smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCCCCc1c(CBr)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586984384 KQZFHZLNKYGZJO-UHFFFAOYSA-N 410.311 5.779 50 1 HKGF CCO[C@@H](C)c1nc(C)c(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)s1 587014423 LPCICEJYVYRVRA-VIFPVBQESA-N 413.437 6.750 50 1 HKGF O=C(Nc1cc2c3c(cccc3c1)C(=O)OC2=O)c1sc2ccccc2c1Cl 95583100 DEHAPWWKWFCWSE-UHFFFAOYSA-N 407.834 5.271 50 1 HKGF N#CSC[C@]1(c2ccccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587609375 VFTIKJZTYBXCHU-DENIHFKCSA-N 423.877 5.117 50 1 HKGF Cc1c([C@@]2(CBr)c3c(F)cccc3C[C@@H]3CCCN32)oc2ccccc12 963102017 JYMCRMOZACVFEW-KSFYIVLOSA-N 414.318 5.539 50 1 HKGF CCO/C(O)=C1\C(C)=NC(C)=C(C#N)[C@@H]1c1cnccc1-c1ccc2ccccc2c1 34802508 SZRMPCOHAQBNIN-NPJIAGGLSA-N 409.489 6.064 50 1 HKGF C[C@@H](CC(=O)N(C)[C@@H](C[C@H](C)C(Cl)Cl)c1nccs1)C(Cl)Cl 140559138 JRFXZSKOZMIYDX-GUBZILKMSA-N 406.206 5.302 50 1 HKGF C[C@@H]1CC[C@H]2[C@@H](CCCc3ccc(Cl)cc3)C(=O)O[C@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 169371262 PVKNOCBVDQYQDN-VAJCEEGVSA-N 420.933 5.051 50 1 HKGF C[C@@H](c1ccc(CBr)cc1)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 586974527 XOAYNQXIQCOJRX-VIFPVBQESA-N 401.201 5.768 50 1 HKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)C1CCCCC1 587539227 UWYJXPSMHMIQMY-RXVVDRJESA-N 417.299 5.068 50 1 HKGF CCn1c(C)cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587690160 ZRGQTXUZVDZTIG-WLRWDXFRSA-N 413.762 5.043 50 1 HKGF O=C(N/N=C\c1ccco1)c1cc(-c2cccc(Br)c2)nc2ccccc12 13108588 KVQFATWUVCEUNI-QRVIBDJDSA-N 420.266 5.021 50 1 HKGF CC1=CC=C(Br)C(C)(C)[C@@]12C[C@H](Br)[C@@](C)(Cl)C[C@@H]2O 13449922 TUPUUXBXXLYXLR-JURCDPSOSA-N 412.593 5.153 50 1 HKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](Sc3ccc(Cl)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 1857564339 ZMGJSAWGVDXIDQ-YBVSZUDCSA-N 410.963 5.640 50 1 HKGF CCCCCC=CC[C@@H](O[Si](C)(C)C)[C@H](CCCCCCCC(=O)OC)OC 2356514834 NVKODTLOGVHURD-FCHUYYIVSA-N 414.703 6.652 50 1 HKGF C[C@]1(c2ccc(Cl)cc2)C=C(c2ccc(Cl)cc2)C(C#N)=C(C(C#N)C#N)N1 31905387 RBSFYGVGZODGDR-JOCHJYFZSA-N 405.288 5.336 50 1 HKGF CC(C)c1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587542279 GKFMQUNOTLGMHX-ZJSXRUAMSA-N 408.881 5.612 50 1 HKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Cl)c(CCl)c1 587880874 FLDJUMBHICPIGA-UHFFFAOYSA-N 401.120 5.096 50 1 HKGF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@@H](Cl)CCCCCCCCC3 586986590 NTKIBCUUMOAYSQ-IBGZPJMESA-N 419.952 7.109 50 1 HKGF CN(C)/C=C(\C#N)[C@@]1(c2ccccc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587507435 QMTSZQWPTGCQQB-VUNQTZOZSA-N 406.913 5.049 50 1 HKGF Cc1ccc([C@]2([C@@H](C)Br)c3c(F)cccc3C[C@H]3CCCN32)cc1Cl 963097652 HDFQAEXNZKRQRJ-SOIKWTOOSA-N 422.769 5.835 50 1 HKGF C[C@@H](C[C@H](c1nccs1)[C@@H](C)C(=O)C[C@@H](C)C(Cl)Cl)C(Cl)Cl 2356827393 HQFFUEINDWYIBI-ZDCRXTMVSA-N 405.218 6.092 50 1 HKGF Fc1c(F)c(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c(F)c(F)c1S 587135389 YVTXHBYNWBSXJA-UHFFFAOYSA-N 424.313 6.732 50 1 HKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCCl)(c2ccc(Cl)cc2)N1 587685844 RUZBARWLTUWKHW-ADLMAVQZSA-N 417.149 5.648 50 1 HKGF C=C1C[C@@H](O)[C@@H](Br)C(C)(C)[C@]12CC[C@@](C)(Cl)[C@@H](Br)C2 1660795 KKDUTGUFMQDATD-OGMFBOKVSA-N 414.609 5.028 50 1 HKGF Cc1cc(C)c([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)c1 587328902 WNWNYBTZATUUID-NOZRDPDXSA-N 424.899 5.950 50 1 HKGF Br[C@H]1CCCCCCCCCC[C@]12NCCc1nc3ccccn3c12 962986462 UIGLIKMAFXCQNO-RXVVDRJESA-N 404.396 5.353 50 1 HKGF C=C1CC[C@H](OO)CC1=CC=C1CCC[C@]2(C)[C@@H]1CC[C@@H]2[C@H](C)C=C[C@@H](C)C(C)C 2356746109 UZDFTFHQIQFFDP-CTTJLYQUSA-N 412.658 8.138 50 1 HKGF CC[C@H](c1ccc(O)cc1)[C@@H](CC)c1ccc(OC[C@H](O)CBr)cc1 27518011 LPIKREBYEDEYPJ-NRSPTQNISA-N 407.348 5.214 50 1 HKGF CC1=C(CC/C(C)=C/CC/C(C=O)=C\C[C@@H](O)C2=CC(=O)OC2)C(C)(C)CCC1 238765550 CVXAFDSSBXFDSR-KXUMGZKHSA-N 400.559 5.379 50 1 HKGF CCC=CCC[C@H](CC=CCCCCCCCCCC(=O)OC)O[Si](C)(C)C 2356592513 AUSXKZJNXQIEEH-HSZRJFAPSA-N 410.715 7.583 50 1 HKGF C=C1CC[C@@H]2C(C)(C)[C@@H](Br)CC[C@]2(C)[C@@H]1Cc1cc(O)c(C=O)cc1O 5963957 KYHAUNCXNLJHDG-ALOBAPJISA-N 421.375 5.625 50 1 HKGF COC(=O)[C@@H](C)[C@H]1CC[C@](C)(CCC/C(C)=C/C[C@@H]2C(C)=CCCC2(C)C)OO1 43544048 GTRMWSMRZUVWBH-URVILCBOSA-N 406.607 6.554 50 1 HKGF C[C@@H](Br)[C@]1(c2cccc(Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587499823 PLIFDIPFWIOHJZ-ASSNKEHSSA-N 419.746 5.863 50 1 HKGF CCc1ccc([C@]2([C@@H](C)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587689478 SVJLEJZHSULNGE-IZDJOXEWSA-N 410.758 5.556 50 1 HKGF C[C@H](CCCCCCCCCc1ccccc1)C[C@]1(C)C[C@@H](C)[C@H](CC(=O)O)OO1 2356483246 GMTBZACDABXTKT-WUUJFSMWSA-N 418.618 6.966 50 1 HKGF Cc1ccc(/C=C(/C#N)c2nc3cc(Br)c(Br)cc3[nH]2)cc1 587189088 ZRXXEONFCJYVGT-SDQBBNPISA-N 417.104 5.461 50 1 HKGF C/C(=C/CC[C@@H](C)CC(=O)[C@H](O)[C@@H](C)Cl)CCCc1coc(Cc2ccoc2)c1 34363970 WHSPRQDLSQTWAX-JPCMIABYSA-N 420.977 6.096 50 1 HKGF O=C1C[C@](CCCl)(c2ccc(Cl)c(Cl)c2)Oc2c1ccc1c2CCCC1 587499529 UYJUBCPUMAQVLK-OAQYLSRUSA-N 409.740 6.362 50 1 HKGF C=C1C[C@H](O)[C@H](Br)C(C)(C)[C@@]12CC[C@@](C)(Cl)[C@H](Br)C2 1655200 KKDUTGUFMQDATD-SZWZKDINSA-N 414.609 5.028 50 1 HKGF CC1(C)[C@]2(Cl)[C@@H](Cl)[C@@H](Cl)[C@@](Cl)(C(Cl)Cl)[C@@]1(Cl)[C@@H]2Cl 15449108 DVEYBSZJQZPNLT-DLEQWSHMSA-N 413.814 5.599 50 1 HKGF C=C(c1ccc(-c2ccccc2)cc1)[C@@H]1COC2(CCC(=CC(=O)OCC)CC2)OO1 44221660 KHHMYEXDSKGWPP-QSAPEBAKSA-N 420.505 5.474 50 1 HKGF Cl[C@@H]1[C@H](Cl)C[C@@H]2[C@H]1[C@]1(Cl)[C@H](Cl)[C@H](Cl)[C@]2(Cl)C1(Cl)Cl 100066737 AHDSBZOIXGOWCI-JHRXYVKBSA-N 411.798 5.208 50 1 HKGF in-vitro CC(C)CCC[C@H](C)CCO[C@@H]1CCO[P@](=O)(NCCCl)N1CCCl 299862688 KBDQOZHXGZTWMM-RJYGXOMWSA-N 417.358 5.079 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(C(C)C)cc1)([C@@H](C)Br)O2 587370860 CKZZTMLWERAVHU-SZNDQCEHSA-N 402.332 5.345 50 1 HKGF O=C1C[C@@](CBr)(c2cc(F)ccc2F)Oc2c1ccc1c2CCCC1 587508656 WQQCQGLFDRLVSF-HXUWFJFHSA-N 407.254 5.099 50 1 HKGF CCCCCC[C@@]1(CBr)N[C@@H](C)Cc2cc(Br)c(F)cc21 587673272 LVNKKVHVEHZJLX-SJCJKPOMSA-N 421.192 5.683 50 1 HKGF Fc1ccccc1[C@]1(CBr)c2ccsc2CCN1Cc1ccco1 962711711 UQZBWCQYHVILSX-LJQANCHMSA-N 406.320 5.177 50 1 HKGF C[C@@H](CCC[C@H](C)CCCCc1ccccc1)C[C@]1(C)C[C@H](C)[C@@H](CC(=O)O)OO1 2356493231 LSXRGRHXZNJETP-UOIREZJNSA-N 418.618 6.822 50 1 HKGF N#CC(C#N)=C1SC(=Nc2ccccc2)C(=Nc2ccccc2)N1c1ccccc1 263591206 MLADKRXBDKHQRM-UHFFFAOYSA-N 405.486 5.959 50 3 HKGF N#CC(C#N)=Cc1ccc(-c2ccc(O)c(C34CC5CC(CC(C5)C3)C4)c2)c(Cl)c1 40587759 YDLSOCFKTHTTLD-UHFFFAOYSA-N 414.936 6.611 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)([C@@H](Br)c1ccccc1)O2 587374271 OVFLLDWLXGRVRM-XZOQPEGZSA-N 422.322 5.574 50 1 HKGF O=C1C[C@](c2ccccc2)(c2ccc(N=C=S)cc2)Oc2c1ccc1c2CCCC1 587529963 AHGIJOIBYGHEKL-SANMLTNESA-N 411.526 6.209 50 1 HKGF CC(=CC=C[C@H](C)CCC[C@H](C)CC(=O)[C@@H](O)[C@H](C)Cl)CCCc1ccoc1 2356593906 BCXQDRHCGIEATA-FVLCUVFVSA-N 409.010 6.495 50 1 HKGF C=C(C)[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)OO 44359758 UEYFSWJEKNBMRD-XWXSNNQWSA-N 416.646 6.777 50 1 HKGF Cc1cc(/C=C(/C#N)c2nc3ncc[nH]c-3n2)c(C)n1-c1cccc(Cl)c1Cl 587054122 CDPBSLZASRVOBF-ZROIWOOFSA-N 409.280 5.083 50 1 HKGF COc1ccc(-c2nnc(-c3ccc4nc(/C(C#N)=C/c5ccccc5)[nH]c4c3)o2)cc1 587189196 ZIGXWQIZUQXBMV-CPNJWEJPSA-N 419.444 5.353 50 1 HKGF C[C@H](Cl)[C@@]1(c2ccc(F)c(F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 587724735 LUEFJMGNYZQZSB-JJQCHNSYSA-N 418.684 5.272 50 1 HKGF C=C(c1ccc2ccccc2c1)C1CCC2(CC1)CO[C@H](Nc1ccc(C)cc1)OO2 64447302 YBEPTBMNCWEZGB-NGRVGSHDSA-N 415.533 6.465 50 1 HKGF CCCc1c(O)ccc2c1O[C@](c1ccccc1F)([C@H](C)Br)CC2=O 587467061 PUIISOFRLIAQQS-YUNKPMOVSA-N 407.279 5.128 50 1 HKGF O=C(CCl)Nc1c(-c2ccccc2Br)[nH]c2ccc(F)c(Cl)c12 587628631 PDGDKIPLFFTDNW-UHFFFAOYSA-N 416.077 5.567 50 1 HKGF COc1ccc([C@@]2([C@@H](C)Cl)NCCc3cccc(-c4ccccc4)c32)c(OC)c1 962666048 MEAMTCWBEWRRPV-CRICUBBOSA-N 407.941 5.387 50 1 HKGF C/C(=C/C=C/[C@]1(C)CCCc2ccoc21)CCC[C@H](C)CC(=O)[C@@H](O)[C@H](C)Cl 36401360 IGLKUNSGZGFDPG-QMEHVTIMSA-N 406.994 6.130 50 1 HKGF COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@H](c2ccc4ccccc4c2)C3)cc1 64549171 KUDKUSIIILYPDS-NBGIEHNGSA-N 422.484 5.057 50 1 HKGF O=C(O)C[C@@H]1CC[C@@H]([C@@H]2CC[C@@H](CCCCCC[C@@H]3/C=C/C=CC=CC3)O2)OO1 169328002 DIHXQPVNIPQBLK-RZZBTLPSSA-N 404.547 5.517 50 1 HKGF COc1cc2c3c(c1)O[C@@](CCCCl)(c1ccc(Br)cc1)[C@@H](C2)C3=O 587416826 GHOFOBBIHLYMSL-JXFKEZNVSA-N 421.718 5.120 50 1 HKGF CCCc1c(O)ccc2c1O[C@](CCCl)(c1ccc(C(C)(C)C)cc1)CC2=O 587460496 NGMXNZBCWBGKRN-DEOSSOPVSA-N 400.946 6.132 50 1 HKGF C[C@@]1([C@H](Br)Cc2ccccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587500765 CVEJLQVYAXRZPE-IRLDBZIGSA-N 417.318 5.435 50 1 HKGF CSc1ccc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587530822 FCQUZNQIQLNTRM-OAQYLSRUSA-N 417.368 5.543 50 1 HKGF Cc1cccc2[nH]cc([C@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c12 587543834 LUCNCWQUEZIXHB-QPPBQGQZSA-N 419.864 5.278 50 1 HKGF N#CC(C#N)=C1C=CC=CN1/C(=C\c1ccco1)C(=O)c1ccc(-c2ccccc2)cc1 4070306 TZLAJPOBNFLQNP-ONUIUJJFSA-N 415.452 5.857 50 3 HKGF aggregator O=C1c2ccc(O)cc2O[C@@](CCl)(Cc2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 587332874 KGGKACCRSIGLSB-FYYLOGMGSA-N 414.835 5.250 50 1 HKGF CC1(C)CC(=O)Nc2ccc([C@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)cc21 587499602 WEOHYPUSPSFKNX-RUZDIDTESA-N 423.940 5.285 50 1 HKGF C=C(c1ccc(-c2ccccc2)cc1)[C@H]1COC2(CCC(=CC(=O)OCC)CC2)OO1 44221656 KHHMYEXDSKGWPP-RMVMEJTISA-N 420.505 5.474 50 1 HKGF O=C(O)C[C@@H]1CC[C@@H]([C@H]2CC[C@H](CCCCCC[C@@H]3/C=C/C=C/C=CC3)O2)OO1 169328636 DIHXQPVNIPQBLK-AHHIZIDVSA-N 404.547 5.517 50 1 HKGF Cc1cc([C@H](Cl)c2ccc(Br)cc2)nc(Nc2ccc(C#N)cc2)n1 169349005 IAFQCKCOYJQLEZ-GOSISDBHSA-N 413.706 5.491 50 1 HKGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc(F)cc2F)[C@@H]1c1ccc(F)cc1 587333343 NJSNHDCHFGKGQM-IRLDBZIGSA-N 418.798 5.303 50 1 HKGF Cc1cc(C)c2c(c1)OC=C(C=O)[C@]21c2ccccc2CCN1[C@@H](C#N)c1ccccc1 963199777 DCZHVQRDFZGLJE-LSYYVWMOSA-N 420.512 5.145 50 1 HKGF C[C@H](/C=C/C=O)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O 1857644761 CCJVWIRNBWFUIL-GANRMQLLSA-N 412.614 5.667 50 1 HKGF C/C(=N\NC(=O)N/C=C/c1ccc(C(C)(C)C)cc1)c1ccc(C2CCCCC2)cc1 1857755601 KUNBOOHPNWNYBU-KCKUAINVSA-N 417.597 6.726 50 1 HKGF CC(C=O)=CCCC(C)=CCCC(C)=CCC[C@]1(C)CCc2cc(O)cc(C)c2O1 2356700481 OKDOOPKXOAEBFT-HHHXNRCGSA-N 410.598 7.163 50 1 HKGF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587268161 MKTGVMSGEFZWGB-UHFFFAOYSA-N 411.356 5.497 50 1 HKGF O=C(Cl)c1ccccc1[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587495009 BFYNGADEKXNZRZ-AREMUKBSSA-N 416.904 5.853 50 1 HKGF CCOc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1CCl 587544745 NROKLECPNWUVSS-URXFXBBRSA-N 424.880 5.407 50 1 HKGF N#CSC[C@@]1(c2cccc(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587606910 JLIYYSDBZLHECV-UGKGYDQZSA-N 423.877 5.117 50 1 HKGF COc1ccc([C@]2([C@H](C)Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587687787 HYYWDVLGWZMHTK-ZKTNFTSUSA-N 412.730 5.002 50 1 HKGF CCc1ccc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)s1 587850077 XANPQLXECFYNKK-BMLIUANNSA-N 402.760 5.229 50 1 HKGF CCCN1[C@H](C)Cc2ccccc2[C@]1(/C(C#N)=C\c1ccccc1[N+](=O)[O-])C(C)(C)C 963228632 MEZOHIGELKAJKW-ABYUIUGKSA-N 417.553 6.100 50 1 HKGF CC(=O)OC=CC(=COC(C)=O)CCC=C(C=O)CCC=C(C)CCC=C(C)C 2356669142 NTRHQXONGRWBSG-UHFFFAOYSA-N 402.531 5.889 50 1 HKGF CCN(CC)c1ccc2c(c1)OC(/N=C/N(C)C)=C(C#N)[C@H]2c1ccc(Cl)cc1 66074605 TXRZNLGURJQSPC-WGLQLPMYSA-N 408.933 5.036 50 1 HKGF COC(=O)[C@@H](C)[C@@H]1CC[C@@](C)(CC[C@H]2[C@H](C)CC[C@]3(O)C(C)(C)CCC[C@]23C)OO1 238741239 WCYWWYZSPHIFJY-FQGZNEJWSA-N 424.622 5.439 50 1 HKGF Cc1ccc(/C=C(/C#N)c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc1 587188091 NIOQVIXUCOOICG-SDQBBNPISA-N 422.204 5.597 50 1 HKGF C[C@H](Cl)[C@@]1(Cc2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587324603 RQPYVJKSKXOKRW-BQNIGPCOSA-N 410.872 5.499 50 1 HKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2c[nH]c3ccccc23)([C@@H](C)Cl)N1 587686944 DORLUAGOJAKJOG-FKANQGBASA-N 421.741 5.475 50 1 HKGF CCCCOc1cc2nc(/C(C#N)=C/c3ccc(C)cc3)[nH]c2cc1Br 587188405 RMNGHDHGAJKMRT-MHWRWJLKSA-N 410.315 5.877 50 1 HKGF O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc3c(c2)COC3)[C@H]1c1ccc(F)cc1 587330035 ZXAUJYJEMMEXOT-LADGPHEKSA-N 424.855 5.055 50 1 HKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C[C@@H](Br)c1ccccc12 587542426 HDKMGEAQNYRTHC-WVBUVRCRSA-N 423.262 5.089 50 1 HKGF C=C(C)[C@]1(CCC(C)=CCCC(C=O)=CC[C@H](O)C2=CC(=O)OC2)CCC[C@@H]1C 2356309456 JBWGQHJYPJOQEK-GRYUFTJMSA-N 400.559 5.235 50 1 HKGF C[C@H](CCCCCCC=CC=Cc1ccccc1)C[C@]1(C)C[C@@](C)(CC(=O)O)OO1 2356503366 GBVSDTSXHOBZRG-DNRSQYFGSA-N 414.586 6.967 50 1 HKGF C=C1C[C@@H](O)[C@@H](Br)C(C)(C)[C@]12CC[C@](C)(Cl)[C@@H](Br)C2 6004306 KKDUTGUFMQDATD-MIBAYGRRSA-N 414.609 5.028 50 1 HKGF CC(=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=O)/C=C/[C@]12O[C@@]1(C)C[C@H](O)CC2(C)C 59211680 QZOYIQGWDBXSHB-SCZFTSJDSA-N 408.582 5.958 50 1 HKGF in-vitro C[C@@H](Cl)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 84669790 JSNOWBZPUCKUDO-KMAFUCPFSA-N 407.082 7.360 50 1 HKGF ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@H](Cl)[C@@]4(Cl)O[C@@H]4[C@@H]3[C@@]1(Cl)C2(Cl)Cl 100898131 VWGNQYSIWFHEQU-KWFFDFRBSA-N 423.765 5.019 50 1 HKGF in-vitro CCOC(=O)[C@@H](Cl)c1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1C 587356873 AUUUUZVZTPCNGA-IBGZPJMESA-N 409.869 5.808 50 1 HKGF COc1ccc2c(c1)CCC=C2Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587936164 ZTHUZSLDJLNYRQ-UHFFFAOYSA-N 416.415 6.801 50 1 HKGF CCCc1ccc(-n2c(C)cc([C@]3(CCl)NCCc4ccc(F)c(C)c43)c2C)cc1 962373778 JEOGPFJGQKWJHP-SANMLTNESA-N 424.991 6.122 50 1 HKGF CC(C)[Si](O[C@@H]1C2=C[C@H]3[C@H](O)[C@@H](O)[C@H]4[C@H]5C[C@H]3[C@@]2(CC1(C)C)[C@H]54)(C(C)C)C(C)C 2356729033 ASLTZPZDWYLWKE-MLNIPZFMSA-N 418.694 5.137 50 1 HKGF COC(=O)C[C@@]1(O)CC[C@](C)(C[C@H](C)CCCCCC/C=C/c2ccccc2)OO1 49775021 SFMXRZYCEROIED-CSUCZEMJSA-N 418.574 5.819 50 1 HKGF COc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587326070 JOGVTANMCWOLOC-GGAORHGYSA-N 412.844 5.033 50 1 HKGF CC[C@@H](Br)[C@@]1(c2ccc(Cl)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587415501 UIFKANYVIANYHZ-MDYRTPRTSA-N 421.718 5.165 50 1 HKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2csc3ccccc23)N1 587858786 UJOWOZJSOJUNKE-WLRWDXFRSA-N 424.766 5.820 50 1 HKGF Cc1cc2c(cc1F)[C@@](CCCCCCl)(c1ccccc1C(F)(F)F)NCC2 962143749 IURJYAXBMUAURP-OAQYLSRUSA-N 413.886 6.341 50 1 HKGF CCc1ccc([C@@]2(CCl)c3ccccc3CCN2[C@H](C#N)c2ccccc2)s1 963188215 AJIIFDDPKYTGQT-ISKFKSNPSA-N 406.982 5.916 50 1 HKGF O=P(Oc1ccccc1)(Oc1ccccc1)[C@@]1(O)c2ccccc2C[C@@H]1Cl 103235362 ISSIRYDMNWXMRJ-SFTDATJTSA-N 400.798 5.346 50 1 HKGF O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc3c(c2)CCC3)[C@@H]1c1ccc(F)cc1 587325708 GWFANYBSJOOKII-ILBGXUMGSA-N 422.883 5.513 50 1 HKGF Fc1ccc([C@@H](Cl)Cn2ncc3c(NCc4ccccc4Cl)ncnc32)cc1 29135911 LXSFCABPGHRETH-SFHVURJKSA-N 416.287 5.211 50 1 HKGF C=C[C@@](C)(O)CC[C@@H]1C(=C)CC[C@H](Br)[C@@]1(C)CC[C@H](O)C(C)(C)Cl 473121202 GFQPXXIINCHFHC-QQBOBMDFSA-N 421.847 5.598 50 1 HKGF CCCCCOc1cc2nc(/C(C#N)=C/c3ccc(C)cc3)[nH]c2cc1Br 587189100 ZUPGWGMFYNNBQZ-GZTJUZNOSA-N 424.342 6.267 50 1 HKGF C[C@H](CCCCCCC=Cc1ccccc1)C[C@]1(C)CC[C@](O)(CC(=O)O)OO1 2356332530 FQNCIZGCBWUVSG-FGCOXFRFSA-N 404.547 5.731 50 1 HKGF C[C@@]1(c2cccc(N=C=S)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587378738 WIRUKCYJYQRVJU-GMAHTHKFSA-N 405.450 5.540 50 1 HKGF O=C(CCl)Nc1c(-c2ccccc2Br)[nH]c2cc(Cl)c(F)cc12 587628978 WZEPZZUFERMYRP-UHFFFAOYSA-N 416.077 5.567 50 1 HKGF COc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587326072 JOGVTANMCWOLOC-JTHBVZDNSA-N 412.844 5.033 50 1 HKGF COc1ccc(CCCc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1OC 587924692 AZQJBONHUSABSW-UHFFFAOYSA-N 422.419 6.413 50 1 HKGF Fc1ccc([C@H](Cl)Cn2ncc3c(NCc4cccc(Cl)c4)ncnc32)cc1 29136312 XUDKYQHQWBZMRI-GOSISDBHSA-N 416.287 5.211 50 1 HKGF C=C(c1ccccc1)[C@H]1COC2(CCC(Nc3cc(Cl)cc(Cl)c3)CC2)OO1 43394068 HJMJCBABVUBRRO-NJEKYYFSSA-N 420.336 6.105 50 1 HKGF COC(=O)[C@@H](C)[C@@H]1CC[C@](C)(CC/C=C(\C)CCC2=C(C)CCCC2(C)C)OO1 146542442 KGRANTXTMXDAIF-RWNVOVBXSA-N 406.607 6.698 50 1 HKGF N#CSc1c(-c2ccc(Cl)cc2)nc2sc(Cc3ccc(Cl)cc3)nn12 299828283 IUAGALLTCKBFNF-UHFFFAOYSA-N 417.346 5.929 50 1 HKGF CCCCCC[C@]1(CBr)N[C@@H](C)Cc2ccc(F)c(Br)c21 587672420 FUNSHCNLDYCRNA-YVEFUNNKSA-N 421.192 5.683 50 1 HKGF O=C(O)C[C@@H]1CC[C@@H]([C@@H]2CC[C@@H](CCCCCC[C@H]3C=C/C=C/C=CC3)O2)OO1 195359685 DIHXQPVNIPQBLK-ZDUYCPFISA-N 404.547 5.517 50 1 HKGF C[C@H](c1ccc(CBr)cc1)c1nc2cccc(OCc3ccccc3)c2[nH]1 586974169 RXGQGZDLATWEGF-MRXNPFEDSA-N 421.338 6.189 50 1 HKGF CSc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587613638 OKSPLDIPGQEQAC-DENIHFKCSA-N 412.894 5.210 50 1 HKGF CCOc1ccc(CN(C(=O)C(C)(C)CCl)[C@@H](C)CCCN(CC)CC)cc1 45315430 RAPOTWGBNMNRDS-IBGZPJMESA-N 411.030 5.189 50 1 HKGF CCc1ccc([C@@H]2C(C#N)=C(C)N=C3C[C@@H](c4ccc(Cl)cc4)CC(O)=C32)cc1 103521247 KEDNMKQIZPUPFQ-NTKDMRAZSA-N 402.925 6.628 50 1 HKGF Cc1ccc([C@H](Cl)[C@]2(c3ccc(C)cc3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587371556 GTJQSRXNGBDIGP-LOSJGSFVSA-N 405.925 6.035 50 1 HKGF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1ccsc1CC[C@H]2Br 587536516 VSCDLAUDFYTOQT-UYAOXDASSA-N 403.341 5.197 50 1 HKGF CC[C@H](C)c1ccc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587685882 BPBRGMQUVGHLPL-QTCYRWPVSA-N 424.785 6.118 50 1 HKGF Cc1ccccc1[C@@]1(CCCCCCl)NCCc2cc(-c3ccccc3)ccc21 962663009 NDXIIFRMEXGBRX-HHHXNRCGSA-N 403.997 6.851 50 1 HKGF Cc1cc([C@]2(CCl)c3ccc(F)cc3C[C@H]3CCCN32)c(C)n1CCC(C)C 963102795 RZILDOYAZAGCRR-QPPBQGQZSA-N 402.985 5.793 50 1 HKGF ClC[C@@H](Cc1ccccc1Cl)CN1CCC2(CC1)OCCc1ccsc12 84687315 LRBPXNPMLVTUDC-MRXNPFEDSA-N 410.410 5.363 50 1 HKGF CC1(C)[C@@]2(C)CC[C@@]1(C(=O)Nc1cc(Cl)ccc1Cl)[C@@H](Br)C2=O 169293294 UDOMTLSWGZGSJW-ZLIFDBKOSA-N 419.146 5.091 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@@]([C@H](C)Br)(C13CC4CC(CC(C4)C1)C3)O2 587372404 IOWWVBRUTGZSKW-SPNVETDYSA-N 418.375 5.281 50 1 HKGF Cc1cc(C)c([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 587688322 LHIVKDVIGLMBML-VBKZILBWSA-N 410.758 5.530 50 1 HKGF Cc1ccc(NC(=O)N/N=C2\CC3(CCCCC3)Oc3c2ccc2ccccc32)cc1 1857768007 IXZKCKIIYWFVCT-WEMUOSSPSA-N 413.521 6.159 50 1 HKGF C/C(=N\NC(N)=O)c1ccc2c(c1)nc(-c1ccc(Cl)cc1)n2C1CCCCC1 84709367 LCMNQHHWOZDVBR-VULFUBBASA-N 409.921 5.254 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)n(-c3ccc(F)cc3)c1C)O2 587385785 VDMYKDKGAOZLLH-HSZRJFAPSA-N 412.892 5.223 50 1 HKGF COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1CCl 587544709 NKSFESMIEFXHAK-REWPJTCUSA-N 410.853 5.017 50 1 HKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(F)cc1F 587556321 JJCXDXRKESWQJK-UGKGYDQZSA-N 416.807 5.075 50 1 HKGF CCCC[C@H](O)c1ccc([C@H]2CC[C@@H](Cl)[C@@H]2CCCCCCC(=O)OC)cc1 1772620555 VMUCRUMJZGOYGY-ODAXIHTASA-N 409.010 6.525 50 1 HKGF CC(=CC=C[C@H](C)CCC[C@H](C)CC(=O)[C@H](O)[C@@H](C)Cl)CCCc1ccoc1 2356593907 BCXQDRHCGIEATA-IKQBDLNTSA-N 409.010 6.495 50 1 HKGF CCc1ccc([C@@H]2C(C#N)=C(C)N=C3C[C@H](c4ccc(Cl)cc4)CC(O)=C32)cc1 103521251 KEDNMKQIZPUPFQ-YADARESESA-N 402.925 6.628 50 1 HKGF C=C[C@@](C)(O)CC[C@@H]1C(=C)CC[C@H](Br)[C@@]1(C)CC[C@H](OC)C(C)(C)O 473123423 LOLLYCOUYMZRJI-QBVCYTKMSA-N 417.428 5.006 50 1 HKGF CCCCCOc1cc2nc(/C=C\CBr)[nH]c2cc1Br 586972056 DNTLMQHVWNMVOE-WAYWQWQTSA-N 402.130 5.303 50 1 HKGF CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)cc1)([C@@H](C)Br)CC2=O 587456108 KUXXECDODIIJLD-MPBGBICISA-N 423.734 5.642 50 1 HKGF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2-c2c(C(=O)Cl)cccc21 587460300 SVIIYEOWQBXSID-RUZDIDTESA-N 418.876 5.613 50 1 HKGF O=C1C[C@@](CBr)(c2ccc(Cl)cc2)Oc2c1ccc1c2CCCC1 587500675 UNLAWXTWFVFFOC-HXUWFJFHSA-N 405.719 5.474 50 1 HKGF O=C1c2ccccc2-c2cc([C@H](Cl)C(=O)Nc3ccccc3)nc3ccc(O)c1c23 586986753 UAWPYUWOEVCIIZ-QFIPXVFZSA-N 414.848 5.070 50 1 HKGF NC[C@H](Cc1ccc(Cl)cc1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587068598 ABHATMNVAQHRPY-NSHDSACASA-N 411.827 6.159 50 1 HKGF O=C1C[C@@H](c2ccc(S(F)(F)(F)(F)F)cc2)Oc2c1ccc1c2CCCC1 587511025 ZVFYMYKKWDCSOG-SFHVURJKSA-N 404.400 6.929 50 1 HKGF COc1cccc2c3c(cnc12)CCN[C@]31CCCCCCCCCC[C@@H]1Cl 963046880 LKOMWXXRJXSFGX-URXFXBBRSA-N 400.994 6.106 50 1 HKGF COc1ccc(Cl)c2c1CCN[C@H]2c1ccccc1OCCCCBr 963268945 BPKKZAVPGPJPGS-FQEVSTJZSA-N 424.766 5.138 50 1 HKGF CC1(C)CN[C@](CCCCCCl)(c2ccc(Cl)nc2)c2cc3c(cc21)OCO3 963390448 JSYIHZBZRAIYBJ-JOCHJYFZSA-N 421.368 5.387 50 1 HKGF CCOP(=O)(CC(=O)Nc1cccc(O[Si](C)(C)C(C)(C)C)c1)OCC 1772623342 OBSQPADGEKOMJT-UHFFFAOYSA-N 401.516 5.275 50 1 HKGF C[C@H](C(=O)O)[C@@H]1CC[C@](C)(CC[C@]2(O)[C@H](C)CC[C@]3(C)C(C)(C)CCC[C@]23C)OO1 2356803510 XDZGQQRZJDKPTG-MTSAZYMTSA-N 424.622 5.740 50 1 HKGF C[C@@H]1CC[C@H]2[C@@](C)(/C=C/c3ccc(C(F)(F)F)cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 103190907 DPYQRVJHLHNPAI-DDYRIHPJSA-N 424.459 5.723 50 1 HKGF Cc1ccc2c3c(cc([C@H](Cl)C(=O)Nc4ccccc4)nc13)-c1ccccc1C2=O 586993350 KPLWVQDTCRROQW-QFIPXVFZSA-N 412.876 5.673 50 1 HKGF COc1cc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc(Cl)c1O 587046644 ZNNZICCJPFDTDN-UHFFFAOYSA-N 400.756 6.255 50 1 HKGF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@@H](Br)C3)c1 587359309 XQSPJVQBZRTFMD-CQSZACIVSA-N 408.295 5.909 50 1 HKGF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(CCBr)cc1)CC2=O 587457301 XNDZOTKOGFSUKF-OAQYLSRUSA-N 403.316 5.163 50 1 HKGF CC(C)=CCCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=O 2356490219 AQXFMDSHWVVBIM-UHFFFAOYSA-N 416.649 8.888 50 1 HKGF C=C1C=C[C@@]2(Br)O[C@@H]3C[C@](C)(Cl)[C@@H](Br)C[C@@]13C2(C)C 256600455 SCVKJKKRVLDQHS-WPTOEGHWSA-N 410.577 5.170 50 1 HKGF Fc1cc(C(F)(F)F)ccc1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587110121 SPQDZACTNZHXFM-UHFFFAOYSA-N 406.273 7.045 50 1 HKGF Cc1cccc2[nH]cc([C@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)c12 587683969 IQTXUCVWRXRBHW-FKIZINRSSA-N 421.741 5.395 50 1 HKGF Cc1cc(F)c([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1F 587722898 UDDJNQWGQUWKFQ-XTZNXHDOSA-N 418.684 5.191 50 1 HKGF CCCN1[C@H](C)Cc2ccccc2[C@]12CCCCCCCCCC[C@H]2Br 963231096 PYPIXTNTQNOMHB-HUVFLSCGSA-N 420.479 7.217 50 1 HKGF Fc1ccc([C@@H](Cl)Cn2ncc3c(NCc4cccc(Cl)c4)ncnc32)cc1 29136310 XUDKYQHQWBZMRI-SFHVURJKSA-N 416.287 5.211 50 1 HKGF Cc1ccc(C2OOC(c3ccc(/C=N/C4C5CC6CC(C5)CC4C6)cc3)OO2)cc1 72173152 UFNXKHZKLAFLGD-JFLMPSFJSA-N 419.521 5.846 50 1 HKGF C[C@@]1(c2cccc(S(F)(F)(F)(F)F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587510089 UTFZKEYSWMIPDE-FQEVSTJZSA-N 418.427 7.103 50 1 HKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCCl)(c2ccc(F)cc2F)N1 587724446 IBMVATBWXBJTNO-XTZNXHDOSA-N 418.684 5.273 50 1 HKGF C[C@@H](Br)[C@@]1(c2ccccc2)c2ccsc2CCN1Cc1ccco1 962701904 FHEKOGQKINENAZ-FOIQADDNSA-N 402.357 5.426 50 1 HKGF O=C(Cc1ccccc1Nc1c(Cl)cccc1Cl)N/N=C/C=C/c1ccccc1 29123302 IIQKJPNWOJFTNI-INIGBHMASA-N 424.331 6.095 50 1 HKGF N#Cc1ccc2c(C(=O)c3ccc(N=Nc4ccc(C(=O)Cl)cc4)cc3)coc2c1 587278426 GRMWXJKKHCEGSJ-UHFFFAOYSA-N 413.820 6.330 50 1 HKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)C1CCCCC1 587539228 UWYJXPSMHMIQMY-WIYYLYMNSA-N 417.299 5.068 50 1 HKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(C)c1F 587722337 YCSWKSSGFSCWNH-HXPMCKFVSA-N 414.721 5.361 50 1 HKGF C[C@]1([C@@H](Cl)c2ccc(F)cc2)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962631266 DMWYKMVSJNLUHE-AYRHNUGRSA-N 420.959 5.768 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1cccc(Cl)c1Cl)O2 587371792 GGIDIDYECRZTJH-QGZVFWFLSA-N 415.114 5.140 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(C(C)(C)C)cc1)([C@H](C)Br)O2 587372536 JOOAWPBNPRISTM-RCDICMHDSA-N 416.359 5.519 50 1 HKGF CCCc1c(O)ccc2c1O[C@](CCl)(Cc1cccc(Br)c1)CC2=O 587457039 DPYHWNJMJNJAJA-HXUWFJFHSA-N 423.734 5.293 50 1 HKGF COc1ccc([C@@]2([C@@H](C)Br)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587497816 DITSUTQZHBSVRS-PEBXRYMYSA-N 415.327 5.218 50 1 HKGF Oc1ccc(F)cc1-c1[nH]c2c(c(Br)cc3n[nH]cc32)c1CCCl 587622523 ORLATLHUXWRWDJ-UHFFFAOYSA-N 408.658 5.100 50 1 HKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(CBr)c2)N1 587673217 LLYWRWAUUFBTHD-BMLIUANNSA-N 413.128 5.107 50 1 HKGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](c2ccccc2)([C@@H](Cl)c2ccccc2)N1 962960345 WQJGSBJNTJNMOO-UGIARPQZSA-N 400.953 6.316 50 1 HKGF CCc1ccc([C@]2([C@H](C)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587689481 SVJLEJZHSULNGE-UVARLRKDSA-N 410.758 5.556 50 1 HKGF COC(=O)[C@@H](C)[C@H]1CC[C@](C)(CC/C=C(\C)CC[C@@]2(O)[C@@H](C)CCCC2(C)C)OO1 653730218 LGYQILBHOGDNJU-LKQLCTFFSA-N 424.622 5.749 50 1 HKGF Cc1[nH]c(C(=O)[C@@H](C)Cl)c(C)c1[C@]1(C)NCCc2cccc(-c3ccccc3)c21 962658204 CFVVXDRMLIXWLS-CPJLOUKISA-N 406.957 5.518 50 1 HKGF CC(C=CC=O)=CC=CC=C(C)C=CC=C(C)C=C[C@@]1(O)C(C)(C)CCC[C@@]1(C)O 2356558686 IZEAIVHGGJUWLL-KAYWLYCHSA-N 410.598 5.941 50 1 HKGF Cc1ccc(-c2cc(C(=O)NN=Cc3c4ccccc4cc4ccccc34)[nH]n2)cc1C 263590486 LSMMDRBKQKZSQY-UHFFFAOYSA-N 418.500 5.764 50 3 HKGF CCCCCCCCCCCCCCCCCC1=C(CCC(=O)O)C(=O)OC1=O 36160246 QVTCGJSULDGKCO-UHFFFAOYSA-N 408.579 6.493 50 1 HKGF CC[C@H](Cl)CC[C@H](Cl)[C@H](Cl)C[C@H](Cl)[C@@H](Cl)[C@H](Cl)CCl 299847848 HPSUPGAVFFFPMQ-NEJQNHLGSA-N 411.455 6.450 50 1 HKGF OCCCCCCCCCCCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 586894581 NDFVVWLHVNUNHJ-UHFFFAOYSA-N 414.484 7.266 50 1 HKGF Cc1ccccc1[C@]1(CCCCCl)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962759628 CNIBKOLPOXFGMY-CTNGQTDRSA-N 409.879 5.293 50 1 HKGF N[C@H](Cc1c[nH]c2ccc(F)cc12)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587174231 HJJUAUKRNXNKMD-CYBMUJFWSA-N 420.382 6.083 50 1 HKGF O=C1c2ccc(O)cc2O[C@](c2ccccc2)(C(Cl)Cl)[C@H]1c1ccc(F)cc1 587325805 ZHRJKDGQRJOQHC-UGKGYDQZSA-N 417.263 5.589 50 1 HKGF CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@@H](Br)C(C)C)CC2=O 587454605 ZCGIZYXTPLPSLC-FCHUYYIVSA-N 417.343 5.625 50 1 HKGF CCCc1c(O)ccc2c1O[C@](CCBr)(c1ccc(F)cc1)CC2=O 587469395 ZFAGAQVNJDFODV-FQEVSTJZSA-N 407.279 5.130 50 1 HKGF Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccccc1 587499555 VJJPWOVRYMNTIV-SANMLTNESA-N 419.952 6.072 50 1 HKGF ClC1=C(Cl)[C@@]2(Cl)[C@H]3[C@H]([C@H](Cl)O[C@@H]3Cl)[C@@]1(Cl)C2(Cl)Cl 100491841 LRWHHSXTGZSMSN-CCNJEMHXSA-N 411.754 5.224 50 1 HKGF in-vitro C=C1C=C[C@@]2(Br)O[C@@H]3C[C@](C)(Cl)[C@H](Br)C[C@@]13C2(C)C 256600445 SCVKJKKRVLDQHS-GBIGGCNCSA-N 410.577 5.170 50 1 HKGF CCOc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1CCl 586985732 JQARALINEQPTNS-UHFFFAOYSA-N 415.876 5.956 50 1 HKGF CCCCc1ccc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587685390 PUBVRLMDLMMDKS-SPLOXXLWSA-N 424.785 5.947 50 1 HKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)([C@@H](C)Cl)N1 587688339 LLAXCDIHKYBBMD-PJYBLOJUSA-N 417.149 5.647 50 1 HKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(F)c(Cl)c2)N1 587717023 KMMQNXSPGSTDFC-HUTHGQBESA-N 421.112 5.397 50 1 HKGF C=C1CCCC(C)(C)[C@]1(O)CC/C(C)=C/CC[C@]1(C)CC[C@@H]([C@@H](C)C(=O)O)OO1 96911634 RJSBLBVYBHFZDR-ABJZZZSDSA-N 408.579 5.581 50 1 HKGF C=C1CC/C=C(/C)C[C@H](OC(=O)/C=C/c2ccc(O)cc2)CC(C)(C)C[C@@H]1OO 169303258 ZDRHNSQPEYXBDI-POYHIEPBSA-N 400.515 5.668 50 1 HKGF C[C@@]1(c2ccc(O)c(CCl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587328104 SXDXQXSPAODSRP-GGAORHGYSA-N 412.844 5.250 50 1 HKGF CCCCC(C)=C[C@@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1 1857622340 ODYSAWYGZWJOPM-AREMUKBSSA-N 403.506 6.383 50 1 HKGF O=C(N/N=C/c1cccc(Br)c1)Nc1ccccc1Oc1ccccc1 98083527 MPVNCUOZZOOMJA-HYARGMPZSA-N 410.271 5.397 50 1 HKGF c1ccc(CCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 221284975 JTCVIFUHLDHSDA-UHFFFAOYSA-N 423.560 6.784 50 1 HKGF Cc1ccc([C@@]2(CCCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587329283 XPLHCJYZKQSFJO-LADGPHEKSA-N 410.872 5.723 50 1 HKGF COc1ccc([C@]2(CCCCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587546898 YVAQQQUYNODCAD-QPPBQGQZSA-N 424.880 5.277 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1cc(Cl)ccc1Cl)O2 587374219 OSDGETRXSPIYPF-QGZVFWFLSA-N 415.114 5.140 50 1 HKGF C[C@@H](CCCN=C=S)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 1911586222 DHVFANUPRVZAPZ-CKUVWNFESA-N 419.675 5.496 50 1 HKGF C=C(CCC=CC=O)[C@@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@]3(C)CCC(=O)C(C)(C)[C@H]3CC[C@@]12C 2356384606 MQEYELVNMAGBIE-XUAZXXFLSA-N 424.669 7.332 50 1 HKGF C[C@H](CC[C@H]1C(C)(C)[C@H]2CC[C@@]1(C)O2)[C@@H]1CC[C@](C)(Cl)[C@@H](Br)[C@H]1O 2356807595 XXELFHDLURVSLJ-LGQBETEGSA-N 421.847 5.528 50 1 HKGF C=C1CC[C@@H](Br)C(C)(C)[C@@H]1Cc1cc(OC)c(Br)cc1O 13415044 UHRXKJFPPKYYEC-MLGOLLRUSA-N 418.169 5.462 50 1 HKGF biogenic O=c1c(-c2ccc(O)cc2)coc2cc(OCCCCCCBr)ccc12 13834852 GSUQEVUSISXFAN-UHFFFAOYSA-N 417.299 5.500 50 1 HKGF C[C@@H](C[C@H](C)CCCCCCc1ccccc1)C[C@]1(C)C[C@]2(C)OC(=O)C[C@@H]2OO1 44386770 BFGVFWWNBPNNKE-QKYPTMPDSA-N 416.602 6.417 50 1 HKGF biogenic CCO/C=N/C1=C(C#N)[C@H](c2ccc(Cl)cc2)c2ccc(N(CC)CC)cc2O1 66077138 VIZMSOCLYZLGAT-QVGKIPNLSA-N 409.917 5.510 50 1 HKGF O=C1C[C@](CBr)(c2ccc(Cl)s2)Oc2c1ccc1c2CCCC1 587531971 OBUOMBHOJQLQAL-SFHVURJKSA-N 411.748 5.536 50 1 HKGF Cn1cccc1CN1CCc2sccc2[C@H]1CCCO[Si](C)(C)C(C)(C)C 962374304 OYHLPQUMNFEUIK-HXUWFJFHSA-N 404.696 5.988 50 1 HKGF COc1ccc([C@]2([C@H](C)Cl)NCCc3cccc(-c4ccccc4)c32)c(OC)c1 962666056 MEAMTCWBEWRRPV-GKVSMKOHSA-N 407.941 5.387 50 1 HKGF C[C@H](C=C[C@H]1C[C@H]1C)[C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]23C=C[C@@]2(C[C@@H](O)CC[C@]12C)OO3 2356466296 ACIGRLRKXLVDFE-MQJYCNEYSA-N 412.614 5.838 50 1 HKGF Cc1cncc2nc(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c12 587055241 LGGICNVDMGKKHA-PXNMLYILSA-N 422.319 6.045 50 1 HKGF C[C@]1(c2cc(CCl)cs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587377657 SKUNJAYKOIAQRP-TZIWHRDSSA-N 402.874 5.606 50 1 HKGF CC1(C)[C@H]2CC[C@@]1(C)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)[C@H]2Br 587494943 AOABHWMJRNVGPB-VHHKXPHXSA-N 403.360 5.489 50 1 HKGF C[C@H](Cl)[C@]1(c2ccc(F)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587567626 IGGBHBCYVBSAOC-UJOSWYDYSA-N 416.807 5.155 50 1 HKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H](Cl)c2ccc(F)cc2)N1 587737346 XCYRCWGZUOOHQT-AQQIJUCISA-N 400.694 5.457 50 1 HKGF Cc1cc(C)c([C@@]2(CCl)c3cccc(F)c3CCN2[C@@H]2CCSC2)cc1C 962697853 IGCULZCEZRYTRL-WZONZLPQSA-N 403.994 5.597 50 1 HKGF O=C(NNc1ccc(F)cc1)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 28641392 MXMQIEPIUFAWEV-UHFFFAOYSA-N 415.512 5.599 50 1 HKGF CCCCCC(=O)Nc1ccc([C@@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)cc1 587374400 XPHOSFFPVPLVLH-QHCPKHFHSA-N 414.933 5.196 50 1 HKGF COc1ccc([C@]2(CCCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587682808 DOULAIYZNPNIRF-BLVKFPJESA-N 412.730 5.004 50 1 HKGF COC(=O)[C@H](C)[C@@H]1CC[C@](C)(CCC=C(C)CCC=C(C)CCC=C(C)C)OO1 2356436412 LCYOYORSUQYOEM-CUYJMHBOSA-N 406.607 6.864 50 1 HKGF Cc1ccccc1[C@]1(CCCCCCl)NCCc2cc(-c3ccccc3)ccc21 962663020 NDXIIFRMEXGBRX-MHZLTWQESA-N 403.997 6.851 50 1 HKGF C[C@]1(c2sccc2Cl)CC(c2sccc2Cl)=C(C#N)C(=C(C#N)C#N)N1 1656615 LXQWWVHOFDJGTB-GOSISDBHSA-N 417.346 5.604 50 1 HKGF COC(=O)[C@@H](C)[C@@H]1CC[C@](C)([C@@H]2C[C@]3(C)[C@@H](C)C[C@@H]4C=C(C)CC[C@@H]4[C@]3(C)O2)OO1 238736566 ZUKFYDKHJLXOAT-UZQQCNGRSA-N 420.590 5.231 50 1 HKGF Cc1ccc(CSCCc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 586970334 DEUSHPDRAIEGPE-UHFFFAOYSA-N 408.461 7.005 50 1 HKGF FS(F)(F)(F)(F)c1ccc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c2c1 587021370 JSGLTVMBWXFFJQ-UHFFFAOYSA-N 417.428 6.935 50 1 HKGF Cc1ccc(-n2c(C)cc([C@]3(CCl)CC(=O)c4cc(C)cc(N)c4O3)c2C)cc1 587370696 BCQVRGJZJBECTL-XMMPIXPASA-N 408.929 5.393 50 1 HKGF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccc(N=C=S)cc1)CC2=O 587494924 ZDYJVQPPXQHDHC-VWLOTQADSA-N 415.514 5.988 50 1 HKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc3nc(CCl)oc23)N1 587685453 QUHXGOHTDSRTOW-GIGQVBGESA-N 423.713 5.266 50 1 HKGF C[C@H](CCCCCCC=Cc1ccccc1)C[C@]1(C)C[C@@H](C)[C@](O)(CC(=O)O)OO1 2356421861 XKAQLEUZKCCIDB-YENTXNKWSA-N 418.574 5.977 50 1 HKGF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccccc1C(=O)Cl)CC2=O 587458955 MGYWMTPGHRDBQX-RUZDIDTESA-N 420.892 5.633 50 1 HKGF C=C1CCCC(C)(C)[C@]1(O)CCC(C)=CCC[C@]1(C)CC[C@@H]([C@@H](C)C(=O)OC)OO1 2356531198 RZBOFZRCMWQHOO-WIVXBSKCSA-N 422.606 5.669 50 1 HKGF Cc1cc(Br)c2[nH]c([C@@H](C)c3ccc(CBr)cc3)nc2c1 586973615 MIINRCXZXSQJHF-NSHDSACASA-N 408.137 5.681 50 1 HKGF C=CCc1c(CBr)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 587358195 BHBDZGNJFIFYGQ-UHFFFAOYSA-N 408.295 6.280 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1ccc(-c3ccc([N+](=O)[O-])cc3)cc1)O2 587373877 TYPGIHHTTNVACI-HSZRJFAPSA-N 422.868 5.252 50 1 HKGF COc1ccc(Cl)cc1C#Cc1ccc(Cn2nc(C)c(N=C=S)c2C)cc1 587918835 AGLGJUIBLFKOFW-UHFFFAOYSA-N 407.926 5.344 50 1 HKGF CC(C)C(=O)Nc1ccc([C@]2(CCl)NCCc3c(Cl)cc(Cl)cc32)cc1 963114122 WVKINGWKWWPXMH-FQEVSTJZSA-N 411.760 5.216 50 1 HKGF CC(C)(C)c1cc(/C=C(\C#N)C(=S)NCCCCCCN)cc(C(C)(C)C)c1O 1857771405 GBIOJDITIPWUNK-QGOAFFKASA-N 415.647 5.330 50 1 HKGF CC(=CCC[C@H](C)CC(=O)[C@@H](O)[C@H](C)Cl)CCCc1coc(Cc2ccoc2)c1 2356738732 WHSPRQDLSQTWAX-JXQFQVJHSA-N 420.977 6.096 50 1 HKGF CCCCc1ccc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587685392 PUBVRLMDLMMDKS-SZNDQCEHSA-N 424.785 5.947 50 1 HKGF Cc1sc2c(c1C)CCN[C@@]2(c1c[nH]c2ccccc12)[C@@H](Cl)c1ccccc1 963029314 RLAIPGSWZOWGFM-UPVQGACJSA-N 406.982 6.216 50 1 HKGF C=CCCCCCCCC=CC#CCCC[C@@]1(OC)CC[C@H](CC(=O)OC)OO1 2356632458 CBSYJKYAPRBDHQ-VWNXMTODSA-N 406.563 5.649 50 1 HKGF Cc1ccc(-c2cc(C(=O)N/N=C/c3cccc(OCc4ccccc4)c3)[nH]n2)cc1C 2451119 QWBOSFHRRAGQHH-JVWAILMASA-N 424.504 5.036 50 1 HKGF COc1cccc(F)c1[C@@H]1C[C@H](Cl)C(=O)N1Cc1ccc2oc3ccccc3c2c1 223033434 BREHUYDHWPJHJZ-HKUYNNGSSA-N 423.871 5.815 50 1 HKGF CC(C)CCOc1cc2nc(CCCCBr)[nH]c2cc1Br 586972059 DQPFSXWCNDLGGI-UHFFFAOYSA-N 418.173 5.468 50 1 HKGF CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@@H](Br)[C@H]2CC[C@]1(C)C2(C)C 587457306 XNQBKRMAYCEKDP-AZKPVJIOSA-N 407.348 5.268 50 1 HKGF CCCc1c(O)ccc2c1O[C@](CBr)(C1CCC(F)(F)CC1)CC2=O 587465302 HBXYOKOLWAFYMY-GOSISDBHSA-N 417.290 5.269 50 1 HKGF C[C@]1([C@H](Cl)c2ccc(F)cc2)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962631277 DMWYKMVSJNLUHE-SKBVVQJISA-N 420.959 5.768 50 1 HKGF CC(C)(Br)[C@@]1(CBr)NCCc2cc(-c3ccccc3)ccc21 962663501 GNMJDCUOUUYMPM-IBGZPJMESA-N 423.192 5.263 50 1 HKGF COC(=O)[C@H](C)[C@@H]1CC[C@@](C)(CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)OO1 85884758 LCYOYORSUQYOEM-CPPZXBGESA-N 406.607 6.864 50 1 HKGF CC1(C)[C@@]2(C)CC[C@@]1(C(=O)Nc1c(Cl)cccc1Cl)[C@@H](Br)C2=O 169295269 FHNPPLVMNBLNFV-ZLIFDBKOSA-N 419.146 5.091 50 1 HKGF CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)cc1)([C@H](C)Br)CC2=O 587456112 KUXXECDODIIJLD-YUNKPMOVSA-N 423.734 5.642 50 1 HKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc(C(C)C)cc1C(C)C)CC2=O 587458915 MBPMFIMXXHRZDQ-VWLOTQADSA-N 414.973 6.691 50 1 HKGF Cc1cc(C)c([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 587689533 UCWJNOFNXDVSCU-XOBRGWDASA-N 410.758 5.530 50 1 HKGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](C)(c2cccc(S(F)(F)(F)(F)F)c2)N1 962949551 PPGASHJDOWSNJJ-VLIAUNLRSA-N 416.459 7.013 50 1 HKGF Cc1cc2c(cc1Br)[C@]1(C)CC[C@](CI)(O2)[C@@H]1C 85762369 GSLUQYUFBYSYQN-VCTAVGKDSA-N 421.116 5.011 50 1 HKGF CC[C@@H]1C(=O)C[C@H](c2ccc(Cl)cc2)N(C(=O)CCl)[C@H]1c1ccc(Cl)cc1 299847685 NBOZASNOGSEHMN-OPYAIIAOSA-N 424.755 5.842 50 1 HKGF Cc1ccnc2c1CCN[C@@]2(CCl)c1c(-c2ccccc2)n(C)c2ccccc12 963068791 CQTHILAXDSBHCG-VWLOTQADSA-N 401.941 5.177 50 1 HKGF C[C@]1(CCCCCCCCCCCCc2ccccc2)C[C@@]2(C)OC(=O)C[C@@H]2OO1 2356475438 CEXBAUGPNZWHBZ-AYRHNUGRSA-N 416.602 6.705 50 1 HKGF N#C/C(C(=O)Nc1ccc(C(F)(F)F)cc1)=C(/O)c1ccccc1C(F)(F)F 59034361 LLQQHDNHAPUUPM-SQFISAMPSA-N 400.278 5.156 50 1 HKGF Cc1ccc2c3c(cc(-c4cccc5nc(CCl)oc45)nc13)-c1ccccc1C2=O 586994072 SJZYNSYDXLPQEQ-UHFFFAOYSA-N 410.860 6.302 50 1 HKGF Fc1ccc(-c2nc3cc(S(F)(F)(F)(F)F)ccc3[nH]2)nc1Br 587155557 OCLUYZVYQKICSH-UHFFFAOYSA-N 418.160 6.184 50 1 HKGF C[C@H](Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)N(C)C 587192310 TWVSVXCSZGXQBA-SSDOTTSWSA-N 408.234 5.475 50 1 HKGF Cc1ccc(C)c([C@]2([C@@H](C)Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587544556 OJFVSHIRCVEDEF-YOJAFSQSSA-N 408.881 5.493 50 1 HKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2csc3ccccc23)N1 587858787 UJOWOZJSOJUNKE-WYRIXSBYSA-N 424.766 5.820 50 1 HKGF ClC[C@@]1(COc2ccc(Cl)cc2)c2ccsc2CCN1Cc1cccnc1 963000649 WDHMKOBOIXSOEH-OAQYLSRUSA-N 419.377 5.368 50 1 HKGF Cc1ccc([C@]2([C@H](C)Br)c3c(F)cccc3C[C@H]3CCCN32)cc1Cl 963097622 HDFQAEXNZKRQRJ-AVBTWRTFSA-N 422.769 5.835 50 1 HKGF CCCCCCCCC/C(C)=N/NC(=O)C(=O)N/N=C(\C)CCCCCCCCC 102773562 HWFOITIWZFHMNC-CDTUYSNOSA-N 422.658 6.252 50 1 HKGF O=C1c2ccc(O)cc2O[C@](CCl)(c2cccc(Cl)c2)[C@@H]1c1ccc(F)cc1 587328463 URDWZNZTVBBKAO-IFMALSPDSA-N 417.263 5.678 50 1 HKGF C[C@]1(c2cccc(S(F)(F)(F)(F)F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587510092 UTFZKEYSWMIPDE-HXUWFJFHSA-N 418.427 7.103 50 1 HKGF Cc1cc(Nc2ccc(S(F)(F)(F)(F)F)cc2)n2nc(CC(C)C)nc2n1 73313848 FIYGYTLJYDFVIQ-UHFFFAOYSA-N 407.412 6.032 50 1 HKGF COc1c(CC=C(C)C)c(O)c(C(C)=O)c2c1C[C@@H](OO)[C@@](C)(CCC=C(C)C)O2 238733514 VINMEZFCMWVMAA-NTKDMRAZSA-N 418.530 5.410 50 1 HKGF CCCCC[C@H](O[Si](C)(C)C)[C@H](C/C=C\CCCCCCCC(=O)OC)OC 238765939 MFAQJJHSPYTDNA-KMGCHEGRSA-N 414.703 6.652 50 1 HKGF Cc1[nH]c2ccccc2c1[C@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587545737 SIUKFMYQOMZJOX-QPPBQGQZSA-N 419.864 5.278 50 1 HKGF C[C@H](Cl)[C@]1(c2c[nH]c3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587546888 YQHOUJQADXKYDY-KLGSUFROSA-N 419.864 5.358 50 1 HKGF COC(=O)[C@@H](C)[C@H]1CC[C@](C)(CC/C=C(\C)CC[C@@]2(O)[C@H](C)CCCC2(C)C)OO1 653730219 LGYQILBHOGDNJU-MCGBXBOUSA-N 424.622 5.749 50 1 HKGF COc1ccc2c(c1)[C@@]1(CCCC[C@@H]1O[Si](C)(C)C(C)(C)C)N(C(C)C)CC2 962086622 CKILAXAYECGLCX-LADGPHEKSA-N 403.683 6.121 50 1 HKGF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C=O)=C\C[C@@H](O)[C@@H]1CC(=O)OC1=O 96085818 VMRVXHUEJXPHNA-IPXRHAJHSA-N 416.558 5.152 50 1 HKGF Cc1cc(C)c(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c(C)c1CCl 586994272 WXQAUYGZYCOIAR-UHFFFAOYSA-N 411.932 7.086 50 1 HKGF Nc1c(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cnc2c(F)cccc12 587175771 BAGHNZVQNNEXJL-UHFFFAOYSA-N 404.339 6.157 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@@]([C@@H](C)Br)(C13CC4CC(CC(C4)C1)C3)O2 587372398 IOWWVBRUTGZSKW-JVRBXRCWSA-N 418.375 5.281 50 1 HKGF O=C(N/N=C/c1ccc2ccccc2c1)c1ccc(COc2ccc3c(c2)CCC3)o1 696032 SVXPZUCBUPMPKL-JVWAILMASA-N 410.473 5.264 50 3 HKGF C=C[C@@](Br)(CBr)CC[C@@H](Br)C(C)(C)Cl 1637280 BIJRAENMNMOHHB-SCZZXKLOSA-N 411.403 5.262 50 1 HKGF O=[P@](Nc1ccc(Cl)cc1)(Oc1ccccc1)N(CCCl)CCCl 6575482 CDPPRYBJBWLFLD-XMMPIXPASA-N 407.665 5.719 50 1 HKGF CC(=O)O[C@@H]1C[C@H]2[C@@]3(C)CCCC(C)(C)[C@H]3CC[C@@]2(C)[C@@H]2CC=C(C=O)C[C@]21C 238734181 PTMXVTMFEPDKJQ-WPANEHPXSA-N 400.603 6.112 50 1 HKGF Cc1cc2nc([C@H](C)c3ccc(CBr)cc3)[nH]c2cc1Br 586973244 GZDKBVNUWBEDHU-LLVKDONJSA-N 408.137 5.681 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)n(Cc3cccs3)c1C)O2 587414333 UGJBIRBJAHNMFX-QFIPXVFZSA-N 414.958 5.205 50 1 HKGF COc1cc2c3c(c1)O[C@](c1ccc(C)cc1)([C@H](Cl)c1ccc(C)cc1)[C@@H](C2)C3=O 587416948 GTXACGXXXAIUJC-BYXVTNLJSA-N 418.920 5.935 50 1 HKGF C=C[C@](C)(O)CC[C@@H]1C(=C)CC[C@H](Br)[C@]1(C)CC[C@H](O)C(C)(C)Cl 2356332491 GFQPXXIINCHFHC-QBYKVAOYSA-N 421.847 5.598 50 1 HKGF [C-]#[N+]/C(C)=C/C/C(C)=C\C(=C)[C@H](C[C@H](C[C@H](C[C@H](CC=C)OC)OC)OC)OC 85598420 RHXUBRKEEFJAPK-HMBLHOGSSA-N 405.579 5.508 50 1 HKGF COc1ccc(Cl)c2c1CCN[C@@]2(CBr)C(C)(C)c1ccccc1 963256170 BBDYXNNMFXJKHV-HXUWFJFHSA-N 408.767 5.062 50 1 HKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(Cl)cc1)CC2=O 587455606 DOYFTXFKYMFNCH-LJQANCHMSA-N 409.707 5.254 50 1 HKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1sccc1Br)CC2=O 587491115 IOBNAZZLICTARJ-QGZVFWFLSA-N 415.736 5.268 50 1 HKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2cccc3cc[nH]c23)N1 587683776 IASKBRCTQMPUKD-WYRIXSBYSA-N 407.714 5.086 50 1 HKGF CC(=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=O)/C=C/[C@@]12O[C@@]1(C)C[C@H](O)CC2(C)C 100196043 QZOYIQGWDBXSHB-OVUUHJLVSA-N 408.582 5.958 50 1 HKGF in-vitro CCN(CC)c1ccc([C@@H]2C(C#N)=C(C)N=C3C[C@H](c4ccccc4)CC(O)=C32)cc1 103866723 YTFKONLQVUVJTJ-HFZDXXHNSA-N 411.549 6.258 50 1 HKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)([C@@H](C)Cl)N1 587689030 OTAVNKBUQKXRGY-YRUZYCQGSA-N 417.149 5.647 50 1 HKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(F)c(Cl)c2)N1 587717054 KMMQNXSPGSTDFC-XYZCENFISA-N 421.112 5.397 50 1 HKGF C=CC[C@H](C[C@H](C[C@H](C[C@H](OC)C(=C)C=C(C)CC=C(C)C#N)OC)OC)OC 2356794715 IBWHSOUJBPQKSP-YCAMKHIRSA-N 405.579 5.155 50 1 HKGF C=C1C[C@H](O)[C@@H](Br)C(C)(C)[C@]12CC[C@](C)(Cl)[C@@H](Br)C2 140210288 KKDUTGUFMQDATD-QIRZIZBZSA-N 414.609 5.028 50 1 HKGF CCCC(=O)Nc1ccc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587500246 ZKRJIUGLAIEVDO-XMMPIXPASA-N 411.929 5.404 50 1 HKGF CSc1cccc(-n2c(C)cc(-c3csc(C(C#N)=C4CCCCC4)n3)c2C)c1 587924226 NDMIUNBSJCERTN-UHFFFAOYSA-N 419.619 7.181 50 1 HKGF COc1cccc2c3c(cnc12)CCN[C@]3(C)CCCO[Si](C)(C)C(C)(C)C 963062789 XOHCLIBFPLFFML-HSZRJFAPSA-N 400.639 5.406 50 1 HKGF CC(C)CC=C[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]23C=C[C@@]2(C[C@@H](O)CC[C@]12C)OO3 2356421029 WISOACODKWCRQK-OLLYTBDOSA-N 414.630 6.228 50 1 HKGF CC(C)(CCCCCCCCCCC(C)(C)[C@H](Cl)C(=O)O)[C@H](Cl)C(=O)O 26171383 KFEFAFFOVIMNLW-HZPDHXFCSA-N 411.410 6.324 50 1 HKGF N#C/C(=C(/N)Sc1ccccc1N)c1cccc([C@H](O)c2cccc3ccccc23)c1 38145338 SRSMMXNTIGLKAU-ZIIZBSPPSA-N 423.541 5.447 50 1 HKGF O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 587329799 DJSRHZDGWHODHY-IFMALSPDSA-N 400.808 5.164 50 1 HKGF COc1cc2c3c(c1)O[C@@](c1ccc(Cl)cc1Cl)(C(Cl)Cl)[C@@H](C2)C3=O 587416667 BXGUSPSCVKRUSB-KPZWWZAWSA-N 418.103 5.449 50 1 HKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2c[nH]c3ccccc23)N1 587683257 GDTLEHRODSTYSJ-JEOXALJRSA-N 407.714 5.086 50 1 HKGF CCc1ccc([C@]2([C@H](C)Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587686297 CEHNVVRULQANMN-QAJFTPDKSA-N 410.758 5.556 50 1 HKGF CSc1ccc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587846732 REMAUQTVAZISQX-VOJFVSQTSA-N 414.771 5.327 50 1 HKGF COc1ccc([C@@H]2CC3=NC(C)=C(C#N)[C@H](c4ccc(N(C)C)cc4)C3=C(O)C2)cc1 19761099 AEKCTCJZGUGATJ-CLOONOSVSA-N 413.521 5.487 50 1 HKGF CC(C)CCC[C@H](C)CCO[C@H]1CCO[P@@](=O)(NCCCl)N1CCCl 299862689 KBDQOZHXGZTWMM-TZPNTHKFSA-N 417.358 5.079 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1csc3ccccc13)O2 587415596 VHJVDLCWMUZKAQ-LJQANCHMSA-N 402.313 5.048 50 1 HKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ccc2c(c1)CCCC2 587543616 LDKYTSWBQBDFCA-RCZVLFRGSA-N 420.892 5.367 50 1 HKGF CCCc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587544610 OONXWVOHDRQVTB-URXFXBBRSA-N 408.881 5.441 50 1 HKGF CC1=CC[C@@H]2[C@H](C1)c1c(O)cc(CC#CCCCBr)cc1OC2(C)C 27842168 QHFROVGTWNPDOW-ZWKOTPCHSA-N 403.360 5.724 50 1 HKGF CCN(CC)c1nc(SC)nc2c1cnn2C[C@@H](Cl)c1ccc(Cl)cc1 40914003 VKNRLQOYHCAPJL-OAHLLOKOSA-N 410.374 5.028 50 1 HKGF CCCCCC[C@]1(CBr)N[C@H](C)Cc2ccc(F)c(Br)c21 587672419 FUNSHCNLDYCRNA-SJKOYZFVSA-N 421.192 5.683 50 1 HKGF CC[C@H](C)[C@]1(CBr)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962635258 IPSPBYMMOZXADB-AVCGJXAMSA-N 413.403 5.070 50 1 HKGF C[C@@H]1CC[C@H](Br)C(C)(C)[C@]12CC[C@](C)(Cl)[C@@H](Br)C2 2356753105 SJRIJFXUBVGUEG-SQLGEJSKSA-N 400.626 6.137 50 1 HKGF O=C1C[C@@](CCl)(c2cc(Cl)sc2Cl)Oc2c1ccc1c2CCCC1 587531815 MKBDJFGGBSAQCP-GOSISDBHSA-N 401.742 6.033 50 1 HKGF CC[C@H](NC(=O)/C(C#N)=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccccc1 73157262 QQBHHFCNEDEFSS-TVADFSRQSA-N 401.422 5.029 50 1 HKGF C=C(C=O)CC[C@@H]1C(=C)C[C@H](OC(=O)c2ccccc2)[C@@H]2[C@](C)(C(=O)O)CCC[C@@]21C 38653553 NTDJBAOUNYDJKY-VMRICSQBSA-N 424.537 5.221 50 1 HKGF biogenic C/C(=C/C=C/[C@]1(C)CCCc2ccoc21)CCC[C@H](C)CC(=O)[C@H](O)[C@H](C)Cl 40379513 IGLKUNSGZGFDPG-SDBOTNDTSA-N 406.994 6.130 50 1 HKGF CC1=C(CC[C@](C)(O)/C=C/C[C@@]2(C)CC[C@H]([C@H](C)C(=O)O)OO2)C(C)(C)CCC1 42850816 IOPIOUHRQRYDMU-UHMGIMNISA-N 408.579 5.581 50 1 HKGF COc1ccc([C@@H]2C(C#N)=C(C)N=C3C[C@H](c4ccc(Cl)cc4)CC(O)=C32)cc1 104696181 NKDSVLPODHYHIO-GAJHUEQPSA-N 404.897 6.074 50 1 HKGF O=C1c2ccccc2-c2cc(-c3ccc(CBr)cc3)nc3ccc(O)c1c23 586984438 NFEOSVDWLUWOTG-UHFFFAOYSA-N 416.274 5.714 50 1 HKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCCCl)c1ccc(F)cc1 587571718 PBJMCBLQJVRLDK-NFBKMPQASA-N 412.844 5.407 50 1 HKGF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(N(CCCl)CCCl)cc2)N1 962953272 QNLMHJNPONDCPG-JTSKRJEESA-N 416.396 5.466 50 1 HKGF C=C(CCC[C@@]1(C)CC[C@H]([C@H](C)C(=O)OC)OO1)CC[C@]1(O)C(=C)CCCC1(C)C 42875456 XFDMAFNMQSQGGI-JQOLTRQRSA-N 422.606 5.669 50 1 HKGF O=C1c2ccccc2-c2cc(-c3cc(Cl)cc(CCl)c3O)nc3ccc(O)c1c23 586984709 AWCGNVPHIURJIR-UHFFFAOYSA-N 422.267 5.917 50 1 HKGF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H]2CC[C@@]1(CBr)C2(C)C 587455830 GUWZYDIYNOUOQY-OBVPDXSSSA-N 407.348 5.270 50 1 HKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCCl)(c2ccc(F)cc2)N1 587730750 KFCYXFMOZSHSLQ-ADLMAVQZSA-N 400.694 5.134 50 1 HKGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](c2ccccc2)([C@H](Cl)c2ccccc2)N1 962960337 WQJGSBJNTJNMOO-OLLUBJOZSA-N 400.953 6.316 50 1 HKGF CC(=O)CCCC(C)(C)C(=O)CCC(C)=CCC[C@]1(C)CC[C@@H]([C@@H](C)C(=O)O)OO1 2356409821 UCWHHFGTUDDROG-JXALWOEJSA-N 424.578 5.438 50 1 HKGF CC(C)c1ccc(CN(Cc2ccccc2)C2=NC[C@H](CBr)S2)cc1 82052547 UFBGCJXJQFVUKE-FQEVSTJZSA-N 417.416 5.679 50 1 HKGF O=C1c2ccc(O)cc2O[C@](CCCCl)(c2ccccc2)[C@H]1c1ccc(F)cc1 587325453 FTDBPWNSUMPELK-LADGPHEKSA-N 410.872 5.805 50 1 HKGF COc1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2CCCl)cc1 587625386 HNEABJUYHYMOSI-UHFFFAOYSA-N 421.768 6.662 50 1 HKGF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC(C=O)=C(Br)[C@@]4(C)CC[C@@H]32)C1 1911586253 ITKBIPFACXIERS-RPRDNOHOSA-N 423.391 5.419 50 1 HKGF Cc1cc(C)c([C@]2([C@H](C)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C 587687117 FLSBOCPNOCGMEV-WIEQDCTASA-N 424.785 5.919 50 1 HKGF Cc1ccc(C2=C[C@H](c3c(-c4ccccc4)[nH]c4ccccc34)C(C#N)=C(N)O2)cc1 95603917 UFZVFRMRGRMBJR-NRFANRHFSA-N 403.485 5.992 50 1 HKGF O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc(Oc2ccccc2)cc1 103293314 HWIVPWRHGXHSOT-OEAKJJBVSA-N 419.531 5.331 50 1 HKGF O=C(O)C[C@@H]1CC[C@@H]([C@H]2CC[C@H](CCCCCC[C@H]3C=CC=C/C=C/C3)O2)OO1 195362638 DIHXQPVNIPQBLK-BHGHTHNSSA-N 404.547 5.517 50 1 HKGF CC[C@]1(C)C[C@H]1c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 586892644 VKMZTCQGWSKLDJ-ISVAXAHUSA-N 405.230 6.886 50 1 HKGF COC(C)(C)[C@@H](Br)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 586970616 CWXXETBWHXFVLB-INIZCTEOSA-N 416.344 5.701 50 1 HKGF COC[C@@H](C)n1c(C)cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587496329 CHMRKWHDIOSTRP-VOIUYBSRSA-N 415.961 5.291 50 1 HKGF Cc1cc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1Cl 587499418 MXQITXBGOWUWAY-OAQYLSRUSA-N 419.746 5.783 50 1 HKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCCl)(c2ccc(F)cc2)N1 587727698 CBVDEBOFNODVQH-VOJFVSQTSA-N 400.694 5.134 50 1 HKGF C[C@@]1([C@H](Br)Cc2ccccc2F)NCCc2cc(-c3ccccc3)ccc21 962671107 WHYMAZIRUNVKDT-DNQXCXABSA-N 424.357 5.860 50 1 HKGF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](CBr)(c2ccccc2SC)N1 962949646 QDCKMWRXTDIDBQ-LHSJRXKWSA-N 415.400 5.453 50 1 HKGF CC(C)(C=C[C@H]1[C@H]2c3c4cc5oc(=O)ccc5c3O[C@@]1(C)CC[C@H]2C(C)(C)O4)OO 2356649802 ZPVBIQWUZYXRCN-DDWBYRHVSA-N 412.482 5.049 50 1 HKGF C[C@H](CCCCCCC=Cc1ccccc1)C[C@]1(C)C[C@@H](C)[C@@](O)(CC(=O)O)OO1 2356421858 XKAQLEUZKCCIDB-OVSMBABESA-N 418.574 5.977 50 1 HKGF CC[C@@H](C)c1nc2nc(C)cc(Nc3ccc(S(F)(F)(F)(F)F)cc3)n2n1 73297871 HTHSNFGCVGLANY-SNVBAGLBSA-N 407.412 6.347 50 1 HKGF C[C@@H](Cl)C(=O)Nc1cccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1 587101119 DFRIHQPGBRIWFM-CQSZACIVSA-N 412.876 5.679 50 1 HKGF CCc1ccc(CC)c([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587689468 SQLWRKRLKRQWGJ-YEJXKQKISA-N 424.785 5.730 50 1 HKGF C[C@H](Br)[C@@]1(c2ccc(F)cc2)NCCc2cc(-c3ccccc3)ccc21 962662851 CTHQLNUCRGGXAE-HJPURHCSSA-N 410.330 5.665 50 1 HKGF Cc1cc([C@@]2(CCCCl)N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)ccc1F 962731948 VBJCULKGZFVRMX-UYAOXDASSA-N 413.842 5.042 50 1 HKGF CC1=C(C#N)[C@H](c2ccc(N(C)C)cc2)C2=C(O)C[C@@H](c3ccc(Cl)cc3)CC2=N1 103523703 ZSMIGQDWFQMXAP-UUOWRZLLSA-N 417.940 6.131 50 1 HKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(CC)cc1)CC2=O 587455890 HKBNDZHKFKMSKN-NRFANRHFSA-N 403.316 5.163 50 1 HKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1cccc(Cl)c1)CC2=O 587457060 VHRNWHCEZMQLBG-LJQANCHMSA-N 409.707 5.254 50 1 HKGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](C)(c2ccc(NC(=O)CCCCl)cc2)N1 962963340 YXLITNLCKJZHHG-OSPHWJPCSA-N 409.961 5.313 50 1 HKGF C=C(CC1([C@H](C)NP(=O)(c2ccccc2)c2ccccc2)CC1)c1ccccc1 8019407 WVQFQKSBVLZKGP-QFIPXVFZSA-N 401.490 5.777 50 1 HKGF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](Br)CCCC3)c1 587358667 SOHCTQCTDWTEJJ-SFHVURJKSA-N 422.322 6.819 50 1 HKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc(-c3ccccc3)cc1)CC2=O 587459274 HKGXPTAZLIIJJX-RUZDIDTESA-N 406.909 6.111 50 1 HKGF C=C1CC/C=C(\C)C[C@H](OC(=O)/C=C\c2ccc(O)cc2)CC(C)(C)C[C@H]1OO 205284159 ZDRHNSQPEYXBDI-SVPGNINESA-N 400.515 5.668 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1cccc(Cl)c1Cl)O2 587371785 GGIDIDYECRZTJH-KRWDZBQOSA-N 415.114 5.140 50 1 HKGF CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)cc1)([C@@H](C)Br)CC2=O 587456110 KUXXECDODIIJLD-ODXCJYRJSA-N 423.734 5.642 50 1 HKGF O=C1C[C@@H](c2cccc(S(F)(F)(F)(F)F)c2)Oc2c1ccc1c2CCCC1 587503450 FMJAOTORSBQCEZ-SFHVURJKSA-N 404.400 6.929 50 1 HKGF C=C(C)[C@@H]1CC=C(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)CC1 95808749 LZLVYLNONGJABH-GGVNPZCGSA-N 411.546 5.076 50 1 HKGF CCCCCCCC/C=C\CCCCCCCC(=O)NNC(=O)c1ccncc1 96940221 FEJGFCKVVDMZBM-KTKRTIGZSA-N 401.595 5.880 50 1 HKGF Cc1ccc2c3c(cc(-c4cccc(NC(=O)CCl)c4)nc13)-c1ccccc1C2=O 586992943 GIXWBWUNJQAKCW-UHFFFAOYSA-N 412.876 5.599 50 1 HKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1c(C)c(C)c(C)c(C)c1C)CC2=O 587457677 AHSNEXIREODPNK-DEOSSOPVSA-N 400.946 5.986 50 1 HKGF CCCCc1ccc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587684668 LKDINAIJEONRQH-SZNDQCEHSA-N 424.785 5.947 50 1 HKGF Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)NCCCCC[C@@H]1CCSS1)O2 45351174 XMTOUSCPUZQYRA-VGSWGCGISA-N 423.644 5.231 50 1 HKGF COC(=O)[C@@H](C)[C@H]1CC[C@@](C)(CCC2=C(C)C[C@H]3C=C(C)CC[C@@H]3C2(C)C)OO1 73317168 SXELECXXRAJAPF-ILMPVQHMSA-N 404.591 6.164 50 1 HKGF CCc1cc(O)nc(SCc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)n1 586966799 NQXKJTSFSPUYJE-UHFFFAOYSA-N 412.409 5.571 50 1 HKGF O=C1c2ccccc2-c2c(CC3CCCC3)c(CBr)nc3cccc1c23 587102781 YAWJRFUWMLOUMF-UHFFFAOYSA-N 406.323 6.074 50 1 HKGF COC(=O)[C@@H](C)[C@H]1CC[C@](C)(CC/C=C(\C)CC[C@]2(C)[C@H](C)CCC[C@]2(C)O)OO1 653730246 PYRDXCUKHATXIK-ICHZCYEMSA-N 424.622 5.749 50 1 HKGF C[C@]1(c2cc(F)cc(S(F)(F)(F)(F)F)c2)NCCc2nc3ccccn3c21 962986353 SVTASBSQUPTEGQ-QGZVFWFLSA-N 407.383 5.540 50 1 HKGF CC1(C)O[C@@](C)([C@@H]2CC[C@@](C)(Cl)[C@H](Br)C2)CC[C@@H]1Br 49778053 FIHHUYBIKUKVFD-BUONHZGMSA-N 416.625 5.659 50 1 HKGF CC(/C=C\C=O)=C/C=C/C=C(C)/C=C/C=C(C)\C=C\[C@@]12O[C@@]1(C)C[C@H](O)CC2(C)C 104377210 QZOYIQGWDBXSHB-CBTDHHBPSA-N 408.582 5.958 50 1 HKGF in-man C[C@@]1(c2cc(CCl)cs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587377636 SKUNJAYKOIAQRP-CTNGQTDRSA-N 402.874 5.606 50 1 HKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(C2CCC(F)(F)CC2)N1 587719351 LDRYXLZIQGLYHP-DYZYQPBXSA-N 410.705 5.382 50 1 HKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(SCCCl)cc1 587896484 KMEYUEAJWUWXOQ-UHFFFAOYSA-N 412.769 5.035 50 1 HKGF CC1=C(CC[C@]2(C)O[C@@H]2CC[C@]2(C)CC[C@@H]([C@H](C)C(=O)O)OO2)C(C)(C)CCC1 2356514909 QVVWUQNRKZFZHV-ACECRKOXSA-N 408.579 5.821 50 1 HKGF O=C1C[C@@](CBr)(c2cc(F)cc(F)c2)Oc2c1ccc1c2CCCC1 587504955 OWSYOPAGZSGXTJ-HXUWFJFHSA-N 407.254 5.099 50 1 HKGF Cc1cccc2[nH]cc([C@@]3(CCl)N[C@H](C)Cc4ccc(F)c(Br)c43)c12 587684733 LVXMXIVXIOANED-MPBGBICISA-N 421.741 5.395 50 1 HKGF CC1(C)[C@@]2(Cl)[C@@H](Cl)[C@H](Cl)[C@](Cl)(C(Cl)Cl)[C@]1(Cl)[C@@H]2Cl 8214718 DVEYBSZJQZPNLT-PRKGBEQFSA-N 413.814 5.599 50 1 HKGF in-vitro CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1cc(Cl)ccc1Cl)[C@@H](Br)C2=O 103113669 UDOMTLSWGZGSJW-JCURWCKSSA-N 419.146 5.091 50 1 HKGF C[C@]1(CCCCCCCCCC/C=C/c2ccccc2)C[C@]2(C)OC(=O)C[C@@H]2OO1 200134885 PVHBSURZEKXSCP-CNNDIWDWSA-N 414.586 6.786 50 1 HKGF CC(C)(F)[C@H](Br)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 587087880 XUNNSIJCFIKUIH-SECBINFHSA-N 418.026 5.528 50 1 HKGF CSc1nc(NCc2ccccc2)c2ccn(C[C@H](Cl)c3ccccc3)c2n1 1772617403 PWYVDKFGQPXXFX-IBGZPJMESA-N 408.958 5.745 50 1 HKGF COc1ccc2[nH]c(C(=O)N3C[C@H](CCl)c4c3cc(O)c3ccccc43)cc2c1 96913701 IMPWYRASDRUABE-AWEZNQCLSA-N 406.869 5.018 50 1 HKGF CC(/C=C\C=O)=C/C=C/C=C(C)/C=C/C=C(C)\C=C\[C@]12O[C@]1(C)C[C@H](O)CC2(C)C 257528164 QZOYIQGWDBXSHB-JZEFLIBBSA-N 408.582 5.958 50 1 HKGF endogenous,in-man O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 587327007 NYFZWRWSEWANHJ-IRLDBZIGSA-N 417.263 5.678 50 1 HKGF CCCc1c(O)ccc2c1O[C@@H](c1ccc(N(CCCl)CCCl)cc1)CC2=O 587461731 SNBRIWILZIRCNB-OAQYLSRUSA-N 422.352 5.335 50 1 HKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(Cl)cc2)N1 587685220 ONVNFWMYBQLLPY-DYZYQPBXSA-N 403.122 5.258 50 1 HKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3CC[C@]2(CCl)C3(C)C)N1 587686217 SXGWLTBIGWRWIG-CLWWGOANSA-N 400.763 5.383 50 1 HKGF COC(=O)[C@H](C)[C@@H]1CC[C@@](C)(CCCC(C)=CC[C@H]2C(C)=CCCC2(C)C)OO1 2356439171 GTRMWSMRZUVWBH-HXKBJWFLSA-N 406.607 6.554 50 1 HKGF COc1cccc(-c2cc([C@H](Br)C(C)=O)nc3c2oc2ccccc23)c1 587360773 PTVQNLUONXWRTP-LJQANCHMSA-N 410.267 5.682 50 1 HKGF N#CC1=C(N)Oc2c(cc(Cl)c3ccccc23)[C@H]1c1cccc(Br)c1 1857616813 OKHUXAKHIQOUKK-GOSISDBHSA-N 411.686 5.474 50 1 HKGF CC(=CCCc1coc(Cc2ccoc2)c1)CCC[C@H](C)CC(=O)[C@H](O)[C@@H](C)Cl 2356522872 XJDJFTYVYSQNPJ-XLNZFTOWSA-N 420.977 6.096 50 1 HKGF C[C@H]1CC/C(=C\c2ccc(Cl)cc2)[C@@H]2OC(N)=C(C#N)C(c3ccc(Cl)cc3)=C12 5844790 FHIISUZUVFBAAZ-INNMCQONSA-N 423.343 6.353 50 1 HKGF C[C@H](C(=O)O)[C@@H]1CC[C@@](C)(CC[C@@]2(O)[C@H](C)CC[C@H]3C(C)(C)CCC[C@@]32C)OO1 14286915 HFPXYDFQVINJBV-DEBKUUBJSA-N 410.595 5.350 50 1 HKGF COc1cccc(-c2cc([C@H](Cl)c3ccc(F)cc3)nc3c2oc2ccccc23)c1 587361016 UNTPPLVIFRLBGW-HSZRJFAPSA-N 417.867 7.124 50 1 HKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc3c(c2)CCCC3)N1 587685707 RHZAVXQYIIFEOF-LRTDBIEQSA-N 422.769 5.484 50 1 HKGF CC1=C[C@H]2C[C@@]3(C)O[C@@H]([C@]4(C)CC[C@H]([C@@H](C)C(=O)O)OO4)C[C@H]3C(C)(C)[C@H]2CC1 73386378 HVANTBKYRQAYSD-UXOJJARXSA-N 406.563 5.143 50 1 HKGF CC1(C)[C@H]2CC[C@@]1(CBr)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 587500168 RESTZWTWEHMGSG-RXYZOABWSA-N 403.360 5.491 50 1 HKGF COc1cc(/C=C/c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc(O)c1O 587785235 JNEZHOWPBPLOGT-GORDUTHDSA-N 408.348 5.811 50 1 HKGF CCS/C(Nc1ccccc1)=C(\C#N)C(=O)N/N=C\c1ccc(Cl)cc1Cl 1857744526 FJDYQEMGLNJPOQ-QONCJSKOSA-N 419.337 5.044 50 1 HKGF CCCC[C@H]1C(=O)O[C@@H]2O[C@@]3(CCc4ccccc4)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 43307822 DAXFMRYUKHELIQ-SWNIHXNYSA-N 414.542 5.178 50 1 HKGF CCCCOCc1cc(C)cc(C(=O)N(NC(=O)c2ccc(CC)cc2)C(C)(C)C)c1 103185871 XTQYEDPBVYXDDD-UHFFFAOYSA-N 424.585 5.460 50 1 HKGF Cc1ccc(C)c([C@]2([C@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587325034 WINUDFGYBBGPLJ-KXXXHFJOSA-N 424.899 6.030 50 1 HKGF CCCCOc1ccc([C@@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)cc1 587372041 HEDYLLFTZCGEJB-NRFANRHFSA-N 418.331 5.012 50 1 HKGF COc1ccc(/C(Cl)=C/C=C(\C#N)C(=O)c2c(C)[nH]c3ccccc23)cc1OC 1772637265 JSQZSEGASDKPOZ-JBQBYQKISA-N 406.869 5.406 50 1 HKGF Cc1cc(F)c([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1F 587718790 JPRGRNPBKWFPQH-XTZNXHDOSA-N 418.684 5.191 50 1 HKGF CCCN1[C@H](C)Cc2ccccc2[C@]1(CBr)c1cccc(F)c1[N+](=O)[O-] 963244952 YMIHOZIUHWFOJU-JLTOFOAXSA-N 421.310 5.029 50 1 HKGF CC1(C)O[C@](C)([C@H]2CC[C@](C)(Cl)[C@@H](Br)C2)CC[C@H]1Br 42802786 FIHHUYBIKUKVFD-XXUMUBMXSA-N 416.625 5.659 50 1 HKGF biogenic CC1(C)CCC[C@@]2(C)[C@@]1(C)CC[C@@]1(C)[C@]3(C)CC=C(C=O)C[C@@]3(C)[C@H](O)C[C@]21C 45495508 DXWFDFCYGZYCCS-XMBBIXBESA-N 400.647 6.712 50 1 HKGF Cc1cc(/C=C/C#N)cc(C)c1Oc1cc(Nc2ccc(C#N)cc2)c(N)cc1C(=O)O 84604033 IXNQALRTURCXKI-ONEGZZNKSA-N 424.460 5.528 50 1 HKGF CC1=C[C@H](O)[C@@H](Br)C(C)(C)[C@]12CC[C@](C)(Cl)[C@@H](Br)C2 139161086 MUWVHMSGCVMDSW-QIRZIZBZSA-N 414.609 5.028 50 1 HKGF CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]34C=C[C@]5(C[C@@H](O)CC[C@]5(C)C3=CC[C@@]21C)OO4 255262864 ROVBLBTUXSRVKA-RUIBFPTKSA-N 414.630 6.372 50 1 HKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1F 587338565 XNMJMXXOLVEAJR-GGAORHGYSA-N 414.835 5.472 50 1 HKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1F 587712720 AAHIWCZOQVHTGK-ZMZPIMSZSA-N 400.694 5.052 50 1 HKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)c(F)c2)([C@@H](C)Cl)N1 587725931 SYNYFZRCJGBGHN-MHNGPXOMSA-N 418.684 5.272 50 1 HKGF CC(C=O)=CCCC(C)=CCCC(C)=CCCC(C)=CCOC(=O)C=CC(=O)O 2356765294 IPFUHLGHDLEPJG-UHFFFAOYSA-N 402.531 5.495 50 1 HKGF Clc1ccc(CN(Cc2ccccc2)C2=NC[C@H](CBr)S2)cc1 82052542 KRYUESQVLCZVTC-KRWDZBQOSA-N 409.780 5.209 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1c(-c3ccccc3)[nH]c3ccccc13)O2 587371218 DZEZWZDWTPFGIR-RUZDIDTESA-N 416.908 5.825 50 1 HKGF Cc1cc(C)c([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1 587541547 CGCLSDFZOQOCRB-URXFXBBRSA-N 408.881 5.413 50 1 HKGF C[C@H](/C=C/[C@@H]1C[C@H]1C)[C@H]1CC[C@H]2[C@@]34C=C[C@]5(C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@]12C)OO4 261515745 ACIGRLRKXLVDFE-PKTBXMBNSA-N 412.614 5.838 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(C)c(Cl)c1)([C@H](C)Br)O2 587376408 XLPGTKAAFXECRJ-HXPMCKFVSA-N 408.723 5.183 50 1 HKGF C=CCn1c(C)cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587544606 OOLWWWGXEWJNLH-ZJSXRUAMSA-N 423.896 5.092 50 1 HKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCCl)(c2ccc(Cl)cc2)N1 587685846 RUZBARWLTUWKHW-BBATYDOGSA-N 417.149 5.648 50 1 HKGF C=C(CCC=CC=O)[C@@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@]3(C)CCC(=O)C(C)(C)[C@H]3CC[C@]12C 2356384604 MQEYELVNMAGBIE-QYGPIVOMSA-N 424.669 7.332 50 1 HKGF CCCCc1ccc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587684662 LKDINAIJEONRQH-LHSJRXKWSA-N 424.785 5.947 50 1 HKGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2cccc(F)c2)[C@H]1c1ccc(F)cc1 587338135 SYXLJERAGWVDQZ-UNMCSNQZSA-N 400.808 5.164 50 1 HKGF Cc1[nH]c2ccccc2c1[C@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 587684766 MDFXQHCEFGSSTG-PRWKNARSSA-N 421.741 5.395 50 1 HKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc3c(c2)CCCC3)N1 587685714 RHZAVXQYIIFEOF-ZSEKCTLFSA-N 422.769 5.484 50 1 HKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCCl)(c2ccc(F)cc2F)N1 587724312 GUHXIKZDKIEDDB-MGNBDDOMSA-N 418.684 5.273 50 1 HKGF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](CBr)(c2ccccc2Cl)N1 962957235 OASZQKNKPULVKS-RNODOKPDSA-N 403.751 5.384 50 1 HKGF Fc1ccc2c(c1)C[C@H]1CCCN1[C@@]2(CCl)Cc1ccc(Br)cc1 963096536 DWIVRBUTENPYQU-UYAOXDASSA-N 408.742 5.286 50 1 HKGF C=C(Cl)[C@](Br)(CCl)CC[C@@H](Br)C(C)(C)Cl 1638685 ODSBJZRNTONBMP-PSASIEDQSA-N 401.397 5.673 50 1 HKGF CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@]34C=C[C@]5(CCCC[C@]5(C)[C@H]3CC[C@]12C)OO4 44386837 UCQJLPOKKJIZQU-ROIBAQGNSA-N 412.658 7.503 50 1 HKGF C=C(c1ccc2ccccc2c1)C1CCC2(CC1)CO[C@@H](Nc1ccc(C)cc1)OO2 64447300 YBEPTBMNCWEZGB-HCQXFFPYSA-N 415.533 6.465 50 1 HKGF CC1(C)[C@H](Br)C[C@H]2O[C@@]2(C)[C@@]12CC[C@](C)(Cl)[C@@H](Br)C2 146482323 XHGHPMZGEBNXLW-JIGBKUHMSA-N 414.609 5.269 50 1 HKGF COc1cccc(-c2cc([C@H](Cl)C(=O)C(F)(F)F)nc3c2oc2ccccc23)c1 587359355 FRTVTRQVSLGFHA-KRWDZBQOSA-N 419.786 6.068 50 1 HKGF O=C1c2ccc(O)cc2O[C@@](CCCCl)(c2cccs2)[C@H]1c1ccc(F)cc1 587373263 ICTJJAIYBHKJLJ-UNMCSNQZSA-N 416.901 5.866 50 1 HKGF CCCc1c(O)ccc2c1O[C@](c1ccc(C)cc1)([C@H](C)Br)CC2=O 587456273 LXAMSDLVPYAOMN-QKKBWIMNSA-N 403.316 5.297 50 1 HKGF FC(F)(F)c1cc(C(F)(F)F)c2c(-c3ccccc3)c(CBr)[nH]c2c1 587625669 JUSLHERTSHMONQ-UHFFFAOYSA-N 422.166 6.767 50 1 HKGF Cc1[nH]c2ccccc2c1[C@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 587681779 AQZKHCVMTMUVKV-YBTHPKLGSA-N 421.741 5.395 50 1 HKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc3c(c2)CCC3)N1 587683593 HPCCEMNXGPLBKI-ODXCJYRJSA-N 408.742 5.094 50 1 HKGF COc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1CCl 587684880 MOMVPGZITVKGTP-WYRIXSBYSA-N 412.730 5.133 50 1 HKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2cccc(Cl)c2)N1 587688637 MSDIUBRHBGWJNI-BMLIUANNSA-N 403.122 5.258 50 1 HKGF Cc1ccc(/C=C(\C#N)c2nc3cc(Br)c(Br)cc3[nH]2)cc1 587189089 ZRXXEONFCJYVGT-WUXMJOGZSA-N 417.104 5.461 50 1 HKGF CC(C)=CCC/C(C)=C\C=C\C(C)=C/C=C\C(C)=C/C=C\C=C(C)\C=C/C=C(\C)C=O 225644668 AQXFMDSHWVVBIM-HELUZCBNSA-N 416.649 8.888 50 1 HKGF C=C(C)[C@@H](CC/C(C)=C/COc1c2occc2c(OC)c2ccc(=O)oc12)OO 238744258 QQMDGBRVBLDRAM-RKCSUWQLSA-N 400.427 5.087 50 1 HKGF C[C@@H](c1ccc(CBr)cc1)c1nc2cc(Br)cc(F)c2[nH]1 586973711 NAFZUSMGGBLTKI-VIFPVBQESA-N 412.100 5.511 50 1 HKGF COc1cc2c3c(c1)O[C@@](c1ccc(C(C)C)cc1)([C@H](C)Br)[C@@H](C2)C3=O 587413250 GAYPQMCLFJNVQA-KVYZTJHFSA-N 415.327 5.245 50 1 HKGF CCOc1ccc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587500177 RMASBQXWFKYQNZ-QFIPXVFZSA-N 415.327 5.220 50 1 HKGF C[C@@H]1C[C@H](O)[C@H](Br)C(C)(C)[C@]12CC[C@@](C)(Cl)[C@@H](Br)C2 2356575931 IDWIUXHNQBVESY-DONFBDJXSA-N 416.625 5.108 50 1 HKGF CCCC/C(C)=C/[C@@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1 8020449 ODYSAWYGZWJOPM-VYNOCKSYSA-N 403.506 6.383 50 1 HKGF CC(C)[Si](OC1=CCC[C@H]2NC(=O)[C@@H](Cc3ccccc3)[C@@]12C)(C(C)C)C(C)C 195501821 MAEFGDXAOKXWIQ-TZBSWOFLSA-N 413.678 6.220 50 1 HKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2cccc(Cl)c2)N1 587689273 RJPVUPJSEWWLOD-BMLIUANNSA-N 403.122 5.258 50 1 HKGF CC[C@H](C)C=C[C@@H](C)[C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]23C=C[C@@]2(C[C@@H](O)CC[C@]12C)OO3 2356684462 RMCNEIUNJZPGIG-XOAOJOHESA-N 414.630 6.228 50 1 HKGF C[C@@H](c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)c1ccccc1C(F)(F)F 587097770 KHJLFZYDEFYPDK-SECBINFHSA-N 416.337 7.391 50 1 HKGF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC=C4C[C@H](OO)CC[C@]4(C)[C@H]3CC[C@]21C 2356512931 LESGHGUKCRHTCP-ZYFDWDLDSA-N 412.658 7.828 50 1 HKGF C=C1CCC=C(C)C[C@H](OC(=O)C=Cc2ccc(O)cc2)CC(C)(C)C[C@@H]1OO 2356521467 ZDRHNSQPEYXBDI-VXKWHMMOSA-N 400.515 5.668 50 1 HKGF BrC[C@]1(C2CCCCC2)NC2(CC2)Cc2ccc(Br)cc21 961618262 ZNPUKYRMXVSNNK-GOSISDBHSA-N 413.197 5.298 50 1 HKGF COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)c(NC(=O)CCl)c3CC[C@H]21 1857632710 BBKVKTVBKVPQTH-SXSPYAJSSA-N 405.966 5.171 50 1 HKGF C=C1CCCC(C)(C)[C@]1(O)CC/C(C)=C/CC[C@]1(C)CC[C@H]([C@@H](C)C(=O)OC)OO1 42921335 RZBOFZRCMWQHOO-DZONUBBUSA-N 422.606 5.669 50 1 HKGF Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NCCCCC[C@@H]1CCSS1)O2 45351178 XMTOUSCPUZQYRA-VGOFRKELSA-N 423.644 5.231 50 1 HKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(C(Cl)Cl)N1 587690179 ZWMUGSMLPBFSLP-BTDLBPIBSA-N 403.122 5.170 50 1 HKGF CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@]34C=C[C@]5(C[C@@H](O)CC[C@@]5(C)C3=CC[C@]12C)OO4 255262866 ROVBLBTUXSRVKA-RXLDDRTQSA-N 414.630 6.372 50 1 HKGF COc1cc2c3c(c1)O[C@@](c1cc(C)n(-c4ccccc4)c1C)([C@@H](C)Cl)[C@@H](C2)C3=O 587418720 UZYCKWGEBFYEPE-YFLQWDEBSA-N 421.924 5.373 50 1 HKGF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(C(C)(C)C(=O)OC)cc3)c(CCCl)c2c1 587639334 RXCZRXJKMWERBO-MRXNPFEDSA-N 411.973 6.580 50 1 HKGF COc1ccc([C@@]2(CCCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587684790 MNZUUDHKSNLOAT-CWTRNNRKSA-N 412.730 5.004 50 1 HKGF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@@]2(CCCCCCCl)c1ccccc1F 963108138 KWOKXMDIOITGLL-GBXCKJPGSA-N 403.944 6.418 50 1 HKGF CC(C)c1ccc2c(CCC/C=N\NC(=O)Nc3ccccc3)cc(C(=O)O)c-2cc1 29405061 ZOFSMRBLVUVSTD-YSMPRRRNSA-N 417.509 5.743 50 1 HKGF CCCCC(CCCC)N(NC(=O)c1ccccc1Cl)C(=O)c1cccc(F)c1 43080740 UUDVJXBRQFYJGS-UHFFFAOYSA-N 418.940 6.015 50 1 HKGF CCOc1ccccc1[C@H]1C(C#N)=C(C)N=C2C[C@H](c3ccc(Cl)cc3)CC(O)=C21 103637245 KKQOBLSIWYXZNW-XDHUDOTRSA-N 418.924 6.464 50 1 HKGF CC(C)(C)C(=O)N1CSC[C@H]1c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587044261 YHGNOUWYSMFFTP-LBPRGKRZSA-N 415.453 5.840 50 1 HKGF COc1cc2c3c(c1)O[C@](CCl)(c1ccc(Oc4ccccc4)cc1)[C@@H](C2)C3=O 587416974 HGXNJGRBJYMYNN-GBXCKJPGSA-N 406.865 5.369 50 1 HKGF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(NC(=O)CCCCl)cc1)CC2=O 587458384 AUWWSNVCQZGXGZ-QHCPKHFHSA-N 415.917 5.183 50 1 HKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)Cc1ccccc1Cl 587542224 GEMHWFZFNCKMLF-UGKGYDQZSA-N 415.272 5.228 50 1 HKGF C=C(C[C@H](C)C1=CCC[C@@H]2CCC3=CC(=O)CC[C@]3(C)[C@H]2CC[C@]1(C)OO)C(C)C 2356802565 SKEROCLLSJUTTC-KNRVSPILSA-N 414.630 7.295 50 1 HKGF CCCCCc1cc(O)cc(OCCCCCCCCCCC(=O)NN(C)C)c1 299826007 DOUCVXLMZKRXNQ-UHFFFAOYSA-N 406.611 5.607 50 1 HKGF O=C(CCCl)Nc1ccccc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587103109 BZEWURAEBKUGEZ-UHFFFAOYSA-N 412.876 5.681 50 1 HKGF CCc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587327311 OXUBIIBLJSRPAJ-LADGPHEKSA-N 410.872 5.587 50 1 HKGF NNC(=O)c1ccc2nc(-c3cc(-c4cccc5ccccc45)ccc3Cl)[nH]c2c1 587050482 QYJOBCCECAIKQD-UHFFFAOYSA-N 412.880 5.307 50 1 HKGF FS(F)(F)(F)(F)c1ccc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2c1 587076208 LNHMIFIPHLNTAH-HNNXBMFYSA-N 423.794 6.491 50 1 HKGF CC(C)(F)[C@@H](Br)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 587087692 SQYTXTKBYDQLHS-VIFPVBQESA-N 418.026 5.528 50 1 HKGF N#CSC[C@@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587340274 XOOIXVBJJZUUTA-GGAORHGYSA-N 423.440 5.139 50 1 HKGF COc1cc2c3c(c1)O[C@@](c1cc(C)n(-c4ccccc4)c1C)([C@H](C)Cl)[C@@H](C2)C3=O 587418719 UZYCKWGEBFYEPE-WZSOFCAESA-N 421.924 5.373 50 1 HKGF FS(F)(F)(F)(F)c1ccc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c2c1 587954936 FBEWOICHGZDTPA-SFHVURJKSA-N 424.438 7.595 50 1 HKGF C[C@]1(c2cccc(/C=C/C=O)c2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587333303 NCUYKTKALUPZLA-YAWFNNLFSA-N 420.411 5.157 50 1 HKGF O=[N+]([O-])c1ccc([C@@]2(CCCCCl)NCCc3c(Cl)cc(Cl)cc32)cc1 963125242 SGRDRIJQATXEAT-LJQANCHMSA-N 413.732 5.700 50 1 HKGF CC(C)(C=C[C@@H]1[C@H]2c3c4cc5oc(=O)ccc5c3O[C@@]1(C)CC[C@H]2C(C)(C)O4)OO 2356649805 ZPVBIQWUZYXRCN-LAQHFVPDSA-N 412.482 5.049 50 1 HKGF CC(C)CN(Cc1cc(Cl)c(C#N)cc1Br)C(=O)/C=C/[C@@H](C)Cl 103284783 ABLNVPZNQLBXKX-ZYOFXKKJSA-N 418.162 5.142 50 1 HKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)c1c[nH]c2cc(F)ccc12 587572731 WHPLBSBLWRRNRS-NZQKXSOJSA-N 423.827 5.109 50 1 HKGF Oc1ccc(-c2nc(-c3ccc(Oc4ccccc4CBr)cc3)no2)cc1 653771373 GRVHYFCYWWCZJH-UHFFFAOYSA-N 423.266 5.796 50 1 HKGF CCO/C(O)=C1\C(C[S@@](=O)c2ccccc2)=NC(C)=C(C#N)[C@@H]1C1CCCCC1 40685269 KOBLDOREUGIFTN-WJPJUITFSA-N 412.555 5.049 50 1 HKGF C=C(c1ccc2c(ccc3ccccc32)c1)[C@@H]1COC2(OO1)C1CC3CC(C1)CC2C3 43543964 LBHNCRWJBHTCBE-HKEIJOOYSA-N 412.529 6.506 50 1 HKGF CCOC(=O)C1=C(c2ccc(Cl)cc2)NC(C)=C(C#N)[C@@H]1c1ccccc1Cl 58576063 QIBPOJRXAVDMKA-IBGZPJMESA-N 413.304 5.452 50 1 HKGF C[C@@H](CCCCCC/C=C\C=C\c1ccccc1)C[C@@]1(C)C[C@](C)(CC(=O)O)OO1 84615096 GBVSDTSXHOBZRG-WSDUNAMISA-N 414.586 6.967 50 1 HKGF COc1cc2c3c(c1)O[C@@](c1ccc(C(C)C)cc1)([C@@H](C)Br)[C@@H](C2)C3=O 587413248 GAYPQMCLFJNVQA-CBJTVTONSA-N 415.327 5.245 50 1 HKGF O=C1C[C@](CBr)(c2cccc3ccccc23)Oc2c1ccc1c2CCCC1 587500178 RMVQRRIYPPEHCA-DEOSSOPVSA-N 421.334 5.974 50 1 HKGF CCc1ccc(CC)c([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587689727 VICLMLACCCBYAS-LRTDBIEQSA-N 424.785 5.730 50 1 HKGF S=C=Nc1ccc([C@@]2(c3ccccc3)NCCc3cccc(-c4ccccc4)c32)cc1 962672199 XUMPYQSNNYJOST-MUUNZHRXSA-N 418.565 6.526 50 1 HKGF CC[C@@H](NC(=O)/C(C#N)=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccccc1 73157266 QQBHHFCNEDEFSS-IYYMRFBLSA-N 401.422 5.029 50 1 HKGF CCCCC[C@@H](Cl)[C@H](Cl)C[C@H](Cl)[C@H](Cl)CCCCCCCC(=O)O 100290582 FRSRMUYUIAXUAX-VQHPVUNQSA-N 422.264 7.202 50 1 HKGF C=C1CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)CC[C@]1(C)CC[C@@H]([C@@H](C)C(=O)OC)OO1 140299961 XZMSFDWECPXXRJ-JAVRITLLSA-N 406.607 6.244 50 1 HKGF COc1cc2c3c(c1)O[C@](CBr)(c1ccc(C(C)(C)C)cc1)[C@@H](C2)C3=O 587415061 ZZDFGOVUEDGDNY-HTAPYJJXSA-N 415.327 5.031 50 1 HKGF Cc1cc(C)c([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1C 587541678 CWUKQAVBSLSXTR-RCZVLFRGSA-N 422.908 5.722 50 1 HKGF O=C(Nc1ccccc1OC(=O)c1ccc(CCl)cc1)c1ccc(CCl)cc1 72170721 DXYZEGBVJIVEQT-UHFFFAOYSA-N 414.288 5.636 50 1 HKGF C=C1CCC=C(C)C[C@H](OC(=O)/C=C/c2ccc(O)cc2)CC(C)(C)C[C@@H]1OO 253679913 ZDRHNSQPEYXBDI-QTRXDSEASA-N 400.515 5.668 50 1 HKGF N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587270579 NXMZNWPGHNKOMR-LBPRGKRZSA-N 408.352 5.371 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)c(Br)cc1C)O2 587379201 ZYIVIFBBYXPHPV-LJQANCHMSA-N 408.723 5.056 50 1 HKGF CC1(C)[C@@H]2CC[C@@]1(C)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)[C@H]2Br 587496891 AOABHWMJRNVGPB-SAIGTISXSA-N 403.360 5.489 50 1 HKGF C/C1=C\[C@H](OC(=O)NCCCl)C[C@@](C)(O)/C=C\[C@H](C(C)C)CC/C(C)=C/CC1 169364580 ASERFLMHCJBCPH-ZRLIACKSSA-N 412.014 5.756 50 1 HKGF COc1ccc(C=O)c2cc(-c3nc4cc(S(F)(F)(F)(F)F)ccc4[nH]3)oc12 586903768 MVZGDYXVQYMDEE-UHFFFAOYSA-N 418.343 6.455 50 1 HKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(N=[N+]=[N-])cc1)CC2=O 587456144 LDFAMNDOPWYHMD-IBGZPJMESA-N 416.275 5.542 50 1 HKGF COc1ccc([C@]2([C@H](C)Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587686208 BXXZSNGRLIPEOV-ZKTNFTSUSA-N 412.730 5.002 50 1 HKGF C[C@@H](CCCN=C=S)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O 1911586376 DHVFANUPRVZAPZ-ZHJPMIONSA-N 419.675 5.496 50 1 HKGF C[C@@H]1CC/C(=C\c2ccc(Cl)cc2)[C@H]2OC(N)=C(C#N)C(c3ccc(Cl)cc3)=C12 5844774 FHIISUZUVFBAAZ-VDKXSCDSSA-N 423.343 6.353 50 1 HKGF CC1=C(CC/C(C=O)=C\C[C@H]2OC(=O)C=C2CO)[C@@]2(C)CCCC(C)(C)[C@@H]2CC1 38725866 LJXILPIFWYMKCJ-HSACWFNSSA-N 400.559 5.069 50 1 HKGF C[C@@H](Br)[C@@]1(c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587505758 PYMURIQAEOWUID-LRTDBIEQSA-N 403.291 5.349 50 1 HKGF Cc1cc(C)c([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C 587688576 MINNDERUTUHZMO-VLIAUNLRSA-N 410.758 5.530 50 1 HKGF CCOC(=O)Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587777342 FZDVJSIKXKDMJC-UHFFFAOYSA-N 409.174 5.088 50 1 HKGF Cc1ccc2c3c(cc([C@H](Br)c4ccccc4)nc13)-c1ccccc1C2=O 586994127 VUZJUCWOOXRXJF-JOCHJYFZSA-N 414.302 6.239 50 1 HKGF C[C@]1(c2ccc(N=C=S)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587370659 AKAJPCCMKSDJQY-JTHBVZDNSA-N 405.450 5.540 50 1 HKGF CCC(C)(C)c1ccc(OCc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 587564701 OTCQQDCNSNMZDQ-UHFFFAOYSA-N 420.447 7.487 50 1 HKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1F 587721510 WLAICMUADIBJGF-ZMZPIMSZSA-N 400.694 5.052 50 1 HKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(C)c1F 587721989 XILWBAJYVUPIGK-HXPMCKFVSA-N 414.721 5.361 50 1 HKGF Cc1c([C@]2(CBr)c3c(F)cccc3C[C@@H]3CCCN32)oc2ccccc12 963102012 JYMCRMOZACVFEW-AOMKIAJQSA-N 414.318 5.539 50 1 HKGF Oc1ccc(NC2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)c2cccnc12 473118043 KLANSUPEVNKFAE-UHFFFAOYSA-N 422.525 5.122 50 1 HKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(C1CC1)[C@@H](Cl)c1ccccc1F 587566661 AIYGMWSVSCZMRH-OYDLWJJNSA-N 424.855 5.622 50 1 HKGF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](CCCCCl)(c2ccc([N+](=O)[O-])cc2)N1 962948000 CXQYEPDJFUMRJO-SBUREZEXSA-N 411.933 5.653 50 1 HKGF CC[C@@H](c1ccc(O)cc1)[C@H](CCCCOC(=O)NCCCl)c1ccc(O)cc1 29331061 XFULZZDRCBRZJK-FCHUYYIVSA-N 419.949 5.511 50 1 HKGF C[C@@H](Oc1ccccc1)C(=O)NCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587223802 GIVRSYJLMKXVTG-LLVKDONJSA-N 421.391 5.304 50 1 HKGF C=C1C[C@H](OC(C)=O)[C@H](Br)C(C)(C)[C@]12C=CC(=CBr)CC2 2356845256 OCXDCMCGDUTAKR-ZOBUZTSGSA-N 418.169 5.283 50 1 HKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](c3cccn3Cc3ccccc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 103192679 LCLDDRCUMLQVGV-MRDIVBMFSA-N 423.553 5.459 50 1 HKGF COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1CCl 587544696 NKSFESMIEFXHAK-NFBKMPQASA-N 410.853 5.017 50 1 HKGF N#CSC[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587608204 QATPBCYGWOQHOE-DENIHFKCSA-N 423.877 5.117 50 1 HKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(F)c(Cl)c2)N1 587717041 KMMQNXSPGSTDFC-VVVCHXIZSA-N 421.112 5.397 50 1 HKGF COc1cc(/C=C/c2ccc(O[Si](C)(C)C(C)(C)C)cc2)cc(OC)c1OC 195290202 VHVFBVPDUHTLSL-MDZDMXLPSA-N 400.591 6.267 50 1 HKGF O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc(F)c(F)c2)[C@H]1c1ccc(F)cc1 587331309 JCAQUDACIIYXDW-RBBKRZOGSA-N 418.798 5.303 50 1 HKGF CC(C)c1ccc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C(C)C)c1 587499576 VYEHIUFOODGQHG-AREMUKBSSA-N 410.985 6.912 50 1 HKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)C(Cl)Cl 587542397 GZOAHWBOXUOSMW-UWJYYQICSA-N 401.245 5.053 50 1 HKGF COC(=O)C(C)(C)c1ccc(-c2[nH]c3ccc(F)c(Cl)c3c2CCCl)cc1 587629079 ZPPRDVMAYCYSST-UHFFFAOYSA-N 408.300 5.859 50 1 HKGF C[C@]1([C@@H](Cl)c2ccc(F)cc2)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962631270 DMWYKMVSJNLUHE-DMTNHVFBSA-N 420.959 5.768 50 1 HKGF Cc1ccc(C2=C(C#N)C(=O)N[C@](c3ccc(C(C)(C)C)cc3)(C(F)(F)F)C2)cc1 1772611357 SWGRXKTWGGZGSR-HSZRJFAPSA-N 412.455 5.547 50 1 HKGF C[C@@H](CCC[C@H](C)CCCCc1ccccc1)C[C@]1(C)C[C@](C)(CC(=O)O)OO1 2356587822 YVFXEWAKTKCCQQ-WIVXBSKCSA-N 404.591 6.576 50 1 HKGF C=CCC[C@H](OCOCCOC)c1cc(C)c(O[Si](C)(C)C(C)(C)C)c(C)c1 195453728 GXDCHEFQKSOVBO-NRFANRHFSA-N 408.655 6.332 50 1 HKGF O=C1C[C@](CBr)(c2c(F)cccc2Cl)Oc2c1ccc1c2CCCC1 587506243 NARWWEAGHYAVGC-FQEVSTJZSA-N 423.709 5.614 50 1 HKGF C=C(C)[C@H](CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)OO 2356337366 UEYFSWJEKNBMRD-KHWZKQRFSA-N 416.646 6.777 50 1 HKGF CC1=C(C#N)[C@H](c2cccc(Cl)c2Cl)C2=C(O)C[C@H](c3ccccc3)CC2=N1 103521214 SUJYBCZXBKDUPQ-VFNWGFHPSA-N 409.316 6.719 50 1 HKGF Oc1ccc(-c2ccccc2-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 586898397 KEEDYWNGRZUGNA-UHFFFAOYSA-N 412.383 7.260 50 1 HKGF CC(C)(c1ccccc1)[C@@]1(CBr)CC(=O)c2ccc3c(c2O1)CCCC3 587499381 MQWZMZSOXRUTGZ-QHCPKHFHSA-N 413.355 5.642 50 1 HKGF C=C1CCC[C@@H]2[C@@](C)(CC[C@]3(C)CC[C@H]([C@@H](C)C(=O)OC)OO3)[C@H](C)CC[C@@]12C 43068486 XZMSFDWECPXXRJ-RQVJOWGGSA-N 406.607 6.244 50 1 HKGF C[C@H]1C[C@@](C)(C[C@H](C)CCCCCCCCCc2ccccc2)OO[C@H]1CC(=O)O 238736139 GMTBZACDABXTKT-CDTXBXJGSA-N 418.618 6.966 50 1 HKGF O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587269014 HAJMFZJUQFRRII-UHFFFAOYSA-N 423.319 5.520 50 1 HKGF CC[C@H](Br)[C@@]1(c2ccc(Cl)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587415503 UIFKANYVIANYHZ-SYNHAJSKSA-N 421.718 5.165 50 1 HKGF Fc1ccc2c(c1)C[C@H]1CCCN1[C@]2(CCl)Cc1ccc(Br)cc1 963096533 DWIVRBUTENPYQU-QUCCMNQESA-N 408.742 5.286 50 1 HKGF CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]23C=C[C@@]2(C[C@@H](O)CC[C@]12C)OO3 2356584462 FOISYVRNZSWLHL-ZTIYTSHVSA-N 416.646 6.452 50 1 HKGF CC[C@@]1(C)C[C@@H]1c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 586892645 VKMZTCQGWSKLDJ-OQPBUACISA-N 405.230 6.886 50 1 HKGF Cc1cccc2nc(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c12 587056285 OPAQXUMQKMBJRW-BOPFTXTBSA-N 421.331 6.650 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1cccc(CBr)c1)O2 587377694 OZCOQQDDYBGCOU-QHCPKHFHSA-N 422.322 5.381 50 1 HKGF Cc1cc(C)c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1CCl 587545952 UDYGFUJJLWOIKZ-RCZVLFRGSA-N 422.908 5.933 50 1 HKGF CCCSc1nc(N(CC)CC)c2cnn(C[C@H](Cl)c3ccccc3)c2n1 40379482 NNKDGXZSBXXCSJ-KRWDZBQOSA-N 403.983 5.155 50 1 HKGF Cc1cc(/C=C(/C#N)c2nc3ccnc(O)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587056338 PEYXNFGWDHGUHD-ZROIWOOFSA-N 424.291 5.442 50 1 HKGF C[C@]1(c2cccc(/C=C/C=O)c2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587333301 NCUYKTKALUPZLA-RKFPQKHCSA-N 420.411 5.157 50 1 HKGF C=C(Br)[C@](C)(Br)CC[C@H](Br)C(C)(C)Cl 1637285 ORSDYIOUHDVWAO-WCBMZHEXSA-N 411.403 5.610 50 1 HKGF O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc(Cl)s2)[C@H]1c1ccc(F)cc1 587376478 PJDDREGNABCGOL-AZUAARDMSA-N 423.292 5.739 50 1 HKGF C[C@]1(c2ccccc2OCCBr)CC(=O)c2ccc3c(c2O1)CCCC3 587500912 VJWFSGHKPFKISI-JOCHJYFZSA-N 415.327 5.220 50 1 HKGF CC(C)[C@@H]1CC[C@]2(C)[C@@H]1CC[C@]1(C)[C@]3(C)CC[C@]4(C)C(C=O)=CCC[C@@H]4[C@@H]3CC[C@]21C 2356687468 QUGNUGVPSFQDGD-NNNISZGYSA-N 424.713 8.233 50 1 HKGF C[C@@H](CCCCCCc1ccccc1)C[C@@H](C)C[C@]1(C)C[C@]2(C)OC(=O)C[C@@H]2OO1 44386761 BFGVFWWNBPNNKE-CLOLZIAHSA-N 416.602 6.417 50 1 HKGF N#CSC[C@@H]1C[C@](O)(c2ccccc2)[C@@H](c2ccccc2)[C@H](c2ccc(F)cc2)O1 49115120 LKLSPOXUXUIYBW-QORCZRPOSA-N 419.521 5.542 50 1 HKGF CC[C@H](C)c1ccc2[nH]c(-c3ccc(C(C)(C)C(=O)OC)cc3)c(CCCl)c2c1 587639333 RXCZRXJKMWERBO-INIZCTEOSA-N 411.973 6.580 50 1 HKGF C[C@@H](Cl)[C@@]1(c2c[nH]c3ccccc23)c2cccc(Br)c2CCN1C 963279655 IGRMEEBASUADIM-XCLFUZPHSA-N 403.751 5.289 50 1 HKGF CCOc1ccc(/C=N/NC(=O)/C=C/Cc2ccc(C(C)(C)C)cc2)cc1OCC 1857639525 QVQDLKGALOYFBY-IOCMRUIQSA-N 408.542 5.031 50 1 HKGF CCCCCc1ccc(C(=O)NN(C(=O)c2ccccc2Cl)C(C)(C)C)cc1 103197651 WDOUSRDVKPFXSK-UHFFFAOYSA-N 400.950 5.658 50 1 HKGF COc1ccc(/C=C\c2cc(OC)c(O[Si](C)(C)C(C)(C)C)c(OC)c2)cc1 195254212 QYELFYNGCBSTLN-KTKRTIGZSA-N 400.591 6.267 50 1 HKGF CC(C)CCC[C@@H](C)[C@H]1CCC2=C3C=C[C@@]45C[C@@H](O)CC[C@]4(C)[C@]3(CC[C@@]21C)OO5 261524866 WEAGYKPBVZBNAJ-KNOFZFNKSA-N 414.630 6.516 50 1 HKGF O=C1C[C@H](c2ccc(OCCCBr)cc2)Oc2c1ccc1c2CCCC1 587498414 HEALFNSCVPAUSV-OAQYLSRUSA-N 415.327 5.436 50 1 HKGF C=C(CCC1=C(C)CCCC1(C)C)[C@H](O)CC[C@@]1(C)CC[C@H]([C@H](C)C(=O)O)OO1 42852739 NDKHPMJGCFZKDC-WTMJVXIESA-N 408.579 5.581 50 1 HKGF C[C@H](CCCCCC/C=C/C=C/c1ccccc1)C[C@]1(C)C[C@@](C)(CC(=O)O)OO1 85775604 GBVSDTSXHOBZRG-ASNLOXLGSA-N 414.586 6.967 50 1 HKGF Cc1[nH]c(C(=O)[C@@H](C)Cl)c(C)c1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587102097 QAWLGLLXNXXHGK-CYBMUJFWSA-N 414.892 5.868 50 1 HKGF O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc3c(c2)CCC3)[C@H]1c1ccc(F)cc1 587325713 GWFANYBSJOOKII-UKILVPOCSA-N 422.883 5.513 50 1 HKGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc3c(c2)COC3)[C@H]1c1ccc(F)cc1 587330036 ZXAUJYJEMMEXOT-UPVQGACJSA-N 424.855 5.055 50 1 HKGF O=C1C[C@@](CBr)(c2cccc(Cl)c2)Oc2c1ccc1c2CCCC1 587499655 NXADHONGIQPLHY-HXUWFJFHSA-N 405.719 5.474 50 1 HKGF CCCC/C(C)=C\[C@@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1 73398877 ODYSAWYGZWJOPM-CESHLQFJSA-N 403.506 6.383 50 1 HKGF CCc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587327310 OXUBIIBLJSRPAJ-ISKFKSNPSA-N 410.872 5.587 50 1 HKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)c1cccc(Cl)c1 587544461 NWEZACQVHCDEDU-WIYYLYMNSA-N 401.245 5.142 50 1 HKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2c[nH]c3ccccc23)N1 587682415 CCHLFROILWJEFB-WYRIXSBYSA-N 407.714 5.086 50 1 HKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCCCl)(c2ccc(O)cc2)N1 587686766 XHFJMHJAWASUOL-HXPMCKFVSA-N 412.730 5.091 50 1 HKGF O=[N+]([O-])c1ccc2c(c1)c(OCc1ccccc1)nn2CCCCCBr 45339840 SGNMKBDUPOZWBA-UHFFFAOYSA-N 418.291 5.089 50 1 HKGF C[C@H](Oc1ccccc1)C(=O)NCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587223804 GIVRSYJLMKXVTG-NSHDSACASA-N 421.391 5.304 50 1 HKGF CCCCCCc1ccc([C@@]2([C@@H](C)Cl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587418672 UXPJSXSFTXBCGZ-HKGBXIQFSA-N 412.957 6.088 50 1 HKGF C[C@]1(c2oc3ccccc3c2NC(=O)CCl)CC(=O)c2ccc3c(c2O1)CCCC3 587498818 OUHXXVWLXPQVDG-XMMPIXPASA-N 423.896 5.370 50 1 HKGF Fc1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2CCCl)cc1 587626905 YPWJDXAUQWDVKR-UHFFFAOYSA-N 409.732 6.793 50 1 HKGF C[C@H](CCCCC=CCCC=Cc1ccccc1)C[C@]1(C)C[C@@](C)(CC(=O)O)OO1 2356514325 CRORVGKIBBBYNQ-DNRSQYFGSA-N 414.586 6.967 50 1 HKGF CCc1nn(C)c(C(=O)N[C@@H](CCl)c2ccc(Oc3ccccc3)cc2)c1Cl 103170578 VKRZGTXOLBXZCX-SFHVURJKSA-N 418.324 5.138 50 1 HKGF C[C@@H]1CC[C@H]2[C@@H](CCCc3ccc(Cl)cc3)CO[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 103195907 PKLRQGBISBQRKI-TXRQHSEUSA-N 406.950 5.525 50 1 HKGF C[C@H]1C[C@H]1/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@]34C=C[C@]5(C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@]12C)OO4 255191878 ACIGRLRKXLVDFE-RMVUWKEWSA-N 412.614 5.838 50 1 HKGF COc1ccc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c(C(F)(F)F)c1 587097608 LTNOTSXKSYHFDB-UHFFFAOYSA-N 418.309 6.915 50 1 HKGF Fc1cccc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1C(F)(F)F 587097627 LYTOJFQRGRKPNZ-UHFFFAOYSA-N 406.273 7.045 50 1 HKGF CCc1ccc(CC)c([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587543800 LIVPADMFRLDQNS-RDGATRHJSA-N 422.908 5.613 50 1 HKGF C=C(C)C1=CC2=CC[C@@H]3[C@](C)(C(=O)Oc4ccc([N+](=O)[O-])cc4)CCC[C@]3(C)[C@@H]2CC1 2356849049 BHHOISVHWJKJHR-PZXVYJQKSA-N 421.537 6.556 50 1 HKGF C=C(c1ccc2c(c1)Cc1ccccc1-2)[C@@H]1COC2(OO1)C1CC3CC(C1)CC2C3 43552578 BPJSBHZOGUVMEE-OBKYWCACSA-N 400.518 5.770 50 1 HKGF c1ccc(C[C@@H]2CCCCC23OOC2(CCCC[C@@H]2Cc2ccccc2)OO3)cc1 43938813 GILGRANAQUGKGS-JVOXHRMMSA-N 408.538 6.155 50 1 HKGF Cc1ccc(/C=C(/C#N)c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc1 587188423 SCTZLLNNJSMWIR-SDQBBNPISA-N 422.204 5.597 50 1 HKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)C(Cl)Cl 587542395 GZOAHWBOXUOSMW-LAUBAEHRSA-N 401.245 5.053 50 1 HKGF C=CCCC=CC=CCCCCCC[C@@H]1CC[C@H]([C@@H]2CC[C@@H](CC(=O)OC)OO2)O1 2356543476 SNBDLVZWQJBVDH-QPXUXIHVSA-N 420.590 5.996 50 1 HKGF C=C(CC[C@@H](O)c1ccc(Cl)cc1)[C@@H]1COC2(OO1)C1CC3CC(C1)CC2C3 14176234 GLPSNSCSGRSQHK-GPJBJNHGSA-N 404.934 5.209 50 1 HKGF C=C(c1ccc(Cl)cc1)[C@H]1OOC2(CCCCC2)O[C@@H]1c1ccc(Cl)cc1 95582302 LBAHYNBUTSCUKE-NHCUHLMSSA-N 405.321 6.755 50 1 HKGF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@@H](Br)[C@H]2CC[C@]1(C)C2(C)C 587457309 XNQBKRMAYCEKDP-PSRGHPOCSA-N 407.348 5.268 50 1 HKGF O=C1C[C@@](CCl)(c2ccc(C3CCCCC3)cc2)Oc2c1ccc1c2CCCC1 587497661 JUSOXDPQZIREMB-AREMUKBSSA-N 408.969 6.713 50 1 HKGF Cc1cccc2[nH]cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c12 587543837 LUCNCWQUEZIXHB-ZJSXRUAMSA-N 419.864 5.278 50 1 HKGF C[C@H](Br)[C@]1(c2ccc(F)cc2)NCCc2cc(-c3ccccc3)ccc21 962662861 CTHQLNUCRGGXAE-QMHKHESXSA-N 410.330 5.665 50 1 HKGF CC[C@H](Oc1ccccc1Cl)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587062006 NMDOITAEHYBDIH-AWEZNQCLSA-N 412.811 7.404 50 1 HKGF CC(C)[C@H](Br)[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587500118 QMIQGBQDWICOMT-XZOQPEGZSA-N 413.355 5.846 50 1 HKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2cccc3cc[nH]c23)N1 587683605 HRJAOBGDQLBDTM-WYRIXSBYSA-N 407.714 5.086 50 1 HKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCCCl)(c2cccs2)N1 587847943 NBARXYXHIDXJDQ-DIFFPNOSSA-N 402.760 5.447 50 1 HKGF C=C1CCCC(C)(C)[C@@]1(O)CC/C(C)=C/CC[C@@]1(C)CC[C@H]([C@H](C)C(=O)OC)OO1 653730272 RZBOFZRCMWQHOO-FALMSCEVSA-N 422.606 5.669 50 1 HKGF Cc1cc(C)c([C@]2(CCl)c3cccc(F)c3CCN2[C@@H]2CCSC2)cc1C 962697848 IGCULZCEZRYTRL-JPYJTQIMSA-N 403.994 5.597 50 1 HKGF Cc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)c1 587327338 PICGNCUBTMGHIN-ISKFKSNPSA-N 410.872 5.641 50 1 HKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(CBr)cc2)N1 587673894 RGAGKSCJYMSKSR-BTDLBPIBSA-N 413.128 5.107 50 1 HKGF Cc1cc(C)c2c(c1)OC=C(C=O)[C@]21c2ccccc2CCN1[C@H](C#N)c1ccccc1 963199778 DCZHVQRDFZGLJE-NAKRPHOHSA-N 420.512 5.145 50 1 HKGF CCCCCCNCCC[PH](c1ccccc1)(c1ccccc1)c1ccccc1 49807992 PCDDERYUIFXZTG-UHFFFAOYSA-N 405.566 5.273 50 1 HKGF C[C@]1(c2ccc(Cl)s2)CC(c2ccc(Cl)s2)=C(C#N)C(=C(C#N)C#N)N1 73295020 SSGVXTHTVXDYFA-GOSISDBHSA-N 417.346 5.604 50 1 HKGF FC(F)(F)c1cc(Br)c2[nH]c(CCCCBr)nc2c1 586972473 SVAAUDRYWKMPPI-UHFFFAOYSA-N 400.036 5.062 50 1 HKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c([C@H](Cl)CCl)nc2c1 587007586 GKPSJDSRUFJSMY-ZCFIWIBFSA-N 420.028 6.502 50 1 HKGF CC(=CC=C[C@]1(C)CCCc2ccoc21)CCC[C@H](C)CC(=O)[C@H](O)[C@@H](C)Cl 2356555071 IGLKUNSGZGFDPG-JDKSZYQJSA-N 406.994 6.130 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCCCl)(c1ccc(Br)s1)O2 587410459 NAGPXIAOXUKNSN-QGZVFWFLSA-N 414.752 5.281 50 1 HKGF CCCc1c(O)ccc2c1O[C@](CCl)(Cc1ccccc1Br)CC2=O 587457098 VRMCTACBWYIYBI-HXUWFJFHSA-N 423.734 5.293 50 1 HKGF O=C1C[C@@](CCCl)(c2ccc(Br)cc2)Oc2c1ccc1c2CCCC1 587495651 DVJPHNNQPWJKJM-NRFANRHFSA-N 419.746 5.818 50 1 HKGF Cc1cc(C)c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1CCl 587545956 UDYGFUJJLWOIKZ-WIOPSUGQSA-N 422.908 5.933 50 1 HKGF Cc1cc([C@]2(CCCCl)N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)ccc1F 962731947 VBJCULKGZFVRMX-QUCCMNQESA-N 413.842 5.042 50 1 HKGF Oc1cc2cc([C@]3(CCl)c4c(F)cccc4C[C@@H]4CCCN43)c(Cl)cc2[nH]1 963117324 YWXJFMAOHPKAEZ-LHSJRXKWSA-N 405.300 5.169 50 1 HKGF CC(C)=CCC/C(C)=C/C=C\C(C)=C/C=C\C(C)=C/C=C\C=C(C)\C=C/C=C(\C)C=O 225644632 AQXFMDSHWVVBIM-OQDURXTESA-N 416.649 8.888 50 1 HKGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc(Cl)s2)[C@@H]1c1ccc(F)cc1 587376484 PJDDREGNABCGOL-QUCCMNQESA-N 423.292 5.739 50 1 HKGF CN(C)/C=C(\C#N)[C@]1(c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587497294 ACVMYHJBTYEIBX-MMYRTMNYSA-N 406.913 5.049 50 1 HKGF Fc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2CBr)cc1 587622078 AFNWAVAVMAAIJS-UHFFFAOYSA-N 423.083 5.508 50 1 HKGF COC(=O)[C@H](C)[C@@H]1CC[C@](C)(CC[C@]2(C)[C@H](C)CC[C@]3(C)[C@@H](C)CCC[C@]32O)OO1 2356807399 WIFGSAPFSACDQM-LXJHDWHGSA-N 424.622 5.439 50 1 HKGF Cc1ncc2cc(-c3c(Cl)cccc3Cl)c(NC(=O)C(Cl)Cl)nc2n1 27407464 FAPOQCXOSATNAK-UHFFFAOYSA-N 416.095 5.049 50 1 HKGF COc1ccc(-c2nc(C(=O)N/N=C/c3ccccc3)cc3c2[nH]c2ccccc23)cc1 45258763 LEYQXDRSOGRLRT-JVWAILMASA-N 420.472 5.156 50 1 HKGF CCCCCCCCC(=O)CCSSCCC(=O)CCCCCCCC 85853483 OKJKXKGTEYGLBY-UHFFFAOYSA-N 402.710 7.787 50 1 HKGF N#Cc1ccc2[nH]cc([C@]3(CCCCl)CC(=O)c4ccc5c(c4O3)CCCC5)c2c1 587500144 YPLLQDOITDDINZ-VWLOTQADSA-N 418.924 5.798 50 1 HKGF CCCCc1ccc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587684664 LKDINAIJEONRQH-QKKBWIMNSA-N 424.785 5.947 50 1 HKGF C[C@@H]1CC[C@H]2[C@@H](CCCc3ccc(Cl)cc3)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 43380039 PVKNOCBVDQYQDN-CARSICDMSA-N 420.933 5.051 50 1 HKGF C=C(c1ccc(Oc2ccc3ccccc3c2)cc1)[C@H]1COC2(CCCCC2)OO1 64417136 GRQLUNDSSFPIGQ-RUZDIDTESA-N 402.490 6.653 50 1 HKGF C[C@@]1(c2sccc2Cl)CC(c2sccc2Cl)=C(C#N)C(=C(C#N)C#N)N1 73417823 LXQWWVHOFDJGTB-SFHVURJKSA-N 417.346 5.604 50 1 HKGF C[C@H](Cl)[Si](C)(C)C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C 195470509 KSQKUUKJBNCNPG-GAONAWHHSA-N 417.065 5.397 50 1 HKGF O=C1CC2(Oc3c1ccc1c3CCCC1)[C@H](Cl)CCCCCCCCC[C@H]2Cl 587503836 ZOLMMGPJIWGMFN-FGZHOGPDSA-N 423.424 7.009 50 1 HKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(Cc2ccccc2Cl)N1 587686340 CRMWQPIPHCELMZ-ADLMAVQZSA-N 417.149 5.453 50 1 HKGF FC(F)(F)c1cccc2c1[C@H](c1cc(CCl)cs1)NCC21CCOCC1 962963485 VZTWMCFQDMYVFB-KRWDZBQOSA-N 401.881 5.247 50 1 HKGF Fc1ccc2c(c1)C[C@H]1CCCN1[C@]2(CBr)C1(c2ccccc2)CC1 963104997 MKWAGDUVQLDYRK-KNQAVFIVSA-N 400.335 5.168 50 1 HKGF CCCCCCCCCCNC(=O)/C(C#N)=C/c1cn(CCN(C)C)c2ccccc12 1857580525 YDYLSCOVNFEPKZ-ZBJSNUHESA-N 422.617 5.367 50 1 HKGF C[C@H]1C/C(=N/NC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)CC(C)(C)C1 4865175 UCSKEKJYZDOXDJ-FSPSLNBNSA-N 420.582 5.787 50 3 HKGF C/C(=C/C/C=C\C#N)[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]2[C@H](C)CCCC(C)C)[C@@H]1CC(=O)O 13782001 LCJOGGZGFJJACV-RIFYSBLJSA-N 413.646 7.398 50 1 HKGF CC1=C([C@H]2CC[C@](C)(Cl)[C@@H](Br)C2)C[C@H](Br)C(C)(C)O1 238748596 CGXATWIPOMXJIC-NHULGOKLSA-N 414.609 5.784 50 1 HKGF O=[N+]([O-])c1ccc(F)cc1OCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587159515 QBURLWUGZJDKOT-UHFFFAOYSA-N 413.299 5.847 50 1 HKGF CN(/N=N/c1ccc2ncnc(Nc3cccc(Cl)c3)c2c1)C(=O)OCCCl 45260247 IXOOKZDXBGVSQT-OCOZRVBESA-N 419.272 5.333 50 1 HKGF COc1cc2c3c(c1)O[C@@](C)(c1cccc(S(F)(F)(F)(F)F)c1)[C@@H](C2)C3=O 587427615 KFRWRTCNQZXOBQ-KSSFIOAISA-N 406.372 6.015 50 1 HKGF N#CSC[C@@]1(c2ccccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587609376 VFTIKJZTYBXCHU-KNQAVFIVSA-N 423.877 5.117 50 1 HKGF C=C1CC[C@H](OO)CC1=CC=C1CCC[C@]2(C)[C@@H]1CC[C@@H]2[C@H](C)C=C[C@H](C)C(C)C 2356746110 UZDFTFHQIQFFDP-LACCABGBSA-N 412.658 8.138 50 1 HKGF N#C/C(C(=O)Nc1ccc(Cl)c(Cl)c1)=C(/O)c1ccc(C(F)(F)F)cc1 34493732 OQXRPKJJTPUQEE-QINSGFPZSA-N 401.171 5.444 50 1 HKGF Cc1cc(/C=C(\C#N)c2nc3ccc(O)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587053888 AUIGWWDHGMDJCM-OQLLNIDSSA-N 423.303 6.047 50 1 HKGF C[C@H](c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)c1ccccc1C(F)(F)F 587097773 KHJLFZYDEFYPDK-VIFPVBQESA-N 416.337 7.391 50 1 HKGF CCOC(=O)C(=O)[C@@H](Cl)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587358526 ROWQOPDVWNPEDJ-IBGZPJMESA-N 423.852 5.069 50 1 HKGF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@H](CBr)C3)c1 587359883 JKIJUUREMSVSBS-AWEZNQCLSA-N 422.322 6.156 50 1 HKGF Cc1ccc(C)c([C@]2([C@H](C)Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587686697 DHYBAHHJECWGAY-YRVVQQKDSA-N 410.758 5.610 50 1 HKGF CC(C)[C@@H](Br)[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587500111 QMIQGBQDWICOMT-DHIUTWEWSA-N 413.355 5.846 50 1 HKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2cccc3cc[nH]c23)N1 587683770 IASKBRCTQMPUKD-JEOXALJRSA-N 407.714 5.086 50 1 HKGF C[C@H](Cl)[C@]1(c2ccccc2)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962627677 HJNUHMZQIBSUIB-RJWMVNQGSA-N 402.969 5.304 50 1 HKGF CC(C)(C)N(NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)c1ccccc1Cl 103176788 DDPUNGNZNRSVAQ-UHFFFAOYSA-N 406.913 5.593 50 1 HKGF O=C1c2ccc(O)cc2O[C@]2(CCCCC[C@@H]2Br)[C@H]1c1ccc(F)cc1 587321774 FHQUOUVTLKGBFI-ZJOUEHCJSA-N 419.290 5.357 50 1 HKGF C[C@H](Cl)[C@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587335021 NLRYWNBDJUTHAJ-VKCVVMHYSA-N 414.835 5.552 50 1 HKGF Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1CCC(C)C 587497249 HZFYYBKZPYSAFO-RUZDIDTESA-N 413.989 6.129 50 1 HKGF COc1cc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCCCCl 587498152 MENZPUZUNGSEOE-XMMPIXPASA-N 414.929 5.462 50 1 HKGF COc1cc2occ(O)c2cc1[C@@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 587500240 ZIWPSGWJIUFGIG-QHCPKHFHSA-N 412.869 5.125 50 1 HKGF N#CSc1c(-c2ccc(Cl)cc2)nc2sc(Cc3noc4ccccc34)nn12 43013833 OEGRLPRAPBPTEV-UHFFFAOYSA-N 423.910 5.416 50 1 HKGF C[C@@H]1C(=O)C[C@H](c2ccc(Cl)cc2)N(C(=O)CCl)[C@@H]1c1ccc(Cl)cc1 169318696 VVZGLJDDTMRIBU-XSXHMXBXSA-N 410.728 5.452 50 1 HKGF COC(=O)[C@H](C)[C@@H]1CC[C@](C)(CCC=C(C)CC[C@]2(C)[C@@H](C)CCC[C@]2(C)O)OO1 2356849924 PYRDXCUKHATXIK-VOIBFUHESA-N 424.622 5.749 50 1 HKGF O=C(N/N=C/c1cccc(C(F)(F)F)c1)c1cc(-c2ccc(F)cc2F)ccc1O 221353734 YUQYIQBNJZPFSF-LUOAPIJWSA-N 420.337 5.120 50 1 HKGF CC(C)(F)[C@H](Br)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587087361 OZDHLKZBEQRPEX-OAHLLOKOSA-N 404.308 6.024 50 1 HKGF CCc1ccc(CC)c([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587689466 SQLWRKRLKRQWGJ-ASSNKEHSSA-N 424.785 5.730 50 1 HKGF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@]34C=C[C@@]5(CC(=O)CC[C@]5(C)[C@H]3CC[C@]12C)OO4 1857748158 NGBKGQSCXPSNKA-ATEUIHEISA-N 414.630 6.660 50 1 HKGF CCCCCc1cc2c(c(O)c1COO)[C@H]1C=C(COC(C)=O)CC[C@@H]1C(C)(C)O2 2356804429 IOTSKNJKGNLLKB-ICSRJNTNSA-N 418.530 5.269 50 1 HKGF CC1(C)[C@]2(Cl)[C@H](Cl)[C@]1(Cl)[C@H](Cl)[C@@H](Cl)[C@@]2(Cl)C(Cl)Cl 195294692 DVEYBSZJQZPNLT-IOUHWRGFSA-N 413.814 5.599 50 1 HKGF O=S(=O)(/C=C\c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)c1ccccc1 586925405 YZTBQZRZLWDAFU-HJWRWDBZSA-N 410.389 5.665 50 1 HKGF Cc1cc(/C=C(/C#N)c2nc3cc(N)ncc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587056359 PMNIXMPDFMPNOL-AUWJEWJLSA-N 423.307 5.319 50 1 HKGF CCCN1[C@H](C)Cc2ccccc2[C@]1(c1c[nH]c2ccccc12)[C@H](C)Br 963234607 VKYDNKGQTQYDDQ-DGGJZMOXSA-N 411.387 5.852 50 1 HKGF CO[P@](=S)(Oc1cc(Cl)c(Br)cc1Cl)c1ccccc1 2016133 CVRALZAYCYJELZ-IBGZPJMESA-N 412.072 5.416 50 1 HKGF in-man CC1(C)[C@]2(Cl)[C@H](Cl)[C@]1(Cl)[C@@H](Cl)[C@@H](Cl)[C@@]2(Cl)C(Cl)Cl 195294685 DVEYBSZJQZPNLT-WVBYJIFXSA-N 413.814 5.599 50 1 HKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1cccc(Cl)c1 587544459 NWEZACQVHCDEDU-RXVVDRJESA-N 401.245 5.142 50 1 HKGF CC(C)CC=C[C@H](C)[C@@H]1CC[C@@H]2[C@@]34C=C[C@@]5(C[C@H](O)CC[C@@]5(C)C3=CC[C@]12C)OO4 2356657365 CAUMZAZCOGASOU-MMIHEUQKSA-N 412.614 6.148 50 1 HKGF COc1ccc(-c2cc(NC(=O)C(Cl)Cl)cc(-c3ccc(OC)cc3)c2)cc1 95561774 VHFXMGLNLKELBQ-UHFFFAOYSA-N 416.304 5.780 50 1 HKGF Cc1ccc(C2=C[C@@H](c3c(-c4ccccc4)[nH]c4ccccc34)C(C#N)=C(N)O2)cc1 95603918 UFZVFRMRGRMBJR-OAQYLSRUSA-N 403.485 5.992 50 1 HKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(C(C)(C)C)cc2)N1 587689074 PLAFNYZAOFJSRC-LRTDBIEQSA-N 424.785 5.902 50 1 HKGF C=C(C(=O)O)[C@@H]1CC[C@H](CCC=C(C)CCC=C(C)CC=CC(C)(C)OO)CO1 2356789680 DOXZCSYWEXVJJR-VXKWHMMOSA-N 406.563 6.090 50 1 HKGF C/C(=N\NC(=O)c1ccc(-n2c(C)ccc2C)cc1)c1ccc(-n2c(C)ccc2C)cc1 103238031 HFXCGBLXQFQJSH-XAYXJRQQSA-N 424.548 5.656 50 1 HKGF CCCCC[C@@H](Cl)[C@@H](Cl)C[C@@H](Cl)[C@@H](Cl)CCCCCCCC(=O)O 231930262 FRSRMUYUIAXUAX-LTIDMASMSA-N 422.264 7.202 50 1 HKGF CCCc1c(O)ccc2c1O[C@@](c1ccc(C)cc1)([C@H](C)Br)CC2=O 587456272 LXAMSDLVPYAOMN-LHSJRXKWSA-N 403.316 5.297 50 1 HKGF Cc1ccc([C@]2([C@@H](C)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C 587688403 MFXAUYJCXCINTG-JZKQVHKSSA-N 410.758 5.610 50 1 HKGF CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@H](Br)C(C)C)CC2=O 587454611 ZCGIZYXTPLPSLC-FGZHOGPDSA-N 417.343 5.625 50 1 HKGF O=C1C[C@H](c2cccc(S(F)(F)(F)(F)F)c2)Oc2c1ccc1c2CCCC1 587503446 FMJAOTORSBQCEZ-GOSISDBHSA-N 404.400 6.929 50 1 HKGF C=C(C)[C@H](CCC(C)=CCOc1c2occc2c(OC)c2ccc(=O)oc12)OO 2356445839 QQMDGBRVBLDRAM-KRWDZBQOSA-N 400.427 5.087 50 1 HKGF C=CC[C@H](C[C@H](C[C@H](C[C@@H](OC)C(=C)C=C(C)CC=C(C)C#N)OC)OC)OC 2356794714 IBWHSOUJBPQKSP-MOUTVQLLSA-N 405.579 5.155 50 1 HKGF c1ccc([P+](Cc2cccc3cccnc23)(c2ccccc2)c2ccccc2)cc1 195447500 ZDPQBKLVLGAAPM-UHFFFAOYSA-N 404.473 5.729 50 1 HKGF Cc1ccc(/C(=N\NC(=O)c2ccccc2Oc2ccccc2)c2ccccc2)s1 202989833 LRBFCEPVEFKIJQ-LCUIJRPUSA-N 412.514 6.031 50 1 HKGF CC1(C)CC(=O)Nc2ccc([C@@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)cc21 587499605 WEOHYPUSPSFKNX-VWLOTQADSA-N 423.940 5.285 50 1 HKGF Cc1ccc(C)c([C@]2([C@H](C)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587686692 DHYBAHHJECWGAY-CKNLXJGOSA-N 410.758 5.610 50 1 HKGF Cc1cc(/C=C/C#N)cc(Oc2cc(Nc3ncnc(C4CC4)n3)ccc2Cl)c1 1857619040 MCYUDKOFEMYPDV-NSCUHMNNSA-N 403.873 5.784 50 1 HKGF O=c1cc(-c2ccc(Cl)cc2)oc2cc(OCCCCBr)ccc12 66098382 VDACGZOXGRARFR-UHFFFAOYSA-N 407.691 5.667 50 1 HKGF CCc1ccc([C@H]2C(C#N)=C(C)N=C3C[C@@H](c4ccc(Cl)cc4)CC(O)=C32)cc1 103521249 KEDNMKQIZPUPFQ-DVECYGJZSA-N 402.925 6.628 50 1 HKGF COC(=O)[C@@H](C)[C@@H]1CC[C@](C)(CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)OO1 238755562 LCYOYORSUQYOEM-UROWAHFNSA-N 406.607 6.864 50 1 HKGF CN(C)/C=C(\C#N)[C@]1(c2ccccc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587507428 QMTSZQWPTGCQQB-BRGVFWSASA-N 406.913 5.049 50 1 HKGF CCCCc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587547250 ZMBXXDBPMXQESQ-RDGATRHJSA-N 422.908 5.831 50 1 HKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCCCCl)cc2)N1 587682955 FEKHDTWGTRWIDK-BUXKBTBVSA-N 412.730 5.220 50 1 HKGF N#CC1=C(N)Oc2c(ccc3ccccc23)[C@@H]1c1ccc(S(F)(F)(F)(F)F)cc1 1857589852 CISUNEDRLUOYCJ-SFHVURJKSA-N 424.394 6.715 50 1 HKGF CC=CC=CCCCCCCCCCCC[C@@]1(OC)C=C[C@@H](CC(=O)OC)OO1 2356802227 RYYYFHGENGEKBQ-UPVQGACJSA-N 408.579 6.202 50 1 HKGF CCO[P@](=O)(c1ccccc1)c1ccc2oc(-c3ccc4ccccc4c3)nc2c1 59096831 AJLKGZBFPVUBFN-SSEXGKCCSA-N 413.413 5.913 50 1 HKGF O=C1C[C@@](CBr)(c2cc3ccccc3o2)Oc2c1ccc1c2CCCC1 587501825 YUBVHGIPQOJLOV-JOCHJYFZSA-N 411.295 5.567 50 1 HKGF Cc1cc(C)c(C)c([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587543188 JVMPVIDBYAXJLD-RDGATRHJSA-N 422.908 5.722 50 1 HKGF CC(C=CC=O)=CC=CC=C(C)C=CC=C(C)C(=O)C[C@]12O[C@@]1(C)C[C@@H](O)CC2(C)C 2356568214 HQQUWEPSOVTLND-MSLLRLGPSA-N 424.581 5.361 50 1 HKGF CC1=C([C@H]2CC[C@](C)(Cl)[C@@H](Br)C2)C[C@@H](Br)C(C)(C)O1 49881944 CGXATWIPOMXJIC-QJZXMWHDSA-N 414.609 5.784 50 1 HKGF C[C@@H]1CC[C@H]2[C@@H](CCCc3ccc(Cl)cc3)C(=O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 101270016 PVKNOCBVDQYQDN-ITNUIEBSSA-N 420.933 5.051 50 1 HKGF C=C(C)[C@H](Cl)C[C@H](Br)[C@@](C)(Cl)[C@H](Cl)CBr 238762716 GFMHUHADGDNPQD-UTINFBMNSA-N 401.397 5.323 50 1 HKGF CCCc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587324812 ADKCIHVFUJNZDH-NOZRDPDXSA-N 424.899 5.977 50 1 HKGF Cn1cc([C@]2(CBr)NCCc3c(Cl)cc(Cl)cc32)c2ccccc21 963102788 FPOHWDFKESQQNS-LJQANCHMSA-N 424.169 5.269 50 1 HKGF C/C(=N\NC(=O)CCc1ccc(C(C)(C)C)cc1)c1ccc(C2CCCCC2)cc1 1857755156 PLGAYXVQLALWQR-VFCFBJKWSA-N 404.598 6.505 50 1 HKGF C[C@H](CCCCCCCCCc1ccccc1)C[C@]1(C)C[C@@H](C)[C@@H](CC(=O)O)OO1 2356483244 GMTBZACDABXTKT-HLMLHLEXSA-N 418.618 6.966 50 1 HKGF CC(=O)CCCC(C)(C)C(=O)C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=O 2356706854 VJDIRPCMDCBBTO-UHFFFAOYSA-N 408.582 6.604 50 1 HKGF C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](OCCCBr)CC[C@]34C)[C@@H]1CCC2=O 34517896 LQWNKPUSWLHJNE-JCNKSZRGSA-N 411.424 5.768 50 1 HKGF C[C@H](CCCC/C=C/CC/C=C\c1ccccc1)C[C@]1(C)C[C@@](C)(CC(=O)O)OO1 49867123 CRORVGKIBBBYNQ-QIJDUYRMSA-N 414.586 6.967 50 1 HKGF C#CCCCCCCC/C=C/C#CCCC[C@]1(OC)CC[C@@H](CC(=O)OC)OO1 139442290 FWBUUZZBAIZTSB-SDALGCQOSA-N 404.547 5.097 50 1 HKGF C[C@H](Cl)[C@]1(c2ccc3c(c2)CCC3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587541960 DYVJACGWWKZKGA-UNGHYCQRSA-N 420.892 5.365 50 1 HKGF C=C(C(=O)O)[C@H]1CC[C@@H](CCC=C(C)CCC=C(C)CC=CC(C)(C)OO)CO1 2356789679 DOXZCSYWEXVJJR-FGZHOGPDSA-N 406.563 6.090 50 1 HKGF ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@H](Cl)[C@@H](Cl)C[C@H]3[C@@]1(Cl)C2(Cl)Cl 64624437 BIWJNBZANLAXMG-OESJLNMISA-N 409.782 5.683 50 1 HKGF in-vitro CC1=C(CC/C(C)=C\CC/C(C=O)=C\C[C@@H](O)C2=CC(=O)OC2)C(C)(C)CCC1 238765540 CVXAFDSSBXFDSR-KGNLUOOPSA-N 400.559 5.379 50 1 HKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c(C)c1C 587689549 UGDXNVURUOWQAP-XUSGNXJCSA-N 424.785 5.838 50 1 HKGF Cc1ccc(C)c([C@]2([C@@H](C)Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587689880 XNQVQLUYOGORHR-MNVSYLFESA-N 410.758 5.610 50 1 HKGF COc1ccc2c(c1)[C@@](CCCCCl)(c1ccnc(Cl)c1)N(C(C)C)CC2 962093796 PZYTYFULAFGEHJ-JOCHJYFZSA-N 407.385 5.663 50 1 HKGF C[C@]1([C@H](Cl)c2ccc(F)cc2)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962631274 DMWYKMVSJNLUHE-LGPLSSKUSA-N 420.959 5.768 50 1 HKGF C=C(C[C@H](C)C1=CCC[C@@H]2CCC3=CC(=O)CC[C@]3(C)[C@@H]2CC[C@@]1(C)OO)C(C)C 2356802563 SKEROCLLSJUTTC-CKZDJUTGSA-N 414.630 7.295 50 1 HKGF C=C1C[C@@H](O)[C@@H](Br)C(C)(C)[C@]12CC[C@](C)(Cl)[C@H](Br)C2 6004301 KKDUTGUFMQDATD-FPVZYODXSA-N 414.609 5.028 50 1 HKGF C[C@]12C[C@H](CCCCBr)[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O 13605876 IYBLGKCVLOLRMB-USUWBSJTSA-N 407.392 5.401 50 1 HKGF O=C(O)C[C@@H]1CC[C@@H]([C@@H]2CC[C@@H](CCCCCC[C@H]3C=CC=CC=CC3)O2)OO1 102001368 DIHXQPVNIPQBLK-SPHOGXRMSA-N 404.547 5.517 50 1 HKGF COc1cc2c3c(c1)O[C@@](CCl)(c1ccc4c(c1)-c1ccccc1C4)[C@@H](C2)C3=O 587416595 BMDOEHIXOMCKBJ-OFVILXPXSA-N 402.877 5.148 50 1 HKGF O=C1C[C@@H](c2ccc(N(CCCl)CCCl)cc2)Oc2c1ccc1c2CCCC1 587498951 REXUPKOIBLDAJU-QFIPXVFZSA-N 418.364 5.556 50 1 HKGF CC(C)c1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587542241 GKFMQUNOTLGMHX-QPPBQGQZSA-N 408.881 5.612 50 1 HKGF COc1ccc(S(F)(F)(F)(F)F)cc1[C@H]1NCCc2c(C(=O)O)cccc21 963127182 ZMRAIQSSEKWNLS-INIZCTEOSA-N 409.376 5.286 50 1 HKGF C=C(C=O)CC(=O)C/C(C)=C/CC/C(C)=C/CCC(/C=C/OC(C)=O)=C\OC(C)=O 13339015 YUQNPKXGOPEQOH-UBTYXZGTSA-N 416.514 5.068 50 1 HKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(CC)cc1)CC2=O 587455891 HKBNDZHKFKMSKN-OAQYLSRUSA-N 403.316 5.163 50 1 HKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCCCl)c1cccs1 587615927 YDJQVWWEKNIURK-GHTZIAJQSA-N 400.883 5.330 50 1 HKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc3nc(CCl)oc23)N1 587683330 GNPRJTRRXKUCMA-DGIBIBHMSA-N 423.713 5.266 50 1 HKGF CC(=O)O[C@]1(C)[C@H]2CC=C(C=O)[C@H]1[C@](C)([C@@H](C)CCC=C(C)C)[C@@H](C(C)=O)CC2 2356632205 HPSPFNDWQCDWLW-AEPXPHGDSA-N 402.575 5.457 50 1 HKGF CCCCNc1nc(SC)nc2c1cnn2C[C@@H](Cl)c1ccc(Cl)cc1 40913999 PHGQUQJRZPOAPX-OAHLLOKOSA-N 410.374 5.394 50 1 HKGF COC(=O)C[C@@]1(C)C[C@@](C)(C[C@@H](C)CC/C=C/CC/C=C/c2ccccc2)OO1 42875587 GHRPFHNYOPGKTO-HCUIHECHSA-N 400.559 6.275 50 1 HKGF N#C[C@H](/C=N/c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1)C(=O)CCl 169690438 AMPZSGQOUICLFU-DWVYGJJXSA-N 416.186 5.196 50 1 HKGF C[C@H](c1ccc(CBr)cc1)c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 586972953 DBOIJHMBZDDQER-SNVBAGLBSA-N 408.221 5.500 50 1 HKGF Cc1ccc(/C=C(\C#N)c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc1 587187094 BVRLBTIVPKFVTP-WUXMJOGZSA-N 406.205 5.717 50 1 HKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCCCCl)cc1 587544126 MPMADWDCRYVVAL-REWPJTCUSA-N 410.853 5.103 50 1 HKGF C[C@H](Cl)[C@@]1(c2ccc3c(c2)CCC3)N[C@H](C)Cc2cc(Br)c(F)cc21 587686698 DIZPMUULIVOQPZ-BHVCSQLQSA-N 422.769 5.482 50 1 HKGF CSc1ccc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587846290 QAJQQGDGOWKFQU-VOJFVSQTSA-N 414.771 5.327 50 1 HKGF O=C(NNc1ncnc2sc3c(c12)CCCC3)Nc1c(Cl)cccc1Cl 1857772296 SBWUUZSHVJKHIG-UHFFFAOYSA-N 408.314 5.026 50 1 HKGF C[C@H](CCCCCC/C=C/c1ccccc1)C[C@@]1(C)CC[C@](O)(CC(=O)O)OO1 49775433 FQNCIZGCBWUVSG-NNIFIGEISA-N 404.547 5.731 50 1 HKGF Cc1cc(Br)cc2nc([C@@H](C)c3ccc(CBr)cc3)[nH]c12 586972726 AKEBFQHDIVDPPE-NSHDSACASA-N 408.137 5.681 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1c(C)cc(C)c(C(=O)CCl)c1C)O2 587371952 IMGWAMXSNVSDJI-QFIPXVFZSA-N 420.336 5.023 50 1 HKGF CCCc1c(O)ccc2c1O[C@@](C)([C@H](Br)Cc1ccccc1F)CC2=O 587466343 KHUVGHXCYMTJLQ-TZIWHRDSSA-N 421.306 5.214 50 1 HKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2c[nH]c3ccccc23)([C@@H](C)Cl)N1 587686945 DORLUAGOJAKJOG-HTGLOVNISA-N 421.741 5.475 50 1 HKGF C[C@H](CCCCCC/C=C\c1ccccc1)C[C@@]1(C)C[C@@H](C)[C@](O)(CC(=O)O)OO1 238755101 XKAQLEUZKCCIDB-MPFUWCAPSA-N 418.574 5.977 50 1 HKGF C=C1C(CCl)(CCl)[C@@]2(Cl)[C@@H](Cl)[C@H](Cl)[C@@]1(Cl)C2(Cl)Cl 256446306 OEJNXTAZZBRGDN-ITFKJWCVSA-N 411.798 5.378 50 1 HKGF in-vitro C[C@H](Br)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 587007578 APEIPQJUTCCDEV-VIFPVBQESA-N 412.209 5.290 50 1 HKGF Cc1cc(F)c([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1F 587718784 JPRGRNPBKWFPQH-MGNBDDOMSA-N 418.684 5.191 50 1 HKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(SC)cc1)CC2=O 587492431 PCSXVGPQXVABLP-HXUWFJFHSA-N 421.356 5.322 50 1 HKGF Cc1ccc(C)c([C@]2([C@@H](C)Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587544554 OJFVSHIRCVEDEF-WONHAXNMSA-N 408.881 5.493 50 1 HKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(C(C)(C)C)cc2)N1 587689076 PLAFNYZAOFJSRC-ZSEKCTLFSA-N 424.785 5.902 50 1 HKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCCl)(c2ccccc2F)N1 587729403 VBRKVFNTTBDVGX-BBATYDOGSA-N 400.694 5.134 50 1 HKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2csc3ccccc23)N1 587854558 CVGCJBVCRKGZKD-WLRWDXFRSA-N 424.766 5.820 50 1 HKGF COC(=O)c1cc2nc(/C(C#N)=C\c3ccccc3)[nH]c2c(F)c1Nc1ccccc1 587188665 UMSHBGLPQLXWOV-VBKFSLOCSA-N 412.424 5.296 50 1 HKGF N#Cc1ccc2c(C(=O)c3ccc(Oc4ccc(C(=O)Cl)cc4)cc3)coc2c1 587278833 VLHMAQNGBLYQQU-UHFFFAOYSA-N 401.805 5.707 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCCCl)(c1ccc(Br)cc1)O2 587370305 DXVHPUTXJBUPKD-LJQANCHMSA-N 408.723 5.219 50 1 HKGF CCCCCCc1ccc([C@@]2([C@H](C)Cl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587418674 UXPJSXSFTXBCGZ-XUMWYHAOSA-N 412.957 6.088 50 1 HKGF CCCCc1ccc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587685384 PUBVRLMDLMMDKS-LHSJRXKWSA-N 424.785 5.947 50 1 HKGF C[C@H](Cl)[C@@]1(c2ccccc2)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962627673 HJNUHMZQIBSUIB-OCDQVXHZSA-N 402.969 5.304 50 1 HKGF CCCc1ccc([C@]2(CBr)NCCc3cc(-c4ccccc4)ccc32)cc1 962659138 DWPQFKJAYOZDNH-VWLOTQADSA-N 420.394 6.090 50 1 HKGF C[C@H](CCCCCCC=Cc1ccccc1)C[C@@]1(C)CC[C@](O)(CC(=O)O)OO1 2356332527 FQNCIZGCBWUVSG-AGILITTLSA-N 404.547 5.731 50 1 HKGF C=CCCCCCCCC=CC#CCCC[C@]1(OC)CC[C@H](CC(=O)OC)OO1 2356632455 CBSYJKYAPRBDHQ-ISKFKSNPSA-N 406.563 5.649 50 1 HKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1coc3ccccc13)CC2=O 587456089 KMDFXIZGUJFPGG-OAQYLSRUSA-N 415.283 5.347 50 1 HKGF O=C1C[C@](CCl)(c2ccc(Br)c(F)c2)Oc2c1ccc1c2CCCC1 587505390 MPVZORGTAMRBMA-FQEVSTJZSA-N 423.709 5.567 50 1 HKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1C1CC1 587545714 SGKFKTBTRJSMKC-URXFXBBRSA-N 423.896 5.241 50 1 HKGF CC[C@H](C)c1ccc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587687367 GHKAGVUFEPAMAF-DGCWBMGLSA-N 424.785 6.118 50 1 HKGF CN(C)c1ccc(C(C=C2c3ccccc3Sc3ccccc32)=C(C#N)C#N)cc1 1620391 OQUZBDCNUWNKQE-UHFFFAOYSA-N 405.526 6.150 50 1 HKGF Cc1cc2c(cc1NC(=O)CCCC[C@@H]1CCSS1)C(C)(C)CCC2(C)C 84705406 VDECWHLGSARYFM-QGZVFWFLSA-N 405.673 6.997 50 1 HKGF COC(=O)[C@@H](C)[C@@H]1CC[C@](C)(CC[C@H]2C(C)=CC[C@@H]3C(C)(C)CCC[C@@]23C)OO1 238733379 YPMAJMYXHUTKSJ-RJBKZOIGSA-N 406.607 6.244 50 1 HKGF CC1(C)[C@H]2CC[C@]3(C)O[C@@H](CCl)[C@@](C)(O)CC[C@H]3[C@]2(C)CC[C@H]1Br 238760670 ZHHBAIGVXXOKRJ-XDKCKUNGSA-N 421.847 5.530 50 1 HKGF C[C@]1(c2cc(CCl)cs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587377655 SKUNJAYKOIAQRP-PZJWPPBQSA-N 402.874 5.606 50 1 HKGF O=C1C[C@@](CCBr)(c2ccc(F)cc2)Oc2c1ccc1c2CCCC1 587502948 JDBSRDOSAJUZHR-NRFANRHFSA-N 403.291 5.350 50 1 HKGF C[C@H](Cl)[C@@]1(c2ccc3c(c2)CCC3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587541961 DYVJACGWWKZKGA-YBJNYKISSA-N 420.892 5.365 50 1 HKGF FC(F)(F)c1cc(C(F)(F)F)c2c(-n3nnc4ccccc43)c(CCl)[nH]c2c1 587626953 YKLSAAWAMKTEKJ-UHFFFAOYSA-N 418.728 5.678 50 1 HKGF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@@]2(CCl)Cc1ccc(Br)cc1 963096519 DWIVRBUTENPYQU-AZUAARDMSA-N 408.742 5.286 50 1 HKGF Cc1ccc(C2=C[C@@H](c3c(-c4ccccc4)[nH]c4ccc(C)cc34)C(C#N)=C(N)O2)cc1 95603582 COZHZCZMHXHUCG-OAQYLSRUSA-N 417.512 6.301 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)n(CCc3ccccc3)c1C)O2 587372348 KONFLGAFLVILOU-VWLOTQADSA-N 422.956 5.338 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1cc(Cl)ccc1Cl)O2 587374218 OSDGETRXSPIYPF-KRWDZBQOSA-N 415.114 5.140 50 1 HKGF CCn1c(C)cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587686611 DEVXOKLZDWYZLO-JEOXALJRSA-N 413.762 5.043 50 1 HKGF Cc1ccc([C@]2([C@H](C)Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C 587689239 RBPRLDANZBDYPL-YRVVQQKDSA-N 410.758 5.610 50 1 HKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2F)([C@@H](C)Cl)N1 587723705 BWDHVUMZTIWAKF-MHNGPXOMSA-N 418.684 5.272 50 1 HKGF Cc1cc(Nc2ccc(S(F)(F)(F)(F)F)cc2)n2cc(C(C)(F)F)nc2n1 1772590644 PHQAKXDDVXVLGX-UHFFFAOYSA-N 414.350 6.550 50 1 HKGF COC(=O)[C@H](C)[C@@H]1CC[C@@](C)(CCC=C(C)CCC2=C(C)CCCC2(C)C)OO1 2356455864 KGRANTXTMXDAIF-JLRUASKGSA-N 406.607 6.698 50 1 HKGF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3cc(S(F)(F)(F)(F)F)ccc3[nH]2)cc1 587787402 VIDQITZHVPVWQN-KGLIPLIRSA-N 418.387 6.164 50 1 HKGF COc1ccc([C@H]2C(C#N)=C(C)N=C3C[C@H](c4ccc(Cl)cc4)CC(O)=C32)cc1 104696176 NKDSVLPODHYHIO-SBUREZEXSA-N 404.897 6.074 50 1 HKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2c[nH]c3ccccc23)([C@@H](C)Cl)N1 587689827 WUNFZMXQENWJKC-HTGLOVNISA-N 421.741 5.475 50 1 HKGF COC(=O)[C@H](C)[C@@H]1CC[C@@](C)(CCCC(C)=CC[C@@H]2C(C)=CCCC2(C)C)OO1 2356439172 GTRMWSMRZUVWBH-ILSIFQBBSA-N 406.607 6.554 50 1 HKGF O=C(N/N=C/c1ccc(Cl)cc1)c1cccnc1Nc1cccc(C(F)(F)F)c1 98082284 XLLOYOSSEULYGG-RPPGKUMJSA-N 418.806 5.261 50 1 HKGF CCCCCCc1ccc([C@]2([C@H](C)Cl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587418673 UXPJSXSFTXBCGZ-LMNXFLSBSA-N 412.957 6.088 50 1 HKGF C[C@H](Cl)[C@@]1(c2ccc(F)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587567623 IGGBHBCYVBSAOC-BZGUAGMMSA-N 416.807 5.155 50 1 HKGF Cc1cc(C)c(C)c([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587687436 GTTUYQSULBAXGY-LRTDBIEQSA-N 424.785 5.838 50 1 HKGF COc1cccc2c3c(cnc12)CCN[C@@]31CCCCCCCCCC[C@H]1Cl 963046886 LKOMWXXRJXSFGX-ZJSXRUAMSA-N 400.994 6.106 50 1 HKGF C=C1CCCC(C)(C)[C@]1(O)CCC(C)=CCC[C@]1(C)CC[C@@H]([C@H](C)C(=O)O)OO1 2356336882 RJSBLBVYBHFZDR-JVODISISSA-N 408.579 5.581 50 1 HKGF C[C@@H](CCCCCCCCc1ccccc1)C[C@@]1(C)CC[C@](O)(CC(=O)O)OO1 49775491 XVXOFYJABBXDNN-TUACAJSNSA-N 406.563 5.650 50 1 HKGF C/C(=C\CC[C@]1(C)CC[C@@H]([C@@H](C)C(=O)O)OO1)CC[C@@]12O[C@]1(C)CCCC2(C)C 96911632 ZJDQUUJWNSJRQH-WNDYXCKXSA-N 408.579 5.821 50 1 HKGF CC(/C=C\C=O)=C/C=C/C=C(C)/C=C/C=C(C)\C=C\[C@]12O[C@]1(C)C[C@@H](O)CC2(C)C 100782889 QZOYIQGWDBXSHB-LODSDPAFSA-N 408.582 5.958 50 1 HKGF endogenous,in-man C=C(c1ccc2ccccc2c1)C1CCC2(CC1)CO[C@@H](Nc1ccccc1)OO2 64454111 VBHDWOCQTAQRMO-XXBILOIISA-N 401.506 6.156 50 1 HKGF O=C(N/N=C/c1ccc2ccccc2c1)c1cc(-c2ccc(F)cc2F)ccc1O 221338191 JVJADQOGILXFFI-MZJWZYIUSA-N 402.400 5.255 50 1 HKGF C[C@]1(c2cccc3nc(CCl)oc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587545851 PUBOAIAPZWZXFA-AUSIDOKSSA-N 421.836 5.149 50 1 HKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCCCl)(c2cccs2)N1 587847944 NBARXYXHIDXJDQ-GTNSWQLSSA-N 402.760 5.447 50 1 HKGF CC(C)=CC(=O)OC[C@]12CC[C@H](C)[C@](C)(CC[C@@H](C)CC(=O)O)[C@H]1CCC=C2C=O 13402996 QCBBYPFNMFFJJJ-PROVFDEWSA-N 418.574 5.345 50 1 HKGF biogenic CCCc1c(O)ccc2c1O[C@@](CCCCl)(c1c[nH]c3ccc(C#N)cc13)CC2=O 587461218 REISIXKCRMJLSS-XMMPIXPASA-N 422.912 5.577 50 1 HKGF Cc1cc(-n2c(C)cc([C@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)c2C)no1 587497762 KTJBTJOFLALRPU-XMMPIXPASA-N 424.928 5.369 50 1 HKGF Cc1ccc(C)c([C@]2([C@@H](C)Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587686696 DHYBAHHJECWGAY-MNVSYLFESA-N 410.758 5.610 50 1 HKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCCCl)(c2ccc(F)cc2)N1 587729020 GIHGGDNNYBTLJT-CWTRNNRKSA-N 414.721 5.524 50 1 HKGF COC(=O)[C@H](C)[C@@H]1CC[C@](C)([C@@H]2C[C@H]3C(C)(C)[C@@H]4CCC(C)=C[C@@H]4C[C@]3(C)O2)OO1 2356519804 PNOATZDSQDNWLZ-NRCDOTNPSA-N 420.590 5.231 50 1 HKGF CC(C=CC=O)=CC=CC=C(C)C=CC=C(C)C=C[C@]1(O)C(C)(C)CCC[C@@]1(C)O 2356558689 IZEAIVHGGJUWLL-SXOMAYOGSA-N 410.598 5.941 50 1 HKGF C=C(C(=O)O)[C@H]1CC[C@H](CCC=C(C)CCC=C(C)CC=CC(C)(C)OO)CO1 2356789678 DOXZCSYWEXVJJR-FCHUYYIVSA-N 406.563 6.090 50 1 HKGF CC(C)=CCC/C(C=O)=C/CC/C(C)=C/CC[C@@]1(C)C=Cc2cc(O)cc(C)c2O1 141293455 PFYWXIXLDAWXHZ-CNPQYLJISA-N 408.582 7.243 50 1 HKGF N#CC1=C(N)[C@]2(C(=O)Nc3ccccc32)[C@@H](c2cccc3ccccc23)[C@@H]2CCCC=C12 169348693 LEWUCGHAXXQMLV-AHCMPFEKSA-N 417.512 5.290 50 1 HKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(SC)cc1)CC2=O 587492426 PCSXVGPQXVABLP-FQEVSTJZSA-N 421.356 5.322 50 1 HKGF O=C(CCC12C[C@@H]3C[C@H](C1)CC(C1CCCC1)(C3)C2)N/N=C/c1ccc([N+](=O)[O-])o1 653887852 YAUWXSHZDLVSBN-RLMIWOPVSA-N 413.518 5.195 50 1 HKGF COC(=O)C[C@@H]1CC[C@](CCCC#CC=CCCCCCCCC(C)=O)(OC)OO1 2356842574 MVVBVWGLTALOPD-LADGPHEKSA-N 422.562 5.052 50 1 HKGF C=C(CCC1=C(C)CCCC1(C)C)[C@H](O)CC[C@]1(C)CC[C@@H]([C@@H](C)C(=O)O)OO1 238764872 NDKHPMJGCFZKDC-ZGDJDIHISA-N 408.579 5.581 50 1 HKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCCCl)(c2ccc(F)cc2)N1 587735140 WKXWZMKNHBSYCO-BUXKBTBVSA-N 414.721 5.524 50 1 HKGF C[C@H](CCCCCCC=Cc1ccccc1)C[C@]1(C)CC[C@@](O)(CC(=O)O)OO1 2356332533 FQNCIZGCBWUVSG-QDSKXPNFSA-N 404.547 5.731 50 1 HKGF CC(=CCC[C@]1(C)CC[C@H]([C@H](C)C(=O)O)OO1)CC[C@]12O[C@]1(C)CCCC2(C)C 2356582849 ZJDQUUJWNSJRQH-LWONMZQZSA-N 408.579 5.821 50 1 HKGF Cc1ccc(Cl)c(Nc2ccccc2C(=O)NNCc2ccccc2)c1Cl 13438051 RBGFKEUJCNZJPL-UHFFFAOYSA-N 400.309 5.480 50 1 HKGF CC(C)=CCC/C(C=O)=C\CC/C(C)=C/CC[C@@]1(C)C=Cc2cc(O)cc(C)c2O1 238787824 PFYWXIXLDAWXHZ-QGHWUKNMSA-N 408.582 7.243 50 1 HKGF C[C@H](c1ccc(CBr)cc1)c1nc2cc(Br)cc(F)c2[nH]1 586973684 NAFZUSMGGBLTKI-SECBINFHSA-N 412.100 5.511 50 1 HKGF CC(C)(F)[C@@H](Br)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587087356 OZDHLKZBEQRPEX-HNNXBMFYSA-N 404.308 6.024 50 1 HKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCCl)(c2ccccc2F)N1 587729404 VBRKVFNTTBDVGX-VOJFVSQTSA-N 400.694 5.134 50 1 HKGF CCc1ccc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)s1 587850081 XANPQLXECFYNKK-QGHHPUGFSA-N 402.760 5.229 50 1 HKGF COc1ccc2c(c1)[C@](CCCCCCl)(c1ccc(Cl)nc1)N[C@@H]1CC[C@H]21 962998901 WXLBTHBDEPAMAZ-UZKOGDIHSA-N 405.369 5.636 50 1 HKGF O=C(NNc1ccnc2cc(Cl)ccc12)c1ccccc1/N=C/c1cccs1 1772615915 DGOLQNNJHDPCEY-ZMOGYAJESA-N 406.898 5.457 50 1 HKGF COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@H](c2ccc4ccccc4c2)C3)cc1 64549172 KUDKUSIIILYPDS-CPJSRVTESA-N 422.484 5.057 50 1 HKGF O=C(Oc1ccccc1)c1cccc(NP(=O)(c2ccccc2)c2ccccc2)c1 68600759 IKAQTKBUVNNLGF-UHFFFAOYSA-N 413.413 5.247 50 1 HKGF biogenic O=C(O)C[C@@H]1CC[C@@H]([C@H]2CC[C@H](CCCCCC[C@@H]3/C=C/C=CC=CC3)O2)OO1 169328631 DIHXQPVNIPQBLK-NGUDIDNNSA-N 404.547 5.517 50 1 HKGF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(C)c1oc2ccccc2c1NC(=O)CCl 963242977 QVAZIISAFPRCFL-FYSMJZIKSA-N 410.945 5.530 50 1 HKGF COC(=O)[C@H](C)[C@@H]1CC[C@](C)([C@@H]2C[C@H]3C(C)(C)[C@H]4CCC(C)=C[C@H]4C[C@]3(C)O2)OO1 2356519803 PNOATZDSQDNWLZ-MNXZPURBSA-N 420.590 5.231 50 1 HKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCCl)(c2ccccc2F)N1 587729406 VBRKVFNTTBDVGX-ZMZPIMSZSA-N 400.694 5.134 50 1 HKGF COc1ccc([C@H](O)[C@H](C)c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 587938374 VVGLRBKWOBQUIV-MGPLVRAMSA-N 408.392 6.066 50 1 HKGF Cl[C@H]1[C@@H](c2c[nH]c3ccccc23)c2[nH]c3ccccc3c2[C@@H]1c1c[nH]c2ccccc12 653788041 SEESSSRPRSWLAA-SKBVVQJISA-N 421.931 7.015 50 1 HKGF C=CCCC=CC=CCCCCCC[C@@H]1CC[C@H]([C@H]2CC[C@H](CC(=O)O)OO2)O1 2356490204 AAJUINQOJSADQB-SSGKUCQKSA-N 406.563 5.907 50 1 HKGF C[C@@H]1C[C@H](O)[C@H](Br)C(C)(C)[C@]12CC[C@](C)(Cl)[C@H](Br)C2 2356575933 IDWIUXHNQBVESY-PWCLGXPMSA-N 416.625 5.108 50 1 HKGF CC(=O)OC=CC(=COC(C)=O)CCC=C(C)CCC=C(C=O)CCC=C(C)C 2356742215 BRIZUHSPVOWINR-UHFFFAOYSA-N 402.531 5.889 50 1 HKGF CCc1c(C(=O)[C@H](C)O)c2n3c1CCC[C@@H]3C[C@@H]2O[Si](C(C)C)(C(C)C)C(C)C 197280767 XHTFFIIFCOIHBF-UEXGIBASSA-N 419.682 6.128 50 3 HKGF C=C[C@](Br)(CBr)CC[C@H](Br)C(C)(C)Cl 1637279 BIJRAENMNMOHHB-WCBMZHEXSA-N 411.403 5.262 50 1 HKGF Cc1cc(/C=C(/C#N)c2nc3ccc(O)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587053880 AUIGWWDHGMDJCM-DHDCSXOGSA-N 423.303 6.047 50 1 HKGF CC(C)c1ccc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C(C)C)c1 587499577 VYEHIUFOODGQHG-SANMLTNESA-N 410.985 6.912 50 1 HKGF O=C1C[C@@](CCl)(c2ccc(Oc3ccccc3)cc2)Oc2c1ccc1c2CCCC1 587499991 XDRLCHOQBYOGDY-AREMUKBSSA-N 418.920 6.457 50 1 HKGF Cc1cc([C@@]2(CCCCl)c3cccc(F)c3CCN2[C@H]2CCSC2)ccc1F 962693789 DGGQKHZBMBUAJO-MBSDFSHPSA-N 421.984 5.899 50 1 HKGF C[C@@H]1C[C@H](O)[C@H](Br)C(C)(C)[C@]12CC[C@](C)(Cl)[C@@H](Br)C2 2356575934 IDWIUXHNQBVESY-YLHZTVIJSA-N 416.625 5.108 50 1 HKGF COc1ccc([C@@H]2CC3=NC(C)=C(C#N)[C@@H](c4ccc5c(c4)OCO5)C3=C(O)C2)cc1 103996556 AQLIFGBLQZRVSR-MZNJEOGPSA-N 414.461 5.149 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)n([C@@H](C)c3ccccc3)c1C)O2 587373493 RBOPOPMGZCJAHX-SSOJOUAXSA-N 422.956 5.704 50 1 HKGF C[C@H](Br)[C@]1(c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587499608 NSVXIDDANNIOLE-ZSEKCTLFSA-N 419.746 5.863 50 1 HKGF Cc1cc(C)c([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1 587541541 CGCLSDFZOQOCRB-QPPBQGQZSA-N 408.881 5.413 50 1 HKGF Cc1ccc([C@]2([C@@H](C)Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C 587546885 YQAHUTGUHYSIDH-WONHAXNMSA-N 408.881 5.493 50 1 HKGF C[C@H](Cl)[C@@]1(c2ccc(Cl)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587688337 LLAXCDIHKYBBMD-DDBGAENHSA-N 417.149 5.647 50 1 HKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H](Cl)c2ccc(F)cc2)N1 587737350 XCYRCWGZUOOHQT-YZOQQBSESA-N 400.694 5.457 50 1 HKGF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587928126 WRXJWKVWJBCRNR-CYBMUJFWSA-N 422.419 6.779 50 1 HKGF CC[C@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2[C@@]34C=C[C@@]5(C[C@H](O)CC[C@@]5(C)C3=CC[C@]12C)OO4 2356391427 QRMRXDOWNSSATH-SHLFFDESSA-N 412.614 6.148 50 1 HKGF C[C@H](C=C[C@@H]1C[C@H]1C)[C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]23C=C[C@@]2(C[C@@H](O)CC[C@]12C)OO3 2356466297 ACIGRLRKXLVDFE-NRGHOTRNSA-N 412.614 5.838 50 1 HKGF O=C(NN=Cc1ccc(-c2ccccc2)cc1)c1cc(-c2ccc(Cl)cc2)n[nH]1 263590469 JRMXXWYLAAJXBO-UHFFFAOYSA-N 400.869 5.161 50 3 HKGF CC1(C)[C@@H]2CC[C@@]1(CCl)[C@@]1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587326317 KSVIFWVOCVKQOA-DRRUGAFGSA-N 414.904 5.694 50 1 HKGF C[C@H](Br)[C@@]1(c2cccc(Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587499827 PLIFDIPFWIOHJZ-YEJXKQKISA-N 419.746 5.863 50 1 HKGF O=C1C[C@](CCl)(c2cc(Cl)sc2Cl)Oc2c1ccc1c2CCCC1 587531817 MKBDJFGGBSAQCP-SFHVURJKSA-N 401.742 6.033 50 1 HKGF COC(=O)[C@H](C)[C@@H]1CC[C@](C)(CC[C@@H]2[C@](C)(O)CC[C@H]3C(C)(C)CCC[C@]32C)OO1 2356516321 UKQQQFDVYRDSMR-FQCFJLTISA-N 424.622 5.439 50 1 HKGF N#C/C(=C\c1ccc(-c2c(Cl)cccc2C(F)(F)F)o1)c1nc2ccccc2o1 40602127 YYUPGIBQTWODBQ-ZRDIBKRKSA-N 414.770 6.824 50 1 HKGF CCc1ccc([C@]2([C@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587325487 YCUVSJPOUZREBG-ZFNHMYRTSA-N 424.899 5.975 50 1 HKGF Cc1cc([C@@]2(CCl)c3ccc(F)cc3C[C@@H]3CCCN32)c(C)n1CCC(C)C 963102807 RZILDOYAZAGCRR-XUZZJYLKSA-N 402.985 5.793 50 1 HKGF C[C@H](c1ccc(CBr)cc1)c1nc2cc(F)cc(Br)c2[nH]1 586974793 ZXDPTYSNQWUUBN-SECBINFHSA-N 412.100 5.511 50 1 HKGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2cccc(F)c2)[C@@H]1c1ccc(F)cc1 587338131 SYXLJERAGWVDQZ-IRLDBZIGSA-N 400.808 5.164 50 1 HKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(Cl)cc2)N1 587686378 URKLKDBOCHGTQQ-BMLIUANNSA-N 403.122 5.258 50 1 HKGF CSc1ccc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587846289 QAJQQGDGOWKFQU-BBATYDOGSA-N 414.771 5.327 50 1 HKGF COc1ccc([C@H]2CC3=NC(C)=C(C#N)[C@H](c4ccc(N(C)C)cc4)C3=C(O)C2)cc1 19761096 AEKCTCJZGUGATJ-DFBJGRDBSA-N 413.521 5.487 50 1 HKGF C=C(CC1([C@@H](C)NP(=O)(c2ccccc2)c2ccccc2)CC1)c1ccccc1 64750129 WVQFQKSBVLZKGP-JOCHJYFZSA-N 401.490 5.777 50 1 HKGF C[C@H](c1ccc(CBr)cc1)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 586974526 XOAYNQXIQCOJRX-SECBINFHSA-N 401.201 5.768 50 1 HKGF CCCc1c(O)ccc2c1O[C@@](CSC#N)(c1ccc3ccccc3c1)CC2=O 587494746 YMIGRNATFSPXRZ-DEOSSOPVSA-N 403.503 5.573 50 1 HKGF CSc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587613640 OKSPLDIPGQEQAC-SIKLNZKXSA-N 412.894 5.210 50 1 HKGF COc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1CCl 587682706 DFTGKPZXJKKNAG-NSPYISDASA-N 412.730 5.133 50 1 HKGF Cc1sc2c(c1C)CCN[C@@]2(CCl)c1cc(C)n(-c2ccccc2F)c1C 963018493 GFVMZXOFQUVEMS-QFIPXVFZSA-N 402.966 5.540 50 1 HKGF COC(=O)[C@H](C)[C@@H]1CC[C@](C)(CC[C@@]2(C)[C@@H]3CCC=C(C)[C@]3(C)CC[C@H]2C)OO1 2356619649 ODANAQMVYMSWBA-GPXXFDTLSA-N 406.607 6.244 50 1 HKGF COc1ccc(-c2[nH]c3ccccc3c2/C=C(\C#N)C(=O)c2c[nH]c3ccccc23)cc1 299821584 FYKNXJGUWBXJPV-NBVRZTHBSA-N 417.468 6.115 50 1 HKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc3c(c1)-c1ccccc1C3)CC2=O 587459953 JINMQTUBSLZTDB-SANMLTNESA-N 418.920 6.015 50 1 HKGF C[C@H](Cl)[C@@]1(c2ccc(F)c(F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 587725930 SYNYFZRCJGBGHN-JJQCHNSYSA-N 418.684 5.272 50 1 HKGF CSc1nc(NC2CCCCC2)c2cnn(C[C@H](Cl)c3ccccc3)c2n1 13589898 NVAPKTKFDUBCTL-KRWDZBQOSA-N 401.967 5.273 50 1 HKGF Cc1cc2c(C(=O)NN(C(=O)c3cc(Cl)cc(Cl)c3)C(C)(C)C)cccc2o1 103215837 SDRYRDLSDKEROX-UHFFFAOYSA-N 419.308 5.634 50 1 HKGF FC(F)c1c(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cnc2ncnn12 587128415 MWMCYCXCUCLCAJ-UHFFFAOYSA-N 412.294 5.263 50 1 HKGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc(Cl)s2)[C@H]1c1ccc(F)cc1 587376482 PJDDREGNABCGOL-ICSRJNTNSA-N 423.292 5.739 50 1 HKGF FC(F)(F)c1cccc([C@]2(CCl)NCCc3cc(-c4ccccc4)ccc32)c1 962658212 CGWXQIFVGKDSIK-QFIPXVFZSA-N 401.859 6.001 50 1 HKGF C=C(c1ccc(Cl)cc1)[C@@H]1CCOC2(CCC(Nc3ccc(F)cc3)CC2)OO1 49881905 URQFTEXSQKJKHH-KOENEWCDSA-N 417.908 5.980 50 1 HKGF Cc1ccc([C@]2([C@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587321819 FMJQFVJWNPDAPO-AMOXOZGRSA-N 410.872 5.721 50 1 HKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n([C@@H](C)COC)c1C)CC2=O 587457892 CXTSMQKNZJPZHR-WNSKOXEYSA-N 419.949 5.070 50 1 HKGF O=C1C[C@@](CBr)(c2ccc(F)cc2Cl)Oc2c1ccc1c2CCCC1 587503937 KUJFMPUZACXRDE-HXUWFJFHSA-N 423.709 5.614 50 1 HKGF O=C(CCCl)Nc1c(-c2ccccc2)[nH]c2c1c(Br)cc1n[nH]cc12 587621748 ILZRHXUJQGTSLC-UHFFFAOYSA-N 417.694 5.041 50 1 HKGF Cc1cc(C)c([C@]2([C@H](C)Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C 587688384 MCIDSIPUQYQQOP-GXZWQRSESA-N 424.785 5.919 50 1 HKGF CCCN1[C@H](C)Cc2ccccc2[C@]1(c1c[nH]c2ccccc12)[C@@H](C)Br 963234713 VKYDNKGQTQYDDQ-QZMQVMSPSA-N 411.387 5.852 50 1 HKGF CC(C)[C@H](C)C=CC[C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]23C=C[C@@]2(C[C@@H](O)CC[C@]12C)OO3 2356490331 DXBFOXLIWFGNBY-IOBQXAIJSA-N 414.630 6.228 50 1 HKGF COC(=O)[C@H](C)[C@H]1CC[C@@](C)(CCC2=C(C)C(=O)C[C@@H]3C(C)(C)CCC[C@@]23C)OO1 42806243 PDWDODCLXVJGRQ-ANEHDTCOSA-N 420.590 5.567 50 1 HKGF C=C1C(C)=C(C#N)C(=O)N1c1c(C)cc(C)cc1C(F)(C(F)(F)F)C(F)(F)F 64264829 KABQEKWJUITGMA-UHFFFAOYSA-N 406.301 5.293 50 1 HKGF COC(=O)[C@H](C)[C@H]1CC[C@@](C)([C@H]2C[C@H]3C(C)(C)[C@H]4CCC(C)=C[C@H]4C[C@@]3(C)O2)OO1 73224347 PNOATZDSQDNWLZ-DJWZHDLXSA-N 420.590 5.231 50 1 HKGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1 587327009 NYFZWRWSEWANHJ-UNMCSNQZSA-N 417.263 5.678 50 1 HKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCCl)(c2ccc(Cl)cc2)N1 587685848 RUZBARWLTUWKHW-VOJFVSQTSA-N 417.149 5.648 50 1 HKGF C[C@H](CCCCCCCCc1ccccc1)C[C@]1(C)C[C@@H](C)[C@H](CC(=O)O)OO1 2356703841 WWELFMUZLGDSGQ-NTNMUZRVSA-N 404.591 6.576 50 1 HKGF CC1(C)[C@@H](C(Cl)Cl)[C@@]2(Cl)[C@@H](Cl)[C@@H](Cl)[C@@]1(Cl)C2(Cl)Cl 169296657 HRBUJQUHXGOSQW-AQCYNBHVSA-N 413.814 5.804 50 1 HKGF CC[C@@H]1C(=O)C[C@H](c2ccc(Cl)cc2)N(C(=O)CCl)[C@@H]1c1ccc(Cl)cc1 169318554 NBOZASNOGSEHMN-DBXWQHBBSA-N 424.755 5.842 50 1 HKGF C[C@@H](Oc1ccc(F)c(F)c1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587152171 XBMGDWCXDNLTHY-MRVPVSSYSA-N 400.319 6.639 50 1 HKGF COc1ccc(Cl)cc1C#Cc1cc(CBr)ccc1C(F)(F)F 587914128 ZNKGTYVBRKDDLM-UHFFFAOYSA-N 403.625 5.662 50 1 HKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](Sc3ccc(Cl)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 1857587931 ZMGJSAWGVDXIDQ-SZMJOESGSA-N 410.963 5.640 50 1 HKGF Cc1cc(/C=C/C#N)cc(C)c1Oc1cc(Nc2ccc(C#N)cc2)nc(NC2CC2)c1 1857759239 LKVUIHWHWOLKGZ-ONEGZZNKSA-N 421.504 6.217 50 1 HKGF CC(=CCC[C@]1(C)CC[C@H]([C@H](C)C(=O)O)OO1)CC[C@@]12O[C@@]1(C)CCCC2(C)C 2356582850 ZJDQUUJWNSJRQH-OWRMQYLZSA-N 408.579 5.821 50 1 HKGF C=C1C[C@@H](O)[C@@H](Br)C(C)(C)[C@]12CC[C@@](C)(Br)[C@H](Cl)C2 6018594 JPQFUHCOKXIWBB-FWZIUSJTSA-N 414.609 5.028 50 1 HKGF Fc1ccc([C@H](Cl)Cn2ncc3c(Nc4cccc(Cl)c4)ncnc32)cc1 96272524 WRKPMADIDJPSLM-QGZVFWFLSA-N 402.260 5.343 50 1 HKGF FS(F)(F)(F)(F)c1ccc2[nH]c(-c3cc(-c4cccc(Cl)c4)[nH]n3)nc2c1 587067849 AHHTWRLCUMIIEB-UHFFFAOYSA-N 420.794 6.931 50 1 HKGF CCc1ccc(-n2c(C)cc([C@@]3(CCl)NCCc4c3sc(C)c4C)c2C)cc1 963016849 CNZGIILIFMFQOW-XMMPIXPASA-N 413.030 5.963 50 1 HKGF CC(=O)O[C@]1(C)[C@H]2CC=C(C=O)[C@H]1[C@](C)([C@H](C)CCC=C(C)C)[C@@H](C(C)=O)CC2 2356632208 HPSPFNDWQCDWLW-MLERZWQMSA-N 402.575 5.457 50 1 HKGF O=C(CCCC[C@H]1CCSS1)OC1CCN(CCCc2ccccc2)CC1 95581855 FXHDSXFTYNGCLV-NRFANRHFSA-N 407.645 5.341 50 1 HKGF O=C(CCl)c1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cs1 586994501 VMUCQIXESDMJHI-UHFFFAOYSA-N 405.862 5.302 50 1 HKGF CC(C)c1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587327663 QPIRBHDRHYTDFX-NOZRDPDXSA-N 424.899 6.148 50 1 HKGF COc1ccc2[nH]c(C(=O)N3C[C@@H](CCl)c4c3cc(O)c3ccccc43)cc2c1 96913702 IMPWYRASDRUABE-CQSZACIVSA-N 406.869 5.018 50 1 HKGF O=C(NCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)c1cc2c(s1)CCC2 587035035 MZAPZGSLMDEJCE-UHFFFAOYSA-N 423.432 5.701 50 1 HKGF CCCCOc1cc2nc([C@@H](Br)C(C)(C)F)[nH]c2cc1Br 587087555 RKDQOGCYGSRZBI-CYBMUJFWSA-N 422.136 5.688 50 1 HKGF CC(C)[C@@H](c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)N(C)C 587198483 GKEVMBRVYTZWIO-LBPRGKRZSA-N 422.261 6.242 50 1 HKGF COc1ccc(Cl)cc1C#Cc1cccc(C(F)(F)F)c1CBr 587913684 CDRXQOTYVSAWQU-UHFFFAOYSA-N 403.625 5.662 50 1 HKGF CCO/C=N/C1=C(C#N)[C@@H](c2ccc(Cl)cc2)c2ccc3ccc(C)nc3c2O1 103200356 ICBDWTUIVNXLIG-SCRDLHCBSA-N 403.869 5.521 50 1 HKGF CC[C@@H]1/C(=N/OC(=O)O[C@H](C)Cl)C[C@@H](c2ccccc2)N(C)[C@@H]1c1ccccc1 169300352 OJRZNSBREGNNNV-XWIGNXGWSA-N 414.933 5.925 50 1 HKGF Nc1nc(-c2cccc(-c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)c2)cs1 587022291 WBNLSCSIWMBXPD-UHFFFAOYSA-N 418.416 6.593 50 1 HKGF Cc1cc(C)c([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1C 587689322 RRHZBCBFTSJUOT-ZSEKCTLFSA-N 424.785 5.838 50 1 HKGF O=C(NN/C=C1\C=Nc2ccccc21)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1 1500552 FNIRIFPOKCFIPN-JQIJEIRASA-N 412.880 5.480 50 1 HKGF C=C1C(=O)C=C(Br)C(C)(C)[C@]12CC[C@@](C)(Cl)[C@H](Br)C2 13449890 GBCRADGFVBSNKZ-YUELXQCFSA-N 410.577 5.362 50 1 HKGF biogenic C=C(Cl)[C@@](Cl)(CBr)CC[C@@H](Cl)C(C)(C)Br 85855493 ZFHCZRDDIPJYNW-SCZZXKLOSA-N 401.397 5.673 50 1 HKGF C[C@@H](c1ccc(CBr)cc1)c1nc2ccc(Sc3ccccc3)cc2[nH]1 586973807 OXPVEBDZJVEART-HNNXBMFYSA-N 423.379 6.761 50 1 HKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1F 587721507 WLAICMUADIBJGF-ADLMAVQZSA-N 400.694 5.052 50 1 HKGF COc1ccc(CCCc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c(OC)c1 587929070 PJHSJTJWXDHTNS-UHFFFAOYSA-N 422.419 6.413 50 1 HKGF C=C(c1ccc(-c2ccccc2)cc1)[C@H]1CCOC2(OO1)C1CC3CC(C1)CC2C3 44157030 AZNVYFVZUAQUSC-SUANTEFKSA-N 402.534 6.256 50 1 HKGF O[C@H]1CC[C@@H](c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)CC1 586897954 FTSFTNPPPLZOMZ-OCAPTIKFSA-N 421.229 6.001 50 1 HKGF C[C@@H](c1ccc(CBr)cc1)c1nc2ccc(Oc3ccccc3)cc2[nH]1 586973409 JWUJWLZSXXIGFR-HNNXBMFYSA-N 407.311 6.402 50 1 HKGF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](CBr)(c2c(F)cccc2Cl)N1 962949255 LBWCGTDENSCVKO-FKIZINRSSA-N 421.741 5.523 50 1 HKGF CCC[C@@]1(c2ccccc2)OC(c2cc3ccccc3o2)=C(C#N)[C@H]1c1ccccc1 103295334 YIZGRTPEGLFSQI-IAPPQJPRSA-N 405.497 7.177 50 1 HKGF COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)n(CCC(C)C)c1C)[C@@H](C2)C3=O 587416860 FYLUZDDTLRBSKI-WMZHIEFXSA-N 401.934 5.041 50 1 HKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCCl)(c2ccc(Cl)cc2)N1 587683254 GBHCTSVSBJGUGD-ZMZPIMSZSA-N 417.149 5.648 50 1 HKGF C=CCC(C)(C)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587954369 QZVFUQYGQPMDFS-UHFFFAOYSA-N 405.230 6.837 50 1 HKGF COC[C@@H](CO)N(C)C(=O)CCC=CCCCC[C@@H](Cl)CCCCCCCl 2356825758 HFTYBOHUADLAJY-WOJBJXKFSA-N 424.453 5.146 50 1 HKGF COc1ccc(-c2ncccc2NP(=O)(c2ccccc2)c2ccccc2)cc1 95594768 BRICGKXBKLEEGW-UHFFFAOYSA-N 400.418 5.098 50 1 HKGF Cl[C@@H]1[C@H](Cl)C[C@H]2[C@H]1[C@]1(Cl)[C@H](Cl)[C@H](Cl)[C@]2(Cl)C1(Cl)Cl 100066740 AHDSBZOIXGOWCI-YFQACFPFSA-N 411.798 5.208 50 1 HKGF in-vitro N#CSC[C@]1(c2ccccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587331671 JPVUTZATQUODKZ-FYYLOGMGSA-N 423.440 5.139 50 1 HKGF CCOC(=O)[C@H](Cl)c1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1C 587356875 AUUUUZVZTPCNGA-LJQANCHMSA-N 409.869 5.808 50 1 HKGF Cc1ccc([C@]2(CSC#N)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587371041 ZQBLZWVGDQGHLK-UPVQGACJSA-N 419.477 5.308 50 1 HKGF Cc1cc(C)c([C@]2([C@@H](C)Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C 587541277 ALPIFMSFPGCQES-SEIFXHLTSA-N 422.908 5.802 50 1 HKGF C[C@@H](Cl)[C@]1(c2c[nH]c3ccccc23)c2cccc(Br)c2CCN1C 963279656 IGRMEEBASUADIM-ZUOKHONESA-N 403.751 5.289 50 1 HKGF CC1=CC[C@H]2[C@@H](C1)c1c(O)cc(CC#CCCCBr)cc1OC2(C)C 27842160 QHFROVGTWNPDOW-MSOLQXFVSA-N 403.360 5.724 50 1 HKGF CCCCOc1cc2nc(/C(C#N)=C\c3ccc(C)cc3)[nH]c2cc1Br 587188406 RMNGHDHGAJKMRT-YBEGLDIGSA-N 410.315 5.877 50 1 HKGF Cc1ccc([C@]2([C@@H](C)Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C 587689237 RBPRLDANZBDYPL-MNVSYLFESA-N 410.758 5.610 50 1 HKGF COc1ccc2c(c1)[C@](CCCCCCl)(c1ccc(Cl)nc1)N[C@H]1CC[C@H]21 962998885 WXLBTHBDEPAMAZ-CBQOVEMMSA-N 405.369 5.636 50 1 HKGF Cc1ccc(C2=C(C#N)C(=O)N[C@@](c3ccc(C(C)(C)C)cc3)(C(F)(F)F)C2)cc1 1772611358 SWGRXKTWGGZGSR-QHCPKHFHSA-N 412.455 5.547 50 1 HKGF CC1(C)CCC[C@]2(C)[C@]1(C)CC[C@]1(C)[C@]3(C)CC=C(C=O)C[C@]3(C)[C@H](O)C[C@@]12C 2356332327 DXWFDFCYGZYCCS-ZHHYORPISA-N 400.647 6.712 50 1 HKGF CCCCCCCCOc1cc2nc(CBr)[nH]c2cc1Br 586971784 YWLDTKWMKYRNEF-UHFFFAOYSA-N 418.173 5.960 50 1 HKGF O=C1c2ccccc2-c2c(CCCl)c(-c3ccc(O)cc3)nc3ccc(O)c1c23 586985715 JLDOEEODAAQBFQ-UHFFFAOYSA-N 401.849 5.306 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1cc(C)n(-c3ccccc3)c1C)([C@H](C)Cl)O2 587371470 FUWTZIHXPVIYJU-BXKMTCNYSA-N 408.929 5.473 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(C)c(Cl)c1)([C@H](C)Br)O2 587376406 XLPGTKAAFXECRJ-BUXKBTBVSA-N 408.723 5.183 50 1 HKGF CCCc1c(O)ccc2c1O[C@](c1cccc(C)c1)([C@H](C)Br)CC2=O 587457452 ZSTZODDZNMBEPC-QKKBWIMNSA-N 403.316 5.297 50 1 HKGF CCCc1c(O)ccc2c1O[C@](CSC#N)(c1cccc3ccccc13)CC2=O 587491083 ICZLDSCLNPZQTL-XMMPIXPASA-N 403.503 5.573 50 1 HKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1csc2ccccc12 587617599 KSSBOENCVOVVGT-REWPJTCUSA-N 422.889 5.703 50 1 HKGF CC(=CC[C@H](Cl)[C@@](C)(Br)CCl)[C@@H](Cl)CBr 2356754104 HHJBRGGJADRQIH-GUBZILKMSA-N 401.397 5.325 50 1 HKGF CC1(C)C(Br)=C[C@@H](Br)[C@@]2(C)O[C@@H]3C[C@@]12CC[C@]3(C)Cl 2356823358 GLXCOLJSTQUWKV-NXRJPMIISA-N 412.593 5.394 50 1 HKGF CCc1ccc(C(=O)N(SOC)N(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1 103205207 WFAFQUCFWBTTBK-UHFFFAOYSA-N 414.571 5.374 50 1 HKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(CBr)nc2c1 586972427 QPJIIQHIJNROFG-UHFFFAOYSA-N 416.007 5.878 50 1 HKGF CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@H](Br)[C@H]2CC[C@@]1(C)C2(C)C 587461503 XNQBKRMAYCEKDP-MLCUKSTJSA-N 407.348 5.268 50 1 HKGF Cc1[nH]c2ccccc2c1[C@@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587545740 SIUKFMYQOMZJOX-XUZZJYLKSA-N 419.864 5.278 50 1 HKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(C2CCC(F)(F)CC2)N1 587719349 LDRYXLZIQGLYHP-BTDLBPIBSA-N 410.705 5.382 50 1 HKGF O=C(N/N=C/c1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1)c1ccncc1 1772629512 WLYOMSLGLRQNNG-HACUQKLBSA-N 424.287 5.048 50 1 HKGF C[C@]1(CCCCCCCCCCc2ccccc2)CC[C@@](C)(CCC(=O)O)OO1 2356822593 FXARBNGSFQVXFA-LOSJGSFVSA-N 404.591 6.864 50 1 HKGF CC1(C)C(Br)=C([C@@H](Cl)CBr)CC[C@H]1Br 43382122 CYZCHHADPFRZIU-JGVFFNPUSA-N 409.387 5.221 50 1 HKGF biogenic O=C1C[C@H](c2ccc(S(F)(F)(F)(F)F)cc2)Oc2c1ccc1c2CCCC1 587511022 ZVFYMYKKWDCSOG-GOSISDBHSA-N 404.400 6.929 50 1 HKGF COC(=O)[C@H](C)[C@@H]1CC[C@](C)(CCC2=C(C)C[C@@H]3C=C(C)CC[C@@H]3C2(C)C)OO1 2356597063 SXELECXXRAJAPF-FIGQQVBNSA-N 404.591 6.164 50 1 HKGF COc1ccc(OC)c([C@H]2C(C#N)=C(C)N=C3C[C@H](c4ccccc4)CC(O)=C32)c1 103866575 IXIKBHSIWXLTOA-XDHUDOTRSA-N 400.478 5.429 50 1 HKGF CCN(CC)c1ccc(/C=C(\C#N)c2nc3cc(OC(F)(F)F)ccc3[nH]2)cc1 299862826 KBJNYZKNUKIYCU-RVDMUPIBSA-N 400.404 5.372 50 1 HKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1c(C)c(C)c(C)c(C)c1C)CC2=O 587457678 AHSNEXIREODPNK-XMMPIXPASA-N 400.946 5.986 50 1 HKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(CBr)cc2)N1 587672172 DNCWFUZTHGWCGI-BTDLBPIBSA-N 413.128 5.107 50 1 HKGF Cc1cc([C@@]2(CCCCl)c3ccsc3CCN2Cc2ccco2)ccc1F 962712583 VBXIIWXCUQXBKL-QFIPXVFZSA-N 403.950 6.110 50 1 HKGF CCC/C(Br)=C1/O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 103106199 YVONXOJDPSLXAR-RCFJRJMESA-N 401.341 5.275 50 1 HKGF Cl[C@@H]1[C@H](Cl)C[C@@H]2[C@H]1[C@@]1(Cl)[C@@H](Cl)[C@@H](Cl)[C@@]2(Cl)C1(Cl)Cl 299812841 AHDSBZOIXGOWCI-FZYKPIEESA-N 411.798 5.208 50 1 HKGF C[C@H](Oc1ccc(F)c(F)c1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587152172 XBMGDWCXDNLTHY-QMMMGPOBSA-N 400.319 6.639 50 1 HKGF Cc1ccc([C@]2([C@@H](C)Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C 587546886 YQAHUTGUHYSIDH-YOJAFSQSSA-N 408.881 5.493 50 1 HKGF C[C@H](Oc1ccc2ccccc2c1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587950911 GYESLGZKTXDFRV-LBPRGKRZSA-N 414.399 7.514 50 1 HKGF CCCC(=O)Nc1ccc([C@]2([C@@H](C)Cl)c3c(F)cccc3C[C@H]3CCCN32)cc1 963107125 WQUKHPYKPLVQEH-SRDOKRBCSA-N 414.952 5.456 50 1 HKGF CC(C)C1=CC2=C(CC1)[C@]1(C)CCC[C@@](C)(C(=O)Oc3ccc([N+](=O)[O-])cc3)[C@H]1CC2 2356859008 WPVWDFXFXSUCSJ-AYRHNUGRSA-N 423.553 6.780 50 1 HKGF CC(=O)c1sc(-c2ccc(Cl)cc2)nc1C(Br)Br 71316930 JGISAVGHVQNRPK-UHFFFAOYSA-N 409.530 5.455 50 1 HKGF CCc1ccc([C@]2([C@@H](C)Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587545634 RWTAXXOZOCXDSJ-FVFQAYNVSA-N 408.881 5.439 50 1 HKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H]3CC[C@]2(CCl)C3(C)C)N1 587684384 KNJKKSGLBVKDJF-VMQKWGEKSA-N 400.763 5.383 50 1 HKGF CCCCCCC[C@H](C)CC[C@H](C)C(=O)OC=C[C@@H](Br)OC(C)=O 2356655663 JZGQWWKTVUYPPC-BQFCYCMXSA-N 405.373 5.740 50 1 HKGF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3C[C@H](C)[C@]2(OO)C(C)=O)C1 2356737730 SZGJLABGQCABNH-XUCTYQTDSA-N 406.563 5.024 50 1 HKGF CCCNc1c(C(=O)O[C@@H](C)CC)cnc2c1cnn2C[C@@H](Cl)c1ccccc1 13675565 JXEQVCFVYFMHLC-HNAYVOBHSA-N 414.937 5.189 50 1 HKGF CCCCC[C@@H](Cl)[C@H](Cl)C[C@@H](Cl)[C@@H](Cl)CCCCCCCC(=O)O 231930269 FRSRMUYUIAXUAX-YYIAUSFCSA-N 422.264 7.202 50 1 HKGF FC(F)(F)c1cc(Br)cc2nc(CCCCBr)[nH]c12 586972331 MPBUQPYPUPLYAX-UHFFFAOYSA-N 400.036 5.062 50 1 HKGF BrC/C=C/c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 586972488 UGAITEYVEFNUEP-QPJJXVBHSA-N 422.120 5.313 50 1 HKGF Cc1cc(C#Cc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)ccc1[N+](=O)[O-] 587261917 KDWLBVCKMYQPTG-UHFFFAOYSA-N 403.332 5.837 50 1 HKGF C[C@]1(c2ccc(O)c(CCl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587328109 SXDXQXSPAODSRP-JTHBVZDNSA-N 412.844 5.250 50 1 HKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(CBr)cc2)N1 587672171 DNCWFUZTHGWCGI-BMLIUANNSA-N 413.128 5.107 50 1 HKGF C=C(C)C1=CC2=CC[C@@H]3[C@](C)(C(=O)Oc4ccc([N+](=O)[O-])cc4)CCC[C@]3(C)[C@H]2CC1 2356849046 BHHOISVHWJKJHR-IHBRBHLJSA-N 421.537 6.556 50 1 HKGF Cc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 51103525 VFGHJPMFADQJEB-WJDWOHSUSA-N 407.304 6.341 50 1 HKGF N#CC1=C(c2ccccc2)C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)c2ccccc2)C1=O 102957238 JBRASADWXDKCLJ-LADGPHEKSA-N 411.888 5.873 50 1 HKGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2cccc(Cl)c2)[C@@H]1c1ccc(F)cc1 587328464 URDWZNZTVBBKAO-IRLDBZIGSA-N 417.263 5.678 50 1 HKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(CBr)c2)N1 587672457 FYLSVLHDTGHCJC-DYZYQPBXSA-N 413.128 5.107 50 1 HKGF CC[C@H](C)[C@@]1(CBr)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962635273 IPSPBYMMOZXADB-ZEYPLWLESA-N 413.403 5.070 50 1 HKGF C=C1CC[C@@H](Br)C(C)(C)[C@H]1Cc1cc(O)c(Br)cc1OC 2356794876 LNRQNLLHADGLMJ-BLLLJJGKSA-N 418.169 5.462 50 1 HKGF CC1(C)[C@]2(Cl)[C@H](Cl)[C@@H](Cl)[C@@](Cl)(C(Cl)Cl)[C@@]1(Cl)[C@@H]2Cl 15449109 DVEYBSZJQZPNLT-REVXMDBXSA-N 413.814 5.599 50 1 HKGF N#CC1=C(/N=C\c2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)S[C@H]2CCCC[C@@H]12 36151601 KIBZYGPSCVIUCQ-HLEIHJSZSA-N 412.898 5.758 50 1 HKGF CC1(C)[C@H](C(Cl)Cl)[C@@]2(Cl)[C@H](Cl)[C@H](Cl)[C@@]1(Cl)C2(Cl)Cl 253951183 HRBUJQUHXGOSQW-SQEOIVCFSA-N 413.814 5.804 50 1 HKGF CC(C)(C)[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587321724 KMVKRXPTLMHKEJ-PXNSSMCTSA-N 407.279 5.070 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCCBr)(c1ccc(Cl)cc1)O2 587375466 SRKXYIQHAIIOQZ-IBGZPJMESA-N 408.723 5.266 50 1 HKGF C[C@@H](Br)[C@@]1(c2cc(F)ccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587501636 CMKXELSUZORHEO-XUSGNXJCSA-N 421.281 5.488 50 1 HKGF C[C@H](CC=CC(C)(C)OO)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356456850 SISZKTSVHKUZKL-XUBINDJISA-N 416.646 6.777 50 1 HKGF CC(=O)c1c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nn(CCCl)c1=O 29209282 ALGIETYHOFRCIW-UHFFFAOYSA-N 421.711 5.326 50 1 HKGF CCc1cc(OCc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)ccc1Cl 587052851 PUZNAMBVNDRRQN-UHFFFAOYSA-N 412.811 7.015 50 1 HKGF Cc1ccc(C)c([C@]2([C@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587325037 WINUDFGYBBGPLJ-VVHBXYOFSA-N 424.899 6.030 50 1 HKGF O=C1c2ccc(O)cc2O[C@@](CCCCl)(c2ccccc2)[C@H]1c1ccc(F)cc1 587325454 FTDBPWNSUMPELK-UPVQGACJSA-N 410.872 5.805 50 1 HKGF ClCCCC[C@]1(c2ccnc(Cl)c2)c2ccsc2CCN1Cc1ccco1 962707824 OTMVZOCMTQEKCU-NRFANRHFSA-N 421.393 6.101 50 1 HKGF CCCCC[C@@H](O[Si](C)(C)C)[C@H](CC=CCCCCCCCC(=O)OC)OC 2356534540 MFAQJJHSPYTDNA-FCHUYYIVSA-N 414.703 6.652 50 1 HKGF O=P(c1ccccc1)(c1ccccc1)[C@H](NCc1ccccc1)c1ccc(F)cc1 73291977 ALDGIMMWRISIHN-SANMLTNESA-N 415.448 5.628 50 1 HKGF CC[C@H](C)/C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@]34C=C[C@]5(C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@]12C)OO4 261523138 RMCNEIUNJZPGIG-VZYUGMARSA-N 414.630 6.228 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(NC(=O)C(C)(C)C)cc1)([C@@H](C)Cl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c1cc(C)c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1CCl 587545950 UDYGFUJJLWOIKZ-DHLKQENFSA-N 422.908 5.933 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1cc(Cl)cc(Cl)c1)O2 587375991 WKBWADFRTORDAZ-KRWDZBQOSA-N 415.114 5.140 50 1 HKGF O=C1C[C@]2(C=C(CCl)OC=C2OCc2ccccc2)Oc2c1ccc1c2CCCC1 587496335 CHSFFGXBKZCWET-VWLOTQADSA-N 422.908 5.481 50 1 HKGF Cc1cc(C)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1CCl 587682929 FBWQHLPKNTUASX-LRTDBIEQSA-N 424.785 6.050 50 1 HKGF COc1ccccc1[C@]1(C)C[C@H]1c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587930214 NMNHQHVBBPNVKR-UGSOOPFHSA-N 404.404 6.674 50 1 HKGF Oc1ccc(-c2nc(-c3ccc(Oc4ccc(CBr)cc4)cc3)no2)cc1 653776542 GKAHPRDRGSFCTG-UHFFFAOYSA-N 423.266 5.796 50 1 HKGF C[C@H]1C[C@H]1C=C[C@@H](C)[C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]23C=C[C@@]2(C[C@@H](O)CC[C@]12C)OO3 2356466298 ACIGRLRKXLVDFE-UVQBBGPBSA-N 412.614 5.838 50 1 HKGF C[C@@H](CCCCCC/C=C/c1ccccc1)C[C@@]1(C)CC[C@](O)(CC(=O)O)OO1 49775431 FQNCIZGCBWUVSG-SGDHFZHCSA-N 404.547 5.731 50 1 HKGF O=C1c2ccc(O)cc2O[C@]2(c3ccccc3CC[C@@H]2Cl)[C@@H]1c1ccc(F)cc1 587332623 SWCFEQKDPQQJEJ-ZDXQCDESSA-N 408.856 5.339 50 1 HKGF CC(C)(C)c1ccc(C2=C(C#N)C(=O)N[C@@](C)(c3ccc(C(C)(C)C)cc3)C2)cc1 1772592795 XNBDYZYPLOVOAZ-HHHXNRCGSA-N 400.566 5.994 50 1 HKGF C[C@]1(CCCCCCCCC=CC=Cc2ccccc2)C[C@@]2(C)OC(=O)C[C@@H]2OO1 2356605541 KEKDEOVVWKTZKA-AYRHNUGRSA-N 412.570 6.562 50 1 HKGF COc1ccc2c(c1)CC[C@@](N)(c1nc3ccc(S(F)(F)(F)(F)F)cc3[nH]1)C2 587246297 FXPBKBSYACTPKJ-SFHVURJKSA-N 419.419 5.572 50 1 HKGF O=C1c2ccc(O)cc2OC2(CCC(CBr)CC2)[C@@H]1c1ccc(F)cc1 587320314 FIBUYDCLUHEPBD-WLWLVNLQSA-N 419.290 5.214 50 1 HKGF CCCCCC[C@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587537241 CAFNEBHHWFVWHI-GHTZIAJQSA-N 419.315 5.458 50 1 HKGF CC(=O)CCCC(C)(C)C(=O)CC/C(C)=C/CC[C@@]1(C)CC[C@@H]([C@@H](C)C(=O)O)OO1 96085586 UCWHHFGTUDDROG-DNKDVBPTSA-N 424.578 5.438 50 1 HKGF in-vitro C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCCCCl)cc2)N1 587682456 CKODQUFCIICGFM-BLVKFPJESA-N 412.730 5.220 50 1 HKGF CCc1ccc([C@]2([C@@H](C)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587686296 CEHNVVRULQANMN-IZDJOXEWSA-N 410.758 5.556 50 1 HKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCCCl)(c2ccc(O)cc2)N1 587686383 USBPJCOJJFBZNW-BUXKBTBVSA-N 412.730 5.091 50 1 HKGF CCCc1ccc(-n2c(C)cc([C@@]3(CCl)NCCc4ccc(F)c(C)c43)c2C)cc1 962373774 JEOGPFJGQKWJHP-AREMUKBSSA-N 424.991 6.122 50 1 HKGF C=C(CCC=CC=O)[C@@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C 2356384603 MQEYELVNMAGBIE-LAOKQPGDSA-N 424.669 7.332 50 1 HKGF CC1(C)CC(=O)C(/C=N/c2ccc(NC3=C(C#N)C(=O)CC(C)(C)C3)cc2)=C(O)C1 13572084 CIWAUCTWIGVYPN-VULFUBBASA-N 405.498 5.169 50 1 HKGF CC(C)c1ccc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587497586 CXFLEUJQYHRUJE-HSZRJFAPSA-N 413.355 5.944 50 1 HKGF C[C@H](Cl)[C@]1(c2c[nH]c3ccccc23)N[C@H](C)Cc2cc(Br)c(F)cc21 587689828 WUNFZMXQENWJKC-JGRMJRGVSA-N 421.741 5.475 50 1 HKGF CCCCC[C@H](O)c1ccc(N2CC[C@H](Cl)[C@H]2CC=CCCCC(=O)O)cc1 2356451009 RFCSWTDRMAILIS-BDTNDASRSA-N 407.982 5.688 50 1 HKGF Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CNC(=O)CCCC[C@H]1CCSS1)O2 45386037 BDRIOSNEDHVQNW-JTSKRJEESA-N 423.644 5.231 50 1 HKGF CC(C)=C/C(C=O)=C(/C)CCC/C(C)=C/CC[C@]1(C)CCc2cc(O)cc(C)c2O1 40873515 VYQSISDGHVLRPS-CWBAOMBQSA-N 410.598 7.163 50 1 HKGF C=C1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1/C=C/c1ccoc1 195095257 ZOUZDQFATNKFCE-ZVJOQDIVSA-N 414.706 8.092 50 1 HKGF Cl[C@@H]1[C@H](Cl)C[C@@H]2[C@H]1[C@@]1(Cl)[C@H](Cl)[C@@H](Cl)[C@@]2(Cl)C1(Cl)Cl 299812840 AHDSBZOIXGOWCI-BZLSKYSDSA-N 411.798 5.208 50 1 HKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc3cc(O)[nH]c3cc1Cl)CC2=O 587459385 IIRADIJAAOYIPY-NRFANRHFSA-N 420.292 5.285 50 1 HKGF CCOc1ccc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587686993 YJPRURNFALKBHW-BLVKFPJESA-N 412.730 5.004 50 1 HKGF CC1(C)CN[C@@](CCCCCCl)(c2ccc(Cl)nc2)c2cc3c(cc21)OCO3 963390449 JSYIHZBZRAIYBJ-QFIPXVFZSA-N 421.368 5.387 50 1 HKGF CC[C@H](C)c1ccc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587685881 BPBRGMQUVGHLPL-PXIJXODZSA-N 424.785 6.118 50 1 HKGF C=C(c1ccc2ccc3ccccc3c2c1)[C@H]1COC2(OO1)C1CC3CC(C1)CC2C3 43543963 BXAMLVRKECCHCS-UMSNEJTHSA-N 412.529 6.506 50 1 HKGF Cn1c(-c2ccc(NC(=O)CCl)cc2)nc(-c2ccccc2)c1-c1ccccc1 58494496 FMSDCTDRAPPEJH-UHFFFAOYSA-N 401.897 5.598 50 1 HKGF Brc1ccccc1-c1ccccc1P(c1ccccc1)c1ccccc1 59314554 QQKKVVVDPUCVHW-UHFFFAOYSA-N 417.286 5.874 50 1 HKGF COc1ccc([C@H]2C(C#N)=C(C)N=C3C[C@@H](c4ccc(Cl)cc4)CC(O)=C32)cc1 104696165 NKDSVLPODHYHIO-HXOBKFHXSA-N 404.897 6.074 50 1 HKGF CC1(C)[C@@H]2CC[C@@]1(CCl)[C@]1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587326319 KSVIFWVOCVKQOA-STWMFMCASA-N 414.904 5.694 50 1 HKGF O=C1c2ccc(O)cc2O[C@](CCCCl)(c2cccs2)[C@H]1c1ccc(F)cc1 587373262 ICTJJAIYBHKJLJ-RBBKRZOGSA-N 416.901 5.866 50 1 HKGF C[C@H](Br)[C@]1(c2cccc(Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587499829 PLIFDIPFWIOHJZ-ZSEKCTLFSA-N 419.746 5.863 50 1 HKGF C[C@H](Cl)[C@@]1(c2ccc(F)cc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 587723704 BWDHVUMZTIWAKF-JJQCHNSYSA-N 418.684 5.272 50 1 HKGF COC(=O)[C@H](C)[C@H]1CC[C@@](C)(CCCC(C)=CCC2=C(C)CCCC2(C)C)OO1 2356781601 BMRAENRJXMJDHN-QFZWGZQFSA-N 406.607 6.698 50 1 HKGF CN(C)c1ccc(/C=C/c2sc3ccccc3[n+]2CCCCBr)cc1 72138113 WTPIABYJZZALGN-UHFFFAOYSA-N 416.408 5.600 50 1 HKGF CC(C)(F)[C@H](Br)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 587087691 SQYTXTKBYDQLHS-SECBINFHSA-N 418.026 5.528 50 1 HKGF Cc1ccc(C)c([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587324993 BJSVBPLWASMHJE-VWNXMTODSA-N 410.872 5.641 50 1 HKGF COc1ccc2cc([C@@]3(CCl)CC(=O)c4cc(C)cc(N)c4O3)ccc2c1Cl 587373096 PRPLQQHXNYDAPX-QFIPXVFZSA-N 416.304 5.492 50 1 HKGF O=C1C[C@](CCl)(c2c(Cl)ccc(F)c2Cl)Oc2c1ccc1c2CCCC1 587508996 VIGAKYVRQZORJL-FQEVSTJZSA-N 413.703 6.111 50 1 HKGF Cc1[nH]c2ccccc2c1[C@@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 587681778 AQZKHCVMTMUVKV-PRWKNARSSA-N 421.741 5.395 50 1 HKGF CC(=CCc1ccccc1)C=C(C)C[C@H](C)C[C@]1(C)C[C@@H](C)[C@@H](CC(=O)O)OO1 2356690192 OORWRLWZGVHRGG-KWLZBDKBSA-N 400.559 6.128 50 1 HKGF C=C1C[C@H](O)[C@H](Br)C(C)(C)[C@@]12CC[C@](C)(Br)[C@@H](Cl)C2 1658415 JPQFUHCOKXIWBB-ZCRGAIPPSA-N 414.609 5.028 50 1 HKGF biogenic,in-vitro Cc1ccc(/C=C(/C#N)c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)cc1 587188114 NWZCWXSSGIOSQI-PXNMLYILSA-N 410.315 5.733 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1c[nH]c3ccccc13)([C@H](Cl)c1ccccc1)O2 587374349 XCBHQRAHQMERBX-RPBOFIJWSA-N 416.908 5.899 50 1 HKGF COc1cc2c3c(c1)O[C@](CCl)(c1ccc4c(c1)-c1ccccc1C4)[C@@H](C2)C3=O 587416597 BMDOEHIXOMCKBJ-SQJMNOBHSA-N 402.877 5.148 50 1 HKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(CCC(C)C)c1C)CC2=O 587461204 QVOAQQTWLHDENK-DEOSSOPVSA-N 417.977 5.909 50 1 HKGF C[C@@H](Br)[C@@]1(c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587499603 NSVXIDDANNIOLE-LRTDBIEQSA-N 419.746 5.863 50 1 HKGF C[C@H](Cl)[C@]1(c2ccc(Cl)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587688338 LLAXCDIHKYBBMD-LIBAHTEVSA-N 417.149 5.647 50 1 HKGF N#CC1=C(Nc2ccccc2)SC=C(c2ccccc2)N=C1NCc1ccccc1 1653413 CIEQHAQRCYREHQ-UHFFFAOYSA-N 408.530 5.767 50 1 HKGF C=C1C(CCl)(CCl)[C@]2(Cl)[C@@H](Cl)[C@@H](Cl)[C@@]1(Cl)C2(Cl)Cl 169296425 OEJNXTAZZBRGDN-HSLWUYEYSA-N 411.798 5.378 50 1 HKGF CC[C@H](C)c1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587541497 CBOWWEKKLMFARG-HKFAVZMWSA-N 422.908 6.002 50 1 HKGF C[C@]1(c2ccc(CCCl)cc2)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962639384 LIFLIQTZVXUVCL-BDYUSTAISA-N 416.996 5.478 50 1 HKGF C=C1C[C@](C)(CCCCCCCCC=CC=Cc2ccccc2)OO[C@H]1CC(C)=O 2356838714 MCJQHCMNEVLPRM-SVBPBHIXSA-N 410.598 7.391 50 1 HKGF COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@@H](c2ccc4ccccc4c2)C3)cc1 64549174 KUDKUSIIILYPDS-NLFFAJNJSA-N 422.484 5.057 50 1 HKGF CCCc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587544612 OONXWVOHDRQVTB-XUZZJYLKSA-N 408.881 5.441 50 1 HKGF O=C(CCn1c2ccccc2c2ccccc21)N/N=C/c1cc(Cl)cc(Cl)c1 1857560024 HRVYHSZOVIIJMZ-AFUMVMLFSA-N 410.304 5.642 50 1 HKGF CC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C=O 2356559072 WJIRXBXHLMIPEE-UHFFFAOYSA-N 414.633 8.664 50 1 HKGF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C=C[C@@]4(OO)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 85478945 CUIXDAUTEMBARD-POBUXQGNSA-N 418.662 6.857 50 1 HKGF [C-]#[N+]C1=C(c2ccc(F)cc2)NC(C(F)F)=C(C#N)[C@H]1c1ccc2[nH]nc(C)c2c1 261088235 CYACZDGKXWSRQL-GOSISDBHSA-N 405.383 5.028 50 1 HKGF FS(F)(F)(F)(F)c1ccc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c2c1 587073024 CVFANNJMWCUBQG-UHFFFAOYSA-N 408.823 7.148 50 1 HKGF CC(C)(Br)[C@]1(CBr)NCCc2cc(-c3ccccc3)ccc21 962663514 GNMJDCUOUUYMPM-LJQANCHMSA-N 423.192 5.263 50 1 HKGF COC(=O)[C@H](C)[C@@H]1CC[C@](C)(CC[C@H]2[C@@]3(C)CCCC(C)(C)[C@H]3CC[C@@]2(C)O)OO1 2356516324 UKQQQFDVYRDSMR-UJJGKMETSA-N 424.622 5.439 50 1 HKGF C/C1=C\[C@H](OC(=O)NCCCl)C[C@](C)(O)/C=C\[C@H](C(C)C)CC/C(C)=C/CC1 169363996 ASERFLMHCJBCPH-VEDJLOPKSA-N 412.014 5.756 50 1 HKGF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@]34C=C[C@]5(C[C@@H](O)CC[C@]5(C)C3=CC[C@]12C)OO4 255262862 ROVBLBTUXSRVKA-JZDCBCHLSA-N 414.630 6.372 50 1 HKGF Cc1cc(/C=C(\C#N)c2nc3cccc(O)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587054693 HUFDKNRIMUALBM-XNTDXEJSSA-N 423.303 6.047 50 1 HKGF COc1cccc(-c2cc([C@@H](Cl)C(=O)C(F)(F)F)nc3c2oc2ccccc23)c1 587359363 FRTVTRQVSLGFHA-QGZVFWFLSA-N 419.786 6.068 50 1 HKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(C)c1F 587555158 FOABAYWQGXSOLO-XXBNENTESA-N 412.844 5.244 50 1 HKGF COc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1CCl 587684877 MOMVPGZITVKGTP-NSPYISDASA-N 412.730 5.133 50 1 HKGF CC(C)c1ccc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587688327 LJVYLWAHMVLARP-XCLFUZPHSA-N 410.758 5.728 50 1 HKGF CC1(C)[C@]2(Cl)[C@@H](Cl)[C@H](Cl)[C@](Cl)(C(Cl)Cl)[C@]1(Cl)[C@H]2Cl 169295409 DVEYBSZJQZPNLT-MWJDFCFNSA-N 413.814 5.599 50 1 HKGF C[C@H](Cl)C(=O)Nc1ccccc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587101688 KROMMQNPRUMIBS-AWEZNQCLSA-N 412.876 5.679 50 1 HKGF C[C@]1(c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)C=C(c2ccccc2F)NO1 587154703 GEXHFFDVISYPEA-QGZVFWFLSA-N 421.366 6.151 50 1 HKGF CC(=O)N[C@@H](Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)c1ccc(C)cc1 587216752 LFBPMAHKWWVYOU-INIZCTEOSA-N 419.419 5.949 50 1 HKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(-c3ccccn3)c1C)CC2=O 587459360 IDGZBEANZJKCPQ-DEOSSOPVSA-N 424.928 5.247 50 1 HKGF CC(C)[C@H](C)C=C[C@@H](C)[C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]23C=C[C@@]2(CCCC[C@]12C)OO3 2356337360 UCQJLPOKKJIZQU-VMNSYMLDSA-N 412.658 7.503 50 1 HKGF CC(=CCCC(C=O)=CC[C@H]1OC(=O)C=C1CO)CCC1=C(C)CCCC1(C)C 2356525322 NHOOOCVVBSQCQH-HSZRJFAPSA-N 400.559 5.379 50 1 HKGF O=C(N/N=C(\c1ccccc1)c1ccc2c(c1)CCCC2)c1cc2ccccc2cc1O 103234603 BDEIVRCXVOXKSO-ORIPQNMZSA-N 420.512 5.607 50 1 HKGF CCCCCOc1cc2nc(/C(C#N)=C\c3ccc(C)cc3)[nH]c2cc1Br 587189099 ZUPGWGMFYNNBQZ-BOPFTXTBSA-N 424.342 6.267 50 1 HKGF Cc1cc(C)c(C)c([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587688271 KOHGHVPXJBYMGF-YEJXKQKISA-N 424.785 5.838 50 1 HKGF O=C1C(O)=C([C@H](NCCCCl)c2ccc(Cl)cc2Cl)C(=O)c2ccccc21 653907657 YVCMISBYDAIGQF-QGZVFWFLSA-N 424.711 5.144 50 1 HKGF Cc1ccc2c([C@@]3(CCl)NCCc4cc(-c5ccccc5)ccc43)c(C)n(C)c2c1 962664968 JACLWPFBOOXLMW-MHZLTWQESA-N 414.980 6.090 50 1 HKGF C[C@H]1C[C@@](C)(C[C@H](C)CCCCCCC=Cc2ccccc2)OO[C@]1(O)CC(=O)O 2356421859 XKAQLEUZKCCIDB-RRJCBXKSSA-N 418.574 5.977 50 1 HKGF CC(=CCCc1coc(Cc2ccoc2)c1)CCC[C@H](C)CC(=O)[C@@H](O)[C@H](C)Cl 2356522871 XJDJFTYVYSQNPJ-JXQFQVJHSA-N 420.977 6.096 50 1 HKGF CCCN1[C@@H](C)Cc2ccccc2[C@]1(CBr)c1cccc(F)c1[N+](=O)[O-] 963244953 YMIHOZIUHWFOJU-VBKZILBWSA-N 421.310 5.029 50 1 HKGF CC(=O)CCCC(C)(C)C(=O)CCC(C)=CCC[C@]1(C)CC[C@H]([C@H](C)C(=O)O)OO1 2356409820 UCWHHFGTUDDROG-DCLXLUIPSA-N 424.578 5.438 50 1 HKGF C=C(c1ccc2ccc3ccccc3c2c1)[C@@H]1COC2(OO1)C1CC3CC(C1)CC2C3 43543962 BXAMLVRKECCHCS-HKEIJOOYSA-N 412.529 6.506 50 1 HKGF COC(=O)c1cc2nc(/C(C#N)=C/c3ccccc3)[nH]c2c(F)c1Nc1ccccc1 587188664 UMSHBGLPQLXWOV-FOWTUZBSSA-N 412.424 5.296 50 1 HKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(F)cc1F 587713712 CVSKHTAXRUPKSJ-YPMLDQLKSA-N 418.684 5.191 50 1 HKGF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC=C4C[C@H](OO)CC[C@]4(C)C3=CC[C@]21C 2356505440 FJKLGGRFXVSQLY-NYFOVLLSSA-N 410.642 7.748 50 1 HKGF Cc1cc(/C=C/C#N)cc(C)c1Oc1ccc([N+](=O)[O-])c(Nc2ccc(C#N)cc2)n1 66259659 ZDIKJXLFLHRULS-ONEGZZNKSA-N 411.421 5.551 50 1 HKGF CC[C@@]1(C)C[C@H]1c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 586892646 VKMZTCQGWSKLDJ-SDBXPKJASA-N 405.230 6.886 50 1 HKGF Cc1ccc(/C=C(/C#N)c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc1 587188125 OHIWIKYAYVXHKK-SDQBBNPISA-N 406.205 5.717 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)n(CCc3ccccc3)c1C)O2 587372343 KONFLGAFLVILOU-RUZDIDTESA-N 422.956 5.338 50 1 HKGF C=C1C[C@H](OC(=O)c2ccccc2)[C@@H]2[C@](C)(CO)CCC[C@]2(C)[C@@H]1CCC(C)=CC=O 2356482292 IQFDAOLIRBRVJU-XCYZDHOTSA-N 424.581 5.519 50 1 HKGF CC(C)[C@@H](C)C=CC[C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]23C=C[C@@]2(C[C@@H](O)CC[C@]12C)OO3 2356490332 DXBFOXLIWFGNBY-RUDDNHRDSA-N 414.630 6.228 50 1 HKGF CC(=O)O[C@H]1CC(C)(C)C(=C=CC(C)=CC=CC(C)=CC=CC=C(C)C=O)[C@](C)(O)C1 2356752838 VUTCKOBMFJDHLW-YTBLBVIYSA-N 424.581 5.721 50 1 HKGF COC(=O)C[C@@]1(O)CC[C@](C)(C[C@@H](C)CCCCCCCCc2ccccc2)OO1 49793108 RKKBSUNIELNFSG-FTBPSBKWSA-N 420.590 5.738 50 1 HKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cn(CCC#N)c3ccccc13)CC2=O 587460426 MPPGOMCSNIKJHT-XMMPIXPASA-N 422.912 5.313 50 1 HKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccccc1SC)CC2=O 587494342 WDOWTZSYCADWRN-FQEVSTJZSA-N 421.356 5.322 50 1 HKGF CCCN1[C@@H](C)Cc2ccccc2[C@]1(CCCCCCl)c1cccc([N+](=O)[O-])c1 963225801 GERIWFQMGFVSTM-CYFREDJKSA-N 414.977 6.294 50 1 HKGF CCCN1[C@H](C)Cc2ccccc2[C@@]1(CCCCCCl)c1cccc([N+](=O)[O-])c1 963225805 GERIWFQMGFVSTM-NTKDMRAZSA-N 414.977 6.294 50 1 HKGF CC(C)=CCCC(C)=CCCC(C)=CCCC(C=O)=CC[C@H](O)[C@@H]1CC(=O)OC1=O 2356418748 VMRVXHUEJXPHNA-GOTSBHOMSA-N 416.558 5.152 50 1 HKGF C[C@H]1CN(CCCn2c3ccccc3c3ccccc32)C[C@@H](C)N1CCCN=C=S 22938895 RXCZIMJGLPSJGI-OYRHEFFESA-N 420.626 5.072 50 1 HKGF CCO/C=N/C1=C(C#N)[C@@H](c2ccc(Cl)cc2)c2ccc(N(CC)CC)cc2O1 66077140 VIZMSOCLYZLGAT-WGLQLPMYSA-N 409.917 5.510 50 1 HKGF C=C[C@@]1(C)C=C2CC[C@H]3[C@](C)(C(=O)Oc4ccc([N+](=O)[O-])cc4)CCC[C@]3(C)[C@H]2CC1 135812586 YLCYEPJEDYBKRZ-OQMPRARUSA-N 423.553 6.635 50 1 HKGF CC(C)=CCC/C(C=O)=C\CC/C(C)=C\CC/C(C)=C\CC1=CC(=O)C=C(C)C1=O 207854600 LBHIBZMBLXNKLE-YOMBMQPVSA-N 408.582 6.726 50 1 HKGF Cc1[nH]c(C(=O)CCl)c(C)c1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587101672 JLMALMMVBVLGDO-UHFFFAOYSA-N 400.865 5.480 50 1 HKGF Cl[C@H]1[C@@H]2[C@@H](C[C@H]1Cl)[C@@]1(Cl)[C@H](Cl)[C@H](Cl)[C@@]2(Cl)C1(Cl)Cl 169365323 AHDSBZOIXGOWCI-BUPRKPKPSA-N 411.798 5.208 50 1 HKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc3c(c2)CCCC3)N1 587685325 PQXQDVRAJWRTSX-ASSNKEHSSA-N 422.769 5.484 50 1 HKGF C[C@H](Cl)[C@@]1(c2c[nH]c3ccccc23)N[C@H](C)Cc2ccc(F)c(Br)c21 587686946 DORLUAGOJAKJOG-JGRMJRGVSA-N 421.741 5.475 50 1 HKGF CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H](CC#N)[C@@](C)(CBr)CC[C@@H]32)C1 653766334 OSUUFIUIGMABFV-ZWJSTQBLSA-N 408.380 5.396 50 1 HKGF CCCN1[C@H](C)Cc2ccccc2[C@@]1(c1c[nH]c2ccccc12)[C@H](C)Br 963234714 VKYDNKGQTQYDDQ-SAHWJRBASA-N 411.387 5.852 50 1 HKGF C[C@@H](Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)N(C)C 587192312 TWVSVXCSZGXQBA-ZETCQYMHSA-N 408.234 5.475 50 1 HKGF Cc1cccc2[nH]cc([C@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c12 587543835 LUCNCWQUEZIXHB-URXFXBBRSA-N 419.864 5.278 50 1 HKGF COC(=O)[C@@H](C)[C@H]1CC[C@](C)(CC/C=C(\C)CC[C@]2(O)[C@@H](C)CCCC2(C)C)OO1 653730222 LGYQILBHOGDNJU-NVVSDRPTSA-N 424.622 5.749 50 1 HKGF CCCN1[C@@H](C)Cc2ccccc2[C@]1(Cn1cccc1C=C(C#N)C#N)c1ccccc1 963243316 RRCFNIPXVGYBQV-DWACAAAGSA-N 420.560 5.519 50 1 HKGF CCCCC/C=C\C[C@H](O[Si](C)(C)C)[C@H](CCCCCCCC(=O)OC)OC 238759211 NVKODTLOGVHURD-HMLINFKKSA-N 414.703 6.652 50 1 HKGF CCCCCOc1cc2nc(/C(C#N)=C\c3ccccc3)[nH]c2cc1Br 587188644 UPFUUPNWWSZWCP-WJDWOHSUSA-N 410.315 5.959 50 1 HKGF O=C1c2ccc(O)cc2O[C@]2([C@@H](Cl)CCCCC[C@H]2Cl)[C@H]1c1ccc(F)cc1 587330225 NDSSJXFGKXTNBJ-IIZPIQPGSA-N 423.311 5.808 50 1 HKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2c[nH]c3ccccc23)N1 587682412 CCHLFROILWJEFB-JEOXALJRSA-N 407.714 5.086 50 1 HKGF ClC[C@@]1(c2cc(Cl)sc2Cl)c2ccsc2CCN1Cc1ccco1 962714189 VJKOQDVCYXAFPI-KRWDZBQOSA-N 418.798 6.250 50 1 HKGF C[C@@H]1CC[C@H]2[C@@H](CCCc3cc(F)cc(F)c3)CO[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 43888572 KATRUVZVRWNMRM-BUWGCFOHSA-N 408.485 5.150 50 1 HKGF O=C(O)/C=C/C=C/c1nc2c(Br)cc(S(F)(F)(F)(F)F)cc2[nH]1 587968204 LRJPMWSVLKKDSX-ZPUQHVIOSA-N 419.169 5.637 50 1 HKGF CC1=C(/C=C/C(C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(/C)C=O)C(C)(C)CCC1 13371162 DFMMVLFMMAQXHZ-IPIGPKAOSA-N 416.649 8.722 50 1 HKGF endogenous,in-man CC(C)(C)C(=O)Nc1cccc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1 587241957 LYQPRDYRCOMVPB-UHFFFAOYSA-N 419.419 6.872 50 1 HKGF O=C1c2ccc(O)cc2O[C@]2(CCCCC[C@H]2Br)[C@@H]1c1ccc(F)cc1 587321773 FHQUOUVTLKGBFI-SBHAEUEKSA-N 419.290 5.357 50 1 HKGF O=C1c2ccc(O)cc2O[C@](CBr)(C2CCCC2)[C@@H]1c1ccc(F)cc1 587324288 XMKPQNCRHSEOHE-TZIWHRDSSA-N 419.290 5.214 50 1 HKGF O=C1c2ccc(O)cc2O[C@](CCl)(c2cccc3cc[nH]c23)[C@@H]1c1ccc(F)cc1 587325399 DVKJLJXAOJISKB-ZJSXRUAMSA-N 421.855 5.506 50 1 HKGF C[C@]1(c2cccc(/C=C\C=O)c2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587333295 NCUYKTKALUPZLA-AISIFDQUSA-N 420.411 5.157 50 1 HKGF C[C@H](Br)[C@@]1(c2ccccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587502093 IERWNIHCYDNDSD-YEJXKQKISA-N 403.291 5.349 50 1 HKGF CCCCCC[C@]1(CBr)N[C@@H](C)Cc2cc(Br)c(F)cc21 587673274 LVNKKVHVEHZJLX-YVEFUNNKSA-N 421.192 5.683 50 1 HKGF C[C@@]1(c2cccc(Cl)c2)CC(c2cccc(Cl)c2)=C(C#N)C(=C(C#N)C#N)N1 1864093 XMBSJVOSFHLREE-QFIPXVFZSA-N 405.288 5.481 50 1 HKGF COC(=O)C[C@@]1(C)C[C@](C)(C[C@H](C)CCCCCCCCc2ccccc2)OO1 42876221 TWGPUNAPRZRUAG-ZODMCCGTSA-N 404.591 6.418 50 1 HKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(C)c(F)c1)CC2=O 587467450 SFUQVWWWJIZFJY-FQEVSTJZSA-N 407.279 5.048 50 1 HKGF Cc1cccc(-c2ccccc2)c1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 586878431 HLHSJSFGVVDLFW-UHFFFAOYSA-N 410.411 7.863 50 1 HKGF FS(F)(F)(F)(F)c1ccc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1 587041636 OFIGLPQTLYJJBL-HZPDHXFCSA-N 421.460 6.167 50 1 HKGF N#CSC[C@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587340279 XOOIXVBJJZUUTA-JTHBVZDNSA-N 423.440 5.139 50 1 HKGF CCCc1c(O)ccc2c1O[C@@](c1cccc(C)c1)([C@H](C)Br)CC2=O 587457451 ZSTZODDZNMBEPC-LHSJRXKWSA-N 403.316 5.297 50 1 HKGF CCOC(=O)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1CCCCCl 587626735 VMQHOVXLNKFEPC-UHFFFAOYSA-N 415.761 5.944 50 1 HKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)([C@@H](C)Cl)N1 587733229 QAOMDHQVTRKLIU-PJYBLOJUSA-N 400.694 5.132 50 1 HKGF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3C[C@@H](C)[C@]2(OO)C(C)=O)C1 2356737729 SZGJLABGQCABNH-NZINOJMGSA-N 406.563 5.024 50 1 HKGF O=C1c2ccc(O)cc2O[C@](CCCl)(c2cccs2)[C@H]1c1ccc(F)cc1 587378389 UYGZQDHUOPXUCS-PZJWPPBQSA-N 402.874 5.476 50 1 HKGF Cc1cc(C)c([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1C 587689321 RRHZBCBFTSJUOT-YEJXKQKISA-N 424.785 5.838 50 1 HKGF C[C@@H](C[C@@H](c1nccs1)[C@@H](C)C(=O)C[C@@H](C)C(Cl)Cl)C(Cl)Cl 2356827392 HQFFUEINDWYIBI-LNFKQOIKSA-N 405.218 6.092 50 1 HKGF C=C(CCC1=C(C)CCCC1(C)C)[C@H](O)CC[C@]1(C)CC[C@H]([C@H](C)C(=O)OC)OO1 621430857 BPXMABUZGFJCPY-SCIUHPPWSA-N 422.606 5.669 50 1 HKGF O=C(N/N=C/c1ccc(Cl)c(Cl)c1)c1cc(-c2ccc(F)cc2F)ccc1O 221337873 BHTRQMHEMPILLD-KIBLKLHPSA-N 421.230 5.408 50 1 HKGF CCCCCCCCCCCCC/C=C(/C=O)CCCCCCCCCCCCC 238739422 QJYTWABGECOJNS-ORIPQNMZSA-N 420.766 10.514 50 1 HKGF O=C1C[C@@](CCl)(c2cc3c4c(c2)cc(O)n4CCC3)Oc2c1ccc1c2CCCC1 587496762 FNLISAQRHCFIQX-RUZDIDTESA-N 421.924 5.271 50 1 HKGF CC[C@@H](C)c1ccc2[nH]c(-c3ccccc3Br)c(NC(=O)CCl)c2c1 587638218 DBLBMVVIYSORHA-GFCCVEGCSA-N 419.750 6.288 50 1 HKGF COc1ccc([C@]2([C@@H](C)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587687784 HYYWDVLGWZMHTK-CLUVUEOHSA-N 412.730 5.002 50 1 HKGF C=C(CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3C(C=O)=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C)C(C)C 2356572366 ZGCGMYXRXTYHNJ-HIWXUQJISA-N 412.658 6.734 50 1 HKGF N#C/C(=C(/N)Sc1ccccc1N)c1cccc([C@@H](O)c2cccc3ccccc23)c1 38145336 SRSMMXNTIGLKAU-HRNPCJQISA-N 423.541 5.447 50 1 HKGF CCCCOc1cc2nc(CCCCBr)[nH]c2cc1Br 586972357 NOEQKIYCYUMIEH-UHFFFAOYSA-N 404.146 5.222 50 1 HKGF C[C@H](c1ccc(CBr)cc1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 586974693 YOCCPYASXBHTEL-SSDOTTSWSA-N 419.632 5.023 50 1 HKGF FC(F)(F)OCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587125087 PEXYVXUQDRZIRX-UHFFFAOYSA-N 421.107 6.019 50 1 HKGF O=C1c2ccc(O)cc2O[C@@](CCl)(C2CCC(F)(F)CC2)[C@H]1c1ccc(F)cc1 587330407 HHCZFWPSWWTVTA-UGKGYDQZSA-N 424.846 5.693 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1cc(C)n(Cc3ccco3)c1C)([C@@H](C)Cl)O2 587373798 SVGGJTJOYGCYKR-WAIKUNEKSA-N 412.917 5.125 50 1 HKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12[C@@H](Cl)CCCCC[C@@H]2Cl 587547078 LEBZXDRJSVLXFB-BZSNNMDCSA-N 407.293 5.272 50 1 HKGF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC=C4C[C@H](OO)CC[C@]4(C)[C@@H]3CC[C@]21C 2356512928 LESGHGUKCRHTCP-PNWCWFPHSA-N 412.658 7.828 50 1 HKGF O=C1C[C@](c2ccccc2)([C@H](Cl)c2ccccc2)Oc2c1ccc1c2CCCC1 587500234 ZICWHHFSGBJNPI-FTJBHMTQSA-N 402.921 6.406 50 1 HKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc3nc(CCl)oc23)N1 587685446 QUHXGOHTDSRTOW-APBUJDDRSA-N 423.713 5.266 50 1 HKGF Fc1cc(S(F)(F)(F)(F)F)ccc1[C@@H]1c2c(F)cccc2C[C@@H]2CCCN21 963106827 NYTLYZOQKZWVKZ-KPZWWZAWSA-N 411.386 6.732 50 1 HKGF COC(=O)[C@H](C)[C@@H]1CC[C@](C)(CCC=C(C)CCC2=C(C)CCCC2(C)C)OO1 2356455865 KGRANTXTMXDAIF-KJWPAHLWSA-N 406.607 6.698 50 1 HKGF CC1=C(CC/C(C)=C\CC/C(C=O)=C/C[C@@H](O)C2=CC(=O)OC2)C(C)(C)CCC1 238758282 CVXAFDSSBXFDSR-DMEKETJISA-N 400.559 5.379 50 1 HKGF C[C@@H](c1ccc(CBr)cc1)c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 586972952 DBOIJHMBZDDQER-JTQLQIEISA-N 408.221 5.500 50 1 HKGF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCCCBr)cc1)CC2=O 587455773 FRCNUHFPXYJYQL-HXUWFJFHSA-N 419.315 5.215 50 1 HKGF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]23C=C[C@@]2(CCCC[C@]12C)OO3 2356337359 UCQJLPOKKJIZQU-KMSAMVNRSA-N 412.658 7.503 50 1 HKGF CC(C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@]34C=C[C@]5(C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@]12C)OO4 255222621 KHLDJVKLPVTEEX-FUDSXMKLSA-N 400.603 5.838 50 1 HKGF CC(=O)N(N=Nc1c(Cl)cccc1Cl)c1cc(C(F)(F)F)ccc1C#N 299805858 PEJJLDOATOKTGK-UHFFFAOYSA-N 401.175 5.936 50 1 HKGF O=C1c2ccccc2-c2cc(-c3cc(F)cc(CCl)c3O)nc3ccc(O)c1c23 586987133 AOYHSMNGRFWNRX-UHFFFAOYSA-N 405.812 5.402 50 1 HKGF CC(C)c1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587327664 QPIRBHDRHYTDFX-UKILVPOCSA-N 424.899 6.148 50 1 HKGF CCCCCCCCCCCCCCOc1ccc(/C=C/C(=O)OCCCl)cc1 43911040 VFFJBSALEIBPBT-KNTRCKAVSA-N 423.037 7.562 50 1 HKGF COc1ccc(COc2ccc(Br)cc2-c2cc(CCl)on2)cc1 13536302 BLQJSTICERNURY-UHFFFAOYSA-N 408.679 5.431 50 1 HKGF C[C@]1(CCCCCCCCCCCCc2ccccc2)C[C@]2(C)OC(=O)C[C@@H]2OO1 96086016 CEXBAUGPNZWHBZ-RNXOBYDBSA-N 416.602 6.705 50 1 HKGF in-vitro C=C1CC[C@H](OO)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)/C=C/[C@H](C)C(C)C 238754224 UZDFTFHQIQFFDP-RKHKHRCZSA-N 412.658 8.138 50 1 HKGF CC(C)C/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@]34C=C[C@]5(C[C@@H](O)CC[C@]5(C)C3=CC[C@@]21C)OO4 255201575 CAUMZAZCOGASOU-HJFKCSCISA-N 412.614 6.148 50 1 HKGF Cc1ccc([C@@]2(CSC#N)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587371039 ZQBLZWVGDQGHLK-LADGPHEKSA-N 419.477 5.308 50 1 HKGF Cc1[nH]c2ccccc2c1[C@]1(CBr)CC(=O)c2ccc3c(c2O1)CCCC3 587497618 DBORLJYERQTFKE-HSZRJFAPSA-N 424.338 5.611 50 1 HKGF N#C/C(=C\c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)c1nc2ccccc2s1 6410333 HBVLYYHYHDYEOT-FMIVXFBMSA-N 407.838 6.182 50 1 HKGF N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)N[C@@H](c1ccccc1)C1CC1 73142242 FCVRHMFMTPTBFH-YHSGTQGLSA-N 413.433 5.029 50 1 HKGF O=C(N/N=C/c1ccc(Br)cc1)c1ccc(-c2ccccc2Cl)o1 103210263 XTPJRZYBKDMVEG-SRZZPIQSSA-N 403.663 5.126 50 1 HKGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](CBr)(c2c(F)cccc2Cl)N1 962949262 LBWCGTDENSCVKO-ODXCJYRJSA-N 421.741 5.523 50 1 HKGF C=C(C=O)CC[C@@H]1C(=C)C[C@@H](OC(=O)c2ccccc2)[C@@H]2[C@](C)(C(=O)O)CCC[C@@]21C 38653543 NTDJBAOUNYDJKY-HRNWHPSISA-N 424.537 5.221 50 1 HKGF O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(C(Cl)Cl)[C@@H]1c1ccc(F)cc1 587325802 ZHRJKDGQRJOQHC-DENIHFKCSA-N 417.263 5.589 50 1 HKGF O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc3c(c2)COC3)[C@@H]1c1ccc(F)cc1 587330034 ZXAUJYJEMMEXOT-ISKFKSNPSA-N 424.855 5.055 50 1 HKGF CCCc1c(O)ccc2c1O[C@@](CCCl)(c1ccc(Cl)c(Cl)c1)CC2=O 587460587 NPKBNZQIJMYFME-HXUWFJFHSA-N 413.728 6.141 50 1 HKGF O=C1C[C@](c2ccccc2)(c2ccc(CCl)cc2)Oc2c1ccc1c2CCCC1 587498919 QOQZPYBCTULQRS-SANMLTNESA-N 402.921 6.213 50 1 HKGF Cc1ccc([C@]2([C@H](C)Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C 587546884 YQAHUTGUHYSIDH-SWDVRCMSSA-N 408.881 5.493 50 1 HKGF N#CSC[C@]1(c2ccccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587609378 VFTIKJZTYBXCHU-SIKLNZKXSA-N 423.877 5.117 50 1 HKGF CCCCCCCC[P+](Cc1ccccc1O)(c1ccccc1)c1ccccc1 1911577267 SYAQIAALRQOCPY-UHFFFAOYSA-O 405.542 6.921 50 1 HKGF C=C(Cl)[C@](Br)(CCl)CC[C@H](Br)C(C)(C)Cl 1638686 ODSBJZRNTONBMP-WCBMZHEXSA-N 401.397 5.673 50 1 HKGF C=C(c1ccc2c(ccc3ccccc32)c1)[C@H]1COC2(OO1)C1CC3CC(C1)CC2C3 43543965 LBHNCRWJBHTCBE-UMSNEJTHSA-N 412.529 6.506 50 1 HKGF C[C@@H]1[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@]2(C)CC(=O)C[C@]12C 221739561 BNMZCBZDVVDLIH-PBBMNAFMSA-N 420.669 5.347 50 1 HKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(CBr)c2)N1 587673220 LLYWRWAUUFBTHD-QGHHPUGFSA-N 413.128 5.107 50 1 HKGF CSc1ccc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587846731 REMAUQTVAZISQX-BBATYDOGSA-N 414.771 5.327 50 1 HKGF COC(=O)C[C@]1(C)C[C@@](C)(C[C@@H](C)CC/C=C/CC/C=C/c2ccccc2)OO1 44431182 GHRPFHNYOPGKTO-DNKXTAGXSA-N 400.559 6.275 50 1 HKGF Cc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C 587329301 XSAQNJHISVAJJN-ISKFKSNPSA-N 410.872 5.641 50 1 HKGF COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OCCCCl 587499968 WYOZEEKVBJACGK-NRFANRHFSA-N 400.902 5.288 50 1 HKGF C[C@H]1C[C@@](C)(C[C@H](C)CCCCCCC=Cc2ccccc2)OO[C@@]1(O)CC(=O)O 2356421860 XKAQLEUZKCCIDB-WIVXBSKCSA-N 418.574 5.977 50 1 HKGF CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)O[C@@](C)(CC/C=C\C#N)[C@H]3CC[C@@]21C 13781999 PIKMPFHAGPWQAM-VBQUZRCESA-N 413.646 7.073 50 1 HKGF C=C(CC[C@H](O)c1cccc2ccccc12)[C@H]1COC2(OO1)C1CC3CC(C1)CC2C3 43356577 FCPIHJXDTTUQSS-WVXRVSGSSA-N 420.549 5.709 50 1 HKGF C[C@H](Cl)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 84669502 YPBFNQUIPOQWQC-UCLPNMONSA-N 405.066 7.568 50 1 HKGF N#C/C(=C\c1ccccc1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 587188534 SGWGRCONXWHTIB-IZZDOVSWSA-N 408.177 5.288 50 1 HKGF O=C1C[C@@](CCCBr)(c2ccc(F)cc2)Oc2c1ccc1c2CCCC1 587503064 KQIVIMQATMBEOG-QFIPXVFZSA-N 417.318 5.740 50 1 HKGF C=C(CCC1=C(C)CCCC1(C)C)[C@H](O)CC[C@]1(C)CC[C@@H]([C@H](C)C(=O)OC)OO1 621430859 BPXMABUZGFJCPY-XIXAVDCQSA-N 422.606 5.669 50 1 HKGF CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C/C=C/CCCBr)cc1OC2(C)C 27747512 JXQDCHGSXWEBFI-UUOJUMCQSA-N 405.376 6.277 50 1 HKGF C/C1=C/CC/C(C)=C/[C@H](OC(=O)NCCCl)C[C@@](C)(O)/C=C\[C@H](C(C)C)CC1 169364581 ASERFLMHCJBCPH-SDHRZXRNSA-N 412.014 5.756 50 1 HKGF O=C1c2ccc(O)cc2O[C@](CCl)([C@@H]2C[C@H]3CC[C@H]2C3)[C@@H]1c1ccc(F)cc1 587328792 VPHWBRMZZFLEIA-PFGRWTDPSA-N 400.877 5.304 50 1 HKGF CC=C(C)[C@@H]1[C@H](C=CC=C(C)C(=O)CC)[C@@H]2C[C@H](Cl)[C@](C)(O)C[C@@H]2[C@H]2O[C@@]12C 2356546648 PHSSIDQQMMOHAI-DBCHNHPCSA-N 406.994 5.222 50 1 HKGF N#CC1=C(SCC(=O)Nc2cccc(F)c2)N=C2CCCC(O)=C2[C@@H]1c1ccco1 13080682 KXZPCSAJVGEBEH-FQEVSTJZSA-N 423.469 5.060 50 1 HKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(Cl)sc1Cl)CC2=O 587489282 CANZFMYPACEHSV-QGZVFWFLSA-N 405.730 5.813 50 1 HKGF Cc1cc([C@]2(CCCCl)N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)ccc1F 962731946 VBJCULKGZFVRMX-ICSRJNTNSA-N 413.842 5.042 50 1 HKGF C/C(=C\CCc1coc(Cc2ccoc2)c1)CCC[C@@H](C)CC(=O)[C@H](O)[C@@H](C)Cl 101573166 XJDJFTYVYSQNPJ-XLAUCCSISA-N 420.977 6.096 50 1 HKGF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)C#C[Si](C)(C)CCl 195477494 KWAVQIFCWVDBRD-MHMIHQHRSA-N 403.038 5.008 50 1 HKGF CC1(C)O[C@](C)([C@H]2CC[C@@](C)(Br)[C@H](Cl)C2)CC[C@H]1Br 238773952 FGWVVJIZZSRMKT-PRSHDEELSA-N 416.625 5.659 50 1 HKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccccc1Cl)CC2=O 587456945 SUEGJWQILSRZDE-LJQANCHMSA-N 409.707 5.254 50 1 HKGF Cc1ccc(C)c([C@]2([C@H](C)Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587544546 OJFVSHIRCVEDEF-FBOFTVOISA-N 408.881 5.493 50 1 HKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ccc(Cl)s1 587614171 RARGBQPLIPYCMF-QFBILLFUSA-N 407.274 5.203 50 1 HKGF CCCN1[C@H](C)Cc2ccccc2[C@@]1(C)c1oc2ccccc2c1NC(=O)CCl 963242979 QVAZIISAFPRCFL-GYCJOSAFSA-N 410.945 5.530 50 1 HKGF C=C1CCC=C(C)C[C@@H](OC(=O)C=Cc2ccc(O)cc2)CC(C)(C)C[C@H]1OO 2356521466 ZDRHNSQPEYXBDI-FGZHOGPDSA-N 400.515 5.668 50 1 HKGF CC=C(C)[C@@H]1[C@H](C=CC=C(C)C(=O)CC)[C@@H]2C[C@H](Cl)[C@](C)(O)C[C@@H]2[C@@H]2O[C@]21C 2356546652 PHSSIDQQMMOHAI-WJFBPCHCSA-N 406.994 5.222 50 1 HKGF CC(=O)O[C@]1(C)[C@H]2CC=C(C=O)[C@H]1[C@](C)([C@H](C)CCC=C(C)C)[C@H](C(C)=O)CC2 2356632207 HPSPFNDWQCDWLW-BCBVFUPDSA-N 402.575 5.457 50 1 HKGF O=C1c2ccc(O)cc2O[C@](CCCl)(c2cccs2)[C@@H]1c1ccc(F)cc1 587378391 UYGZQDHUOPXUCS-TZIWHRDSSA-N 402.874 5.476 50 1 HKGF CCCCCCCCc1ccc(-c2[nH]c3ccc([C@@H](C)CC)cc3c2CCl)cc1 587637870 AXQQUXJQYJYPPT-FQEVSTJZSA-N 410.045 8.990 50 1 HKGF FC(F)(F)c1ccc([C@]2(CCl)NCCc3cccc(-c4ccccc4)c32)cc1 962664164 FWYXEZGNURWHKG-QFIPXVFZSA-N 401.859 6.001 50 1 HKGF ClC[C@H](Cl)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 587007505 DOFCOIFJDCKCOM-LBPRGKRZSA-N 400.103 5.423 50 1 HKGF C[C@]1(c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 587175314 YAPYWFYASMYRBZ-QGZVFWFLSA-N 422.350 5.988 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(CC(C)C)cc1)([C@H](C)Br)O2 587374176 OJJDZXPXWFRHGT-NYHFZMIOSA-N 416.359 5.420 50 1 HKGF COc1cc2c3c(c1)O[C@](c1ccc(C(C)C)cc1C(C)C)([C@H](C)Cl)[C@@H](C2)C3=O 587416956 GVVROYDEAXGCFD-PUAZMWONSA-N 412.957 6.212 50 1 HKGF N#C[C@@H](c1nc2ccccc2s1)[C@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 587534777 FOJPMQCHPORTLI-GAJHUEQPSA-N 422.937 5.425 50 1 HKGF O=C1CCCN1c1ccc([C@]2(CCl)NCCc3cc(-c4ccccc4)ccc32)cc1 962667380 LOEPBNJGGUARLD-SANMLTNESA-N 416.952 5.109 50 1 HKGF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(N(CCCl)CCCl)cc2)N1 962953261 QNLMHJNPONDCPG-HTAPYJJXSA-N 416.396 5.466 50 1 HKGF C#CC=CC[C@@H]1O[C@H](CC=C(Br)CC)[C@@H](Br)C[C@H]1Cl 2356455964 NZHWXNQBZKBACG-YJNKXOJESA-N 410.577 5.173 50 1 HKGF N#CC1=C(N)Oc2c(ccc3ccccc23)[C@H]1c1cccc(C#CC2(O)CCCCC2)c1 73164362 NWOVRWFMJRQQFW-RUZDIDTESA-N 420.512 5.105 50 1 HKGF Cc1cccc2[nH]cc([C@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)c12 587683971 IQTXUCVWRXRBHW-MPBGBICISA-N 421.741 5.395 50 1 HKGF C[C@@]1(c2ccc(CCCl)cc2)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962639375 LIFLIQTZVXUVCL-AHKZPQOWSA-N 416.996 5.478 50 1 HKGF O=C(Cl)c1ccc(-c2ccc(C(=O)c3coc4cc([N+](=O)[O-])ccc34)cc2)cc1 587279333 GHYHCHUZACZXMZ-UHFFFAOYSA-N 405.793 5.618 50 1 HKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCCCCl)cc2)N1 587682461 CKODQUFCIICGFM-BUXKBTBVSA-N 412.730 5.220 50 1 HKGF CCc1ccccc1S/C(N)=C(C#N)/C(C#N)=C(\N)Sc1ccccc1CC 40460591 XKZPSKDOIPXCHE-KSTNYAOJSA-N 406.580 5.084 50 1 HKGF Cc1[nH]c2ccccc2c1[C@@]1(CBr)CC(=O)c2ccc3c(c2O1)CCCC3 587497621 DBORLJYERQTFKE-QHCPKHFHSA-N 424.338 5.611 50 1 HKGF C[C@]1(CCCCCCCCCCC=Cc2ccccc2)C[C@@]2(C)OC(=O)C[C@@H]2OO1 2356398309 PVHBSURZEKXSCP-AYRHNUGRSA-N 414.586 6.786 50 1 HKGF CC(C=CC=O)=CC=CC=C(C)C=CC=C(C)C=C[C@@]1(O)C(C)(C)CCC[C@]1(C)O 2356558687 IZEAIVHGGJUWLL-RRPNLBNLSA-N 410.598 5.941 50 1 HKGF Cc1cc(/C=C(\C#N)c2nc3ccnc(O)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587056336 PEYXNFGWDHGUHD-NTEUORMPSA-N 424.291 5.442 50 1 HKGF O=C(Cl)c1ccc(Oc2ccc(C(=O)c3coc4cc([N+](=O)[O-])ccc34)cc2)cc1 587279355 GRIPSCDIVAPRCZ-UHFFFAOYSA-N 421.792 5.743 50 1 HKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(F)c(Cl)c2)N1 587719528 PUWBMSAOXGUHGL-VVVCHXIZSA-N 421.112 5.397 50 1 HKGF COc1ccc(Cl)cc1C#Cc1ccc(/C(C#N)=C/c2ccccc2Cl)cc1 587906191 UHBLZBRSBGWWRI-KGENOOAVSA-N 404.296 6.466 50 1 HKGF CCCN1[C@H](C)Cc2ccccc2[C@]1(c1cccc(Cl)c1)[C@H](C)Br 963226132 GQCREYSCMFFFDC-VWKPWSFCSA-N 406.795 6.024 50 1 HKGF C[C@H](CC[C@H]1C(C)(C)[C@H]2CC[C@@]1(C)O2)[C@@H]1CC[C@](C)(Cl)[C@H](Br)[C@@H]1O 2356807596 XXELFHDLURVSLJ-SNVORDJASA-N 421.847 5.528 50 1 HKGF O=C(CCCl)Nc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 587104273 QUVTZAIPAZQKQH-UHFFFAOYSA-N 412.876 5.681 50 1 HKGF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)[C@@H](Cl)CCCCCCCCC[C@H]2Cl 587503833 ZOLMMGPJIWGMFN-ACHVPNTGSA-N 423.424 7.009 50 1 HKGF CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]13C(=O)[C@H]4[C@@H](C[C@H]21)[C@]4(C)[C@H]3I 101082804 CCHKZAQBAZDQQK-UPBCCDENSA-N 412.355 5.258 50 1 HKGF C[C@H](c1ccc(CBr)cc1)c1nc2ccc(Sc3ccccc3)cc2[nH]1 586973820 OXPVEBDZJVEART-OAHLLOKOSA-N 423.379 6.761 50 1 HKGF CC(=O)N[C@H](Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)c1ccc(C)cc1 587216753 LFBPMAHKWWVYOU-MRXNPFEDSA-N 419.419 5.949 50 1 HKGF Cc1ccc([C@]2([C@H](C)Br)c3c(F)cccc3C[C@@H]3CCCN32)cc1Cl 963097659 HDFQAEXNZKRQRJ-XXHMAFKTSA-N 422.769 5.835 50 1 HKGF C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(O)C#CCCBr 13649414 BVIHSXRKLYFXSS-PDFLQEANSA-N 421.419 5.118 50 1 HKGF CC1=C(C#N)[C@@H](c2ccc(N(C)C)cc2)C2=C(O)C[C@H](c3ccc(Cl)cc3)CC2=N1 103523701 ZSMIGQDWFQMXAP-HOYKHHGWSA-N 417.940 6.131 50 1 HKGF C=C[C@](C)(O)CC[C@@H]1C(=C)CC[C@H](Br)[C@@]1(C)CC[C@H](OC)C(C)(C)O 473123381 LOLLYCOUYMZRJI-JOTVOLILSA-N 417.428 5.006 50 1 HKGF COc1cc2c3c(c1)O[C@](CCCCl)(c1ccc(Br)cc1)[C@@H](C2)C3=O 587416827 GHOFOBBIHLYMSL-OXJNMPFZSA-N 421.718 5.120 50 1 HKGF Cc1c(C)c2c(c(CNC(=O)CCCC[C@@H]3CCSS3)c1O)CCC(C)(C)O2 45340309 PRQINMIPNNMLCV-MRXNPFEDSA-N 423.644 5.443 50 1 HKGF Cc1ccc(Oc2nc3ccccc3cc2[C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1 98081861 HPHGKUSOYSYKRI-QHCPKHFHSA-N 423.472 5.150 50 1 HKGF N#CC1=C(/N=C/c2ccccc2)Oc2c(ccc3cccnc23)[C@@H]1c1ccc(Cl)cc1 103186045 VXUGQXIIFYBOII-KIZAIXKYSA-N 421.887 6.267 50 1 HKGF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@]2(CCl)Cc1ccc(Br)cc1 963096530 DWIVRBUTENPYQU-ICSRJNTNSA-N 408.742 5.286 50 1 HKGF c1csc(P(CCP(c2cccs2)c2cccs2)c2cccs2)c1 43242486 XOBXDKKTLAHVKM-UHFFFAOYSA-N 422.542 5.498 50 1 HKGF COC(=O)[C@@H](C)[C@H]1CC[C@](C)(CCC/C(C)=C/C[C@H]2C(C)=CCCC2(C)C)OO1 43544049 GTRMWSMRZUVWBH-KHGIXOPISA-N 406.607 6.554 50 1 HKGF Cc1cc(C)c(C)c([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587543185 JVMPVIDBYAXJLD-DHLKQENFSA-N 422.908 5.722 50 1 HKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCCl)(c2ccccc2F)N1 587724923 AFMWZDNSABJPDF-VOJFVSQTSA-N 400.694 5.134 50 1 HKGF CCCCCCCC/C=C\CCCCCCCC(=O)NCc1ccc(B(O)O)cc1 653710245 FOKWSWNIPQOPSU-KTKRTIGZSA-N 415.427 5.020 50 1 HKGF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](CCCCCl)(c2ccc([N+](=O)[O-])cc2)N1 962947981 CXQYEPDJFUMRJO-GAJHUEQPSA-N 411.933 5.653 50 1 HKGF C=CC(C)(C)c1[nH]c2cccc3c2c1[C@@H]1[C@H](C[C@H](Cl)[C@@](C)(C=C)[C@@H]1N=C)C3(C)C 2356581798 KVKHZNMECJZECY-OHRYBWMRSA-N 409.017 6.895 50 1 HKGF COC(=O)[C@H](C)[C@@H]1CC[C@@](C)(CCC=C(C)CCC2=C(C)C(=O)CCC2(C)C)OO1 2356729370 CAFIDQGCHNMPFD-RZTXVSJASA-N 420.590 5.877 50 1 HKGF C[C@@H]1CC[C@H]2[C@@H](CCCc3ccc(Cl)cc3)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]32OO4 195293227 PVKNOCBVDQYQDN-XKMWIMORSA-N 420.933 5.051 50 1 HKGF BrCc1[nH]c2c(c(Br)cc3n[nH]cc32)c1-c1ccccc1 587620870 IPAZPWWBWCNDPO-UHFFFAOYSA-N 405.093 5.369 50 1 HKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c(C)c1C 587688705 NIEVGGMJTXOJBH-QKVFXAPYSA-N 424.785 5.838 50 1 HKGF CCCCC(CCCC)N(NC(=O)c1ccccc1Cl)C(=O)c1ccc(F)cc1 43020701 QEFZXIBLJLSJFU-UHFFFAOYSA-N 418.940 6.015 50 1 HKGF C/C(=C\CCc1coc(Cc2ccoc2)c1)CCC[C@H](C)CC(=O)[C@@H](O)[C@H](C)Cl 195349055 XJDJFTYVYSQNPJ-ZXNOPLLVSA-N 420.977 6.096 50 1 HKGF CC(C)CCC[C@H](C)CCO[C@@H]1CCO[P@@](=O)(NCCCl)N1CCCl 299862687 KBDQOZHXGZTWMM-QLODZENZSA-N 417.358 5.079 50 1 HKGF Cc1ccc(/C=C(\C#N)c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc1 587188424 SCTZLLNNJSMWIR-WUXMJOGZSA-N 422.204 5.597 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(C(C)(C)C)cc1)O2 587374089 NWIPFUIDEBBZRE-NRFANRHFSA-N 402.332 5.130 50 1 HKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCCC[C@H]2Br)N1 587680768 IXXZTIPPSKYOMG-ZXIHIIQKSA-N 405.149 5.045 50 1 HKGF N#CSc1c(-c2ccccc2F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587626167 QBLPICZCNJSFCH-UHFFFAOYSA-N 404.310 6.585 50 1 HKGF C=CCC/C=C\C=C/CCCCCC[C@@H]1CC[C@@H]([C@@H]2CC[C@@H](CC(=O)O)OO2)O1 137135998 AAJUINQOJSADQB-YIQHIYRZSA-N 406.563 5.907 50 1 HKGF CCc1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1CCBr 587361545 VNIQZDHJXXIMDG-UHFFFAOYSA-N 410.311 6.156 50 1 HKGF CC(C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O)=CC=CC(C)=CC=CC=C(C)C=CC=O 2356381234 DTXLMVIHOKFQAR-KSKIQVGCSA-N 408.582 5.706 50 1 HKGF N#C/C(=C/c1ccc(Cl)c(Cl)c1)CNC(=O)Nc1ccc(Cl)c(Cl)c1 34875313 ZLEISAGATHITAE-WZUFQYTHSA-N 415.107 6.029 50 1 HKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(C1CC1)[C@@H](Cl)c1ccccc1F 587566653 AIYGMWSVSCZMRH-NKKJXINNSA-N 424.855 5.622 50 1 HKGF C=C1C[C@](C)(CCCCCCCCC=CC=Cc2ccccc2)OO[C@@H]1CC(C)=O 2356838715 MCJQHCMNEVLPRM-SXOMAYOGSA-N 410.598 7.391 50 1 HKGF O=C(N/N=C/c1c(Cl)cccc1Cl)c1cc(-c2ccc(F)cc2F)ccc1O 225005028 WRIPRPGMFZFJPP-KIBLKLHPSA-N 421.230 5.408 50 1 HKGF C[C@H](c1ccc(CBr)cc1)c1nc2cc(Br)c(F)cc2[nH]1 586972916 CTKBRFLIHMPFKA-SECBINFHSA-N 412.100 5.511 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)n(-c3ccc(C)c(C)c3)c1C)O2 587374275 VQEGDTHUJMLWTC-RUZDIDTESA-N 422.956 5.701 50 1 HKGF Cc1cc(C)c([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 587689530 UCWJNOFNXDVSCU-JLTOFOAXSA-N 410.758 5.530 50 1 HKGF COc1cc2c(cc1OC)[C@](CCCCCCl)(c1cccc(C)c1)N(C)[C@@H](C)C2 962619660 FFWRWEQCHQSBFO-DFBJGRDBSA-N 416.005 5.931 50 1 HKGF C#CCCCCCCCC=CC#CCCC[C@@]1(OC)CC[C@@H](CC(=O)OC)OO1 2356666855 FWBUUZZBAIZTSB-UPVQGACJSA-N 404.547 5.097 50 1 HKGF N#C/C(=C\c1ccccc1)c1nc2cc(Br)c(Br)cc2[nH]1 587188667 VFVQTPGAVWRHNG-IZZDOVSWSA-N 403.077 5.152 50 1 HKGF CCCc1c(O)ccc2c1O[C@@](CCCBr)(c1ccc(F)cc1)CC2=O 587466401 KZCNSIMTSUUWCV-OAQYLSRUSA-N 421.306 5.520 50 1 HKGF CCOc1ccc([C@]2([C@@H](C)Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587541339 BDHYCQHKCLHOJN-FVFQAYNVSA-N 424.880 5.275 50 1 HKGF CCCCCCCCOc1cc2nc([C@H](Cl)CCl)[nH]c2cc1Br 587008005 KKLMBOXRNPULHC-CYBMUJFWSA-N 422.194 6.583 50 1 HKGF O=C1c2ccc(O)cc2O[C@](CCl)(Cc2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 587332876 KGGKACCRSIGLSB-GGAORHGYSA-N 414.835 5.250 50 1 HKGF N#CC1=C(/N=C/c2ccccc2)Oc2c(ccc3cccnc23)[C@H]1c1ccc(Cl)cc1 103186043 VXUGQXIIFYBOII-MIHYEXDHSA-N 421.887 6.267 50 1 HKGF CCC[C@]1(c2ccccc2)OC(c2cc3ccccc3o2)=C(C#N)[C@H]1c1ccccc1 103295337 YIZGRTPEGLFSQI-IXCJQBJRSA-N 405.497 7.177 50 1 HKGF CC/C=C\CC[C@H](C/C=C\CCCCCCCCCC(=O)OC)O[Si](C)(C)C 238731640 AUSXKZJNXQIEEH-VLUCLORRSA-N 410.715 7.583 50 1 HKGF CCCCCc1ccc([C@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)cc1 587373554 MBKGXWQCRVXODR-JOCHJYFZSA-N 416.359 5.566 50 1 HKGF COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587930209 NMNHQHVBBPNVKR-FZKQIMNGSA-N 404.404 6.674 50 1 HKGF CC(=O)N[C@@H](CSC/C=C(\C)CC/C=C(\C)CCC=C(C)C)C(=O)CCl 3974825 RRYPOUTUGHTCHN-QHHPALHRSA-N 400.028 5.451 50 1 HKGF C[C@H](CCCCCCCCc1ccccc1)C[C@@]1(C)CC[C@](O)(CC(=O)O)OO1 49775492 XVXOFYJABBXDNN-AGILITTLSA-N 406.563 5.650 50 1 HKGF CC1=C(C#N)[C@@H](c2ccc(OCc3ccc(Cl)cc3)cc2)C2=C(O)CCCC2=N1 104016036 JTCMPDSCWSJIRB-HSZRJFAPSA-N 404.897 6.251 50 1 HKGF C[C@@]12CCC[C@@](C)(C(=O)OC[Si](C)(C)C)[C@H]1CC[C@@]13C[C@@H](CC[C@H]12)C1(C3)OO1 195405380 AXGGKQNZTXIXHT-JHNTZSPXSA-N 406.639 5.478 50 1 HKGF Cc1cc(Br)cc2nc([C@H](C)c3ccc(CBr)cc3)[nH]c12 586972724 AKEBFQHDIVDPPE-LLVKDONJSA-N 408.137 5.681 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(Cl)c(Cl)c1)O2 587375088 QTBRWPSKIGIXGF-KRWDZBQOSA-N 415.114 5.140 50 1 HKGF CCCc1c(O)ccc2c1O[C@@](CSC#N)(c1ccc(Cl)cc1Cl)CC2=O 587494017 VXHJVTJOWHJVRI-FQEVSTJZSA-N 422.333 5.726 50 1 HKGF C/C(=N/NC(=O)OC(C)(C)C)C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 1772641386 BTNYMFJBTJSBIH-DICXZTSXSA-N 402.498 5.682 50 1 HKGF Cc1cc2c(cc1C)C(Cl)=C(/C=N/NC(=O)c1cccc3ccccc13)CCC2 299824359 KZOQNDNREJNYTH-JFLMPSFJSA-N 402.925 6.159 50 1 HKGF C[C@H](c1ccc(CBr)cc1)c1nc2ccc(Oc3ccccc3)cc2[nH]1 586973410 JWUJWLZSXXIGFR-OAHLLOKOSA-N 407.311 6.402 50 1 HKGF CC(C)(F)[C@@H](Br)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 587087881 XUNNSIJCFIKUIH-VIFPVBQESA-N 418.026 5.528 50 1 HKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c(C)c1C 587688704 NIEVGGMJTXOJBH-LAJNKCICSA-N 424.785 5.838 50 1 HKGF Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(C)c1N=C=S 587896190 KKXPCYIEOCUOHZ-UHFFFAOYSA-N 403.334 5.055 50 1 HKGF CCCN1[C@H](C)Cc2ccccc2[C@@]1(c1cccc(Cl)c1)[C@H](C)Br 963226139 GQCREYSCMFFFDC-XFQAVAEZSA-N 406.795 6.024 50 1 HKGF C=C1CC[C@@H]2C(C)(C)[C@@H](Br)CC[C@]2(C)[C@H]1Cc1cc(O)c(C=O)cc1O 95603892 KYHAUNCXNLJHDG-QRXQEZHUSA-N 421.375 5.625 50 1 HKGF Cc1cc(/C=C(\C#N)c2nc3cc(N)ncc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587056364 PMNIXMPDFMPNOL-VGOFMYFVSA-N 423.307 5.319 50 1 HKGF Cc1cc(C)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1CCl 587687317 ZWNIJKAJDVVOMW-YEJXKQKISA-N 424.785 6.050 50 1 HKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc(C)c1F 587722335 YCSWKSSGFSCWNH-CWTRNNRKSA-N 414.721 5.361 50 1 HKGF N#CC1=C(N)Oc2c(ccc3ccccc23)[C@@H]1c1cccc(S(F)(F)(F)(F)F)c1 1857536134 FEIRRIYMVIIAQK-SFHVURJKSA-N 424.394 6.715 50 1 HKGF O=C1c2ccc(O)cc2O[C@@](CCCl)(c2ccccc2F)[C@H]1c1ccc(F)cc1 587339100 XYRAVNOLQTWCHU-GMAHTHKFSA-N 414.835 5.554 50 1 HKGF C[C@H](Cl)[C@@]1(c2ccc(F)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587567624 IGGBHBCYVBSAOC-HIDBYJOQSA-N 416.807 5.155 50 1 HKGF Cc1ccccc1[C@]1(CCCCCl)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962759638 CNIBKOLPOXFGMY-FPOVZHCZSA-N 409.879 5.293 50 1 HKGF O=C(NNc1ccnc2cc(Cl)ccc12)c1ccccc1/N=C/c1ccc(O)cc1 1772593439 KRYCFHLYSSIGQY-VULFUBBASA-N 416.868 5.101 50 1 HKGF CC(C)=CCC/C(C)=C/C=C\C(C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(/C)C=O 238779404 AQXFMDSHWVVBIM-URIILYFKSA-N 416.649 8.888 50 1 HKGF C[C@H](Cl)[C@]1(c2c[nH]c3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587546890 YQHOUJQADXKYDY-XHCKBEORSA-N 419.864 5.358 50 1 HKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCCCl)(c2ccc(F)cc2)N1 587735142 WKXWZMKNHBSYCO-HXPMCKFVSA-N 414.721 5.524 50 1 HKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c([C@@H]3C[C@H]4C=C[C@@H]3C4)nc2c1 587966069 AIKBJDKLORDRIJ-QXFUBDJGSA-N 415.225 6.662 50 1 HKGF COC(=O)[C@H](C)[C@@H]1CC[C@](C)([C@@H]2C[C@]3(C)[C@H](C)C[C@@H]4C=C(C)CC[C@H]4[C@@]3(C)O2)OO1 2356565545 ZUKFYDKHJLXOAT-MDYSLFKUSA-N 420.590 5.231 50 1 HKGF CC(C)(C)[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587321728 KMVKRXPTLMHKEJ-YLJYHZDGSA-N 407.279 5.070 50 1 HKGF O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc(F)cc2F)[C@H]1c1ccc(F)cc1 587333345 NJSNHDCHFGKGQM-RBBKRZOGSA-N 418.798 5.303 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(NC(=O)C(C)(C)C)cc1)([C@H](C)Cl)O2 587373144 PZSCABLCQCDWTC-PSLXWICFSA-N 414.933 5.050 50 1 HKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H](Cl)c2ccc(F)cc2)N1 587735523 QFSFZXJLNHKLLU-APEXYLGGSA-N 400.694 5.457 50 1 HKGF COc1ccc(C=O)c(-c2nc3cc(S(F)(F)(F)(F)F)ccc3[nH]2)c1OC 587786631 MRGYIKSEEFDPGK-UHFFFAOYSA-N 408.348 5.717 50 1 HKGF COc1ccc(Cl)cc1C#Cc1ccc(/C(C#N)=C\c2ccccc2Cl)cc1 587906192 UHBLZBRSBGWWRI-STZFKDTASA-N 404.296 6.466 50 1 HKGF Cc1cc([C@]2([C@H](C)Cl)c3ccc(F)cc3C[C@H]3CCCN32)c(C)n1-c1ccccc1 963111944 WISAJESAHCRJAP-CNPGNWEMSA-N 422.975 6.125 50 1 HKGF CCCN1[C@H](C)Cc2ccccc2[C@@]1(CCl)c1cc(C)n(-c2ccc(F)cc2)c1C 963222756 CTQCOTRFLKNDPS-DWXRJYCRSA-N 424.991 6.372 50 1 HKGF CCCCOC(=O)c1cnc2c(cnn2C[C@H](Cl)c2ccccc2)c1NCCC 13675543 FLWKAIOMXDXDCR-IBGZPJMESA-N 414.937 5.190 50 1 HKGF Cc1ccnc2[nH]c(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)nc12 587056316 OVDSAUKQEDADIG-MHWRWJLKSA-N 422.319 6.045 50 1 HKGF COc1ccc(Cl)c2c1CCN[C@]2(CBr)C(C)(C)c1ccccc1 963256169 BBDYXNNMFXJKHV-FQEVSTJZSA-N 408.767 5.062 50 1 HKGF COC(=O)[C@H](C)[C@@H]1CC[C@](C)(CC[C@@H]2[C@H](C)CC[C@]3(O)C(C)(C)CCC[C@@]23C)OO1 2356616309 WCYWWYZSPHIFJY-GSGSAWFGSA-N 424.622 5.439 50 1 HKGF CC[C@@H]1/C(=N/OC(=O)O[C@H](C)Cl)C[C@H](c2ccccc2)N(C)[C@@H]1c1ccccc1 299848914 OJRZNSBREGNNNV-DPSONGCHSA-N 414.933 5.925 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(C(C)C)cc1)([C@@H](C)Br)O2 587370859 CKZZTMLWERAVHU-SPLOXXLWSA-N 402.332 5.345 50 1 HKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ccc(F)c(Cl)c1 587558729 TUPSOIDKQQEUBS-WIYYLYMNSA-N 419.235 5.281 50 1 HKGF Cc1cc([C@@]2(CCl)NCCc3c(Cl)cc(Cl)cc32)c(C)n1Cc1ccco1 963114927 YFMZPZHFGUDXLK-OAQYLSRUSA-N 423.771 5.681 50 1 HKGF COc1ccc(C(=O)CC[C@H]2C=CN(Cc3cccc(Cl)c3)C=C2C#N)cc1OC 1857750174 BOPFNLKYSPIFLY-SFHVURJKSA-N 422.912 5.373 50 1 HKGF Cc1ccc2[nH]c(-c3ccccc3)c([C@@H]3C=C(c4ccccc4)OC(N)=C3C#N)c2c1 95603522 QKGLFUWNFFZATM-HXUWFJFHSA-N 403.485 5.992 50 1 HKGF CC(C)=CCC/C(C)=C\C=C/C(C)=C\C=C/C(C)=C\C=C/C=C(C)/C=C\C=C(/C)C=O 225644602 AQXFMDSHWVVBIM-VKELZZTASA-N 416.649 8.888 50 1 HKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3CC[C@]2(CCl)C3(C)C)N1 587684270 KNJKKSGLBVKDJF-CLWWGOANSA-N 400.763 5.383 50 1 HKGF CC(C)=CCC/C(C)=C/C=C\C(C)=C/C=C/C(C)=C/C=C\C=C(C)/C=C\C=C(\C)C=O 238760656 AQXFMDSHWVVBIM-WAPKIOQKSA-N 416.649 8.888 50 1 HKGF C[C@H](c1ccc(CBr)cc1)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 586973620 MLBTVLOSBPZXQB-CYBMUJFWSA-N 421.342 5.441 50 1 HKGF CC(C)(F)[C@H](Br)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 587087338 ORMJLCCUHLSSFO-SECBINFHSA-N 418.026 5.528 50 1 HKGF COc1cccc(-c2cc([C@@H](Cl)c3ccc(F)cc3)nc3c2oc2ccccc23)c1 587361018 UNTPPLVIFRLBGW-QHCPKHFHSA-N 417.867 7.124 50 1 HKGF O=C1C[C@](CCl)(c2ccc3c(c2)-c2ccccc2C3)Oc2c1ccc1c2CCCC1 587497292 ISSHPWRRSWOXOB-MHZLTWQESA-N 414.932 6.236 50 1 HKGF O=[P@@](Nc1cccc(Cl)c1)(Oc1ccccc1)N(CCCl)CCCl 1628774 XPVYUVBDAQWVOI-DEOSSOPVSA-N 407.665 5.719 50 1 HKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(C(C)C)cc1)CC2=O 587455783 FVNVHOIIRMYTCA-QFIPXVFZSA-N 417.343 5.724 50 1 HKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)s1 587846608 VAHVHVUDZRNGFF-HUTHGQBESA-N 402.760 5.283 50 1 HKGF CCCC(=O)Nc1ccc([C@]2([C@@H](C)Cl)c3c(F)cccc3C[C@@H]3CCCN32)cc1 963107108 WQUKHPYKPLVQEH-AAORUROXSA-N 414.952 5.456 50 1 HKGF CCCCC(CCCC)N(NC(=O)c1ccc(CC)cc1)C(=O)c1cc(C)cc(C)c1 43059342 NGFWUOIIYXUADF-UHFFFAOYSA-N 422.613 6.402 50 1 HKGF CCOC(=O)[C@@H](Cl)c1nc2ccc(O)c3c2c(c1C(C)C)-c1ccccc1C3=O 586985877 LNDAKYWQSQMACY-FQEVSTJZSA-N 409.869 5.118 50 1 HKGF COc1ccc(Cl)cc1C#Cc1cccc(-c2csc(NC(=O)CCl)n2)c1 587920599 IOSAPUQWIWEKSL-UHFFFAOYSA-N 417.317 5.049 50 1 HKGF COC(=O)[C@H](C)[C@H]1CC[C@@](C)(CCC=C(C)CCC=C(C)CCC=C(C)C)OO1 2356436415 LCYOYORSUQYOEM-VDKIKQQVSA-N 406.607 6.864 50 1 HKGF C=C1C[C@H](OC(=O)c2ccccc2)[C@H]2[C@@](C)(CCC[C@@]2(C)CO)[C@@H]1CCC(C)=CC=O 2356482291 IQFDAOLIRBRVJU-MUAUJTQOSA-N 424.581 5.519 50 1 HKGF C[C@@H](Sc1nc(N)cc(O)n1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 586962619 SXUDWGMCEAQRJS-ZCFIWIBFSA-N 413.397 5.151 50 1 HKGF C[C@@H](Br)[C@]1(c2ccccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587502083 IERWNIHCYDNDSD-ASSNKEHSSA-N 403.291 5.349 50 1 HKGF CCOc1ccc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587686633 WHMDLDMDSJKXPS-CWTRNNRKSA-N 412.730 5.004 50 1 HKGF Cc1cc([C@]2(CCl)c3c(F)cccc3C[C@@H]3CCCN32)c(C)n1-c1ccccn1 963106758 VXFOWODGQOMJMY-YADARESESA-N 409.936 5.131 50 1 HKGF CCO/C(O)=C1\C(C[S@](=O)c2ccccc2)=NC(C)=C(C#N)[C@@H]1C1CCCCC1 40685275 KOBLDOREUGIFTN-IASDGEBPSA-N 412.555 5.049 50 1 HKGF CCN(CC)c1ccc([C@@H]2C(C#N)=C(C)N=C3C[C@@H](c4ccccc4)CC(O)=C32)cc1 103866713 YTFKONLQVUVJTJ-QFQXNSOFSA-N 411.549 6.258 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@]([C@H](C)Br)(C13CC4CC(CC(C4)C1)C3)O2 587372403 IOWWVBRUTGZSKW-OXLVUPRKSA-N 418.375 5.281 50 1 HKGF O=C1C[C@](CCl)(Cc2cccc(Br)c2)Oc2c1ccc1c2CCCC1 587505122 UWNMMMWKOMKMLY-NRFANRHFSA-N 419.746 5.513 50 1 HKGF O=C1C[C@@](c2ccccc2)(c2ccc(N=C=S)cc2)Oc2c1ccc1c2CCCC1 587529954 AHGIJOIBYGHEKL-AREMUKBSSA-N 411.526 6.209 50 1 HKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H](Cl)c2ccc(F)cc2)N1 587735524 QFSFZXJLNHKLLU-AQQIJUCISA-N 400.694 5.457 50 1 HKGF CCCCCCCCCCCCCCCCCC(=O)NNC(=O)C[n+]1ccccc1 43322996 UGGFRKWPAVTCGG-UHFFFAOYSA-O 418.646 5.383 50 1 HKGF COC(=O)[C@@H](C)[C@H]1CC[C@@](C)(CCC2=C(C)C[C@@H]3C=C(C)CC[C@H]3C2(C)C)OO1 73317165 SXELECXXRAJAPF-RWKCYHQCSA-N 404.591 6.164 50 1 HKGF CCC/C(Br)=C1\O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 103106443 YVONXOJDPSLXAR-FYQDTIGQSA-N 401.341 5.275 50 1 HKGF CCCN1[C@H](C)Cc2ccccc2[C@]1(c1cccc(Cl)c1)[C@@H](C)Br 963226137 GQCREYSCMFFFDC-WHSLLNHNSA-N 406.795 6.024 50 1 HKGF C[C@@]1(c2ccc(Cl)cc2)C=C(c2ccc(Cl)cc2)C(C#N)=C(C(C#N)C#N)N1 31905388 RBSFYGVGZODGDR-QFIPXVFZSA-N 405.288 5.336 50 1 HKGF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@H](Br)C3)c1 587359305 XQSPJVQBZRTFMD-AWEZNQCLSA-N 408.295 5.909 50 1 HKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc(-c3ccccc3)cc1)CC2=O 587459275 HKGXPTAZLIIJJX-VWLOTQADSA-N 406.909 6.111 50 1 HKGF CCCCCC[C@@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587537243 CAFNEBHHWFVWHI-RXVVDRJESA-N 419.315 5.458 50 1 HKGF Cc1cc(C)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1CCl 587687315 ZWNIJKAJDVVOMW-LRTDBIEQSA-N 424.785 6.050 50 1 HKGF Oc1c(-c2ccccc2)cccc1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 586896240 KXJJYGKMEVSEJG-UHFFFAOYSA-N 412.383 7.260 50 1 HKGF CCOC(=O)c1nc2c(C)ccc3c2c(c1CCCCCl)-c1ccccc1C3=O 586992368 AKZOEWNDLJMCAR-UHFFFAOYSA-N 407.897 5.493 50 1 HKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc(NC(=O)C(C)C)cc1)CC2=O 587461239 RIUMVBOYRXHJFA-HSZRJFAPSA-N 415.917 5.039 50 1 HKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ccc2c(c1)CCCC2 587543611 LDKYTSWBQBDFCA-DHLKQENFSA-N 420.892 5.367 50 1 HKGF COc1ccc([C@]2([C@@H](C)Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587686202 BXXZSNGRLIPEOV-CRTZDJKQSA-N 412.730 5.002 50 1 HKGF CCc1ccc(CC)c([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587689729 VICLMLACCCBYAS-ZSEKCTLFSA-N 424.785 5.730 50 1 HKGF CC(C)[C@@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]23C=C[C@@]2(CCCC[C@]12C)OO3 2356337358 UCQJLPOKKJIZQU-IVVQBESSSA-N 412.658 7.503 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc3sccc3c1)O2 587415297 QVUMXBHYILQSGK-IBGZPJMESA-N 402.313 5.048 50 1 HKGF ClC[C@]1(c2cc(Cl)sc2Cl)c2ccsc2CCN1Cc1ccco1 962714190 VJKOQDVCYXAFPI-QGZVFWFLSA-N 418.798 6.250 50 1 HKGF C[C@H](CC[C@H]1C(C)(C)[C@H]2CC[C@@]1(C)O2)[C@@H]1CC[C@](C)(Cl)[C@@H](Br)[C@@H]1O 2356807597 XXELFHDLURVSLJ-TVZSBKLRSA-N 421.847 5.528 50 1 HKGF O=c1ccc2cc3ccoc3c(O[P@@](=O)(Cl)N(CCCl)CCCl)c2o1 43366105 DRDKAUSJBREKBZ-VWLOTQADSA-N 424.604 5.045 50 1 HKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC3C4CC5CC(C4)CC3C5)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 44069827 GVWAVUXQFKPXME-RRQBVAKMSA-N 418.574 5.036 50 1 HKGF C/C(=N/NC(=O)[C@H](C)Oc1cc(Cl)c(Cl)cc1Cl)c1ccc(Cl)cc1 103189555 FKBPWCXRQXNWLI-DFGJSJTJSA-N 420.123 5.608 50 1 HKGF Cc1nc(Br)sc1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587011274 MTQSZPSGFFKGJL-UHFFFAOYSA-N 420.226 6.415 50 1 HKGF C=C(CN(C)C)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587190194 HZGLZOGNDZMACH-UHFFFAOYSA-N 406.218 5.558 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1ccc(-c3ccc([N+](=O)[O-])cc3)cc1)O2 587373881 TYPGIHHTTNVACI-QHCPKHFHSA-N 422.868 5.252 50 1 HKGF Cc1ccc([C@]2([C@@H](C)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C 587689236 RBPRLDANZBDYPL-JZKQVHKSSA-N 410.758 5.610 50 1 HKGF BrC[C@@]1(C2CCCCC2)NC2(CC2)Cc2ccc(Br)cc21 961618263 ZNPUKYRMXVSNNK-SFHVURJKSA-N 413.197 5.298 50 1 HKGF C[C@H](CC[C@H]1C(C)(C)[C@H]2CC[C@@]1(C)O2)[C@@H]1CC[C@](C)(Cl)[C@H](Br)[C@H]1O 2356807594 XXELFHDLURVSLJ-IANYYTPYSA-N 421.847 5.528 50 1 HKGF C/C1=C/[C@H](OC(=O)NCCCl)C[C@](C)(O)/C=C\[C@H](C(C)C)CC/C(C)=C/CC1 169363994 ASERFLMHCJBCPH-ZCISZACQSA-N 412.014 5.756 50 1 HKGF Cc1cc(/C=C(\C#N)c2nc3ccnc(N)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587056673 QKFMEAHQKXAWBO-NTEUORMPSA-N 423.307 5.319 50 1 HKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2csc3ccccc23)N1 587854556 CVGCJBVCRKGZKD-JEOXALJRSA-N 424.766 5.820 50 1 HKGF C[C@@]1(c2cc(F)cc(S(F)(F)(F)(F)F)c2)NCCc2nc3ccccn3c21 962986342 SVTASBSQUPTEGQ-KRWDZBQOSA-N 407.383 5.540 50 1 HKGF Nc1cnc(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)nc1 587252879 RCQVOHMTUJYPMR-UHFFFAOYSA-N 416.173 5.022 50 1 HKGF N#CCCn1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587498528 OCDRWJVNYJFNCQ-VWLOTQADSA-N 418.924 5.533 50 1 HKGF O=C1C[C@](c2ccccc2)([C@@H](Cl)c2ccccc2)Oc2c1ccc1c2CCCC1 587500238 ZICWHHFSGBJNPI-UIOOFZCWSA-N 402.921 6.406 50 1 HKGF COc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1CCl 587682711 DFTGKPZXJKKNAG-WYRIXSBYSA-N 412.730 5.133 50 1 HKGF COc1ccc(Cl)cc1C#Cc1cc(S(F)(F)(F)(F)F)cc2nc[nH]c12 587917969 XKBXDSKXLGDRFD-UHFFFAOYSA-N 408.779 6.282 50 1 HKGF Cc1ccc([C@]2(CCl)NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)cc1C 962959237 SJWMIJYSTKZHJD-QFIPXVFZSA-N 423.906 5.456 50 1 HKGF CC(=O)CCCC(C)(C)C(=O)CC/C(C)=C/CC[C@]1(C)CC[C@H]([C@@H](C)C(=O)O)OO1 43065577 UCWHHFGTUDDROG-QNHVPCAPSA-N 424.578 5.438 50 1 HKGF Cc1ccc(SC2=C(C=O)CCc3c2sc2nc4n(c(=O)c32)CCCCC4)cc1 45283981 XGKMXILONMIJNT-UHFFFAOYSA-N 422.575 5.141 50 1 HKGF N#C/C(=C\c1ccccc1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 587188807 VSMAERHJRSKHNX-IZZDOVSWSA-N 408.177 5.288 50 1 HKGF CCNNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1C 13474268 OIYSBANBFORQTK-UHFFFAOYSA-N 423.731 5.062 50 1 HKGF CCOc1c([C@H](C)O[Si](C)(C)C(C)(C)C)c(OC(C)=O)c2ccccc2c1OC 195396347 NQQSOELYQVKLND-HNNXBMFYSA-N 418.606 6.255 50 1 HKGF Cc1ccc2c3c(c(CCCl)c(-c4ccc(F)cc4)nc13)-c1ccccc1C2=O 586996266 QXISTQWOTKZGEL-UHFFFAOYSA-N 401.868 6.342 50 1 HKGF Fc1ncc(Br)cc1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587178132 RAXPBGDMZBQYCB-UHFFFAOYSA-N 418.160 6.184 50 1 HKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)C(Cl)Cl 587542394 GZOAHWBOXUOSMW-DYESRHJHSA-N 401.245 5.053 50 1 HKGF C=C(Br)[C@@](C)(Br)CC[C@H](Br)C(C)(C)Cl 1637283 ORSDYIOUHDVWAO-WPRPVWTQSA-N 411.403 5.610 50 1 HKGF CC(C)(Cl)[C@@H](Br)CC/C(=C\CBr)CBr 73275253 TVTWQOIBZCHMDJ-QRJSTWQJSA-N 411.403 5.264 50 1 HKGF C[C@H](Cl)OC(=O)O/N=C1\C[C@H](c2ccccc2)N(C)[C@H](c2ccccc2)[C@H]1C 299848925 PDVATKCRSBHEQS-GGFGQAFKSA-N 400.906 5.535 50 1 HKGF O=C1c2ccccc2-c2cc(-c3ccc(CCBr)cc3)nc3cccc1c23 587101360 GCFZTRACAGSASS-UHFFFAOYSA-N 414.302 6.051 50 1 HKGF FC(F)(F)c1ccccc1Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587106042 DFJHHBCKGADYFU-UHFFFAOYSA-N 402.310 6.830 50 1 HKGF FC(F)(F)c1cc(C(F)(F)F)c2c(-c3ccccc3Cl)c(CCl)[nH]c2c1 587625383 HMMOTZPKWWGBOS-UHFFFAOYSA-N 412.160 7.265 50 1 HKGF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@]34C=C[C@@]5(C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@]12C)OO4 1857766866 FOISYVRNZSWLHL-QVPVIAPPSA-N 416.646 6.452 50 1 HKGF CC1(C)[C@H](Br)CC[C@@]1(C)[C@@]1(O)CC[C@](C)(Br)[C@@H](Cl)C1 2356453233 RITYTGBWLLRFSG-ZVJHWVFESA-N 416.625 5.252 50 1 HKGF C/C(=C/CC[C@H](C)CC(=O)[C@@H](O)[C@H](C)Cl)CCCc1coc(Cc2ccoc2)c1 195199040 WHSPRQDLSQTWAX-FCWRUMNPSA-N 420.977 6.096 50 1 HKGF COc1ccc(Cl)cc1C#CCc1c(F)c(F)c(CBr)c(F)c1F 587914536 CBWIJZZIYOKVAA-UHFFFAOYSA-N 421.615 5.394 50 1 HKGF C=CCCCCCCCC=CC#CCCC[C@]1(OC)CC[C@@H](CC(=O)OC)OO1 2356632456 CBSYJKYAPRBDHQ-LADGPHEKSA-N 406.563 5.649 50 1 HKGF Cc1ccc(/C=N/NC(=O)Cc2ccccc2Nc2c(Cl)cccc2Cl)cc1 29123225 HZHPPIHAFFXQIL-AFUMVMLFSA-N 412.320 5.738 50 1 HKGF CC1=C(CC[C@@](C)(O)/C=C/C[C@@]2(C)CC[C@H]([C@H](C)C(=O)O)OO2)C(C)(C)CCC1 42850819 IOPIOUHRQRYDMU-VBIFJVMDSA-N 408.579 5.581 50 1 HKGF CCCCC[C@H](Cl)[C@@H](Cl)C[C@H](Cl)[C@H](Cl)CCCCCCCC(=O)O 100290585 FRSRMUYUIAXUAX-YVSFHVDLSA-N 422.264 7.202 50 1 HKGF Cc1cc(/C=C(/C#N)c2nc3cccc(O)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587054691 HUFDKNRIMUALBM-GDNBJRDFSA-N 423.303 6.047 50 1 HKGF CC[C@]1(CCCBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587319629 CJDIMLHRSRNTGO-UYAOXDASSA-N 407.279 5.214 50 1 HKGF Cc1ccc([C@@]2(CSC#N)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587371037 ZQBLZWVGDQGHLK-ISKFKSNPSA-N 419.477 5.308 50 1 HKGF C[C@H](Cl)C(=O)Nc1c(-c2ccccc2)[nH]c2c1c(Br)cc1n[nH]cc12 587620181 AGLAPSFKEIQBDE-VIFPVBQESA-N 417.694 5.040 50 1 HKGF Cc1ccc2c3c(cc(-c4csc(C(=O)CCl)c4)nc13)-c1ccccc1C2=O 587102430 QRSHLLKHJRVZJB-UHFFFAOYSA-N 403.890 5.905 50 1 HKGF C[C@@H](Br)[C@]1(c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587499601 NSVXIDDANNIOLE-ASSNKEHSSA-N 419.746 5.863 50 1 HKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(C2CCC(F)(F)CC2)N1 587719353 LDRYXLZIQGLYHP-QGHHPUGFSA-N 410.705 5.382 50 1 HKGF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](CCBr)(c2ccc3c(c2)CCC3)N1 962945835 GYWRUDLDSRXBNO-CYFREDJKSA-N 423.398 5.610 50 1 HKGF COC(=O)[C@H](C)[C@@H]1CC[C@](C)(CC[C@@H]2[C@H](C)CC[C@@]3(O)C(C)(C)CCC[C@@]23C)OO1 2356616312 WCYWWYZSPHIFJY-XWSBJIKESA-N 424.622 5.439 50 1 HKGF CC(=O)c1c(SSc2c(C(C)=O)c3ccccc3n2C)n(C)c2ccccc12 13740085 TTWGTAOWALLDCB-UHFFFAOYSA-N 408.548 5.875 50 1 HKGF C[C@H]1CN(CCCn2c3ccccc3c3ccccc32)C[C@H](C)N1CCCN=C=S 27436431 RXCZIMJGLPSJGI-SFTDATJTSA-N 420.626 5.072 50 1 HKGF C=C(c1ccc2ccccc2c1)C1CCC2(CC1)CO[C@H](Nc1ccc(F)cc1)OO2 64448107 FQHUPJUDZWYAPE-GXJVVJEWSA-N 419.496 6.295 50 1 HKGF CCCCSSN(C(=O)c1ccccc1)N(C(=O)c1ccccc1)C(C)(C)C 103219593 UUMAFNOKVRASHQ-UHFFFAOYSA-N 416.612 6.081 50 1 HKGF COC(=O)[C@H](C)[C@@H]1CC[C@](C)(CC[C@@H]2[C@H](C)CC[C@@]3(O)C(C)(C)CCC[C@]23C)OO1 2356616310 WCYWWYZSPHIFJY-IPZCJLBESA-N 424.622 5.439 50 1 HKGF C=C(c1cccc2ccccc12)C1CCC2(CC1)CO[C@@H](Nc1ccc(F)cc1)OO2 64446730 GWOHDJHWPTWUPN-MMTWIKPJSA-N 419.496 6.295 50 1 HKGF O=C(O)C[C@@H]1CC[C@@H]([C@@H]2CC[C@@H](CCCCCC[C@H]3C=C/C=C/C=C/C3)O2)OO1 195359694 DIHXQPVNIPQBLK-YXDCTLEUSA-N 404.547 5.517 50 1 HKGF C[C@H](Cl)[C@@]1(Cc2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587324604 RQPYVJKSKXOKRW-HRCLSFSHSA-N 410.872 5.499 50 1 HKGF CCCc1c(O)ccc2c1O[C@@](CBr)(CCc1ccccc1)CC2=O 587455796 GFKZHMZLUMUPKK-NRFANRHFSA-N 403.316 5.076 50 1 HKGF C[C@H](CCCCCCc1ccccc1)C[C@@H](C)C[C@]1(C)C[C@]2(C)OC(=O)C[C@@H]2OO1 44386764 BFGVFWWNBPNNKE-BWESQIKWSA-N 416.602 6.417 50 1 HKGF [C-]#[N+]/C(C)=C/C=C(C)\C=C(/C)[C@H](C[C@H](C[C@H](C[C@H](CC=C)OC)OC)OC)OC 85598418 DXDWWQYVFWGLPI-DFHGXFDKSA-N 405.579 5.508 50 1 HKGF O=C(NCCCl)Oc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)c(Cl)c1 473135531 JGTPNQUPZJPYGH-UHFFFAOYSA-N 422.095 5.226 50 1 HKGF CCCN1[C@H](C)Cc2ccccc2[C@]12CCCCCCCCCC[C@@H]2Br 963231100 PYPIXTNTQNOMHB-QDSKXPNFSA-N 420.479 7.217 50 1 HKGF CC(C)C1=CC[C@@H]2C(=C1)CC[C@@H]1[C@@](C)(C(=O)Oc3ccc([N+](=O)[O-])cc3)CCC[C@]21C 2356874018 XBFYDNRVELQHGC-RYJQUDHMSA-N 423.553 6.635 50 1 HKGF FS(F)(F)(F)(F)c1ccc2nc(-c3cccc(-c4ccsc4)c3)[nH]c2c1 587024775 CJCWVRPOJXWIBS-UHFFFAOYSA-N 402.413 7.616 50 1 HKGF COc1cc2c3c(c1)O[C@@](c1ccc(C)cc1)([C@H](Cl)c1ccc(C)cc1)[C@@H](C2)C3=O 587416951 GTXACGXXXAIUJC-RMUDUWAUSA-N 418.920 5.935 50 1 HKGF CCCc1c(O)ccc2c1O[C@](c1cccc(Cl)c1)([C@@H](C)Br)CC2=O 587457004 UIQMAUFWCLSMRK-ODXCJYRJSA-N 423.734 5.642 50 1 HKGF CCCCCCCCc1ccc(-c2[nH]c3ccc([C@H](C)CC)cc3c2CCl)cc1 587637879 AXQQUXJQYJYPPT-HXUWFJFHSA-N 410.045 8.990 50 1 HKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCCl)(c2ccc(Cl)cc2)N1 587683249 GBHCTSVSBJGUGD-BBATYDOGSA-N 417.149 5.648 50 1 HKGF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@@]2(CBr)C1(c2ccccc2)CC1 963105000 MKWAGDUVQLDYRK-SIKLNZKXSA-N 400.335 5.168 50 1 HKGF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC=C4C[C@H](OO)CC[C@]4(C)C3=CC[C@@]21C 2356505439 FJKLGGRFXVSQLY-KXEGIIEZSA-N 410.642 7.748 50 1 HKGF Cc1cc(C)c([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C 587329543 YLHTVUOEYWJMFE-NOZRDPDXSA-N 424.899 5.950 50 1 HKGF CC[C@H](Br)[C@]1(c2ccc(Cl)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587415502 UIFKANYVIANYHZ-OXFYSEKESA-N 421.718 5.165 50 1 HKGF O=C(NNc1ccnc2cc(Cl)ccc12)c1ccccc1/N=C/c1ccc(F)cc1 1772630867 XVBQTMXWAANHPY-MZJWZYIUSA-N 418.859 5.535 50 1 HKGF C[C@H]1C[C@@](C)(C[C@H](C)CCCCCCCCCc2ccccc2)OO[C@@H]1CC(=O)O 2356483245 GMTBZACDABXTKT-MWXBQQNOSA-N 418.618 6.966 50 1 HKGF CC(C)(C)c1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(O)c(C(C)(C)C)c1 49125988 BVVHQLZHFPPENO-UVHMKAGCSA-N 420.475 5.770 50 1 HKGF CCCc1c(O)ccc2c1O[C@](CBr)(C1(c3ccccc3)CC1)CC2=O 587456518 PYLMAYVEWCMAKE-JOCHJYFZSA-N 415.327 5.175 50 1 HKGF CCOc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1CCl 587544744 NROKLECPNWUVSS-QPPBQGQZSA-N 424.880 5.407 50 1 HKGF Cc1cc(C)c([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C 587544951 PSLYHISLHFRSNP-QPPBQGQZSA-N 408.881 5.413 50 1 HKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc3c(c2)CCC3)N1 587683597 HPCCEMNXGPLBKI-YUNKPMOVSA-N 408.742 5.094 50 1 HKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(Cc2ccccc2Cl)N1 587686341 CRMWQPIPHCELMZ-BBATYDOGSA-N 417.149 5.453 50 1 HKGF C=C1CC[C@@H](Br)C(C)(C)[C@H]1Cc1cc(O)c(Br)cc1O 1612859 OVQUXMIHRFSOJM-XHDPSFHLSA-N 404.142 5.159 50 1 HKGF biogenic C=C1CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)CC[C@]1(C)CC[C@H]([C@@H](C)C(=O)OC)OO1 71294874 XZMSFDWECPXXRJ-UMXWBDOSSA-N 406.607 6.244 50 1 HKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCCCCl)cc1 587544122 MPMADWDCRYVVAL-NZQKXSOJSA-N 410.853 5.103 50 1 HKGF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](C)(c2ccc(NC(=O)CCCCl)cc2)N1 962963342 YXLITNLCKJZHHG-XDHUDOTRSA-N 409.961 5.313 50 1 HKGF C=C1CC[C@H](Br)C(C)(C)[C@@H]1CC=C(C)[C@H](CBr)OC(C)=O 2356422016 CAABAOKUTIAZRL-PMPSAXMXSA-N 422.201 5.405 50 1 HKGF CCCCCCC[C@H](C)CC[C@@H](C)C(=O)OC=C[C@@H](Br)OC(C)=O 2356655664 JZGQWWKTVUYPPC-JZXOWHBKSA-N 405.373 5.740 50 1 HKGF COc1ccc(Nc2nc(Nc3c(C)cc(/C=C/C#N)cc3C)nc3[nH]cnc23)cc1 95921078 IDEUQSZAIWGGSN-SNAWJCMRSA-N 411.469 5.002 50 1 HKGF in-vitro O=[N+]([O-])c1ccc(OCc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1F 587150153 ZSKFGZXIVNQYKU-UHFFFAOYSA-N 413.299 5.847 50 1 HKGF CCCCCOc1cc2nc(/C(C#N)=C/c3ccccc3)[nH]c2cc1Br 587188523 UPFUUPNWWSZWCP-LFIBNONCSA-N 410.315 5.959 50 1 HKGF O=[N+]([O-])c1ccc(Cc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c([N+](=O)[O-])c1 587265949 YMDYSQWADMFIPO-UHFFFAOYSA-N 424.307 5.628 50 1 HKGF COc1cccc(-c2cc(-c3ccc(O)c(CCl)c3)nc3c2oc2ccccc23)c1 587357336 GZRPWIWIYUNSNC-UHFFFAOYSA-N 415.876 6.768 50 1 HKGF O=C1C[C@](CBr)(c2cc(F)cc(F)c2)Oc2c1ccc1c2CCCC1 587504954 OWSYOPAGZSGXTJ-FQEVSTJZSA-N 407.254 5.099 50 1 HKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(Cl)cc2)N1 587685219 ONVNFWMYBQLLPY-BTDLBPIBSA-N 403.122 5.258 50 1 HKGF Cn1cccc1CN1CCc2sccc2[C@]1(CCCCl)c1ccc(C#N)cc1 962377353 WMNOBYSBYWTXTP-QHCPKHFHSA-N 409.986 5.279 50 1 HKGF COc1cccc2cc3c(nc12)[C@](CCl)(c1ccc(-c2ccccc2)cc1)NCC3 963059267 QCINVZUOXQUETF-SANMLTNESA-N 414.936 5.539 50 1 HKGF Cc1ccc([C@]2(CCCCCCCl)c3c(F)cccc3C[C@H]3CCCN32)cc1F 963103746 LLDUZGQODLJJHH-PXDATVDWSA-N 417.971 6.727 50 1 HKGF CCCCC(CCCC)N(NC(=O)c1ccc(CC)cc1)C(=O)c1ccccc1OC 43017933 NBODGOAHKBYVOF-UHFFFAOYSA-N 424.585 5.794 50 1 HKGF ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@H](Cl)O[C@@H]3Cl)[C@@]1(Cl)C2(Cl)Cl 100491843 LRWHHSXTGZSMSN-JEBNLHJCSA-N 411.754 5.224 50 1 HKGF in-vitro C[C@@]1(c2cccc(N=C=S)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587378736 WIRUKCYJYQRVJU-GGAORHGYSA-N 405.450 5.540 50 1 HKGF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@H](Br)C(C)C)CC2=O 587454614 ZCGIZYXTPLPSLC-YADHBBJMSA-N 417.343 5.625 50 1 HKGF O=C(Cl)c1ccccc1[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587495012 BFYNGADEKXNZRZ-SANMLTNESA-N 416.904 5.853 50 1 HKGF COc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1CCl 587684879 MOMVPGZITVKGTP-WLRWDXFRSA-N 412.730 5.133 50 1 HKGF O=C1C[C@](CBr)(c2ccc3c(c2)CCC3)Oc2c1ccc1c2CCCC1 587501771 XONGOZLCHARGRX-QHCPKHFHSA-N 411.339 5.310 50 1 HKGF COc1cc(/C(Cl)=C/C=C(\C#N)C(=O)c2c[nH]c3ccccc23)cc(OC)c1OC 1772639608 RTEPLOXMKYOKRK-FFXHMVKNSA-N 422.868 5.106 50 1 HKGF CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C(C)(C)CCCCBr)cc1OC2(C)C 13679516 RJPGJHLVEUSRRA-QZTJIDSGSA-N 421.419 6.846 50 1 HKGF COC(=O)[C@H](C)[C@@H]1CC[C@@](C)(CC/C=C(\C)CCC2=C(C)C(=O)CCC2(C)C)OO1 238743416 CAFIDQGCHNMPFD-CJKRUSJWSA-N 420.590 5.877 50 1 HKGF C[C@@H](c1ccc(CBr)cc1)c1nc2ccc(OCc3ccccc3)cc2[nH]1 586973186 GMKPVHYLMIJBMI-INIZCTEOSA-N 421.338 6.189 50 1 HKGF CCCc1c(O)ccc2c1O[C@@](CCl)(CC13CC4CC(CC(C4)C1)C3)CC2=O 587457909 DGZBSMNLVMNUDK-JJHVHIABSA-N 402.962 5.894 50 1 HKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCCC[C@@H]2Br)N1 587684419 QOLAWBISWFOZMK-VFVAKGGASA-N 405.149 5.045 50 1 HKGF C=C1[C@@H]2CCC(C)=C[C@@H]2C[C@H](C)[C@]1(C)CC[C@]1(C)CC[C@@H]([C@@H](C)C(=O)OC)OO1 2356435227 VSEZUKGTWQYFLZ-LVVIISLMSA-N 404.591 6.020 50 1 HKGF C[C@H]1C[C@@H](O)[C@@H](Br)C(C)(C)[C@]12CC[C@](C)(Cl)[C@@H](Br)C2 238768732 IDWIUXHNQBVESY-JWAKXMNJSA-N 416.625 5.108 50 1 HKGF COc1cccc(-c2c(CCCl)c(-c3ccccc3)nc3c2oc2ccccc23)c1 587358310 RENXQMGLBYGGJY-UHFFFAOYSA-N 413.904 7.105 50 1 HKGF Cc1cc(C)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1CCl 587682927 FBWQHLPKNTUASX-ASSNKEHSSA-N 424.785 6.050 50 1 HKGF C[C@@H]1CC[C@H](Br)C(C)(C)[C@]12CC[C@@](C)(Cl)[C@@H](Br)C2 2356753103 SJRIJFXUBVGUEG-NUNXZZDCSA-N 400.626 6.137 50 1 HKGF CCN(CC)c1nc(SC)nc2c1cnn2C[C@H](Cl)c1ccc(Cl)cc1 40914001 VKNRLQOYHCAPJL-HNNXBMFYSA-N 410.374 5.028 50 1 HKGF CC(C)(Cl)[C@H](Br)CC/C(CBr)=C(\Cl)CCl 73316108 NSQLVXCLUIIUAA-FCZSHJHJSA-N 401.397 5.674 50 1 HKGF O=C1C[C@@](CBr)(C2CCC(F)(F)CC2)Oc2c1ccc1c2CCCC1 587506191 MXHFWBPGAIEIBP-LJQANCHMSA-N 413.302 5.490 50 1 HKGF COc1cc2c(cc1OC)[C@@](CCCCCCl)(c1cccc(C)c1)N(C)[C@@H](C)C2 962619663 FFWRWEQCHQSBFO-UQBPGWFLSA-N 416.005 5.931 50 1 HKGF Fc1ccc([C@]2(CCCCCCl)NCCc3c(Cl)cc(Cl)cc32)cc1 963103940 HBXODSQMUAZMFJ-FQEVSTJZSA-N 400.752 6.321 50 1 HKGF C[C@@]1(c2ccc(Cl)s2)CC(c2ccc(Cl)s2)=C(C#N)C(=C(C#N)C#N)N1 1864086 SSGVXTHTVXDYFA-SFHVURJKSA-N 417.346 5.604 50 1 HKGF O=C(O)C[C@@H]1CC[C@@H]([C@H]2CC[C@H](CCCCCC[C@H]3C=C/C=C/C=C/C3)O2)OO1 195362653 DIHXQPVNIPQBLK-UHZFMADVSA-N 404.547 5.517 50 1 HKGF Cc1cc(/C=C(\C#N)c2nc3cncnc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587054232 DGRYYENTZPCGDR-VGOFMYFVSA-N 409.280 5.131 50 1 HKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCCl)(c2ccc(F)cc2)N1 587727701 CBVDEBOFNODVQH-ZMZPIMSZSA-N 400.694 5.134 50 1 HKGF O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc(F)cc2)[C@H]1c1ccc(F)cc1 587329804 DJSRHZDGWHODHY-RBBKRZOGSA-N 400.808 5.164 50 1 HKGF CCCc1c(O)ccc2c1O[C@@H](c1cccc(S(F)(F)(F)(F)F)c1)CC2=O 587469537 AEJKFEXBAMVUPW-QGZVFWFLSA-N 408.388 6.709 50 1 HKGF Cc1cc(C)c([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C 587544954 PSLYHISLHFRSNP-URXFXBBRSA-N 408.881 5.413 50 1 HKGF CC(C)CCOc1cc2nc(/C(C#N)=C\c3ccccc3)[nH]c2cc1Br 587187407 GWGNLTGBNVWISO-YBEGLDIGSA-N 410.315 5.814 50 1 HKGF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](Br)C(=O)C3)c1 587357664 KDZGBUBRSSLWES-GOSISDBHSA-N 408.251 5.218 50 1 HKGF O=C1C[C@](CCCBr)(c2ccc(F)cc2)Oc2c1ccc1c2CCCC1 587503062 KQIVIMQATMBEOG-JOCHJYFZSA-N 417.318 5.740 50 1 HKGF C[C@H](Cl)[C@]1(c2ccc(F)cc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 587724460 IDHIMQXXXDSCLA-AUSHCKSDSA-N 418.684 5.272 50 1 HKGF COc1ccc(OC)c(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1OC 587927535 VPPTWOLJFOELDL-UHFFFAOYSA-N 410.364 5.913 50 1 HKGF CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3[C@H](OO)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356603532 KJIGLXGIVLBXCF-OTJIFCMISA-N 418.662 6.857 50 1 HKGF Cc1c(Br)cnc2[nH]c([C@H](C)c3ccc(CBr)cc3)nc12 586974730 YTGHLEGOADIIGO-SECBINFHSA-N 409.125 5.076 50 1 HKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCCCCl)cc1 587544118 MPMADWDCRYVVAL-NFBKMPQASA-N 410.853 5.103 50 1 HKGF Cc1cc(F)c([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1F 587556910 KWSJWSLLTBNQAY-KNQAVFIVSA-N 416.807 5.075 50 1 HKGF CCOc1ccc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587686995 YJPRURNFALKBHW-CWTRNNRKSA-N 412.730 5.004 50 1 HKGF COc1cccc(C2(c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)CCCC2)c1 587930527 HHJNFHKGUMTCPJ-UHFFFAOYSA-N 418.431 7.089 50 1 HKGF O=C1C[C@@](CBr)(C2(c3ccccc3)CC2)Oc2c1ccc1c2CCCC1 587496861 AEFHTTQLYQEZFO-HSZRJFAPSA-N 411.339 5.396 50 1 HKGF COc1ccc2c(c1)[C@@]1(CCCC[C@H]1O[Si](C)(C)C(C)(C)C)N(C(C)C)CC2 962086614 CKILAXAYECGLCX-ISKFKSNPSA-N 403.683 6.121 50 1 HKGF CC(C)=CCC/C(C)=C/CCC1=CC=C(C=O)[C@](C)(CC/C=C(\C)CCC=C(C)C)C1 35077273 MSEURLSKNWUZIQ-YIPDUNJLSA-N 422.697 9.394 50 1 HKGF O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc([C@H](Cl)CCl)[nH]c12 587007600 GSAMXLWIYCFULZ-LLVKDONJSA-N 420.193 5.492 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)n(Cc3ccccc3)c1C)O2 587373963 UUZBPGULWDWGRF-DEOSSOPVSA-N 408.929 5.143 50 1 HKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCCCCl)cc1 587544124 MPMADWDCRYVVAL-OFNKIYASSA-N 410.853 5.103 50 1 HKGF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](CCBr)(c2ccc3c(c2)CCC3)N1 962945865 GYWRUDLDSRXBNO-YADARESESA-N 423.398 5.610 50 1 HKGF C=C1CCC=C(C)C[C@H](OC(=O)C=Cc2ccc(O)cc2)CC(C)(C)C[C@H]1OO 2356521465 ZDRHNSQPEYXBDI-FCHUYYIVSA-N 400.515 5.668 50 1 HKGF C[C@@]1(c2ccc(CCCl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587329994 ZGBHXOVHOUKQKT-UPVQGACJSA-N 410.872 5.587 50 1 HKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccccc1Cl)CC2=O 587456943 SUEGJWQILSRZDE-IBGZPJMESA-N 409.707 5.254 50 1 HKGF CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@H](Cl)c1ccccc1)CC2=O 587459079 MSDVRQOPORERGC-JWQCQUIFSA-N 406.909 6.186 50 1 HKGF CC[C@H](C)c1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587541501 CBOWWEKKLMFARG-ZYBREQRGSA-N 422.908 6.002 50 1 HKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(Cl)cc2)N1 587685218 ONVNFWMYBQLLPY-BMLIUANNSA-N 403.122 5.258 50 1 HKGF COc1ccc(Cl)cc1C#Cc1ccc(-n2c(C)cc(C(=O)CCl)c2C)cc1 587906438 FSMUYTYXSPNDEJ-UHFFFAOYSA-N 412.316 5.577 50 1 HKGF Cc1ccnc2c1CCN[C@]2(CCl)c1c(-c2ccccc2)n(C)c2ccccc12 963068789 CQTHILAXDSBHCG-RUZDIDTESA-N 401.941 5.177 50 1 HKGF O=C(/C=C/c1ccc(/C=N/NC(=O)c2cccc(Cl)c2)cc1)c1cccc(Cl)c1 1772653354 IEHTULFJIRJWAW-QNOSVCLUSA-N 423.299 5.653 50 1 HKGF CC(C)[C@H](C)C=CC[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]23C=C[C@@]2(C[C@@H](O)CC[C@]12C)OO3 2356490333 DXBFOXLIWFGNBY-ZTIYTSHVSA-N 414.630 6.228 50 1 HKGF [C-]#[N+]C1=C(c2ccc(F)cc2)NC(C(F)F)=C(C#N)[C@@H]1c1ccc2[nH]nc(C)c2c1 261088236 CYACZDGKXWSRQL-SFHVURJKSA-N 405.383 5.028 50 1 HKGF CCc1ccc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 587850079 XANPQLXECFYNKK-DYZYQPBXSA-N 402.760 5.229 50 1 HKGF C=C(Cl)[C@](Cl)(CCl)CC[C@H](Br)C(C)(C)Br 1639190 OIAPZPRVTLHFSD-WCBMZHEXSA-N 401.397 5.673 50 1 HKGF C[C@H](Cl)OC(=O)O/N=C1\C[C@H](c2ccccc2)N(C)[C@H](c2ccccc2)[C@@H]1C 299848926 PDVATKCRSBHEQS-HDQMSHIVSA-N 400.906 5.535 50 1 HKGF Cc1cccc2c3c(ccc12)-c1occ(CN(CCCl)CCCl)c1C(=O)C3=O 1772588857 OBFGSJBYBVAGPD-UHFFFAOYSA-N 416.304 5.067 50 1 HKGF C=C(C)[C@]1(CCC(C)=CCCC(C=O)=CC[C@@H](O)C2=CC(=O)OC2)CCC[C@@H]1C 2356309459 JBWGQHJYPJOQEK-QUURXOELSA-N 400.559 5.235 50 1 HKGF Cc1ccc(Cl)c(Nc2ccccc2C(=O)NCCBr)c1Cl 13438006 YLYYXIMYACYRSP-UHFFFAOYSA-N 402.119 5.170 50 1 HKGF C[C@@H](CCCCCCCCc1ccccc1)C[C@]1(C)C[C@]2(C)OC(=O)C[C@@H]2OO1 44361394 OWAXZSHAFBBOBX-INWJIATQSA-N 402.575 6.171 50 1 HKGF N#CC1=C(N)Oc2ccc(Sc3nc4ccccc4s3)cc2[C@H]1c1ccccc1 64446596 MOXMWSCUZFGQBX-OAQYLSRUSA-N 413.527 5.666 50 1 HKGF COc1cc(SC#N)ccc1/N=C/c1c(C)nn(-c2cccc3ccccc23)c1O 101627782 QHLJILGNAACLAL-DHRITJCHSA-N 414.490 5.372 50 1 HKGF CCCc1c(O)ccc2c1O[C@](CCl)(COc1ccc(C(C)C)cc1)CC2=O 587458100 GJWCHYBOZHSADI-HSZRJFAPSA-N 402.918 5.490 50 1 HKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCCCl)(c2ccc(O)cc2)N1 587686382 USBPJCOJJFBZNW-BLVKFPJESA-N 412.730 5.091 50 1 HKGF C[C@]1([C@H](Br)Cc2ccccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587500764 CVEJLQVYAXRZPE-IFMALSPDSA-N 417.318 5.435 50 1 HKGF N#CSC[C@@]1(c2ccccc2C(F)(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 587507305 LKMJXTHAHGNTOX-OAQYLSRUSA-N 417.452 5.659 50 1 HKGF O=[N+]([O-])c1ccc([C@]2(CCCCCl)NCCc3c(Cl)cc(Cl)cc32)cc1 963125241 SGRDRIJQATXEAT-IBGZPJMESA-N 413.732 5.700 50 1 HKGF CC(=CC=C[C@]1(C)CCCc2ccoc21)CCC[C@H](C)CC(=O)[C@H](O)[C@H](C)Cl 2356555072 IGLKUNSGZGFDPG-PKWOTWBQSA-N 406.994 6.130 50 1 HKGF C=C(C[C@H](C)C1=CCC[C@@H]2CCC3=CC(=O)CC[C@]3(C)[C@H]2CC[C@@]1(C)OO)C(C)C 2356802566 SKEROCLLSJUTTC-ZVHMEQHSSA-N 414.630 7.295 50 1 HKGF C=C(C)C1=CC2=CC[C@H]3[C@@](C)(CCC[C@@]3(C)C(=O)Oc3ccc([N+](=O)[O-])cc3)[C@H]2CC1 2356849048 BHHOISVHWJKJHR-NLJWQWLVSA-N 421.537 6.556 50 1 HKGF N#C/C(=C(/N)Sc1ccccc1N)c1cccc([C@H](O)c2ccc3ccccc3c2)c1 38145360 WIHOMMHYFAQSOS-ZIIZBSPPSA-N 423.541 5.447 50 1 HKGF CN(C(=O)/C(C#N)=C(\O)c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1 100870751 VSZXHSOFOAFTPY-NXVVXOECSA-N 414.305 5.180 50 1 HKGF CC[C@@H]1/C(=N/OC(=O)O[C@H](C)Cl)C[C@H](c2ccccc2)N(C)[C@H]1c1ccccc1 299848913 OJRZNSBREGNNNV-AVRJBQHZSA-N 414.933 5.925 50 1 HKGF COC(=O)c1ccc(Oc2ccc3nc(/C(C#N)=C\c4ccc(C)cc4)[nH]c3c2)cc1 587187865 LSFLGFPEXUGTEF-UYRXBGFRSA-N 409.445 5.514 50 1 HKGF CC(C)c1ccc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587687334 ZYSGNGUULJJKCM-XCLFUZPHSA-N 410.758 5.728 50 1 HKGF Cc1cc(C)c([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C 587687749 HQLCBAYGCVFZPO-VBKZILBWSA-N 410.758 5.530 50 1 HKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCCCl)(c2cccs2)N1 587847945 NBARXYXHIDXJDQ-PIGZYNQJSA-N 402.760 5.447 50 1 HKGF CC(=CC=C[C@]1(C)CCCc2ccoc21)CCC[C@H](C)CC(=O)[C@@H](O)[C@@H](C)Cl 2356555073 IGLKUNSGZGFDPG-SMKKKYSBSA-N 406.994 6.130 50 1 HKGF CC[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@]34C=C[C@]5(C[C@@H](O)CC[C@]5(C)C3=CC[C@]12C)OO4 60044837 QRMRXDOWNSSATH-YCKLNDNWSA-N 412.614 6.148 50 1 HKGF Clc1ccc(CN(Cc2ccccc2)C2=NC[C@@H](CBr)S2)cc1 82052544 KRYUESQVLCZVTC-QGZVFWFLSA-N 409.780 5.209 50 1 HKGF O=C1c2ccccc2-c2cc(-c3cccc4nc(CCl)oc34)nc3ccc(O)c1c23 586986708 RQEAFBNTTWZMHD-UHFFFAOYSA-N 412.832 5.699 50 1 HKGF Fc1cncc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 587177047 MDWGZQMSADLURJ-UHFFFAOYSA-N 418.160 6.184 50 1 HKGF O=C1c2ccc(O)cc2O[C@@](CCl)(C2CCC(F)(F)CC2)[C@@H]1c1ccc(F)cc1 587330404 HHCZFWPSWWTVTA-KNQAVFIVSA-N 424.846 5.693 50 1 HKGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2cc(F)ccc2F)[C@@H]1c1ccc(F)cc1 587332013 KRRINSZNXIWGAL-IRLDBZIGSA-N 418.798 5.303 50 1 HKGF CCCCCCC=CC(=O)CCSSCCC(=O)CCCCCCCC 2356713685 PAQUAWJFPLKSOW-UHFFFAOYSA-N 400.694 7.563 50 1 HKGF N#CC(C#N)=C/C=C1\C=CC=CN1CC(=O)N1c2ccccc2Sc2ccccc21 95593698 PUPIHBMIRURKCE-CPNJWEJPSA-N 408.486 5.059 50 1 HKGF O=C1C[C@](CBr)(c2ccccc2Cl)Oc2c1ccc1c2CCCC1 587498868 JOQJTPUMAIATPD-FQEVSTJZSA-N 405.719 5.474 50 1 HKGF C[C@H](Br)[C@@]1(c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587499606 NSVXIDDANNIOLE-YEJXKQKISA-N 419.746 5.863 50 1 HKGF C=C1C[C@@](C)(CCCCCCCCC=CC=Cc2ccccc2)OO[C@@H]1CC(C)=O 2356838712 MCJQHCMNEVLPRM-KAYWLYCHSA-N 410.598 7.391 50 1 HKGF CCOC(=O)c1cnc2c(cnn2C[C@@H](Cl)c2ccccc2)c1Nc1ccccc1 13491830 RIMNISJAMVSUJF-HXUWFJFHSA-N 420.900 5.332 50 1 HKGF O=C1c2ccccc2-c2cc([C@@H](Br)c3ccccc3)nc3ccc(O)c1c23 586985379 VJBHBKIOVIKYCW-QFIPXVFZSA-N 416.274 5.636 50 1 HKGF O=C(/C=C/c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)Nc1ccc(F)cc1 587167900 ZPYRGICXTLKSQJ-BQYQJAHWSA-N 407.339 6.011 50 1 HKGF Cc1ccccc1[C@@]1(CCCCCl)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962759640 CNIBKOLPOXFGMY-PZJWPPBQSA-N 409.879 5.293 50 1 HKGF CCC[C@]1(c2ccccc2)OC(c2cc3ccccc3o2)=C(C#N)[C@@H]1c1ccccc1 103295344 YIZGRTPEGLFSQI-XTEPFMGCSA-N 405.497 7.177 50 1 HKGF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCCCBr)cc1)CC2=O 587455772 FRCNUHFPXYJYQL-FQEVSTJZSA-N 419.315 5.215 50 1 HKGF Cc1cc(C)c([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1C 587689319 RRHZBCBFTSJUOT-ASSNKEHSSA-N 424.785 5.838 50 1 HKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2oc(CCl)cc2c1 587886652 OJEVLPVXIBGUPB-UHFFFAOYSA-N 406.696 5.189 50 1 HKGF CC(=O)O[C@H]1C[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]2(C)[C@@H]2C[C@@H](O)C(C=O)=C[C@@]12C 15105540 SRMCXSOBWOJXSU-PJFQAKDASA-N 416.602 5.083 50 1 HKGF CCCCc1ccc2[nH]c(-c3ccc(CC)cc3)c(/C=N/NC(=O)c3ccncc3)c2c1 40422314 FQWPTFLLSPIEDM-RDRPBHBLSA-N 424.548 5.899 50 1 HKGF COC(=O)C[C@@]1(O)CC[C@](C)(C[C@@H](C)CCCCCC/C=C/c2ccccc2)OO1 49775019 SFMXRZYCEROIED-KVFKDUEASA-N 418.574 5.819 50 1 HKGF O=C1c2ccccc2-c2cc(-c3ccc(O)c(CCCl)c3)nc3ccc(O)c1c23 586986767 UKQVUMKCCYBYTB-UHFFFAOYSA-N 401.849 5.306 50 1 HKGF CC(=O)CCCC(C)(C)C(=O)CCC(C)=CCC[C@]1(C)CC[C@H]([C@@H](C)C(=O)O)OO1 2356409823 UCWHHFGTUDDROG-YOSAUDMPSA-N 424.578 5.438 50 1 HKGF CC1(C)[C@H](C(Cl)Cl)[C@@]2(Cl)[C@@H](Cl)[C@@H](Cl)[C@@]1(Cl)C2(Cl)Cl 169296658 HRBUJQUHXGOSQW-WZLWAGCWSA-N 413.814 5.804 50 1 HKGF O=C(Cl)c1ccc(N=Nc2ccc(C(=O)c3coc4ccc(Cl)cc34)cc2)cc1 587279048 UVRJGNHMNYJIIU-UHFFFAOYSA-N 423.255 7.112 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1c[nH]c3ccccc13)([C@@H](Cl)c1ccccc1)O2 587374348 XCBHQRAHQMERBX-LOSJGSFVSA-N 416.908 5.899 50 1 HKGF Cc1cc(C)c([C@]2([C@@H](C)Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C 587688391 MCIDSIPUQYQQOP-ZSDSOXJFSA-N 424.785 5.919 50 1 HKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1c(Cl)ccc(F)c1Cl)CC2=O 587465293 GUTLCOWMPFRIRS-LJQANCHMSA-N 417.691 5.890 50 1 HKGF O=C1C[C@](CCCl)(c2ccc(Br)cc2)Oc2c1ccc1c2CCCC1 587495653 DVJPHNNQPWJKJM-OAQYLSRUSA-N 419.746 5.818 50 1 HKGF ClC1=C(Cl)[C@]2(Cl)[C@@H]3[C@H](Cl)[C@@]4(Cl)O[C@@H]4[C@@H]3[C@@]1(Cl)C2(Cl)Cl 100898128 VWGNQYSIWFHEQU-SGRHVPRASA-N 423.765 5.019 50 1 HKGF in-vitro FS(F)(F)(F)(F)c1ccc2nc(CSc3nnc(S)s3)[nH]c2c1 587026438 XCYFZOXGXVJVRJ-UHFFFAOYSA-N 406.452 5.653 50 1 HKGF Oc1ccc(-c2nc(-c3ccc(Oc4cccc(CBr)c4)cc3)no2)cc1 653770018 VCDHXDHRBSXQIK-UHFFFAOYSA-N 423.266 5.796 50 1 HKGF Fc1cc(S(F)(F)(F)(F)F)ccc1[C@@H]1c2c(F)cccc2C[C@H]2CCCN21 963106837 NYTLYZOQKZWVKZ-KZULUSFZSA-N 411.386 6.732 50 1 HKGF O=C(N/N=C/c1ccc(F)cc1)c1cc(-c2ccc(Cl)cc2)n(-c2ccccc2)n1 103293957 ORZWCXQPSNXQSH-CVKSISIWSA-N 418.859 5.096 50 1 HKGF C=CC[C@@H]1[C@H]2[C@H](C)C=C[C@H]2C[C@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 221738899 UZJXFOXHHAQIRU-JQORZIESSA-N 416.681 5.966 50 1 HKGF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](CCBr)CC3)c1 587361579 WECQMFHFXSLTBZ-AWEZNQCLSA-N 422.322 6.471 50 1 HKGF Cc1cc(/C=C(/C#N)c2nc3ccnc(N)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587056699 QKFMEAHQKXAWBO-ZROIWOOFSA-N 423.307 5.319 50 1 HKGF Cc1ccc(/C=C(/C#N)c2nc3c(Br)ccc(Br)c3[nH]2)cc1 587187120 CNWDBAQRNNEKTH-WQLSENKSSA-N 417.104 5.461 50 1 HKGF C[C@@]1(c2ccc(CCCl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587329995 ZGBHXOVHOUKQKT-VWNXMTODSA-N 410.872 5.587 50 1 HKGF Cc1cc(C)c([C@]2([C@@H](C)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C 587688386 MCIDSIPUQYQQOP-PZPWOCDFSA-N 424.785 5.919 50 1 HKGF COc1ccc(Cl)cc1C#Cc1cc(Cl)ccc1OCCBr 587899052 YFJCPRNVXFSVHH-UHFFFAOYSA-N 400.099 5.176 50 1 HKGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](CCBr)(c2ccc3c(c2)CCC3)N1 962945863 GYWRUDLDSRXBNO-DVECYGJZSA-N 423.398 5.610 50 1 HKGF O=C1c2ccccc2-c2c(CCCl)c(-c3ccc(Cl)s3)nc3cccc1c23 587207078 AYOZPGLYTBJQNF-UHFFFAOYSA-N 410.325 6.609 50 1 HKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(C(C)(C)C)cc2)N1 587689931 XURPYECNNAAKPG-YEJXKQKISA-N 424.785 5.902 50 1 HKGF CC1=C(CC[C@]2(C)CC[C@H]([C@@H](C)C(=O)O)OO2)[C@@]2(C)CCCC(C)(C)[C@@H]2CC1=O 42806990 LMYASVRPTJJACG-BMDKEWNISA-N 406.563 5.479 50 1 HKGF Cc1ccc(C)c([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587324992 BJSVBPLWASMHJE-UPVQGACJSA-N 410.872 5.641 50 1 HKGF O=C(CSc1nnc(-c2ccc(N=C=S)cc2)o1)c1ccc(Cl)cc1Cl 22062926 MGEPFQZVVFAFKA-UHFFFAOYSA-N 422.318 5.753 50 1 HKGF CCOc1ccccc1[C@H]1C(C#N)=C(C)N=C2C[C@@H](c3ccc(Cl)cc3)CC(O)=C21 103637233 KKQOBLSIWYXZNW-OSPHWJPCSA-N 418.924 6.464 50 1 HKGF CC(C)(F)[C@@H](Br)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 587087424 QHJIQGGTVXCCMJ-VIFPVBQESA-N 407.127 5.785 50 1 HKGF Cc1ccc([C@@]2(CCCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587329281 XPLHCJYZKQSFJO-ISKFKSNPSA-N 410.872 5.723 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(CC(C)C)cc1)([C@@H](C)Br)O2 587374173 OJJDZXPXWFRHGT-IVZQSRNASA-N 416.359 5.420 50 1 HKGF CC(C)[C@@H](Br)[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587500115 QMIQGBQDWICOMT-PKTZIBPZSA-N 413.355 5.846 50 1 HKGF CN(C)CCSSCCC(=O)Nc1ccccc1Nc1ccc(Cl)cc1 618007771 PICQPHNCPFWHMZ-UHFFFAOYSA-N 410.008 5.355 50 1 HKGF Cc1cc2nc(-c3ccc(C(=O)N/N=C/c4cccc(Cl)c4)cc3)[nH]c2cc1C 1857582488 AANUZXOAOVTYCX-DHRITJCHSA-N 402.885 5.264 50 1 HKGF C=CCCC=CC=CCCCCCC[C@@H]1CC[C@H]([C@@H]2CC[C@H](CC(=O)O)OO2)O1 2356490203 AAJUINQOJSADQB-ODAXIHTASA-N 406.563 5.907 50 1 HKGF CCCC[C@@H](C(=O)Nc1ccccc1)C(=O)N(Nc1ccccc1)c1ccccc1 5821665 DSDSFJHAONXGON-QHCPKHFHSA-N 401.510 5.492 50 1 HKGF biogenic O=C(Cc1ccccc1Nc1c(Cl)cccc1Cl)N/N=C/c1ccc(F)cc1 29123265 YNDNQQZLGRSWBN-DHRITJCHSA-N 416.283 5.569 50 1 HKGF COCc1cc(N)c(Nc2ccc(C#N)cc2)cc1Oc1c(C)cc(/C=C/C#N)cc1C 299837996 PWFCCUFSVZWDIE-SNAWJCMRSA-N 424.504 5.976 50 1 HKGF NC1CC(Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)C1 587255357 LYLKVNBRWNDZTH-UHFFFAOYSA-N 406.218 5.263 50 1 HKGF CC(C)COc1cccc(OCc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1 587565876 LWKJVZOKWRCKPA-UHFFFAOYSA-N 422.419 6.834 50 1 HKGF COc1cc([C@]2(C)c3ccc(F)cc3C[C@H]3CCCN32)ccc1OCCCCl 963098175 GDFIGJUUIDUXAV-AUSIDOKSSA-N 403.925 5.126 50 1 HKGF C=C(CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3C(C=O)=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 2356572369 ZGCGMYXRXTYHNJ-UIIOFAEKSA-N 412.658 6.734 50 1 HKGF CSc1ccc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587846730 REMAUQTVAZISQX-ADLMAVQZSA-N 414.771 5.327 50 1 HKGF CC(C)=C1C=C2CC[C@H]3[C@@](C)(CCC[C@@]3(C)C(=O)Oc3ccc([N+](=O)[O-])cc3)[C@@H]2CC1 2356845701 ASQBQLBVYUFWMH-MFYWSIJSSA-N 423.553 6.780 50 1 HKGF Nc1ccc(C(=O)N/N=C/c2cc(/N=N/c3cccc4ccccc34)ccc2O)cc1 101523496 DQKGBPUXEVJYAB-AFLDOIPMSA-N 409.449 5.307 50 1 HKGF C[C@H](c1ccc(CBr)cc1)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 586974368 VOSUWEWAJFKLFJ-SECBINFHSA-N 401.201 5.768 50 1 HKGF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@H](Cl)CCCCCCCCC3 587103101 BNRCCSMHXSDBAM-OAQYLSRUSA-N 403.953 7.403 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(C(C)(C)C)cc1)O2 587374090 NWIPFUIDEBBZRE-OAQYLSRUSA-N 402.332 5.130 50 1 HKGF COc1ccc2c(c1)[C@@H](c1ccc(OC)c(OCCCCl)c1)N(C(C)C)CC2 962085381 ADWJIRCAIDTQCO-HSZRJFAPSA-N 403.950 5.067 50 1 HKGF Cc1ccc(C(=O)/C(C#N)=C/c2cccc(Oc3ccc(Cl)c(Cl)c3)c2)cc1 1857536234 JWUWJOBRFKIKQG-WOJGMQOQSA-N 408.284 6.884 50 1 HKGF C[C@H](C(=O)O)[C@@H]1CC[C@](C)(CC[C@]2(O)[C@H](C)CC[C@@]3(C)C(C)(C)CCC[C@]23C)OO1 2356803507 XDZGQQRZJDKPTG-BCUOPMFLSA-N 424.622 5.740 50 1 HKGF CCCCCCCCCCCC/C=C\N(NC(C)=O)C(=O)CCCCCCCCC 96940451 NYVUWIGKYRITGH-GYHWCHFESA-N 422.698 7.832 50 1 HKGF Cc1ccc([C@]2([C@@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C 587323638 LOSWBYCBBMLNQQ-OYMMJLNRSA-N 424.899 6.030 50 1 HKGF CC1(C)[C@@H]2CC[C@@]1(CCl)[C@@]1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587326318 KSVIFWVOCVKQOA-OPJFBBAISA-N 414.904 5.694 50 1 HKGF CCCc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587544615 OONXWVOHDRQVTB-ZJSXRUAMSA-N 408.881 5.441 50 1 HKGF CC(C)Oc1cc2nc([C@H](Br)C(C)(C)F)[nH]c2cc1Br 587087938 ZDAHZMZXPACJLM-LBPRGKRZSA-N 408.109 5.297 50 1 HKGF Fc1cc(CCc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc(F)c1F 587137953 ADHGHLRHZLCTPL-UHFFFAOYSA-N 402.310 6.423 50 1 HKGF O=C(CCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)Nc1cccc(F)c1 587162229 IJBAQXRLBJSDGC-UHFFFAOYSA-N 409.355 5.931 50 1 HKGF CCc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587327313 OXUBIIBLJSRPAJ-VWNXMTODSA-N 410.872 5.587 50 1 HKGF CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)[C@H](CO)[C@H]4N=C=S 653747387 CPEWTGNCLJCRQR-QLSAUNAQSA-N 419.631 5.042 50 1 HKGF C=C(c1ccc(Oc2ccc(-c3ccccc3)cc2)cc1)[C@H]1COC2(CCCC2)OO1 58506719 YLYGOGPAJSJBII-AREMUKBSSA-N 414.501 6.776 50 1 HKGF CCCCCCC#Cc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1ccc1ccccc21 73402664 AUZMDKQXPIFNKV-AREMUKBSSA-N 406.529 6.380 50 1 HKGF CC[C@@H]1C(=O)C[C@@H](c2ccc(Cl)cc2)N(C(=O)CCl)[C@@H]1c1ccc(Cl)cc1 103294578 NBOZASNOGSEHMN-LVCYWYKZSA-N 424.755 5.842 50 1 HKGF C=C(NC(C)=O)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587203416 NWSWWWIGVBQRKO-UHFFFAOYSA-N 406.174 5.090 50 1 HKGF COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)n(-c4cccc(C)c4)c1C)[C@@H](C2)C3=O 587418003 QZGWBBLPLMECJX-OFVILXPXSA-N 421.924 5.293 50 1 HKGF CC[C@H](C)c1ccc2[nH]c(-c3ccccc3Br)c(NC(=O)CCl)c2c1 587638219 DBLBMVVIYSORHA-LBPRGKRZSA-N 419.750 6.288 50 1 HKGF CCCC[C@@H](Br)/C=C/C(=O)N(Cc1ccc(Cl)cc1)CC(C)C 103280983 MEHDAXMQVHUETL-XLNAKTSKSA-N 400.788 5.835 50 1 HKGF FS(F)(F)(F)(F)c1ccc2[nH]c(-c3ccc(-c4nccs4)s3)nc2c1 587023939 STOAALCUKBXSSE-UHFFFAOYSA-N 409.430 7.072 50 1 HKGF CC[C@]1(CCCBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587319626 CJDIMLHRSRNTGO-AZUAARDMSA-N 407.279 5.214 50 1 HKGF CCc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 587377443 RKADRFMVGUYLNO-UNMCSNQZSA-N 416.901 5.648 50 1 HKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCCCCl)cc2)N1 587682465 CKODQUFCIICGFM-HXPMCKFVSA-N 412.730 5.220 50 1 HKGF Cc1cc(C)c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1CCl 587687319 ZWNIJKAJDVVOMW-ZSEKCTLFSA-N 424.785 6.050 50 1 HKGF CC(C)Oc1cc2nc([C@@H](Br)C(C)(C)F)[nH]c2cc1Br 587087937 ZDAHZMZXPACJLM-GFCCVEGCSA-N 408.109 5.297 50 1 HKGF Cc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)c1 587327339 PICGNCUBTMGHIN-LADGPHEKSA-N 410.872 5.641 50 1 HKGF CCCc1c(O)ccc2c1O[C@@](CCl)(Cc1ccc(Br)cc1)CC2=O 587457843 NZYSFGOQNLAESL-FQEVSTJZSA-N 423.734 5.293 50 1 HKGF CCCc1c(O)ccc2c1O[C@](CCCl)(c1ccc(Br)cc1)CC2=O 587458298 RMOJATWWXJGLSQ-FQEVSTJZSA-N 423.734 5.597 50 1 HKGF Cc1sc2c(c1C)CCN[C@@]2(c1c[nH]c2ccccc12)[C@H](Cl)c1ccccc1 963029316 RLAIPGSWZOWGFM-VWNXMTODSA-N 406.982 6.216 50 1 HKGF Cc1cc(Nc2cc(Br)cc(S(F)(F)(F)(F)F)c2)nc(N)n1 1772646146 OMKWNSMQCVGBGS-UHFFFAOYSA-N 405.190 5.531 50 1 HKGF C[C@@H](CCCC/C=C/CC/C=C\c1ccccc1)C[C@]1(C)C[C@](C)(CC(=O)O)OO1 44431559 CRORVGKIBBBYNQ-HYBOCTINSA-N 414.586 6.967 50 1 HKGF N#C/C(=C/c1ccccc1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 587188808 VSMAERHJRSKHNX-WDZFZDKYSA-N 408.177 5.288 50 1 HKGF CC(C)[C@H](NC(=O)OC(C)(C)C)[C@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 587497237 HVXXTTMAHVBOHY-NZQKXSOJSA-N 421.965 5.058 50 1 HKGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](C)(c2ccc(NC(=O)CCCCl)cc2)N1 962963335 YXLITNLCKJZHHG-MZNJEOGPSA-N 409.961 5.313 50 1 HKGF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@@H](Cl)c1ccccc1)CC2=O 587459071 MSDVRQOPORERGC-DQEYMECFSA-N 406.909 6.186 50 1 HKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)s1 587842478 FPGDRGRSNWZELP-HUTHGQBESA-N 402.760 5.283 50 1 HKGF CC1(C)O[C@](C)([C@H]2CC[C@](C)(Cl)[C@@H](Br)C2)CC[C@@H]1Br 238778622 FIHHUYBIKUKVFD-YLXLXVFQSA-N 416.625 5.659 50 1 HKGF CC(=O)O[C@@]1(C)CC[C@H]2C[C@H]1OO[C@]2(/C=C\c1ccc(Cl)cc1)c1ccccc1 299849775 VPMHPVYGIYMHSO-SCNNJTHVSA-N 412.913 5.701 50 1 HKGF Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccon1 587499985 XBIVZMOAPIBPAQ-QHCPKHFHSA-N 410.901 5.060 50 1 HKGF O=C1C[C@@](CBr)(c2cc(F)ccc2Cl)Oc2c1ccc1c2CCCC1 587504967 PCTOJJCKTZFMFX-HXUWFJFHSA-N 423.709 5.614 50 1 HKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2c[nH]c3ccccc23)N1 587683262 GDTLEHRODSTYSJ-WLRWDXFRSA-N 407.714 5.086 50 1 HKGF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(CCCCCl)c1ccc(F)c(C)c1 963636652 RMUKWVGNPCRICR-MWTRTKDXSA-N 405.941 5.338 50 1 HKGF CC(=O)O/C=C/C(=C/OC(C)=O)CC/C=C(/C=O)CC/C=C(\C)CCC=C(C)C 14825035 NTRHQXONGRWBSG-DYVXZGHFSA-N 402.531 5.889 50 1 HKGF COC(=O)c1ccc(Oc2ccc3nc([C@H](Br)C(C)(C)F)[nH]c3c2)cc1 587087168 MOHDSKQLEMZFRQ-INIZCTEOSA-N 421.266 5.326 50 1 HKGF Cc1ccc([C@]2(CSC#N)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587371042 ZQBLZWVGDQGHLK-VWNXMTODSA-N 419.477 5.308 50 1 HKGF C/C(=C/CC[C@H](C)CC(=O)[C@@H](O)[C@@H](C)Cl)CCCc1coc(Cc2ccoc2)c1 34363971 WHSPRQDLSQTWAX-YJTNDXBTSA-N 420.977 6.096 50 1 HKGF N#CC1=C(/N=C\c2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)S[C@@H]2CCCC[C@H]12 36151615 KIBZYGPSCVIUCQ-JVIGRTJOSA-N 412.898 5.758 50 1 HKGF FS(F)(F)(F)(F)c1ccc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1 587041634 OFIGLPQTLYJJBL-CVEARBPZSA-N 421.460 6.167 50 1 HKGF CCCc1c(O)ccc2c1O[C@@](c1cccc(C)c1)([C@@H](C)Br)CC2=O 587457453 ZSTZODDZNMBEPC-SPLOXXLWSA-N 403.316 5.297 50 1 HKGF C[C@H](Br)[C@@]1(c2cc(F)ccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587501630 CMKXELSUZORHEO-LAJNKCICSA-N 421.281 5.488 50 1 HKGF CCCc1c(O)ccc2c1O[C@@](C)(c1ccccc1NC(=O)CCCCl)CC2=O 587460654 ONEJUMWMTUMZER-HSZRJFAPSA-N 415.917 5.183 50 1 HKGF CCCc1c(O)ccc2c1O[C@H](c1cccc(S(F)(F)(F)(F)F)c1)CC2=O 587469533 AEJKFEXBAMVUPW-KRWDZBQOSA-N 408.388 6.709 50 1 HKGF O=C1C[C@@](CCl)(c2ccc3c(c2)-c2ccccc2C3)Oc2c1ccc1c2CCCC1 587497289 ISSHPWRRSWOXOB-HHHXNRCGSA-N 414.932 6.236 50 1 HKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCCCCl)cc2)N1 587682956 FEKHDTWGTRWIDK-CWTRNNRKSA-N 412.730 5.220 50 1 HKGF C=C1CCCC(C)(C)[C@]1(O)CC/C(C)=C/CC[C@@]1(C)CC[C@H]([C@H](C)C(=O)OC)OO1 653730277 RZBOFZRCMWQHOO-MBSCKGESSA-N 422.606 5.669 50 1 HKGF C=CCNc1cc(Oc2c(C)cc(/C=C/C#N)cc2C)nc(Nc2ccc(C#N)cc2)n1 1857643248 ZXUVEHDYERBNKG-AATRIKPKSA-N 422.492 5.636 50 1 HKGF O=C(NCCCl)NCCCCN1c2ccccc2Sc2ccc(Cl)cc21 73225047 ZJUKHSUBRARKRH-UHFFFAOYSA-N 410.370 5.261 50 1 HKGF Cc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C 587329303 XSAQNJHISVAJJN-LADGPHEKSA-N 410.872 5.641 50 1 HKGF Cc1cc(C)c([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C 587687751 HQLCBAYGCVFZPO-XOBRGWDASA-N 410.758 5.530 50 1 HKGF Cc1ccc2ccc3c(c2n1)OC(/N=C/N(C)C)=C(C#N)[C@@H]3c1ccc(Cl)cc1 103198956 ODRJEPGQOJHUQG-VEDIRDOVSA-N 402.885 5.046 50 1 HKGF C[C@H](c1ccc(CBr)cc1)c1nc2ccc(OCc3ccccc3)cc2[nH]1 586973188 GMKPVHYLMIJBMI-MRXNPFEDSA-N 421.338 6.189 50 1 HKGF Nc1ccc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c(C(F)(F)F)c1 587095322 DEVZSSQGPVUTOQ-UHFFFAOYSA-N 403.298 6.488 50 1 HKGF O=C1c2ccccc2-c2cc(-c3ccc(OCCCCl)cc3O)nc3cccc1c23 587103099 BLWKMSUZWRUDDH-UHFFFAOYSA-N 415.876 5.827 50 1 HKGF CCCc1c(O)ccc2c1O[C@@](CCCl)(c1ccc(C(C)(C)C)cc1)CC2=O 587460497 NGMXNZBCWBGKRN-XMMPIXPASA-N 400.946 6.132 50 1 HKGF COc1ccc(C)cc1[C@@]1(CBr)CC(=O)c2ccc3c(c2O1)CCCC3 587496987 BBOUYAHFRMOPNG-QFIPXVFZSA-N 415.327 5.138 50 1 HKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ccc(Cl)cc1 587546657 XBVLPASPYCKILH-RXVVDRJESA-N 401.245 5.142 50 1 HKGF COc1ccc(/C=C/Cc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c(OC)c1 587928947 INKMKRCXPQQKRU-ONEGZZNKSA-N 420.403 6.493 50 1 HKGF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](CBr)(c2ccccc2Cl)N1 962957229 OASZQKNKPULVKS-RBZFPXEDSA-N 403.751 5.384 50 1 HKGF C/C1=C\[C@H](OC(=O)NCCCl)C[C@](C)(O)/C=C/[C@H](C(C)C)CC/C(C)=C/CC1 29042281 ASERFLMHCJBCPH-UOOYGCKUSA-N 412.014 5.756 50 1 HKGF C[C@]1(c2ccc(NC(=O)CCCCl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587498203 MNLGFKQXMYTVNX-XMMPIXPASA-N 411.929 5.404 50 1 HKGF CC=CCCCCCCCCCCCCC[C@]1(OC)C=C[C@@H](CC(=O)OC)OO1 2356806692 VWCFIIQGQOPFRB-LADGPHEKSA-N 410.595 6.426 50 1 HKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2c[nH]c3ccccc23)N1 587682413 CCHLFROILWJEFB-NSPYISDASA-N 407.714 5.086 50 1 HKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(C2CCC(F)(F)CC2)N1 587722922 UMIVHSHIGBUAFA-DYZYQPBXSA-N 410.705 5.382 50 1 HKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCCl)(c2ccc(F)cc2F)N1 587724444 IBMVATBWXBJTNO-MGNBDDOMSA-N 418.684 5.273 50 1 HKGF Cc1ccc2c3c(c4c(nc13)[C@H](Cl)CCCCCCCCC4)-c1ccccc1C2=O 586994401 ZZZAOZYEPPUBRO-JOCHJYFZSA-N 417.980 7.711 50 1 HKGF C[C@H](Cl)[C@@]1(c2c[nH]c3ccccc23)N[C@H](C)Cc2cc(Br)c(F)cc21 587689829 WUNFZMXQENWJKC-XAAFQQQXSA-N 421.741 5.475 50 1 HKGF COc1ccc(Cl)cc1C#Cc1ccc(/C=C(\C#N)c2ccc(Cl)cc2)cc1 587905769 HQWPVKNWSGDBDJ-KGENOOAVSA-N 404.296 6.466 50 1 HKGF CSc1ccccc1[C@]1(CBr)CC(=O)c2ccc3c(c2O1)CCCC3 587533389 SSKZQWPLDKHNIG-OAQYLSRUSA-N 417.368 5.543 50 1 HKGF N#CSc1c(-c2ccc(F)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587625699 MGYQRJDIZDMNFB-UHFFFAOYSA-N 404.310 6.585 50 1 HKGF Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(Cl)cc1N=C=S 587896407 MQLWOVVLTXYNHQ-UHFFFAOYSA-N 423.752 5.400 50 1 HKGF N#CCCc1c(SSc2[nH]c3ccccc3c2CCC#N)[nH]c2ccccc12 13734659 BWFSEWLGHWAHGL-UHFFFAOYSA-N 402.548 6.361 50 1 HKGF CCCCCc1ccc2[nH]c(-c3ccc(C(F)(F)F)cc3)c(C=C(C#N)C#N)c2c1 35088794 KAWAGFJMPFZOQP-UHFFFAOYSA-N 407.439 7.017 50 1 HKGF CC(C)(C)[Si](C)(C)O[C@H]1C(=O)C=CN(C(=O)Oc2ccccc2)[C@@H]1c1ccccc1 210989678 LCUYZTZDQIWAJW-YADHBBJMSA-N 423.585 5.716 50 1 HKGF Cc1cc(/C=C(/C#N)c2nc3c(N)ccnc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587058327 YFCKUKRMXZPWOY-ZROIWOOFSA-N 423.307 5.319 50 1 HKGF O=C1c2ccc(O)cc2O[C@]2(CCC[C@H]2CCBr)[C@H]1c1ccc(F)cc1 587319175 ANJDSSZIRCTKHA-JBYOLUDKSA-N 419.290 5.214 50 1 HKGF Cc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C 587329305 XSAQNJHISVAJJN-VWNXMTODSA-N 410.872 5.641 50 1 HKGF CCn1c(C)cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587686655 DEVXOKLZDWYZLO-WLRWDXFRSA-N 413.762 5.043 50 1 HKGF CC(=CC=C[C@]1(C)CCCc2ccoc21)CCC[C@H](C)CC(=O)[C@@H](O)[C@H](C)Cl 2356555070 IGLKUNSGZGFDPG-GXBNZEJLSA-N 406.994 6.130 50 1 HKGF CC(=O)O[C@]1(C)[C@@H]2CC=C(C=O)[C@@H]1[C@@](C)([C@@H](C)CCC=C(C)C)[C@@H](C(C)=O)CC2 238754150 HPSPFNDWQCDWLW-CAYGUCQLSA-N 402.575 5.457 50 1 HKGF O=C1C[C@@](CBr)(c2ccc(F)c(F)c2)Oc2c1ccc1c2CCCC1 587504359 ISJTVCGVGHIAML-HXUWFJFHSA-N 407.254 5.099 50 1 HKGF CC(=O)N[C@@H](CCCC#CCC(Cl)Cl)CCCCCCC(Cl)Cl 85836113 XXUGBSMDILTLJG-OAHLLOKOSA-N 403.221 6.003 50 1 HKGF ClC1=C(Cl)[C@@]2(Cl)[C@H]3[C@H](Cl)[C@H](Cl)C[C@@H]3[C@@]1(Cl)C2(Cl)Cl 100074636 BIWJNBZANLAXMG-VXPKVOCBSA-N 409.782 5.683 50 1 HKGF in-vitro O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(/C=C\CBr)[nH]c12 586973162 FZDZAYCKAUPJLZ-DJWKRKHSSA-N 424.220 5.242 50 1 HKGF COc1cccc(-c2c(CCCl)c(-c3cccs3)nc3c2oc2ccccc23)c1 587366467 ROXDGSANXZYGKB-UHFFFAOYSA-N 419.933 7.166 50 1 HKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ccc(Cl)s1 587614173 RARGBQPLIPYCMF-VQIMIIECSA-N 407.274 5.203 50 1 HKGF COc1ccc([C@]2([C@@H](C)Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587687785 HYYWDVLGWZMHTK-CRTZDJKQSA-N 412.730 5.002 50 1 HKGF C=C[C@]1(C)C=C2CC[C@H]3[C@@](C)(CCC[C@@]3(C)C(=O)Oc3ccc([N+](=O)[O-])cc3)[C@@H]2CC1 2356819414 YLCYEPJEDYBKRZ-XMQSEMGDSA-N 423.553 6.635 50 1 HKGF C[C@H](CCCCCC/C=C\C=C\c1ccccc1)C[C@@]1(C)C[C@](C)(CC(=O)O)OO1 84615100 GBVSDTSXHOBZRG-OXAFUXSKSA-N 414.586 6.967 50 1 HKGF CC[C@@H](Br)[C@]1(c2ccc(Cl)cc2)CC(=O)c2cc(C)cc(N)c2O1 587373637 MPCOKXGZVQDOJG-IEBWSBKVSA-N 408.723 5.265 50 1 HKGF N#CSc1c(-c2ccc(F)cc2)nc2sc(Cc3ccc(Cl)cc3)nn12 71295145 LEVBCTAQHVEYFO-UHFFFAOYSA-N 400.891 5.414 50 1 HKGF Cc1cc(C)c([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C 587544955 PSLYHISLHFRSNP-XUZZJYLKSA-N 408.881 5.413 50 1 HKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H](Cl)c2ccc(F)cc2)N1 587737348 XCYRCWGZUOOHQT-KTTLUUMZSA-N 400.694 5.457 50 1 HKGF CCCC/C=C/[C@@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1OC 8020251 XBPZDGMKUBBJOT-QSOCIONNSA-N 419.505 6.001 50 1 HKGF C/C(=C\CCc1coc(Cc2ccoc2)c1)CCC[C@H](C)CC(=O)[C@H](O)[C@H](C)Cl 195349048 XJDJFTYVYSQNPJ-UESOOXQGSA-N 420.977 6.096 50 1 HKGF O=C1c2ccc(O)cc2O[C@](CCl)([C@H]2C[C@H]3CC[C@H]2C3)[C@H]1c1ccc(F)cc1 587328790 VPHWBRMZZFLEIA-NQHNINOMSA-N 400.877 5.304 50 1 HKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(C)c(F)c1)CC2=O 587467452 SFUQVWWWJIZFJY-HXUWFJFHSA-N 407.279 5.048 50 1 HKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCCl)c1ccc(F)cc1F 587567098 DKOCQSXAGUMHPX-DENIHFKCSA-N 416.807 5.156 50 1 HKGF ClCc1[nH]c2c(c(Br)cc3n[nH]cc32)c1C12CC3CC(CC(C3)C1)C2 587621429 UDIPSBRAUVFIEV-UHFFFAOYSA-N 418.766 6.013 50 1 HKGF C=C1CC[C@H]2C(C)(C)[C@@H](Br)CC[C@]2(C)[C@@H]1Cc1cc(O)c(C=O)cc1O 95601166 KYHAUNCXNLJHDG-MOFCZTIZSA-N 421.375 5.625 50 1 HKGF FC(F)(F)c1c(Br)ccc2nc(CCCCBr)[nH]c12 586972543 WIQPXKIHHQASNC-UHFFFAOYSA-N 400.036 5.062 50 1 HKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(Cc2ccccc2Cl)N1 587689798 WIXXDEDGHIEQSN-ADLMAVQZSA-N 417.149 5.453 50 1 HKGF C[C@@H](Br)[C@]1(c2ccccc2)c2ccsc2CCN1Cc1ccco1 962701915 FHEKOGQKINENAZ-QRWLVFNGSA-N 402.357 5.426 50 1 HKGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(N(CCCl)CCCl)cc2)N1 962953279 QNLMHJNPONDCPG-VGSWGCGISA-N 416.396 5.466 50 1 HKGF CC(=NNC(=O)c1ccncc1)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CC=CC[C@]4(C)[C@H]3CC[C@@]21C 2356566818 VQKFSRAIZXMPGG-POKRCOLZSA-N 419.613 6.012 50 1 HKGF C=C1C[C@H](O)[C@H](Br)C(C)(C)[C@@]12CC[C@](C)(Br)[C@H](Cl)C2 1658416 JPQFUHCOKXIWBB-CUZKYEQNSA-N 414.609 5.028 50 1 HKGF C[C@@]1(c2ccc(N=C=S)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587370658 AKAJPCCMKSDJQY-GMAHTHKFSA-N 405.450 5.540 50 1 HKGF N#CSC[C@]1(c2ccccc2C(F)(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 587507294 LKMJXTHAHGNTOX-NRFANRHFSA-N 417.452 5.659 50 1 HKGF CC1(C)C(Br)=C[C@@H]2O[C@]2(C)[C@@]12CC[C@](C)(Cl)[C@@H](Br)C2 14966243 LCVJEYNJCXTRIQ-IXDBCEGASA-N 412.593 5.394 50 1 HKGF COC(=O)C[C@@]1(O)CC[C@](C)(C[C@H](C)CCCCCCCCc2ccccc2)OO1 49793109 RKKBSUNIELNFSG-NQHRYMMQSA-N 420.590 5.738 50 1 HKGF FS(F)(F)(F)(F)c1ccc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2c1 587076469 LNHMIFIPHLNTAH-OAHLLOKOSA-N 423.794 6.491 50 1 HKGF C[C@H](Cl)[C@]1(c2ccc(F)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587559436 XKHPHZGDVDIJJX-UJOSWYDYSA-N 416.807 5.155 50 1 HKGF COc1cccc2c3c(cnc12)CCN[C@@]31CCCCCCCCCC[C@@H]1Cl 963046883 LKOMWXXRJXSFGX-XUZZJYLKSA-N 400.994 6.106 50 1 HKGF COC(=O)[C@H](C)[C@@H]1CC[C@](C)(CC[C@]2(C)[C@H](C)CC[C@]3(C)[C@H](C)CCC[C@@]32O)OO1 2356807400 WIFGSAPFSACDQM-WKONBVNXSA-N 424.622 5.439 50 1 HKGF CCO/C(O)=C1\C(C[S@@](=O)c2ccccc2)=NC(C)=C(C#N)[C@H]1C1CCCCC1 40685266 KOBLDOREUGIFTN-QZJMNUOMSA-N 412.555 5.049 50 1 HKGF ClC[C@H](Cc1ccccc1Cl)CN1CCC2(CC1)OCCc1ccsc12 84687316 LRBPXNPMLVTUDC-INIZCTEOSA-N 410.410 5.363 50 1 HKGF Cc1ccc2c3c(cc(-c4ccc(CBr)cc4)nc13)-c1ccccc1C2=O 586993165 JAFIPEYAIZGSPQ-UHFFFAOYSA-N 414.302 6.317 50 1 HKGF O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(C(Cl)Cl)[C@H]1c1ccc(F)cc1 587325804 ZHRJKDGQRJOQHC-SIKLNZKXSA-N 417.263 5.589 50 1 HKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc3c(c2)CCCC3)N1 587685334 PQXQDVRAJWRTSX-YEJXKQKISA-N 422.769 5.484 50 1 HKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc3c(c2)CCC3)N1 587687074 YQTPENCVGVFWRQ-MPBGBICISA-N 408.742 5.094 50 1 HKGF CC(C)=CCc1cc(C=C(C#N)C(C#N)=Cc2ccc(O)c(CC=C(C)C)c2)ccc1O 2356381291 HLKVIBAPKJHKOQ-UHFFFAOYSA-N 424.544 6.629 50 1 HKGF CC1=C(CCC(C=O)=CC[C@@H]2OC(=O)C=C2CO)[C@@]2(C)CCCC(C)(C)[C@H]2CC1 2356505674 LJXILPIFWYMKCJ-SGIRGMQISA-N 400.559 5.069 50 1 HKGF C=C1CCC[C@@H]2[C@@](C)(CC[C@@]3(C)CC[C@@H]([C@H](C)C(=O)OC)OO3)[C@H](C)CC[C@@]12C 140145121 XZMSFDWECPXXRJ-YDLWURSQSA-N 406.607 6.244 50 1 HKGF FS(F)(F)(F)(F)c1ccc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c2c1 587080333 LZQAJOLMJLYLIK-UHFFFAOYSA-N 407.795 6.877 50 1 HKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(F)cc1F 587713706 CVSKHTAXRUPKSJ-MLCYQJTMSA-N 418.684 5.191 50 1 HKGF COc1ccc([C@H](O)[C@@H](C)c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 587938376 VVGLRBKWOBQUIV-QLJPJBMISA-N 408.392 6.066 50 1 HKGF O=C1C[C@@H](c2ccc(OCCBr)cc2)Oc2c1ccc1c2CCCC1 587498185 FYZSRZSOMZAZEI-FQEVSTJZSA-N 401.300 5.046 50 1 HKGF COc1ccc([C@]2([C@H](C)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587686205 BXXZSNGRLIPEOV-UFYHVXEKSA-N 412.730 5.002 50 1 HKGF C=CCCC=CC=CCCCCCC[C@@H]1CC[C@H]([C@H]2CC[C@@H](CC(=O)O)OO2)O1 2356490202 AAJUINQOJSADQB-KAOXLYBCSA-N 406.563 5.907 50 1 HKGF CC(C=O)=CCCC(C)=CCCC(C)=CCCC(C)=CCOC(=O)C(C)=CC(=O)O 2356480389 AOJDLUWCHJXNCH-UHFFFAOYSA-N 416.558 5.885 50 1 HKGF CC(=CC=C[C@H](C)CCC[C@H](C)CC(=O)[C@@H](O)[C@@H](C)Cl)CCCc1ccoc1 2356593909 BCXQDRHCGIEATA-WWOUZDQESA-N 409.010 6.495 50 1 HKGF C[C@@H](CCCCCCCCCCCCCCI)CC(=O)O 27903152 HOYZTZPDXOPDDK-KRWDZBQOSA-N 410.380 6.604 50 1 HKGF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2/C(=C/[C@H]3OOCC4=C3C[C@@H](O)CC4)CCC[C@@]21C 102193812 WPWVACZRAWXVOS-DMKNHAEJSA-N 416.646 6.763 50 1 HKGF C[C@H](c1ccc(CBr)cc1)c1nc2c3ccccc3c3ccccc3c2[nH]1 586973766 ODIQPOQWWSUNIR-OAHLLOKOSA-N 415.334 6.916 50 1 HKGF C[C@]1([C@@H](Br)Cc2ccccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587500766 CVEJLQVYAXRZPE-RBBKRZOGSA-N 417.318 5.435 50 1 HKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(F)c(Cl)c2)N1 587719529 PUWBMSAOXGUHGL-XLFHBGCDSA-N 421.112 5.397 50 1 HKGF CC(C)C1=CC[C@@H]2C(=C1)CC[C@@H]1[C@@](C)(C(=O)Oc3ccc([N+](=O)[O-])cc3)CCC[C@@]21C 2356874016 XBFYDNRVELQHGC-IWOFBJJHSA-N 423.553 6.635 50 1 HKGF C=C1C[C@@H](O)[C@@H](Br)C(C)(C)[C@]12CC[C@@](C)(Cl)[C@H](Br)C2 6004296 KKDUTGUFMQDATD-FWZIUSJTSA-N 414.609 5.028 50 1 HKGF C=C(C(=O)OCCCCCCBr)[C@@H]1CC[C@H](C)[C@@H]2CC(=O)C(C)=C2C1 73294723 JBGDSDUCJNSYMS-QGTPRVQTSA-N 411.380 5.383 50 1 HKGF O=C1c2ccccc2-c2cc([C@H](Br)c3ccccc3)nc3ccc(O)c1c23 586985378 VJBHBKIOVIKYCW-JOCHJYFZSA-N 416.274 5.636 50 1 HKGF C[C@]1(c2ccc(CCCl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587329992 ZGBHXOVHOUKQKT-ISKFKSNPSA-N 410.872 5.587 50 1 HKGF N#CC1=C(N)Oc2c(cc(Cl)c3ccccc23)[C@@H]1c1cccc(Br)c1 1857616814 OKHUXAKHIQOUKK-SFHVURJKSA-N 411.686 5.474 50 1 HKGF CC(C)CC=C[C@H](C)[C@@H]1CC[C@@H]2[C@@]34C=C[C@@]5(C[C@H](O)CC[C@]5(C)C3=CC[C@@]12C)OO4 2356657364 CAUMZAZCOGASOU-MDKSVUAXSA-N 412.614 6.148 50 1 HKGF CC(C)[C@@H]1CC[C@]2(C)[C@@H]1CC[C@@]1(C)[C@@]2(C)CC[C@@H]2[C@H]3CCC=C(C=O)[C@@]3(C)CC[C@]21C 2356687469 QUGNUGVPSFQDGD-PIGCEWMZSA-N 424.713 8.233 50 1 HKGF C[C@H](CCCCCC/C=C/C=C/c1ccccc1)C[C@]1(C)C[C@](C)(CC(=O)O)OO1 137626580 GBVSDTSXHOBZRG-RCYVJFRTSA-N 414.586 6.967 50 1 HKGF COC(=O)[C@@H](C)[C@@H]1CC[C@](C)(CC[C@@H]2[C@@](C)(O)CC[C@@H]3C(C)(C)CCC[C@@]23C)OO1 142484509 UKQQQFDVYRDSMR-AOBQVEAZSA-N 424.622 5.439 50 1 HKGF CC(C)[C@H]1CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CCC=C(C=O)[C@@]5(C)CC[C@@H]4[C@@]3(C)CC[C@]12C 255212467 GLQVZWPBANIBQW-GAOOKYTESA-N 424.713 8.233 50 1 HKGF C[C@@H](c1ccc(CBr)cc1)c1nc2cc3nc4ccccc4nc3cc2[nH]1 586974698 YONCMUPXADDUEM-ZDUSSCGKSA-N 417.310 5.706 50 1 HKGF Cc1ccc2c3c(cc(-c4cc(F)cc(CCl)c4O)nc13)-c1ccccc1C2=O 586995013 HIWATMWPKDEUPU-UHFFFAOYSA-N 403.840 6.005 50 1 HKGF COc1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2CCl)cc1 587625427 IBFPRYDCXHVQGZ-UHFFFAOYSA-N 407.741 6.620 50 1 HKGF Cc1ccc([C@]2([C@H](C)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C 587688402 MFXAUYJCXCINTG-CKNLXJGOSA-N 410.758 5.610 50 1 HKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(C(C)(C)C)cc2)N1 587689075 PLAFNYZAOFJSRC-YEJXKQKISA-N 424.785 5.902 50 1 HKGF CSc1cccc(-n2c(C)cc(-c3csc(C(C#N)=C4CCCC4)n3)c2C)c1 587924172 JRAWBFBLNYGLPA-UHFFFAOYSA-N 405.592 6.791 50 1 HKGF Fc1cccc2c1[C@@](CBr)(c1csc3ccccc13)N1CCC[C@H]1C2 963095206 CMFXLGRPEYCDON-YCRPNKLZSA-N 416.359 5.699 50 1 HKGF COC(=O)[C@H](C)[C@@H]1CC[C@@](C)(CCC=C(C)CCC=C(C)CCC=C(C)C)OO1 2356436413 LCYOYORSUQYOEM-GIFXNVAJSA-N 406.607 6.864 50 1 HKGF ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@@H]([C@H]4O[C@]4(Cl)[C@H]3Cl)[C@@]1(Cl)C2(Cl)Cl 101159060 VWGNQYSIWFHEQU-VXYSRONFSA-N 423.765 5.019 50 1 HKGF in-man O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc3c(c2)CCC3)[C@H]1c1ccc(F)cc1 587325714 GWFANYBSJOOKII-ZCYQVOJMSA-N 422.883 5.513 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cc(C)n(Cc3ccco3)c1C)([C@@H](C)Cl)O2 587373795 SVGGJTJOYGCYKR-MWTRTKDXSA-N 412.917 5.125 50 1 HKGF CCCCCC=CC[C@H](O[Si](C)(C)C)[C@@H](CCCCCCCC(=O)OC)OC 2356514837 NVKODTLOGVHURD-YADHBBJMSA-N 414.703 6.652 50 1 HKGF CC(C)=C1C=C2CC[C@H]3[C@@](C)(CCC[C@@]3(C)C(=O)Oc3ccc([N+](=O)[O-])cc3)[C@H]2CC1 2356845702 ASQBQLBVYUFWMH-NLJWQWLVSA-N 423.553 6.780 50 1 HKGF CC(=O)OC[C@@]1(C)CCC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](C=O)C(C=O)=CC[C@H]4C3=CC[C@@H]12 40894850 TYAAQNFJICIASZ-XGWBYYDQSA-N 412.570 5.069 50 1 HKGF CCc1c(C(=O)CCl)[nH]c(C)c1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587101691 KTAGFKITCGSDBS-UHFFFAOYSA-N 414.892 5.734 50 1 HKGF CCCc1c(O)ccc2c1O[C@H](c1ccc(S(F)(F)(F)(F)F)cc1)CC2=O 587471689 MGMWJHWXQBPWEV-KRWDZBQOSA-N 408.388 6.709 50 1 HKGF Cc1cc(C)c([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1C 587688727 NMVOZQMXYMGUCK-ASSNKEHSSA-N 424.785 5.838 50 1 HKGF FS(F)(F)(F)(F)c1ccc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1 587041635 OFIGLPQTLYJJBL-HOTGVXAUSA-N 421.460 6.167 50 1 HKGF O=C1C[C@](CCl)(c2cnc(N3CCCCC3)s2)Oc2c1ccc1c2CCCC1 587535951 QCBZSNDZUZAGGG-QFIPXVFZSA-N 416.974 5.112 50 1 HKGF C[C@H](CCCCCCCCc1ccccc1)C[C@]1(C)C[C@@H](C)[C@](O)(CC(=O)O)OO1 2356651255 GUSPWEANGOMOST-YENTXNKWSA-N 420.590 5.896 50 1 HKGF C=C(c1ccc(Oc2ccccc2)cc1)[C@H]1COC2(OO1)C1CC3CC(C1)CC2C3 58575675 CWUFKNVEXCMGEE-VGZYWQMWSA-N 404.506 5.992 50 1 HKGF CC(C)(C)OC(=O)/C=C/c1cccc([C@H]2C(C#N)=C(N)Oc3ccc4ccccc4c32)c1 73160746 OEZBHXWKCXHPHG-PSVMIJIFSA-N 424.500 5.413 50 1 HKGF CCCCOP(=O)(OCCCC)[C@H]1C(C#N)=C(N)Oc2c1cccc2C(C)(C)C 103250588 RARMYBCXGZHCFO-HXUWFJFHSA-N 420.490 5.938 50 1 HKGF O=C1C[C@@](CBr)(c2cccc3ccccc23)Oc2c1ccc1c2CCCC1 587500179 RMVQRRIYPPEHCA-XMMPIXPASA-N 421.334 5.974 50 1 HKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1F 587721509 WLAICMUADIBJGF-VOJFVSQTSA-N 400.694 5.052 50 1 HKGF Cc1cc([C@]2([C@H](C)Cl)c3ccc(F)cc3C[C@@H]3CCCN32)c(C)n1-c1ccccc1 963111950 WISAJESAHCRJAP-CZZAQMAHSA-N 422.975 6.125 50 1 HKGF ClC1=C(Cl)[C@@]2(Cl)[C@H]3[C@H](C[C@H](Cl)[C@@H]3Cl)[C@@]1(Cl)C2(Cl)Cl 169304775 BIWJNBZANLAXMG-OXCZQTFPSA-N 409.782 5.683 50 1 HKGF ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H](C[C@H](Cl)[C@@H]3Cl)[C@@]1(Cl)C2(Cl)Cl 169351609 BIWJNBZANLAXMG-SDTGROPXSA-N 409.782 5.683 50 1 HKGF CC(=O)N(N=Nc1ccc(C(F)(F)F)cc1C#N)c1ccc(C(F)(F)F)cc1 253680445 CYGHYTUZBNDFIA-UHFFFAOYSA-N 400.282 5.648 50 1 HKGF COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(C(C)(C)C)cc1)[C@@H](C2)C3=O 587415062 ZZDFGOVUEDGDNY-JTSKRJEESA-N 415.327 5.031 50 1 HKGF CCCc1c(O)ccc2c1O[C@](CSC#N)(c1ccc(Cl)cc1Cl)CC2=O 587494024 VXHJVTJOWHJVRI-HXUWFJFHSA-N 422.333 5.726 50 1 HKGF CCCCCCCC[C@@H](Cl)CCCC/C=C/CCC(=O)N(C)[C@H](CO)COC 1911574573 FTZLVCBIANZKJT-JAGOQAECSA-N 418.062 5.707 50 1 HKGF C#C/C=C/C[C@@H]1O[C@H](C/C=C(/Br)CC)[C@H](Br)C[C@@H]1Cl 111481411 NZHWXNQBZKBACG-YYTOSCLJSA-N 410.577 5.173 50 1 HKGF O=C1c2ccc(O)cc2O[C@]2(CCC[C@@H]2CCBr)[C@H]1c1ccc(F)cc1 587319183 ANJDSSZIRCTKHA-RFVSGWPVSA-N 419.290 5.214 50 1 HKGF COc1ccc2cc([C@]3(CCl)CC(=O)c4cc(C)cc(N)c4O3)ccc2c1Cl 587373094 PRPLQQHXNYDAPX-JOCHJYFZSA-N 416.304 5.492 50 1 HKGF CCCc1c(O)ccc2c1O[C@](c1ccc(Br)cc1)([C@@H](C)Cl)CC2=O 587458053 PIFAYYWIDPNLEM-ODXCJYRJSA-N 423.734 5.595 50 1 HKGF CC(C)[C@H](Br)[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587500114 QMIQGBQDWICOMT-GOTSBHOMSA-N 413.355 5.846 50 1 HKGF Cc1cc([C@]2(CCl)c3c(F)cccc3C[C@H]3CCCN32)c(C)n1-c1ccccn1 963106757 VXFOWODGQOMJMY-NTKDMRAZSA-N 409.936 5.131 50 1 HKGF CC[C@@H](C)n1cc(Cl)c(-c2nc3cc(S(F)(F)(F)(F)F)ccc3[nH]2)n1 587080529 QBRZZSAPBPUAHF-MRVPVSSYSA-N 400.804 6.708 50 1 HKGF O=C1c2ccc(O)cc2O[C@@](CBr)(C2CCCC2)[C@@H]1c1ccc(F)cc1 587324283 XMKPQNCRHSEOHE-CTNGQTDRSA-N 419.290 5.214 50 1 HKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCCl)(c2ccc(F)cc2)N1 587730754 KFCYXFMOZSHSLQ-VOJFVSQTSA-N 400.694 5.134 50 1 HKGF Cc1cc(C)c([C@]2(CCl)c3cccc(F)c3CCN2[C@H]2CCSC2)cc1C 962697851 IGCULZCEZRYTRL-MBSDFSHPSA-N 403.994 5.597 50 1 HKGF Cc1ccc(Oc2nc3ccccc3cc2[C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1 98081860 HPHGKUSOYSYKRI-HSZRJFAPSA-N 423.472 5.150 50 1 HKGF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@H](Cl)c1ccccc1)CC2=O 587459083 MSDVRQOPORERGC-RPBOFIJWSA-N 406.909 6.186 50 1 HKGF O=C(N/N=C/c1cc(Cl)cc(Cl)c1O)c1coc2c(Cl)cc(Cl)cc12 73298200 OEBXOYJRRADPSX-IGCPIRJNSA-N 418.063 5.516 50 1 HKGF Cc1ccc(/C=C(/C#N)c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc1 587189017 ZJIWMFAIJHNXNL-SDQBBNPISA-N 422.204 5.597 50 1 HKGF CC(=NNC(=O)c1ccncc1)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC=CC[C@]4(C)[C@H]3CC[C@]12C 2356566817 VQKFSRAIZXMPGG-MOLKNPTKSA-N 419.613 6.012 50 1 HKGF C[C@@H]1CC[C@H](Br)C(C)(C)[C@]12CC[C@@](C)(Cl)[C@H](Br)C2 2356753104 SJRIJFXUBVGUEG-OGMFBOKVSA-N 400.626 6.137 50 1 HKGF CCCCNc1nc(SC)nc2c1cnn2C[C@H](Cl)c1ccc(Cl)cc1 40913997 PHGQUQJRZPOAPX-HNNXBMFYSA-N 410.374 5.394 50 1 HKGF C=C(CCC1=C(C)CCCC1(C)C)[C@H](O)CC[C@]1(C)CC[C@H]([C@@H](C)C(=O)OC)OO1 103625716 BPXMABUZGFJCPY-PTGPVQHPSA-N 422.606 5.669 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)n(-c3cccc(F)c3)c1C)O2 587384727 NUBSTRZJQXGCGX-HSZRJFAPSA-N 412.892 5.223 50 1 HKGF C=C(CC[C@@H](O)c1ccc(Cl)cc1)[C@H]1COC2(OO1)C1CC3CC(C1)CC2C3 14176238 GLPSNSCSGRSQHK-USZZWKNDSA-N 404.934 5.209 50 1 HKGF CC1(C)[C@H](C(Cl)Cl)[C@@]2(Cl)[C@@H](Cl)[C@H](Cl)[C@@]1(Cl)C2(Cl)Cl 253951182 HRBUJQUHXGOSQW-INIMBGLGSA-N 413.814 5.804 50 1 HKGF C[C@@H](c1ccc(CBr)cc1)c1nc2ccc(F)c(Br)c2[nH]1 586974662 YDXGVWKECSVKTI-VIFPVBQESA-N 412.100 5.511 50 1 HKGF O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1 587327008 NYFZWRWSEWANHJ-RBBKRZOGSA-N 417.263 5.678 50 1 HKGF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](CBr)(c2c(F)cccc2Cl)N1 962949264 LBWCGTDENSCVKO-YUNKPMOVSA-N 421.741 5.523 50 1 HKGF COc1cc([C@@]2(C)c3ccc(F)cc3C[C@@H]3CCCN32)ccc1OCCCCl 963098187 GDFIGJUUIDUXAV-CVDCTZTESA-N 403.925 5.126 50 1 HKGF CCCN1[C@H](C)Cc2ccccc2[C@]1(C)c1oc2ccccc2c1NC(=O)CCl 963242984 QVAZIISAFPRCFL-VOIUYBSRSA-N 410.945 5.530 50 1 HKGF COC(=O)C[C@]1(C)C[C@@](C)(C[C@H](C)CC/C=C/CC/C=C/c2ccccc2)OO1 44431185 GHRPFHNYOPGKTO-HEBOXLHDSA-N 400.559 6.275 50 1 HKGF C=C(c1cccc2ccccc12)C1CCC2(CC1)CO[C@@H](Nc1ccc(C)cc1)OO2 64453625 XXRSSGVBVXLNCN-HCQXFFPYSA-N 415.533 6.465 50 1 HKGF CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1c(Cl)cccc1Cl)[C@@H](Br)C2=O 103113707 FHNPPLVMNBLNFV-JCURWCKSSA-N 419.146 5.091 50 1 HKGF C=CCC/C=C/C=C\CCCCCC[C@@H]1CC[C@@H]([C@@H]2CC[C@@H](CC(=O)O)OO2)O1 139158390 AAJUINQOJSADQB-IVRWNFHPSA-N 406.563 5.907 50 1 HKGF CC(C)[C@H]1CCC(=O)C[C@H]1CCCC[C@@H]1CC(=O)C[C@@H]1O[Si](C)(C)C(C)(C)C 195503601 YFMIIKKOFCPZSV-NNLJWKLDSA-N 408.699 6.558 50 1 HKGF COc1cc2c3c(c1)O[C@](CCCBr)(c1ccc(Cl)cc1)[C@@H](C2)C3=O 587414595 WKHSZXRYALYAGP-OXJNMPFZSA-N 421.718 5.167 50 1 HKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ccc(Cl)cc1 587546655 XBVLPASPYCKILH-NQIIRXRSSA-N 401.245 5.142 50 1 HKGF COc1ccc2[nH]cc(C(=O)/C(C#N)=C/C=C(\Cl)c3ccc(OC)c(OC)c3)c2c1 1772604416 YGVWTHRRVWEURW-PIDPYDIQSA-N 422.868 5.106 50 1 HKGF CC1=C(CC[C@](C)(O)C=CC[C@]2(C)CC[C@H]([C@H](C)C(=O)O)OO2)C(C)(C)CCC1 2356501648 IOPIOUHRQRYDMU-VKFKNLQPSA-N 408.579 5.581 50 1 HKGF CCc1ccc(CC)c([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587543681 LIVPADMFRLDQNS-RCZVLFRGSA-N 422.908 5.613 50 1 HKGF O=P(Oc1ccccc1)(Oc1ccccc1)[C@](O)(CCl)c1ccc(Cl)cc1 103235387 CLOLHBYRBPQONJ-HXUWFJFHSA-N 423.232 6.075 50 1 HKGF O=C1C[C@@](CCl)(c2sccc2Br)Oc2c1ccc1c2CCCC1 587533521 WQXGHNFONVBNLG-GOSISDBHSA-N 411.748 5.489 50 1 HKGF CC(=CCC[C@]1(C)CC[C@H]([C@H](C)C(=O)O)OO1)CC[C@@]12O[C@]1(C)CCCC2(C)C 2356582848 ZJDQUUJWNSJRQH-CQRLQNNPSA-N 408.579 5.821 50 1 HKGF CC1=C(Cc2cc(O)c(C=O)cc2O)[C@@]2(C)CC[C@H](Br)C(C)(C)[C@@H]2CC1 95602822 XZIOAKQLDBOYOM-JAXLGGSGSA-N 421.375 5.769 50 1 HKGF Cc1cc(C)c([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C 587329546 YLHTVUOEYWJMFE-UKILVPOCSA-N 424.899 5.950 50 1 HKGF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](CBr)(c2ccccc2SC)N1 962949656 QDCKMWRXTDIDBQ-QKKBWIMNSA-N 415.400 5.453 50 1 HKGF O=C(O)C[C@@H]1CC[C@H]([C@@H]2CC[C@@H](CCCCCC[C@H]3C=CC=CC=CC3)O2)OO1 2356449170 DIHXQPVNIPQBLK-MFKCLSPESA-N 404.547 5.517 50 1 HKGF CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3[C@H](OO)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356603533 KJIGLXGIVLBXCF-PCDUZEELSA-N 418.662 6.857 50 1 HKGF CC(C)[Si](OCC/C=C/[C@@H]1CCC(=O)[C@H]1[C@@H](O)C1CCCCC1)(C(C)C)C(C)C 195480456 AIFDEPAJGQREQC-DRESAPIXSA-N 422.726 6.661 50 1 HKGF C[C@H](c1ccc(CBr)cc1)c1nc2ccc(Br)c(F)c2[nH]1 586972886 CLCCULAXEKACEB-SECBINFHSA-N 412.100 5.511 50 1 HKGF C[C@H](c1ccc(CBr)cc1)c1nc2cc3nc4ccccc4nc3cc2[nH]1 586974696 YONCMUPXADDUEM-CYBMUJFWSA-N 417.310 5.706 50 1 HKGF CC(C)C(=O)Nc1ccc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587499309 SDVGOZCAFQAPQM-XMMPIXPASA-N 411.929 5.259 50 1 HKGF CCc1ccc(CC)c([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587689726 VICLMLACCCBYAS-ASSNKEHSSA-N 424.785 5.730 50 1 HKGF O=C(NN=C1C[C@@H](c2ccccc2)N[C@@H](c2ccccc2)C1)c1ccc(Cl)cc1 1772592207 JHTUKDCFZIIUCG-ZRZAMGCNSA-N 403.913 5.292 50 1 HKGF ClCCN(CCCl)c1ccc(C=Nc2ccc3c(c2)oc2ccccc23)cc1 2356823268 GKNPPARPTMONLU-UHFFFAOYSA-N 411.332 6.621 50 1 HKGF CCCCCCCCCCCCCCN(NC(=O)COC)C(=O)OC(C)(C)C 96940457 HWMAKEHQLDBIHD-UHFFFAOYSA-N 400.604 5.602 50 1 HKGF O=C1C[C@@](CBr)(c2ccc3ccccc3c2)Oc2c1ccc1c2CCCC1 587501789 YDPBHLNVFHHKAB-XMMPIXPASA-N 421.334 5.974 50 1 HKGF COc1cc(/C=C\c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc(O)c1O 587785231 JNEZHOWPBPLOGT-DJWKRKHSSA-N 408.348 5.811 50 1 HKGF Cc1ccccc1-c1ccc(Cc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 587959053 LNCRXRVVHAUOAA-UHFFFAOYSA-N 424.438 7.787 50 1 HKGF C[C@H](Sc1nc(N)cc(O)n1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 586962618 SXUDWGMCEAQRJS-LURJTMIESA-N 413.397 5.151 50 1 HKGF CCOC(=O)[C@H](Cl)c1nc2ccc(O)c3c2c(c1C(C)C)-c1ccccc1C3=O 586985886 LNDAKYWQSQMACY-HXUWFJFHSA-N 409.869 5.118 50 1 HKGF Cc1ccc2nc(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2n1 587055742 MKBOQEKXEJKFDU-MHWRWJLKSA-N 422.319 6.045 50 1 HKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCCCCl)cc2)N1 587682952 FEKHDTWGTRWIDK-BLVKFPJESA-N 412.730 5.220 50 1 HKGF C=CC(C)(C)c1[nH]c2cccc3c2c1[C@@H]1[C@H](C[C@H](Cl)[C@](C)(C=C)[C@H]1N=C)C3(C)C 2356581797 KVKHZNMECJZECY-KLVROHHUSA-N 409.017 6.895 50 1 HKGF C[C@H](CCCCCCCCCCCCCCI)CC(=O)O 27903158 HOYZTZPDXOPDDK-QGZVFWFLSA-N 410.380 6.604 50 1 HKGF C=C[C@@](C)(O)CC[C@@H]1C(=C)CC[C@H](Br)[C@@]1(C)CC[C@@H](OC)C(C)(C)O 473123424 LOLLYCOUYMZRJI-QIYLELGZSA-N 417.428 5.006 50 1 HKGF FC(F)(F)c1ccn(CCc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)n1 587117987 IAOACSJJELLPOL-UHFFFAOYSA-N 406.302 5.678 50 1 HKGF CC(=CCC[C@H](C)CC(=O)[C@@H](O)[C@@H](C)Cl)CCCc1coc(Cc2ccoc2)c1 2356738731 WHSPRQDLSQTWAX-GLDPYIMESA-N 420.977 6.096 50 1 HKGF C[C@@H](c1ccc(CBr)cc1)c1nc2c3cccnc3c3ncccc3c2[nH]1 586973791 OPCLKUPOMSGPNL-ZDUSSCGKSA-N 417.310 5.706 50 1 HKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(Cl)sc1Cl)CC2=O 587489280 CANZFMYPACEHSV-KRWDZBQOSA-N 405.730 5.813 50 1 HKGF O=C1C[C@](CBr)(c2cc(F)ccc2Cl)Oc2c1ccc1c2CCCC1 587504965 PCTOJJCKTZFMFX-FQEVSTJZSA-N 423.709 5.614 50 1 HKGF COc1cc(C2(c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)CC2)ccc1C 587926679 LDKJPTZUIHLNFD-UHFFFAOYSA-N 404.404 6.617 50 1 HKGF COc1ccc(OC)c2c1C[C@H](C)N[C@H]2c1cc(C)cc(S(F)(F)(F)(F)F)c1 963577781 DZBOKEAICSVBJN-BUXKBTBVSA-N 423.447 6.293 50 1 HKGF C[C@@H](CCCN=C=S)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C 1911573889 FVSRJGKKUCBWEV-HGXPKLPBSA-N 419.675 5.496 50 1 HKGF CC(=CCC[C@H](C)CC(=O)[C@H](O)[C@H](C)Cl)CCCc1coc(Cc2ccoc2)c1 2356738730 WHSPRQDLSQTWAX-AXHZCLLHSA-N 420.977 6.096 50 1 HKGF C=C[C@](Br)(CBr)CC[C@@H](Br)C(C)(C)Cl 1637278 BIJRAENMNMOHHB-PSASIEDQSA-N 411.403 5.262 50 1 HKGF CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(CC#CCCCBr)cc1OC2(C)C 13557641 QHFROVGTWNPDOW-QZTJIDSGSA-N 403.360 5.724 50 1 HKGF O=C(CSc1nnc(-c2cccc(N=C=S)c2)o1)c1ccc2ccccc2c1 73167379 JGYILYVFCKGPRG-UHFFFAOYSA-N 403.488 5.599 50 1 HKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2c[nH]c3ccccc23)([C@@H](C)Cl)N1 587689826 WUNFZMXQENWJKC-FKANQGBASA-N 421.741 5.475 50 1 HKGF FS(F)(F)(F)(F)c1ccc2nc(Cc3ccccc3-c3ccccc3)[nH]c2c1 587958684 GUNGIDLGRNJAEF-UHFFFAOYSA-N 410.411 7.478 50 1 HKGF COC(=O)[C@@H](C)[C@H]1CC[C@](C)(CC/C=C(\C)CC[C@]2(C)[C@@H](C)CCC[C@]2(C)O)OO1 653730248 PYRDXCUKHATXIK-LPWGEPJGSA-N 424.622 5.749 50 1 HKGF CC(=O)c1c(O)c(CC=C(C)C)c(O)c2c1O[C@](C)(CCC=C(C)C)[C@H](OO)C2 59129588 SPYURBRWMRJZNS-WZONZLPQSA-N 404.503 5.107 50 1 HKGF biogenic CCCc1c(O)ccc2c1O[C@](CBr)(c1ccccc1SC)CC2=O 587494343 WDOWTZSYCADWRN-HXUWFJFHSA-N 421.356 5.322 50 1 HKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(C2CCCCC2)N1 587674607 YBHBLLUOSDUKLZ-GTNSWQLSSA-N 419.176 5.293 50 1 HKGF COc1ccc2c(c1)[C@](CCCCCl)(c1ccnc(Cl)c1)N(C(C)C)CC2 962093814 PZYTYFULAFGEHJ-QFIPXVFZSA-N 407.385 5.663 50 1 HKGF COc1cc2c(cc1OC)[C@@](CCCCCCl)(c1cccc(C)c1)N(C)[C@H](C)C2 962619662 FFWRWEQCHQSBFO-KBMIEXCESA-N 416.005 5.931 50 1 HKGF CC[C@H](c1ccc(O)cc1)[C@@H](CC)c1ccc(OCC(=O)CBr)cc1 27517920 PHXCWRQBHXXVOC-RTWAWAEBSA-N 405.332 5.422 50 1 HKGF C=C1C(CCl)(CCl)[C@]2(Cl)[C@H](Cl)[C@@H](Cl)[C@@]1(Cl)C2(Cl)Cl 169296426 OEJNXTAZZBRGDN-SQEXRHODSA-N 411.798 5.378 50 1 HKGF C[C@H](Cl)[C@]1(c2ccc(F)cc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 587723702 BWDHVUMZTIWAKF-AUSHCKSDSA-N 418.684 5.272 50 1 HKGF C=C(C(=O)O)[C@@H]1CC[C@@H](CCC=C(C)CCC=C(C)CC=CC(C)(C)OO)CO1 2356789681 DOXZCSYWEXVJJR-YADHBBJMSA-N 406.563 6.090 50 1 HKGF CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](OO)CC[C@]4(C)[C@H]3CC[C@@]21C 255225724 LESGHGUKCRHTCP-APGDWVJJSA-N 412.658 7.828 50 1 HKGF N[C@@H](Cc1c[nH]c2ccc(F)cc12)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587174232 HJJUAUKRNXNKMD-ZDUSSCGKSA-N 420.382 6.083 50 1 HKGF CC(C)c1ccc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587497591 CXFLEUJQYHRUJE-QHCPKHFHSA-N 413.355 5.944 50 1 HKGF Fc1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2CCl)c(F)c1 587625745 MUPOUHCBKDJYJK-UHFFFAOYSA-N 413.695 6.890 50 1 HKGF COC(=O)[C@H](C)[C@@H]1CC[C@](C)([C@@H]2C[C@]3(C)[C@H](C)C[C@@H]4C=C(C)CC[C@@H]4[C@]3(C)O2)OO1 2356565544 ZUKFYDKHJLXOAT-KENRVMAUSA-N 420.590 5.231 50 1 HKGF Fc1ccc([C@H](Cl)Cn2ncc3c(NCc4ccccc4Cl)ncnc32)cc1 29135913 LXSFCABPGHRETH-GOSISDBHSA-N 416.287 5.211 50 1 HKGF COc1ccc(Cl)cc1C#Cc1ccc(F)c(C(=O)CBr)c1Cl 587914887 IHVBJEWLGVKTAZ-UHFFFAOYSA-N 416.073 5.119 50 1 HKGF Cc1cc([C@@]2(CCl)c3c(F)cccc3C[C@@H]3CCCN32)c(C)n1-c1ccccn1 963106572 VXFOWODGQOMJMY-CYFREDJKSA-N 409.936 5.131 50 1 HKGF CC(C)=CCCC(C)=CCCC(C)=CCCC(C=O)=CC[C@H](O)[C@H]1CC(=O)OC1=O 2356418749 VMRVXHUEJXPHNA-PKTZIBPZSA-N 416.558 5.152 50 1 HKGF CC(C)[C@@H]1CC[C@]2(C)[C@@H]1CC[C@]1(C)[C@]3(C)CC[C@]4(C)C(C=O)=CCC[C@@H]4[C@H]3CC[C@]21C 2356687470 QUGNUGVPSFQDGD-WXQXMJQPSA-N 424.713 8.233 50 1 HKGF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@H](Br)[C@H]2CC[C@@]1(C)C2(C)C 587461506 XNQBKRMAYCEKDP-PZQWHJIPSA-N 407.348 5.268 50 1 HKGF COc1ccc([C@]2([C@@H](C)Br)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587497814 DITSUTQZHBSVRS-JLCFBVMHSA-N 415.327 5.218 50 1 HKGF O=C1C[C@](CBr)(c2c(F)cccc2F)Oc2c1ccc1c2CCCC1 587508312 UWDLNZFMTOETDZ-FQEVSTJZSA-N 407.254 5.099 50 1 HKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(F)c(Cl)c2)N1 587717049 KMMQNXSPGSTDFC-XLFHBGCDSA-N 421.112 5.397 50 1 HKGF C[C@H](CCCC/C=C/CC/C=C\c1ccccc1)C[C@]1(C)C[C@](C)(CC(=O)O)OO1 44431562 CRORVGKIBBBYNQ-WVNQWLAZSA-N 414.586 6.967 50 1 HKGF CC1=C(C#N)[C@@H](c2cccc(Cl)c2Cl)C2=C(O)C[C@@H](c3ccccc3)CC2=N1 103521221 SUJYBCZXBKDUPQ-YCRPNKLZSA-N 409.316 6.719 50 1 HKGF CC(C)(F)[C@@H](Br)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 587086517 BYPBCLAZERPBBC-VIFPVBQESA-N 418.026 5.528 50 1 HKGF O=C1c2ccc(O)cc2O[C@](c2ccccc2)(C(Cl)Cl)[C@@H]1c1ccc(F)cc1 587325803 ZHRJKDGQRJOQHC-KNQAVFIVSA-N 417.263 5.589 50 1 HKGF CCCc1c(O)ccc2c1O[C@@H]([C@@]13C[C@]1(C)[C@H]1CC(C)(C)C[C@H]1C=C3C=O)CC2=O 587482578 OVBSEQVSALBHPP-RTRWQZQXSA-N 408.538 5.266 50 1 HKGF C[C@H](Cl)[C@@]1(c2ccc(F)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587559430 XKHPHZGDVDIJJX-BZGUAGMMSA-N 416.807 5.155 50 1 HKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCCCl)c1cccs1 587615931 YDJQVWWEKNIURK-NQIIRXRSSA-N 400.883 5.330 50 1 HKGF CSc1ccc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587846291 QAJQQGDGOWKFQU-ZMZPIMSZSA-N 414.771 5.327 50 1 HKGF CC(C)C=C[C@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]23C=C[C@@]2(C[C@@H](O)CC[C@]12C)OO3 2356535832 KHLDJVKLPVTEEX-ZKCIHQBLSA-N 400.603 5.838 50 1 HKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(CBr)cc2)N1 587673895 RGAGKSCJYMSKSR-DYZYQPBXSA-N 413.128 5.107 50 1 HKGF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(CBr)c1cccc(F)c1[N+](=O)[O-] 963244955 YMIHOZIUHWFOJU-XOBRGWDASA-N 421.310 5.029 50 1 HKGF Cc1ccc2nc(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2c1 33667460 HDBKNAMBEKGJPV-GZTJUZNOSA-N 421.331 6.650 50 1 HKGF CN(CC#N)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](OC(=O)CCl)CC[C@]4(C)[C@H]3CC[C@]12C 49573682 JOKRPORJXQCDAP-ABYUGSHRSA-N 421.025 5.004 50 1 HKGF biogenic CC(C)(C)c1ccc([C@@]2(CCCCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587499506 UEKGFLREPBMISN-AREMUKBSSA-N 410.985 6.743 50 1 HKGF CC(C)(C)c1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587543861 LXQVJJUQNPSWKU-SQJMNOBHSA-N 422.908 5.786 50 1 HKGF C[C@H](Cl)[C@]1(c2ccc(F)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587567625 IGGBHBCYVBSAOC-SAWWVNKFSA-N 416.807 5.155 50 1 HKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCCCl)c1ccc(F)cc1 587571721 PBJMCBLQJVRLDK-REWPJTCUSA-N 412.844 5.407 50 1 HKGF CCCc1ccc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587685234 OQMKNCKITAYNBW-RBZFPXEDSA-N 410.758 5.557 50 1 HKGF CCCc1cc(S(F)(F)(F)(F)F)cc2c1O[C@@H](C(F)(F)F)C(C(=O)O)=C2 1772594041 DHZKWLKOBNXRLI-GFCCVEGCSA-N 412.298 6.088 50 1 HKGF O=C(/C=C/c1ccc(/C=N/NC(=O)c2cccc(Cl)c2)cc1)c1ccc(Cl)cc1 1772636423 NDIFFLZYOKCINB-CHLXFVKFSA-N 423.299 5.653 50 1 HKGF COC(=O)[C@H](C)[C@@H]1CC[C@](C)(CCC=C(C)CCC2=C(C)C(=O)CCC2(C)C)OO1 2356729371 CAFIDQGCHNMPFD-WPWBMXPQSA-N 420.590 5.877 50 1 HKGF CN(Cc1ccccc1)C(=O)c1nc2ccccc2c(-c2ccccc2)c1CCl 3817159 CPSOCCUIKKZXMX-UHFFFAOYSA-N 400.909 5.913 50 1 HKGF Cc1ccc(C2OOC(c3ccc(CNC4C5CC6CC(C5)CC4C6)cc3)OO2)cc1 72174389 DXHRRIWROFCVJR-UHFFFAOYSA-N 421.537 5.517 50 1 HKGF CCCOc1cc2nc([C@@H](Br)C(C)(C)F)[nH]c2cc1Br 587086961 KEDNUMOHOBWOLR-GFCCVEGCSA-N 408.109 5.298 50 1 HKGF Cc1cc(C)c(C)c([C@@]2(CCl)NC3(CC3)Cc3ccc(Br)cc32)c1C 961746262 CQCMTRHVLOGOFD-QFIPXVFZSA-N 418.806 5.843 50 1 HKGF C[C@@]1(c2ccc(O)c(CCl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587328107 SXDXQXSPAODSRP-GMAHTHKFSA-N 412.844 5.250 50 1 HKGF COc1cccc(-c2cc(-c3cccc(/C=C/C=O)c3F)nc3c2oc2ccccc23)c1 587358732 BBSJLQCXNWLNHG-RMKNXTFCSA-N 423.443 6.675 50 1 HKGF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OCCCCl)c(OC)c1)CC2=O 587461924 VEWWZEZBDUTNCH-HSZRJFAPSA-N 418.917 5.242 50 1 HKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCCCl)(c2ccc(O)cc2)N1 587686763 XHFJMHJAWASUOL-BUXKBTBVSA-N 412.730 5.091 50 1 HKGF CCN(CC)CCOc1ccc(/C(=C(/C#N)c2ccccc2)c2ccc(O)cc2)cc1 13650277 QWYOSTLQEBZKOH-RQZHXJHFSA-N 412.533 5.595 50 1 HKGF COC(=O)[C@@H](C)[C@H]1CC[C@](C)(CCC[C@@H](C)CCC2=C(C)CCCC2(C)C)OO1 43543979 GJIDDUBOWGAKMM-DCKIUFBFSA-N 408.623 6.778 50 1 HKGF C=C(C)[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)OO 44359763 UEYFSWJEKNBMRD-RNCHBCSGSA-N 416.646 6.777 50 1 HKGF Cc1cccc(NC(=O)Cc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1C 587238940 IXGKZSIHLTUQKT-UHFFFAOYSA-N 405.392 6.018 50 1 HKGF N#CC1=C(N)Oc2c(ccc3ccccc23)[C@@H]1c1cccc(C#CC2(O)CCCCC2)c1 73164365 NWOVRWFMJRQQFW-VWLOTQADSA-N 420.512 5.105 50 1 HKGF CC1(C)[C@H](Br)C[C@@H]2O[C@]2(C)[C@]12CC[C@](C)(Cl)[C@@H](Br)C2 238780553 XHGHPMZGEBNXLW-DWJLGYRFSA-N 414.609 5.269 50 1 HKGF COc1ccc([C@]2([C@H](C)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587687786 HYYWDVLGWZMHTK-UFYHVXEKSA-N 412.730 5.002 50 1 HKGF O=C1[C@@H](Cl)[C@@H](c2cc(/N=N/c3cccc([N+](=O)[O-])c3)ccc2O)N1c1ccccc1 28702205 VBJUIXCAASWCLF-DHDMKROQSA-N 422.828 5.411 50 1 HKGF Cc1cc(/C(Cl)=C/C#N)cc(C)c1Nc1ccnc(Nc2ccc(C#N)cc2)n1 40527518 RBECMHFAXGWYEV-GXHLCREISA-N 400.873 5.556 50 1 HKGF Cc1ccc(C)c([C@]2([C@@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587325035 WINUDFGYBBGPLJ-OYMMJLNRSA-N 424.899 6.030 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccc(CBr)cc1)O2 587376175 IAGWEGDCSOTFGG-QHCPKHFHSA-N 422.322 5.381 50 1 HKGF Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccccc1 587499554 VJJPWOVRYMNTIV-AREMUKBSSA-N 419.952 6.072 50 1 HKGF CCOc1ccc([C@]2([C@H](C)Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587541342 BDHYCQHKCLHOJN-WIRXAFICSA-N 424.880 5.275 50 1 HKGF CCN(CC)c1ccc([C@H]2C(C#N)=C(C)N=C3C[C@H](c4ccccc4)CC(O)=C32)cc1 103866728 YTFKONLQVUVJTJ-LVXARBLLSA-N 411.549 6.258 50 1 HKGF CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)C(=O)Oc1ccc([N+](=O)[O-])cc1 137276333 VUFCJTVPJWNVGI-LGPLSSKUSA-N 421.537 6.334 50 1 HKGF CCc1ccc(CC)c([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587689728 VICLMLACCCBYAS-YEJXKQKISA-N 424.785 5.730 50 1 HKGF C[C@H](Cl)[C@@]1(c2ccc(F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587731894 LYZMWCMBAUPGLG-DDBGAENHSA-N 400.694 5.132 50 1 HKGF O=C(Nc1nccs1)c1c(C(Cl)Cl)nc2c(C(F)(F)F)cccc2c1O 29233702 GLLLSFSHYFLEMU-UHFFFAOYSA-N 422.215 5.144 50 1 HKGF C/C=C/C=C/CCCCCCCCCCC[C@]1(OC)C=C[C@H](CC(=O)OC)OO1 42877815 RYYYFHGENGEKBQ-UWFINEESSA-N 408.579 6.202 50 1 HKGF O=C(Cc1ccc(-c2ccccc2)cc1)NNC(=S)NCCCCC1CCCCC1 96285251 ASVLCJFACSELPH-UHFFFAOYSA-N 423.626 5.142 50 1 HKGF Cc1cnc2[nH]c(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)nc2c1 587056332 PDWHECONVQQGEX-SXGWCWSVSA-N 422.319 6.045 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cc(C)n(Cc3ccco3)c1C)([C@H](C)Cl)O2 587373791 SVGGJTJOYGCYKR-HJPURHCSSA-N 412.917 5.125 50 1 HKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc(C3CCCCC3)cc1)CC2=O 587461972 VOOWIBJHLUZUQH-VWLOTQADSA-N 412.957 6.492 50 1 HKGF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccsc1CC[C@@H]2Br 587536513 VSCDLAUDFYTOQT-ICSRJNTNSA-N 403.341 5.197 50 1 HKGF N#CSC[C@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587340273 XOOIXVBJJZUUTA-FYYLOGMGSA-N 423.440 5.139 50 1 HKGF COc1ccc(Cl)cc1C#Cc1ccc(Cl)c(F)c1C(=O)CBr 587916654 QMXYISYVUBLZBY-UHFFFAOYSA-N 416.073 5.119 50 1 HKGF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(Cn1cccc1C=C(C#N)C#N)c1ccccc1 963243317 RRCFNIPXVGYBQV-RBISFHTESA-N 420.560 5.519 50 1 HKGF CC(C)(CCCCCCCCCCC(C)(C)[C@@H](Cl)C(=O)O)[C@H](Cl)C(=O)O 26171376 KFEFAFFOVIMNLW-IYBDPMFKSA-N 411.410 6.324 50 1 HKGF N#C/C(C(=O)Nc1ccc(C(F)(F)F)cc1)=C(/O)c1ccc(OC(F)(F)F)cc1 59034381 IEEHFFKXIHFLLG-PFONDFGASA-N 416.277 5.035 50 1 HKGF C/C(=C\CC[C@]1(C)CC[C@H]([C@@H](C)C(=O)O)OO1)CC[C@@]12O[C@@]1(C)CCCC2(C)C 102157994 ZJDQUUJWNSJRQH-BOEVAWRDSA-N 408.579 5.821 50 1 HKGF CCCc1c(O)ccc2c1O[C@](CBr)(CCc1ccccc1)CC2=O 587455797 GFKZHMZLUMUPKK-OAQYLSRUSA-N 403.316 5.076 50 1 HKGF O=C1C[C@](CCl)(c2ccc(-c3ccccc3)cc2)Oc2c1ccc1c2CCCC1 587498368 NLLADCKITPIZPL-SANMLTNESA-N 402.921 6.332 50 1 HKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(Cl)s2)N1 587848928 QABWJWBNEQOPHI-GLEZIHRCSA-N 409.151 5.320 50 1 HKGF CC=C(C)[C@@H]1[C@H](C=CC=C(C)C(=O)CC)[C@@H]2C[C@H](Cl)[C@](C)(O)C[C@@H]2[C@H]2O[C@]12C 2356546650 PHSSIDQQMMOHAI-IGSVIUJDSA-N 406.994 5.222 50 1 HKGF CC(/C=C\C=O)=C/C=C/C=C(C)/C=C/C=C(C)\C=C\[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C 14854749 QZOYIQGWDBXSHB-HOFLTLAOSA-N 408.582 5.958 50 1 HKGF endogenous,in-man CCCSc1nc(N(CC)CC)c2cnn(C[C@@H](Cl)c3ccccc3)c2n1 40379483 NNKDGXZSBXXCSJ-QGZVFWFLSA-N 403.983 5.155 50 1 HKGF C=C(CCC[C@]1(C)CC[C@@H]([C@@H](C)C(=O)OC)OO1)CC[C@]1(O)C(=C)CCCC1(C)C 85918683 XFDMAFNMQSQGGI-WIVXBSKCSA-N 422.606 5.669 50 1 HKGF C[C@H](c1ccc(CBr)cc1)c1nc2cc(C#N)cc(Br)c2[nH]1 586974770 ZJMNXUKMIUBPJO-SNVBAGLBSA-N 419.120 5.244 50 1 HKGF CCCc1c(O)ccc2c1O[C@@H](c1ccc(S(F)(F)(F)(F)F)cc1)CC2=O 587471690 MGMWJHWXQBPWEV-QGZVFWFLSA-N 408.388 6.709 50 1 HKGF Cc1[nH]c2ccccc2c1[C@@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 587684767 MDFXQHCEFGSSTG-YBTHPKLGSA-N 421.741 5.395 50 1 HKGF CCOc1ccc(OCC)c(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1 587778731 RHNUXVKQUFRWPU-UHFFFAOYSA-N 408.392 6.685 50 1 HKGF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]23C=C[C@@]2(C[C@@H](O)CC[C@]12C)OO3 2356584461 FOISYVRNZSWLHL-ANASRUAZSA-N 416.646 6.452 50 1 HKGF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@H]1c1ccc(CCl)cc1 961783258 MDAUZKVTJRSNTI-JOCHJYFZSA-N 412.961 5.666 50 1 HKGF COC(=O)[C@H](C)[C@H]1CC[C@@](C)(CCC=C(C)CCC2=C(C)C(=O)CCC2(C)C)OO1 2356729368 CAFIDQGCHNMPFD-OPJGWUQDSA-N 420.590 5.877 50 1 HKGF CCCCCC[C@@H](C(=O)NN)c1c(C)n(Cc2ccccc2)c2ccc(OC)cc12 13446007 MYZQXDPCWLOWLH-OAQYLSRUSA-N 407.558 5.051 50 1 HKGF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)O[C@@](C)(CC/C=C\C#N)[C@H]3CC[C@@]21C 13781998 PIKMPFHAGPWQAM-NIPDPKGRSA-N 413.646 7.073 50 1 HKGF CC1=CC[C@H]2[C@H](C1)c1c(O)cc(CC#CCCCBr)cc1OC2(C)C 27842178 QHFROVGTWNPDOW-ROUUACIJSA-N 403.360 5.724 50 1 HKGF [C-]#[N+][C@]12C=CC(C)(C)c3[nH]c4cccc5c4c3[C@]1(O)[C@H](C[C@@H](Cl)[C@]2(C)C=C)C5(C)C 96903136 RSUTYZFOFIAHFY-OWINPNOJSA-N 420.984 5.972 50 1 HKGF CCCCCCc1ccc([C@]2([C@@H](C)Cl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587418676 UXPJSXSFTXBCGZ-YCEDGAFSSA-N 412.957 6.088 50 1 HKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc(Oc3ccccc3)cc1)CC2=O 587459166 GIFYPMATPLKGHI-VWLOTQADSA-N 422.908 6.237 50 1 HKGF O=C1CCCN1c1ccc([C@@]2(CCl)NCCc3cc(-c4ccccc4)ccc32)cc1 962667372 LOEPBNJGGUARLD-AREMUKBSSA-N 416.952 5.109 50 1 HKGF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(CCCCl)c1cccc(Br)c1 963238168 HZCVNCRQDNJJHU-HTAPYJJXSA-N 420.822 6.368 50 1 HKGF COC(=O)[C@H](C)[C@@H]1CC[C@](C)(CCC=C(C)CC[C@]2(O)[C@@H](C)CCCC2(C)C)OO1 2356794580 LGYQILBHOGDNJU-KOSDUOMESA-N 424.622 5.749 50 1 HKGF [C-]#[N+]/C(C)=C\C=C(C)\C=C(/C)[C@H](C[C@H](C[C@H](C[C@H](CC=C)OC)OC)OC)OC 85598419 DXDWWQYVFWGLPI-IRWIXJHFSA-N 405.579 5.508 50 1 HKGF COC(C)(C)[C@H](Br)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 586970179 BCRIIRJWNHBBCJ-SNVBAGLBSA-N 419.163 5.462 50 1 HKGF CC(C)[C@@H](Br)C(=O)Nc1cccc(-c2cc3c4c(cccc4n2)CC3)c1 587208120 LMXKUKSKUZAZMU-OAQYLSRUSA-N 409.327 5.358 50 1 HKGF CCCc1ccc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587501835 ZBTARNPEPUWTTL-QHCPKHFHSA-N 413.355 5.774 50 1 HKGF Cc1cc(C)c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1CCl 587682931 FBWQHLPKNTUASX-YEJXKQKISA-N 424.785 6.050 50 1 HKGF Cc1cc(C)c([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1C 587688729 NMVOZQMXYMGUCK-YEJXKQKISA-N 424.785 5.838 50 1 HKGF Cc1sc2c(c1C)CCN[C@]2(c1c[nH]c2ccccc12)[C@@H](Cl)c1ccccc1 963029312 RLAIPGSWZOWGFM-LADGPHEKSA-N 406.982 6.216 50 1 HKGF CCCCCCCCCCCCCCCCNC(=O)NNC(=O)c1ccncc1 1857751107 ZWWGOGMAOUCVAS-UHFFFAOYSA-N 404.599 5.507 50 1 HKGF Cc1oc(-c2ccsc2)nc1Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587027043 MXSSWMOAIPIJKP-UHFFFAOYSA-N 421.416 6.836 50 1 HKGF O=C1c2ccc(O)cc2O[C@](CCCl)(c2ccc(F)cc2)[C@H]1c1ccc(F)cc1 587329028 BSRWQWSWXZXGHP-JTHBVZDNSA-N 414.835 5.554 50 1 HKGF CCOc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1CCl 587544746 NROKLECPNWUVSS-XUZZJYLKSA-N 424.880 5.407 50 1 HKGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)s1 587613188 MQCKXRNMDKFPLV-GHTZIAJQSA-N 400.883 5.166 50 1 HKGF Cc1cc(-c2csc(/C(C#N)=C\c3cccs3)n2)c(C)n1-c1ccccc1F 587922045 HYEXFZVZLWCZMC-WJDWOHSUSA-N 405.523 6.482 50 1 HKGF C/C(=N\NC(=O)Nc1ccccc1Oc1ccccc1)c1cccc(Br)c1 98084318 DQLWDTDIOHKFAH-BUVRLJJBSA-N 424.298 5.787 50 1 HKGF O=C1c2ccc(O)cc2O[C@](CCl)(c2cccc(Cl)c2)[C@H]1c1ccc(F)cc1 587328465 URDWZNZTVBBKAO-RBBKRZOGSA-N 417.263 5.678 50 1 HKGF CCOc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1CCl 587544747 NROKLECPNWUVSS-ZJSXRUAMSA-N 424.880 5.407 50 1 HKGF C[C@@]1(c2cccc3nc(CCl)oc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587545854 PUBOAIAPZWZXFA-XXBNENTESA-N 421.836 5.149 50 1 HKGF CC[C@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2[C@@]34C=C[C@@]5(C[C@H](O)CC[C@]5(C)C3=CC[C@@]12C)OO4 2356391422 QRMRXDOWNSSATH-FQIWWIFISA-N 412.614 6.148 50 1 HKGF COC(=O)[C@H](C)[C@@H]1CC[C@](C)([C@@H]2C[C@H]3C(C)(C)[C@H]4CCC(C)=C[C@@H]4C[C@]3(C)O2)OO1 2356519801 PNOATZDSQDNWLZ-ILKQSMPYSA-N 420.590 5.231 50 1 HKGF CCC/C=C(\CCC)[C@@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1 42889686 CCPGBBCLTGSJJF-IDGUORLLSA-N 417.533 6.773 50 1 HKGF C[C@]1(CCCCCCCC/C=C/C=C/c2ccccc2)C[C@@]2(C)OC(=O)C[C@H]2OO1 96086019 KEKDEOVVWKTZKA-XRXSLGMHSA-N 412.570 6.562 50 1 HKGF in-vitro O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCCCl)c1ccc(F)cc1 587571720 PBJMCBLQJVRLDK-OFNKIYASSA-N 412.844 5.407 50 1 HKGF CC[C@H](Br)[C@@]1(c2ccc(Cl)cc2)CC(=O)c2cc(C)cc(N)c2O1 587373636 MPCOKXGZVQDOJG-HKUYNNGSSA-N 408.723 5.265 50 1 HKGF O=C1C[C@@](CCl)(c2c[nH]c3nccc(Cl)c23)Oc2c1ccc1c2CCCC1 587495929 AWPGPVGNWRUQDM-OAQYLSRUSA-N 401.293 5.195 50 1 HKGF O=C1C[C@](CBr)(c2cccc(Cl)c2)Oc2c1ccc1c2CCCC1 587499653 NXADHONGIQPLHY-FQEVSTJZSA-N 405.719 5.474 50 1 HKGF CC(C)(C)c1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587543858 LXQVJJUQNPSWKU-BWKNWUBXSA-N 422.908 5.786 50 1 HKGF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587928127 WRXJWKVWJBCRNR-ZDUSSCGKSA-N 422.419 6.779 50 1 HKGF CC(=CCc1ccccc1)C=C(C)C[C@H](C)C[C@]1(C)C[C@@H](C)[C@H](CC(=O)O)OO1 2356690193 OORWRLWZGVHRGG-PLRSXRBSSA-N 400.559 6.128 50 1 HKGF C[C@@H]1CN(CCCn2c3ccccc3c3ccccc32)C[C@@H](C)N1CCCN=C=S 27436423 RXCZIMJGLPSJGI-NHCUHLMSSA-N 420.626 5.072 50 1 HKGF Fc1ccc(CNc2ncnc3c2cnn3C[C@@H](Cl)c2ccc(Cl)cc2)cc1 29135690 QNYNFUREPOMYSY-GOSISDBHSA-N 416.287 5.211 50 1 HKGF O=P(c1ccccc1)(c1ccccc1)[C@@H]1CC=C(c2ccccc2)C2(CCCC2)C1 73417650 JAOHHUSNVAIBDV-AREMUKBSSA-N 412.513 6.807 50 1 HKGF N#C/C(C(=O)Nc1cccc(C(F)(F)F)c1)=C(/O)c1ccc(C(F)(F)F)cc1 101507890 HWWZORDSKAELGE-PFONDFGASA-N 400.278 5.156 50 1 HKGF CC(C)c1ccc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587687336 ZYSGNGUULJJKCM-ZUOKHONESA-N 410.758 5.728 50 1 HKGF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC(C=O)=C2n1cnc2ccccc21 1857767569 BOVXPCGFUIXNNU-WNPREPMYSA-N 416.565 5.380 50 1 HKGF Fc1ccc(C2(c3ccc(F)cc3)OOC3(CCC(c4ccccc4)CC3)O2)cc1 43470305 IPYURVVPGJTEQZ-UHFFFAOYSA-N 408.444 6.198 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)n([C@H](C)c3ccccc3)c1C)O2 587373492 RBOPOPMGZCJAHX-NSYGIPOTSA-N 422.956 5.704 50 1 HKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2c[nH]c3ccccc23)N1 587682414 CCHLFROILWJEFB-WLRWDXFRSA-N 407.714 5.086 50 1 HKGF C=CCC/C=C\C=C/CCCCCC[C@@H]1CC[C@@H]([C@@H]2CC[C@@H](CC(=O)OC)OO2)O1 136111020 SNBDLVZWQJBVDH-VQSWECAASA-N 420.590 5.996 50 1 HKGF CC(=C\Cc1ccccc1)/C=C(\C)C[C@@H](C)C[C@]1(C)C[C@H](C)[C@@H](CC(=O)O)OO1 202466624 OORWRLWZGVHRGG-SHYROGMISA-N 400.559 6.128 50 1 HKGF Cc1cncc2nc(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c12 587055240 LGGICNVDMGKKHA-LZYBPNLTSA-N 422.319 6.045 50 1 HKGF O=C1C[C@@](CCl)(c2cnc(N3CCCCC3)s2)Oc2c1ccc1c2CCCC1 587535950 QCBZSNDZUZAGGG-JOCHJYFZSA-N 416.974 5.112 50 1 HKGF CCCCCCCCc1ccc(-c2[nH]c3ccc(F)c(Cl)c3c2CCl)cc1 587628184 JKASDSSHQVCBAC-UHFFFAOYSA-N 406.372 8.269 50 1 HKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(Cc2ccccc2Cl)N1 587689799 WIXXDEDGHIEQSN-BBATYDOGSA-N 417.149 5.453 50 1 HKGF CCCc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587324816 ADKCIHVFUJNZDH-ZCYQVOJMSA-N 424.899 5.977 50 1 HKGF FS(F)(F)(F)(F)c1ccc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c2c1 587949819 CWQKVUOQVUIOHK-UHFFFAOYSA-N 408.436 6.706 50 1 HKGF CCCCCCCCCCCCCCCSC[C@H](NC(C)=O)C(=O)CCl 38154222 KWWHBIWCNNHBKS-FQEVSTJZSA-N 406.076 6.123 50 1 HKGF CC(C)c1ccc(CN(Cc2ccccc2)C2=NC[C@@H](CBr)S2)cc1 82052549 UFBGCJXJQFVUKE-HXUWFJFHSA-N 417.416 5.679 50 1 HKGF CC[C@@H](C)/C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@]34C=C[C@]5(C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@]12C)OO4 255262655 RMCNEIUNJZPGIG-TVKJNXPUSA-N 414.630 6.228 50 1 HKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2cccc3cc[nH]c23)N1 587683774 IASKBRCTQMPUKD-WLRWDXFRSA-N 407.714 5.086 50 1 HKGF CC1(C)[C@@H](Br)CC[C@@]1(C)[C@@]1(O)CC[C@](C)(Br)[C@H](Cl)C1 2356453232 RITYTGBWLLRFSG-WPTOEGHWSA-N 416.625 5.252 50 1 HKGF c1ccc(C2(c3ccccc3)CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)cc1 43989767 MNWPYUGTLLDVMT-UHFFFAOYSA-N 416.561 6.374 50 1 HKGF C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587068543 CKQQQGOKIGVHEV-JTQLQIEISA-N 424.822 7.250 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)n(Cc3cccs3)c1C)O2 587414317 UGJBIRBJAHNMFX-JOCHJYFZSA-N 414.958 5.205 50 1 HKGF COc1cc2c3c(c1)O[C@](c1ccc(C)c(Cl)c1)([C@H](C)Br)[C@@H](C2)C3=O 587415930 ZHIQTGDWZCQXRH-ORBZYBPHSA-N 421.718 5.083 50 1 HKGF CCCc1c(O)ccc2c1O[C@](CSC#N)(c1ccc3ccccc3c1)CC2=O 587494748 YMIGRNATFSPXRZ-XMMPIXPASA-N 403.503 5.573 50 1 HKGF F[C@H](Br)C(F)(F)Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 28218398 ZXVHYSBRRKVZLY-HNNXBMFYSA-N 413.262 6.119 50 1 HKGF CC(=O)N(/N=N/c1c(Cl)cccc1Cl)c1cc(C(F)(F)F)ccc1C#N 100983777 PEJJLDOATOKTGK-WCWDXBQESA-N 401.175 5.936 50 1 HKGF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OC(=O)C5CCC5)CC[C@@]43C)[C@@H]1CC(C=O)=C2Cl 137893273 YEUYLGDHYSWSDR-QFNYRDOESA-N 416.989 5.963 50 1 HKGF Cc1cc2c(cc1F)[C@@](CCCCCCl)(c1cccc(C(F)(F)F)c1)NCC2 962297143 ILQGNAGTZAVFBJ-OAQYLSRUSA-N 413.886 6.341 50 1 HKGF CC1=C(CC[C@](C)(O)C=CC[C@]2(C)CC[C@@H]([C@@H](C)C(=O)O)OO2)C(C)(C)CCC1 2356501645 IOPIOUHRQRYDMU-BHLLPTRUSA-N 408.579 5.581 50 1 HKGF COc1ccc(/C=N/NC(=O)c2cc3c([nH]c4ccccc43)c(-c3ccccc3)n2)cc1 45258193 OSMOVWQQCIACGV-JVWAILMASA-N 420.472 5.156 50 1 HKGF Fc1cc(Br)cnc1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587154914 GHYMLTOWZCXTGM-UHFFFAOYSA-N 418.160 6.184 50 1 HKGF COC(=O)[C@H](C)[C@@H]1CC[C@](C)(CC[C@@H]2[C@H](C)CC[C@]3(O)C(C)(C)CCC[C@]23C)OO1 2356616311 WCYWWYZSPHIFJY-LTJWCOQCSA-N 424.622 5.439 50 1 HKGF C=C(c1ccc(Oc2ccc(-c3ccccc3)cc2)cc1)[C@@H]1COC2(CCCC2)OO1 64274608 YLYGOGPAJSJBII-SANMLTNESA-N 414.501 6.776 50 1 HKGF CCCCCCc1ccc([C@]2(CCl)CC(=O)c3ccc(O)c(CCC)c3O2)cc1 587458700 FDLILJOIXKQREE-RUZDIDTESA-N 414.973 6.567 50 1 HKGF C[C@@]1([C@@H](Br)Cc2ccccc2F)NCCc2cc(-c3ccccc3)ccc21 962671101 WHYMAZIRUNVKDT-BJKOFHAPSA-N 424.357 5.860 50 1 HKGF CC(C)=CC(C=O)=C(C)CCCC(C)=CCC[C@]1(C)CCc2cc(O)cc(C)c2O1 2356617246 VYQSISDGHVLRPS-HHHXNRCGSA-N 410.598 7.163 50 1 HKGF CCCCCCCCCCCCSC[C@H](NC(=O)OC(C)(C)C)C(=O)CCl 43411641 BJSVPWDHSQYSEH-SFHVURJKSA-N 422.075 6.342 50 1 HKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n([C@H](C)COC)c1C)CC2=O 587457889 CXTSMQKNZJPZHR-CMJOXMDJSA-N 419.949 5.070 50 1 HKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12[C@@H](Cl)CCCCC[C@H]2Cl 587547077 LEBZXDRJSVLXFB-BMQTXXJKSA-N 407.293 5.272 50 1 HKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2csc3ccccc23)N1 587858785 UJOWOZJSOJUNKE-NSPYISDASA-N 424.766 5.820 50 1 HKGF N#CC1=C(N)OC(c2ccccc2)=C[C@H]1c1c(-c2ccccc2)[nH]c2ccc(Cl)cc12 95603929 LGADNCHIMYPEHL-LJQANCHMSA-N 423.903 6.337 50 1 HKGF O=C(O)c1cccnc1SCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 586967814 GEVAHLMFLLQHBU-UHFFFAOYSA-N 411.377 5.606 50 1 HKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(F)c(Cl)c2)N1 587719527 PUWBMSAOXGUHGL-HUTHGQBESA-N 421.112 5.397 50 1 HKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)s1 587842479 FPGDRGRSNWZELP-VVVCHXIZSA-N 402.760 5.283 50 1 HKGF CC(=CCc1ccccc1)C=C(C)C[C@H](C)C[C@]1(C)C[C@H](C)[C@H](CC(=O)O)OO1 2356690190 OORWRLWZGVHRGG-FZZWXMEGSA-N 400.559 6.128 50 1 HKGF CC1=C[C@H](OC(=O)NCCCl)C[C@](C)(O)C=C[C@H](C(C)C)CCC(C)=CCC1 253666394 ASERFLMHCJBCPH-FUPPJEDESA-N 412.014 5.756 50 1 HKGF CN(C)/C=C(\C#N)[C@@]1(c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587497296 ACVMYHJBTYEIBX-UFIOJNINSA-N 406.913 5.049 50 1 HKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c(C)c1C 587688703 NIEVGGMJTXOJBH-GTJPDFRWSA-N 424.785 5.838 50 1 HKGF CCCCCC/C=C/C(=O)CCSSCCC(=O)CCCCCCCC 653869552 PAQUAWJFPLKSOW-FYWRMAATSA-N 400.694 7.563 50 1 HKGF Cc1ccc([C@]2(CCCCCCCl)c3c(F)cccc3C[C@@H]3CCCN32)cc1F 963103748 LLDUZGQODLJJHH-SQJMNOBHSA-N 417.971 6.727 50 1 HKGF CCCCCCCCCCCCCCCCCCO[C@]1(C)NC(=O)C(C#N)=C1C 43366210 CNUXXTGNBYYPRB-VWLOTQADSA-N 404.639 6.951 50 1 HKGF O=C1CC(CBr)=NN1c1c2ccccc2nc2c(Cl)cc(Cl)cc12 49067922 MLQNNGYBEBJUBB-UHFFFAOYSA-N 423.097 5.182 50 1 HKGF C/C(=C\CCc1coc(Cc2ccoc2)c1)CCC[C@@H](C)CC(=O)[C@H](O)[C@H](C)Cl 238730686 XJDJFTYVYSQNPJ-WVSORKNMSA-N 420.977 6.096 50 1 HKGF C[C@@]1(c2cc(CCl)cs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587377652 SKUNJAYKOIAQRP-FPOVZHCZSA-N 402.874 5.606 50 1 HKGF CCc1ccc(CC)c([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587543801 LIVPADMFRLDQNS-WIOPSUGQSA-N 422.908 5.613 50 1 HKGF COc1ccc([C@@]2(CCCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587682810 DOULAIYZNPNIRF-CWTRNNRKSA-N 412.730 5.004 50 1 HKGF COC(=O)[C@H](C)[C@@H]1CC[C@](C)(CC[C@@H]2C(C)=CC[C@@H]3C(C)(C)CCC[C@@]23C)OO1 2356406524 YPMAJMYXHUTKSJ-TVKFVVNRSA-N 406.607 6.244 50 1 HKGF CCc1c(C(=O)[C@@H](C)O)c2n3c1CCC[C@@H]3C[C@@H]2O[Si](C(C)C)(C(C)C)C(C)C 197281634 XHTFFIIFCOIHBF-OPYAIIAOSA-N 419.682 6.128 50 3 HKGF Cn1cc(-c2ncc(-c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)s2)cn1 587021761 OQOBGWDHZOKHTL-UHFFFAOYSA-N 407.393 5.744 50 1 HKGF CCCc1c(O)ccc2c1O[C@@](CBr)(C1CCC(F)(F)CC1)CC2=O 587465303 HBXYOKOLWAFYMY-SFHVURJKSA-N 417.290 5.269 50 1 HKGF C=C[C@]12CC[C@H]3[C@@](C)(CCC[C@@]3(C)C(=O)OCC)[C@@H]1CC[C@](C)(CN=C=S)C2 653737427 VREXTGWUJBYUHQ-CHCBBUOYSA-N 403.632 6.238 50 1 HKGF C=C1CC[C@H](Br)C(C)(C)[C@@H]1Cc1cc(O)c(Br)cc1OC 2356794884 LNRQNLLHADGLMJ-WBMJQRKESA-N 418.169 5.462 50 1 HKGF C=CCOc1ccc(C(=N/NC(=O)c2ccccc2)/N=N/c2ccccc2)cc1OC 5541968 XMVGBDYHBUVKNO-OLQLHNAZSA-N 414.465 5.136 50 1 HKGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2c[nH]c3ccccc23)[C@@H]1c1ccc(F)cc1 587327686 QUQHPWJDNNBKTR-VWNXMTODSA-N 421.855 5.506 50 1 HKGF Cc1cc(C)c([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C 587329540 YLHTVUOEYWJMFE-ILBGXUMGSA-N 424.899 5.950 50 1 HKGF CCCCc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587547252 ZMBXXDBPMXQESQ-WIOPSUGQSA-N 422.908 5.831 50 1 HKGF Cc1cc(C)c(C)c([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587687437 GTTUYQSULBAXGY-YEJXKQKISA-N 424.785 5.838 50 1 HKGF CC(C)c1ccc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587688326 LJVYLWAHMVLARP-RNODOKPDSA-N 410.758 5.728 50 1 HKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(F)cc(C(Cl)Cl)c1 587896633 VLQGXQLVLFBGNL-UHFFFAOYSA-N 419.110 5.319 50 1 HKGF CCOc1ccc2nc(SSc3nc4ccc(OCC)cc4s3)sc2c1 96907062 ZKUHRPSDGQENFO-UHFFFAOYSA-N 420.606 6.503 50 1 HKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](c3cccn3Cc3ccco3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 103190900 YDTDDFCWPJFDDG-RCNXKZRESA-N 413.514 5.052 50 1 HKGF CCCCOP(=O)(OCCCC)[C@@H]1C(C#N)=C(N)Oc2c1cccc2C(C)(C)C 103250589 RARMYBCXGZHCFO-FQEVSTJZSA-N 420.490 5.938 50 1 HKGF CC[C@H](C)n1cc(Cl)c(-c2nc3cc(S(F)(F)(F)(F)F)ccc3[nH]2)n1 587080530 QBRZZSAPBPUAHF-QMMMGPOBSA-N 400.804 6.708 50 1 HKGF CCCc1c(O)ccc2c1O[C@@](CCCl)(c1ccc(Br)cc1)CC2=O 587458300 RMOJATWWXJGLSQ-HXUWFJFHSA-N 423.734 5.597 50 1 HKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2cccc3cc[nH]c23)N1 587683601 HRJAOBGDQLBDTM-NSPYISDASA-N 407.714 5.086 50 1 HKGF Cc1cc(-c2csc(/C(C#N)=C/c3cccs3)n2)c(C)n1-c1ccccc1F 587922044 HYEXFZVZLWCZMC-LFIBNONCSA-N 405.523 6.482 50 1 HKGF CCc1ccc(-n2c(C)cc([C@]3(CCl)NCCc4c3sc(C)c4C)c2C)cc1 963016845 CNZGIILIFMFQOW-DEOSSOPVSA-N 413.030 5.963 50 1 HKGF C/C(=C\CC[C@]1(C)CC[C@H]([C@@H](C)C(=O)O)OO1)CC[C@@]12O[C@]1(C)CCCC2(C)C 64373227 ZJDQUUJWNSJRQH-IFWRADHYSA-N 408.579 5.821 50 1 HKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(C)c(C)c1)CC2=O 587456488 PIDXKRIKYTWCNM-OAQYLSRUSA-N 403.316 5.217 50 1 HKGF Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1CCC(C)C 587497251 HZFYYBKZPYSAFO-VWLOTQADSA-N 413.989 6.129 50 1 HKGF COc1ccccc1[C@@]1(C)C[C@H]1c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587930212 NMNHQHVBBPNVKR-SCLBCKFNSA-N 404.404 6.674 50 1 HKGF COc1ccc(OC)c2c1C[C@@H](C)N[C@H]2c1cc(C)cc(S(F)(F)(F)(F)F)c1 963577780 DZBOKEAICSVBJN-BLVKFPJESA-N 423.447 6.293 50 1 HKGF CCCCNc1nc(SCCC)nc2c1cnn2C[C@@H](Cl)c1ccccc1 40846980 SWKWLDOGKJDBAI-QGZVFWFLSA-N 403.983 5.521 50 1 HKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(Cl)s2)N1 587850144 XLMBQLVLBPQHKG-GLEZIHRCSA-N 409.151 5.320 50 1 HKGF CC(C)(Cl)[C@@H](Br)CC/C(CBr)=C(\Cl)CCl 73316110 NSQLVXCLUIIUAA-FLOXNTQESA-N 401.397 5.674 50 1 HKGF COc1cc2c3c(c1)O[C@](c1ccc(Cl)cc1Cl)(C(Cl)Cl)[C@@H](C2)C3=O 587416672 BXGUSPSCVKRUSB-SGTLLEGYSA-N 418.103 5.449 50 1 HKGF CCCN1[C@H](C)Cc2ccccc2[C@]1(Cn1cccc1C=C(C#N)C#N)c1ccccc1 963243315 RRCFNIPXVGYBQV-DFHRPNOPSA-N 420.560 5.519 50 1 HKGF COc1c(CC=C(C)C)c(O)c(C(C)=O)c2c1C[C@@H](OO)[C@](C)(CCC=C(C)C)O2 2356430460 VINMEZFCMWVMAA-DVECYGJZSA-N 418.530 5.410 50 1 HKGF CC(/C=C\C=O)=C/C=C/C=C(C)/C=C/C=C(C)\C=C\[C@@]12O[C@@]1(C)C[C@@H](O)CC2(C)C 100782886 QZOYIQGWDBXSHB-AZOFUWCESA-N 408.582 5.958 50 1 HKGF endogenous,in-man C[C@@H](c1ccc(CBr)cc1)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 586973632 MLBTVLOSBPZXQB-ZDUSSCGKSA-N 421.342 5.441 50 1 HKGF O=C(/C=C\c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)Nc1ccc(F)cc1 587167901 ZPYRGICXTLKSQJ-FPLPWBNLSA-N 407.339 6.011 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(C(C)(C)C)cc1)([C@H](C)Br)O2 587372527 JOOAWPBNPRISTM-FPTDNZKUSA-N 416.359 5.519 50 1 HKGF CC(C)(C)C(=O)Nc1cccc(SSc2cccc(NC(=O)C(C)(C)C)c2)c1 13813299 CUSUKFZFHVMKPZ-UHFFFAOYSA-N 416.612 6.455 50 1 HKGF Cc1cc(/C=C(/C#N)c2nc3cncnc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587054230 DGRYYENTZPCGDR-AUWJEWJLSA-N 409.280 5.131 50 1 HKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)C1CCCCC1 587539225 UWYJXPSMHMIQMY-NQIIRXRSSA-N 417.299 5.068 50 1 HKGF Cc1cc(C)c([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1C 587688730 NMVOZQMXYMGUCK-ZSEKCTLFSA-N 424.785 5.838 50 1 HKGF COC(=O)C[C@H]1CC[C@@](CCCC#CC=CCCCCCCCC(C)=O)(OC)OO1 2356842576 MVVBVWGLTALOPD-VWNXMTODSA-N 422.562 5.052 50 1 HKGF O=C1c2ccccc2-c2c(CCCl)c(-c3ccc(F)cc3)nc3ccc(O)c1c23 586989112 WZTCUZRUPHYTRV-UHFFFAOYSA-N 403.840 5.739 50 1 HKGF N#CSC[C@@]1(c2cccc(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587606908 JLIYYSDBZLHECV-KNQAVFIVSA-N 423.877 5.117 50 1 HKGF Cc1cc(C)c([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 587688323 LHIVKDVIGLMBML-VLIAUNLRSA-N 410.758 5.530 50 1 HKGF O=C(N/N=C/c1cccc2ccccc12)c1cc(-c2ccc(F)cc2F)ccc1O 221338274 XZRXJQOYZSTTPW-MZJWZYIUSA-N 402.400 5.255 50 1 HKGF Cc1cc2nc([C@@H](C)c3ccc(CBr)cc3)[nH]c2cc1Br 586973245 GZDKBVNUWBEDHU-NSHDSACASA-N 408.137 5.681 50 1 HKGF N#C/C(=C/c1ccccc1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 587188536 SGWGRCONXWHTIB-WDZFZDKYSA-N 408.177 5.288 50 1 HKGF COc1cccc(-c2cc(-c3cccc(N=C=S)c3)nc3c2oc2ccccc23)c1 587366504 RUMQKKPJMXBUNC-UHFFFAOYSA-N 408.482 7.058 50 1 HKGF COc1cc2c3c(c1)O[C@](c1ccc(C(C)C)cc1)([C@@H](C)Br)[C@@H](C2)C3=O 587413249 GAYPQMCLFJNVQA-JCHSIQAQSA-N 415.327 5.245 50 1 HKGF O=C1C[C@H](c2ccc(N(CCCl)CCCl)cc2)Oc2c1ccc1c2CCCC1 587498950 REXUPKOIBLDAJU-JOCHJYFZSA-N 418.364 5.556 50 1 HKGF CCN(CC)Cc1ccc(NC(=O)NN=C(c2ccccc2)c2ccccc2)cc1 1857583934 FXGATYZTDNGXQN-UHFFFAOYSA-N 400.526 5.103 50 1 HKGF ClC1=C(Cl)[C@]2(Cl)[C@@H]3[C@@H]([C@H]4O[C@]4(Cl)[C@H]3Cl)[C@@]1(Cl)C2(Cl)Cl 100898129 VWGNQYSIWFHEQU-BJKNTNMXSA-N 423.765 5.019 50 1 HKGF in-vitro Br[C@@H]1C2(SCCS2)[C@H]2C[C@H](c3ccccc32)C12SCCS2 299814385 FRLOUEROUMPIGM-WDNDVIMCSA-N 417.484 5.387 50 1 HKGF CCCCOc1cc2nc([C@H](Br)C(C)(C)F)[nH]c2cc1Br 587087557 RKDQOGCYGSRZBI-ZDUSSCGKSA-N 422.136 5.688 50 1 HKGF CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)cc1)([C@H](C)Br)CC2=O 587456106 KUXXECDODIIJLD-FKIZINRSSA-N 423.734 5.642 50 1 HKGF CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@@H](Br)[C@H]2CC[C@@]1(C)C2(C)C 587461497 XNQBKRMAYCEKDP-BLEKSLEDSA-N 407.348 5.268 50 1 HKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1cccc(Cl)c1 587544457 NWEZACQVHCDEDU-NQIIRXRSSA-N 401.245 5.142 50 1 HKGF C[C@@H](Br)[C@@]1(c2ccc(F)cc2)NCCc2cc(-c3ccccc3)ccc21 962662857 CTHQLNUCRGGXAE-MWTRTKDXSA-N 410.330 5.665 50 1 HKGF ClC[C@]1(COc2ccc(Cl)cc2)c2ccsc2CCN1Cc1cccnc1 963000646 WDHMKOBOIXSOEH-NRFANRHFSA-N 419.377 5.368 50 1 HKGF Cc1cc([C@]2(CCl)c3ccc(F)cc3C[C@@H]3CCCN32)c(C)n1CCC(C)C 963102804 RZILDOYAZAGCRR-URXFXBBRSA-N 402.985 5.793 50 1 HKGF C[C@]1(CCCCCCCCCCC=Cc2ccccc2)C[C@@]2(C)OC(=O)C[C@H]2OO1 2356398310 PVHBSURZEKXSCP-DMTNHVFBSA-N 414.586 6.786 50 1 HKGF CCc1ccc([C@]2([C@H](C)Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587545635 RWTAXXOZOCXDSJ-HXKVFGNASA-N 408.881 5.439 50 1 HKGF COc1ccc2c(c1)[C@](CCCCCCl)(c1ccc(Cl)nc1)N[C@@H]1CC[C@@H]21 962998899 WXLBTHBDEPAMAZ-DWLFOUALSA-N 405.369 5.636 50 1 HKGF CC(C)N=C1CCC[C@H]1C(=S)SSC(=S)[C@@H]1CCCC1=NC(C)C 1857741923 SNLSXBAIXLUAAE-ZIAGYGMSSA-N 400.704 6.322 50 1 HKGF O=[P@](Nc1cccc(Cl)c1)(Oc1ccccc1)N(CCCl)CCCl 6575483 XPVYUVBDAQWVOI-XMMPIXPASA-N 407.665 5.719 50 1 HKGF C[N+](C)(C)CCO[P@@](=O)(O)OCCCCCCCCCCCCCCCl 40896469 GIWIELCAESKWEN-UHFFFAOYSA-O 414.975 5.746 50 1 HKGF COc1ccc([C@H]2CC3=NC(C)=C(C#N)[C@H](c4ccc5c(c4)OCO5)C3=C(O)C2)cc1 103996559 AQLIFGBLQZRVSR-XDHUDOTRSA-N 414.461 5.149 50 1 HKGF COc1ccc(-c2nc3sc(Cc4ccc(Cl)cc4)nn3c2SC#N)cc1 299830017 NMTMRCQHETXBTP-UHFFFAOYSA-N 412.927 5.284 50 1 HKGF FS(F)(F)(F)(F)c1ccc2nc(-c3ncsc3-c3ccccc3)[nH]c2c1 587028517 UXXBTLQKAZRLNQ-UHFFFAOYSA-N 403.401 7.011 50 1 HKGF C[C@@]1(c2ccccc2NC(=O)CCCCl)CC(=O)c2ccc3c(c2O1)CCCC3 587496008 BGCYKTAOEYQTBC-DEOSSOPVSA-N 411.929 5.404 50 1 HKGF O=C1C[C@](CBr)(c2ccc3ccccc3c2)Oc2c1ccc1c2CCCC1 587501788 YDPBHLNVFHHKAB-DEOSSOPVSA-N 421.334 5.974 50 1 HKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)c1csc2ccccc12 587617597 KSSBOENCVOVVGT-NZQKXSOJSA-N 422.889 5.703 50 1 HKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(C2CCC(F)(F)CC2)N1 587722920 UMIVHSHIGBUAFA-BMLIUANNSA-N 410.705 5.382 50 1 HKGF CCCCCCCC/C=C(\Br)[C@H](O)C(Br)Br 1655028 OXAKHAUHUJIBEU-JUDLJHIGSA-N 421.011 5.493 50 1 HKGF O=C1c2ccc(O)cc2OC2([C@@H]1c1ccc(F)cc1)[C@H](Cl)CCCCC[C@H]2Cl 587330227 NDSSJXFGKXTNBJ-VAMGGRTRSA-N 423.311 5.808 50 1 HKGF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(CCCCCl)c1ccc(F)c(C)c1 963636651 RMUKWVGNPCRICR-HJPURHCSSA-N 405.941 5.338 50 1 HKGF Cc1ccc(/C=N/c2ccccc2C(=O)NNc2ccnc3cc(Cl)ccc23)cc1 1772579883 SQEHFMYBTMXTQW-JFLMPSFJSA-N 414.896 5.704 50 1 HKGF CC(C)(C=C[C@@H]1[C@H]2c3c4cc5oc(=O)ccc5c3O[C@@]1(C)CC[C@@H]2C(C)(C)O4)OO 2356649804 ZPVBIQWUZYXRCN-GNOKXTTDSA-N 412.482 5.049 50 1 HKGF CCO/C(O)=C1\C(CSc2ccccc2)=NC(C)=C(C#N)[C@@H]1c1ccccc1Cl 40447630 FDORASXWYLQXSN-JSMIYBGHSA-N 424.953 6.274 50 1 HKGF C=C(c1ccc(Oc2ccc3ccccc3c2)cc1)[C@@H]1COC2(CCCCC2)OO1 58626671 GRQLUNDSSFPIGQ-VWLOTQADSA-N 402.490 6.653 50 1 HKGF Cc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)c1 587327340 PICGNCUBTMGHIN-UPVQGACJSA-N 410.872 5.641 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)n(-c3ccc(F)cc3)c1C)O2 587385787 VDMYKDKGAOZLLH-QHCPKHFHSA-N 412.892 5.223 50 1 HKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2csc3ccccc23)N1 587854557 CVGCJBVCRKGZKD-NSPYISDASA-N 424.766 5.820 50 1 HKGF COc1ccc(Cl)cc1C#CCc1c(C)c(C)c(CBr)c(C)c1C 587898098 FLBUSJTVPWOXLM-UHFFFAOYSA-N 405.763 6.071 50 1 HKGF CCCCCCC[C@H](C)CC[C@H](C)C(=O)OC=C[C@H](Br)OC(C)=O 2356655666 JZGQWWKTVUYPPC-XYJFISCASA-N 405.373 5.740 50 1 HKGF CCCCCCCCCC[C@@H](Cl)CCCCCNc1ccc(C(=O)OCC)cc1 43706196 OFNAAZYTQPZNKY-HSZRJFAPSA-N 424.069 7.974 50 1 HKGF O=C(N/N=C(/c1ccc2c(c1)CCCC2)C1CCCC1)c1cc2ccccc2cc1O 103234597 JGNJAOUXAKHHDL-BYCLXTJYSA-N 412.533 5.749 50 1 HKGF O=C1c2ccc(O)cc2O[C@](CCl)(c2c[nH]c3ccccc23)[C@@H]1c1ccc(F)cc1 587327681 QUQHPWJDNNBKTR-ISKFKSNPSA-N 421.855 5.506 50 1 HKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1c(C)[nH]c3ccc(OC)cc13)CC2=O 587458401 AYAJDXLHDAMFKT-QHCPKHFHSA-N 413.901 5.243 50 1 HKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(F)c(C)c1)CC2=O 587467845 SVXBQZCMXPZLOS-FQEVSTJZSA-N 407.279 5.048 50 1 HKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12[C@H](Cl)CCCCC[C@H]2Cl 587547079 LEBZXDRJSVLXFB-KURKYZTESA-N 407.293 5.272 50 1 HKGF CCCC/C=C/c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587965392 LKYGNPMRIZMCQT-AATRIKPKSA-N 405.230 7.186 50 1 HKGF O=C1CCC(c2ccccc2)(c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)CC1 587971198 VZDHCIDKJBPHHH-UHFFFAOYSA-N 416.415 6.650 50 1 HKGF C[C@H](Cl)[C@]1(c2c[nH]c3ccccc23)c2cccc(Br)c2CCN1C 963279654 IGRMEEBASUADIM-RNODOKPDSA-N 403.751 5.289 50 1 HKGF C=C1CC[C@H](O)C=C1[C@@H](/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCCC(C)C)OO 102193825 OKWXSBKIQMWBRN-NGJDQXFBSA-N 416.646 7.087 50 1 HKGF CCc1nn(C)c(C(=O)N[C@H](CCl)c2ccc(Oc3ccccc3)cc2)c1Cl 103170580 VKRZGTXOLBXZCX-GOSISDBHSA-N 418.324 5.138 50 1 HKGF C=CCC/C=C\C=C/CCCCCC[C@H]1CC[C@H]([C@@H]2CC[C@@H](CC(=O)OC)OO2)O1 135803806 SNBDLVZWQJBVDH-BDTZHRGNSA-N 420.590 5.996 50 1 HKGF C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587068548 CKQQQGOKIGVHEV-SNVBAGLBSA-N 424.822 7.250 50 1 HKGF C[C@@H](Br)[C@]1(c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587505754 PYMURIQAEOWUID-ASSNKEHSSA-N 403.291 5.349 50 1 HKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ccc(Cl)cc1 587546652 XBVLPASPYCKILH-GHTZIAJQSA-N 401.245 5.142 50 1 HKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ccc(Cl)cc1 587546660 XBVLPASPYCKILH-WIYYLYMNSA-N 401.245 5.142 50 1 HKGF Cc1c(F)ccc2c1[C@@](CCl)([C@H](C#N)c1nc(-c3cccs3)cs1)NCC2 962295415 DPTPWKCHBDXHDF-JLTOFOAXSA-N 417.962 5.206 50 1 HKGF C=C(Br)[C@@](C)(Cl)CC[C@H](Br)C(C)(C)Br 1635862 VYTHSQCDAGXZGQ-WPRPVWTQSA-N 411.403 5.610 50 1 HKGF C=C(Cl)[C@@](Cl)(CCl)CC[C@@H](Br)C(C)(C)Br 1639191 OIAPZPRVTLHFSD-SCZZXKLOSA-N 401.397 5.673 50 1 HKGF C/C(=C\CC[C@]1(C)CC[C@H]([C@@H](C)C(=O)O)OO1)CC[C@]12O[C@@]1(C)CCCC2(C)C 58584061 ZJDQUUJWNSJRQH-ZWFUYRCRSA-N 408.579 5.821 50 1 HKGF N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)N[C@H](c1ccccc1)C1CC1 73142244 FCVRHMFMTPTBFH-CMYVBNMBSA-N 413.433 5.029 50 1 HKGF C=C1C(CCl)(CCl)[C@@]2(Cl)[C@@H](Cl)[C@@H](Cl)[C@@]1(Cl)C2(Cl)Cl 169296424 OEJNXTAZZBRGDN-BUVSBJAHSA-N 411.798 5.378 50 1 HKGF in-vitro CCOC(=O)C(=O)[C@H](Cl)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587358530 ROWQOPDVWNPEDJ-LJQANCHMSA-N 423.852 5.069 50 1 HKGF CCCc1c(O)ccc2c1O[C@](CCCBr)(c1ccc(F)cc1)CC2=O 587466398 KZCNSIMTSUUWCV-NRFANRHFSA-N 421.306 5.520 50 1 HKGF COC(=O)[C@H](C)[C@@H]1CC[C@](C)(CC[C@@H]2C(C)=CC[C@H]3C(C)(C)CCC[C@@]23C)OO1 2356406522 YPMAJMYXHUTKSJ-BXWWMEFGSA-N 406.607 6.244 50 1 HKGF CC(C)=CC(=O)OC[C@@]12CC[C@@H](C)[C@](C)(CC[C@@H](C)CC(=O)O)[C@H]1CCC=C2C=O 13402983 QCBBYPFNMFFJJJ-ROCOLNCUSA-N 418.574 5.345 50 1 HKGF COc1ccc(-c2nc3ccc(O)c4c3c(c2CCCl)-c2ccccc2C4=O)cc1 586985955 NGOGUBCECJPKOI-UHFFFAOYSA-N 415.876 5.609 50 1 HKGF Cc1ccc(/C=C(\C#N)c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)cc1 587187133 CRVHOOWDCYUJTH-LICLKQGHSA-N 424.342 6.123 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccc(CBr)cc1)O2 587376171 IAGWEGDCSOTFGG-HSZRJFAPSA-N 422.322 5.381 50 1 HKGF O=C(N/N=C/c1cccc(Oc2ccccc2)c1)c1cc2c(cn1)[nH]c1ccccc12 1857746470 NTEHPFIZRUWEPI-JFLMPSFJSA-N 406.445 5.272 50 1 HKGF COC(=O)[C@H](C)[C@@H]1CC[C@](C)([C@@H]2C[C@H]3C(C)(C)[C@@H]4CCC(C)=C[C@H]4C[C@]3(C)O2)OO1 2356519802 PNOATZDSQDNWLZ-LEIXUCAUSA-N 420.590 5.231 50 1 HKGF CCO[C@H](C)c1nc(C)c(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)s1 587014422 LPCICEJYVYRVRA-SECBINFHSA-N 413.437 6.750 50 1 HKGF Cc1cc(C)c([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C 587544956 PSLYHISLHFRSNP-ZJSXRUAMSA-N 408.881 5.413 50 1 HKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc3nc(CCl)oc23)N1 587685455 QUHXGOHTDSRTOW-OVWNDWIMSA-N 423.713 5.266 50 1 HKGF CC(C=CC=O)=CC=CC=C(C)C=CC=C(C)C=C[C@]1(O)C(C)(C)CCC[C@]1(C)O 2356558688 IZEAIVHGGJUWLL-SVBPBHIXSA-N 410.598 5.941 50 1 HKGF CC(C)=CCC/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C=O 139830088 AQXFMDSHWVVBIM-DCLDNXSWSA-N 416.649 8.888 50 1 HKGF FC(F)(F)c1cc2nc(CCCCBr)[nH]c2cc1Br 586972094 GGAUZEJEYNJRFZ-UHFFFAOYSA-N 400.036 5.062 50 1 HKGF COC(=O)c1ccc(Oc2ccc3nc([C@@H](Br)C(C)(C)F)[nH]c3c2)cc1 587087176 MOHDSKQLEMZFRQ-MRXNPFEDSA-N 421.266 5.326 50 1 HKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)c1c[nH]c2cc(F)ccc12 587572729 WHPLBSBLWRRNRS-NFBKMPQASA-N 423.827 5.109 50 1 HKGF CCCN1[C@H](C)Cc2ccccc2[C@@]1(Cn1cccc1C=C(C#N)C#N)c1ccccc1 963243318 RRCFNIPXVGYBQV-SKCUWOTOSA-N 420.560 5.519 50 1 HKGF C[C@H]1C[C@@](C)(C[C@H](C)CCCCCCCCc2ccccc2)OO[C@H]1CC(=O)O 146448851 WWELFMUZLGDSGQ-YQHSJXJLSA-N 404.591 6.576 50 1 HKGF CC(=O)O[C@@]1(C)CC[C@@H]2C[C@@H]1OO[C@]2(/C=C\c1ccc(Cl)cc1)c1ccccc1 169324587 VPMHPVYGIYMHSO-ZAPLLRILSA-N 412.913 5.701 50 1 HKGF Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1Cc1ccco1 587496158 BRDBFRURJVOASZ-RUZDIDTESA-N 423.940 5.725 50 1 HKGF COC(=O)[C@H](C)[C@H]1CC[C@](C)(CCCC(C)=CCC2=C(C)CCCC2(C)C)OO1 2356781599 BMRAENRJXMJDHN-LFAGZIFBSA-N 406.607 6.698 50 1 HKGF C[C@@H]1C/C(=N/NC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)CC(C)(C)C1 4865174 UCSKEKJYZDOXDJ-GYRQNLHBSA-N 420.582 5.787 50 3 HKGF CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)O[C@](C)(CC/C=C\C#N)[C@H]3CC[C@@]21C 13782000 PIKMPFHAGPWQAM-MQROPDAHSA-N 413.646 7.073 50 1 HKGF CCc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587327312 OXUBIIBLJSRPAJ-UPVQGACJSA-N 410.872 5.587 50 1 HKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc(C(C)C)cc1C(C)C)CC2=O 587458909 MBPMFIMXXHRZDQ-RUZDIDTESA-N 414.973 6.691 50 1 HKGF COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1CCl 587544708 NKSFESMIEFXHAK-OFNKIYASSA-N 410.853 5.017 50 1 HKGF CC(C)=CC(C=O)=C(C)CCCC(C)=CCC[C@@]1(C)CCc2cc(O)cc(C)c2O1 2356617247 VYQSISDGHVLRPS-MHZLTWQESA-N 410.598 7.163 50 1 HKGF O=C(NNc1cccc(F)c1)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 28641209 CGONRVDHBRLQGB-UHFFFAOYSA-N 415.512 5.599 50 1 HKGF COc1cc2c3c(c1)O[C@](c1cc(C)n(-c4ccccc4)c1C)([C@@H](C)Cl)[C@@H](C2)C3=O 587418712 UZYCKWGEBFYEPE-RQYMNKHTSA-N 421.924 5.373 50 1 HKGF [N-]=[N+]=Nc1ccc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587501814 YQEWWZYTYDEDNH-FQEVSTJZSA-N 412.287 5.763 50 1 HKGF FC(F)(F)c1cccc([C@@]2(CCl)NCCc3cc(-c4ccccc4)ccc32)c1 962658211 CGWXQIFVGKDSIK-JOCHJYFZSA-N 401.859 6.001 50 1 HKGF COc1ccc(OC)c2c1C[C@@H](C)N[C@@H]2c1cc(C)cc(S(F)(F)(F)(F)F)c1 963577782 DZBOKEAICSVBJN-CWTRNNRKSA-N 423.447 6.293 50 1 HKGF C=C1CC[C@H](Br)C(C)(C)[C@H]1CC=C(C)[C@H](CBr)OC(C)=O 2356422014 CAABAOKUTIAZRL-JYJNAYRXSA-N 422.201 5.405 50 1 HKGF CC(C)=CCCC(C=O)=CCCC(C)=CCCC(C)=CCC1=CC(=O)C=C(C)C1=O 2356754525 LBHIBZMBLXNKLE-UHFFFAOYSA-N 408.582 6.726 50 1 HKGF C=C(Br)[C@](C)(Cl)CC[C@@H](Br)C(C)(C)Br 1635863 VYTHSQCDAGXZGQ-PSASIEDQSA-N 411.403 5.610 50 1 HKGF C=C(Cl)[C@@](Br)(CCl)CC[C@H](Br)C(C)(C)Cl 1638688 ODSBJZRNTONBMP-WPRPVWTQSA-N 401.397 5.673 50 1 HKGF Cc1nc(-c2c[nH]cc2-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cs1 587020979 GHWVHYYVAVGYEO-UHFFFAOYSA-N 406.405 6.647 50 1 HKGF Cc1ccc(Cc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1C(F)(F)F 587095683 QHAFVBBTNBDRNZ-UHFFFAOYSA-N 416.337 7.138 50 1 HKGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(C)c1F 587555156 FOABAYWQGXSOLO-WMZHIEFXSA-N 412.844 5.244 50 1 HKGF CC[C@H](C)c1ccc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587687370 GHKAGVUFEPAMAF-PXIJXODZSA-N 424.785 6.118 50 1 HKGF Cc1cc(C)c([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C 587688570 MINNDERUTUHZMO-JLTOFOAXSA-N 410.758 5.530 50 1 HKGF CC(C)=CCC/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C\C=C(C)\C=C\C=C(/C)C=O 936069667 XDVAYNOICRRSLG-MMYDUBBJSA-N 416.649 8.888 50 1 HKGF in-vitro C=C1C[C@H](O)[C@H](Br)C(C)(C)[C@]12CC[C@@](C)(Br)[C@H](Cl)C2 85951594 JPQFUHCOKXIWBB-OEMOEHNSSA-N 414.609 5.028 50 1 HKGF CC(=O)C(C(C)=O)c1ccccc1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 586882186 MDIRSSXFBMYZLW-UHFFFAOYSA-N 418.387 6.149 50 1 HKGF CC[C@@H](Oc1ccccc1Cl)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587062010 NMDOITAEHYBDIH-CQSZACIVSA-N 412.811 7.404 50 1 HKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(-c3ccccc3)c1C)CC2=O 587460619 NZQNFPRBDHOFFS-VWLOTQADSA-N 423.940 5.852 50 1 HKGF CC(C)CC=C[C@@H](C)[C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]23C=C[C@@]2(C[C@@H](O)CC[C@]12C)OO3 2356421030 WISOACODKWCRQK-ZTIYTSHVSA-N 414.630 6.228 50 1 HKGF C=CC[C@H]1[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@@H]2[C@@H](C)C=C[C@@H]21 221738816 KBVXBRXNBBVPFQ-COAUUZIYSA-N 416.681 5.966 50 1 HKGF Cc1ccc([C@]2([C@@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587321828 FMJQFVJWNPDAPO-LIAVLPADSA-N 410.872 5.721 50 1 HKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)Cc1ccccc1Cl 587542223 GEMHWFZFNCKMLF-SIKLNZKXSA-N 415.272 5.228 50 1 HKGF CC(C)c1ccc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587687332 ZYSGNGUULJJKCM-RNODOKPDSA-N 410.758 5.728 50 1 HKGF O=[N+]([O-])c1ccc([C@H](Nc2ccccc2)P(c2ccccc2)c2ccccc2)cc1 73351317 CILRABUVKRASLQ-RUZDIDTESA-N 412.429 5.838 50 1 HKGF Cc1ccc2nc(Oc3ccccc3)c([C@@H]3C(C#N)=C(N)OC4=C3C(=O)CCC4)cc2c1 103189527 NDBOSZUYJYPQLS-HSZRJFAPSA-N 423.472 5.150 50 1 HKGF O=C1c2ccc(O)cc2O[C@](CCl)([C@@H]2C[C@H]3CC[C@H]2C3)[C@H]1c1ccc(F)cc1 587328796 VPHWBRMZZFLEIA-YWFLULCXSA-N 400.877 5.304 50 1 HKGF Cc1[nH]c(C(=O)[C@H](C)Cl)c(C)c1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587102098 QAWLGLLXNXXHGK-ZDUSSCGKSA-N 414.892 5.868 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCCCl)(c1ccc(Br)cc1)O2 587370302 DXVHPUTXJBUPKD-IBGZPJMESA-N 408.723 5.219 50 1 HKGF COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCCCCl 587498843 PUMLLKVZMIIMOE-NRFANRHFSA-N 400.902 5.288 50 1 HKGF CC(C)(C)N(NC(=O)c1ccccc1-c1ccccc1)C(=O)c1ccccc1Cl 653862765 KFIUZCHOVCHEJT-UHFFFAOYSA-N 406.913 5.593 50 1 HKGF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@]2(CCl)CC[C@H]3C2(C)C)c1 587359029 WFFBAFWHRYWVGF-WXTAPIANSA-N 417.936 7.050 50 1 HKGF COc1ccc([C@@]2(CCCCCCCl)c3c(F)cccc3C[C@H]3CCCN32)cc1 963116435 WZNXKISGCCAVHS-BWKNWUBXSA-N 415.980 6.288 50 1 HKGF COC[C@H](CO)N(C)C(=O)CCC=CCCCC[C@@H](Cl)CCCCCCCl 2356825756 HFTYBOHUADLAJY-UXHICEINSA-N 424.453 5.146 50 1 HKGF N#CC1=C(N)Oc2ccc(Sc3nc4ccccc4s3)cc2[C@H]1c1cccs1 64446601 OAZAZOCEMWOKMS-LJQANCHMSA-N 419.556 5.727 50 1 HKGF CC1(C)[C@@H](Br)CC[C@@]1(C)[C@@]1(O)CC[C@](C)(Br)[C@@H](Cl)C1 217017610 RITYTGBWLLRFSG-XSXPHNMFSA-N 416.625 5.252 50 1 HKGF CCCCCc1c(CBr)nc2c(C)ccc3c2c1-c1ccccc1C3=O 586992318 AATHNZHFDNNHAW-UHFFFAOYSA-N 408.339 6.382 50 1 HKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)C1CCC(F)(F)CC1 587554119 HHJXICAWQQJDIT-DYESRHJHSA-N 408.828 5.157 50 1 HKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(CBr)cc2)N1 587672173 DNCWFUZTHGWCGI-DYZYQPBXSA-N 413.128 5.107 50 1 HKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCCCl)(c2ccc(F)cc2)N1 587729022 GIHGGDNNYBTLJT-HXPMCKFVSA-N 414.721 5.524 50 1 HKGF COc1ccc(Cl)cc1C#Cc1ccc(C(F)(F)F)cc1CBr 587913884 MMBHEVWRJFHCOP-UHFFFAOYSA-N 403.625 5.662 50 1 HKGF CCCN1[C@@H](C)Cc2ccccc2[C@]1(CCCCl)c1cccc(Br)c1 963238172 HZCVNCRQDNJJHU-JTSKRJEESA-N 420.822 6.368 50 1 HKGF C=C(Br)[C@](C)(Br)CC[C@@H](Br)C(C)(C)Cl 1637284 ORSDYIOUHDVWAO-PSASIEDQSA-N 411.403 5.610 50 1 HKGF C[C@]1(CCCCCCCC/C=C\C=C\c2ccccc2)C[C@]2(C)OC(=O)C[C@@H]2OO1 200134925 KEKDEOVVWKTZKA-NHVQDUEMSA-N 412.570 6.562 50 1 HKGF C=CC[C@@](C)(N)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587257561 GMCAOSCDIOEZQT-GFCCVEGCSA-N 406.218 5.733 50 1 HKGF CC[C@H](C)c1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587541498 CBOWWEKKLMFARG-PMHROOCVSA-N 422.908 6.002 50 1 HKGF COc1ccc([C@]2(CCCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587684789 MNZUUDHKSNLOAT-BUXKBTBVSA-N 412.730 5.004 50 1 HKGF O=C(NN=C1C[C@@H](c2ccccc2)N[C@H](c2ccccc2)C1)c1ccc(Cl)cc1 1772592205 JHTUKDCFZIIUCG-GOTSBHOMSA-N 403.913 5.292 50 1 HKGF CCCCCC=CC[C@H](O[Si](C)(C)C)[C@H](CCCCCCCC(=O)OC)OC 2356514836 NVKODTLOGVHURD-VXKWHMMOSA-N 414.703 6.652 50 1 HKGF ClC[C@@H](Cl)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 587007496 DOFCOIFJDCKCOM-GFCCVEGCSA-N 400.103 5.423 50 1 HKGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2cccc3cc[nH]c23)[C@H]1c1ccc(F)cc1 587325397 DVKJLJXAOJISKB-URXFXBBRSA-N 421.855 5.506 50 1 HKGF Cc1cc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1Cl 587499413 MXQITXBGOWUWAY-NRFANRHFSA-N 419.746 5.783 50 1 HKGF Cc1cc([C@]2([C@@H](C)Cl)c3ccc(F)cc3C[C@H]3CCCN32)c(C)n1-c1ccccc1 963111959 WISAJESAHCRJAP-RTGAMMJTSA-N 422.975 6.125 50 1 HKGF O=C(Nc1ccc([C@@]2(CCl)NCCc3cc(Cl)ccc32)cc1)c1ccccc1 963390901 OIHONBMXDLGKOM-HSZRJFAPSA-N 411.332 5.220 50 1 HKGF S=C(SSc1cccc2ccccc12)N1CCC(Cc2ccccc2)CC1 1857746598 FTCUFFSOOVHWBA-UHFFFAOYSA-N 409.645 6.820 50 1 HKGF COC(=O)[C@H](C)[C@@H]1CC[C@](C)([C@@H]2C[C@@]3(C)[C@H](C)C[C@H]4C=C(C)CC[C@H]4[C@@]3(C)O2)OO1 42878399 ZUKFYDKHJLXOAT-MCOBSHKRSA-N 420.590 5.231 50 1 HKGF C[C@@H](c1ccc(CBr)cc1)c1nc2cc(Br)c(F)cc2[nH]1 586972917 CTKBRFLIHMPFKA-VIFPVBQESA-N 412.100 5.511 50 1 HKGF O=C1c2ccc(O)cc2O[C@](CCl)(C2CCC(F)(F)CC2)[C@@H]1c1ccc(F)cc1 587330397 HHCZFWPSWWTVTA-DENIHFKCSA-N 424.846 5.693 50 1 HKGF COc1ccc(Cl)cc1C#Cc1ccc(/C(C#N)=C/c2ccc(C(C)C)cc2)cc1 587905603 BEOMRWGFEYVIER-PCLIKHOPSA-N 411.932 6.936 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@]([C@@H](C)Br)(C13CC4CC(CC(C4)C1)C3)O2 587372402 IOWWVBRUTGZSKW-OKLCXMGGSA-N 418.375 5.281 50 1 HKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCCl)c1ccc(Cl)cc1 587546706 XIOHALIMKRQEGF-DENIHFKCSA-N 415.272 5.532 50 1 HKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCCl)(c2ccc(Cl)cc2)N1 587685849 RUZBARWLTUWKHW-ZMZPIMSZSA-N 417.149 5.648 50 1 HKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc(Br)cc1)CC2=O 587459420 WPZVYZFYYQGLNK-LJQANCHMSA-N 409.707 5.207 50 1 HKGF Cc1ccc(C)c([C@]2([C@H](C)Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587689881 XNQVQLUYOGORHR-YRVVQQKDSA-N 410.758 5.610 50 1 HKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1F 587712713 AAHIWCZOQVHTGK-ADLMAVQZSA-N 400.694 5.052 50 1 HKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2csc3ccccc23)N1 587858782 UJOWOZJSOJUNKE-JEOXALJRSA-N 424.766 5.820 50 1 HKGF CCCCCCCC[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](Cl)CC[C@]4(C)[C@H]3CC[C@@]21C 2356743346 VPYNRYXSMJMETL-LZYXPVFYSA-N 405.110 8.923 50 1 HKGF CC(C)(C)N(C(=O)c1ccccc1)N(SOc1ccccc1)C(=O)c1ccccc1 103292125 ZUUVJUHYDRCYIK-UHFFFAOYSA-N 420.534 5.627 50 1 HKGF CC(C)=CCC/C(C=O)=C\CC/C(C)=C/CC/C(C)=C\CC1=CC(=O)C=C(C)C1=O 207854517 LBHIBZMBLXNKLE-WHERFNCMSA-N 408.582 6.726 50 1 HKGF C=C1CCC[C@@H]2[C@@](C)(CC[C@]3(C)CC[C@@H]([C@@H](C)C(=O)OC)OO3)[C@H](C)CC[C@@]12C 238774694 XZMSFDWECPXXRJ-DEUQAICHSA-N 406.607 6.244 50 1 HKGF C[C@H](Cl)[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587544276 NLIAHMQGEIQYKX-MCVWCKRISA-N 415.272 5.530 50 1 HKGF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3cc(S(F)(F)(F)(F)F)ccc3[nH]2)cc1 587787407 VIDQITZHVPVWQN-ZIAGYGMSSA-N 418.387 6.164 50 1 HKGF CC1=C(CC[C@]2(C)O[C@@H]2CC[C@]2(C)CC[C@H]([C@@H](C)C(=O)O)OO2)C(C)(C)CCC1 2356514910 QVVWUQNRKZFZHV-SLPWESRLSA-N 408.579 5.821 50 1 HKGF CC(=CC[C@H](Cl)[C@](C)(Br)CCl)[C@@H](Cl)CBr 2356754106 HHJBRGGJADRQIH-LPEHRKFASA-N 401.397 5.325 50 1 HKGF CC=CCCCCCCCCCCCCC[C@]1(OC)C=C[C@H](CC(=O)OC)OO1 2356806691 VWCFIIQGQOPFRB-ISKFKSNPSA-N 410.595 6.426 50 1 HKGF COc1ccccc1[C@]1(C)C[C@@H]1c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587930205 NMNHQHVBBPNVKR-ACJLOTCBSA-N 404.404 6.674 50 1 HKGF Fc1ccc([C@@]2(CCCCCCl)NCCc3nc4ccccn4c32)cc1Cl 962986312 SJEFLOBFJQWQPS-OAQYLSRUSA-N 406.332 5.315 50 1 HKGF CC(=CCC[C@H](C)CC(=O)[C@H](O)[C@@H](C)Cl)CCCc1coc(Cc2ccoc2)c1 2356738733 WHSPRQDLSQTWAX-XLNZFTOWSA-N 420.977 6.096 50 1 HKGF CC(=CC[C@H](Cl)[C@@](C)(Br)CCl)[C@H](Cl)CBr 2356754107 HHJBRGGJADRQIH-UTLUCORTSA-N 401.397 5.325 50 1 HKGF CC(C)C1=CC2=C(CC1)[C@]1(C)CCC[C@](C)(C(=O)Oc3ccc([N+](=O)[O-])cc3)[C@H]1CC2 2356859009 WPVWDFXFXSUCSJ-RNXOBYDBSA-N 423.553 6.780 50 1 HKGF C=C1[C@H](O)C=C(Br)C(C)(C)[C@]12CC[C@@](C)(Cl)[C@H](Br)C2 13449878 HFEBOTPUYODHCO-LTZCYQRMSA-N 412.593 5.153 50 1 HKGF biogenic O=C1C[C@](CBr)(c2ccc(Cl)cc2)Oc2c1ccc1c2CCCC1 587500674 UNLAWXTWFVFFOC-FQEVSTJZSA-N 405.719 5.474 50 1 HKGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(F)cc1F 587556320 JJCXDXRKESWQJK-SIKLNZKXSA-N 416.807 5.075 50 1 HKGF Cc1ccc2c([C@]3(CCl)NCCc4cc(-c5ccccc5)ccc43)c(C)n(C)c2c1 962664967 JACLWPFBOOXLMW-HHHXNRCGSA-N 414.980 6.090 50 1 HKGF C[C@@H](c1ccc(CBr)cc1)c1nc2cc(C#N)cc(Br)c2[nH]1 586974769 ZJMNXUKMIUBPJO-JTQLQIEISA-N 419.120 5.244 50 1 HKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)C1CCC(F)(F)CC1 587554122 HHJXICAWQQJDIT-LAUBAEHRSA-N 408.828 5.157 50 1 HKGF Cc1ccc(C)c([C@]2([C@@H](C)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587689879 XNQVQLUYOGORHR-JZKQVHKSSA-N 410.758 5.610 50 1 HKGF C[C@H](Cl)[C@@]1(c2ccc(F)cc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 587724462 IDHIMQXXXDSCLA-JJQCHNSYSA-N 418.684 5.272 50 1 HKGF COc1cc2oc(=O)cc(-c3ccccc3)c2cc1OCCCCCBr 1857743893 UNPNKVQSQMZOMM-UHFFFAOYSA-N 417.299 5.413 50 1 HKGF O=[N+]([O-])c1ccc([C@@H](Nc2ccccc2)P(c2ccccc2)c2ccccc2)cc1 1653336 CILRABUVKRASLQ-VWLOTQADSA-N 412.429 5.838 50 1 HKGF C=C1CC[C@@H](Br)C(C)(C)[C@H]1Cc1cc(OC)c(Br)cc1O 13415041 UHRXKJFPPKYYEC-BLLLJJGKSA-N 418.169 5.462 50 1 HKGF biogenic Cc1cc(/C=C/C#N)cc(C)c1Oc1cc(Nc2ccc(C#N)cc2)c(N)cc1CO 84604038 SCAYDIVCVMZLRY-ONEGZZNKSA-N 410.477 5.322 50 1 HKGF CC(C)=CCC[C@@H](C)C/C=N/NC(=O)CCCCCCC(=O)Nc1ccccc1O 95808508 ALUIXCPIYNPUHI-VXCWRXKNSA-N 415.578 5.546 50 1 HKGF O=C1c2ccc(O)cc2O[C@](CCl)(c2cc(F)ccc2F)[C@@H]1c1ccc(F)cc1 587332011 KRRINSZNXIWGAL-IFMALSPDSA-N 418.798 5.303 50 1 HKGF C[C@H](Cl)[C@@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587544284 NLIAHMQGEIQYKX-VCHGGQOGSA-N 415.272 5.530 50 1 HKGF CC1(C)[C@]2(C(=O)Nc3cc(Cl)ccc3Cl)CC[C@@]1(C)C(=O)[C@@H]2Br 13143943 UDOMTLSWGZGSJW-AFAVFJNCSA-N 419.146 5.091 50 1 HKGF CC[C@H](Cl)CC[C@H](Cl)[C@H](Cl)C[C@H](Cl)[C@H](Cl)[C@@H](Cl)CCl 299847847 HPSUPGAVFFFPMQ-HGWFIAQESA-N 411.455 6.450 50 1 HKGF CCc1ccc([C@]2([C@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587325486 YCUVSJPOUZREBG-RKPBBICVSA-N 424.899 5.975 50 1 HKGF O=C1c2ccc(O)cc2O[C@](CCl)(c2c[nH]c3ccccc23)[C@H]1c1ccc(F)cc1 587327684 QUQHPWJDNNBKTR-LADGPHEKSA-N 421.855 5.506 50 1 HKGF CCc1ccc([C@]2([C@@H](C)Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587689480 SVJLEJZHSULNGE-RDXCRGQUSA-N 410.758 5.556 50 1 HKGF CC(C)=CCC[C@]1(C)C=C[C@@H](OC(=O)C=C(C)C)[C@]2(C)O[C@@H]2CCC(C=O)=CC1 1911572937 HGBWLGSDUAUYQN-SDZTWWDVSA-N 400.559 5.640 50 1 HKGF C[n+]1cccc(CCCCCCCCCCCCCI)c1 84655006 TZSDEBZQQDFENQ-UHFFFAOYSA-N 402.384 5.780 50 1 HKGF C/C(C=C=C1C(C)(C)C[C@H](O)C[C@]1(C)O)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=O 95636280 DTXLMVIHOKFQAR-GNWWHXHBSA-N 408.582 5.706 50 1 HKGF in-vitro CC1=C(C#N)[C@H](c2ccc(OCc3ccc(F)cc3)cc2)C2=C(O)CC(C)(C)CC2=N1 104016152 BVSIVTPAWONZNW-DEOSSOPVSA-N 416.496 6.373 50 1 HKGF Cc1nc2[nH]c([C@H](C)c3ccc(CBr)cc3)nc2cc1Br 586974140 RFQRVADHHPBRMM-SECBINFHSA-N 409.125 5.076 50 1 HKGF Cc1ccnc2[nH]c(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)nc12 587056318 OVDSAUKQEDADIG-YBEGLDIGSA-N 422.319 6.045 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(C(C)(C)C)cc1)([C@@H](C)Br)O2 587372534 JOOAWPBNPRISTM-PEBXRYMYSA-N 416.359 5.519 50 1 HKGF COc1ccc(Cl)cc1C#Cc1ccc(CBr)c(C(F)(F)F)c1 587914100 XJZQTCLJVHDEGS-UHFFFAOYSA-N 403.625 5.662 50 1 HKGF C=C1C(=O)C=C(Br)C(C)(C)[C@]12CC[C@](C)(Cl)[C@@H](Br)C2 14966181 GBCRADGFVBSNKZ-QEJZJMRPSA-N 410.577 5.362 50 1 HKGF biogenic Cc1nccc2[nH]c(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)nc12 587056274 OMBCOPVHWGANEC-MHWRWJLKSA-N 422.319 6.045 50 1 HKGF Cc1cnc2[nH]c(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)nc2c1 587056331 PDWHECONVQQGEX-CXUHLZMHSA-N 422.319 6.045 50 1 HKGF CC1(C)[C@H]2CC[C@@]1(CBr)c1nc3cccc4c3c(c12)-c1ccccc1C4=O 587102513 WKQWKWQLSFGUII-UPCLLVRISA-N 418.334 5.996 50 1 HKGF O=C1c2ccc(O)cc2O[C@]2(CCC[C@@H]2CCBr)[C@@H]1c1ccc(F)cc1 587319182 ANJDSSZIRCTKHA-MMACOIQUSA-N 419.290 5.214 50 1 HKGF CC(C)N(c1cc(C#CC(C)(C)C)sc1C(=O)O)C(=O)[C@H]1CC[C@H](Cl)CC1 299846957 AWCYVTNQUWGWMD-SHTZXODSSA-N 409.979 5.383 50 1 HKGF O=C1c2ccccc2-c2c(CC3CCCC3)c(CBr)nc3ccc(O)c1c23 586985333 UREJDVPVCXIJAT-UHFFFAOYSA-N 422.322 5.779 50 1 HKGF Cc1ccc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1F 587509286 YHAYWUGUWCISTC-NRFANRHFSA-N 403.291 5.269 50 1 HKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(CBr)c2)N1 587672452 FYLSVLHDTGHCJC-BMLIUANNSA-N 413.128 5.107 50 1 HKGF COc1ccc(C(=O)CC[C@@H]2C=CN(Cc3cccc(Cl)c3)C=C2C#N)cc1OC 1857750173 BOPFNLKYSPIFLY-GOSISDBHSA-N 422.912 5.373 50 1 HKGF [C-]#[N+][C@H]1[C@@](C)(C=C)[C@H](Cl)C[C@@H]2C(C)(C)c3cccc4[nH]c(C(C)(C)C=C)c(c34)[C@@]12O 85599930 XNSXDDHLEKKURV-PJYKFWTKSA-N 423.000 6.218 50 3 HKGF CC1(C)C=C(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)C(C)(C)N1[O] 102057221 HNBPCRLLBNWGQP-UHFFFAOYSA-N 415.517 5.125 50 1 HKGF O=C1c2ccccc2-c2cc(-c3ccc(CBr)cc3)nc3cccc1c23 587101085 CWKURWDGMNGYHR-UHFFFAOYSA-N 400.275 6.008 50 1 HKGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2cc(F)ccc2F)[C@H]1c1ccc(F)cc1 587332018 KRRINSZNXIWGAL-UNMCSNQZSA-N 418.798 5.303 50 1 HKGF CCCc1c(O)ccc2c1O[C@](c1cccc(Cl)c1)([C@H](C)Br)CC2=O 587457006 UIQMAUFWCLSMRK-YUNKPMOVSA-N 423.734 5.642 50 1 HKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(F)cc1F 587715060 GWGPSLVQQPGDFW-MGNBDDOMSA-N 418.684 5.191 50 1 HKGF O=C1c2ccc(O)cc2O[C@]2(CCC[C@H]2CCBr)[C@@H]1c1ccc(F)cc1 587319186 ANJDSSZIRCTKHA-ZKYUUJBMSA-N 419.290 5.214 50 1 HKGF Cc1cc(F)c([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1F 587556912 KWSJWSLLTBNQAY-SIKLNZKXSA-N 416.807 5.075 50 1 HKGF CCc1ccc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 587850078 XANPQLXECFYNKK-BTDLBPIBSA-N 402.760 5.229 50 1 HKGF C=C(CCC1=C(C)CCCC1(C)C)[C@@H](O)CC[C@@]1(C)CC[C@H]([C@H](C)C(=O)O)OO1 42852742 NDKHPMJGCFZKDC-WWOUZDQESA-N 408.579 5.581 50 1 HKGF N#C/C(C(=O)Nc1ccc(C(F)(F)F)cc1)=C(/O)c1ccc(Cl)cc1Cl 59034376 QDGHPCFKPXUHNE-SQFISAMPSA-N 401.171 5.444 50 1 HKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](Oc3cccc4ccccc34)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 136992425 NJOGFTKYXGZKLP-JLPMJCBRSA-N 410.510 5.427 50 1 HKGF COC(=O)c1cc(Cl)c2[nH]c([C@@H](C)c3ccc(CBr)cc3)nc2c1 586974146 RJAXNEHKEYKGCN-JTQLQIEISA-N 407.695 5.050 50 1 HKGF CCCC(=O)Nc1ccc([C@@]2(CCl)CC(=O)c3ccc(O)c(CCC)c3O2)cc1 587462435 ZLZLXJXMHAUTPY-QHCPKHFHSA-N 415.917 5.183 50 1 HKGF C[C@H](Cl)[C@@]1(c2ccc3c(c2)CCC3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587541958 DYVJACGWWKZKGA-PZQJFTFDSA-N 420.892 5.365 50 1 HKGF N#CSC[C@]1(c2cccc(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587606907 JLIYYSDBZLHECV-DENIHFKCSA-N 423.877 5.117 50 1 HKGF CC[C@@H](C)c1ccc2[nH]c(CBr)c(N3C(=O)c4ccccc4C3=O)c2c1 587639362 SXKSXRFSIRMASV-GFCCVEGCSA-N 411.299 5.377 50 1 HKGF COc1ccc(Cl)cc1C#Cc1cn(Cc2ccccc2Cl)nc1N=C=S 587919242 VZHYMIISDRWWMI-UHFFFAOYSA-N 414.317 5.381 50 1 HKGF C=C1CCCC(C)(C)[C@]1(O)CCC(C)=CCC[C@]1(C)CC[C@H]([C@H](C)C(=O)O)OO1 2356336883 RJSBLBVYBHFZDR-TYJFDUFHSA-N 408.579 5.581 50 1 HKGF CCCCCCCCCCCCCCNC(=O)/C(C#N)=C/c1c(C)[nH]c2ccccc12 42878070 CNUGJZBMOYRWFI-BSYVCWPDSA-N 421.629 7.201 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1cc(Cl)cc(Cl)c1)O2 587376288 WKBWADFRTORDAZ-QGZVFWFLSA-N 415.114 5.140 50 1 HKGF O=C1C[C@@](CCl)(c2cc3cc(O)[nH]c3cc2Cl)Oc2c1ccc1c2CCCC1 587498926 QTBRMIJJXDACNY-JOCHJYFZSA-N 416.304 5.505 50 1 HKGF Cc1cccc2[nH]cc([C@@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)c12 587684730 LVXMXIVXIOANED-FKIZINRSSA-N 421.741 5.395 50 1 HKGF C[C@H](CCCCCC/C=C/c1ccccc1)C[C@@]1(C)C[C@@H](C)[C@](O)(CC(=O)O)OO1 147258270 XKAQLEUZKCCIDB-DSAYVMJKSA-N 418.574 5.977 50 1 HKGF N=c1n(CCCCCCCCBr)c2ccccc2n1Cc1ccccc1 377809029 AXGUQSQAIJBKLM-UHFFFAOYSA-N 414.391 5.706 50 1 HKGF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](CCBr)CC3)c1 587361580 WECQMFHFXSLTBZ-CQSZACIVSA-N 422.322 6.471 50 1 HKGF CN(C)/C=C(/C#N)[C@@]1(c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587497291 ACVMYHJBTYEIBX-BAJVAIGLSA-N 406.913 5.049 50 1 HKGF CCCCCCCCc1ccc(-c2[nH]c3cc(Cl)c(F)cc3c2CCl)cc1 587628188 JLOWIHKYXPTFPV-UHFFFAOYSA-N 406.372 8.269 50 1 HKGF C[C@H](Cl)[C@]1(c2ccc(F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587731898 LYZMWCMBAUPGLG-LIBAHTEVSA-N 400.694 5.132 50 1 HKGF C=C1CCCC(C)(C)[C@]1(O)CC/C(C)=C/CC[C@@]1(C)CC[C@H]([C@H](C)C(=O)O)OO1 653719925 RJSBLBVYBHFZDR-OATNISJZSA-N 408.579 5.581 50 1 HKGF Cc1ccc(-c2cc(C(=O)NN=Cc3cccc(Oc4ccccc4)c3)[nH]n2)cc1C 263590510 NUWKAEMRZQSASH-UHFFFAOYSA-N 410.477 5.250 50 3 HKGF Cc1ccc2nc(Oc3ccccc3)c([C@H]3C(C#N)=C(N)OC4=C3C(=O)CCC4)cc2c1 103189531 NDBOSZUYJYPQLS-QHCPKHFHSA-N 423.472 5.150 50 1 HKGF COc1cccc(-c2cc(-c3ccc(CCCl)cc3)nc3c2oc2ccccc23)c1 587358574 SBOMBHAPCNSYET-UHFFFAOYSA-N 413.904 7.105 50 1 HKGF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCCCCl)c(OC)c1)CC2=O 587459815 ILBBPJGOQPJSHS-FQEVSTJZSA-N 404.890 5.068 50 1 HKGF CCCCN(CCCC)c1ccc(/C=N/NC(=O)CCCCCCC(=O)OC)cc1 95808702 JJIMBDNIMAZALI-LKUDQCMESA-N 417.594 5.057 50 1 HKGF BrC/C=C\c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 586972487 UGAITEYVEFNUEP-DAXSKMNVSA-N 422.120 5.313 50 1 HKGF Cc1ccc([C@]2([C@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C 587323636 LOSWBYCBBMLNQQ-KXXXHFJOSA-N 424.899 6.030 50 1 HKGF Cc1[nH]c2ccccc2c1[C@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21 587684764 MDFXQHCEFGSSTG-BIBXISHDSA-N 421.741 5.395 50 1 HKGF C[C@]1(CCCCCCCCCCc2ccc(O)cc2)C[C@@]2(C)OC(=O)C[C@@H]2OO1 2356444019 HTLXDQKFQAWFHV-OEMFJLHTSA-N 404.547 5.630 50 1 HKGF CSc1nc(NC2CCCCC2)c2cnn(C[C@@H](Cl)c3ccccc3)c2n1 13589897 NVAPKTKFDUBCTL-QGZVFWFLSA-N 401.967 5.273 50 1 HKGF COc1ccc(-c2nc(C(=O)N/N=C/C3CCCC3)cc3c2[nH]c2ccccc23)cc1 73157577 WSBDKTPRRAGYIZ-CVKSISIWSA-N 412.493 5.298 50 1 HKGF CC1=C(C#N)[C@H](c2ccc(N(C)C)cc2)C2=C(O)C[C@H](c3ccc(Cl)cc3)CC2=N1 103523697 ZSMIGQDWFQMXAP-KOSHJBKYSA-N 417.940 6.131 50 1 HKGF C[C@H](Cl)OC(=O)O/N=C1\C[C@H](c2ccccc2)N(C)[C@@H](c2ccccc2)[C@H]1C 299848927 PDVATKCRSBHEQS-NNHJQGLHSA-N 400.906 5.535 50 1 HKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c([C@@H](Cl)CCl)nc2c1 587007584 GKPSJDSRUFJSMY-LURJTMIESA-N 420.028 6.502 50 1 HKGF O=C1c2ccc(O)cc2O[C@](CCl)(Cc2ccccc2F)[C@H]1c1ccc(F)cc1 587329336 DOGIODAQOPHWGM-GMAHTHKFSA-N 414.835 5.250 50 1 HKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(C)cc1C)CC2=O 587456035 IZMAQZWWUNOQNH-OAQYLSRUSA-N 403.316 5.217 50 1 HKGF Cc1ccc([C@@]2(CCCCCCCl)c3c(F)cccc3C[C@H]3CCCN32)cc1F 963103717 LLDUZGQODLJJHH-BWKNWUBXSA-N 417.971 6.727 50 1 HKGF Cc1cccc(-n2c(C)cc([C@@]3(CCl)CC(=O)c4cc(C)cc(N)c4O3)c2C)c1 587371547 GRBXBLAPPAMIGF-DEOSSOPVSA-N 408.929 5.393 50 1 HKGF CCCc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587544608 OONXWVOHDRQVTB-QPPBQGQZSA-N 408.881 5.441 50 1 HKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(Cc2ccccc2Cl)N1 587686343 CRMWQPIPHCELMZ-ZMZPIMSZSA-N 417.149 5.453 50 1 HKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(C(Cl)Cl)N1 587690180 ZWMUGSMLPBFSLP-DYZYQPBXSA-N 403.122 5.170 50 1 HKGF CCC[C@@H](c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)C(C)C 587955104 KIPUSEHLYFOXTN-SNVBAGLBSA-N 421.273 7.523 50 1 HKGF CCCCC[C@@H](O)c1ccc([C@H]2CC[C@@H](Cl)[C@@H]2CCCCCCC(=O)O)s1 1772641225 FQVZCNUEXWRBSW-FCGDIQPGSA-N 415.039 6.888 50 1 HKGF CC(C=CC=O)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C(=O)[C@@H](O)CC1(C)C 2356418190 ZHKFZFYUBBVZGB-VWLOTQADSA-N 406.566 5.925 50 1 HKGF ClC1=C(Cl)[C@]2(Cl)[C@@H]3C[C@@H](Cl)[C@@H](Cl)[C@H]3[C@]1(Cl)C2(Cl)Cl 100404689 BIWJNBZANLAXMG-UTXIBVCZSA-N 409.782 5.683 50 1 HKGF CC(C)C/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@]34C=C[C@]5(C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@]12C)OO4 255276035 WISOACODKWCRQK-XRLZFMEMSA-N 414.630 6.228 50 1 HKGF CC(C)Sc1nc(Nc2ccccc2)c2cnn(C[C@H](Cl)c3ccccc3)c2n1 299870923 XFBXMVBTESXVPH-IBGZPJMESA-N 423.973 6.051 50 1 HKGF COc1ccc(Cl)cc1C#Cc1cc(C(C)C)cc(Br)c1N=C=O 587900636 SAZBJPUYDQIMBV-UHFFFAOYSA-N 404.691 5.602 50 1 HKGF CC(C=CC=O)=CC=CC=C(C)C=CC=C(C)C=C[C@]12O[C@@]1(C)C[C@@H](O)CC2(C)C 2356554201 QZOYIQGWDBXSHB-DOEKTCAHSA-N 408.582 5.958 50 1 HKGF Cc1ccc(-c2ccc(-c3nc4cc(S(F)(F)(F)(F)F)ccc4[nH]3)cc2)o1 586903360 OWXQKTBFYGDAHB-UHFFFAOYSA-N 400.372 7.456 50 1 HKGF CC(C)COc1cc2nc([C@H](Br)C(C)(C)F)[nH]c2cc1Br 587086480 AKWQWQVEURLDGJ-ZDUSSCGKSA-N 422.136 5.544 50 1 HKGF O=C1c2ccc(O)cc2O[C@](CCl)(c2cccc(F)c2)[C@H]1c1ccc(F)cc1 587338133 SYXLJERAGWVDQZ-RBBKRZOGSA-N 400.808 5.164 50 1 HKGF C/C(C=O)=C\CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COC(=O)/C=C/C(=O)O 14654662 IPFUHLGHDLEPJG-KCSPCAOWSA-N 402.531 5.495 50 1 HKGF CCCc1c(O)ccc2c1O[C@@](c1ccc(C(C)(C)C)cc1)([C@H](C)Cl)CC2=O 587459768 PJVWUBMCBLSZMC-IZHWHUGBSA-N 400.946 6.130 50 1 HKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c(C)c1C 587543890 MIWNJEIUNBFGOV-DHLKQENFSA-N 422.908 5.722 50 1 HKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(CBr)cc2)N1 587673896 RGAGKSCJYMSKSR-QGHHPUGFSA-N 413.128 5.107 50 1 HKGF C[C@H](Cl)[C@@]1(c2ccc(F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587733226 QAOMDHQVTRKLIU-DDBGAENHSA-N 400.694 5.132 50 1 HKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(Cl)s2)N1 587848929 QABWJWBNEQOPHI-VXJOIVPMSA-N 409.151 5.320 50 1 HKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(Cl)s2)N1 587850145 XLMBQLVLBPQHKG-VXJOIVPMSA-N 409.151 5.320 50 1 HKGF N#CC1=C(N)Oc2ccc(Sc3nc4ccccc4s3)cc2[C@@H]1c1cccs1 64446600 OAZAZOCEMWOKMS-IBGZPJMESA-N 419.556 5.727 50 1 HKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@@H](Cl)CCCCC[C@H]2Cl 587705258 LVMVDWJCUVWIAE-XJNVSXGOSA-N 409.170 5.497 50 1 HKGF COc1ccc2c(c1)[C@H](c1ccc(OC)c(OCCCCl)c1)N(C(C)C)CC2 962085423 ADWJIRCAIDTQCO-QHCPKHFHSA-N 403.950 5.067 50 1 HKGF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](C)(c2ccc(NC(=O)CCCCl)cc2)N1 962963331 YXLITNLCKJZHHG-BXKMTCNYSA-N 409.961 5.313 50 1 HKGF CC(=O)N(N=Nc1cccc(C(F)(F)F)c1)c1cc(C(F)(F)F)ccc1C#N 253638466 RDSOPMYRPLRKOS-UHFFFAOYSA-N 400.282 5.648 50 1 HKGF C[C@@H]1C(=O)C[C@H](c2ccc(Cl)cc2)N(C(=O)CCl)[C@H]1c1ccc(Cl)cc1 299847953 VVZGLJDDTMRIBU-WYAVIUHXSA-N 410.728 5.452 50 1 HKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(C3CC4(COC4)C3)nc2c1 586918601 ZEZARXGZAHQUEE-UHFFFAOYSA-N 419.213 5.877 50 1 HKGF Cc1ncsc1-c1c[nH]cc1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587027277 AIIDPMHSCJVAKZ-UHFFFAOYSA-N 406.405 6.647 50 1 HKGF O=C1C[C@](CCl)(c2ccc(Oc3ccccc3)cc2)Oc2c1ccc1c2CCCC1 587499998 XDRLCHOQBYOGDY-SANMLTNESA-N 418.920 6.457 50 1 HKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(C2CCCCC2)N1 587674598 XZZRRJOZQDJWFN-DIFFPNOSSA-N 419.176 5.293 50 1 HKGF Cc1[nH]c2ccccc2c1[C@@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21 587681776 AQZKHCVMTMUVKV-BIBXISHDSA-N 421.741 5.395 50 1 HKGF CC=CC=CCCCCCCCCCCC[C@]1(OC)C=C[C@H](CC(=O)OC)OO1 2356802225 RYYYFHGENGEKBQ-ISKFKSNPSA-N 408.579 6.202 50 1 HKGF COC(=O)[C@H](C)[C@@H]1CC[C@](C)(CCC=C(C)CC[C@]2(C)[C@H](C)CCC[C@]2(C)O)OO1 2356849927 PYRDXCUKHATXIK-WZKLNUSSSA-N 424.622 5.749 50 1 HKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(Cl)s1)CC2=O 587493768 HTGVKUIIUDRPTE-QGZVFWFLSA-N 415.736 5.315 50 1 HKGF Cc1cc([C@]2(CCCCl)c3ccsc3CCN2Cc2ccco2)ccc1F 962712565 VBXIIWXCUQXBKL-JOCHJYFZSA-N 403.950 6.110 50 1 HKGF C=C1CCCC(C)(C)[C@@]1(O)CC/C(C)=C/CC[C@]1(C)CC[C@@H]([C@@H](C)C(=O)OC)OO1 42876297 RZBOFZRCMWQHOO-NCJNXHNHSA-N 422.606 5.669 50 1 HKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCCCl)(c2cccs2)N1 587844491 AUQMZKRYOZTZSQ-DIFFPNOSSA-N 402.760 5.447 50 1 HKGF Cc1cc(/C=C/C#N)cc(C)c1Oc1cc(NC2CC2)nc(Nc2ccc(C#N)cc2)n1 1857756205 SZLLONQSDHGXPN-ONEGZZNKSA-N 422.492 5.612 50 1 HKGF C=C(C)[C@]1(CCC(C)=CCCC(C=O)=CC[C@@H](O)C2=CC(=O)OC2)CCC[C@H]1C 2356309458 JBWGQHJYPJOQEK-QFZRFWILSA-N 400.559 5.235 50 1 HKGF N#CC1=C(SCc2ccccc2)N=C2CCCC(O)=C2[C@H]1c1ccc2c(c1)OCO2 102632154 DCSXGVRHLZLUAT-QFIPXVFZSA-N 416.502 5.618 50 1 HKGF aggregator CCCC1(c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)CCC1 586877664 JQDSCWXGCXYULA-UHFFFAOYSA-N 419.257 7.205 50 1 HKGF Cc1ccc2c3c(c(CCCl)c(-c4cc(F)ccc4O)nc13)-c1ccccc1C2=O 586994891 FWXLHGVKPAEPQV-UHFFFAOYSA-N 417.867 6.048 50 1 HKGF O=C1C[C@@](CCl)(c2ccc(Br)cc2)Oc2c1ccc1c2CCCC1 587501484 IUFCAWBCTWZHOP-HXUWFJFHSA-N 405.719 5.427 50 1 HKGF O=C1C[C@](CBr)(c2cccc(F)c2F)Oc2c1ccc1c2CCCC1 587502025 HVENMYYELPUIRX-FQEVSTJZSA-N 407.254 5.099 50 1 HKGF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(CSC#N)c1ccc(Cl)cc1Cl 963643291 ZQENJMSNLHUVCH-MPBGBICISA-N 423.365 5.003 50 1 HKGF O=C(Nc1ccccn1)c1c(C(Cl)Cl)nc2c(C(F)(F)F)cccc2c1O 29228647 RRECKIAHSRSNSD-UHFFFAOYSA-N 416.186 5.083 50 1 HKGF CCCCCCCC/C=C\CCCCCCCC(=O)NNC(=O)C[n+]1ccccc1 43641074 OYBPQXDVZMZCAG-KTKRTIGZSA-O 416.630 5.159 50 1 HKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(Cl)c(C)c1)CC2=O 587455422 BXJIMXXYZUDJCD-HXUWFJFHSA-N 423.734 5.562 50 1 HKGF CC(C)(C)c1ccc(C2=C(C#N)C(=O)N[C@](C)(c3ccc(C(C)(C)C)cc3)C2)cc1 1772592798 XNBDYZYPLOVOAZ-MHZLTWQESA-N 400.566 5.994 50 1 HKGF COC(=O)[C@@H](C)[C@@H]1CC[C@@](C)(CC/C=C(\C)CCC2=C(C)C(=O)CCC2(C)C)OO1 238754114 CAFIDQGCHNMPFD-ALZBRIITSA-N 420.590 5.877 50 1 HKGF COc1cc2c3c(c1)O[C@@](CCl)(c1c(Cl)ccc(F)c1Cl)[C@@H](C2)C3=O 587424991 ZQMSUWSVBVXNRU-XTZNXHDOSA-N 401.648 5.023 50 1 HKGF Cc1sc2c(c1C)CCN[C@]2(c1c[nH]c2ccccc12)[C@H](Cl)c1ccccc1 963029310 RLAIPGSWZOWGFM-ISKFKSNPSA-N 406.982 6.216 50 1 HKGF Clc1ccc(-c2noc(-c3occc3Br)n2)c(CBr)c1 43074863 GTKWOKYEWHWNGW-UHFFFAOYSA-N 418.472 5.307 50 1 HKGF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@]34C=C[C@]5(C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@]12C)OO4 44352123 FOISYVRNZSWLHL-MEKQHADNSA-N 416.646 6.452 50 1 HKGF in-vitro N#CC(C#N)=CC=C1C=CN(CC(=O)N2c3ccccc3Sc3ccccc32)C=C1 95596361 FWYQIYLATQRXDY-UHFFFAOYSA-N 408.486 5.059 50 1 HKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](Oc3cccc4ccccc34)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 141247701 NJOGFTKYXGZKLP-JKCRHASVSA-N 410.510 5.427 50 1 HKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)s1 587374430 KACKXNWLZDNTOD-UNMCSNQZSA-N 416.901 5.703 50 1 HKGF O=C1C[C@@](CCCl)(c2ccc(Cl)c(Cl)c2)Oc2c1ccc1c2CCCC1 587499528 UYJUBCPUMAQVLK-NRFANRHFSA-N 409.740 6.362 50 1 HKGF Cc1ccc(-c2[nH]c3ccccc3c2[C@@]2(CCl)NCCc3ccc(O)cc32)cc1C 963341625 NSMQFTPQYJRZJG-SANMLTNESA-N 416.952 5.785 50 1 HKGF COC(=O)[C@H](C)[C@H]1CC[C@@](C)(CCC=C(C)CCC2=C(C)CCCC2(C)C)OO1 2356455867 KGRANTXTMXDAIF-QFZWGZQFSA-N 406.607 6.698 50 1 HKGF C[C@]1(CCCCCCCC/C=C/C=C/c2ccccc2)C[C@]2(C)OC(=O)C[C@@H]2OO1 96086020 KEKDEOVVWKTZKA-NZGJWSFPSA-N 412.570 6.562 50 1 HKGF in-vitro CCCCC[C@H](Cl)[C@H](Cl)C[C@@H](Cl)[C@@H](Cl)CCCCCCCC(=O)O 231930272 FRSRMUYUIAXUAX-MWDXBVQZSA-N 422.264 7.202 50 1 HKGF Cc1ccc(C)c([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587324991 BJSVBPLWASMHJE-LADGPHEKSA-N 410.872 5.641 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)n([C@@H](C)c3ccccc3)c1C)O2 587373491 RBOPOPMGZCJAHX-GKVSMKOHSA-N 422.956 5.704 50 1 HKGF C[C@H](Br)[C@]1(c2ccccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587502095 IERWNIHCYDNDSD-ZSEKCTLFSA-N 403.291 5.349 50 1 HKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)Cc1ccccc1Cl 587542221 GEMHWFZFNCKMLF-DENIHFKCSA-N 415.272 5.228 50 1 HKGF CC[C@H](C)c1ccc2[nH]c(CBr)c(N3C(=O)c4ccccc4C3=O)c2c1 587639363 SXKSXRFSIRMASV-LBPRGKRZSA-N 411.299 5.377 50 1 HKGF COc1ccc(Cl)cc1C#Cc1ccc(/C(C#N)=C\c2ccc(C(C)C)cc2)cc1 587905604 BEOMRWGFEYVIER-XYGWBWBKSA-N 411.932 6.936 50 1 HKGF C[C@@]1(c2ccc(CCCl)cc2)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962639404 LIFLIQTZVXUVCL-XNMGPUDCSA-N 416.996 5.478 50 1 HKGF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](CCCl)(c2ccc(C3OCCO3)s2)N1 962952698 VNOHMIRXNZDYNC-RCDICMHDSA-N 416.974 5.072 50 1 HKGF CC(C)[C@H]1CCC(=O)C[C@@H]1CCCC[C@@H]1CC(=O)C[C@@H]1O[Si](C)(C)C(C)(C)C 195503596 YFMIIKKOFCPZSV-CSGUBPAMSA-N 408.699 6.558 50 1 HKGF C[C@H](c1ccc(CBr)cc1)c1nc2c3cccnc3c3ncccc3c2[nH]1 586973786 OPCLKUPOMSGPNL-CYBMUJFWSA-N 417.310 5.706 50 1 HKGF CCCc1c(O)ccc2c1O[C@](CBr)(C(C)(C)c1ccccc1)CC2=O 587457184 VTBLILQPFHXSDC-JOCHJYFZSA-N 417.343 5.421 50 1 HKGF CC(C)c1ccc(Oc2c(CCl)[nH]c3c2c(Br)cc2n[nH]cc23)cc1 587621167 QVXGSEYPRMYJDJ-UHFFFAOYSA-N 418.722 6.461 50 1 HKGF CCCCC[C@@H](Cl)[C@@H](Cl)C[C@H](Cl)[C@H](Cl)CCCCCCCC(=O)O 100290589 FRSRMUYUIAXUAX-NCOADZHNSA-N 422.264 7.202 50 1 HKGF C/C(=N\NC(=O)COc1ccc2ccccc2c1)c1ccc(-n2c(C)ccc2C)cc1 103238080 RXRCLVARIPXXIJ-NHFJDJAPSA-N 411.505 5.167 50 1 HKGF Cc1cc(C)c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c(C)c1CCl 586984688 ANTLDSDVCNODHI-UHFFFAOYSA-N 413.904 6.483 50 1 HKGF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@@H](Cl)CCCCCCCCC3 587103100 BNRCCSMHXSDBAM-NRFANRHFSA-N 403.953 7.403 50 1 HKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(Cc2ccccc2Cl)N1 587689800 WIXXDEDGHIEQSN-VOJFVSQTSA-N 417.149 5.453 50 1 HKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(C)c1F 587721987 XILWBAJYVUPIGK-BUXKBTBVSA-N 414.721 5.361 50 1 HKGF CSc1nc(NCc2ccccc2)c2ccn(C[C@@H](Cl)c3ccccc3)c2n1 1772617404 PWYVDKFGQPXXFX-LJQANCHMSA-N 408.958 5.745 50 1 HKGF C=C1C[C@H](O)[C@H](Br)C(C)(C)[C@@]12CC[C@](C)(Cl)[C@@H](Br)C2 1655197 KKDUTGUFMQDATD-ZCRGAIPPSA-N 414.609 5.028 50 1 HKGF N#CC1=C(SCc2ccccc2)N=C2CCCC(O)=C2[C@@H]1c1ccc2c(c1)OCO2 102632156 DCSXGVRHLZLUAT-JOCHJYFZSA-N 416.502 5.618 50 1 HKGF aggregator CCCc1c(O)ccc2c1O[C@@](CBr)(c1cc3ccccc3o1)CC2=O 587457339 XTQHZRYDPOXZKR-NRFANRHFSA-N 415.283 5.347 50 1 HKGF CCOC(=O)[C@@H](Cl)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(C)C 587625156 CZIABZVISOOBDG-ZDUSSCGKSA-N 415.761 6.172 50 1 HKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc3c(c2)CCC3)([C@@H](C)Cl)N1 587689572 UQZAVSCBRFPYTN-SQHYZVFZSA-N 422.769 5.482 50 1 HKGF CCO/C(O)=C1\C(CSc2ccccc2)=NC(C)=C(C#N)[C@H]1c1ccccc1Cl 40447629 FDORASXWYLQXSN-FBNDGMMSSA-N 424.953 6.274 50 1 HKGF COc1cccc(-c2cc(-c3cc(CCl)cs3)nc3c2oc2ccccc23)c1 587366537 SOKMVWIZQYRKEF-UHFFFAOYSA-N 405.906 7.124 50 1 HKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCCl)c1ccc(Cl)cc1 587546711 XIOHALIMKRQEGF-SIKLNZKXSA-N 415.272 5.532 50 1 HKGF N#CSC[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587608206 QATPBCYGWOQHOE-SIKLNZKXSA-N 423.877 5.117 50 1 HKGF C[C@H](Cl)[C@@]1(c2ccc3c(c2)CCC3)N[C@H](C)Cc2ccc(F)c(Br)c21 587689570 UQZAVSCBRFPYTN-BHVCSQLQSA-N 422.769 5.482 50 1 HKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(F)cc1F 587715066 GWGPSLVQQPGDFW-YPMLDQLKSA-N 418.684 5.191 50 1 HKGF CC(C)=CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@]34C=C[C@@]5(C[C@H](O)CC[C@@]5(C)C3=CC[C@@]12C)OO4 2356791758 IYAUKUUYXVMEBP-HFCWVSNDSA-N 412.614 6.292 50 1 HKGF CCCCCCNNC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 28641950 RXHMKGKSFDLFBK-UHFFFAOYSA-N 405.586 5.517 50 1 HKGF C[C@H](CCCCCC/C=C\C=C\c1ccccc1)C[C@]1(C)C[C@](C)(CC(=O)O)OO1 44431371 GBVSDTSXHOBZRG-GRVAUEBYSA-N 414.586 6.967 50 1 HKGF Cc1ccc2c3c(c4c(nc13)[C@@H](Cl)CCCCCCCCC4)-c1ccccc1C2=O 586994403 ZZZAOZYEPPUBRO-QFIPXVFZSA-N 417.980 7.711 50 1 HKGF C[C@H](Br)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 587008793 OJXCILYOKKFMJN-JTQLQIEISA-N 410.109 5.360 50 1 HKGF Fc1ccccc1-c1cccc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1 587153162 MONZOBTUPKBPDU-UHFFFAOYSA-N 414.374 7.693 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(C(C)C)cc1)([C@H](C)Br)O2 587370858 CKZZTMLWERAVHU-QKKBWIMNSA-N 402.332 5.345 50 1 HKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(F)cc1F 587715064 GWGPSLVQQPGDFW-XTZNXHDOSA-N 418.684 5.191 50 1 HKGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](CBr)(c2ccccc2Cl)N1 962957242 OASZQKNKPULVKS-ZUOKHONESA-N 403.751 5.384 50 1 HKGF CCCCCCC[C@H](C)CC[C@@H](C)C(=O)O/C=C\[C@@H](Br)OC(C)=O 238739770 JZGQWWKTVUYPPC-UIKVOODDSA-N 405.373 5.740 50 1 HKGF CC1=C(CC[C@]2(C)CC[C@H]([C@H](C)C(=O)O)OO2)[C@]2(C)CCCC(C)(C)[C@H]2CC1=O 238751236 LMYASVRPTJJACG-OOAHCGESSA-N 406.563 5.479 50 1 HKGF Cc1ccc(/C=C(/C#N)c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)cc1 587187134 CRVHOOWDCYUJTH-YVLHZVERSA-N 424.342 6.123 50 1 HKGF C[C@H](Br)[C@@]1(c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587505762 PYMURIQAEOWUID-YEJXKQKISA-N 403.291 5.349 50 1 HKGF CSc1ccccc1[C@@]1(CBr)CC(=O)c2ccc3c(c2O1)CCCC3 587533388 SSKZQWPLDKHNIG-NRFANRHFSA-N 417.368 5.543 50 1 HKGF O=C(CCl)Nc1c(-c2ccccc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587626958 YOZAUBXPSQEUHO-UHFFFAOYSA-N 420.740 6.050 50 1 HKGF COc1ccc2c(c1)C[C@H](c1nc3ccc(S(F)(F)(F)(F)F)cc3[nH]1)CC2 587945002 DDCWVCVRMCKCPZ-GFCCVEGCSA-N 404.404 6.501 50 1 HKGF CC(C)[Si](O[C@@H]1C2=C[C@H]3[C@@H](O)[C@@H](O)[C@H]4[C@H]5C[C@H]3[C@@]2(CC1(C)C)[C@H]54)(C(C)C)C(C)C 2356729032 ASLTZPZDWYLWKE-BKPACAMTSA-N 418.694 5.137 50 1 HKGF C[C@H](/C=C\C/C=C/C/C=C\CCCC(=O)NC1CC1)/C=C\CCCCCN=C=S 1857643342 BARJBEHYTMHBBK-NYGQGYBNSA-N 414.659 6.740 50 1 HKGF CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]2(C)[C@@H]2CC=C(C=O)C[C@]21C 5166397 PTMXVTMFEPDKJQ-GAZMYWJLSA-N 400.603 6.112 50 1 HKGF in-vitro Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c(C)c1C 587543893 MIWNJEIUNBFGOV-WIOPSUGQSA-N 422.908 5.722 50 1 HKGF COc1ccc(C[C@@H](C)c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1OC 587926114 IJPPVSPYPNFOPN-LLVKDONJSA-N 422.419 6.584 50 1 HKGF CC(C)N=C1CCC[C@@H]1C(=S)SSC(=S)[C@@H]1CCCC1=NC(C)C 1857741922 SNLSXBAIXLUAAE-OKILXGFUSA-N 400.704 6.322 50 1 HKGF COc1ccc(/C=C/c2cc(OC)c(O[Si](C)(C)C(C)(C)C)c(OC)c2)cc1 195141997 QYELFYNGCBSTLN-MDZDMXLPSA-N 400.591 6.267 50 1 HKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c(C)c1C 587689546 UGDXNVURUOWQAP-GTJPDFRWSA-N 424.785 5.838 50 1 HKGF Fc1cc(S(F)(F)(F)(F)F)ccc1[C@H]1c2c(F)cccc2C[C@H]2CCCN12 963106839 NYTLYZOQKZWVKZ-XIKOKIGWSA-N 411.386 6.732 50 1 HKGF CC1=CC[C@H]2[C@H](C1)c1c(O)cc(C/C=C/CCCBr)cc1OC2(C)C 27747543 JXQDCHGSXWEBFI-LWLUOKNMSA-N 405.376 6.277 50 1 HKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(F)c(Cl)c2)N1 587719530 PUWBMSAOXGUHGL-XYZCENFISA-N 421.112 5.397 50 1 HKGF COc1cc2c(cc1OC)[C@](CCCCCCl)(c1cccc(C)c1)N(C)[C@H](C)C2 962619654 FFWRWEQCHQSBFO-CLOONOSVSA-N 416.005 5.931 50 1 HKGF Fc1ccccc1[C@@]1(CBr)c2ccsc2CCN1Cc1ccco1 962711708 UQZBWCQYHVILSX-IBGZPJMESA-N 406.320 5.177 50 1 HKGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](CCCCCl)(c2ccc([N+](=O)[O-])cc2)N1 962947997 CXQYEPDJFUMRJO-HXOBKFHXSA-N 411.933 5.653 50 1 HKGF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(CSC#N)c1ccc(Cl)cc1Cl 963643295 ZQENJMSNLHUVCH-ODXCJYRJSA-N 423.365 5.003 50 1 HKGF C[C@H](C(=O)O)[C@@H]1CC[C@](C)(CC[C@]2(C)[C@H](C)CC[C@@]3(C)C(C)(C)CCC[C@]32O)OO1 42852824 UXUKMKIDTWCNIC-INZSJGBLSA-N 424.622 5.740 50 1 HKGF C[C@]1([C@H](Cl)c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587338103 SWGXQKIGTZXJRU-WWNPGLIZSA-N 414.835 5.768 50 1 HKGF C/C(=C\CC[C@]1(C)CC[C@@H]([C@@H](C)C(=O)O)OO1)CC[C@@]12O[C@@]1(C)CCCC2(C)C 103137260 ZJDQUUJWNSJRQH-KFEZZENRSA-N 408.579 5.821 50 1 HKGF CC(C)(C)OSN(C(=O)c1ccccc1)N(C(=O)c1ccccc1)C(C)(C)C 103214495 SIVLBDFBVHHXMV-UHFFFAOYSA-N 400.544 5.363 50 1 HKGF Cc1c(Br)cnc2[nH]c([C@@H](C)c3ccc(CBr)cc3)nc12 586974732 YTGHLEGOADIIGO-VIFPVBQESA-N 409.125 5.076 50 1 HKGF Cc1cc(C)c([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)c1 587328899 WNWNYBTZATUUID-ILBGXUMGSA-N 424.899 5.950 50 1 HKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n([C@@H](C)COC)c1C)CC2=O 587457891 CXTSMQKNZJPZHR-NPMXOYFQSA-N 419.949 5.070 50 1 HKGF C[C@H]1C[C@@](C)(C[C@H](C)CCCCCCCCc2ccccc2)OO[C@@H]1CC(=O)O 2356703842 WWELFMUZLGDSGQ-SWXWDQRWSA-N 404.591 6.576 50 1 HKGF CC(C)(/C=C/[C@@H]1[C@@H]2c3c4cc5oc(=O)ccc5c3O[C@@]1(C)CC[C@H]2C(C)(C)O4)OO 238735181 ZPVBIQWUZYXRCN-SCYXOGRJSA-N 412.482 5.049 50 1 HKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(C(C)(C)C)cc2)N1 587689073 PLAFNYZAOFJSRC-ASSNKEHSSA-N 424.785 5.902 50 1 HKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2cccc(Cl)c2)N1 587689274 RJPVUPJSEWWLOD-BTDLBPIBSA-N 403.122 5.258 50 1 HKGF COC(=O)[C@H](C)[C@@H]1CC[C@](C)(CC[C@@H]2C(C)=CC[C@H]3C(C)(C)CCC[C@]23C)OO1 2356406521 YPMAJMYXHUTKSJ-ABHYAECCSA-N 406.607 6.244 50 1 HKGF COC[C@H](CO)N(C)C(=O)CCC=CCCCC[C@H](Cl)CCCCCCCl 2356825755 HFTYBOHUADLAJY-PMACEKPBSA-N 424.453 5.146 50 1 HKGF COc1ccc(-c2[nH]c3ccccc3c2/C=C(\C#N)S(=O)(=O)c2ccccc2)cc1 200009396 LCQBUMMTVSXTTG-HMMYKYKNSA-N 414.486 5.182 50 1 HKGF CC(C)(c1ccccc1)[C@]1(CBr)CC(=O)c2ccc3c(c2O1)CCCC3 587499379 MQWZMZSOXRUTGZ-HSZRJFAPSA-N 413.355 5.642 50 1 HKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1csc2ccccc12 587617598 KSSBOENCVOVVGT-OFNKIYASSA-N 422.889 5.703 50 1 HKGF BrCCCCCCCCCCN=c1c2c([nH]c3ccccc13)CCCC2 1857770314 MGIUTTSLVXRBDS-UHFFFAOYSA-N 417.435 6.463 50 1 HKGF O=C1CCC/C(=N\NC(=O)c2ccc(COc3ccccc3-c3ccccc3)cc2)C1 102331731 SJFDEILWVOQISS-HPNDGRJYSA-N 412.489 5.162 50 3 HKGF Fc1cccc(F)c1Cn1c(-c2c(F)cccc2F)nc2c(CCl)cccc21 13518690 PENUREVAVQXFHC-UHFFFAOYSA-N 404.794 6.047 50 1 HKGF O=C(O)C[C@@H]1CC[C@@H]([C@H]2CC[C@H](CCCCCC[C@H]3C=C/C=C/C=CC3)O2)OO1 195362648 DIHXQPVNIPQBLK-AKTIZUKDSA-N 404.547 5.517 50 1 HKGF CC(C)[C@](C)(O)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 586886773 GRJGERDOACEPDG-LBPRGKRZSA-N 409.218 5.846 50 1 HKGF O=C1C[C@@](CCl)(c2c(Cl)ccc(F)c2Cl)Oc2c1ccc1c2CCCC1 587508997 VIGAKYVRQZORJL-HXUWFJFHSA-N 413.703 6.111 50 1 HKGF CCc1ccc([C@]2([C@@H](C)Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587686298 CEHNVVRULQANMN-RDXCRGQUSA-N 410.758 5.556 50 1 HKGF S=C=Nc1ccc([C@]2(c3ccccc3)NCCc3cccc(-c4ccccc4)c32)cc1 962672211 XUMPYQSNNYJOST-NDEPHWFRSA-N 418.565 6.526 50 1 HKGF O=C1c2ccc(O)cc2O[C@@](CCCl)(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 587329024 BSRWQWSWXZXGHP-GGAORHGYSA-N 414.835 5.554 50 1 HKGF C[C@]1([C@@H](Cl)c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587338100 SWGXQKIGTZXJRU-PUHATCMVSA-N 414.835 5.768 50 1 HKGF Cc1ccc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1F 587509290 YHAYWUGUWCISTC-OAQYLSRUSA-N 403.291 5.269 50 1 HKGF Cc1c(F)ccc2c1[C@](CCl)([C@@H](C#N)c1nc(-c3cccs3)cs1)NCC2 962295433 DPTPWKCHBDXHDF-XOBRGWDASA-N 417.962 5.206 50 1 HKGF CC(/C=C/C=O)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@]12O[C@@]1(C)C[C@@H](O)CC2(C)C 146227348 QZOYIQGWDBXSHB-HSQKBHLFSA-N 408.582 5.958 50 1 HKGF CC[C@H](C)c1ccc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587687371 GHKAGVUFEPAMAF-QTCYRWPVSA-N 424.785 6.118 50 1 HKGF O=C(N/N=C/c1ccc(/C=C/C(=O)c2ccccc2Cl)cc1)c1cccc(Cl)c1 1772651497 UDLWHLIEQXLECQ-DUVNXGBBSA-N 423.299 5.653 50 1 HKGF O=C1[C@@H](Cl)[C@@H](c2cc(/N=N/c3ccc([N+](=O)[O-])cc3)ccc2O)N1c1ccccc1 28702213 JADTWJUHAGRTAB-DHDMKROQSA-N 422.828 5.411 50 1 HKGF CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(C=O)=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 40940065 OTROTVUTUCVHOR-RBDOFFOFSA-N 414.674 6.814 50 1 HKGF Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)NCCCCC[C@H]1CCSS1)O2 45351182 XMTOUSCPUZQYRA-JTSKRJEESA-N 423.644 5.231 50 1 HKGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)s1 587374428 KACKXNWLZDNTOD-RBBKRZOGSA-N 416.901 5.703 50 1 HKGF Cc1ccc(C)c([C@]2([C@@H](C)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587686694 DHYBAHHJECWGAY-JZKQVHKSSA-N 410.758 5.610 50 1 HKGF O=C(O)C[C@@H]1CC[C@@H]([C@H]2CC[C@H](CCCCCC[C@@H]3C=CC=CC=CC3)O2)OO1 102003568 DIHXQPVNIPQBLK-YSFPZDHXSA-N 404.547 5.517 50 1 HKGF Cc1[nH]c(C(=O)CCl)c(C)c1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 586994326 YEZQRRWCCVXQBE-UHFFFAOYSA-N 414.892 5.788 50 1 HKGF CC(C)(C)c1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587543860 LXQVJJUQNPSWKU-PXDATVDWSA-N 422.908 5.786 50 1 HKGF CC1=CC[C@H]2C(C)(C)[C@@H](Br)CC[C@]2(C)[C@@H]1Cc1cc(O)c(C=O)cc1O 95604975 YWIUEGBOJQCYTG-MOFCZTIZSA-N 421.375 5.625 50 1 HKGF C[C@@H]1C(=O)[C@H](C)[C@H](c2ccc(Cl)cc2)N(C(=O)CCl)[C@H]1c1ccc(Cl)cc1 299847955 WAYLNDLLDJXKOC-YGSBFXFZSA-N 424.755 5.698 50 1 HKGF O=C1c2ccc(O)cc2O[C@]2(c3ccccc3CC[C@@H]2Cl)[C@H]1c1ccc(F)cc1 587332620 SWCFEQKDPQQJEJ-FIXSFTCYSA-N 408.856 5.339 50 1 HKGF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(C#N)=COc2c(Cl)cc(Cl)cc21 587462547 PFJOGRJOKIRRIF-NRFANRHFSA-N 416.260 5.312 50 1 HKGF Cc1cc(C)c([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C 587687748 HQLCBAYGCVFZPO-JLTOFOAXSA-N 410.758 5.530 50 1 HKGF C=C(C)[C@H](CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)OO 2356337368 UEYFSWJEKNBMRD-ZPHLPICOSA-N 416.646 6.777 50 1 HKGF C[C@]1(CCCCCCCCC=CC=Cc2ccccc2)C[C@]2(C)OC(=O)C[C@H]2OO1 2356605540 KEKDEOVVWKTZKA-AFESJLNVSA-N 412.570 6.562 50 1 HKGF CC(C)N(CCOc1ccc(C(C#N)=C(c2ccccc2)c2ccccc2)cc1)C(C)C 13650253 VKHBQZGQYPUTBX-UHFFFAOYSA-N 424.588 6.667 50 1 HKGF C[C@@H](CCCC/C=C/CC/C=C\c1ccccc1)C[C@]1(C)C[C@@](C)(CC(=O)O)OO1 49867120 CRORVGKIBBBYNQ-WOIFUZJNSA-N 414.586 6.967 50 1 HKGF C[C@@H](Cl)C(=O)Nc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 587102089 PPWCCKKPLJIPSC-CQSZACIVSA-N 412.876 5.679 50 1 HKGF Cc1ccc([C@]2([C@@H](C)Br)c3c(F)cccc3C[C@@H]3CCCN32)cc1Cl 963097645 HDFQAEXNZKRQRJ-DAESXHAQSA-N 422.769 5.835 50 1 HKGF CCCCCCCCCCCCOc1ccc(/C=C/C2=[N+](CCCl)CCO2)cc1 73335528 UYXVGDBYYZUJKT-SAPNQHFASA-N 421.045 6.680 50 1 HKGF N#CC1=C(N)OC(c2ccc(Cl)cc2)=C[C@H]1c1c(-c2ccccc2)[nH]c2ccccc12 95602522 NLBWOJIMXMZULE-HXUWFJFHSA-N 423.903 6.337 50 1 HKGF C[C@@H]1C(=O)[C@H](C)[C@@H](c2ccc(Cl)cc2)N(C(=O)CCl)[C@@H]1c1ccc(Cl)cc1 103294587 WAYLNDLLDJXKOC-RNWGTBAESA-N 424.755 5.698 50 1 HKGF O=C(O)CSc1ncccc1-c1nc2cc(S(F)(F)(F)(F)F)ccc2[nH]1 586967789 FHONOHLCRBJZDT-UHFFFAOYSA-N 411.377 5.459 50 1 HKGF C=C[C@]1(C)C2=C3c4c([nH]c5cccc(c45)C(C)(C)[C@H]3C[C@H]1Cl)C(C)(C)C(C#N)=C2 95562196 HFHQOKOLRORURO-KGVVXCLESA-N 402.969 6.773 50 3 HKGF Cc1ccc(C)c([C@]2([C@H](C)Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587544552 OJFVSHIRCVEDEF-SWDVRCMSSA-N 408.881 5.493 50 1 HKGF Cc1cc(/C=C/C#N)cc(C)c1Nc1ccc(F)c(Nc2ccc(/C=C/C#N)cc2)n1 653727840 RWALHGWQLZBFFO-GGWOSOGESA-N 409.468 6.398 50 1 HKGF O=P(c1ccccc1)(c1ccccc1)[C@H]1CC=C(c2ccccc2)C2(CCCC2)C1 1622538 JAOHHUSNVAIBDV-SANMLTNESA-N 412.513 6.807 50 1 HKGF CCCNc1c(C(=O)O[C@@H](C)CC)cnc2c1cnn2C[C@H](Cl)c1ccccc1 13675569 JXEQVCFVYFMHLC-KXBFYZLASA-N 414.937 5.189 50 1 HKGF COc1cc2ccnc(Cc3ccc(N(CCCl)CCCl)cc3)c2cc1OC 29481017 NFJHJUWHBYGSRQ-UHFFFAOYSA-N 419.352 5.127 50 1 HKGF CCCCCCCC/C=C/CCCCCCCC(=O)NNC(=O)c1ccncc1 96940222 FEJGFCKVVDMZBM-MDZDMXLPSA-N 401.595 5.880 50 1 HKGF COc1ccc2c(c1)[C@@](CCl)(C(c1ccccc1)c1ccccc1)N(C(C)C)CC2 962092313 QGKRCJMCKZVODQ-MHZLTWQESA-N 419.996 6.228 50 1 HKGF CC(=CC=C(Cl)C(C)=CC=NOCc1c(F)c(F)c(F)c(F)c1F)CCl 2356737901 ZBPSZUWEVCJPAZ-UHFFFAOYSA-N 414.201 6.139 50 1 HKGF COC(=O)[C@H](C)[C@@H]1CC[C@](C)(CCC=C(C)CC[C@@]2(O)[C@@H](C)CCCC2(C)C)OO1 2356794586 LGYQILBHOGDNJU-XVFVLVJGSA-N 424.622 5.749 50 1 HKGF O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(/C=C/CBr)[nH]c12 586973165 FZDZAYCKAUPJLZ-GORDUTHDSA-N 424.220 5.242 50 1 HKGF FS(F)(F)(F)(F)c1ccc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1 587041637 OFIGLPQTLYJJBL-JKSUJKDBSA-N 421.460 6.167 50 1 HKGF CC(C)(C)c1ccc([C@]2(CCCCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587499507 UEKGFLREPBMISN-SANMLTNESA-N 410.985 6.743 50 1 HKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2cccc(Cl)c2)N1 587688639 MSDIUBRHBGWJNI-DYZYQPBXSA-N 403.122 5.258 50 1 HKGF CCCN1[C@@H](C)Cc2ccccc2[C@]1(C)c1oc2ccccc2c1NC(=O)CCl 963242981 QVAZIISAFPRCFL-UPCLLVRISA-N 410.945 5.530 50 1 HKGF Oc1nc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cs1 587018360 WRSORISDERFKLS-UHFFFAOYSA-N 422.198 5.812 50 1 HKGF COc1ccc(Cl)cc1C#Cc1c(CBr)cccc1C(F)(F)F 587913712 DGYAHWFTXLXTKT-UHFFFAOYSA-N 403.625 5.662 50 1 HKGF COC(=O)[C@H](C)[C@H]1CC[C@](C)(CCC=C(C)CCC=C(C)CCC=C(C)C)OO1 2356436414 LCYOYORSUQYOEM-OYRHQHFDSA-N 406.607 6.864 50 1 HKGF O=[N+]([O-])c1cc(Cl)cc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1F 587139429 JWQXQFVVICZDPD-UHFFFAOYSA-N 417.718 6.588 50 1 HKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1coc3ccccc13)CC2=O 587456088 KMDFXIZGUJFPGG-NRFANRHFSA-N 415.283 5.347 50 1 HKGF O=C1C[C@](CCl)(c2ccc(Br)cc2)Oc2c1ccc1c2CCCC1 587501477 IUFCAWBCTWZHOP-FQEVSTJZSA-N 405.719 5.427 50 1 HKGF COc1cccc2c3c(cnc12)CCN[C@]31CCCCCCCCCC[C@H]1Cl 963046873 LKOMWXXRJXSFGX-QPPBQGQZSA-N 400.994 6.106 50 1 HKGF N#CC(=Cc1ccc(Cl)cc1Cl)c1nc(-c2cccc3ccccc23)cs1 2356564549 SPKZTVQKMAFYSM-UHFFFAOYSA-N 407.325 7.334 50 1 HKGF CC(C)C1=CC[C@H]2C(=C1)CC[C@H]1[C@](C)(C(=O)Oc3ccc([N+](=O)[O-])cc3)CCC[C@]21C 139644817 XBFYDNRVELQHGC-BKJQLSFMSA-N 423.553 6.635 50 1 HKGF CC1=C(CC[C@](C)(O)/C=C/C[C@]2(C)CC[C@@H]([C@@H](C)C(=O)O)OO2)C(C)(C)CCC1 238776582 IOPIOUHRQRYDMU-WNUYXJTASA-N 408.579 5.581 50 1 HKGF N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587051995 ISTCJVXHOVKCHC-LLVKDONJSA-N 413.799 5.822 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(CC(C)C)cc1)([C@@H](C)Br)O2 587374182 OJJDZXPXWFRHGT-QRQCRPRQSA-N 416.359 5.420 50 1 HKGF CCCN1[C@H](C)Cc2ccccc2[C@@]1(CCCCl)c1cccc(Br)c1 963238173 HZCVNCRQDNJJHU-VGOFRKELSA-N 420.822 6.368 50 1 HKGF C=CCCC=CC=CCCCCCC[C@@H]1CC[C@H]([C@@H]2CC[C@@H](CC(=O)O)OO2)O1 2356490201 AAJUINQOJSADQB-ACESQOTJSA-N 406.563 5.907 50 1 HKGF C=C(CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3C(C=O)=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C)C(C)C 2356572367 ZGCGMYXRXTYHNJ-ODFJCHRISA-N 412.658 6.734 50 1 HKGF Cc1nccc2[nH]c(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)nc12 587056277 OMBCOPVHWGANEC-YBEGLDIGSA-N 422.319 6.045 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1cc(C)n(Cc3ccco3)c1C)([C@H](C)Cl)O2 587373796 SVGGJTJOYGCYKR-QMHKHESXSA-N 412.917 5.125 50 1 HKGF C=C1C(CCl)(CCl)[C@@]2(Cl)[C@H](Cl)[C@H](Cl)[C@@]1(Cl)C2(Cl)Cl 100404804 OEJNXTAZZBRGDN-LWIVVEGESA-N 411.798 5.378 50 1 HKGF in-vitro CCCCCCCCCCCCCCC[C@@H](I)CC(=O)O 102184668 DJFRHANNURBCFM-QGZVFWFLSA-N 410.380 6.746 50 1 HKGF CC(C)CCOc1cc2nc(/C=C/CBr)[nH]c2cc1Br 586972591 XJOJSJXBQUPAJZ-ONEGZZNKSA-N 402.130 5.158 50 1 HKGF O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc([C@@H](Cl)CCl)[nH]c12 587007512 DQJMGQFITARETJ-LBPRGKRZSA-N 402.203 5.353 50 1 HKGF COCCCn1c(C)cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587495958 BAOLZJSSKFHAAM-XMMPIXPASA-N 415.961 5.120 50 1 HKGF C[C@@H](Cl)[C@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587503433 OCRJBNFWHCCICZ-ASSNKEHSSA-N 419.746 5.816 50 1 HKGF Cc1cc(C)c(C)c([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587687438 GTTUYQSULBAXGY-ZSEKCTLFSA-N 424.785 5.838 50 1 HKGF COC(=O)[C@H](C)[C@H]1CC[C@](C)(CCC=C(C)CCC2=C(C)CCCC2(C)C)OO1 2356455866 KGRANTXTMXDAIF-LFAGZIFBSA-N 406.607 6.698 50 1 HKGF COC(C)(C)[C@H](Br)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 586971132 MQFHFMNDCPKYLZ-SNVBAGLBSA-N 409.218 6.081 50 1 HKGF CCCCCc1cc2c(c(O)c1COO)[C@@H]1C=C(COC(C)=O)CC[C@@H]1C(C)(C)O2 2356804430 IOTSKNJKGNLLKB-QUCCMNQESA-N 418.530 5.269 50 1 HKGF CCCc1ccc(NCc2ccc(C3OOC(c4ccc(C)cc4)OO3)cc2)cc1 72174912 NCYKBQWPKCYOLK-UHFFFAOYSA-N 405.494 6.167 50 1 HKGF O=C(N/N=C/c1c(Cl)cccc1Cl)c1coc2c(Cl)cc(Cl)cc12 73314229 DLHJQTHZDBBROT-AERZKKPOSA-N 402.064 5.810 50 1 HKGF CCCCC/C=C/C(=O)[C@@H]1CSSC[C@@H]2CCC[C@@H]2Oc2cc(ccc2O)C1 85630047 XPHGCDJULMAVTL-BMGWMWGDSA-N 420.640 6.199 50 1 HKGF biogenic,in-vitro CC(C)c1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587327662 QPIRBHDRHYTDFX-ILBGXUMGSA-N 424.899 6.148 50 1 HKGF Cc1cc(C)c2c(NC(=O)CCl)c(-c3cc4c5c(cccc5n3)CC4)sc2n1 587358783 FQOGTRXIAAOKFN-UHFFFAOYSA-N 407.926 5.404 50 1 HKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCCl)c1ccc(Cl)cc1 587546713 XIOHALIMKRQEGF-UGKGYDQZSA-N 415.272 5.532 50 1 HKGF CSc1ccc(-c2ccc(C(=O)NNC(=O)c3ccc(C(C)(C)C)cc3)o2)cc1 1857770301 JQUVQPYFPWJHGK-UHFFFAOYSA-N 408.523 5.041 50 1 HKGF C=C1CCCC(C)(C)[C@]1(O)CCC(C)=CCC[C@]1(C)CC[C@@H]([C@H](C)C(=O)OC)OO1 2356531197 RZBOFZRCMWQHOO-MHOPESGUSA-N 422.606 5.669 50 1 HKGF Cc1cc2cc3c(Cl)c(CCCl)c(C)nc3cc2c(Cl)c1CCCl 1857554 FXYGOSMCNPRVBV-UHFFFAOYSA-N 401.164 6.874 50 1 HKGF CCCCCCCCCCCCCCCCCCO[C@@]1(C)NC(=O)C(C#N)=C1C 43366208 CNUXXTGNBYYPRB-RUZDIDTESA-N 404.639 6.951 50 1 HKGF C[C@H](CCCCCCCCc1ccccc1)C[C@]1(C)C[C@]2(C)OC(=O)C[C@@H]2OO1 44361400 OWAXZSHAFBBOBX-OAUWFCSDSA-N 402.575 6.171 50 1 HKGF biogenic CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](OO)C4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 169621254 ZBPNFHYFNDMGAR-MEAJOKFQSA-N 418.662 6.857 50 1 HKGF COC(=O)c1ccc(Nc2nc(Nc3c(C)cc(/C=C/C#N)cc3C)ccc2F)cc1 653740630 HTQSSYQYFDNIGD-SNAWJCMRSA-N 416.456 5.648 50 1 HKGF Cc1cc(C)c2c(c1)OC=C(C=O)[C@@]21c2ccccc2CCN1[C@@H](C#N)c1ccccc1 963199774 DCZHVQRDFZGLJE-LBNVMWSVSA-N 420.512 5.145 50 1 HKGF CC(C)[C@@H](C)C=CC[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]23C=C[C@@]2(C[C@@H](O)CC[C@]12C)OO3 2356490330 DXBFOXLIWFGNBY-ANASRUAZSA-N 414.630 6.228 50 1 HKGF ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@H](Cl)[C@@]4(Cl)O[C@H]34)[C@@]1(Cl)C2(Cl)Cl 101159062 VWGNQYSIWFHEQU-ZSKFTLPPSA-N 423.765 5.019 50 1 HKGF in-man Cc1ccc(NC2(c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)CCCC2)cc1 587237231 NCZJBUVQXUEUDU-UHFFFAOYSA-N 417.447 7.410 50 1 HKGF Cc1cc(C)c([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1C 587541679 CWUKQAVBSLSXTR-RDGATRHJSA-N 422.908 5.722 50 1 HKGF Cc1cc2nc(-c3ccc(C(=O)N/N=C/c4ccc(Cl)cc4)cc3)[nH]c2cc1C 1857586103 YPUGXDHKMLZCHZ-DHRITJCHSA-N 402.885 5.264 50 1 HKGF CC(=O)OCCCCCCCCCCCCCCCCCC1=C(C)C(=O)OC1=O 85857941 UHDURIHULQVMTG-UHFFFAOYSA-N 408.579 6.191 50 1 HKGF CCCSSN(C(=O)c1ccccc1)N(C(=O)c1ccccc1)C(C)(C)C 103219591 WRDYHVHCNBHKCO-UHFFFAOYSA-N 402.585 5.691 50 1 HKGF N#C/C(=C\c1ccccc1)c1nc2c(Br)ccc(Br)c2[nH]1 587189107 ZYGVJHXKYZIFEF-DHZHZOJOSA-N 403.077 5.152 50 1 HKGF CCCc1c(O)ccc2c1O[C@H](c1ccc(N(CCCl)CCCl)cc1)CC2=O 587461727 SNBRIWILZIRCNB-NRFANRHFSA-N 422.352 5.335 50 1 HKGF COc1ccc(Cl)cc1C#Cc1ccc(-c2noc(C(C)(C)CCl)n2)cc1 587906761 ROACBBVRLAFFKP-UHFFFAOYSA-N 401.293 5.315 50 1 HKGF O=C(O)/C=C/C=C\c1nc2c(Br)cc(S(F)(F)(F)(F)F)cc2[nH]1 587968197 LRJPMWSVLKKDSX-HSFFGMMNSA-N 419.169 5.637 50 1 HKGF CC(C=CC=O)=CC=CC=C(C)C=CC=C(C)C(=O)C[C@]12O[C@]1(C)C[C@H](O)CC2(C)C 2356568215 HQQUWEPSOVTLND-XSBVVTFOSA-N 424.581 5.361 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCCBr)(c1ccc(Cl)cc1)O2 587375469 SRKXYIQHAIIOQZ-LJQANCHMSA-N 408.723 5.266 50 1 HKGF CCCc1c(O)ccc2c1O[C@@](CBr)(C1(c3ccccc3)CC1)CC2=O 587456519 PYLMAYVEWCMAKE-QFIPXVFZSA-N 415.327 5.175 50 1 HKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)([C@@H](C)Cl)N1 587688340 LLAXCDIHKYBBMD-YRUZYCQGSA-N 417.149 5.647 50 1 HKGF C=CCN=c1cc(Oc2c(C)cc(/C=C/C#N)cc2C)cc(Nc2ccc(C#N)cc2)[nH]1 1857755925 NHBZBIVTYRITRU-AATRIKPKSA-N 421.504 5.663 50 1 HKGF C=CC[C@H](C[C@H](C[C@@H](C[C@H](OC)C(=C)C=C(C)CC=C(C)C#N)OC)OC)OC 2356794713 IBWHSOUJBPQKSP-LWSSLDFYSA-N 405.579 5.155 50 1 HKGF C=C(CC[C@H](O)c1ccc(Cl)cc1)[C@@H]1COC2(OO1)C1CC3CC(C1)CC2C3 14176232 GLPSNSCSGRSQHK-MUXQYIQKSA-N 404.934 5.209 50 1 HKGF COc1ccc(OC)c(/C(C)=N/NC(=O)Nc2ccccc2Oc2ccccc2)c1 103283279 LCSHKEGMNRHIFL-PCLIKHOPSA-N 405.454 5.042 50 1 HKGF CC(C)c1cc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c(O)c(C(C)C)c1 586896004 GADZQZBICYPNSK-UHFFFAOYSA-N 420.447 7.840 50 1 HKGF Cn1cc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587496849 ABJFRODUIYBBRE-HSZRJFAPSA-N 424.338 5.313 50 1 HKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12[C@@H](Cl)CCCCC[C@H]2Cl 587547080 LEBZXDRJSVLXFB-NYUBLWNDSA-N 407.293 5.272 50 1 HKGF BrCc1[nH]c2c(c(Br)cc3n[nH]cc32)c1CC1CCCC1 587621576 XSZUZRKQINQYGH-UHFFFAOYSA-N 411.141 5.434 50 1 HKGF Cc1cc2c(cc1F)[C@](CCCCCCl)(c1cccc(C(F)(F)F)c1)NCC2 962297142 ILQGNAGTZAVFBJ-NRFANRHFSA-N 413.886 6.341 50 1 HKGF Oc1ccc(OOc2cccc3sc4ccccc4c23)c2c1sc1ccccc12 238731826 DNSJHKUWHCVYAN-UHFFFAOYSA-N 414.507 7.501 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(CC(C)C)cc1)O2 587373095 LCVZAFXFXZBDKZ-NRFANRHFSA-N 402.332 5.031 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@@H](Br)c1ccccc1)O2 587374269 OVFLLDWLXGRVRM-GOTSBHOMSA-N 422.322 5.574 50 1 HKGF C[C@H](Cl)[C@@]1(c2c[nH]c3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587546887 YQHOUJQADXKYDY-DRPSWDKDSA-N 419.864 5.358 50 1 HKGF Cc1ccc([C@@]2(CCl)NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)cc1C 962959231 SJWMIJYSTKZHJD-JOCHJYFZSA-N 423.906 5.456 50 1 HKGF Cc1ccccc1[C@@]1(CCCCl)c2ccccc2CCN1[C@H](C#N)c1ccccc1 963201982 HDCFWWROCUSWCG-SXOMAYOGSA-N 414.980 6.381 50 1 HKGF CCCN1[C@H](C)Cc2ccccc2[C@@]1(c1c[nH]c2ccccc12)[C@@H](C)Br 963234716 VKYDNKGQTQYDDQ-SEPYTNNBSA-N 411.387 5.852 50 1 HKGF CC[C@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2[C@@]34C=C[C@@]5(C[C@H](O)CC[C@@]5(C)C3=CC[C@@]12C)OO4 2356391426 QRMRXDOWNSSATH-PUPOFOAZSA-N 412.614 6.148 50 1 HKGF C=C1CC[C@@H](Br)C(C)(C)[C@@H]1Cc1cc(O)c(Br)cc1O 1612858 OVQUXMIHRFSOJM-IAQYHMDHSA-N 404.142 5.159 50 1 HKGF biogenic O=C(O)C[C@@H]1CC[C@@H]([C@@H]2CC[C@@H](CCCCCC[C@@H]3C=CC=CC=CC3)O2)OO1 102001372 DIHXQPVNIPQBLK-VROINQGHSA-N 404.547 5.517 50 1 HKGF Cc1ccc([C@H]2[C@@H]3CCCCC=C3C(C#N)=C(N)C23C(=O)c2ccccc2C3=O)cc1 169348505 XXPJEWHDMOLTBC-XXBNENTESA-N 408.501 5.011 50 1 HKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cn(CCC#N)c3ccccc13)CC2=O 587460425 MPPGOMCSNIKJHT-DEOSSOPVSA-N 422.912 5.313 50 1 HKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc(C3CCCCC3)cc1)CC2=O 587461969 VOOWIBJHLUZUQH-RUZDIDTESA-N 412.957 6.492 50 1 HKGF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C=C[C@]4(OO)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 85478946 CUIXDAUTEMBARD-JLLCDCETSA-N 418.662 6.857 50 1 HKGF COCCCCCCCCOCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C 202063739 HBEMYXWYRXKRQI-UHFFFAOYSA-N 422.831 6.155 50 1 HKGF COc1cc2c3c(c1)O[C@](c1ccc(C(C)C)cc1)([C@H](C)Br)[C@@H](C2)C3=O 587413251 GAYPQMCLFJNVQA-VNMLXUOPSA-N 415.327 5.245 50 1 HKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)s1 587846612 VAHVHVUDZRNGFF-XYZCENFISA-N 402.760 5.283 50 1 HKGF CC(C)[C@@H]1CCC(=O)C[C@H]1CCCC[C@@H]1CC(=O)C[C@@H]1O[Si](C)(C)C(C)(C)C 195503598 YFMIIKKOFCPZSV-VKGYTVAMSA-N 408.699 6.558 50 1 HKGF CCc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 587377321 RKADRFMVGUYLNO-IRLDBZIGSA-N 416.901 5.648 50 1 HKGF Cc1ccc(C)c([C@]2([C@H](C)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587689878 XNQVQLUYOGORHR-CKNLXJGOSA-N 410.758 5.610 50 1 HKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCCCl)(c2ccc(F)cc2)N1 587735139 WKXWZMKNHBSYCO-BLVKFPJESA-N 414.721 5.524 50 1 HKGF CC(C=CC=O)=CC=CC=C(C)C=CC=C(C)C(=O)C[C@]12O[C@]1(C)C[C@@H](O)CC2(C)C 2356568213 HQQUWEPSOVTLND-HUROMRQRSA-N 424.581 5.361 50 1 HKGF N#CC(=Cc1ccccc1OCc1ccc(Cl)cc1Cl)c1nc2ccccc2[nH]1 1857621653 MANRUTXTPFCDCL-UHFFFAOYSA-N 420.299 6.513 50 1 HKGF COC(=O)C[C@@H]1CC[C@@](CCCC#CC=CCCCCCCCC(C)=O)(OC)OO1 2356842575 MVVBVWGLTALOPD-UPVQGACJSA-N 422.562 5.052 50 1 HKGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc(F)cc2F)[C@H]1c1ccc(F)cc1 587333346 NJSNHDCHFGKGQM-UNMCSNQZSA-N 418.798 5.303 50 1 HKGF CCCc1c(O)ccc2c1O[C@](C)([C@@H](Br)Cc1ccccc1F)CC2=O 587466340 KHUVGHXCYMTJLQ-FPOVZHCZSA-N 421.306 5.214 50 1 HKGF C[C@@H](Br)[C@@]1(c2cccc(Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587499825 PLIFDIPFWIOHJZ-LRTDBIEQSA-N 419.746 5.863 50 1 HKGF ClC1=C(Cl)[C@]2(Cl)[C@@H]3C[C@H](Cl)[C@@H](Cl)[C@H]3[C@]1(Cl)C2(Cl)Cl 100404690 BIWJNBZANLAXMG-CFOFFSDRSA-N 409.782 5.683 50 1 HKGF Cc1ccc2c3c(cc([C@@H](Cl)C(=O)Nc4ccccc4)nc13)-c1ccccc1C2=O 586993347 KPLWVQDTCRROQW-JOCHJYFZSA-N 412.876 5.673 50 1 HKGF FS(F)(F)(F)(F)c1ccc2nc(/C=C\c3cccc(Cl)c3Cl)[nH]c2c1 587054166 MBIHPPBHASOHOX-DAXSKMNVSA-N 415.214 7.698 50 1 HKGF CCCc1c(O)ccc2c1O[C@@](C)([C@@H](Br)Cc1ccccc1F)CC2=O 587466342 KHUVGHXCYMTJLQ-PZJWPPBQSA-N 421.306 5.214 50 1 HKGF C[C@@]1(c2ccccc2OCCBr)CC(=O)c2ccc3c(c2O1)CCCC3 587500917 VJWFSGHKPFKISI-QFIPXVFZSA-N 415.327 5.220 50 1 HKGF COc1ccc([C@@]2(CCCCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587546905 YVAQQQUYNODCAD-XUZZJYLKSA-N 424.880 5.277 50 1 HKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)C1CCC(F)(F)CC1 587554125 HHJXICAWQQJDIT-UWJYYQICSA-N 408.828 5.157 50 1 HKGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(F)cc1F 587556310 JJCXDXRKESWQJK-DENIHFKCSA-N 416.807 5.075 50 1 HKGF CC(C)C(/C=C/c1ccccc1)=N\NC(=O)N/N=C(/C=C/c1ccccc1)C(C)C 16958261 JXISIGLCWYMVKD-LNTNDECRSA-N 402.542 5.736 50 1 HKGF N#C[C@@H](/C=N/c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1)C(=O)CCl 169690437 AMPZSGQOUICLFU-IPAXERSESA-N 416.186 5.196 50 1 HKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(F)cc1F 587715061 GWGPSLVQQPGDFW-MLCYQJTMSA-N 418.684 5.191 50 1 HKGF C=C1[C@H](O)C[C@@H](Br)C(C)(C)[C@]12CC[C@](C)(Cl)[C@@H](Br)C2 140111473 ZLPHPQMHLUYFBP-MUGBGTHKSA-N 414.609 5.028 50 1 HKGF CC(C)=CCCC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C=O 2356553346 XDVAYNOICRRSLG-UHFFFAOYSA-N 416.649 8.888 50 1 HKGF C[C@]1(c2ccc(N=C=S)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587370653 AKAJPCCMKSDJQY-FYYLOGMGSA-N 405.450 5.540 50 1 HKGF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1-c1c(C(=O)Cl)cccc12 587497840 MRSPAIFDEOGNTM-SANMLTNESA-N 414.888 5.834 50 1 HKGF Fc1cccc2c1[C@](CBr)(c1csc3ccccc13)N1CCC[C@H]1C2 963095196 CMFXLGRPEYCDON-BTYIYWSLSA-N 416.359 5.699 50 1 HKGF O=C(NNCCCN1c2ccccc2Sc2ccc(Cl)cc21)c1ccccc1 1857755578 GLPHFQCYTZQMDG-UHFFFAOYSA-N 409.942 5.267 50 1 HKGF Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CNC(=O)CCCC[C@@H]1CCSS1)O2 45386028 BDRIOSNEDHVQNW-VGSWGCGISA-N 423.644 5.231 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(-c3ccccc3)cc1)O2 587375865 VRUYTIDINPHUNU-HSZRJFAPSA-N 422.322 5.500 50 1 HKGF O=C1C[C@@](CBr)(c2coc3ccccc23)Oc2c1ccc1c2CCCC1 587498908 JZCAXFIMHSNKFQ-JOCHJYFZSA-N 411.295 5.567 50 1 HKGF COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OCCCCl 587499969 WYOZEEKVBJACGK-OAQYLSRUSA-N 400.902 5.288 50 1 HKGF COc1ccc([C@]2(CCCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587684788 MNZUUDHKSNLOAT-BLVKFPJESA-N 412.730 5.004 50 1 HKGF C#CC=CC[C@@H]1O[C@H](CC=C(Br)CC)[C@@H](Br)C[C@@H]1Cl 2356455963 NZHWXNQBZKBACG-XQLPTFJDSA-N 410.577 5.173 50 1 HKGF Fc1ccc([C@@H](Cl)Cn2ncc3c(Nc4cccc(Cl)c4)ncnc32)cc1 96272523 WRKPMADIDJPSLM-KRWDZBQOSA-N 402.260 5.343 50 1 HKGF C[C@H](Cl)[C@@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587335018 NLRYWNBDJUTHAJ-PWJBXEHMSA-N 414.835 5.552 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@H](Br)c1ccccc1)O2 587374270 OVFLLDWLXGRVRM-PKTZIBPZSA-N 422.322 5.574 50 1 HKGF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H]2CC[C@@]1(CBr)C2(C)C 587455836 GUWZYDIYNOUOQY-PZVFOTJXSA-N 407.348 5.270 50 1 HKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)c(F)c2)([C@@H](C)Cl)N1 587724736 LUEFJMGNYZQZSB-MHNGPXOMSA-N 418.684 5.272 50 1 HKGF CC[C@@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]23C=C[C@@]2(C[C@@H](O)CC[C@]12C)OO3 2356684460 RMCNEIUNJZPGIG-QOAFWKSUSA-N 414.630 6.228 50 1 HKGF COC(=O)[C@H](C)[C@@H]1CC[C@](C)(CCC=C(C)CC[C@]2(C)[C@H](C)CCC[C@@]2(C)O)OO1 2356849920 PYRDXCUKHATXIK-GCZFGYHLSA-N 424.622 5.749 50 1 HKGF N#CC1=C(c2ccccc2)C[C@H](c2ccc(Cl)cc2)[C@H](C(=O)c2ccccc2)C1=O 102957244 JBRASADWXDKCLJ-ISKFKSNPSA-N 411.888 5.873 50 1 HKGF Cc1cc(C)c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1CCl 587687313 ZWNIJKAJDVVOMW-ASSNKEHSSA-N 424.785 6.050 50 1 HKGF C=C(C=O)CC(=O)CC(C)=CCCC(C)=CCCC(C=COC(C)=O)=COC(C)=O 2356576384 YUQNPKXGOPEQOH-UHFFFAOYSA-N 416.514 5.068 50 1 HKGF CCCCC[C@H](Cl)[C@H](Cl)C[C@H](Cl)[C@H](Cl)CCCCCCCC(=O)O 100290579 FRSRMUYUIAXUAX-HZMVEIRTSA-N 422.264 7.202 50 1 HKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(C(Cl)Cl)N1 587688351 LSJWNEMNQWHYQZ-BTDLBPIBSA-N 403.122 5.170 50 1 HKGF Cc1cc(F)c([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1F 587722899 UDDJNQWGQUWKFQ-YPMLDQLKSA-N 418.684 5.191 50 1 HKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2F)([C@@H](C)Cl)N1 587724461 IDHIMQXXXDSCLA-CLFVBBPSSA-N 418.684 5.272 50 1 HKGF Cn1cc([C@@]2(CBr)NCCc3c(Cl)cc(Cl)cc32)c2ccccc21 963102776 FPOHWDFKESQQNS-IBGZPJMESA-N 424.169 5.269 50 1 HKGF CCCN1[C@H](C)Cc2ccccc2[C@]1(CCCCCCl)c1cccc([N+](=O)[O-])c1 963225803 GERIWFQMGFVSTM-DVECYGJZSA-N 414.977 6.294 50 1 HKGF C=C1C[C@H](O)[C@H](Br)C(C)(C)[C@]12CC[C@@](C)(Cl)[C@H](Br)C2 5963941 KKDUTGUFMQDATD-OEMOEHNSSA-N 414.609 5.028 50 1 HKGF biogenic CN(C)P(=O)(Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1)N(C)C 43409544 AVUALUMZVDLCNH-UHFFFAOYSA-N 419.469 5.775 50 1 HKGF O=C(NN=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 68582137 XMDMPFOQNZYWFI-UHFFFAOYSA-N 414.248 5.084 50 1 HKGF biogenic C/C1=C/[C@H](OC(=O)NCCCl)C[C@@](C)(O)/C=C\[C@H](C(C)C)CC/C(C)=C/CC1 169364578 ASERFLMHCJBCPH-GGORQSNASA-N 412.014 5.756 50 1 HKGF O=C(O)C[C@@H]1CC[C@@H]([C@@H]2CC[C@@H](CCCCCC[C@H]3C=CC=C/C=C/C3)O2)OO1 195359677 DIHXQPVNIPQBLK-OXRMIMCBSA-N 404.547 5.517 50 1 HKGF C=C[C@@](C)(O)CC[C@@H]1C(=C)CC[C@H](Br)[C@@]1(C)CC[C@@H](O)C(C)(C)Cl 473121199 GFQPXXIINCHFHC-DSJDWBEOSA-N 421.847 5.598 50 1 HKGF Cc1cc(/C=C/C#N)cc(C)c1Oc1cc(Cl)nc(Nc2ccc(C#N)cc2)n1 1857642094 YDFFSHCXESSOAN-ONEGZZNKSA-N 401.857 5.691 50 1 HKGF N#C/C(C(=O)Nc1ccc(C(F)(F)F)cc1)=C(/O)c1ccc(Cl)c(Cl)c1 59034379 TUEBOAKZJFSOON-QINSGFPZSA-N 401.171 5.444 50 1 HKGF ClC1=C(Cl)[C@@]2(Cl)[C@H]3[C@@H]([C@H](Cl)[C@@]4(Cl)O[C@H]34)[C@@]1(Cl)C2(Cl)Cl 101159056 VWGNQYSIWFHEQU-UFJOEZEMSA-N 423.765 5.019 50 1 HKGF in-man C=C1CCCC(C)(C)[C@@H]1CC[C@@H](C)CCC[C@]1(C)CC[C@@H]([C@@H](C)C(=O)OC)OO1 238775678 QBFWTWXSXJFPRL-QYAASCMMSA-N 408.623 6.634 50 1 HKGF N[C@H](CCl)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587012710 YJYVRQQTWHZOBW-ZCFIWIBFSA-N 400.598 5.221 50 1 HKGF N#CSC[C@@]1(c2ccccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587331677 JPVUTZATQUODKZ-GMAHTHKFSA-N 423.440 5.139 50 1 HKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(C)cc1C)CC2=O 587456034 IZMAQZWWUNOQNH-NRFANRHFSA-N 403.316 5.217 50 1 HKGF C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)[C@@H](Cl)CCCCC[C@@H]2Cl 587702478 DLHIFVGEPZHUDN-SWHYSGLUSA-N 409.170 5.497 50 1 HKGF C=C(CCC[C@@]1(C)CC[C@H]([C@H](C)C(=O)OC)OO1)CC[C@@]1(O)C(=C)CCCC1(C)C 42875459 XFDMAFNMQSQGGI-PEARBKPGSA-N 422.606 5.669 50 1 HKGF C[C@]1(CCCCCCCCCCc2ccc(O)cc2)C[C@@]2(C)OC(=O)C[C@H]2OO1 96086023 HTLXDQKFQAWFHV-YFNKSVMNSA-N 404.547 5.630 50 1 HKGF in-vitro Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(C)c1F 587722333 YCSWKSSGFSCWNH-BUXKBTBVSA-N 414.721 5.361 50 1 HKGF CCO/C(C)=C(/C#N)c1nc(-c2cc(C)n(-c3cccc(SC)c3)c2C)cs1 587924382 VQMSFNPGCAOCDD-SILNSSARSA-N 409.580 6.231 50 1 HKGF COc1ccccc1[C@]1(CBr)c2ccsc2CCN1Cc1ccco1 962714114 YNWVTIDFZFDSDP-HXUWFJFHSA-N 418.356 5.047 50 1 HKGF C[C@H](CCCCCCCCc1ccccc1)C[C@]1(C)C[C@@H](C)[C@@H](CC(=O)O)OO1 2356703840 WWELFMUZLGDSGQ-AFFJLAOCSA-N 404.591 6.576 50 1 HKGF CCOc1ccc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587686994 YJPRURNFALKBHW-BUXKBTBVSA-N 412.730 5.004 50 1 HKGF COc1ccc2c(c1)[C@](CCCCCCl)(c1ccc(Cl)nc1)N[C@H]1CC[C@@H]21 962998904 WXLBTHBDEPAMAZ-VCOUNFBDSA-N 405.369 5.636 50 1 HKGF COc1ccc([C@@H]2CC3=NC(C)=C(C#N)[C@@H](c4ccc(N(C)C)cc4)C3=C(O)C2)cc1 19761104 AEKCTCJZGUGATJ-KBMIEXCESA-N 413.521 5.487 50 1 HKGF CC1=C(C#N)[C@@H](c2ccc(N(C)C)cc2)C2=C(O)C[C@@H](c3ccc(Cl)cc3)CC2=N1 103523706 ZSMIGQDWFQMXAP-MHECFPHRSA-N 417.940 6.131 50 1 HKGF CC(C)Sc1nc(Nc2ccccc2)c2cnn(C[C@@H](Cl)c3ccccc3)c2n1 299870924 XFBXMVBTESXVPH-LJQANCHMSA-N 423.973 6.051 50 1 HKGF Cc1c(C)c2c(c(CNC(=O)CCCC[C@H]3CCSS3)c1O)CCC(C)(C)O2 45340311 PRQINMIPNNMLCV-INIZCTEOSA-N 423.644 5.443 50 1 HKGF N#C/C(C(=O)Nc1ccc(Cl)c(Cl)c1)=C(/O)c1ccc(Cl)c(Cl)c1 100879820 TVHKDUWCYKNOTP-GDNBJRDFSA-N 402.064 5.732 50 1 HKGF Cc1cc(Br)c2[nH]c([C@H](C)c3ccc(CBr)cc3)nc2c1 586973613 MIINRCXZXSQJHF-LLVKDONJSA-N 408.137 5.681 50 1 HKGF Cc1ccc([C@]2([C@H](C)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C 587689235 RBPRLDANZBDYPL-CKNLXJGOSA-N 410.758 5.610 50 1 HKGF C=C1C[C@@](C)(CCCCCCCCC=CC=Cc2ccccc2)OO[C@H]1CC(C)=O 2356838713 MCJQHCMNEVLPRM-RRPNLBNLSA-N 410.598 7.391 50 1 HKGF CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]13C(=O)[C@@H]4[C@@H](C[C@H]21)[C@]4(C)[C@H]3I 101082801 CCHKZAQBAZDQQK-LFXNOENSSA-N 412.355 5.258 50 1 HKGF O=C1C[C@@](c2ccccc2)([C@H](Cl)c2ccccc2)Oc2c1ccc1c2CCCC1 587500233 ZICWHHFSGBJNPI-CLJLJLNGSA-N 402.921 6.406 50 1 HKGF CO[C@@H](C)COC1CCC(c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)CC1 587950240 AHMYRWFDKGGDTJ-HIFPTAJRSA-N 414.440 6.298 50 1 HKGF ClCCCC[C@@]1(c2ccnc(Cl)c2)c2ccsc2CCN1Cc1ccco1 962707837 OTMVZOCMTQEKCU-OAQYLSRUSA-N 421.393 6.101 50 1 HKGF CC(=O)O[C@@H]1CC(C)(C)C(=C=CC(C)=CC=CC(C)=CC=CC=C(C)C=O)[C@](C)(O)C1 2356752837 VUTCKOBMFJDHLW-RUMLDCFXSA-N 424.581 5.721 50 1 HKGF N#CC(=C(/N)Sc1ccc(Cl)cc1)/C(C#N)=C(\N)Sc1ccc(Cl)cc1 34802610 IXQLUCHVXKQDHE-YTEMWHBBSA-N 419.362 5.266 50 1 HKGF C=C1CCCC(C)(C)[C@@H]1CC[C@H](C)CCC[C@@]1(C)CC[C@H]([C@H](C)C(=O)OC)OO1 44053498 QBFWTWXSXJFPRL-KIVVCQIMSA-N 408.623 6.634 50 1 HKGF Cc1ccc(/C=C(\C#N)c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)cc1 587188112 NWZCWXSSGIOSQI-LZYBPNLTSA-N 410.315 5.733 50 1 HKGF COC(=O)C(C)(C)c1ccc(-c2[nH]c3cc(Cl)c(F)cc3c2CCCl)cc1 587628101 IFOCDPYYWHXGGK-UHFFFAOYSA-N 408.300 5.859 50 1 HKGF CCCc1ccc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587682588 DCEXRSWUODDJDI-XCLFUZPHSA-N 410.758 5.557 50 1 HKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(F)cc1F 587713701 CVSKHTAXRUPKSJ-MGNBDDOMSA-N 418.684 5.191 50 1 HKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(C2CCC(F)(F)CC2)N1 587719334 LDRYXLZIQGLYHP-BMLIUANNSA-N 410.705 5.382 50 1 HKGF C[C@@H]1CC/C(=C\c2ccc(Cl)cc2)[C@@H]2OC(N)=C(C#N)C(c3ccc(Cl)cc3)=C21 5844786 FHIISUZUVFBAAZ-NJGTYAIQSA-N 423.343 6.353 50 1 HKGF CC1(C)[C@@H](Br)CC[C@]2(C)[C@@H]3Cc4cc(O)c(C=O)cc4O[C@]3(C)CC[C@@H]12 95601890 PBUKDCFXXHVVDP-YOWRRBNZSA-N 421.375 5.514 50 1 HKGF CC1=C(C#N)[C@@H](c2cccc(Cl)c2Cl)C2=C(O)C[C@H](c3ccccc3)CC2=N1 103521216 SUJYBCZXBKDUPQ-QVKFZJNVSA-N 409.316 6.719 50 1 HKGF Cc1cc(C)c(C)c([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587687433 GTTUYQSULBAXGY-ASSNKEHSSA-N 424.785 5.838 50 1 HKGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](c2ccccc2)([C@@H](Cl)c2ccccc2)N1 962960341 WQJGSBJNTJNMOO-PSUQPPDWSA-N 400.953 6.316 50 1 HKGF C[C@]1(CCCCCCCCCCC=Cc2ccccc2)C[C@]2(C)OC(=O)C[C@@H]2OO1 2356398311 PVHBSURZEKXSCP-RNXOBYDBSA-N 414.586 6.786 50 1 HKGF [C-]#[N+]/C(C)=C/C=C(C)/C=C(\C)[C@H](C[C@H](C[C@H](C[C@H](CC=C)OC)OC)OC)OC 85598417 DXDWWQYVFWGLPI-MRHINEGBSA-N 405.579 5.508 50 1 HKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCCl)(c2ccc(F)cc2F)N1 587724313 GUHXIKZDKIEDDB-MLCYQJTMSA-N 418.684 5.273 50 1 HKGF CCC[C@H](c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)C(C)C 587955103 KIPUSEHLYFOXTN-JTQLQIEISA-N 421.273 7.523 50 1 HKGF N#C/C(=C\c1cc(Br)cc(Br)c1)c1ccc2c(c1)OCO2 653715538 ZTRZYRYQWNHXEJ-KGVSQERTSA-N 407.061 5.004 50 1 HKGF N#CC(=C(/N)Sc1cccc(Cl)c1)/C(C#N)=C(\N)Sc1cccc(Cl)c1 34802601 SPTKPFCEPMKMJQ-YTEMWHBBSA-N 419.362 5.266 50 1 HKGF N#CC1=C(/N=C/NCc2ccccc2)Oc2ccc3ccccc3c2[C@H]1c1ccccc1 36379094 HQCQQBSCLQMTME-SANMLTNESA-N 415.496 5.917 50 1 HKGF C[C@@H](c1ccc(CBr)cc1)c1nc2cc(F)cc(Br)c2[nH]1 586974794 ZXDPTYSNQWUUBN-VIFPVBQESA-N 412.100 5.511 50 1 HKGF Cc1ccc([C@@H](Cl)[C@]2(c3ccc(C)cc3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587371553 GTJQSRXNGBDIGP-JWQCQUIFSA-N 405.925 6.035 50 1 HKGF Cc1ccc2ccc3c(c2n1)OC(/N=C/N(C)C)=C(C#N)[C@H]3c1ccc(Cl)cc1 103198958 ODRJEPGQOJHUQG-SCRDLHCBSA-N 402.885 5.046 50 1 HKGF C/C(=N\NC(=O)COc1cccc2ccccc12)c1ccc(-n2c(C)ccc2C)cc1 103238077 NLOOALSVMJTTPH-NHFJDJAPSA-N 411.505 5.167 50 1 HKGF C/C(=C\CC[C@@H](C)CC(=O)[C@H](O)[C@H](C)Cl)CCCc1coc(Cc2ccoc2)c1 238734461 WHSPRQDLSQTWAX-JJZWWZCFSA-N 420.977 6.096 50 1 HKGF O=C1c2ccccc2-c2cc(-c3cc(Cl)cc(CCl)c3O)nc3cccc1c23 587103715 KAAJZQMSMAGCBW-UHFFFAOYSA-N 406.268 6.211 50 1 HKGF N#CC1=C(c2ccccc2)C[C@@H](c2ccc(Cl)cc2)[C@@H](C(=O)c2ccccc2)C1=O 102957236 JBRASADWXDKCLJ-UPVQGACJSA-N 411.888 5.873 50 1 HKGF Cc1cnc(Nc2ccc(C#N)cc2)nc1[C@H](Cl)c1ccc(Br)cc1 169349012 FUUBLUFSYVRFGO-QGZVFWFLSA-N 413.706 5.491 50 1 HKGF C[C@H]1[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@]2(C)CC(=O)C[C@]12C 221739495 BNMZCBZDVVDLIH-MUDGOKMXSA-N 420.669 5.347 50 1 HKGF COc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587326069 JOGVTANMCWOLOC-FYYLOGMGSA-N 412.844 5.033 50 1 HKGF O=C1c2ccc(O)cc2O[C@]2(c3ccccc3CC[C@H]2Cl)[C@@H]1c1ccc(F)cc1 587332616 SWCFEQKDPQQJEJ-AKFKNWHVSA-N 408.856 5.339 50 1 HKGF Cc1ccc([C@]2([C@@H](C)Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C 587688404 MFXAUYJCXCINTG-MNVSYLFESA-N 410.758 5.610 50 1 HKGF CCCC/C=C\c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587965393 LKYGNPMRIZMCQT-WAYWQWQTSA-N 405.230 7.186 50 1 HKGF Cc1ccc2c3c(c(CCCl)c(-c4ccc(Cl)s4)nc13)-c1ccccc1C2=O 587101999 KMFXYIKCHQFKSB-UHFFFAOYSA-N 424.352 6.918 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)n([C@H](C)c3ccccc3)c1C)O2 587373490 RBOPOPMGZCJAHX-CRICUBBOSA-N 422.956 5.704 50 1 HKGF Cc1cc(C)c([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 587688324 LHIVKDVIGLMBML-XOBRGWDASA-N 410.758 5.530 50 1 HKGF COC(=O)[C@H](C)[C@@H]1CC[C@](C)([C@@H]2C[C@]3(C)[C@H](C)C[C@@H]4C=C(C)CC[C@H]4[C@]3(C)O2)OO1 2356565542 ZUKFYDKHJLXOAT-CJBSQSMKSA-N 420.590 5.231 50 1 HKGF COc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1CCl 586986751 TZLRCZCBTYBFJB-UHFFFAOYSA-N 401.849 5.566 50 1 HKGF O=C1c2ccc(O)cc2O[C@](CCl)([C@H]2C[C@H]3CC[C@H]2C3)[C@@H]1c1ccc(F)cc1 587328794 VPHWBRMZZFLEIA-WIABTZJISA-N 400.877 5.304 50 1 HKGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc3c(c2)COC3)[C@@H]1c1ccc(F)cc1 587330037 ZXAUJYJEMMEXOT-VWNXMTODSA-N 424.855 5.055 50 1 HKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H]3CC[C@]2(CCl)C3(C)C)N1 587684380 KNJKKSGLBVKDJF-DZUZHBOMSA-N 400.763 5.383 50 1 HKGF CC(C)=CCC/C(C=O)=C\CC/C(C)=C\CC[C@@]1(C)C=Cc2cc(O)cc(C)c2O1 238787825 PFYWXIXLDAWXHZ-OFACLYIHSA-N 408.582 7.243 50 1 HKGF O=C1C[C@@H](c2ccc(OCCCBr)cc2)Oc2c1ccc1c2CCCC1 587498413 HEALFNSCVPAUSV-NRFANRHFSA-N 415.327 5.436 50 1 HKGF COc1cc2c3c(c1)O[C@@](c1ccc(C)cc1)([C@@H](Cl)c1ccc(C)cc1)[C@@H](C2)C3=O 587416950 GTXACGXXXAIUJC-OUIFVKKZSA-N 418.920 5.935 50 1 HKGF CC1(C)[C@H]2CC[C@@]1(C)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)[C@@H]2Br 587494947 AOABHWMJRNVGPB-ZHODDXKCSA-N 403.360 5.489 50 1 HKGF CC1(C)[C@H]2CC[C@@]1(CBr)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 587500169 RESTZWTWEHMGSG-UZQPLGKSSA-N 403.360 5.491 50 1 HKGF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(OCCCCl)c1)CC2=O 587459254 HFPOOHLOUZZHAP-HXUWFJFHSA-N 404.890 5.068 50 1 HKGF N#C[C@H](c1nc2ccccc2s1)[C@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 587534876 FOJPMQCHPORTLI-UZUQRXQVSA-N 422.937 5.425 50 1 HKGF C[C@@H](CC=CC(C)(C)OO)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356456849 SISZKTSVHKUZKL-CNXJXGGASA-N 416.646 6.777 50 1 HKGF CC(C)=C1CCC(C)=C(C)[C@@H]1[C@H](O)/C=C(\C)[C@H]1CC[C@@](C)(O)[C@@H](Br)C1 238764362 WRAWOJYEALVOIS-WZGPZFQASA-N 411.424 5.691 50 1 HKGF C[C@H](c1ccc(CBr)cc1)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 586973598 MBSXHHLQQDEGNI-SECBINFHSA-N 417.656 6.282 50 1 HKGF OC1(c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)CCC(C(F)(F)F)CC1 587125431 FGHZZKBTIWMVKG-UHFFFAOYSA-N 410.330 6.160 50 1 HKGF CCNC(=O)CCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587231321 VQNWBLYXIBHXBQ-UHFFFAOYSA-N 422.217 5.052 50 1 HKGF C[C@H](Cl)[C@]1(c2ccc3c(c2)CCC3)N[C@H](C)Cc2cc(Br)c(F)cc21 587686700 DIZPMUULIVOQPZ-RRMDADRESA-N 422.769 5.482 50 1 HKGF CC1=C(CCC(C=O)=CC[C@@H]2OC(=O)C=C2CO)[C@@]2(C)CCCC(C)(C)[C@@H]2CC1 2356505675 LJXILPIFWYMKCJ-WRALFONMSA-N 400.559 5.069 50 1 HKGF C=C1C[C@@H](O)[C@@H](Br)C(C)(C)[C@]12CC[C@@](C)(Br)[C@@H](Cl)C2 6018597 JPQFUHCOKXIWBB-OGMFBOKVSA-N 414.609 5.028 50 1 HKGF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(OCCCCl)c1)CC2=O 587459250 HFPOOHLOUZZHAP-FQEVSTJZSA-N 404.890 5.068 50 1 HKGF CCCc1c(O)ccc2c1O[C@](CCCCl)(c1c[nH]c3ccc(C#N)cc13)CC2=O 587461217 REISIXKCRMJLSS-DEOSSOPVSA-N 422.912 5.577 50 1 HKGF CCCCc1ccc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587684666 LKDINAIJEONRQH-SPLOXXLWSA-N 424.785 5.947 50 1 HKGF C=C[C@](C)(O)CC[C@@H]1C(=C)CC[C@H](Br)[C@]1(C)CC[C@@H](OC)C(C)(C)O 2356386514 LOLLYCOUYMZRJI-MTFRMWQMSA-N 417.428 5.006 50 1 HKGF N#C/C(=C(/N)Sc1ccccc1N)c1cccc([C@@H](O)c2ccc3ccccc3c2)c1 38145359 WIHOMMHYFAQSOS-HRNPCJQISA-N 423.541 5.447 50 1 HKGF CC1=C[C@@H]2C[C@@H](C)[C@]3(C)C[C@@H]([C@@]4(C)CC[C@@H]([C@@H](C)C(=O)O)OO4)O[C@]3(C)[C@@H]2CC1 49872117 RBCRLYUILSKEIS-JRKLPVNJSA-N 406.563 5.143 50 1 HKGF CN(C)/C=C(/C#N)[C@]1(c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587497298 ACVMYHJBTYEIBX-VIESLWHTSA-N 406.913 5.049 50 1 HKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1F 587712716 AAHIWCZOQVHTGK-BBATYDOGSA-N 400.694 5.052 50 1 HKGF O=C1C(O)=C([C@@H](NCCCCl)c2ccc(Cl)cc2Cl)C(=O)c2ccccc21 653907656 YVCMISBYDAIGQF-KRWDZBQOSA-N 424.711 5.144 50 1 HKGF CCCCC(=O)Nc1ccccc1SSc1ccccc1NC(=O)CCCC 13813285 YOEDOJCAWALZTA-UHFFFAOYSA-N 416.612 6.743 50 1 HKGF Cc1ccc([C@]2([C@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C 587323639 LOSWBYCBBMLNQQ-VVHBXYOFSA-N 424.899 6.030 50 1 HKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)s1 587613189 MQCKXRNMDKFPLV-NQIIRXRSSA-N 400.883 5.166 50 1 HKGF CC1=CC=C(Br)C(C)(C)[C@]12C[C@H](Br)[C@@](C)(Cl)C[C@@H]2O 13449926 TUPUUXBXXLYXLR-NZBPQXDJSA-N 412.593 5.153 50 1 HKGF biogenic OB(O)/C=C/c1ccc(-c2ccc(O)c(C34CC5CC(CC(C5)C3)C4)c2)c(Cl)c1 195234836 XLIBQELOFADZGB-AATRIKPKSA-N 408.734 5.206 50 1 HKGF C[C@@H]1C(=O)[C@H](C)[C@@H](c2ccc(Cl)cc2)N(C(=O)CCl)[C@H]1c1ccc(Cl)cc1 299847954 WAYLNDLLDJXKOC-DJZHIFDRSA-N 424.755 5.698 50 1 HKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc(Br)cc1)CC2=O 587459414 WPZVYZFYYQGLNK-IBGZPJMESA-N 409.707 5.207 50 1 HKGF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3cc(S(F)(F)(F)(F)F)ccc3[nH]2)cc1 587787398 VIDQITZHVPVWQN-KBPBESRZSA-N 418.387 6.164 50 1 HKGF CCOC(=O)c1ccc(NC(=O)CCCCCCCCCCBr)cc1 29215239 RHMDKSWGIVUZAE-UHFFFAOYSA-N 412.368 5.708 50 1 HKGF Cc1cccc(Nc2nnc(SC/C(O)=C(/C#N)c3nc4ccccc4[nH]3)s2)c1 101872324 XLLKWXDNHXIBGQ-SAPNQHFASA-N 420.523 5.051 50 1 HKGF Cc1cc(/C=C(\C#N)c2nc3ncc[nH]c-3n2)c(C)n1-c1cccc(Cl)c1Cl 587054117 CDPBSLZASRVOBF-NTEUORMPSA-N 409.280 5.083 50 1 HKGF COC[C@@H](C)n1c(C)cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587496325 CHMRKWHDIOSTRP-GYCJOSAFSA-N 415.961 5.291 50 1 HKGF CCCCc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587547247 ZMBXXDBPMXQESQ-RCZVLFRGSA-N 422.908 5.831 50 1 HKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(F)cc1F 587556319 JJCXDXRKESWQJK-KNQAVFIVSA-N 416.807 5.075 50 1 HKGF Cc1[nH]c(C(=O)[C@H](C)Cl)c(C)c1[C@@]1(C)NCCc2cccc(-c3ccccc3)c21 962658206 CFVVXDRMLIXWLS-IVCQMTBJSA-N 406.957 5.518 50 1 HKGF CCCN1[C@H](C)Cc2ccccc2[C@@]1(/C(C#N)=C\c1ccccc1[N+](=O)[O-])C(C)(C)C 963228638 MEZOHIGELKAJKW-UKLIMPTHSA-N 417.553 6.100 50 1 HKGF C/C(=N\NC(=O)/C=C/c1ccc(C(C)(C)C)cc1)c1ccc(C2CCCCC2)cc1 1857763281 KDFYNAQPJKMQGC-GGIKUTQTSA-N 402.582 6.585 50 1 HKGF C[C@H]1C[C@@H]1C=C[C@@H](C)[C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]23C=C[C@@]2(C[C@@H](O)CC[C@]12C)OO3 2356466295 ACIGRLRKXLVDFE-DOBSUDBKSA-N 412.614 5.838 50 1 HKGF CCSc1nc(NCc2ccccc2)c2cnn(C[C@H](Cl)c3ccccc3)c2n1 13682774 PKFLJZLOSWOVLN-IBGZPJMESA-N 423.973 5.531 50 1 HKGF Cn1c(SSCc2ccccc2)c(C(=O)Nc2ccccc2)c2ccccc21 13737581 KFXYCDPZWVGSPZ-UHFFFAOYSA-N 404.560 6.371 50 1 HKGF CCc1ccc([C@H]2C(C#N)=C(C)N=C3C[C@H](c4ccc(Cl)cc4)CC(O)=C32)cc1 103521253 KEDNMKQIZPUPFQ-CYFREDJKSA-N 402.925 6.628 50 1 HKGF CCN(CC)c1ccc([C@H]2C(C#N)=C(C)N=C3C[C@@H](c4ccccc4)CC(O)=C32)cc1 103866719 YTFKONLQVUVJTJ-RLWLMLJZSA-N 411.549 6.258 50 1 HKGF COC(C)(C)[C@@H](Br)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 586970178 BCRIIRJWNHBBCJ-JTQLQIEISA-N 419.163 5.462 50 1 HKGF O=C1c2ccc(O)cc2O[C@](CCCCl)(c2cccs2)[C@@H]1c1ccc(F)cc1 587373260 ICTJJAIYBHKJLJ-IFMALSPDSA-N 416.901 5.866 50 1 HKGF CO[P@@](=S)(Oc1cc(Cl)c(Br)cc1Cl)c1ccccc1 2016134 CVRALZAYCYJELZ-LJQANCHMSA-N 412.072 5.416 50 1 HKGF in-man CCOc1ccc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587686635 WHMDLDMDSJKXPS-HXPMCKFVSA-N 412.730 5.004 50 1 HKGF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC=C4C[C@H](OO)CC[C@@]4(C)C3=CC[C@@]21C 2356505438 FJKLGGRFXVSQLY-KSDBZDIJSA-N 410.642 7.748 50 1 HKGF Cc1cc(/C=C(/C#N)c2nc3cccnc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587056346 PJHUPAFSHNCXCZ-GDNBJRDFSA-N 408.292 5.736 50 1 HKGF CC(C)[C@H](NC(=O)OC(C)(C)C)[C@@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 587497246 HVXXTTMAHVBOHY-REWPJTCUSA-N 421.965 5.058 50 1 HKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1F 587712717 AAHIWCZOQVHTGK-VOJFVSQTSA-N 400.694 5.052 50 1 HKGF CCCCCCCCNC(=O)/C(C#N)=C/c1c(C)n(CCCC(C)C)c2ccccc12 49872241 DQKUWFRMOULDOB-FCDQGJHFSA-N 421.629 6.770 50 1 HKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)c(F)c2)([C@@H](C)Cl)N1 587725929 SYNYFZRCJGBGHN-CLFVBBPSSA-N 418.684 5.272 50 1 HKGF Cl[C@H]1[C@@H]2[C@H](C[C@H]1Cl)[C@]1(Cl)[C@@H](Cl)[C@@H](Cl)[C@]2(Cl)C1(Cl)Cl 100066733 AHDSBZOIXGOWCI-PVHYAWJSSA-N 411.798 5.208 50 1 HKGF in-vitro COc1c(CC=C(C)C)c(O)c(C(C)=O)c2c1C[C@H](OO)[C@](C)(CCC=C(C)C)O2 2356430459 VINMEZFCMWVMAA-CYFREDJKSA-N 418.530 5.410 50 1 HKGF N#CC1=C(SCC(=O)Nc2cccc(F)c2)N=C2CCCC(O)=C2[C@H]1c1ccco1 13080681 KXZPCSAJVGEBEH-HXUWFJFHSA-N 423.469 5.060 50 1 HKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C[C@H](Br)c1ccccc12 587542409 HDKMGEAQNYRTHC-BPXKWBHBSA-N 423.262 5.089 50 1 HKGF CCCCCC=CC(=O)[C@@H]1CSSC[C@@H]2CCC[C@H]2Oc2cc(ccc2O)C1 2356372066 XPHGCDJULMAVTL-CNNODRBYSA-N 420.640 6.199 50 1 HKGF CC(C)=C1CC[C@@H]2C(=CC[C@@H]3[C@](C)(C(=O)Oc4ccc([N+](=O)[O-])cc4)CCC[C@]23C)C1 2356843242 DCAYWUICMGOWKB-PZXVYJQKSA-N 423.553 6.780 50 1 HKGF C=C(Cl)[C@@](Cl)(CCl)CC[C@H](Br)C(C)(C)Br 1639192 OIAPZPRVTLHFSD-WPRPVWTQSA-N 401.397 5.673 50 1 HKGF N#CC1=C(/N=C/NCc2ccccc2)Oc2ccc3ccccc3c2[C@@H]1c1ccccc1 36379095 HQCQQBSCLQMTME-AREMUKBSSA-N 415.496 5.917 50 1 HKGF COc1ccc([C@@]2(CCCCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587546906 YVAQQQUYNODCAD-ZJSXRUAMSA-N 424.880 5.277 50 1 HKGF COc1ccc([C@@]2(CCCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587682811 DOULAIYZNPNIRF-HXPMCKFVSA-N 412.730 5.004 50 1 HKGF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)CC1=C[C@H]3OO 261525219 XBWZCSLUWJGSEA-WYSYMYBOSA-N 416.646 6.921 50 1 HKGF CCCCOc1ccc([C@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)cc1 587372054 HEDYLLFTZCGEJB-OAQYLSRUSA-N 418.331 5.012 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCCCl)(c1ccc(Br)s1)O2 587410458 NAGPXIAOXUKNSN-KRWDZBQOSA-N 414.752 5.281 50 1 HKGF Cc1c(F)ccc2c1[C@](CCl)([C@H](C#N)c1nc(-c3cccs3)cs1)NCC2 962295431 DPTPWKCHBDXHDF-VLIAUNLRSA-N 417.962 5.206 50 1 HKGF C(=N\c1ccc(SSc2ccc(/N=C\c3ccccc3)cc2)cc1)\c1ccccc1 17821619 XLKUGPMPZKTQKD-RSSRHXQMSA-N 424.594 7.987 50 1 HKGF C[C@]1(c2ccc(O)c(CCl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587328102 SXDXQXSPAODSRP-FYYLOGMGSA-N 412.844 5.250 50 1 HKGF C[C@@H](Br)[C@]1(c2cc(F)ccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587501618 CMKXELSUZORHEO-GTJPDFRWSA-N 421.281 5.488 50 1 HKGF CC(C)CC=C[C@H](C)[C@@H]1CC[C@@H]2[C@@]34C=C[C@@]5(C[C@H](O)CC[C@@]5(C)C3=CC[C@@]12C)OO4 2356657363 CAUMZAZCOGASOU-HFCWVSNDSA-N 412.614 6.148 50 1 HKGF CCCCOC(=O)c1cnc2c(cnn2C[C@@H](Cl)c2ccccc2)c1NCCC 13675541 FLWKAIOMXDXDCR-LJQANCHMSA-N 414.937 5.190 50 1 HKGF C[C@@H]1C(C#N)=C(SCC(=O)c2ccc(Cl)cc2)N=C2CC(C)(C)CC(O)=C21 103635657 JPPPRTJIVBADJC-GFCCVEGCSA-N 400.931 5.714 50 1 HKGF COc1ccc(Cl)cc1C#Cc1ccc(Cl)c(C(=O)CBr)c1F 587916893 XSGHBKFFWNENEW-UHFFFAOYSA-N 416.073 5.119 50 1 HKGF CCc1ccc(C(=O)CCc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 587956750 LLKWCOQKLUVTPS-UHFFFAOYSA-N 404.404 6.598 50 1 HKGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](CCCl)(c2ccc(C3OCCO3)s2)N1 962952692 VNOHMIRXNZDYNC-JLCFBVMHSA-N 416.974 5.072 50 1 HKGF COc1cccc2c3c(oc12)/C(=C/C=O)OC(/C=C/C=C(/Cl)c1ccc(F)cc1)=N3 43017451 HYABOSQOZMDELW-WWDYLISVSA-N 423.827 6.017 50 1 HKGF C=C1CCCC(C)(C)[C@]1(O)CC/C(C)=C/CC[C@@]1(C)CC[C@H]([C@@H](C)C(=O)OC)OO1 238768059 RZBOFZRCMWQHOO-HULIUYFXSA-N 422.606 5.669 50 1 HKGF [N-]=[N+]=NCCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1 299829501 LFWUNUWYCIHXBD-VHXPQNKSSA-N 403.913 6.964 50 1 HKGF N[C@@H]1CC[C@H](c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)C1 587247668 WVHLZANAAVZCEJ-NKWVEPMBSA-N 406.218 5.578 50 1 HKGF C=CCn1c(C)cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587544604 OOLWWWGXEWJNLH-XUZZJYLKSA-N 423.896 5.092 50 1 HKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3CC[C@]2(CCl)C3(C)C)N1 587684381 KNJKKSGLBVKDJF-LDWAOTCXSA-N 400.763 5.383 50 1 HKGF Cc1cc(C)c([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1 587541549 CGCLSDFZOQOCRB-XUZZJYLKSA-N 408.881 5.413 50 1 HKGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c(C)c1C 587543891 MIWNJEIUNBFGOV-RCZVLFRGSA-N 422.908 5.722 50 1 HKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(C2CCC(F)(F)CC2)N1 587722923 UMIVHSHIGBUAFA-QGHHPUGFSA-N 410.705 5.382 50 1 HKGF C[C@@H]1CC[C@H]2[C@@H](CCCc3cccc(Cl)c3)CO[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 103195914 VLOOLSRMTIFUIP-TXRQHSEUSA-N 406.950 5.525 50 1 HKGF C[C@@]1(c2ccc(N=C=S)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587370655 AKAJPCCMKSDJQY-GGAORHGYSA-N 405.450 5.540 50 1 HKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc3c(c2)CCC3)N1 587687073 YQTPENCVGVFWRQ-FKIZINRSSA-N 408.742 5.094 50 1 HKGF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(CCCCCl)c1ccc(F)c(C)c1 963636654 RMUKWVGNPCRICR-WAIKUNEKSA-N 405.941 5.338 50 1 HKGF O=C(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCN=C=S)NC1CC1 13674224 DJIKFQSZUJSZMN-DTLRTWKJSA-N 400.632 6.494 50 1 HKGF C/C(=N\NC(=O)c1cc(-c2ccccc2)nc2c(Cl)cccc12)c1cccnc1 15934364 XFHXOMNHOYPOLP-JFLMPSFJSA-N 400.869 5.104 50 1 HKGF O=C(N/N=C/c1ccccc1)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 28640007 YGTJKTHKELLYOK-OGLMXYFKSA-N 409.533 5.467 50 1 HKGF CCOC(=O)C1=C(C)NC(C)=C(C#N)[C@@H]1c1cnccc1-c1cccc2ccccc12 139548282 PFMILRPAGKLHTO-RUZDIDTESA-N 409.489 5.223 50 1 HKGF O=C(NCCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)OCc1ccccc1 587228262 LOUSVLJDXRXWBK-UHFFFAOYSA-N 421.391 5.689 50 1 HKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)([C@@H](C)Cl)N1 587733231 QAOMDHQVTRKLIU-YRUZYCQGSA-N 400.694 5.132 50 1 HKGF CC(C=C=C1C(C)(C)C[C@@H](O)C[C@]1(C)O)=CC=CC(C)=CC=CC=C(C)C=CC=O 2356381235 DTXLMVIHOKFQAR-OEJJGJSNSA-N 408.582 5.706 50 1 HKGF CC(C)[Si](O[C@@H]1C2=C[C@H]3[C@H](O)[C@H](O)[C@H]4[C@H]5C[C@H]3[C@@]2(CC1(C)C)[C@H]54)(C(C)C)C(C)C 2356729035 ASLTZPZDWYLWKE-WTYFJPRRSA-N 418.694 5.137 50 1 HKGF CC(C)[Si](OC1=C(C(=O)N(C)c2ccccc2Cl)CCCC1)(C(C)C)C(C)C 195509109 RKZMCSDZAAPJGT-UHFFFAOYSA-N 422.085 7.323 50 1 HKGF COc1cc(NCc2ccc(C3OOC(c4ccc(C)cc4)OO3)cc2)cc(OC)c1 72175579 VUHSHWIJEFUNSQ-UHFFFAOYSA-N 423.465 5.232 50 1 HKGF C=C[C@](C)(O)CC[C@@H]1C(=C)CC[C@H](Br)[C@@]1(C)CC[C@H](O)C(C)(C)Cl 473121201 GFQPXXIINCHFHC-ORZNMBHWSA-N 421.847 5.598 50 1 HKGF COc1cccc(-c2cc([C@@H](NC(=O)CCl)C(C)C)nc3c2oc2ccccc23)c1 587358052 NZZHTKKAZIQZRG-QFIPXVFZSA-N 422.912 5.709 50 1 HKGF C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)[C@@H](Cl)CCCCC[C@@H]2Cl 587705257 LVMVDWJCUVWIAE-VFVAKGGASA-N 409.170 5.497 50 1 HKGF CC[C@H](C)[C@@]1(CBr)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962635264 IPSPBYMMOZXADB-HARLFGEKSA-N 413.403 5.070 50 1 HKGF C/C(=N\NC(=O)/C=C/c1ccc(C(F)(F)F)cc1)c1ccc(C2CCCCC2)cc1 1857646201 JAPOEWZBDOPZMR-XOEHMAJKSA-N 414.471 6.307 50 1 HKGF CC(C)=CCCC(C=O)=CCCC(C)=CCCC(C)=CCc1cc(O)cc(C)c1O 2356816768 DEUBPZQDHVWBGP-UHFFFAOYSA-N 410.598 7.273 50 1 HKGF CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@](O)(CBr)CC[C@]4(C)[C@H]3CC[C@]12C 13760823 RCQIHFMJLBKIOD-HMWSDPSDSA-N 411.424 5.360 50 1 HKGF CC1(C)[C@@H](C(Cl)Cl)[C@]2(Cl)[C@H](Cl)[C@H](Cl)[C@]1(Cl)C2(Cl)Cl 100067441 HRBUJQUHXGOSQW-DURDZJSZSA-N 413.814 5.804 50 1 HKGF in-vitro COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@@H](Cl)CC[C@]4(C)[C@H]3CC[C@@]21C 118921446 PRYPOJFXOFUDRJ-NDPNZEMMSA-N 423.037 6.021 50 1 HKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1cc(C)ccc1C)CC2=O 587455358 BAEFNQZZHDZISF-OAQYLSRUSA-N 403.316 5.217 50 1 HKGF CC[C@H](C)c1ccc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587685880 BPBRGMQUVGHLPL-DGCWBMGLSA-N 424.785 6.118 50 1 HKGF C=CC(C)(C)c1[nH]c2cccc3c2c1[C@@H]1[C@H](C[C@H](Cl)[C@](C)(C=C)[C@@H]1N=C)C3(C)C 2356581799 KVKHZNMECJZECY-PULMJTOTSA-N 409.017 6.895 50 1 HKGF COC(=O)C[C@@]1(C)C[C@@](C)(C[C@H](C)CC/C=C/CC/C=C/c2ccccc2)OO1 42875591 GHRPFHNYOPGKTO-LLTYXAJGSA-N 400.559 6.275 50 1 HKGF Fc1cccc(C2(F)CC(c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)C2)c1 587131851 VKTAJGGSUGSWLL-UHFFFAOYSA-N 410.358 7.102 50 1 HKGF CCOC(=O)c1cnc2c(cnn2C[C@H](Cl)c2ccccc2)c1Nc1ccccc1 13491831 RIMNISJAMVSUJF-FQEVSTJZSA-N 420.900 5.332 50 1 HKGF Cc1cc(Nc2ccc(S(F)(F)(F)(F)F)cc2)n2nc(C(F)(F)F)nc2n1 73311875 PHPXBFMLYCJALY-UHFFFAOYSA-N 419.301 5.853 50 1 HKGF O=C(O)C[C@@H]1CC[C@@H]([C@H]2CC[C@H](CCCCCC[C@H]3C=CC=CC=CC3)O2)OO1 102003565 DIHXQPVNIPQBLK-FADBTOOJSA-N 404.547 5.517 50 1 HKGF CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@@H](Br)CC)CC2=O 587454553 YNNWPUSFNFBPOP-PZJWPPBQSA-N 403.316 5.379 50 1 HKGF Cn1cc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587496852 ABJFRODUIYBBRE-QHCPKHFHSA-N 424.338 5.313 50 1 HKGF COc1ccc(C)cc1[C@]1(CBr)CC(=O)c2ccc3c(c2O1)CCCC3 587496986 BBOUYAHFRMOPNG-JOCHJYFZSA-N 415.327 5.138 50 1 HKGF O=C1C[C@](CBr)(c2cc3ccccc3o2)Oc2c1ccc1c2CCCC1 587501827 YUBVHGIPQOJLOV-QFIPXVFZSA-N 411.295 5.567 50 1 HKGF CC(C=C=C1C(C)(C)C[C@H](O)C[C@]1(C)O)=CC=CC(C)=CC=CC=C(C)C=CC=O 2356381236 DTXLMVIHOKFQAR-YCIBVHSYSA-N 408.582 5.706 50 1 HKGF C[C@@]1(c2ccc(Cl)cc2)CC(c2ccc(Cl)cc2)=C(C#N)C(=C(C#N)C#N)N1 1864091 RNXGXBOKBXDQKY-QFIPXVFZSA-N 405.288 5.481 50 1 HKGF ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@H](Cl)[C@H](Cl)C[C@H]3[C@@]1(Cl)C2(Cl)Cl 64624436 BIWJNBZANLAXMG-IDTQJTQFSA-N 409.782 5.683 50 1 HKGF in-vitro Cc1cc(C)c([C@]2([C@@H](C)Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C 587687119 FLSBOCPNOCGMEV-ZSDSOXJFSA-N 424.785 5.919 50 1 HKGF CCc1ccc([C@]2([C@H](C)Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587689479 SVJLEJZHSULNGE-QAJFTPDKSA-N 410.758 5.556 50 1 HKGF CCCCC[C@H](O)c1ccc(N2CC[C@@H](Cl)[C@@H]2CC=CCCCC(=O)O)cc1 2356451011 RFCSWTDRMAILIS-FSSWDIPSSA-N 407.982 5.688 50 1 HKGF C=CCC/C=C/C=C/CCCCCC[C@@H]1CC[C@@H]([C@@H]2CC[C@@H](CC(=O)OC)OO2)O1 43273869 SNBDLVZWQJBVDH-MFOJWJPISA-N 420.590 5.996 50 1 HKGF O=C1c2ccc(O)cc2O[C@]2(CCCCC[C@@H]2Br)[C@@H]1c1ccc(F)cc1 587321776 FHQUOUVTLKGBFI-ZVDOUQERSA-N 419.290 5.357 50 1 HKGF CCCc1c(O)ccc2c1O[C@](CCl)(Cc1ccc(Br)cc1)CC2=O 587457844 NZYSFGOQNLAESL-HXUWFJFHSA-N 423.734 5.293 50 1 HKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ccc(Cl)s1 587614170 RARGBQPLIPYCMF-LPHOPBHVSA-N 407.274 5.203 50 1 HKGF COc1ccc2c(c1)[C@](CCl)(C(c1ccccc1)c1ccccc1)N(C(C)C)CC2 962092301 QGKRCJMCKZVODQ-HHHXNRCGSA-N 419.996 6.228 50 1 HKGF COC(=O)[C@H](C)[C@@H]1CC[C@](C)(CCC=C(C)CC[C@@]2(O)[C@H](C)CCCC2(C)C)OO1 2356794584 LGYQILBHOGDNJU-XIKCKBGFSA-N 424.622 5.749 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)n(-c3ccccc3C)c1C)O2 587373460 QUEZBVYPSYVBLK-XMMPIXPASA-N 408.929 5.393 50 1 HKGF Fc1cccc2c1[C@@](CBr)(c1csc3ccccc13)N1CCC[C@@H]1C2 963095199 CMFXLGRPEYCDON-QVKFZJNVSA-N 416.359 5.699 50 1 HKGF CC(=O)N(/N=N\c1ccc(C(F)(F)F)cc1C#N)c1ccc(C(F)(F)F)cc1 27903622 CYGHYTUZBNDFIA-QPLCGJKRSA-N 400.282 5.648 50 1 HKGF N#C/C(=C\c1ccccc1OCCCCN1CCCCC1)c1noc2ccccc12 40639853 UDGLTQLIBHHTFP-DYTRJAOYSA-N 401.510 5.537 50 1 HKGF COCO[C@H]1C[C@@H]2C[C@@H](O[Si](C)(C)C)[C@@H]3[C@@H](C#N)CCC[C@]3(C)[C@]23CC[C@@]1(C)C3 195326283 ZPLCZJUTRXOETD-UPBGEJNYSA-N 419.682 5.742 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1c(Cl)cccc1Cl)O2 587374210 ONWJZZVNKFCGKU-QGZVFWFLSA-N 415.114 5.140 50 1 HKGF CCCc1c(O)ccc2c1O[C@](CCCl)(c1ccc(Cl)c(Cl)c1)CC2=O 587460585 NPKBNZQIJMYFME-FQEVSTJZSA-N 413.728 6.141 50 1 HKGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](c2ccccc2)([C@H](Cl)c2ccccc2)N1 962960348 WQJGSBJNTJNMOO-ZOSUSCCZSA-N 400.953 6.316 50 1 HKGF Cc1cc([C@]2(CCl)NCCc3c(Cl)cc(Cl)cc32)c(C)n1Cc1ccco1 963114923 YFMZPZHFGUDXLK-NRFANRHFSA-N 423.771 5.681 50 1 HKGF COC(=O)[C@H](C)[C@@H]1CC[C@](C)(CCCC(C)=CC[C@H]2C(C)=CCCC2(C)C)OO1 2356439173 GTRMWSMRZUVWBH-KXEAFHOWSA-N 406.607 6.554 50 1 HKGF Fc1ccc(CNc2ncnc3c2cnn3C[C@H](Cl)c2ccc(Cl)cc2)cc1 29135692 QNYNFUREPOMYSY-SFHVURJKSA-N 416.287 5.211 50 1 HKGF COCO[C@H]1C[C@@H]2C[C@@H](O[Si](C)(C)C)[C@H]3[C@@H](C#N)CCC[C@]3(C)[C@]23CC[C@@]1(C)C3 195326293 ZPLCZJUTRXOETD-QMSKINLHSA-N 419.682 5.742 50 1 HKGF CCCCC/C=C\C[C@@H](/C=C/C=C\C/C=C\CCCC(=O)N[C@@H](C)C(=O)O)OO 535385323 HEDNIHSKHKFUON-RTYQQCFVSA-N 407.551 5.190 50 1 HKGF in-vitro Cc1ccc([C@]2([C@@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587321825 FMJQFVJWNPDAPO-CHVDNLQBSA-N 410.872 5.721 50 1 HKGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc(F)cc2)[C@H]1c1ccc(F)cc1 587329806 DJSRHZDGWHODHY-UNMCSNQZSA-N 400.808 5.164 50 1 HKGF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(NC(=O)CCCCl)cc1)CC2=O 587458379 AUWWSNVCQZGXGZ-HSZRJFAPSA-N 415.917 5.183 50 1 HKGF C=C(c1ccc(-c2ccccc2)cc1)[C@@H]1CCOC2(OO1)C1CC3CC(C1)CC2C3 44157027 AZNVYFVZUAQUSC-OELQWHEBSA-N 402.534 6.256 50 1 HKGF COC(=O)[C@@H](C)[C@@H]1CC[C@](C)(CC[C@@H]2[C@](C)(O)CC[C@@H]3C(C)(C)CCC[C@@]23C)OO1 136478655 UKQQQFDVYRDSMR-WZMHQZBYSA-N 424.622 5.439 50 1 HKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2F)([C@@H](C)Cl)N1 587723703 BWDHVUMZTIWAKF-CLFVBBPSSA-N 418.684 5.272 50 1 HKGF Cc1ccccc1[C@@]1(CCCCl)c2ccccc2CCN1[C@@H](C#N)c1ccccc1 963201980 HDCFWWROCUSWCG-SVBPBHIXSA-N 414.980 6.381 50 1 HKGF CC1(C)[C@H](Br)CC[C@@]1(C)[C@@]1(O)CC[C@](C)(Br)[C@H](Cl)C1 2356453231 RITYTGBWLLRFSG-GBIGGCNCSA-N 416.625 5.252 50 1 HKGF CCN(CC)CCOc1ccc(/C(=C(\C#N)c2ccccc2)c2ccc(O)cc2)cc1 13650276 QWYOSTLQEBZKOH-CYYJNZCTSA-N 412.533 5.595 50 1 HKGF Cc1cc(Nc2ccc(S(F)(F)(F)(F)F)cc2)n2nc(C(C)(C)C)nc2n1 73313856 PMIPXQRJWZEGOT-UHFFFAOYSA-N 407.412 6.131 50 1 HKGF C=C(c1ccc(C)cc1)[C@H]1OOC2(O[C@@H]1c1ccc(C)cc1)C1CC3CC(C1)CC2C3 95582362 XDGIDQNTGOFDKN-MPVIVDGXSA-N 416.561 6.557 50 1 HKGF C[C@H](Cl)OC(=O)O/N=C1\C[C@H](c2ccccc2)N(C)[C@@H](c2ccccc2)[C@@H]1C 169300351 PDVATKCRSBHEQS-SERZJUQWSA-N 400.906 5.535 50 1 HKGF Fc1cc2c(c(Cc3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)c1)OCOC2 587170533 CCPCMLRMASZHSV-UHFFFAOYSA-N 410.339 5.817 50 1 HKGF O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc(Cl)s2)[C@@H]1c1ccc(F)cc1 587376490 PJDDREGNABCGOL-UYAOXDASSA-N 423.292 5.739 50 1 HKGF C=C(CCC=CC=O)[C@@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@@]12C 2356384605 MQEYELVNMAGBIE-SJYLODJISA-N 424.669 7.332 50 1 HKGF COC(=O)c1ccc(Oc2ccc3nc(/C(C#N)=C/c4ccc(C)cc4)[nH]c3c2)cc1 587187864 LSFLGFPEXUGTEF-CPNJWEJPSA-N 409.445 5.514 50 1 HKGF N#C/C(=C\c1ccccc1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 587188217 OKJVKSMFVNJTMW-IZZDOVSWSA-N 408.177 5.288 50 1 HKGF CC[C@@]1(CCCBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587319627 CJDIMLHRSRNTGO-ICSRJNTNSA-N 407.279 5.214 50 1 HKGF COc1ccc(S(F)(F)(F)(F)F)cc1[C@@H]1NCCc2c(C(=O)O)cccc21 963127184 ZMRAIQSSEKWNLS-MRXNPFEDSA-N 409.376 5.286 50 1 HKGF N#C/C(C(=O)Nc1ccc(C(F)(F)F)cc1)=C(/O)c1cccc(C(F)(F)F)c1 59034360 NSPVJZOEGHQQGM-PFONDFGASA-N 400.278 5.156 50 1 HKGF CCO/C=N/C1=C(C#N)[C@H](c2ccc(Cl)cc2)c2ccc3ccc(C)nc3c2O1 103200355 ICBDWTUIVNXLIG-VEDIRDOVSA-N 403.869 5.521 50 1 HKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(C(C)C)cc1)CC2=O 587455782 FVNVHOIIRMYTCA-JOCHJYFZSA-N 417.343 5.724 50 1 HKGF CCCCCCc1ccc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587495861 ALMHXEVKMUZQKO-AREMUKBSSA-N 410.985 6.788 50 1 HKGF COc1cc(OC)c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1CCl 587496114 BPADUUGJTXIITB-HSZRJFAPSA-N 400.902 5.202 50 1 HKGF Cc1cc(C)c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1CCl 587545954 UDYGFUJJLWOIKZ-RDGATRHJSA-N 422.908 5.933 50 1 HKGF Cc1cc(C)c(C)c([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587688272 KOHGHVPXJBYMGF-ZSEKCTLFSA-N 424.785 5.838 50 1 HKGF CCCN1[C@H](C)Cc2ccccc2[C@@]12CCCCCCCCCC[C@@H]2Br 963231093 PYPIXTNTQNOMHB-FGCOXFRFSA-N 420.479 7.217 50 1 HKGF [C-]#[N+][C@@H](C)C/C=C(C)/C=C(\C)[C@H](C[C@H](C[C@H](C[C@H](CC=C)OC)OC)OC)OC 85598276 HLKNQLQCOZENND-GAAPUSCWSA-N 407.595 5.383 50 1 HKGF C[C@]12CC[C@H]3[C@@H](CC=C4C=C(C#N)CC[C@@]43C)[C@@H]1CCC(=O)N2Cc1ccccc1 95557338 NELDATILZZPVMZ-XEGHRTBSSA-N 400.566 5.790 50 1 HKGF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@H](Cl)CCCCCCCCC3 586986594 NTKIBCUUMOAYSQ-LJQANCHMSA-N 419.952 7.109 50 1 HKGF C[C@@H](CSc1ccc(F)cc1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587170974 WMCLVGZUYXVFPX-JTQLQIEISA-N 412.424 7.255 50 1 HKGF COC(=O)[C@@H](C)[C@H]1CC[C@](C)(CCC[C@H](C)CCC2=C(C)CCCC2(C)C)OO1 43543978 GJIDDUBOWGAKMM-RFISHFFASA-N 408.623 6.778 50 1 HKGF CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1c(-c2ccccc2)[nH]c2ccccc12 103205729 YNNWBYLUBUWJJM-NRFANRHFSA-N 409.489 5.286 50 1 HKGF COc1cc2c3c(c1)O[C@](c1ccc(C)cc1)([C@@H](Cl)c1ccc(C)cc1)[C@@H](C2)C3=O 587416949 GTXACGXXXAIUJC-MZBJOSPHSA-N 418.920 5.935 50 1 HKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCCl)(c2ccc(Cl)cc2)N1 587683247 GBHCTSVSBJGUGD-ADLMAVQZSA-N 417.149 5.648 50 1 HKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(C(Cl)Cl)N1 587688350 LSJWNEMNQWHYQZ-BMLIUANNSA-N 403.122 5.170 50 1 HKGF N#CC1=C(C#N)c2ccc(Sc3ccc(Br)cc3)c3cccc(c23)C1=O 1857569403 IFUUTGNBTBDNHL-UHFFFAOYSA-N 417.287 5.751 50 1 HKGF C=C[C@](C)(O)CC[C@@H]1C(=C)CC[C@H](Br)[C@]1(C)CC[C@H](OC)C(C)(C)O 2356386515 LOLLYCOUYMZRJI-WQBVUOOHSA-N 417.428 5.006 50 1 HKGF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OC(=O)C5CC5)CC[C@@]43C)[C@@H]1CC(C=O)=C2Cl 206023039 KMCUFWGSXBXDEX-MMJASOHGSA-N 402.962 5.573 50 1 HKGF C[C@]1([C@H](Cl)c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587338094 SWGXQKIGTZXJRU-MZYLBHOOSA-N 414.835 5.768 50 1 HKGF COc1ccc([C@]2(CCCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587682809 DOULAIYZNPNIRF-BUXKBTBVSA-N 412.730 5.004 50 1 HKGF O=C1c2ccccc2-c2cc([C@@H](Cl)C(=O)Nc3ccccc3)nc3ccc(O)c1c23 586986752 UAWPYUWOEVCIIZ-JOCHJYFZSA-N 414.848 5.070 50 1 HKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1F 587721508 WLAICMUADIBJGF-BBATYDOGSA-N 400.694 5.052 50 1 HKGF COc1ccc(Cl)cc1C#Cc1cccc(-n2c(C)cc(C(=O)CCl)c2C)c1 587904948 FNZWLSFIHJPWMM-UHFFFAOYSA-N 412.316 5.577 50 1 HKGF Cc1c(F)ccc2c1[C@@](CCl)([C@@H](C#N)c1nc(-c3cccs3)cs1)NCC2 962295427 DPTPWKCHBDXHDF-VBKZILBWSA-N 417.962 5.206 50 1 HKGF CC(C)CCOc1cc2nc(/C=C\CBr)[nH]c2cc1Br 586972589 XJOJSJXBQUPAJZ-ARJAWSKDSA-N 402.130 5.158 50 1 HKGF O=C1c2ccc(O)cc2O[C@](CCl)(c2cccc3cc[nH]c23)[C@H]1c1ccc(F)cc1 587325398 DVKJLJXAOJISKB-XUZZJYLKSA-N 421.855 5.506 50 1 HKGF CCCc1c(O)ccc2c1O[C@H]([C@@]13C[C@]1(C)[C@H]1CC(C)(C)C[C@H]1C=C3C=O)CC2=O 587482573 OVBSEQVSALBHPP-AQLZMCQQSA-N 408.538 5.266 50 1 HKGF Cc1sc2c(c1C)CCN[C@]2(CCl)c1cc(C)n(-c2ccccc2F)c1C 963018488 GFVMZXOFQUVEMS-JOCHJYFZSA-N 402.966 5.540 50 1 HKGF CCO/C(O)=C1\C(C)=NC(C)=C(C#N)[C@@H]1c1cnccc1-c1cccc2ccccc12 34802510 WGJPZWOHTPVRGP-NPJIAGGLSA-N 409.489 6.064 50 1 HKGF COc1ccc([C@H]2CC3=NC(C)=C(C#N)[C@@H](c4ccc5c(c4)OCO5)C3=C(O)C2)cc1 103996565 AQLIFGBLQZRVSR-BXKMTCNYSA-N 414.461 5.149 50 1 HKGF COC(=O)[C@@H](C)[C@@H]1CC[C@](C)(CC[C@@]2(C)[C@H](C)CC[C@@]3(C)C(C)=CCC[C@H]23)OO1 238760643 ODANAQMVYMSWBA-YDLWURSQSA-N 406.607 6.244 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(CC(C)C)cc1)([C@H](C)Br)O2 587374179 OJJDZXPXWFRHGT-OYHNWAKOSA-N 416.359 5.420 50 1 HKGF CCCc1c(O)ccc2c1O[C@](c1cccc(C)c1)([C@@H](C)Br)CC2=O 587457454 ZSTZODDZNMBEPC-SZNDQCEHSA-N 403.316 5.297 50 1 HKGF Cc1cccc2[nH]cc([C@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)c12 587684735 LVXMXIVXIOANED-YUNKPMOVSA-N 421.741 5.395 50 1 HKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(C#Cc3ccccc3)nc2c1 587953273 HGFNDXZZNQPKEP-UHFFFAOYSA-N 423.204 6.383 50 1 HKGF Cc1nc(-c2cccc(Cl)c2)ccc1C(=O)N/N=C/c1ccc(Cl)cc1Cl 1857629453 QIHCQLKGEISMCZ-BHGWPJFGSA-N 418.711 5.781 50 1 HKGF O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCC(=C(c2ccccc2)c2ccccc2)CC1 49766925 PSCYVLDWGJFURN-UHFFFAOYSA-N 414.461 5.692 50 1 HKGF Cc1cccc(Nc2nnc(SC/C(O)=C(\C#N)c3nc4ccccc4[nH]3)s2)c1 101559799 XLLKWXDNHXIBGQ-VKAVYKQESA-N 420.523 5.051 50 1 HKGF CCc1ccc(Nc2nc3cc(NC(=O)c4cccc(CCl)c4)ccc3o2)cc1 199078500 CSZBIDMQTBGDDO-UHFFFAOYSA-N 405.885 6.125 50 1 HKGF CC(C)=CCC/C(C=O)=C\CC/C(C)=C\CC/C(C)=C/CC1=CC(=O)C=C(C)C1=O 207854556 LBHIBZMBLXNKLE-LXOCKLPTSA-N 408.582 6.726 50 1 HKGF BrCc1[nH]c2c(c(Br)cc3n[nH]cc32)c1Oc1ccccc1 587620193 AJXZNJZNNVMEDF-UHFFFAOYSA-N 421.092 5.494 50 1 HKGF CC(C)=CCCC(C=O)=CCCC(C)=CCC[C@]1(C)C=Cc2cc(O)cc(C)c2O1 2356586194 PFYWXIXLDAWXHZ-HHHXNRCGSA-N 408.582 7.243 50 1 HKGF O=c1ccc2cc3ccoc3c(O[P@](=O)(Cl)N(CCCl)CCCl)c2o1 43366103 DRDKAUSJBREKBZ-RUZDIDTESA-N 424.604 5.045 50 1 HKGF C[C@H]1CCO[C@H](c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)C1 586917705 VLZMTDOUQXBBID-CPCISQLKSA-N 421.229 6.470 50 1 HKGF C/C(C=O)=C\CC/C(C)=C/CC/C(C)=C/CC[C@@]1(C)CCc2cc(O)cc(C)c2O1 14767771 OKDOOPKXOAEBFT-HBCLTNMHSA-N 410.598 7.163 50 1 HKGF COc1ccc(/C=C/C(=O)c2ccc(C(=O)/C=C/c3ccc(OO)cc3)cc2)cc1 103169421 IIDLZLHLZYCRQC-KGMKFKQSSA-N 400.430 5.339 50 1 HKGF Cc1ccc(/C=C(\C#N)c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc1 587189020 ZJIWMFAIJHNXNL-WUXMJOGZSA-N 422.204 5.597 50 1 HKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2cccc(Cl)c2)N1 587689275 RJPVUPJSEWWLOD-DYZYQPBXSA-N 403.122 5.258 50 1 HKGF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](C)(c2cccc(S(F)(F)(F)(F)F)c2)N1 962949549 PPGASHJDOWSNJJ-VBKZILBWSA-N 416.459 7.013 50 1 HKGF CCCCCCn1c2ccc(C(=O)CCl)cc2c2cc(C(=O)CCl)ccc21 1772593454 LRHGTQCCQOMPRA-UHFFFAOYSA-N 404.337 6.218 50 1 HKGF CCCCC[C@H](O[Si](C)(C)C)[C@H](CC=CCCCCCCCC(=O)OC)OC 2356534542 MFAQJJHSPYTDNA-VXKWHMMOSA-N 414.703 6.652 50 1 HKGF C=C(C)C1=CC2=CC[C@H]3[C@](C)(C(=O)Oc4ccc([N+](=O)[O-])cc4)CCC[C@]3(C)[C@H]2CC1 238738770 BHHOISVHWJKJHR-BKJQLSFMSA-N 421.537 6.556 50 1 HKGF CCCCCCc1ccc([C@@]2(CCl)CC(=O)c3ccc(O)c(CCC)c3O2)cc1 587458707 FDLILJOIXKQREE-VWLOTQADSA-N 414.973 6.567 50 1 HKGF COC[C@H](C)n1c(C)cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587496327 CHMRKWHDIOSTRP-UPCLLVRISA-N 415.961 5.291 50 1 HKGF Oc1cc2cc([C@@]3(CCl)c4c(F)cccc4C[C@H]4CCCN43)c(Cl)cc2[nH]1 963117336 YWXJFMAOHPKAEZ-SZNDQCEHSA-N 405.300 5.169 50 1 HKGF COc1ccc([C@@]2([C@H](C)Br)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587497812 DITSUTQZHBSVRS-FPTDNZKUSA-N 415.327 5.218 50 1 HKGF Cc1cc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1F 587502357 DHRCFPWKLCDVTI-OAQYLSRUSA-N 403.291 5.269 50 1 HKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(C(C)(C)C)cc2)N1 587689930 XURPYECNNAAKPG-LRTDBIEQSA-N 424.785 5.902 50 1 HKGF COC(=O)C(C)(C)c1ccc([C@@]2(CCCCl)NCCc3c2sc(C)c3C)cc1 963015597 BVZWADPJYOXWLI-HSZRJFAPSA-N 420.018 5.224 50 1 HKGF COc1ccc(-c2coc3cc(OCCCCCBr)ccc3c2=O)cc1 1772650861 NAZZWDWZVWKVBA-UHFFFAOYSA-N 417.299 5.413 50 1 HKGF C[C@@H](CCC[C@H](C)CCCCc1ccccc1)C[C@]1(C)C[C@@H](C)[C@H](CC(=O)O)OO1 2356493229 LSXRGRHXZNJETP-JDNYXELFSA-N 418.618 6.822 50 1 HKGF C/C(=C\C/C=C\C#N)[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]2[C@H](C)CCCC(C)C)[C@@H]1CC(=O)O 13782003 LCJOGGZGFJJACV-LEOGNBSQSA-N 413.646 7.398 50 1 HKGF CC(C)(C)OC(=O)/C=C/c1cccc([C@@H]2C(C#N)=C(N)Oc3ccc4ccccc4c32)c1 73160749 OEZBHXWKCXHPHG-RBZOQEBVSA-N 424.500 5.413 50 1 HKGF C=C1C(CCl)(CCl)[C@@]2(Cl)[C@H](Cl)[C@@H](Cl)[C@@]1(Cl)C2(Cl)Cl 100404806 OEJNXTAZZBRGDN-GCXDCGAKSA-N 411.798 5.378 50 1 HKGF in-vitro CC1(C)[C@@]2(Cl)[C@@H](Cl)[C@H](Cl)[C@](Cl)(C(Cl)Cl)[C@]1(Cl)[C@H]2Cl 169295410 DVEYBSZJQZPNLT-SUDUBANZSA-N 413.814 5.599 50 1 HKGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 587329801 DJSRHZDGWHODHY-IRLDBZIGSA-N 400.808 5.164 50 1 HKGF CCCc1ccc([C@]2(CBr)CC(=O)c3ccc(O)c(CCC)c3O2)cc1 587455969 ICXJUVIQDYWOJK-JOCHJYFZSA-N 417.343 5.553 50 1 HKGF C=CCn1c(C)cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587544602 OOLWWWGXEWJNLH-URXFXBBRSA-N 423.896 5.092 50 1 HKGF CC(C=CC=O)=CC=CC=C(C)C=CC=C(C)C=C[C@]12O[C@]1(C)C[C@@H](O)CC2(C)C 2356554203 QZOYIQGWDBXSHB-WYMJOSIYSA-N 408.582 5.958 50 1 HKGF N#CC(=C1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1)c1cccnc1 599458 JSIZGZYXULERFB-UHFFFAOYSA-N 407.517 5.203 50 1 HKGF C=C1[C@H](O)C=C(Br)C(C)(C)[C@]12CC[C@](C)(Cl)[C@@H](Br)C2 140421911 HFEBOTPUYODHCO-WCUVEOEZSA-N 412.593 5.153 50 1 HKGF CCS(=O)(=O)c1ccccc1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 586921492 BAHVNIJPNPNADR-UHFFFAOYSA-N 412.405 5.681 50 1 HKGF COC(=O)[C@H](C)[C@@H]1CC[C@](C)(CCC2=C(C)C[C@H]3C=C(C)CC[C@H]3C2(C)C)OO1 2356597065 SXELECXXRAJAPF-YCXVXASESA-N 404.591 6.164 50 1 HKGF C=CCC/C=C/C=C/CCCCCC[C@H]1CC[C@H]([C@@H]2CC[C@@H](CC(=O)OC)OO2)O1 43273878 SNBDLVZWQJBVDH-SCWQGDPHSA-N 420.590 5.996 50 1 HKGF C=C(CC[C@@H](O)c1cccc2ccccc12)[C@H]1COC2(OO1)C1CC3CC(C1)CC2C3 43356578 FCPIHJXDTTUQSS-SAHMEUMASA-N 420.549 5.709 50 1 HKGF CCCCCC[C@@]1(CBr)N[C@@H](C)Cc2ccc(F)c(Br)c21 587672417 FUNSHCNLDYCRNA-SJCJKPOMSA-N 421.192 5.683 50 1 HKGF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@@H]1c1ccc(CCl)cc1 961783264 MDAUZKVTJRSNTI-QFIPXVFZSA-N 412.961 5.666 50 1 HKGF O=C(O)C[C@@H]1CC[C@@H]([C@H]2CC[C@H](CCCCCC[C@@H]3C=C/C=C/C=CC3)O2)OO1 169328634 DIHXQPVNIPQBLK-WKQLKRANSA-N 404.547 5.517 50 1 HKGF CC(C)[C@H]1CC[C@@H]2[C@]3(C)CC[C@@]4(C)[C@H]5CCC=C(C=O)[C@@]5(C)CC[C@H]4[C@@]3(C)CC[C@@]21C 255212468 GLQVZWPBANIBQW-PFMOIDCSSA-N 424.713 8.233 50 1 HKGF CSc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587613641 OKSPLDIPGQEQAC-UGKGYDQZSA-N 412.894 5.210 50 1 HKGF Cc1cc(Nc2ccc(S(F)(F)(F)(F)F)cc2)n2nc(CC3CC3)nc2n1 73294741 PUOUAMGBSOEFPX-UHFFFAOYSA-N 405.396 5.786 50 1 HKGF CC[C@H](C)c1nc2nc(C)cc(Nc3ccc(S(F)(F)(F)(F)F)cc3)n2n1 73297874 HTHSNFGCVGLANY-JTQLQIEISA-N 407.412 6.347 50 1 HKGF N#CC1=COc2c(Cl)cc(Cl)cc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587503773 ZBMGHWMKBDOBAR-JOCHJYFZSA-N 412.272 5.533 50 1 HKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2cccc3cc[nH]c23)N1 587683772 IASKBRCTQMPUKD-NSPYISDASA-N 407.714 5.086 50 1 HKGF Cc1cc(C)c([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 587688321 LHIVKDVIGLMBML-JLTOFOAXSA-N 410.758 5.530 50 1 HKGF C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)[C@H](Cl)CCCCC[C@H]2Cl 587705256 LVMVDWJCUVWIAE-UHNFBRDESA-N 409.170 5.497 50 1 HKGF C=C(c1ccc(Oc2cccc3ccccc23)cc1)[C@H]1COC2(CCCCC2)OO1 64264482 UXUADFHIUMKSLB-RUZDIDTESA-N 402.490 6.653 50 1 HKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)Cc1ccccc1Cl 587542222 GEMHWFZFNCKMLF-KNQAVFIVSA-N 415.272 5.228 50 1 HKGF Cc1cc(C)c(C)c([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587543187 JVMPVIDBYAXJLD-RCZVLFRGSA-N 422.908 5.722 50 1 HKGF C=C(CC/C=C\C#N)[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]2[C@@H](C)CCCC(C)C)[C@@H]1CC(=O)O 13781997 LCEQNNMEJGUMMF-TYTPKMMESA-N 413.646 7.398 50 1 HKGF O=C(CCC(=O)N1c2ccccc2Sc2ccc(Cl)cc21)NNc1ccccc1 29334303 SSEJIIAGSSQKES-UHFFFAOYSA-N 423.925 5.393 50 1 HKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(Cl)s2)N1 587850142 XLMBQLVLBPQHKG-ANRSDYALSA-N 409.151 5.320 50 1 HKGF C[C@]1([C@H](Br)Cc2ccccc2F)NCCc2cc(-c3ccccc3)ccc21 962671109 WHYMAZIRUNVKDT-RPWUZVMVSA-N 424.357 5.860 50 1 HKGF C=CC(C)(C)c1[nH]c2cccc3c2c1[C@@H]1[C@H](C[C@H](Cl)[C@@](C)(C=C)[C@H]1N=C)C3(C)C 2356581796 KVKHZNMECJZECY-GOCWRJETSA-N 409.017 6.895 50 1 HKGF CC(=O)O/C=C/C(=C/OC(C)=O)CC/C=C(\C)CC/C=C(/C=O)CCC=C(C)C 140278115 BRIZUHSPVOWINR-DYVXZGHFSA-N 402.531 5.889 50 1 HKGF CCCc1c(O)ccc2c1O[C@](c1ccc(F)cc1)([C@@H](C)Br)CC2=O 587466449 LFLAPOHQAGZWEQ-ODXCJYRJSA-N 407.279 5.128 50 1 HKGF CC(C)=C1C=C2CC[C@H]3[C@](C)(C(=O)Oc4ccc([N+](=O)[O-])cc4)CCC[C@]3(C)[C@H]2CC1 137196225 ASQBQLBVYUFWMH-BKJQLSFMSA-N 423.553 6.780 50 1 HKGF Nc1ccc(C(=O)N/N=C\c2cc(N=Nc3cccc4ccccc34)ccc2O)cc1 299847783 DQKGBPUXEVJYAB-NRIVQEBSSA-N 409.449 5.307 50 1 HKGF Cc1cc(/C=C(\C#N)c2nc3cnncc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587057167 ULIHRWUCNPIHDG-VGOFMYFVSA-N 409.280 5.131 50 1 HKGF C[C@H](Br)[C@]1(c2cc(F)ccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587501633 CMKXELSUZORHEO-QKVFXAPYSA-N 421.281 5.488 50 1 HKGF CCCCCC=CC(=O)[C@@H]1CSSC[C@H]2CCC[C@@H]2Oc2cc(ccc2O)C1 2356372067 XPHGCDJULMAVTL-DXIQSLLYSA-N 420.640 6.199 50 1 HKGF O=C1c2ccc(O)cc2O[C@@](CCl)(Cc2ccc(F)cc2)[C@H]1c1ccc(F)cc1 587332881 KGGKACCRSIGLSB-JTHBVZDNSA-N 414.835 5.250 50 1 HKGF COc1cc2c3c(c1)O[C@@](c1ccc(C(C)C)cc1C(C)C)([C@H](C)Cl)[C@@H](C2)C3=O 587416955 GVVROYDEAXGCFD-HHCYOLOASA-N 412.957 6.212 50 1 HKGF COc1ccc([C@]2([C@H](C)Br)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587497817 DITSUTQZHBSVRS-RCDICMHDSA-N 415.327 5.218 50 1 HKGF C[C@@]1([C@@H](Br)Cc2ccccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587500767 CVEJLQVYAXRZPE-UNMCSNQZSA-N 417.318 5.435 50 1 HKGF CCc1ccc(CC)c([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587689467 SQLWRKRLKRQWGJ-LRTDBIEQSA-N 424.785 5.730 50 1 HKGF COc1ccc(/C=C\Cc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c(OC)c1 587928943 INKMKRCXPQQKRU-ARJAWSKDSA-N 420.403 6.493 50 1 HKGF CC(=CCC[C@]1(C)CC[C@H]([C@H](C)C(=O)O)OO1)CC[C@]12O[C@@]1(C)CCCC2(C)C 2356582851 ZJDQUUJWNSJRQH-QENKCHOGSA-N 408.579 5.821 50 1 HKGF COc1cc2c(cc1OC)[C@@H](Cl)C(c1ccc(Br)cc1)=C2Cl 1617195 ZQEDTHGOYDNZKQ-MRXNPFEDSA-N 400.099 5.867 50 1 HKGF C[C@H](C/C=C/C(C)(C)OO)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 44386336 SISZKTSVHKUZKL-HUYSPLOCSA-N 416.646 6.777 50 1 HKGF C[C@@H](CCCCc1ccccc1)CCC[C@@H](C)C[C@]1(C)C[C@](C)(CC(=O)O)OO1 141458910 YVFXEWAKTKCCQQ-JMLJLYKJSA-N 404.591 6.576 50 1 HKGF COc1cc2c3c(c1)O[C@@](CCl)(c1ccc(Oc4ccccc4)cc1)[C@@H](C2)C3=O 587416975 HGXNJGRBJYMYNN-RDPSFJRHSA-N 406.865 5.369 50 1 HKGF COc1cc2c3c(c1)O[C@](C)(c1cccc(S(F)(F)(F)(F)F)c1)[C@@H](C2)C3=O 587427613 KFRWRTCNQZXOBQ-KBXCAEBGSA-N 406.372 6.015 50 1 HKGF CCCc1c(O)ccc2c1O[C@](CCCCl)(c1ccc(C(C)(C)C)cc1)CC2=O 587461818 UHDRLRLNHXTDFH-VWLOTQADSA-N 414.973 6.522 50 1 HKGF O=C1C[C@@](CBr)(c2ccc(F)cc2F)Oc2c1ccc1c2CCCC1 587509076 WWKHHDXSVISGNF-HXUWFJFHSA-N 407.254 5.099 50 1 HKGF C=C[C@]1(C)C=C2CC[C@H]3[C@@](C)(CCC[C@@]3(C)C(=O)Oc3ccc([N+](=O)[O-])cc3)[C@H]2CC1 2356819413 YLCYEPJEDYBKRZ-SDIXAGHWSA-N 423.553 6.635 50 1 HKGF C=C1C(=O)C=C(Br)C(C)(C)[C@]12CC[C@](C)(Cl)[C@H](Br)C2 13449898 GBCRADGFVBSNKZ-SNPRPXQTSA-N 410.577 5.362 50 1 HKGF biogenic C=C(c1ccc(Oc2ccccc2)cc1)[C@@H]1COC2(OO1)C1CC3CC(C1)CC2C3 64361359 CWUFKNVEXCMGEE-AUEAHUEWSA-N 404.506 5.992 50 1 HKGF C/C(=C\CC[C@]1(C)CC[C@@H]([C@@H](C)C(=O)O)OO1)CC[C@]12O[C@@]1(C)CCCC2(C)C 96911631 ZJDQUUJWNSJRQH-MKHGTGNWSA-N 408.579 5.821 50 1 HKGF CCCCCCc1ccc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587495866 ALMHXEVKMUZQKO-SANMLTNESA-N 410.985 6.788 50 1 HKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OC3C4CC5CC(C4)CC3C5)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 44069830 GVWAVUXQFKPXME-SHSVOLTNSA-N 418.574 5.036 50 1 HKGF C=C1[C@@H]2CCC(C)=C[C@@H]2C[C@H](C)[C@]1(C)CC[C@]1(C)CC[C@@H]([C@H](C)C(=O)OC)OO1 2356435230 VSEZUKGTWQYFLZ-ZSUYHWETSA-N 404.591 6.020 50 1 HKGF C[C@@H]1C(=O)C[C@@H](c2ccc(Cl)cc2)N(C(=O)CCl)[C@@H]1c1ccc(Cl)cc1 103295221 VVZGLJDDTMRIBU-ZINOCKGTSA-N 410.728 5.452 50 1 HKGF CC(C)[C@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](OO)CC[C@]4(C)[C@H]3CC[C@@]21C 255225725 LESGHGUKCRHTCP-NBEWGGKZSA-N 412.658 7.828 50 1 HKGF N#CSC[C@@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587608207 QATPBCYGWOQHOE-UGKGYDQZSA-N 423.877 5.117 50 1 HKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCCC[C@H]2Br)N1 587684375 QOLAWBISWFOZMK-GTTSAUCSSA-N 405.149 5.045 50 1 HKGF C[C@]1([C@@H](Br)Cc2ccccc2F)NCCc2cc(-c3ccccc3)ccc21 962671110 WHYMAZIRUNVKDT-ZEQRLZLVSA-N 424.357 5.860 50 1 HKGF CC1=C(CC[C@](C)(O)C=CC[C@]2(C)CC[C@@H]([C@H](C)C(=O)O)OO2)C(C)(C)CCC1 2356501646 IOPIOUHRQRYDMU-FOZDKVSISA-N 408.579 5.581 50 1 HKGF C=CCCC=CC=CCCCCCC[C@@H]1CC[C@H]([C@@H]2CC[C@H](CC(=O)OC)OO2)O1 2356543480 SNBDLVZWQJBVDH-YCAMKHIRSA-N 420.590 5.996 50 1 HKGF Nc1n(Cc2ccccc2)c2ccccc2[n+]1CCCCCCCCBr 26382814 AXGUQSQAIJBKLM-UHFFFAOYSA-O 415.399 5.295 50 1 HKGF COc1ccc2[nH]c(-c3ccccc3)c(/C=C(\C#N)S(=O)(=O)c3ccccc3)c2c1 200009446 HSPBJSUJBJNRBC-HMMYKYKNSA-N 414.486 5.182 50 1 HKGF Cc1c(Br)cc2nc([C@H](C)c3ccc(CBr)cc3)[nH]c2c1C 586974052 PTZYMVMIVILXBM-GFCCVEGCSA-N 422.164 5.989 50 1 HKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(CCl)c(Cl)c1 587881104 NIPZJUFJWAVEIO-UHFFFAOYSA-N 401.120 5.096 50 1 HKGF COc1ccc(Cl)cc1C#Cc1ccc(CBr)cc1C(F)(F)F 587913905 NHZFHLFFOACVNN-UHFFFAOYSA-N 403.625 5.662 50 1 HKGF CCc1ccc([C@]2(CCl)c3ccccc3CCN2[C@H](C#N)c2ccccc2)s1 963188228 AJIIFDDPKYTGQT-VWNXMTODSA-N 406.982 5.916 50 1 HKGF CCCN1[C@H](C)Cc2ccccc2[C@@]1(c1cccc(Cl)c1)[C@@H](C)Br 963226141 GQCREYSCMFFFDC-ZOCZFRKYSA-N 406.795 6.024 50 1 HKGF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(CCCCCl)c1ccc(F)c(C)c1 963636653 RMUKWVGNPCRICR-QMHKHESXSA-N 405.941 5.338 50 1 HKGF FS(F)(F)(F)(F)c1ccc2[nH]c(-c3ccc(-c4nccs4)cc3)nc2c1 587023018 CDLKUSWDTPEORH-UHFFFAOYSA-N 403.401 7.011 50 1 HKGF C[C@H](Cl)C(=O)Nc1cccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1 587101115 DFRIHQPGBRIWFM-AWEZNQCLSA-N 412.876 5.679 50 1 HKGF C[C@H](Br)[C@@]1(c2ccc(F)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587509577 ZWELJJSLZRWDBH-LAJNKCICSA-N 421.281 5.488 50 1 HKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc3c(c2)CCCC3)N1 587685331 PQXQDVRAJWRTSX-LRTDBIEQSA-N 422.769 5.484 50 1 HKGF C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)[C@H](Cl)CCCCC[C@H]2Cl 587702471 DLHIFVGEPZHUDN-LERXQTSPSA-N 409.170 5.497 50 1 HKGF Fc1ccc2c(c1)C[C@H]1CCCN1[C@@]2(CCCCCCCl)c1ccccc1F 963108202 KWOKXMDIOITGLL-HYBUGGRVSA-N 403.944 6.418 50 1 HKGF ClCCCOc1ccc(CNc2nc3ccc(Oc4ccccc4)cc3s2)cc1 43074423 MSYYOFCJBWOQTK-UHFFFAOYSA-N 424.953 6.708 50 1 HKGF Cl[C@@H]1[C@H](Cl)C[C@@H]2[C@H]1[C@@]1(Cl)[C@H](Cl)[C@H](Cl)[C@@]2(Cl)C1(Cl)Cl 299812843 AHDSBZOIXGOWCI-VWMCEGGASA-N 411.798 5.208 50 1 HKGF FS(F)(F)(F)(F)c1ccc2nc(-c3cc4ccccc4c(Cl)n3)[nH]c2c1 587086098 RXLRHMLKXYIAAN-UHFFFAOYSA-N 405.779 7.089 50 1 HKGF CC(C)COc1cc2nc([C@@H](Br)C(C)(C)F)[nH]c2cc1Br 587086479 AKWQWQVEURLDGJ-CYBMUJFWSA-N 422.136 5.544 50 1 HKGF COc1ccc([C@]2([C@@H](C)Cl)NCCc3cccc(-c4ccccc4)c32)c(OC)c1 962666059 MEAMTCWBEWRRPV-NSYGIPOTSA-N 407.941 5.387 50 1 HKGF COc1ccc(Cl)c2c1CCN[C@@H]2c1ccccc1OCCCCBr 963268946 BPKKZAVPGPJPGS-HXUWFJFHSA-N 424.766 5.138 50 1 HKGF CC1=C[C@H]2C[C@@]3(C)O[C@H]([C@]4(C)CC[C@H]([C@@H](C)C(=O)O)OO4)C[C@H]3C(C)(C)[C@H]2CC1 73386383 HVANTBKYRQAYSD-LDTZHDHYSA-N 406.563 5.143 50 1 HKGF O=C(CCCC[C@@H]1CCSS1)OC1CCN(CCCc2ccccc2)CC1 95581854 FXHDSXFTYNGCLV-OAQYLSRUSA-N 407.645 5.341 50 1 HKGF CCCc1c(O)ccc2c1O[C@@](c1cccc(Cl)c1)([C@H](C)Br)CC2=O 587456998 UIQMAUFWCLSMRK-FKIZINRSSA-N 423.734 5.642 50 1 HKGF O=C1C[C@](CBr)(c2ccc(F)cc2Cl)Oc2c1ccc1c2CCCC1 587503935 KUJFMPUZACXRDE-FQEVSTJZSA-N 423.709 5.614 50 1 HKGF O=C1C[C@@](CCl)(c2ccc(Br)c(F)c2)Oc2c1ccc1c2CCCC1 587505392 MPVZORGTAMRBMA-HXUWFJFHSA-N 423.709 5.567 50 1 HKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCCl)(c2ccc(F)cc2F)N1 587724447 IBMVATBWXBJTNO-YPMLDQLKSA-N 418.684 5.273 50 1 HKGF Cc1ccccc1[C@@]1(CCCCCl)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962759643 CNIBKOLPOXFGMY-TZIWHRDSSA-N 409.879 5.293 50 1 HKGF N#CC1=C(N)OC(c2ccccc2)=C[C@@H]1c1c(-c2ccccc2)[nH]c2ccc(Cl)cc12 95603930 LGADNCHIMYPEHL-IBGZPJMESA-N 423.903 6.337 50 1 HKGF CC(C)[C@H](Br)C(=O)Nc1cccc(-c2cc3c4c(cccc4n2)CC3)c1 587208115 LMXKUKSKUZAZMU-NRFANRHFSA-N 409.327 5.358 50 1 HKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc(C)c1F 587722331 YCSWKSSGFSCWNH-BLVKFPJESA-N 414.721 5.361 50 1 HKGF COc1ccc([C@@]2([C@H](C)Cl)NCCc3cccc(-c4ccccc4)c32)c(OC)c1 962666062 MEAMTCWBEWRRPV-SSOJOUAXSA-N 407.941 5.387 50 1 HKGF COc1cc2c(cc1OC)[C@H](Cl)C(c1cc(OC)c(OC)c(OC)c1)=C2Cl 5811996 GHIQGZFHWQYERP-SFHVURJKSA-N 411.281 5.130 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1c(Cl)cccc1Cl)O2 587374209 ONWJZZVNKFCGKU-KRWDZBQOSA-N 415.114 5.140 50 1 HKGF CCc1ccc([C@]2([C@H](C)Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587545638 RWTAXXOZOCXDSJ-WIRXAFICSA-N 408.881 5.439 50 1 HKGF Cc1ccc(C2OOC(c3ccc(CNc4ccc(C(C)C)cc4)cc3)OO2)cc1 72174991 AIJZBKBMCUGCRH-UHFFFAOYSA-N 405.494 6.338 50 1 HKGF COC(=O)[C@@H](C)[C@@H]1CC[C@@](C)(CCC2=C(C)CC[C@@H]3C(C)(C)CCC[C@@]23C)OO1 166379551 DRRIVVROELVVDJ-LUWWFQEOSA-N 406.607 6.388 50 1 HKGF Cc1cc(/C=C(/C#N)c2nc3cnccc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587056852 SFZBVMRWXRYFCM-DHDCSXOGSA-N 408.292 5.736 50 1 HKGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc(F)c(F)c2)[C@H]1c1ccc(F)cc1 587331312 JCAQUDACIIYXDW-UNMCSNQZSA-N 418.798 5.303 50 1 HKGF O=C1C[C@@](CBr)(c2ccccc2Cl)Oc2c1ccc1c2CCCC1 587498869 JOQJTPUMAIATPD-HXUWFJFHSA-N 405.719 5.474 50 1 HKGF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(CCl)c1cc(C)n(-c2ccc(F)cc2)c1C 963222766 CTQCOTRFLKNDPS-QYBDOPJKSA-N 424.991 6.372 50 1 HKGF CC(C)[Si](OCc1cccc(-c2nc3c(C(N)=O)cccc3[nH]2)c1)(C(C)C)C(C)C 194869431 HWOCLBWDSWKUBQ-UHFFFAOYSA-N 423.633 6.021 50 1 HKGF CCOc1c([C@@H](C)O[Si](C)(C)C(C)(C)C)c(OC(C)=O)c2ccccc2c1OC 195396338 NQQSOELYQVKLND-OAHLLOKOSA-N 418.606 6.255 50 1 HKGF COc1ccc(-c2nc3c(C)ccc4c3c(c2CCCl)-c2ccccc2C4=O)cc1 586994153 WNEDAAGVIFXSSP-UHFFFAOYSA-N 413.904 6.212 50 1 HKGF Cc1ccc(/C=C(/C#N)c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc1 587187093 BVRLBTIVPKFVTP-SDQBBNPISA-N 406.205 5.717 50 1 HKGF O=C1C[C@@](CCl)(Cc2ccc(Br)cc2)Oc2c1ccc1c2CCCC1 587495286 CCWHWEFQGRZFLT-OAQYLSRUSA-N 419.746 5.513 50 1 HKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2F)([C@@H](C)Cl)N1 587724463 IDHIMQXXXDSCLA-MHNGPXOMSA-N 418.684 5.272 50 1 HKGF C=C1CCCC(C)(C)[C@]1(O)CCC(C)=CCC[C@]1(C)CC[C@H]([C@@H](C)C(=O)O)OO1 2356336880 RJSBLBVYBHFZDR-DVJXIFHOSA-N 408.579 5.581 50 1 HKGF COc1cc2c(cc1OC)[C@H](Cl)C(c1ccc(Br)cc1)=C2Cl 5811992 ZQEDTHGOYDNZKQ-INIZCTEOSA-N 400.099 5.867 50 1 HKGF N/C(=N\c1ccc(NC(=O)CCCC[C@H]2CCSS2)cc1)c1cccs1 13441927 IUYKAULZHGYWQM-INIZCTEOSA-N 405.614 5.438 50 1 HKGF C[C@H]1C(C#N)=C(SCC(=O)c2ccc(Cl)cc2)N=C2CC(C)(C)CC(O)=C21 103635664 JPPPRTJIVBADJC-LBPRGKRZSA-N 400.931 5.714 50 1 HKGF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C(=O)[C@@H](Br)CC3)c1 587358269 QRWNGEILTUJYOI-INIZCTEOSA-N 422.278 5.549 50 1 HKGF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccsc1CC[C@H]2Br 587536514 VSCDLAUDFYTOQT-QUCCMNQESA-N 403.341 5.197 50 1 HKGF Cc1cc2c(cc1F)[C@@](CCCCCCl)(c1ccccc1Br)NCC2 962148743 UPUGUFGYJJELRT-OAQYLSRUSA-N 424.785 6.085 50 1 HKGF CCOc1ccc(/C=N/NC(=O)N/C=C/c2ccc(C(C)(C)C)cc2)cc1OCC 1857757565 JKAOCDSLOOHVOQ-KOASKHKRSA-N 409.530 5.086 50 1 HKGF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(C=O)=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 40937017 YFFIGAINEQISSL-DQGOXJFYSA-N 400.647 6.568 50 1 HKGF COC(=O)[C@H](C)[C@@H]1CC[C@@](C)(CCC[C@H](C)CCC2=C(C)CCCC2(C)C)OO1 238775694 GJIDDUBOWGAKMM-UODSWBCTSA-N 408.623 6.778 50 1 HKGF Nc1cncc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 587253479 AAZZYZUHZHIQJU-UHFFFAOYSA-N 415.185 5.627 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(Cl)c(Cl)c1)O2 587375089 QTBRWPSKIGIXGF-QGZVFWFLSA-N 415.114 5.140 50 1 HKGF Cc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 587379319 XXWXCXDNWAGEGP-FPOVZHCZSA-N 402.874 5.394 50 1 HKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(Cl)c(C)c1)CC2=O 587455421 BXJIMXXYZUDJCD-FQEVSTJZSA-N 423.734 5.562 50 1 HKGF C=C[C@](C)(O)CC[C@@H]1C(=C)CC[C@H](Br)[C@]1(C)CC[C@@H](O)C(C)(C)Cl 2356332490 GFQPXXIINCHFHC-FPPGBKCQSA-N 421.847 5.598 50 1 HKGF C[C@@H](Cl)C(=O)Nc1c(-c2ccccc2)[nH]c2c1c(Br)cc1n[nH]cc12 587620179 AGLAPSFKEIQBDE-SECBINFHSA-N 417.694 5.040 50 1 HKGF COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@@H](c2ccc4ccccc4c2)C3)cc1 64549173 KUDKUSIIILYPDS-CJFMBICVSA-N 422.484 5.057 50 1 HKGF CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]23C=C[C@@]2(C[C@@H](O)CC[C@]12C)OO3 135652829 FOISYVRNZSWLHL-OLLYTBDOSA-N 416.646 6.452 50 1 HKGF C=C(C)[C@H](C[C@@H]1[C@@H]2c3c4cc5oc(=O)ccc5c3O[C@@]1(C)CC[C@H]2C(C)(C)O4)OO 238756485 NVEOQGPEFJKASY-JOWLWIRRSA-N 412.482 5.049 50 1 HKGF Oc1ccc(C2(c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)CCOCC2)cc1 586911836 ACFRLRIVNSMIKT-UHFFFAOYSA-N 420.403 6.022 50 1 HKGF FS(F)(F)(F)(F)c1ccc2nc(-c3coc(-c4ccccc4Cl)n3)[nH]c2c1 587061215 RGINUFFGXNFFNE-UHFFFAOYSA-N 421.778 7.196 50 1 HKGF O=C1c2ccc(O)cc2O[C@@](CCl)(Cc2ccccc2F)[C@H]1c1ccc(F)cc1 587329337 DOGIODAQOPHWGM-JTHBVZDNSA-N 414.835 5.250 50 1 HKGF N#CSC[C@@]1(c2ccccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587331674 JPVUTZATQUODKZ-GGAORHGYSA-N 423.440 5.139 50 1 HKGF CCO/C(C)=C(/C#N)c1nc(-c2c(-c3ccc(F)cc3)[nH]c3ccccc23)cs1 587923190 UFJMAIBXPDRHGL-JXAWBTAJSA-N 403.482 6.389 50 1 HKGF O=C(NN=C1C[C@H](c2ccccc2)N[C@@H](c2ccccc2)C1)c1ccc(Cl)cc1 1772592203 JHTUKDCFZIIUCG-DHIUTWEWSA-N 403.913 5.292 50 1 HKGF CC(C)=C1CC[C@@H]2C(=CC[C@H]3[C@@]2(C)CCC[C@@]3(C)C(=O)Oc2ccc([N+](=O)[O-])cc2)C1 2356843241 DCAYWUICMGOWKB-MFYWSIJSSA-N 423.553 6.780 50 1 HKGF O=C(CCC/C=C\C/C=C/C/C=C\C/C=C\CCCCCN=C=S)NC1CC1 38153834 DJIKFQSZUJSZMN-MGCLDQAJSA-N 400.632 6.494 50 1 HKGF CC[C@]1(C)C[C@@H]1c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 586892642 VKMZTCQGWSKLDJ-AMIZOPFISA-N 405.230 6.886 50 1 HKGF COC(C)(C)[C@H](Br)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 586970620 CWXXETBWHXFVLB-MRXNPFEDSA-N 416.344 5.701 50 1 HKGF CCOC(=O)Cc1c(CCl)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 587357792 MFVRVELTOZRNOI-UHFFFAOYSA-N 409.869 5.501 50 1 HKGF COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1CCl 587544707 NKSFESMIEFXHAK-NZQKXSOJSA-N 410.853 5.017 50 1 HKGF CCCCCc1cc2c(c(O)c1COO)[C@@H]1C=C(COC(C)=O)CC[C@H]1C(C)(C)O2 2356804431 IOTSKNJKGNLLKB-UYAOXDASSA-N 418.530 5.269 50 1 HKGF C[C@H](C(=O)O)[C@@H]1CC[C@@](C)(CC[C@]2(C)[C@H](C)CC[C@H]3C(C)(C)CCC[C@]32O)OO1 14286917 ZPRYIMYYBFJXAV-NRVISUNDSA-N 410.595 5.350 50 1 HKGF O=C(NN=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 68582140 KJRWLPZAFOIAJZ-UHFFFAOYSA-N 414.248 5.084 50 1 HKGF biogenic COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](Br)C(=O)CC3)c1 587357698 KJSQMEGWKNLGHB-LJQANCHMSA-N 422.278 5.608 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)c(Br)cc1C)O2 587379194 ZYIVIFBBYXPHPV-IBGZPJMESA-N 408.723 5.056 50 1 HKGF CC[C@@H](Br)[C@]1(c2ccc(Cl)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587415517 UIFKANYVIANYHZ-WRWLIDTKSA-N 421.718 5.165 50 1 HKGF CCCCCCCCCC[C@H](Cl)CCCCCNc1ccc(C(=O)OCC)cc1 43706195 OFNAAZYTQPZNKY-QHCPKHFHSA-N 424.069 7.974 50 1 HKGF Cc1cc(C)c([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)c1 587328903 WNWNYBTZATUUID-UKILVPOCSA-N 424.899 5.950 50 1 HKGF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(S(F)(F)(F)(F)F)c1)CC2=O 587472033 OYWANUVFXXVYTL-LJQANCHMSA-N 422.415 6.883 50 1 HKGF O=C1CC2(Oc3c1ccc1c3CCCC1)[C@@H](Cl)CCCCCCCCC[C@@H]2Cl 587503839 ZOLMMGPJIWGMFN-VXKWHMMOSA-N 423.424 7.009 50 1 HKGF O=P(c1ccccc1)(c1ccccc1)[C@@H](NCc1ccccc1)c1ccc(F)cc1 73291973 ALDGIMMWRISIHN-AREMUKBSSA-N 415.448 5.628 50 1 HKGF CC(C)[Si](OCC/C=C/[C@@H]1CCC(=O)[C@H]1[C@H](O)C1CCCCC1)(C(C)C)C(C)C 195802206 AIFDEPAJGQREQC-HISRFHTPSA-N 422.726 6.661 50 1 HKGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc3c(c2)CCC3)[C@@H]1c1ccc(F)cc1 587325712 GWFANYBSJOOKII-NOZRDPDXSA-N 422.883 5.513 50 1 HKGF CCCc1ccc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587682590 DCEXRSWUODDJDI-ZUOKHONESA-N 410.758 5.557 50 1 HKGF C#CC=CC[C@@H]1O[C@H](CC=C(Br)CC)[C@H](Br)C[C@H]1Cl 2356455962 NZHWXNQBZKBACG-TUVASFSCSA-N 410.577 5.173 50 1 HKGF CC(C)C=C[C@@H](C)[C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]23C=C[C@@]2(C[C@@H](O)CC[C@]12C)OO3 2356535829 KHLDJVKLPVTEEX-NNNIVQKHSA-N 400.603 5.838 50 1 HKGF C[C@@H]1CC[C@H]2[C@@H](CCCc3ccc(Cl)cc3)C(=O)O[C@@H]3O[C@@]4(C)CC[C@H]1[C@]32OO4 43380037 PVKNOCBVDQYQDN-ZFCYRSQGSA-N 420.933 5.051 50 1 HKGF COC(=O)[C@H](C)[C@H]1CC[C@@](C)([C@@H]2C[C@@H]3C(C)(C)[C@H]4CCC(C)=C[C@H]4C[C@@]3(C)O2)OO1 73224350 PNOATZDSQDNWLZ-JPJQCETOSA-N 420.590 5.231 50 1 HKGF COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCCCCl 587498845 PUMLLKVZMIIMOE-OAQYLSRUSA-N 400.902 5.288 50 1 HKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(Cl)cc1)CC2=O 587455605 DOYFTXFKYMFNCH-IBGZPJMESA-N 409.707 5.254 50 1 HKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(Cl)cc2)N1 587685221 ONVNFWMYBQLLPY-QGHHPUGFSA-N 403.122 5.258 50 1 HKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(N=C=S)cc1Cl 587895824 HORUATRWKCANIT-UHFFFAOYSA-N 409.725 5.092 50 1 HKGF COc1ccc([C@]2([C@H](C)Cl)c3cccc(F)c3CCN2[C@H]2CCSC2)cc1 962706912 MSGKIHGVCKUWTA-GIMINZRKSA-N 405.966 5.069 50 1 HKGF N#CC1=C(N)OC(c2ccc(Cl)cc2)=C[C@@H]1c1c(-c2ccccc2)[nH]c2ccccc12 95602523 NLBWOJIMXMZULE-FQEVSTJZSA-N 423.903 6.337 50 1 HKGF CCc1ccc([C@]2([C@@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587325384 YCUVSJPOUZREBG-JQRIVJTKSA-N 424.899 5.975 50 1 HKGF CCc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 587377317 RKADRFMVGUYLNO-IFMALSPDSA-N 416.901 5.648 50 1 HKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1cc(C)ccc1C)CC2=O 587455357 BAEFNQZZHDZISF-NRFANRHFSA-N 403.316 5.217 50 1 HKGF C[C@@H](Br)[C@@]1(c2ccccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587502090 IERWNIHCYDNDSD-LRTDBIEQSA-N 403.291 5.349 50 1 HKGF O=C(OCCCCCCCCCCCCBr)c1ccc(O)cc1O 1772633445 ZWXMIKYFHIDBCH-UHFFFAOYSA-N 401.341 5.551 50 1 HKGF C=C1CCCC(C)(C)[C@]1(O)CCC(C)=CCC[C@]1(C)CC[C@@H]([C@@H](C)C(=O)O)OO1 2356336881 RJSBLBVYBHFZDR-JDBUVZGPSA-N 408.579 5.581 50 1 HKGF C=C[C@](C)(O)CC[C@@H]1C(=C)CC[C@H](Br)[C@@]1(C)CC[C@@H](O)C(C)(C)Cl 473121203 GFQPXXIINCHFHC-YSDSKTICSA-N 421.847 5.598 50 1 HKGF O=C1C[C@](CCl)(c2cc3cc(O)[nH]c3cc2Cl)Oc2c1ccc1c2CCCC1 587498927 QTBRMIJJXDACNY-QFIPXVFZSA-N 416.304 5.505 50 1 HKGF C=C1C[C@H](OC(C)=O)[C@@H](Br)C(C)(C)[C@]12C=CC(=CBr)CC2 2356845253 OCXDCMCGDUTAKR-UXLLHSPISA-N 418.169 5.283 50 1 HKGF Br[C@H]1C2(SCCS2)[C@H]2C[C@H](c3ccccc32)C12SCCS2 299814384 FRLOUEROUMPIGM-BTTYYORXSA-N 417.484 5.387 50 1 HKGF C[C@]1(c2ccc(CCCl)cc2)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962639391 LIFLIQTZVXUVCL-VPUSJEBWSA-N 416.996 5.478 50 1 HKGF N#C/C(=C\c1ccccc1OCCCN1CCCCCC1)c1noc2ccccc12 40646063 LPAVKRZFLLCNSP-DYTRJAOYSA-N 401.510 5.537 50 1 HKGF CC(C)[C@@](C)(O)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 586886765 GRJGERDOACEPDG-GFCCVEGCSA-N 409.218 5.846 50 1 HKGF CCCc1c(O)ccc2c1O[C@@](CCl)(Cc1cccc(Br)c1)CC2=O 587457036 DPYHWNJMJNJAJA-FQEVSTJZSA-N 423.734 5.293 50 1 HKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCCl)c1ccc(Cl)cc1 587546709 XIOHALIMKRQEGF-KNQAVFIVSA-N 415.272 5.532 50 1 HKGF C=C1CC[C@H](Br)C(C)(C)[C@@H]1C/C=C(/C)[C@H](CBr)OC(C)=O 136743277 CAABAOKUTIAZRL-YCINNJIGSA-N 422.201 5.405 50 1 HKGF C[C@@H](CCCCc1ccccc1)CCC[C@@H](C)C[C@]1(C)C[C@H](C)[C@H](CC(=O)O)OO1 141458708 LSXRGRHXZNJETP-KOXDZAGOSA-N 418.618 6.822 50 1 HKGF C=C[C@](C)(O)CC[C@@H]1C(=C)CC[C@H](Br)[C@@]1(C)CC[C@@H](OC)C(C)(C)O 473123425 LOLLYCOUYMZRJI-SQAAOVBZSA-N 417.428 5.006 50 1 HKGF CCCCCCCCOc1cc2nc([C@@H](Cl)CCl)[nH]c2cc1Br 587008007 KKLMBOXRNPULHC-ZDUSSCGKSA-N 422.194 6.583 50 1 HKGF CC(C)(F)[C@H](Br)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 587087423 QHJIQGGTVXCCMJ-SECBINFHSA-N 407.127 5.785 50 1 HKGF N#C/C(=C/c1ccccc1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 587188224 OKJVKSMFVNJTMW-WDZFZDKYSA-N 408.177 5.288 50 1 HKGF C[C@]1([C@@H](Cl)c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587338096 SWGXQKIGTZXJRU-PMVMPFDFSA-N 414.835 5.768 50 1 HKGF O=C1c2ccc(O)cc2O[C@@](CCCl)(c2cccs2)[C@H]1c1ccc(F)cc1 587378387 UYGZQDHUOPXUCS-FPOVZHCZSA-N 402.874 5.476 50 1 HKGF C[C@@H]1CC=CC[C@H]1c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587968308 ZBCAZKZHVYEHNN-PSASIEDQSA-N 417.241 7.053 50 1 HKGF O=C(O)C[C@@H]1CC[C@H]([C@@H]2CC[C@@H](CCCCCC[C@@H]3C=CC=CC=CC3)O2)OO1 2356449171 DIHXQPVNIPQBLK-MHMIHQHRSA-N 404.547 5.517 50 1 HKGF C=C[C@@](Br)(CBr)CC[C@H](Br)C(C)(C)Cl 1637281 BIJRAENMNMOHHB-WPRPVWTQSA-N 411.403 5.262 50 1 HKGF C=CC(C)(C)c1[nH]c2cccc3c2c1[C@@H]1[C@H](C[C@@H](Cl)[C@](C)(C=C)[C@@H]1N=C)C3(C)C 238760836 KVKHZNMECJZECY-UMIISBCRSA-N 409.017 6.895 50 1 HKGF Cc1ccc([C@]2(CCCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587329284 XPLHCJYZKQSFJO-UPVQGACJSA-N 410.872 5.723 50 1 HKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@@H](Cl)CCCCC[C@H]2Cl 587705255 LVMVDWJCUVWIAE-PEWLAIEXSA-N 409.170 5.497 50 1 HKGF C[C@]1(c2cccc(/C=C\C=O)c2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587333300 NCUYKTKALUPZLA-KITRLUFOSA-N 420.411 5.157 50 1 HKGF CC(C)c1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587542277 GKFMQUNOTLGMHX-XUZZJYLKSA-N 408.881 5.612 50 1 HKGF CC1(C)[C@]2(Cl)[C@H](Cl)[C@H](Cl)[C@](Cl)(C(Cl)Cl)[C@]1(Cl)[C@@H]2Cl 100067485 DVEYBSZJQZPNLT-ISTGKALNSA-N 413.814 5.599 50 1 HKGF in-vitro O=C(Cl)c1ccc(Oc2ccc(C(=O)c3coc4ccc(Cl)cc34)cc2)cc1 587279114 WKOLLIVJEYZPMI-UHFFFAOYSA-N 411.240 6.489 50 1 HKGF O=C1c2ccc(O)cc2O[C@](CCCl)(c2ccccc2F)[C@H]1c1ccc(F)cc1 587339101 XYRAVNOLQTWCHU-JTHBVZDNSA-N 414.835 5.554 50 1 HKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@@H](Cl)CCCCC[C@H]2Cl 587702467 DLHIFVGEPZHUDN-JAMKOXHTSA-N 409.170 5.497 50 1 HKGF CCCCCCc1ccc([C@]2([C@@H](C)Cl)c3c(F)cccc3C[C@H]3CCCN32)cc1 963102412 MMVRRUFXXYDMOR-GVCORALISA-N 414.008 6.840 50 1 HKGF CCCCCCC[C@H]1C[C@H](Br)CCN1S(=O)(=O)c1ccc(C)cc1 44093562 RLIMGMJEFJRTBM-MSOLQXFVSA-N 416.425 5.272 50 1 HKGF Cc1cc(/C=C/C#N)cc(C)c1Oc1ccc([N+](=O)[O-])c(Nc2ccc(C#N)cc2)c1 66259661 BQZGCLFRRMPWHL-ONEGZZNKSA-N 410.433 6.156 50 1 HKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCCC[C@@H]2Br)N1 587680766 IXXZTIPPSKYOMG-HICWGWBUSA-N 405.149 5.045 50 1 HKGF C=C(C)[C@@H](CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)OO 2356337365 UEYFSWJEKNBMRD-JURGKQBESA-N 416.646 6.777 50 1 HKGF CC(/C=C/C=O)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C 146227541 QZOYIQGWDBXSHB-PCQNESLESA-N 408.582 5.958 50 1 HKGF COc1cc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCCCCl 587498133 MENZPUZUNGSEOE-DEOSSOPVSA-N 414.929 5.462 50 1 HKGF N#C/C(=C\C=C(/Cl)c1ccc(Br)cc1)C(=O)c1c[nH]c2ccccc12 1772605040 UCVFTRIKTCMUNO-UXDQDKTASA-N 411.686 5.843 50 1 HKGF C=C1CC[C@H](Br)C(C)(C)[C@@H]1CC=C(C)[C@@H](CBr)OC(C)=O 2356422015 CAABAOKUTIAZRL-OAGGEKHMSA-N 422.201 5.405 50 1 HKGF CC(C)=C1CC[C@@H]2C(=CC[C@@H]3[C@@](C)(C(=O)Oc4ccc([N+](=O)[O-])cc4)CCC[C@@]23C)C1 2356843240 DCAYWUICMGOWKB-IWOFBJJHSA-N 423.553 6.780 50 1 HKGF C/C(=C/C/C=C\C#N)[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]2[C@@H](C)CCCC(C)C)[C@@H]1CC(=O)O 13782002 LCJOGGZGFJJACV-WRRIANAGSA-N 413.646 7.398 50 1 HKGF CC(C)C(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(C=O)=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 40943227 WVNZHZSFXZXOCK-BHUYIRAGSA-N 414.630 5.747 50 1 HKGF COc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1CCl 587684875 MOMVPGZITVKGTP-JEOXALJRSA-N 412.730 5.133 50 1 HKGF Fc1ccc2c(c1)C[C@H]1CCCN1[C@@]2(CBr)C1(c2ccccc2)CC1 963104995 MKWAGDUVQLDYRK-DENIHFKCSA-N 400.335 5.168 50 1 HKGF COC(=O)[C@H](C)[C@H]1CC[C@](C)(CCC=C(C)CCC2=C(C)C(=O)CCC2(C)C)OO1 2356729369 CAFIDQGCHNMPFD-QNIAMRLHSA-N 420.590 5.877 50 1 HKGF C=C1C[C@H](OC(C)=O)[C@@H](Br)C(C)(C)[C@@]12C=CC(=CBr)CC2 2356845255 OCXDCMCGDUTAKR-ZMSDIMECSA-N 418.169 5.283 50 1 HKGF N#CC1=C(/N=C\c2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)S[C@@H]2CCCC[C@@H]12 36151611 KIBZYGPSCVIUCQ-DXIPMGLXSA-N 412.898 5.758 50 1 HKGF CSc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587613639 OKSPLDIPGQEQAC-KNQAVFIVSA-N 412.894 5.210 50 1 HKGF Fc1ccc2c(c1)C[C@H]1CCCN1[C@]2(CCCCCCCl)c1ccccc1F 963108209 KWOKXMDIOITGLL-YKSBVNFPSA-N 403.944 6.418 50 1 HKGF C/C(=C\CC[C@]1(C)CC[C@@H]([C@@H](C)C(=O)O)OO1)CC[C@]12O[C@]1(C)CCCC2(C)C 103137262 ZJDQUUJWNSJRQH-UKDVTIGYSA-N 408.579 5.821 50 1 HKGF CC(/C=C/C=O)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]1(O)C(C)(C)CCC[C@@]1(C)O 114965909 IZEAIVHGGJUWLL-XFHDJSLISA-N 410.598 5.941 50 1 HKGF FC(F)(F)CCc1ocnc1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587091100 AWJNYOBZJPKBLE-UHFFFAOYSA-N 407.286 6.370 50 1 HKGF Nc1ccccc1-c1ccc(-c2nc3cc(S(F)(F)(F)(F)F)ccc3[nH]2)cc1 587251144 ZKDZSRNEMKUPIS-UHFFFAOYSA-N 411.399 7.137 50 1 HKGF CCCCCCCCC=C(Br)[C@@H](O)C(Br)Br 2356578360 OXAKHAUHUJIBEU-LLVKDONJSA-N 421.011 5.493 50 1 HKGF O=C(O)CCC/C=C1/C[C@@H]2[C@@H](/C=N/NC(=O)Nc3cccc(Cl)c3)CC[C@@H]2C1 26161073 WAYQSWIUNSEWNI-GWHFVBSSSA-N 403.910 5.065 50 1 HKGF CC(C)(F)[C@@H](Br)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 587087340 ORMJLCCUHLSSFO-VIFPVBQESA-N 418.026 5.528 50 1 HKGF COc1ccc(Cl)cc1C#Cc1ccc(/C=C(/C#N)c2ccc(Cl)cc2)cc1 587905770 HQWPVKNWSGDBDJ-STZFKDTASA-N 404.296 6.466 50 1 HKGF Br[C@H]1CCCCCCCCCC[C@@]12NCCc1nc3ccccn3c12 962986453 UIGLIKMAFXCQNO-GHTZIAJQSA-N 404.396 5.353 50 1 HKGF CC(C)c1ccc2c(c1)CC[C@@H]1[C@@](C)(C(=O)Oc3ccc([N+](=O)[O-])cc3)CCC[C@@]21C 2356860418 VUFCJTVPJWNVGI-RNXOBYDBSA-N 421.537 6.334 50 1 HKGF CC(C)=CCC/C(C=O)=C/CC/C(C)=C/CC/C(C)=C/CC1=CC(=O)C=C(C)C1=O 59149031 LBHIBZMBLXNKLE-TZDKVAQASA-N 408.582 6.726 50 1 HKGF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2/C=N/NC(=O)c1ccccc1 118921370 PVYTZNSCHJIQFR-BKHUKCCQSA-N 420.597 5.342 50 1 HKGF Cc1cn2c(C(=O)NCc3ccc(S(F)(F)(F)(F)F)cc3)c(C)nc2s1 1857605150 IJRDTMSNSFAPGE-UHFFFAOYSA-N 411.421 5.600 50 1 HKGF CC(=CCc1ccccc1)C=C(C)C[C@H](C)C[C@]1(C)C[C@H](C)[C@@H](CC(=O)O)OO1 2356690191 OORWRLWZGVHRGG-JKBGKOONSA-N 400.559 6.128 50 1 HKGF COC(=O)[C@H](C)[C@@H]1CC[C@](C)(CCC=C(C)CC[C@]2(C)[C@@H](C)CCC[C@@]2(C)O)OO1 2356849922 PYRDXCUKHATXIK-OOWINXJUSA-N 424.622 5.749 50 1 HKGF Cc1ccc(-c2cc(C(=O)NN=Cc3cccc(OCc4ccccc4)c3)[nH]n2)cc1C 261161067 QWBOSFHRRAGQHH-UHFFFAOYSA-N 424.504 5.036 50 3 HKGF CCCc1c(O)ccc2c1O[C@@](CCCCl)(c1ccc(C(C)(C)C)cc1)CC2=O 587461817 UHDRLRLNHXTDFH-RUZDIDTESA-N 414.973 6.522 50 1 HKGF Cc1cc(C)c(C)c([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587543190 JVMPVIDBYAXJLD-WIOPSUGQSA-N 422.908 5.722 50 1 HKGF CCCCCCC#Cc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1ccc1ccccc21 73402669 AUZMDKQXPIFNKV-SANMLTNESA-N 406.529 6.380 50 1 HKGF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OCCCCl)c(OC)c1)CC2=O 587461926 VEWWZEZBDUTNCH-QHCPKHFHSA-N 418.917 5.242 50 1 HKGF COC(=O)C[C@H]1CC[C@](CCCC#CC=CCCCCCCCC(C)=O)(OC)OO1 2356842573 MVVBVWGLTALOPD-ISKFKSNPSA-N 422.562 5.052 50 1 HKGF CCCCCCCC/C=C\CCCCCCCC1=C(CCC(=O)O)C(=O)OC1=O 36160250 ISMLXUVVBRLIPH-KTKRTIGZSA-N 406.563 6.269 50 1 HKGF Fc1ccc(-c2cnn(Cc3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)c2)cc1 587165392 UIKBYCJLBYZWPO-UHFFFAOYSA-N 418.366 6.271 50 1 HKGF Cc1cc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1F 587502353 DHRCFPWKLCDVTI-NRFANRHFSA-N 403.291 5.269 50 1 HKGF CCCc1ccc([C@@]2(CBr)NCCc3cc(-c4ccccc4)ccc32)cc1 962659137 DWPQFKJAYOZDNH-RUZDIDTESA-N 420.394 6.090 50 1 HKGF C=CCCCCCCCC=CC#CCCC[C@@]1(OC)CC[C@@H](CC(=O)OC)OO1 2356632457 CBSYJKYAPRBDHQ-UPVQGACJSA-N 406.563 5.649 50 1 HKGF Cc1nc(C(C#N)=Cc2ccc(Cl)cc2Cl)sc1N=Nc1ccc(F)cc1 2356851265 QFQZTMHAMKXJFM-UHFFFAOYSA-N 417.296 7.377 50 1 HKGF CC1(C)[C@@H](Br)C[C@H]2O[C@@]2(C)[C@@]12CC[C@](C)(Cl)[C@@H](Br)C2 238745061 XHGHPMZGEBNXLW-UBHGWVTLSA-N 414.609 5.269 50 1 HKGF COc1cc2c3c(c1)O[C@]1([C@@H](Cl)CCCCCCCCC[C@H]1Cl)[C@@H](C2)C3=O 587423329 XAKLQRCNBJRVQI-UYZIEWPDSA-N 411.369 5.921 50 1 HKGF Cc1cccc2[nH]cc([C@]3(CCl)N[C@H](C)Cc4ccc(F)c(Br)c43)c12 587684734 LVXMXIVXIOANED-ODXCJYRJSA-N 421.741 5.395 50 1 HKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCCl)(c2ccc(F)cc2F)N1 587724314 GUHXIKZDKIEDDB-XTZNXHDOSA-N 418.684 5.273 50 1 HKGF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](CCCl)(c2ccc(C3OCCO3)s2)N1 962952688 VNOHMIRXNZDYNC-FPTDNZKUSA-N 416.974 5.072 50 1 HKGF C=C1CCCC(C)(C)[C@]1(O)CCC(C)=CCC[C@]1(C)CC[C@H]([C@@H](C)C(=O)OC)OO1 2356531199 RZBOFZRCMWQHOO-YENTXNKWSA-N 422.606 5.669 50 1 HKGF CCCCCC[C@]1(CBr)N[C@H](C)Cc2cc(Br)c(F)cc21 587673273 LVNKKVHVEHZJLX-SJKOYZFVSA-N 421.192 5.683 50 1 HKGF CCO/C(C)=C(\C#N)c1nc(-c2cc(C)n(-c3cccc(SC)c3)c2C)cs1 587924381 VQMSFNPGCAOCDD-CAPFRKAQSA-N 409.580 6.231 50 1 HKGF CC(C)[C@@H]1CC[C@]2(C)[C@@H]1CC[C@@]1(C)[C@@]2(C)CC[C@H]2[C@H]3CCC=C(C=O)[C@@]3(C)CC[C@]21C 2356687467 QUGNUGVPSFQDGD-BRYVTOIJSA-N 424.713 8.233 50 1 HKGF COc1cc(/C=C\c2ccc(O[Si](C)(C)C(C)(C)C)cc2)cc(OC)c1OC 195186443 VHVFBVPDUHTLSL-KTKRTIGZSA-N 400.591 6.267 50 1 HKGF C#Cc1cccc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 586879132 DYOFHJYUZKFHRG-UHFFFAOYSA-N 423.204 6.631 50 1 HKGF C[C@H](c1ccc(CBr)cc1)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 586973166 GAWUEIBTVOQSKV-SECBINFHSA-N 417.656 6.282 50 1 HKGF C[C@@]1(c2oc3ccccc3c2NC(=O)CCl)CC(=O)c2ccc3c(c2O1)CCCC3 587498817 OUHXXVWLXPQVDG-DEOSSOPVSA-N 423.896 5.370 50 1 HKGF Cc1cccc2[nH]cc([C@@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)c12 587683973 IQTXUCVWRXRBHW-ODXCJYRJSA-N 421.741 5.395 50 1 HKGF COc1cccc2c3c(cnc12)CCN[C@@]3(C)CCCO[Si](C)(C)C(C)(C)C 963062800 XOHCLIBFPLFFML-QHCPKHFHSA-N 400.639 5.406 50 1 HKGF CC(C=O)=CCCC(C)=CCCC(C)=CCC[C@@]1(C)CCc2cc(O)cc(C)c2O1 2356700482 OKDOOPKXOAEBFT-MHZLTWQESA-N 410.598 7.163 50 1 HKGF CC(C)(C)C(=O)Nc1ccc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cn1 587247402 LCJGIZNRZSAALF-UHFFFAOYSA-N 420.407 6.267 50 1 HKGF O=C1C[C@@](CCl)(Cc2cccc(Br)c2)Oc2c1ccc1c2CCCC1 587505542 UWNMMMWKOMKMLY-OAQYLSRUSA-N 419.746 5.513 50 1 HKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(CBr)c2)N1 587673219 LLYWRWAUUFBTHD-DYZYQPBXSA-N 413.128 5.107 50 1 HKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)s1 587842481 FPGDRGRSNWZELP-XYZCENFISA-N 402.760 5.283 50 1 HKGF C[C@H](C(=O)O)[C@@H]1CC[C@](C)(CC[C@]2(O)[C@H](C)CC[C@]3(C)C(C)(C)CCC[C@@]23C)OO1 2356803508 XDZGQQRZJDKPTG-DOCWINOXSA-N 424.622 5.740 50 1 HKGF CC(C)c1ccc(COc2ccc(/C=N/NC(=O)c3ccc(O)c(Cl)c3)cc2)cc1 13439050 GJZDCEHKQKJDGA-VULFUBBASA-N 422.912 5.512 50 1 HKGF C/C(C=C=C1C(C)(C)C[C@@H](O)C[C@@]1(C)O)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=O 95636279 DTXLMVIHOKFQAR-SIKOZASOSA-N 408.582 5.706 50 1 HKGF in-vitro CC(C)c1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587327665 QPIRBHDRHYTDFX-ZCYQVOJMSA-N 424.899 6.148 50 1 HKGF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(CCCCCCl)c1cccc([N+](=O)[O-])c1 963225806 GERIWFQMGFVSTM-YADARESESA-N 414.977 6.294 50 1 HKGF C[C@]1(CCCCCCCCCCC=Cc2ccccc2)C[C@]2(C)OC(=O)C[C@H]2OO1 2356398307 PVHBSURZEKXSCP-AFESJLNVSA-N 414.586 6.786 50 1 HKGF O=C(O)C[C@@H]1CC[C@H]([C@@H]2CC[C@H](CCCCCC[C@@H]3C=CC=CC=CC3)O2)OO1 2356449172 DIHXQPVNIPQBLK-OOYIDZMOSA-N 404.547 5.517 50 1 HKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1c(C)[nH]c3ccc(OC)cc13)CC2=O 587458400 AYAJDXLHDAMFKT-HSZRJFAPSA-N 413.901 5.243 50 1 HKGF Cc1cc(/C=C(/C#N)CC#N)cc(C)c1Nc1ccnc(Nc2ccc(C#N)cc2)n1 40527403 IZULHEXYBIGHBW-CPNJWEJPSA-N 405.465 5.273 50 1 HKGF C[C@H]1C=C(Br)C(C)(C)[C@]2(CC[C@](C)(Cl)[C@@H](Br)C2)C1=O 146482129 HMWLZIQJSYGFHO-YIVQXAGMSA-N 412.593 5.442 50 1 HKGF Cl[C@@H]1[C@H](Cl)C[C@@H]2[C@H]1[C@@]1(Cl)[C@@H](Cl)[C@H](Cl)[C@@]2(Cl)C1(Cl)Cl 299812842 AHDSBZOIXGOWCI-RAZZOAKPSA-N 411.798 5.208 50 1 HKGF Cc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C 587329304 XSAQNJHISVAJJN-UPVQGACJSA-N 410.872 5.641 50 1 HKGF O=C1C[C@@](CBr)(c2c(F)cccc2F)Oc2c1ccc1c2CCCC1 587508317 UWDLNZFMTOETDZ-HXUWFJFHSA-N 407.254 5.099 50 1 HKGF CO[C@H](C)COC1CCC(c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)CC1 587950241 AHMYRWFDKGGDTJ-PNESKVBLSA-N 414.440 6.298 50 1 HKGF Cc1cc([C@@]2(CCl)c3c(F)cccc3C[C@H]3CCCN32)c(C)n1-c1ccccn1 963106756 VXFOWODGQOMJMY-DVECYGJZSA-N 409.936 5.131 50 1 HKGF Cc1ccc2c3c(c(CC4CCCC4)c(CBr)nc13)-c1ccccc1C2=O 586993076 HVFLLPYGEIYXMN-UHFFFAOYSA-N 420.350 6.382 50 1 HKGF Cc1cc(/C=C/C#N)cc(C)c1Oc1cc(Cl)nc(Nc2ccc(C#N)cc2)c1 1857755747 JOLKRTYFENOFDC-ONEGZZNKSA-N 400.869 6.296 50 1 HKGF C[C@H](CCCCC=CCCC=Cc1ccccc1)C[C@@]1(C)C[C@](C)(CC(=O)O)OO1 2356514327 CRORVGKIBBBYNQ-RZFJZAQRSA-N 414.586 6.967 50 1 HKGF CCCCNc1nc(SCCC)nc2c1cnn2C[C@H](Cl)c1ccccc1 40846978 SWKWLDOGKJDBAI-KRWDZBQOSA-N 403.983 5.521 50 1 HKGF C[C@@H]1CC[C@H]2[C@@H](CCCc3cc(F)cc(F)c3)CO[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 101848113 KATRUVZVRWNMRM-RZUHFWIZSA-N 408.485 5.150 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1cc3cc(Cl)ccc3o1)O2 587371813 GGQMRYRXCUQOJN-LJQANCHMSA-N 420.690 5.232 50 1 HKGF FC(F)(F)c1cc(C(F)(F)F)c2c(CCl)c(-c3ccc(Cl)cc3)[nH]c2c1 587625338 GXHHULXTCPHYJL-UHFFFAOYSA-N 412.160 7.265 50 1 HKGF C=C[C@]1(C)C=C2CC[C@@H]3[C@](C)(C(=O)Oc4ccc([N+](=O)[O-])cc4)CCC[C@]3(C)[C@@H]2CC1 2356819411 YLCYEPJEDYBKRZ-NUNVBAQMSA-N 423.553 6.635 50 1 HKGF COC[C@H](C)n1c(C)cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587496322 CHMRKWHDIOSTRP-FYSMJZIKSA-N 415.961 5.291 50 1 HKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(Cc2ccccc2Cl)N1 587686342 CRMWQPIPHCELMZ-VOJFVSQTSA-N 417.149 5.453 50 1 HKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCCl)(c2ccc(F)cc2)N1 587727691 CBVDEBOFNODVQH-ADLMAVQZSA-N 400.694 5.134 50 1 HKGF CC(C)CC=C[C@H](C)[C@@H]1CC[C@@H]2[C@@]34C=C[C@@]5(C[C@H](O)CC[C@]5(C)C3=CC[C@]12C)OO4 2356657362 CAUMZAZCOGASOU-DXROSKDGSA-N 412.614 6.148 50 1 HKGF C=C[C@]1(C)C=C2CC[C@@H]3[C@](C)(C(=O)Oc4ccc([N+](=O)[O-])cc4)CCC[C@]3(C)[C@H]2CC1 2356819412 YLCYEPJEDYBKRZ-PMKNUOBQSA-N 423.553 6.635 50 1 HKGF C/C(=C/CC[C@H](C)CC(=O)[C@H](O)[C@H](C)Cl)CCCc1coc(Cc2ccoc2)c1 195199027 WHSPRQDLSQTWAX-BRFSBEQQSA-N 420.977 6.096 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cc(C)n(-c3ccccc3)c1C)([C@H](C)Cl)O2 587371477 FUWTZIHXPVIYJU-XDHUDOTRSA-N 408.929 5.473 50 1 HKGF C[C@H](Cl)[C@]1(c2ccc3c(c2)CCC3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587541954 DYVJACGWWKZKGA-JCVZSFDNSA-N 420.892 5.365 50 1 HKGF Cc1ccc([C@]2([C@H](C)Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C 587546883 YQAHUTGUHYSIDH-FBOFTVOISA-N 408.881 5.493 50 1 HKGF CCCCCCc1ccc([C@]2([C@H](C)Cl)c3c(F)cccc3C[C@@H]3CCCN32)cc1 963102398 MMVRRUFXXYDMOR-FPDDQMOCSA-N 414.008 6.840 50 1 HKGF C#CC=CC[C@@H]1O[C@H](CC=C(Br)CC)[C@H](Br)C[C@@H]1Cl 2356455961 NZHWXNQBZKBACG-BARDWOONSA-N 410.577 5.173 50 1 HKGF C=CCCC=CC=CCCCCCC[C@@H]1CC[C@H]([C@H]2CC[C@@H](CC(=O)OC)OO2)O1 2356543479 SNBDLVZWQJBVDH-UEQSERJNSA-N 420.590 5.996 50 1 HKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc(NC(=O)C(C)C)cc1)CC2=O 587461240 RIUMVBOYRXHJFA-QHCPKHFHSA-N 415.917 5.039 50 1 HKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1sccc1Br)CC2=O 587491113 IOBNAZZLICTARJ-KRWDZBQOSA-N 415.736 5.268 50 1 HKGF CCCOc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1CCl 587881182 PHEYGNSPSXUSQM-UHFFFAOYSA-N 424.755 5.231 50 1 HKGF C=C1CCCC(C)(C)[C@@]1(O)CC/C(C)=C/CC[C@@]1(C)CC[C@H]([C@H](C)C(=O)O)OO1 653719926 RJSBLBVYBHFZDR-OUFKEHLCSA-N 408.579 5.581 50 1 HKGF COC(=O)[C@H](C)[C@@H]1CC[C@](C)(CC[C@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]2(C)O)OO1 2356516323 UKQQQFDVYRDSMR-QLWVPMSBSA-N 424.622 5.439 50 1 HKGF CC(C=CC=O)=CC=CC=C(C)C=CC=C(C)C=C[C@]12O[C@@]1(C)C[C@H](O)CC2(C)C 2356554202 QZOYIQGWDBXSHB-FXVJXKIMSA-N 408.582 5.958 50 1 HKGF Cc1ccc(-n2c(C)cc([C@@]3(CCl)CC(=O)c4cc(C)cc(N)c4O3)c2C)cc1 587370685 BCQVRGJZJBECTL-DEOSSOPVSA-N 408.929 5.393 50 1 HKGF C/C(=N\NC(=O)/C=C/c1ccc(-c2ccccc2)cc1)c1ccc(C2CCCCC2)cc1 1857754296 VEOPLNFYDSQPRD-FSJBGWENSA-N 422.572 6.955 50 1 HKGF CC(C)C/C=C/C[C@H]1CC[C@H]2[C@@]34C=C[C@]5(C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@]12C)OO4 49881575 OAKBMFLEIZVVAO-FCAPNJJKSA-N 400.603 5.982 50 1 HKGF Cc1[nH]c(C(=O)CCl)c(C)c1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586985031 DVXZSFQZIDNZHB-UHFFFAOYSA-N 416.864 5.185 50 1 HKGF CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587044260 YHGNOUWYSMFFTP-GFCCVEGCSA-N 415.453 5.840 50 1 HKGF Cc1cc(C)c([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C 587329549 YLHTVUOEYWJMFE-ZCYQVOJMSA-N 424.899 5.950 50 1 HKGF Cc1cc(C)cc(-n2c(C)cc([C@@]3(CCl)CC(=O)c4cc(C)cc(N)c4O3)c2C)c1 587373468 QVJJSVIBZBUCMK-VWLOTQADSA-N 422.956 5.701 50 1 HKGF C[C@H](Cl)[C@@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587544282 NLIAHMQGEIQYKX-PSMUNZOPSA-N 415.272 5.530 50 1 HKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCCCl)(c2cccs2)N1 587844493 AUQMZKRYOZTZSQ-PIGZYNQJSA-N 402.760 5.447 50 1 HKGF ClCCCCCC[C@]1(c2ccccc2)c2ccsc2CCN1Cc1ccco1 962706425 LYCWJVOLXZZWOR-DEOSSOPVSA-N 414.014 6.832 50 1 HKGF C=C(Br)[C@@](C)(Cl)CC[C@@H](Br)C(C)(C)Br 1635861 VYTHSQCDAGXZGQ-SCZZXKLOSA-N 411.403 5.610 50 1 HKGF CC1=C[C@H](OC(=O)NCCCl)C[C@@](C)(O)C=C[C@H](C(C)C)CCC(C)=CCC1 253697316 ASERFLMHCJBCPH-GIWBLDEGSA-N 412.014 5.756 50 1 HKGF CC(C)CCOc1cc2nc(/C(C#N)=C/c3ccccc3)[nH]c2cc1Br 587187406 GWGNLTGBNVWISO-MHWRWJLKSA-N 410.315 5.814 50 1 HKGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2cccc3cc[nH]c23)[C@@H]1c1ccc(F)cc1 587325396 DVKJLJXAOJISKB-QPPBQGQZSA-N 421.855 5.506 50 1 HKGF CCCCCNC(=O)NNc1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 58506422 AZUIEFXSTHRKKI-UHFFFAOYSA-N 408.346 5.089 50 1 HKGF N#C/C(=C\c1ccccc1OCCCN1CCCCC1)c1noc2ccc(Cl)cc12 40646127 XVQIXTXSANOGOJ-XDJHFCHBSA-N 421.928 5.800 50 1 HKGF O=C(N/N=C\c1ccccc1)c1cc2c([nH]c3ccccc32)c(-c2ccc(Cl)cc2)n1 103180680 QDSGUJWSIJXGPH-DICXZTSXSA-N 424.891 5.800 50 1 HKGF C[C@@H](C(=O)N/N=C/c1ccc(C(F)(F)F)cc1)c1ccc(-c2ccccc2)c(F)c1 103200184 TUJGPCMBJVILQQ-LYIFJOSZSA-N 414.402 5.765 50 1 HKGF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(CCBr)cc1)CC2=O 587457300 XNDZOTKOGFSUKF-NRFANRHFSA-N 403.316 5.163 50 1 HKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(C)c1F 587555154 FOABAYWQGXSOLO-CVDCTZTESA-N 412.844 5.244 50 1 HKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc3c(c2)CCC3)N1 587683585 HPCCEMNXGPLBKI-FKIZINRSSA-N 408.742 5.094 50 1 HKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(F)cc1F 587713709 CVSKHTAXRUPKSJ-XTZNXHDOSA-N 418.684 5.191 50 1 HKGF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3C[C@@H](C)[C@@]2(OO)C(C)=O)C1 2356737728 SZGJLABGQCABNH-KRPHVEPJSA-N 406.563 5.024 50 1 HKGF Cc1cc([C@@H](Cl)c2ccc(Br)cc2)nc(Nc2ccc(C#N)cc2)n1 169349004 IAFQCKCOYJQLEZ-SFHVURJKSA-N 413.706 5.491 50 1 HKGF [C-]#[N+]C1=C(c2ccc(F)cc2)NC(C(F)(F)F)=C(C#N)[C@H]1c1ccc2[nH]nc(C)c2c1 261148434 OKFUXVNIVHNPMD-GOSISDBHSA-N 423.373 5.325 50 1 HKGF Cc1cc(C)cc(-n2c(C)cc([C@]3(CCl)CC(=O)c4cc(C)cc(N)c4O3)c2C)c1 587373466 QVJJSVIBZBUCMK-RUZDIDTESA-N 422.956 5.701 50 1 HKGF COc1cc2c3c(c1)O[C@@](c1ccc(C)c(Cl)c1)([C@H](C)Br)[C@@H](C2)C3=O 587415934 ZHIQTGDWZCQXRH-UYHHGJEOSA-N 421.718 5.083 50 1 HKGF CCCc1c(O)ccc2c1O[C@](c1ccc(C(C)(C)C)cc1)([C@@H](C)Cl)CC2=O 587459772 PJVWUBMCBLSZMC-MYYSRTQBSA-N 400.946 6.130 50 1 HKGF O=C1C[C@@](CBr)(c2sccc2Cl)Oc2c1ccc1c2CCCC1 587533906 YNXBINDHYSOKBA-GOSISDBHSA-N 411.748 5.536 50 1 HKGF CCc1ccc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 587845280 DJUCGYSJTFKOGG-BTDLBPIBSA-N 402.760 5.229 50 1 HKGF CCc1ccc([C@@]2(CCl)c3ccccc3CCN2[C@@H](C#N)c2ccccc2)s1 963188220 AJIIFDDPKYTGQT-LADGPHEKSA-N 406.982 5.916 50 1 HKGF CC(=CCCC(C=O)=CC[C@@H](O)C1=CC(=O)OC1)CCC1=C(C)CCCC1(C)C 2356379646 CVXAFDSSBXFDSR-HSZRJFAPSA-N 400.559 5.379 50 1 HKGF C=C1CC[C@H](Br)C(C)(C)[C@H]1Cc1cc(OC)c(Br)cc1O 3833837 UHRXKJFPPKYYEC-LRDDRELGSA-N 418.169 5.462 50 1 HKGF biogenic CC(=C(C#N)C#N)c1sc2sc(C(C)=C(C#N)C#N)c(-c3ccccc3)c2c1C 299819034 ABACVNBMJVTAOK-UHFFFAOYSA-N 410.527 6.580 50 1 HKGF O=C1C[C@](CBr)(c2sccc2Cl)Oc2c1ccc1c2CCCC1 587533907 YNXBINDHYSOKBA-SFHVURJKSA-N 411.748 5.536 50 1 HKGF C/C1=C/[C@H](OC(=O)NCCCl)C[C@@](C)(O)/C=C\[C@H](C(C)C)CC/C(C)=C\CC1 169364579 ASERFLMHCJBCPH-CHQXXEGSSA-N 412.014 5.756 50 1 HKGF COC(=O)[C@@H](C)[C@@H]1CC[C@](C)(CC[C@@H]2C(C)=CC[C@@H]3C(C)(C)CCC[C@@]23C)OO1 197294147 YPMAJMYXHUTKSJ-QZOZEGTJSA-N 406.607 6.244 50 1 HKGF Fc1ccc2[nH]c(-c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)c(Cl)c2c1 587175656 XDFQDEDQQAGDNX-UHFFFAOYSA-N 411.758 7.161 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(NC(=O)C(C)(C)C)cc1)([C@H](C)Cl)O2 587373143 PZSCABLCQCDWTC-LFVRLGFBSA-N 414.933 5.050 50 1 HKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(C1CC1)[C@H](Cl)c1ccccc1F 587566667 AIYGMWSVSCZMRH-ZTCOLXNVSA-N 424.855 5.622 50 1 HKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(C2CCCCC2)N1 587674606 YBHBLLUOSDUKLZ-DIFFPNOSSA-N 419.176 5.293 50 1 HKGF CCCCC[C@H](O[Si](C)(C)C)[C@@H](CC=CCCCCCCCC(=O)OC)OC 2356534543 MFAQJJHSPYTDNA-YADHBBJMSA-N 414.703 6.652 50 1 HKGF CC(=O)O[C@]1(C)[C@H]2CC=C(C=O)[C@H]1[C@](C)([C@@H](C)CCC=C(C)C)[C@H](C(C)=O)CC2 2356632209 HPSPFNDWQCDWLW-PICIPMQDSA-N 402.575 5.457 50 1 HKGF C=C(Cl)[C@](Cl)(CBr)CC[C@H](Cl)C(C)(C)Br 43381955 ZFHCZRDDIPJYNW-WCBMZHEXSA-N 401.397 5.673 50 1 HKGF biogenic CC(C)CN(Cc1cc(Cl)c(C#N)cc1Br)C(=O)/C=C/[C@H](C)Cl 103284785 ABLNVPZNQLBXKX-ITKZLYELSA-N 418.162 5.142 50 1 HKGF FS(F)(F)(F)(F)c1ccc2nc(-c3ccc4cc(Cl)ncc4c3)[nH]c2c1 587085043 MXLZJMNGCGESIM-UHFFFAOYSA-N 405.779 7.089 50 1 HKGF CCCCC[C@H](O)c1ccc(N2CC[C@@H](Cl)[C@H]2CC=CCCCC(=O)O)cc1 2356451012 RFCSWTDRMAILIS-VSKRKVRLSA-N 407.982 5.688 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(-c3ccccc3)cc1)O2 587375868 VRUYTIDINPHUNU-QHCPKHFHSA-N 422.322 5.500 50 1 HKGF N#C[C@H](c1nc2ccccc2s1)[C@@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 587534779 FOJPMQCHPORTLI-HXOBKFHXSA-N 422.937 5.425 50 1 HKGF O=C1c2ccc(O)cc2O[C@@](CCl)(Cc2ccccc2F)[C@@H]1c1ccc(F)cc1 587329331 DOGIODAQOPHWGM-FYYLOGMGSA-N 414.835 5.250 50 1 HKGF C[C@H](Cl)[C@@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587503439 OCRJBNFWHCCICZ-YEJXKQKISA-N 419.746 5.816 50 1 HKGF Cc1cc2c(cc1F)[C@](CCCCCCl)(c1ccccc1C(F)(F)F)NCC2 962143735 IURJYAXBMUAURP-NRFANRHFSA-N 413.886 6.341 50 1 HKGF C[C@H](CC=CC(C)(C)OO)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356456851 SISZKTSVHKUZKL-ZHHJOTBYSA-N 416.646 6.777 50 1 HKGF C/C(C=O)=C\CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COC(=O)/C(C)=C/C(=O)O 14654666 AOJDLUWCHJXNCH-SDWHTVMGSA-N 416.558 5.885 50 1 HKGF CCC/C=C(\CCC)[C@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1 42889682 CCPGBBCLTGSJJF-JCXLJCJISA-N 417.533 6.773 50 1 HKGF CC(C)(C)c1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)c(O)c(C(C)(C)C)c1 299860415 JGWCMQJLOVTMOG-DHRITJCHSA-N 416.949 5.170 50 1 HKGF Cc1ccc(/C=C(\C#N)c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc1 587188093 NIOQVIXUCOOICG-WUXMJOGZSA-N 422.204 5.597 50 1 HKGF COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2c1cc(C)cc(S(F)(F)(F)(F)F)c1 963577783 DZBOKEAICSVBJN-HXPMCKFVSA-N 423.447 6.293 50 1 HKGF CC(=O)O[C@]1(C)CC[C@H]2C[C@H]1OO[C@]2(/C=C\c1ccc(Cl)cc1)c1ccccc1 299849774 VPMHPVYGIYMHSO-JESBUHKFSA-N 412.913 5.701 50 1 HKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(N=C=S)c(Cl)c1 587895782 GVRVMBHCCDQSDK-UHFFFAOYSA-N 409.725 5.092 50 1 HKGF Cc1cc2c(cc1Br)[C@@]1(C)CC[C@@](CI)(O2)[C@H]1C 15216213 GSLUQYUFBYSYQN-LKTVYLICSA-N 421.116 5.011 50 1 HKGF biogenic C[C@]1(CCCCCCCCCCCCc2ccccc2)C[C@@]2(C)OC(=O)C[C@H]2OO1 96086015 CEXBAUGPNZWHBZ-DMTNHVFBSA-N 416.602 6.705 50 1 HKGF in-vitro CCOc1ccccc1[C@@H]1C(C#N)=C(C)N=C2C[C@H](c3ccc(Cl)cc3)CC(O)=C21 103637240 KKQOBLSIWYXZNW-BXKMTCNYSA-N 418.924 6.464 50 1 HKGF CC(C)[Si](OC1=C(C(=O)N(C)c2ccccc2Cl)CCC1)(C(C)C)C(C)C 195355451 ICFXIELSQXSJRJ-UHFFFAOYSA-N 408.058 6.933 50 1 HKGF C[C@@H](c1ccc(CBr)cc1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 586974695 YOCCPYASXBHTEL-ZETCQYMHSA-N 419.632 5.023 50 1 HKGF O=C1C[C@@](CBr)(c2ccc(Cl)s2)Oc2c1ccc1c2CCCC1 587531967 OBUOMBHOJQLQAL-GOSISDBHSA-N 411.748 5.536 50 1 HKGF C[C@]1(c2cccc3nc(CCl)oc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587545853 PUBOAIAPZWZXFA-WMZHIEFXSA-N 421.836 5.149 50 1 HKGF CC(=CCCc1coc(Cc2ccoc2)c1)CCC[C@H](C)CC(=O)[C@@H](O)[C@@H](C)Cl 2356522870 XJDJFTYVYSQNPJ-GLDPYIMESA-N 420.977 6.096 50 1 HKGF CC(=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=O)/C=C/[C@@]12O[C@@]1(C)C[C@@H](O)CC2(C)C 100196039 QZOYIQGWDBXSHB-NLAGSFAWSA-N 408.582 5.958 50 1 HKGF in-vitro Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1C1CC1 587545719 SGKFKTBTRJSMKC-ZJSXRUAMSA-N 423.896 5.241 50 1 HKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc3nc(CCl)oc23)N1 587685449 QUHXGOHTDSRTOW-DGIBIBHMSA-N 423.713 5.266 50 1 HKGF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(CSC#N)c1ccc(Cl)cc1Cl 963643214 ZQENJMSNLHUVCH-FKIZINRSSA-N 423.365 5.003 50 1 HKGF C/C(=C\C/C=C\C#N)[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]2[C@@H](C)CCCC(C)C)[C@@H]1CC(=O)O 13782004 LCJOGGZGFJJACV-GRKMXTDLSA-N 413.646 7.398 50 1 HKGF O=C1c2ccccc2-c2c(CCCl)c(-c3cc(F)ccc3O)nc3cccc1c23 587103171 GDHBFQMPJGNHPI-UHFFFAOYSA-N 403.840 5.739 50 1 HKGF CCc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 587377442 RKADRFMVGUYLNO-RBBKRZOGSA-N 416.901 5.648 50 1 HKGF CCCC(=O)Nc1ccc([C@]2([C@H](C)Cl)c3c(F)cccc3C[C@H]3CCCN32)cc1 963107121 WQUKHPYKPLVQEH-LZBHBKQYSA-N 414.952 5.456 50 1 HKGF COc1cc(/C=C/C#N)cc(Cl)c1Nc1ccnc(Nc2ccc(C#N)cc2)n1 40602048 BGEJODGZJBTSMY-NSCUHMNNSA-N 402.845 5.034 50 1 HKGF CC(=O)N(/N=N/c1ccc(C(F)(F)F)cc1C#N)c1ccc(C(F)(F)F)cc1 101340545 CYGHYTUZBNDFIA-OCEACIFDSA-N 400.282 5.648 50 1 HKGF Cc1cc(F)c([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1F 587722896 UDDJNQWGQUWKFQ-MGNBDDOMSA-N 418.684 5.191 50 1 HKGF CC1(C)CCC[C@]2(C)[C@]1(C)CC[C@]1(C)[C@]3(C)CC=C(C=O)C[C@]3(C)[C@@H](O)C[C@@]12C 2356332328 DXWFDFCYGZYCCS-ZPPXDYSBSA-N 400.647 6.712 50 1 HKGF CC(C)(CCCCCCCCCCC(C)(C)[C@@H](Cl)C(=O)O)[C@@H](Cl)C(=O)O 26171371 KFEFAFFOVIMNLW-HOTGVXAUSA-N 411.410 6.324 50 1 HKGF O=C(Oc1ccc([N+](=O)[O-])cc1)N(SSCc1ccccc1)c1ccccc1 95562298 WYVXFCCBEYRRPH-UHFFFAOYSA-N 412.492 6.097 50 1 HKGF CCCCCCCCOc1cc2nc([C@H](N)CCl)[nH]c2cc1Br 587009729 PKHYKSXPOBKOQZ-CYBMUJFWSA-N 402.764 5.303 50 1 HKGF N#CSC[C@@]1(c2ccccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587609380 VFTIKJZTYBXCHU-UGKGYDQZSA-N 423.877 5.117 50 1 HKGF CCCCCCCCc1ccc(-c2[nH]c3c(C)cc(Cl)cc3c2CCl)cc1 587624040 WPNAVICMUCJNTI-UHFFFAOYSA-N 402.409 8.439 50 1 HKGF CCCCCCC=CCCCCCCCCCC(=O)N(CCCCCC)NC(C)=O 2356799360 UIYMFUDRZVGJFG-UHFFFAOYSA-N 422.698 7.484 50 1 HKGF CCCNc1c(C(=O)O[C@H](C)CC)cnc2c1cnn2C[C@H](Cl)c1ccccc1 13675571 JXEQVCFVYFMHLC-BEFAXECRSA-N 414.937 5.189 50 1 HKGF CCCc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587324811 ADKCIHVFUJNZDH-ILBGXUMGSA-N 424.899 5.977 50 1 HKGF O=C1C[C@H](c2ccc(OCCBr)cc2)Oc2c1ccc1c2CCCC1 587498187 FYZSRZSOMZAZEI-HXUWFJFHSA-N 401.300 5.046 50 1 HKGF COc1ccc(Cl)cc1C#Cc1cccc(CBr)c1OC(F)F 587915616 VAXWTKXUPYKQDH-UHFFFAOYSA-N 401.634 5.245 50 1 HKGF N#C/C(=C\c1cccc2cnccc12)c1c[nH]c2ccc(OCCCN3CCCC3)cc12 1857771863 PLMCAFDJIWDEQZ-PXLXIMEGSA-N 422.532 5.645 50 1 HKGF CC(C)(C)NC(=O)c1ccccc1SSc1ccccc1C(=O)NC(C)(C)C 5885618 NSDOBQVDOKRBRV-UHFFFAOYSA-N 416.612 5.543 50 1 HKGF CC1=C(/C=C/C2=CC=C(C=O)[C@@](C)(/C=C/C3=C(C)CCCC3(C)C)C2)C(C)(C)CCC1 34745740 LOUHCSURLOXKIJ-YXWAASMGSA-N 418.665 8.614 50 1 HKGF C[C@]12CC[C@H]3[C@@H](CC=C4C=C(C#N)CC[C@@]43C)[C@@H]1CCC(=O)N2C(=O)c1ccccc1 95556628 OQNZSWRXDLPUFQ-UAGSZKROSA-N 414.549 5.430 50 1 HKGF FC(F)C(F)(F)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587088998 HODPJEBJMJLRBQ-UHFFFAOYSA-N 423.098 6.340 50 1 HKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCCCCl)cc2)N1 587682463 CKODQUFCIICGFM-CWTRNNRKSA-N 412.730 5.220 50 1 HKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCCCl)(c2ccc(O)cc2)N1 587686765 XHFJMHJAWASUOL-CWTRNNRKSA-N 412.730 5.091 50 1 HKGF COc1ccc([C@H]2CC3=NC(C)=C(C#N)[C@@H](c4ccc(N(C)C)cc4)C3=C(O)C2)cc1 19761101 AEKCTCJZGUGATJ-UQBPGWFLSA-N 413.521 5.487 50 1 HKGF N#C/C(=C/c1ccc(Cl)c(Cl)c1)CNC(=O)Nc1ccc(Cl)cc1Cl 40565415 LUALWXQRYFNBOS-WZUFQYTHSA-N 415.107 6.029 50 1 HKGF CCCCCCCCCCCCCCC[C@H](I)CC(=O)O 102184666 DJFRHANNURBCFM-KRWDZBQOSA-N 410.380 6.746 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(C(C)(C)C)cc1)([C@@H](C)Br)O2 587372531 JOOAWPBNPRISTM-JLCFBVMHSA-N 416.359 5.519 50 1 HKGF O=C1C[C@H](c2ccccc2OCCBr)Oc2c1ccc1c2CCCC1 587498192 FZKNPMABQPBRAA-HXUWFJFHSA-N 401.300 5.046 50 1 HKGF COc1ccc2cc(-c3cccc(CBr)c3)cc(CCNC(C)=O)c2c1 40952091 RAMUUOBCITZZIE-UHFFFAOYSA-N 412.327 5.089 50 1 HKGF in-vitro Cc1cc(C)c([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 587689532 UCWJNOFNXDVSCU-VLIAUNLRSA-N 410.758 5.530 50 1 HKGF COc1ccc(N(C)c2cc(C)nc3ccccc23)cc1NC(=O)CCCCCl 1857760113 SRPSUROAJUAANF-UHFFFAOYSA-N 411.933 5.667 50 1 HKGF O=C(NNc1ccccc1F)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 28641391 NMMLFZAMFXVMST-UHFFFAOYSA-N 415.512 5.599 50 1 HKGF O=C(CCCCCCc1ccccc1)c1ncc(CCCCCBr)o1 103239584 BLVWVEPJLJHTQX-UHFFFAOYSA-N 406.364 6.158 50 1 HKGF C[C@@H]1CC[C@@H]2[C@@H](CCCc3ccc(Cl)cc3)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]32OO4 195293212 PVKNOCBVDQYQDN-GDTWSAHFSA-N 420.933 5.051 50 1 HKGF CC(C)=C1CC[C@H]2C(=CC[C@H]3[C@](C)(C(=O)Oc4ccc([N+](=O)[O-])cc4)CCC[C@]23C)C1 238752632 DCAYWUICMGOWKB-BKJQLSFMSA-N 423.553 6.780 50 1 HKGF Cc1cc(C)c([C@]2([C@H](C)Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C 587541275 ALPIFMSFPGCQES-JCNMPKRYSA-N 422.908 5.802 50 1 HKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(C2CCCCC2)N1 587674599 XZZRRJOZQDJWFN-GTNSWQLSSA-N 419.176 5.293 50 1 HKGF Cc1[nH]c(C(=O)[C@@H](C)Cl)c(C)c1[C@@]1(C)NCCc2cccc(-c3ccccc3)c21 962658209 CFVVXDRMLIXWLS-PUAOIOHZSA-N 406.957 5.518 50 1 HKGF C[C@H](CCCCC=CCCC=Cc1ccccc1)C[C@@]1(C)C[C@@](C)(CC(=O)O)OO1 2356514328 CRORVGKIBBBYNQ-ZSQFBXSQSA-N 414.586 6.967 50 1 HKGF CCCCC[C@@H](O[Si](C)(C)C)[C@@H](CC=CCCCCCCCC(=O)OC)OC 2356534541 MFAQJJHSPYTDNA-FGZHOGPDSA-N 414.703 6.652 50 1 HKGF CCCCCCC[C@H](C)CC[C@@H](C)C(=O)OC=C[C@H](Br)OC(C)=O 2356655665 JZGQWWKTVUYPPC-LZLYRXPVSA-N 405.373 5.740 50 1 HKGF C=C(c1ccc2c(c1)Cc1ccccc1-2)[C@H]1COC2(OO1)C1CC3CC(C1)CC2C3 43552580 BPJSBHZOGUVMEE-FTQWSXFTSA-N 400.518 5.770 50 1 HKGF CC1=C2CC[C@](C)(Cl)[C@@H](Br)C[C@]2(C)[C@@H](C)[C@@H](Br)[C@@H]1O 85772400 YLAQAFYQJBFDON-MAMMZNRUSA-N 414.609 5.028 50 1 HKGF N#CC1=C(c2ccccc2)C[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)c2ccccc2)C1=O 102957240 JBRASADWXDKCLJ-VWNXMTODSA-N 411.888 5.873 50 1 HKGF COc1cccc2c3c(cnc12)CCN[C@]3(CCCCCCCl)c1cccc(C)c1 963057175 MHVJVKJOMCYVRV-AREMUKBSSA-N 423.000 6.130 50 1 HKGF O=C(Nc1cccnc1)c1ccccc1OCc1ccccc1OCCCCCCl 1857603576 OTOIEQWNDUQHAU-UHFFFAOYSA-N 424.928 5.701 50 1 HKGF C=C(C)[C@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2[C@@]34C=C[C@@]5(C[C@H](O)CC[C@]5(C)C3=CC[C@@]12C)OO4 2356774291 UUHVMJGTJKDDFG-LOSRKIANSA-N 424.625 6.314 50 1 HKGF C[C@@H]1C(=O)[C@H](C)[C@H](c2ccc(Cl)cc2)N(C(=O)CCl)[C@@H]1c1ccc(Cl)cc1 103294583 WAYLNDLLDJXKOC-VUIMYGBESA-N 424.755 5.698 50 1 HKGF O=C1C[C@H](c2cccc(OCCBr)c2)Oc2c1ccc1c2CCCC1 587498015 FCADTLOPAOAPCE-HXUWFJFHSA-N 401.300 5.046 50 1 HKGF COc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1CCl 587682681 DFTGKPZXJKKNAG-JEOXALJRSA-N 412.730 5.133 50 1 HKGF C#CCCCCCCCC=CC#CCCC[C@@]1(OC)CC[C@H](CC(=O)OC)OO1 2356666856 FWBUUZZBAIZTSB-VWNXMTODSA-N 404.547 5.097 50 1 HKGF CC1(C)C(Br)=C[C@@H](Br)[C@]2(C)O[C@@H]3C[C@@]12CC[C@]3(C)Cl 2356823357 GLXCOLJSTQUWKV-MFHWUAJNSA-N 412.593 5.394 50 1 HKGF C[C@H](c1ccc(CBr)cc1)c1nc2ccc(Br)c(O)c2[nH]1 586973311 HFLDKQMMEQTSDO-SECBINFHSA-N 410.109 5.078 50 1 HKGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1F 587338571 XNMJMXXOLVEAJR-JTHBVZDNSA-N 414.835 5.472 50 1 HKGF CCOc1ccc([C@]2([C@@H](C)Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587541341 BDHYCQHKCLHOJN-SJODRWRQSA-N 424.880 5.275 50 1 HKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCCl)c1ccc(F)cc1F 587567100 DKOCQSXAGUMHPX-SIKLNZKXSA-N 416.807 5.156 50 1 HKGF CC[C@H](C)c1ccc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587685883 BPBRGMQUVGHLPL-RXSFTSLZSA-N 424.785 6.118 50 1 HKGF C[C@H](Br)[C@]1(c2ccccc2)c2ccsc2CCN1Cc1ccco1 962701920 FHEKOGQKINENAZ-YWZLYKJASA-N 402.357 5.426 50 1 HKGF C=C(CC[C@H](O)c1ccc(Cl)cc1)[C@H]1COC2(OO1)C1CC3CC(C1)CC2C3 14176236 GLPSNSCSGRSQHK-KVVRTBIRSA-N 404.934 5.209 50 1 HKGF O=C(NNC1CCCCC1)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 28642130 VBXQKWOYNJUMBZ-UHFFFAOYSA-N 403.570 5.270 50 1 HKGF CCCCCCCCCCCCCCCCNc1ccc(C(=O)NNC(C)=O)cc1 43599214 GFRGOTAFESFYLK-UHFFFAOYSA-N 417.638 6.361 50 1 HKGF CC(C)=CCC[C@H](C)C/C=N/NC(=O)CCCCCCC(=O)Nc1ccccc1O 95809372 ALUIXCPIYNPUHI-HBTCSRNFSA-N 415.578 5.546 50 1 HKGF FS(F)(F)(F)(F)c1ccc2nc(-c3coc(C#Cc4ccccc4)c3)[nH]c2c1 586900717 FBSNBXDWZIMEPG-UHFFFAOYSA-N 410.367 6.880 50 1 HKGF BrCc1[nH]c2c(c(Br)cc3n[nH]cc32)c1Cc1ccccc1 587620860 IKKQASWLXDZNIW-UHFFFAOYSA-N 419.120 5.292 50 1 HKGF CCOC(=O)c1c(CBr)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587626570 SUGRSXNOSIZRLW-UHFFFAOYSA-N 418.131 5.277 50 1 HKGF CCn1c(C)cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587690161 ZRGQTXUZVDZTIG-WYRIXSBYSA-N 413.762 5.043 50 1 HKGF CCCCCOc1ccc(C#Cc2cc(Cl)ccc2OC)cc1CBr 587898272 HUJWNPOWUXUFKL-UHFFFAOYSA-N 421.762 6.212 50 1 HKGF Cc1c(C)c2c(c(C)c1O)CC[C@](C)(CNC(=O)CCCC[C@H]1CCSS1)O2 45386041 BDRIOSNEDHVQNW-HTAPYJJXSA-N 423.644 5.231 50 1 HKGF CC1(C)[C@H](Br)C[C@@H]2O[C@]2(C)[C@@]12CC[C@](C)(Cl)[C@@H](Br)C2 169654009 XHGHPMZGEBNXLW-MIEIIINRSA-N 414.609 5.269 50 1 HKGF CCCCCC[C@@]1(CBr)N[C@H](C)Cc2ccc(F)c(Br)c21 587672412 FUNSHCNLDYCRNA-PXAZEXFGSA-N 421.192 5.683 50 1 HKGF Cc1cc(C)c([C@]2([C@H](C)Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C 587687113 FLSBOCPNOCGMEV-GXZWQRSESA-N 424.785 5.919 50 1 HKGF C=C1C[C@H](OC(=O)c2ccccc2)[C@@H]2[C@](C)(CO)CCC[C@]2(C)[C@H]1CCC(C)=CC=O 2356482290 IQFDAOLIRBRVJU-JEDUSWOHSA-N 424.581 5.519 50 1 HKGF C=C(CC/C=C\C=O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C 255236204 MQEYELVNMAGBIE-JAANWOSWSA-N 424.669 7.332 50 1 HKGF Cc1cc(C)c([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)c1 587328904 WNWNYBTZATUUID-ZCYQVOJMSA-N 424.899 5.950 50 1 HKGF C[C@H](Cl)[C@]1(c2ccccc2)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962627670 HJNUHMZQIBSUIB-KHMOSXFSSA-N 402.969 5.304 50 1 HKGF FC(F)(F)c1cccc2c1[C@@H](c1cc(CCl)cs1)NCC21CCOCC1 962963496 VZTWMCFQDMYVFB-QGZVFWFLSA-N 401.881 5.247 50 1 HKGF COC(=O)[C@H](C)[C@@H]1CC[C@](C)(CC[C@]2(C)[C@H](C)CC[C@]3(C)C(C)=CCC[C@@H]32)OO1 2356619651 ODANAQMVYMSWBA-MGBGZUSRSA-N 406.607 6.244 50 1 HKGF C=C(C)[C@@H](CCC(C)=CCOc1c2occc2c(OC)c2ccc(=O)oc12)OO 2356445840 QQMDGBRVBLDRAM-QGZVFWFLSA-N 400.427 5.087 50 1 HKGF Cc1cc(/C=C(\C#N)c2nc3cccnc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587056348 PJHUPAFSHNCXCZ-XNTDXEJSSA-N 408.292 5.736 50 1 HKGF COc1cccc(-c2cc([C@@H](Br)C(C)=O)nc3c2oc2ccccc23)c1 587360763 PTVQNLUONXWRTP-IBGZPJMESA-N 410.267 5.682 50 1 HKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCCl)c1ccc(F)cc1F 587567099 DKOCQSXAGUMHPX-KNQAVFIVSA-N 416.807 5.156 50 1 HKGF CCOc1ccc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587686996 YJPRURNFALKBHW-HXPMCKFVSA-N 412.730 5.004 50 1 HKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)s1 587846610 VAHVHVUDZRNGFF-XLFHBGCDSA-N 402.760 5.283 50 1 HKGF F[C@@H](Br)C(F)(F)Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 28218394 ZXVHYSBRRKVZLY-OAHLLOKOSA-N 413.262 6.119 50 1 HKGF C/C(=C\CCc1coc(Cc2ccoc2)c1)CCC[C@H](C)CC(=O)[C@H](O)[C@@H](C)Cl 34363966 XJDJFTYVYSQNPJ-LMRJNFQMSA-N 420.977 6.096 50 1 HKGF Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccon1 587499984 XBIVZMOAPIBPAQ-HSZRJFAPSA-N 410.901 5.060 50 1 HKGF Cc1cc(C)c([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1C 587688728 NMVOZQMXYMGUCK-LRTDBIEQSA-N 424.785 5.838 50 1 HKGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](CBr)(c2ccccc2SC)N1 962949657 QDCKMWRXTDIDBQ-SPLOXXLWSA-N 415.400 5.453 50 1 HKGF CC(C)(C)[Si](C)(C)OC[C@H]1OC(=O)C[C@@H]1C1(c2ccccc2)SCCCS1 1857642375 JRLITOPOELSBFM-ZWKOTPCHSA-N 424.704 5.663 50 1 HKGF CC1(C)[C@@H](Br)CC[C@@]1(C)[C@@]1(O)CC[C@](C)(Cl)[C@@H](Br)C1 138553818 JJIDHOHXEQUISB-XSXPHNMFSA-N 416.625 5.252 50 1 HKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(C2CCCCC2)N1 587674597 XZZRRJOZQDJWFN-APPDUMDISA-N 419.176 5.293 50 1 HKGF Oc1cc(C[C@@]2(CCl)NCCc3cc(-c4ccccc4)ccc32)c2ccccc2n1 962671705 UNGAJEQJRJZXTI-SANMLTNESA-N 414.936 5.430 50 1 HKGF CC(C)=CCCC(C)=CCCC(C)=CCCC(C=O)=CC[C@@H](O)[C@@H]1CC(=O)OC1=O 2356418750 VMRVXHUEJXPHNA-XZOQPEGZSA-N 416.558 5.152 50 1 HKGF COc1ccc2nc3ccccc3c(NCCCCN(CCCl)CCCl)c2c1 5722576 PAYUWWLGFQGQKQ-UHFFFAOYSA-N 420.384 5.368 50 1 HKGF C=C(c1cccc2ccccc12)C1CCC2(CC1)CO[C@@H](Nc1ccccc1)OO2 64446728 NPHIEIQZWXXRNA-XXBILOIISA-N 401.506 6.156 50 1 HKGF CC(C)COc1ccc2c(=O)cc([C@@H](C)Br)oc2c1CBr 82156785 GXIDNUNACIIZFR-SNVBAGLBSA-N 418.125 5.179 50 1 HKGF COc1ccc2nc(-c3nc4cc(S(F)(F)(F)(F)F)ccc4[nH]3)sc2c1 587034851 ICLCDLFKCJVZBS-UHFFFAOYSA-N 407.389 6.506 50 1 HKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ccc(F)c(Cl)c1 587558728 TUPSOIDKQQEUBS-RXVVDRJESA-N 419.235 5.281 50 1 HKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(CBr)cc2)N1 587672174 DNCWFUZTHGWCGI-QGHHPUGFSA-N 413.128 5.107 50 1 HKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2cccc3cc[nH]c23)N1 587683603 HRJAOBGDQLBDTM-WLRWDXFRSA-N 407.714 5.086 50 1 HKGF COc1ccc([C@@H](O)[C@H](C)c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 587938375 VVGLRBKWOBQUIV-QFYYESIMSA-N 408.392 6.066 50 1 HKGF C/C(=N\NC(=O)Nc1nc2ccc(CN3CCC(C)CC3)cc2s1)c1ccccc1 1857617616 RMTFMCTZTPBRLP-YZSQISJMSA-N 421.570 5.074 50 1 HKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(-c3ccccn3)c1C)CC2=O 587459362 IDGZBEANZJKCPQ-XMMPIXPASA-N 424.928 5.247 50 1 HKGF Cc1cc(C)c(C)c([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587688270 KOHGHVPXJBYMGF-LRTDBIEQSA-N 424.785 5.838 50 1 HKGF C[C@H](C(=O)O)[C@@H]1CC[C@@](C)(CC[C@@]2(O)[C@H](C)CC[C@@]3(C)C(C)(C)CCC[C@@]32C)OO1 44430937 XDZGQQRZJDKPTG-HBNQUELISA-N 424.622 5.740 50 1 HKGF Cc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 587379323 XXWXCXDNWAGEGP-TZIWHRDSSA-N 402.874 5.394 50 1 HKGF C[C@@]1(c2cccc3nc(CCl)oc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587545852 PUBOAIAPZWZXFA-CVDCTZTESA-N 421.836 5.149 50 1 HKGF CCCCc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587547240 ZMBXXDBPMXQESQ-DHLKQENFSA-N 422.908 5.831 50 1 HKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H](Cl)c2ccc(F)cc2)N1 587735526 QFSFZXJLNHKLLU-YZOQQBSESA-N 400.694 5.457 50 1 HKGF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](OO)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 85478948 KJIGLXGIVLBXCF-RVOWOUOISA-N 418.662 6.857 50 1 HKGF CCOC(=O)CNc1ccc(-c2nc3cc(S(F)(F)(F)(F)F)ccc3[nH]2)cc1 587223718 DRJBIPJMGQFWRS-UHFFFAOYSA-N 421.391 5.862 50 1 HKGF Cc1cc([C@]2(CCCCl)c3cccc(F)c3CCN2[C@@H]2CCSC2)ccc1F 962693792 DGGQKHZBMBUAJO-WZONZLPQSA-N 421.984 5.899 50 1 HKGF Cc1nnc(NNC(=O)N(c2ccccc2)c2ccccc2)cc1Cc1ccccc1 26189973 YJBXLAPJNGALSS-UHFFFAOYSA-N 409.493 5.251 50 1 HKGF CC(C)[C@H]1CC[C@@]2(C)[C@@H]1CC[C@@]1(C)[C@@]2(C)CC[C@H]2[C@@H]3CCC=C(C=O)[C@@]3(C)CC[C@]21C 255261643 QUGNUGVPSFQDGD-JWTATNJWSA-N 424.713 8.233 50 1 HKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1c(Cl)ccc(F)c1Cl)CC2=O 587465292 GUTLCOWMPFRIRS-IBGZPJMESA-N 417.691 5.890 50 1 HKGF COc1ccc([C@@H](O)[C@@H](C)c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 587938373 VVGLRBKWOBQUIV-HWPZZCPQSA-N 408.392 6.066 50 1 HKGF CC(C)CC=C[C@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]23C=C[C@@]2(C[C@@H](O)CC[C@]12C)OO3 2356421028 WISOACODKWCRQK-DAAQRKQUSA-N 414.630 6.228 50 1 HKGF O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc([C@@H](Cl)CCl)[nH]c12 587007602 GSAMXLWIYCFULZ-NSHDSACASA-N 420.193 5.492 50 1 HKGF NC[C@@H](Cc1ccc(Cl)cc1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587068576 ABHATMNVAQHRPY-LLVKDONJSA-N 411.827 6.159 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1sc3ccccc3c1C)O2 587414233 RVCFMZAUEKQTMW-HXUWFJFHSA-N 416.340 5.356 50 1 HKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(CBr)c2)N1 587672455 FYLSVLHDTGHCJC-BTDLBPIBSA-N 413.128 5.107 50 1 HKGF CSc1ccc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587846733 REMAUQTVAZISQX-ZMZPIMSZSA-N 414.771 5.327 50 1 HKGF COC(=O)N(NC(=O)c1c(C)c(-c2ccccc2)nc2ccccc12)c1ccccc1 36311305 CZSYFIONYJKUAK-UHFFFAOYSA-N 411.461 5.128 50 1 HKGF COc1cc2c3c(c1)O[C@](c1cc(C)n(-c4ccccc4)c1C)([C@H](C)Cl)[C@@H](C2)C3=O 587418721 UZYCKWGEBFYEPE-YVPSIOQSSA-N 421.924 5.373 50 1 HKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c(C)c1C 587689547 UGDXNVURUOWQAP-LAJNKCICSA-N 424.785 5.838 50 1 HKGF C=C1CCCC(C)(C)[C@@]1(O)CC/C(C)=C/CC[C@]1(C)CC[C@H]([C@@H](C)C(=O)OC)OO1 42921337 RZBOFZRCMWQHOO-RKQAIKRXSA-N 422.606 5.669 50 1 HKGF C=C1C[C@H](O)[C@H](Br)C(C)(C)[C@]12CC[C@](C)(Cl)[C@@H](Br)C2 140210130 KKDUTGUFMQDATD-YLXLXVFQSA-N 414.609 5.028 50 1 HKGF CC(=O)Nc1ccc(Cl)c(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1 587049953 KMBPBDOMFBCHLO-UHFFFAOYSA-N 411.783 6.499 50 1 HKGF CC(C)C(=O)Nc1ccc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587499306 SDVGOZCAFQAPQM-DEOSSOPVSA-N 411.929 5.259 50 1 HKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc3c(c2)CCC3)N1 587687077 YQTPENCVGVFWRQ-YUNKPMOVSA-N 408.742 5.094 50 1 HKGF CCC[C@@]1(c2ccccc2)OC(c2cc3ccccc3o2)=C(C#N)[C@@H]1c1ccccc1 103295340 YIZGRTPEGLFSQI-XCZPVHLTSA-N 405.497 7.177 50 1 HKGF O=C(CSc1nnc(-c2cccc(N=C=S)c2)o1)c1ccc(Cl)cc1Cl 73196175 XKJKBVISAQEWKQ-UHFFFAOYSA-N 422.318 5.753 50 1 HKGF C=C(C=O)[C@H]1C[C@]2(C)C(=CC1=O)[C@@H](OC(=O)CCCCCCCCC)CC[C@H]2C 139604363 STMJKOIBKJGTDP-MLNLTJHKSA-N 402.575 5.746 50 1 HKGF CC1(C)[C@@H]2CC[C@@]1(C)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)[C@H]2Br 587496887 AOABHWMJRNVGPB-DGEVVOEJSA-N 403.360 5.489 50 1 HKGF Cc1[nH]c2ccccc2c1[C@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21 587681777 AQZKHCVMTMUVKV-GIPWTMENSA-N 421.741 5.395 50 1 HKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(c1)[C@@H](Cl)CCC2 587885015 WWQRIMOIPLENLB-IBGZPJMESA-N 406.740 5.320 50 1 HKGF C/C(=C/CC[C@@H](C)CC(=O)[C@@H](O)[C@@H](C)Cl)CCCc1coc(Cc2ccoc2)c1 34363972 WHSPRQDLSQTWAX-AARLZJNESA-N 420.977 6.096 50 1 HKGF CC1(C)C(Br)=C([C@@H](Cl)CBr)CC[C@@H]1Br 43382123 CYZCHHADPFRZIU-YUMQZZPRSA-N 409.387 5.221 50 1 HKGF biogenic ClC1=C(Cl)[C@@]2(Cl)[C@H]3[C@H](Cl)[C@H](Cl)C[C@H]3[C@@]1(Cl)C2(Cl)Cl 100074633 BIWJNBZANLAXMG-IJOSQCBESA-N 409.782 5.683 50 1 HKGF in-vitro O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc([C@H](Cl)CCl)[nH]c12 587007511 DQJMGQFITARETJ-GFCCVEGCSA-N 402.203 5.353 50 1 HKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)C1CCC(F)(F)CC1 587554124 HHJXICAWQQJDIT-UTKZUKDTSA-N 408.828 5.157 50 1 HKGF Cc1cc(N=C=S)cc(C)c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587897005 SNUORVWCKCDUQA-UHFFFAOYSA-N 403.334 5.055 50 1 HKGF N#CC(=C1CCCCC1)c1nc(-c2c(-c3ccc(F)cc3)[nH]c3ccccc23)cs1 587922352 BODFPGBCXNRXCT-UHFFFAOYSA-N 413.521 7.339 50 1 HKGF N#CC1=C(N)Oc2c(ccc3ccccc23)[C@H]1c1ccc(S(F)(F)(F)(F)F)cc1 1857589851 CISUNEDRLUOYCJ-GOSISDBHSA-N 424.394 6.715 50 1 HKGF N#C/C(C(=O)Nc1ccc(C(F)(F)F)cc1)=C(/O)Cc1ccc(C(F)(F)F)cc1 59034457 XVSWCKHTRYEEHJ-NXVVXOECSA-N 414.305 5.241 50 1 HKGF CC1=C(C#N)[C@H](c2ccc(OCc3ccc(Cl)cc3)cc2)C2=C(O)CCCC2=N1 104016030 JTCMPDSCWSJIRB-QHCPKHFHSA-N 404.897 6.251 50 1 HKGF NC1CCC(c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)CC1 587256434 IUQWMAAGRITBOQ-UHFFFAOYSA-N 420.245 5.968 50 1 HKGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2cccc(Cl)c2)[C@H]1c1ccc(F)cc1 587328466 URDWZNZTVBBKAO-UNMCSNQZSA-N 417.263 5.678 50 1 HKGF COC(=O)C(C)(C)c1ccc([C@]2(CCCCl)NCCc3c2sc(C)c3C)cc1 963015599 BVZWADPJYOXWLI-QHCPKHFHSA-N 420.018 5.224 50 1 HKGF C=C(Br)[C@@](C)(Br)CC[C@@H](Br)C(C)(C)Cl 1637282 ORSDYIOUHDVWAO-SCZZXKLOSA-N 411.403 5.610 50 1 HKGF C=C(c1ccc2ccccc2c1)[C@@H]1COC2(CCC(=C(C)C(=O)OCC)CC2)OO1 43523945 CJCCLDDOQRWWSG-LFQPHHBNSA-N 408.494 5.350 50 1 HKGF O=C1c2ccccc2-c2c(CCCl)c(-c3cc(F)ccc3O)nc3ccc(O)c1c23 586988571 MKNVCKUDCYCBBR-UHFFFAOYSA-N 419.839 5.445 50 1 HKGF FC1(c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)CCCCC1 587132263 OPXSFKDDOFPBEG-UHFFFAOYSA-N 423.220 7.112 50 1 HKGF O=C(Nc1ccc(N=C=S)cc1)Nc1cccc(-c2cccc(N3CCCC3)n2)c1 653695837 UPBABYTUWFYDNC-UHFFFAOYSA-N 415.522 5.727 50 1 HKGF ClCCCCCC[C@@]1(c2ccccc2)c2ccsc2CCN1Cc1ccco1 962706448 LYCWJVOLXZZWOR-XMMPIXPASA-N 414.014 6.832 50 1 HKGF O=CC1=C(SC2CCCCC2)c2sc3nc4n(c(=O)c3c2CC1)CCCCC4 45320250 NWAPSCLFPKXCMK-UHFFFAOYSA-N 414.596 5.107 50 1 HKGF CCCCC[C@@H](/C=C/C=C\C/C=C\C/C=C\CCCC(=O)NCCCC(=O)O)OO 535385352 MGNPEOZYWFYMNH-ORLNMRMGSA-N 421.578 5.581 50 1 HKGF in-vitro Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(C)c(Cl)c1)([C@@H](C)Br)O2 587376407 XLPGTKAAFXECRJ-CWTRNNRKSA-N 408.723 5.183 50 1 HKGF CCO/C(C)=C(\C#N)c1nc(-c2c(-c3ccc(F)cc3)[nH]c3ccccc23)cs1 587923191 UFJMAIBXPDRHGL-NBVRZTHBSA-N 403.482 6.389 50 1 HKGF N#C/C(=C\c1ccc(Oc2ccccc2)c(I)c1)c1ccccn1 40786433 BQWIFXVHBXNNOI-FOWTUZBSSA-N 424.241 5.543 50 1 HKGF C[C@@]1(CC(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)CC2(CCCCC2)OO1 49678941 ULZNMAHBKCSSOV-HSZRJFAPSA-N 413.489 5.438 50 1 HKGF C=C(c1cccc2ccccc12)C1CCC2(CC1)CO[C@H](Nc1ccc(C)cc1)OO2 64453627 XXRSSGVBVXLNCN-NGRVGSHDSA-N 415.533 6.465 50 1 HKGF C=C(c1ccc(F)cc1)[C@H]1OOC2(O[C@@H]1c1ccc(F)cc1)C1CC3CC(C1)CC2C3 95582140 GQDUKKXEJGTLEP-ILBHZYPYSA-N 424.487 6.219 50 1 HKGF C=C1CC/C=C(\C)C[C@H](OC(=O)/C=C/c2ccc(O)cc2)CC(C)(C)C[C@H]1OO 238773814 ZDRHNSQPEYXBDI-WTMSQBEASA-N 400.515 5.668 50 1 HKGF CCCc1c(O)ccc2c1O[C@](CSC#N)(c1ccccc1C(F)(F)F)CC2=O 587461555 NFZZUIIKSQKOMQ-HXUWFJFHSA-N 421.440 5.438 50 1 HKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(Cc2ccccc2Cl)N1 587689801 WIXXDEDGHIEQSN-ZMZPIMSZSA-N 417.149 5.453 50 1 HKGF CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C\C=C(C)\C=C\C=C(/C)C=O)C(C)(C)CCC1 936069648 DFMMVLFMMAQXHZ-SPVXFBBWSA-N 416.649 8.722 50 1 HKGF in-vitro O=C1C[C@@](c2ccccc2)(c2ccc(CCl)cc2)Oc2c1ccc1c2CCCC1 587498918 QOQZPYBCTULQRS-AREMUKBSSA-N 402.921 6.213 50 1 HKGF CC[C@H](Br)[C@]1(c2ccc(Cl)cc2)CC(=O)c2cc(C)cc(N)c2O1 587373639 MPCOKXGZVQDOJG-PKOBYXMFSA-N 408.723 5.265 50 1 HKGF N#C/C=C1/c2ccccc2N=C(N2CCC(O)(c3ccccc3)CC2)c2ccccc21 49590161 HUOKAJDMNXBDBG-HYARGMPZSA-N 405.501 5.017 50 1 HKGF CCCCCC[C@@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587537242 CAFNEBHHWFVWHI-NQIIRXRSSA-N 419.315 5.458 50 1 HKGF C[C@H](CCCCCCC=CC=Cc1ccccc1)C[C@@]1(C)C[C@](C)(CC(=O)O)OO1 2356503368 GBVSDTSXHOBZRG-RZFJZAQRSA-N 414.586 6.967 50 1 HKGF CC(C)(C=C[C@H]1[C@H]2c3c4cc5oc(=O)ccc5c3O[C@@]1(C)CC[C@@H]2C(C)(C)O4)OO 2356649803 ZPVBIQWUZYXRCN-GKEROPHJSA-N 412.482 5.049 50 1 HKGF C[C@H](c1ccc(CBr)cc1)c1nc2ccc(F)c(Br)c2[nH]1 586974660 YDXGVWKECSVKTI-SECBINFHSA-N 412.100 5.511 50 1 HKGF C=CCN1C(=O)S[C@H](Cc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)C1=O 587038492 JOOWDEKGNNXACX-LLVKDONJSA-N 413.393 5.013 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)n(-c3ccccc3F)c1C)O2 587385923 RANVQDHOVZQABR-QHCPKHFHSA-N 412.892 5.223 50 1 HKGF CCCC[C@H](Br)/C=C/C(=O)N(Cc1ccc(Cl)cc1)CC(C)C 103280981 MEHDAXMQVHUETL-KQPPXVQYSA-N 400.788 5.835 50 1 HKGF CC1(C)[C@H]2CC[C@@]1(C)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)[C@@H]2Br 587494932 AOABHWMJRNVGPB-MQYXYMALSA-N 403.360 5.489 50 1 HKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCCCl)(c2ccc(F)cc2)N1 587729014 GIHGGDNNYBTLJT-BLVKFPJESA-N 414.721 5.524 50 1 HKGF CCCCC[C@H](O)c1ccc(N2CC[C@H](Cl)[C@@H]2CC=CCCCC(=O)O)cc1 2356451010 RFCSWTDRMAILIS-FKBYEOEOSA-N 407.982 5.688 50 1 HKGF CC[C@@H](Br)[C@@]1(c2ccc(Cl)cc2)CC(=O)c2cc(C)cc(N)c2O1 587373638 MPCOKXGZVQDOJG-MJGOQNOKSA-N 408.723 5.265 50 1 HKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc3nc(CCl)oc23)N1 587683332 GNPRJTRRXKUCMA-GIGQVBGESA-N 423.713 5.266 50 1 HKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCCCl)(c2cccs2)N1 587847942 NBARXYXHIDXJDQ-APPDUMDISA-N 402.760 5.447 50 1 HKGF Cc1[nH]c(C(=O)[C@H](C)Cl)c(C)c1[C@]1(C)NCCc2cccc(-c3ccccc3)c21 962658208 CFVVXDRMLIXWLS-LMKMVOKYSA-N 406.957 5.518 50 1 HKGF C[C@H](Br)[C@@]1(c2ccccc2)c2ccsc2CCN1Cc1ccco1 962701911 FHEKOGQKINENAZ-MGPUTAFESA-N 402.357 5.426 50 1 HKGF Fc1cccc2c1[C@](CBr)(c1csc3ccccc13)N1CCC[C@@H]1C2 963095203 CMFXLGRPEYCDON-VFNWGFHPSA-N 416.359 5.699 50 1 HKGF C[C@H](CC(=O)[C@H](C)[C@H](C[C@@H](C)C(Cl)Cl)c1nccs1)C(Cl)Cl 2356827390 HQFFUEINDWYIBI-DBIOUOCHSA-N 405.218 6.092 50 1 HKGF CCCCCC[C@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587537244 CAFNEBHHWFVWHI-WIYYLYMNSA-N 419.315 5.458 50 1 HKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C[C@H](Br)c1ccccc12 587542429 HDKMGEAQNYRTHC-XWFZLUIHSA-N 423.262 5.089 50 1 HKGF NC[C@H](CCl)Oc1ccccc1C=C1c2ccccc2-c2ccc([N+](=O)[O-])cc21 1857548438 CVXPJQVYAFQWGY-KRWDZBQOSA-N 406.869 5.109 50 1 HKGF C[C@H](Cl)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 84669791 JSNOWBZPUCKUDO-GAEAECKMSA-N 407.082 7.360 50 1 HKGF CC(C)=C/C(C=O)=C(\C)CCC/C(C)=C/CC[C@]1(C)CCc2cc(O)cc(C)c2O1 14691432 VYQSISDGHVLRPS-VIVBUFDOSA-N 410.598 7.163 50 1 HKGF N#C/C(C(=O)c1ccc(C(F)(F)F)cc1)=C(/S)Nc1ccc(C(F)(F)F)cc1 40476742 QMUUMSSTFKXJRW-PEZBUJJGSA-N 416.346 5.684 50 1 HKGF CC(C)[Si](OCC/C=C/[C@H]1CCC(=O)[C@@H]1[C@@H](O)C1CCCCC1)(C(C)C)C(C)C 195480452 AIFDEPAJGQREQC-ZQEIJNNWSA-N 422.726 6.661 50 1 HKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(CBr)c2)N1 587672458 FYLSVLHDTGHCJC-QGHHPUGFSA-N 413.128 5.107 50 1 HKGF Cc1cc(C)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1CCl 587682933 FBWQHLPKNTUASX-ZSEKCTLFSA-N 424.785 6.050 50 1 HKGF CCn1c(C)cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587686652 DEVXOKLZDWYZLO-NSPYISDASA-N 413.762 5.043 50 1 HKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)([C@@H](C)Cl)N1 587731900 LYZMWCMBAUPGLG-PJYBLOJUSA-N 400.694 5.132 50 1 HKGF CC=CCCCCCCCCCCCCC[C@@]1(OC)C=C[C@@H](CC(=O)OC)OO1 2356806693 VWCFIIQGQOPFRB-UPVQGACJSA-N 410.595 6.426 50 1 HKGF CCCCCCCC/C=C\CCCCCCCCCCCC(=O)NCCCl 66075166 LLFFGQRDGCWTBS-KTKRTIGZSA-N 400.091 7.939 50 1 HKGF C[C@]1(c2cccc(N=C=S)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587378741 WIRUKCYJYQRVJU-JTHBVZDNSA-N 405.450 5.540 50 1 HKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCCl)(c2ccc(Cl)cc2)N1 587683252 GBHCTSVSBJGUGD-VOJFVSQTSA-N 417.149 5.648 50 1 HKGF C[C@H](Cl)[C@]1(c2c[nH]c3ccccc23)N[C@H](C)Cc2ccc(F)c(Br)c21 587686947 DORLUAGOJAKJOG-XAAFQQQXSA-N 421.741 5.475 50 1 HKGF COc1ccc(/C=C/[C@@](C)(/C=C/c2ccc(O)c(/C=C/C#N)c2)CCC=C(C)C)cc1 1772588278 UTULJSNUDZKLQX-QTUSUHFTSA-N 413.561 7.417 50 1 HKGF C=C(C)C1=CC2=CC[C@H]3[C@@](C)(CCC[C@@]3(C)C(=O)Oc3ccc([N+](=O)[O-])cc3)[C@@H]2CC1 2356849047 BHHOISVHWJKJHR-MFYWSIJSSA-N 421.537 6.556 50 1 HKGF C[C@@H]1C(=O)C[C@@H](c2ccc(Cl)cc2)N(C(=O)CCl)[C@H]1c1ccc(Cl)cc1 103295218 VVZGLJDDTMRIBU-GIJMVEMTSA-N 410.728 5.452 50 1 HKGF O=C1c2ccc(O)cc2O[C@](CCl)(Cc2ccccc2F)[C@@H]1c1ccc(F)cc1 587329334 DOGIODAQOPHWGM-GGAORHGYSA-N 414.835 5.250 50 1 HKGF CC(C)c1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587542242 GKFMQUNOTLGMHX-URXFXBBRSA-N 408.881 5.612 50 1 HKGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](CCCl)(c2ccc(C3OCCO3)s2)N1 962952694 VNOHMIRXNZDYNC-PEBXRYMYSA-N 416.974 5.072 50 1 HKGF C[C@@H]1CC[C@H](Br)C(C)(C)[C@]12CC[C@](C)(Cl)[C@H](Br)C2 2356753102 SJRIJFXUBVGUEG-MIBAYGRRSA-N 400.626 6.137 50 1 HKGF C[C@@H](CC(=O)N(C)[C@H](C[C@H](C)C(Cl)Cl)c1nccs1)C(Cl)Cl 140559290 JRFXZSKOZMIYDX-LPEHRKFASA-N 406.206 5.302 50 1 HKGF COc1ccc([C@]2(CCCCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587546903 YVAQQQUYNODCAD-URXFXBBRSA-N 424.880 5.277 50 1 HKGF C[C@H](CCCCCCC=Cc1ccccc1)C[C@@]1(C)CC[C@@](O)(CC(=O)O)OO1 2356332532 FQNCIZGCBWUVSG-HUVFLSCGSA-N 404.547 5.731 50 1 HKGF C[C@@H]1CC[C@@H]2[C@@H](CCCc3ccc(Cl)cc3)C(=O)O[C@H]3O[C@@]4(C)CC[C@@H]1[C@@]32OO4 195293242 PVKNOCBVDQYQDN-DBFXGRPDSA-N 420.933 5.051 50 1 HKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(Cl)s1)CC2=O 587493764 HTGVKUIIUDRPTE-KRWDZBQOSA-N 415.736 5.315 50 1 HKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1sccc1Cl)CC2=O 587496323 WCBDPFDCKYJXBS-QGZVFWFLSA-N 415.736 5.315 50 1 HKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCCCl)(c2ccc(F)cc2)N1 587729017 GIHGGDNNYBTLJT-BUXKBTBVSA-N 414.721 5.524 50 1 HKGF CC(=O)CCCC(C)(C)C(=O)CCC(C)=CCC[C@]1(C)CC[C@@H]([C@H](C)C(=O)O)OO1 2356409822 UCWHHFGTUDDROG-MZLICYQSSA-N 424.578 5.438 50 1 HKGF CC(C)=CCC/C(C)=C\C=C\C(C)=C\C=C\C(C)=C\C=C\C=C(C)/C=C/C=C(\C)C=O 13371267 AQXFMDSHWVVBIM-CUKPWAEMSA-N 416.649 8.888 50 1 HKGF endogenous,in-man O=C1c2ccc(O)cc2O[C@]2(CCCCC[C@H]2Br)[C@H]1c1ccc(F)cc1 587321767 FHQUOUVTLKGBFI-DYXWJJEUSA-N 419.290 5.357 50 1 HKGF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C(=O)[C@H](Br)CC3)c1 587358271 QRWNGEILTUJYOI-MRXNPFEDSA-N 422.278 5.549 50 1 HKGF CCCc1c(O)ccc2c1O[C@@](c1ccccc1F)([C@H](C)Br)CC2=O 587467057 PUIISOFRLIAQQS-FKIZINRSSA-N 407.279 5.128 50 1 HKGF N#C/C(=C\c1ccccc1OCCN1CCCCC1)c1noc2ccc(Cl)cc12 40554388 BKLRPJNKEIRSLY-NBVRZTHBSA-N 407.901 5.410 50 1 HKGF COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)n(Cc4ccccc4)c1C)[C@@H](C2)C3=O 587418055 RJHPDCGGCXQMMD-OFVILXPXSA-N 421.924 5.044 50 1 HKGF O=C1C[C@@](CCl)(Cc2ccccc2Br)Oc2c1ccc1c2CCCC1 587506345 XEFAYOFATRIAJK-OAQYLSRUSA-N 419.746 5.513 50 1 HKGF Cc1nc(-c2ccc(Cl)cc2)ccc1C(=O)N/N=C/c1ccc(Cl)cc1Cl 1857749378 LCZXJRFYXHLVAO-BHGWPJFGSA-N 418.711 5.781 50 1 HKGF CC(C=C=C1C(C)(C)C[C@@H](O)C[C@@]1(C)O)=CC=CC(C)=CC=CC=C(C)C=CC=O 2356381233 DTXLMVIHOKFQAR-ADQWWSNXSA-N 408.582 5.706 50 1 HKGF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC=C4C[C@H](OO)CC[C@@]4(C)C3=CC[C@]21C 2356505441 FJKLGGRFXVSQLY-UWOCBBLSSA-N 410.642 7.748 50 1 HKGF CCCCCCCCNC(=O)/C(C#N)=C/c1cn(Cc2ccccc2)c2ccccc12 95596882 RGYHMUNUESFCCV-PTGBLXJZSA-N 413.565 6.073 50 1 HKGF O=C(N/N=C/c1ccc(C(F)(F)F)cc1)c1cc(-c2ccc(F)cc2F)ccc1O 221368691 HJPMRQHCRGEHHR-LUOAPIJWSA-N 420.337 5.120 50 1 HKGF Oc1ccc(-c2cccc(-c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)c2)cc1 586897384 DCFBSVKTVXMOLP-UHFFFAOYSA-N 412.383 7.260 50 1 HKGF Cc1ccc([C@]2([C@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587321830 FMJQFVJWNPDAPO-PPYUERFYSA-N 410.872 5.721 50 1 HKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1c[nH]c2cc(F)ccc12 587572735 WHPLBSBLWRRNRS-REWPJTCUSA-N 423.827 5.109 50 1 HKGF COC(=O)[C@H](C)[C@@H]1CC[C@@](C)(CCCC(C)=CCC2=C(C)CCCC2(C)C)OO1 2356781594 BMRAENRJXMJDHN-JLRUASKGSA-N 406.607 6.698 50 1 HKGF CCC(=O)N(c1ccccc1)[C@@H]1CCN(CCc2ccc(N=C=S)cc2)C[C@@H]1C 5768115 ZQESQBVNDBLWAM-WMZHIEFXSA-N 407.583 5.117 50 1 HKGF CSc1nc(Nc2cccc(F)c2)c2cnn(C[C@@H](Cl)c3ccccc3)c2n1 28862109 BEMGXQUJMOKYHT-QGZVFWFLSA-N 413.909 5.411 50 1 HKGF CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(NC(C)=O)c2)n1CCCCl 64513841 SIQMBFPWOMGALT-UHFFFAOYSA-N 418.925 5.060 50 1 HKGF C[C@H](c1ccc(CBr)cc1)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 586973382 JERPMZHATGORTQ-CQSZACIVSA-N 422.326 5.984 50 1 HKGF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](Br)C(=O)CC3)c1 587357691 KJSQMEGWKNLGHB-IBGZPJMESA-N 422.278 5.608 50 1 HKGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)s1 587374425 KACKXNWLZDNTOD-IFMALSPDSA-N 416.901 5.703 50 1 HKGF CCCC(=O)Nc1ccc([C@]2(CCl)CC(=O)c3ccc(O)c(CCC)c3O2)cc1 587462432 ZLZLXJXMHAUTPY-HSZRJFAPSA-N 415.917 5.183 50 1 HKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H]3CC[C@]2(CCl)C3(C)C)N1 587686231 SXGWLTBIGWRWIG-VMQKWGEKSA-N 400.763 5.383 50 1 HKGF CC[C@H](C)[C@]1(CBr)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962635268 IPSPBYMMOZXADB-QTGUNEKASA-N 413.403 5.070 50 1 HKGF Cc1cc([C@@]2(CCl)c3ccc(F)cc3C[C@H]3CCCN32)c(C)n1CCC(C)C 963102813 RZILDOYAZAGCRR-ZJSXRUAMSA-N 402.985 5.793 50 1 HKGF C=C(CC/C=C\C#N)[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]2[C@H](C)CCCC(C)C)[C@@H]1CC(=O)O 3919773 LCEQNNMEJGUMMF-NNJPKAKUSA-N 413.646 7.398 50 1 HKGF CC(=O)O[C@H]1C[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]2(C)[C@@H]2C[C@H](O)C(C=O)=C[C@@]12C 34515403 SRMCXSOBWOJXSU-FKEQLYOESA-N 416.602 5.083 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)n(-c3ccc(C)c(C)c3)c1C)O2 587374277 VQEGDTHUJMLWTC-VWLOTQADSA-N 422.956 5.701 50 1 HKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ccc(F)c(Cl)c1 587558727 TUPSOIDKQQEUBS-NQIIRXRSSA-N 419.235 5.281 50 1 HKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(Cl)cc2)N1 587686380 URKLKDBOCHGTQQ-DYZYQPBXSA-N 403.122 5.258 50 1 HKGF C[C@H](Cl)[C@]1(c2ccc(Cl)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587689027 OTAVNKBUQKXRGY-LIBAHTEVSA-N 417.149 5.647 50 1 HKGF COc1ccc([C@]2([C@@H](C)Cl)c3cccc(F)c3CCN2[C@@H]2CCSC2)cc1 962706917 MSGKIHGVCKUWTA-ZDPZECHZSA-N 405.966 5.069 50 1 HKGF CCCCCC(=O)Nc1ccc([C@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)cc1 587374399 XPHOSFFPVPLVLH-HSZRJFAPSA-N 414.933 5.196 50 1 HKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)s1 587374427 KACKXNWLZDNTOD-IRLDBZIGSA-N 416.901 5.703 50 1 HKGF CCCc1c(O)ccc2c1O[C@](C)(c1ccccc1NC(=O)CCCCl)CC2=O 587460656 ONEJUMWMTUMZER-QHCPKHFHSA-N 415.917 5.183 50 1 HKGF Cc1cc(F)c([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1F 587718787 JPRGRNPBKWFPQH-MLCYQJTMSA-N 418.684 5.191 50 1 HKGF Oc1cc(C[C@]2(CCl)NCCc3cc(-c4ccccc4)ccc32)c2ccccc2n1 962671703 UNGAJEQJRJZXTI-AREMUKBSSA-N 414.936 5.430 50 1 HKGF C[C@@]1(CCCCCCCCCCc2ccccc2)CC[C@](C)(CCC(=O)O)OO1 2356822594 FXARBNGSFQVXFA-RPBOFIJWSA-N 404.591 6.864 50 1 HKGF C=C(c1ccc(Oc2cccc3ccccc23)cc1)[C@@H]1COC2(CCCCC2)OO1 58506344 UXUADFHIUMKSLB-VWLOTQADSA-N 402.490 6.653 50 1 HKGF Cc1cc(Cl)cc(C(=O)NNCc2ccccc2Cl)c1NC(=O)CC(C)(C)C 103210029 AMTNSVRIFSSPTI-UHFFFAOYSA-N 422.356 5.111 50 1 HKGF O=C1c2ccc(O)cc2O[C@](CCCl)(c2ccccc2F)[C@@H]1c1ccc(F)cc1 587338648 XYRAVNOLQTWCHU-FYYLOGMGSA-N 414.835 5.554 50 1 HKGF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccc(CCl)cc1)CC2=O 587459932 JDANSHHBIBCSKU-RUZDIDTESA-N 406.909 5.993 50 1 HKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2c[nH]c3ccccc23)N1 587683265 GDTLEHRODSTYSJ-WYRIXSBYSA-N 407.714 5.086 50 1 HKGF C/C(=C\CCc1coc(Cc2ccoc2)c1)CCC[C@H](C)CC(=O)[C@@H](O)[C@@H](C)Cl 34363968 XJDJFTYVYSQNPJ-ZUXNZOSLSA-N 420.977 6.096 50 1 HKGF C=C1C=C[C@]2(Br)O[C@@H]3C[C@@](C)(Cl)[C@@H](Br)C[C@@]13C2(C)C 195474719 SCVKJKKRVLDQHS-JHOKLZQASA-N 410.577 5.170 50 1 HKGF C=CCC/C=C/C=C\CCCCCC[C@@H]1CC[C@@H]([C@H]2CC[C@H](CC(=O)O)OO2)O1 238742148 AAJUINQOJSADQB-YDRYZUQCSA-N 406.563 5.907 50 1 HKGF COc1ccc(-c2nnc(-c3ccc4nc(/C(C#N)=C\c5ccccc5)[nH]c4c3)o2)cc1 587189197 ZIGXWQIZUQXBMV-UYRXBGFRSA-N 419.444 5.353 50 1 HKGF CCc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587614810 UWSJBQNIAAOSDI-GHTZIAJQSA-N 400.883 5.112 50 1 HKGF CC=CC=CCCCCCCCCCCC[C@]1(OC)C=C[C@@H](CC(=O)OC)OO1 2356802226 RYYYFHGENGEKBQ-LADGPHEKSA-N 408.579 6.202 50 1 HKGF C=C1C=C[C@]2(Br)O[C@H]3C[C@](C)(Cl)[C@@H](Br)C[C@@]13C2(C)C 195474715 SCVKJKKRVLDQHS-RCZQDCHWSA-N 410.577 5.170 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc3sccc3c1)O2 587415304 QVUMXBHYILQSGK-LJQANCHMSA-N 402.313 5.048 50 1 HKGF C[C@]1(CCCCCCCCC=CC=Cc2ccccc2)C[C@]2(C)OC(=O)C[C@@H]2OO1 2356605543 KEKDEOVVWKTZKA-RNXOBYDBSA-N 412.570 6.562 50 1 HKGF CO[C@H]1OC(=O)C=C1C=CC=C(C=O)CCC=C(C)CCC1=C(C)CCCC1(C)C 2356799392 UKFUINKTZXCESL-VWLOTQADSA-N 412.570 6.157 50 1 HKGF C[C@@]1(CCC(=O)O)CC[C@@](C)(CCCCCCCCCCc2ccccc2)OO1 2356822592 FXARBNGSFQVXFA-JWQCQUIFSA-N 404.591 6.864 50 1 HKGF C/C(=N/NC(=O)[C@@H](C)Oc1cc(Cl)c(Cl)cc1Cl)c1ccc(Cl)cc1 103189558 FKBPWCXRQXNWLI-SVTCXGMLSA-N 420.123 5.608 50 1 HKGF O=C1c2ccc(O)cc2O[C@](CCl)(c2cccc(F)c2)[C@@H]1c1ccc(F)cc1 587338128 SYXLJERAGWVDQZ-IFMALSPDSA-N 400.808 5.164 50 1 HKGF CCCc1c(O)ccc2c1O[C@@](c1ccc(C)cc1)([C@@H](C)Br)CC2=O 587456274 LXAMSDLVPYAOMN-SPLOXXLWSA-N 403.316 5.297 50 1 HKGF CN(C)/C=C(/C#N)[C@]1(c2ccccc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587507427 QMTSZQWPTGCQQB-AUFNVCJYSA-N 406.913 5.049 50 1 HKGF CN(C)/C=C(/C#N)[C@@]1(c2ccccc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587507431 QMTSZQWPTGCQQB-SFZZKXPISA-N 406.913 5.049 50 1 HKGF C[C@H](Br)[C@]1(c2ccc(F)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587509582 ZWELJJSLZRWDBH-QKVFXAPYSA-N 421.281 5.488 50 1 HKGF Cl[C@@H]1[C@@H](c2c[nH]c3ccccc23)c2[nH]c3ccccc3c2[C@@H]1c1c[nH]c2ccccc12 653788040 SEESSSRPRSWLAA-DMDYGQEQSA-N 421.931 7.015 50 1 HKGF O=[P@@](Nc1ccc(Cl)cc1)(Oc1ccccc1)N(CCCl)CCCl 1628773 CDPPRYBJBWLFLD-DEOSSOPVSA-N 407.665 5.719 50 1 HKGF CC[C@@H](c1ccc(O)cc1)[C@H](CCCCI)c1ccc(O)cc1 29329038 MCESYVAGHCZZRV-VQTJNVASSA-N 424.322 5.981 50 1 HKGF CCCc1c(O)ccc2c1O[C@@](c1ccc(C(C)(C)C)cc1)([C@@H](C)Cl)CC2=O 587459775 PJVWUBMCBLSZMC-OYLFLEFRSA-N 400.946 6.130 50 1 HKGF CCc1ccc(CC)c([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587689469 SQLWRKRLKRQWGJ-ZSEKCTLFSA-N 424.785 5.730 50 1 HKGF O=C(Nc1ccc([C@]2(CCl)NCCc3cc(Cl)ccc32)cc1)c1ccccc1 963390902 OIHONBMXDLGKOM-QHCPKHFHSA-N 411.332 5.220 50 1 HKGF C[C@@H](CCCCCC/C=C\C=C\c1ccccc1)C[C@]1(C)C[C@](C)(CC(=O)O)OO1 44431368 GBVSDTSXHOBZRG-HFIYXVOOSA-N 414.586 6.967 50 1 HKGF CCOC(=O)[C@@H](Cl)c1nc2c(C)ccc3c2c(c1C(C)C)-c1ccccc1C3=O 586994337 YHYXBAPSJYUOAM-FQEVSTJZSA-N 407.897 5.721 50 1 HKGF FC(F)(F)COc1cc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)ccn1 587091771 OTOULRTXXMLFJY-UHFFFAOYSA-N 419.297 6.223 50 1 HKGF CC(C)c1ccc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587688325 LJVYLWAHMVLARP-RBZFPXEDSA-N 410.758 5.728 50 1 HKGF C[C@H](C=Cc1ccccc1)CC=C[C@H](C)C[C@H](C)C[C@]1(C)C[C@](C)(CC(=O)O)OO1 2356491881 RNPUPYFEZWXDFS-SHGLSTRNSA-N 414.586 6.679 50 1 HKGF CCCCCCCCCCCCCCCCSC[C@H](NC(C)=O)C(=O)CCl 43920315 WIUOOSDZKIQPGL-NRFANRHFSA-N 420.103 6.514 50 1 HKGF Cc1ccc(-c2[nH]c3ccccc3c2[C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1 103205726 XPDCDIYQWUPWPO-JOCHJYFZSA-N 423.516 5.594 50 1 HKGF N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587265835 RNVCFUTXWMOLSC-JTQLQIEISA-N 424.351 5.077 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1cc3cc(Cl)ccc3o1)O2 587371804 GGQMRYRXCUQOJN-IBGZPJMESA-N 420.690 5.232 50 1 HKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2csc3ccccc23)N1 587854559 CVGCJBVCRKGZKD-WYRIXSBYSA-N 424.766 5.820 50 1 HKGF COc1ccc(-c2coc3cc(OCCCCBr)ccc3c2=O)cc1 1772570411 HGMWNLGSEFGGOK-UHFFFAOYSA-N 403.272 5.023 50 1 HKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc3c(c2)CCC3)N1 587683589 HPCCEMNXGPLBKI-MPBGBICISA-N 408.742 5.094 50 1 HKGF CC(C)c1ccc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587688328 LJVYLWAHMVLARP-ZUOKHONESA-N 410.758 5.728 50 1 HKGF CCCCC1(CCCC)C[C@@H](CNCCCn2ccnc2)[C@@](CCCC)(OC)OO1 1857579989 RQPJDJQFQJTRSF-UPVQGACJSA-N 423.642 5.483 50 1 HKGF CC1=C(CC[C@](C)(O)C=CC[C@]2(C)CC[C@H]([C@@H](C)C(=O)O)OO2)C(C)(C)CCC1 2356501647 IOPIOUHRQRYDMU-PEVILPJXSA-N 408.579 5.581 50 1 HKGF Cc1cc(F)c([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1F 587722897 UDDJNQWGQUWKFQ-MLCYQJTMSA-N 418.684 5.191 50 1 HKGF CCCCC[C@H](O)c1ccc([C@H]2CC[C@@H](Cl)[C@@H]2CCCCCCC(=O)O)s1 1772641226 FQVZCNUEXWRBSW-HCXYKTFWSA-N 415.039 6.888 50 1 HKGF C[C@H](C=Cc1ccccc1)CC=C[C@H](C)C[C@H](C)C[C@]1(C)C[C@@](C)(CC(=O)O)OO1 2356491877 RNPUPYFEZWXDFS-GZBLQCQNSA-N 414.586 6.679 50 1 HKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(C)c(C)c1)CC2=O 587456487 PIDXKRIKYTWCNM-NRFANRHFSA-N 403.316 5.217 50 1 HKGF Cc1cccc2[nH]cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c12 587543836 LUCNCWQUEZIXHB-XUZZJYLKSA-N 419.864 5.278 50 1 HKGF CCn1c(C)cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587690159 ZRGQTXUZVDZTIG-NSPYISDASA-N 413.762 5.043 50 1 HKGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](CBr)(c2c(F)cccc2Cl)N1 962949260 LBWCGTDENSCVKO-MPBGBICISA-N 421.741 5.523 50 1 HKGF CC1(C)[C@H](C(Cl)Cl)[C@]2(Cl)[C@H](Cl)[C@H](Cl)[C@]1(Cl)C2(Cl)Cl 100067436 HRBUJQUHXGOSQW-LCOJHDNXSA-N 413.814 5.804 50 1 HKGF in-vitro C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H](Cl)c2ccc(F)cc2)N1 587737344 XCYRCWGZUOOHQT-APEXYLGGSA-N 400.694 5.457 50 1 HKGF CC(=C[C@H](O)[C@@H]1C(C)=C(C)CCC1=C(C)C)[C@@H]1CC[C@@](C)(O)[C@@H](Br)C1 2356554429 WRAWOJYEALVOIS-WHCFWRGISA-N 411.424 5.691 50 1 HKGF CC(C)(C)SC1=CCC[C@@H](P(=O)(c2ccccc2)c2ccccc2)[C@@H]2CCC[C@@H]12 73295983 JQFGIWCDGIXUGO-WXFUMESZSA-N 424.590 6.995 50 1 HKGF C=CCC/C=C\C=C/CCCCCC[C@@H]1CC[C@@H]([C@H]2CC[C@H](CC(=O)O)OO2)O1 238754609 AAJUINQOJSADQB-GIIOAWRESA-N 406.563 5.907 50 1 HKGF O=C1c2ccc(O)cc2OC(CCCCl)(CCCCl)[C@H]1c1ccc(F)cc1 587326066 JLARJPWGODVFSY-IBGZPJMESA-N 411.300 5.667 50 1 HKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc3c(c1)-c1ccccc1C3)CC2=O 587459950 JINMQTUBSLZTDB-AREMUKBSSA-N 418.920 6.015 50 1 HKGF O=C1C[C@](CBr)(c2ccc(F)c(F)c2)Oc2c1ccc1c2CCCC1 587504357 ISJTVCGVGHIAML-FQEVSTJZSA-N 407.254 5.099 50 1 HKGF C[C@H](Cl)[C@]1(c2ccc(F)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587559434 XKHPHZGDVDIJJX-SAWWVNKFSA-N 416.807 5.155 50 1 HKGF CCC(=O)N(c1ccccc1)[C@H]1CCN(CCc2ccc(N=C=S)cc2)C[C@@H]1C 28770646 ZQESQBVNDBLWAM-CVDCTZTESA-N 407.583 5.117 50 1 HKGF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(CSC#N)c1ccc(Cl)cc1Cl 963643298 ZQENJMSNLHUVCH-YUNKPMOVSA-N 423.365 5.003 50 1 HKGF C=C(CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(C=O)=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 40420661 ZGCGMYXRXTYHNJ-RVHZRYLBSA-N 412.658 6.734 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)n(-c3ccccc3F)c1C)O2 587385920 RANVQDHOVZQABR-HSZRJFAPSA-N 412.892 5.223 50 1 HKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(C2CCCCC2)N1 587674600 XZZRRJOZQDJWFN-PIGZYNQJSA-N 419.176 5.293 50 1 HKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2c[nH]c3ccccc23)N1 587683259 GDTLEHRODSTYSJ-NSPYISDASA-N 407.714 5.086 50 1 HKGF COc1ccc([C@]2([C@@H](C)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587686200 BXXZSNGRLIPEOV-CLUVUEOHSA-N 412.730 5.002 50 1 HKGF Cc1cc(C)c([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 587689531 UCWJNOFNXDVSCU-VBKZILBWSA-N 410.758 5.530 50 1 HKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCCl)(c2ccccc2F)N1 587724913 AFMWZDNSABJPDF-ADLMAVQZSA-N 400.694 5.134 50 1 HKGF COc1ccc(Cl)cc1C#Cc1cc(Br)cc(CBr)c1 587897965 CBYMTSJBVGPSES-UHFFFAOYSA-N 414.524 5.406 50 1 HKGF CCC[C@H]1Oc2ccccc2[C@@H]2[C@@H]1C=C(C=O)[C@@H](CCC)[C@]21C(=O)Nc2ccccc21 1772584673 BVTZOBAREUAEKZ-HDAOCIJXSA-N 415.533 5.393 50 1 HKGF CCCc1cc(S(F)(F)(F)(F)F)cc2c1O[C@H](C(F)(F)F)C(C(=O)O)=C2 1772594042 DHZKWLKOBNXRLI-LBPRGKRZSA-N 412.298 6.088 50 1 HKGF Cc1ccc2[nH]c(-c3ccccc3)c([C@H]3C=C(c4ccccc4)OC(N)=C3C#N)c2c1 95603523 QKGLFUWNFFZATM-FQEVSTJZSA-N 403.485 5.992 50 1 HKGF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2/C(=C/[C@@H]3OOCC4=C3C[C@@H](O)CC4)CCC[C@@]21C 102193814 WPWVACZRAWXVOS-QXHKUGGASA-N 416.646 6.763 50 1 HKGF CCCc1ccc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587501834 ZBTARNPEPUWTTL-HSZRJFAPSA-N 413.355 5.774 50 1 HKGF Cc1ccccc1[C@]1(CCCCl)c2ccccc2CCN1[C@H](C#N)c1ccccc1 963201976 HDCFWWROCUSWCG-KAYWLYCHSA-N 414.980 6.381 50 1 HKGF CCC=CCC[C@@H](CC=CCCCCCCCCCC(=O)OC)O[Si](C)(C)C 2356592514 AUSXKZJNXQIEEH-QHCPKHFHSA-N 410.715 7.583 50 1 HKGF C[C@H]1C[C@@](C)(C[C@H](C)CCCCCCCCc2ccccc2)OO[C@]1(O)CC(=O)O 2356651253 GUSPWEANGOMOST-RRJCBXKSSA-N 420.590 5.896 50 1 HKGF CC(C)[Si](O[C@@H]1C2=C[C@H]3[C@@H](O)[C@H](O)[C@H]4[C@H]5C[C@H]3[C@@]2(CC1(C)C)[C@H]54)(C(C)C)C(C)C 2356729034 ASLTZPZDWYLWKE-QXUYIZKWSA-N 418.694 5.137 50 1 HKGF CCCCCCCCCCCCCCCC[C@@]1(OC)C=C[C@@H](CC(=O)OC)OO1 43427144 ZKFUKHCEACWDKL-UPVQGACJSA-N 412.611 6.650 50 1 HKGF biogenic CCCCCOc1cc2nc(CCCCBr)[nH]c2cc1Br 586972131 HJIXNZURRYHNRY-UHFFFAOYSA-N 418.173 5.612 50 1 HKGF Cc1ccc(C)c([C@]2([C@@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587325033 WINUDFGYBBGPLJ-KITIHOALSA-N 424.899 6.030 50 1 HKGF C[C@H](Cl)[C@@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587335015 NLRYWNBDJUTHAJ-DFTDMARZSA-N 414.835 5.552 50 1 HKGF COc1cccc2cc3c(nc12)[C@@](CCl)(c1ccc(-c2ccccc2)cc1)NCC3 963059266 QCINVZUOXQUETF-AREMUKBSSA-N 414.936 5.539 50 1 HKGF CC1(C)C(Br)=C([C@H](Cl)CBr)CC[C@@H]1Br 43382121 CYZCHHADPFRZIU-SFYZADRCSA-N 409.387 5.221 50 1 HKGF biogenic CC(C)=CCC/C(C=O)=C/CC/C(C)=C\CC[C@@]1(C)C=Cc2cc(O)cc(C)c2O1 238787826 PFYWXIXLDAWXHZ-YMMIMZKBSA-N 408.582 7.243 50 1 HKGF Cc1cc(C)c([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1C 587541680 CWUKQAVBSLSXTR-WIOPSUGQSA-N 422.908 5.722 50 1 HKGF Cc1[nH]c2ccccc2c1[C@@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21 587684765 MDFXQHCEFGSSTG-GIPWTMENSA-N 421.741 5.395 50 1 HKGF CC(C)c1ccc2c(c1)CC[C@@H]1[C@@](C)(C(=O)Oc3ccc([N+](=O)[O-])cc3)CCC[C@]21C 2356860417 VUFCJTVPJWNVGI-DMDYGQEQSA-N 421.537 6.334 50 1 HKGF ClCCCS/C(=N\C1CCCC1)N(Cc1ccccc1)Cc1ccccc1 82051716 FLDQSEDYOALXLI-BZZOAKBMSA-N 401.019 6.350 50 1 HKGF C[C@@H]1C[C@H](O)[C@H](Br)C(C)(C)[C@]12CC[C@@](C)(Cl)[C@H](Br)C2 2356575932 IDWIUXHNQBVESY-NJTCAMEISA-N 416.625 5.108 50 1 HKGF CC1=C(c2nc(C(C)(C)C)cs2)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3 49784962 MLFZGWSERUNGCN-GAGABTMNSA-N 405.560 5.417 50 1 HKGF ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@H]4O[C@]4(Cl)[C@H]3Cl)[C@@]1(Cl)C2(Cl)Cl 100898126 VWGNQYSIWFHEQU-DUWZUGNQSA-N 423.765 5.019 50 1 HKGF in-vitro CC1=C(C#N)[C@@H](c2ccc(OCc3ccc(F)cc3)cc2)C2=C(O)CC(C)(C)CC2=N1 104016158 BVSIVTPAWONZNW-XMMPIXPASA-N 416.496 6.373 50 1 HKGF COc1ccc([C@@H]2C(C#N)=C(C)N=C3C[C@@H](c4ccc(Cl)cc4)CC(O)=C32)cc1 104696170 NKDSVLPODHYHIO-UZUQRXQVSA-N 404.897 6.074 50 1 HKGF CC(C)OP(=O)(OC(C)C)/C(C#N)=C/c1c(-c2ccccc2)[nH]c2ccccc12 140043911 TWHYYVPGQALIFC-XMHGGMMESA-N 408.438 6.742 50 1 HKGF O=C1c2ccc(O)cc2O[C@](CBr)(C2CCCC2)[C@H]1c1ccc(F)cc1 587324286 XMKPQNCRHSEOHE-PZJWPPBQSA-N 419.290 5.214 50 1 HKGF CCCCCC=CC(=O)[C@@H]1CSSC[C@H]2CCC[C@H]2Oc2cc(ccc2O)C1 2356372069 XPHGCDJULMAVTL-XQBPLPMBSA-N 420.640 6.199 50 1 HKGF CC=CC=CCCCCCCCCCCC[C@@]1(OC)C=C[C@H](CC(=O)OC)OO1 2356802228 RYYYFHGENGEKBQ-VWNXMTODSA-N 408.579 6.202 50 1 HKGF FS(F)(F)(F)(F)c1ccc2nc(-c3cc(-n4cccc4)ccc3Cl)[nH]c2c1 587050812 RAJJLRUZFNKKBA-UHFFFAOYSA-N 419.806 7.331 50 1 HKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c(C)c1C 587689548 UGDXNVURUOWQAP-QKVFXAPYSA-N 424.785 5.838 50 1 HKGF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3cc(S(F)(F)(F)(F)F)ccc3[nH]2)cc1 587787404 VIDQITZHVPVWQN-UONOGXRCSA-N 418.387 6.164 50 1 HKGF COC(=O)[C@H](C)[C@@H]1CC[C@](C)([C@@H]2C[C@]3(C)[C@H](C)C[C@@H]4C=C(C)CC[C@@H]4[C@@]3(C)O2)OO1 2356565543 ZUKFYDKHJLXOAT-HBWKAZJLSA-N 420.590 5.231 50 1 HKGF C[C@@H]1CC[C@H]2[C@@H](CCCc3ccc(Cl)cc3)CO[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 38152974 PKLRQGBISBQRKI-YEMUDNHFSA-N 406.950 5.525 50 1 HKGF Cc1c(Br)ccc2nc([C@@H](C)c3ccc(CBr)cc3)[nH]c12 586974312 VMLOMLUQINMZPE-JTQLQIEISA-N 408.137 5.681 50 1 HKGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](CCBr)(c2ccc3c(c2)CCC3)N1 962945864 GYWRUDLDSRXBNO-NTKDMRAZSA-N 423.398 5.610 50 1 HKGF COc1cc([C@]2(C)c3ccc(F)cc3C[C@@H]3CCCN32)ccc1OCCCCl 963098191 GDFIGJUUIDUXAV-WMZHIEFXSA-N 403.925 5.126 50 1 HKGF CC(C)COc1cc2nc(CCCCBr)[nH]c2cc1Br 586972565 WUNPLBYZCJSTTB-UHFFFAOYSA-N 404.146 5.078 50 1 HKGF N#CSC[C@]1(c2ccccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587331680 JPVUTZATQUODKZ-JTHBVZDNSA-N 423.440 5.139 50 1 HKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc3c(c2)CCCC3)N1 587685711 RHZAVXQYIIFEOF-YEJXKQKISA-N 422.769 5.484 50 1 HKGF Cc1cc(C)c(C)c([C@]2(CCl)NC3(CC3)Cc3ccc(Br)cc32)c1C 961746217 CQCMTRHVLOGOFD-JOCHJYFZSA-N 418.806 5.843 50 1 HKGF C=C1C[C@H](OC(=O)c2ccccc2)[C@H]2[C@@](C)(CCC[C@@]2(C)CO)[C@H]1CCC(C)=CC=O 2356482189 IQFDAOLIRBRVJU-DKJSDLLJSA-N 424.581 5.519 50 1 HKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCCl)c1ccc(F)cc1F 587567101 DKOCQSXAGUMHPX-UGKGYDQZSA-N 416.807 5.156 50 1 HKGF CCCc1ccc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587682565 DCEXRSWUODDJDI-RBZFPXEDSA-N 410.758 5.557 50 1 HKGF C=C1[C@@H]2CCC(C)=C[C@@H]2C[C@H](C)[C@]1(C)CC[C@]1(C)CC[C@H]([C@H](C)C(=O)OC)OO1 2356435228 VSEZUKGTWQYFLZ-SROLBAKWSA-N 404.591 6.020 50 1 HKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCCl)(c2ccc(F)cc2F)N1 587724315 GUHXIKZDKIEDDB-YPMLDQLKSA-N 418.684 5.273 50 1 HKGF C[C@H](Cl)[C@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587335025 NLRYWNBDJUTHAJ-YZCBWUASSA-N 414.835 5.552 50 1 HKGF O=C1C[C@@]2(C=C(CCl)OC=C2OCc2ccccc2)Oc2c1ccc1c2CCCC1 587496330 CHSFFGXBKZCWET-RUZDIDTESA-N 422.908 5.481 50 1 HKGF Cc1ccc([C@]2([C@H](C)Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C 587688405 MFXAUYJCXCINTG-YRVVQQKDSA-N 410.758 5.610 50 1 HKGF C[C@@H](c1ccc(CBr)cc1)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 586973345 IDKVMLJJXVVPLF-HNNXBMFYSA-N 419.322 5.841 50 1 HKGF COc1cc2c3c(c1)OC1([C@@H](Cl)CCCCCCCCC[C@@H]1Cl)[C@@H](C2)C3=O 587423330 XAKLQRCNBJRVQI-WDSOQIARSA-N 411.369 5.921 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1c(-c3ccccc3)[nH]c3ccccc13)O2 587371223 DZEZWZDWTPFGIR-VWLOTQADSA-N 416.908 5.825 50 1 HKGF COc1ccc(Cl)cc1C#Cc1ccc(OC(F)(F)F)cc1CBr 587915529 WUNSDVOAEDCEOL-UHFFFAOYSA-N 419.624 5.542 50 1 HKGF CCCN1[C@H](C)Cc2ccccc2[C@]1(CCCCl)c1cccc(Br)c1 963238175 HZCVNCRQDNJJHU-VGSWGCGISA-N 420.822 6.368 50 1 HKGF COC(=O)C[C@@]1(C)C[C@](C)(C[C@@H](C)CCCCCCCCc2ccccc2)OO1 42876217 TWGPUNAPRZRUAG-TUSQITKMSA-N 404.591 6.418 50 1 HKGF CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1ccc(Oc2ccc(Cl)cc2)cc1 49045920 IRSVSZQQYFVCRL-RGVLZGJSSA-N 424.891 6.141 50 1 HKGF C=C(c1cccc2ccccc12)C1CCC2(CC1)CO[C@H](Nc1ccc(F)cc1)OO2 64446729 GWOHDJHWPTWUPN-GXJVVJEWSA-N 419.496 6.295 50 1 HKGF CC(C)=CCC/C(C=O)=C\CC/C(C)=C/CC/C(C)=C/CC1=CC(=O)C=C(C)C1=O 140154098 LBHIBZMBLXNKLE-BYRVYXIXSA-N 408.582 6.726 50 1 HKGF COc1cccc(-c2c(C3CC3)c(CBr)nc3c2oc2ccccc23)c1 587361563 VRCIGKHZCOXLLS-UHFFFAOYSA-N 408.295 6.429 50 1 HKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1cccc(Cl)c1)CC2=O 587457059 VHRNWHCEZMQLBG-IBGZPJMESA-N 409.707 5.254 50 1 HKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1cc3ccccc3o1)CC2=O 587457340 XTQHZRYDPOXZKR-OAQYLSRUSA-N 415.283 5.347 50 1 HKGF COc1ccc(Cl)cc1C#Cc1ccc(/C(C#N)=C\c2cccc3ccccc23)cc1 587906114 RDRMGFJFSVRTBZ-UQQQWYQISA-N 419.911 6.966 50 1 HKGF CC1(C)[C@@H](C(Cl)Cl)[C@]2(Cl)[C@@H](Cl)[C@@H](Cl)[C@@]1(Cl)C2(Cl)Cl 15449105 HRBUJQUHXGOSQW-CQWLMVLJSA-N 413.814 5.804 50 1 HKGF CCO[P@@](=O)(c1ccccc1)c1ccc2oc(-c3ccc4ccccc4c3)nc2c1 59096830 AJLKGZBFPVUBFN-PMERELPUSA-N 413.413 5.913 50 1 HKGF CC1=C(CC/C(C)=C/CC/C(C=O)=C/C[C@@H](O)C2=CC(=O)OC2)C(C)(C)CCC1 139719481 CVXAFDSSBXFDSR-JTASSXHHSA-N 400.559 5.379 50 1 HKGF C=C1CC/C=C(\C)C[C@H](OC(=O)/C=C/c2ccc(O)cc2)CC(C)(C)C[C@@H]1OO 49694543 ZDRHNSQPEYXBDI-BBVNVTRHSA-N 400.515 5.668 50 1 HKGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(C)c1F 587555149 FOABAYWQGXSOLO-AUSIDOKSSA-N 412.844 5.244 50 1 HKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCCl)(c2ccc(F)cc2)N1 587730752 KFCYXFMOZSHSLQ-BBATYDOGSA-N 400.694 5.134 50 1 HKGF CCCN1[C@H](C)Cc2ccccc2[C@]1(CCl)c1cc(C)n(-c2ccc(F)cc2)c1C 963222768 CTQCOTRFLKNDPS-WXTAPIANSA-N 424.991 6.372 50 1 HKGF Cc1ccc(C(=O)N/N=C(\N=N\c2ccccc2Cl)c2ccc(N(C)C)cc2)cc1 73241426 TZTVCXVGFZVWIZ-MBGKTMOUSA-N 419.916 5.590 50 1 HKGF COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)n(-c4ccccc4C)c1C)[C@@H](C2)C3=O 587416532 AVTOCDLEPGSKTK-NBGIEHNGSA-N 421.924 5.293 50 1 HKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)([C@@H](C)Cl)N1 587731901 LYZMWCMBAUPGLG-YRUZYCQGSA-N 400.694 5.132 50 1 HKGF C=C(C)[C@]1(CCC(C)=CCCC(C=O)=CC[C@H](O)C2=CC(=O)OC2)CCC[C@H]1C 2356309457 JBWGQHJYPJOQEK-JHMXWDHMSA-N 400.559 5.235 50 1 HKGF CCCCCCCCC=C(Br)[C@H](O)C(Br)Br 2356578361 OXAKHAUHUJIBEU-NSHDSACASA-N 421.011 5.493 50 1 HKGF CN(NC(=O)Nc1csc(Cc2c(Cl)cccc2Cl)n1)c1ccccc1 13553604 OMJFOPPINJLCIF-UHFFFAOYSA-N 407.326 5.214 50 1 HKGF CC(C)[Si](OCC/C=C/[C@H]1CCC(=O)[C@H]1[C@@H](O)C1CCCCC1)(C(C)C)C(C)C 195480459 AIFDEPAJGQREQC-HQKAZHBQSA-N 422.726 6.661 50 1 HKGF COc1ccc2[nH]c(C)c([C@@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)c2c1 587500242 ZJOSZUGIYMIJFA-DEOSSOPVSA-N 409.913 5.463 50 1 HKGF Cc1cc([C@]2([C@@H](C)Cl)c3ccc(F)cc3C[C@@H]3CCCN32)c(C)n1-c1ccccc1 963111927 WISAJESAHCRJAP-BLFHIAQRSA-N 422.975 6.125 50 1 HKGF Cc1ccc(NC(=O)CCC2CCCCC2)cc1/C=C(\C#N)c1ccc2c(c1)OCO2 13757515 XNVQDLQCRAIBMQ-LPYMAVHISA-N 416.521 6.087 50 1 HKGF CC1(C)[C@H](C(Cl)Cl)[C@]2(Cl)[C@@H](Cl)[C@@H](Cl)[C@@]1(Cl)C2(Cl)Cl 15449106 HRBUJQUHXGOSQW-CBAGHSTOSA-N 413.814 5.804 50 1 HKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)c1csc2ccccc12 587617596 KSSBOENCVOVVGT-NFBKMPQASA-N 422.889 5.703 50 1 HKGF Fc1ccc([C@@]2(CCCCCCl)NCCc3c(Cl)cc(Cl)cc32)cc1 963103949 HBXODSQMUAZMFJ-HXUWFJFHSA-N 400.752 6.321 50 1 HKGF Cc1cc(NC(=O)Nc2ccc(N(CCCl)CCCl)cc2)c2ccccc2n1 49745821 QFFYHGSWSSUPEH-UHFFFAOYSA-N 417.340 5.471 50 1 HKGF CC(C)=C[C@H]1C[C@H](C)[C@]2(CC[C@]3(C)C[C@H]4[C@H](C(=O)C[C@@]4(C)O)C(/C=C/C#N)=CC[C@@H]23)O1 473113935 KTGLWHNITMBGQB-FWLKRJAWSA-N 423.597 5.289 50 1 HKGF CC1(C)C[C@H]2[C@H](C=C(C=O)[C@]3([C@@H]4CC(=O)c5ccc6c(c5O4)CCCC6)C[C@]23C)C1 587527879 XIVSZNFHZIOLTL-JSHWCBPESA-N 404.550 5.487 50 1 HKGF CC[C@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2[C@@]34C=C[C@@]5(C[C@H](O)CC[C@]5(C)C3=CC[C@]12C)OO4 2356391424 QRMRXDOWNSSATH-KPHOALHISA-N 412.614 6.148 50 1 HKGF COc1ccc([C@]2(CCCCCCCl)c3c(F)cccc3C[C@@H]3CCCN32)cc1 963116438 WZNXKISGCCAVHS-SQJMNOBHSA-N 415.980 6.288 50 1 HKGF Oc1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2CCCl)cc1 587625092 BDTSJISSSMLMBX-UHFFFAOYSA-N 407.741 6.359 50 1 HKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc(C)c1F 587721986 XILWBAJYVUPIGK-BLVKFPJESA-N 414.721 5.361 50 1 HKGF COC(=O)[C@H](C)[C@@H]1CC[C@](C)(CCCC(C)=CCC2=C(C)CCCC2(C)C)OO1 2356781597 BMRAENRJXMJDHN-KJWPAHLWSA-N 406.607 6.698 50 1 HKGF C=C1C[C@H](O)[C@H](Br)C(C)(C)[C@@]12CC[C@@](C)(Cl)[C@@H](Br)C2 1655199 KKDUTGUFMQDATD-JQPXUNLUSA-N 414.609 5.028 50 1 HKGF C=C(c1ccccc1)[C@@H]1COC2(CCC(Nc3cc(Cl)cc(Cl)c3)CC2)OO1 43394065 HJMJCBABVUBRRO-IRQNMHNUSA-N 420.336 6.105 50 1 HKGF Cc1c(Br)cc2nc([C@@H](C)c3ccc(CBr)cc3)[nH]c2c1C 586974057 PTZYMVMIVILXBM-LBPRGKRZSA-N 422.164 5.989 50 1 HKGF FC(F)COc1cccc(-c2nc3cc(S(F)(F)(F)(F)F)ccc3[nH]2)n1 587123209 IBPNOVBTSVJVHE-UHFFFAOYSA-N 401.307 5.926 50 1 HKGF COc1ccc(Cl)cc1C#Cc1cc(S(F)(F)(F)(F)F)cc2ncoc12 587917907 VGQQXMFDVFIKDQ-UHFFFAOYSA-N 409.763 6.547 50 1 HKGF Cc1c(F)ccc2c1[C@](CBr)(c1cccc(Cl)c1Cl)NCC2 962092825 NQSASLMPYRBVET-KRWDZBQOSA-N 403.122 5.225 50 1 HKGF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3C[C@H](C)[C@@]2(OO)C(C)=O)C1 2356737796 SZGJLABGQCABNH-YILSWFQGSA-N 406.563 5.024 50 1 HKGF COc1ccc2ccccc2c1/C=N/NC(=O)C1CCC(c2ccc(Cl)cc2)CC1 62242218 NYSSHZUZNGBACC-JVWAILMASA-N 420.940 5.926 50 1 HKGF C#C/C=C\C[C@@H]1O[C@H](C/C=C(/Br)CC)[C@H](Br)C[C@@H]1Cl 111481406 NZHWXNQBZKBACG-XYQJUIJZSA-N 410.577 5.173 50 1 HKGF CS(=O)(=O)Nc1ccc(-c2nc3cc(S(F)(F)(F)(F)F)ccc3[nH]2)cc1 586951089 SVJLYHDLLCRVOJ-UHFFFAOYSA-N 413.393 5.259 50 1 HKGF CC[C@@]1(CCCBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587319628 CJDIMLHRSRNTGO-QUCCMNQESA-N 407.279 5.214 50 1 HKGF Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccccn1 587495996 BEFTXEMGMGJSDX-VWLOTQADSA-N 420.940 5.467 50 1 HKGF O=C1C[C@@](CBr)(c2ccc3c(c2)CCC3)Oc2c1ccc1c2CCCC1 587501770 XONGOZLCHARGRX-HSZRJFAPSA-N 411.339 5.310 50 1 HKGF C[C@@H](Cl)[C@@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587503436 OCRJBNFWHCCICZ-LRTDBIEQSA-N 419.746 5.816 50 1 HKGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](C)(c2cccc(S(F)(F)(F)(F)F)c2)N1 962949547 PPGASHJDOWSNJJ-JLTOFOAXSA-N 416.459 7.013 50 1 HKGF C[C@H](Cl)[C@@]1(c2c[nH]c3ccccc23)c2cccc(Br)c2CCN1C 963279653 IGRMEEBASUADIM-RBZFPXEDSA-N 403.751 5.289 50 1 HKGF O=C(Cn1c(C2CC2)nc2cc(Cl)c(Cl)cc21)N/N=C/c1ccc(Cl)cc1 1772651214 YKEVLDFPPSGOPS-NUGSKGIGSA-N 421.715 5.024 50 1 HKGF C[C@H](C=Cc1ccccc1)CC=C[C@H](C)C[C@H](C)C[C@@]1(C)C[C@](C)(CC(=O)O)OO1 2356491876 RNPUPYFEZWXDFS-GIDZJRPFSA-N 414.586 6.679 50 1 HKGF C#CCCCCCCCC=CC#CCCC[C@]1(OC)CC[C@H](CC(=O)OC)OO1 2356666853 FWBUUZZBAIZTSB-ISKFKSNPSA-N 404.547 5.097 50 1 HKGF O=C1c2ccccc2-c2c(Cc3ccccc3)c(CBr)nc3cccc1c23 587101299 FNRXHVMQOAPZOJ-UHFFFAOYSA-N 414.302 5.932 50 1 HKGF Cc1ccc([C@]2(CCCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587329286 XPLHCJYZKQSFJO-VWNXMTODSA-N 410.872 5.723 50 1 HKGF COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)n(-c4cccc(C)c4)c1C)[C@@H](C2)C3=O 587418004 QZGWBBLPLMECJX-SQJMNOBHSA-N 421.924 5.293 50 1 HKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1sccc1Cl)CC2=O 587496321 WCBDPFDCKYJXBS-KRWDZBQOSA-N 415.736 5.315 50 1 HKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)C(Cl)Cl 587542396 GZOAHWBOXUOSMW-UTKZUKDTSA-N 401.245 5.053 50 1 HKGF C/C1=C/CC/C(C)=C/[C@H](OC(=O)NCCCl)C[C@](C)(O)/C=C\[C@H](C(C)C)CC1 169363997 ASERFLMHCJBCPH-SESFPTNHSA-N 412.014 5.756 50 1 HKGF CCCc1c(O)ccc2c1O[C@@](c1ccc(F)cc1)([C@H](C)Br)CC2=O 587466441 LFLAPOHQAGZWEQ-FKIZINRSSA-N 407.279 5.128 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1cccc(CBr)c1)O2 587377692 OZCOQQDDYBGCOU-HSZRJFAPSA-N 422.322 5.381 50 1 HKGF Cc1cc(C)c([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1 587541551 CGCLSDFZOQOCRB-ZJSXRUAMSA-N 408.881 5.413 50 1 HKGF CC(C)N=C1CCC[C@@H]1C(=S)SSC(=S)[C@H]1CCCC1=NC(C)C 1857741921 SNLSXBAIXLUAAE-KBPBESRZSA-N 400.704 6.322 50 1 HKGF COC(=O)[C@H](C)[C@H]1CC[C@@](C)(CCC2=C(C)C[C@@H]3C=C(C)CC[C@@H]3C2(C)C)OO1 107142057 SXELECXXRAJAPF-SDWMJKHQSA-N 404.591 6.164 50 1 HKGF CCCCCOc1cc2nc(/C=C/CBr)[nH]c2cc1Br 586972055 DNTLMQHVWNMVOE-AATRIKPKSA-N 402.130 5.303 50 1 HKGF Cc1cc(/C=C(\C#N)c2nc3c(N)ccnc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587058320 YFCKUKRMXZPWOY-NTEUORMPSA-N 423.307 5.319 50 1 HKGF O=C1C[C@@](CBr)(c2c(F)cccc2Cl)Oc2c1ccc1c2CCCC1 587506248 NARWWEAGHYAVGC-HXUWFJFHSA-N 423.709 5.614 50 1 HKGF CCCCCCc1ccc([C@]2([C@@H](C)Cl)c3c(F)cccc3C[C@@H]3CCCN32)cc1 963102406 MMVRRUFXXYDMOR-FRPAHBMMSA-N 414.008 6.840 50 1 HKGF COC(=O)[C@H](C)[C@@H]1CC[C@](C)(CC[C@@]2(C)[C@@H]3CCC=C(C)[C@@]3(C)CC[C@H]2C)OO1 2356619652 ODANAQMVYMSWBA-YFWJQHKQSA-N 406.607 6.244 50 1 HKGF C=C1C=C[C@]2(Br)O[C@H]3C[C@@](C)(Cl)[C@@H](Br)C[C@@]13C2(C)C 105485630 SCVKJKKRVLDQHS-ADNNSEGNSA-N 410.577 5.170 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)([C@H](Br)c1ccccc1)O2 587374267 OVFLLDWLXGRVRM-DHIUTWEWSA-N 422.322 5.574 50 1 HKGF Cc1ccc([C@@]2(CCCCCCCl)c3c(F)cccc3C[C@@H]3CCCN32)cc1F 963103743 LLDUZGQODLJJHH-OFVILXPXSA-N 417.971 6.727 50 1 HKGF CCN(CCCl)CCCCCCNc1c2ccccc2nc2ccc(OC)cc12 5807688 GKJQAVBOVOPIPG-UHFFFAOYSA-N 413.993 5.930 50 1 HKGF CN1CC2=C(OC(N)=C(C#N)[C@H]2c2ccccc2Cl)/C(=C/c2ccccc2Cl)C1 39324385 IBJFONUAFFWWFX-XISXUPMFSA-N 424.331 5.084 50 1 HKGF Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NCCCCC[C@H]1CCSS1)O2 45351186 XMTOUSCPUZQYRA-HTAPYJJXSA-N 423.644 5.231 50 1 HKGF O=C(N/N=C/C1CCCC1)c1cc2c([nH]c3ccccc32)c(-c2ccccc2Cl)n1 73196625 SHHKKINLBBIRSI-VULFUBBASA-N 416.912 5.942 50 1 HKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCCCl)c1cccs1 587615933 YDJQVWWEKNIURK-WIYYLYMNSA-N 400.883 5.330 50 1 HKGF FS(F)(F)(F)(F)c1ccc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c2c1 587954935 FBEWOICHGZDTPA-GOSISDBHSA-N 424.438 7.595 50 1 HKGF BrCCCc1ccc(-c2ccc(CCCBr)s2)s1 1772602870 NZIQSFFCNCSGFU-UHFFFAOYSA-N 408.224 6.132 50 1 HKGF COC(=O)[C@H](C)[C@@H]1CC[C@](C)(CC[C@]2(C)[C@H](C)CC[C@]3(C)[C@H](C)CCC[C@]32O)OO1 2356807397 WIFGSAPFSACDQM-FSEOZTLNSA-N 424.622 5.439 50 1 HKGF C[C@H](Cl)C(=O)Nc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 587102088 PPWCCKKPLJIPSC-AWEZNQCLSA-N 412.876 5.679 50 1 HKGF O=C1C[C@](CBr)(c2ccc(F)c(Cl)c2)Oc2c1ccc1c2CCCC1 587506021 NNVMVPRULWPDTJ-FQEVSTJZSA-N 423.709 5.614 50 1 HKGF C=CCCC=CC=CCCCCCC[C@@H]1CC[C@H]([C@H]2CC[C@H](CC(=O)OC)OO2)O1 2356543474 SNBDLVZWQJBVDH-MOUTVQLLSA-N 420.590 5.996 50 1 HKGF COc1cc2c(cc1OC)[C@@H](Cl)C(c1cc(OC)c(OC)c(OC)c1)=C2Cl 1617197 GHIQGZFHWQYERP-GOSISDBHSA-N 411.281 5.130 50 1 HKGF N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1c(-c2ccc(Cl)cc2)[nH]c2ccccc12 103206966 UFDSODACQKNMCP-FQEVSTJZSA-N 415.880 5.303 50 1 HKGF CC(C)(C)/[N+]([O-])=C/c1ccc(SSc2ccc(/C=[N+](\[O-])C(C)(C)C)cc2)cc1 143790964 NZKJZSGQBBIJCS-MPKYGIEOSA-N 416.612 5.941 50 1 HKGF in-vivo CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc(Oc3ccccc3)cc1)CC2=O 587459165 GIFYPMATPLKGHI-RUZDIDTESA-N 422.908 6.237 50 1 HKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C[C@@H](Br)c1ccccc12 587542424 HDKMGEAQNYRTHC-GTCCEBARSA-N 423.262 5.089 50 1 HKGF COC(=O)[C@@H](C)[C@H]1CC[C@](C)(CC/C=C(\C)CC[C@]2(C)[C@H](C)CCC[C@@]2(C)O)OO1 653730245 PYRDXCUKHATXIK-DUPWRJPFSA-N 424.622 5.749 50 1 HKGF CCCCCCCCCCCCCCCC[C@]1(OC)C=C[C@H](CC(=O)OC)OO1 44386491 ZKFUKHCEACWDKL-ISKFKSNPSA-N 412.611 6.650 50 1 HKGF biogenic C=CCCCCCCC/C=C/C#CCCC[C@]1(OC)CC[C@@H](CC(=O)OC)OO1 137945655 CBSYJKYAPRBDHQ-SDALGCQOSA-N 406.563 5.649 50 1 HKGF Cl[C@H]1[C@@H]2[C@H](C[C@H]1Cl)[C@@]1(Cl)[C@H](Cl)[C@H](Cl)[C@@]2(Cl)C1(Cl)Cl 169365325 AHDSBZOIXGOWCI-MVVHSPSFSA-N 411.798 5.208 50 1 HKGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1F 587338563 XNMJMXXOLVEAJR-FYYLOGMGSA-N 414.835 5.472 50 1 HKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(N=[N+]=[N-])cc1)CC2=O 587456227 LDFAMNDOPWYHMD-LJQANCHMSA-N 416.275 5.542 50 1 HKGF O=C1C[C@](CBr)(c2cc(F)ccc2F)Oc2c1ccc1c2CCCC1 587508649 WQQCQGLFDRLVSF-FQEVSTJZSA-N 407.254 5.099 50 1 HKGF CC1=C(CC/C(C)=C/CC/C(C=O)=C\C[C@H]2OC(=O)C=C2CO)C(C)(C)CCC1 34440886 NHOOOCVVBSQCQH-KXUMGZKHSA-N 400.559 5.379 50 1 HKGF C=C1CCCC(C)(C)[C@]1(O)CC/C(C)=C/CC[C@]1(C)CC[C@@H]([C@@H](C)C(=O)OC)OO1 42876293 RZBOFZRCMWQHOO-ZZXYYDPLSA-N 422.606 5.669 50 1 HKGF CC(C)COc1ccc2c(=O)cc([C@H](C)Br)oc2c1CBr 82156788 GXIDNUNACIIZFR-JTQLQIEISA-N 418.125 5.179 50 1 HKGF C=C1C[C@@H](OC(=O)c2ccccc2)[C@H]2[C@](C)(CO)CCC[C@]2(C)[C@@H]1CC/C(C)=C/C=O 95915099 IQFDAOLIRBRVJU-BRNZMSAPSA-N 424.581 5.519 50 1 HKGF biogenic,in-vitro COc1ccc2c(c1)SC1=NC(c3ccc(Br)cc3)=C/C(=C\C#N)N12 101595383 APZJGPNCOPYNHD-RIYZIHGNSA-N 410.296 5.188 50 1 HKGF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](Br)CCCC3)c1 587358654 SOHCTQCTDWTEJJ-GOSISDBHSA-N 422.322 6.819 50 1 HKGF CCCc1c(O)ccc2c1O[C@](c1ccccc1F)([C@@H](C)Br)CC2=O 587467059 PUIISOFRLIAQQS-ODXCJYRJSA-N 407.279 5.128 50 1 HKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H](Cl)c2ccc(F)cc2)N1 587735525 QFSFZXJLNHKLLU-KTTLUUMZSA-N 400.694 5.457 50 1 HKGF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](OO)C4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 169621255 ZBPNFHYFNDMGAR-CJITWLRWSA-N 418.662 6.857 50 1 HKGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc(F)c(F)c2)[C@@H]1c1ccc(F)cc1 587331305 JCAQUDACIIYXDW-IRLDBZIGSA-N 418.798 5.303 50 1 HKGF C[C@]1(c2cccc(N=C=S)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587378734 WIRUKCYJYQRVJU-FYYLOGMGSA-N 405.450 5.540 50 1 HKGF CCCc1ccc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587685237 OQMKNCKITAYNBW-ZUOKHONESA-N 410.758 5.557 50 1 HKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCCl)(c2ccc(F)cc2F)N1 587724445 IBMVATBWXBJTNO-MLCYQJTMSA-N 418.684 5.273 50 1 HKGF CC(C)(Cl)[C@H](Br)CC/C(=C\CBr)CBr 73275250 TVTWQOIBZCHMDJ-WHXYTISESA-N 411.403 5.264 50 1 HKGF C[C@H]1CC[C@@H](Br)C(C)(C)[C@]12CC[C@](C)(Cl)[C@@H](Br)C2 238762113 SJRIJFXUBVGUEG-XXUMUBMXSA-N 400.626 6.137 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1sc3ccccc3c1C)O2 587414232 RVCFMZAUEKQTMW-FQEVSTJZSA-N 416.340 5.356 50 1 HKGF Fc1ccc([C@]2(CCCCCCl)NCCc3nc4ccccn4c32)cc1Cl 962986310 SJEFLOBFJQWQPS-NRFANRHFSA-N 406.332 5.315 50 1 HKGF CCCCCc1cc2c(c(O)c1COO)[C@H]1C=C(COC(C)=O)CC[C@H]1C(C)(C)O2 2356804428 IOTSKNJKGNLLKB-AZUAARDMSA-N 418.530 5.269 50 1 HKGF CC1=CC[C@H]2[C@@H](C1)c1c(O)cc(C/C=C/CCCBr)cc1OC2(C)C 27747522 JXQDCHGSXWEBFI-RYECEPHISA-N 405.376 6.277 50 1 HKGF CC(=O)N(/N=N/c1cccc(C(F)(F)F)c1)c1cc(C(F)(F)F)ccc1C#N 100985918 RDSOPMYRPLRKOS-OCEACIFDSA-N 400.282 5.648 50 1 HKGF CCCc1c(O)ccc2c1O[C@](C)(c1cccc(S(F)(F)(F)(F)F)c1)CC2=O 587472028 OYWANUVFXXVYTL-IBGZPJMESA-N 422.415 6.883 50 1 HKGF Cc1cc(-n2c(C)cc([C@@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)c2C)no1 587497759 KTJBTJOFLALRPU-DEOSSOPVSA-N 424.928 5.369 50 1 HKGF CC[C@H](C)c1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587541493 CBOWWEKKLMFARG-AGSBLFPASA-N 422.908 6.002 50 1 HKGF C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)[C@H](CCCBr)C[C@@H]12 28655072 QIBFTUPHZNXQJH-GZNZXPAWSA-N 413.440 5.152 50 1 HKGF Cc1cnc(Nc2ccc(C#N)cc2)nc1[C@@H](Cl)c1ccc(Br)cc1 169349010 FUUBLUFSYVRFGO-KRWDZBQOSA-N 413.706 5.491 50 1 HKGF Cc1cccc(-n2c(C)cc([C@]3(CCl)CC(=O)c4cc(C)cc(N)c4O3)c2C)c1 587371548 GRBXBLAPPAMIGF-XMMPIXPASA-N 408.929 5.393 50 1 HKGF CC(=O)Nc1ncc2ccccc2c1-c1ccc(N(CCCl)CCCl)cc1 1558842 MYZSGWKSWAWFKX-UHFFFAOYSA-N 402.325 5.144 50 1 HKGF CC1(C)O[C@@](C)([C@@H]2CC[C@@](C)(Cl)[C@H](Br)C2)CC[C@H]1Br 49780380 FIHHUYBIKUKVFD-URFZWBKFSA-N 416.625 5.659 50 1 HKGF C=C(c1ccc2ccccc2c1)C1CCC2(CC1)CO[C@@H](Nc1ccc(F)cc1)OO2 64448109 FQHUPJUDZWYAPE-MMTWIKPJSA-N 419.496 6.295 50 1 HKGF O=C1C[C@](CBr)(c2coc3ccccc23)Oc2c1ccc1c2CCCC1 587498909 JZCAXFIMHSNKFQ-QFIPXVFZSA-N 411.295 5.567 50 1 HKGF CCc1ccc(CC)c([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587543680 LIVPADMFRLDQNS-DHLKQENFSA-N 422.908 5.613 50 1 HKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc3c(c2)CCC3)([C@@H](C)Cl)N1 587686702 DIZPMUULIVOQPZ-SQHYZVFZSA-N 422.769 5.482 50 1 HKGF CC1(C)[C@H](C(Cl)Cl)[C@@]2(Cl)[C@H](Cl)[C@H](Cl)[C@]1(Cl)C2(Cl)Cl 8214715 HRBUJQUHXGOSQW-YZWGPGEHSA-N 413.814 5.804 50 1 HKGF in-vitro CC(=C[C@H](O)[C@@H]1C(C)=C(C)CCC1=C(C)C)[C@@H]1CC[C@](C)(O)[C@@H](Br)C1 2356554426 WRAWOJYEALVOIS-KHSAKVFQSA-N 411.424 5.691 50 1 HKGF CC(C=CC=O)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C(=O)[C@H](O)CC1(C)C 2356418189 ZHKFZFYUBBVZGB-RUZDIDTESA-N 406.566 5.925 50 1 HKGF C=C1CCCC(C)(C)[C@@]1(O)CC/C(C)=C/CC[C@]1(C)CC[C@@H]([C@@H](C)C(=O)O)OO1 96911635 RJSBLBVYBHFZDR-UTPZYTKYSA-N 408.579 5.581 50 1 HKGF COC(=O)c1cc(Cl)c2[nH]c([C@H](C)c3ccc(CBr)cc3)nc2c1 586974149 RJAXNEHKEYKGCN-SNVBAGLBSA-N 407.695 5.050 50 1 HKGF C[C@@H](c1ccc(CBr)cc1)c1nc2ccc(SC(F)(F)F)cc2[nH]1 586974371 VRNSIZZSYZZJSF-JTQLQIEISA-N 415.278 6.222 50 1 HKGF O=C1c2ccc(O)cc2O[C@]2(c3ccccc3CC[C@H]2Cl)[C@H]1c1ccc(F)cc1 587332621 SWCFEQKDPQQJEJ-GPXNEJASSA-N 408.856 5.339 50 1 HKGF CC(=CCCC(C=O)=CC[C@@H]1OC(=O)C=C1CO)CCC1=C(C)CCCC1(C)C 2356525323 NHOOOCVVBSQCQH-QHCPKHFHSA-N 400.559 5.379 50 1 HKGF C=C1CCCC(C)(C)[C@]1(O)CCC(C)=CCC[C@]1(C)CC[C@H]([C@H](C)C(=O)OC)OO1 2356531196 RZBOFZRCMWQHOO-JMLJLYKJSA-N 422.606 5.669 50 1 HKGF C=C[C@@](C)(O)CC[C@@H]1[C@]2(C)CC[C@@H](O2)[C@@]1(C)CC[C@H](Br)C(C)(C)Cl 13431201 VSSCBHMVVWLKMO-WZLKLWACSA-N 421.847 5.839 50 1 HKGF C=C1C(CCl)(CCl)[C@@]2(Cl)[C@H](Cl)[C@H](Cl)[C@]1(Cl)C2(Cl)Cl 17263706 OEJNXTAZZBRGDN-FAYXRDSDSA-N 411.798 5.378 50 1 HKGF COc1cc2c3c(c1)O[C@@](CCCBr)(c1ccc(Cl)cc1)[C@@H](C2)C3=O 587414592 WKHSZXRYALYAGP-JXFKEZNVSA-N 421.718 5.167 50 1 HKGF N#C/C(=C\c1ccc(OCCN2CCCCC2)cc1)c1noc2ccc(Cl)cc12 40554486 BNCGGKWASOFCCK-NBVRZTHBSA-N 407.901 5.410 50 1 HKGF CCCc1c(O)ccc2c1O[C@](C)([C@H](Br)Cc1ccccc1F)CC2=O 587466339 KHUVGHXCYMTJLQ-CTNGQTDRSA-N 421.306 5.214 50 1 HKGF C[C@H](Cl)[C@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587503443 OCRJBNFWHCCICZ-ZSEKCTLFSA-N 419.746 5.816 50 1 HKGF Fc1cccc(Cl)c1-c1c(CCl)[nH]c2c1c(Br)cc1n[nH]cc12 587622344 LEBZJNSXUYNYOE-UHFFFAOYSA-N 413.077 6.005 50 1 HKGF Cc1c(F)ccc2c1[C@@](CBr)(c1cccc(Cl)c1Cl)NCC2 962092829 NQSASLMPYRBVET-QGZVFWFLSA-N 403.122 5.225 50 1 HKGF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](C)(c2cccc(S(F)(F)(F)(F)F)c2)N1 962949553 PPGASHJDOWSNJJ-XOBRGWDASA-N 416.459 7.013 50 1 HKGF C[C@@H]1CC[C@H]2[C@@H](CCCc3ccc(Cl)cc3)C(=O)O[C@H]3O[C@@]4(C)CC[C@@H]1[C@]23OO4 195293257 PVKNOCBVDQYQDN-ILLNQNOPSA-N 420.933 5.051 50 1 HKGF CC(C)[Si](OC1=C(C(=O)Nc2ccccc2Cl)CCCCC1)(C(C)C)C(C)C 195498636 PTOFASSHHGOKGZ-UHFFFAOYSA-N 422.085 7.689 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1c[nH]c3ccccc13)([C@@H](Cl)c1ccccc1)O2 587374346 XCBHQRAHQMERBX-DQEYMECFSA-N 416.908 5.899 50 1 HKGF COc1cc2c3c(c1)O[C@](c1ccc(C(C)C)cc1C(C)C)([C@@H](C)Cl)[C@@H](C2)C3=O 587416957 GVVROYDEAXGCFD-WJGUHTKASA-N 412.957 6.212 50 1 HKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(Cl)cc2)N1 587686381 URKLKDBOCHGTQQ-QGHHPUGFSA-N 403.122 5.258 50 1 HKGF Cc1c([C@@]2(CBr)c3c(F)cccc3C[C@H]3CCCN32)oc2ccccc12 963102021 JYMCRMOZACVFEW-OPAMFIHVSA-N 414.318 5.539 50 1 HKGF N#C/C(=C\c1cccc(Oc2ccc(Cl)c(Cl)c2)c1)c1nc2ccccc2s1 1857607943 IVXBPIWZMUSOIR-XNTDXEJSSA-N 423.324 7.460 50 1 HKGF Cc1ccc(C2=C[C@H](c3c(-c4ccccc4)[nH]c4ccc(C)cc34)C(C#N)=C(N)O2)cc1 95603581 COZHZCZMHXHUCG-NRFANRHFSA-N 417.512 6.301 50 1 HKGF Cc1c([C@]2(CBr)c3c(F)cccc3C[C@H]3CCCN32)oc2ccccc12 963102023 JYMCRMOZACVFEW-ZHRRBRCNSA-N 414.318 5.539 50 1 HKGF O=P(CCCCCCN=C=S)(OCc1ccccc1)OCc1ccccc1 1772572031 MIHYUPVIXUBPCL-UHFFFAOYSA-N 403.484 6.276 50 1 HKGF C=C(Cl)[C@](Cl)(CCl)CC[C@@H](Br)C(C)(C)Br 1639189 OIAPZPRVTLHFSD-PSASIEDQSA-N 401.397 5.673 50 1 HKGF CCO/C(O)=C1\C(CSc2ccncc2)=NC(C)=C(C#N)[C@@H]1c1ccccc1C 40447658 MJZYIQXTCMOKJT-JSMIYBGHSA-N 405.523 5.324 50 1 HKGF COc1cccc(-c2cc(-c3ccc(N=C=S)cc3)nc3c2oc2ccccc23)c1 587365144 JJZPDXIGJWFXEE-UHFFFAOYSA-N 408.482 7.058 50 1 HKGF C[C@@]1(c2ccc(NC(=O)CCCCl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587498201 MNLGFKQXMYTVNX-DEOSSOPVSA-N 411.929 5.404 50 1 HKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ccc(F)c(Cl)c1 587558725 TUPSOIDKQQEUBS-GHTZIAJQSA-N 419.235 5.281 50 1 HKGF CC(C)C(=O)Nc1ccc([C@@]2(CCl)NCCc3c(Cl)cc(Cl)cc32)cc1 963114123 WVKINGWKWWPXMH-HXUWFJFHSA-N 411.760 5.216 50 1 HKGF C[C@H](CCCCC=CCCC=Cc1ccccc1)C[C@]1(C)C[C@](C)(CC(=O)O)OO1 2356514326 CRORVGKIBBBYNQ-RCXJIHSJSA-N 414.586 6.967 50 1 HKGF O=C(N/N=C/c1ccccc1Cl)c1cc2c([nH]c3ccccc32)c(-c2ccccc2)n1 45302325 YUPDVBJIUAJUGE-JFLMPSFJSA-N 424.891 5.800 50 1 HKGF [C-]#[N+][C@]12C=CC(C)(C)c3[nH]c4cccc5c4c3[C@@H]1[C@H](C[C@@H](Cl)[C@]2(C)C=C)C5(C)C 238761663 PNVWMFSPPMVRIK-KMUXQVNESA-N 404.985 6.868 50 1 HKGF N=C(Nc1ccc(CNC(=O)CCCC[C@@H]2CCSS2)cc1)c1cccs1 13917814 DOVFOSQFCBVMSP-QGZVFWFLSA-N 419.641 5.516 50 1 HKGF S=C(SSC(=S)N1CCc2ccccc2C1)N1CCc2ccccc2C1 45317065 RXSZRGMRAQEECZ-UHFFFAOYSA-N 416.662 5.054 50 1 HKGF FS(F)(F)(F)(F)c1ccc2nc(/C=C/c3cccc(Cl)c3Cl)[nH]c2c1 587054169 MBIHPPBHASOHOX-QPJJXVBHSA-N 415.214 7.698 50 1 HKGF COc1ccc(NC(C)(C)c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 587201862 XUYWGZDWLAHHNO-UHFFFAOYSA-N 407.408 6.576 50 1 HKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2cccc3cc[nH]c23)N1 587683599 HRJAOBGDQLBDTM-JEOXALJRSA-N 407.714 5.086 50 1 HKGF C[C@H](Cl)[C@@]1(c2ccccc2)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962627663 HJNUHMZQIBSUIB-HQCZVFHSSA-N 402.969 5.304 50 1 HKGF C[C@H](C(=O)O)[C@@H]1CC[C@](C)(CC[C@]2(O)[C@H](C)CC[C@@]3(C)C(C)(C)CCC[C@@]23C)OO1 2356803509 XDZGQQRZJDKPTG-LYNQSHAFSA-N 424.622 5.740 50 1 HKGF CC(C)=CCC/C(C)=C/C=C/C(C)=C\C=C/C(C)=C\C=C/C=C(C)/C=C\C=C(/C)C=O 225644699 AQXFMDSHWVVBIM-LGBKUHDPSA-N 416.649 8.888 50 1 HKGF CC(C)(C)[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587321718 KMVKRXPTLMHKEJ-FXAWDEMLSA-N 407.279 5.070 50 1 HKGF COc1cccc(-c2c(C)c(CCCBr)nc3c2oc2ccccc23)c1 587361201 SHESKBVKWJMVIZ-UHFFFAOYSA-N 410.311 6.293 50 1 HKGF CCCc1ccc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587685236 OQMKNCKITAYNBW-XCLFUZPHSA-N 410.758 5.557 50 1 HKGF CCOc1ccc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587686632 WHMDLDMDSJKXPS-BUXKBTBVSA-N 412.730 5.004 50 1 HKGF C/C(=C\CCc1coc(Cc2ccoc2)c1)CCC[C@@H](C)CC(=O)[C@@H](O)[C@@H](C)Cl 34363967 XJDJFTYVYSQNPJ-PKTMJHONSA-N 420.977 6.096 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)n(-c3cccc(F)c3)c1C)O2 587384728 NUBSTRZJQXGCGX-QHCPKHFHSA-N 412.892 5.223 50 1 HKGF COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)n(CCC(C)C)c1C)[C@@H](C2)C3=O 587416859 FYLUZDDTLRBSKI-CVDCTZTESA-N 401.934 5.041 50 1 HKGF CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@H](Br)CC)CC2=O 587454554 YNNWPUSFNFBPOP-TZIWHRDSSA-N 403.316 5.379 50 1 HKGF CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@](C)(CBr)[C@@H]3CC#N)C1 653766333 OSUUFIUIGMABFV-QKKHWQHCSA-N 408.380 5.396 50 1 HKGF CO[C@@H]1OC(=O)C=C1C=CC=C(C=O)CCC=C(C)CCC1=C(C)CCCC1(C)C 2356799391 UKFUINKTZXCESL-RUZDIDTESA-N 412.570 6.157 50 1 HKGF O=C1c2ccc(O)cc2O[C@](CCCCl)(c2ccccc2)[C@@H]1c1ccc(F)cc1 587325452 FTDBPWNSUMPELK-ISKFKSNPSA-N 410.872 5.805 50 1 HKGF Cc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 587379317 XXWXCXDNWAGEGP-CTNGQTDRSA-N 402.874 5.394 50 1 HKGF CCCCC(CCCC)N(NC(=O)c1ccccc1Cl)C(=O)c1ccccc1 43062392 QZJSXXQDJAGUJF-UHFFFAOYSA-N 400.950 5.876 50 1 HKGF C=C1[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1/C=C/c1ccoc1 195083659 ZOUZDQFATNKFCE-CLQLSMGXSA-N 414.706 8.092 50 1 HKGF Cc1ccc(/C=C(\C#N)c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc1 587188126 OHIWIKYAYVXHKK-WUXMJOGZSA-N 406.205 5.717 50 1 HKGF Cc1ccc([C@@H](Cl)[C@@]2(c3ccc(C)cc3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587371558 GTJQSRXNGBDIGP-RPBOFIJWSA-N 405.925 6.035 50 1 HKGF CCc1ccc([C@]2(CCl)c3ccccc3CCN2[C@@H](C#N)c2ccccc2)s1 963188225 AJIIFDDPKYTGQT-UPVQGACJSA-N 406.982 5.916 50 1 HKGF C[C@H](c1ccc(CBr)cc1)c1nc2ccc(SC(F)(F)F)cc2[nH]1 586974373 VRNSIZZSYZZJSF-SNVBAGLBSA-N 415.278 6.222 50 1 HKGF CC(C)OC(=O)C1(c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)CC(F)(F)C1 587131517 LULGBECWOPRHPH-UHFFFAOYSA-N 420.350 5.839 50 1 HKGF O=C1C[C@@H](c2ccccc2OCCBr)Oc2c1ccc1c2CCCC1 587498190 FZKNPMABQPBRAA-FQEVSTJZSA-N 401.300 5.046 50 1 HKGF CC[C@H](c1ccc(O)cc1)[C@@H](CC)c1ccc(OC[C@@H](O)CBr)cc1 27518010 LPIKREBYEDEYPJ-TYPHKJRUSA-N 407.348 5.214 50 1 HKGF CCCOc1cc2nc([C@H](Br)C(C)(C)F)[nH]c2cc1Br 587086962 KEDNUMOHOBWOLR-LBPRGKRZSA-N 408.109 5.298 50 1 HKGF Fc1ccc(-c2ccsc2-c2nc3cc(S(F)(F)(F)(F)F)ccc3[nH]2)cc1 587162363 ADEFOWMJDZFJOE-UHFFFAOYSA-N 420.403 7.755 50 1 HKGF C[C@H](Cl)[C@@]1(c2c[nH]c3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587546889 YQHOUJQADXKYDY-WVRMYWEISA-N 419.864 5.358 50 1 HKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(Cl)s2)N1 587848927 QABWJWBNEQOPHI-AYVTZFPOSA-N 409.151 5.320 50 1 HKGF CC(C)/N=C1\CCC[C@@H]1C(=S)SSC(=S)[C@H]1CCC/C1=N\C(C)C 5432684 SNLSXBAIXLUAAE-QZEWNKBHSA-N 400.704 6.322 50 1 HKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(-c3ccccc3)c1C)CC2=O 587460617 NZQNFPRBDHOFFS-RUZDIDTESA-N 423.940 5.852 50 1 HKGF C[C@@]1(c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 587175313 YAPYWFYASMYRBZ-KRWDZBQOSA-N 422.350 5.988 50 1 HKGF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(C#N)=COc2c(Cl)cc(Cl)cc21 587462553 PFJOGRJOKIRRIF-OAQYLSRUSA-N 416.260 5.312 50 1 HKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(F)c(C)c1)CC2=O 587467848 SVXBQZCMXPZLOS-HXUWFJFHSA-N 407.279 5.048 50 1 HKGF Cc1cc(Cl)cc2c(NC(=O)CCl)c(-c3ccccc3Br)[nH]c12 587624202 ZYDZUJYXIPXGAG-UHFFFAOYSA-N 412.114 5.737 50 1 HKGF COc1ccc([C@]2([C@H](C)Cl)c3cccc(F)c3CCN2[C@@H]2CCSC2)cc1 962706914 MSGKIHGVCKUWTA-LBUQITIBSA-N 405.966 5.069 50 1 HKGF CC(C)=CCC[C@H](C)[C@@H]1CC[C@@H](C)c2c(OCCCCBr)cc(C)cc21 84652160 YYNIMYWZMRGEPK-HBMCJLEFSA-N 421.463 7.912 50 1 HKGF Cc1ccc(C)c([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587324990 BJSVBPLWASMHJE-ISKFKSNPSA-N 410.872 5.641 50 1 HKGF CCCN1[C@H](C)Cc2ccccc2[C@]1(/C(C#N)=C/c1ccccc1[N+](=O)[O-])C(C)(C)C 963228635 MEZOHIGELKAJKW-JURUWZBJSA-N 417.553 6.100 50 1 HKGF C=C1[C@@H]2CCC(C)=C[C@@H]2C[C@H](C)[C@]1(C)CC[C@]1(C)CC[C@H]([C@@H](C)C(=O)OC)OO1 2356435229 VSEZUKGTWQYFLZ-YIKGLWKNSA-N 404.591 6.020 50 1 HKGF CC(C)C=C[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]23C=C[C@@]2(C[C@@H](O)CC[C@]12C)OO3 2356535826 KHLDJVKLPVTEEX-GGXUNFHASA-N 400.603 5.838 50 1 HKGF CCCCC/C(CCCCCCC/C(CCCCC)=N/NC(N)=O)=N/NC(=N)O 34377784 HXBPRZDLENABBF-ZFQRDYFNSA-N 410.607 5.340 50 1 HKGF C=C(c1ccccc1)[C@@H]1COC2(CCC(Nc3cccc4ccccc34)CC2)OO1 43888756 HWZFKWOEKVZKFP-FQHXLYSSSA-N 401.506 5.951 50 1 HKGF O=C1C[C@](CCl)(c2ccc(C3CCCCC3)cc2)Oc2c1ccc1c2CCCC1 587497662 JUSOXDPQZIREMB-SANMLTNESA-N 408.969 6.713 50 1 HKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCCCl)c1ccc(F)cc1 587571719 PBJMCBLQJVRLDK-NZQKXSOJSA-N 412.844 5.407 50 1 HKGF C[C@H](Cl)[C@]1(c2ccc(F)c(F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 587725928 SYNYFZRCJGBGHN-AUSHCKSDSA-N 418.684 5.272 50 1 HKGF CC(C)c1ccc(N=C=S)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 587895574 GBZANBHQYKXESC-UHFFFAOYSA-N 417.361 5.562 50 1 HKGF Br[C@@H]1CCCCCCCCCC[C@@]12NCCc1nc3ccccn3c12 962986463 UIGLIKMAFXCQNO-WIYYLYMNSA-N 404.396 5.353 50 1 HKGF C[C@@H](CCC[C@H](C)CCCCc1ccccc1)C[C@]1(C)C[C@H](C)[C@H](CC(=O)O)OO1 2356493230 LSXRGRHXZNJETP-QWZRYHCCSA-N 418.618 6.822 50 1 HKGF CCOc1ccccc1[C@@H]1C(C#N)=C(C)N=C2C[C@@H](c3ccc(Cl)cc3)CC(O)=C21 103637227 KKQOBLSIWYXZNW-MZNJEOGPSA-N 418.924 6.464 50 1 HKGF C[C@@H](c1ccc(CBr)cc1)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 586974370 VOSUWEWAJFKLFJ-VIFPVBQESA-N 401.201 5.768 50 1 HKGF O=C1c2ccc(O)cc2OC2(CCC(CBr)CC2)[C@H]1c1ccc(F)cc1 587320311 FIBUYDCLUHEPBD-AVXBSWCMSA-N 419.290 5.214 50 1 HKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc3c(c2)CCCC3)N1 587685337 PQXQDVRAJWRTSX-ZSEKCTLFSA-N 422.769 5.484 50 1 HKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCCCl)(c2cccs2)N1 587844492 AUQMZKRYOZTZSQ-GTNSWQLSSA-N 402.760 5.447 50 1 HKGF CCCc1c(O)ccc2c1O[C@](c1ccc(C)cc1)([C@@H](C)Br)CC2=O 587456275 LXAMSDLVPYAOMN-SZNDQCEHSA-N 403.316 5.297 50 1 HKGF Cc1cc(C)c([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1C 587541677 CWUKQAVBSLSXTR-DHLKQENFSA-N 422.908 5.722 50 1 HKGF Cc1ccccc1[C@]1(CCCCl)c2ccccc2CCN1[C@@H](C#N)c1ccccc1 963201978 HDCFWWROCUSWCG-RRPNLBNLSA-N 414.980 6.381 50 1 HKGF CCCCCCCCCCCCOc1ccc(/C=C(\C)C(=O)OCCCl)cc1 43411814 KCIAPRRZGBLOFA-QZQOTICOSA-N 409.010 7.172 50 1 HKGF CCCCCCCCCCCCCCCC[C@@]1(OC)C=C[C@H](CC(=O)OC)OO1 44430897 ZKFUKHCEACWDKL-VWNXMTODSA-N 412.611 6.650 50 1 HKGF biogenic C=C1[C@H]2CCC(C)=C[C@H]2C[C@H](C)[C@@]1(C)CC[C@]1(C)CC[C@H]([C@H](C)C(=O)OC)OO1 238752087 VSEZUKGTWQYFLZ-ARKKXJOCSA-N 404.591 6.020 50 1 HKGF CCCC(Br)(CCC)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 586971747 XMXBLZQKKILAHY-UHFFFAOYSA-N 421.273 7.411 50 1 HKGF C[C@H](CSc1ccc(F)cc1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587170981 WMCLVGZUYXVFPX-SNVBAGLBSA-N 412.424 7.255 50 1 HKGF COc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587326071 JOGVTANMCWOLOC-GMAHTHKFSA-N 412.844 5.033 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Cl)cc1Cl)(C(Cl)Cl)O2 587373086 PPTOBWPMLIAJQV-QGZVFWFLSA-N 405.108 5.548 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1csc3ccccc13)O2 587415595 VHJVDLCWMUZKAQ-IBGZPJMESA-N 402.313 5.048 50 1 HKGF Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccccn1 587495979 BEFTXEMGMGJSDX-RUZDIDTESA-N 420.940 5.467 50 1 HKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Cl)cc(CCl)c1 587883070 VCXDLMPOGCLVFM-UHFFFAOYSA-N 401.120 5.096 50 1 HKGF N#CC(=C(/N)Sc1ccccc1Cl)/C(C#N)=C(\N)Sc1ccccc1Cl 34802606 VOOVZERLLAVXQB-JYFOCSDGSA-N 419.362 5.266 50 1 HKGF COC(=O)[C@H](C)[C@H]1CC[C@@](C)([C@H]2C[C@@H]3C(C)(C)[C@H]4CCC(C)=C[C@H]4C[C@@]3(C)O2)OO1 73224348 PNOATZDSQDNWLZ-NJXQHIOYSA-N 420.590 5.231 50 1 HKGF CCCc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587324813 ADKCIHVFUJNZDH-UKILVPOCSA-N 424.899 5.977 50 1 HKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1C1CC1 587545697 SGKFKTBTRJSMKC-QPPBQGQZSA-N 423.896 5.241 50 1 HKGF CC1(C)C(Br)=C([C@H](Cl)CBr)CC[C@H]1Br 43382120 CYZCHHADPFRZIU-HTQZYQBOSA-N 409.387 5.221 50 1 HKGF biogenic COCCc1nc2nc(C)cc(Nc3ccc(S(F)(F)(F)(F)F)cc3)n2n1 73314905 IHPWSHXNCDWAMS-UHFFFAOYSA-N 409.384 5.023 50 1 HKGF CC[C@H](Cl)CC[C@H](Cl)[C@H](Cl)C[C@H](Cl)[C@@H](Cl)[C@@H](Cl)CCl 299847846 HPSUPGAVFFFPMQ-ANNWIZPPSA-N 411.455 6.450 50 1 HKGF Cc1cc(/C=C(\C#N)c2nc3cnccc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587056854 SFZBVMRWXRYFCM-OQLLNIDSSA-N 408.292 5.736 50 1 HKGF COc1cc2c3c(c1)O[C@@](c1ccc(C)c(Cl)c1)([C@@H](C)Br)[C@@H](C2)C3=O 587415927 ZHIQTGDWZCQXRH-LQGCGHSZSA-N 421.718 5.083 50 1 HKGF CN1CC2=C(OC(N)=C(C#N)[C@@H]2c2ccccc2Cl)/C(=C/c2ccccc2Cl)C1 39324386 IBJFONUAFFWWFX-VPFXQZGESA-N 424.331 5.084 50 1 HKGF CC(=O)CCCC(C)(C)C(=O)CC/C(C)=C/CC[C@@]1(C)CC[C@H]([C@H](C)C(=O)O)OO1 42891043 UCWHHFGTUDDROG-VOXNSMEVSA-N 424.578 5.438 50 1 HKGF N#CC1=C(N)Oc2c(ccc3ccccc23)[C@@H]1c1ccccc1C#CC1(O)CCCCC1 73161155 OIGNSUMUMIZBML-VWLOTQADSA-N 420.512 5.105 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)n(Cc3ccccc3)c1C)O2 587373968 UUZBPGULWDWGRF-XMMPIXPASA-N 408.929 5.143 50 1 HKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2cccc(Cl)c2)N1 587689276 RJPVUPJSEWWLOD-QGHHPUGFSA-N 403.122 5.258 50 1 HKGF C/C(C=C=C1C(C)(C)C[C@@H](O)C[C@]1(C)O)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=O 95636281 DTXLMVIHOKFQAR-LLPGXOOJSA-N 408.582 5.706 50 1 HKGF in-vitro O=C1c2ccccc2-c2cc([C@H](Br)c3ccccc3)nc3cccc1c23 587100929 BOWJUDRHJDIEAF-JOCHJYFZSA-N 400.275 5.931 50 1 HKGF Cc1cc(C)c([C@]2([C@H](C)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C 587688388 MCIDSIPUQYQQOP-WIEQDCTASA-N 424.785 5.919 50 1 HKGF C=C1CC[C@H](Br)C(C)(C)[C@@H]1Cc1cc(OC)c(Br)cc1O 3833833 UHRXKJFPPKYYEC-WBMJQRKESA-N 418.169 5.462 50 1 HKGF biogenic CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc3c(c1)CCC3)CC2=O 587456543 QMYQWHLFHKIFKT-QFIPXVFZSA-N 415.327 5.089 50 1 HKGF CCCc1c(O)ccc2c1O[C@@](CCBr)(c1ccc(F)cc1)CC2=O 587469396 ZFAGAQVNJDFODV-HXUWFJFHSA-N 407.279 5.130 50 1 HKGF O=C(N/N=C/c1cccc(Cl)c1)c1cccnc1Nc1cccc(C(F)(F)F)c1 98082283 OMBVOYLMWAWERW-RPPGKUMJSA-N 418.806 5.261 50 1 HKGF COC(=O)[C@H](C)[C@H]1CC[C@@](C)([C@@H]2C[C@]3(C)[C@@H](C)C[C@@H]4C=C(C)CC[C@@H]4[C@]3(C)O2)OO1 238735232 ZUKFYDKHJLXOAT-HLLCLQDGSA-N 420.590 5.231 50 1 HKGF C=C1C=C[C@@]2(Br)O[C@@H]3C[C@@](C)(Cl)[C@H](Br)C[C@@]13C2(C)C 238758243 SCVKJKKRVLDQHS-OKNSCYNVSA-N 410.577 5.170 50 1 HKGF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](Br)CCC3)c1 587358005 NTFAKVQTZFNCJZ-QGZVFWFLSA-N 408.295 6.429 50 1 HKGF CCCc1c(O)ccc2c1O[C@@](CSC#N)(c1ccccc1C(F)(F)F)CC2=O 587461548 NFZZUIIKSQKOMQ-FQEVSTJZSA-N 421.440 5.438 50 1 HKGF C[C@]1(c2ccccc2NC(=O)CCCCl)CC(=O)c2ccc3c(c2O1)CCCC3 587496019 BGCYKTAOEYQTBC-XMMPIXPASA-N 411.929 5.404 50 1 HKGF O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc(F)cc2F)[C@@H]1c1ccc(F)cc1 587333341 NJSNHDCHFGKGQM-IFMALSPDSA-N 418.798 5.303 50 1 HKGF CCCc1c(O)ccc2c1O[C@](c1ccc(Br)cc1)([C@H](C)Cl)CC2=O 587458054 PIFAYYWIDPNLEM-YUNKPMOVSA-N 423.734 5.595 50 1 HKGF N#C/C(=C\c1ccc(-c2ccc(C(=O)O)cc2)s1)c1nc2ccc(Cl)cc2[nH]1 1857542876 KCRGBCOERUHZLY-NTEUORMPSA-N 405.866 5.707 50 1 HKGF C=C[C@@](C)(O)CC[C@H]1[C@](C)(CC[C@H](Br)C(C)(C)Cl)[C@@H]2CC[C@@]1(C)O2 6067807 VSSCBHMVVWLKMO-BRMIGGSTSA-N 421.847 5.839 50 1 HKGF CC1=CC[C@@H]2[C@H](C1)c1c(O)cc(C/C=C/CCCBr)cc1OC2(C)C 27747533 JXQDCHGSXWEBFI-UKZKYTFVSA-N 405.376 6.277 50 1 HKGF COOC1(OOCCCI)CCCCCCCCCCC1 43663920 BGLWRNGLVVXCOX-UHFFFAOYSA-N 414.324 5.339 50 1 HKGF CCN(Cc1ccccc1)C(=S)SSC(=S)N(CC)Cc1ccccc1 45301888 LHVXHXIGDKZIBU-UHFFFAOYSA-N 420.694 5.982 50 1 HKGF COC(=O)[C@@H](C)[C@H]1CC[C@@](C)(CCC2=C(C)C[C@@H]3C=C(C)CC[C@@H]3C2(C)C)OO1 73317171 SXELECXXRAJAPF-JAIZWOJHSA-N 404.591 6.164 50 1 HKGF FS(F)(F)(F)(F)c1ccc2nc(-c3cc(Cl)nc4ccccc34)[nH]c2c1 587084578 CPNJVAKPMFVGRL-UHFFFAOYSA-N 405.779 7.089 50 1 HKGF COc1cc2c3c(c1)O[C@](c1ccc(C)c(Cl)c1)([C@@H](C)Br)[C@@H](C2)C3=O 587415932 ZHIQTGDWZCQXRH-SZELWCTASA-N 421.718 5.083 50 1 HKGF CCCc1c(O)ccc2c1O[C@@](CCl)(COc1ccc(C(C)C)cc1)CC2=O 587458104 GJWCHYBOZHSADI-QHCPKHFHSA-N 402.918 5.490 50 1 HKGF COc1ccc([C@@]2(CCCCCCCl)c3c(F)cccc3C[C@@H]3CCCN32)cc1 963116436 WZNXKISGCCAVHS-OFVILXPXSA-N 415.980 6.288 50 1 HKGF CCCCC(CCCC)N(NC(=O)c1cc(C)cc(C)c1)C(=O)c1ccc(CC)cc1 43076528 XNTXQEJIZAFYFB-UHFFFAOYSA-N 422.613 6.402 50 1 HKGF C=C1CC[C@H](Br)C(C)(C)[C@H]1Cc1cc(O)c(Br)cc1OC 2356794880 LNRQNLLHADGLMJ-LRDDRELGSA-N 418.169 5.462 50 1 HKGF Cc1cccc2nc(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c12 587056290 OPAQXUMQKMBJRW-GZTJUZNOSA-N 421.331 6.650 50 1 HKGF COc1cc(OC)c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1CCl 587104180 PNMHJIXHPGQBIB-UHFFFAOYSA-N 415.876 5.869 50 1 HKGF O=C1c2ccc(O)cc2O[C@](CCl)(c2cc(F)ccc2F)[C@H]1c1ccc(F)cc1 587332015 KRRINSZNXIWGAL-RBBKRZOGSA-N 418.798 5.303 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Cl)cc1Cl)(C(Cl)Cl)O2 587373078 PPTOBWPMLIAJQV-KRWDZBQOSA-N 405.108 5.548 50 1 HKGF Cc1cc(F)c([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1F 587556913 KWSJWSLLTBNQAY-UGKGYDQZSA-N 416.807 5.075 50 1 HKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCCl)(c2ccccc2F)N1 587724922 AFMWZDNSABJPDF-BBATYDOGSA-N 400.694 5.134 50 1 HKGF Cn1cccc1CN1CCc2sccc2[C@@]1(CCCCl)c1ccc(C#N)cc1 962377351 WMNOBYSBYWTXTP-HSZRJFAPSA-N 409.986 5.279 50 1 HKGF N/C(=N\c1ccc(CNC(=O)CCCC[C@H]2CCSS2)cc1)c1cccs1 13441931 DOVFOSQFCBVMSP-KRWDZBQOSA-N 419.641 5.115 50 1 HKGF O=C(Cc1ccccc1)NCCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587228985 WYPUOZDAVMKSTK-UHFFFAOYSA-N 405.392 5.122 50 1 HKGF C/C(=C\CC[C@]1(C)CC[C@H]([C@@H](C)C(=O)O)OO1)CC[C@]12O[C@]1(C)CCCC2(C)C 102157998 ZJDQUUJWNSJRQH-VLAZVIFXSA-N 408.579 5.821 50 1 HKGF N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1c(-c2ccc(Cl)cc2)[nH]c2ccccc12 103206969 UFDSODACQKNMCP-HXUWFJFHSA-N 415.880 5.303 50 1 HKGF C[C@H](Cl)[C@]1(Cc2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587324605 RQPYVJKSKXOKRW-PPYUERFYSA-N 410.872 5.499 50 1 HKGF C[C@H]1C[C@@](C)(C[C@H](C)CCCCCCCCc2ccccc2)OO[C@@]1(O)CC(=O)O 2356651254 GUSPWEANGOMOST-WIVXBSKCSA-N 420.590 5.896 50 1 HKGF CCCCCCCC[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](Cl)CC[C@]4(C)[C@H]3CC[C@]12C 2356743347 VPYNRYXSMJMETL-ZSVBKCCTSA-N 405.110 8.923 50 1 HKGF CC(=O)O[C@@H]1CC(C)(C)C(=C=CC(C)=CC=CC(C)=CC=CC=C(C)C=O)[C@@](C)(O)C1 2356752836 VUTCKOBMFJDHLW-QAECIGQFSA-N 424.581 5.721 50 1 HKGF N#CC1=C(N)Oc2ccc(Sc3nc4ccccc4s3)cc2[C@@H]1c1ccccc1 64446598 MOXMWSCUZFGQBX-NRFANRHFSA-N 413.527 5.666 50 1 HKGF Cc1cc(F)c([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1F 587718793 JPRGRNPBKWFPQH-YPMLDQLKSA-N 418.684 5.191 50 1 HKGF C=C(C)[C@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2[C@@]34C=C[C@@]5(C[C@H](O)CC[C@@]5(C)C3=CC[C@@]12C)OO4 2356774292 UUHVMJGTJKDDFG-SNNLXVLRSA-N 424.625 6.314 50 1 HKGF CCCc1c(O)ccc2c1O[C@](c1ccc(C(C)(C)C)cc1)([C@H](C)Cl)CC2=O 587459773 PJVWUBMCBLSZMC-OWJWWREXSA-N 400.946 6.130 50 1 HKGF COc1ccc2[nH]c(C)c([C@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)c2c1 587500244 ZJOSZUGIYMIJFA-XMMPIXPASA-N 409.913 5.463 50 1 HKGF CCOc1ccc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587686630 WHMDLDMDSJKXPS-BLVKFPJESA-N 412.730 5.004 50 1 HKGF N#C/C(C(=O)c1c[nH]c2ccccc12)=C1/SC(c2ccccc2)=NN1c1ccccc1 40781733 UMBWRQBASZXUPX-QQTULTPQSA-N 420.497 5.701 50 1 HKGF Cc1ccc2c3c(cc(-c4cc(Cl)cc(CCl)c4O)nc13)-c1ccccc1C2=O 586994161 WWBHAGLRJVEXBC-UHFFFAOYSA-N 420.295 6.519 50 1 HKGF O=C1c2ccc(O)cc2O[C@@](CBr)(C2CCCC2)[C@H]1c1ccc(F)cc1 587324285 XMKPQNCRHSEOHE-FPOVZHCZSA-N 419.290 5.214 50 1 HKGF COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)n(-c4ccc(C)cc4)c1C)[C@@H](C2)C3=O 587418754 VEOJJYLNSPCMAG-OFVILXPXSA-N 421.924 5.293 50 1 HKGF COc1cccc2c3c(cnc12)CCN[C@@]3(CCCCCCCl)c1cccc(C)c1 963057176 MHVJVKJOMCYVRV-SANMLTNESA-N 423.000 6.130 50 1 HKGF CC=CCCCCCCCCCCCCC[C@@]1(OC)C=C[C@H](CC(=O)OC)OO1 2356806694 VWCFIIQGQOPFRB-VWNXMTODSA-N 410.595 6.426 50 1 HKGF CCCc1c(O)ccc2c1O[C@@](c1cccc(Cl)c1)([C@@H](C)Br)CC2=O 587457001 UIQMAUFWCLSMRK-MPBGBICISA-N 423.734 5.642 50 1 HKGF CCOc1ccc([C@]2([C@H](C)Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587541340 BDHYCQHKCLHOJN-HXKVFGNASA-N 424.880 5.275 50 1 HKGF COc1ccccc1[C@@]1(CBr)c2ccsc2CCN1Cc1ccco1 962714112 YNWVTIDFZFDSDP-FQEVSTJZSA-N 418.356 5.047 50 1 HKGF C#CCCCCCNC(=O)OCCCCCCCCCC[P@](=O)(F)OCC 98209397 JFCFPSBLBVUKMV-HHHXNRCGSA-N 405.491 6.226 50 1 HKGF in-vitro CC(C)[Si](OC1=C(C(=O)N(C)c2cccc(Cl)c2)CCCC1)(C(C)C)C(C)C 195502874 PKCIPHAOCONFDA-UHFFFAOYSA-N 422.085 7.323 50 1 HKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCCCl)(c2cccs2)N1 587844490 AUQMZKRYOZTZSQ-APPDUMDISA-N 402.760 5.447 50 1 HKGF Oc1cc2cc([C@@]3(CCl)c4c(F)cccc4C[C@@H]4CCCN43)c(Cl)cc2[nH]1 963117331 YWXJFMAOHPKAEZ-QKKBWIMNSA-N 405.300 5.169 50 1 HKGF C[C@@H](CCC[C@H](C)CCCCc1ccccc1)C[C@@]1(C)C[C@](C)(CC(=O)O)OO1 2356587821 YVFXEWAKTKCCQQ-QKYMMTCKSA-N 404.591 6.576 50 1 HKGF C[C@@H]1CC[C@H]2[C@@H](CCCc3cccc(Cl)c3)CO[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 38152981 VLOOLSRMTIFUIP-YEMUDNHFSA-N 406.950 5.525 50 1 HKGF C=C1CCCC(C)(C)[C@H]1CC[C@@H](C)CCC[C@@]1(C)CC[C@H]([C@H](C)C(=O)OC)OO1 44053506 QBFWTWXSXJFPRL-JVCKZIGESA-N 408.623 6.634 50 1 HKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc3c(c1)CCC3)CC2=O 587456542 QMYQWHLFHKIFKT-JOCHJYFZSA-N 415.327 5.089 50 1 HKGF CC(=O)Oc1ccc(-c2c(CCl)[nH]c3c2c(Br)cc2n[nH]cc23)cc1 587621458 VFPBVIXNMNOMQG-UHFFFAOYSA-N 418.678 5.138 50 1 HKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2cccc(Cl)c2)N1 587688638 MSDIUBRHBGWJNI-BTDLBPIBSA-N 403.122 5.258 50 1 HKGF C[C@@H](CCCCCCc1ccccc1)C[C@H](C)C[C@]1(C)C[C@]2(C)OC(=O)C[C@@H]2OO1 44386767 BFGVFWWNBPNNKE-BYTHGRBLSA-N 416.602 6.417 50 1 HKGF CCCc1c(O)ccc2c1O[C@@](CCl)(Cc1ccccc1Br)CC2=O 587457096 VRMCTACBWYIYBI-FQEVSTJZSA-N 423.734 5.293 50 1 HKGF CCOC(=O)[C@H](Cl)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(C)C 587625154 CZIABZVISOOBDG-CYBMUJFWSA-N 415.761 6.172 50 1 HKGF C=C(C)[C@@H](CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)OO 2356337367 UEYFSWJEKNBMRD-SJIUKTLUSA-N 416.646 6.777 50 1 HKGF COc1c2ccoc2c(OCC=C(C)CC=CC(C)(C)OO)c2oc(=O)ccc12 2356418808 XOQZMJZCEMCSME-UHFFFAOYSA-N 400.427 5.087 50 1 HKGF CC(C)=CCC/C(C=O)=C/CC/C(C)=C/CC[C@]1(C)C=Cc2cc(O)cc(C)c2O1 141293245 PFYWXIXLDAWXHZ-LYASOVEYSA-N 408.582 7.243 50 1 HKGF COC(C)(C)[C@@H](Br)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 586971131 MQFHFMNDCPKYLZ-JTQLQIEISA-N 409.218 6.081 50 1 HKGF O=C1c2ccc(O)cc2O[C@](CCCl)(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 587329022 BSRWQWSWXZXGHP-FYYLOGMGSA-N 414.835 5.554 50 1 HKGF N#C[C@@H](c1nc2ccccc2s1)[C@@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 587534875 FOJPMQCHPORTLI-SBUREZEXSA-N 422.937 5.425 50 1 HKGF Cc1cc(C)c([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C 587687750 HQLCBAYGCVFZPO-VLIAUNLRSA-N 410.758 5.530 50 1 HKGF C=C1C[C@H](OC(C)=O)[C@H](Br)C(C)(C)[C@@]12C=CC(=CBr)CC2 2356845254 OCXDCMCGDUTAKR-YQQAZPJKSA-N 418.169 5.283 50 1 HKGF Cc1ccc(/C=C(\C#N)c2nc3c(Br)ccc(Br)c3[nH]2)cc1 587187121 CNWDBAQRNNEKTH-XYOKQWHBSA-N 417.104 5.461 50 1 HKGF N#C/C(=C/c1ccccc1)c1nc2c(Br)ccc(Br)c2[nH]1 587189109 ZYGVJHXKYZIFEF-FLIBITNWSA-N 403.077 5.152 50 1 HKGF CCc1ccc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 587845282 DJUCGYSJTFKOGG-DYZYQPBXSA-N 402.760 5.229 50 1 HKGF CC(C)=CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@]34C=C[C@@]5(C[C@H](O)CC[C@]5(C)C3=CC[C@@]12C)OO4 2356791759 IYAUKUUYXVMEBP-MDKSVUAXSA-N 412.614 6.292 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cc(C)n(-c3ccccc3)c1C)([C@@H](C)Cl)O2 587371476 FUWTZIHXPVIYJU-OSPHWJPCSA-N 408.929 5.473 50 1 HKGF C[C@H](Br)[C@]1(c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587505765 PYMURIQAEOWUID-ZSEKCTLFSA-N 403.291 5.349 50 1 HKGF CCCc1ccc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587685235 OQMKNCKITAYNBW-RNODOKPDSA-N 410.758 5.557 50 1 HKGF CC1=C(CC[C@]2(C)O[C@@H]2CC[C@]2(C)CC[C@H]([C@H](C)C(=O)O)OO2)C(C)(C)CCC1 2356514911 QVVWUQNRKZFZHV-ZSNMEUPSSA-N 408.579 5.821 50 1 HKGF CCOC(=O)C1=C(c2ccc(Cl)cc2)NC(C)=C(C#N)[C@H]1c1ccccc1Cl 62224674 QIBPOJRXAVDMKA-LJQANCHMSA-N 413.304 5.452 50 1 HKGF C=CCN1C(=O)S[C@@H](Cc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)C1=O 587038493 JOOWDEKGNNXACX-NSHDSACASA-N 413.393 5.013 50 1 HKGF CCCc1c(O)ccc2c1O[C@@](c1ccccc1F)([C@@H](C)Br)CC2=O 587467058 PUIISOFRLIAQQS-MPBGBICISA-N 407.279 5.128 50 1 HKGF Cc1nc(C(C#N)=Cc2ccco2)sc1N=Nc1c(Cl)cc(Cl)cc1Cl 2356862349 UZKGINFZLNNJNZ-UHFFFAOYSA-N 423.712 7.484 50 1 HKGF O=C(N/N=C/c1ccc(C(F)(F)F)cc1)c1ccc(-c2nc3ccccc3[nH]2)cc1 58487666 OLBRDJJOGNIATI-LGJNPRDNSA-N 408.383 5.013 50 1 HKGF Cc1nn(-c2ccccc2)c2c1[C@H](c1cccc(Oc3ccccc3)c1)C(C#N)=C(N)O2 84653878 FKWZLLLVEOKDHW-XMMPIXPASA-N 420.472 5.191 50 1 HKGF CC(C)(C)[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587321725 KMVKRXPTLMHKEJ-XLIONFOSSA-N 407.279 5.070 50 1 HKGF O=C1C[C@](CCl)(c2cc3c4c(c2)cc(O)n4CCC3)Oc2c1ccc1c2CCCC1 587496776 FNLISAQRHCFIQX-VWLOTQADSA-N 421.924 5.271 50 1 HKGF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1ccsc1CC[C@@H]2Br 587536511 VSCDLAUDFYTOQT-AZUAARDMSA-N 403.341 5.197 50 1 HKGF Cc1c(N=C=S)ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1Cl 587896094 JXVKBOWDQSAHDM-UHFFFAOYSA-N 423.752 5.400 50 1 HKGF Fc1cc(S(F)(F)(F)(F)F)ccc1[C@H]1c2c(F)cccc2C[C@@H]2CCCN21 963106838 NYTLYZOQKZWVKZ-SGTLLEGYSA-N 411.386 6.732 50 1 HKGF COc1cc(C=C(C#N)c2nc3ccccc3[nH]2)ccc1OCc1ccc(Cl)cc1 1857619151 IPZPJCUZMDHJJE-UHFFFAOYSA-N 415.880 5.868 50 1 HKGF CC1=C(CCC(C=O)=CC[C@@H]2OC(=O)C=C2CO)[C@]2(C)CCCC(C)(C)[C@H]2CC1 2356505672 LJXILPIFWYMKCJ-FBLLAGFSSA-N 400.559 5.069 50 1 HKGF CC1=C[C@H]2C[C@@]3(C)O[C@@H]([C@]4(C)CC[C@H]([C@@H](C)C(=O)O)OO4)C[C@@H]3C(C)(C)[C@H]2CC1 73386380 HVANTBKYRQAYSD-NFGZEOMASA-N 406.563 5.143 50 1 HKGF Cl[C@H]1C[C@@H]2[C@@H]([C@@H]1Cl)[C@@]1(Cl)[C@@H](Cl)[C@@H](Cl)[C@@]2(Cl)C1(Cl)Cl 169365324 AHDSBZOIXGOWCI-NWLKJSLMSA-N 411.798 5.208 50 1 HKGF Cc1cc(C)c2c(c1)OC=C(C=O)[C@@]21c2ccccc2CCN1[C@H](C#N)c1ccccc1 963199775 DCZHVQRDFZGLJE-LEAFIULHSA-N 420.512 5.145 50 1 HKGF CC1(C)CCC[C@@]2(C)[C@]3(C)C[C@@H](O)[C@@]4(C)CC(C=O)=CC[C@@]4(C)[C@@]3(C)CC[C@]12C 2356332325 DXWFDFCYGZYCCS-KWLDEBNHSA-N 400.647 6.712 50 1 HKGF CC(C)=CCc1cc(/C=C(C#N)/C(C#N)=C/c2ccc(O)c(CC=C(C)C)c2)ccc1O 15200144 HLKVIBAPKJHKOQ-RYQLWAFASA-N 424.544 6.629 50 1 HKGF CCO/C(O)=C1\C(C[S@](=O)c2ccccc2)=NC(C)=C(C#N)[C@H]1C1CCCCC1 40685272 KOBLDOREUGIFTN-KQZLZWQFSA-N 412.555 5.049 50 1 HKGF COC(=O)[C@@H](C)[C@H]1CC[C@@](C)(CCC2=C(C)C[C@H]3C=C(C)CC[C@H]3C2(C)C)OO1 73317162 SXELECXXRAJAPF-ZFHKKGHBSA-N 404.591 6.164 50 1 HKGF CC1=C(CC/C(C=O)=C\C[C@H]2OC(=O)C=C2CO)[C@@]2(C)CCCC(C)(C)[C@H]2CC1 238744524 LJXILPIFWYMKCJ-AEGHUMACSA-N 400.559 5.069 50 1 HKGF CCCc1c(O)ccc2c1O[C@](c1ccc(F)cc1)([C@H](C)Br)CC2=O 587466451 LFLAPOHQAGZWEQ-YUNKPMOVSA-N 407.279 5.128 50 1 HKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(CBr)cc2)N1 587673893 RGAGKSCJYMSKSR-BMLIUANNSA-N 413.128 5.107 50 1 HKGF Cc1cc([C@@]2(CCCCl)c3cccc(F)c3CCN2[C@@H]2CCSC2)ccc1F 962693786 DGGQKHZBMBUAJO-JPYJTQIMSA-N 421.984 5.899 50 1 HKGF C[C@H](CCCCCCC=CC=Cc1ccccc1)C[C@]1(C)C[C@](C)(CC(=O)O)OO1 2356503367 GBVSDTSXHOBZRG-RCXJIHSJSA-N 414.586 6.967 50 1 HKGF CC1=C(CCC(C=O)=CC[C@@H]2OC(=O)C=C2CO)[C@]2(C)CCCC(C)(C)[C@@H]2CC1 2356505673 LJXILPIFWYMKCJ-HWBMXIPRSA-N 400.559 5.069 50 1 HKGF C=C1C=C[C@]2(Br)O[C@@H]3C[C@](C)(Cl)[C@@H](Br)C[C@@]13C2(C)C 195474725 SCVKJKKRVLDQHS-RDCQKDKRSA-N 410.577 5.170 50 1 HKGF O=C1C[C@@](c2ccccc2)([C@@H](Cl)c2ccccc2)Oc2c1ccc1c2CCCC1 587500236 ZICWHHFSGBJNPI-IZZNHLLZSA-N 402.921 6.406 50 1 HKGF C[C@H](Cl)[C@]1(c2ccc(F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587733227 QAOMDHQVTRKLIU-LIBAHTEVSA-N 400.694 5.132 50 1 HKGF Cc1ccc(-c2[nH]c3ccccc3c2[C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1 103205723 XPDCDIYQWUPWPO-QFIPXVFZSA-N 423.516 5.594 50 1 HKGF CCCCC[C@H](Cl)[C@@H](Cl)C[C@@H](Cl)[C@@H](Cl)CCCCCCCC(=O)O 231930265 FRSRMUYUIAXUAX-LUKYLMHMSA-N 422.264 7.202 50 1 HKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c(C)c1C 587543892 MIWNJEIUNBFGOV-RDGATRHJSA-N 422.908 5.722 50 1 HKGF CSc1ccc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587846288 QAJQQGDGOWKFQU-ADLMAVQZSA-N 414.771 5.327 50 1 HKGF CCCCCC=C[C@@H](CCCCCCCC=CC=CC(=O)N1CCCCC1)OO 2356611650 DXHRROZVQMDXOO-DEOSSOPVSA-N 405.623 6.837 50 1 HKGF CCCCCCCCCCCCCC=C(C=O)CCCCCCCCCCCCC 2356650757 QJYTWABGECOJNS-UHFFFAOYSA-N 420.766 10.514 50 1 HKGF C[C@@H](c1ccc(CBr)cc1)c1nc2ccc(Br)c(O)c2[nH]1 586973312 HFLDKQMMEQTSDO-VIFPVBQESA-N 410.109 5.078 50 1 HKGF C=C1C[C@@H](O)[C@@H](Br)C(C)(C)[C@@]12CC[C@@](C)(Br)[C@H](Cl)C2 137267084 JPQFUHCOKXIWBB-URFZWBKFSA-N 414.609 5.028 50 1 HKGF CCCc1c(O)ccc2c1O[C@@](c1ccc(Br)cc1)([C@H](C)Cl)CC2=O 587458051 PIFAYYWIDPNLEM-FKIZINRSSA-N 423.734 5.595 50 1 HKGF CC(C)CC=C[C@H](C)[C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]23C=C[C@@]2(C[C@@H](O)CC[C@]12C)OO3 2356421027 WISOACODKWCRQK-ANASRUAZSA-N 414.630 6.228 50 1 HKGF C=C1C=C[C@@]2(Br)O[C@@H]3C[C@@](C)(Cl)[C@@H](Br)C[C@@]13C2(C)C 256600451 SCVKJKKRVLDQHS-PWRGDLIESA-N 410.577 5.170 50 1 HKGF C[C@H](Cl)[C@]1(c2ccc3c(c2)CCC3)N[C@H](C)Cc2ccc(F)c(Br)c21 587689571 UQZAVSCBRFPYTN-RRMDADRESA-N 422.769 5.482 50 1 HKGF CCc1ccc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)s1 587845283 DJUCGYSJTFKOGG-QGHHPUGFSA-N 402.760 5.229 50 1 HKGF N=C(CCl)NCCCc1nn(CC2CCCC2)c2cc(Cl)cc(Cl)c12 1857649962 UINGFYBLDLRRIN-UHFFFAOYSA-N 401.769 5.272 50 1 HKGF CC[C@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]23C=C[C@@]2(C[C@@H](O)CC[C@]12C)OO3 2356684465 RMCNEIUNJZPGIG-XZZGUTCWSA-N 414.630 6.228 50 1 HKGF COC(=O)[C@@H](C)[C@H]1CC[C@](C)([C@@H]2C[C@@]3(C)[C@H](C)C[C@H]4C=C(C)CC[C@H]4[C@@]3(C)O2)OO1 238780253 ZUKFYDKHJLXOAT-XZDVAOLESA-N 420.590 5.231 50 1 HKGF Cc1ccc2c3c(cc(-c4ccccc4NC(=O)CCl)nc13)-c1ccccc1C2=O 586994315 YDNOXMQUCMTWFN-UHFFFAOYSA-N 412.876 5.599 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)n(-c3ccccc3C)c1C)O2 587373458 QUEZBVYPSYVBLK-DEOSSOPVSA-N 408.929 5.393 50 1 HKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1c[nH]c2cc(F)ccc12 587572733 WHPLBSBLWRRNRS-OFNKIYASSA-N 423.827 5.109 50 1 HKGF Cl[C@H]1[C@@H]2[C@@H](C[C@H]1Cl)[C@]1(Cl)[C@@H](Cl)[C@@H](Cl)[C@]2(Cl)C1(Cl)Cl 100066732 AHDSBZOIXGOWCI-CXAGASRZSA-N 411.798 5.208 50 1 HKGF in-vitro C[C@@]1(c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)C=C(c2ccccc2F)NO1 587154691 GEXHFFDVISYPEA-KRWDZBQOSA-N 421.366 6.151 50 1 HKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCCCCl)cc2)N1 587682959 FEKHDTWGTRWIDK-HXPMCKFVSA-N 412.730 5.220 50 1 HKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(C(Cl)Cl)N1 587688353 LSJWNEMNQWHYQZ-QGHHPUGFSA-N 403.122 5.170 50 1 HKGF CC=C(C)[C@@H]1[C@H](C=CC=C(C)C(=O)CC)[C@@H]2C[C@H](Cl)[C@](C)(O)C[C@@H]2[C@@H]2O[C@@]21C 2356546653 PHSSIDQQMMOHAI-YKRKNXEMSA-N 406.994 5.222 50 1 HKGF CC(C=CC=O)=CC=CC=C(C)C=CC=C(C)C=C[C@]12O[C@]1(C)C[C@H](O)CC2(C)C 2356554204 QZOYIQGWDBXSHB-ZRJLEYOISA-N 408.582 5.958 50 1 HKGF N/C(=N\c1ccc(NC(=O)CCCC[C@@H]2CCSS2)cc1)c1cccs1 1549459 IUYKAULZHGYWQM-MRXNPFEDSA-N 405.614 5.438 50 1 HKGF C[C@H]1CC/C(=C\c2ccc(Cl)cc2)[C@H]2OC(N)=C(C#N)C(c3ccc(Cl)cc3)=C12 1652453 FHIISUZUVFBAAZ-DYLPKHOGSA-N 423.343 6.353 50 1 HKGF CC1(C)C(Br)=C[C@H]2O[C@@]2(C)[C@@]12CC[C@](C)(Cl)[C@@H](Br)C2 5761991 LCVJEYNJCXTRIQ-WPTOEGHWSA-N 412.593 5.394 50 1 HKGF N#C/C(=C\c1ccccc1)C(=O)N1CCC(C(c2ccccc2)c2ccccc2)CC1 103265845 UVVHHYFEEZGCHP-LHLOQNFPSA-N 406.529 5.664 50 1 HKGF C/C1=C/[C@H](OC(=O)NCCCl)C[C@](C)(O)/C=C\[C@H](C(C)C)CC/C(C)=C\CC1 169363995 ASERFLMHCJBCPH-CBGSEKBUSA-N 412.014 5.756 50 1 HKGF COc1ccc(/C=C/C(=N\NC(=O)c2ccc(OC)cc2)c2ccc(Cl)cc2)cc1 299840052 VFIBQMOYIBLGBS-QGSVLCHKSA-N 420.896 5.205 50 1 HKGF CC(C)(C)[C@H](N)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587257944 ROBLYCGANLWDOO-SNVBAGLBSA-N 408.234 6.029 50 1 HKGF Cc1cc(C)c([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C 587688579 MINNDERUTUHZMO-XOBRGWDASA-N 410.758 5.530 50 1 HKGF C[C@H](Cl)[C@@]1(c2ccc(Cl)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587689026 OTAVNKBUQKXRGY-DDBGAENHSA-N 417.149 5.647 50 1 HKGF CCN(CC)c1ccc2c(c1)OC(/N=C/N(C)C)=C(C#N)[C@@H]2c1ccc(Cl)cc1 66074604 TXRZNLGURJQSPC-QVGKIPNLSA-N 408.933 5.036 50 1 HKGF O=C1CSc2ccc(-c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)cc2N1 587042288 CQDCDZHVDRQLIS-UHFFFAOYSA-N 407.389 5.932 50 1 HKGF N#C/C(=C/c1ccccc1)c1nc2cc(Br)c(Br)cc2[nH]1 587188669 VFVQTPGAVWRHNG-WDZFZDKYSA-N 403.077 5.152 50 1 HKGF Cc1ccc(/C=C(/C#N)c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc1 587189027 ZJZQCKYWZSOSAM-SDQBBNPISA-N 406.205 5.717 50 1 HKGF O=C1c2ccc(O)cc2O[C@](CCl)(C2CCC(F)(F)CC2)[C@H]1c1ccc(F)cc1 587330406 HHCZFWPSWWTVTA-SIKLNZKXSA-N 424.846 5.693 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(CC(C)C)cc1)O2 587373098 LCVZAFXFXZBDKZ-OAQYLSRUSA-N 402.332 5.031 50 1 HKGF CCCc1c(O)ccc2c1O[C@@](c1ccc(Br)cc1)([C@@H](C)Cl)CC2=O 587458052 PIFAYYWIDPNLEM-MPBGBICISA-N 423.734 5.595 50 1 HKGF BrCCCOCc1c(-c2ccccc2)nc2sc3ccccc3n12 1857637884 IQFWINWIWKEQME-UHFFFAOYSA-N 401.329 5.518 50 1 HKGF CC(C)C1=CC[C@@H]2C(=C1)CC[C@H]1[C@@]2(C)CCC[C@@]1(C)C(=O)Oc1ccc([N+](=O)[O-])cc1 2356874017 XBFYDNRVELQHGC-MFYWSIJSSA-N 423.553 6.635 50 1 HKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)([C@@H](C)Cl)N1 587689029 OTAVNKBUQKXRGY-PJYBLOJUSA-N 417.149 5.647 50 1 HKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCCl)(c2ccc(F)cc2)N1 587730755 KFCYXFMOZSHSLQ-ZMZPIMSZSA-N 400.694 5.134 50 1 HKGF CCCCCC=C[C@H](CCCCCCCC=CC=CC(=O)N1CCCCC1)OO 2356611651 DXHRROZVQMDXOO-XMMPIXPASA-N 405.623 6.837 50 1 HKGF COC(=O)[C@H](C)[C@@H]1CC[C@](C)(CC[C@]2(C)[C@H](C)CC[C@@]3(C)C(C)=CCC[C@@H]32)OO1 2356619650 ODANAQMVYMSWBA-GQNHKQCPSA-N 406.607 6.244 50 1 HKGF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccc(CCl)cc1)CC2=O 587459941 JDANSHHBIBCSKU-VWLOTQADSA-N 406.909 5.993 50 1 HKGF N#CSC[C@]1(c2cccc(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587606909 JLIYYSDBZLHECV-SIKLNZKXSA-N 423.877 5.117 50 1 HKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2cccc(Cl)c2)N1 587688640 MSDIUBRHBGWJNI-QGHHPUGFSA-N 403.122 5.258 50 1 HKGF CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]13C(=O)[C@H]4[C@@H](C[C@H]21)[C@@]4(C)[C@H]3I 1772648259 CCHKZAQBAZDQQK-QFIHHOAPSA-N 412.355 5.258 50 1 HKGF COC(=O)[C@H](C)[C@@H]1CC[C@](C)(CCC2=C(C)C[C@@H]3C=C(C)CC[C@H]3C2(C)C)OO1 2356597064 SXELECXXRAJAPF-HKHHCORWSA-N 404.591 6.164 50 1 HKGF C=C1CCCC(C)(C)[C@@H]1CC[C@@H](C)CCC[C@@]1(C)CC[C@H]([C@H](C)C(=O)OC)OO1 44053500 QBFWTWXSXJFPRL-YJJICLFVSA-N 408.623 6.634 50 1 HKGF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@H](Br)CC)CC2=O 587454549 YNNWPUSFNFBPOP-CTNGQTDRSA-N 403.316 5.379 50 1 HKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(C2CCC(F)(F)CC2)N1 587722921 UMIVHSHIGBUAFA-BTDLBPIBSA-N 410.705 5.382 50 1 HKGF C=C(CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3C(C=O)=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C 2356572368 ZGCGMYXRXTYHNJ-PPUMIUODSA-N 412.658 6.734 50 1 HKGF CSc1nc(Nc2cccc(F)c2)c2cnn(C[C@H](Cl)c3ccccc3)c2n1 28862111 BEMGXQUJMOKYHT-KRWDZBQOSA-N 413.909 5.411 50 1 HKGF C[C@@H]1CC[C@H]2[C@@H](CCCc3ccc(Cl)cc3)C(=O)O[C@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 101270014 PVKNOCBVDQYQDN-LWXYJAQLSA-N 420.933 5.051 50 1 HKGF CCCCC[C@@H](/C=C/C=C\C/C=C\C/C=C\CCCC(=O)N[C@@H](C)C(=O)O)OO 535385386 PYTWJSOUEZSBDS-KWECEVBASA-N 407.551 5.190 50 1 HKGF in-vitro Fc1cc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc(N2CCCC2)n1 587177775 ZDZGLAHHSQEVLG-UHFFFAOYSA-N 408.371 6.022 50 1 HKGF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@@H](Br)[C@H]2CC[C@@]1(C)C2(C)C 587461513 XNQBKRMAYCEKDP-SFJXLCSZSA-N 407.348 5.268 50 1 HKGF CCCN1[C@H](C)Cc2ccccc2[C@@]1(CBr)c1cccc(F)c1[N+](=O)[O-] 963244954 YMIHOZIUHWFOJU-VLIAUNLRSA-N 421.310 5.029 50 1 HKGF C=C1CC[C@H](OO)CC1=CC=C1CCC[C@]2(C)[C@@H]1CC[C@@H]2[C@@H](C)C=C[C@@H](C)C(C)C 2356746112 UZDFTFHQIQFFDP-VURXPSMLSA-N 412.658 8.138 50 1 HKGF O=C(O)C[C@@H]1CC[C@@H]([C@@H]2CC[C@@H](CCCCCC[C@@H]3/C=C/C=C/C=CC3)O2)OO1 169328005 DIHXQPVNIPQBLK-CWJUZYKVSA-N 404.547 5.517 50 1 HKGF CCOc1ccccc1[C@@]1(CBr)CC(=O)c2ccc3c(c2O1)CCCC3 587497490 CLLSFXPVHFWBCV-QFIPXVFZSA-N 415.327 5.220 50 1 HKGF FC(F)(F)c1ccc([C@@]2(CCl)NCCc3cccc(-c4ccccc4)c32)cc1 962664156 FWYXEZGNURWHKG-JOCHJYFZSA-N 401.859 6.001 50 1 HKGF Cc1ccc(-c2[nH]c3ccccc3c2[C@]2(CCl)NCCc3ccc(O)cc32)cc1C 963341624 NSMQFTPQYJRZJG-AREMUKBSSA-N 416.952 5.785 50 1 HKGF C[C@]1(c2cccc(Cl)c2)CC(c2cccc(Cl)c2)=C(C#N)C(=C(C#N)C#N)N1 73242819 XMBSJVOSFHLREE-JOCHJYFZSA-N 405.288 5.481 50 1 HKGF COc1ccc(OC)c([C@H]2C(C#N)=C(C)N=C3C[C@@H](c4ccccc4)CC(O)=C32)c1 103866566 IXIKBHSIWXLTOA-OSPHWJPCSA-N 400.478 5.429 50 1 HKGF C=C1CCC[C@@H]2[C@@](C)(CC[C@@]3(C)CC[C@@H]([C@@H](C)C(=O)OC)OO3)[C@H](C)CC[C@@]12C 238747908 XZMSFDWECPXXRJ-LYMIXHCVSA-N 406.607 6.244 50 1 HKGF C[C@H](Cl)[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587544280 NLIAHMQGEIQYKX-NCNFXNTHSA-N 415.272 5.530 50 1 HKGF CCCCCCc1ccc([C@]2([C@H](C)Cl)c3c(F)cccc3C[C@H]3CCCN32)cc1 963102417 MMVRRUFXXYDMOR-RQADYFSKSA-N 414.008 6.840 50 1 HKGF C=C(C)[C@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2[C@@]34C=C[C@@]5(C[C@H](O)CC[C@@]5(C)C3=CC[C@]12C)OO4 2356774293 UUHVMJGTJKDDFG-VGHWDXMLSA-N 424.625 6.314 50 1 HKGF CC1=C(CC[C@]2(C)O[C@H]2CC[C@]2(C)CC[C@@H]([C@@H](C)C(=O)O)OO2)C(C)(C)CCC1 96911633 QVVWUQNRKZFZHV-XMPUZHHRSA-N 408.579 5.821 50 1 HKGF CCOc1ccccc1[C@]1(CBr)CC(=O)c2ccc3c(c2O1)CCCC3 587497489 CLLSFXPVHFWBCV-JOCHJYFZSA-N 415.327 5.220 50 1 HKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)s1 587613190 MQCKXRNMDKFPLV-RXVVDRJESA-N 400.883 5.166 50 1 HKGF CC(C)(C)c1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2CCl)cc1 587622036 VAMLSKSVSDTPAP-UHFFFAOYSA-N 416.750 6.510 50 1 HKGF CCCCCCCC[C@H](Cl)CCCC/C=C/CCC(=O)N(C)[C@H](CO)COC 1911574574 FTZLVCBIANZKJT-RQIGGHQESA-N 418.062 5.707 50 1 HKGF COCCN(C(=O)CCl)C(=C(C)C)c1cccc(Oc2ccc(Cl)cc2)c1 103191754 NGIZGSWZLMHMOV-UHFFFAOYSA-N 408.325 5.597 50 1 HKGF CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](OO)CC[C@]4(C)C3=CC[C@@]21C 255209305 FJKLGGRFXVSQLY-CMNOFMQQSA-N 410.642 7.748 50 1 HKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCCC[C@H]2Br)N1 587680764 IXXZTIPPSKYOMG-CKUKBARFSA-N 405.149 5.045 50 1 HKGF CCCCCCCCCCC[C@@H](O)OO[C@@H](O)CCCCCCCCCCC 85852880 RYCPZVNAAFWRCP-PSWAGMNNSA-N 402.660 7.413 50 1 HKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(CCOCC3CC3)nc2c1 587783214 IIZMSORVQUEMAB-UHFFFAOYSA-N 421.229 5.952 50 1 HKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(CCl)cc1Cl 587878606 MGDFQPNWCOROMV-UHFFFAOYSA-N 401.120 5.096 50 1 HKGF CCOC(=O)[C@H](Cl)c1nc2c(C)ccc3c2c(c1C(C)C)-c1ccccc1C3=O 586994341 YHYXBAPSJYUOAM-HXUWFJFHSA-N 407.897 5.721 50 1 HKGF Cc1ccc([C@H](Cl)[C@@]2(c3ccc(C)cc3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587371551 GTJQSRXNGBDIGP-DQEYMECFSA-N 405.925 6.035 50 1 HKGF CCCCCc1ccc([C@@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)cc1 587373561 MBKGXWQCRVXODR-QFIPXVFZSA-N 416.359 5.566 50 1 HKGF O=C1C[C@](CBr)(C2CCC(F)(F)CC2)Oc2c1ccc1c2CCCC1 587506179 MXHFWBPGAIEIBP-IBGZPJMESA-N 413.302 5.490 50 1 HKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)C1CCCCC1 587539223 UWYJXPSMHMIQMY-GHTZIAJQSA-N 417.299 5.068 50 1 HKGF COc1ccc(OC)c([C@@H]2C(C#N)=C(C)N=C3C[C@H](c4ccccc4)CC(O)=C32)c1 103866580 IXIKBHSIWXLTOA-BXKMTCNYSA-N 400.478 5.429 50 1 HKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCCCl)(c2ccc(O)cc2)N1 587686385 USBPJCOJJFBZNW-HXPMCKFVSA-N 412.730 5.091 50 1 HKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)s1 587846609 VAHVHVUDZRNGFF-VVVCHXIZSA-N 402.760 5.283 50 1 HKGF COc1ccc(Cl)cc1C#Cc1ccc2[nH]cc(CCCBr)c2c1 587899134 ZVHDEEBLKBHYMY-UHFFFAOYSA-N 402.719 5.557 50 1 HKGF COC(=O)[C@@H](C)[C@H]1CC[C@](C)(CC/C=C(\C)CC[C@]2(C)[C@@H](C)CCC[C@@]2(C)O)OO1 653730251 PYRDXCUKHATXIK-QZVWNKASSA-N 424.622 5.749 50 1 HKGF C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](OCCCBr)CC[C@@]43C)[C@@H]1CCC2=O 13671474 LQWNKPUSWLHJNE-VQZJJIPLSA-N 411.424 5.768 50 1 HKGF [C-]#[N+][C@@H]1[C@@H]2c3c(C(C)(C)C=C)[nH]c4cccc(c34)C(C)(C)[C@H]2C[C@@H](Cl)[C@]1(C)C=C 85598685 GHYIJWADNLIVDB-UMIISBCRSA-N 407.001 7.114 50 1 HKGF CCOC(=O)C1=C(C)NC(C)=C(C#N)[C@@H]1c1cnccc1-c1ccc2ccccc2c1 136935801 DRAFQLUUZHHPFJ-RUZDIDTESA-N 409.489 5.223 50 1 HKGF C[C@@H](c1ccc(CBr)cc1)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 586973599 MBSXHHLQQDEGNI-VIFPVBQESA-N 417.656 6.282 50 1 HKGF CSc1ccc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587530819 FCQUZNQIQLNTRM-NRFANRHFSA-N 417.368 5.543 50 1 HKGF COc1c(CC=C(C)C)c(O)c(C(C)=O)c2c1C[C@H](OO)[C@@](C)(CCC=C(C)C)O2 2356430461 VINMEZFCMWVMAA-YADARESESA-N 418.530 5.410 50 1 HKGF O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 587327006 NYFZWRWSEWANHJ-IFMALSPDSA-N 417.263 5.678 50 1 HKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCCC[C@@H]2Br)N1 587684415 QOLAWBISWFOZMK-HPEXNQPKSA-N 405.149 5.045 50 1 HKGF CC(=CCCC(C=O)=CC[C@H](O)C1=CC(=O)OC1)CCC1=C(C)CCCC1(C)C 2356379647 CVXAFDSSBXFDSR-QHCPKHFHSA-N 400.559 5.379 50 1 HKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3CC[C@]2(CCl)C3(C)C)N1 587686226 SXGWLTBIGWRWIG-LDWAOTCXSA-N 400.763 5.383 50 1 HKGF Oc1cc2cc([C@]3(CCl)c4c(F)cccc4C[C@H]4CCCN43)c(Cl)cc2[nH]1 963117334 YWXJFMAOHPKAEZ-SPLOXXLWSA-N 405.300 5.169 50 1 HKGF CCCCCCCC/C=C(\Br)[C@@H](O)C(Br)Br 1655030 OXAKHAUHUJIBEU-DWOQACPDSA-N 421.011 5.493 50 1 HKGF CCOc1ccc(CN(C(=O)C(C)(C)CCl)[C@H](C)CCCN(CC)CC)cc1 45315425 RAPOTWGBNMNRDS-LJQANCHMSA-N 411.030 5.189 50 1 HKGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)s1 587613191 MQCKXRNMDKFPLV-WIYYLYMNSA-N 400.883 5.166 50 1 HKGF CCn1c(C)cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587690158 ZRGQTXUZVDZTIG-JEOXALJRSA-N 413.762 5.043 50 1 HKGF CC(C)C1=CC2=C(CC1)[C@@]1(C)CCC[C@@](C)(C(=O)Oc3ccc([N+](=O)[O-])cc3)[C@@H]1CC2 137196114 WPVWDFXFXSUCSJ-LGPLSSKUSA-N 423.553 6.780 50 1 HKGF N#CSC[C@@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587340276 XOOIXVBJJZUUTA-GMAHTHKFSA-N 423.440 5.139 50 1 HKGF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](Br)CCC3)c1 587357996 NTFAKVQTZFNCJZ-KRWDZBQOSA-N 408.295 6.429 50 1 HKGF N#CC1=COc2c(Cl)cc(Cl)cc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587503778 ZBMGHWMKBDOBAR-QFIPXVFZSA-N 412.272 5.533 50 1 HKGF CCc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587614812 UWSJBQNIAAOSDI-RXVVDRJESA-N 400.883 5.112 50 1 HKGF C=C1CC[C@H](Br)C(C)(C)[C@H]1CC=C(C)[C@@H](CBr)OC(C)=O 2356422017 CAABAOKUTIAZRL-XHSDSOJGSA-N 422.201 5.405 50 1 HKGF N#C/C(=C\c1cccc(OCC(=O)O)c1)c1nc(-c2ccccc2)c(-c2ccccc2)o1 3923161 RQIMLWGZKJQNEU-KGENOOAVSA-N 422.440 5.536 50 1 HKGF C[C@H](CCCCCCCCc1ccccc1)C[C@@]1(C)C[C@@H](C)[C@](O)(CC(=O)O)OO1 147247560 GUSPWEANGOMOST-ZLSIYFNSSA-N 420.590 5.896 50 1 HKGF O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc(F)c(F)c2)[C@@H]1c1ccc(F)cc1 587331304 JCAQUDACIIYXDW-IFMALSPDSA-N 418.798 5.303 50 1 HKGF COc1cccc(-c2cc([C@H](NC(=O)CCl)C(C)C)nc3c2oc2ccccc23)c1 587358050 NZZHTKKAZIQZRG-JOCHJYFZSA-N 422.912 5.709 50 1 HKGF COc1ccc2c(c1)[C@]1(CCCC[C@H]1O[Si](C)(C)C(C)(C)C)N(C(C)C)CC2 962086626 CKILAXAYECGLCX-VWNXMTODSA-N 403.683 6.121 50 1 HKGF Cc1cc([C@@]2(CCCCl)N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)ccc1F 962731945 VBJCULKGZFVRMX-AZUAARDMSA-N 413.842 5.042 50 1 HKGF COC(=O)N(/N=N/c1ccc([N+](=O)[O-])cc1Cl)c1ccc([N+](=O)[O-])cc1Cl 72178657 LCKIJPICCFTNGP-ISLYRVAYSA-N 414.161 5.082 50 1 HKGF COc1ccc([C@]2(CCCCCCCl)c3c(F)cccc3C[C@H]3CCCN32)cc1 963116437 WZNXKISGCCAVHS-PXDATVDWSA-N 415.980 6.288 50 1 HKGF COC(=O)[C@H](C)[C@@H]1CC[C@](C)(CC[C@@H]2C(C)=CC[C@@H]3C(C)(C)CCC[C@]23C)OO1 2356406523 YPMAJMYXHUTKSJ-BZYNTIHNSA-N 406.607 6.244 50 1 HKGF C=C1CCC=C(C)C[C@@H](OC(=O)C=Cc2ccc(O)cc2)CC(C)(C)C[C@@H]1OO 2356521468 ZDRHNSQPEYXBDI-YADHBBJMSA-N 400.515 5.668 50 1 HKGF S=C(SSC(=S)N1CCCc2ccccc21)N1CCCc2ccccc21 45254559 JWLSRLDWCJQHAW-UHFFFAOYSA-N 416.662 5.843 50 1 HKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1F 587338567 XNMJMXXOLVEAJR-GMAHTHKFSA-N 414.835 5.472 50 1 HKGF COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)n(Cc4ccccc4)c1C)[C@@H](C2)C3=O 587418056 RJHPDCGGCXQMMD-SQJMNOBHSA-N 421.924 5.044 50 1 HKGF CCOc1ccc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587500176 RMASBQXWFKYQNZ-JOCHJYFZSA-N 415.327 5.220 50 1 HKGF Cc1cc(C)c([C@]2([C@@H](C)Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C 587541276 ALPIFMSFPGCQES-MCCOCYNGSA-N 422.908 5.802 50 1 HKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc3c(c2)CCC3)([C@@H](C)Cl)N1 587689573 UQZAVSCBRFPYTN-ZNLKAECVSA-N 422.769 5.482 50 1 HKGF COC(=O)[C@H](C)[C@@H]1CC[C@](C)(CCCC(C)=CC[C@@H]2C(C)=CCCC2(C)C)OO1 2356439170 GTRMWSMRZUVWBH-APDHKMKFSA-N 406.607 6.554 50 1 HKGF COC(=O)[C@@H](C)[C@@H]1CC[C@@](C)(CCC2=C(C)C(=O)C[C@H]3C(C)(C)CCC[C@]23C)OO1 59306805 PDWDODCLXVJGRQ-BFSQPMCKSA-N 420.590 5.567 50 1 HKGF C[N+](C)(C)CCCCCCCCCCCCCCCCCCSS(C)(=O)=O 84651912 YDOZQGXIFRJMGX-UHFFFAOYSA-N 422.765 6.627 50 1 HKGF O=C1c2ccc(O)cc2OC(CCCCl)(CCCCl)[C@@H]1c1ccc(F)cc1 587326068 JLARJPWGODVFSY-LJQANCHMSA-N 411.300 5.667 50 1 HKGF CC1(C)[C@H]2CC[C@@]1(C)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)[C@H]2Br 587494937 AOABHWMJRNVGPB-NTSGDEEZSA-N 403.360 5.489 50 1 HKGF CCn1c(C)cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587686658 DEVXOKLZDWYZLO-WYRIXSBYSA-N 413.762 5.043 50 1 HKGF C=C(C)[C@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2[C@@]34C=C[C@@]5(C[C@H](O)CC[C@]5(C)C3=CC[C@]12C)OO4 2356774290 UUHVMJGTJKDDFG-FRNLCTNWSA-N 424.625 6.314 50 1 HKGF COc1cc2c3c(c1)O[C@](CCl)(c1c(Cl)ccc(F)c1Cl)[C@@H](C2)C3=O 587424992 ZQMSUWSVBVXNRU-YPMLDQLKSA-N 401.648 5.023 50 1 HKGF COc1ccc2c(c1)C[C@@H](c1nc3ccc(S(F)(F)(F)(F)F)cc3[nH]1)CC2 587945004 DDCWVCVRMCKCPZ-LBPRGKRZSA-N 404.404 6.501 50 1 HKGF O=C(NN=C(c1ccccc1)c1ccccc1)Nc1nc2ccc(Cl)cc2s1 28823188 JUMVDWUGTZHALM-UHFFFAOYSA-N 406.898 5.524 50 1 HKGF C[C@H](CCCC/C=C/CC/C=C/c1ccccc1)C[C@]1(C)C[C@@](C)(CC(=O)O)OO1 85775594 CRORVGKIBBBYNQ-RDWPWHPWSA-N 414.586 6.967 50 1 HKGF C[C@@H](Cl)[Si](C)(C)C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C 195470505 KSQKUUKJBNCNPG-UONCKOPHSA-N 417.065 5.397 50 1 HKGF COC(=O)[C@H](C)[C@@H]1CC[C@](C)(CCC=C(C)CC[C@]2(O)[C@H](C)CCCC2(C)C)OO1 2356794582 LGYQILBHOGDNJU-KVVYYFANSA-N 424.622 5.749 50 1 HKGF COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)n(-c4ccccc4C)c1C)[C@@H](C2)C3=O 587416530 AVTOCDLEPGSKTK-CPJSRVTESA-N 421.924 5.293 50 1 HKGF CC(C)[C@@H](C)C=C[C@@H](C)[C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]23C=C[C@@]2(CCCC[C@]12C)OO3 2356337357 UCQJLPOKKJIZQU-BCWNFLQTSA-N 412.658 7.503 50 1 HKGF COc1cc2ccnc(-c3ccc(N(CCCl)CCCl)cc3)c2cc1OC 29480765 WLLXELUYSQYMTF-UHFFFAOYSA-N 405.325 5.203 50 1 HKGF C[C@]1(CC(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)CC2(CCCCC2)OO1 49678939 ULZNMAHBKCSSOV-QHCPKHFHSA-N 413.489 5.438 50 1 HKGF O=S(=O)(/C=C/c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)c1ccccc1 586925404 YZTBQZRZLWDAFU-CMDGGOBGSA-N 410.389 5.665 50 1 HKGF CCCc1c(O)ccc2c1O[C@@](CSC#N)(c1cccc3ccccc13)CC2=O 587491079 ICZLDSCLNPZQTL-DEOSSOPVSA-N 403.503 5.573 50 1 HKGF CC(C)=CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@]34C=C[C@@]5(C[C@H](O)CC[C@]5(C)C3=CC[C@]12C)OO4 2356791757 IYAUKUUYXVMEBP-DXROSKDGSA-N 412.614 6.292 50 1 HKGF O=C1c2ccccc2-c2cc([C@@H](Br)c3ccccc3)nc3cccc1c23 587100933 BOWJUDRHJDIEAF-QFIPXVFZSA-N 400.275 5.931 50 1 HKGF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@@H](CBr)C3)c1 587359886 JKIJUUREMSVSBS-CQSZACIVSA-N 422.322 6.156 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(Cl)cc1Cl)O2 587375243 RWMHETFDXAFCQF-KRWDZBQOSA-N 415.114 5.140 50 1 HKGF O=C1C[C@](CCBr)(c2ccc(F)cc2)Oc2c1ccc1c2CCCC1 587502949 JDBSRDOSAJUZHR-OAQYLSRUSA-N 403.291 5.350 50 1 HKGF Cc1cc2c(cc1F)[C@](CCCCCCl)(c1ccccc1Br)NCC2 962148740 UPUGUFGYJJELRT-NRFANRHFSA-N 424.785 6.085 50 1 HKGF CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1c(-c2ccccc2)[nH]c2ccccc12 103205731 YNNWBYLUBUWJJM-OAQYLSRUSA-N 409.489 5.286 50 1 HKGF FS(F)(F)(F)(F)c1ccc2nc(Cc3csc(-c4ccco4)n3)[nH]c2c1 587017111 ICBTZNVHFGTNME-UHFFFAOYSA-N 407.389 6.528 50 1 HKGF Fc1cc(Br)cc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1 587161306 PCLJEPHVAPLDAX-UHFFFAOYSA-N 417.172 6.789 50 1 HKGF CCCc1c(O)ccc2c1O[C@@](c1ccc(F)cc1)([C@@H](C)Br)CC2=O 587466447 LFLAPOHQAGZWEQ-MPBGBICISA-N 407.279 5.128 50 1 HKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(C(Cl)Cl)N1 587690178 ZWMUGSMLPBFSLP-BMLIUANNSA-N 403.122 5.170 50 1 HKGF COc1ccc([C@]2([C@@H](C)Cl)c3cccc(F)c3CCN2[C@H]2CCSC2)cc1 962706916 MSGKIHGVCKUWTA-ULYRPOKDSA-N 405.966 5.069 50 1 HKGF CCCC(=O)Nc1ccc([C@]2([C@H](C)Cl)c3c(F)cccc3C[C@@H]3CCCN32)cc1 963107118 WQUKHPYKPLVQEH-GSMBIVSISA-N 414.952 5.456 50 1 HKGF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC=C4C[C@H](OO)CC[C@]4(C)[C@@H]3CC[C@@]21C 2356512930 LESGHGUKCRHTCP-SXQPWGJYSA-N 412.658 7.828 50 1 HKGF C=C(Br)[C@](C)(Cl)CC[C@H](Br)C(C)(C)Br 1635864 VYTHSQCDAGXZGQ-WCBMZHEXSA-N 411.403 5.610 50 1 HKGF C=C(CC[C@H](O)c1cccc2ccccc12)[C@@H]1COC2(OO1)C1CC3CC(C1)CC2C3 43356575 FCPIHJXDTTUQSS-QLADLENNSA-N 420.549 5.709 50 1 HKGF C[C@@H](Cl)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 84669501 YPBFNQUIPOQWQC-KSWOSJHVSA-N 405.066 7.568 50 1 HKGF C[C@@H](c1ccc(CBr)cc1)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 586973381 JERPMZHATGORTQ-AWEZNQCLSA-N 422.326 5.984 50 1 HKGF COc1ccc(C)cc1NCCCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587228729 GNFOTBKQINFMQK-UHFFFAOYSA-N 421.435 6.582 50 1 HKGF O=C1c2ccc(O)cc2O[C@@](CCCl)(c2ccc(F)cc2)[C@H]1c1ccc(F)cc1 587329026 BSRWQWSWXZXGHP-GMAHTHKFSA-N 414.835 5.554 50 1 HKGF O=C1C[C@@](CBr)(c2ccc(F)c(Cl)c2)Oc2c1ccc1c2CCCC1 587506022 NNVMVPRULWPDTJ-HXUWFJFHSA-N 423.709 5.614 50 1 HKGF Cc1[nH]c2ccccc2c1[C@@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587545743 SIUKFMYQOMZJOX-ZJSXRUAMSA-N 419.864 5.278 50 1 HKGF CCCCCCCCCSC(=S)NNC(=O)c1ccc(Cl)c(Cl)c1 43411603 CQNJKKSLVXXMTQ-UHFFFAOYSA-N 407.432 5.997 50 1 HKGF Cn1c(Cl)c2c(c1Cl)SSc1c(c(Cl)n(C)c1Cl)SS2 299858191 DHVATPADLPNFHI-UHFFFAOYSA-N 424.252 6.889 50 1 HKGF COc1cc2c3c(c1)OC1([C@H](Cl)CCCCCCCCC[C@H]1Cl)[C@@H](C2)C3=O 587423328 XAKLQRCNBJRVQI-QXAKKESOSA-N 411.369 5.921 50 1 HKGF O=C1C[C@@](CBr)(c2cccc(F)c2F)Oc2c1ccc1c2CCCC1 587502036 HVENMYYELPUIRX-HXUWFJFHSA-N 407.254 5.099 50 1 HKGF CCCCCCCn1c2ccc(C(=O)CCl)cc2c2cc(C(=O)CCl)ccc21 1772609295 CMQQRDBWVSXIGG-UHFFFAOYSA-N 418.364 6.608 50 1 HKGF CCCNc1c(C(=O)O[C@H](C)CC)cnc2c1cnn2C[C@@H](Cl)c1ccccc1 13675567 JXEQVCFVYFMHLC-DNVCBOLYSA-N 414.937 5.189 50 1 HKGF C/C(=C\C=C\[C@H](C)CCC[C@@H](C)CC(=O)[C@H](O)[C@H](C)Cl)CCCc1ccoc1 238735024 BCXQDRHCGIEATA-DDGGBJAWSA-N 409.010 6.495 50 1 HKGF COc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1CCl 587682709 DFTGKPZXJKKNAG-WLRWDXFRSA-N 412.730 5.133 50 1 HKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc3c(c2)CCCC3)N1 587685704 RHZAVXQYIIFEOF-ASSNKEHSSA-N 422.769 5.484 50 1 HKGF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@H](O)CC1=C[C@@H]3OO 85478950 KJIGLXGIVLBXCF-KGZHIOMZSA-N 418.662 6.857 50 1 HKGF COc1ccc(OC)c([C@@H]2C(C#N)=C(C)N=C3C[C@@H](c4ccccc4)CC(O)=C32)c1 103866570 IXIKBHSIWXLTOA-MZNJEOGPSA-N 400.478 5.429 50 1 HKGF N#CCCn1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587498516 OCDRWJVNYJFNCQ-RUZDIDTESA-N 418.924 5.533 50 1 HKGF CCCCCc1c(CBr)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587625829 MYUONCBNDPDFPW-UHFFFAOYSA-N 416.203 6.833 50 1 HKGF CCCCCCc1ccc2[nH]c(-c3ccc(C(F)(F)F)cc3)c(C=C(C#N)C#N)c2c1 35088796 UEXBAUAORSFXMO-UHFFFAOYSA-N 421.466 7.407 50 1 HKGF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccccc1C(=O)Cl)CC2=O 587458956 MGYWMTPGHRDBQX-VWLOTQADSA-N 420.892 5.633 50 1 HKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(CBr)c2)N1 587673218 LLYWRWAUUFBTHD-BTDLBPIBSA-N 413.128 5.107 50 1 HKGF CCc1ccc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)s1 587845279 DJUCGYSJTFKOGG-BMLIUANNSA-N 402.760 5.229 50 1 HKGF COc1ccc(C[C@H](C)c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1OC 587926121 IJPPVSPYPNFOPN-NSHDSACASA-N 422.419 6.584 50 1 HKGF CC(C)C/C=C/C[C@H]1CC[C@H]2[C@@]34C=C[C@]5(C[C@@H](O)CC[C@]5(C)[C@@H]3CC[C@]12C)OO4 49881574 OAKBMFLEIZVVAO-DCNFAXDXSA-N 400.603 5.982 50 1 HKGF Cc1ccc2c3c(cc([C@@H](Br)c4ccccc4)nc13)-c1ccccc1C2=O 586994128 VUZJUCWOOXRXJF-QFIPXVFZSA-N 414.302 6.239 50 1 HKGF Cc1ccc2nc(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2n1 587055745 MKBOQEKXEJKFDU-YBEGLDIGSA-N 422.319 6.045 50 1 HKGF FS(F)(F)(F)(F)c1ccc2nc(C3(c4ccc(Cl)cc4)CCC3)[nH]c2c1 587073429 FSJWZSPYEUCWRK-UHFFFAOYSA-N 408.823 7.344 50 1 HKGF C[C@]1(CBr)[C@H]2CC[C@@]1(CBr)c1nc3cccc4c3c(c12)CC4 587208527 TVDUOPPRWNRMSR-FASAQXTFSA-N 421.176 5.258 50 1 HKGF O=C1c2ccc(O)cc2O[C@]2([C@@H](Cl)CCCCC[C@H]2Cl)[C@@H]1c1ccc(F)cc1 587330229 NDSSJXFGKXTNBJ-XAPVIXHLSA-N 423.311 5.808 50 1 HKGF COc1cc2occ(O)c2cc1[C@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 587500239 ZIWPSGWJIUFGIG-HSZRJFAPSA-N 412.869 5.125 50 1 HKGF N#CC1=C(N)Oc2c(ccc3ccccc23)[C@H]1c1cccc(S(F)(F)(F)(F)F)c1 1857536133 FEIRRIYMVIIAQK-GOSISDBHSA-N 424.394 6.715 50 1 HKGF CC1(C)CCC[C@@]2(C)[C@]3(C)C[C@H](O)[C@@]4(C)CC(C=O)=CC[C@@]4(C)[C@@]3(C)CC[C@]12C 2356332326 DXWFDFCYGZYCCS-RXZSVKITSA-N 400.647 6.712 50 1 HKGF COc1cccc(-c2cc(NC(=O)C(Cl)Cl)cc(-c3cccc(OC)c3)c2)c1 95558222 WGLKVMJZOOUIKK-UHFFFAOYSA-N 416.304 5.780 50 1 HKGF CCCC[C@@H](O)c1ccc([C@H]2CC[C@@H](Cl)[C@@H]2CCCCCCC(=O)OC)cc1 1772620556 VMUCRUMJZGOYGY-SSGKUCQKSA-N 409.010 6.525 50 1 HKGF COC(=O)[C@H](C)[C@H]1CC[C@@](C)([C@@H]2C[C@H]3C(C)(C)[C@H]4CCC(C)=C[C@H]4C[C@@]3(C)O2)OO1 73224349 PNOATZDSQDNWLZ-MFKGMXCUSA-N 420.590 5.231 50 1 HKGF O=C1c2ccc(O)cc2O[C@](CCl)(Cc2ccc(F)cc2)[C@H]1c1ccc(F)cc1 587332879 KGGKACCRSIGLSB-GMAHTHKFSA-N 414.835 5.250 50 1 HKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCCC[C@@H]2Br)N1 587680763 IXXZTIPPSKYOMG-AKWBHNSASA-N 405.149 5.045 50 1 HKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc3nc(CCl)oc23)N1 587683334 GNPRJTRRXKUCMA-OVWNDWIMSA-N 423.713 5.266 50 1 HKGF CC(C)=CCCC(C)=CCCC(C)=CCCC(C=O)=CC[C@@H](O)[C@H]1CC(=O)OC1=O 2356418747 VMRVXHUEJXPHNA-DHIUTWEWSA-N 416.558 5.152 50 1 HKGF C[C@@H](c1ccc(CBr)cc1)c1nc2cccc(OCc3ccccc3)c2[nH]1 586974168 RXGQGZDLATWEGF-INIZCTEOSA-N 421.338 6.189 50 1 HKGF CCCC(=O)Nc1ccc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587500245 ZKRJIUGLAIEVDO-DEOSSOPVSA-N 411.929 5.404 50 1 HKGF Cc1cc(C)c([C@@]2(CCl)c3cccc(F)c3CCN2[C@H]2CCSC2)cc1C 962697844 IGCULZCEZRYTRL-FDDCHVKYSA-N 403.994 5.597 50 1 HKGF CCCN(CCC)C(=O)C(=O)c1c(-c2ccccc2)[nH]c2ccc(N=C=S)cc12 49124737 KVVHMNWUPDMNJO-UHFFFAOYSA-N 405.523 5.401 50 1 HKGF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](Br)C(=O)C3)c1 587357666 KDZGBUBRSSLWES-SFHVURJKSA-N 408.251 5.218 50 1 HKGF C[C@@H](CCCN=C=S)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 1911576583 OMBAPGYVUYVSCN-JQBAOOQESA-N 403.676 6.525 50 1 HKGF N#C/C(C(=O)Nc1ccccc1C(F)(F)F)=C(/O)c1ccc(C(F)(F)F)cc1 100878982 SGJHXVLOBPHXFL-QINSGFPZSA-N 400.278 5.156 50 1 HKGF C[C@@H](c1ccc(CBr)cc1)c1nc2ccc(Br)c(F)c2[nH]1 586972889 CLCCULAXEKACEB-VIFPVBQESA-N 412.100 5.511 50 1 HKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H]3CC[C@]2(CCl)C3(C)C)N1 587686221 SXGWLTBIGWRWIG-DZUZHBOMSA-N 400.763 5.383 50 1 HKGF C=C1C[C@@H](O)[C@@H](Br)C(C)(C)[C@@]12CC[C@](C)(Br)[C@@H](Cl)C2 238767816 JPQFUHCOKXIWBB-FMKNKJFCSA-N 414.609 5.028 50 1 HKGF N=c1cc[nH]cc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587249274 KNHLOVDEJKVPMM-UHFFFAOYSA-N 415.185 5.457 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1c[nH]c3ccccc13)([C@H](Cl)c1ccccc1)O2 587374347 XCBHQRAHQMERBX-JWQCQUIFSA-N 416.908 5.899 50 1 HKGF CCCCCC[C@@]1(CBr)N[C@H](C)Cc2cc(Br)c(F)cc21 587673271 LVNKKVHVEHZJLX-PXAZEXFGSA-N 421.192 5.683 50 1 HKGF COC(=O)[C@@H](C)[C@H]1CC[C@](C)(CC/C=C(\C)CC[C@]2(O)[C@H](C)CCCC2(C)C)OO1 653730223 LGYQILBHOGDNJU-YHQQJKSFSA-N 424.622 5.749 50 1 HKGF CC(=O)O/C=C/C(=C/OC(C)=O)CC/C=C(\C)CC/C=C(\C=O)CCC=C(C)C 140278292 BRIZUHSPVOWINR-YOORASAQSA-N 402.531 5.889 50 1 HKGF CC(C)c1ccc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587687329 ZYSGNGUULJJKCM-RBZFPXEDSA-N 410.758 5.728 50 1 HKGF C[C@H](CC(=O)[C@H](C)[C@@H](C[C@@H](C)C(Cl)Cl)c1nccs1)C(Cl)Cl 2356827391 HQFFUEINDWYIBI-GWOFURMSSA-N 405.218 6.092 50 1 HKGF C=C1C(CCl)(CCl)[C@@]2(Cl)[C@H](Cl)[C@@H](Cl)[C@]1(Cl)C2(Cl)Cl 17263711 OEJNXTAZZBRGDN-YGBUUZGLSA-N 411.798 5.378 50 1 HKGF Cl[C@H]1C[C@H]2[C@@H]([C@@H]1Cl)[C@@]1(Cl)[C@@H](Cl)[C@@H](Cl)[C@@]2(Cl)C1(Cl)Cl 169365326 AHDSBZOIXGOWCI-LGLILTDTSA-N 411.798 5.208 50 1 HKGF CC(C)CCC[C@H](C)CCO[C@H]1CCO[P@](=O)(NCCCl)N1CCCl 299862690 KBDQOZHXGZTWMM-XOWTYJCDSA-N 417.358 5.079 50 1 HKGF COc1ccc(/C=C/CSSC/C=C/c2ccc(OC)c(OC)c2)cc1OC 473119890 NJRBLUVIWPHVPT-KQQUZDAGSA-N 418.580 5.829 50 1 HKGF Cc1cc(Cl)ccc1O[C@H](C)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587067698 LQOMLLCBKXZABS-SNVBAGLBSA-N 412.811 7.322 50 1 HKGF O=C1c2ccc(O)cc2O[C@@](CCCCl)(c2cccs2)[C@@H]1c1ccc(F)cc1 587373261 ICTJJAIYBHKJLJ-IRLDBZIGSA-N 416.901 5.866 50 1 HKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cc3cc(O)[nH]c3cc1Cl)CC2=O 587459390 IIRADIJAAOYIPY-OAQYLSRUSA-N 420.292 5.285 50 1 HKGF CCc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587614811 UWSJBQNIAAOSDI-NQIIRXRSSA-N 400.883 5.112 50 1 HKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc3c(c2)CCC3)([C@@H](C)Cl)N1 587686704 DIZPMUULIVOQPZ-ZNLKAECVSA-N 422.769 5.482 50 1 HKGF CC(=C[C@H](O)[C@@H]1C(C)=C(C)CCC1=C(C)C)[C@@H]1CC[C@@](C)(O)[C@H](Br)C1 2356554427 WRAWOJYEALVOIS-SGCGGLILSA-N 411.424 5.691 50 1 HKGF CC(=O)N(/N=N\c1cccc(C(F)(F)F)c1)c1cc(C(F)(F)F)ccc1C#N 27989142 RDSOPMYRPLRKOS-QPLCGJKRSA-N 400.282 5.648 50 1 HKGF CC(C)[Si](OCc1ccccc1-c1nc2c(C(N)=O)cccc2[nH]1)(C(C)C)C(C)C 194889981 MPMYZDDKEIVFPJ-UHFFFAOYSA-N 423.633 6.021 50 1 HKGF CCCCC/C=C\C[C@@H](/C=C/C=C\C/C=C\CCCC(=O)NCCCC(=O)O)OO 535385366 OFKDGLASQWCAIZ-YLIHFPLRSA-N 421.578 5.581 50 1 HKGF in-vitro C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCCCl)(c2ccc(O)cc2)N1 587686761 XHFJMHJAWASUOL-BLVKFPJESA-N 412.730 5.091 50 1 HKGF CCSc1nc(NCc2ccccc2)c2cnn(C[C@@H](Cl)c3ccccc3)c2n1 13682770 PKFLJZLOSWOVLN-LJQANCHMSA-N 423.973 5.531 50 1 HKGF CN(/N=N/c1ccc2ncnc(Nc3cccc(Cl)c3)c2c1)C(=O)OCCl 45318453 CEJANPMZSKHVCI-WCWDXBQESA-N 405.245 5.290 50 1 HKGF C=C(c1ccc2ccccc2c1)C1CCC2(CC1)CO[C@H](Nc1ccccc1)OO2 64454110 VBHDWOCQTAQRMO-FQKSQLJCSA-N 401.506 6.156 50 1 HKGF Cc1ccc([C@]2([C@@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C 587323610 LOSWBYCBBMLNQQ-KITIHOALSA-N 424.899 6.030 50 1 HKGF CC(C)=CCCC(C=O)=CCCC(C)=CCC[C@@]1(C)C=Cc2cc(O)cc(C)c2O1 2356586195 PFYWXIXLDAWXHZ-MHZLTWQESA-N 408.582 7.243 50 1 HKGF C[C@H](CCCCCCCCc1ccccc1)C[C@]1(C)C[C@@H](C)[C@@](O)(CC(=O)O)OO1 2356651252 GUSPWEANGOMOST-OVSMBABESA-N 420.590 5.896 50 1 HKGF C[C@@H](c1ccc(CBr)cc1)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 586973171 GAWUEIBTVOQSKV-VIFPVBQESA-N 417.656 6.282 50 1 HKGF C[C@@H](Cl)C(=O)Nc1ccccc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587101689 KROMMQNPRUMIBS-CQSZACIVSA-N 412.876 5.679 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(NC(=O)C(C)(C)C)cc1)([C@@H](C)Cl)O2 587373146 PZSCABLCQCDWTC-QKFKETGDSA-N 414.933 5.050 50 1 HKGF COc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2CCCl)cc1 587622109 XKXMSHUNZWXRPV-UHFFFAOYSA-N 404.695 5.264 50 1 HKGF CC(/C=C\C=O)=C/C=C/C=C(C)/C=C/C=C(C)\C=C\[C@]12O[C@@]1(C)C[C@@H](O)CC2(C)C 13371351 QZOYIQGWDBXSHB-IZFYZYBLSA-N 408.582 5.958 50 1 HKGF endogenous,in-man CC1(C)[C@]2(Cl)[C@@H](Cl)[C@H](Cl)[C@](Cl)(C(Cl)Cl)[C@]1(Cl)[C@@H]2Cl 100067488 DVEYBSZJQZPNLT-KTUJLNASSA-N 413.814 5.599 50 1 HKGF in-vitro [N-]=[N+]=Nc1ccc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587501815 YQEWWZYTYDEDNH-HXUWFJFHSA-N 412.287 5.763 50 1 HKGF CCc1ccc([C@]2([C@@H](C)Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587545636 RWTAXXOZOCXDSJ-SJODRWRQSA-N 408.881 5.439 50 1 HKGF Cc1cc(C)c([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1C 587689320 RRHZBCBFTSJUOT-LRTDBIEQSA-N 424.785 5.838 50 1 HKGF O=C(N/N=C/c1cccc(OCc2ccccc2)c1)c1cc2c(cn1)[nH]c1ccccc12 1857758261 ZJECCVROOZRPAX-RWPZCVJISA-N 420.472 5.059 50 1 HKGF C[C@@H](CCC[C@H](C)CCCCc1ccccc1)C[C@]1(C)C[C@@H](C)[C@@H](CC(=O)O)OO1 2356493232 LSXRGRHXZNJETP-XMMSGYHISA-N 418.618 6.822 50 1 HKGF C=C1CCCC(C)(C)[C@H]1CC[C@H](C)CCC[C@@]1(C)CC[C@H]([C@H](C)C(=O)OC)OO1 44053503 QBFWTWXSXJFPRL-INASXULFSA-N 408.623 6.634 50 1 HKGF C/C(=N\NC(=O)c1ccc(Br)cc1)c1ccc(-n2c(C)ccc2C)cc1 103238057 HAXBBDRHZMQGOJ-XQNSMLJCSA-N 410.315 5.011 50 1 HKGF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1ccccc1-c1c(C(=O)Cl)cccc12 587497826 MRSPAIFDEOGNTM-AREMUKBSSA-N 414.888 5.834 50 1 HKGF Cc1cc(C)c([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C 587688572 MINNDERUTUHZMO-VBKZILBWSA-N 410.758 5.530 50 1 HKGF CCO/C(O)=C1\C(CSc2ccncc2)=NC(C)=C(C#N)[C@H]1c1ccccc1C 40447657 MJZYIQXTCMOKJT-FBNDGMMSSA-N 405.523 5.324 50 1 HKGF N#CSC[C@@H]1C[C@](O)(c2ccccc2)[C@@H](c2ccccc2)[C@H](c2ccccc2)O1 49115292 ASFZJMRECGOZIJ-QORCZRPOSA-N 401.531 5.402 50 1 HKGF CCOc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1CCl 586994029 RNPUPRRXABWFNU-UHFFFAOYSA-N 413.904 6.559 50 1 HKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)c1cccc(Cl)c1 587544454 NWEZACQVHCDEDU-GHTZIAJQSA-N 401.245 5.142 50 1 HKGF CCCN1[C@H](C)Cc2ccccc2[C@@]1(/C(C#N)=C/c1ccccc1[N+](=O)[O-])C(C)(C)C 963228636 MEZOHIGELKAJKW-TZPTVCRDSA-N 417.553 6.100 50 1 HKGF CC(C)/N=C1\CCC[C@H]1C(=S)SSC(=S)[C@@H]1CCC/C1=N\C(C)C 5432681 SNLSXBAIXLUAAE-JJKKRXGVSA-N 400.704 6.322 50 1 HKGF CCC(=O)N(c1ccccc1)[C@H]1CCN(CCc2ccc(N=C=S)cc2)C[C@H]1C 26027859 ZQESQBVNDBLWAM-XXBNENTESA-N 407.583 5.117 50 1 HKGF C[C@H](CCCBr)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 84653227 UCTHAWBPJNZDQE-SVYVOUITSA-N 421.463 6.946 50 1 HKGF COc1ccc([C@@H]2CC3=NC(C)=C(C#N)[C@H](c4ccc5c(c4)OCO5)C3=C(O)C2)cc1 103996551 AQLIFGBLQZRVSR-OSPHWJPCSA-N 414.461 5.149 50 1 HKGF CCCCc1ccc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587685387 PUBVRLMDLMMDKS-QKKBWIMNSA-N 424.785 5.947 50 1 HKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(C(C)(C)C)cc2)N1 587689932 XURPYECNNAAKPG-ZSEKCTLFSA-N 424.785 5.902 50 1 HKGF C[C@H](Cl)[C@]1(c2ccc(F)c(F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 587724733 LUEFJMGNYZQZSB-AUSHCKSDSA-N 418.684 5.272 50 1 HKGF C=C(CCC1=C(C)CCCC1(C)C)[C@H](O)CC[C@]1(C)CC[C@@H]([C@@H](C)C(=O)OC)OO1 621430858 BPXMABUZGFJCPY-XBZNOJLSSA-N 422.606 5.669 50 1 HKGF Cn1cccc1CN1CCc2sccc2[C@@H]1CCCO[Si](C)(C)C(C)(C)C 962374295 OYHLPQUMNFEUIK-FQEVSTJZSA-N 404.696 5.988 50 1 HKGF COc1ccccc1-c1cc(NC(=O)C(Cl)Cl)cc(-c2ccccc2OC)c1 95561051 ONBBVMMADULOFV-UHFFFAOYSA-N 416.304 5.780 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(C)c(Cl)c1)([C@@H](C)Br)O2 587376405 XLPGTKAAFXECRJ-BLVKFPJESA-N 408.723 5.183 50 1 HKGF CCCc1ccc([C@@]2(CBr)CC(=O)c3ccc(O)c(CCC)c3O2)cc1 587455976 ICXJUVIQDYWOJK-QFIPXVFZSA-N 417.343 5.553 50 1 HKGF COCCCn1c(C)cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587495952 BAOLZJSSKFHAAM-DEOSSOPVSA-N 415.961 5.120 50 1 HKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCCl)(c2ccccc2F)N1 587724924 AFMWZDNSABJPDF-ZMZPIMSZSA-N 400.694 5.134 50 1 HKGF C=C1CC[C@@H](Br)C(C)(C)[C@@H]1Cc1cc(O)c(Br)cc1OC 2356794883 LNRQNLLHADGLMJ-MLGOLLRUSA-N 418.169 5.462 50 1 HKGF O=C(Cc1ccccc1Nc1c(Cl)cccc1Cl)N/N=C/c1ccc(O)cc1 29123228 WRQZCVLHBZPWFS-ZMOGYAJESA-N 414.292 5.135 50 1 HKGF CC(C)[C@H](CO)NCc1cccc(C#Cc2ccc(S(F)(F)(F)(F)F)cc2)n1 218699835 NOHQEXNEHTTYDD-IBGZPJMESA-N 420.447 5.245 50 1 HKGF COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)n(-c4ccc(C)cc4)c1C)[C@@H](C2)C3=O 587418758 VEOJJYLNSPCMAG-SQJMNOBHSA-N 421.924 5.293 50 1 HKGF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2-c2c(C(=O)Cl)cccc21 587460304 SVIIYEOWQBXSID-VWLOTQADSA-N 418.876 5.613 50 1 HKGF Cc1cc([C@]2(CCCCl)c3cccc(F)c3CCN2[C@H]2CCSC2)ccc1F 962693783 DGGQKHZBMBUAJO-FDDCHVKYSA-N 421.984 5.899 50 1 HKGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](CBr)(c2ccccc2SC)N1 962949659 QDCKMWRXTDIDBQ-SZNDQCEHSA-N 415.400 5.453 50 1 HKGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](CBr)(c2ccccc2Cl)N1 962957239 OASZQKNKPULVKS-XCLFUZPHSA-N 403.751 5.384 50 1 HKGF CCCc1c(O)ccc2c1O[C@](CCl)(CC13CC4CC(CC(C4)C1)C3)CC2=O 587457910 DGZBSMNLVMNUDK-WCZBPMHTSA-N 402.962 5.894 50 1 HKGF CC[C@H](C)c1ccc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587687372 GHKAGVUFEPAMAF-RXSFTSLZSA-N 424.785 6.118 50 1 HKGF COc1cc([C@@]2(C)c3ccc(F)cc3C[C@H]3CCCN32)ccc1OCCCCl 963098196 GDFIGJUUIDUXAV-XXBNENTESA-N 403.925 5.126 50 1 HKGF CCCCCC=CC(=O)[C@@H]1CSSC[C@@H]2CCC[C@@H]2Oc2cc(ccc2O)C1 2356372068 XPHGCDJULMAVTL-IPJJNNNSSA-N 420.640 6.199 50 1 HKGF N#C/C(=C1/Nc2ccccc2S1)c1ccnc(NCCc2cccc(Cl)c2)n1 13647760 IRJZMMMMXQUTQV-CAPFRKAQSA-N 405.914 5.195 50 1 HKGF O=C(Cc1ccccc1Nc1c(Cl)cccc1Cl)N/N=C/c1ccccc1O 29123300 QJXZDPBEHDWLQE-ZMOGYAJESA-N 414.292 5.135 50 1 HKGF C/C(C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=O 95636278 DTXLMVIHOKFQAR-VLOFKIHKSA-N 408.582 5.706 50 1 HKGF in-vitro CC[C@@H]1C(=O)C[C@@H](c2ccc(Cl)cc2)N(C(=O)CCl)[C@H]1c1ccc(Cl)cc1 103294574 NBOZASNOGSEHMN-LQWHRVPQSA-N 424.755 5.842 50 1 HKGF COc1cccc(-c2c(CCCl)c(CCCCl)nc3c2oc2ccccc23)c1 587358853 URVYWQJRKTZBFZ-UHFFFAOYSA-N 414.332 6.609 50 1 HKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(CCC(C)C)c1C)CC2=O 587461205 QVOAQQTWLHDENK-XMMPIXPASA-N 417.977 5.909 50 1 HKGF N#Cc1ccc2[nH]cc([C@@]3(CCCCl)CC(=O)c4ccc5c(c4O3)CCCC5)c2c1 587500141 YPLLQDOITDDINZ-RUZDIDTESA-N 418.924 5.798 50 1 HKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@@H](Cl)CCCCC[C@H]2Cl 587702475 DLHIFVGEPZHUDN-MJRMRKOOSA-N 409.170 5.497 50 1 HKGF C[C@@H](CC=CC(C)(C)OO)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356456848 SISZKTSVHKUZKL-AFRHYULMSA-N 416.646 6.777 50 1 HKGF CC(=CC[C@H](Cl)[C@](C)(Br)CCl)[C@H](Cl)CBr 2356754105 HHJBRGGJADRQIH-KXUCPTDWSA-N 401.397 5.325 50 1 HKGF C/C(=C\C[C@@H](Cl)[C@@](C)(Br)CCl)[C@@H](Cl)CBr 140476381 HHJBRGGJADRQIH-UBDQEAECSA-N 401.397 5.325 50 1 HKGF Cc1[nH]c2ccccc2c1[C@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587545738 SIUKFMYQOMZJOX-URXFXBBRSA-N 419.864 5.278 50 1 HKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc(C)c1F 587721988 XILWBAJYVUPIGK-CWTRNNRKSA-N 414.721 5.361 50 1 HKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(Cl)s2)N1 587848926 QABWJWBNEQOPHI-ANRSDYALSA-N 409.151 5.320 50 1 HKGF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)O[C@](C)(CC/C=C\C#N)[C@H]3CC[C@@]21C 3919774 PIKMPFHAGPWQAM-QPCQJECTSA-N 413.646 7.073 50 1 HKGF COc1ccc2onc(/C(C#N)=C/c3ccccc3OCCCN3CCCCC3)c2c1 40554469 WCHYHIKBSWXPPJ-CAPFRKAQSA-N 417.509 5.155 50 1 HKGF CC(C)C[C@H](O)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 586901065 NXXHJNCLOSHTIT-JTQLQIEISA-N 409.218 6.062 50 1 HKGF COc1ccc(C)cc1C(=O)CCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587786617 JBWQIUVVYMWTIP-UHFFFAOYSA-N 420.403 6.353 50 1 HKGF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@]2(CBr)C1(c2ccccc2)CC1 963105002 MKWAGDUVQLDYRK-UGKGYDQZSA-N 400.335 5.168 50 1 HKGF CCOc1ccc(/C=N/NC(=O)/C=C/c2ccc(-c3ccccc3)cc2)cc1OCC 1857645322 IAAXLDXGHMQAGI-QHIPFGGWSA-N 414.505 5.315 50 1 HKGF CC(=CCCc1coc(Cc2ccoc2)c1)CCC[C@H](C)CC(=O)[C@H](O)[C@H](C)Cl 2356522869 XJDJFTYVYSQNPJ-AXHZCLLHSA-N 420.977 6.096 50 1 HKGF C/C(=C/CC[C@H](C)CC(=O)[C@H](O)[C@@H](C)Cl)CCCc1coc(Cc2ccoc2)c1 34363969 WHSPRQDLSQTWAX-IARCDIDDSA-N 420.977 6.096 50 1 HKGF CC1(C)O[C@@](C)([C@@H]2CC[C@](C)(Br)[C@@H](Cl)C2)CC[C@@H]1Br 49780400 FGWVVJIZZSRMKT-FUQNVFFISA-N 416.625 5.659 50 1 HKGF C=C1CC[C@H](O)C=C1[C@H](/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCCC(C)C)OO 102193830 OKWXSBKIQMWBRN-HLSOVJLGSA-N 416.646 7.087 50 1 HKGF CC1=C(C#N)[C@H](c2cccc(Cl)c2Cl)C2=C(O)C[C@@H](c3ccccc3)CC2=N1 103521217 SUJYBCZXBKDUPQ-BTYIYWSLSA-N 409.316 6.719 50 1 HKGF C#C/C=C\C[C@H]1O[C@H](C/C=C(/Br)CC)[C@@H](Br)C[C@@H]1Cl 238743895 NZHWXNQBZKBACG-MYWVGELKSA-N 410.577 5.173 50 1 HKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ccc(Cl)s1 587614161 RARGBQPLIPYCMF-APWZRJJASA-N 407.274 5.203 50 1 HKGF CC(C)[Si](OCc1ccc(-c2nc3c(C(N)=O)cccc3[nH]2)cc1)(C(C)C)C(C)C 170018867 FDPOAYXCTKRPRX-UHFFFAOYSA-N 423.633 6.021 50 1 HKGF Cc1c(Br)ccc2nc([C@H](C)c3ccc(CBr)cc3)[nH]c12 586974314 VMLOMLUQINMZPE-SNVBAGLBSA-N 408.137 5.681 50 1 HKGF Cc1cc(/C=C(/C#N)c2nc3cnncc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587057166 ULIHRWUCNPIHDG-AUWJEWJLSA-N 409.280 5.131 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1cc(C)n(-c3ccccc3)c1C)([C@@H](C)Cl)O2 587371475 FUWTZIHXPVIYJU-MZNJEOGPSA-N 408.929 5.473 50 1 HKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc3c(c2)CCC3)N1 587687076 YQTPENCVGVFWRQ-ODXCJYRJSA-N 408.742 5.094 50 1 HKGF Cc1ccc(/C=C(/C#N)c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc1 587187616 JMJYQSHPLODOBJ-WQLSENKSSA-N 406.205 5.717 50 1 HKGF Cl/C(=C(/c1ccccc1)c1ccc(OCCBr)cc1)c1ccccc1 27879732 JJWIZGGLPOBKQJ-DQRAZIAOSA-N 413.742 6.616 50 1 HKGF O=C(N/N=C(\CCCCl)c1ccc2c(c1)CCCC2)c1cc2ccccc2cc1O 103234601 OTTBEFLGXRYAMZ-SLEBQGDGSA-N 420.940 5.577 50 1 HKGF Cc1ccc([N+](=O)[O-])c(OCCc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1 587262155 ORRSJLJEVREBIM-UHFFFAOYSA-N 423.363 6.058 50 1 HKGF CC1(C)[C@@H]2CC[C@@]1(CCl)[C@]1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587326316 KSVIFWVOCVKQOA-BWGBAMLBSA-N 414.904 5.694 50 1 HKGF C=C(CC[C@@H](O)c1cccc2ccccc12)[C@@H]1COC2(OO1)C1CC3CC(C1)CC2C3 43356576 FCPIHJXDTTUQSS-YABLJEOJSA-N 420.549 5.709 50 1 HKGF C=C(c1ccccc1)[C@H]1COC2(CCC(Nc3cccc4ccccc34)CC2)OO1 43888761 HWZFKWOEKVZKFP-FZCDEOOCSA-N 401.506 5.951 50 1 HKGF C[C@H](CCCC/C=C/CC/C=C/c1ccccc1)C[C@]1(C)C[C@](C)(CC(=O)O)OO1 140498980 CRORVGKIBBBYNQ-SAKZZJKQSA-N 414.586 6.967 50 1 HKGF COc1cc2c(cc1OC)SSc1cc(OC)c(OC)cc1SS2 196130822 BZKPFPONLQPHSK-UHFFFAOYSA-N 400.568 5.633 50 1 HKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCCl)(c2ccccc2F)N1 587729401 VBRKVFNTTBDVGX-ADLMAVQZSA-N 400.694 5.134 50 1 HKGF CC(=C[C@H](O)[C@@H]1C(C)=C(C)CCC1=C(C)C)[C@@H]1CC[C@](C)(O)[C@H](Br)C1 2356554424 WRAWOJYEALVOIS-BLCKVISQSA-N 411.424 5.691 50 1 HKGF COc1c2ccoc2c(OC/C=C(\C)C/C=C/C(C)(C)OO)c2oc(=O)ccc12 238744226 XOQZMJZCEMCSME-NMMCDXKJSA-N 400.427 5.087 50 1 HKGF C=C(Cl)[C@@](Br)(CCl)CC[C@@H](Br)C(C)(C)Cl 1638687 ODSBJZRNTONBMP-SCZZXKLOSA-N 401.397 5.673 50 1 HKGF C=C1CCCC(C)(C)[C@]1(O)CC/C(C)=C/CC[C@@]1(C)CC[C@@H]([C@@H](C)C(=O)OC)OO1 238775117 RZBOFZRCMWQHOO-IRGXOBJFSA-N 422.606 5.669 50 1 HKGF O=C1c2ccc(O)cc2OC2([C@H](Cl)CCCCC[C@H]2Cl)[C@H]1c1ccc(F)cc1 587330223 NDSSJXFGKXTNBJ-AQNXPRMDSA-N 423.311 5.808 50 1 HKGF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@@H](Br)C(C)C)CC2=O 587454612 ZCGIZYXTPLPSLC-VXKWHMMOSA-N 417.343 5.625 50 1 HKGF FS(F)(F)(F)(F)c1ccc2nc(Cc3cccc(-c4ccccc4)c3)[nH]c2c1 587962808 ZTUOZJPVEWZQGN-UHFFFAOYSA-N 410.411 7.478 50 1 HKGF Br[C@@H]1CCCCCCCCCC[C@]12NCCc1nc3ccccn3c12 962986461 UIGLIKMAFXCQNO-NQIIRXRSSA-N 404.396 5.353 50 1 HKGF CC1(C)[C@@]2(Cl)[C@H](Cl)[C@H](Cl)[C@](Cl)(C(Cl)Cl)[C@]1(Cl)[C@@H]2Cl 8214717 DVEYBSZJQZPNLT-RKUMNTFXSA-N 413.814 5.599 50 1 HKGF in-vitro C=C(c1cccc2ccccc12)C1CCC2(CC1)CO[C@H](Nc1ccccc1)OO2 64446727 NPHIEIQZWXXRNA-FQKSQLJCSA-N 401.506 6.156 50 1 HKGF C[C@]1(CCCCCCCCCCc2ccc(O)cc2)C[C@]2(C)OC(=O)C[C@@H]2OO1 2356444020 HTLXDQKFQAWFHV-XWGVYQGASA-N 404.547 5.630 50 1 HKGF ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@@H]([C@H](Cl)[C@@]4(Cl)O[C@H]34)[C@@]1(Cl)C2(Cl)Cl 101159058 VWGNQYSIWFHEQU-INWPWSIYSA-N 423.765 5.019 50 1 HKGF in-man COc1cc(OC)c2c(-c3ccc(Cl)cc3)c[nH]c2c1C(=O)NNc1ccccc1 299866815 PLVOWXROZRTXMF-UHFFFAOYSA-N 421.884 5.262 50 1 HKGF Cc1cc(C)c([C@]2([C@H](C)Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C 587541278 ALPIFMSFPGCQES-WVBBGBOVSA-N 422.908 5.802 50 1 HKGF COc1ccc(Cl)cc1C#Cc1ccc(/C(C#N)=C/c2cccc3ccccc23)cc1 587906113 RDRMGFJFSVRTBZ-KOEQRZSOSA-N 419.911 6.966 50 1 HKGF COc1cc(C=C(C#N)c2nc3ccccc3[nH]2)ccc1OCc1ccccc1Cl 1857621574 ZYMUOURINAGDSO-UHFFFAOYSA-N 415.880 5.868 50 1 HKGF C=C(c1ccc(Cl)cc1)[C@H]1CCOC2(CCC(Nc3ccc(F)cc3)CC2)OO1 49881906 URQFTEXSQKJKHH-OOMBGRCJSA-N 417.908 5.980 50 1 HKGF CC1(C)C[C@H]2[C@H](C=C(C=O)[C@]3([C@H]4CC(=O)c5ccc6c(c5O4)CCCC6)C[C@]23C)C1 587527874 XIVSZNFHZIOLTL-HZCGLGMHSA-N 404.550 5.487 50 1 HKGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(N(CCCl)CCCl)cc2)N1 962953277 QNLMHJNPONDCPG-VGOFRKELSA-N 416.396 5.466 50 1 HKGF CC(=O)N(/N=N\c1c(Cl)cccc1Cl)c1cc(C(F)(F)F)ccc1C#N 27989621 PEJJLDOATOKTGK-VHXPQNKSSA-N 401.175 5.936 50 1 HKGF FS(F)(F)(F)(F)c1ccc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c2c1 587076905 ZQVOJSMJIIZIPL-UHFFFAOYSA-N 421.782 6.121 50 1 HKGF COc1cc2c3c(c1)O[C@@](c1ccc(C(C)C)cc1C(C)C)([C@@H](C)Cl)[C@@H](C2)C3=O 587416954 GVVROYDEAXGCFD-DIUWLVJMSA-N 412.957 6.212 50 1 HKGF CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@@H](Cl)c1ccccc1)CC2=O 587459081 MSDVRQOPORERGC-LOSJGSFVSA-N 406.909 6.186 50 1 HKGF C=CCC[C@@H](OCOCCOC)c1cc(C)c(O[Si](C)(C)C(C)(C)C)c(C)c1 195453733 GXDCHEFQKSOVBO-OAQYLSRUSA-N 408.655 6.332 50 1 HKGF CC(C)(F)[C@H](Br)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 587086516 BYPBCLAZERPBBC-SECBINFHSA-N 418.026 5.528 50 1 HKGF CCCc1ccc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587682585 DCEXRSWUODDJDI-RNODOKPDSA-N 410.758 5.557 50 1 HKGF C[C@]1(CCCCCCCCCCc2ccccc2)CC[C@](C)(CCC(=O)O)OO1 2356822591 FXARBNGSFQVXFA-DQEYMECFSA-N 404.591 6.864 50 1 HKGF Cc1ccc(-c2nc(-c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)cs2)o1 587016940 QHWHQERVXBTPSI-UHFFFAOYSA-N 407.389 6.912 50 1 HKGF C[C@H](C=Cc1ccccc1)CC=C[C@H](C)C[C@H](C)C[C@@]1(C)C[C@@](C)(CC(=O)O)OO1 2356491878 RNPUPYFEZWXDFS-KVDSHIEYSA-N 414.586 6.679 50 1 HKGF CCC(=O)N(c1ccccc1)[C@@H]1CCN(CCc2ccc(N=C=S)cc2)C[C@H]1C 26028566 ZQESQBVNDBLWAM-AUSIDOKSSA-N 407.583 5.117 50 1 HKGF COC(=O)[C@H](C)[C@@H]1CC[C@@](C)(CCC/C(C)=C/C[C@H]2C(C)=CCCC2(C)C)OO1 238775707 GTRMWSMRZUVWBH-USBYXGOZSA-N 406.607 6.554 50 1 HKGF O=C1C[C@](CCl)(Cc2ccc(Br)cc2)Oc2c1ccc1c2CCCC1 587495281 CCWHWEFQGRZFLT-NRFANRHFSA-N 419.746 5.513 50 1 HKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(C(C)(C)C)cc2)N1 587689929 XURPYECNNAAKPG-ASSNKEHSSA-N 424.785 5.902 50 1 HKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)s1 587842480 FPGDRGRSNWZELP-XLFHBGCDSA-N 402.760 5.283 50 1 HKGF CC1(C)[C@@H](C(Cl)Cl)[C@@]2(Cl)[C@H](Cl)[C@H](Cl)[C@]1(Cl)C2(Cl)Cl 8214716 HRBUJQUHXGOSQW-RDEBMWJOSA-N 413.814 5.804 50 1 HKGF in-vitro CC(/C=C\C=O)=C/C=C/C=C(C)/C=C/C=C(C)\C=C\[C@]12O[C@@]1(C)C[C@H](O)CC2(C)C 13371354 QZOYIQGWDBXSHB-PPNURUTESA-N 408.582 5.958 50 1 HKGF endogenous,in-man Cc1c(C)c2c(c(C)c1O)CC[C@](C)(CNC(=O)CCCC[C@@H]1CCSS1)O2 45386033 BDRIOSNEDHVQNW-VGOFRKELSA-N 423.644 5.231 50 1 HKGF C=C1C[C@H](O)[C@H](Br)C(C)(C)[C@]12CC[C@@](C)(Cl)[C@@H](Br)C2 73314986 KKDUTGUFMQDATD-JVSQWTDWSA-N 414.609 5.028 50 1 HKGF biogenic CSc1ccccc1P(c1ccccc1SC)c1ccccc1SC 73353830 DRQSTMDEXDIYTG-UHFFFAOYSA-N 400.574 5.611 50 1 HKGF Cc1nn(-c2ccccc2)c2c1[C@@H](c1cccc(Oc3ccccc3)c1)C(C#N)=C(N)O2 84653877 FKWZLLLVEOKDHW-DEOSSOPVSA-N 420.472 5.191 50 1 HKGF C[C@H](C(=O)N/N=C/c1ccc(C(F)(F)F)cc1)c1ccc(-c2ccccc2)c(F)c1 103200180 TUJGPCMBJVILQQ-AYLNWMBDSA-N 414.402 5.765 50 1 HKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n([C@H](C)COC)c1C)CC2=O 587457890 CXTSMQKNZJPZHR-IQMFZBJNSA-N 419.949 5.070 50 1 HKGF C[C@H](Cl)[C@@]1(c2ccc(F)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587559431 XKHPHZGDVDIJJX-HIDBYJOQSA-N 416.807 5.155 50 1 HKGF CCCN1[C@H](C)Cc2ccccc2[C@@]12CCCCCCCCCC[C@H]2Br 963231086 PYPIXTNTQNOMHB-AGILITTLSA-N 420.479 7.217 50 1 HKGF CCCCCC=CC[C@@H](O[Si](C)(C)C)[C@@H](CCCCCCCC(=O)OC)OC 2356514835 NVKODTLOGVHURD-FGZHOGPDSA-N 414.703 6.652 50 1 HKGF CCc1ccc([C@]2([C@@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587325385 YCUVSJPOUZREBG-OJJCTEDXSA-N 424.899 5.975 50 1 HKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c(C)c1C 587688706 NIEVGGMJTXOJBH-XUSGNXJCSA-N 424.785 5.838 50 1 HKGF O=C1c2ccc(O)cc2O[C@@](CCCCl)(c2ccccc2)[C@@H]1c1ccc(F)cc1 587325455 FTDBPWNSUMPELK-VWNXMTODSA-N 410.872 5.805 50 1 HKGF COc1ccc(-n2c(C)cc([C@@]3(CCl)CC(=O)c4cc(C)cc(N)c4O3)c2C)cc1 587372475 LUKARVAYLDIKBY-DEOSSOPVSA-N 424.928 5.093 50 1 HKGF N#CSC[C@]1(c2ccc(Cl)cc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587530845 FFSWJAOWWOACLR-NRFANRHFSA-N 418.345 5.947 50 1 HKGF N#CSC[C@@]1(c2ccc(Cl)cc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587530848 FFSWJAOWWOACLR-OAQYLSRUSA-N 418.345 5.947 50 1 HKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(C2CCCCC2)N1 587674608 YBHBLLUOSDUKLZ-PIGZYNQJSA-N 419.176 5.293 50 1 HKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(C(Cl)Cl)N1 587690181 ZWMUGSMLPBFSLP-QGHHPUGFSA-N 403.122 5.170 50 1 HKGF C[C@H](CCCCCCC=CC=Cc1ccccc1)C[C@@]1(C)C[C@@](C)(CC(=O)O)OO1 2356503369 GBVSDTSXHOBZRG-ZSQFBXSQSA-N 414.586 6.967 50 1 HKGF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC=C4C[C@H](OO)CC[C@]4(C)[C@H]3CC[C@@]21C 2356512929 LESGHGUKCRHTCP-SDNXKOOGSA-N 412.658 7.828 50 1 HKGF C=CC[C@H](C[C@H](C[C@@H](C[C@@H](OC)C(=C)C=C(C)CC=C(C)C#N)OC)OC)OC 2356794712 IBWHSOUJBPQKSP-JLLPCOHGSA-N 405.579 5.155 50 1 HKGF CCCCCC[C@H](C(=O)NN)c1c(C)n(Cc2ccccc2)c2ccc(OC)cc12 13446010 MYZQXDPCWLOWLH-NRFANRHFSA-N 407.558 5.051 50 1 HKGF O=C(N/N=C/c1cccs1)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 28643126 DSNMAJSGWLLANW-CVKSISIWSA-N 415.562 5.528 50 1 HKGF N#CC1=C(/N=C\c2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)S[C@H]2CCCC[C@H]12 36151606 KIBZYGPSCVIUCQ-GKXNMQKXSA-N 412.898 5.758 50 1 HKGF N#CC1=C(N)Oc2c(ccc3ccccc23)[C@H]1c1ccccc1C#CC1(O)CCCCC1 73161150 OIGNSUMUMIZBML-RUZDIDTESA-N 420.512 5.105 50 1 HKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCCCl)(c2ccc(F)cc2)N1 587735141 WKXWZMKNHBSYCO-CWTRNNRKSA-N 414.721 5.524 50 1 HKGF C/C1=C\[C@H](OC(=O)NCCCl)C[C@@](C)(O)/C=C/[C@H](C(C)C)CC/C(C)=C/CC1 29057847 ASERFLMHCJBCPH-OJLKJCBCSA-N 412.014 5.756 50 1 HKGF CC(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(\C)C=O 34098018 WJIRXBXHLMIPEE-FXMPDBABSA-N 414.633 8.664 50 1 HKGF CC[C@@H](/C=C\CCC(=O)C[C@H](O)CCC=C(C)C)O[Si](C(C)C)(C(C)C)C(C)C 195504776 FKLWVAQESZRPSK-BJWZYDGJSA-N 424.742 7.360 50 1 HKGF CC[C@@H]1/C(=N/OC(=O)O[C@H](C)Cl)C[C@@H](c2ccccc2)N(C)[C@H]1c1ccccc1 299848915 OJRZNSBREGNNNV-YDMCYBDLSA-N 414.933 5.925 50 1 HKGF O=C1c2ccc(O)cc2O[C@@](CCCl)(c2cccs2)[C@@H]1c1ccc(F)cc1 587378383 UYGZQDHUOPXUCS-CTNGQTDRSA-N 402.874 5.476 50 1 HKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCCCl)c1cccs1 587615932 YDJQVWWEKNIURK-RXVVDRJESA-N 400.883 5.330 50 1 HKGF COc1ccc2c(c1)[C@]1(CCCC[C@@H]1O[Si](C)(C)C(C)(C)C)N(C(C)C)CC2 962086624 CKILAXAYECGLCX-UPVQGACJSA-N 403.683 6.121 50 1 HKGF COC(=O)[C@H](C)[C@@H]1CC[C@](C)(CC[C@@H]2[C@](C)(O)CC[C@@H]3C(C)(C)CCC[C@@]23C)OO1 2356516322 UKQQQFDVYRDSMR-MXEOIZFVSA-N 424.622 5.439 50 1 HKGF C(=N\c1ccc(SSc2ccc(/N=C/c3ccccc3)cc2)cc1)\c1ccccc1 100890646 XLKUGPMPZKTQKD-RIRMOVKSSA-N 424.594 7.987 50 1 HKGF ClC1=C(Cl)[C@@]2(Cl)[C@H]3[C@H](C[C@@H](Cl)[C@@H]3Cl)[C@@]1(Cl)C2(Cl)Cl 102885156 BIWJNBZANLAXMG-BMNWGQGISA-N 409.782 5.683 50 1 HKGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2c[nH]c3ccccc23)[C@H]1c1ccc(F)cc1 587327685 QUQHPWJDNNBKTR-UPVQGACJSA-N 421.855 5.506 50 1 HKGF O=C1C[C@@H](c2cccc(OCCBr)c2)Oc2c1ccc1c2CCCC1 587498012 FCADTLOPAOAPCE-FQEVSTJZSA-N 401.300 5.046 50 1 HKGF CCc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587614813 UWSJBQNIAAOSDI-WIYYLYMNSA-N 400.883 5.112 50 1 HKGF CC(=O)O[C@H]1CC(C)(C)C(=C=CC(C)=CC=CC(C)=CC=CC=C(C)C=O)[C@@](C)(O)C1 2356752835 VUTCKOBMFJDHLW-IIZZQMJKSA-N 424.581 5.721 50 1 HKGF CC1=C(/C=C/C2=CC=C(C=O)[C@](C)(/C=C/C3=C(C)CCCC3(C)C)C2)C(C)(C)CCC1 34745742 LOUHCSURLOXKIJ-SQHMQJQXSA-N 418.665 8.614 50 1 HKGF CC(C)C/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@]34C=C[C@]5(C[C@@H](O)CC[C@]5(C)C3=CC[C@]12C)OO4 43589901 CAUMZAZCOGASOU-LRCFNPBWSA-N 412.614 6.148 50 1 HKGF CC(C)[C@H](C)/C=C/C[C@H]1CC[C@H]2[C@@]34C=C[C@]5(C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@]12C)OO4 255208508 DXBFOXLIWFGNBY-BJUUCVCCSA-N 414.630 6.228 50 1 HKGF CCCc1c(O)ccc2c1O[C@@](CBr)(C(C)(C)c1ccccc1)CC2=O 587457185 VTBLILQPFHXSDC-QFIPXVFZSA-N 417.343 5.421 50 1 HKGF CCCN(CCC)NC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 28641557 QHWUHHCENCFUCA-UHFFFAOYSA-N 405.586 5.469 50 1 HKGF C=C1CCC[C@@H]2[C@@](C)(CC[C@@]3(C)CC[C@H]([C@H](C)C(=O)OC)OO3)[C@H](C)CC[C@@]12C 96911636 XZMSFDWECPXXRJ-KYABTRMWSA-N 406.607 6.244 50 1 HKGF O=C1C[C@](CCl)(c2sccc2Br)Oc2c1ccc1c2CCCC1 587533522 WQXGHNFONVBNLG-SFHVURJKSA-N 411.748 5.489 50 1 HKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc3nc(CCl)oc23)N1 587683324 GNPRJTRRXKUCMA-APBUJDDRSA-N 423.713 5.266 50 1 HKGF O=P(NCc1cccnc1-c1cccc(Cl)c1)(c1ccccc1)c1ccccc1 95593527 GDJSEBTWXQHFRV-UHFFFAOYSA-N 418.864 5.421 50 1 HKGF O=C1C[C@](CBr)(C2(c3ccccc3)CC2)Oc2c1ccc1c2CCCC1 587496862 AEFHTTQLYQEZFO-QHCPKHFHSA-N 411.339 5.396 50 1 HKGF COC(=O)C(C)(C)c1ccc(-c2[nH]c3c(C)cc(Cl)cc3c2CCCl)cc1 587623993 VLOSWEPVLRTWEM-UHFFFAOYSA-N 404.337 6.029 50 1 HKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(Cl)s2)N1 587850143 XLMBQLVLBPQHKG-AYVTZFPOSA-N 409.151 5.320 50 1 HKGF C=C1CC[C@H]2C(C)(C)[C@@H](Br)CC[C@]2(C)[C@H]1Cc1cc(O)c(C=O)cc1O 14650415 KYHAUNCXNLJHDG-RAWXMELESA-N 421.375 5.625 50 1 HKGF Cc1ccc(C2OOC(c3ccc(CNc4cccc5ccccc45)cc3)OO2)cc1 72171059 IASSBEVTYDSUMF-UHFFFAOYSA-N 413.473 6.368 50 1 HKGF C[C@]1(c2ccc(CCCl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587329993 ZGBHXOVHOUKQKT-LADGPHEKSA-N 410.872 5.587 50 1 HKGF COc1ccc(-n2c(C)cc([C@]3(CCl)CC(=O)c4cc(C)cc(N)c4O3)c2C)cc1 587372477 LUKARVAYLDIKBY-XMMPIXPASA-N 424.928 5.093 50 1 HKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(C(Cl)Cl)N1 587688352 LSJWNEMNQWHYQZ-DYZYQPBXSA-N 403.122 5.170 50 1 HKGF O=Cc1ccc(OCCCCCCCCCCCCCCBr)cc1O 1857766990 PIGAKWKZHHLFDS-UHFFFAOYSA-N 413.396 6.660 50 1 HKGF CC[C@@H](C)C=C[C@@H](C)[C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]23C=C[C@@]2(C[C@@H](O)CC[C@]12C)OO3 2356684458 RMCNEIUNJZPGIG-MPWPKJNFSA-N 414.630 6.228 50 1 HKGF CC1(C)C(Br)=C[C@H](Br)[C@@]2(C)O[C@@H]3C[C@@]12CC[C@]3(C)Cl 2356823359 GLXCOLJSTQUWKV-RDCQKDKRSA-N 412.593 5.394 50 1 HKGF C[C@@H](/C=C/c1ccccc1)C/C=C/[C@H](C)C[C@@H](C)C[C@@]1(C)C[C@@](C)(CC(=O)O)OO1 238782587 RNPUPYFEZWXDFS-WRVKFOMZSA-N 414.586 6.679 50 1 HKGF Cc1cc2c(cc1C)C(Cl)=C(/C=N/NC(=O)c1cccc(C(F)(F)F)c1)CCC2 299822205 HQYQMNLGMDCDGS-KKMKTNMSSA-N 420.862 6.024 50 1 HKGF O=C1c2ccc(O)cc2O[C@@](CCCl)(c2ccccc2F)[C@@H]1c1ccc(F)cc1 587338650 XYRAVNOLQTWCHU-GGAORHGYSA-N 414.835 5.554 50 1 HKGF CC(C)(C)c1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587543859 LXQVJJUQNPSWKU-OFVILXPXSA-N 422.908 5.786 50 1 HKGF COC(=O)[C@H](C)[C@@H]1CC[C@](C)(CC[C@]2(C)[C@H](C)CC[C@]3(C)[C@@H](C)CCC[C@@]32O)OO1 2356807398 WIFGSAPFSACDQM-KOVIZMBYSA-N 424.622 5.439 50 1 HKGF O=C1C[C@](CCl)(c2c[nH]c3nccc(Cl)c23)Oc2c1ccc1c2CCCC1 587495925 AWPGPVGNWRUQDM-NRFANRHFSA-N 401.293 5.195 50 1 HKGF C#CCCCCCCCC=CC#CCCC[C@]1(OC)CC[C@@H](CC(=O)OC)OO1 2356666854 FWBUUZZBAIZTSB-LADGPHEKSA-N 404.547 5.097 50 1 HKGF C=C(c1ccc2ccccc2c1)[C@H]1COC2(CCC(=C(C)C(=O)OCC)CC2)OO1 43523943 CJCCLDDOQRWWSG-XQZUBTRRSA-N 408.494 5.350 50 1 HKGF CCCCCCCCCCCCCCCC(=O)N/N=C/c1cccc(SC)c1 103170741 BPCBYVYCKPRUPI-NJNXFGOHSA-N 404.664 7.340 50 1 HKGF Cc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)c1 587327341 PICGNCUBTMGHIN-VWNXMTODSA-N 410.872 5.641 50 1 HKGF N#CSC[C@@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587608205 QATPBCYGWOQHOE-KNQAVFIVSA-N 423.877 5.117 50 1 HKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCCC[C@H]2Br)N1 587684417 QOLAWBISWFOZMK-UHNFBRDESA-N 405.149 5.045 50 1 HKGF CCCCc1ccc2[nH]c(-c3ccc(CC)cc3)c(/C=N/NC(=O)c3cccnc3)c2c1 40939502 UJQZHTNHUQKZHN-RDRPBHBLSA-N 424.548 5.899 50 1 HKGF C[C@H](c1ccc(CBr)cc1)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 586973346 IDKVMLJJXVVPLF-OAHLLOKOSA-N 419.322 5.841 50 1 HKGF C[C@H](Cl)[C@]1(Cc2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587324602 RQPYVJKSKXOKRW-AMOXOZGRSA-N 410.872 5.499 50 1 HKGF COc1ccc([C@@]2(CCCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587684791 MNZUUDHKSNLOAT-HXPMCKFVSA-N 412.730 5.004 50 1 HKGF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@]2(CCCCCCCl)c1ccccc1F 963108206 KWOKXMDIOITGLL-RDPSFJRHSA-N 403.944 6.418 50 1 HKGF O=C(N/N=C/C1CCCCC1)c1cc2c([nH]c3ccccc32)c(-c2ccc(O)cc2)n1 73162414 XGOLEFAJGYYGKA-CVKSISIWSA-N 412.493 5.385 50 1 HKGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1C1CC1 587545717 SGKFKTBTRJSMKC-XUZZJYLKSA-N 423.896 5.241 50 1 HKGF Cc1cc(C)c(N=C=S)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 587897244 YCFMZVKVRSKXEI-UHFFFAOYSA-N 403.334 5.055 50 1 HKGF CC(C)=C1CC[C@@H]2C(=CC[C@@H]3[C@@](C)(C(=O)Oc4ccc([N+](=O)[O-])cc4)CCC[C@]23C)C1 2356843243 DCAYWUICMGOWKB-RYJQUDHMSA-N 423.553 6.780 50 1 HKGF COC(=O)[C@@H](C)[C@@H]1CC[C@](C)(CCC2=C(C)C(=O)C[C@H]3C(C)(C)CCC[C@]23C)OO1 42920157 PDWDODCLXVJGRQ-DAVJFCAASA-N 420.590 5.567 50 1 HKGF C[C@]1(c2ccc(Cl)cc2)CC(c2ccc(Cl)cc2)=C(C#N)C(=C(C#N)C#N)N1 73410612 RNXGXBOKBXDQKY-JOCHJYFZSA-N 405.288 5.481 50 1 HKGF C[C@@H](c1ccc(CBr)cc1)c1nc2c3ccccc3c3ccccc3c2[nH]1 586973765 ODIQPOQWWSUNIR-HNNXBMFYSA-N 415.334 6.916 50 1 HKGF O=C(Nc1cccnc1)c1ccccc1OCc1ccccc1OCCCCCl 1857567560 KHBZFUWUTYHGBO-UHFFFAOYSA-N 410.901 5.311 50 1 HKGF C[C@]1(CCCCCCCCC=CC=Cc2ccccc2)C[C@@]2(C)OC(=O)C[C@H]2OO1 2356605542 KEKDEOVVWKTZKA-DMTNHVFBSA-N 412.570 6.562 50 1 HKGF Cc1ccc(/C=C(\C#N)c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc1 587189029 ZJZQCKYWZSOSAM-WUXMJOGZSA-N 406.205 5.717 50 1 HKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(C2CCCCC2)N1 587674605 YBHBLLUOSDUKLZ-APPDUMDISA-N 419.176 5.293 50 1 HKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)c(F)c2)([C@@H](C)Cl)N1 587724734 LUEFJMGNYZQZSB-CLFVBBPSSA-N 418.684 5.272 50 1 HKGF C[C@@H](CCC[C@H](C)CCCCc1ccccc1)C[C@@]1(C)C[C@@](C)(CC(=O)O)OO1 2356587820 YVFXEWAKTKCCQQ-HWIPXOPOSA-N 404.591 6.576 50 1 HKGF CC1(C)[C@]2(C(=O)Nc3c(Cl)cccc3Cl)CC[C@@]1(C)C(=O)[C@@H]2Br 13133265 FHNPPLVMNBLNFV-AFAVFJNCSA-N 419.146 5.091 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(Cl)cc1Cl)O2 587375245 RWMHETFDXAFCQF-QGZVFWFLSA-N 415.114 5.140 50 1 HKGF Cc1cccc2[nH]cc([C@@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)c12 587683975 IQTXUCVWRXRBHW-YUNKPMOVSA-N 421.741 5.395 50 1 HKGF CC(C)=CC(=O)OC[C@]12CC[C@H](C)[C@](C)(CC[C@H](C)CC(=O)O)[C@H]1CCC=C2C=O 14928618 QCBBYPFNMFFJJJ-FTMJALTASA-N 418.574 5.345 50 1 HKGF biogenic CC1=C[C@H]2C[C@@]3(C)O[C@H]([C@]4(C)CC[C@H]([C@@H](C)C(=O)O)OO4)C[C@@H]3C(C)(C)[C@H]2CC1 73386387 HVANTBKYRQAYSD-NSJANFJXSA-N 406.563 5.143 50 1 HKGF COc1ccc2c(c1)CC[C@](N)(c1nc3ccc(S(F)(F)(F)(F)F)cc3[nH]1)C2 587246295 FXPBKBSYACTPKJ-GOSISDBHSA-N 419.419 5.572 50 1 HKGF Nc1ncc(-c2cccc(-c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)c2)cn1 587254084 GEELIHQHINDTIP-UHFFFAOYSA-N 413.375 5.927 50 1 HKGF O=C1C[C@](CBr)(c2ccc(F)cc2F)Oc2c1ccc1c2CCCC1 587509074 WWKHHDXSVISGNF-FQEVSTJZSA-N 407.254 5.099 50 1 HKGF C[C@@H](Br)[C@]1(c2ccc(F)cc2)NCCc2cc(-c3ccccc3)ccc21 962662864 CTHQLNUCRGGXAE-WAIKUNEKSA-N 410.330 5.665 50 1 HKGF CO[C@@]12OOC3(C=C1C[C@@H]1C=C[C@H]2C1)CCN(c1ccnc2cc(Cl)ccc12)CC3 1857643098 JFVUZGAPPYHCHC-KCYKTTMJSA-N 424.928 5.054 50 1 HKGF C[C@@H]1CC[C@H]2[C@@](C)(/C=C/c3ccc(C(F)(F)F)cc3)O[C@@H]3O[C@]4(C)CC[C@H]1[C@@]23OO4 103190904 DPYQRVJHLHNPAI-QJUGIDBESA-N 424.459 5.723 50 1 HKGF [C-]#[N+]C1=C(c2ccc(F)cc2)NC(C(F)(F)F)=C(C#N)[C@@H]1c1ccc2[nH]nc(C)c2c1 261148436 OKFUXVNIVHNPMD-SFHVURJKSA-N 423.373 5.325 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(C(C)C)cc1)([C@H](C)Br)O2 587370857 CKZZTMLWERAVHU-LHSJRXKWSA-N 402.332 5.345 50 1 HKGF Cc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 587379321 XXWXCXDNWAGEGP-PZJWPPBQSA-N 402.874 5.394 50 1 HKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(C1CC1)[C@H](Cl)c1ccccc1F 587566664 AIYGMWSVSCZMRH-TUACAJSNSA-N 424.855 5.622 50 1 HKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCCCl)(c2ccc(O)cc2)N1 587686384 USBPJCOJJFBZNW-CWTRNNRKSA-N 412.730 5.091 50 1 HKGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](CCCCCl)(c2ccc([N+](=O)[O-])cc2)N1 962948002 CXQYEPDJFUMRJO-UZUQRXQVSA-N 411.933 5.653 50 1 HKGF COc1cc(OC)c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1CCl 587496121 BPADUUGJTXIITB-QHCPKHFHSA-N 400.902 5.202 50 1 HKGF C[C@@H](Br)[C@@]1(c2ccc(F)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587509586 ZWELJJSLZRWDBH-XUSGNXJCSA-N 421.281 5.488 50 1 HKGF Cc1cc(C)c([C@]2([C@@H](C)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C 587687115 FLSBOCPNOCGMEV-PZPWOCDFSA-N 424.785 5.919 50 1 HKGF CC(C=CC=O)=CC=CC=C(C)C=CC=C(C)C(=O)C[C@]12O[C@@]1(C)C[C@H](O)CC2(C)C 2356568212 HQQUWEPSOVTLND-DURWQBQJSA-N 424.581 5.361 50 1 HKGF CC[C@H](Cl)CC[C@H](Cl)[C@H](Cl)C[C@H](Cl)[C@H](Cl)[C@H](Cl)CCl 95803267 HPSUPGAVFFFPMQ-ZXZMWMBJSA-N 411.455 6.450 50 1 HKGF Cc1ccc(/C=C(\C#N)c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc1 587187617 JMJYQSHPLODOBJ-XYOKQWHBSA-N 406.205 5.717 50 1 HKGF CCc1ccc([C@]2([C@H](C)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587686299 CEHNVVRULQANMN-UVARLRKDSA-N 410.758 5.556 50 1 HKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(c1)[C@H](Cl)CCC2 587885016 WWQRIMOIPLENLB-LJQANCHMSA-N 406.740 5.320 50 1 HKGF N#C/C(C(=O)Nc1ccc(Cl)cc1Cl)=C(/O)c1ccc(C(F)(F)F)cc1 34493733 WSCWYIXLFGAOIM-QINSGFPZSA-N 401.171 5.444 50 1 HKGF CCCCc1ccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2Cl)C(C)(C)C)cc1 103197583 WVTHKGZASIXDOJ-UHFFFAOYSA-N 414.977 5.885 50 1 HKGF O=C1C[C@@](CCl)(c2ccc(-c3ccccc3)cc2)Oc2c1ccc1c2CCCC1 587498367 NLLADCKITPIZPL-AREMUKBSSA-N 402.921 6.332 50 1 HKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ccc2c(c1)CCCC2 587543623 LDKYTSWBQBDFCA-WIOPSUGQSA-N 420.892 5.367 50 1 HKGF C=CCn1c(C)cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587544596 OOLWWWGXEWJNLH-QPPBQGQZSA-N 423.896 5.092 50 1 HKGF Fc1cc(Br)ccc1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587143138 XRFJUVNIQRRUIL-UHFFFAOYSA-N 417.172 6.789 50 1 HKGF N[C@@H](Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)c1cccc2ccccc12 587258212 AUXVFNUHHGWJAM-INIZCTEOSA-N 413.415 6.616 50 1 HKGF CC1(C)[C@H](C(Cl)Cl)[C@@]2(Cl)[C@H](Cl)[C@@H](Cl)[C@@]1(Cl)C2(Cl)Cl 253951181 HRBUJQUHXGOSQW-BPVCISNBSA-N 413.814 5.804 50 1 HKGF CC(C)C/C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@]34C=C[C@]5(C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@]12C)OO4 255276031 WISOACODKWCRQK-DAVZTPMCSA-N 414.630 6.228 50 1 HKGF Cc1nc2[nH]c([C@@H](C)c3ccc(CBr)cc3)nc2cc1Br 586974142 RFQRVADHHPBRMM-VIFPVBQESA-N 409.125 5.076 50 1 HKGF C[C@@H](Br)[C@]1(c2ccc(F)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587509572 ZWELJJSLZRWDBH-GTJPDFRWSA-N 421.281 5.488 50 1 HKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(Cl)cc2)N1 587686379 URKLKDBOCHGTQQ-BTDLBPIBSA-N 403.122 5.258 50 1 HKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCCl)(c2ccc(F)cc2)N1 587727695 CBVDEBOFNODVQH-BBATYDOGSA-N 400.694 5.134 50 1 HKGF O=C(O)C[C@@H]1CC[C@@H]([C@@H]2CC[C@@H](CCCCCC[C@@H]3C=C/C=C/C=CC3)O2)OO1 169328004 DIHXQPVNIPQBLK-KTEJSJJWSA-N 404.547 5.517 50 1 HKGF Cc1cc(F)c([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1F 587556908 KWSJWSLLTBNQAY-DENIHFKCSA-N 416.807 5.075 50 1 HKGF CCCN1[C@@H](C)Cc2ccccc2[C@]1(CCl)c1cc(C)n(-c2ccc(F)cc2)c1C 963222765 CTQCOTRFLKNDPS-HFJWLAOPSA-N 424.991 6.372 50 1 HKGF C=C(C[C@H](C)C1=CCC[C@@H]2CCC3=CC(=O)CC[C@]3(C)[C@@H]2CC[C@]1(C)OO)C(C)C 2356802564 SKEROCLLSJUTTC-DSMWFJFISA-N 414.630 7.295 50 1 HKGF CC(C)=CCC/C(C)=C/CCC1=CC=C(C=O)[C@@](C)(CC/C=C(\C)CCC=C(C)C)C1 35077272 MSEURLSKNWUZIQ-GZJNZFGFSA-N 422.697 9.394 50 1 HKGF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@@H](Br)CC)CC2=O 587454551 YNNWPUSFNFBPOP-FPOVZHCZSA-N 403.316 5.379 50 1 HKGF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCCCCl)c(OC)c1)CC2=O 587459817 ILBBPJGOQPJSHS-HXUWFJFHSA-N 404.890 5.068 50 1 HKGF CC1(C)C(Br)=C[C@H](Br)[C@]2(C)O[C@@H]3C[C@@]12CC[C@]3(C)Cl 2356823356 GLXCOLJSTQUWKV-HZZBMVKVSA-N 412.593 5.394 50 1 HKGF CC(=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=O)/C=C/[C@]12O[C@@]1(C)C[C@@H](O)CC2(C)C 59211679 QZOYIQGWDBXSHB-UHNAONBJSA-N 408.582 5.958 50 1 HKGF in-vitro COc1cccc(-c2cc(-c3cccc(/C=C\C=O)c3F)nc3c2oc2ccccc23)c1 587358735 BBSJLQCXNWLNHG-TWGQIWQCSA-N 423.443 6.675 50 1 HKGF Cc1cc(C)c(C)c([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587688269 KOHGHVPXJBYMGF-ASSNKEHSSA-N 424.785 5.838 50 1 HKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1c(C)cc(C)c(C(=O)CCl)c1C)O2 587371951 IMGWAMXSNVSDJI-JOCHJYFZSA-N 420.336 5.023 50 1 HKGF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccc(N=C=S)cc1)CC2=O 587494920 ZDYJVQPPXQHDHC-RUZDIDTESA-N 415.514 5.988 50 1 HKGF O=C(O)C[C@@H]1CC[C@H]([C@@H]2CC[C@H](CCCCCC[C@H]3C=CC=CC=CC3)O2)OO1 2356449173 DIHXQPVNIPQBLK-XZCBWCRCSA-N 404.547 5.517 50 1 HKGF CC(=CC=C[C@H](C)CCC[C@H](C)CC(=O)[C@H](O)[C@H](C)Cl)CCCc1ccoc1 2356593908 BCXQDRHCGIEATA-SODVOOIJSA-N 409.010 6.495 50 1 HKGF C=C1CC[C@H](OO)CC1=CC=C1CCC[C@]2(C)[C@@H]1CC[C@@H]2[C@@H](C)C=C[C@H](C)C(C)C 2356746111 UZDFTFHQIQFFDP-NMGAOUJYSA-N 412.658 8.138 50 1 HKGF COC[C@@H](CO)N(C)C(=O)CCC=CCCCC[C@H](Cl)CCCCCCCl 2356825757 HFTYBOHUADLAJY-VQTJNVASSA-N 424.453 5.146 50 1 HKGF C=CCN(CC=C)NC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 28641945 KCEPHOANTXSLKC-UHFFFAOYSA-N 401.554 5.021 50 1 HKGF CC1=C(CC[C@]2(C)O[C@@H]2CC[C@]2(C)CC[C@@H]([C@@H](C)C(=O)O)OO2)C(C)(C)CCC1 238784258 QVVWUQNRKZFZHV-RJXGULHRSA-N 408.579 5.821 50 1 HKGF Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1Cc1ccco1 587496162 BRDBFRURJVOASZ-VWLOTQADSA-N 423.940 5.725 50 1 HKGF O=C1C[C@](CCl)(Cc2ccccc2Br)Oc2c1ccc1c2CCCC1 587506342 XEFAYOFATRIAJK-NRFANRHFSA-N 419.746 5.513 50 1 HKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ccc2c(c1)CCCC2 587543621 LDKYTSWBQBDFCA-RDGATRHJSA-N 420.892 5.367 50 1 HKGF