smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1c(C#C[Si](C)(C)C)c(C)c(OS(=O)(=O)F)c(C)c1CN1CCN(C(=O)OC(C)(C)C)CC1 1887579220 NBDDKAUEHJAZCX-UHFFFAOYSA-N 512.720 4.487 70 10 KIIE F[B-](F)(F)COc1c(I)cc(I)cc1I 203447636 CWBMCHGOAGFGGK-UHFFFAOYSA-N 552.626 4.266 70 10 KIIE CC(=O)OC[C@@H]1O[C@H](OC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)Oc2c(F)c(F)c(F)c(F)c2F)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 2037814076 KUKBSKMEOGXYAV-VSPGUNHYSA-N 823.673 4.295 70 10 KIIE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC(S(=O)(=O)F)CC1 2060814840 PZVWOSSLPYWWKV-BXKMTCNYSA-N 502.608 4.230 70 10 KIIE CC(=O)OC[C@H]1O[C@@H](OC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)Oc2c(F)c(F)c(F)c(F)c2F)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 2037814074 KUKBSKMEOGXYAV-OAYYNRMVSA-N 823.673 4.295 70 10 KIIE CC(=O)N[C@H]1[C@@H](O[C@H](C)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)Oc2c(F)c(F)c(F)c(F)c2F)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 2037796013 HMOUZZVBDIFIRS-RFOYLNTJSA-N 836.716 4.256 70 10 KIIE O=C(O)c1cc(OS(=O)(=O)F)cc(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c1 1887520711 DSGZYHVYILIHRC-UHFFFAOYSA-N 526.542 4.049 70 10 KIIE C[C@@]1([B-](F)(F)F)CCN(C(=O)c2cc(I)cc(I)c2O)C1 2368348656 KLUVTJCPGRSLQL-GFCCVEGCSA-N 523.847 4.055 70 10 KIIE CC(=O)OC[C@H]1O[C@@H](OC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)Oc2c(F)c(F)c(F)c(F)c2F)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 2037814068 KUKBSKMEOGXYAV-CZPDWXQPSA-N 823.673 4.295 70 10 KIIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 216654196 BZYWAIKUBNQGOI-QHCPKHFHSA-N 515.566 4.139 70 10 KIIE COc1ccc([C@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4C[C@@H]([C@H]5C(=O)N(c6ccccc6)C(=O)[C@H]45)[C@H]23)cc1OC 217376878 LPZTXLUJQRVZSS-NHCVWDHBSA-N 520.632 4.132 70 10 KIIE O=Cc1cc(OS(=O)(=O)F)cc(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c1 1887514491 HVYJBFIERIWDQZ-UHFFFAOYSA-N 510.543 4.163 70 10 KIIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)c2ccc3c(c2)C(=O)N(CCCOC)C3=O)cc1 216652704 YRQRVUAHZNELIE-UHFFFAOYSA-N 559.575 4.037 70 10 KIIE CC(=O)CC(=O)CCc1ccc(NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)Oc2c(F)c(F)c(F)c(F)c2F)cc1 1857791825 WNVSRPPWUMFEFT-UHFFFAOYSA-N 955.961 4.370 70 10 KIIE O=C(COCCOCCNC(=O)OCC1c2ccccc2-c2ccccc21)NCCOCCOCC(=O)Oc1c(F)c(F)c(F)c(F)c1F 159967322 WYHUDGSTCFQFQS-UHFFFAOYSA-N 696.622 4.009 70 10 KIIE CC(=O)OC[C@H]1O[C@H](OC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)Oc2c(F)c(F)c(F)c(F)c2F)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 2037814073 KUKBSKMEOGXYAV-KGBCXUBZSA-N 823.673 4.295 70 10 KIIE Cc1c(OS(=O)(=O)F)cc(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc1C(=O)O 1887521274 UHBJFLOHPDOYBJ-UHFFFAOYSA-N 540.569 4.357 70 10 KIIE Cc1c(OS(=O)(=O)F)c(C)c(N2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1C(=O)OC(C)(C)C 1887515330 FPYJKZMZZVMAHR-UHFFFAOYSA-N 502.605 4.217 70 10 KIIE COC(=O)c1cc(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc(OS(=O)(=O)F)c1C 1887520552 FSAKEPUVRKNKJW-UHFFFAOYSA-N 554.596 4.446 70 10 KIIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)c3ccc4c(c3)C(=O)N(CCCOC)C4=O)c2)cc1 216678234 VTIPRSCXNAZWBK-UHFFFAOYSA-N 559.575 4.037 70 10 KIIE CC1(C)Cc2cc(/C(=N/NC(=O)C(F)(F)F)c3ccc(OS(=O)(=O)C(F)(F)F)cc3)ccc2O1 1616046098 GJKQKAXEDJPMPA-JVWAILMASA-N 510.412 4.059 70 10 KIIE COC(=O)c1cc(OS(=O)(=O)F)cc(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c1 1887514505 JLDYJVLVHQCYRT-UHFFFAOYSA-N 540.569 4.137 70 10 KIIE Cc1c(N)cc(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc1CS(=O)(=O)F 1887577560 VIAXXSNTLOINMJ-UHFFFAOYSA-N 509.603 4.448 70 10 KIIE CCOC(=O)/C(=N/Nc1ccc(OC)cc1)C(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1 103645494 RYVBOCDXYXTWCG-KKYHWDRJSA-N 524.557 4.392 70 10 KIIE COc1ccc2c(c1)c(CC(=O)NC(=O)c1ccc(Cl)cc1)c(C)n2C[SiH2]c1cccc(C)c1C 725410007 SIIVQELFLSLBRZ-UHFFFAOYSA-N 505.090 4.179 70 10 KIIE CC(=O)OC[C@@H]1O[C@H](OC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)Oc2c(F)c(F)c(F)c(F)c2F)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 2037814067 KUKBSKMEOGXYAV-CYBRKSKWSA-N 823.673 4.295 70 10 KIIE O=C(c1cc(I)cc(I)c1O)N1CCC[C@H]([B-](F)(F)F)C1 2190463461 XGRJIVXKAFEOBX-ZETCQYMHSA-N 523.847 4.055 70 10 KIIE Cl[Si](Cl)(Cl)/C=C/B1NB(/C=C/[Si](Cl)(Cl)Cl)NB(/C=C/[Si](Cl)(Cl)Cl)N1 256398698 ZEVFIAAHWRALIE-GZDDRBCLSA-N 558.930 4.103 70 10 KIIE C#Cc1cc(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc(S(=O)(=O)F)c1 1887505777 XEOWMXONUQBKLI-UHFFFAOYSA-N 504.583 4.393 70 10 KIIE O=C(OCC1c2ccccc2-c2ccccc21)N1CCN(Cc2cc(OS(=O)(=O)F)cc(S(=O)(=O)F)c2)CC1 1887520435 NYFFGOPVCJCMPH-UHFFFAOYSA-N 578.615 4.005 70 10 KIIE CCOc1cc(C(=O)N2CCC(CNC(=O)c3ccc(OC)c(OC)c3)CC2)cc(OCC)c1OCC 216867971 UZHJPCTWIBIBPH-UHFFFAOYSA-N 514.619 4.182 70 10 KIIE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@@H](S(=O)(=O)F)C1 2257347883 QFIYVLGWBHDTFF-KOSHJBKYSA-N 502.608 4.230 70 10 KIIE CC(=O)OC[C@H]1O[C@H](OC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)Oc2c(F)c(F)c(F)c(F)c2F)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 2037814078 KUKBSKMEOGXYAV-YHSIAFNDSA-N 823.673 4.295 70 10 KIIE CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC(S(=O)(=O)F)CC1 2060814848 PZVWOSSLPYWWKV-OSPHWJPCSA-N 502.608 4.230 70 10 KIIE CC(=O)OC[C@@H]1O[C@@H](OC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)Oc2c(F)c(F)c(F)c(F)c2F)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 2037814071 KUKBSKMEOGXYAV-HUSGGAMTSA-N 823.673 4.295 70 10 KIIE O=C(O)Cc1cc(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc([B-](F)(F)F)c1 1887521982 VFCCCZAEEQQEGC-UHFFFAOYSA-N 509.313 4.439 70 10 KIIE Cc1c(CN)cc(OS(=O)(=O)F)cc1N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1887521465 QPWAWXDBSDVTFM-UHFFFAOYSA-N 525.602 4.118 70 10 KIIE COC(=O)c1cc(OS(=O)(=O)F)cc(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c1C 1887520623 RZNUPRQTJOXWAZ-UHFFFAOYSA-N 554.596 4.446 70 10 KIIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)c3ccc4c(c3)C(=O)N(C(C)C)C4=O)c2)cc1 216677552 XQXXHWCPMMYVPC-UHFFFAOYSA-N 529.549 4.409 70 10 KIIE CC(=O)OC[C@H]1O[C@@H](OC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)Oc2c(F)c(F)c(F)c(F)c2F)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 2037814069 KUKBSKMEOGXYAV-DCKCCVEZSA-N 823.673 4.295 70 10 KIIE CCOC(=O)N/N=C(\c1ccc(OC(F)(F)F)cc1)c1ccc(OS(=O)(=O)C(F)(F)F)cc1 210987631 GTBBYXWASVCTIT-MFKUBSTISA-N 500.373 4.312 70 10 KIIE O=S(=O)(Cl)C=Cc1cc(I)cc(I)c1I 1951518185 JLRUQAMHHRHZHH-UHFFFAOYSA-N 580.350 4.040 70 10 KIIE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@H](S(=O)(=O)F)C1 2257349542 QFIYVLGWBHDTFF-UUOWRZLLSA-N 502.608 4.230 70 10 KIIE O=C(N[C@H](Cc1ccc(OS(=O)(=O)C(F)(F)F)cc1)C(=O)OCc1ccccc1)OCc1ccccc1 214704851 CVDJKKOIYOSXFZ-JOCHJYFZSA-N 537.512 4.496 70 10 KIIE Cc1c(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc(N2CCNCC2)c(C)c1OS(=O)(=O)F 1887520615 QXDINEDZSFTGPR-UHFFFAOYSA-N 539.629 4.345 70 10 KIIE CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC(CCS(=O)(=O)F)C1 2079009130 OTIYYELAMDMLEE-OSPHWJPCSA-N 502.608 4.088 70 10 KIIE O=C(Nc1ccc(S(=O)(=O)Cl)c(Br)c1)c1ccc(I)cc1 59082072 CDCZTKHFXNVYLT-UHFFFAOYSA-N 500.539 4.234 70 10 KIIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)c2ccc3c(c2)C(=O)N(C(C)C)C3=O)cc1 216651987 QYCKNLUWDAYNAU-UHFFFAOYSA-N 529.549 4.409 70 10 KIIE Cc1c(CS(=O)(=O)F)cc(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc1OS(=O)(=O)F 1887521065 OCXVDUBWPCDERZ-UHFFFAOYSA-N 592.642 4.459 70 10 KIIE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC(CCS(=O)(=O)F)C1 2257343973 FHIYQRHSHAPXGN-DEOSSOPVSA-N 502.608 4.088 70 10 KIIE O=C(c1cc(I)cc(I)c1O)N1CCC([B-](F)(F)F)CC1 2239522271 DHMLGNSELCBSMP-UHFFFAOYSA-N 523.847 4.055 70 10 KIIE CC(=O)OC[C@H]1O[C@@H](OC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)Oc2c(F)c(F)c(F)c(F)c2F)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 2037814077 KUKBSKMEOGXYAV-WZEREYLZSA-N 823.673 4.295 70 10 KIIE C#Cc1cc(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc(OS(=O)(=O)F)c1 1887514494 ICPZTEGQXOEQSJ-UHFFFAOYSA-N 520.582 4.328 70 10 KIIE O=C(Nc1cc(CN2CCNCC2)cc(OS(=O)(=O)F)c1)OCC1c2ccccc2-c2ccccc21 1887514649 GIGMFQYJSMYOGB-UHFFFAOYSA-N 511.575 4.046 70 10 KIIE Cc1c(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc(OS(=O)(=O)F)cc1S(=O)(=O)F 1887520853 IAHDSMLGGYXRRS-UHFFFAOYSA-N 592.642 4.313 70 10 KIIE Cc1c(CS(=O)(=O)Cl)c(C)c(N2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1B1OC(C)(C)C(C)(C)O1 1887517827 KPEZXKQSJZYGNK-UHFFFAOYSA-N 542.935 4.037 70 10 KIIE O=S(=O)(Cl)c1cc(Br)c(OC[C@@H]2CC2(Br)Br)cc1F 2224806104 LGYJHNXCTISDJA-YFKPBYRVSA-N 501.393 4.401 70 10 KIIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 216648421 ZUZNHRAUFOBVAC-UHFFFAOYSA-N 508.527 4.430 70 10 KIIE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@H](S(=O)(=O)F)C1 2060815247 SJCYRUICDXFMAW-LLJLJFOGSA-N 502.608 4.230 70 10 KIIE Cc1c(C(=O)O)cc(OS(=O)(=O)F)cc1N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1887521178 KBXZJRJIIQAANB-UHFFFAOYSA-N 540.569 4.357 70 10 KIIE CCCCOC(=O)c1ccccc1NC(=O)NCCCN1C(=O)c2ccc(Br)cc2C1=O 217306481 RMVMYEWXUMLBOE-UHFFFAOYSA-N 502.365 4.214 70 10 KIIE Cc1c(CN)cc(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc1OS(=O)(=O)F 1887521338 DILGGFQTJSYEKR-UHFFFAOYSA-N 525.602 4.118 70 10 KIIE C[C@H](CS(=O)(=O)Cl)c1cc(I)cc(I)c1I 1951972571 ZKAAKJLNSAMENJ-RXMQYKEDSA-N 596.393 4.173 70 10 KIIE COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)CCc1cc(Br)ccc1OC(F)F 217920641 NENUZQYMTOOQAM-WBVHZDCISA-N 516.310 4.344 70 10 KIIE COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1S(=O)(=O)c1ccc(Oc2ccccc2OC)cc1 218003645 SFQKEULSACHZSS-GHTZIAJQSA-N 501.532 4.010 70 10 KIIE O=S(=O)(Cl)c1cc(Br)c(OC[C@H]2CC2(Br)Br)cc1F 2224806103 LGYJHNXCTISDJA-RXMQYKEDSA-N 501.393 4.401 70 10 KIIE O=C(CN(c1ccc2ccnc(O)c2c1)S(=O)(=O)c1cccc(S(=O)(=O)F)c1)c1ccc(Br)cc1 1535647560 TWHYKUDDBAOVPE-UHFFFAOYSA-N 579.425 4.439 70 10 KIIE O=C(OCC1c2ccccc2-c2ccccc21)N1CCN(c2cc(CS(=O)(=O)F)cc(OS(=O)(=O)F)c2)CC1 1887521836 JQLMUSQYKTUFLS-UHFFFAOYSA-N 578.615 4.150 70 10 KIIE Cc1c(CN2CCNCC2)cc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1OS(=O)(=O)F 1887521433 MOJVETHRVARARG-UHFFFAOYSA-N 525.602 4.354 70 10 KIIE C[C@@H](CS(=O)(=O)Cl)c1cc(I)cc(I)c1I 1951972572 ZKAAKJLNSAMENJ-YFKPBYRVSA-N 596.393 4.173 70 10 KIIE Cc1c(CN2CCNCC2)cc(S(=O)(=O)F)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 1887505017 UDTSTAKBVDYZGR-UHFFFAOYSA-N 509.603 4.419 70 10 KIIE O=C(Nc1ccc(S(=O)(=O)Cl)cc1Br)c1ccc(I)cc1 59082071 MLYIGUXLEZNTJN-UHFFFAOYSA-N 500.539 4.234 70 10 KIIE O=S(=O)(Cl)CC=Cc1cc(I)cc(I)c1I 1951647269 DCMWXCKPRPDXKF-UHFFFAOYSA-N 594.377 4.082 70 10 KIIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)c3ccc4c(c3)C(=O)N(CCCOC)C4=O)c2)cc1 216678185 HJSVHFKBTRJVMU-UHFFFAOYSA-N 559.575 4.037 70 10 KIIE COc1ccc([C@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4C[C@@H]([C@H]5C(=O)N(c6ccc(F)cc6)C(=O)[C@H]45)[C@H]23)cc1 217380789 UXEDCCLOCCAWJE-SUZJGXHKSA-N 508.596 4.262 70 10 KIIE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC(CCS(=O)(=O)F)C1 2079009131 OTIYYELAMDMLEE-XDHUDOTRSA-N 502.608 4.088 70 10 KIIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)c3ccc4c(c3)C(=O)N(CCCOC)C4=O)cc2)cc1 216626879 MXJCOWSKNWXQLQ-UHFFFAOYSA-N 559.575 4.037 70 10 KIIE COC(=O)c1cc(OS(=O)(=O)F)c(C)c(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c1 1887520524 ABMYIAFFAWUCTL-UHFFFAOYSA-N 554.596 4.446 70 10 KIIE Cc1c(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc(N)cc1OS(=O)(=O)F 1887521442 NLXMKYNZTNGULR-UHFFFAOYSA-N 525.602 4.237 70 10 KIIE COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)CCc1cc(Br)ccc1OC(F)F 217920458 NENUZQYMTOOQAM-RDJZCZTQSA-N 516.310 4.344 70 10 KIIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)c2ccc3c(c2)C(=O)N(C(C)C)C3=O)cc1 216652030 KSIFMCDNYDCNFF-UHFFFAOYSA-N 529.549 4.409 70 10 KIIE Cc1c(I)c(C)c(N2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1CS(=O)(=O)F 1887511133 CRYSYWFBQZSLPQ-UHFFFAOYSA-N 526.412 4.073 70 10 KIIE O=C(N=C(C(=O)N1CCOCC1)C(Cl)=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1 585660738 FNWDRXGIBZOWLB-UHFFFAOYSA-N 555.014 4.489 70 10 KIIE COc1ccc(N(Cc2ccc(OS(=O)(=O)F)cc2)Cc2ccc(OS(=O)(=O)F)cc2)cc1F 2080476370 WSBCXJLZKZNTES-UHFFFAOYSA-N 517.503 4.227 70 10 KIIE Cc1c(CN)cc(OS(=O)(=O)F)c(C)c1N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1887520847 BQCNVSSVSBRJSU-UHFFFAOYSA-N 539.629 4.426 70 10 KIIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)c3ccc4c(c3)C(=O)N(C(C)C)C4=O)c2)cc1 216677504 ZNGNOEGWDCXSEK-UHFFFAOYSA-N 529.549 4.409 70 10 KIIE CCOc1cc([C@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4C[C@@H]([C@H]5C(=O)N(c6ccc(F)cc6)C(=O)[C@H]45)[C@H]23)ccc1O 217381092 OBXMYOSJOVAWBT-NHCVWDHBSA-N 538.622 4.358 70 10 KIIE CC(C)(C)[Si](C)(C)O[C@@H]1CCN(c2ccc(-n3ccc(OS(=O)(=O)C(F)(F)F)cc3=O)cn2)C1 170023070 ZBAVQXJLNAHSQL-QGZVFWFLSA-N 519.618 4.061 70 10 KIIE CCOc1cc([C@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4C[C@@H]([C@H]5C(=O)N(c6ccccc6)C(=O)[C@H]45)[C@H]23)ccc1O 217377524 LFGVLYVBKQSRSC-NHCVWDHBSA-N 520.632 4.219 70 10 KIIE Cc1c(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc(S(=O)(=O)F)cc1OS(=O)(=O)F 1887521236 ZHYIZGMBOIHPDM-UHFFFAOYSA-N 592.642 4.313 70 10 KIIE O=C(OC[C@@H]1O[C@H](Br)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1 137486888 JRRCGOOKGUSEFK-GPJHCHHRSA-N 525.351 4.414 70 10 KIIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 216654318 UICSOYPXQITOBR-QHCPKHFHSA-N 515.566 4.139 70 10 KIIE Cc1c(N)cc(CS(=O)(=O)F)cc1N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1887520453 QKVUKZOEAPGWOT-UHFFFAOYSA-N 509.603 4.448 70 10 KIIE COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1S(=O)(=O)c1ccc(Oc2ccccc2OC)cc1 218003552 SFQKEULSACHZSS-WIYYLYMNSA-N 501.532 4.010 70 10 KIIE Cc1c(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc(OS(=O)(=O)F)c(C)c1N1CCNCC1 1887578304 QDAOLSJPVIBPCU-UHFFFAOYSA-N 539.629 4.345 70 10 KIIE O=S(=O)(F)c1cc(Br)c(OC[C@@]2(Br)CC2(F)F)c(Br)c1 2202510019 GMFWKNAKAMXAOV-VIFPVBQESA-N 502.928 4.421 70 10 KIIE CC(=O)N[C@@H]1[C@@H](O[C@H](C)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)Oc2c(F)c(F)c(F)c(F)c2F)O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 2037796010 HMOUZZVBDIFIRS-AQTBSYPNSA-N 836.716 4.256 70 10 KIIE COCCCN1C(=O)c2ccc(NC(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)cc2C1=O 217280716 UVUXXFMSJDBFDG-UHFFFAOYSA-N 512.610 4.258 70 10 KIIE Cc1c(N)cc(S(=O)(=O)F)cc1CN1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1887577561 VUCFVFMCMSNORV-UHFFFAOYSA-N 509.603 4.302 70 10 KIIE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@@H](S(=O)(=O)F)C1 2060815242 SJCYRUICDXFMAW-HOOSLVGPSA-N 502.608 4.230 70 10 KIIE Cc1c(CS(=O)(=O)F)cc(N)cc1N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1887520390 GVKNALGDGNGSJB-UHFFFAOYSA-N 509.603 4.448 70 10 KIIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)CCCN3C(=O)c4ccccc4C3=O)c2)cc1 216684833 ATXMHYGEGNQNCC-UHFFFAOYSA-N 529.549 4.167 70 10 KIIE Cc1c(CN2CCNCC2)cc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1S(=O)(=O)F 1887520455 QVJZOQJDVUYZDZ-UHFFFAOYSA-N 509.603 4.419 70 10 KIIE CC(=O)OC[C@@H]1O[C@@H](OC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)Oc2c(F)c(F)c(F)c(F)c2F)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 2037814070 KUKBSKMEOGXYAV-GEYXBKQISA-N 823.673 4.295 70 10 KIIE Cc1c(I)c(C)c([B-](F)(F)F)c(C)c1CN1CCN(C(=O)OC(C)(C)C)CC1 1887518061 ZGDNHDXDVYBEMM-UHFFFAOYSA-N 511.155 4.324 70 10 KIIE COc1ccc([C@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4C[C@@H]([C@H]5C(=O)N(c6ccc(F)cc6)C(=O)[C@H]45)[C@H]23)cc1OC 217380490 DJWQZIJRXGOWQG-NHCVWDHBSA-N 538.622 4.271 70 10 KIIE CC(C)(c1cc(I)cc(I)c1I)S(=O)(=O)F 1952350218 LRFRGEVTYBEFQY-UHFFFAOYSA-N 579.938 4.035 70 10 KIIE Cc1c(OS(=O)(=O)F)cc(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc1S(=O)(=O)F 1887506896 JOGYTIFVUVNMRB-UHFFFAOYSA-N 592.642 4.313 70 10 KIIE COc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc4c(c3)C(=O)N(CC(C)C)C4=O)cc2)cc1OC 216898891 LEJGZQPDNKKJNH-UHFFFAOYSA-N 501.539 4.460 70 10 KIIE Cc1c(N)cc(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc1OS(=O)(=O)F 1887521493 TXJJFXCNDFLBJX-UHFFFAOYSA-N 525.602 4.237 70 10 KIIE Cc1c(I)c(C)c(N2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1CS(=O)(=O)Cl 1887517966 UQEDAERYZCHZTH-UHFFFAOYSA-N 542.867 4.342 70 10 KIIE CC(=O)N[C@@H]1[C@@H](O[C@H](C)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)Oc2c(F)c(F)c(F)c(F)c2F)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 2037796011 HMOUZZVBDIFIRS-CJLBHCEFSA-N 836.716 4.256 70 10 KIIE O=C(OCC1c2ccccc2-c2ccccc21)N1CCN(Cc2cc(OS(=O)(=O)F)cc([B-](F)(F)F)c2)CC1 1887520211 JUWUGIUBEYPBFV-UHFFFAOYSA-N 563.358 4.401 70 10 KIIE C[C@]1([B-](F)(F)F)CCN(C(=O)c2cc(I)cc(I)c2O)C1 2368348658 KLUVTJCPGRSLQL-LBPRGKRZSA-N 523.847 4.055 70 10 KIIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)[C@H]3CC(=O)N(Cc4ccccc4)C3)c2)cc1 216679748 OAMUCWBWMKORCD-QHCPKHFHSA-N 515.566 4.139 70 10 KIIE CCOc1cc(C(=O)NCC2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)cc(OCC)c1OCC 216868010 AXIGOEZNUNHEDA-UHFFFAOYSA-N 514.619 4.182 70 10 KIIE C[Si](C)(C)c1cc2cc([Si](C)(C)C)c(OS(=O)(=O)C(F)(F)F)cc2cc1OS(=O)(=O)C(F)(F)F 1857787468 UPVMIHWJKQENFP-UHFFFAOYSA-N 568.662 4.387 70 10 KIIE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@H](S(=O)(=O)F)C1 2257347884 QFIYVLGWBHDTFF-MHECFPHRSA-N 502.608 4.230 70 10 KIIE C[C@@H](c1cc(I)cc(I)c1I)S(=O)(=O)Cl 1951967604 LVSPDCVSYLZSQF-BYPYZUCNSA-N 582.366 4.130 70 10 KIIE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC(S(=O)(=O)F)CC1 2257347097 NYVPMZWOHWPMBT-DEOSSOPVSA-N 502.608 4.230 70 10 KIIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)[C@H]3CC(=O)N(Cc4ccccc4)C3)c2)cc1 216679860 AELBMWWZENPEGJ-QHCPKHFHSA-N 515.566 4.139 70 10 KIIE Cc1c(C=O)cc(OS(=O)(=O)F)cc1N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1887521316 CIJGKASNXUMEES-UHFFFAOYSA-N 524.570 4.472 70 10 KIIE O=C(Nc1ccc(S(=O)(=O)Cl)cc1Br)c1ccccc1I 59075423 FFSCFSUYZWIDNA-UHFFFAOYSA-N 500.539 4.234 70 10 KIIE CCOC(=O)C(=NNc1ccc(OC)cc1)C(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1 254866772 RYVBOCDXYXTWCG-UHFFFAOYSA-N 524.557 4.392 70 10 KIIE Cc1c(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc(OS(=O)(=O)F)cc1N1CCNCC1 1887521354 FDNVWIJKZIZDOX-UHFFFAOYSA-N 525.602 4.036 70 10 KIIE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@H](S(=O)(=O)F)C1 2060815251 SJCYRUICDXFMAW-XFAGBWLFSA-N 502.608 4.230 70 10 KIIE Cc1c(CN)cc(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c(C)c1OS(=O)(=O)F 1887521196 MUOPLRRZIFXQQH-UHFFFAOYSA-N 539.629 4.426 70 10 KIIE C=C(I)COc1c(Br)cc(S(=O)(=O)Cl)cc1Br 2021106406 FQNNKPSIZDKWLH-UHFFFAOYSA-N 516.376 4.467 70 10 KIIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)c2)cc1 216679905 AELBMWWZENPEGJ-HSZRJFAPSA-N 515.566 4.139 70 10 KIIE Cc1c(NC(=O)OCC2c3ccccc3-c3ccccc32)cc(CN2CCNCC2)cc1S(=O)(=O)F 1887520382 GAETTZCLMRTTFT-UHFFFAOYSA-N 509.603 4.419 70 10 KIIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)CCCN3C(=O)c4ccccc4C3=O)c2)cc1 216684771 CKEQTZQUJQOYOT-UHFFFAOYSA-N 529.549 4.167 70 10 KIIE CC(C)(C)c1ccc(OCCCNC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1 217299383 RPOAYEYCEYIXEA-UHFFFAOYSA-N 510.056 4.249 70 10 KIIE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC(S(=O)(=O)F)CC1 2060814851 PZVWOSSLPYWWKV-XDHUDOTRSA-N 502.608 4.230 70 10 KIIE Cc1c(N)cc(OS(=O)(=O)F)cc1CN1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1887521445 NPOHYWXJGLEOIH-UHFFFAOYSA-N 525.602 4.237 70 10 KIIE O=C(c1cc(I)cc(I)c1O)N1CCC[C@@H]([B-](F)(F)F)C1 2190463460 XGRJIVXKAFEOBX-SSDOTTSWSA-N 523.847 4.055 70 10 KIIE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC(CCS(=O)(=O)F)C1 2257345351 FHIYQRHSHAPXGN-DEOSSOPVSA-N 502.608 4.088 70 10 KIIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)CCCN3C(=O)c4ccccc4C3=O)cc2)cc1 216634731 IMKWBKWLSKNLMK-UHFFFAOYSA-N 529.549 4.167 70 10 KIIE Cc1c(OS(=O)(=O)F)cc(CS(=O)(=O)F)cc1N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1887561529 NDTLANPCYXZHMG-UHFFFAOYSA-N 592.642 4.459 70 10 KIIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)cc2)cc1 216628606 GWKNMCJXUHOEQG-HSZRJFAPSA-N 515.566 4.139 70 10 KIIE Cc1c(CS(=O)(=O)F)cc(OS(=O)(=O)F)cc1N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1887521253 ZWNVOLDADNRAES-UHFFFAOYSA-N 592.642 4.459 70 10 KIIE CC(=O)N[C@H]1[C@H](O[C@H](C)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)Oc2c(F)c(F)c(F)c(F)c2F)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 195914829 HMOUZZVBDIFIRS-XNPHIFOMSA-N 836.716 4.256 70 10 KIIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)c2ccc3c(c2)C(=O)N(CCCOC)C3=O)cc1 216652755 CMBFPIPJIIMJDE-UHFFFAOYSA-N 559.575 4.037 70 10 KIIE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC(S(=O)(=O)F)CC1 2257348848 NYVPMZWOHWPMBT-DEOSSOPVSA-N 502.608 4.230 70 10 KIIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)c3cc(OC)c(OC)c(OC)c3)c2)cc1 216673559 GPHVTERWEFVTOR-UHFFFAOYSA-N 508.527 4.430 70 10 KIIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1 216660065 OTVKLESKWCLQRT-UHFFFAOYSA-N 529.549 4.167 70 10 KIIE Cc1c(CN2CCNCC2)cc(OS(=O)(=O)F)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 1887577415 IHTXVHGNXDVYJG-UHFFFAOYSA-N 525.602 4.354 70 10 KIIE O=C(OC[C@@H]1O[C@@H](Br)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1 137321527 JRRCGOOKGUSEFK-MYDTUXCISA-N 525.351 4.414 70 10 KIIE O=S(=O)(Cl)c1cc(O)c2ccc3c(S(=O)(=O)Cl)ccc4c(S(=O)(=O)Cl)cc1c2c34 100545845 DAKHHOHRSHDYCD-UHFFFAOYSA-N 513.785 4.072 70 10 KIIE CC(=O)N[C@H]1[C@@H](O[C@H](C)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)Oc2c(F)c(F)c(F)c(F)c2F)O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 2037796012 HMOUZZVBDIFIRS-IFJFZARNSA-N 836.716 4.256 70 10 KIIE Cc1c(CC(=O)O)cc(OS(=O)(=O)F)cc1N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1887576933 IZXDEYDPWVEWNT-UHFFFAOYSA-N 554.596 4.286 70 10 KIIE O=C(Nc1ccc(S(=O)(=O)Cl)c(Br)c1)c1cccc(I)c1 59082100 VGAHHRPIDSROLY-UHFFFAOYSA-N 500.539 4.234 70 10 KIIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 216654369 UICSOYPXQITOBR-HSZRJFAPSA-N 515.566 4.139 70 10 KIIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)[C@H]3CC(=O)N(Cc4ccccc4)C3)cc2)cc1 216628559 GWKNMCJXUHOEQG-QHCPKHFHSA-N 515.566 4.139 70 10 KIIE Cc1cc(I)ccc1NC(=O)NCCCN1C(=O)c2ccc(Br)cc2C1=O 217306492 QUYWLRJSQGWKGI-UHFFFAOYSA-N 542.171 4.170 70 10 KIIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)[C@H]3CC(=O)N(Cc4ccccc4)C3)cc2)cc1 216628436 QNYRXQLATQBEOP-QHCPKHFHSA-N 515.566 4.139 70 10 KIIE CC(C)(CS(=O)(=O)Cl)c1cc(I)cc(I)c1I 1951972559 ZFQCXJVYWXDRJA-UHFFFAOYSA-N 610.420 4.347 70 10 KIIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 216648373 UYZQPLRUTXKQDU-UHFFFAOYSA-N 508.527 4.430 70 10 KIIE O=C(Nc1ccc(S(=O)(=O)Cl)c(Br)c1)c1ccccc1I 59060094 PLKBQVKJTGRVEK-UHFFFAOYSA-N 500.539 4.234 70 10 KIIE Cc1c(C=O)cc(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc1OS(=O)(=O)F 1887551621 BRWOYCHHZAENMV-UHFFFAOYSA-N 524.570 4.472 70 10 KIIE Br[Si](c1ccccc1)(c1ccccc1)[Si](Br)(c1ccccc1)c1ccccc1 205260014 MRKKOHFJCXIAPG-UHFFFAOYSA-N 524.404 4.374 70 10 KIIE COc1ccc(C(=O)NCCNC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)cc1OC 216863656 GKHPOLLOWCQIHV-UHFFFAOYSA-N 521.452 4.469 70 10 KIIE c1ccc(N2[SiH2]N[Si](c3ccccc3)(c3ccccc3)N(c3ccccc3)[Si]2(c2ccccc2)c2ccccc2)cc1 204998908 XBFKZBHLEWGCAN-UHFFFAOYSA-N 591.939 4.115 70 10 KIIE CC(=O)OC[C@@H]1O[C@@H](OC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)Oc2c(F)c(F)c(F)c(F)c2F)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 2037814075 KUKBSKMEOGXYAV-SWNWSTNRSA-N 823.673 4.295 70 10 KIIE Cc1c(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc(N)cc1S(=O)(=O)F 1887520478 UQDPUKAKMIWPKA-UHFFFAOYSA-N 509.603 4.302 70 10 KIIE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@@H](S(=O)(=O)F)C1 2257349540 QFIYVLGWBHDTFF-KOSHJBKYSA-N 502.608 4.230 70 10 KIIE Cc1c(OS(=O)(=O)F)cc(C=O)cc1N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1887521413 KTLVTNRBNXOMIP-UHFFFAOYSA-N 524.570 4.472 70 10 KIIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 216654248 BZYWAIKUBNQGOI-HSZRJFAPSA-N 515.566 4.139 70 10 KIIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)c3ccc4c(c3)C(=O)N(C(C)C)C4=O)cc2)cc1 216626103 LGJZAFDAXRDWEE-UHFFFAOYSA-N 529.549 4.409 70 10 KIIE C[C@H](c1cc(I)cc(I)c1I)S(=O)(=O)Cl 1951967605 LVSPDCVSYLZSQF-SCSAIBSYSA-N 582.366 4.130 70 10 KIIE Cc1c(OS(=O)(=O)F)cc(C(=O)O)cc1N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1887521201 NALVVCFOECKSIS-UHFFFAOYSA-N 540.569 4.357 70 10 KIIE O=C(CCCC=C(F)F)N/N=C(\c1ccc(OS(=O)(=O)C(F)(F)F)cc1)c1ccc2c(c1)OCO2 1616048293 KJZVSPGWRDGYSM-VFCFBJKWSA-N 520.432 4.463 70 10 KIIE Cc1c(NC(=O)OCC2c3ccccc3-c3ccccc32)cc(CN2CCNCC2)cc1OS(=O)(=O)F 1887521426 LZEXJGPIOKRPGL-UHFFFAOYSA-N 525.602 4.354 70 10 KIIE Cc1c(N)cc(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc1S(=O)(=O)F 1887520440 OWMVCCUOAJJBIY-UHFFFAOYSA-N 509.603 4.302 70 10 KIIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)c3ccc4c(c3)C(=O)N(C(C)C)C4=O)cc2)cc1 216626154 NGAFMCGCYGSZCU-UHFFFAOYSA-N 529.549 4.409 70 10 KIIE O=C(OCC1c2ccccc2-c2ccccc21)N1CCN(c2cc(CS(=O)(=O)Cl)cc(OS(=O)(=O)F)c2)CC1 1887522779 MXXSOOBBUFHCLH-UHFFFAOYSA-N 595.070 4.419 70 10 KIIE CN(CCCOCc1ccccc1)C(=O)c1cc(I)cc(S(=O)(=O)Cl)c1F 2169669175 YGMQKISGRPPXHZ-UHFFFAOYSA-N 525.767 4.037 70 10 KIIE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@@H](S(=O)(=O)F)C1 2257349539 QFIYVLGWBHDTFF-HOYKHHGWSA-N 502.608 4.230 70 10 KIIE COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)CCc1cc(Br)ccc1OC(F)F 217920735 NENUZQYMTOOQAM-NVXWUHKLSA-N 516.310 4.344 70 10 KIIE CC(=O)OC[C@@H]1O[C@@H](OC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)Oc2c(F)c(F)c(F)c(F)c2F)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 2037814072 KUKBSKMEOGXYAV-JTCABCNDSA-N 823.673 4.295 70 10 KIIE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC(S(=O)(=O)F)CC1 2257348895 NYVPMZWOHWPMBT-XMMPIXPASA-N 502.608 4.230 70 10 KIIE Cc1c(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc(N2CCNCC2)cc1OS(=O)(=O)F 1887577431 XCUFBIOMLCUFOC-UHFFFAOYSA-N 525.602 4.036 70 10 KIIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)c2)cc1 216673510 IXANORSSMNXYTK-UHFFFAOYSA-N 508.527 4.430 70 10 KIIE Cc1c(OS(=O)(=O)F)cc(CC(=O)O)cc1N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1887578967 WPYQBJLRZJGGDZ-UHFFFAOYSA-N 554.596 4.286 70 10 KIIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)c2)cc1 216679791 OAMUCWBWMKORCD-HSZRJFAPSA-N 515.566 4.139 70 10 KIIE Cc1c(CC(=O)O)cc(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc1OS(=O)(=O)F 1887520577 KUFSLIIXJMUFAC-UHFFFAOYSA-N 554.596 4.286 70 10 KIIE CCOc1cc(NC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc(OCC)c1OCC 217274666 YMFYQQKHOLBUIV-UHFFFAOYSA-N 528.027 4.201 70 10 KIIE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC(CCS(=O)(=O)F)C1 2257343976 FHIYQRHSHAPXGN-XMMPIXPASA-N 502.608 4.088 70 10 KIIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)c3ccc4c(c3)C(=O)N(CCCOC)C4=O)cc2)cc1 216626922 MXXHAXOPBCMKJM-UHFFFAOYSA-N 559.575 4.037 70 10 KIIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)CCCN3C(=O)c4ccccc4C3=O)cc2)cc1 216634796 QPKYYLSJMULFCG-UHFFFAOYSA-N 529.549 4.167 70 10 KIIE COc1ccc(C(=O)N2CCN(C(=O)CCCOc3ccc(Br)cc3Cl)CC2)cc1OC 216856329 XWKLRBGGXQCSJU-UHFFFAOYSA-N 525.827 4.263 70 10 KIIE COC(=O)CSC(C(=NC(=O)c1ccccc1)C(=O)OC)=P(c1ccccc1)(c1ccccc1)c1ccccc1 254596452 WXHPOQVZAVJVFB-UHFFFAOYSA-N 569.619 4.471 70 10 KIIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1 216660000 PDQDIWMQYPSKOR-UHFFFAOYSA-N 529.549 4.167 70 10 KIIE CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC(CCS(=O)(=O)F)C1 2079009129 OTIYYELAMDMLEE-MZNJEOGPSA-N 502.608 4.088 70 10 KIIE O=C(NCCCOc1ccc(Br)cc1Cl)N1CCN(Cc2ccc3c(c2)OCO3)CC1 217299162 HRKVMPHRYBPRPG-UHFFFAOYSA-N 510.816 4.128 70 10 KIIE C[C@@H](Cc1cc(I)cc(I)c1I)S(=O)(=O)Cl 1952136500 TVXHJHHZTNZARY-YFKPBYRVSA-N 596.393 4.000 70 10 KIIE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@H](S(=O)(=O)F)C1 2257347885 QFIYVLGWBHDTFF-UUOWRZLLSA-N 502.608 4.230 70 10 KIIE CC(C)(C)c1ccc(OCCCNC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c(Br)c1 217298801 UETYLBCXXPCMJW-UHFFFAOYSA-N 538.508 4.232 70 10 KIIE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@@H](S(=O)(=O)F)C1 2060815249 SJCYRUICDXFMAW-RHGYRFJNSA-N 502.608 4.230 70 10 KIIE COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)CCc1cc(Br)ccc1OC(F)F 217920538 NENUZQYMTOOQAM-DOTOQJQBSA-N 516.310 4.344 70 10 KIIE CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC(S(=O)(=O)F)CC1 2060814845 PZVWOSSLPYWWKV-MZNJEOGPSA-N 502.608 4.230 70 10 KIIE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC(CCS(=O)(=O)F)C1 2079009073 OTIYYELAMDMLEE-BXKMTCNYSA-N 502.608 4.088 70 10 KIIE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@H](S(=O)(=O)F)C1 2257349541 QFIYVLGWBHDTFF-MHECFPHRSA-N 502.608 4.230 70 10 KIIE O=C(Nc1ccc(S(=O)(=O)Cl)cc1Br)c1cccc(I)c1 59082099 CGFMOCQRMMZNPC-UHFFFAOYSA-N 500.539 4.234 70 10 KIIE Cc1c(OS(=O)(=O)F)cc(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc1N1CCNCC1 1887505660 OUKKPWQMLSUDEF-UHFFFAOYSA-N 525.602 4.036 70 10 KIIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)cc2)cc1 216628491 QNYRXQLATQBEOP-HSZRJFAPSA-N 515.566 4.139 70 10 KIIE Cc1c(OS(=O)(=O)F)cc(CN)cc1N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1887521513 VXMPLJPPLVFKGO-UHFFFAOYSA-N 525.602 4.118 70 10 KIIE CC(C)(c1cc(I)cc(I)c1I)S(=O)(=O)Cl 1952137276 ZYZPHPFEEXDKBB-UHFFFAOYSA-N 596.393 4.304 70 10 KIIE C[C@H](Cc1cc(I)cc(I)c1I)S(=O)(=O)Cl 1952136499 TVXHJHHZTNZARY-RXMQYKEDSA-N 596.393 4.000 70 10 KIIE O=S(=O)(F)c1cc(Br)c(OC[C@]2(Br)CC2(F)F)c(Br)c1 2202510015 GMFWKNAKAMXAOV-SECBINFHSA-N 502.928 4.421 70 10 KIIE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@@H](S(=O)(=O)F)C1 2257347882 QFIYVLGWBHDTFF-HOYKHHGWSA-N 502.608 4.230 70 10 KIIE