smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC(C)(C)[Si](OCCCC(=O)C[C@H](O)[C@H](Cl)CCCOCc1ccccc1)(c1ccccc1)c1ccccc1 585164686 GJLOKZLMZDMLCD-ZWXJPIIXSA-N 567.242 6.268 50 20 KKGD CCCCCCCCCCCCOc1cc(C(=O)NN)c(OCCCCCCCCCCCC)cc1C(=O)NN 220587190 JTTVHOBHCQRSCT-UHFFFAOYSA-N 562.840 7.493 50 20 KKGD c1ccc(P(c2ccccc2)c2ccc3cc2-c2cc(ccc2P(c2ccccc2)c2ccccc2)OCCCCCCCO3)cc1 1848350038 BYQRJXIQKRWCLV-UHFFFAOYSA-N 650.739 8.592 50 20 KKGD C#CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](OCCCO[Si](C)(C)C(C)(C)C)[C@@H](C=C)O[Si](C)(C)C(C)(C)C 195954932 OJXOCHUHYYCJPV-CYXNTTPDSA-N 557.053 8.774 50 20 KKGD c1ccc([C@H]2N=C(c3ccccc3P(c3ccccc3)c3ccccc3)OC2(c2ccccc2)c2ccccc2)cc1 1988182117 RHCBFDRCHRRPAJ-DIPNUNPCSA-N 559.649 7.907 50 20 KKGD c1ccc(P(c2ccccc2)c2ccccc2P(c2ccccc2P(c2ccccc2)c2ccccc2)c2ccccc2P(c2ccccc2)c2ccccc2)cc1 196144979 RXLPLNLIQIQVDH-UHFFFAOYSA-N 814.826 8.719 50 20 KKGD CC(C)(C)[C@@H]1COC(c2cc(-c3c(P(c4ccccc4)c4ccccc4)ccc4ccccc34)c3ccccc3c2)=N1 1988188047 NQFKYFGWPWOCKQ-BHVANESWSA-N 563.681 8.610 50 20 KKGD Cc1cc(C)cc(Pc2ccc3c(c2-c2c(Pc4cc(C)cc(C)c4)ccc4c2CCCC4)CCCC3)c1 2048541408 OTMFXODLYZFAMZ-UHFFFAOYSA-N 534.664 7.603 50 20 KKGD O=C(OC[C@H]1O[C@H](I)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 150338780 OBAQAMMNGFXDKS-RLXMVLCYSA-N 706.485 5.680 50 20 KKGD CCCCN(CCCC)c1ccc(/C=C/c2ccc(/C=C/C3=C(C#N)C(=C(C#N)C#N)O[C@@]3(c3ccccc3)C(F)(F)F)s2)c(OCc2ccccc2)c1 166014096 SXFGKYGUYHUANQ-ZYIUPOGDSA-N 744.883 11.527 50 20 KKGD O=C(N[C@H]1CCCC[C@H]1NC(=O)c1c(P(c2ccccc2)c2ccccc2)ccc2ccccc12)c1c(P(c2ccccc2)c2ccccc2)ccc2ccccc12 169724431 VXFKMKXTPXVEMU-QWKHHPMFSA-N 790.884 8.980 50 20 KKGD CC(C)C(=O)Nc1nc(O)c2ncn([C@@H]3S[C@@H]4CO[Si](C(C)(C)C)(C(C)(C)C)O[C@@H]4[C@H]3O[Si](C)(C)C(C)(C)C)c2n1 725326902 FENQMWUCQWLUQM-SSYAZSBWSA-N 623.969 6.589 50 20 KKGD N#CCCn1cc(/C=C(\C#N)C(=O)N2CCC(OCc3ccccc3)CC2)c(-c2ccc(Cl)cc2)n1 843742464 KBXJTXMMLZDCPY-HAVVHWLPSA-N 500.002 5.232 50 20 KKGD Cc1ccc(P(c2ccc(C)cc2)c2cccc3c2C[C@@]2(CCc4cccc(P(c5ccc(C)cc5)c5ccc(C)cc5)c42)C3)cc1 520795401 UCMZDMCPKGURJP-WBVITSLISA-N 644.779 8.419 50 20 KKGD CC1(C)C(=CC=CC=CC=CC2=[N+](CCCCCC(=O)NN)c3ccc4ccccc4c3C2(C)C)N(CCCCS(=O)(=O)O)c2ccc3ccccc3c21 1857791581 UYWICMKNTFOBNW-UHFFFAOYSA-O 746.010 8.938 50 20 KKGD O=P(c1ccccc1)(c1ccccc1)c1cccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21 2332240896 RVLMXDFBFTZCQI-UHFFFAOYSA-N 516.580 7.670 50 20 KKGD C[C@H](C[C@@H](C)P(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1)P(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1 2332240991 OFKWZPMBNSRJQS-NHCUHLMSSA-N 712.495 10.495 50 20 KKGD Cc1ncsc1-c1ccc(CN2C[C@H](O)C[C@H]2C(=O)NC(=O)[C@@H](NC(=O)CCCCCOCCOCCOCCCCCCCl)C(C)(C)C)cc1 2114268540 BFDDWBXWCPLVCT-MEEYNGGZSA-N 751.431 5.637 50 20 KKGD CC(C)(C)[Si](C)(C)Oc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)OCCBr)cc1O[Si](C)(C)C(C)(C)C 1905995130 VXMVZSFSTBWPRB-VWLOTQADSA-N 666.802 8.230 50 20 KKGD N#C/C(=C\c1cnn(-c2cccc(C(F)(F)F)c2)c1Cl)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 2088602902 HFMLTQGVPBIJAP-IZZDOVSWSA-N 519.232 6.762 50 20 KKGD CC(C)(C)[C@@H](CP(c1ccccc1)c1ccccc1)NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 2048541347 NNEYFISCDMOQKY-HSZRJFAPSA-N 525.473 7.002 50 20 KKGD Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1/C=C(\C#N)C(=O)Nc1cccc(C2(C(F)(F)F)N=N2)c1 2088598805 CCBNCRTWQSXFRL-MDWZMJQESA-N 538.839 6.580 50 20 KKGD C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)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 256392866 SPHUIJWPZSWHEE-MDYSRSBDSA-N 510.923 10.671 50 20 KKGD Cn1c2ccc(P(=O)(c3ccccc3)c3ccccc3)cc2c2cc(P(=O)(c3ccccc3)c3ccccc3)ccc21 203068510 CLPSJILIBPFRFP-UHFFFAOYSA-N 581.592 6.610 50 20 KKGD CC(C)C[Si@]1(O)O[Si@]2(CC(C)C)O[Si@@]3(CC(C)C)O[Si@](CC(C)C)(O1)O[Si@@]1(CC(C)C)O[Si@@](O)(CC(C)C)O[Si@](CC(C)C)(O2)O[Si@@](CC(C)C)(O3)O1 2332241040 ZJILJEYGMBWQKZ-UWUITYLZSA-N 891.619 7.967 50 20 KKGD COCOc1ccc(C(=O)Nc2ccc3nc(C(=O)N4C[C@@H](CCl)c5c4cc(O)c4cccc(C)c54)cn3c2)cc1 221915155 QOQUVRIVMFOCQT-HXUWFJFHSA-N 571.033 5.719 50 20 KKGD c1ccc(P(c2ccccc2)c2ccc3cc2-c2cc(ccc2P(c2ccccc2)c2ccccc2)OCCCCCCCCO3)cc1 1848350056 MRKUSOYPWSXNLS-UHFFFAOYSA-N 664.766 8.982 50 20 KKGD CC(C)Oc1ccc(P(c2ccc(OC(C)C)cc2)[C@H](C)C[C@@H](C)P(c2ccc(OC(C)C)cc2)c2ccc(OC(C)C)cc2)cc1 2332241044 ZUXOMDNTUJUOIE-CZNDPXEESA-N 672.827 9.568 50 20 KKGD c1ccc([C@@H]2N=C(c3ccccc3P(c3ccccc3)c3ccccc3)OC2(c2ccccc2)c2ccccc2)cc1 1988182118 RHCBFDRCHRRPAJ-QNGWXLTQSA-N 559.649 7.907 50 20 KKGD Cc1cc(C)cc(P(c2cc(C)cc(C)c2)[C@@H](C)[C@H]2CCC[C@@H]2P(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)c1 2048541383 UQSALUDEWWBALF-RVPZZOBJSA-N 578.761 9.277 50 20 KKGD FC(F)Oc1ccc(COC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1CBr 585164025 NEZRXFAZKCHKCZ-UHFFFAOYSA-N 509.390 7.692 50 20 KKGD CC(C)(C)OC(=O)N1C(c2nccs2)=NC(CBr)=C(Br)[C@@H]1c1ccc(F)cc1Cl 1857792632 DDXLYRZAHNXCJZ-HNNXBMFYSA-N 565.690 6.676 50 20 KKGD CC(C)(C)[C@H]1COC(c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)=N1 137028198 VKFBIHDRGMDGJS-PGUFJCEWSA-N 563.681 8.610 50 20 KKGD CC1(C)c2cc(P(c3ccccc3)c3ccccc3)ccc2-c2ccc(P(c3ccccc3)c3ccccc3)cc21 215501782 KBPAFZWLCNHYPH-UHFFFAOYSA-N 562.633 7.509 50 20 KKGD CC(C)(C)c1cc(P(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2cccc3c2[C@@]2(CCc4cccc(NCc5ccccn5)c42)CC3)cc(C(C)(C)C)c1 642772134 NVZSJGBGNHNBSQ-XHIZWQFQSA-N 735.053 11.820 50 20 KKGD CC(C)[Si](Oc1cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)cc(B2OC(C)(C)C(C)(C)O2)c1)(C(C)C)C(C)C 2048528959 RTCURXKLNYHOOX-DEOSSOPVSA-N 563.617 6.061 50 20 KKGD Cc1cc(-c2cc(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)ccc2Cl)cc2nnc(Cl)nc12 169991769 BXSGQJDAMIIRAR-UHFFFAOYSA-N 544.558 7.246 50 20 KKGD Cc1ccc(P(c2ccc(C)cc2)c2ccc3ccccc3c2-c2c(N(C)C)ccc3ccccc23)cc1 642813976 IXWSSHOSYSEGFW-UHFFFAOYSA-N 509.633 8.101 50 20 KKGD BrCCCOc1ccc(C(=C(c2ccc(OCCCBr)cc2)c2ccc(OCCCBr)cc2)c2ccc(OCCCBr)cc2)cc1 2113930086 NJKQFOZRSXBDJH-UHFFFAOYSA-N 880.350 11.349 50 20 KKGD CC(C)(C)[C@@H]1COC(c2ccccc2P(c2ccccc2)c2ccccc2C2=N[C@H](C(C)(C)C)CO2)=N1 136229853 BXNPGTKDUBOISS-NSOVKSMOSA-N 512.634 5.828 50 20 KKGD CC(C)(C)[Si](C)(C)Oc1ccc(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)OCCBr)cc1O[Si](C)(C)C(C)(C)C 2049614525 HFCCVXLAFFAPPQ-YTTGMZPUSA-N 754.911 9.843 50 20 KKGD CCCCCCCCSSCCOC(=O)CCN(CCC(=O)OCCSSCCCCCCCC)CCc1c[nH]c2ccccc12 1857524062 CUQWZMJHMHGHEV-UHFFFAOYSA-N 713.154 10.363 50 20 KKGD FC(F)(F)c1ccc(P(c2ccc(C(F)(F)F)cc2)c2ccc3c(c2-c2c(P(c4ccc(C(F)(F)F)cc4)c4ccc(C(F)(F)F)cc4)ccc4c2OCCO4)OCCO3)cc1 1988187879 UPYPEWMJLSEJPP-UHFFFAOYSA-N 910.628 10.488 50 20 KKGD CC(C)(C)[Si](C)(C)O[C@@H](CC[C@@H](C(=O)N1C(=O)OC[C@@H]1c1ccccc1)[C@H](Nc1ccc(F)cc1)c1ccc(O)cc1)c1ccc(F)cc1 2048529483 ZTLPJWZDLKIQJU-PEDCNLCOSA-N 686.872 9.703 50 20 KKGD CC(C)(C)c1cc(P(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2cccc3c2[C@]2(CCc4cccc(C5=NCCO5)c42)CC3)cc(C(C)(C)C)c1 198039630 FMGYAZLRTVWJGN-QSCHNALKSA-N 697.988 10.590 50 20 KKGD COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 196556764 CBAUNERZXFKXOR-QSYCCZFCSA-N 683.882 6.083 50 20 KKGD CC1(C)CO[C@H]([C@H](O[Si](C)(C)C)[P@](=O)(c2ccccc2)[C@@H](O[Si](C)(C)C)[C@@H]2COC(C)(C)O2)O1 407987086 YWLMONLNWMCIIO-AXXKIBRXSA-N 530.747 5.333 50 20 KKGD c1ccc(C[C@H]2COC(c3cc(-c4c(P(c5ccccc5)c5ccccc5)ccc5ccccc45)c4ccccc4c3)=N2)cc1 1988187956 AOBLDEOHLOVEKT-UMSFTDKQSA-N 597.698 8.806 50 20 KKGD N#CCCn1cc(/C=C(\C#N)C(=O)NCc2ccccc2OC2CCCC2)c(-c2ccc(Cl)cc2)n1 916506985 NHIIWUGRUJIFRL-CJLVFECKSA-N 500.002 5.662 50 20 KKGD c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2cc(C3=N[C@@H]4c5ccccc5C[C@@H]4O3)cc3ccccc23)cc1 1988188044 MXALZWUTXAIBGW-ZSFNYQMMSA-N 595.682 8.861 50 20 KKGD O=C(OCCCCSSCCCCOC(=O)Oc1ccc([N+](=O)[O-])cc1)Oc1ccc([N+](=O)[O-])cc1 1887561592 YLOMNDGFMRYDTA-UHFFFAOYSA-N 540.572 6.176 50 20 KKGD N#CCCn1cc(/C=C(\C#N)C(=O)N2CCC(COc3ccccc3)CC2)c(-c2ccc(Cl)cc2)n1 729431328 LPGADERKERLKIJ-HAVVHWLPSA-N 500.002 5.342 50 20 KKGD COc1cc([C@@H](O[Si](C)(C)C(C)(C)C)[C@H](COS(C)(=O)=O)CC2Cc3ccccc3C2)cc(OC)c1C 219013794 ZHYSDDPIHRHKCK-LBNVMWSVSA-N 548.818 6.473 50 20 KKGD COc1c(C(C)(C)C)cc(Pc2ccc3ccccc3c2-c2c(Pc3cc(C(C)(C)C)c(OC)c(C(C)(C)C)c3)ccc3ccccc23)cc1C(C)(C)C 2048541392 CGJUQWYMHVLIHY-UHFFFAOYSA-N 754.976 12.126 50 20 KKGD CC(C)(C)[Si](C)(C)Oc1ccc(C[C@@H](NC(=O)OCc2ccccc2)C(=O)OCCBr)cc1O[Si](C)(C)C(C)(C)C 1905995129 VXMVZSFSTBWPRB-RUZDIDTESA-N 666.802 8.230 50 20 KKGD O=P(c1ccccc1)(c1ccc2ccc3cccc4ccc1c2c34)c1ccc2ccc3cccc4ccc1c2c34 118779361 WMZCREDANYEXRT-UHFFFAOYSA-N 526.575 9.121 50 20 KKGD COc1ccc(C(=O)O[C@H]2CS[C@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C2)c(OC)c1 725327049 VMDWVSPBIUDPCL-RPWUZVMVSA-N 536.766 5.311 50 20 KKGD CO[C@@H]1[C@@H](CS(=O)(=O)c2ccccc2)[C@H](CC=O)O[C@@H]1C[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C 201108559 LHMXTZSRSFQTQK-JFZJWBCSSA-N 600.967 6.250 50 20 KKGD in-vitro C1=CC2=CC=C(c3cccc4ccccc34)N(p3oc4ccc5ccccc5c4c4c(ccc5ccccc54)o3)[C@H]2C(P(c2ccccc2)c2ccccc2)=C1 642813633 AMYLQJFBASWRGG-NLXJDERGSA-N 755.794 13.624 50 20 KKGD C=CC(=O)N(c1ccc(S(F)(F)(F)(F)F)cc1)[C@@H](C(=O)Nc1ccc(OC)cc1C)c1cccnc1 1887511963 AIKFNDSDLNXYFQ-HSZRJFAPSA-N 527.515 6.955 50 20 KKGD Cc1ccc(P(c2ccc(C)cc2)c2ccc3c(c2-c2c(N(C)C)ccc4c2CCCC4)CCCC3)cc1 642813916 FSXGELMBSPMZOX-UHFFFAOYSA-N 517.697 7.552 50 20 KKGD CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)C(=O)CCC(=O)NCCC[Si](OCC)(OCC)OCC 169989982 HPKGUGSMXROUCC-UHFFFAOYSA-N 769.326 13.113 50 20 KKGD Cc1cc(-c2cc(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)ccc2Cl)cc2nnc(N)nc12 169991766 KDAYXRMGARPHCY-UHFFFAOYSA-N 525.128 6.175 50 20 KKGD Cc1cc(C)cc(P(c2cc(C)cc(C)c2)[C@@H](C)[C@@H]2CCC[C@@H]2P(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)c1 2048541384 UQSALUDEWWBALF-UEQQSRGXSA-N 578.761 9.277 50 20 KKGD C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)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 1083802385 SPHUIJWPZSWHEE-INCRQZSMSA-N 510.923 10.671 50 20 KKGD c1ccc(P(c2ccccc2)c2cc3c(cc2-c2cc4c(cc2P(c2ccccc2)c2ccccc2)COC4)COC3)cc1 105467767 ACRXDELLSSHMIK-UHFFFAOYSA-N 606.642 6.930 50 20 KKGD CC(C)(C)[Si](C)(C)OCCC[C@@H](Cl)[C@@H](O)C[C@@H](O)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 585164698 ILRYZFNKUNXGJL-DEIHTGSNSA-N 593.397 6.865 50 20 KKGD CC(C)(C)[Si](C)(C)O[C@@H]1[C@H]2O[Si](C(C)(C)C)(C(C)(C)C)OC[C@H]2S[C@H]1n1cnc2c(O)nc(N)nc21 725326883 CPYFZUFOASRGOL-XNWPKKHHSA-N 553.878 5.576 50 20 KKGD CCCCC[C@@H](C=C[C@H]1[C@H](O[C@@H]2CCCCO2)CC(=O)[C@@H]1Cc1cccc(O[Si](C)(C)C(C)(C)C)c1)O[C@@H]1CCCCO1 1857776868 GGIODFRWUKSMTA-QDOIFASPSA-N 614.940 8.778 50 20 KKGD O=C(c1ccccc1)N1CCC[C@](CCCI)(c2ccc(Cl)c(Cl)c2)C1 91301959 XFAAEZSRGNMTTA-NRFANRHFSA-N 502.223 6.383 50 20 KKGD O=P(c1ccccc1)(c1ccccc1)c1ccc2c(c1)C1(c3ccccc3Oc3ccccc31)c1ccccc1-2 1857795590 QTDLDVQCRSLBCU-UHFFFAOYSA-N 532.579 7.795 50 20 KKGD Cc1cc(C)cc(P(c2cc(C)cc(C)c2)c2ccc3ccccc3c2-c2c(P(=O)(c3cc(C)cc(C)c3)c3cc(C)cc(C)c3)ccc3ccccc23)c1 2049614521 CGOHXSCJSSGNDN-UHFFFAOYSA-N 750.903 11.525 50 20 KKGD C=C1/C(=C/C=C2\CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/C(=O)C2CC2)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C 1857792976 OOEFJWPTKXCMDU-PBCMTKSMSA-N 639.126 11.358 50 20 KKGD CCCCN(CCCC)c1ccc(/C=C/c2ccc(/C=C/C3=C(C#N)C(=C(C#N)C#N)O[C@]3(c3ccccc3)C(F)(F)F)s2)c(OCc2ccccc2)c1 166014222 SXFGKYGUYHUANQ-RMFIFCMLSA-N 744.883 11.527 50 20 KKGD c1ccc([C@H]2COC(c3cc(-c4c(P(c5ccccc5)c5ccccc5)ccc5ccccc45)c4ccccc4c3)=N2)cc1 1988188144 YDKDUCTZCZKIQY-KXQOOQHDSA-N 583.671 8.936 50 20 KKGD CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1nn(C(=O)OC(C)(C)C)c2cc(F)c(CBr)cc12 168967334 PBNPQVFHAZIWAW-UHFFFAOYSA-N 544.418 6.530 50 20 KKGD Cc1ncsc1-c1ccc(CN2C[C@H](O)C[C@H]2C(=O)NC(=O)[C@@H](NC(=O)CCCCCOCCCCCOCCCCCCCl)C(C)(C)C)cc1 2114268542 RYTQFSBQNOKYJO-RWTOGVPBSA-N 749.459 6.791 50 20 KKGD CC1(C)CO[C@H]([C@H](O[Si](C)(C)C)[P@](=O)(c2ccccc2)[C@H](O[Si](C)(C)C)[C@@H]2COC(C)(C)O2)O1 407987089 YWLMONLNWMCIIO-VCPNUUJVSA-N 530.747 5.333 50 20 KKGD COC(=O)C1(C(=O)OC)Cc2cc(-c3cc4c(cc3P(c3ccccc3)c3ccccc3)CC(C(=O)OC)(C(=O)OC)C4)c(P(c3ccccc3)c3ccccc3)cc2C1 642690986 VXSMTLQRMNXJMA-UHFFFAOYSA-N 834.842 5.732 50 20 KKGD COc1cc(OC)cc(P(c2cc(OC)cc(OC)c2)c2cccc(OC)c2-c2c(OC)cccc2P(c2cc(OC)cc(OC)c2)c2cc(OC)cc(OC)c2)c1 209101108 SWMJWTAAPZTGDO-UHFFFAOYSA-N 822.828 6.956 50 20 KKGD C=CC(=O)N(c1ccc(S(F)(F)(F)(F)F)cc1)[C@H](C(=O)Nc1ccc(OC)cc1)c1cccnc1 1887554395 ZSGHNVZFYPBHJK-QFIPXVFZSA-N 513.488 6.647 50 20 KKGD COC(=O)C[C@H]1CC[C@@H]2O[C@@H]([C@H](/C=C/I)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O1 195855020 MIEJSEPCTMXSCI-SUCSLEJPSA-N 771.011 8.984 50 20 KKGD in-vitro CCN(CC)c1ccc(/C=C2\CCC(/C=C(\C#N)C(=O)Nc3ccccc3F)=C2N2CCOCC2)cc1 8687690 BZVIQTMIXILUQA-DJCYKTPPSA-N 500.618 5.524 50 20 KKGD aggregator c1ccc(P(c2ccccc2)c2ccc3cc2-c2cc(ccc2P(c2ccccc2)c2ccccc2)OCCCCCCCCCO3)cc1 1848350070 VFLBUEWBMRKYKE-UHFFFAOYSA-N 678.793 9.372 50 20 KKGD O=C(NC[C@H]1CCN(c2ccc(Cl)cc2)C1)NNC(=O)c1cc(-c2ccccc2)nc2ccccc12 921244381 AWNOMELEPZTMQV-LJQANCHMSA-N 500.002 5.026 50 20 KKGD c1ccc(P(c2ccccc2)c2cccc3c2-c2c(cccc2P(c2ccccc2)c2ccccc2)COCCCCCCCCOC3)cc1 2048541352 PUIBDQOXALAGLV-UHFFFAOYSA-N 692.820 9.257 50 20 KKGD c1ccc([P+](Cc2ccc(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)cc2)(c2ccccc2)c2ccccc2)cc1 137899731 NRCQBCMUUYSDSX-UHFFFAOYSA-N 584.683 8.367 50 20 KKGD CC(C)(C)c1cc(P(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2cccc3c2[C@@]2(CCc4cccc(C5=N[C@H](c6ccccc6)CO5)c42)CC3)cc(C(C)(C)C)c1 953000660 JIDAICRIWADNJH-INRGEYACSA-N 774.086 12.331 50 20 KKGD C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)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 1083802387 SPHUIJWPZSWHEE-QRDIWNQTSA-N 510.923 10.671 50 20 KKGD CC(C)(C)c1cc(P(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2cccc3c2[C@@]2(CC3)CCc3c(-c4nc(Cc5ccccc5)co4)cccc32)cc(C(C)(C)C)c1 575629757 JWJVJWMCDCPKDX-GNFJTHHVSA-N 786.097 13.059 50 20 KKGD CO[C@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cccc(O[Si](C)(C)C(C)(C)C)c6nc-5c4c3C2=O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C 2048534670 PKJJDWHYRSSRRR-MASBKNQOSA-N 915.122 8.333 50 20 KKGD CC(C)[Si](Oc1ccccc1[C@@H](CP(c1ccccc1)c1ccccc1)N[S@](=O)C(C)(C)C)(C(C)C)C(C)C 2088642691 IUYOKMGILWCTJY-XWDCEDKXSA-N 581.879 8.467 50 20 KKGD Cc1ccc(P(c2ccc(C)cc2)c2ccccc2[C@@H](CP(c2ccccc2)c2ccccc2)N[S@](=O)C(C)(C)C)cc1 2088642698 UDRXHOZRPOSOBR-SZZNSYQTSA-N 621.767 7.287 50 20 KKGD CCCC[C@H](CC)Cn1c(=O)c2cc(N(CCCl)CCCl)c3c(=O)n(C[C@@H](CC)CCCC)c(=O)c4cc(N(CCCl)CCCl)c(c1=O)c2c43 1848350122 LRUXMVDNEMWZLW-UIOOFZCWSA-N 770.670 8.066 50 20 KKGD CC(C)(C)OC(=O)N1[C@@H](C[C@@H](CCCOS(C)(=O)=O)CO[Si](C)(C)C(C)(C)C)COC1(C)C 169992010 YSXBJAXGDPRXTK-MOPGFXCFSA-N 509.782 5.143 50 20 KKGD c1ccc([C@@H]2OC([C@@H]3Cc4ccccc4N3P(c3ccccc3)c3ccccc3)=N[C@@H]2c2ccccc2)cc1 1988188080 QPMKCOKIXLEUOP-GMTSZFNJSA-N 524.604 7.377 50 20 KKGD Cc1ccc(P(c2ccc(C)cc2)c2cccc3c2C[C@]2(CCc4cccc(P(c5ccc(C)cc5)c5ccc(C)cc5)c42)C3)cc1 520795400 UCMZDMCPKGURJP-GWHBCOKCSA-N 644.779 8.419 50 20 KKGD Cc1ccc(N2c3ccc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)c5nc(-c6ccccc6)c(-c6ccccc6)nc45)cc3[C@H]3CCC[C@@H]32)cc1 2332240703 GOVFYRIVMTYTDY-AMYFDKJASA-N 706.871 11.447 50 20 KKGD Cc1ccc(N2c3ccc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)c5nsnc45)cc3[C@H]3CCC[C@H]32)cc1 2332241006 RMHMULLPFDLMEB-PHVOOWKVSA-N 560.704 8.175 50 20 KKGD N#CCCn1cc(/C=C(/C#N)C(=O)NC[C@@H]2CCCO[C@H]2c2ccccc2)c(-c2ccc(Cl)cc2)n1 920230980 BKVMNLTVQXHODT-QWCBZUSYSA-N 500.002 5.308 50 20 KKGD CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cccc(O[Si](C)(C)C(C)(C)C)c6nc-5c4c3C2=O)NC(=O)/C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C 2332239717 PKJJDWHYRSSRRR-RHWGRZFFSA-N 915.122 8.333 50 20 KKGD COc1cc([C@H](c2ccccc2)N(C)[S@@](=O)C(C)(C)C)c(P(c2ccccc2)c2ccccc2)cc1OC 2080760122 JRKPWFKMKYGFTG-PLGUFQJHSA-N 545.685 5.945 50 20 KKGD CCOC(C)(C)O/N=C1\[C@@H](C)C[C@](C)(OC)[C@@H](O[C@H]2O[C@@H](C)C[C@@H](N(C)C)[C@@H]2O[Si](C)(C)C)[C@H](C)[C@@H](O[C@@H]2C[C@](C)(OC)[C@H](O[Si](C)(C)C)[C@@H](C)O2)[C@H](C)C(=O)O[C@@H](CC)[C@](C)(O)[C@@H](O)[C@@H]1C 1073234903 SFTHBPKNOPSKEE-QYZFVLJLSA-N 993.479 7.734 50 20 KKGD CC(C)(C)OC(=O)N1C[C@H](OC(=O)c2ccccc2)[C@@H](C(F)F)[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 196175926 PYMMPVAYGZWPSQ-ULNSLHSMSA-N 609.786 6.289 50 20 KKGD C=C1C(CP(=O)(c2ccccc2)c2ccccc2)=CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](OCCCO[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C 2048528782 VMMQPHUAWXVFFM-CCUSMBMVSA-N 771.257 11.465 50 20 KKGD COc1cccc(P(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c1-c1c(OC)cccc1P(c1ccc(Cl)cc1)c1ccc(Cl)cc1 2382215606 UKTQXACZIYOTRN-UHFFFAOYSA-N 720.400 9.501 50 20 KKGD COc1ccc(P(c2ccc(OC)cc2)c2ccc3c(c2-c2c(P(c4ccc(OC)cc4)c4ccc(OC)cc4)ccc4c2OCCO4)OCCO3)cc1 1988187872 MWEUNIFTBGQLGK-UHFFFAOYSA-N 758.744 6.447 50 20 KKGD C=C1/C(=C/C[C@H]2CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 605699436 IEBYGWUFYYXFGX-LDRLPUKYSA-N 647.190 11.844 50 20 KKGD CC1(C)c2cccc([C@@H](N[S@](=O)C(C)(C)C)c3ccc(-c4ccccc4)cc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21 2088642688 CXMWLZGKVNFDKL-XDTQBKDLSA-N 679.866 9.685 50 20 KKGD O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N[C@H](c1ccccc1)[C@H](NC(=O)c1ccccc1P(c1ccccc1)c1ccccc1)c1ccccc1 2332241229 LICPWMLXQCDNCI-XPSQVAKYSA-N 755.699 9.517 50 20 KKGD COCC(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C(\C)[C@H](C[C@@H]1CC[C@@H](C)[C@](O)(C(=O)C(=O)N2CCCC[C@@H]2C(=O)O[C@H](CC(=O)[C@@H](C)/C=C(\C)C=O)[C@@H](C)C[C@@H]2CC[C@@H](OCCO)[C@H](OC)C2)O1)OC 2048528865 IWYZQBWTMLODNQ-LQMGAPJTSA-N 958.240 6.653 50 20 KKGD C=CC(=O)N(c1ccc(S(F)(F)(F)(F)F)cc1)[C@@H](C(=O)Nc1ccc(OC)cc1)c1cccnc1 1887554394 ZSGHNVZFYPBHJK-JOCHJYFZSA-N 513.488 6.647 50 20 KKGD CCCC[C@@H](CC)Cn1c(=O)c2cc(N(CCCl)CCCl)c3c(=O)n(C[C@H](CC)CCCC)c(=O)c4cc(N(CCCl)CCCl)c(c1=O)c2c43 1848350121 LRUXMVDNEMWZLW-CLJLJLNGSA-N 770.670 8.066 50 20 KKGD Cc1ccc(N2c3ccc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)c5nc(-c6ccccc6)c(-c6ccccc6)nc45)cc3[C@@H]3CCC[C@@H]32)cc1 2332240706 GOVFYRIVMTYTDY-YILQZJKKSA-N 706.871 11.447 50 20 KKGD c1ccc(C[C@@H]2COC(c3cc(-c4c(P(c5ccccc5)c5ccccc5)ccc5ccccc45)c4ccccc4c3)=N2)cc1 1988187957 AOBLDEOHLOVEKT-UUWRZZSWSA-N 597.698 8.806 50 20 KKGD C[C@H](C[C@@H](C)P(c1cc2ccccc2o1)c1cc2ccccc2o1)P(c1cc2ccccc2o1)c1cc2ccccc2o1 2332240987 NXTXEJGPEHPXFE-JWQCQUIFSA-N 600.591 9.404 50 20 KKGD CCCCC[C@@H](C=C[C@H]1[C@H](O[C@H]2CCCCO2)CC(=O)[C@@H]1Cc1cccc(O[Si](C)(C)C(C)(C)C)c1)O[C@H]1CCCCO1 1857776866 GGIODFRWUKSMTA-NIDLGKGFSA-N 614.940 8.778 50 20 KKGD CNC(=O)N1C[C@@H](P(C2CCCCC2)C2CCCCC2)C[C@H]1CP(c1ccccc1)c1ccccc1 79417860 BREAVWOTKQHAAN-QCDSWUKFSA-N 522.654 7.049 50 20 KKGD CC(C)(C)c1cc(P(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2cccc3c2[C@@]2(CCc4cccc(NCC5SCCCS5)c42)CC3)cc(C(C)(C)C)c1 953000639 BNYILTASQNPKOC-DPDRHGIRSA-N 776.193 12.421 50 20 KKGD CN1C(=C(C#N)C(=O)CCC(=O)Nc2ccc(NCc3ccccc3)c(Cl)c2)N(C)c2ccccc21 729247943 VGDXUNJDZSCHOG-UHFFFAOYSA-N 500.002 5.561 50 20 KKGD O=C(CCOCCOCCOCCOCCNC(=O)CCC(=O)N1Cc2ccccc2C#Cc2ccccc21)NCCSSCCNC(=O)O[C@@H]1CC/C=C/CCC1 2332239665 PLNJLVRXRBJPOE-FXUJNMGCSA-N 839.090 5.399 50 20 KKGD COc1ccc(C(N[C@@H]2[C@@H](COC(=O)c3ccc(C)cc3)O[C@@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)[C@H]2O[Si](C)(C)C(C)(C)C)(c2ccccc2)c2ccccc2)cc1 953040793 BWTPIFCWNCKJKX-WCEPEKRDSA-N 875.115 9.491 50 20 KKGD CC(C)N(C)c1ccc2ccccc2c1-c1c(P(c2ccccc2)c2ccccc2)ccc2ccccc12 138084349 UZTLXWINIJMBOF-UHFFFAOYSA-N 509.633 8.263 50 20 KKGD CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cc(B(O)O)ccc34)cc21 201041245 YKMWTPQZAOXQIJ-UHFFFAOYSA-N 606.574 9.619 50 20 KKGD CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCCNC(=O)CCSSc1ccccn1)OC(=O)CCCCCCCCCCCCCCCCC 2332241092 HVBRYYSWCVLAOU-WBVITSLISA-N 945.364 14.440 50 20 KKGD O[C@@]1(C(Cl)Cl)O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 100233895 ISTHNDHHKHNGJB-ZXRSUHRQSA-N 623.573 6.851 50 20 KKGD CC(C)(C)c1cc(P(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2ccccc2-c2ccccc2C2=N[C@@H](c3ccccc3)CO2)cc(C(C)(C)C)c1 1848350009 HMWUCEJALXVGBW-VZUYHUTRSA-N 707.983 11.820 50 20 KKGD N#C/C(=C\c1ccc(-c2ccc3c(c2)CCc2cc(N(c4ccccc4)c4cccc5ccccc45)ccc2-3)s1)C(=O)O 261508441 SMXFFEPTKBNUQV-BYNJWEBRSA-N 574.705 9.795 50 20 KKGD CC(C)(C)[Si](C)(C)O[C@H](/C=C/[C@H]1[C@H](OC(=O)c2ccc(-c3ccccc3)cc2)C[C@@H]2OC(=O)C[C@@H]21)COc1cccc(C(F)(F)F)c1 169982817 WOAZYHLGNODOFU-AVEXLINGSA-N 666.809 8.875 50 20 KKGD Cc1cc(C)cc(P(c2cc(C)cc(C)c2)[C@@H](C)[C@@H]2CCC[C@H]2P(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)c1 2048541382 UQSALUDEWWBALF-QIVKAUMISA-N 578.761 9.277 50 20 KKGD CCCCCCCCn1nc2c(-c3ccc4c(c3)[C@@H]3CCC[C@@H]3N4c3ccc(C)cc3)ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)c2n1 2332240973 KWGXGHUFZVZNNT-HGMOAFFDSA-N 655.868 10.275 50 20 KKGD Cc1nn(-c2ccccc2C(F)(F)F)c(Cl)c1/C=C(\C#N)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 2088600787 OABRRFMXLINBIC-XYOKQWHBSA-N 533.259 7.071 50 20 KKGD C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)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 1083802386 SPHUIJWPZSWHEE-QFHLHQROSA-N 510.923 10.671 50 20 KKGD N#CC(=Cc1ccc2c(c1)[C@@H]1CCC[C@@H]1N2c1ccc(C=C(c2ccccc2)c2ccccc2)cc1)C(=O)O 1857795564 GOTRYMLNXIJMCB-DITALETJSA-N 508.621 8.055 50 20 KKGD FC(F)(F)c1cc(Pc2ccc3ccccc3c2-c2c(Pc3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc3ccccc23)cc(C(F)(F)F)c1 2048541414 RMRRFJAYSOJQLL-UHFFFAOYSA-N 742.480 10.994 50 20 KKGD N#CCCn1cc(/C=C(/C#N)C(=O)N2CCC(COc3ccccc3)CC2)c(-c2ccc(Cl)cc2)n1 729431333 LPGADERKERLKIJ-QJOMJCCJSA-N 500.002 5.342 50 20 KKGD CC(C)(C)[Si](OCCC[C@H]1CC(=O)[C@H](CCCOCc2ccccc2)O1)(c1ccccc1)c1ccccc1 585164820 YBWXDIQXRZESCW-IUDBTDONSA-N 530.781 6.067 50 20 KKGD CCCCC[C@@H](C=C[C@H]1[C@H](O[C@H]2CCCCO2)CC(=O)[C@@H]1Cc1cccc(O[Si](C)(C)C(C)(C)C)c1)O[C@@H]1CCCCO1 1857776865 GGIODFRWUKSMTA-FYIZGINKSA-N 614.940 8.778 50 20 KKGD Cc1cccc(P(c2cccc(C)c2)c2ccc3ccccc3c2-c2c(N(C)C)ccc3ccccc23)c1 642814269 UAIXCFOHUNEGSB-UHFFFAOYSA-N 509.633 8.101 50 20 KKGD COCC(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C(\C)[C@H](C[C@@H]1CC[C@@H](C)[C@](O)(C(=O)C(=O)N2CCCC[C@@H]2C(=O)O[C@H](CC(=O)[C@H](C)/C=C(\C)C=O)[C@H](C)C[C@@H]2CC[C@@H](OCCO)[C@H](OC)C2)O1)OC 2048528864 IWYZQBWTMLODNQ-JHVUICEBSA-N 958.240 6.653 50 20 KKGD Fc1ccccc1-c1c(CP(Br)(c2ccccc2)(c2ccccc2)c2ccccc2)c(C2CC2)nc2ccccc12 2048529045 CCLXGZWUTJQVNF-UHFFFAOYSA-N 618.530 9.258 50 20 KKGD COc1c(C(C)(C)C)cc(P(c2cc(C(C)(C)C)c(OC)c(C(C)(C)C)c2)c2ccccc2-c2ccccc2C2=N[C@@H](c3ccccc3)CO2)cc1C(C)(C)C 1848350016 MRYHGKMTOHRDDY-VZUYHUTRSA-N 768.035 11.837 50 20 KKGD CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1nn(C(=O)OC(C)(C)C)c2ccc(CBr)cc12 382007690 SRZORCGPNRRUNR-UHFFFAOYSA-N 526.428 6.391 50 20 KKGD CC(C)(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)Cc1c(I)[nH]c2ccc(Br)cc12 2332240893 RISXHEDJHRHYSO-UHFFFAOYSA-N 646.483 7.680 50 20 KKGD O=C(Nc1ccc2c3c(cccc13)C(=O)N(CCOCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C2=O)OC1CSSC1 1857792636 FGHPBZMLNDUIJO-UHFFFAOYSA-O 693.807 6.759 50 20 KKGD CC(C)(C)c1cc(P(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2cccc3c2[C@]2(CCc4cccc(NCCSc5ccccc5)c42)CC3)cc(C(C)(C)C)c1 2240801939 GJLNYFIJEGFWHW-IONAWPRUSA-N 780.159 13.018 50 20 KKGD Cc1ccccc1P(c1ccccc1C)c1ccccc1Oc1ccccc1P(c1ccccc1C)c1ccccc1C 197563999 QWVPCSCVFCSULE-UHFFFAOYSA-N 594.675 8.229 50 20 KKGD COc1cc(OC)c(-c2c(OC)cc(OC)cc2Pc2cc(C(C)(C)C)c(OC)c(C(C)(C)C)c2)c(Pc2cc(C(C)(C)C)c(OC)c(C(C)(C)C)c2)c1 2048513278 HYYRPJGNUFSVOY-UHFFFAOYSA-N 774.960 9.854 50 20 KKGD CC(C)c1cc(C(C)C)c(-c2cc3ccccc3c3c2OP(=O)(NP(=O)(c2ccccc2)c2ccccc2)Oc2c(-c4c(C(C)C)cc(C(C)C)cc4C(C)C)cc4ccccc4c2-3)c(C(C)C)c1 2049614523 GSAODPNRBKDGKT-UHFFFAOYSA-N 952.169 18.132 50 20 KKGD Cc1nn(-c2ccccc2)c(C)c1/C=C(\C#N)C(=O)OCC(=O)c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C 3372377 PZKILEBNUPMECZ-HYARGMPZSA-N 546.549 6.249 50 20 KKGD CC1(C)OB(c2ccc(NC(=O)CSSCC(=O)Oc3ccc4c(c3)Oc3cc(O)ccc3[C@@]43OC(=O)c4ccccc43)cc2)OC1(C)C 261506996 DHQGXNQXMSEJBX-PSXMRANNSA-N 697.596 6.185 50 20 KKGD Cc1cc(C)cc(P(c2cc(C)cc(C)c2)c2cccc3c2[C@]2(CCc4cccc(C5=N[C@@H](Cc6ccccc6)CO5)c42)CC3)c1 141155188 HIVLVUWPNHHMAS-NDRYZEJLSA-N 619.789 8.245 50 20 KKGD CC1(C)CO[C@H]([C@H](O[Si](C)(C)C)[P@](=O)(c2ccccc2)[C@H](O[Si](C)(C)C)[C@H]2COC(C)(C)O2)O1 407987091 YWLMONLNWMCIIO-WEHKESQGSA-N 530.747 5.333 50 20 KKGD Cc1cccc(CNc2cccc3c2[C@@]2(CC3)CCc3cccc(P(c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c32)n1 642772199 ZWABGMMPJPLEHM-OIVUAWODSA-N 749.080 12.129 50 20 KKGD CC1(C)CO[C@H]([C@H](O[Si](C)(C)C)[P@@](=O)(c2ccccc2)[C@@H](O[Si](C)(C)C)[C@H]2COC(C)(C)O2)O1 169892951 YWLMONLNWMCIIO-FPYGBCFKSA-N 530.747 5.333 50 20 KKGD NNC(=O)c1ccc(-c2ccc(N(c3ccc(-c4ccc(C(=O)NN)cc4)cc3)c3ccc(-c4ccc(C(=O)NN)cc4)cc3)cc2)cc1 2048532693 GMOMNVWWFYGIKS-UHFFFAOYSA-N 647.739 5.968 50 20 KKGD Cc1cc(C)cc(P(c2cc(C)cc(C)c2)[C@@H](C)[C@H]2CCC[C@H]2P(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)c1 2048541381 UQSALUDEWWBALF-BITPBDJCSA-N 578.761 9.277 50 20 KKGD BrCc1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccc(CBr)cc2)cc1 1911925523 WCVMFQALSVMHTL-UHFFFAOYSA-N 518.292 8.484 50 20 KKGD Cc1ccc(N2c3ccc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)c5nsnc45)cc3[C@@H]3CCC[C@H]32)cc1 2332241005 RMHMULLPFDLMEB-MQVPNANNSA-N 560.704 8.175 50 20 KKGD CNC(=O)N1C[C@H](P(C2CCCCC2)C2CCCCC2)C[C@@H]1CP(c1ccccc1)c1ccccc1 137022150 BREAVWOTKQHAAN-FYBSXPHGSA-N 522.654 7.049 50 20 KKGD c1ccc(P(c2ccccc2)c2ccccc2Nc2ccccc2P(c2ccccc2)c2ccccc2)cc1 59448206 NAZDLMABXHCSPQ-UHFFFAOYSA-N 537.583 6.947 50 20 KKGD Cc1cc(C)cc(P(c2cc(C)cc(C)c2)c2ccc3c(c2-c2c(P(=O)(c4cc(C)cc(C)c4)c4cc(C)cc(C)c4)ccc4c2OCO4)OCO3)c1 196136465 GBMUBRXSRCDTRV-UHFFFAOYSA-N 738.801 8.676 50 20 KKGD c1ccc([C@@H]2N=C([C@@H]3Cc4ccccc4N3P(c3ccccc3)c3ccccc3)O[C@@H]2c2ccccc2)cc1 1988188079 QPMKCOKIXLEUOP-DHWXLLNHSA-N 524.604 7.377 50 20 KKGD C=C1/C(=C/C[C@@H]2CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 605699437 IEBYGWUFYYXFGX-WRSWQPMUSA-N 647.190 11.844 50 20 KKGD CC(C)(C)c1cc(P(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2cccc3c2[C@]2(CCc4cccc(NCCSCc5ccccc5)c42)CC3)cc(C(C)(C)C)c1 2240669715 KCPKRTWDDWPCHY-AXAMJWTMSA-N 794.186 13.159 50 20 KKGD Cc1ccc(S[C@@H]2O[C@@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)cc1 204893001 FVWMHGKJMGETAM-LJXDPWEESA-N 575.081 7.324 50 20 KKGD COCC(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C(\C)[C@H](C[C@@H]1CC[C@@H](C)[C@](O)(C(=O)C(=O)N2CCCC[C@@H]2C(=O)O[C@H](CC(=O)[C@@H](C)/C=C(\C)C=O)[C@H](C)C[C@@H]2CC[C@@H](OCCO)[C@H](OC)C2)O1)OC 2048528866 IWYZQBWTMLODNQ-MPMLICTISA-N 958.240 6.653 50 20 KKGD COc1ccc(C(=O)O[C@H]2CS[C@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@H]2OC(=S)n2ccnc2)c(OC)c1 725327026 SQOOKRVFNDLNLM-YPKYBTACSA-N 662.906 5.336 50 20 KKGD BrCCCCOc1ccc(C(=C(c2ccc(OCCCCBr)cc2)c2ccc(OCCCCBr)cc2)c2ccc(OCCCCBr)cc2)cc1 1911925401 HZAGSEAPIRCOFL-UHFFFAOYSA-N 936.458 12.910 50 20 KKGD O=P(c1ccccc1)(c1ccccc1)c1cccc(-c2cc(-c3cccc(P(=O)(c4ccccc4)c4ccccc4)c3)cc(-c3cccc(P(=O)(c4ccccc4)c4ccccc4)c3)c2)c1 221243447 VVDJSWJPDAJENP-UHFFFAOYSA-N 906.939 11.606 50 20 KKGD Cc1cccnc1CNc1cccc2c1[C@]1(CC2)CCc2cccc(P(c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c21 208103012 XDNYVKUMWMLBJV-MPLRIKRWSA-N 749.080 12.129 50 20 KKGD CCOC(=O)c1cc(OC)c2c(CCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)c(Br)sc2c1 2090611484 YREXFCNDRALMFB-UHFFFAOYSA-N 597.647 6.968 50 20 KKGD Cc1cc(C)cc(P(c2cc(C)cc(C)c2)c2ccc3c(c2-c2c(P(c4cc(C)cc(C)c4)c4cc(C)cc(C)c4)ccc4c2OCCO4)OCCO3)c1 201676881 ODEFOLDKAQTMMX-UHFFFAOYSA-N 750.856 8.880 50 20 KKGD c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2cc(C3=N[C@H]4c5ccccc5C[C@H]4O3)cc3ccccc23)cc1 1988188043 MXALZWUTXAIBGW-UMBAWLCISA-N 595.682 8.861 50 20 KKGD Fc1c(F)c(F)c(Cn2c(-c3c(P(c4ccccc4)c4ccccc4)ccc4ccccc34)nc(-c3ccccc3)c2-c2ccccc2)c(F)c1F 210776190 QFGAWCQIZYUPDE-UHFFFAOYSA-N 710.686 10.539 50 20 KKGD COc1ccc(P(c2ccc(OC)cc2)c2ccccc2-c2ccccc2C2=N[C@@H](c3ccccc3)CO2)cc1 1848350032 VJBNOKILJKIAGV-MGBGTMOVSA-N 543.603 6.647 50 20 KKGD CC1(C)c2cccc([C@@H](N[S@@](=O)C(C)(C)C)[C@]34C[C@H]5C[C@@H](C[C@@H](C5)C3)C4)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21 2088639943 DDAVVJQEEHFBRU-XFPQCELNSA-N 661.892 9.186 50 20 KKGD O=P(c1ccccc1)(c1ccccc1)c1ccc2c(c1-c1c(P(c3ccccc3)c3ccccc3)ccc3c1CCCC3)CCCC2 195854280 UBQBNQUHUNEYJZ-UHFFFAOYSA-N 646.751 8.509 50 20 KKGD COc1ccc(C(OCCCCCCSSCCCCCCOP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 150653540 VEONRKLBSGQZRU-UHFFFAOYSA-N 769.067 11.807 50 20 KKGD Cc1cc(C)cc(P(c2cc(C)cc(C)c2)c2cccc3c2[C@]2(CCc4cccc(NCCSc5ccccc5)c42)CC3)c1 2241285335 GLFWXVCQNVYJPY-VQJSHJPSSA-N 611.835 9.061 50 20 KKGD Cc1cc(C)cc(P(=O)(c2cc(C)cc(C)c2)c2cc3ccc2CCc2ccc(c(P(=O)(c4cc(C)cc(C)c4)c4cc(C)cc(C)c4)c2)CC3)c1 219518676 USFYXQCAXOZHHH-UHFFFAOYSA-N 720.874 9.317 50 20 KKGD CC(C)(C)c1ccc([C@@H](N[S@@](=O)C(C)(C)C)c2cccc3c2Oc2c(P(c4ccccc4)c4ccccc4)cccc2C3(C)C)cc1 2080748118 VJTIVTACNRPUBZ-AATBJDLXSA-N 659.876 9.315 50 20 KKGD CC(C)(C)[S@@](=O)N[C@H](c1cc(-c2ccccc2)cc(-c2ccccc2)c1)c1ccccc1P(c1ccccc1)c1ccccc1 2088642694 QRLDUSYDTXOZHX-KUKXATSESA-N 623.802 8.920 50 20 KKGD Cc1ccc(N2c3ccc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)c5nc(-c6ccccc6)c(-c6ccccc6)nc45)cc3[C@H]3CCC[C@H]32)cc1 2332240705 GOVFYRIVMTYTDY-LREIBXRESA-N 706.871 11.447 50 20 KKGD CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCCNC(=O)OCCNC(=O)I)OC(=O)CCCCCCCCCCCCCCCCC 2382215081 YPKROGTZRFLGGK-VQJSHJPSSA-N 989.064 12.969 50 20 KKGD Cc1cccc(C)c1P(c1ccccc1CN[C@@H]1CCCC[C@H]1NCc1ccccc1P(c1c(C)cccc1C)c1c(C)cccc1C)c1c(C)cccc1C 1857777420 OVVLELLULDWXFA-AWSIMMLFSA-N 775.014 9.861 50 20 KKGD CC(C)(C)[Si](C)(C)O[C@@H](/C=C/I)[C@@H]1O[C@H]2CC[C@H](CC=O)O[C@@H]2[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C 200155548 ODVGUSYWRNAPQX-CPPJESTFSA-N 740.985 9.010 50 20 KKGD CC(C)C[Si]1(O)O[Si@]2(CC(C)C)O[Si]3(CC(C)C)O[Si]4(CC(C)C)O[Si@](CC(C)C)(O[Si](O)(CC(C)C)O[Si@@](CC(C)C)(O4)O[Si@](CC(C)C)(O1)O3)O2 2332241037 ZJILJEYGMBWQKZ-KTCFBFRNSA-N 891.619 7.967 50 20 KKGD FC(F)(F)c1ccc(P(c2ccc(C(F)(F)F)cc2)c2ccccc2-c2ccccc2C2=N[C@@H](c3ccccc3)CO2)cc1 1848350020 PWFKHLYPILGCFV-WJOKGBTCSA-N 619.545 8.668 50 20 KKGD O=C(NCCSSCCNC(=O)c1cccc(Nc2ncnc3ccccc23)c1)c1cccc(Nc2ncnc3ccccc23)c1 1776004538 LUUJESSLBYFFRG-UHFFFAOYSA-N 646.802 6.601 50 20 KKGD N#CCCn1cc(/C=C(/C#N)C(=O)N2CCC(OCc3ccccc3)CC2)c(-c2ccc(Cl)cc2)n1 843742544 KBXJTXMMLZDCPY-QJOMJCCJSA-N 500.002 5.232 50 20 KKGD Cc1ccccc1[S@](=O)[C@H](c1ccccc1)[C@@H](NC(=O)c1ccccc1P(c1ccccc1)c1ccccc1)c1ccccc1 2048541342 CBQGWOOXHYXGIS-MPGVBGQMSA-N 623.758 7.773 50 20 KKGD Cc1ccc(P(c2ccc(C)cc2)c2ccc3c(c2-c2c(P(c4ccc(C)cc4)c4ccc(C)cc4)ccc4c2OCCO4)OCCO3)cc1 220362801 ZAFQLNWLOAQQLW-UHFFFAOYSA-N 694.748 7.646 50 20 KKGD CC(C)(C)c1cc(P(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2cccc3c2[C@]2(CCc4cccc(NCC5=NC[C@H](c6ccccc6)O5)c42)CC3)cc(C(C)(C)C)c1 2332241237 OSVOOBNXVDUSLR-GEEIMZPRSA-N 803.128 12.395 50 20 KKGD C=CCOC(=O)N1c2cc(O)c(OC)cc2C(=O)N2Cc3ccccc3C[C@H]2[C@@H]1O[Si](C)(C)C(C)(C)C 1857792530 SJQRUUNCENSSQA-NVQXNPDNSA-N 524.690 5.458 50 20 KKGD CC(C)(C)OC(=O)N1C[C@H](P(c2ccccc2)c2ccccc2)C[C@@H]1CP(c1ccccc1)c1ccccc1 103641949 BFMKBYZEJOQYIM-WXGMZPBLSA-N 553.623 6.630 50 20 KKGD Cc1cccc([C@@H](C)[C@@H](/C=C/[C@H]2[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]3OC(=O)C(F)(F)[C@@H]32)O[Si](C)(C)C(C)(C)C)c1 203642058 DBQWECNFMJHUSL-SKLRBWTCSA-N 580.905 8.632 50 20 KKGD CC(C)(C)[C@@H]1COC(c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)=N1 221964545 VKFBIHDRGMDGJS-DHUJRADRSA-N 563.681 8.610 50 20 KKGD CCCCC[C@@H](C=C[C@H]1[C@H](O[C@@H]2CCCCO2)CC(=O)[C@@H]1Cc1cccc(O[Si](C)(C)C(C)(C)C)c1)O[C@H]1CCCCO1 1857776867 GGIODFRWUKSMTA-OWRHBBTISA-N 614.940 8.778 50 20 KKGD c1ccc(P(c2ccccc2)[C@H](C[C@H](C2CCCCC2)P(c2ccccc2)c2ccccc2)C2CCCCC2)cc1 136002020 OHHRETAQTBGNTI-LJEWAXOPSA-N 576.745 9.540 50 20 KKGD CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](n2cc(CO)c3c(Cl)ncnc32)C[C@@H]1O[Si](C)(C)C(C)(C)C 253532793 AXAPBUXBGVNXIJ-OTWHNJEPSA-N 528.242 6.277 50 20 KKGD c1ccc(C[C@@H]2COC(c3ccccc3P(c3ccccc3)c3ccccc3C3=N[C@H](Cc4ccccc4)CO3)=N2)cc1 1988182129 HSRGLAMKLMUNJI-FIRIVFDPSA-N 580.668 6.221 50 20 KKGD CC(C)(C)[Si](OCCC[C@H]1C[C@H](O)[C@H](CCCOCc2ccccc2)O1)(c1ccccc1)c1ccccc1 585164722 MGANJKZABJOTLY-MHDHXZMLSA-N 532.797 5.859 50 20 KKGD C[Si](C)(C)c1cc(P(c2ccccc2)c2ccccc2)c(-c2c(P(c3ccccc3)c3ccccc3)cc([Si](C)(C)C)c3ccccc23)c2ccccc12 195831549 OKQMTLJEXLPLOI-UHFFFAOYSA-N 767.054 10.267 50 20 KKGD Cc1ccc(N2c3ccc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)c5nsnc45)cc3[C@@H]3CCC[C@@H]32)cc1 2332241007 RMHMULLPFDLMEB-PRWXSIEZSA-N 560.704 8.175 50 20 KKGD CCCCCCCCCCCCOc1ccc(COc2cc(CCl)cc(OCc3ccc(OCCCCCCCCCCCC)cc3)c2OCc2ccc(OCCCCCCCCCCCC)cc2)cc1 215759129 HOXWVLXFSXTUJP-UHFFFAOYSA-N 997.927 20.062 50 20 KKGD N#CC(=Cc1ccc2c(c1)[C@@H]1CCC[C@H]1N2c1ccc(C=C(c2ccccc2)c2ccccc2)cc1)C(=O)O 1857795563 GOTRYMLNXIJMCB-BZKUTMRRSA-N 508.621 8.055 50 20 KKGD C[C@H]1C[C@H](C)Oc2cccc(P(c3ccccc3)c3ccccc3)c2-c2c(cccc2P(c2ccccc2)c2ccccc2)O1 145054910 LFTYQEBATLFANJ-CONSDPRKSA-N 622.685 7.808 50 20 KKGD C=C1/C(=C/C=C2\CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(=O)OCC)C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C 605700364 GDQYJABERVWRRO-OSELMNNISA-N 659.157 11.556 50 20 KKGD c1ccc(P(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4Oc4ccccc42)c2ccccc2-3)cc1 642814198 QEAXCTTZOFUKEB-UHFFFAOYSA-N 516.580 7.914 50 20 KKGD CCCCn1nc(C)c(C=NNC(=O)c2ccc(CN3C(=O)c4cccc5cccc3c45)cc2)c1Cl 915908834 PVQXFQLEFBZNAI-UHFFFAOYSA-N 500.002 5.723 50 20 KKGD COc1cc(NCCCOc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OC)c(C#N)cc1OCCCCl 2048529599 QPBXQKDXGBLYKZ-UHFFFAOYSA-N 600.478 6.943 50 20 KKGD Cc1ccccc1CN(C)C(=O)COC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(Cl)c(C(F)(F)F)c2)c1C 826663351 TWGVMKNLUCGOFJ-WSDLNYQXSA-N 543.973 6.184 50 20 KKGD Nc1cc(S(F)(F)(F)(F)F)ccc1N(O)c1c(O)c(Br)cc(S(F)(F)(F)(F)F)c1Br 2241739964 BARJMHQVGDECPP-UHFFFAOYSA-N 626.130 9.342 50 20 KKGD c1ccc([C@@H]2OC([C@H]3Cc4ccccc4CN3P(c3ccccc3)c3ccccc3)=N[C@@H]2c2ccccc2)cc1 1988188028 KMAGVECZTDMKCR-VATRIRCNSA-N 538.631 7.373 50 20 KKGD Cc1nn(-c2ccc(C(F)(F)F)cc2)c(Cl)c1/C=C(\C#N)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 2088599867 FQQUPDXJOBZAIQ-XYOKQWHBSA-N 533.259 7.071 50 20 KKGD COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(SCCC#N)nc3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 195904678 WFXRMNGTFFJLSM-DCZZOZOESA-N 729.972 6.924 50 20 KKGD C=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OCCCO[Si](C)(C)C(C)(C)C)[C@H](C/C(I)=C/CO)O[Si](C)(C)C(C)(C)C 2048528765 QZHYEJHORRCWSB-IGNLUPSDSA-N 714.991 9.452 50 20 KKGD c1ccc(P(c2ccccc2)c2c3ccccc3c(P(c3ccccc3)c3ccccc3)c3ccccc23)cc1 169674273 ZOIWQBKOGUVOPW-UHFFFAOYSA-N 546.590 7.509 50 20 KKGD BrCCCOc1ccc(/C(=C(\c2ccccc2)c2ccc(OCCCBr)cc2)c2ccccc2)cc1 1911925527 OLCPBTNHVIEYEW-QNEJGDQOSA-N 606.398 9.022 50 20 KKGD c1ccc([C@@H]2N=C([C@@H]3Cc4ccccc4CN3P(c3ccccc3)c3ccccc3)O[C@@H]2c2ccccc2)cc1 1988188027 KMAGVECZTDMKCR-PUPDPRJKSA-N 538.631 7.373 50 20 KKGD CC(C)(C)[C@H]1COC(c2cc(-c3c(P(c4ccccc4)c4ccccc4)ccc4ccccc34)c3ccccc3c2)=N1 1988188048 NQFKYFGWPWOCKQ-PSXMRANNSA-N 563.681 8.610 50 20 KKGD COc1ccc(O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)c(P(c2ccccc2)c2ccccc2)c1-c1cccc(O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)c1P(c1ccccc1)c1ccccc1 2048541308 RIINUQQZDGYGCU-URHXEDJNSA-N 861.100 12.558 50 20 KKGD O=P(c1ccccc1)(c1ccccc1)c1ccc2c(c1-c1c(P(c3ccccc3)c3ccccc3)ccc3c1OCO3)OCO2 137527046 UVSGMDVCIVHROY-UHFFFAOYSA-N 626.585 6.209 50 20 KKGD CC(C)[Si](Oc1ccc2ccccc2c1-c1c(Op2oc3ccc4ccccc4c3c3c(ccc4ccccc43)o2)ccc2ccccc12)(C(C)C)C(C)C 1988187869 JSMXGSWIZUIGKE-UHFFFAOYSA-N 756.955 15.966 50 20 KKGD Fc1cccc(-c2c(CP(Br)(c3ccccc3)(c3ccccc3)c3ccccc3)c(C3CC3)nc3ccccc23)c1 2048529096 HLDDOKMEVAOOAL-UHFFFAOYSA-N 618.530 9.258 50 20 KKGD Cc1cccc(P(c2cccc(C)c2)c2ccc3c(c2-c2c(N(C)C)ccc4c2CCCC4)CCCC3)c1 642814270 UAIZPMIPXWZQIF-UHFFFAOYSA-N 517.697 7.552 50 20 KKGD CC(C)C[Si@@]12O[Si@]3(CC(C)C)O[Si@](CC(C)C)(O1)O[Si@@]1(CC(C)C)O[Si@@]4(CC(C)C)O[Si@@](CC(C)C)(O2)O[Si@](CC(C)C)(O3)O[Si@](CCCO)(O4)O1 1857791258 RFZPOKIOHCDFHK-OHYDUNEUSA-N 875.576 7.739 50 20 KKGD COc1ccc(P(CC(C)(CP(c2ccc(OC)cc2)c2ccc(OC)cc2)CP(c2ccc(OC)cc2)c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 201963481 RRCZGCNMISMWGQ-UHFFFAOYSA-N 804.841 8.443 50 20 KKGD CC(C)(C)[Si](C)(C)OCCC[C@@H]1O[C@@H](CCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1=O 585164799 WPXRMTIUBSCUEY-YZNIXAGQSA-N 554.920 6.872 50 20 KKGD c1ccc([C@@H]2OC(c3cc(-c4c(P(c5ccccc5)c5ccccc5)ccc5ccccc45)c4ccccc4c3)=N[C@@H]2c2ccccc2)cc1 1988187992 FXSZDYRCVBCCEJ-LYINUXIMSA-N 659.769 10.678 50 20 KKGD O=P1(O)c2c(-c3ccccc3-c3ccccc3)cc3ccccc3c2-c2c1c(-c1ccccc1-c1ccccc1)cc1ccccc21 1875251700 DGFIHFCVIKHUOD-UHFFFAOYSA-N 620.688 10.863 50 20 KKGD COc1cc2nccc(Oc3ccc(NC(=O)[C@H](CCCl)C(=O)Nc4ccc(F)cc4)cc3)c2cc1OC 2048532490 VQWHBWXLWFHDMC-OAQYLSRUSA-N 537.975 6.006 50 20 KKGD CC[N+]1=C(/C=C/C2=C3Oc4cc(OCc5ccc(B(O)O)cc5)c(Cl)cc4C=C3CCC2)C(C)(C)c2ccccc21 2048518086 NLKGZMLVKJYNCX-SAPNQHFASA-N 566.914 6.465 50 20 KKGD CC(C)(C)[Si](C)(C)OCCC[C@@H](Cl)[C@@H](O)CC(=O)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 585164760 PVKFFJMRWIRWJG-IHLOFXLRSA-N 591.381 7.073 50 20 KKGD O=P(c1ccccc1)(c1ccccc1)c1ccc2oc3ccc(-n4c5ccccc5c5ccccc54)cc3c2c1 642814181 OZYKAXVKNIRQPT-UHFFFAOYSA-N 533.567 8.323 50 20 KKGD c1ccc([C@@H]2N=C(c3ccccc3-c3ccccc3P(c3ccccc3)c3ccccc3)O[C@@H]2c2ccccc2)cc1 1988188088 RFWFGOSVSOFSJR-QPPIDDCLSA-N 559.649 8.371 50 20 KKGD c1ccc([C@@H]2N=C([C@H]3Cc4ccccc4CN3P(c3ccccc3)c3ccccc3)O[C@@H]2c2ccccc2)cc1 1988188026 KMAGVECZTDMKCR-GVBYMILNSA-N 538.631 7.373 50 20 KKGD COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](OP(OCCC#N)N(C(C)C)C(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 196574088 UZVSHRLVIXPYEZ-ZMHKPELYSA-N 861.062 8.511 50 20 KKGD in-vitro c1ccc(P(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1 514286983 BRTJBNHSYGCSQI-UHFFFAOYSA-N 592.682 9.639 50 20 KKGD Cc1ccc(N(c2ccc(C)cc2)c2ccccc2-c2ccccc2P(=O)(c2ccccc2)c2ccccc2)cc1 2332240874 NGVRZNJHVGXRSZ-UHFFFAOYSA-N 549.654 9.080 50 20 KKGD c1ccc(P(c2ccccc2)c2ccc3cc2-c2cc(ccc2P(c2ccccc2)c2ccccc2)OCCCCCCCCCCO3)cc1 198053893 MQZNRYHDHKXLNC-UHFFFAOYSA-N 692.820 9.762 50 20 KKGD CC(C)[C@@H]1COC(c2cc(-c3c(P(c4ccccc4)c4ccccc4)ccc4ccccc34)c3ccccc3c2)=N1 1988188020 JZGPXEGMJMDHLC-DHUJRADRSA-N 549.654 8.220 50 20 KKGD CCCCCCCCn1nc2c(-c3ccc4c(c3)[C@H]3CCC[C@H]3N4c3ccc(C)cc3)ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)c2n1 2332240972 KWGXGHUFZVZNNT-HDMGRGMDSA-N 655.868 10.275 50 20 KKGD C[Si](C)(C)c1cc(Pc2ccc3c(c2-c2c(Pc4cc([Si](C)(C)C)cc([Si](C)(C)C)c4)ccc4c2OCO4)OCO3)cc([Si](C)(C)C)c1 2048541346 MRYWVUKDMNNTSS-UHFFFAOYSA-N 747.122 6.250 50 20 KKGD COc1ccc([C@H](c2cc(OC)c(OC)cc2P(c2ccccc2)c2ccccc2)N(C)[S@@](=O)C(C)(C)C)cc1 2080751905 XZIIIQZBOIATGK-DVYFPZHKSA-N 575.711 5.954 50 20 KKGD N#CCCn1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO[C@H]2c2ccccc2)c(-c2ccc(Cl)cc2)n1 920230981 BKVMNLTVQXHODT-UHEIARDZSA-N 500.002 5.308 50 20 KKGD C[C@@H]1C[C@@H](C)Oc2cccc(P(c3ccccc3)c3ccccc3)c2-c2c(cccc2P(c2ccccc2)c2ccccc2)O1 137928769 LFTYQEBATLFANJ-FIRIVFDPSA-N 622.685 7.808 50 20 KKGD CC1(C)CO[C@H]([C@H](O[Si](C)(C)C)[P@](=O)(c2ccccc2)[C@@H](O[Si](C)(C)C)[C@H]2COC(C)(C)O2)O1 169892953 YWLMONLNWMCIIO-YGIHALQMSA-N 530.747 5.333 50 20 KKGD Cc1ccc(N2c3ccc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)c5nsnc45)cc3[C@H]3CCC[C@@H]32)cc1 2332241004 RMHMULLPFDLMEB-AUWFBWSISA-N 560.704 8.175 50 20 KKGD Cc1cc(C)cc(P(c2cc(C)cc(C)c2)c2cc3c(c(-c4c(P(c5cc(C)cc(C)c5)c5cc(C)cc(C)c5)ccc5c4OC(C)(C)O5)c2)OC(C)(C)O3)c1 1857776050 NSISKDBWKFFHPY-UHFFFAOYSA-N 778.910 10.352 50 20 KKGD CCCC[C@H](CC)Cn1c(=O)c2cc(N(CCCl)CCCl)c3c(=O)n(C[C@H](CC)CCCC)c(=O)c4cc(N(CCCl)CCCl)c(c1=O)c2c43 1848350123 LRUXMVDNEMWZLW-WMPKNSHKSA-N 770.670 8.066 50 20 KKGD CCCCCCCCn1nc2c(-c3ccc4c(c3)[C@@H]3CCC[C@H]3N4c3ccc(C)cc3)ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)c2n1 2332240971 KWGXGHUFZVZNNT-AWKZGAOTSA-N 655.868 10.275 50 20 KKGD CC1(C)c2cccc([C@@H](N[S@](=O)C(C)(C)C)[C@]34C[C@H]5C[C@@H](C[C@@H](C5)C3)C4)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21 2088639942 DDAVVJQEEHFBRU-PIWRCXADSA-N 661.892 9.186 50 20 KKGD CO[C@@H]1O[C@H](CI)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1 381101410 ZONZORQBUQHJKK-CRWBFSFISA-N 574.455 5.549 50 20 KKGD COc1cc([C@@H](N[S@@](=O)C(C)(C)C)c2cc(C(C)(C)C)c(OC)c(C(C)(C)C)c2)c(P(c2ccccc2)c2ccccc2)cc1OC 2080745461 OQAYJVXDXWZFGS-CLDQVZFJSA-N 673.900 8.207 50 20 KKGD CO[C@@H]1O[C@H](CI)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 381101415 ZONZORQBUQHJKK-YTZCDUBRSA-N 574.455 5.549 50 20 KKGD CC(C)(C)[Si](C)(C)OCCC[C@@H]1O[C@@H](CCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@@H]1O 585164640 AEVTUUAMJSEPGM-NSGJQZOKSA-N 556.936 6.664 50 20 KKGD CC(C)C[Si@]12O[Si@@]3(CCCO)O[Si@@]4(CC(C)C)O[Si@@]5(CC(C)C)O[Si@@](CC(C)C)(O[Si@@](CC(C)C)(O1)O3)O[Si@](CC(C)C)(O5)O[Si@](CC(C)C)(O2)O4 1857791261 RFZPOKIOHCDFHK-UFZAVCIASA-N 875.576 7.739 50 20 KKGD COC(=O)c1c(CBr)c(-c2cccc(C(F)(F)F)c2)nc2cc(Br)ccc12 1503886537 KPLNRSNJWLETOB-UHFFFAOYSA-N 503.112 6.365 50 20 KKGD C[Si](C)(C)c1ccccc1[C@H](O)c1ccc2ccccc2c1-c1c(O)c(P(c2ccccc2)c2ccccc2)cc2ccccc12 2382215342 RFPFQIYLMYEHJV-RWYGWLOXSA-N 632.816 8.751 50 20 KKGD N#CC(=Cc1ccc2c(c1)[C@H]1CCC[C@H]1N2c1ccc(C=C(c2ccccc2)c2ccccc2)cc1)C(=O)O 1857795565 GOTRYMLNXIJMCB-LXANVCGNSA-N 508.621 8.055 50 20 KKGD c1ccc([C@H]2COC(c3ccccc3P(c3ccccc3)c3ccccc3C3=N[C@@H](c4ccccc4)CO3)=N2)cc1 2332241241 RMUAXNNRJVEFSH-ROJLCIKYSA-N 552.614 6.481 50 20 KKGD CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)CCl 1911936386 FMVZKAPHORZAMF-QHCPKHFHSA-N 501.023 5.397 50 20 KKGD CC(C)C(C)(C)[Si](C)(C)OC(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H]1CC(F)(F)CN1 2332241226 JYVHRQYZGJUCPB-QFIPXVFZSA-N 703.631 10.661 50 20 KKGD C[C@H](C[C@@H](C)P(c1ccc(F)cc1)c1ccc(F)cc1)P(c1ccc(F)cc1)c1ccc(F)cc1 2332240938 CQBBQRJNWZRFTB-NHCUHLMSSA-N 512.467 6.976 50 20 KKGD CC(C)C[Si@]12O[Si@@]3(CC(C)C)O[Si@@]4(CCCO)O[Si@](CC(C)C)(O1)O[Si@]1(CC(C)C)O[Si@](CC(C)C)(O2)O[Si@@](CC(C)C)(O1)O[Si@@](CC(C)C)(O3)O4 1857791259 RFZPOKIOHCDFHK-PBARZEIMSA-N 875.576 7.739 50 20 KKGD COCC(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C(\C)[C@H](C[C@@H]1CC[C@@H](C)[C@](O)(C(=O)C(=O)N2CCCC[C@@H]2C(=O)O[C@H](CC(=O)[C@H](C)/C=C(\C)C=O)[C@@H](C)C[C@@H]2CC[C@@H](OCCO)[C@H](OC)C2)O1)OC 2048528867 IWYZQBWTMLODNQ-USUKMTBYSA-N 958.240 6.653 50 20 KKGD CC(C)(C)c1cc(P(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2cccc3c2[C@@]2(CCc4cccc(NCC5=NC[C@H](c6ccccc6)O5)c42)CC3)cc(C(C)(C)C)c1 2332241238 OSVOOBNXVDUSLR-QAVWLLISSA-N 803.128 12.395 50 20 KKGD COc1ccc2nc(-n3cc(C)c(=O)c(C)c3CSSCc3c(C)c(=O)c(C)cn3-c3nc4ccc(OC)cc4[nH]3)[nH]c2c1 213644320 SUJMLWPCHRDDLG-UHFFFAOYSA-N 628.780 6.073 50 20 KKGD CC(C)C[Si@]1(O)O[Si@@]2(CC(C)C)O[Si@]3(CC(C)C)O[Si@](O)(CC(C)C)O[Si@@]4(CC(C)C)O[Si@@](CC(C)C)(O1)O[Si@](CC(C)C)(O2)O[Si@](CC(C)C)(O3)O4 2332241039 ZJILJEYGMBWQKZ-RZVJIYRVSA-N 891.619 7.967 50 20 KKGD c1ccc(-c2c(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)c(C3CC3)nc3ccccc23)cc1 2048529113 ISQXLWFSGZLBKQ-UHFFFAOYSA-N 520.636 8.273 50 20 KKGD CCC1(CC)c2cc(-c3ccc(/C=C(\C#N)C(=O)O)s3)ccc2-c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc21 261508003 OSKDEENVIKVJFO-BYNJWEBRSA-N 616.786 11.116 50 20 KKGD N#CCCn1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO[C@@H]2c2ccccc2)c(-c2ccc(Cl)cc2)n1 920230979 BKVMNLTVQXHODT-LWSAJPHLSA-N 500.002 5.308 50 20 KKGD Cc1ccc([S@](=O)[C@H](c2ccccc2)[C@@H](NC(=O)c2ccccc2P(c2ccccc2)c2ccccc2)c2ccccc2)cc1 2048541361 WFKQJVVOPKNLGI-MPGVBGQMSA-N 623.758 7.773 50 20 KKGD O=P(c1ccccc1)(c1ccccc1)c1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2N(c2ccccc2)c2ccccc21 2332240630 DYTOHAUMSPVUJE-UHFFFAOYSA-N 607.693 9.472 50 20 KKGD c1ccc([C@@H]2COC(c3ccccc3P(c3ccccc3)c3ccccc3C3=N[C@H](c4ccccc4)CO3)=N2)cc1 1988182132 RMUAXNNRJVEFSH-ACHIHNKUSA-N 552.614 6.481 50 20 KKGD c1ccc([C@@H]2N=C(c3cc(-c4c(P(c5ccccc5)c5ccccc5)ccc5ccccc45)c4ccccc4c3)O[C@@H]2c2ccccc2)cc1 1988187991 FXSZDYRCVBCCEJ-CRCOQUFZSA-N 659.769 10.678 50 20 KKGD C=CC[C@H](OC(=O)OC(C)(C)C)c1ccc(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1 584907123 HSVSHKLYEWZZQI-LJAQVGFWSA-N 516.754 7.332 50 20 KKGD Cc1ccc(P(c2ccc(C)cc2)c2c(-c3ccc4ccccc4c3P(c3ccc(C)cc3)c3ccc(C)cc3)ccc3ccccc23)cc1 197478321 DLUDEMIAXOKBHT-UHFFFAOYSA-N 678.796 10.410 50 20 KKGD c1ccc(P(c2ccccc2)c2ccc3cc2-c2cc(ccc2P(c2ccccc2)c2ccccc2)OCCCCCCCCCCCCO3)cc1 1848350054 LDCLIRKXVKCMPK-UHFFFAOYSA-N 720.874 10.542 50 20 KKGD Oc1cc(OCCCCCCBr)ccc1C=NN=Cc1ccc(OCCCCCCBr)cc1O 2113934074 MZVCUGYLMRBZEC-UHFFFAOYSA-N 598.376 7.219 50 20 KKGD O=P(c1ccccc1)(c1ccccc1)c1ccc(-n2c3ccccc3c3cc(P(=O)(c4ccccc4)c4ccccc4)ccc32)cc1 97972182 SLYUKEJWEOFDHR-UHFFFAOYSA-N 643.663 8.063 50 20 KKGD Cn1c2ccc(P(c3ccccc3)c3ccccc3)cc2c2cc(P(c3ccccc3)c3ccccc3)ccc21 1857776110 YYSBLYAOKRCSCC-UHFFFAOYSA-N 549.594 6.848 50 20 KKGD CC(C)(C)[C@H]1N=C(c2ccccc2P(c2ccccc2)c2ccccc2)OC1(c1ccccc1)c1ccccc1 211086101 DTAFKIBAGPGWHR-PGUFJCEWSA-N 539.659 7.580 50 20 KKGD CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)c1nc(B2OC(C)(C)C(C)(C)O2)cs1 1690107133 UBOLPAQEVRFMBT-UHFFFAOYSA-N 541.476 5.271 50 20 KKGD COc1cc(OC)c(SSC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c(OC)c1 1857777136 GADCBXMSWHDNAU-QFIPXVFZSA-N 541.647 5.445 50 20 KKGD CC1(C)O[C@@H]2[C@@H](O1)C(c1ccccc1)(c1ccccc1)OP(Oc1c(-c3ccccc3)cccc1P(c1ccccc1)c1ccccc1)OC2(c1ccccc1)c1ccccc1 198072792 OQTZCNLBVJLGQD-YWSWRHJRSA-N 848.916 12.172 50 20 KKGD C=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](OCCCO[Si](C)(C)C(C)(C)C)[C@H](C/C(I)=C/CO)O[Si](C)(C)C(C)(C)C 2048528764 QZHYEJHORRCWSB-BUPUMALNSA-N 714.991 9.452 50 20 KKGD Cc1cc(C)cc(P(c2cc(C)cc(C)c2)c2ccccc2CN(Cc2ccccc2P(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)[C@@H]2CCCC[C@@H]2N)c1 215765928 JGZZEPZYYHSWHV-LOYCUKJKSA-N 775.014 9.942 50 20 KKGD O=C(C[C@H]1CCc2cc(Br)ccc21)NCCSSCCNC(=O)C[C@H]1CCc2cc(Br)ccc21 2088600138 FWLUXXSTLLTKDG-WOJBJXKFSA-N 626.480 6.365 50 20 KKGD CC(C)(C)c1cc(P(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2cccc3c2[C@]2(CCc4cccc(NCc5cc(C(C)(C)C)ccn5)c42)CC3)cc(C(C)(C)C)c1 642771983 BFIOXLQKHYHIIN-KZRJWCEASA-N 791.161 13.118 50 20 KKGD N#CC(=Cc1ccc2c(c1)[C@H]1CCC[C@@H]1N2c1ccc(C=C(c2ccccc2)c2ccccc2)cc1)C(=O)O 1857795566 GOTRYMLNXIJMCB-NDKRRWIDSA-N 508.621 8.055 50 20 KKGD c1ccc(P(c2ccccc2C2=N[C@H](C3CCCCC3)CO2)c2ccccc2C2=N[C@H](C3CCCCC3)CO2)cc1 1988182134 UNNXTSKUSPPYLJ-ACHIHNKUSA-N 564.710 6.896 50 20 KKGD c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(C3CCCCC3)C3CCCCC3)ccc3ccccc23)cc1 201773037 KPDBBGWGOOUYEW-UHFFFAOYSA-N 634.784 11.191 50 20 KKGD c1ccc(C[C@H]2COC(c3ccccc3P(c3ccccc3)c3ccccc3C3=N[C@@H](Cc4ccccc4)CO3)=N2)cc1 2332241218 HSRGLAMKLMUNJI-CONSDPRKSA-N 580.668 6.221 50 20 KKGD CC(C)c1ccccc1[C@H](N[S@](=O)C(C)(C)C)c1cccc2c1Oc1c(P(c3ccccc3)c3ccccc3)cccc1C2(C)C 2088642690 HLCGCTJKCBJSHJ-MPTYDQAPSA-N 645.849 9.141 50 20 KKGD O=C(NC[C@@H]1CCN(c2ccc(Cl)cc2)C1)NNC(=O)c1cc(-c2ccccc2)nc2ccccc12 921244378 AWNOMELEPZTMQV-IBGZPJMESA-N 500.002 5.026 50 20 KKGD Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1/C=C(\C#N)C(=O)Nc1ccc(C(F)(F)F)cc1Cl 2088596045 YKTMAEGSAVVLCY-KPKJPENVSA-N 533.259 7.071 50 20 KKGD O=C(C[C@@H]1CCc2cc(Br)ccc21)NCCSSCCNC(=O)C[C@H]1CCc2cc(Br)ccc21 2088600136 FWLUXXSTLLTKDG-BGYRXZFFSA-N 626.480 6.365 50 20 KKGD CCO[Si](OCC)(OCC)c1ccc2c(c1)c(-c1c(C)cc(C)cc1C)c1cc([Si](OCC)(OCC)OCC)ccc1[n+]2C 1857776047 MIXRHMJIJGNZCP-UHFFFAOYSA-N 636.958 5.921 50 20 KKGD c1ccc(P(c2ccccc2)c2ccc3oc4c5c(ccc4c3c2)C2(c3ccccc3-c3ccccc32)c2ccccc2-5)cc1 584649666 HBVWASZPOJMHKN-UHFFFAOYSA-N 590.662 9.688 50 20 KKGD CC(C)(C)OC(=O)N1C[C@@H](CCc2c(F)cncc2NC(=O)OCc2ccccc2)OC[C@H]1CO[Si](C)(C)C(C)(C)C 725326829 ZGXUGAJSQOEICI-BJKOFHAPSA-N 603.808 6.928 50 20 KKGD CO[C@@H]1O[C@H](CI)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 137696268 ZONZORQBUQHJKK-QBROEMLDSA-N 574.455 5.549 50 20 KKGD C[C@H]1C[C@@H](C)Oc2cccc(P(c3ccccc3)c3ccccc3)c2-c2c(cccc2P(c2ccccc2)c2ccccc2)O1 145054684 LFTYQEBATLFANJ-QRRGNZNSSA-N 622.685 7.808 50 20 KKGD CO[C@@H]1O[C@H](CI)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 381101414 ZONZORQBUQHJKK-VNGQLYDISA-N 574.455 5.549 50 20 KKGD CN(C)c1cccc(-c2ccccc2)c1-c1c(-c2ccccc2)cccc1P(c1ccccc1)c1ccccc1 642814235 ROPKWCXZJWSNPR-UHFFFAOYSA-N 533.655 8.512 50 20 KKGD CC(C)[C@@H]1N=C(c2ccccc2P(c2ccccc2)c2ccccc2)OC1(c1ccc2ccccc2c1)c1ccc2ccccc2c1 2048541355 TWWAISZVKJKABQ-WBCKFURZSA-N 625.752 9.496 50 20 KKGD COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 306120858 WBXYUFMFVHCXRR-QSYCCZFCSA-N 683.882 6.083 50 20 KKGD c1ccc([C@@H]2OC(c3ccccc3-c3ccccc3P(c3ccccc3)c3ccccc3)=N[C@@H]2c2ccccc2)cc1 1988188087 RFWFGOSVSOFSJR-AMAPPZPBSA-N 559.649 8.371 50 20 KKGD CC1=C[C@@H]([C@]2(c3cc(C)c(O)c(Br)c3C)OS(=O)(=O)c3ccccc32)[C@@H](C)[C@H](Br)[C@@H]1O 1857788258 JHWIBPVPGLHJHA-SDBRSXMQSA-N 572.315 5.071 50 20 KKGD O=P(c1ccccc1)(c1ccccc1)c1ccc2c3ccc(P(=O)(c4ccccc4)c4ccccc4)cc3n(-c3ccccc3)c2c1 221243912 GOOJXIXLPNPOQI-UHFFFAOYSA-N 643.663 8.063 50 20 KKGD O=C(C[C@@H]1CCc2cc(Br)ccc21)NCCSSCCNC(=O)C[C@@H]1CCc2cc(Br)ccc21 2088600137 FWLUXXSTLLTKDG-PMACEKPBSA-N 626.480 6.365 50 20 KKGD N[C@@H]1CCCC[C@H]1N(Cc1ccccc1P(c1ccccc1)c1ccccc1)Cc1ccccc1P(c1ccccc1)c1ccccc1 215766085 GEZITKLHMKZYMH-NCRNUEESSA-N 662.798 7.475 50 20 KKGD CC(C)(C)[Si](C)(C)Oc1ccc([C@@H](Nc2ccc(F)cc2)[C@@H](CC[C@H](O[Si](C)(C)C(C)(C)C)c2ccc(F)cc2)C(=O)N2C(=O)OC[C@@H]2c2ccccc2)cc1 2048529175 NEXZCJWBWJHWQN-PRURZLHWSA-N 801.136 12.382 50 20 KKGD CC(C)(C)[Si](OCCC[C@H](O)C[C@H](O)[C@H](Cl)CCCOCc1ccccc1)(c1ccccc1)c1ccccc1 585164670 DWJMTSOGEWXIBG-YXQUNVLPSA-N 569.258 6.060 50 20 KKGD COc1c(C(C)(C)C)cc(-c2ccccc2[C@H](CP(c2ccccc2)c2ccccc2)N[S@](=O)C(C)(C)C)cc1C(C)(C)C 2048541360 VXLTVDIYSIOQSB-PSLXYLBZSA-N 627.875 9.183 50 20 KKGD c1ccc([C@@H]2OC([C@@H]3Cc4ccccc4CN3P(c3ccccc3)c3ccccc3)=N[C@@H]2c2ccccc2)cc1 1988188029 KMAGVECZTDMKCR-XFQWPLCWSA-N 538.631 7.373 50 20 KKGD COc1cc2nccc(Oc3ccc(NC(=O)[C@@H](CCCl)C(=O)Nc4ccc(F)cc4)cc3)c2cc1OC 2048532489 VQWHBWXLWFHDMC-NRFANRHFSA-N 537.975 6.006 50 20 KKGD CO[C@H]1O[C@H](CI)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 100454006 ZONZORQBUQHJKK-DFLSAPQXSA-N 574.455 5.549 50 20 KKGD Cc1cc(P(c2ccccc2)c2ccccc2)c2c(c1)C(C)(C)CC21CC(C)(C)c2cc(C)cc(P(c3ccccc3)c3ccccc3)c21 2382215555 FFLMAJCQVAUMES-UHFFFAOYSA-N 672.833 9.469 50 20 KKGD c1ccc([C@@H]2N=C(c3ccc4cccc(P(c5ccccc5)c5ccccc5)c4n3)O[C@@H]2c2ccccc2)cc1 1988188033 LABODOCTNNMGEF-OIDHKYIRSA-N 534.599 7.252 50 20 KKGD O=P(c1ccccc1)(c1ccccc1)c1ccc2c(c1)C(c1ccccc1)(c1ccc(N(c3ccccc3)c3ccccc3)cc1)c1cc(P(=O)(c3ccccc3)c3ccccc3)ccc1-2 2332240741 QLOHGLUQYVJBPX-UHFFFAOYSA-N 885.984 12.798 50 20 KKGD c1ccc([C@@H]2COC(c3cc(-c4c(P(c5ccccc5)c5ccccc5)ccc5ccccc45)c4ccccc4c3)=N2)cc1 1988188145 YDKDUCTZCZKIQY-LHEWISCISA-N 583.671 8.936 50 20 KKGD C=CC(=O)N(c1ccc(S(F)(F)(F)(F)F)cc1)[C@H](C(=O)Nc1ccc(OC)cc1C)c1cccnc1 1887511964 AIKFNDSDLNXYFQ-QHCPKHFHSA-N 527.515 6.955 50 20 KKGD Cc1ccc(P(=O)(c2ccc(C)cc2)c2ccc3c(c2-c2c(N(C)C)ccc4c2CCCC4)CCCC3)cc1 642813944 GWEGGYKLYJEIKD-UHFFFAOYSA-N 533.696 7.433 50 20 KKGD COc1cccc(P(c2ccccc2)c2ccccc2)c1-c1c(OC)cccc1P(=O)(c1ccccc1)c1ccccc1 224705543 AOTRBKWHTYJHBR-UHFFFAOYSA-N 598.619 6.768 50 20 KKGD CC1(C)OB(c2ccc(NC(=O)CSSCC(=O)Oc3ccc4c(c3)Oc3cc(O)ccc3[C@]43OC(=O)c4ccccc43)cc2)OC1(C)C 261506995 DHQGXNQXMSEJBX-BHVANESWSA-N 697.596 6.185 50 20 KKGD CC1(C)OB(c2ccc3c4ccc(B5OC(C)(C)C(C)(C)O5)cc4n(CCCCCCBr)c3c2)OC1(C)C 2113930913 HETQMQMNLSEZPU-UHFFFAOYSA-N 582.197 6.348 50 20 KKGD O=P(c1ccccc1)(c1ccccc1)c1ccc2c(c1)c1ccccc1n2-c1cccc(-n2c3ccccc3c3ccccc32)c1 220903836 WCHVVGQFMSTMGP-UHFFFAOYSA-N 608.681 9.520 50 20 KKGD CCCCc1c(-c2ccc(C=C(C#N)C#N)s2)sc(-c2ccc(C=C(C#N)C#N)s2)c1CCCC 2332240937 CFSHLHSKFWMTSS-UHFFFAOYSA-N 512.729 8.751 50 20 KKGD C[C@H](C[C@@H](C)P(c1ccc(OC(C)(C)C)cc1)c1ccc(OC(C)(C)C)cc1)P(c1ccc(OC(C)(C)C)cc1)c1ccc(OC(C)(C)C)cc1 2332240968 KBUTUQIEAZOTMR-CZNDPXEESA-N 728.935 11.129 50 20 KKGD CCCCCCCCn1nc2c(-c3ccc4c(c3)[C@H]3CCC[C@@H]3N4c3ccc(C)cc3)ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)c2n1 2332240974 KWGXGHUFZVZNNT-REHJQDKFSA-N 655.868 10.275 50 20 KKGD CN(C)c1ccc2c(c1-c1c(P(=O)(c3ccccc3)c3ccccc3)ccc3c1CCCC3)CCCC2 642813994 KVKHWKRMOZYYLY-UHFFFAOYSA-N 505.642 6.817 50 20 KKGD CC(C)[C@H]1COC(c2cc(-c3c(P(c4ccccc4)c4ccccc4)ccc4ccccc34)c3ccccc3c2)=N1 1988188021 JZGPXEGMJMDHLC-PGUFJCEWSA-N 549.654 8.220 50 20 KKGD CC(C)C[Si@]12O[Si@@]3(CC(C)C)O[Si@]4(CC(C)C)O[Si@]5(CC(C)C)O[Si@@](CC(C)C)(O1)O[Si@@](CC(C)C)(O2)O[Si@@](CC(C)C)(O3)O[Si@](CCCO)(O4)O5 1857791260 RFZPOKIOHCDFHK-UBIKIDPJSA-N 875.576 7.739 50 20 KKGD O=C(N[C@H](CP(c1ccccc1)c1ccccc1)c1ccccc1-c1c2ccccc2cc2ccccc12)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 2088617602 AJGNHZZHDMJRLU-LDLOPFEMSA-N 721.681 11.302 50 20 KKGD C[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H](CP(c1ccccc1)c1ccccc1)NC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 2332241203 ATKPUAUSMAQLLP-WLMPYFOXSA-N 782.907 9.477 50 20 KKGD C1=CC2=CC=C(c3cccc4ccccc34)N(p3oc4ccc5ccccc5c4c4c(ccc5ccccc54)o3)[C@@H]2C(P(c2ccccc2)c2ccccc2)=C1 642813635 AMYLQJFBASWRGG-XHIZWQFQSA-N 755.794 13.624 50 20 KKGD c1ccc(P(C2=C(C3=C(P(c4ccccc4)c4ccccc4)C4c5ccccc5C3c3ccccc34)C3c4ccccc4C2c2ccccc23)c2ccccc2)cc1 169674847 OAISBKXGGDIWHC-UHFFFAOYSA-N 774.884 12.342 50 20 KKGD COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(O)nc(NC(C)=O)nc43)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 575432284 DGDYJRDKFZTURB-CAOYMVPDSA-N 942.140 9.465 50 20 KKGD c1ccc([C@@H]2OC(c3ccc4cccc(P(c5ccccc5)c5ccccc5)c4n3)=N[C@@H]2c2ccccc2)cc1 1988188032 LABODOCTNNMGEF-GPOMZPHUSA-N 534.599 7.252 50 20 KKGD CC[Si](CC)(CC)O[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@H]2[C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@@H]4OC(c5ccccc5)=N[C@H]4c4ccccc4)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]12C)C3(C)C 328578088 ZAXCJOQYACAQIY-RGZLSWIJSA-N 950.167 7.820 50 20 KKGD CC(C)C[Si@]1(O)O[Si@]2(CC(C)C)O[Si@]3(CC(C)C)O[Si@@]4(CC(C)C)O[Si@@](CC(C)C)(O[Si@@](O)(CC(C)C)O[Si@](CC(C)C)(O2)O4)O[Si@@](CC(C)C)(O1)O3 2332241038 ZJILJEYGMBWQKZ-QIIVLOFISA-N 891.619 7.967 50 20 KKGD C=C1[C@H](O)C[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1 199393918 IWBOGWSNSAKETH-UHULTCERSA-N 624.897 7.877 50 20 KKGD N#CCCn1cc(/C=C(/C#N)C(=O)NC[C@@H]2CCCO[C@@H]2c2ccccc2)c(-c2ccc(Cl)cc2)n1 920230978 BKVMNLTVQXHODT-DLNIXPPWSA-N 500.002 5.308 50 20 KKGD Cc1ccc(N2c3ccc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)c5nc(-c6ccccc6)c(-c6ccccc6)nc45)cc3[C@@H]3CCC[C@H]32)cc1 2332240704 GOVFYRIVMTYTDY-BJOCIEKTSA-N 706.871 11.447 50 20 KKGD Cc1cc(C)cc(P(c2cc(C)cc(C)c2)c2ccc3ccccc3c2-c2c(N(C)C)ccc3ccccc23)c1 2048541365 YRHRIKDJEBSTHT-UHFFFAOYSA-N 537.687 8.718 50 20 KKGD Cc1ccc(P(c2ccc(C)cc2)c2ccc3ccccc3c2-c2c(P(=O)(c3ccc(C)cc3)c3ccc(C)cc3)ccc3ccccc23)cc1 2049614531 WTNWXLRZYCXLRN-UHFFFAOYSA-N 694.795 10.291 50 20 KKGD COc1cc(C(=O)N2C=C(C)C[C@H]2CO[Si](C)(C)C(C)(C)C)c(N)cc1O[Si](C(C)C)(C(C)C)C(C)C 217582100 PNAPUHFITKUSOA-QHCPKHFHSA-N 548.917 7.972 50 20 KKGD N#CCCn1cc(/C=C(/C#N)C(=O)NCc2ccccc2OC2CCCC2)c(-c2ccc(Cl)cc2)n1 916506986 NHIIWUGRUJIFRL-JWGURIENSA-N 500.002 5.662 50 20 KKGD