978 50 40 HFGB O=C(SCCSSCCSC(=O)N1CCOCC1)N1CCOCC1 4428937 NALZYOZGPPMCRB-UHFFFAOYSA-N 412.624 2.739 50 40 HFGB CSc1ccc([C@@H]2CC(=O)NC(SCC(=O)NC[C@@H]3CCCO3)=C2C#N)cc1 6454106 MFUNWOXJYTUXRU-HOCLYGCPSA-N 417.556 2.776 50 40 HFGB COc1cc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)cc(Br)c1OC 13899061 IYOKCFSJSJKJHS-FCASDWRQSA-N 421.247 2.756 50 40 HFGB COC(=O)c1ccc(/C=N/NC(=O)C2CCN(C(=O)c3ccccc3C)CC2)cc1 409007406 WGCDNMGBGXPJOI-BUVRLJJBSA-N 407.470 2.784 50 40 HFGB Cc1cc(C(=O)NNC(=O)CNC(=O)c2sc3ccccc3c2Cl)c(C)o1 7780359 YLHAGLJHVCIOJX-UHFFFAOYSA-N 405.863 2.956 50 40 HFGB Cc1cccc(OCC(=O)N/N=C2\C(=O)Nc3ccc(C)c(Br)c32)c1 18270853 FUSPELNUZQACOB-UHFFFAOYSA-N 402.248 2.917 50 40 HFGB COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccc(C)c(C)c1C)S(C)(=O)=O 20212360 SXLDMJCICUAINO-WSDLNYQXSA-N 417.531 2.845 50 40 HFGB CCOc1cc(/C=N/NC(N)=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 58823351 WTJGBMFUPUQONP-KEBDBYFISA-N 411.867 2.817 50 40 HFGB Cc1ccccc1N1C[C@H](C(=O)NNC(=O)c2ccc(Br)cc2)CC1=O 408638997 DSLCIPHHPISEGD-CQSZACIVSA-N 416.275 2.572 50 40 HFGB CCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C2\C(O)=Nc3c(C)cccc32)c1 3574064 QSBGVHNXEORNJT-UHFFFAOYSA-N 414.487 2.761 50 40 HFGB O=[N+]([O-])c1ccc(S(=O)(=O)C[C@@H](Cl)CS(=O)(=O)Cc2ccccc2)cc1 9892575 YUZIZZUWBVDGEK-AWEZNQCLSA-N 417.892 2.591 50 40 HFGB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)CN2CCOCC2)cc1 22633592 HBDMHWRBYQWCHU-BUVRLJJBSA-N 403.486 2.630 50 40 HFGB CCn1c(NNC(=O)CCc2c(C)nc(SC)nc2C)nc2ccccc2c1=O 32882299 OYJQRCZHAZONBS-UHFFFAOYSA-N 412.519 2.621 50 40 HFGB C=CCc1cc(/C=N\NC(=O)CN2CCOCC2)ccc1OCc1ccc(F)cc1 59247102 HRUITBKQDGLFDY-MYYYXRDXSA-N 411.477 2.916 50 40 HFGB COCCO[C@H](C)C(=O)NNC(=O)Nc1ccccc1N(C)Cc1ccccc1 95467093 ZQEBVJUPGOFZLC-MRXNPFEDSA-N 400.479 2.527 50 40 HFGB COc1cccc(/C=N/NC(=O)C(=O)NC(C)C)c1OCc1ccccc1Cl 408607988 GIWZNBOLKPBVPP-SSDVNMTOSA-N 403.866 2.902 50 40 HFGB Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c2ccc(F)cc2)cc1 408752568 BSUHUDJWTCYSEB-MEGCXXLRSA-N 405.495 2.977 50 40 HFGB COc1cc(C(=O)NNC(=O)c2ccc(OC(F)(F)F)cc2)cc(OC)c1OC 2658036 KSHOQABWPDXNCO-UHFFFAOYSA-N 414.336 2.686 50 40 HFGB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)[C@H]1CCCC[C@H]1C(=O)O 4673023 JAUAZQISBASICJ-ZMLRMANQSA-N 403.262 2.799 50 40 HFGB CC(C)(C)c1ccc2c(c1)O[C@H](C(=O)N/N=C1/C(=O)Nc3ccc([N+](=O)[O-])cc31)CO2 9369695 QWXUODLHWDJALS-KRWDZBQOSA-N 424.413 2.505 50 40 HFGB COc1ccc(/C(C)=N/NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 19954273 SMMQMUQBDKCKHV-DEDYPNTBSA-N 409.895 2.655 50 40 HFGB CCc1sc(C(=O)NNC(=O)CCNC(=O)c2ccc(F)cc2Cl)cc1C 40144590 LWHZBHBGFBNQMJ-UHFFFAOYSA-N 411.886 2.993 50 40 HFGB CCOc1ccccc1/C=N\NC(=O)c1nn(-c2ccc(F)cc2)c(=O)c(C#N)c1C 409054725 NNEYEEVOMRQWDA-MXAYSNPKSA-N 419.416 2.714 50 40 HFGB O=C(NNC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccco1)c1ccc(Cl)cc1 2639765 VBWCLNFQKCQQIO-GOSISDBHSA-N 423.856 2.961 50 40 HFGB COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(C)n(C[C@H]4CCCO4)c(=O)c32)c1 5055135 KAURVYCJBLSHTP-FOIQADDNSA-N 423.469 2.571 50 40 HFGB Cc1cc(C)n(-c2ccc(C(=O)NNC(=O)c3cncn3-c3ccc(F)cc3)cc2)n1 6510750 KODRHQKXGPRCNL-UHFFFAOYSA-N 418.432 2.889 50 40 HFGB Cc1ccc(O[C@@H](C)C(=O)NNC(=O)c2ccccc2I)cc1 12292635 SUCFXCGBJTWJSV-LBPRGKRZSA-N 424.238 2.828 50 40 HFGB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(SC#N)c1O 409047124 NGFUFTXUBGCZQC-MLPAPPSSSA-N 413.386 2.779 50 40 HFGB CC1=C(C(=O)OCc2ccccc2)[C@@]2(C(=O)N(C)c3ccccc32)C(C#N)=C(N)O1 989169 YOHLMEMRIALXFO-QHCPKHFHSA-N 401.422 2.642 50 40 HFGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2cccc3ccccc23)c1-c1ccccc1 2360658 DOTBYDORXAVDAI-ZMOGYAJESA-N 424.424 2.817 50 40 HFGB O=C(NCc1ccccc1)[C@H]1CC=CC[C@@H]1C(=O)NNc1ncnc2ccccc12 7989035 ICEUPMXJFYIHGF-ROUUACIJSA-N 401.470 2.972 50 40 HFGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2c(C)cccc2C)c1 409266481 ZFIREUYJKVXCNW-ZRWQFTNJSA-N 424.501 2.686 50 40 HFGB CCN(CC)c1ccc2cc(C(=N)NNC(=O)c3ccc([N+](=O)[O-])cc3)c(=O)oc2c1 1500095 AKASJXYPVMXHTB-UHFFFAOYSA-N 423.429 2.807 50 40 HFGB biogenic C[C@H](Oc1ccccc1F)C(=O)NNC(=O)COc1cccc(Br)c1 6277764 HZLBPYSNSVNTNX-NSHDSACASA-N 411.227 2.582 50 40 HFGB CCOc1ccc(N2C[C@@H](C(=O)NNC(=O)c3ccc(Cl)cc3)CC2=O)cc1 6430892 LGULBIBXFYXDGE-AWEZNQCLSA-N 401.850 2.553 50 40 HFGB COC(=O)c1cc(OC)c(OC)cc1N/C=C(/C#N)S(=O)(=O)c1ccccc1 18090195 UKIRXHUTEFKXMJ-OWBHPGMISA-N 402.428 2.741 50 40 HFGB Cc1cccnc1N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 100567692 ZKYAEZPVIQTARD-IQMQYZSSSA-N 414.097 2.672 50 40 HFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1O)c1cccc(Cl)c1Cl 408909736 HYAPOXDJSCAKEL-DJKKODMXSA-N 416.286 2.615 50 40 HFGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(OCC#N)c(OC)c1)c1ccccc1 409000760 FTYYQIILYOVIHK-LSPPGFKNSA-N 424.457 2.925 50 40 HFGB COc1ccc(Cl)cc1C(=O)NN[C@H]1CC(=O)N(c2cccc(Cl)c2)C1=O 3346332 WVJVCMOXWINHGX-AWEZNQCLSA-N 408.241 2.569 50 40 HFGB CCOc1ccc(N([C@@H](C)C(=O)N/N=C/c2sccc2C)S(C)(=O)=O)cc1 4603252 GYDQRYUZGJYATF-BXUJETTOSA-N 409.533 2.760 50 40 HFGB O=C(COC(=O)/C=C/c1cccs1)NNC(=O)c1ccccc1Br 6881755 IYKRCFKVPUSWQY-BQYQJAHWSA-N 409.261 2.528 50 40 HFGB COc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1cc(C)ccc1OC 59433990 CSONEPWKKSQOQR-KEBDBYFISA-N 420.263 2.864 50 40 HFGB COC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2ccccc2OC)cc1OC 409367472 AUSLIFLWIUXDTO-UFFVCSGVSA-N 406.822 2.673 50 40 HFGB Cc1nn(CCC(=O)NNC(=S)Nc2ccc(F)c(Cl)c2)c(C)c1[N+](=O)[O-] 653372 KKMRZWFPLZLLGR-UHFFFAOYSA-N 414.850 2.609 50 40 HFGB CCOC(=O)COc1ccc(/C=N/NC(=O)c2ccc(OCC)cc2)cc1OC 20764642 FBDRTBFLVIMEAI-LPYMAVHISA-N 400.431 2.800 50 40 HFGB COCCOC(=O)/C(C#N)=C/c1cc(C)n(-c2cc(C(=O)O)cc(C(=O)O)c2)c1C 408949877 SLFQDZRZHCAFDR-REZTVBANSA-N 412.398 2.587 50 40 HFGB COc1ccc(S(=O)(=O)N(CC(=O)NN=C(C)C)c2ccc(C)cc2)cc1OC 19955648 NQEGVDSMVKODGZ-UHFFFAOYSA-N 419.503 2.720 50 40 HFGB CCOc1cc(/C=N/NC(=O)Cc2cccs2)ccc1OCCN1CCOCC1 20175928 QNTDDRPLHJBGHR-CJLVFECKSA-N 417.531 2.551 50 40 HFGB COc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)NCc3ccco3)cc2)cc1 58883134 SJMQXTIRPHHHMB-CFRMEGHHSA-N 407.426 2.747 50 40 HFGB CN1CCN(c2ccc([N+](=O)[O-])cc2/C=N/NC(=O)c2cccc(Cl)c2)CC1 409006985 LZMPYAGJKKKNEP-FYJGNVAPSA-N 401.854 2.764 50 40 HFGB COc1cc(OC)c([N+](=O)[O-])cc1/C=N\NC(=O)COc1cccc2cccnc12 409014717 INZWAKPYOGGNLP-JJFYIABZSA-N 410.386 2.689 50 40 HFGB CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N/N=C/c1ccccc1O 6761766 RTXCGPJSTYBRLH-XNQWGTPPSA-N 413.474 2.952 50 40 HFGB Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)N3CCOCC3)cc2)cc1 9234290 KITIUWNUOOQPBF-XMHGGMMESA-N 405.454 2.778 50 40 HFGB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NNC(=O)c3ccco3)c2)cc1F 9546247 JSCWQYLBEAUIAF-UHFFFAOYSA-N 417.418 2.603 50 40 HFGB COc1ccc(Cl)cc1C(=O)NN[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1=O 95351891 WVJVCMOXWINHGX-CQSZACIVSA-N 408.241 2.569 50 40 HFGB CC(=O)c1ccc(S(=O)(=O)NNC(=O)c2sc(-c3ccccc3)nc2C)cc1 7387389 RNGZECPNHGJEAL-UHFFFAOYSA-N 415.496 2.944 50 40 HFGB CN1/C(=C(/C#N)C(=O)COC(=O)CNC(=O)C2CCCCC2)Sc2ccccc21 12693425 ZYUUJKWKXVZXPP-RCCKNPSSSA-N 413.499 2.772 50 40 HFGB CCOc1cc(C(=O)NNC(=O)c2ccccc2O)ccc1OCc1ccncc1 32795780 FKPUMAQUCZHVII-UHFFFAOYSA-N 407.426 2.840 50 40 HFGB C/C(=N\NC(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O)c1ccccc1O 408786196 GSBBNNBYFUMCBD-RCCKNPSSSA-N 403.504 2.822 50 40 HFGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Cl)c(O)c(OCC)c1 409256862 QJGVPELPJHZMPM-SRZZPIQSSA-N 405.838 2.932 50 40 HFGB Cc1ccc(OCC(=O)N/N=C2\C(=O)N(C)c3ccccc32)c(Br)c1 18212992 OEWZGJTXCAUKMQ-FXBPSFAMSA-N 402.248 2.633 50 40 HFGB COc1ccc2oc(=O)c(C(=O)NNC(=O)c3ccc(Br)cc3)cc2c1 712897 LONNCUSFQWJCSH-UHFFFAOYSA-N 417.215 2.639 50 40 HFGB COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(OC)c1O 1083311 AAMQJIKEJAOTAF-BUVRLJJBSA-N 406.438 2.796 50 40 HFGB N#CCCN(C(=O)COC(=O)/C(C#N)=C/c1ccc2c(c1)OCO2)c1ccccc1 3255786 BPIXEHLADPNBFC-GZTJUZNOSA-N 403.394 2.812 50 40 HFGB CCc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NCCOC)cc1 4205429 SEDYXJOWRMJXIZ-SAPNQHFASA-N 418.453 2.719 50 40 HFGB CCCc1cc2c(=O)n([C@@H](C)C(=O)N/N=C(\C)c3cn(C)nc3C)cnc2s1 6462343 RLZYIIJJASKTEN-PUFAJPFRSA-N 400.508 2.554 50 40 HFGB O=C(Cc1csc(-c2ccc(F)cc2)n1)NNS(=O)(=O)c1cccc(F)c1 7727766 VOQYLCCQHLXTEV-UHFFFAOYSA-N 409.439 2.641 50 40 HFGB COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(/C)NNC(=O)C2CC2)cc1 9531622 ZXYVSJCGJOZNMP-ZHZULCJRSA-N 420.469 2.760 50 40 HFGB O=C(N/N=C\c1cccc(I)c1)c1cc([N+](=O)[O-])ccc1O 408880783 INPXKRKBAIDNGX-PXNMLYILSA-N 411.155 2.669 50 40 HFGB CCCCOc1ccc(/C=N/NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)cc1 409126494 BJJFWOWELOYROH-HYARGMPZSA-N 421.494 2.921 50 40 HFGB CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2sccc2C)sc2c1CCC2 2407509 ZBQYEEBSLUXQFL-DJKKODMXSA-N 405.501 2.872 50 40 HFGB N#Cc1ccc(-c2ccc(OCC(=O)NNC(=O)c3ccc4c(c3)OCO4)cc2)cc1 3262475 WKVWNGVHWIPJIG-UHFFFAOYSA-N 415.405 2.794 50 40 HFGB CCc1cc2c(=O)n(CC(=O)C(C#N)=C3N(C)c4ccccc4N3C)cnc2s1 12540058 JTLSUGIQYOMBKQ-UHFFFAOYSA-N 405.483 2.911 50 40 HFGB CCC(=O)NNC(=O)CCN1C(=O)c2ccccc2[C@H]1c1c(C)[nH]c2ccccc12 13955591 XQMVZLKUZZKBMG-QFIPXVFZSA-N 404.470 2.969 50 40 HFGB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=N/NC(=O)COc1ccc2ccccc2n1 408741068 NRVBBHCIKAUPMM-XNQWGTPPSA-N 401.426 2.755 50 40 HFGB Cc1ccccc1NC(=O)COc1ccc(/C=C(/C#N)C(=O)N2CCOCC2)cc1 409008573 YBLBREBLODNKPZ-RGEXLXHISA-N 405.454 2.778 50 40 HFGB CC(C)n1nc(C(=O)NNC(=O)[C@@H]2CCCc3ccccc32)c2ccccc2c1=O 12920266 GCYSSSFTEYDLCN-GOSISDBHSA-N 404.470 2.859 50 40 HFGB N#C/C(=C/c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1)S(=O)(=O)c1ccccc1 19898780 YGVBWKNBFFDMHX-PDGQHHTCSA-N 414.464 2.932 50 40 HFGB Cc1c(C(=O)NNC(=O)N[C@H](CN2CCOCC2)c2ccccc2)oc2ccccc12 32809197 RDIMTAQOVOUDLS-LJQANCHMSA-N 422.485 2.759 50 40 HFGB CCOc1ccc(/C(C)=N/NC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)cc1 408906919 FDVNNSRVQKASOZ-GXPOEHQZSA-N 403.504 2.780 50 40 HFGB O=C(CCl)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)c(Cl)c1 101314543 HKFQTOILZGTBOC-HKLAFJFVSA-N 413.735 2.834 50 40 HFGB COC(=O)Cc1[nH]nc2c1[C@H](c1cncc(-c3ccc(F)cc3)c1)C(C#N)=C(N)O2 1423956 NGYBSLOBOJNTJM-GOSISDBHSA-N 405.389 2.544 50 40 HFGB COC(=O)c1csc(-n2nc(-c3ccc(OC)cc3)cc2NC(=O)CCl)n1 5243766 UIRVFAJBGZFFAR-UHFFFAOYSA-N 406.851 2.968 50 40 HFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccco1)c1ccc(Oc2ccccc2)cc1 3664402 RQKNWLAYCBEOCB-KGENOOAVSA-N 413.455 2.988 50 40 HFGB Cc1ccccc1C(=O)NNC(=O)c1cn(C)nc1-c1ccc2c(c1)OCCCO2 15021617 IBBZVQHWHWWZMX-UHFFFAOYSA-N 406.442 2.632 50 40 HFGB CSc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 16186984 IIQSLJZMEOAREX-YBFXNURJSA-N 411.936 2.833 50 40 HFGB C/C(=N\NC(=O)c1cccnc1)c1ccc(/C(C)=N/NC(=O)c2cccnc2)cc1 4671699 LWHLXTGQYYDJHM-RYQLWAFASA-N 400.442 2.785 50 40 HFGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OCCN1CCOCC1 15933946 SMEUZDLOVBGCTG-XDJHFCHBSA-N 407.470 2.952 50 40 HFGB CSc1ccc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)cc1 20208373 FGCRTVQZCYOJQY-UDWIEESQSA-N 405.545 2.942 50 40 HFGB COCCCNC(=O)CC(=O)N/N=C\c1cc(C)n(-c2cccc(Cl)c2)c1C 58914043 MHJVJKGGHFOVIL-QRVIBDJDSA-N 404.898 2.740 50 40 HFGB COc1cc(/C=N/NC(=O)COc2ccc(Br)cc2)ccc1OCC#N 108083334 TURPXCWMSHDUKV-SRZZPIQSSA-N 418.247 2.889 50 40 HFGB C[C@]12Sc3[nH]c(=O)sc3[C@H](c3ccc(O)cc3)[C@@H]1[C@H]1C[C@H]2[C@@H]2C(=O)OC(=O)[C@@H]12 245228633 ADHPPXRKHNHSEK-BKYYBWESSA-N 415.492 2.720 50 40 HFGB Cc1ccc(NC(=O)C(=O)N/N=C/c2cccc(I)c2)c(C)c1 3148409 FVRUXODHEISPMU-VXLYETTFSA-N 421.238 2.997 50 40 HFGB CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)c1C 4340716 AGNUGVZERIHEKB-UHFFFAOYSA-N 408.414 2.807 50 40 HFGB C#CCOc1ccc(/C=N/NC(=O)[C@@H](NC(=O)c2ccc(C)cc2)C(C)C)cc1OC 4679193 GDILPWCUFIPJDD-IBUSPFOHSA-N 421.497 2.920 50 40 HFGB CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\NC(=O)Nc1ccc(Br)c(C)c1 6188966 SNQFVHISFUCBOB-JYRVWZFOSA-N 403.236 2.602 50 40 HFGB Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)NNC(=O)c1ccc2c(c1)OCO2 12983674 DDSWVXLDCURRHK-UHFFFAOYSA-N 404.488 2.953 50 40 HFGB C=CCN1C(=O)/C(=C\c2ccc(N(C)C)cc2)S/C1=N/NC(=O)c1ccncc1 6243966 ONXKBLDAOUQVJI-WVVASFLCSA-N 407.499 2.951 50 40 HFGB COc1ccc(Cl)cc1C(=O)NNC(=O)C[C@@](O)(c1ccccc1)C(F)(F)F 14241768 VDEWSHITMQMYSZ-QGZVFWFLSA-N 416.783 2.950 50 40 HFGB COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)ccc1OCC(=O)O 15945152 LUEWALSIFFFLKH-AWQFTUOYSA-N 413.342 2.577 50 40 HFGB O=C(CCn1nnc2ccccc2c1=O)NN(Cc1ccccc1)Cc1ccccc1 32842910 TXZQUMKOGOBFTH-UHFFFAOYSA-N 413.481 2.915 50 40 HFGB CN(C)N(C(=O)CCCOc1ccc(Cl)cc1Cl)[C@@H]1CCS(=O)(=O)C1 58117546 QNJGXKFFALTDOA-CYBMUJFWSA-N 409.335 2.645 50 40 HFGB Cc1ccccc1N1C(=O)NC(=O)[C@H](/C=N/NC(=O)c2cccc3ccccc23)C1=O 408533539 KAHAYDHITUSAPB-VQXFCIMOSA-N 414.421 2.763 50 40 HFGB COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2[N+](=O)[O-])cc(OC)c1OC 881145 VFNLDYOSMUPDMF-AWQFTUOYSA-N 423.809 2.803 50 40 HFGB CC(=O)Nc1ccc(C(=O)NNC(=O)COc2ccc(C)cc2Br)cc1 12583531 XTOCGKCRRQEKLI-UHFFFAOYSA-N 420.263 2.556 50 40 HFGB CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)NNC(=O)c1cc2c(s1)CCCC2 12883405 OTAOYDJLJUYOJV-SFHVURJKSA-N 417.506 2.982 50 40 HFGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(Cl)cc2)S(C)(=O)=O)cc1 19954902 MUEALNMFSAZTFB-UDWIEESQSA-N 409.895 2.655 50 40 HFGB O=C(N/N=C\c1cn(CC(=O)N2CCOCC2)c2ccccc12)c1cccc(Cl)c1 30809144 NUNSCXMKJDITDW-CFRMEGHHSA-N 424.888 2.917 50 40 HFGB CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)NNC(=O)c1cc2c(s1)CCCC2 12883399 OTAOYDJLJUYOJV-GOSISDBHSA-N 417.506 2.982 50 40 HFGB COC(=O)[C@@]12[C@H]3[C@@H]4CC[C@H]5OC(=O)[C@]16[C@@H]1[C@H]([C@H]3[C@H]6[C@H]45)[C@@H]2[C@H]2[C@@H](Br)CC[C@@H]21 104287292 RLBISQVPNQCBJV-RIJQRHPZSA-N 419.315 2.639 50 40 HFGB O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1ccc([N+](=O)[O-])cc1Br 408588317 JAGVQJWRCKCWIS-QGMBQPNBSA-N 406.192 2.779 50 40 HFGB COC(=O)COc1ccc(Br)cc1/C=C(/C#N)C(=O)NC1CCCC1 409188940 KVLZADOHXVWENQ-JYRVWZFOSA-N 407.264 2.967 50 40 HFGB C=C1C(=O)O[C@@H]2/C=C(\COC(C)=O)CC/C=C(\C=O)C[C@H](OC(=O)CC(C)C)[C@@H]12 100064107 SLDSEAYVUCFJOD-WSEDPSOVSA-N 404.459 2.841 50 40 HFGB biogenic,in-vitro Cc1cc(C)nc(SCC(=O)N/N=C/c2cc3c(cc2Br)OCO3)n1 408861376 REECPUDYSOBCCS-NGYBGAFCSA-N 423.292 2.827 50 40 HFGB Cc1ccc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 2629093 MPBQMTZPYZIWAA-UHFFFAOYSA-N 415.515 2.635 50 40 HFGB Cc1ccccc1C(=O)N1CCC(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)CC1 9910702 CFCLRAUPKPAJHZ-UHFFFAOYSA-N 418.497 2.719 50 40 HFGB O=C(COc1cccc(Cl)c1)N/N=C/C=N/NC(=O)COc1cccc(Cl)c1 13549480 JNDARUZMDJORFN-KVJLFNRQSA-N 423.256 2.655 50 40 HFGB COc1ccc2occ(/C=N/NC(=O)CCC(=O)Nc3ccc(C)cc3)c(=O)c2c1 28294416 JPOXHDKOHFMBJB-FSJBWODESA-N 407.426 2.979 50 40 HFGB Cc1cc(/C=N/NC(=O)C(=O)NCc2ccccn2)c(C)n1-c1ccccc1Cl 58912285 YCLFQHHKPFZGGC-BRJLIKDPSA-N 409.877 2.909 50 40 HFGB Cc1ccc(-n2nc(C(=O)N/N=C\c3cccnc3)c(C)c(C#N)c2=O)cc1Cl 409055943 FOXWNVJDMINRPM-MYKKPKGFSA-N 406.833 2.533 50 40 HFGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cc(C)cc(C)c1 409271979 WZPGMYLPAPWEEH-ZRWQFTNJSA-N 424.501 2.686 50 40 HFGB CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\NC(=O)Nc1cc(C)c(C)cc1Br 16267955 FMOKWUYEVPTSFF-JYRVWZFOSA-N 417.263 2.910 50 40 HFGB CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(Cl)c1OCC(=O)O 408963742 AOFYAAAKWQFXOQ-NUGSKGIGSA-N 419.796 2.977 50 40 HFGB CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=N/NC(N)=O)nnc1-c1ccco1 409192123 APWRYQXPCIXEMU-GIJQJNRQSA-N 401.408 2.620 50 40 HFGB CC(=O)Nc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2C)cc1 724177 GKTVHWRAWZKLOU-UHFFFAOYSA-N 420.263 2.556 50 40 HFGB C/C(=N\NC(=O)CN(c1cccc(Br)c1)S(C)(=O)=O)C(C)(C)C 4502955 PWWXDNJLDRGPBS-GZTJUZNOSA-N 404.330 2.753 50 40 HFGB Cc1nnc(NNC(=O)CCc2c(-c3ccccc3)[nH]c3ccc(F)cc23)[nH]c1=O 11548649 MKSFMFCQZMZDLP-UHFFFAOYSA-N 406.421 2.837 50 40 HFGB CCC(=O)NNC(=O)CCN1C(=O)c2ccccc2[C@@H]1c1c(C)[nH]c2ccccc12 13955589 XQMVZLKUZZKBMG-JOCHJYFZSA-N 404.470 2.969 50 40 HFGB CCc1ccc(OCC(=O)NNC(=O)CCc2c(C)nc3c(c(C)nn3C)c2C)cc1 26697961 JHNTYQHPZHIJRB-UHFFFAOYSA-N 423.517 2.615 50 40 HFGB N#CC(C(=O)CN1CCN(c2ccccc2[N+](=O)[O-])CC1)=C1Nc2ccccc2N1 30910665 LMQGKQVXUSQJJK-UHFFFAOYSA-N 404.430 2.559 50 40 HFGB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1ccc(O)c([N+](=O)[O-])c1 96617494 BCEGMVZQOKRUBQ-FSJBWODESA-N 416.393 2.919 50 40 HFGB C=C1C(=O)O[C@@H]2/C=C(\COC(C)=O)CC/C=C(\C=O)C[C@@H](OC(=O)[C@H](C)CC)[C@@H]12 100069854 ALJXWCROGAMOBL-CCNRODESSA-N 404.459 2.841 50 40 HFGB biogenic,in-vitro Cc1c(C(=O)NN)c2ccccc2n1C(=O)c1cccc(I)c1 226366545 POSKHBCIQNBTMS-UHFFFAOYSA-N 419.222 2.846 50 40 HFGB CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OC)c(OCC)c1 408909434 UHSZNXAGACDPEO-MMTNMYCKSA-N 413.474 2.901 50 40 HFGB CC(=O)Nc1ccc(C(=O)NNC(=O)COc2ccc(Br)c(C)c2)cc1 670723 BAWUCQHEDQVDBM-UHFFFAOYSA-N 420.263 2.556 50 40 HFGB CC(C)CC(=O)NNS(=O)(=O)c1cc(Br)ccc1Br 14201326 SJLMHYFOWDEZCO-UHFFFAOYSA-N 414.119 2.567 50 40 HFGB Cc1ccc(OCC(=O)N/N=C2/C(=O)N(C)c3ccc(Br)cc32)cc1 18173208 GBJBZWQAXKJRSE-HEHNFIMWSA-N 402.248 2.633 50 40 HFGB CC(C)COc1ccc(/C=N/NC(=O)CN(c2ccccc2F)S(C)(=O)=O)cc1 20211605 GCAHLDXQNHSTAP-WSDLNYQXSA-N 421.494 2.777 50 40 HFGB O=C(COc1ccc(C2CCCCC2)cc1)NC(=S)NNC(=O)c1ccncc1 32119143 NEHYZVGDZADXHH-UHFFFAOYSA-N 412.515 2.844 50 40 HFGB Cc1ccc(C)c(OCC(=O)NNC(=O)CCC(=O)Nc2ccccc2Cl)c1 4550748 JTBIQUJEQZOCJO-UHFFFAOYSA-N 403.866 2.902 50 40 HFGB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)[C@@H]1CCCC[C@@H]1C(=O)O 4657088 JAUAZQISBASICJ-WCQGTBRESA-N 403.262 2.799 50 40 HFGB O=C(CN1C[C@H](c2ccccc2)CC1=O)N/N=C/c1cccc(Br)c1 6241797 HZEVDGIDMWFOMB-BTZNOAQDSA-N 400.276 2.915 50 40 HFGB COc1cccc(NC(=O)C(=O)N/N=C(\C)CC(=O)NC2CCCCCCC2)c1 100372562 SWVNIVAVRZMZMN-BUVRLJJBSA-N 402.495 2.745 50 40 HFGB CC(C)OCCCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)cc1 408615178 MWMYBNIQBXMJRU-AFUMVMLFSA-N 415.465 2.786 50 40 HFGB CN(C)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)CSCc1ccc([N+](=O)[O-])cc1 408993087 CEYONLMGZJNLDQ-VXLYETTFSA-N 417.447 2.953 50 40 HFGB CCN(CC)S(=O)(=O)c1cc(C(=O)NNC(=O)c2cccc(Cl)c2)ccc1C 3532777 HABGZXMDKYQPBB-UHFFFAOYSA-N 423.922 2.754 50 40 HFGB C/C(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)=N\NC(=O)C(=O)NC(C)C 4526047 QVSKCZLMUGXERE-NUGSKGIGSA-N 406.792 2.704 50 40 HFGB COc1cccc2cc(/C=N/NC(=O)c3nc4ccccc4c(=O)[nH]3)c(Cl)nc12 9452594 ZYZQJVZPHMZSEC-LSHDLFTRSA-N 407.817 2.897 50 40 HFGB Cc1cn2c3c(=O)n(Cc4c(F)cccc4Cl)c(=O)n(C)c3nc2n1CCCl 10104406 VDZGDSRZOZBWFX-UHFFFAOYSA-N 424.263 2.537 50 40 HFGB CCOc1ccc(OCC)c(C(=O)NNC(=O)c2ccc(OCC)c(OC)c2)c1 14936160 KKRCVMMNUPPEHL-UHFFFAOYSA-N 402.447 2.966 50 40 HFGB CCOc1cc(C(=O)N/N=C\c2ccc(OCC(=O)O)c(Cl)c2)ccc1OC 409301308 DWDDKFIIGCBZNW-FBHDLOMBSA-N 406.822 2.975 50 40 HFGB O=C(CNC(=O)C(c1ccccc1)c1ccccc1)N/N=C/c1ccc([N+](=O)[O-])cc1 3144816 HZELBIARXPUIAB-MFKUBSTISA-N 416.437 2.993 50 40 HFGB COc1ccc(CC(=O)NNC(=O)c2ccc(C)c(I)c2)cc1 12284788 KZIGTSLQRLYWCD-UHFFFAOYSA-N 424.238 2.612 50 40 HFGB CCOC(=O)CC[C@H](NC(=O)c1ccc(CBr)cc1)C(=O)OCC 1566437 TWPIQHUQGNKXGI-AWEZNQCLSA-N 400.269 2.586 50 40 HFGB O=C(/C=C/c1cc(Br)ccc1OC(F)F)NNC(=O)c1cccnc1 13101210 GYIABOMXEPARBB-ZZXKWVIFSA-N 412.190 2.920 50 40 HFGB COc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccccc2Cl)S(C)(=O)=O)cc1 19953566 RORNFRIXXDTMGN-DZUMZMOTSA-N 409.895 2.653 50 40 HFGB Cc1cc(C(=O)NNC(=O)COc2ccc(C#N)cc2)c(C)n1-c1ccccc1F 58168062 SAPFLZJEILEXFM-UHFFFAOYSA-N 406.417 2.945 50 40 HFGB Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N/N=C/c1ccn(CC(F)(F)F)n1 252481425 CLHQUDKGXKRSPK-IPBDZQFASA-N 416.713 2.773 50 40 HFGB Cc1ccccc1NC(=O)N/N=C\c1cn(CC(=O)N2CCOCC2)c2ccccc12 408961199 LGBMDFMZAJCRDX-OYKKKHCWSA-N 419.485 2.964 50 40 HFGB CCOc1ccccc1/C=N/NC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1 3204412 SZORDQCZVKQPRS-RCCKNPSSSA-N 403.504 2.880 50 40 HFGB COc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)cc(Br)c1OC 5675415 BENAKWXFRDIMAS-UFWORHAWSA-N 407.220 2.959 50 40 HFGB CCOc1ccc(/C=N/NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)cc1 19955339 GSHLVPIEOLPJRJ-FYJGNVAPSA-N 403.504 2.618 50 40 HFGB COc1ccc(-n2c(C)cc(/C=N\NC(=O)CC(=O)NCc3cccnc3)c2C)cc1 58914275 RMDYGNQQBGYWCR-YSMPRRRNSA-N 419.485 2.654 50 40 HFGB CCc1cccc(CC)c1N1/C(=N\C(=O)CCl)S[C@H]2CS(=O)(=O)C[C@@H]21 101317215 BEWTUNSUZCQTMT-JOUJLLDFSA-N 400.953 2.652 50 40 HFGB COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c(O)c([N+](=O)[O-])c1 109059626 ZCTJVATWQLKUFR-OEAKJJBVSA-N 421.409 2.695 50 40 HFGB O=C(N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O)c1ccc([N+](=O)[O-])cc1 2901103 RVJSVFOAAIXZMT-FRKPEAEDSA-N 409.152 2.735 50 40 HFGB Cn1c(CC(=O)NNC(=O)/C=C/c2cccc(C(F)(F)F)c2)nc2ccccc21 6423711 KGMXQCQDOKXLND-MDZDMXLPSA-N 402.376 2.995 50 40 HFGB Cc1c(C)n2c3c(=O)n(Cc4ccccc4Cl)c(=O)n(C)c3nc2n1CCCl 10104449 YACAEUSWFFNZLV-UHFFFAOYSA-N 420.300 2.707 50 40 HFGB COC(=O)COc1ccc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1 34704737 IJLUHFZAWSIIEY-XYGWBWBKSA-N 418.449 2.625 50 40 HFGB CCCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OCC 58885071 TUFGAQQMNTYKLE-FYJGNVAPSA-N 414.418 2.871 50 40 HFGB CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NNC(=O)c1cccnc1 103918444 IFSCEZPUASJZDF-AQTBWJFISA-N 408.418 2.701 50 40 HFGB O=C(COc1ccc(/C=N/NC(=O)c2ccccc2O)cc1)NCc1ccccc1 408768528 XQZZAAQTFWPSSY-MFKUBSTISA-N 403.438 2.851 50 40 HFGB CCCOc1c(Cl)cc(C(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1OC 15793520 NYBOZYCZMGYUGS-UHFFFAOYSA-N 406.822 2.941 50 40 HFGB C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)N/N=C\c4ccc(O)cc4)c(=O)c23)C1 31783265 AXIYLHMYFFHFAI-VKCJYKEXSA-N 410.499 3.000 50 40 HFGB CCOc1cc(/C=N\NC(=O)COc2cccc3cccnc23)cc([N+](=O)[O-])c1O 409022809 TZTQZKNQAQFXEW-JJFYIABZSA-N 410.386 2.776 50 40 HFGB O=C(Cc1c[nH]c2ccccc12)NNC(=O)Cn1c(C(F)(F)F)nc2ccccc21 5269026 OVQMRUVCHWPIGH-UHFFFAOYSA-N 415.375 2.927 50 40 HFGB CCOCCCNC(=S)NNC(=O)c1cccc(COc2ccc(C#N)cc2)c1 6464179 SYXKROYJJHOKFC-UHFFFAOYSA-N 412.515 2.673 50 40 HFGB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N/N=C/c3sccc3C)CC2)cc1 6841738 QRVXTXSFBXTWHC-DEDYPNTBSA-N 405.545 2.916 50 40 HFGB Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)NNC(=O)c1ccccc1 40134490 XWJVJSPWEZUBHY-UHFFFAOYSA-N 417.391 2.907 50 40 HFGB O=C(NC[C@H]1CCCO1)C(=O)N/N=C/c1cccc(OCc2ccccc2Cl)c1 59383488 YYOWCXZXFYXDJL-SZMVHAFZSA-N 415.877 2.664 50 40 HFGB COc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1OCC(=O)N/N=C/c1c[nH]c2ccccc12 3116005 ZEURYKJMPCVNMR-AWQFTUOYSA-N 413.346 2.522 50 40 HFGB CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)c2ccc(Cl)cc2Cl)cc1 4195947 VUSBHEVPARDTMX-UHFFFAOYSA-N 402.259 2.575 50 40 HFGB COc1ccc(C(=O)NC2=N/C(=C(/C#N)C(=O)NCC(C)C)c3ccccc32)cc1 5206237 PMMQUXKXXLFCDV-VXPUYCOJSA-N 402.454 2.892 50 40 HFGB O=C(CN(Cc1ccco1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(F)c1 6890139 YGHXJBILNUTMRH-LPYMAVHISA-N 415.446 2.760 50 40 HFGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccccc2)=C(C#N)[C@H]1c1ccccc1 108297051 BDIRYGKPLRBZOG-MOPGFXCFSA-N 421.478 2.796 50 40 HFGB CCn1c(NNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)nc2ccccc2c1=O 9857030 FXLTXAKYMMOTDL-UHFFFAOYSA-N 408.418 2.656 50 40 HFGB Cn1c(N2CCN(C(=O)CCCCl)CC2)nc2sc3c(c2c1=O)CCCC3 12323540 CRYWMSDWPYQUNE-UHFFFAOYSA-N 408.955 2.541 50 40 HFGB O=C(NNC(=O)N1CCN(CCOc2ccccc2Cl)CC1)c1ccc(F)cc1 24978731 PWSNAOPOGZHYKK-UHFFFAOYSA-N 420.872 2.530 50 40 HFGB COc1ccc(/C=N/NC(=O)Cc2nnc(NC(=O)c3cccc(C)c3)s2)cc1 1958269 RFZVMRLHCXLNCN-CIAFOILYSA-N 409.471 2.800 50 40 HFGB COc1ccc(NC(=S)NNC(=O)C(O)(c2ccccc2)c2ccccc2)cc1 2154800 UGMFNPKPSUKKER-UHFFFAOYSA-N 407.495 2.949 50 40 HFGB O=C(CCc1ncc(-c2ccc(F)cc2F)o1)NNC(=O)c1cccc([N+](=O)[O-])c1 12971890 IIAOJPNYBCXUKA-UHFFFAOYSA-N 416.340 2.922 50 40 HFGB C[C@@H]1C[C@H]1C(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 17520359 HGRDGERYUQDWHC-BDJLRTHQSA-N 407.879 2.558 50 40 HFGB Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)CN(C)C(=O)OC(C)(C)C 58323772 NKOOLKWRQXYIOC-UHFFFAOYSA-N 404.492 2.746 50 40 HFGB O=C(N/N=C1\C(=O)N(CN2CCCCC2)c2ccccc21)c1ccccc1[N+](=O)[O-] 101481763 RHCAILKPGZVMPB-QOCHGBHMSA-N 407.430 2.519 50 40 HFGB Cc1c(C(=O)NN)c2ccccc2n1C(=O)c1ccc(I)cc1 226366607 CMLUPJWHEFKJBI-UHFFFAOYSA-N 419.222 2.846 50 40 HFGB COc1cc([N+](=O)[O-])cc2cc(C(=O)N/N=C/c3ccc(O)c([N+](=O)[O-])c3)oc12 408964907 TXBQZUSTNSVNMI-QGMBQPNBSA-N 400.303 2.727 50 40 HFGB COc1ccc(C(O)(C(=O)N/N=C/c2cccc(O)c2)c2ccc(OC)cc2)cc1 2372891 JSBGSRWDBBONTJ-BUVRLJJBSA-N 406.438 2.796 50 40 HFGB Cc1n[nH]c2c1[C@]1(C(=O)N(Cc3cccc(F)c3)c3ccccc31)C(C#N)=C(N)O2 4741513 JBDWQYNWZDYJRH-JOCHJYFZSA-N 401.401 2.776 50 40 HFGB C/C(CC(=O)Nc1ccc2c(c1)OCCO2)=N\NC(=O)c1cccc([N+](=O)[O-])c1C 5724483 PSMKALZKJXQACC-WSDLNYQXSA-N 412.402 2.809 50 40 HFGB COc1ccc(C(=O)N[C@@H](C(=O)NNC(=O)c2ccc(Cl)cc2)C(C)C)cc1 7191739 CFCBNYNRCCNWRD-QGZVFWFLSA-N 403.866 2.564 50 40 HFGB COc1c(Br)cc(Br)cc1/C=N\NC(=O)c1cnccn1 9948659 UUPKJCUOEFACSG-FXBPXSCXSA-N 414.057 2.774 50 40 HFGB CCOC(=O)/C(C#N)=C\c1ccc(NC(=O)Cn2c(=O)cnc3ccccc32)cc1 96533535 HFOBTCLSTMGEFI-WJDWOHSUSA-N 402.410 2.505 50 40 HFGB O=C(N/N=C/c1cn(CC(=O)N2CCOCC2)c2ccccc12)c1ccccc1Cl 408962080 PPJRTLSPRZOTGS-ZMOGYAJESA-N 424.888 2.917 50 40 HFGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cc(C)ccc2C)cc1 409257310 OAPATKCMCFGGJR-PDERCVKFSA-N 424.501 2.686 50 40 HFGB CN(C)N(C(=O)c1cc(-c2ccccc2)nn1-c1ccccc1)[C@H]1CCS(=O)(=O)C1 9390565 UVQCUBCEQPHNOW-IBGZPJMESA-N 424.526 2.645 50 40 HFGB Cc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2c(O)ccc3ccccc23)cc1 16309168 JYSXMSNJECNDAT-XKZIYDEJSA-N 411.483 2.625 50 40 HFGB Cc1cccc(C(=O)NNC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)c1C 18110983 ATEXIVRWTLYUAY-UHFFFAOYSA-N 412.467 2.945 50 40 HFGB Cc1ccc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)cc1 408779186 RYSYSEXZJJQNHU-YBFXNURJSA-N 424.320 2.674 50 40 HFGB N#C/C(=C\c1ccc(OCC(N)=O)c(Br)c1)C(=O)Nc1ccccc1F 408799925 JJPRBUQSLZJCQS-KPKJPENVSA-N 418.222 2.998 50 40 HFGB Cc1ccc(OCC(=O)NNC(=O)CCC(=O)Nc2cccc(Cl)c2C)cc1 2132228 FSKPJQINMZRUFY-UHFFFAOYSA-N 403.866 2.902 50 40 HFGB COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccccn4)c(=O)c32)c1 2709959 MOFPJOADUOAWIK-HXUWFJFHSA-N 400.438 2.827 50 40 HFGB COc1ccc(C(=O)NNC(=O)NC(C)(C(F)(F)F)C(F)(F)F)cc1OC 4151133 KRMLLXJBHRLWGI-UHFFFAOYSA-N 403.279 2.531 50 40 HFGB COc1cc(CC(=O)NNC(=O)[C@H](C)Oc2cccc(Br)c2)ccc1C 12973654 ZQAMIBDYFLCRCD-ZDUSSCGKSA-N 421.291 2.924 50 40 HFGB O=C(COc1ccccc1Cl)N/N=C\C=N\NC(=O)COc1ccccc1Cl 16134211 KDCMKNUTYKYBKX-CHQRTDLRSA-N 423.256 2.655 50 40 HFGB COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)NC(C)C)cc2)cc1 223174946 XWMVRBCEAPOAQB-PDGQHHTCSA-N 421.453 2.922 50 40 HFGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2C)cc1 409254008 HHRIAJCRSKYOQJ-ZRWQFTNJSA-N 424.501 2.686 50 40 HFGB Cn1nc(C(F)(F)F)c(COC(=O)CCl)c1S(=O)(=O)c1ccc(F)cc1 1391467 TZKUSUKCEXAWEG-UHFFFAOYSA-N 414.764 2.693 50 40 HFGB Cc1c(C)n2c3c(=O)n(Cc4cccc(Cl)c4)c(=O)n(C)c3nc2n1CCCl 10104451 SLLIDFMIUWSGKU-UHFFFAOYSA-N 420.300 2.707 50 40 HFGB CC(=O)O[C@@H]1[C@@H]2C[C@@H]([C@@H]1I)C(C(F)(F)F)(C(F)(F)F)N2 100145478 JXLRNTAERRAQNU-ZTYPAOSTSA-N 417.087 2.577 50 40 HFGB CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C/Nc1ccc2ccccc2c1 103518833 ITVGMRSDLPXWDY-TYJAPOHBSA-N 421.478 2.532 50 40 HFGB COC(=O)COc1c(Cl)cc(/C=N/NC(=O)CNc2ccc(C)cc2)cc1OC 408526470 CDNHZPQDYOXELG-AUEPDCJTSA-N 419.865 2.771 50 40 HFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccco1)c1ccc(Cl)c(C(F)(F)F)c1 408771064 FFPLBOGWZBKSOA-DNTJNYDQSA-N 423.800 2.868 50 40 HFGB CN(C)c1ccc(C(=O)N/N=C2\C(=O)N(CN3CCCCC3)c3ccccc32)cc1 5100693 CHTCRARBHFCDQO-FLFQWRMESA-N 405.502 2.677 50 40 HFGB CC(=O)N[C@H](CC(=O)NNC(=O)COc1ccc(Cl)c(C)c1)c1ccc(C)cc1 12752760 MCBVKSVLMDVJPY-LJQANCHMSA-N 417.893 2.751 50 40 HFGB Cc1cc(=O)c(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)nn1-c1ccccc1 12922434 RHBYEBGSWSDTRH-UHFFFAOYSA-N 406.486 2.518 50 40 HFGB Cc1cc(C)cc(OCc2nnc(SCC(=O)NNC(=O)c3ccccc3)o2)c1 20197040 GBVAMFVPFJILDH-UHFFFAOYSA-N 412.471 2.819 50 40 HFGB CO[C@H](C(=O)N/N=C/c1ccc(OCC(=O)NCc2ccco2)cc1)c1ccccc1 28214433 GTAQTHRDMSFKJK-PWYGXMRTSA-N 421.453 2.813 50 40 HFGB O=C(Cc1csc(Cc2ccccc2)n1)NNC(=O)CN1CCCc2ccccc21 31489893 JRYXEINVFKKTML-UHFFFAOYSA-N 420.538 2.877 50 40 HFGB CCc1sc(C(=O)NNC(=O)CCn2ncc3ccc([N+](=O)[O-])cc32)cc1C 44976103 BLVJNWHNUALUKA-UHFFFAOYSA-N 401.448 2.728 50 40 HFGB CC1=C(C#N)C(=O)N(CCCO)C(=O)/C1=C/c1ccc(-c2ccc3c(c2)COC3=O)o1 111455971 PRZXALQOXROHKR-VCHYOVAHSA-N 418.405 2.592 50 40 HFGB N#C/C(=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)c(Cl)c1)C(=O)NC(N)=O 409244908 KIGAXFOZHQEJIQ-GHXNOFRVSA-N 416.796 2.598 50 40 HFGB COc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2C)cc1OC 903263 SXNBBYJSPMKHKR-UHFFFAOYSA-N 423.263 2.615 50 40 HFGB O=C(N/N=C/c1ccc(O)c(O)c1O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 1055590 PVSJTWRRRKQBRT-YDZHTSKRSA-N 415.409 2.815 50 40 HFGB COCCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 408608384 PJRBEBAQSDDYIH-FOKLQQMPSA-N 424.284 2.785 50 40 HFGB COc1ccc(/C=N/NC(=O)c2cccc(Cn3nc([N+](=O)[O-])cc3C)c2)c(OC)c1 2742913 CIZYZUUIFGTWEX-WSDLNYQXSA-N 423.429 2.929 50 40 HFGB COc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1OCC(=O)N/N=C/c1ccc(Cl)cc1 3115972 JYHRFOSPUXQEMU-QGMBQPNBSA-N 408.754 2.694 50 40 HFGB CCCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)c(OC)c1 9232168 RDOPXWMHHKMABO-FSJBWODESA-N 403.866 2.904 50 40 HFGB Cc1oc(/C=N/NC(=O)c2ccc(CN3CCOCC3)cc2)cc1Br 23382820 GQJAMUFDWCWJJV-RGVLZGJSSA-N 406.280 2.947 50 40 HFGB CC(C)(C)c1ccc(C(=O)NNC(=O)C2CCN(c3ccc(C#N)cn3)CC2)cc1 24149120 SMIDPUXIKHIVMB-UHFFFAOYSA-N 405.502 2.928 50 40 HFGB Cc1cc(/C=N/NC(=O)CN2CCOCC2)c(C)n1-c1cccc(Br)c1 58917321 ZYQCNKQTVFTDOW-CIAFOILYSA-N 419.323 2.639 50 40 HFGB COc1cc([C@@H]2CC(=O)NC(SCC(=O)NCc3ccccc3)=C2C#N)ccc1O 2311532 ZENMTGROIZAJBX-INIZCTEOSA-N 423.494 2.789 50 40 HFGB Cc1cccc(N(CC(=O)N/N=C/c2ccc(Br)cc2)S(C)(=O)=O)c1 20060264 BHBPBRMXNVASLP-YBFXNURJSA-N 424.320 2.674 50 40 HFGB C[C@@H](Sc1nnnn1C[C@@H]1CCCO1)C(=O)/C(C#N)=C1/Nc2ccccc2S1 30346804 IGZCWAXLVRAHSZ-PXDUDJNXSA-N 414.516 2.855 50 40 HFGB CCn1c(=O)[nH]c(=O)c2cc(C(=O)NN(c3ccccc3)c3ccccc3)cnc21 32908247 PDPCZJNFVLFDIT-UHFFFAOYSA-N 401.426 2.588 50 40 HFGB C[C@]12Sc3[nH]c(=O)sc3[C@@H](c3ccc(O)cc3)[C@H]1[C@@H]1C[C@H]2[C@H]2C(=O)OC(=O)[C@@H]21 59690781 ADHPPXRKHNHSEK-NERAYFTRSA-N 415.492 2.720 50 40 HFGB NNC(=O)c1cn(C(=O)c2ccc(I)cc2)c2ccccc12 226366600 HBSBWRGOZCYTIN-UHFFFAOYSA-N 405.195 2.538 50 40 HFGB COc1cccc(/C=N\NC(=O)CN2CCOCC2)c1OCc1ccc(Cl)cc1 409083621 TWUCZOOOMMOIAY-QRVIBDJDSA-N 417.893 2.710 50 40 HFGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cc(C)cc(C)c2)c1 409263190 IEJFSGIAUJZDSK-ZRWQFTNJSA-N 424.501 2.686 50 40 HFGB COc1ccc(OC)c([C@@H]2C(C#N)=C(N)N(c3nc[nH]n3)C3=C2C(=O)CC(C)(C)C3)c1 5408202 MKSUMMGQDQUKNL-GOSISDBHSA-N 420.473 2.763 50 40 HFGB CCn1c(C)nc2cc(C(=O)NNC(=O)CSc3ccc([N+](=O)[O-])cc3)ccc21 9914553 HEZHNICPXWFCHU-UHFFFAOYSA-N 413.459 2.826 50 40 HFGB CS(=O)(=O)N(Cc1ccc(C(=O)N/N=C/c2ccccn2)cc1)c1ccccc1 20232412 ADEMEWFKRWIZCF-HZHRSRAPSA-N 408.483 2.812 50 40 HFGB C[C@]12Sc3[nH]c(=O)sc3[C@H](c3ccc(O)cc3)[C@@H]1[C@H]1C[C@H]2[C@@H]2C(=O)OC(=O)[C@H]12 245228634 ADHPPXRKHNHSEK-GITMNYCHSA-N 415.492 2.720 50 40 HFGB COc1ccc(CC(=O)N/N=C/c2cc(Br)c(O)c(OC)c2)cc1OC 408860559 YKWQRSFSMSVKMR-KEBDBYFISA-N 423.263 2.873 50 40 HFGB CCCn1nc(C(=O)NNC(=O)c2ccccc2-n2cccc2)c2ccccc2c1=O 12517576 XCHJVLLGPDZVAP-UHFFFAOYSA-N 415.453 2.672 50 40 HFGB COc1cc(OC)cc(C(=O)NNS(=O)(=O)c2cc(Cl)sc2Cl)c1 14200275 INJBUBIRIZKAGP-UHFFFAOYSA-N 411.288 2.695 50 40 HFGB CCCOC(=O)c1ccc(NC(=O)[C@@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)cc1 101879476 AXHFZTHOZFICSC-XMEMRUQMSA-N 422.275 2.763 50 40 HFGB CCOc1cc2c(cc1/C=N\NC(=O)CSc1ccc([N+](=O)[O-])cc1)OCO2 409098441 PXTVKOMKWLMTLV-OCKHKDLRSA-N 403.416 2.965 50 40 HFGB COc1cc(C(=O)NNC(=O)COc2cc(C)ccc2C(C)C)cc(OC)c1OC 670216 QFNAXYWNNRCHFS-UHFFFAOYSA-N 416.474 2.984 50 40 HFGB CC(C)[C@H](NC(=O)Cc1cccs1)C(=O)N/N=C\c1ccc(Br)o1 4520542 WFVQLFOUGBEEGH-QJVAEYLJSA-N 412.309 2.937 50 40 HFGB N#CC1=C(N)N(c2ccc(Cl)cc2)C2=C(C(=O)OC2)[C@@]12C(=O)Nc1ccccc12 20727083 OPEODUQRZCGJRY-NRFANRHFSA-N 404.813 2.555 50 40 HFGB COc1cc(/C=N\NC(=O)Cc2ccc(Br)cc2)cc([N+](=O)[O-])c1O 36144823 PKOKNZYDVDTOHU-NVMNQCDNSA-N 408.208 2.764 50 40 HFGB O=C(COc1cccc2cccnc12)N/N=C1\SCC(=O)N1CCc1ccccc1 100377730 LDYIAMDIOMLQBS-LVWGJNHUSA-N 420.494 2.819 50 40 HFGB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=N/NC(=O)CSc1ccc([N+](=O)[O-])cc1 408739977 HGKFKTAMDAIRRX-MLHZQLSASA-N 411.443 2.828 50 40 HFGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(O)c([N+](=O)[O-])c1)c1ccccc1 408977949 GGAVYDFGDJXZON-RVZJCZPVSA-N 400.391 2.628 50 40 HFGB CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccccc3OCC)[C@H]2C1 803635 ZNFNTFBRASLXIW-ICSRJNTNSA-N 417.469 2.967 50 40 HFGB O=C(COC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)NNC(=O)c1cccs1 9284299 XAHQAUDNWJLBFR-UHFFFAOYSA-N 415.383 2.534 50 40 HFGB Cc1c(C(=O)N/N=C\c2ccccc2O)nn(-c2ccc(Cl)cc2)c(=O)c1C#N 409057353 KXIIESWNNVUKOA-KSEXSDGBSA-N 407.817 2.536 50 40 HFGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(I)o1 5457831 GCQLAPHVHFMTAN-LBPRGKRZSA-N 400.172 2.529 50 40 HFGB CC1=C(C#N)C(=O)N(CCCN2CCCC2=O)C(=O)/C1=C\Nc1ccccc1Cl 8992615 OTTGFSPTIKNRSW-SSZFMOIBSA-N 412.877 2.857 50 40 HFGB CCc1nc(C)c2c(C)c(C(=O)NNC(=O)c3ccc4c(c3)OCCO4)sc2n1 12757161 SPHSNNWVEXLLCF-UHFFFAOYSA-N 412.471 2.717 50 40 HFGB Cc1ccc(C(=O)NNC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)o1 17518616 ZULNZGWCXUHIOJ-UHFFFAOYSA-N 405.457 2.525 50 40 HFGB CCN(CC)C(=O)Cn1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)c2ccccc21 96234499 ZCWKLGCUVQDSBH-FQEVSTJZSA-N 404.474 2.759 50 40 HFGB O=C(COC(=O)c1c2c(nc3ccccc13)CCCC2)NNC(=O)c1ccccc1 3297317 HGKIHWNCLZULIL-UHFFFAOYSA-N 403.438 2.732 50 40 HFGB C[C@@H]1C[C@H]1C(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 12757549 GXTJBGPHRLAAOP-BDJLRTHQSA-N 407.879 2.558 50 40 HFGB COc1ccccc1/C=N\NC(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 16187497 DGVBXFPRTRTIOM-HMAPJEAMSA-N 411.483 2.619 50 40 HFGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccc(Cl)c1)c1ccccc1Cl 20493188 CFHUJPRRTHKWJY-VXLYETTFSA-N 400.287 2.910 50 40 HFGB Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)C(=O)NCc3ccncc3)c2C)c1 408969248 KBLQGXVAHVYZEA-VULFUBBASA-N 403.486 2.872 50 40 HFGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccccc2C(F)(F)F)cc1OC 59459561 FZYRWACZELGDMY-BRJLIKDPSA-N 423.391 2.532 50 40 HFGB Cc1cccnc1N1C(=O)[C@H]2[C@@H]3C[C@@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O 4892824 ZKYAEZPVIQTARD-LIPDQUKKSA-N 414.097 2.672 50 40 HFGB N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccco3)C2)[C@@]12C(=O)N1CCCc3cccc2c31 8559968 NYEPGUCRMWGGGZ-BSEYFRJRSA-N 413.433 2.935 50 40 HFGB Cc1cccc(C(=O)Nc2nnc(CC(=O)N/N=C/c3ccc(N(C)C)cc3)s2)c1 59498640 VLPKPCPIOJYWSI-LPYMAVHISA-N 422.514 2.858 50 40 HFGB N#Cc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)O)c(Br)c2)c(F)c1 408965073 FZZRDARWDKRFFI-ODCIPOBUSA-N 420.194 2.687 50 40 HFGB COc1cc2c(cc1/C=N/NC(=O)COc1ccc(Br)cc1)OCO2 409051242 JQCJKAJHTQPTDP-UFWORHAWSA-N 407.220 2.716 50 40 HFGB COc1ccc([C@H]2C(C#N)=C(N)C(C#N)(C#N)C3=CCN(C(C)C)C[C@@H]32)c(OC)c1 998372 BOHRYMURFFJDQZ-RXVVDRJESA-N 403.486 2.838 50 40 HFGB CC(=O)Oc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2)c(OC(C)=O)c1 1444113 NYUKSCXFGJQMGB-UFFVCSGVSA-N 404.806 2.720 50 40 HFGB Cc1cc2c(c(=O)n1Cc1ccccc1)[C@@]1(C(=O)Nc3ccccc31)C(C#N)=C(N)O2 9355678 FCZDKAZLFFZECL-DEOSSOPVSA-N 410.433 2.530 50 40 HFGB COc1cccc(/C=N\NC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1 31854650 QVNVVTNWXLTBSR-NDDCZYGQSA-N 410.499 2.742 50 40 HFGB O=C(CSc1ccccc1)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1 58915719 OGVFXPMGIACHAR-DEDYPNTBSA-N 400.460 2.674 50 40 HFGB C[C@@H](NC(=O)OCC[PH](c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O 104198765 IIWVKDLDNBQZOF-LJQANCHMSA-N 423.449 2.912 50 40 HFGB COCCCNC(=O)/C(C#N)=C/c1ccc(OCC(=O)Nc2ccccc2)c(OC)c1 408810708 MRPFPYCYKLVVOX-QGOAFFKASA-N 423.469 2.772 50 40 HFGB O=C(N/N=C/c1ccc(Sc2nc[nH]n2)c([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 409194220 PFJXIRKRBRSBIL-QGMBQPNBSA-N 413.375 2.536 50 40 HFGB Cc1cc(/C=N/NC(=O)C(=O)NCc2cccnc2)c(C)n1-c1ccccc1Cl 2054014 IRCUQAJHIWSXOP-DHRITJCHSA-N 409.877 2.909 50 40 HFGB CCCOc1c(I)cc(/C=C(\C#N)C(N)=O)cc1OCC 408869362 CHTBYVVVVHRQCY-IZZDOVSWSA-N 400.216 2.871 50 40 HFGB Cc1oc2ccc(OCC(=O)NNC(=O)c3ccco3)cc2c1C(=O)OC(C)C 1244101 OLCBYQORLQXUDK-UHFFFAOYSA-N 400.387 2.739 50 40 HFGB biogenic COc1ccccc1OCC(=O)N/N=C/c1ccc(I)cc1 3167258 VIQQDDLKVGAAQM-VCHYOVAHSA-N 410.211 2.829 50 40 HFGB CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NNC(=O)Cc2c[nH]c3ccccc23)C1 12944054 BYOWQZLYDKAOBW-AWEZNQCLSA-N 400.479 2.505 50 40 HFGB CN(CC(=O)N/N=C/c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(F)cc1 16187004 CPHOKIGUEBHMPN-AWQFTUOYSA-N 418.277 2.903 50 40 HFGB O=C(Cc1ccccc1)NNC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 16595740 YLAOTBNVUZSDKU-UHFFFAOYSA-N 404.470 2.517 50 40 HFGB CCn1c(SCC(=O)N/N=C\c2ccc(O)cc2O)nnc1-c1ccc(C)cc1 30735430 HDCOVBKRLIUEEG-NHDPSOOVSA-N 411.487 2.927 50 40 HFGB Cc1ccc(C(=O)N/N=C2\C(=O)Nc3ccc(Br)cc32)cc1[N+](=O)[O-] 59937655 LRFGBCKJNNMVCO-UHFFFAOYSA-N 403.192 2.752 50 40 HFGB COc1ccc(Br)cc1/C=N/NC(=O)COc1ccccc1[N+](=O)[O-] 4720937 PNTJDQTWSNYDEX-GIJQJNRQSA-N 408.208 2.895 50 40 HFGB COCCNC(=O)/C(C#N)=C/c1c(Oc2ccc(C)cc2C)nc2ccccn2c1=O 5530715 MVEMQPWUIVFUNL-GHRIWEEISA-N 418.453 2.773 50 40 HFGB C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)N/N=C\c4ccccc4O)c(=O)c23)C1 17394765 ZUQDELBMIPXOOG-NHXJGAAHSA-N 410.499 3.000 50 40 HFGB C=C1C(=O)O[C@@H]2C=C(COC(C)=O)CCC=C(C=O)C[C@H](OC(=O)[C@H](C)CC)[C@H]12 958318573 ALJXWCROGAMOBL-RHMWYWNKSA-N 404.459 2.841 50 40 HFGB biogenic,in-vitro O=C(O)c1cccc(Cn2c(Cl)c(/C=N/NC(=O)c3ccco3)sc2=O)c1 2215746 MCBICAFGJMQRBB-UFWORHAWSA-N 405.819 2.667 50 40 HFGB Cc1ccccc1OCCOc1ccccc1/C=N/NC(=O)Cc1nnc(N)s1 2300198 YKXHXPODIRYTGJ-LPYMAVHISA-N 411.487 2.579 50 40 HFGB CC(C)Oc1ccc(C(=O)NNC(=O)[C@H](NC(=O)C2CCCCC2)C(C)C)cc1 14340577 JUTKWFRCBCJRED-LJQANCHMSA-N 403.523 2.956 50 40 HFGB CCN(CC)C(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2nccs2)cc1OC 17089894 YWDCUELGOXCCPN-XNTDXEJSSA-N 414.487 2.945 50 40 HFGB O=C(N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)C(=O)Nc1ccccn1 21965612 DICIGATXUXLESD-YDZHTSKRSA-N 419.397 2.658 50 40 HFGB CCOC(=O)Cn1cc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)c2ccccc21 33795121 FFTSSXDHNZSDBQ-FSJBWODESA-N 406.442 2.927 50 40 HFGB C/C(=N\NC(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O)c1ccccc1O 408782676 INEALYITDVXDCV-DEDYPNTBSA-N 409.895 2.660 50 40 HFGB COc1cc2c(cc1OC)[C@H]1C/C(=N\NC(N)=O)C3=C(CC(C)(C)CC3=O)N1CC2 4026268 SXHUCIYBPDRDFT-LZCVXGSNSA-N 412.490 2.674 50 40 HFGB biogenic O=C(N/N=C/c1ccc([N+](=O)[O-])s1)c1ccn(Cc2ccc([N+](=O)[O-])cc2)n1 8780737 BMNIUWRXBJODSQ-RQZCQDPDSA-N 400.376 2.573 50 40 HFGB COc1ccc(O[C@H](C)C(=O)NNC(=O)[C@H](C)Nc2nc3ccccc3s2)cc1 11374899 KWIQWMIHEGAADX-QWHCGFSZSA-N 414.487 2.720 50 40 HFGB COc1cccc(C(=O)N/N=C/c2ccc(OCC(=O)NCc3ccco3)cc2)c1 28215694 NYMRVZCIDHXWDI-ZMOGYAJESA-N 407.426 2.747 50 40 HFGB O=C(NNC(=S)NC(=O)c1cccc(OCc2ccccc2)c1)c1ccncc1 32119227 BGQMJGFBKXBFPM-UHFFFAOYSA-N 406.467 2.610 50 40 HFGB CC1(C)[C@H]2CC(Br)(Br)C(=O)[C@]1(CBr)OC2=O 33803048 ZCNUNAAFUSTIKG-CDUCUWFYSA-N 418.907 2.778 50 40 HFGB CC(C)c1cc(C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)nn1C(C)(C)C 40144848 IUUZUMQXUOYPCD-UHFFFAOYSA-N 410.478 2.728 50 40 HFGB CC(=O)NSC[C@H](C(=O)Oc1ccc([N+](=O)[O-])cc1)N(C)C(=O)OC(C)(C)C 100499053 NQKRBSCPVJOKPC-CQSZACIVSA-N 413.452 2.520 50 40 HFGB C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(OCC(N)=O)c(Br)c1 408805829 HVQBHMYHAJZQPM-LLOPKGDWSA-N 420.307 2.915 50 40 HFGB Cc1cccc(NCC(=O)N/N=C/c2cc(I)ccc2O)c1 1092661 FNTOASNWDMULHA-DJKKODMXSA-N 409.227 2.867 50 40 HFGB COc1cc(Br)ccc1OCC(=O)N/N=C1\C(=O)Nc2ccc(C)cc21 1433739 YAGKOJCDXHZTNW-UHFFFAOYSA-N 418.247 2.618 50 40 HFGB Cc1ccccc1OCC(=O)NNC(=O)[C@@H](C)Oc1cccc(Br)c1 5943193 XYWTZOOSZHCOTQ-CYBMUJFWSA-N 407.264 2.751 50 40 HFGB Cc1ccc(S(=O)(=O)Oc2cccc(/C=C(\C#N)C(=O)N3CCOCC3)c2)cc1 408761201 CWWMHQHONNFIOR-QGOAFFKASA-N 412.467 2.529 50 40 HFGB O=C(Cn1c(C(F)(F)F)nc2ccccc21)N/N=C/c1ccc2c(c1)OCCO2 3546851 ZTLMJUCQEWEVFL-AUEPDCJTSA-N 404.348 2.977 50 40 HFGB O=C(N/N=C/c1ccc[nH]1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 4132575 JQWZFOFCIYGKRU-AAQDEFMOSA-N 402.410 2.665 50 40 HFGB CN(CC(=O)N/N=C/c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1 6544464 AYGKIJJJMRPIDV-VXLYETTFSA-N 400.287 2.764 50 40 HFGB CN1C(=O)[C@]2(C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)c2cc(Cl)ccc21 9341192 KGFCNRCLPRADQU-NRFANRHFSA-N 405.797 2.795 50 40 HFGB CN(C)N(C(=O)c1cc(-c2ccccc2)nn1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1 9390564 UVQCUBCEQPHNOW-LJQANCHMSA-N 424.526 2.645 50 40 HFGB COc1ccccc1NC(=O)/C(C#N)=C\c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 15226350 AOCOCVVLYWTTGM-VBKFSLOCSA-N 408.414 2.986 50 40 HFGB O=C(CCc1ccccc1)NNC(=O)c1ccc(=O)n(Cc2ccc(Cl)cc2)c1 16839366 FUZWWXJJLJYGGW-UHFFFAOYSA-N 409.873 2.944 50 40 HFGB CCOC(=O)/C(C#N)=C1\C(=O)N(CN2CCN(c3ccccc3)CC2)c2ccccc21 39379249 WKBLFPSTRNDAAS-XDOYNYLZSA-N 416.481 2.653 50 40 HFGB COc1ccc(Cl)cc1C(=O)NNC(=O)COc1ccc2c(C)cc(=O)oc2c1 2626773 OBDLTHSAEJIITB-UHFFFAOYSA-N 416.817 2.603 50 40 HFGB C=CCn1c(CNc2ccccc2)nnc1SCC(=O)N/N=C/c1cccnc1 2742579 ATJFKFNCARVIQD-YDZHTSKRSA-N 407.503 2.714 50 40 HFGB CN(CC(=O)N/N=C/c1c(F)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 16186752 VRSJFWZJGFYBTQ-AWQFTUOYSA-N 418.277 2.903 50 40 HFGB COc1ccc(Br)cc1/C=N/NC(=O)C(=O)NCc1ccc(Cl)cc1 16226497 WKALQMZXXNAVIB-UFFVCSGVSA-N 424.682 2.878 50 40 HFGB COc1ccc(N(CC(=O)N/N=C/c2sccc2C)S(C)(=O)=O)cc1Cl 20213313 CITHWTAOTXDMJJ-GIJQJNRQSA-N 415.924 2.635 50 40 HFGB N#C/C(=C\c1ccc(Sc2nnnn2-c2ccccc2)o1)C(=O)NC[C@H]1CCCO1 34714643 SPPXVZMWBGFGHK-GWKQRERASA-N 422.470 2.609 50 40 HFGB O=C(COc1ccc(Br)cc1)NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 8399301 ASXRMYYJCATDJU-UHFFFAOYSA-N 411.168 2.788 50 40 HFGB C/C(CCc1ccccc1)=N\NC(=O)c1nnn(-c2nonc2N)c1-c1cccs1 9479353 QSRKIUSIROLAED-CIAFOILYSA-N 422.474 2.700 50 40 HFGB Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 12689208 JSHSBNNJHXQYEN-OAHLLOKOSA-N 412.515 2.671 50 40 HFGB Cc1ccc(C(=O)NNC(=O)Cc2csc(NC(=O)c3ccoc3C)n2)c(C)c1 40128815 CEXZELYFYJDWGJ-UHFFFAOYSA-N 412.471 2.917 50 40 HFGB Cc1cc(/C=N/NC(=O)C(=O)NCc2ccccn2)c(C)n1-c1cccc(Cl)c1 58912291 KXJMNGPTSCSVAX-BRJLIKDPSA-N 409.877 2.909 50 40 HFGB COCCNC(=O)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 408606074 LKRDUUJRVSQDMI-FOKLQQMPSA-N 424.284 2.785 50 40 HFGB O=C(CC1CCCC1)NNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 2651403 GNMJDLURHYNOST-UHFFFAOYSA-N 407.517 2.890 50 40 HFGB Cc1cccc(C)c1OCC(=O)NNC(=O)CCc1nc(-c2ccc(F)cc2)no1 8245978 MZVJCFDKJLJTDM-UHFFFAOYSA-N 412.421 2.652 50 40 HFGB Cc1ccsc1C(=O)NNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 12521450 QBVUOEPIRFCLAB-UHFFFAOYSA-N 421.525 2.994 50 40 HFGB C/C(CC(=O)Nc1ccc(C(N)=O)cc1)=N\NC(=O)COc1ccc2ccccc2c1 105644204 XQNFNKYDVJYOPI-CVKSISIWSA-N 418.453 2.838 50 40 HFGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccccc1I 711269 HNMVZYSKUJZXTN-CQSZACIVSA-N 410.211 2.936 50 40 HFGB COc1cc([C@H]2[C@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)ccc1OC(C)C 989110 VDVBWVDRBZPWKZ-RXVVDRJESA-N 403.486 2.838 50 40 HFGB Cc1cc(C)c(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NC(C)C)c(C)c1 6606834 SPBOTYAUNFOHTI-WYMPLXKRSA-N 424.501 2.604 50 40 HFGB Cc1csc(=O)n1CC(=O)NNC(=O)c1cc2c(s1)CC[C@H](C(C)(C)C)C2 15760199 VSHWRKGZMPAGOL-ZDUSSCGKSA-N 407.561 2.892 50 40 HFGB O=C(NCCc1ccccc1)C(=O)N/N=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 58914416 IKAOZMHQBPOOIS-UCQKPKSFSA-N 406.398 2.664 50 40 HFGB Cc1cccc(C(=O)Nc2nnc(CC(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)s2)c1 59498638 JVAAJTLRAQKQTH-RGVLZGJSSA-N 424.442 2.700 50 40 HFGB COCCn1c(C)cc2c(c1=O)[C@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 2342012 AUWJFEBGTNAWEI-MRXNPFEDSA-N 416.275 2.784 50 40 HFGB Cc1c(C(=O)N/N=C2\C(=O)Nc3ccc(Br)cc32)cccc1[N+](=O)[O-] 6418125 RWDBJSIYHHGRSY-UHFFFAOYSA-N 403.192 2.752 50 40 HFGB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccco1 19950421 FZFSDCZVDGLIBR-FYJGNVAPSA-N 401.419 2.764 50 40 HFGB O=C(N/N=C/[C@H]1C(=O)NC(=S)N(c2ccccc2)C1=O)c1ccc2ccccc2c1 408740757 MHCHVWYRYIVPNX-XNQWGTPPSA-N 416.462 2.620 50 40 HFGB CCOC(=O)Cn1cc(/C=N/NC(=O)Cc2ccc3c(c2)OCCO3)c2ccccc21 409360403 FHPQXOORWFJFHG-ZMOGYAJESA-N 421.453 2.668 50 40 HFGB COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4cccnc4)c(=O)c32)ccc1O 2253729 IMYWGJNNBNGAHE-HXUWFJFHSA-N 416.437 2.532 50 40 HFGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(CC4CC4)c(=O)c32)c(OC)c1OC 2324003 UGWMLKVHQJXECP-GOSISDBHSA-N 423.469 2.811 50 40 HFGB O=C(Cc1ccccc1)NN[C@@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1=O 2353544 UIUFWLYLVVKNIZ-OAQYLSRUSA-N 415.449 2.974 50 40 HFGB CCOC(=O)Cc1[nH]nc2c1[C@H](c1ccc(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 6783851 KOLGZBZFTGIOTB-GOSISDBHSA-N 412.446 2.529 50 40 HFGB CN(C)c1ccc(/C=N\NC(=O)Cc2nnc(NC(=O)c3ccccc3)s2)cc1 33340160 BZHMFUSRCZSURA-BKUYFWCQSA-N 408.487 2.549 50 40 HFGB C[C@H](Oc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1)C(=O)O 59303423 JQWLWKCAYURLKF-XUANBZSPSA-N 418.449 2.925 50 40 HFGB CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C/Nc1ccccc1C(C)C 102676141 YPWHLNCUJKYATA-LZNAANCOSA-N 413.499 2.502 50 40 HFGB C#CCOc1ccc(OC)cc1/C=N/NC(=O)c1cc(Br)ccc1O 408568570 VEYMLDMIIMFYJY-RGVLZGJSSA-N 403.232 2.939 50 40 HFGB COc1ccc(Cl)cc1NC(=O)[C@H]1[C@H]2C(=O)O[C@H]3[C@@H]2C[C@H]1[C@H]3Br 408676102 AAOQUNLJTZMBGJ-SJSAEFMNSA-N 400.656 2.858 50 40 HFGB COc1ccc(C(=O)N2CCC(C(=O)N/N=C/c3cccs3)CC2)cc1OC 409006885 RSBAISONWBUORF-FYJGNVAPSA-N 401.488 2.768 50 40 HFGB CCOc1ccc(N2C[C@H](C(=O)N/N=C/c3ccc(OC)c(OC)c3)CC2=O)cc1 409256855 MNONVTACTQBJOF-DXRSZSRVSA-N 411.458 2.606 50 40 HFGB N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 1080620 DIKVNLKABHQPLJ-INIZCTEOSA-N 403.354 2.932 50 40 HFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccn1)c1ccc(Oc2ccccc2)cc1 13132758 WCZQOJJCFJBQRR-HZHRSRAPSA-N 424.482 2.790 50 40 HFGB Cc1ccc(N2C[C@@H](C(=O)NNC(=O)c3ccc(Br)s3)CC2=O)cc1 27319433 FZCKYIWXOFRFQB-NSHDSACASA-N 422.304 2.633 50 40 HFGB CC(C)(C)OC(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)CBr 33898690 PBVFTOAYKLEQQO-CYBMUJFWSA-N 400.269 2.977 50 40 HFGB O=C(NNC(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1)c1ccccc1-n1cccc1 40058160 UFFLAELUIRKGDS-MRXNPFEDSA-N 422.510 2.852 50 40 HFGB Cc1ccc(C)c(C(=O)OCC(=O)NNC(=O)c2ccc(Br)cc2)c1 2617137 PVFWRZBUHCOLBK-UHFFFAOYSA-N 405.248 2.684 50 40 HFGB O=C(COc1ccc(-c2ccccc2)cc1)NNC(=O)c1ccc2c(c1)OCCO2 2632015 DXXIRKNIVTURCK-UHFFFAOYSA-N 404.422 2.965 50 40 HFGB C/C(N)=C(/C#N)C(=O)COC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O 9562745 QFUGJLYLWOUXEW-RVDMUPIBSA-N 423.812 2.623 50 40 HFGB O=C(CCS(=O)(=O)C1CCCC1)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 40145334 JXQGEQOEBFQWRO-UHFFFAOYSA-N 409.386 2.804 50 40 HFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(Cl)c(Cl)c1)c1ccccc1 409185779 QABCXCRXHRSLAM-VXLYETTFSA-N 400.287 2.910 50 40 HFGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(C)c2C)cc1 409257934 UVRSAXABFOLSDQ-CBFMJHRQSA-N 424.501 2.686 50 40 HFGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCC(C)C)cc2)c(C)c1 8369147 GHNSCAZMRCFGAE-DHRITJCHSA-N 424.501 2.543 50 40 HFGB CCOc1cc(/C=N\NC(=O)c2cc([N+](=O)[O-])ccc2O)cc(Br)c1O 35189650 OBITWOCQDBDYEB-LSCVHKIXSA-N 424.207 2.931 50 40 HFGB CSc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 20209723 ORHJEJCDZRACSM-YBFXNURJSA-N 411.936 2.978 50 40 HFGB Cc1nc(CC(=O)NNC(=O)N(C)Cc2ccccc2OC(F)(F)F)cs1 32795045 RUEVBBKSFFVNKK-UHFFFAOYSA-N 402.398 2.765 50 40 HFGB Cc1cc(C)nc(NNC(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)c2)n1 32889340 BCBVKXBTXOPPCZ-OKILXGFUSA-N 417.535 2.517 50 40 HFGB CCc1[nH]nc2c1[C@H](c1cc(Br)c(OC)c(OC)c1)C(C#N)=C(N)O2 35326000 LGBMSNFOINSSEJ-CYBMUJFWSA-N 405.252 2.970 50 40 HFGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)c(C)c2)cc1 409262707 JQGTXTOYOHDXKC-PDERCVKFSA-N 424.501 2.686 50 40 HFGB N#C/C(=C\c1c(N2CCCCC2)nc2ccccn2c1=O)C(=O)NCc1ccccc1 2199738 FEOURVGXMBTYDI-XDJHFCHBSA-N 413.481 2.908 50 40 HFGB CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C\Nc1ccc2c(c1)oc(=O)n2C 16693946 BDZPLWBNBBHLDV-PDGQHHTCSA-N 414.421 2.836 50 40 HFGB Cc1occc1C(=O)NNC(=O)Cn1c(COc2ccccc2)nc2ccccc21 26743624 BUXGJIMESVSJHH-UHFFFAOYSA-N 404.426 2.978 50 40 HFGB COc1cc([N+](=O)[O-])cc2cc(C(=O)N/N=C/c3cccc([N+](=O)[O-])c3O)oc12 409107433 PQZONGCGVUOGFZ-QGMBQPNBSA-N 400.303 2.727 50 40 HFGB NC(=O)N[C@H](CC(=O)NNC(=O)c1ccco1)c1cccc(Oc2ccccc2)c1 7653522 ONTAKOUOMZOZCG-QGZVFWFLSA-N 408.414 2.633 50 40 HFGB COc1ccc(Br)cc1C(=O)N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2 8812721 AAGINOGPZMTUBI-CNHKJKLMSA-N 422.191 2.859 50 40 HFGB COc1cc(C(=O)NNC(=O)CCOc2cc(C)ccc2C)cc(OC)c1OC 9884592 AVYYSABMHVETAX-UHFFFAOYSA-N 402.447 2.559 50 40 HFGB COC(=O)COc1ccc(/C=N/NC(=O)c2c(C)nc3ccc(Cl)cn23)cc1 58872789 USDJYFYHRZKAME-ZVBGSRNCSA-N 400.822 2.612 50 40 HFGB CCN(CC)C(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc2c(c1)OCO2 408606160 OYJIDBDRJDDMLO-KRWDZBQOSA-N 411.487 2.669 50 40 HFGB CNC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 408608327 HENBIBXXJSFXON-LSFURLLWSA-N 410.257 2.777 50 40 HFGB Cc1nc(Sc2ccc(/C=N/NC(=O)COc3ccccc3)cc2[N+](=O)[O-])n[nH]1 409190593 ZWYBNZXJKMNYDY-VXLYETTFSA-N 412.431 2.702 50 40 HFGB Cc1cc(C)nc(SCC(=O)N/N=C/c2cccn2-c2ccc(C(=O)O)cc2)n1 409228168 VCEYSFGOVJWFKY-SRZZPIQSSA-N 409.471 2.825 50 40 HFGB COc1ccc([C@H]2[C@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1Br 988937 OMZKHWQYIBHPEK-YJBOKZPZSA-N 424.302 2.813 50 40 HFGB O=C(N/N=C/c1ccc(O)cc1O)c1ccn(Cc2cccc(Br)c2)n1 1081761 PEORQJWKSODSLZ-KEBDBYFISA-N 415.247 2.869 50 40 HFGB COc1ccc(-c2n[nH]cc2/C=N\NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 5634350 QGEKTZBWMYCPEQ-FMCGGJTJSA-N 410.430 2.875 50 40 HFGB CCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1c(C)cc(C)cc1C 6324028 AJMGQTOLKFWVAY-DHRITJCHSA-N 424.501 2.606 50 40 HFGB O=C(NNC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1)c1ccco1 12604654 HFEBNDGYYYVGRX-UHFFFAOYSA-N 419.846 2.809 50 40 HFGB CN(C)CN1C(=O)/C(=N\NC(=O)c2ccc(F)cc2)c2cc(Br)ccc21 20146008 DXJXNAJZNINEQL-PGMHBOJBSA-N 419.254 2.588 50 40 HFGB COc1ccc(N([C@H](C)C(=O)N/N=C(\C)c2ccc(F)cc2)S(C)(=O)=O)cc1 20214884 VQPKFIJIYDCZAZ-CNRHGSOZSA-N 407.467 2.529 50 40 HFGB CCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)N2CCN(CC)CC2)c1C 22287067 FGRHCGHEDWSWLP-SQVRNEIYSA-N 400.523 2.518 50 40 HFGB COc1cc(/C=N\NC(=O)CN2CCOCC2)cc(Cl)c1OCc1ccccc1 59246717 JOJNYFKADRWMGN-QRVIBDJDSA-N 417.893 2.710 50 40 HFGB COC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)Nn2c(C)ccc2C)cc1OC 409375387 KBPFEYXFNZCWFN-CHHVJCJISA-N 417.849 2.996 50 40 HFGB Nc1nonc1-n1nnc(-c2ccccc2)c1C(=O)N/N=C/c1cccc2ccccc12 2520709 IBEXWYJHFCTTDE-ZMOGYAJESA-N 424.424 2.817 50 40 HFGB CCOc1ccc(-n2c(Nc3ccc(OC)cc3)nnc2SCC(=O)NN)cc1 5393497 JDIPSPOLOYKMAZ-UHFFFAOYSA-N 414.491 2.500 50 40 HFGB COc1ccc(N2C[C@H](C(=O)N/N=C/c3ccc(Br)cc3)CC2=O)cc1 6645973 RFTAVVZYIQBAKK-VPNURPJOSA-N 416.275 2.961 50 40 HFGB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)[C@@H]1C(=O)NC[C@H]1c1ccccc1 9056980 JAEALZNPLGVIAH-WPXQYKPHSA-N 421.888 2.814 50 40 HFGB CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2cccs2)cc1 13101981 XGSPYQGWDKNYRT-UHFFFAOYSA-N 415.496 2.648 50 40 HFGB NC(=O)Cn1cc(/C=N\NC(=O)COc2cccc3ccccc23)c2ccccc21 107606751 XTFMIBHZIAPGGW-ROTLSHHCSA-N 400.438 2.809 50 40 HFGB O=C(N/N=C\c1ccc(N2CCOCC2)o1)C(O)(c1ccccc1)c1ccccc1 208456680 PRZDRMGLXLQISD-ULJHMMPZSA-N 405.454 2.502 50 40 HFGB C[C@H](Oc1ccc(/C=C(/C#N)C2=NN(c3ccccc3)[C@H](N)[C@H]2C#N)cc1)C(=O)O 253564616 GSHFNTUKBQUQMD-SPTOTSQGSA-N 401.426 2.746 50 40 HFGB O=C(N/N=C\c1ccc(I)cc1)c1cc([N+](=O)[O-])ccc1O 408918249 IBPGXEGTRVUHFL-PXNMLYILSA-N 411.155 2.669 50 40 HFGB COc1cccc(Nc2nnc(SCC(=O)NNC(=O)c3ccccc3)s2)c1 2656334 CLFNEIIWPZRSJJ-UHFFFAOYSA-N 415.500 2.844 50 40 HFGB CC(C)c1n[nH]c2c1[C@@H](c1cccc(OC(=O)N3CCOCC3)c1)C(C#N)=C(N)O2 5067358 VDPBIFHDBGERIF-INIZCTEOSA-N 409.446 2.582 50 40 HFGB COc1ccccc1/C=N/NC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 8169070 SEUMVCZKYFSVMU-FVUPAENESA-N 416.275 2.961 50 40 HFGB Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)NNC(=O)c1ccco1 13006221 TZKPGGJFJMNMEX-UHFFFAOYSA-N 417.418 2.603 50 40 HFGB Cc1ccc(S(=O)(=O)Nc2nc(C)c(C(=O)N/N=C/c3ccco3)s2)cc1 28628419 SYWBBSPIUDOQGE-VCHYOVAHSA-N 404.473 2.918 50 40 HFGB COc1cc(/C=N/NC(=O)CNc2ccc(Br)cc2)c(O)c([N+](=O)[O-])c1 59720739 LPQNKGHJRRVUHV-UFWORHAWSA-N 423.223 2.634 50 40 HFGB O=C(CSc1nnnn1-c1ccccc1)N/N=C/c1cc(Cl)cc(Cl)c1O 95470860 BZOZYPCWTQTPAY-UFWORHAWSA-N 423.285 2.917 50 40 HFGB N#C/C(=C\c1cn(CC(=O)O)c2ccccc12)C(=O)NCc1ccc2c(c1)OCO2 409205756 TUCAQAWHRMFBRW-OVCLIPMQSA-N 403.394 2.678 50 40 HFGB C=CCc1ccccc1OCC(=O)N/N=C/c1ccc(OC(C)=O)cc1OC(C)=O 704650 ZEXKFKBEVSHKSG-YDZHTSKRSA-N 410.426 2.795 50 40 HFGB N#C/C(=C/c1ccc2c(c1)OCO2)C(=O)OCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 3252755 ARKPXKJRAGOKSE-XGICHPGQSA-N 413.317 2.551 50 40 HFGB COc1cccc([C@@H]2[C@@H]3CN(C(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)c1OC 16037324 SGWVXSCLSOPNQM-UYAOXDASSA-N 403.486 2.838 50 40 HFGB CN(CC(=O)NNC(=O)c1cc(-c2ccco2)nc2ccccc12)C(=O)c1ccco1 48302108 NVOGJVCDLCTNHB-UHFFFAOYSA-N 418.409 2.621 50 40 HFGB COCCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 408610448 UIHQYBDFKCIKFA-FOKLQQMPSA-N 424.284 2.785 50 40 HFGB Cc1cccc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)c1 408775578 ITVPVVSSOANTMM-YBFXNURJSA-N 424.320 2.674 50 40 HFGB N#C/C(=C/c1cn(Cc2ccc(C(=O)O)o2)c2ccccc12)C(=O)N1CCOCC1 6896918 IMQXDIYQZLJKMR-PTNGSMBKSA-N 405.410 2.747 50 40 HFGB COc1ccc(/C=N\NC(=O)CCCCC(=O)N/N=C\c2ccc(OC)cc2)cc1 31629064 JXIHJXIWJZQQHP-MPKYGIEOSA-N 410.474 2.865 50 40 HFGB COc1ccc(C(=O)N/N=C2/C(=O)N(C)c3ccc(Br)cc32)cc1OC 102945981 LIBYWDHVPNMSBB-CAPFRKAQSA-N 418.247 2.577 50 40 HFGB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NNC(=O)c3ccco3)ccc2C)cc1 2645051 LSHSFDSGHIQGCG-UHFFFAOYSA-N 413.455 2.772 50 40 HFGB CN1C[C@@H](NC(=O)N(CCCl)N=O)C[C@H]2c3cccc4c3c(cn4N=O)C[C@@H]21 5438056 ISRQLVHMEKVSNP-NOLJZWGESA-N 404.858 2.815 50 40 HFGB Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)[C@@H]2CCCC[C@H]2C(=O)O)cc1 17093561 ZJJZSSVGJHMAPT-RTBURBONSA-N 423.469 2.899 50 40 HFGB C=CCOc1cccc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)c1 20208700 JIHLRXDUDXJSMA-HYARGMPZSA-N 415.515 2.785 50 40 HFGB Cc1nn(C)c2nc(C(C)C)cc(C(=O)NNC(=O)Cc3c[nH]c4ccccc34)c12 22507704 RRNQSNSDHWDWCX-UHFFFAOYSA-N 404.474 2.885 50 40 HFGB Cn1ccnc1Sc1ccc(/C=C(/C#N)C(=O)NC[C@H]2CCCO2)cc1[N+](=O)[O-] 35681673 FTIDDLCYQXHNET-KQGZCTBQSA-N 413.459 2.682 50 40 HFGB O=C(Cc1ccccc1)Nc1ccc(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408839363 RCOSWXZSEHIXGA-UHFFFAOYSA-N 418.409 2.851 50 40 HFGB O=C(NNC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 408840422 BHCTYSVJZGUURW-UHFFFAOYSA-N 404.382 2.922 50 40 HFGB COc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)ccc1OCC(=O)O 408924907 PKJNKNZQCANKEM-AWQFTUOYSA-N 415.427 2.542 50 40 HFGB COc1ccc(C(=O)N2CCC(C(=O)N/N=C/c3ccccc3F)CC2)cc1OC 409004326 BWFXVAGXTKKVEK-ZVHZXABRSA-N 413.449 2.845 50 40 HFGB CCCCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN3CCOCC3)o2)cc1 409064852 QHCLGISOAUZFPZ-HZHRSRAPSA-N 413.474 2.686 50 40 HFGB O=C(CCNC(=O)c1ccccc1)NNC(=O)COc1ccccc1-c1ccccc1 6509600 OANYFBOVNVVXLI-UHFFFAOYSA-N 417.465 2.700 50 40 HFGB Cc1ccc(C)c(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NCC(C)C)c2)c1 8369983 JIIITGOBVKXZQZ-DHRITJCHSA-N 424.501 2.543 50 40 HFGB COc1c(Br)cc(Br)cc1/C=N/NC(=O)CN1CCCC1 8766976 HFAVIUWHKQKMEI-CAOOACKPSA-N 419.117 2.766 50 40 HFGB CCOC(=O)COc1ccc(/C=N\NC(=O)[C@@H](C)Oc2ccccc2)cc1OC 32111951 CPWLTEZDPFJJEF-VUZLNAKASA-N 400.431 2.555 50 40 HFGB O=C(NNc1ncnc2ccccc12)[C@H]1CC=CC[C@H]1C(=O)NCc1ccccc1 7989034 ICEUPMXJFYIHGF-MSOLQXFVSA-N 401.470 2.972 50 40 HFGB Cc1ccsc1/C=N/NC(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 20211063 OVLDBTIQGHVRII-AWQFTUOYSA-N 419.450 2.992 50 40 HFGB COc1ccc(C(=O)N/N=C\c2c[nH]nc2-c2ccc(OC)c(OC)c2)cc1OC 32565548 JENKNEAOZXKEOI-FMCGGJTJSA-N 410.430 2.875 50 40 HFGB CCCCOc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(C)(=O)=O)cc1 59503045 GVZUOZCHUQIKFI-RCCKNPSSSA-N 403.504 2.782 50 40 HFGB O=C(N/N=C/c1cc(Br)c(Br)o1)[C@H](O)c1ccccc1 704666 LNOBHEDZTQNYJT-PFJSLNBISA-N 402.042 2.988 50 40 HFGB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N/N=C/c3ccc(F)cc3)CC2)cc1 705555 LXVUXDHPRLRXNE-HYARGMPZSA-N 403.479 2.685 50 40 HFGB COc1cc(C(=O)N/N=C/c2ccc(C#N)cc2)ccc1I 1091147 XFEZUMJZEOMCIV-VXLYETTFSA-N 405.195 2.935 50 40 HFGB COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(C[C@H]4CCCO4)c(=O)c32)c1OC 2249496 ZKAMUOLOYPLABX-KUHUBIRLSA-N 423.469 2.571 50 40 HFGB COc1ccc(CCCC(=O)NCC(=O)N/N=C/c2ccc(Br)o2)cc1 8722619 SROHMMWRDYRYLC-SRZZPIQSSA-N 422.279 2.640 50 40 HFGB COc1ccc(/C=N/NC(=O)c2ccccc2O)cc1Cn1nc(C)c([N+](=O)[O-])c1C 9034163 QCZSCSORZGQFCQ-SSDVNMTOSA-N 423.429 2.935 50 40 HFGB Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)[C@H]3CCCC[C@H]3C(=O)O)cc2)c1 17093556 BBLQGGCTITUIKP-RBUKOAKNSA-N 423.469 2.899 50 40 HFGB N#CCC(=O)N/N=C(\C[C@@]1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccco1 17176562 MNZABRQENXPLLL-CBVHTYNASA-N 407.213 2.550 50 40 HFGB COc1cccc(NC(=O)C(=O)N/N=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1 223155214 ULDODPIYPJPESZ-MTJSOVHGSA-N 408.370 2.952 50 40 HFGB COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccc(Cl)cc1)S(C)(=O)=O 408786379 IUJFXVCDLKAVMH-RGVLZGJSSA-N 409.895 2.573 50 40 HFGB Cc1cccc(NC(=O)C(=O)N/N=C/c2ccccc2I)c1 3084090 HFQIWBAPLXYRFB-VCHYOVAHSA-N 407.211 2.688 50 40 HFGB C/C(=N\NC(=O)CN(c1c(C)cccc1C)S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 4502922 CWVSXXPXMUVVQW-HMMYKYKNSA-N 418.475 2.518 50 40 HFGB COc1cc(C(=O)NCC(=O)N/N=C(/C)c2ccc(Cl)cc2)cc(OC)c1OC 4815392 IGFYHQDYKLTGSA-FMCGGJTJSA-N 419.865 2.636 50 40 HFGB O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NNC(=O)c1ccc(Cl)cc1 5317763 ZWWVQMPXSLYKJG-UHFFFAOYSA-N 408.163 2.635 50 40 HFGB COc1cc(OC)c(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)c(OC)c1 5634275 RBIMJHNWNHQPLR-KEBDBYFISA-N 400.460 2.831 50 40 HFGB COc1ccc(OC)c(NC(=O)C(=O)N/N=C/c2cccc(Br)c2)c1 59434217 SLFHYLXEKLXYJC-VXLYETTFSA-N 406.236 2.555 50 40 HFGB C#CCOc1c(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)cc(Br)cc1OC 408820739 YJQAUMUDVNVELW-FCONWMNKSA-N 419.275 2.672 50 40 HFGB CCOc1ccc(-n2nc(C(=O)N/N=C\c3ccccc3)c(C)c(C#N)c2=O)cc1 409062385 SUFMHDVJZIBUCV-OYKKKHCWSA-N 401.426 2.575 50 40 HFGB CC(C)COc1ccc(/C=N/NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)cc1 409124984 CYFNCWOMCKHWTE-WSDLNYQXSA-N 421.494 2.777 50 40 HFGB COc1cc(-c2n[nH]c3c2[C@@H](c2ccncc2)C(C#N)=C(N)O3)cc(OC)c1OC 5092555 JVJJILJFFFYBEG-INIZCTEOSA-N 405.414 2.716 50 40 HFGB COc1ccc(O[C@@H](C)C(=O)NNC(=O)[C@H](C)Nc2nc3ccccc3s2)cc1 11374912 KWIQWMIHEGAADX-STQMWFEESA-N 414.487 2.720 50 40 HFGB COc1ccc(O[C@@H](C)C(=O)NNC(=O)[C@@H](C)Nc2nc3ccccc3s2)cc1 11374918 KWIQWMIHEGAADX-OLZOCXBDSA-N 414.487 2.720 50 40 HFGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(O)c([N+](=O)[O-])c2)c([N+](=O)[O-])c1 98087419 WJJGYPHCFQPVPD-VZUCSPMQSA-N 414.330 2.771 50 40 HFGB N#C/C(=C\c1ccc(OCC(N)=O)c(Br)c1)C(=O)Nc1ccc(O)cc1 409226033 SJCZRJDDVXFICZ-KPKJPENVSA-N 416.231 2.564 50 40 HFGB COc1cc(/C=N/NC(=O)C[C@H]2CCS(=O)(=O)C2)ccc1OCc1ccccc1 4749945 AVRRGSMHSDNNTF-MNOULKQQSA-N 416.499 2.549 50 40 HFGB COc1c(O)cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccccc4)c32)cc1[N+](=O)[O-] 8783199 IGKWDYASPQKCRB-OAHLLOKOSA-N 405.370 2.917 50 40 HFGB CCOC(=O)c1c(C)oc2nc(COC(=O)/C(C#N)=C\c3ccc(O)cc3)nc(N)c12 72314623 OCLVIMRXUUTTNI-JYRVWZFOSA-N 422.397 2.646 50 40 HFGB Cc1ccc(OCCOc2ccccc2/C=N/NC(=O)Cc2nnc(N)s2)cc1 1819795 FRGRDRZUOHMMNH-LPYMAVHISA-N 411.487 2.579 50 40 HFGB C[C@@H]1CCc2sc(C(=O)NNC(=O)N(C)C[C@H]3COc4ccccc4O3)cc2C1 9532447 RNHIWKNTZRUHDK-HIFRSBDPSA-N 415.515 2.999 50 40 HFGB O=C(Cl)[C@H]1CC(=O)N(c2ccc(N3CCN(C(=O)c4ccccc4)CC3)cc2)C1 45957366 WFORIFBVRQGSNY-KRWDZBQOSA-N 411.889 2.767 50 40 HFGB C[C@H](Oc1ccc(/C=C(/C#N)C2=NN(c3ccccc3)[C@@H](N)[C@@H]2C#N)cc1)C(=O)O 59250035 GSHFNTUKBQUQMD-HDJWZCJESA-N 401.426 2.746 50 40 HFGB O=C(COc1ccccc1)NNC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 408636988 FAURYLOTOXWXRS-UHFFFAOYSA-N 418.862 2.709 50 40 HFGB COc1cccc(C(=O)N2CCC(C(=O)N/N=C/c3cccc([N+](=O)[O-])c3)CC2)c1 409006086 LUEPLVUGQDFNBL-HYARGMPZSA-N 410.430 2.606 50 40 HFGB COc1ccc(C(=O)N/N=C/c2cc(Br)c(OC)cc2OC)c(O)c1 409389779 ADGYUJUIEGICCF-DJKKODMXSA-N 409.236 2.944 50 40 HFGB COc1cc([C@@H]2[C@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)ccc1OC(C)C 808830 VDVBWVDRBZPWKZ-GHTZIAJQSA-N 403.486 2.838 50 40 HFGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccncc4)c(=O)c32)cc1 1471776 CIMXOJMHQYYQBR-HXUWFJFHSA-N 400.438 2.827 50 40 HFGB Cc1ccc(OCC(=O)N/N=C/c2cc([N+](=O)[O-])cc(Br)c2O)cc1 3102655 RXIRYZVOQYBDGI-QGMBQPNBSA-N 408.208 2.900 50 40 HFGB C=CCn1c(SCC(=O)NNC(=O)c2cc(Cl)ccc2OC)nnc1C1CC1 32945572 BJTNYECXYTWKOR-UHFFFAOYSA-N 421.910 2.557 50 40 HFGB Cc1ccccc1N(CC(=O)N/N=C/c1ccccn1)S(=O)(=O)c1ccccc1 59472745 HQQJETQEQCQXCP-HZHRSRAPSA-N 408.483 2.736 50 40 HFGB CCOc1ccc(CC(=O)N/N=C\c2cc(Cl)c(OCC(=O)O)c(OC)c2)cc1 408712022 WCCJWMVGONBNBF-JJFYIABZSA-N 420.849 2.904 50 40 HFGB O=C(NNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1ccc2ccccc2n1 23716770 RMPBKWAIWGFNTI-UHFFFAOYSA-N 411.361 2.757 50 40 HFGB CCOc1cc(/C=C(\C#N)C(=O)N[C@H](C)CC)cc(Br)c1OCC(N)=O 408801418 AQLJDRCDVSZUCO-XXLSNGBASA-N 424.295 2.534 50 40 HFGB Cc1ccc(-n2nc(C(=O)N/N=C\c3cccc(O)c3)c(C)c(C#N)c2=O)cc1Cl 409062020 LWDGSNPRAFEKKF-MYKKPKGFSA-N 421.844 2.844 50 40 HFGB O=C(Cc1ccc2c(c1)OCCO2)N/N=C\c1ccc(I)cc1 409362713 JXEOMBVCMVBKNJ-ODLFYWEKSA-N 422.222 2.755 50 40 HFGB CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccccc3OCC)[C@@H]2C1 803634 ZNFNTFBRASLXIW-UYAOXDASSA-N 417.469 2.967 50 40 HFGB O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1cccc(OC(=O)c2ccco2)c1 1433996 SRFQAHLBLUQLEH-CIAFOILYSA-N 409.354 2.936 50 40 HFGB CCN(CC)c1ccc(/C=N/NC(=O)COc2ccc(C)cc2[N+](=O)[O-])c(O)c1 13847796 QGPRVGGNGHFTOR-CIAFOILYSA-N 400.435 2.984 50 40 HFGB CCc1[nH]nc2c1[C@@H](c1cc(Br)c(OC)c(OC)c1)C(C#N)=C(N)O2 35325994 LGBMSNFOINSSEJ-ZDUSSCGKSA-N 405.252 2.970 50 40 HFGB Cc1ccc(C(=O)NNC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1 408614804 IFXOMKCXXMSMQO-CQSZACIVSA-N 416.275 2.572 50 40 HFGB O=C(O)COc1ccc(/C=N/NC(=O)c2cccc(I)c2)cc1 408748585 FPMVVGUYASWQKD-GIJQJNRQSA-N 424.194 2.519 50 40 HFGB O=C(N/N=C/c1ccc(F)cc1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 408972375 SKHBRHRWQRCUHI-LPYMAVHISA-N 407.442 2.516 50 40 HFGB Cc1ccccc1OCC(=O)NNC(=O)COc1ccc(Br)cc1C 4568519 VJMVQDBOOJQAMU-UHFFFAOYSA-N 407.264 2.671 50 40 HFGB COc1ccc2c(c1OC)C(=O)O[C@H]2NNC(=O)c1ccc(Br)cc1 5375467 QRRFJPFDGHLWKZ-MRXNPFEDSA-N 407.220 2.570 50 40 HFGB O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)NNC(=O)c1ccccc1 5376090 WWEDTWMOTACFFV-NTCAYCPXSA-N 415.496 2.722 50 40 HFGB COc1ccc(NC(=O)CNNC(=O)COc2ccccc2Cc2ccccc2)cc1 6566274 YEBBQXJEBRWLOZ-UHFFFAOYSA-N 419.481 2.924 50 40 HFGB CCCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(C)cc1C 6647947 HHVXSFMWXVMQLA-AFUMVMLFSA-N 424.501 2.687 50 40 HFGB CC1(C)C(C#N)=C(SCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])NC(=O)[C@H]1C#N 9255574 QQOALLPPNLSMAV-SNVBAGLBSA-N 419.850 2.951 50 40 HFGB COc1ccccc1NCC(=O)N/N=C1\C(=O)Nc2cc(Br)c(C)cc21 12446962 RNBIMKTVOVMGSC-UHFFFAOYSA-N 417.263 2.651 50 40 HFGB O=C(NNS(=O)(=O)c1cccc(OC(F)(F)F)c1)c1cc2c(s1)CCC2 22957999 ZBJJWPNSOZHCPR-UHFFFAOYSA-N 406.407 2.759 50 40 HFGB O=C1[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C(=O)N1c1ccccc1O 100537468 MTFVELSRMDRANT-WJERQEJZSA-N 415.081 2.675 50 40 HFGB COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(C)n(C)c(=O)c21 2342375 RDYPMTRCBVPSBA-HNNXBMFYSA-N 402.248 2.683 50 40 HFGB CC(C)c1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2cccs2)cc1 9496766 ILTRNDGGHYLYBU-UFFVCSGVSA-N 422.474 2.848 50 40 HFGB C/C(=N\NC(=O)CN(c1ccccc1Cl)S(C)(=O)=O)c1ccc([N+](=O)[O-])cc1 20493212 LHBIGTUXVDVZPR-XDHOZWIPSA-N 424.866 2.555 50 40 HFGB Cc1ccc(C(=O)[C@H](C)OC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)cc1 408685638 PPJCYNNADRKADN-HBZAWQQLSA-N 407.260 2.680 50 40 HFGB CN(C)c1cccc(C(=O)N/N=C/c2cc([N+](=O)[O-])cc(Br)c2O)c1 409068635 BJPMRSXGJTYDEL-GIJQJNRQSA-N 407.224 2.893 50 40 HFGB COc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2C)c(OC)c1 2320051 HQURXCHCRHSLIP-CIAFOILYSA-N 411.487 2.742 50 40 HFGB CC(C)CC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)C2CCCCC2)cc1 4657147 IGOXUGHSJIZOMT-UHFFFAOYSA-N 404.536 2.887 50 40 HFGB O=C(CNC(=O)c1cccs1)NNC(=O)c1ccc(COc2ccccc2)cc1 6599886 RCKMTEDLNOZUON-UHFFFAOYSA-N 409.467 2.518 50 40 HFGB Cc1cc(C)cc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NCC(C)C)c2)c1 6610127 CUFHKHUCRNDWSQ-DHRITJCHSA-N 424.501 2.543 50 40 HFGB O=C(N/N=C\C(Cl)=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1C(=O)O 85939491 CRMQGTZUFQNKGI-RBAGVUPRSA-N 416.777 2.613 50 40 HFGB CC1=CC(=O)[C@H](Br)[C@@H](Br)/C1=N\S(=O)(=O)c1ccccc1 101028294 HSRUWLRUPQEIPE-FNZKRBGKSA-N 421.110 2.872 50 40 HFGB CCOc1cc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)cc(Br)c1O 409048501 OXXIVKBNJHEAFT-AWQFTUOYSA-N 421.247 2.975 50 40 HFGB COc1cc(/C=N/NC(=O)COc2cccc3cccnc23)ccc1O[C@H](C)C(=O)O 9907613 MORQMGCVCQWUSZ-REMUQMNCSA-N 423.425 2.624 50 40 HFGB COC(=O)c1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=C3SC(C#N)=C(N)N32)cc1 408606089 NTXCRHOMLVFWBH-INIZCTEOSA-N 412.471 2.810 50 40 HFGB COc1cc(OC)c(/C=N/NC(=O)c2ccc3c(c2)OCO3)cc1Br 408722967 JPTOXFJKMMMQBW-UFWORHAWSA-N 407.220 2.959 50 40 HFGB COc1cc(/C=N/NC(N)=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 408892582 CRQHBRAMSKLFCQ-UFWORHAWSA-N 423.223 2.947 50 40 HFGB COc1ccccc1OCC(=O)N/N=C\c1cc(Br)cc([N+](=O)[O-])c1O 409087820 KDIKFERVSSZAJM-LSCVHKIXSA-N 424.207 2.601 50 40 HFGB Cc1nnn(-c2nonc2N)c1C(=O)N/N=C/c1c2ccccc2cc2ccccc12 1031063 FXEAVIACPCZYAO-FOKLQQMPSA-N 412.413 2.611 50 40 HFGB O=C(N[C@H](Cc1ccccc1)C(=O)N(CCCl)CCCl)C(Cl)Cl 2043756 OVZZKGPJKBADNJ-GFCCVEGCSA-N 400.133 2.824 50 40 HFGB Cn1cnnc1SCc1ccc(C(=O)N/N=C/c2ccc3c(c2)OCCO3)cc1 2632609 RVQQBYRIJJZUQA-SRZZPIQSSA-N 409.471 2.643 50 40 HFGB COc1ccc(N2C[C@@H](C(=O)N/N=C/c3ccc(Br)cc3)CC2=O)cc1 6645974 RFTAVVZYIQBAKK-FVUPAENESA-N 416.275 2.961 50 40 HFGB COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(C)n(Cc3cccnc3)c(=O)c21 13207194 ZMORBBNGJQUPSV-HXUWFJFHSA-N 400.438 2.827 50 40 HFGB COCCNC(=O)Cn1cc(/C=C(\C#N)C(=O)NC2CCCCC2)c2ccccc21 13425241 RECMVANFFVKZQP-GHRIWEEISA-N 408.502 2.760 50 40 HFGB Cc1nnc(SCC(=O)N/N=C/c2ccc([N+](=O)[O-])s2)n1-c1ccccc1 2738493 BQVHBRRJWSHMQJ-RQZCQDPDSA-N 402.461 2.788 50 40 HFGB COc1cc(OC)cc(C(=O)NNC(=O)/C=C/c2cccc(Br)c2)c1 3423616 YXRYWVIZOQQFDF-VOTSOKGWSA-N 405.248 2.941 50 40 HFGB Cc1ccnc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2C[C@H]3[C@@H](Br)[C@H]2Br)c1 4892817 SMKAHUWIHPYMHD-HGPWQKRLSA-N 414.097 2.672 50 40 HFGB COC(=O)N/N=C/NC(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F 13396100 CYCNQMDGUARDOO-UHFFFAOYSA-N 417.262 2.598 50 40 HFGB COc1ccc(C(=O)Nc2nnc(CC(=O)N/N=C/c3ccc(F)cc3)s2)cc1 17160166 KBWWJYJWIRSQFR-SRZZPIQSSA-N 413.434 2.631 50 40 HFGB O=C(CCn1c(=S)[nH]c2ccccc2c1=O)NNC(=O)c1ccc(Cl)cc1 27638872 YLAWSYFBXNKPLY-UHFFFAOYSA-N 402.863 2.564 50 40 HFGB COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCC#N 59332899 ZZUMNMFESJXWOZ-CYVLTUHYSA-N 402.454 2.853 50 40 HFGB C/C(NNC(=O)C1CC1)=C1/C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 112125872 RYDUXLCZNIPFQA-AQTBWJFISA-N 405.414 2.651 50 40 HFGB CC[C@H](OC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br)C(=O)c1ccccc1 408681210 HJADJFQXCZEBFG-YBISVOHQSA-N 407.260 2.762 50 40 HFGB COc1ccc(CC(=O)N/N=C\c2ccc(O)c(I)c2)cc1 408964896 TUGZMHIWUYUAPV-ZDLGFXPLSA-N 410.211 2.698 50 40 HFGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(C[C@@H]4CCCO4)c(=O)c32)cc1OC 1476108 NXWOKGMJJYVALM-MGPUTAFESA-N 423.469 2.571 50 40 HFGB COc1ccc(C[C@@H]2S/C(=C(/C#N)C(N)=O)N(c3cccc(OC)c3)C2=O)cc1 2395823 WLSMSXZBSVGWFK-HGBKYHTQSA-N 409.467 2.615 50 40 HFGB Cc1cccc(N2C(=O)[C@H]3[C@@H]4C[C@@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)n1 4892822 BFBQOWQCOPVYPS-SOVHRMDPSA-N 414.097 2.672 50 40 HFGB CC1=C(C#N)C(=O)N(CCN2CCOCC2)C(=O)/C1=C\Nc1ccc2ccccc2c1 9423002 FTKMWPRROYVJAY-JWGURIENSA-N 416.481 2.677 50 40 HFGB CCCOc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)cc1 20207938 CSDUNYDYOZOUOA-KGENOOAVSA-N 403.504 2.700 50 40 HFGB COc1cc(/C=N\NC(=O)c2ccc3c(c2)OCO3)cc(Br)c1OC 32138793 BENAKWXFRDIMAS-UWVJOHFNSA-N 407.220 2.959 50 40 HFGB O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1ccc(-c2ccccc2C(=O)O)o1 408726483 NXEAXDGAICYJQA-AUEPDCJTSA-N 407.382 2.936 50 40 HFGB COc1ccc(C(=O)Nc2ccccc2C(=O)NNC(=O)Cc2ccccc2)cc1 408997709 OBZZJDZLDKQROL-UHFFFAOYSA-N 403.438 2.951 50 40 HFGB CN(C)c1ccc(/C=N/NC(=O)CNC(=O)COc2ccc(Cl)cc2Cl)cc1 3666175 MIJBIKUKLJCITL-AUEPDCJTSA-N 423.300 2.705 50 40 HFGB COC(=O)Cc1ccc(NC(=S)NNC(=O)c2ccccc2Br)cc1 8684636 AUIXQAAOZSPOPJ-UHFFFAOYSA-N 422.304 2.796 50 40 HFGB CC(C)(C)OC(=O)/C(C#N)=C1\CC[C@H]([C@H]2CC/C(=C(/C#N)C(=O)OC(C)(C)C)N2)N1 19312949 MQYOUGDNKUGORR-BYKFRXHUSA-N 414.506 2.729 50 40 HFGB C#CCN1CCCC[C@@H]1C(=O)NNc1nnc(-c2ccccc2)n1-c1ccccc1 72277117 CYHCBSYHGGHZBE-HXUWFJFHSA-N 400.486 2.865 50 40 HFGB O=C(CCl)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1cc(Cl)ccc1Cl 101315956 UUBADZBZTOKRTR-CVQDRVJJSA-N 413.735 2.834 50 40 HFGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)c(O)c(OC)c2)cc1 409251432 PTUUOTKIUKXPAV-SRZZPIQSSA-N 403.822 2.708 50 40 HFGB O=C(CCCNC(=O)c1ccc(F)cc1F)NNC(=O)C12CC3CC(CC(C3)C1)C2 14081297 CQAGVIJVHUJJRM-UHFFFAOYSA-N 419.472 2.839 50 40 HFGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(C)c(C)c1C)S(C)(=O)=O 20210574 CGHAEXGMKMSANQ-LPYMAVHISA-N 417.531 2.927 50 40 HFGB COc1ccc(C(=O)NNC(=O)CCc2ccc(OC)c(Br)c2)cc1 24748576 BOXULLXHFXBXEM-UHFFFAOYSA-N 407.264 2.860 50 40 HFGB COc1ccc(N(CC(=O)N/N=C/c2ccc(C)cc2)S(C)(=O)=O)cc1Cl 408780390 BRSRVEZDVGUJHV-RGVLZGJSSA-N 409.895 2.573 50 40 HFGB COc1cc([N+](=O)[O-])cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c1O 408851072 HGPFUGPOMPZWQX-WJDWOHSUSA-N 408.414 2.565 50 40 HFGB COc1ccc(CCCC(=O)N/N=C/c2ccc(OCC(=O)O)c(OC)c2)c(C)c1 408909097 GKISUEYWRITWIL-YDZHTSKRSA-N 414.458 2.949 50 40 HFGB C=C1C(=O)O[C@@H]2/C=C(\COC(C)=O)CC/C=C(\C=O)C[C@H](OC(=O)[C@@H](C)CC)[C@H]12 255897317 ALJXWCROGAMOBL-CDINZSHPSA-N 404.459 2.841 50 40 HFGB biogenic,in-vitro CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(Cl)cc1)c1cccc(Cl)c1 408790909 UITRJMCFJNHQEY-VXLYETTFSA-N 400.287 2.910 50 40 HFGB CCc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)N[C@@H](C)CC)cc1 409270342 POAXKEUIQVRIGF-GCMSVZMUSA-N 424.501 2.631 50 40 HFGB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NNc3nc(C)cc(C)n3)c2)cc1 14513609 GXJZAQNUMQDNCQ-UHFFFAOYSA-N 411.487 2.960 50 40 HFGB C=CCOc1c(I)cc(/C=C(\C#N)C(=O)N(C)C)cc1OC 59333630 BECLKTROTPUWJC-KPKJPENVSA-N 412.227 2.860 50 40 HFGB CCCC(=O)Nc1nnc(CC(=O)N/N=C/c2ccc(N(CC)CC)cc2)s1 59498749 YJZQHJBBGVGKQP-DEDYPNTBSA-N 402.524 2.816 50 40 HFGB Cc1ccc(S(=O)(=O)CCC(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 6049223 HXGUWOBUNLEFPW-UHFFFAOYSA-N 418.559 2.913 50 40 HFGB Cc1nn(CCC(=O)NNC(=S)Nc2ccc(F)cc2)c(C)c1Br 8830397 HKRIRQZBPUMRDO-UHFFFAOYSA-N 414.304 2.809 50 40 HFGB O=C(Cc1csc(-c2ccc(F)cc2)n1)NNS(=O)(=O)c1ccc(F)cc1 13009874 UIDWTUWWNBYMLQ-UHFFFAOYSA-N 409.439 2.641 50 40 HFGB C[C@H](Sc1nnnn1C[C@@H]1CCCO1)C(=O)/C(C#N)=C1/Nc2ccccc2S1 30346805 IGZCWAXLVRAHSZ-HALWSDQMSA-N 414.516 2.855 50 40 HFGB COCCCNC(=O)/C(C#N)=C/c1cc(Br)c(O)c(Br)c1 98068002 WMWTYXFBQBTPAJ-BJMVGYQFSA-N 418.085 2.977 50 40 HFGB COC(=O)c1cc(OC)c(OC)cc1N/C=C(/C#N)C(=O)NCCc1ccccc1 102673266 IIJMDZXXQIARRG-PEZBUJJGSA-N 409.442 2.669 50 40 HFGB CCOc1ccc(N2C[C@@H](C(=O)NNC(=O)c3ccccc3Cl)CC2=O)cc1 6402530 MREXFRARPZZNBE-ZDUSSCGKSA-N 401.850 2.553 50 40 HFGB O=C(NNc1nc2ccc(F)cc2s1)c1ccc(S(=O)(=O)N2CCCC2)cc1 9381825 XBTDFXPVARXWKS-UHFFFAOYSA-N 420.491 2.977 50 40 HFGB O=C(NCCc1ccccc1)C(=O)N/N=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 223163683 DPGKBLVSXXFCSI-UCQKPKSFSA-N 406.398 2.664 50 40 HFGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N/NC(=O)c3ccc(F)cc3)o2)cc1 408786530 SCDASZGYXNUNKE-DHRITJCHSA-N 422.416 2.746 50 40 HFGB C[C@H](C(=O)N/N=C/c1ccccc1Br)N(c1ccccc1)S(C)(=O)=O 408907155 LPFUVPLBZHQNRM-KZKLBEMASA-N 424.320 2.754 50 40 HFGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cccc(C)c2C)c1 409258099 RINJJCIZRAKGBR-ANDSAHIGSA-N 424.501 2.686 50 40 HFGB Cc1cccc(C)c1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NCC(C)C)cc1 6868085 GUAKHYLOURJQRB-DHRITJCHSA-N 424.501 2.543 50 40 HFGB CN1C(=C(C#N)C(=O)CSc2nnnn2Cc2cccs2)N(C)c2ccccc21 29744634 OTCJAEDPCMTYFW-UHFFFAOYSA-N 423.527 2.765 50 40 HFGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccn2)c2ccccc2)cc1 408843865 SQDPITZPILEOJQ-HZHRSRAPSA-N 408.483 2.736 50 40 HFGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(O)c([N+](=O)[O-])c1)c1ccccc1 408977951 GGAVYDFGDJXZON-SLDJAQPHSA-N 400.391 2.628 50 40 HFGB COc1cc(/C=N/NC(=O)c2ccccc2Br)ccc1OCC(=O)O 5558450 OSTHSAGKNUSTBX-DJKKODMXSA-N 407.220 2.685 50 40 HFGB CCn1c(C)nc2cc(C(=O)NNC(=O)NCCc3cc(C)ccc3OC)ccc21 9470975 XVHXLRXYZYQLDN-UHFFFAOYSA-N 409.490 2.868 50 40 HFGB O=C(Nc1ccccc1C(=O)NNC(=O)c1ccccc1C(=O)O)c1ccccc1 27825445 ZVDSKQXJRAXQIX-UHFFFAOYSA-N 403.394 2.712 50 40 HFGB Cc1ccc(OCCOc2cccc(/C=N/NC(=O)Cc3nnc(N)s3)c2)cc1 2287993 ZCEDEFGIVDZSOK-LPYMAVHISA-N 411.487 2.579 50 40 HFGB O=C(COCC(=O)N/N=C\c1ccc(Cl)cc1)N/N=C\c1ccc(Cl)cc1 31769637 ZTMZXURRIBELNH-KGIZCEIGSA-N 407.257 2.610 50 40 HFGB CC(=O)[C@H]1CC[C@@H]2[C@]1(C)C[C@H]1O[C@]13[C@@]1(C)CCC(=O)C[C@]14C=C[C@]23[C@H]1C(=O)OC(=O)[C@@H]14 118936380 WNFIGTUQYIFFFM-TVMYKCQZSA-N 424.493 2.781 50 40 HFGB COC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC 408795689 VXQBWRPKGPJLSQ-RIYZIHGNSA-N 411.370 2.701 50 40 HFGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)NC[C@@H]3CCCO3)c2C)cc1Cl 408969375 MVRLEMKBBDSWBL-DAFNMPDCSA-N 416.909 2.801 50 40 HFGB Cc1ccc(N(CC(=O)N/N=C/c2ccccc2C(F)(F)F)S(C)(=O)=O)cc1 409185681 ONUYDBGRAGODID-SSDVNMTOSA-N 413.421 2.930 50 40 HFGB N#Cc1ccc(OCC(=O)NNC(=O)c2ccc(OCc3ccccc3)cc2)cc1 3350968 VGRNAJVSUZFCKJ-UHFFFAOYSA-N 401.422 2.977 50 40 HFGB O=C(NNC(=O)c1cc(-c2ccccc2)n[nH]1)c1ccc(OC[C@H]2CCCO2)cc1 6508671 ISMFIXXJYPXTSD-GOSISDBHSA-N 406.442 2.709 50 40 HFGB Cc1cc(C(=O)O)cc(S(=O)(=O)NNC(=O)c2oc3ccccc3c2C)c1C 13079304 ZEZWPBQALYDGOX-UHFFFAOYSA-N 402.428 2.680 50 40 HFGB COc1ccc(/C=N\NC(=O)C(=O)Nc2cccc(Br)c2)c(OC)c1 13550690 OLUKHIRSSMBAPP-GRSHGNNSSA-N 406.236 2.555 50 40 HFGB CCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(OCC)c1 408613404 ZNSFTEFBYRHUCW-FSJBWODESA-N 403.866 2.904 50 40 HFGB C[C@H](C(=O)N/N=C/c1cccc(Br)c1)N(c1ccccc1)S(C)(=O)=O 408922703 QWIZSDRRIQYONH-KZKLBEMASA-N 424.320 2.754 50 40 HFGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(C)cc2C)c1 409259605 BHMYDIHEEAJMBO-PDERCVKFSA-N 424.501 2.686 50 40 HFGB COc1ccc(CCCC(=O)NCC(=O)N/N=C/c2cc(Cl)ccc2OC)cc1 2121998 NAUJZLKXLGMXSI-ZMOGYAJESA-N 417.893 2.946 50 40 HFGB Cc1occc1C(=O)NNC(=S)NC(=O)COc1ccc(Cl)cc1Cl 2135557 JZKLVKCFONECGE-UHFFFAOYSA-N 402.259 2.609 50 40 HFGB COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Br)c2)cc1OC 3060548 VEAUPEMAHDSZTB-VXLYETTFSA-N 406.236 2.555 50 40 HFGB O=C(N/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1cc(Br)ccc1O 8756656 JJLDILSYHJQRRL-FRKPEAEDSA-N 409.152 2.735 50 40 HFGB O=C(NN/C=C1\C(=O)N(c2cccc3ccccc23)C(=O)N=C1O)c1ccccc1O 9299931 SNMRXNKOTQBXFI-VBKFSLOCSA-N 416.393 2.787 50 40 HFGB Cc1ccc(C)c(Cn2c(=O)c3c(nc4n(CCCl)c(C)c(C)n34)n(C)c2=O)c1 10104441 AEFLHSJWUVFXCW-UHFFFAOYSA-N 413.909 2.670 50 40 HFGB CCn1c(C)nc2cc(C(=O)N/N=C3/CCS(=O)(=O)c4ccc(F)cc43)ccc21 96681390 ADNKTIPQPCGHTR-KQWNVCNZSA-N 414.462 2.815 50 40 HFGB O=C(COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)c1ccccc1)NNC(=O)c1ccccc1 136522936 NTFYUCIINNIMDJ-JYAXBFRTSA-N 420.465 2.536 50 40 HFGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(N)=O)cc2Br)cc1 408898000 JRMMUKBAVJYJFN-GIJQJNRQSA-N 412.265 2.527 50 40 HFGB O=S(=O)(c1ccc(Br)c2nsnc12)N(CCCl)CCCl 677060 ODBIDCGKDICWLB-UHFFFAOYSA-N 419.153 2.922 50 40 HFGB N#C/C(=C\c1ccc(OCC(N)=O)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 4953692 SMICQHKGRKSMEE-KPKJPENVSA-N 400.778 2.658 50 40 HFGB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NNC(=O)c1cc2c(s1)CCCCC2 21971007 DUPNSJFIDPVMEI-UHFFFAOYSA-N 412.515 2.588 50 40 HFGB CC[C@H](C)C(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 22415274 OWZYMLPNKNOCGB-LBPRGKRZSA-N 409.895 2.948 50 40 HFGB C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Br)c1OCC(=O)OC 59334836 HAAZGAPNKJCBOY-ZSOIEALJSA-N 407.264 2.725 50 40 HFGB N#CC(C#N)=C(Nc1ccccc1)S[C@@H]1CC(=O)N(c2ccc(C(N)=O)cc2)C1=O 113481226 CGECJORRASYSQK-QGZVFWFLSA-N 417.450 2.521 50 40 HFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(F)cc1)c1cccc(C(F)(F)F)c1 408784023 ROSWTXMZFJHTNK-LSHDLFTRSA-N 417.384 2.761 50 40 HFGB COc1cccc(/C=N\NC(=O)COc2cccc(Cl)c2)c1O[C@H](C)C(=O)O 409255792 ZQKRDJQWEIINRR-RRSAXVHRSA-N 406.822 2.730 50 40 HFGB CCCN1CC=C2[C@@H](C1)[C@@H](c1ccc(C(=O)OC)cc1)C(C#N)=C(N)C2(C#N)C#N 20026591 USDIPFAPKZSUDR-QUCCMNQESA-N 401.470 2.609 50 40 HFGB CCc1ccccc1N(CC(=O)N/N=C/c1c(F)cccc1Cl)S(C)(=O)=O 20208986 JNQZFIWFPRQAPM-SRZZPIQSSA-N 411.886 2.958 50 40 HFGB COc1cc(C(=O)NNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)ccc1OC(C)C 52950898 WZDIYDOCVHLFJL-UHFFFAOYSA-N 412.402 2.947 50 40 HFGB CCOc1cc(/C=C(\C#N)C(=O)N[C@@H](C)CC)cc(Br)c1OCC(N)=O 408801414 AQLJDRCDVSZUCO-HOVAHTAHSA-N 424.295 2.534 50 40 HFGB COc1ccc(SCC(=O)N/N=C\c2ccc(N3CCOCC3)cc2OC)cc1 409228685 CNQVEQDTUFOGNF-HMAPJEAMSA-N 415.515 2.783 50 40 HFGB Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)NC(N)=O)cc2Cl)cc1 409241834 VESUPLVYGWZENW-ZSOIEALJSA-N 412.833 2.768 50 40 HFGB Cc1ccc(C(=O)NNC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C)cc1 651075 YEVYQAUAILHLRL-UHFFFAOYSA-N 415.906 2.997 50 40 HFGB Cc1ccnc(N2C(=O)[C@H]3[C@@H]4C[C@@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)c1 4892818 SMKAHUWIHPYMHD-SOVHRMDPSA-N 414.097 2.672 50 40 HFGB COc1ccc2c(C)cc(NNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)nc2c1 6101474 WSAQEEPCUDNHMW-UHFFFAOYSA-N 414.487 2.559 50 40 HFGB COc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc5c(c4)OCO5)c32)cc1O 8567743 GFIDDVAJKKJSBU-KRWDZBQOSA-N 404.382 2.738 50 40 HFGB CCOc1cccc2sc(NNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)nc12 9381757 LAUSKRPFJLIWJC-UHFFFAOYSA-N 420.516 2.702 50 40 HFGB O=C(NNc1nc2ccccc2s1)c1ccc(S(=O)(=O)N2CCCC2)cc1 18191744 UPDSOJSLVPDNLX-UHFFFAOYSA-N 402.501 2.838 50 40 HFGB CCCCCCC(=O)Nc1nnc(CC(=O)N/N=C/c2ccc(O)c(O)c2)s1 408731148 KUHYQTVBECHQPJ-YBFXNURJSA-N 405.480 2.551 50 40 HFGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1)c1cccc(Cl)c1Cl 408907227 NBYBQIFCEBSFBI-VXLYETTFSA-N 400.287 2.910 50 40 HFGB O=C1[C@@H]2[C@@H]3C[C@@H]([C@@H](Br)[C@H]3Br)[C@@H]2C(=O)N1c1ccccc1O 2067967 MTFVELSRMDRANT-CWPTYNHPSA-N 415.081 2.675 50 40 HFGB NS(=O)(=O)c1cc(C(=O)N/N=C2\CCSc3ccc(F)cc32)ccc1Cl 13063110 CFZXMVSYEFJSIW-DEDYPNTBSA-N 413.883 2.756 50 40 HFGB CCOc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCC(=O)O)c(OC)c2)cc1 20763892 DGLMHLBTGFZBHJ-UFFVCSGVSA-N 406.822 2.975 50 40 HFGB Cc1ccc(/C=N\NC(=O)/C(=C\Nc2nccc(C)n2)NC(=O)c2ccccc2)cc1 100141246 SCYWEYFTRDVNBQ-GBLDUJJRSA-N 414.469 2.927 50 40 HFGB CCc1ccc(-n2nc(C(=O)N/N=C\c3ccccc3OC)c(C)c(C#N)c2=O)cc1 409057857 LMPSKDLZEPGAJY-QFEZKATASA-N 415.453 2.748 50 40 HFGB COc1ccc(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 1384012 PYZUZIGRSIMUKD-PXLXIMEGSA-N 415.515 2.555 50 40 HFGB O=C1[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C(=O)N1c1ccccc1O 102630474 PCMVWTQSMHUDDE-KYXWUPHJSA-N 403.070 2.819 50 40 HFGB COc1ccc(/C(C)=N/NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)cc1 408777764 ICRCCGQHHUDBFJ-LTGZKZEYSA-N 403.504 2.618 50 40 HFGB COc1ccc(OCC(=O)N/N=C\c2cc(OC)c(N3CCCC3)cc2OC)cc1 409103014 CKPCDHMSZBKFNE-UCQKPKSFSA-N 413.474 2.842 50 40 HFGB C/C(=N\NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1ccccc1O 4565075 SXHOAZXMIVHVMB-CJLVFECKSA-N 415.515 2.642 50 40 HFGB COc1ccc2c(c1OC)C(=O)O[C@@H]2NNC(=O)c1ccc(Br)cc1 5375466 QRRFJPFDGHLWKZ-INIZCTEOSA-N 407.220 2.570 50 40 HFGB Cn1c(SCC(=O)NNC(=O)c2ccccc2F)nnc1-c1ccccc1Cl 9666380 ZEJWBZHVJZFANQ-UHFFFAOYSA-N 419.869 2.828 50 40 HFGB C=CCOc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 16186958 WMLNXYHCXTUOMQ-FYJGNVAPSA-N 421.906 2.676 50 40 HFGB Cc1ccc(OCC(=O)N/N=C2/C(=O)N(C)c3ccc(C)cc32)c(Br)c1 18157108 OQDXZIVGODDMPP-RELWKKBWSA-N 416.275 2.942 50 40 HFGB C[C@H](NC(=O)C(=O)N/N=C/c1cc2c(cc1Br)OCO2)c1ccccc1 59515599 HXESQYWYANLHSX-QQZXWGPFSA-N 418.247 2.505 50 40 HFGB CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C/Nc1ccccc1C(C)C 102676140 YPWHLNCUJKYATA-CLXYIWAZSA-N 413.499 2.502 50 40 HFGB COc1ccc(-n2nc(C(=O)N/N=C\c3ccccc3Cl)c(C)c(C#N)c2=O)cc1 409058941 PLPXDRAHKWWJEC-MSXFZWOLSA-N 421.844 2.839 50 40 HFGB COc1ccc(/C=N/NC(=O)[C@H](C)NC(=O)C23CC4CC(CC(C4)C2)C3)c(OC)c1 5524825 MRRDCDPSLCOUII-YNHJGGOUSA-N 413.518 2.875 50 40 HFGB CSc1ccc(/C=N/NC(=O)CNS(=O)(=O)c2c(C)cc(C)cc2C)cc1 6607314 JCVCURSSJGFXMC-RGVLZGJSSA-N 405.545 2.762 50 40 HFGB CCCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(C)cc2C)c1 6647900 OOWLBJGRGHDTSY-AFUMVMLFSA-N 424.501 2.687 50 40 HFGB CCCn1c(=O)n(CC(=O)NNC(=O)Cc2cccc3ccccc23)c2ccccc21 12644024 RKMGQDPUBCIOQG-UHFFFAOYSA-N 416.481 2.756 50 40 HFGB CNc1ccc(C(=O)c2ccccc2C(=O)NNC(=O)c2ccco2)cc1[N+](=O)[O-] 12729369 VLOGMXQVYUBKPB-UHFFFAOYSA-N 408.370 2.535 50 40 HFGB O=C(CSc1ncccn1)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1 28215064 YRSZBMBIOCXUIW-ZMOGYAJESA-N 421.482 2.737 50 40 HFGB CC1=CC(=O)[C@H](Br)[C@H](Br)/C1=N\S(=O)(=O)c1ccccc1 101028290 HSRUWLRUPQEIPE-OEEGZLJJSA-N 421.110 2.872 50 40 HFGB Cc1ccc(C(=O)NNC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1 408614803 IFXOMKCXXMSMQO-AWEZNQCLSA-N 416.275 2.572 50 40 HFGB COc1cc(/C=N/NC(=O)Cc2nnc(N)s2)ccc1OCc1ccc(F)cc1 1300303 COGOVVCXIJXLGB-LSHDLFTRSA-N 415.450 2.540 50 40 HFGB Cc1cc2c(c(=O)n1Cc1cccnc1)[C@H](c1cccc([N+](=O)[O-])c1)C(C#N)=C(N)O2 2240702 VUXQMGTXYXGBFM-LJQANCHMSA-N 415.409 2.726 50 40 HFGB CCn1c(SCC(=O)NNC(=O)c2ccco2)nnc1-c1ccc(Cl)cc1 5309160 RJSGDVKEYXYVIF-UHFFFAOYSA-N 405.867 2.765 50 40 HFGB CCc1sc(C(=O)NCC(=O)NNC(=O)[C@H](C)Oc2cccc(C)c2C)cc1C 12932970 HEFMIJXSSRFQGQ-HNNXBMFYSA-N 417.531 2.580 50 40 HFGB C/C(=N\NC(=O)CN(c1cccc(Br)c1)S(C)(=O)=O)c1ccccc1 20060501 JNIRQLNRHYYPAV-CPNJWEJPSA-N 424.320 2.756 50 40 HFGB COc1cc([N+](=O)[O-])cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c1O 408904957 RBENLGRTTZEVGI-LSCVHKIXSA-N 400.303 2.727 50 40 HFGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)cc(Cl)c1O 409258233 SBLCOHTVKYXGBQ-FOKLQQMPSA-N 403.866 2.944 50 40 HFGB CCN(CC)c1ccc(/C=N\NC(=O)CN2CCN(Cc3ccccc3)CC2)cc1 32576944 NHITXAYGLJKRIZ-BWAHOGKJSA-N 407.562 2.801 50 40 HFGB C/C(N)=C(\C#N)C(=O)COC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O 103128739 QFUGJLYLWOUXEW-PTNGSMBKSA-N 423.812 2.623 50 40 HFGB C/C(=N\NC(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O)c1ccccc1O 408771165 DDEXSLQHUKDDLD-DEDYPNTBSA-N 409.895 2.660 50 40 HFGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N/NC(=O)c3ccccc3)o2)cc1C 408776107 UFJQTDPCFXBVDX-AFUMVMLFSA-N 418.453 2.915 50 40 HFGB COc1cc(/C=N/NC(=O)Cc2nnc(N)s2)ccc1O[C@H](C)c1ccccc1 2251625 ZZPNMLFAGIZPEG-UMYHVIPVSA-N 411.487 2.962 50 40 HFGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(C[C@H]4CCCO4)c(=O)c32)c(OC)c1 2255946 MCDOYFQBYVYIAF-FOIQADDNSA-N 423.469 2.571 50 40 HFGB C[C@H]1C(C#N)=C(SCC(=O)Nc2ccc(Br)cc2)NC(=O)[C@H]1C#N 8973515 YWVULHSUJRJAKQ-SKDRFNHKSA-N 405.277 2.762 50 40 HFGB O=C(NNC(=O)c1ccc2ccccc2n1)c1ccc(NC(=O)c2ccccn2)cc1 40115915 HCSAPVNHLZSMBX-UHFFFAOYSA-N 411.421 2.957 50 40 HFGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OC 58884876 WCLFYXMJMBAVAB-RGVLZGJSSA-N 420.263 2.945 50 40 HFGB COc1cc(/C=C/C(=O)NNC(N)=S)ccc1OCc1c(F)cccc1Cl 62715696 UDDKQAGGALROLN-SOFGYWHQSA-N 409.870 2.944 50 40 HFGB C=CCOc1ccc(/C=C2/C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)cc1OC 100962758 SCXXIJVKSOUQEX-LDADJPATSA-N 424.453 2.805 50 40 HFGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1)C(N)=O 408764776 VJCSZSFPZKOXJT-UKTHLTGXSA-N 400.232 2.859 50 40 HFGB CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OC)c(OCC)c1 408909433 UHSZNXAGACDPEO-FSTGKYBXSA-N 413.474 2.901 50 40 HFGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(N)=O)c(Cl)c2)cc1OC 409316280 LYEFEKXMENATPQ-KSEXSDGBSA-N 417.849 2.541 50 40 HFGB N#C/C(=C\c1cn(CC(=O)NC[C@H]2CCCO2)c2ccccc12)C(=O)NC1CCCC1 890527 KATGBNIJOVPWJG-KEWOFRHOSA-N 420.513 2.902 50 40 HFGB C[C@@H](C(=O)N/N=C/c1c(O)ccc2ccccc12)N(c1ccccc1)S(C)(=O)=O 1848582 QJLHDXBHZMZGGD-WXUSHSQQSA-N 411.483 2.850 50 40 HFGB CC(C)(C)c1ccc(C(=O)NNC(=O)c2sccc2S(=O)(=O)NC2CC2)cc1 40069572 DXNOMQCBENFSFR-UHFFFAOYSA-N 421.544 2.561 50 40 HFGB CC1(CC(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)OCCO1 1090913 HJPPZXXYAAJZOD-FRKPEAEDSA-N 422.073 2.520 50 40 HFGB O=C(CCNC(=O)c1ccccc1Cl)NNC(=O)c1ccc(Br)cc1 3372650 PHBOQIBFTJZTML-UHFFFAOYSA-N 424.682 2.684 50 40 HFGB COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(C)n(C[C@H]4CCCO4)c(=O)c32)c1 5055137 KAURVYCJBLSHTP-QRWLVFNGSA-N 423.469 2.571 50 40 HFGB O=C(COC(=O)[C@H]1[C@@H]2C[C@H]3[C@H](OC(=O)[C@@H]31)[C@@H]2Br)c1ccc(Cl)cc1 8475300 FAIPMBWJCYMTIR-XYVIHTCUSA-N 413.651 2.637 50 40 HFGB COc1ccccc1N1CCN(C(=O)C(=O)N/N=C/c2cccc3ccccc23)CC1 59434068 RIITUZUOVYVCHF-KOEQRZSOSA-N 416.481 2.647 50 40 HFGB CCc1ccccc1NC(=O)CN(C)CC(=O)NNC(=O)c1cc(C)c(CC)s1 58108155 UMPPNROXASXVBZ-UHFFFAOYSA-N 416.547 2.513 50 40 HFGB CCOc1ccccc1/C=N\NC(=O)c1nn(-c2ccc(C)cc2)c(=O)c(C#N)c1C 409062484 VNMJFBCCBUGFMA-QFEZKATASA-N 415.453 2.884 50 40 HFGB COc1c(OC(C)=O)ccc(/C=N/NC(=O)COc2c(C)cccc2C)c1[N+](=O)[O-] 1434062 RVWHYTSSRXKRIR-UFFVCSGVSA-N 415.402 2.675 50 40 HFGB CC(C)(C)c1n[nH]c2c1[C@@H](c1ccc(OC(=O)N3CCOCC3)cc1)C(C#N)=C(N)O2 1438027 FYTMMVUGCJEYLF-INIZCTEOSA-N 423.473 2.756 50 40 HFGB COc1ccc(N([C@@H](C)C(=O)N/N=C(\C)CCc2ccccc2)S(C)(=O)=O)cc1 19953802 KJUOMKVWDGUZFX-JMMZKRSASA-N 417.531 2.975 50 40 HFGB COc1ccc(/C(C)=N/NC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 408775543 IAHOUPRPBQSBQT-LTGZKZEYSA-N 403.504 2.618 50 40 HFGB Cc1ccc(NC(=O)C(=O)N/N=C\c2ccc(OCC(=O)NCC(C)C)cc2)cc1C 223153724 NOPMXQICCVJCQJ-MXAYSNPKSA-N 424.501 2.543 50 40 HFGB C=C1C(=O)O[C@@H]2/C=C(\COC(C)=O)CC/C=C(\C=O)C[C@H](OC(=O)CC(C)C)[C@H]12 255897374 SLDSEAYVUCFJOD-SWAQSESSSA-N 404.459 2.841 50 40 HFGB biogenic,in-vitro COc1cc(/C=N/NC(=O)c2cccc(Br)c2)ccc1OCC(=O)O 5879807 AQCFRIMFGPFHPG-DJKKODMXSA-N 407.220 2.685 50 40 HFGB O=C(NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)c1cccs1 7016340 NNPAIDPDZKHQPH-UHFFFAOYSA-N 404.451 2.581 50 40 HFGB Cc1nn(C)c(C)c1[C@H](C)C(=O)NNC(=O)[C@H](C)Oc1cccc(Br)c1 58782019 ACBLUEVCFJGPQU-GWCFXTLKSA-N 423.311 2.518 50 40 HFGB C/C(=N\NC(=O)CN(c1cccnc1)S(=O)(=O)c1ccccc1)c1cccs1 408837346 CRQRTQDQCJPGLS-RCCKNPSSSA-N 414.512 2.879 50 40 HFGB O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1cccc(I)c1 409088563 GGIDSRFFYPMLLS-GIJQJNRQSA-N 408.195 2.713 50 40 HFGB C=C1C(=O)O[C@@H]2C=C(COC(C)=O)CCC=C(C=O)C[C@H](OC(=O)[C@@H](C)CC)[C@H]12 958318572 ALJXWCROGAMOBL-JZOCTASASA-N 404.459 2.841 50 40 HFGB biogenic,in-vitro COc1ccc(Br)cc1/C=N/NC(=O)C(=O)N[C@H](C)c1ccccc1 5532878 WICUCHCKEBHNON-ZICWZVMQSA-N 404.264 2.785 50 40 HFGB CCCN1C(=O)/C(=N/NC(=O)[C@@H](O)c2ccccc2)c2cc(Br)ccc21 5643699 RJWUOCOUWSLACF-QFGIDJEJSA-N 416.275 2.760 50 40 HFGB C[C@@H]1CCc2sc(C(=O)NNC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2C1 9128421 WTRZJYPUJUTUIX-SECBINFHSA-N 404.404 2.764 50 40 HFGB CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(OC)c(OC)c3)[C@H]2C1 13479769 AFJTXIIDCRUZIT-GHTZIAJQSA-N 403.486 2.839 50 40 HFGB C[C@H]1C[C@H]1C(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 17520360 HGRDGERYUQDWHC-MEDUHNTESA-N 407.879 2.558 50 40 HFGB COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@H]3COC(=O)[C@@H]23)OOC4)cc(OC)c1OC 245190518 MYWQJMRXONAHHB-PSAKCFHXSA-N 414.410 2.505 50 40 HFGB CCc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)N[C@@H](C)CC)cc1 409255034 KFNOOBUOGJRNFR-GCMSVZMUSA-N 424.501 2.631 50 40 HFGB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N/N=C/c3ccccc3F)CC2)cc1 705551 HESZAROJAKZVHP-HYARGMPZSA-N 403.479 2.685 50 40 HFGB N#C/C(=C\c1cccc(Br)c1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 778238 NHHUHNVJEJESCZ-XYOKQWHBSA-N 406.261 2.642 50 40 HFGB N#C/C(C(=O)N1CCOCC1)=C1\S[C@H](Cc2ccccc2)C(=O)N1c1ccccc1 2332781 JDEZBWGFYMVYEN-PAYQVUOSSA-N 419.506 2.972 50 40 HFGB CC(/C=N/NC(=O)c1nnn(-c2nonc2N)c1-c1ccc(C)cc1)=C\c1ccco1 2335872 LPJHZRRJVYBZHN-WMBBNROFSA-N 418.417 2.620 50 40 HFGB COc1cc(C(=O)NNC(=O)c2ccccc2Br)cc(OC)c1OC 2629481 JPBDHXCMZTZPAS-UHFFFAOYSA-N 409.236 2.550 50 40 HFGB Cc1cccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)c1 16348936 YADMVSJPYPWJHT-YBFXNURJSA-N 424.320 2.528 50 40 HFGB Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)C(=O)NCc2ccccn2)c1C 58912297 ZSCAOXQTWOAYSG-LGJNPRDNSA-N 403.486 2.872 50 40 HFGB CC1=C(C#N)C(=O)NC(=O)/C1=C\Nc1ccc(S(=O)(=O)Nc2ccccc2C)cc1 100929832 NXXOFMMGPLMDHE-PDGQHHTCSA-N 422.466 2.588 50 40 HFGB CCOc1cc([N+](=O)[O-])cc(/C=N\NC(=O)COc2cccc3cccnc23)c1O 409022971 AFHHRBMDNCVVBL-JJFYIABZSA-N 410.386 2.776 50 40 HFGB CCC(O)(CC)C(=O)N/N=C/c1cc(Br)cc(Br)c1O 1435809 BUFRZQLWLYJKMY-FRKPEAEDSA-N 408.090 2.918 50 40 HFGB CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(F)c(Br)c3)[C@@H]2C1 4730365 NWFFSTCEUOZPMC-PBHICJAKSA-N 412.266 2.943 50 40 HFGB Cc1cccc(N(CC(=O)N/N=C/c2cccc(C(F)(F)F)c2)S(C)(=O)=O)c1 20207665 RVYNDNXHVUKVPA-SSDVNMTOSA-N 413.421 2.930 50 40 HFGB Cc1ccc(NCC(=O)N/N=C/c2cc([N+](=O)[O-])cc(Br)c2O)cc1 36145048 UPCFIORZQSTWBN-UFWORHAWSA-N 407.224 2.934 50 40 HFGB COc1cc(/C=C(/C#N)C(N)=S)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 408543821 RCWIAOFDPHFYIC-QPEQYQDCSA-N 412.427 2.814 50 40 HFGB COc1ccccc1NCCC(=O)NNC(=O)COc1cccc(C(F)(F)F)c1 3303005 XGYDKQGSGDFAGI-UHFFFAOYSA-N 411.380 2.742 50 40 HFGB Cc1cc(OCC(=O)NNC(=S)NC(=O)Cc2ccccc2)cc(C)c1Cl 4691576 VYXXTVJOUJXXCM-UHFFFAOYSA-N 405.907 2.600 50 40 HFGB C=CCOc1c(Br)cc(/C=N/NC(=O)CN2CCCCC2)cc1OC 28217784 WSYZWHXYVMPUMO-UDWIEESQSA-N 410.312 2.959 50 40 HFGB O=C(NNS(=O)(=O)c1cccc2nsnc12)C1CCC(c2ccccc2)CC1 3208339 CRHOUCJBVJGPIR-UHFFFAOYSA-N 416.528 2.975 50 40 HFGB CCOc1ccc(-c2cc(C(=O)N/N=C/c3ccc(O)c(OC)c3)[nH]n2)cc1OC 4677702 JRZXINKRNWCAQP-WSDLNYQXSA-N 410.430 2.962 50 40 HFGB O=S(=O)(c1ccccc1)N1C[C@@H]2C[C@@H](Br)[C@@H](Br)C[C@@H]21 4973079 UVEUJHUBZDYONZ-RYDUCSDGSA-N 409.143 2.997 50 40 HFGB COc1ccc(CCNC(=S)NNC(=O)C(C)(C)c2ccccc2)cc1OC 27598805 MCZOUFRBRWYLIQ-UHFFFAOYSA-N 401.532 2.719 50 40 HFGB O=C(NNC(=O)c1cc(Br)c[nH]1)c1ccc(COCC(F)(F)F)cc1 28717642 AUFZZGHFGNLTPU-UHFFFAOYSA-N 420.185 2.931 50 40 HFGB Cc1ccccc1N1C(=O)NC(=O)[C@@H](/C=N/NC(=O)c2cccc3ccccc23)C1=O 408533536 KAHAYDHITUSAPB-QJTDOHDFSA-N 414.421 2.763 50 40 HFGB CN(C)c1ccc(/C=N\NC(=O)c2cc([N+](=O)[O-])ccc2O)cc1Br 408919130 TUJUKEIWJLCZTE-NVMNQCDNSA-N 407.224 2.893 50 40 HFGB C/C(=N\NC(=O)CN(c1cccc(C)c1C)S(C)(=O)=O)c1ccc([N+](=O)[O-])cc1 408923316 VUCGKNMIKGBGPI-HMMYKYKNSA-N 418.475 2.518 50 40 HFGB O=C(CNc1ccc(F)cc1)N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O 409360714 BXYXKZQXDYZYJF-FBCYGCLPSA-N 411.187 2.764 50 40 HFGB O=C/C(=C/Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1nc2ccccc2o1 5338678 QTJVYBSPZGQXGI-SQFISAMPSA-N 413.455 2.501 50 40 HFGB O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1ccc([N+](=O)[O-])cc1Br 408590529 PJPMTRKYYJBXAI-FBCYGCLPSA-N 421.207 2.648 50 40 HFGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(I)cc2)c(C)c1 3167958 RUUVPRKIHKHZQJ-VXLYETTFSA-N 421.238 2.997 50 40 HFGB Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NNC(=O)c2oc3ccccc3c2C)c1C 12897475 XKIWZCMRRAWDDL-UHFFFAOYSA-N 403.416 2.890 50 40 HFGB O=C(Cn1c(-c2ccccn2)nc2ccccc21)N/N=C/c1ccc(O)c([N+](=O)[O-])c1 36075329 XULDOQHPXDVVQF-FSJBWODESA-N 416.397 2.862 50 40 HFGB O=C(CCl)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)c(Cl)c1 101314541 HKFQTOILZGTBOC-SJZWRUIUSA-N 413.735 2.834 50 40 HFGB COc1cccc(N(CC(=O)NN=C2CCCC2)S(=O)(=O)c2ccccc2)c1 408778660 JUXLAQLJVQWJFG-UHFFFAOYSA-N 401.488 2.937 50 40 HFGB COc1ccccc1NC(=O)C1=C(C)NC(SCC(N)=O)=C(C#N)[C@@H]1c1ccoc1 4019901 DRAUNAIFJKKVNK-IBGZPJMESA-N 424.482 2.841 50 40 HFGB O=C(CNC(=O)c1ccc(Cl)cc1)NNC(=O)c1cc(Cl)ccc1Cl 14249010 IWESPPOVYCWRPO-UHFFFAOYSA-N 400.649 2.838 50 40 HFGB CS(=O)(=O)N(CC(=O)N/N=C/c1cc2ccccc2nc1Cl)c1ccccc1 19937068 CGSSXRFRHAPOJD-CIAFOILYSA-N 416.890 2.805 50 40 HFGB CCOc1cc(/C=N/NC(=O)c2cncc(Br)c2)cc([N+](=O)[O-])c1O 35185269 GXGQWWQNYMLCSY-NGYBGAFCSA-N 409.196 2.621 50 40 HFGB O=C(NC[C@@H]1CCCO1)C(=O)N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 59960684 RIUPFPFXVZDQKF-ZFVWIKOCSA-N 409.364 2.711 50 40 HFGB Cc1sc2ncn3c(SCC(=O)NNC(=O)c4ccccc4)nnc3c2c1C 4130294 KNDMZAKWMBFDIA-UHFFFAOYSA-N 412.500 2.509 50 40 HFGB CCn1c(SCC(=O)NNC(=O)c2ccc(OC)cc2)nnc1C1CCCCC1 4167494 YCKZGCPEFXXFBK-UHFFFAOYSA-N 417.535 2.908 50 40 HFGB CCOc1ccccc1OCCC(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1 6034445 NYVHRNORPSJNLU-UHFFFAOYSA-N 420.849 2.512 50 40 HFGB C/C(NNC(=O)c1ccccc1Cl)=C1/C(=O)N(Cc2ccccc2)C(=O)N=C1O 9320492 OWCLEYPFIZMIJX-VBKFSLOCSA-N 412.833 2.967 50 40 HFGB CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2ccccc2C(F)(F)F)cc1 59434176 OMYVOECDGRNQGY-FOKLQQMPSA-N 407.348 2.971 50 40 HFGB COc1ccc(CCNC(=O)CC(=O)N/N=C/c2cccc(Cl)c2)cc1OC 59516058 SZTYJSHTZNKNPK-YDZHTSKRSA-N 403.866 2.556 50 40 HFGB COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@H]3COC(=O)[C@H]23)OOC4)cc(OC)c1OC 100046710 MYWQJMRXONAHHB-WBCYEJBOSA-N 414.410 2.505 50 40 HFGB O=C(COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)c1ccccc1)NNC(=O)c1ccccc1 136522977 NTFYUCIINNIMDJ-FMWKFLBASA-N 420.465 2.536 50 40 HFGB COc1ccc(/C(C)=N/NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 408776119 LYVFJNAOYZQVKV-DEDYPNTBSA-N 409.895 2.655 50 40 HFGB COc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)cc1 408782508 JIOBWDXYMDEKBF-RGVLZGJSSA-N 409.895 2.573 50 40 HFGB CC(C)CN1C(=O)/C(=N\NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c2ccccc21 6171073 IIZLJVOAVRYSGH-JZJYNLBNSA-N 411.374 2.640 50 40 HFGB CCn1c2ccccc2c2nnc(S[C@@H](C)C(=O)NNC(=O)c3ccccc3)nc21 8721005 MTNNJKSBAPIPLL-ZDUSSCGKSA-N 420.498 2.941 50 40 HFGB O=C(NN(c1ccccc1)c1ccccc1)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1 32908248 XZFXFUMDWKYDLE-UHFFFAOYSA-N 413.437 2.903 50 40 HFGB COc1cccc(/C=N/NC(=O)C(=O)NCC(C)C)c1OCc1ccc(F)cc1 408609494 JYUDCOJQAZYAPQ-WYMPLXKRSA-N 401.438 2.636 50 40 HFGB COc1ccc(/C=N/NC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1 408783303 NYEGQSZVCSOCOR-RGVLZGJSSA-N 409.895 2.573 50 40 HFGB CCOC(=O)Cn1c(C)c(/C=N\NC(=O)c2cc([N+](=O)[O-])ccc2O)c2ccccc21 408917828 BSHJHLUARBDEHY-JJFYIABZSA-N 424.413 2.891 50 40 HFGB Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)CNC(=O)C1CCCCC1 6507325 HDHGZKGFUJEYIS-UHFFFAOYSA-N 400.504 2.576 50 40 HFGB O=C(NNC(=O)c1ccccc1OC[C@H]1CCCO1)c1cc(-c2ccccc2)n[nH]1 12560446 MDEHXQLKXPYYAC-MRXNPFEDSA-N 406.442 2.709 50 40 HFGB COCCNC(=O)Cn1cc(/C=C(\C#N)C(=O)NCc2cccs2)c2ccccc21 13425238 SFQCXXBHRJIYOV-LFIBNONCSA-N 422.510 2.689 50 40 HFGB CCN(CC)c1ccc(/C=N\NC(=O)CN2CCN(Cc3ccccc3)CC2)c(O)c1 19849328 ONEJXHKXRIRTDM-UQQQWYQISA-N 423.561 2.506 50 40 HFGB CCOc1ccc(N(CC(=O)N/N=C/c2ccccc2Cl)S(C)(=O)=O)cc1 19954894 OIGGYJDKKLLKOE-UDWIEESQSA-N 409.895 2.655 50 40 HFGB CCCCOc1cccc(N2/C(=N\C(=O)CCl)S[C@@H]3CS(=O)(=O)C[C@@H]32)c1 101310576 ISOSEWUIBMDVLQ-DXNFXHBHSA-N 416.952 2.706 50 40 HFGB O=C(N/N=C/[C@@H]1C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O)c1ccc(Cl)cc1 408532600 ILHHWWOFMFABTF-SCDDIDHTSA-N 419.224 2.608 50 40 HFGB COc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)C(C(N)=O)=C(C)N2)cc1 4019947 OCLMOSRGJBDBQB-LJQANCHMSA-N 424.482 2.841 50 40 HFGB O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 33958358 JXNNPTWRTDPTSH-CIAFOILYSA-N 417.385 2.659 50 40 HFGB Cc1cc(=O)c(C(=O)NNC(=O)c2cc3c(s2)CCCCC3)nn1-c1ccccc1 24474309 NEVBIVKHRDVZIG-UHFFFAOYSA-N 422.510 2.946 50 40 HFGB CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)N/N=C\c1cccnc1 408727105 OQROGFLKYNXZFM-HAHDFKILSA-N 408.483 2.812 50 40 HFGB COc1cccc(/C=N/NC(=O)CNC(=O)c2ccccc2C(F)(F)F)c1OC 2451507 XFSOGPGVMZWYDV-YSURURNPSA-N 409.364 2.603 50 40 HFGB COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N/N=C/c2ccncc2)c1 6292383 OCGRRYNQFHAMAR-HYARGMPZSA-N 410.455 2.655 50 40 HFGB N#Cc1ccccc1Sc1ccccc1C(=O)N[C@H]1CS(=O)(=O)C[C@@H]1Cl 6863689 MQPVWVQAQHPUBN-GJZGRUSLSA-N 406.916 2.844 50 40 HFGB COc1ccc(OCC(=O)N/N=C/c2cccc([N+](=O)[O-])c2O)c(Br)c1 14921627 PTIMFUOQRKCRFS-QGMBQPNBSA-N 424.207 2.601 50 40 HFGB COC(=O)c1ccc([C@H]2C(C#N)=C(N)C(C#N)(C#N)C3=CCN(C(C)C)C[C@@H]32)cc1 26417319 PZUDQWUCUUZZOL-ICSRJNTNSA-N 401.470 2.607 50 40 HFGB CC(C)(C)C(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 28666426 ADZACIBFOHEWOE-UHFFFAOYSA-N 409.895 2.948 50 40 HFGB C=CCOc1ccc(/C=N/NC(=O)COc2nc(C)cc(COC)c2C#N)cc1OC 59427767 BPQHOMAJSFYAEF-WYMPLXKRSA-N 424.457 2.511 50 40 HFGB N#Cc1ccc(C(=O)N/N=C/c2cc(Br)c(O)c([N+](=O)[O-])c2)c(F)c1 408968058 TZLNQDRGEWQOHP-FBCYGCLPSA-N 407.155 2.838 50 40 HFGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)O)c(OCC)c2)cc1OC 409327888 XPYPQMBWCDTCTR-UUYOSTAYSA-N 416.430 2.720 50 40 HFGB COc1ccccc1/C=N\NC(=O)CN1CCN(Cc2ccccc2Cl)CC1 19849492 JOYTZSANRMPYQD-UCQKPKSFSA-N 400.910 2.617 50 40 HFGB Cc1cccc(NC(=O)CN2C(=O)/C(=N\NC(=O)c3ccncc3)c3ccccc32)c1 102975195 BOZSIZFLTLIHGQ-QLYXXIJNSA-N 413.437 2.509 50 40 HFGB CN(c1ccc(C(=O)N/N=C/c2ccccc2Br)cc1)S(C)(=O)=O 409140237 QBDSTONBQPZNKA-WOJGMQOQSA-N 410.293 2.609 50 40 HFGB CCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)c(C)c2)cc1 6428357 NHMMGRNPDZABIH-AFUMVMLFSA-N 424.501 2.687 50 40 HFGB CCCOC(=O)CSC1=C(C#N)[C@@H](c2ccc(Cl)cc2)[C@@H](C(=O)OC)C(=O)N1 9330790 IVWHWCQKBPMUGP-HZPDHXFCSA-N 422.890 2.764 50 40 HFGB COc1ccc(-n2nc(C(=O)N/N=C\c3ccc(Cl)cc3)c(C)c(C#N)c2=O)cc1 409052840 INWCMPVDRHXXMQ-MSXFZWOLSA-N 421.844 2.839 50 40 HFGB CCN(CC)c1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)cc1 19954610 QFPLFIWWXHQCAL-PXLXIMEGSA-N 416.547 2.758 50 40 HFGB COc1ccccc1NC(=O)/C(C#N)=C/c1cc([N+](=O)[O-])ccc1N1CCN(C)CC1 409005628 FSFXASZXOFLIGV-GHRIWEEISA-N 421.457 2.901 50 40 HFGB CCOC(=O)Cn1cc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)c2ccccc21 409252608 CPEWLPWIVZOHCV-FOKLQQMPSA-N 407.426 2.626 50 40 HFGB COc1cc(OC)c(/C=N/NC(=O)C(=O)Nc2ccccc2)cc1Br 2752570 CFHFXDXJASDSGH-VXLYETTFSA-N 406.236 2.555 50 40 HFGB C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N/N=C/c1ccccc1C(F)(F)F 3201422 RXOHWYFVTAXYJJ-WMJRALALSA-N 408.336 2.882 50 40 HFGB COc1ccc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c(OC)c1 6181669 IZHKQLGLEDUHIJ-HYLGSWLWSA-N 401.850 2.860 50 40 HFGB Cn1cc(C(=O)NNS(=O)(=O)c2cccc(Br)c2)c2ccccc21 6788823 CMNXKHRZQYZDLQ-UHFFFAOYSA-N 408.277 2.564 50 40 HFGB Cc1cc(C)c(N2C(=O)N=C(O)/C(=C/NNC(=O)c3ccccc3O)C2=O)c(C)c1 9046179 LNYMUYIKTKJFGP-GDNBJRDFSA-N 408.414 2.559 50 40 HFGB C#CCN1CCCC[C@H]1C(=O)NNc1nnc(-c2ccccc2)n1-c1ccccc1 72277118 CYHCBSYHGGHZBE-FQEVSTJZSA-N 400.486 2.865 50 40 HFGB COC(=O)c1cc(OC)c(OC)cc1N/C=C(/C#N)C(=O)Nc1ccc(OC)cc1 101192731 DIIVZPAWIJLASQ-SEYXRHQNSA-N 411.414 2.957 50 40 HFGB C/C(=N\NC(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O)c1ccc([N+](=O)[O-])cc1 408786336 PPOAJTRCAUBNRE-HMMYKYKNSA-N 418.475 2.518 50 40 HFGB Cc1c(C(=O)N/N=C\c2ccc(F)cc2)nn(-c2ccc(Cl)cc2)c(=O)c1C#N 409054601 ADRIOQOGZBXKHI-MYKKPKGFSA-N 409.808 2.969 50 40 HFGB C=CCn1c(COc2ccccc2)nnc1SCC(=O)N/N=C/c1cccnc1 2742980 QLRBIRUTIFMFMZ-LPYMAVHISA-N 408.487 2.681 50 40 HFGB CC(C)(C)c1n[nH]c2c1[C@H](c1cccc(OC(=O)N3CCOCC3)c1)C(C#N)=C(N)O2 5067672 AFXWVUPIRLLDSX-MRXNPFEDSA-N 423.473 2.756 50 40 HFGB Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NCC(C)C)c2)c(C)c1 8369230 IORDBCWQFJVKKA-DHRITJCHSA-N 424.501 2.543 50 40 HFGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2CC)S(C)(=O)=O)cc1 20208899 XFWLNTUPOSYOBV-PXLXIMEGSA-N 415.515 2.730 50 40 HFGB CC(=O)N/N=C1\CC(C)(C)Cc2nc(C)c(C(=O)NNC(C)=O)c(-c3ccccc3)c21 102940025 SQLCEZDZWSKEQK-OVVQPSECSA-N 421.501 2.651 50 40 HFGB CNC(=O)C(=O)N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)c(OC)c1 408607082 BQZCVBOYOILRMO-LSFURLLWSA-N 410.257 2.777 50 40 HFGB COc1cccc(N(CC(=O)N/N=C/c2cccc3ccccc23)S(C)(=O)=O)c1 408785334 YMOICACASDDTEH-HYARGMPZSA-N 411.483 2.765 50 40 HFGB O=C1[C@H]2[C@@H]3C[C@@H]([C@@H](Br)[C@H]3Br)[C@@H]2C(=O)N1Nc1ccccc1 4134913 XEUZBZLQQASJJG-XALSLBCYSA-N 414.097 2.791 50 40 HFGB CSc1ccc(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 6584936 VJDDMAJYKGLLNM-RCCKNPSSSA-N 417.556 2.960 50 40 HFGB Cc1c(C)c(C)c(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCCO3)c(C)c1C 12894707 IQYGTUYCBDGMRO-UHFFFAOYSA-N 404.488 2.623 50 40 HFGB Cn1c(=O)n(C)c2cc(/C=N/NC(=O)CSc3nc4ccccc4s3)ccc21 27489575 LHXBDJSGTMPTGW-KEBDBYFISA-N 411.512 2.729 50 40 HFGB CCCOc1ccc(N2C(=O)C[C@@H](NNC(=O)c3ccc(Cl)cc3)C2=O)cc1 100990298 FVYBNAQSEWLOCX-QGZVFWFLSA-N 401.850 2.695 50 40 HFGB NNC(=O)CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Cl)cc1 144356778 CVKGTOBELLVDCA-UHFFFAOYSA-N 422.721 2.828 50 40 HFGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(Br)cc2)S(C)(=O)=O)cc1 19954457 DADVAYORCVUCOU-YBFXNURJSA-N 424.320 2.674 50 40 HFGB O=C(Cn1c(COc2ccccc2)nc2ccccc21)NNC(=O)c1cccc(O)c1 28643638 LMIYQKMOCNTEBQ-UHFFFAOYSA-N 416.437 2.782 50 40 HFGB COc1cc(Br)c(O)c(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)c1 408590007 NVLCDNRCOFFTRD-UFWORHAWSA-N 407.220 2.585 50 40 HFGB COc1ccc([C@H]2[C@H]3CN(C(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC 5462569 VKNLPMQDTJAVEP-RXVVDRJESA-N 403.486 2.838 50 40 HFGB O=C(Cc1ccc(F)cc1)NNC(=O)c1ccc(=O)n(Cc2ccc(Cl)cc2)c1 16839312 MIPQHGWPJHIKSF-UHFFFAOYSA-N 413.836 2.693 50 40 HFGB N#CCC(=O)N/N=C(\CNS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1 18193669 QDLGYJNDEHHQBV-HIXSDJFHSA-N 406.467 2.552 50 40 HFGB O=C(NNC(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1)c1ccccc1 72301425 XXNFVBMJDDUFCQ-QGZVFWFLSA-N 408.285 2.828 50 40 HFGB Cc1csc(CC(=O)NNC(=O)CN2CC=C(c3c(C)[nH]c4ccccc34)CC2)n1 72308176 VATLRNSDSBUEGO-UHFFFAOYSA-N 423.542 2.720 50 40 HFGB O=C(Cc1ccccc1)NN[C@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1=O 100126553 UIUFWLYLVVKNIZ-NRFANRHFSA-N 415.449 2.974 50 40 HFGB COCCNC(=O)/C(C#N)=C/c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1 408801209 SHOWBWIOAFLWGU-TYSUYXETSA-N 407.470 2.612 50 40 HFGB CN1CCC(=NNC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)CC1 408863699 QBCHXEMDEWPDTA-UHFFFAOYSA-N 405.546 2.820 50 40 HFGB Nc1ccc(C(=O)NN2C(=O)[C@@H](Cl)[C@@H]2c2cc(Br)ccc2O)cc1 5580808 VMFGZUZQTNQQCO-KBPBESRZSA-N 410.655 2.573 50 40 HFGB N#C/C(C(=O)N1CCOCC1)=C1\S[C@@H](Cc2ccccc2)C(=O)N1c1ccccc1 6829549 JDEZBWGFYMVYEN-LOKSUBMMSA-N 419.506 2.972 50 40 HFGB Cc1cc(C)n(CC(=O)N/N=C/c2sc(N3CCOCC3)nc2-c2ccccc2)n1 9666202 AMVVBCOYQYZCAJ-LPYMAVHISA-N 424.530 2.610 50 40 HFGB CCNC(=O)COc1ccc(/C=C(/C#N)C(=O)c2ccc3c(c2)OCO3)cc1OC 48325140 HRRLWVPQNWJOFH-PXNMLYILSA-N 408.410 2.729 50 40 HFGB O=C(N/N=C1/C(=O)N(Cc2ccccc2)c2ccccc21)[C@H]1COc2ccccc2O1 96775042 FWVJGVQFASWYGU-MUTZGBHFSA-N 413.433 2.894 50 40 HFGB CC(C)c1ccc(/C=N/NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)cc1 663050 PSCCAHMJEZFUNM-FOKLQQMPSA-N 403.446 2.942 50 40 HFGB COc1ccc(C(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)c(OC)c1OC 6008706 XVIBLBUEPDEKJU-UHFFFAOYSA-N 409.398 2.711 50 40 HFGB CCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(C)c2C)cc1 6428372 PIKUJBHJFKVJOL-AFUMVMLFSA-N 424.501 2.687 50 40 HFGB O=C(CCCc1nc2ccccc2s1)NNC(=O)c1nn(-c2ccccc2)cc1O 10159258 WDHBMUAOMGISMR-UHFFFAOYSA-N 421.482 2.972 50 40 HFGB CC(C)(C)[C@@H]1CCc2sc(C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)cc2C1 14066042 BLWFANKQNDCUOM-OAHLLOKOSA-N 424.530 2.950 50 40 HFGB CSc1ncc(Br)c(C(=O)NNC(=O)c2ccccc2Cl)n1 27991228 WBRZNGJLHVVLST-UHFFFAOYSA-N 401.673 2.689 50 40 HFGB COc1ccc(/C=C(/C#N)C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)cc1 33401892 TWWHYCIROKGRAT-PZNLSKEWSA-N 409.461 2.931 50 40 HFGB COc1ccc(NC(=S)NNC(=O)COc2ccc(Br)cc2)cc1 59449425 MLJLCQNHHKEKHA-UHFFFAOYSA-N 410.293 2.854 50 40 HFGB O=S(=O)(Nc1ccc(-n2cc(CO)nn2)cc1)c1ccc(CCCCl)cc1 95939631 LPGNTFZCEPCAEL-UHFFFAOYSA-N 406.895 2.732 50 40 HFGB COc1ccc(CC(=O)N/N=C(\C)CC(=O)Nc2ccc(Cl)cn2)cc1OC 101544166 JCJNGEIGPFJERK-FSJBWODESA-N 404.854 2.816 50 40 HFGB CCOC(=O)c1cc(C)n(CC(=O)NNC(=O)[C@@H](C)Oc2cccc(C)c2C)c1C 18103573 KRJYNOQAJPKLSC-QGZVFWFLSA-N 415.490 2.513 50 40 HFGB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)NC(=S)NNC(=O)c1cccs1 32118854 BPSUXYIEDKOZCG-GQCTYLIASA-N 410.864 2.659 50 40 HFGB O=C(N/N=C\c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccc(N2CCCC2)cc1 38431008 RPDYZDACLGJHML-KQWNVCNZSA-N 423.473 2.796 50 40 HFGB COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1cc2c(cc1Br)OCO2 409225094 OTFDBHYZHGYSJK-CNHKJKLMSA-N 422.191 2.859 50 40 HFGB Cn1c(SCC(=O)N/N=C/c2ccc(O)cc2O)nnc1-c1ccc(Cl)cc1 2317348 NGXRFCGMZPRNKZ-AWQFTUOYSA-N 417.878 2.789 50 40 HFGB COc1ccc(C(=O)NNC(=O)c2csc(-c3cccc(OC)c3OC)n2)cc1 12880507 MHIJFCVCPOXXHG-UHFFFAOYSA-N 413.455 2.911 50 40 HFGB O=C(NN/C=C1/C(=O)N(c2ccccc2)C(=S)N=C1O)c1ccccc1Cl 16973144 RTLQAIATHCYDRT-JLHYYAGUSA-N 400.847 2.747 50 40 HFGB CC(C)(C)C(=O)Nc1nnc(CC(=O)N/N=C/c2ccc(Br)cc2)s1 59498804 WQSRETIEWVRELI-GIJQJNRQSA-N 424.324 2.978 50 40 HFGB COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccccc1Cl)S(C)(=O)=O 408782522 HREDAJJIARZNOJ-RGVLZGJSSA-N 409.895 2.573 50 40 HFGB C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(OCC(N)=O)c(Br)c1 408805832 HVQBHMYHAJZQPM-XVDJGBJWSA-N 420.307 2.915 50 40 HFGB COc1cccc(OCC(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c1 4852688 BFALGPDSUIGPTH-LLVKDONJSA-N 413.257 2.996 50 40 HFGB Cc1ccc(NC(=O)C(=O)N/N=C/c2cc3c(cc2Br)OCO3)cc1 8049043 HZBXUYBPMLAVIH-UFWORHAWSA-N 404.220 2.575 50 40 HFGB COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)NNC(=O)c2cccs2)n1 8942726 TZLDEAOSZQERHZ-UHFFFAOYSA-N 423.907 2.749 50 40 HFGB Cc1oc(-c2ccccc2)nc1CC(=O)NNC(=O)CN1CCCc2ccccc21 12606491 BNBLPUICMXNYHB-UHFFFAOYSA-N 404.470 2.793 50 40 HFGB Cc1ccc(S(=O)(=O)NNC(=O)Cc2csc(-c3ccc(F)cc3)n2)cc1 32780593 QFXYLXZPLFWGDX-UHFFFAOYSA-N 405.476 2.810 50 40 HFGB C[C@@H](C(=O)N/N=C\c1ccccc1O)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 54219797 ZUQDELBMIPXOOG-PQGZWWKGSA-N 410.499 3.000 50 40 HFGB C=CCNC(=O)C(=O)N/N=C/c1cccc(OC)c1OCc1c(F)cccc1Cl 408601239 AOIXDHDGERCUIE-BHGWPJFGSA-N 419.840 2.819 50 40 HFGB COc1ccc(/C=N\NC(=O)c2nn(-c3ccc(C)c(C)c3)c(=O)c(C#N)c2C)cc1 409062100 NNLSBZRAYPGVGL-MXAYSNPKSA-N 415.453 2.802 50 40 HFGB O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1ccc(I)cc1 409093298 ZVCAZFGCXYYQKV-UFWORHAWSA-N 423.210 2.582 50 40 HFGB COCCCNC(=O)/C(C#N)=C1\N=C(NC(=O)c2ccc(Cl)cc2)c2ccccc21 2202689 SIJORMBLRYHSJP-HNENSFHCSA-N 422.872 2.918 50 40 HFGB C[C@@H]1CN(C(=O)/C(C#N)=C2\N=C(NC(=O)c3cccs3)c3ccccc32)C[C@@H](C)O1 11692115 ZYUFZLPIUYDMNY-ORQRPPJRSA-N 420.494 2.809 50 40 HFGB COCCCNC(=O)/C(C#N)=C1\N=C(NC(=O)c2ccccc2Cl)c2ccccc21 13556130 YZLHRJSJFUKDNC-ZPHPHTNESA-N 422.872 2.918 50 40 HFGB CC(C)c1c(C(=O)NNC(=O)c2cccnc2)cnn1-c1ccc(C(F)(F)F)cn1 32649498 WHCGWFUDEQKCRC-UHFFFAOYSA-N 418.379 2.879 50 40 HFGB COc1cc(/C=N/NC(N)=O)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 108013643 ZLQDYLZGZSDWFC-ZVHZXABRSA-N 410.474 2.903 50 40 HFGB COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)c(OC)c1OC 1475196 AHZAKOZFVADTFM-KEBDBYFISA-N 400.460 2.831 50 40 HFGB COc1ccc(Cl)cc1C(=O)NNC(=O)CCNC(=O)c1ccccc1Cl 3374714 MCIKKGYJRYJWLZ-UHFFFAOYSA-N 410.257 2.583 50 40 HFGB O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1ccccc1NS(=O)(=O)c1cccs1 6131391 DGDLLBGPYMWEGL-LICLKQGHSA-N 420.428 2.814 50 40 HFGB CCCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1c(C)cccc1C 6428420 GDMVQEYQRAMWLU-AFUMVMLFSA-N 424.501 2.687 50 40 HFGB O=C(NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1ccc(F)cc1 9633846 XMJIGGYONBUCIQ-UHFFFAOYSA-N 419.459 2.763 50 40 HFGB CC(C)(C)c1ccc2c(c1)O[C@@H](C(=O)N/N=C1/C(=O)Nc3ccc([N+](=O)[O-])cc31)CO2 13532779 QWXUODLHWDJALS-QGZVFWFLSA-N 424.413 2.505 50 40 HFGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OC(C)C)cc2)S(C)(=O)=O)cc1 20207926 YOSDJUJKNZYFOQ-FYJGNVAPSA-N 403.504 2.699 50 40 HFGB C=CCOc1ccc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 20208477 XSYRZJZQEQUJJC-HYARGMPZSA-N 415.515 2.785 50 40 HFGB COc1cc(/C=C(/C#N)C(N)=S)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 408543833 RQFXJMMBIBHVDA-WQLSENKSSA-N 419.440 2.564 50 40 HFGB COc1cccc(OC)c1OCC(=O)N/N=C/c1cc(Br)ccc1O 1300389 NTIOOHHPGNTPMW-DJKKODMXSA-N 409.236 2.701 50 40 HFGB Cc1ccc(NC(=O)COC(=O)c2ccc(/C=N\NC(=O)c3cccnc3)cc2)cc1 30961074 OIHOVNJMOCLPGY-MXAYSNPKSA-N 416.437 2.949 50 40 HFGB O=C(NNC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1)c1ccccc1 40143098 IDCZCLABSHXPDU-UHFFFAOYSA-N 401.469 2.624 50 40 HFGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 98086504 FOPNBDOPKMZSKG-FOWTUZBSSA-N 408.414 2.986 50 40 HFGB CC[C@H](C)Oc1ccccc1/C=N/NC(=O)Cn1c(C)cc(COC)c(C#N)c1=O 408603131 QGMKHJQCFDIXHH-SOAGAIGUSA-N 410.474 2.502 50 40 HFGB COc1cc(C(=O)NNC(=O)c2cc(F)c(F)cc2Cl)cc(OC)c1OC 2651378 ZPRHDOKXYBHQKY-UHFFFAOYSA-N 400.765 2.719 50 40 HFGB O=C(COc1ccc(Cl)cc1)N/N=C1\C(=O)Nc2ccc(Br)cc21 5093048 NMHIJCXPAHWEOO-UHFFFAOYSA-N 408.639 2.954 50 40 HFGB Cc1ccc(CN2C[C@H](C(=O)NNC(=O)c3ccc(OC(C)C)cc3)CC2=O)cc1 9996249 HIWJRGJLBCVQNN-LJQANCHMSA-N 409.486 2.592 50 40 HFGB Cc1nc(SCC(=O)NNC(=O)c2cccs2)nc(O)c1Cc1ccccc1 13644282 RSIHFKSZEMQXMT-UHFFFAOYSA-N 414.512 2.696 50 40 HFGB COc1ccc(N([C@H](C)C(=O)N/N=C/c2ccc(C)c(C)c2C)S(C)(=O)=O)cc1 20214919 ISRJDGCRUOFKLU-NEIHUHTASA-N 417.531 2.925 50 40 HFGB CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccccc3OC)[C@H]2C1 4473408 ULXJWSWGSXVXON-PKOBYXMFSA-N 403.442 2.577 50 40 HFGB COc1cc(OC)c([C@H]2C(C#N)=C(N)OC3=C2C(=O)c2ccccc2C3=O)cc1OC 96563341 OHGMBXCOKAZLIW-SFHVURJKSA-N 418.405 2.853 50 40 HFGB CS/C(NS(=O)(=O)c1ccc(C)cc1)=C(\C#N)C(=O)NCc1ccccc1 100955265 GKQUCSUQACOPSB-HTXNQAPBSA-N 401.513 2.688 50 40 HFGB CCOC(=O)/C(C#N)=C(\O)c1ccc([C@@H]2C(=O)c3ccc(C(=O)O)cc3C2=O)cc1 101911845 ILHKYLIMFSUGRD-FXBHHXAOSA-N 405.362 2.903 50 40 HFGB C[C@@H](C(=O)N/N=C/c1cccc(Br)c1)N(c1ccccc1)S(C)(=O)=O 408922701 QWIZSDRRIQYONH-HCZVKUGISA-N 424.320 2.754 50 40 HFGB C=CCOc1cccc(/C=N/NC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)c1 4363617 XJWILQWJKFRQEE-WASCAKKMSA-N 401.488 2.556 50 40 HFGB COc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccc(C)c(C)c2C)S(C)(=O)=O)cc1 20214916 ISRJDGCRUOFKLU-KOWBDXASSA-N 417.531 2.925 50 40 HFGB O=C(NNC(=O)c1ccccc1Br)c1ccc(CN2CCCC2=O)cc1 22863090 ARNBDJHRDJQSLJ-UHFFFAOYSA-N 416.275 2.646 50 40 HFGB Cc1ccc2[nH]c(C)c(CC(=O)NNC(=O)CCC(=O)NCc3ccccc3)c2c1 4680257 LCRHYTNGLHCPAI-UHFFFAOYSA-N 406.486 2.571 50 40 HFGB CCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2C)cc1 6647864 XCTXXTJGVRUOTR-AFUMVMLFSA-N 424.501 2.687 50 40 HFGB COc1ccc(Br)cc1/C=N\NC(=O)CC(=O)NCc1ccccc1 59444830 ZWESUMXAMHKTFO-MTJSOVHGSA-N 404.264 2.614 50 40 HFGB O=C(CCl)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(C(F)(F)F)c1 101311524 DZYHZFOADADYHW-SPJZNXQJSA-N 412.842 2.546 50 40 HFGB CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccc2nccnc2c1 5069105 HDTVPKUCLIVUEE-OOXYOOLHSA-N 403.508 2.726 50 40 HFGB Cc1ccc(S(=O)(=O)NNC(=O)c2ccc3ccccc3n2)c(Br)c1 28195629 LCYXSIMLWRAQAM-UHFFFAOYSA-N 420.288 2.929 50 40 HFGB CC(C)Oc1ccc(/C=N/NC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)cc1 408913317 SUASLOCNFFNDKE-YIRPMMGJSA-N 403.504 2.779 50 40 HFGB COc1ccccc1/C=N\NC(=O)c1nn(-c2ccc(C)c(C)c2)c(=O)c(C#N)c1C 409062543 WOBRQEUGYSQOPK-MXAYSNPKSA-N 415.453 2.802 50 40 HFGB Cc1oc(/C=N/NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc1Br 409144244 NRJYYGQYQNJGGR-RQZCQDPDSA-N 414.281 2.510 50 40 HFGB CO[C@H]1[C@@H](OC(=O)NC(=O)CCl)CC[C@@]2(CO2)[C@H]1[C@]1(C)O[C@H]1CC=C(C)C 1529050370 MSHZHSPISPJWHW-UKNGXSGASA-N 401.887 2.554 50 40 HFGB COc1cccc(/C=N/NC(=O)CNC(=O)C(c2ccccc2)c2ccccc2)c1O 1955629 YTOULNNBYOSGMM-CVKSISIWSA-N 417.465 2.799 50 40 HFGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)c2ccccn2)cc1 4545621 VJRSQQROOPTJHQ-ZVHZXABRSA-N 404.426 2.872 50 40 HFGB COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N/N=C/c2cccnc2)c1 6292379 JBAYBEIIYACPMM-HYARGMPZSA-N 410.455 2.655 50 40 HFGB Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c2cccc(O)c2)cc1 15229780 RDEUGFUCLYHWDQ-IOVUBPJKSA-N 403.504 2.544 50 40 HFGB CCOc1ccc(N([C@H](C)C(=O)N/N=C/c2ccccc2F)S(C)(=O)=O)cc1 408908232 WDWMJVHOWPLCTB-CNRHGSOZSA-N 407.467 2.529 50 40 HFGB Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)cc1 8400282 ZJJZSSVGJHMAPT-MOPGFXCFSA-N 423.469 2.899 50 40 HFGB Cc1c(C(=O)N/N=C\c2ccc(O)cc2)nn(-c2ccc(Cl)cc2)c(=O)c1C#N 409055753 PRMKJUGLIGAIET-KSEXSDGBSA-N 407.817 2.536 50 40 HFGB CCOc1cc(/C=N/NC(=O)c2cccnc2)cc(I)c1O 847904 YQSSQXHKAVUACY-QGMBQPNBSA-N 411.199 2.554 50 40 HFGB Nc1nonc1C(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1 1060307 CTESMMFXYOLYSH-AWQFTUOYSA-N 416.235 2.757 50 40 HFGB O=C(N/N=C/c1ccc(O)c(O)c1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 4525859 WOWNSEQWMVSKPT-QPSGOUHRSA-N 401.728 2.859 50 40 HFGB Nc1ccccc1N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@@H]2C1=O 100940160 MBKHUNRVMPCQNA-XKNYDFJKSA-N 402.086 2.695 50 40 HFGB CCOC(=O)Cn1cc(/C=N/NC(=O)c2ccc(OC)cc2OC)c2ccccc21 107798713 IVDVLOYVJIMVCT-FSJBWODESA-N 409.442 2.986 50 40 HFGB Cc1cc(S(=O)(=O)NNC(=O)c2cn(C)c3ccccc23)ccc1Br 12554711 KTQYVYIWYFNOBD-UHFFFAOYSA-N 422.304 2.873 50 40 HFGB O=C(CCCn1c(=O)oc2ccccc21)NNC(=O)c1ccc(Br)s1 13134748 XAESMMYNOUKLGX-UHFFFAOYSA-N 424.276 2.660 50 40 HFGB CC1=C(C(=O)OCc2ccccc2)[C@@]2(C(=O)Nc3cccc(C)c32)C(C#N)=C(N)O1 17143951 KAFJVCVDRROCOB-HSZRJFAPSA-N 401.422 2.926 50 40 HFGB COc1ccc(Cl)cc1N1C[C@@H](C(=O)NNC(=O)c2ccc(Cl)cc2)CC1=O 29488877 HIOUIEJXDOGJFA-LBPRGKRZSA-N 422.268 2.816 50 40 HFGB COc1cc(/C=N\NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c([N+](=O)[O-])cc1OC 32115711 CSKQQJKNWWVHSU-SQFVCTCFSA-N 421.225 2.895 50 40 HFGB CC(=O)Oc1ccc(/C=N/NC(=O)c2cccc(I)c2)cc1 408767270 YSXOCBSKATUZBM-VCHYOVAHSA-N 408.195 2.980 50 40 HFGB O=C(COc1ccc(/C=N/NC(=O)c2ccncc2)cc1)Nc1cccc([N+](=O)[O-])c1 799920 MHHVWPZQLTYVFK-YDZHTSKRSA-N 419.397 2.771 50 40 HFGB COc1c([N+](=O)[O-])cc(C(=O)N/N=C/c2ccc(Br)o2)cc1[N+](=O)[O-] 9444561 AIXNSEFUDSUDSW-GIDUJCDVSA-N 413.140 2.631 50 40 HFGB O=C(COc1ccc(/C=N\NC(=O)COc2ccccc2)cc1)NCc1ccco1 58883284 RHPLTOIXSGFRGJ-CFRMEGHHSA-N 407.426 2.504 50 40 HFGB CCN(CC)c1ccc(C(=O)NNC(=O)CCNC(=O)c2ccc(Cl)cc2)cc1 5689639 DKZQHLDBIXDDRX-UHFFFAOYSA-N 416.909 2.767 50 40 HFGB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)[C@@H]1C(=O)NC[C@@H]1c1ccccc1 9056981 JAEALZNPLGVIAH-TXCGGMSCSA-N 421.888 2.814 50 40 HFGB CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1cccc2ccccc12 9422402 UDFDNMAWGPYDSP-BKAYVGFPSA-N 421.478 2.532 50 40 HFGB COc1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])cc(Br)c2O)c(OC)c1 106539253 CZUKUPNWOYFDFD-QGMBQPNBSA-N 424.207 2.844 50 40 HFGB Cc1nn(C)c2nc(C3CC3)cc(C(=O)N/N=C/c3ccn(CC(F)(F)F)n3)c12 252486862 HPMQTHOJTYDCJM-GZIVZEMBSA-N 405.384 2.677 50 40 HFGB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)CC3(C)OCCO3)c2C)c1 408592000 WZDYNXGEKZCZFA-OEAKJJBVSA-N 413.474 2.874 50 40 HFGB COc1ccc(N(CC(=O)N/N=C(\C)c2ccccc2)S(C)(=O)=O)cc1Cl 408780622 GLJBZJCDXFPAAO-DEDYPNTBSA-N 409.895 2.655 50 40 HFGB CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(Br)s3)[C@@H]2C1 4473474 XWHGWLWVQHNFFY-IUODEOHRSA-N 400.305 2.866 50 40 HFGB Cc1ccc(OCC(=O)NNC(=O)c2cc(-c3ccccc3)n[nH]2)c2c1[C@H](C)CC2=O 12520699 FPQZWFWLPOAYPA-CQSZACIVSA-N 418.453 2.915 50 40 HFGB O=C(NNC(=O)c1ccccc1NC(=O)c1cccs1)c1cccc([N+](=O)[O-])c1 12795166 SHFUUIBEUIIXRM-UHFFFAOYSA-N 410.411 2.983 50 40 HFGB C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)c1cn(Cc2ccccc2)nn1 13006999 WBBJYZNHNXJRGI-INIZCTEOSA-N 415.453 2.708 50 40 HFGB CCN(CC)c1ccc(/C=N/NC(=O)CN(c2ccccc2C)S(C)(=O)=O)cc1 19954834 OTEXZAVJKRUKAP-PXLXIMEGSA-N 416.547 2.758 50 40 HFGB O=C(N/N=C\c1cc2c(cc1Br)OCO2)c1cc([N+](=O)[O-])ccc1O 35415560 BYGOHJDIQCQHAZ-FMQZQXMHSA-N 408.164 2.556 50 40 HFGB Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c2ccc(O)cc2)cc1 408767072 VKSGNGLALRNAIS-IOVUBPJKSA-N 403.504 2.544 50 40 HFGB Cc1ccc(C(=O)NNC(=O)CSc2nnc(CNc3ccc(F)cc3)o2)cc1 917178 AVQQQQRWABKFMW-UHFFFAOYSA-N 415.450 2.683 50 40 HFGB NC(=O)N[C@@H](CC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(Cl)cc1 6549500 IVDMATZHISHPHU-CQMMPMSNSA-N 418.925 2.803 50 40 HFGB COc1ccc(Cl)cc1C(=O)NNC(=O)CCc1cc(OC)c(OC)c(OC)c1 6788843 QHKHEHPKCOYEGU-UHFFFAOYSA-N 422.865 2.768 50 40 HFGB O=C(COC(=O)c1cccc(Cl)c1)NNC(=O)c1ccc(Br)cc1 10648375 PMDOXBXJFCJRCN-UHFFFAOYSA-N 411.639 2.721 50 40 HFGB O=C(N/N=C/c1cccc(I)c1)C(=O)Nc1ccccc1F 408733412 IQDXAYSBUKOCKR-GIJQJNRQSA-N 411.174 2.519 50 40 HFGB O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1ccc(I)cc1 408974367 FIFSWRYGTKNYQC-GIJQJNRQSA-N 408.195 2.713 50 40 HFGB COc1ccc(Cl)cc1C(=O)NNC(=O)c1ccc(OC[C@@H]2CCCO2)cc1 3322326 MKSVKEIVNQHXBF-INIZCTEOSA-N 404.850 2.981 50 40 HFGB COc1cc2c(cc1OC)C1=C[C@@]3(C(=O)Nc4ccc(C)cc43)C(C#N)=C(N)N1CC2 5450736 OGCSEJGVYZVKHM-DEOSSOPVSA-N 414.465 2.809 50 40 HFGB COc1cc(/C=C/C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(F)F 6949024 OIBSVAZYKQFFCV-YCRREMRBSA-N 407.329 2.679 50 40 HFGB COc1ccc(C(=O)NNc2ncnc3c2cnn3-c2cccc(C)c2)cc1OC 17135607 QUNATYTWRMFZSN-UHFFFAOYSA-N 404.430 2.898 50 40 HFGB O=C(COc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1)NCc1ccco1 28215459 DASWXNCLNFOCFJ-FSJBWODESA-N 422.397 2.647 50 40 HFGB CCOc1ccc(/C=N/NC(=O)CNC(=O)c2ccccc2Br)cc1 3090375 RSHVJMITLILLIR-SRZZPIQSSA-N 404.264 2.728 50 40 HFGB CC(C)Cn1nc(C(=O)N/N=c2/sc3ccccc3n2C)c2ccccc2c1=O 3308540 SXNXETBNFDWEKA-XTQSDGFTSA-N 407.499 2.851 50 40 HFGB O=C(NN=C1CCN(Cc2ccccc2)CC1)c1ccc(CN2CCOCC2)cc1 409339559 WEHWSICUULVHFJ-UHFFFAOYSA-N 406.530 2.901 50 40 HFGB CCOC(=O)N1CC=C2[C@@H](C1)[C@@H](c1ccc(OC)cc1)C(C#N)=C(N)C2(C#N)C#N 664252 CHZKRPLYBPFOJZ-MJGOQNOKSA-N 403.442 2.577 50 40 HFGB O=C(CSc1nnc2c(n1)[nH]c1ccccc12)NNC(=S)Nc1ccccc1 6393015 SYHRZBGHFXDVLZ-UHFFFAOYSA-N 409.500 2.616 50 40 HFGB Cc1cccc(N2C(=O)[C@@H](Cc3cccc([N+](=O)[O-])c3)S/C2=C(\C#N)C(N)=O)c1 13810636 DFERZOQMGAYTGK-PBEQFFAXSA-N 408.439 2.815 50 40 HFGB COc1ccc(C(=O)N/N=C2/C(=O)N(CN3CCCCC3)c3ccccc32)cc1OC 18284531 DGVAFCMNEIXGRZ-DARPEHSRSA-N 422.485 2.628 50 40 HFGB COc1cc(/C=N\NC(=O)[C@H]2COc3ccc(C(C)(C)C)cc3O2)cc(OC)c1O 31853553 NVWZZUAUIQYBEO-MERTWQSDSA-N 414.458 2.997 50 40 HFGB CCS(=O)(=O)N(CC(=O)N/N=C/c1cccc(Cl)c1)c1ccc(OC)cc1 59490240 ISLYKVGYTSMNRB-UDWIEESQSA-N 409.895 2.655 50 40 HFGB C=CCc1cc(/C=N/NC(=O)c2cccc(N(C)C)c2)cc(OC)c1OCC(=O)O 59678688 TUVHAQHURQYFPW-YDZHTSKRSA-N 411.458 2.717 50 40 HFGB COCCNC(=O)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1 408609370 RBASJZDIHZPJOK-FOKLQQMPSA-N 424.284 2.785 50 40 HFGB COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4cccnc4)c(=O)c32)cc1 1472129 YETPMRLVMAFIEO-FQEVSTJZSA-N 400.438 2.827 50 40 HFGB COc1ccccc1N(CC(=O)N/N=C(\C)CCc1ccccc1)S(C)(=O)=O 4472092 JEIHAZSDFSWUIS-LTGZKZEYSA-N 403.504 2.586 50 40 HFGB COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N(CCCO)C(=O)C(C#N)=C3C)o2)cc1 8660977 ZZHAJMDSPBZDJH-PDGQHHTCSA-N 420.421 2.708 50 40 HFGB Cc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccccc2Br)cc1 16309159 SLKLXCZMGCHDAE-YBFXNURJSA-N 424.320 2.528 50 40 HFGB CCOc1cc(I)cc(/C=N/NC(=O)c2cccnc2)c1O 865596 KAHKHGRAPRKYNT-GIJQJNRQSA-N 411.199 2.554 50 40 HFGB Cc1ccc(OCc2nnc(SCC(=O)NNC(=O)C3CCCCC3)n2C)cc1 881587 BOGQGVCJEGUHBM-UHFFFAOYSA-N 417.535 2.522 50 40 HFGB COc1cc(/C=C(\C#N)C(=O)N2CCCCC2)cc(I)c1O 1408581 AQNJHNCNQKEOSI-KPKJPENVSA-N 412.227 2.925 50 40 HFGB O=C(Cc1ccc2c(c1)OCCO2)N/N=C/c1cc2c(cc1Br)OCO2 409362976 KRSNOYGRCMWCRS-AWQFTUOYSA-N 419.231 2.642 50 40 HFGB CCOc1cc(/C=C(\C#N)C(=O)N2CCCC2)cc(I)c1O 409368314 XOJJPYKMLZIEPD-KPKJPENVSA-N 412.227 2.925 50 40 HFGB C=CCc1cc(/C=N/NC(=O)c2ccc(C)cc2OC)cc(OC)c1OCC(=O)O 59303265 BDWVMRBIOAWWCA-FSJBWODESA-N 412.442 2.968 50 40 HFGB COc1cc(/C=C/C(=O)NN)ccc1OCc1ccc(I)cc1 226360953 OVWAAWJQZKDJOK-WEVVVXLNSA-N 424.238 2.882 50 40 HFGB Cc1ccc2sc(NNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)nc2c1C 4121427 XNEFEWJCPGFEBY-UHFFFAOYSA-N 404.517 2.920 50 40 HFGB Cc1cc2c(c(=O)n1Cc1cccnc1)[C@@H](c1ccc([N+](=O)[O-])cc1)C(C#N)=C(N)O2 5066106 VSUGTZWOQWVKOQ-IBGZPJMESA-N 415.409 2.726 50 40 HFGB C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)COc1cccc(F)c1 8242251 JWGDIEBDJCOREX-LLVKDONJSA-N 411.227 2.582 50 40 HFGB COc1cccc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)c1 20209199 DGDVYILYDMGRDQ-FYJGNVAPSA-N 403.504 2.735 50 40 HFGB CC1=C(C#N)C(=O)N(C[C@@H](C)O)C(=O)/C1=C/c1ccc(-c2ccc(C(=O)O)cc2)o1 100487716 IZVBHDJFQCVLBK-UDPFGDFPSA-N 406.394 2.618 50 40 HFGB O=C1[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C(=O)N1Nc1ccccc1 100842968 XEUZBZLQQASJJG-RHIYVLOFSA-N 414.097 2.791 50 40 HFGB COc1ccc(Cl)cc1C(=O)NNC(=O)CSc1nnc(-c2ccco2)o1 2639199 GBOASRHTAZCMLT-UHFFFAOYSA-N 408.823 2.545 50 40 HFGB O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N/N=C/c1ccccc1[N+](=O)[O-] 6059477 APPOLCWCUKEFES-LPYMAVHISA-N 415.881 2.516 50 40 HFGB CC/C(NNC(=O)c1ccccc1O)=C1/C(=O)N(C2CCCCC2)C(=O)N=C1O 8971860 VOWPDTFPKUBQOJ-PEZBUJJGSA-N 400.435 2.542 50 40 HFGB CCOc1cc2ccccc2cc1C(=O)NNC(=O)COc1ccccc1[N+](=O)[O-] 14201223 QJUYJQDBWNYHDR-UHFFFAOYSA-N 409.398 2.987 50 40 HFGB Cc1cccc(CC(=O)NNC(=O)c2ccc(=O)n(Cc3ccc(Cl)cc3)c2)c1 16839364 VBZBIAGZDBXIQA-UHFFFAOYSA-N 409.873 2.862 50 40 HFGB CCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1ccc(OC)cc1 408708839 ULGQUHURNTZREE-SRZZPIQSSA-N 419.279 2.788 50 40 HFGB CCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2C)cc1O 2313035 FLPXIFMDJYVQKQ-CIAFOILYSA-N 411.487 2.829 50 40 HFGB C/C(CC(=O)NCc1ccccc1)=N\NC(=O)C(=O)Nc1ccc(C)c(Cl)c1 4402159 QSZUQRXZOQBONA-ZVHZXABRSA-N 400.866 2.786 50 40 HFGB CCOc1ccc(C(=O)NNC(=O)c2ccc(OC[C@H]3CCCO3)cc2)cc1OC 6559769 FCOSZDIZTMFWDN-GOSISDBHSA-N 414.458 2.727 50 40 HFGB Cc1ccc(O[C@@H](C)C(=O)NNC(=O)COc2ccc(Br)cc2)cc1 8038296 HSFNKZZKLXWXSD-ZDUSSCGKSA-N 407.264 2.751 50 40 HFGB CCOCCN1C(=O)/C(=N\NC(=O)c2cccc(Br)c2)c2ccccc21 59461513 FYAQSLGTNNZHCK-FXBPSFAMSA-N 416.275 2.966 50 40 HFGB O=C(CCl)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(C(F)(F)F)c1 9383533 DZYHZFOADADYHW-NGZWOASGSA-N 412.842 2.546 50 40 HFGB COc1ccc(N2C(=O)C[C@H](NNC(=O)c3cc(Cl)ccc3Cl)C2=O)cc1 102922020 QLMPZUUEECNAGR-HNNXBMFYSA-N 408.241 2.569 50 40 HFGB CCCOc1ccc(N2C(=O)C[C@H](NNC(=O)c3ccc(Cl)cc3)C2=O)cc1 2235390 FVYBNAQSEWLOCX-KRWDZBQOSA-N 401.850 2.695 50 40 HFGB COC(=O)c1c(NC(=O)C(=O)N/N=C/c2sccc2C)sc2c1CCCC2 2416402 QYRCWOUSPMLPHS-DJKKODMXSA-N 405.501 2.872 50 40 HFGB Cc1cccc(N(CC(=O)N/N=C/c2ccncc2)S(=O)(=O)c2ccccc2)c1 408881352 KYWUVVNSLJINRV-HZHRSRAPSA-N 408.483 2.736 50 40 HFGB O=C(NNC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1)c1ccccc1 409225234 NQSNFNMQDAOXRE-UHFFFAOYSA-N 404.382 2.922 50 40 HFGB O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc(Cl)cc1 3447435 SFRXNWAHWINKRR-UHFFFAOYSA-N 421.906 2.589 50 40 HFGB O=C(C[C@@](O)(c1nc2ccccc2s1)C(F)(F)F)NNC(=O)c1ccccc1 14187862 LPEAACBMMHSNFU-QGZVFWFLSA-N 409.389 2.898 50 40 HFGB COc1ccc(CCNC(=O)CC(=O)N/N=C\c2ccc(SC)cc2)cc1OC 408979301 MIUHARQCUHOSSC-UCQKPKSFSA-N 415.515 2.625 50 40 HFGB CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)/C=C/C(=O)O)cc2)cc1 5840168 YXBHMEMVPXRPTM-OUKQBFOZSA-N 409.442 2.638 50 40 HFGB O=C(CCl)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)cc1Cl 101308905 CRQDTLOVLYYAAO-SJZWRUIUSA-N 413.735 2.834 50 40 HFGB N#C/C(=C\c1ccc(OCC(N)=O)cc1)C(=O)Nc1ccccc1Br 408766393 PWJYQLJNXNWOLQ-UKTHLTGXSA-N 400.232 2.859 50 40 HFGB O=C(N/N=C/c1ccccc1I)C(=O)Nc1cccc(F)c1 3151132 LIQCANQRVYUYDW-GIJQJNRQSA-N 411.174 2.519 50 40 HFGB C/C(=N\NC(=O)c1ccccn1)c1ccc(/C(C)=N/NC(=O)c2ccccn2)cc1 4474040 ANICWOAGXQFJHH-RYQLWAFASA-N 400.442 2.785 50 40 HFGB O=C1Nc2ccccc2/C1=N\NC(=O)c1cccc(N/N=C2/C(=O)Nc3ccccc32)c1 9140570 LUGCWYRHMBYDNU-UHFFFAOYSA-N 424.420 2.541 50 40 HFGB CCn1c(NNC(=O)c2cnn(-c3ccccc3C)c2C)nc2ccccc2c1=O 40080102 BVBWDCQRTNVLPD-UHFFFAOYSA-N 402.458 2.976 50 40 HFGB CCn1c(SCC(=O)NNC(=O)c2ccc(Cl)cc2)nnc1-c1cccnc1 877855 FHPXPAURHUCJPG-UHFFFAOYSA-N 416.894 2.567 50 40 HFGB COc1cc2c(cc1OC)C1=C[C@@]3(C(=O)Nc4ccc(F)cc43)C(C#N)=C(N)N1CC2 5421865 DERZWAVKJKEWGB-QHCPKHFHSA-N 418.428 2.639 50 40 HFGB COc1ccc(CCNC(=O)CC(=O)N/N=C/c2ccc(Cl)cc2)cc1OC 5514336 XTNXMTINPPVKFJ-YDZHTSKRSA-N 403.866 2.556 50 40 HFGB C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)COc1cccc(F)c1 8242243 JWGDIEBDJCOREX-NSHDSACASA-N 411.227 2.582 50 40 HFGB Cc1cc(S(=O)(=O)NNC(=O)c2cc3c(s2)CCC3)ccc1Br 14197416 RMEZLIHHPNJVLJ-UHFFFAOYSA-N 415.334 2.931 50 40 HFGB Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N/N=C/c2cccc(O)c2)cc1 15229778 RDEUGFUCLYHWDQ-DBRLUCFCSA-N 403.504 2.544 50 40 HFGB COc1cccc(/C=N\NC(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)c1 33635874 MTXAKWPDYLZPOM-HMAPJEAMSA-N 411.483 2.619 50 40 HFGB C[C@@H]1CCCN(c2ccc(/C=C(\C#N)c3nn(CCO)c(N)c3C#N)cc2[N+](=O)[O-])C1 408974252 XYXSKTCHHZVOPY-BRYYZUPOSA-N 421.461 2.538 50 40 HFGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(C)c2C)cc1 409257933 UVRSAXABFOLSDQ-ANDSAHIGSA-N 424.501 2.686 50 40 HFGB COC(=O)c1ccc(/C=C/C(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)cc1 7983343 HREKHXDPJYYOME-DHZHZOJOSA-N 403.394 2.871 50 40 HFGB O=C(N/N=C/c1sc(=O)[nH]c1-[n+]1ccc(-c2ccncc2)cc1)c1ccccc1 13237255 GRYAHISAUSLYBZ-UHFFFAOYSA-O 402.459 2.539 50 40 HFGB N#CCC(=O)N/N=C(\C[C@]1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccco1 17176561 MNZABRQENXPLLL-ZTBJCTOSSA-N 407.213 2.550 50 40 HFGB CC1(C)[C@H]2CC[C@]1(C)/C(=N/NC(=O)COC(=O)CCCNC(=O)c1ccco1)C2 102446589 OMXMVFSNDNPBHU-PBHUNFFMSA-N 403.479 2.651 50 40 HFGB CC1=C(C)[C@H](NNC(=O)c2ccc([N+](=O)[O-])c(C)c2)N(Cc2ccc(F)cc2)C1=O 199418125 YFLPPIUNHPQWRT-LJQANCHMSA-N 412.421 2.982 50 40 HFGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2c(C)cccc2C)cc1 409266687 XTHIMYBWKIGJRC-PDERCVKFSA-N 424.501 2.686 50 40 HFGB CCn1c(SCC(=O)N/N=C2/C(=O)Nc3ccccc32)nnc1-c1ccc(C)cc1 1804722 WQLZTIVQJCQBBU-UHFFFAOYSA-N 420.498 2.838 50 40 HFGB O=C(COC(=O)c1ccccc1Cl)NNC(=O)c1ccc(Br)cc1 3507174 QXSSSVWPSBWFAF-UHFFFAOYSA-N 411.639 2.721 50 40 HFGB COc1ccc(C(=O)N/N=C2\C(=O)Nc3ccc(Br)cc32)cc1OC 6007204 TWQWXHAAQGCNFH-UHFFFAOYSA-N 404.220 2.553 50 40 HFGB CCCOc1ccc(/C=N/NC(=O)CN(c2ccccc2F)S(C)(=O)=O)cc1 20211700 DAIMTVRUPHOQIU-FYJGNVAPSA-N 407.467 2.531 50 40 HFGB O=C(NN[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O)c1ccccc1Br 96300106 BQNOJMCGNFGAFP-AWEZNQCLSA-N 422.666 2.669 50 40 HFGB O=C(CCl)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1c(Cl)cccc1Cl 101303905 NPSZNSAWIDTEEQ-CTDHJJECSA-N 413.735 2.834 50 40 HFGB O=C(N/N=C/c1ccc(O)c(I)c1)c1ccc([N+](=O)[O-])cc1 408961399 BZBYOSRVYXCKKA-LZYBPNLTSA-N 411.155 2.669 50 40 HFGB COCCCNC(=O)/C(C#N)=C/c1c(Oc2ccccc2)nc2ccccn2c1=O 2410621 BNXIVLAPJGLZQU-JQIJEIRASA-N 404.426 2.546 50 40 HFGB O=C(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N/N=C/c1cc(Br)ccc1O 59384084 SWSJAPAGVMIBGA-CAOOACKPSA-N 423.179 2.664 50 40 HFGB Cc1c(C(=O)N/N=C\c2ccc(Cl)cc2)nn(-c2ccc(F)cc2)c(=O)c1C#N 409055971 DLRSTICVYXCIGL-MYKKPKGFSA-N 409.808 2.969 50 40 HFGB COc1ccc(NC(=O)C/C(C)=N/NC(=O)COc2ccc(C)cc2)c([N+](=O)[O-])c1 4409415 QLSGPHHNXUGHCM-HYARGMPZSA-N 414.418 2.812 50 40 HFGB CCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C(/C)c2cccc([N+](=O)[O-])c2)c1 6139225 XHVLHOTUTXRYTE-ZHZULCJRSA-N 418.475 2.779 50 40 HFGB COC(=O)COc1cccc(/C=N/NC(=O)c2cc(Br)ccc2OC)c1 8812867 ZBKGRCZHHHCXFV-KEBDBYFISA-N 421.247 2.773 50 40 HFGB O=C(NNC(=O)c1cccs1)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 14245572 MOMODGOVFYQSMU-UHFFFAOYSA-N 419.459 2.763 50 40 HFGB Cc1occc1C(=O)NNC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1 40143147 KMJCNPJKRLOEDR-UHFFFAOYSA-N 405.457 2.525 50 40 HFGB COC(=O)c1cc(OC)c(OC)cc1N/C=C(\C#N)S(=O)(=O)c1ccccc1 101430712 UKIRXHUTEFKXMJ-WYMLVPIESA-N 402.428 2.741 50 40 HFGB C[C@@H](C(=O)N/N=C/c1ccc(Br)cc1)N(c1ccccc1)S(C)(=O)=O 408907815 SNNQKMYBKWKJNA-HCZVKUGISA-N 424.320 2.754 50 40 HFGB