smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)/C=C/c3ccc(F)cc3)cc2)cc1 216644683 GSSJDDYOHVYNOH-FRKPEAEDSA-N 462.477 4.943 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)COc3ccccc3OCC)c2)cc1 216680206 XVPVUISTNVWALV-UHFFFAOYSA-N 492.528 4.568 70 10 JJIE O=C(NCc1ccccc1Br)Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O 217281456 GDGICVFDSQIXCH-UHFFFAOYSA-N 456.340 4.700 70 10 JJIE COCCCN1C(=O)c2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2C1=O 217280801 ZIWYOWPLOCICCZ-UHFFFAOYSA-N 455.820 4.635 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)c2ccc(F)c(F)c2F)cc1 216661820 PPERMWZKWIIISP-UHFFFAOYSA-N 472.419 4.822 70 10 JJIE Cc1cc(I)c(OCCCCCCS(=O)(=O)Cl)cc1Cl 2361565417 VARHTZOZFNKVMT-UHFFFAOYSA-N 451.153 4.761 70 10 JJIE O=S(=O)(Cl)c1cc(Br)c(OCCCC(F)(F)F)c(Br)c1 130158054 BVDDJLNMJDDNOJ-UHFFFAOYSA-N 460.493 4.860 70 10 JJIE O=S(=O)(Cl)c1cc(Br)c(OCC(F)(F)C2CC2)c(Br)c1 2233900085 MRPRRVROIDUSGA-UHFFFAOYSA-N 454.514 4.563 70 10 JJIE CCC[C@H](COc1cc(Cl)c(C)cc1I)CS(=O)(=O)Cl 2361595429 KWNVAJIFOKZXCM-SNVBAGLBSA-N 451.153 4.617 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)/C=C/c3ccccc3OC)cc2)cc1 216643147 SRCKLVVMPGANCN-SFQUDFHCSA-N 474.513 4.812 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)/C=C/c3cccc(OC)c3)cc2)cc1 216643874 OQVDIBGVGHRLER-CXUHLZMHSA-N 474.513 4.812 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)CCc3ccc(F)cc3)c2)cc1 216692263 DIGZTFSEMZZBFR-UHFFFAOYSA-N 464.493 4.862 70 10 JJIE Cc1ccccc1C(=O)NC(=S)C(C#N)=P(c1ccccc1)(c1ccccc1)c1ccccc1 100835286 KLIVTZLRWIKXAK-UHFFFAOYSA-N 478.557 4.742 70 10 JJIE O=S(=O)(Cl)c1cc(Br)c(OCCc2ccccc2)c(Br)c1 59148235 KBYLZFOUBZECHV-UHFFFAOYSA-N 454.567 4.761 70 10 JJIE O=S(=O)(Cl)c1cccc(OCc2ccc(I)c(Br)c2)c1 2377633719 XLIVXHAUNDJALE-UHFFFAOYSA-N 487.540 4.560 70 10 JJIE CC(C)(C)OC(=O)C(Br)=P(c1ccccc1)(c1ccccc1)c1ccccc1 136591861 WVGOZYLIGNLMDF-UHFFFAOYSA-N 455.332 4.847 70 10 JJIE C[C@@]1(COc2c(Br)cc(S(=O)(=O)Cl)cc2Br)CC1(F)F 689284039 ZLGDVIYNKIUYAG-JTQLQIEISA-N 454.514 4.563 70 10 JJIE Cc1cc2ncc(CCCNS(=O)(=O)c3ccc(-c4cc(Cl)cc(Cl)c4)cc3)cn2n1 218047682 QFJSHXALJGTSHL-UHFFFAOYSA-N 475.401 4.923 70 10 JJIE CC(C)(C)OC(=O)N1CC[C@](COCc2ccccc2)(C(=O)N2CC[C@@H]3C[C@]3([B-](F)(F)F)C2)C1 1879745835 JWCPFCGMZJHIBO-YGOYIFOWSA-N 481.344 4.670 70 10 JJIE C#Cc1cccc(N(Cc2ccccc2)C(=O)c2cc(Cl)c(S(=O)(=O)F)cc2OC)c1 1537141689 MTALMRNPCWUILK-UHFFFAOYSA-N 457.910 4.835 70 10 JJIE CC(C)(C)OC(=O)N1CC[C@@](COCc2ccccc2)(C(=O)N2CCC[C@@H]([B-](F)(F)F)C2)C1 2070275050 YZFDYYZQBLLTMO-AUSIDOKSSA-N 469.333 4.670 70 10 JJIE O=C(c1cc(I)ccc1Br)N1CC[C@@H]2C[C@@]2([B-](F)(F)F)C1 2194128164 CIVSZZHNNWOQHS-AMIZOPFISA-N 472.859 4.507 70 10 JJIE Cc1cc(C)c(NC(=O)NCCCN2C(=O)c3ccc(Br)cc3C2=O)c(Cl)c1 217306678 LOMNNZSHVOQOAL-UHFFFAOYSA-N 464.747 4.527 70 10 JJIE CC(C)(C#N)CCCOc1c(Br)cc(S(=O)(=O)Cl)cc1Br 215862787 GMQBKLRPDRAIPV-UHFFFAOYSA-N 459.587 4.848 70 10 JJIE O=C(c1ccc(I)c(Br)c1)N1CCC([B-](F)(F)F)CC1 2231055532 WQSGSXUBSUNDGY-UHFFFAOYSA-N 460.848 4.507 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)CCc3cccc(F)c3)c2)cc1 216691660 SENAIBFMWNPPCD-UHFFFAOYSA-N 464.493 4.862 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)COc2ccc(Cl)cc2)cc1 216657624 NIORUTSZOQLJFL-UHFFFAOYSA-N 482.920 4.823 70 10 JJIE COc1ccc([C@@H](C)NC(=O)NCCCOc2ccc(Br)cc2Cl)cc1OC 217298906 ZTZJESUUYWNTNH-CYBMUJFWSA-N 471.779 4.949 70 10 JJIE COc1ccc(C(=O)N2CCC(NC(=O)CCCOc3ccc(C(C)(C)C)cc3)CC2)cc1OC 216890201 YCNNOHVOEZRBNC-UHFFFAOYSA-N 482.621 4.581 70 10 JJIE O=C(NCCc1cccc(Br)c1)Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O 217281472 FPLZCKGARAGZAI-UHFFFAOYSA-N 470.367 4.742 70 10 JJIE CC(C)(C)OC(=O)N1CC[C@@](COCc2ccccc2)(C(=O)N2CC[C@](C)([B-](F)(F)F)C2)C1 2319670917 VXPGOFKMLPGBPD-XZOQPEGZSA-N 469.333 4.670 70 10 JJIE NC[C@@H](c1cccc(Br)c1)[C@H](O)c1cc(Br)ccc1Br 161273193 JUIQFWQRXIUMRS-DZGCQCFKSA-N 463.995 4.750 70 10 JJIE O=S(=O)(Cl)c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1 59148234 QGTZHEOHAHUBJL-UHFFFAOYSA-N 458.530 4.857 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)COc3ccc(Cl)cc3)cc2)cc1 216632195 YHMAGCSABOFCLS-UHFFFAOYSA-N 482.920 4.823 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)Cc2ccc(OCC)cc2)cc1 216657064 JAOZHQOVRIJJPX-UHFFFAOYSA-N 476.529 4.732 70 10 JJIE Cc1c(I)cc(C[B-](F)(F)F)cc1N1CCN(C(=O)OC(C)(C)C)CC1 1887520865 ITIYXXNYYCMMRE-UHFFFAOYSA-N 483.101 4.586 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)COc3ccc(C)cc3C)c2)cc1 216676776 XACYELGGRGTRPH-UHFFFAOYSA-N 476.529 4.786 70 10 JJIE CC(C)(C)OC(=O)N1CC[C@@](COCc2ccccc2)(C(=O)N2CCC[C@H]([B-](F)(F)F)C2)C1 2070275054 YZFDYYZQBLLTMO-WMZHIEFXSA-N 469.333 4.670 70 10 JJIE Cc1cc(I)ccc1NC(=O)NCCc1cccc(Br)c1 217481340 BDOVLPOHGVEBNB-UHFFFAOYSA-N 459.125 4.726 70 10 JJIE F[B-](F)(F)c1csc(Sc2cc(I)ccc2Br)n1 2300793958 DPXUUWJHNFBTQU-UHFFFAOYSA-N 464.886 4.716 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)CCc3ccccc3F)cc2)cc1 216641004 LWGKNHAYFMUCDD-UHFFFAOYSA-N 464.493 4.862 70 10 JJIE O=S(=O)(Cl)CCCCCCCOc1cc(Br)cc(I)c1 2364052019 VFMOCGKCYJAIBM-UHFFFAOYSA-N 495.604 4.952 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)CCc2ccc(OC)cc2)cc1 216667499 QCAUZGSKFCNULL-UHFFFAOYSA-N 476.529 4.732 70 10 JJIE O=S(=O)(Cl)c1cc(Br)c(OC[C@@H](F)C2CCC2)c(Br)c1 2204265004 OYHQEGQZSOLNBS-LLVKDONJSA-N 450.551 4.656 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)c3ccc(Br)o3)c2)cc1 216678007 WKBVOKAXEKTOAC-UHFFFAOYSA-N 487.306 4.760 70 10 JJIE O=C([C@@H]1CC(=O)N(c2cccc(Br)c2)C1)N1CCCC[C@@H](c2ccc(F)cc2)C1 217288654 ZKRXUSLGLKLECI-QZTJIDSGSA-N 459.359 4.737 70 10 JJIE C[C@@]1([B-](F)(F)F)CCN(C(=O)c2ccc(I)c(Br)c2)C1 2342481647 JHQBLXPWDRPVFW-GFCCVEGCSA-N 460.848 4.507 70 10 JJIE COc1cc(-c2cc(C(=O)N3CCCC[C@@H](c4ccc(F)cc4)C3)[nH]n2)cc(OC)c1OC 217289184 UAPFXHWBNMOLTF-QGZVFWFLSA-N 453.514 4.652 70 10 JJIE O=C(N[C@@H]1CC[C@H]1OCc1ccccc1)c1cc(Cl)c(Br)c(S(=O)(=O)Cl)c1 2156375510 NAYUNGIPKVPBQD-HUUCEWRRSA-N 493.206 4.508 70 10 JJIE Cc1ccnc(Sc2cc(I)ccc2Br)c1[B-](F)(F)F 2338309209 WCGJYYAOKWREDX-UHFFFAOYSA-N 472.884 4.963 70 10 JJIE CN(Cc1ccc(Cl)cc1)C(=O)c1cc(Br)ccc1I 217422249 ODLAYJNEXIUDPZ-UHFFFAOYSA-N 464.528 4.979 70 10 JJIE Cc1c(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc(N)cc1[B-](F)(F)F 1887521817 ZNGSRHRVSJFLLB-UHFFFAOYSA-N 494.346 4.698 70 10 JJIE O=S(=O)(Cl)c1cc(Br)c(OCc2cccc(Br)c2)cc1F 160226574 PXPXHTOSLMUPDP-UHFFFAOYSA-N 458.530 4.857 70 10 JJIE CC(C)(C)c1ccc(OCCCNC(=O)Nc2ncc(Br)cn2)c(Br)c1 217298791 WYUVAKLUSRHCFU-UHFFFAOYSA-N 486.208 4.890 70 10 JJIE COC(=O)c1cc(N(C)C(=O)OCC2c3ccccc3-c3ccccc32)cc([B-](F)(F)F)c1 1887511888 VUNYFMZWNBIRFX-UHFFFAOYSA-N 454.233 4.913 70 10 JJIE O=C(N[C@H]1CC[C@H]1OCc1ccccc1)c1cc(S(=O)(=O)Cl)cc(Br)c1Cl 2156373703 JAQCLGCVTMMOBA-JKSUJKDBSA-N 493.206 4.508 70 10 JJIE CC(C)(C)c1ccc(OCCCNC(=O)NCc2ccc3c(c2)OCO3)c(Br)c1 217298475 LBQDMSQKIVYZDT-UHFFFAOYSA-N 463.372 4.744 70 10 JJIE O=S(=O)(Cl)c1cc(Br)ccc1OCc1ccc(I)cc1 115900933 ZQYGQZKONZYEPR-UHFFFAOYSA-N 487.540 4.560 70 10 JJIE O=C(O)c1cc(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc([B-](F)(F)F)c1 1887521628 CFBOSRZHBKGHHY-UHFFFAOYSA-N 495.286 4.510 70 10 JJIE O=C(Nc1cc(CN2CCNCC2)cc([B-](F)(F)F)c1)OCC1c2ccccc2-c2ccccc21 1887514598 YKFJVSVRGKZGQN-UHFFFAOYSA-N 480.319 4.507 70 10 JJIE O=C(N[C@@H]1CC[C@H]1OCc1ccccc1)c1cc(Br)cc(S(=O)(=O)Cl)c1Cl 2156379756 YXHRXIKKAJKWCD-HUUCEWRRSA-N 493.206 4.508 70 10 JJIE COC(=O)C(C(=O)/C=C\c1ccccc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1 105930254 AZGRCFYRAQKGLS-FCQUAONHSA-N 464.501 4.608 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)CCc2ccc(OC)cc2)cc1 216667556 AUULRDIHODYJGR-UHFFFAOYSA-N 476.529 4.732 70 10 JJIE C[C@H](CI)[C@@H]1CC[C@@]2(C)C(OS(=O)(=O)C(F)(F)F)=CCC[C@H]12 72399914 PCIJUJJHXZXOQM-LSCVPOLPSA-N 452.276 4.634 70 10 JJIE in-vitro CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)CCCOc3ccccc3)cc2)cc1 216631146 HNKZFLHVWQKVHC-UHFFFAOYSA-N 476.529 4.950 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)Cc2ccc(OCC)cc2)cc1 216657132 FILSRYVKUPBYJB-UHFFFAOYSA-N 476.529 4.732 70 10 JJIE C[C@H](CCOCc1cc(I)ccc1Br)CCS(=O)(=O)Cl 2367282423 AEYNGMHHLGKTCI-SNVBAGLBSA-N 495.604 4.555 70 10 JJIE CCC[C@H](COCc1ccc(I)c(Br)c1)CS(=O)(=O)Cl 2377641639 IHJUAGJWHVHBJL-LLVKDONJSA-N 495.604 4.555 70 10 JJIE CC[C@H](NC(=O)NCCCN1C(=O)c2ccc(Br)cc2C1=O)c1ccc2c(c1)CCCC2 217306458 JGGQYNFEPCSYLC-QFIPXVFZSA-N 498.421 4.765 70 10 JJIE O[C@H](c1cc(Br)ccc1Br)c1cc(Br)cc2c1OCC2 161055958 NHZZJQIQNGPGPC-CQSZACIVSA-N 462.963 4.991 70 10 JJIE Cc1nc(COc2c(Br)cc(S(=O)(=O)Cl)cc2Br)sc1C 215852674 NXYXQLBKENGYCI-UHFFFAOYSA-N 475.611 4.791 70 10 JJIE CN(c1ncc([B-](F)(F)F)cc1Br)[C@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]12 2357064176 SVMJPZCWSOCBRJ-XPYUAMARSA-N 454.119 4.719 70 10 JJIE CC1(C)[C@@H](OCc2ccccc2)C[C@H]1NC(=O)c1cc(S(=O)(=O)Cl)cn1Cc1ccccc1 717982380 WTTJFPFYUVERNL-PKTZIBPZSA-N 487.021 4.578 70 10 JJIE O=S(=O)(F)c1cc(Br)c(OCCC=CBr)c(Br)c1 2071422461 XMTGPFXCLFKSHL-UHFFFAOYSA-N 466.948 4.547 70 10 JJIE O=C(c1ccc(I)c(Br)c1)N1CCC[C@H]([B-](F)(F)F)C1 2133915389 JWXXDFQCWKBBGQ-VIFPVBQESA-N 460.848 4.507 70 10 JJIE CC(C)C[C@@H](COc1cc(I)ccc1Cl)CS(=O)(=O)Cl 2382174889 WPUXDRZWSCIEFT-JTQLQIEISA-N 451.153 4.554 70 10 JJIE CN(c1ncc([B-](F)(F)F)cc1Br)[C@@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@@H]21 2190482972 SVMJPZCWSOCBRJ-PCODUJHASA-N 454.119 4.719 70 10 JJIE C[C@H](CI)[C@@H]1CC[C@@]2(C)C(OS(=O)(=O)C(F)(F)F)=CCC[C@@H]12 72399915 PCIJUJJHXZXOQM-MPPDQPJWSA-N 452.276 4.634 70 10 JJIE in-vitro CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)CCc3cccc(F)c3)cc2)cc1 216641716 CIAWGGVYTXOMNR-UHFFFAOYSA-N 464.493 4.862 70 10 JJIE O=C(NCCCOc1ccc(Br)cc1Cl)NC1CCN(Cc2ccccc2)CC1 217299159 UMXSRPFPIXQAEA-UHFFFAOYSA-N 480.834 4.835 70 10 JJIE Cc1onc(-c2ccccc2Cl)c1C(=O)NCCn1nc(-c2ccccn2)c2c1CCCC2 217494086 MGKYXEVHJHXRII-UHFFFAOYSA-N 461.953 4.871 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)COc3ccc(C)cc3C)cc2)cc1 216625540 XJYAIQQWANUJBF-UHFFFAOYSA-N 476.529 4.786 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)CCOc3ccccc3)c2)cc1 216682927 BLZTYOHYZPAOCJ-UHFFFAOYSA-N 462.502 4.560 70 10 JJIE CCOC(=O)[C@@H]1CCCN(C(=O)NCCCOc2ccc(C(C)(C)C)cc2Br)C1 217298576 PZDLHYQIXXKBOB-MRXNPFEDSA-N 469.420 4.500 70 10 JJIE NC[C@H](c1ccccc1Br)[C@H](O)c1cc(Br)ccc1Br 161277055 QUQLTKKWFTWCHA-IUODEOHRSA-N 463.995 4.750 70 10 JJIE O=C(N[C@@H]1CC[C@@H]1OCc1ccccc1)c1csc(S(=O)(=O)Cl)c1OCc1ccccc1 2038736262 GVHMNWYHFZGLCL-UXHICEINSA-N 492.018 4.732 70 10 JJIE C#Cc1cc(CNC(=O)OCC2c3ccccc3-c3ccccc32)c(C)c(OS(=O)(=O)F)c1C 1887519731 IPKOZUKKEBLZNS-UHFFFAOYSA-N 479.529 4.917 70 10 JJIE COc1ccc([C@H](C)NC(=O)NCCCOc2ccc(Br)cc2Cl)cc1OC 217298907 ZTZJESUUYWNTNH-ZDUSSCGKSA-N 471.779 4.949 70 10 JJIE Cc1cc(I)ccc1NC(=O)Nc1ccccc1I 217272865 YOHQROKOGJNOQQ-UHFFFAOYSA-N 478.071 4.848 70 10 JJIE CC(C)(C)[C@@H](COc1cc(I)ccc1Cl)CS(=O)(=O)Cl 2288254837 COHBGTUVOOFHMK-VIFPVBQESA-N 451.153 4.554 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)CCc3ccccc3OC)cc2)cc1 216640935 LHFDWONASXPTKX-UHFFFAOYSA-N 476.529 4.732 70 10 JJIE CCOc1cc([C@@H]2NN=C3CCN(Cc4ccccc4)C[C@H]32)cc(Br)c1OCC 217062416 AOJMXHHFNANDFX-GCJKJVERSA-N 458.400 4.769 70 10 JJIE O=S(=O)(Oc1cccc2c1C[C@H](N(Cc1ccccc1)Cc1ccccc1)CO2)C(F)(F)F 114688027 SONZRKCXHPBENX-FQEVSTJZSA-N 477.504 4.921 70 10 JJIE Cc1cc(I)ccc1NC(=O)NCCc1ccc(Br)cc1 217544133 BWJYVLWELLOYGM-UHFFFAOYSA-N 459.125 4.726 70 10 JJIE CN1CCN(c2ccc(C(=O)OC(C)(C)C)c(N(C(=O)C(F)(F)F)c3ccccc3)c2)CC1 218667180 AFGCQHBHAKIKDU-UHFFFAOYSA-N 463.500 4.621 70 10 JJIE O=S(=O)(Cl)c1cccc(Oc2cc(Br)cc(I)c2)c1 2338895100 LYRUFXHQULSVPH-UHFFFAOYSA-N 473.513 4.774 70 10 JJIE O=S(=O)(F)c1cc(Cl)c(OC[C@@H]2CC2(Br)Br)c(Cl)c1 2224805828 KRTQZXAWWJYKHH-YFKPBYRVSA-N 456.942 4.536 70 10 JJIE C#Cc1cc(CNC(=O)OCC2c3ccccc3-c3ccccc32)c(C)c(OS(=O)(=O)F)c1 1887522270 PDCWIPBLJIMBNA-UHFFFAOYSA-N 465.502 4.608 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)c3ccc(OCC)cc3)c2)cc1 216678347 PLECLSKKVWCESK-UHFFFAOYSA-N 462.502 4.803 70 10 JJIE O=C1C(=P(c2ccccc2)(c2ccccc2)c2ccccc2)N=Nc2cc3c(cc21)OCO3 196389473 ILNMCQQVHUTZAH-UHFFFAOYSA-N 450.434 4.819 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)CCCOc2ccccc2)cc1 216656629 WGCSVYVVGOZXIM-UHFFFAOYSA-N 476.529 4.950 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)COc2ccc(OCC)cc2)cc1 216661057 SVZUYBLUGDSTMR-UHFFFAOYSA-N 492.528 4.568 70 10 JJIE CC1(C)C[C@H](NC(=O)c2cc(S(=O)(=O)Cl)cn2Cc2ccccc2)[C@H]1OCc1ccccc1 2100140464 BAVWCWDLOVOPLQ-JTHBVZDNSA-N 487.021 4.578 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)COc2ccccc2CC)cc1 216662186 NUVSXHZGPDQUNE-UHFFFAOYSA-N 476.529 4.732 70 10 JJIE COc1ccc(C(=O)NCC2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)cc1OC 216866906 RMCPESYHDZDVME-UHFFFAOYSA-N 458.558 4.653 70 10 JJIE CCC(CC)(COc1cc(Br)cc(I)c1)CS(=O)(=O)Cl 2364050873 KGICPMXHBHMLPK-UHFFFAOYSA-N 495.604 4.808 70 10 JJIE O=S(=O)(F)c1cc(Br)c(OCCCOCc2ccccc2)c(Br)c1 2016798756 RKKJKUCLWWGFPF-UHFFFAOYSA-N 482.165 4.856 70 10 JJIE O=C(NCCn1nc(-c2ccncc2)c2c1CCCC2)c1cc(Br)ccc1Cl 217456878 WLSLMWNCBSVNSY-UHFFFAOYSA-N 459.775 4.670 70 10 JJIE COc1ccccc1C(=O)N1[C@H](C(=O)Nc2nnc(Cc3cccc(F)c3)s2)C[C@H]2CCCC[C@@H]21 216982385 OVTOEQIXBRIUJW-QMMLZNLJSA-N 494.592 4.689 70 10 JJIE O=S(=O)(Cl)c1cc(Br)c(OC/C(Cl)=C/Cl)c(Br)c1 310558142 LEXRMMAJDNUFLO-HYXAFXHYSA-N 459.370 4.837 70 10 JJIE C[C@@H](Cc1cc(Br)cc(Br)c1NC(=O)OC(C)(C)C)S(=O)(=O)F 1952831029 CNNHMGVFVSXUQT-QMMMGPOBSA-N 475.174 4.789 70 10 JJIE O=C(c1cc(I)ccc1Br)N1CCC[C@H]([B-](F)(F)F)C1 2133916430 NVGOSPUTFAILGZ-QMMMGPOBSA-N 460.848 4.507 70 10 JJIE O=C(c1ccc(Br)cc1I)N1CCC[C@@H]([B-](F)(F)F)C1 2142290563 CNTQWJCHRDAFLC-MRVPVSSYSA-N 460.848 4.507 70 10 JJIE Cc1cc(Br)c(S(=O)(=O)Nc2cccc(Cl)c2O)cc1Br 160389909 JSYAUAZKUWHRKE-UHFFFAOYSA-N 455.555 4.680 70 10 JJIE CC1(C)[C@@H](NC(=O)c2cc(S(=O)(=O)Cl)cn2Cc2ccccc2)C[C@H]1OCc1ccccc1 717982382 WTTJFPFYUVERNL-XZOQPEGZSA-N 487.021 4.578 70 10 JJIE Cc1cc(Sc2cc(I)ccc2Br)ncc1[B-](F)(F)F 2338313403 QCZVYHHETFVACK-UHFFFAOYSA-N 472.884 4.963 70 10 JJIE O=C(CN1c2cccc3cccc(c23)S1(=O)=O)Nc1ccc(-c2nc3ccccc3s2)cn1 216828118 HTTYGULFSDAFMG-UHFFFAOYSA-N 472.551 4.659 70 10 JJIE COC(=O)c1ccc(CNC(=O)NCCCOc2ccc(C(C)(C)C)cc2Br)cc1 217298766 MOCYYWVMXVCBRR-UHFFFAOYSA-N 477.399 4.802 70 10 JJIE Cc1c(CS(=O)(=O)Cl)c(C)c(N2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1N=[N+]=[N-] 1887551883 XOBRJNHSAYHFIL-UHFFFAOYSA-N 457.984 4.679 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)COc3cccc(C)c3C)c2)cc1 216680594 HWHFUZCHPSNJNJ-UHFFFAOYSA-N 476.529 4.786 70 10 JJIE O=S(=O)(Cl)c1cc(Br)c(OCCC2(F)CCC2)c(Br)c1 2205558722 BTYLNQMRXUZVHG-UHFFFAOYSA-N 450.551 4.800 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)COc3ccccc3CC)c2)cc1 216686473 VYYNJJYRHMAUOY-UHFFFAOYSA-N 476.529 4.732 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)COc3ccc(OCC)cc3)c2)cc1 216685307 QORSFZOZIJDTBB-UHFFFAOYSA-N 492.528 4.568 70 10 JJIE C[C@@H](CI)[C@@H]1CC[C@@]2(C)C(OS(=O)(=O)C(F)(F)F)=CCC[C@H]12 97974849 PCIJUJJHXZXOQM-MEWQQHAOSA-N 452.276 4.634 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)COc3ccc(C)cc3C)cc2)cc1 216625475 YCQZCOZIEOFQCZ-UHFFFAOYSA-N 476.529 4.786 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)c2ccc(F)c(F)c2F)cc1 216661758 XCLROUNFXFFZHK-UHFFFAOYSA-N 472.419 4.822 70 10 JJIE COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)CCc1ccc(Cl)c(C(F)(F)F)c1 217919529 WXHGHYHMISIFTP-KDOFPFPSSA-N 473.850 4.652 70 10 JJIE COc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(Br)cc3)cc2)cc1OC 216898169 VMJXTVMYVGDALX-UHFFFAOYSA-N 455.308 4.971 70 10 JJIE O=S(=O)(Cl)c1cc(Cl)c(OC[C@@H]2CC2(Br)Br)cc1Cl 2224810711 WSUWPLNBJZNGDE-YFKPBYRVSA-N 473.397 4.806 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)c2ccc(OCC)cc2)cc1 216652823 UNXQVLWPBOCGQY-UHFFFAOYSA-N 462.502 4.803 70 10 JJIE CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1cc(CC(=O)O)cc([B-](F)(F)F)c1 1887512024 BJKMJLRZZSMNTF-UHFFFAOYSA-N 454.233 4.753 70 10 JJIE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccccc1S(=O)(=O)F 2301723289 QXLVKDFMZZGFFP-NRFANRHFSA-N 482.533 4.601 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)Cc3cccc(Cl)c3)c2)cc1 216690087 XDPSMWTYHKWXQI-UHFFFAOYSA-N 466.921 4.987 70 10 JJIE C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)c1cc(Br)cc(S(=O)(=O)Cl)c1 385708602 KANYQFVQAZALHZ-ZDUSSCGKSA-N 456.789 4.818 70 10 JJIE Cc1c(OS(=O)(=O)F)cc(C=O)cc1N(C)C(=O)OCC1c2ccccc2-c2ccccc21 1887506190 QJSRYFODQTWUFD-UHFFFAOYSA-N 469.490 4.786 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)Cc3ccc(OCC)cc3)c2)cc1 216681758 CBWZBIFAATTYPS-UHFFFAOYSA-N 476.529 4.732 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)/C=C/c2ccccc2OC)cc1 216668606 SDUGUTVBISFOCQ-SAPNQHFASA-N 474.513 4.812 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)COc3ccccc3CC)cc2)cc1 216636532 JPTBBJJXWFYNGQ-UHFFFAOYSA-N 476.529 4.732 70 10 JJIE Cc1onc(-c2ccccc2Cl)c1C(=O)NCCn1nc(C(F)(F)F)c2c1CCCC2 217531879 NYKFHXFYPXPDTE-UHFFFAOYSA-N 452.864 4.828 70 10 JJIE O=S(=O)(Cl)c1cc(Br)c(OC[C@H]2C[C@H]3CC[C@H]2C3)c(Br)c1 250762957 UZZBGISSJXPGRJ-LPEHRKFASA-N 458.599 4.954 70 10 JJIE O=C(c1cc(Br)cc(S(=O)(=O)Cl)c1)N(CCC(F)(F)F)Cc1ccccc1 2152198722 YWWBXWCPEWANGL-UHFFFAOYSA-N 484.721 4.971 70 10 JJIE O=C(c1cc(Br)cc(S(=O)(=O)Cl)c1)N(Cc1ccccc1)C1CCCC1 2095911942 ANXXHBLZTNCQIP-UHFFFAOYSA-N 456.789 4.962 70 10 JJIE O=S(=O)(Cl)CCCCCCOCc1cc(I)ccc1Br 2367283834 IFTSGOJNOKIEPY-UHFFFAOYSA-N 495.604 4.699 70 10 JJIE O=C(NCc1cc(S)cc(OS(=O)(=O)F)c1)OCC1c2ccccc2-c2ccccc21 1887520479 UQMLJMRIBYMFHO-UHFFFAOYSA-N 459.520 4.607 70 10 JJIE C[C@@H](COc1c(Br)cc(Br)cc1Br)CS(=O)(=O)Cl 112159353 FMGMKMRJSDSCRQ-LURJTMIESA-N 485.419 4.558 70 10 JJIE CC(=O)N(C(=O)NCCCOc1ccc(C(C)(C)C)cc1Br)c1cccc(N)c1 217298628 MYUYZXODZPTFAX-UHFFFAOYSA-N 462.388 4.860 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)/C=C/c3cccc(F)c3)cc2)cc1 216643939 PUHGEZCXZDBHPU-OVCLIPMQSA-N 462.477 4.943 70 10 JJIE CC(C)(C)c1ccc(NC(=O)NCCCN2C(=O)c3ccc(Br)cc3C2=O)cc1 217306628 WLGKQCFNPSFFSN-UHFFFAOYSA-N 458.356 4.554 70 10 JJIE CC1(C)[C@@H](NC(=O)c2cc(S(=O)(=O)Cl)cn2Cc2ccccc2)C[C@@H]1OCc1ccccc1 717982378 WTTJFPFYUVERNL-GOTSBHOMSA-N 487.021 4.578 70 10 JJIE C#Cc1cc(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc([B-](F)(F)F)c1 1887506391 UYOIBBHYQLIXIJ-UHFFFAOYSA-N 489.326 4.789 70 10 JJIE O=C(NCCc1ccc(Br)cc1)Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O 217281475 FBKJYBDKBLINDR-UHFFFAOYSA-N 470.367 4.742 70 10 JJIE O=C(Nc1cnn(C[C@@H]2COc3ccccc3O2)c1)c1ccc2noc(-c3ccccc3)c2c1 218281386 ORNCTECRNUOXQN-HXUWFJFHSA-N 452.470 4.784 70 10 JJIE O=C(NC1CC(OCc2ccccc2)C1)c1cc(Cl)c(Br)c(S(=O)(=O)Cl)c1 716197562 RKFFALJEOUIKPQ-UHFFFAOYSA-N 493.206 4.508 70 10 JJIE Cc1c(CN2CCNCC2)cc([B-](F)(F)F)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 1887521749 OFMQMGKTRXSSDM-UHFFFAOYSA-N 494.346 4.816 70 10 JJIE NC[C@H](c1ccc(Br)cc1)[C@H](O)c1cc(Br)ccc1Br 161265380 SJXHQUHMOUGTDS-UKRRQHHQSA-N 463.995 4.750 70 10 JJIE O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccccc1-c1csc(-c2ccccc2F)n1 218608491 XIYMQJNGDFGRTH-UHFFFAOYSA-N 457.486 4.851 70 10 JJIE CN(CCCOCc1ccccc1)C(=O)c1cc(Br)cc(S(=O)(=O)Cl)c1Cl 384309538 JOUDDYSSQUQJBA-UHFFFAOYSA-N 495.222 4.709 70 10 JJIE Cc1cnc(Sc2cc(I)ccc2Br)c([B-](F)(F)F)c1 2338309723 ZHFYKJHYKYXULC-UHFFFAOYSA-N 472.884 4.963 70 10 JJIE C[C@]1([B-](F)(F)F)CCN(C(=O)c2ccc(Br)cc2I)C1 2342482901 PCIYRGPERDPGPV-LBPRGKRZSA-N 460.848 4.507 70 10 JJIE COc1ccc(OC)c(-c2cc(C(=O)Nc3ccccc3-c3cn4ccsc4n3)n(C)n2)c1 218562781 CEOLCHIUTYWTHF-UHFFFAOYSA-N 459.531 4.733 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)COc2ccc(C)cc2C)cc1 216651230 KKJLMRHVLBTFAQ-UHFFFAOYSA-N 476.529 4.786 70 10 JJIE C[C@@H](COCc1ccccc1)COc1cc(F)c(S(=O)(=O)Cl)cc1Br 719543673 OQPFPBFDSISHPS-LBPRGKRZSA-N 451.741 4.747 70 10 JJIE O=S(=O)(Cl)c1cc(Br)c(OC[C@@H]2CC[C@@H](F)C2)c(Br)c1 2150332042 WFTOERMUUKPYMP-HTQZYQBOSA-N 450.551 4.656 70 10 JJIE C[C@]1([B-](F)(F)F)CCN(C(=O)c2cc(Br)ccc2I)C1 2342484411 BVYBCJICXOQSJF-LBPRGKRZSA-N 460.848 4.507 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)/C=C/c2cccc(F)c2)cc1 216669376 GASFOZFDHMTGTP-XNTDXEJSSA-N 462.477 4.943 70 10 JJIE CNc1cc(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc(S(=O)(=O)F)c1C 1887521205 NMADVNRRZPXJBR-UHFFFAOYSA-N 454.523 4.734 70 10 JJIE O=S(=O)(Cl)c1cc(Br)ccc1OCc1ccc(F)cc1Br 88270775 NZMKHWQVVNFLBD-UHFFFAOYSA-N 458.530 4.857 70 10 JJIE NC[C@@H](c1cccc(Br)c1)[C@@H](O)c1cc(Br)ccc1Br 161273457 JUIQFWQRXIUMRS-ZFWWWQNUSA-N 463.995 4.750 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)CCc3cccc(OC)c3)c2)cc1 216691590 DZLDQLPETFQSBA-UHFFFAOYSA-N 476.529 4.732 70 10 JJIE CC(C)(C)OC(=O)NC1(CC(=O)N2CC[C@@](C)([B-](F)(F)F)C2)CCN(Cc2ccccc2)CC1 2342474368 ZYCKHTOHUMVGKD-HSZRJFAPSA-N 482.376 4.776 70 10 JJIE NC[C@@H](c1ccc(Br)cc1)[C@H](O)c1cc(Br)ccc1Br 161265512 SJXHQUHMOUGTDS-DZGCQCFKSA-N 463.995 4.750 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)c3ccc(OCC)cc3)cc2)cc1 216627035 VPRAHEUWUMTYJP-UHFFFAOYSA-N 462.502 4.803 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)CCCOc2ccccc2)cc1 216656577 PEIXNMQJFVXWBC-UHFFFAOYSA-N 476.529 4.950 70 10 JJIE CN(CCCOCc1ccccc1)C(=O)c1cc(S(=O)(=O)Cl)cc(Br)c1Cl 384281938 NMQREHDDJZCFQP-UHFFFAOYSA-N 495.222 4.709 70 10 JJIE O=S(=O)(Cl)c1cc(Br)c(OC[C@H](F)C2CCC2)c(Br)c1 2204265005 OYHQEGQZSOLNBS-NSHDSACASA-N 450.551 4.656 70 10 JJIE NC[C@H](c1cccc(Br)c1)[C@@H](O)c1cc(Br)ccc1Br 161273332 JUIQFWQRXIUMRS-HIFRSBDPSA-N 463.995 4.750 70 10 JJIE CN(CCCOCc1ccccc1)C(=O)c1cc(S(=O)(=O)Cl)c(Br)cc1Cl 384288348 URAAXXPENQIWJQ-UHFFFAOYSA-N 495.222 4.709 70 10 JJIE O=S(=O)(Cl)c1cc(Br)c(OC/C(Cl)=C\Cl)c(Br)c1 127290064 LEXRMMAJDNUFLO-HWKANZROSA-N 459.370 4.837 70 10 JJIE C[C@@H](C(=O)Nc1ccccc1-c1csc(-c2ccccc2F)n1)n1nc(-n2cccn2)ccc1=O 218613280 GWOJMXXNCZUDPY-INIZCTEOSA-N 486.532 4.558 70 10 JJIE CC(C)[C@@H]1COC(=O)N1c1ccnc(N[C@H](C)c2ccc(CN3CCC(F)(F)CC3)cc2)n1 217879364 OCZCXJFDMAWAIM-XLIONFOSSA-N 459.541 4.862 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)c3ccc(OCC)cc3)c2)cc1 216678299 JLBGXMMHCQFTJH-UHFFFAOYSA-N 462.502 4.803 70 10 JJIE COc1ccc(Br)cc1S(=O)(=O)Nc1ccccc1-c1cn2ccsc2n1 218652001 RGZYHEKSCCSIFL-UHFFFAOYSA-N 464.366 4.635 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)c3ccc4nc(C)c(C)nc4c3)cc2)cc1 216632265 CDHFDYGASRGBDC-UHFFFAOYSA-N 498.539 4.964 70 10 JJIE COc1ccc(OCCNC(=O)NCCCOc2ccc(C(C)(C)C)cc2Br)cc1 217298694 ZVDCIKWDYDCAQW-UHFFFAOYSA-N 479.415 4.902 70 10 JJIE O=C(c1cc(Br)cc(S(=O)(=O)Cl)c1)N(Cc1ccccc1)CC(F)(F)F 2095864060 YINFIGLNGWSJLH-UHFFFAOYSA-N 470.694 4.581 70 10 JJIE O=C(N[C@@H]1CC[C@@H]1OCc1ccccc1)c1cc(S(=O)(=O)Cl)c(Br)cc1Cl 2156374318 KLGXDKHNIDSFBA-CVEARBPZSA-N 493.206 4.508 70 10 JJIE O=C(Nc1cccc(S(=O)(=O)F)c1)c1ccc(COc2ccc([N+](=O)[O-])cc2Cl)cc1 100475707 PMJWNIRTYRCVOJ-UHFFFAOYSA-N 464.858 4.738 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)COc3ccc(C)c(C)c3)cc2)cc1 216629748 SXRHQDDDYZQRII-UHFFFAOYSA-N 476.529 4.786 70 10 JJIE O=S(=O)(Cl)c1cc(Br)c(OC[C@H]2CCC2(F)F)c(Br)c1 2360445899 KUHDDQTYJWVJHU-ZCFIWIBFSA-N 454.514 4.563 70 10 JJIE CC(C)(C)c1ccc(OCCCC(=O)N2CCCN(C(=O)C(F)(F)F)CC2)c(Br)c1 216716030 SHNHZNXQGGXFST-UHFFFAOYSA-N 493.364 4.529 70 10 JJIE CCOC(=O)C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)=NC(=O)c1ccccc1 585660827 AWEBXADOEQECFH-UHFFFAOYSA-N 479.516 4.627 70 10 JJIE C[C@@H](CCOCc1cc(I)ccc1Br)CCS(=O)(=O)Cl 2367282422 AEYNGMHHLGKTCI-JTQLQIEISA-N 495.604 4.555 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)COc3ccc(OCC)cc3)c2)cc1 216685375 HDZOMELGOATQQJ-UHFFFAOYSA-N 492.528 4.568 70 10 JJIE Cc1c(N)cc(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc1[B-](F)(F)F 1887505796 YUVNMTAFEZZNJC-UHFFFAOYSA-N 494.346 4.698 70 10 JJIE C[C@H](C1CC1)N(Cc1ccccc1)C(=O)c1cc(Br)cc(S(=O)(=O)Cl)c1 385708588 KANYQFVQAZALHZ-CYBMUJFWSA-N 456.789 4.818 70 10 JJIE C[C@@H](COc1c(Br)cc(S(=O)(=O)Cl)cc1Br)CC(F)F 688787080 IXMUROWHMBIERT-ZCFIWIBFSA-N 456.530 4.809 70 10 JJIE CC(C)(COc1c(Br)cc(Br)cc1Br)CS(=O)(=O)Cl 114762326 GLHDFDCSBFZSTF-UHFFFAOYSA-N 499.446 4.948 70 10 JJIE F[B-](F)(F)[C@@]12C[C@@H]1CCN(Cc1ccc(I)c(Br)c1)C2 2349904337 MRECPBFFNNLUFV-GXFFZTMASA-N 458.876 4.867 70 10 JJIE Cc1nc(C)c([B-](F)(F)F)c(Sc2cc(I)ccc2Br)n1 2363624314 HVPUQQAUYTXIRU-UHFFFAOYSA-N 487.899 4.666 70 10 JJIE Cc1cc(C)n(-c2ccc(N3CCC(C(=O)Nc4ccccc4-c4csc(C)n4)CC3)nn2)n1 218600766 VWFJGIWYTUOHRS-UHFFFAOYSA-N 473.606 4.566 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)COc2cccc(C)c2C)cc1 216655143 GVZCPZVMRZCFOS-UHFFFAOYSA-N 476.529 4.786 70 10 JJIE C[C@]1(F)C[C@H](COc2c(Br)cc(S(=O)(=O)Cl)cc2Br)C1 2198512035 BLXYGPCNAFFYTP-HCJPZQEFSA-N 450.551 4.656 70 10 JJIE Cc1c(C=O)cc(OS(=O)(=O)F)cc1N(C)C(=O)OCC1c2ccccc2-c2ccccc21 1887551716 PHSIGJFTCLTRIR-UHFFFAOYSA-N 469.490 4.786 70 10 JJIE CCOC(=O)c1ccc(NC(=O)NCCCOc2ccc(Br)cc2Cl)cc1 217298834 KDTNOWRSJHMWTD-UHFFFAOYSA-N 455.736 4.870 70 10 JJIE CC(C)(C)OC(=O)Nc1ccc(I)c([C@H](CS(=O)(=O)Cl)C2CC2)c1 1952810642 TYAYIXXOTXGZGQ-CYBMUJFWSA-N 485.771 4.700 70 10 JJIE NC[C@H](c1ccc(Br)cc1)[C@@H](O)c1cc(Br)ccc1Br 161265635 SJXHQUHMOUGTDS-HIFRSBDPSA-N 463.995 4.750 70 10 JJIE O=S(=O)(Cl)c1cc(Br)cc(Cl)c1OC[C@]1(Br)CC1(F)F 2202502360 BSCHGXLJIDLBEO-SECBINFHSA-N 474.932 4.582 70 10 JJIE O=C1C[C@H](c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)N1S(=O)(=O)Cl 2016741884 VZXLANOSGQRZFV-HXUWFJFHSA-N 457.935 4.602 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)CCc3ccc(F)cc3)cc2)cc1 216642192 ADCNHLOXBQZUTG-UHFFFAOYSA-N 464.493 4.862 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)CCOc3ccccc3)cc2)cc1 216632872 QDCLRZVYLOQIDD-UHFFFAOYSA-N 462.502 4.560 70 10 JJIE COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)c1cccc(Oc2ccc(F)cc2)c1 217922747 PXKQEAAQVBLULP-RBBKRZOGSA-N 453.441 4.592 70 10 JJIE O=C(c1cc(I)ccc1Br)N1CCC[C@@H]([B-](F)(F)F)C1 2133916429 NVGOSPUTFAILGZ-MRVPVSSYSA-N 460.848 4.507 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)Cc3ccccc3Cl)cc2)cc1 216639402 AETIXLJFUPUNBD-UHFFFAOYSA-N 466.921 4.987 70 10 JJIE Cn1nc(N2CCC[C@H](C(=O)Nc3ccccc3-c3csc(-c4ccccc4F)n3)C2)ccc1=O 218613673 GGXJGIWVCCIEIK-KRWDZBQOSA-N 489.576 4.565 70 10 JJIE Cc1cc([B-](F)(F)F)cnc1Sc1cc(I)ccc1Br 2338313928 VWMTUNJSCVDRFK-UHFFFAOYSA-N 472.884 4.963 70 10 JJIE O=S(=O)(Cl)c1cc(Br)c(OCC2CC(F)(F)C2)c(Br)c1 394765434 IIPIAWYWDITMFA-UHFFFAOYSA-N 454.514 4.563 70 10 JJIE O=C(N[C@H]1CC[C@@H]1OCc1ccccc1)c1cc(S(=O)(=O)Cl)cc(Br)c1Cl 2156373701 JAQCLGCVTMMOBA-HOTGVXAUSA-N 493.206 4.508 70 10 JJIE Cc1cc(Br)c(S(=O)(=O)NCc2cc(C)c(C)s2)cc1Br 159669340 RTYLHKTUISDBNL-UHFFFAOYSA-N 453.221 4.677 70 10 JJIE CC(C)CN1C(=O)c2ccc(NC(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)cc2C1=O 217279480 KVEFEAPPSWKIND-UHFFFAOYSA-N 496.611 4.878 70 10 JJIE COc1ccc([C@@H](C)NC(=O)Nc2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)cc1OC 217281179 GCJBJKYKLBYHKX-OAHLLOKOSA-N 451.523 4.515 70 10 JJIE NC[C@H](c1cccc(Br)c1)[C@H](O)c1cc(Br)ccc1Br 161273066 JUIQFWQRXIUMRS-UKRRQHHQSA-N 463.995 4.750 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)CCOc2ccccc2)cc1 216658347 GFUNVQAAVUTQLV-UHFFFAOYSA-N 462.502 4.560 70 10 JJIE CCCCn1c(S[C@@H](C)C(=O)Nc2ccccc2Br)nnc1[C@@H](CC)N(C)C 218630182 BNMGDQGGCRTVSX-WMLDXEAASA-N 468.465 4.973 70 10 JJIE O[C@H](c1cc(Br)ccc1Br)c1cc2c(cc1Br)OCCO2 161032720 FRSQCBCYKWXKDT-OAHLLOKOSA-N 478.962 4.827 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)COc2cccc(C)c2C)cc1 216655065 VYESLFVVFAKHNS-UHFFFAOYSA-N 476.529 4.786 70 10 JJIE O=C(c1ccc(Br)cc1I)N1CCC([B-](F)(F)F)CC1 2231050743 WZYMMYQNJWKEPC-UHFFFAOYSA-N 460.848 4.507 70 10 JJIE COc1ccc(C(=O)N2CCC(CNC(=O)c3ccc(-c4ccccc4)cc3)CC2)cc1OC 216866939 PAAULILFOLRUMF-UHFFFAOYSA-N 458.558 4.653 70 10 JJIE O=S(=O)(Cl)c1cc(Br)c(OCC2CC(Br)C2)c(Br)c1 1887846472 MOPAPIKDMGCQSN-UHFFFAOYSA-N 497.430 4.691 70 10 JJIE F[B-](F)(F)c1ccc(Sc2cc(I)ccc2Br)nc1 2316388095 QURGLOTZURJGFT-UHFFFAOYSA-N 458.857 4.654 70 10 JJIE CC1(C)OC(=O)C(=Cc2ccc(C=P(c3ccccc3)(c3ccccc3)c3ccccc3)o2)C(=O)O1 105428272 ZSXUTVINBZSGQC-UHFFFAOYSA-N 496.499 4.644 70 10 JJIE CC(C)(C)OC(=O)N1CC[C@@](COCc2ccccc2)(C(=O)N2CC[C@@](C)([B-](F)(F)F)C2)C1 2319670914 VXPGOFKMLPGBPD-DHIUTWEWSA-N 469.333 4.670 70 10 JJIE Cc1cc(Br)c(S(=O)(=O)Nc2nc(C3CC3)cs2)cc1Br 159627004 ARDKQXHDKNGFQK-UHFFFAOYSA-N 452.193 4.655 70 10 JJIE CCCCn1c(S[C@H](C)C(=O)Nc2ccccc2Br)nnc1[C@@H](CC)N(C)C 218630262 BNMGDQGGCRTVSX-RHSMWYFYSA-N 468.465 4.973 70 10 JJIE O=C(c1cc(Br)cc(S(=O)(=O)Cl)c1)N(Cc1ccccc1)CC1CCC1 2095896086 PDRFYQJSJGUGAE-UHFFFAOYSA-N 456.789 4.819 70 10 JJIE O=C(NCCn1nc(-c2ccncc2)c2c1CCCC2)C1c2ccccc2Oc2ccccc21 217455555 UIEGKBSMZOFRDV-UHFFFAOYSA-N 450.542 4.878 70 10 JJIE O=C(Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)N1CCN(c2cccc(Cl)c2)CC1 217281394 KYVKFOWKZWPYFR-UHFFFAOYSA-N 466.969 4.623 70 10 JJIE CCCCn1c(S[C@@H](C)C(=O)Nc2ccccc2Br)nnc1[C@H](CC)N(C)C 218630354 BNMGDQGGCRTVSX-YOEHRIQHSA-N 468.465 4.973 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)c3ccc(F)c(F)c3F)c2)cc1 216686104 NIUFRAZOEVKMPI-UHFFFAOYSA-N 472.419 4.822 70 10 JJIE CC[C@H](C)c1ccccc1NC(=O)NCCCN1C(=O)c2ccc(Br)cc2C1=O 217306702 BGNYVXSNHJDYLE-AWEZNQCLSA-N 458.356 4.770 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)COc3cccc(C)c3C)cc2)cc1 216629315 AZWYQRCBLAQQTN-UHFFFAOYSA-N 476.529 4.786 70 10 JJIE CC(C)(C)OC(=O)Nc1ccc(I)cc1[C@H](CS(=O)(=O)Cl)C1CC1 1952689192 ZEVJVNVKYXYPEY-CYBMUJFWSA-N 485.771 4.700 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)/C=C/c3cccc(F)c3)c2)cc1 216693887 IMEIMYZBVPVASD-NTEUORMPSA-N 462.477 4.943 70 10 JJIE COc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3Br)cc2)cc1OC 216897962 PEPJWDHVZBUIBB-UHFFFAOYSA-N 455.308 4.971 70 10 JJIE Cc1cc(Br)c(S(=O)(=O)Nc2ccc(Cl)cc2O)cc1Br 160397221 XQTWBMSIWZXZRU-UHFFFAOYSA-N 455.555 4.680 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)c2ccc(OCC)cc2)cc1 216652872 OHUNSQFHKPNQQX-UHFFFAOYSA-N 462.502 4.803 70 10 JJIE Cc1c(S)cc(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc1OS(=O)(=O)F 1887522586 UPPDTSWBKMOJBR-UHFFFAOYSA-N 473.547 4.916 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)CCc3cccc(OC)c3)cc2)cc1 216641529 KQRXSQYFDZKGEI-UHFFFAOYSA-N 476.529 4.732 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)/C=C/c2ccc(OC)cc2)cc1 216669908 WUEITZSZWMNFRV-LICLKQGHSA-N 474.513 4.812 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)c3ccc(F)c(F)c3F)c2)cc1 216686170 CKAJNYQCLUXOPV-UHFFFAOYSA-N 472.419 4.822 70 10 JJIE COc1cc(-c2cc(C(=O)Nc3ccccc3-c3csc(C)n3)[nH]n2)cc(OC)c1OC 218596524 NBNPTBKWNXOOHR-UHFFFAOYSA-N 450.520 4.787 70 10 JJIE O=C(NCCCOc1ccc(Br)cc1Cl)Nc1ccccc1N1CCOCC1 217299054 PKSRMSXAMGWPMA-UHFFFAOYSA-N 468.779 4.530 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)CCc2ccccc2OC)cc1 216666431 SFBHKYIMBAHDND-UHFFFAOYSA-N 476.529 4.732 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)/C=C/c3ccc(F)cc3)c2)cc1 216694479 ONLFZLKOUYYXNO-OVCLIPMQSA-N 462.477 4.943 70 10 JJIE COc1cc(-c2cc(C(=O)Nc3ccccc3-c3cn4ccsc4n3)[nH]n2)cc(OC)c1OC 218562384 UHOJEMIJVZWKHE-UHFFFAOYSA-N 475.530 4.731 70 10 JJIE O=S(=O)(Cl)c1cc(Br)c(OCC[C@@H]2CC2(F)F)c(Br)c1 691219695 HPSMYSHKEFRSJN-ZCFIWIBFSA-N 454.514 4.563 70 10 JJIE O=S(=O)(Cl)CCCCOc1c(Br)cc(Br)cc1Br 112154873 NCKRHUSYFCBCIA-UHFFFAOYSA-N 485.419 4.702 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)/C=C/c3ccccc3F)c2)cc1 216693248 CHARMZJNZUJAHE-NTCAYCPXSA-N 462.477 4.943 70 10 JJIE O=C1c2ccc(Br)cc2C(=O)N1CCCNC(=O)N(Cc1ccccc1)c1ccccc1 217306608 KKQKQWLORKSUIK-UHFFFAOYSA-N 492.373 4.852 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)CCc2cccc(F)c2)cc1 216667159 DEQJCPVOOQCUAU-UHFFFAOYSA-N 464.493 4.862 70 10 JJIE CC(C)(C)[C@@H](COc1cc(Br)cc(I)c1)CS(=O)(=O)Cl 2364050784 JOWLROPFOQYAFD-VIFPVBQESA-N 495.604 4.663 70 10 JJIE CC(=O)N[C@@H](CC(=O)N1CCC(c2c[nH]c3ccccc23)CC1)c1ccc(Br)cc1 218023099 ZYGJFGUNRYMXOI-QHCPKHFHSA-N 468.395 4.904 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)CCc3ccc(OC)cc3)c2)cc1 216692143 CMKCVJJDJYOWNF-UHFFFAOYSA-N 476.529 4.732 70 10 JJIE C[C@]1(COc2c(Br)cc(S(=O)(=O)Cl)cc2Br)CC1(F)F 689284057 ZLGDVIYNKIUYAG-SNVBAGLBSA-N 454.514 4.563 70 10 JJIE F[B-](F)(F)[C@@]12C[C@H]1CCN(Cc1ccc(I)c(Br)c1)C2 2349904339 MRECPBFFNNLUFV-ZWNOBZJWSA-N 458.876 4.867 70 10 JJIE CCNc1nc(-c2ccc(Br)cc2Cl)nc(C)c1I 159574865 XXLZDMUMQUWZLO-UHFFFAOYSA-N 452.521 4.904 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)COc2ccccc2OCC)cc1 216654662 VJAOWCIKTNDMAT-UHFFFAOYSA-N 492.528 4.568 70 10 JJIE Cc1c(S)cc(OS(=O)(=O)F)cc1CNC(=O)OCC1c2ccccc2-c2ccccc21 1887522424 DBNBRINUSUNJMM-UHFFFAOYSA-N 473.547 4.916 70 10 JJIE O=S(=O)(Cl)CCCCCCOCc1ccc(I)c(Br)c1 2377642333 QGTGOZFTUGBYSK-UHFFFAOYSA-N 495.604 4.699 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)/C=C/c3cccc(F)c3)cc2)cc1 216644001 RIIJCSVQZXGUBC-OVCLIPMQSA-N 462.477 4.943 70 10 JJIE O=C(N[C@@H]1CC[C@H]1OCc1ccccc1)c1csc(S(=O)(=O)Cl)c1OCc1ccccc1 2038736264 GVHMNWYHFZGLCL-WOJBJXKFSA-N 492.018 4.732 70 10 JJIE COc1ccc(C(=O)N2CCCN(C(=O)CCCOc3ccc(C(C)(C)C)cc3)CC2)cc1OC 216858577 DYDZKKOJCVIVFW-UHFFFAOYSA-N 482.621 4.535 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)COc3ccc(Cl)cc3)c2)cc1 216682259 PJCUZYDTMHHOQP-UHFFFAOYSA-N 482.920 4.823 70 10 JJIE CN(CCOCc1ccccc1)C(=O)c1csc(S(=O)(=O)Cl)c1OCc1ccccc1 1950368773 YEACPMQCBWHCDT-UHFFFAOYSA-N 480.007 4.543 70 10 JJIE O=S(=O)(F)c1cc(Cl)c(OC[C@@H]2CC2(Br)Br)cc1Cl 2224810937 XJGJFAWKQSPISW-YFKPBYRVSA-N 456.942 4.536 70 10 JJIE Cc1cc(I)ccc1NC(=O)Nc1ccc2c(c1)C(=O)N(C(C)(C)C)C2=O 217280389 GAIRAMFPKQTNEL-UHFFFAOYSA-N 477.302 4.638 70 10 JJIE O=S(=O)(Cl)c1cc(Br)cc(Cl)c1OCc1cncc(Br)c1 166850869 PDGBPTLOMZDQPY-UHFFFAOYSA-N 475.973 4.767 70 10 JJIE Nc1cc(Br)c(NC(=O)c2c(F)cccc2Br)c(Br)c1 160699499 PIRATRZWDYHGQC-UHFFFAOYSA-N 466.930 4.948 70 10 JJIE CC(C)(C)OC(=O)N1CC[C@](COCc2ccccc2)(C(=O)N2CCC[C@@H]([B-](F)(F)F)C2)C1 2070275057 YZFDYYZQBLLTMO-XXBNENTESA-N 469.333 4.670 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)/C=C/c2ccc(F)cc2)cc1 216669976 UTZOYZUZJBAURR-CXUHLZMHSA-N 462.477 4.943 70 10 JJIE CC[C@H](COc1c(Br)cc(Br)cc1Br)CS(=O)(=O)Cl 114762323 ATYLNVGGYHQHNT-SSDOTTSWSA-N 499.446 4.948 70 10 JJIE O[C@@H](c1cc(Br)ccc1Br)c1cc(Br)cc2c1OCC2 161055840 NHZZJQIQNGPGPC-AWEZNQCLSA-N 462.963 4.991 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)/C=C/c3ccc(F)cc3)c2)cc1 216694544 XAZVJKUTCZUKAN-OVCLIPMQSA-N 462.477 4.943 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)/C=C/c3ccccc3F)c2)cc1 216693177 DCLAYTVOIRMBKW-NTCAYCPXSA-N 462.477 4.943 70 10 JJIE O=S(=O)(Cl)c1c(Br)c(Br)cc(Br)c1Br 1906132446 UEXDYSIEZBKCSG-UHFFFAOYSA-N 492.208 4.664 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)COc2ccc(C)cc2C)cc1 216651298 UAPZTENZMCACKT-UHFFFAOYSA-N 476.529 4.786 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)/C=C/c3ccc(OC)cc3)c2)cc1 216694414 VYRRDHSFKPSJDM-CXUHLZMHSA-N 474.513 4.812 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)NCCCNC(=O)CCCOc2ccc(C(C)(C)C)cc2)cc1 216702386 KNALORFMWGACQE-UHFFFAOYSA-N 484.593 4.615 70 10 JJIE O=C(N[C@H]1CC[C@H]1OCc1ccccc1)c1cc(Cl)c(Br)c(S(=O)(=O)Cl)c1 2156375511 NAYUNGIPKVPBQD-LSDHHAIUSA-N 493.206 4.508 70 10 JJIE O=C(c1csc(S(=O)(=O)Cl)c1OCc1ccccc1)N1CC[C@H](OCc2ccccc2)C1 2038715501 ACXHJJLQRVPOHY-IBGZPJMESA-N 492.018 4.686 70 10 JJIE CCn1nnc2c(Br)c(Br)c(Br)c(Br)c21 218380381 FIFIIGJBLYXSNV-UHFFFAOYSA-N 462.765 4.501 70 10 JJIE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccccc1S(=O)(=O)F 2059396779 DHZHPUWRWUIBOP-XMMPIXPASA-N 496.560 4.847 70 10 JJIE O=C(c1ccsc1)c1ccc(CNC(=O)c2ccccc2I)s1 217293514 OQNSZTXSJVLOLC-UHFFFAOYSA-N 453.326 4.575 70 10 JJIE Cc1ccc([B-](F)(F)F)c(Sc2cc(I)ccc2Br)n1 2338314096 XMPCNJTWGPCBCR-UHFFFAOYSA-N 472.884 4.963 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)/C=C/c2cccc(OC)c2)cc1 216669249 SKIYDZJRKLBXHV-LFIBNONCSA-N 474.513 4.812 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)CCc3cccc(OC)c3)c2)cc1 216691527 KJSBRSUPCNMITA-UHFFFAOYSA-N 476.529 4.732 70 10 JJIE Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cnn(C[C@H]2COc3ccccc3O2)c1 218268601 IPAYLUQOABGYRV-INIZCTEOSA-N 450.882 4.592 70 10 JJIE Cc1cc(C)n(-c2ccc(N3CCC(C(=O)Nc4ccccc4-c4cn5ccsc5n4)CC3)nn2)n1 218566995 WHGFBWHVLLGGGN-UHFFFAOYSA-N 498.616 4.510 70 10 JJIE O=C(NCCCOc1ccc(Br)cc1Cl)NCCc1c[nH]c2ccccc12 217299128 LAZAQYAFPBIAIL-UHFFFAOYSA-N 450.764 4.895 70 10 JJIE COC(=O)Cc1cc(N(C)C(=O)OCC2c3ccccc3-c3ccccc32)cc([B-](F)(F)F)c1 1887561567 UGHWZUAJZUNLSM-UHFFFAOYSA-N 468.260 4.842 70 10 JJIE O=C1O[C@@]2(CCCN(S(=O)(=O)c3ccc(Oc4ccccc4Cl)cc3)C2)c2ccccc21 217629104 BIJYTFUXBZHWOC-XMMPIXPASA-N 469.946 4.983 70 10 JJIE CC(C)(C)OC(=O)Nc1ccc(I)cc1[C@@H](CS(=O)(=O)Cl)C1CC1 1952689195 ZEVJVNVKYXYPEY-ZDUSSCGKSA-N 485.771 4.700 70 10 JJIE CC(C)(C)OC(=O)NC1(CC(=O)N2CC[C@@H]3C[C@@]3([B-](F)(F)F)C2)CCN(Cc2ccccc2)CC1 2194132529 KKWJFPCAMKUASO-CJFMBICVSA-N 494.387 4.776 70 10 JJIE COc1cc(N)cc(C(=O)Nc2c(Br)cc(Br)cc2Br)c1 159629087 HCLYDWCDRILTNP-UHFFFAOYSA-N 478.966 4.817 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)c3ccc(F)c(F)c3F)cc2)cc1 216636069 RFRNKBNKIPECLD-UHFFFAOYSA-N 472.419 4.822 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)COc2ccccc2CC)cc1 216662119 IMCGBIWAZOWDFA-UHFFFAOYSA-N 476.529 4.732 70 10 JJIE C#Cc1cc(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc(OS(=O)(=O)F)c1C 1887522137 FPBCWAXKEDHCPL-UHFFFAOYSA-N 465.502 4.608 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)Cc3ccc(OCC)cc3)cc2)cc1 216631652 HZMYJDRHOGHTOK-UHFFFAOYSA-N 476.529 4.732 70 10 JJIE O=S(=O)(Cl)c1cc(Cl)c(OC[C@H]2CC2(Br)Br)c(Cl)c1 2224802494 BXJUEQFXVZLZNS-RXMQYKEDSA-N 473.397 4.806 70 10 JJIE CC(=O)CCc1ccc(OCc2cccc(C(=O)Nc3cccc(S(=O)(=O)F)c3)c2)cc1 1585439191 QUHXFTYBFIBDDX-UHFFFAOYSA-N 455.507 4.698 70 10 JJIE O=S(=O)(Cl)c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1 59148237 FJSPUTGBWVGLAU-UHFFFAOYSA-N 458.530 4.857 70 10 JJIE CCCNc1nc(-c2ccc(Cl)c(Br)c2)ncc1I 161008203 CXLUUNRBACONSR-UHFFFAOYSA-N 452.521 4.986 70 10 JJIE C#Cc1cc(OS(=O)(=O)F)cc(CNC(=O)OCC2c3ccccc3-c3ccccc32)c1C 1887577966 BHKCENFLWDZHMO-UHFFFAOYSA-N 465.502 4.608 70 10 JJIE N[C@H](c1cc(Br)ccc1Br)c1cc(Br)cc2c1OCC2 159905445 CIDBWBDHVNLEOB-CQSZACIVSA-N 461.979 4.957 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)CCc3ccccc3OC)c2)cc1 216690918 GINBMXPQPNFYPZ-UHFFFAOYSA-N 476.529 4.732 70 10 JJIE Fc1cc([B-](F)(F)F)cnc1Sc1cc(I)ccc1Br 2338313378 PUCMHUQEZQTBQR-UHFFFAOYSA-N 476.847 4.793 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)Cc3cccc(Cl)c3)c2)cc1 216690024 FKKMUBNADJXHDB-UHFFFAOYSA-N 466.921 4.987 70 10 JJIE CC1(C)C[C@@H](NC(=O)c2cc(S(=O)(=O)Cl)cn2Cc2ccccc2)[C@@H]1OCc1ccccc1 2100140462 BAVWCWDLOVOPLQ-GGAORHGYSA-N 487.021 4.578 70 10 JJIE O=C(Nc1ccccc1-c1cn2ccsc2n1)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 218553896 NKXVYEOWPCRGHC-CQSZACIVSA-N 481.375 4.817 70 10 JJIE O=S(=O)(Cl)c1cc(Br)c(OCc2ccccc2F)c(Br)c1 59148228 QUXIXTOUKLAMBN-UHFFFAOYSA-N 458.530 4.857 70 10 JJIE Cc1c(N)cc(CNC(=O)OCC2c3ccccc3-c3ccccc32)c(C)c1S(=O)(=O)F 1887519147 PHSTXTBHUPNTJD-UHFFFAOYSA-N 454.523 4.583 70 10 JJIE O=C(NC1CC(OCc2ccccc2)C1)c1csc(S(=O)(=O)Cl)c1OCc1ccccc1 2038722185 UTWNOJNVKLTPLB-UHFFFAOYSA-N 492.018 4.732 70 10 JJIE O=S(=O)(Cl)c1cc(Br)ccc1OCc1cc(F)ccc1Br 88270399 MGHRQZVSFGIZKU-UHFFFAOYSA-N 458.530 4.857 70 10 JJIE CCOC(=O)C(C(=O)c1c(F)cccc1F)=P(c1ccccc1)(c1ccccc1)c1ccccc1 136994876 ULKHWSJTXMVLFW-UHFFFAOYSA-N 488.470 4.877 70 10 JJIE CN(CCCOCc1ccccc1)C(=O)c1c(Cl)ccc(S(=O)(=O)Cl)c1Cl 384311786 NGEAQIHEQLVOSN-UHFFFAOYSA-N 450.771 4.600 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)Cc2ccc(Cl)cc2)cc1 216666040 HTXUEKYXCXEIJD-UHFFFAOYSA-N 466.921 4.987 70 10 JJIE O=S(=O)(Cl)c1ccc(OCc2ccc(I)c(Br)c2)cc1 2377399478 SQIHRXKYQNEZDB-UHFFFAOYSA-N 487.540 4.560 70 10 JJIE CCOC(=O)c1cc(OS(=O)(=O)C(F)(F)F)c2ccc(OCc3ccccc3)cc2c1 100461866 FHGHYKQQUONAPF-UHFFFAOYSA-N 454.422 4.824 70 10 JJIE O=C(c1cc(Br)ccc1Br)c1cc2c(cc1Br)OCCO2 159756516 ZMGSYSYRRSKMLK-UHFFFAOYSA-N 476.946 4.976 70 10 JJIE CCc1cc(Br)cc(S(=O)(=O)F)c1OC[C@H]1CC1(Br)Br 2233038311 IZKSJMNZHHMNTR-MRVPVSSYSA-N 495.002 4.555 70 10 JJIE O=C(c1cc(I)ccc1Br)N1CCC([B-](F)(F)F)CC1 2231059054 BEJHJKFVJXYWNI-UHFFFAOYSA-N 460.848 4.507 70 10 JJIE CC(C)(C)OC(=O)Nc1cc(F)c(Br)cc1[C@@H](CS(=O)(=O)Cl)C1CC1 1952681933 DGGDTOPOZAHEMC-NSHDSACASA-N 456.761 4.997 70 10 JJIE CC(=O)OC(c1ccc([N+](=O)[O-])cc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1 585666613 ZQTZCXNISHQNJT-UHFFFAOYSA-N 455.450 4.630 70 10 JJIE COc1ccc(C(=O)NCC2CCN(C(=O)CCCOc3ccc(C(C)(C)C)cc3)CC2)cc1OC 216871811 LQSAJWZESMMGHY-UHFFFAOYSA-N 496.648 4.829 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)CCc2ccccc2F)cc1 216666562 HVHQNBAGNHOYEW-UHFFFAOYSA-N 464.493 4.862 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)/C=C/c2ccc(OC)cc2)cc1 216669844 RJAKCYLOCUURCV-LICLKQGHSA-N 474.513 4.812 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)COc2ccc(C)c(C)c2)cc1 216655435 QORFHNFPIHSPSV-UHFFFAOYSA-N 476.529 4.786 70 10 JJIE NS(=O)(=O)c1ccc(C(=O)Nc2ccccc2-c2csc(-c3ccccc3F)n2)cc1 218604359 OSNICBAULBPVEN-UHFFFAOYSA-N 453.520 4.516 70 10 JJIE O=S(=O)(Cl)c1cc(Br)c(OCCC2CC(F)C2)c(Br)c1 2236180024 QZERFUVOTQXVNJ-UHFFFAOYSA-N 450.551 4.656 70 10 JJIE CC(C)=C(Br)COc1c(Br)cc(S(=O)(=O)F)cc1Br 2340311063 AFHPXZFTNZDDJQ-UHFFFAOYSA-N 480.975 4.937 70 10 JJIE O=S(=O)(Cl)CCCCCCOc1cc(Br)cc(I)c1 2338706116 ULBXXKXNDRFMED-UHFFFAOYSA-N 481.577 4.562 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)/C=C/c2ccccc2F)cc1 216668738 FQLHJAAWJLZYDU-DTQAZKPQSA-N 462.477 4.943 70 10 JJIE O=C(NCCCN1C(=O)c2ccc(Br)cc2C1=O)NC(c1ccccc1)c1ccccc1 217306428 NUOODCMHJKQYLX-UHFFFAOYSA-N 492.373 4.524 70 10 JJIE O[C@@H](c1cc(Br)ccc1Br)c1cc2c(cc1Br)OCCO2 161032596 FRSQCBCYKWXKDT-HNNXBMFYSA-N 478.962 4.827 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)CCc3cccc(F)c3)cc2)cc1 216641650 VIWPGAGCONUVGM-UHFFFAOYSA-N 464.493 4.862 70 10 JJIE C[C@@H](COCc1ccccc1)COc1c(Cl)cc(Br)cc1S(=O)(=O)F 2071424912 VCEJCBLTSSSPHU-LBPRGKRZSA-N 451.741 4.992 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)CCc2ccc(F)cc2)cc1 216667697 QGBKXOZNBGARJG-UHFFFAOYSA-N 464.493 4.862 70 10 JJIE O=C(N[C@@H]1CC[C@@H]1OCc1ccccc1)c1cc(Cl)c(Br)c(S(=O)(=O)Cl)c1 2156375508 NAYUNGIPKVPBQD-CABCVRRESA-N 493.206 4.508 70 10 JJIE O=S(=O)(Cl)c1ccc(OCc2cccc(I)c2)c(Br)c1 2367356597 IFXRZAOIGBUHGF-UHFFFAOYSA-N 487.540 4.560 70 10 JJIE CN(c1ncc([B-](F)(F)F)cc1Br)[C@@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@@H]21 2190482971 SVMJPZCWSOCBRJ-LKCYJCQHSA-N 454.119 4.719 70 10 JJIE COc1ccc(C(=O)NC2CCN(C(=O)CCCOc3ccc(C(C)(C)C)cc3)CC2)cc1OC 216890146 OWSHCQNMYKZTFZ-UHFFFAOYSA-N 482.621 4.581 70 10 JJIE CC(C)CCOCCOc1c(Br)cc(S(=O)(=O)Cl)cc1Br 105047984 WXBODZSEKCWVSE-UHFFFAOYSA-N 464.603 4.581 70 10 JJIE COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)c1cccc(Oc2ccc(F)cc2)c1 217922663 PXKQEAAQVBLULP-UNMCSNQZSA-N 453.441 4.592 70 10 JJIE C[C@@]1([B-](F)(F)F)CCN(C(=O)c2cc(I)ccc2Br)C1 2342467635 BJLKSLSXBQFWMV-GFCCVEGCSA-N 460.848 4.507 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)CCc3ccc(F)cc3)c2)cc1 216692200 HCBKXVMCZXDGAX-UHFFFAOYSA-N 464.493 4.862 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)CCc3ccccc3F)c2)cc1 216690996 ZEQUWKCWFMSTPC-UHFFFAOYSA-N 464.493 4.862 70 10 JJIE CCOC(=O)C(C(=O)c1ccc(OC)cc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1 139975056 VDUXCRMHUYNZCW-UHFFFAOYSA-N 482.516 4.608 70 10 JJIE CCOc1cc([C@H]2NN=C3CCN(Cc4ccccc4)C[C@H]32)cc(Br)c1OCC 217062443 AOJMXHHFNANDFX-XMSQKQJNSA-N 458.400 4.769 70 10 JJIE CC(C)(C)OC(=O)N1CC[C@](COCc2ccccc2)(C(=O)N2CCC([B-](F)(F)F)CC2)C1 2223248851 VZVBGXOTJKPWCY-QHCPKHFHSA-N 469.333 4.670 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)c2ccc3nc(C)c(C)nc3c2)cc1 216657725 WWAVQEUKSBATNX-UHFFFAOYSA-N 498.539 4.964 70 10 JJIE O=S(=O)(Cl)c1ccc(OCc2ccc(F)c(Br)c2)c(Br)c1 59211516 IUOGDUSKHOURGL-UHFFFAOYSA-N 458.530 4.857 70 10 JJIE CCCN(c1ncc([B-](F)(F)F)cc1Br)C1CCN(Cc2ccccc2)CC1 2172764737 HOLMLYSWEMUCEE-UHFFFAOYSA-N 455.151 4.780 70 10 JJIE COc1cc(C(=O)C=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc(OC)c1OC 196200074 COVPRWBEAKDPKT-UHFFFAOYSA-N 470.505 4.691 70 10 JJIE CC1(C)[C@H](NC(=O)c2cc(S(=O)(=O)Cl)cn2Cc2ccccc2)C[C@H]1OCc1ccccc1 717982369 WTTJFPFYUVERNL-DHIUTWEWSA-N 487.021 4.578 70 10 JJIE CC(C)(C)OC(=O)N1CC[C@@](COCc2ccccc2)(C(=O)N2CCC([B-](F)(F)F)CC2)C1 2223248850 VZVBGXOTJKPWCY-HSZRJFAPSA-N 469.333 4.670 70 10 JJIE O=C(NCCn1nc(-c2ccccn2)c2c1CCCC2)c1cc(Br)ccc1Cl 217493982 NDZCEFFEYVRXKU-UHFFFAOYSA-N 459.775 4.670 70 10 JJIE C[C@H](COc1c(Br)cc(S(=O)(=O)Cl)cc1Br)CC(F)F 688787079 IXMUROWHMBIERT-LURJTMIESA-N 456.530 4.809 70 10 JJIE O=S(=O)(Cl)c1cc(Br)c(OC[C@H]2CC[C@H](F)C2)c(Br)c1 2150332051 WFTOERMUUKPYMP-YUMQZZPRSA-N 450.551 4.656 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)c3ccc(Br)o3)c2)cc1 216677940 PTBPXRNWDYTFAV-UHFFFAOYSA-N 487.306 4.760 70 10 JJIE O=C(CCc1cc(Br)ccc1OC(F)F)NC[C@H]1CCCN1c1ccccc1 217826894 SRVGTINCPBGLTA-GOSISDBHSA-N 453.327 4.768 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)CCc3ccccc3OC)c2)cc1 216690839 PAXYCKAOFNZDAW-UHFFFAOYSA-N 476.529 4.732 70 10 JJIE CCc1nc(NS(=O)(=O)c2cc(Br)c(C)cc2Br)sc1C 159625268 OLWYDGUTDHXDCQ-UHFFFAOYSA-N 454.209 4.648 70 10 JJIE Cc1c(N)c(C)c(S(=O)(=O)F)c(C)c1CNC(=O)OCC1c2ccccc2-c2ccccc21 1887579129 BVGSTPTZTLEZJK-UHFFFAOYSA-N 468.550 4.891 70 10 JJIE CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccccc1S(=O)(=O)F 2248871739 JANRYGGYYDKRSK-UHFFFAOYSA-N 482.533 4.601 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)/C=C/c3ccc(OC)cc3)c2)cc1 216694355 PWVBDMANAYJYOD-CXUHLZMHSA-N 474.513 4.812 70 10 JJIE COc1cc(-c2cc(C(=O)N3CCCC[C@H](c4ccc(F)cc4)C3)[nH]n2)cc(OC)c1OC 217289183 UAPFXHWBNMOLTF-KRWDZBQOSA-N 453.514 4.652 70 10 JJIE C[C@@H](c1cc(Br)cc(Br)c1NC(=O)OC(C)(C)C)S(=O)(=O)F 1952736338 XOQGAOFTJRQLMA-ZETCQYMHSA-N 461.147 4.919 70 10 JJIE O=S(=O)(Cl)c1cc(Br)c(OC[C@@H]2C[C@H]3CC[C@H]2C3)c(Br)c1 250762956 UZZBGISSJXPGRJ-GUBZILKMSA-N 458.599 4.954 70 10 JJIE CC(C)C[C@H](COc1cc(Br)cc(I)c1)CS(=O)(=O)Cl 2382174551 REBZPYUDCNPUKU-SNVBAGLBSA-N 495.604 4.663 70 10 JJIE CC(C)(C)OC(=O)NC1(CC(=O)N2CC[C@@H]3C[C@]3([B-](F)(F)F)C2)CCN(Cc2ccccc2)CC1 2194132537 KKWJFPCAMKUASO-NLFFAJNJSA-N 494.387 4.776 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)/C=C/c2ccc(F)cc2)cc1 216670039 AXILURDSOHUWPK-CXUHLZMHSA-N 462.477 4.943 70 10 JJIE CCc1ccsc1CNS(=O)(=O)c1cc(Br)c(C)cc1Br 159683044 DYXWGZTVFSKJDJ-UHFFFAOYSA-N 453.221 4.622 70 10 JJIE CN(c1ncc([B-](F)(F)F)cc1Br)[C@@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]21 2190482970 SVMJPZCWSOCBRJ-KNIMUDFMSA-N 454.119 4.719 70 10 JJIE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC[C@@H]([B-](F)(F)F)C2)cc1I 2319680517 QPVGBLBGHUYWRX-LLVKDONJSA-N 483.057 4.702 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)CCOc3ccccc3)c2)cc1 216682996 MSRRKYWSLRUISW-UHFFFAOYSA-N 462.502 4.560 70 10 JJIE O=C(c1cc(Br)ccc1I)N1CC[C@H]2C[C@]2([B-](F)(F)F)C1 2194119741 AUJATPDSMFNNGL-SDBXPKJASA-N 472.859 4.507 70 10 JJIE COC(=O)Cc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc([B-](F)(F)F)c1 1887512057 XWSVKPJEAJFEKF-UHFFFAOYSA-N 454.233 4.818 70 10 JJIE COc1ccc([C@H](C)NC(=O)Nc2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)cc1OC 217281180 GCJBJKYKLBYHKX-HNNXBMFYSA-N 451.523 4.515 70 10 JJIE COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)CCc1ccc(Cl)c(C(F)(F)F)c1 217919615 WXHGHYHMISIFTP-RDTXWAMCSA-N 473.850 4.652 70 10 JJIE C[C@@H](COc1c(Br)cc(S(=O)(=O)Cl)cc1Br)P(C)(C)=O 2204720840 ZOYJOPDHKHSXRC-ZETCQYMHSA-N 468.531 4.529 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)/C=C/c3ccccc3OC)c2)cc1 216693116 KYGJCXXTPFMDCY-DTQAZKPQSA-N 474.513 4.812 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)COc3ccccc3OCC)c2)cc1 216680272 NEALCGHLGAIAIC-UHFFFAOYSA-N 492.528 4.568 70 10 JJIE O=C(NCCc1ccccc1Br)Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O 217281467 ZCUJMVAXZXOXIU-UHFFFAOYSA-N 470.367 4.742 70 10 JJIE CC(C)(C)OC(=O)Nc1cc(I)cc(C(=O)N2CC[C@@H]([B-](F)(F)F)C2)c1 2319674629 MYKDZXHEDLYZOS-LLVKDONJSA-N 483.057 4.702 70 10 JJIE Cc1cc(Br)c(S(=O)(=O)Nc2nc(C(C)C)cs2)cc1Br 159627173 CJJWIIUZEMLVCP-UHFFFAOYSA-N 454.209 4.901 70 10 JJIE Cc1cc(C)n(CC(=O)N(C[C@H]2CCCO2)c2nc(-c3ccc(Br)cc3)cs2)n1 216789627 FCBKYTBWMMRDBL-GOSISDBHSA-N 475.412 4.598 70 10 JJIE COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1S(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1 218004556 UWNWEWWGTYOLGU-UGKGYDQZSA-N 489.952 4.530 70 10 JJIE C[C@@H](CCOc1c(Br)cc(S(=O)(=O)Cl)cc1Br)C(F)F 2157749999 IFTLKBBXBHICGI-LURJTMIESA-N 456.530 4.809 70 10 JJIE C/C(=C\Br)COc1c(Br)cc(S(=O)(=O)Cl)cc1Br 2219387608 YMXIPNQNQWPTSK-GQCTYLIASA-N 483.403 4.817 70 10 JJIE O=S(=O)(Cl)CC1(COc2cc(Br)cc(I)c2)CCCC1 2364274846 WVRQECJLICRCEX-UHFFFAOYSA-N 493.588 4.562 70 10 JJIE Cc1c(CN)cc(OS(=O)(=O)F)c(C)c1NC(=O)OCC1c2ccccc2-c2ccccc21 1887519618 DOOGSSPUNFPLKC-UHFFFAOYSA-N 470.522 4.716 70 10 JJIE CN(c1ncc([B-](F)(F)F)cc1Br)[C@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2172771024 TWPNBQMWKOFUQG-BCDXTJNWSA-N 453.135 4.530 70 10 JJIE O=C(c1cc(Br)ccc1I)N1CCC([B-](F)(F)F)CC1 2231047872 JRLXBXJZURNIIN-UHFFFAOYSA-N 460.848 4.507 70 10 JJIE O=C([C@H]1CC(=O)N(c2cccc(Br)c2)C1)N1CCCC[C@@H](c2ccc(F)cc2)C1 217288656 ZKRXUSLGLKLECI-MSOLQXFVSA-N 459.359 4.737 70 10 JJIE O=S(=O)(Cl)c1cc(Br)ccc1OCc1ccc(F)c(Br)c1 88270397 AJFLVUWZCYXSHW-UHFFFAOYSA-N 458.530 4.857 70 10 JJIE O=C(c1ccc(Br)cc1I)N1CC[C@@H]2C[C@@]2([B-](F)(F)F)C1 2207274823 GABBSLLYSHWWRF-AMIZOPFISA-N 472.859 4.507 70 10 JJIE Cc1c(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc(S(=O)(=O)F)c(C)c1N 1887518960 BFOUHVLKUHTYBZ-UHFFFAOYSA-N 454.523 4.583 70 10 JJIE O=S(=O)(Oc1cccc2c1C[C@@H](N(Cc1ccccc1)Cc1ccccc1)CO2)C(F)(F)F 114688029 SONZRKCXHPBENX-HXUWFJFHSA-N 477.504 4.921 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)CCc2ccccc2OC)cc1 216666362 SCPHOHAZMYXVNV-UHFFFAOYSA-N 476.529 4.732 70 10 JJIE Cc1cc(C)n(CC(=O)N(C[C@@H]2CCCO2)c2nc(-c3ccc(Br)cc3)cs2)n1 216789580 FCBKYTBWMMRDBL-SFHVURJKSA-N 475.412 4.598 70 10 JJIE C#Cc1c(C)c(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc(OS(=O)(=O)F)c1C 1887519768 JYCSUAJLFUIGQF-UHFFFAOYSA-N 479.529 4.917 70 10 JJIE O=S(=O)(Cl)c1cc(Br)c(OCC[C@H]2CC2(F)F)c(Br)c1 691219692 HPSMYSHKEFRSJN-LURJTMIESA-N 454.514 4.563 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)COc2ccc(OCC)cc2)cc1 216660493 QIHCLHCKCXLMLS-UHFFFAOYSA-N 492.528 4.568 70 10 JJIE O=C(NCCCN1C(=O)c2ccc(Br)cc2C1=O)Nc1cc(Cl)cc(Cl)c1 217306648 XPOQYSDWJUJTLO-UHFFFAOYSA-N 471.138 4.564 70 10 JJIE O=C(NC1CC(OCc2ccccc2)C1)c1cc(S(=O)(=O)Cl)c(Br)cc1Cl 716195364 HGJWLGNPGQPGRT-UHFFFAOYSA-N 493.206 4.508 70 10 JJIE CC(F)(F)CCCOc1c(Br)cc(S(=O)(=O)Cl)cc1Br 718634590 HKNRHUIZYRPKDD-UHFFFAOYSA-N 456.530 4.953 70 10 JJIE C[C@H](COc1c(Br)cc(S(=O)(=O)Cl)cc1Br)P(C)(C)=O 2204720839 ZOYJOPDHKHSXRC-SSDOTTSWSA-N 468.531 4.529 70 10 JJIE C[C@H](CCOCc1ccc(I)c(Br)c1)CCS(=O)(=O)Cl 2377634371 IANTVUKOFKSBIZ-SNVBAGLBSA-N 495.604 4.555 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)CCc3ccc(F)cc3)cc2)cc1 216642269 NYNBTRAZHPYMSW-UHFFFAOYSA-N 464.493 4.862 70 10 JJIE O=C(c1ccc(Br)cc1I)N1CCC[C@H]([B-](F)(F)F)C1 2142290564 CNTQWJCHRDAFLC-QMMMGPOBSA-N 460.848 4.507 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)COc3ccc(Cl)cc3)cc2)cc1 216632130 ICMBOZYRHGEQGE-UHFFFAOYSA-N 482.920 4.823 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)CCCOc3ccccc3)c2)cc1 216681436 GUEVMVPUUFQFFL-UHFFFAOYSA-N 476.529 4.950 70 10 JJIE C=C(Br)CCOc1c(Br)cc(S(=O)(=O)F)cc1Br 2071421245 MEBPWLISLOHWRF-UHFFFAOYSA-N 466.948 4.547 70 10 JJIE CC(=O)N[C@H](CC(=O)N1CCC(c2c[nH]c3ccccc23)CC1)c1ccc(Br)cc1 218023169 ZYGJFGUNRYMXOI-HSZRJFAPSA-N 468.395 4.904 70 10 JJIE O=C(NCCCN1C(=O)c2ccc(Br)cc2C1=O)Nc1c(Cl)cccc1Cl 217306680 WSBLSLWXTRKECM-UHFFFAOYSA-N 471.138 4.564 70 10 JJIE O=C(NC1(C(=O)N2CC[C@H]3C[C@@]3([B-](F)(F)F)C2)CC1)OCC1c2ccccc2-c2ccccc21 1902272047 SCUDSKQOMGEGDK-UPCLLVRISA-N 469.292 4.898 70 10 JJIE O=C(NCc1cccc(Br)c1)Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O 217281461 CIXFGENRJRIMMN-UHFFFAOYSA-N 456.340 4.700 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)/C=C/c3ccccc3F)cc2)cc1 216643331 MLLHWRXFPROQNN-LFIBNONCSA-N 462.477 4.943 70 10 JJIE CC(C)(C)OC(=O)N1CC[C@@](COCc2ccccc2)(C(=O)N2CC[C@@H]3C[C@]3([B-](F)(F)F)C2)C1 2332305521 JWCPFCGMZJHIBO-FOVJLYNBSA-N 481.344 4.670 70 10 JJIE O=S(=O)(Cl)c1cc(Br)c(OCC2(F)CCCC2)c(Br)c1 2165905478 LTGOJPLUKDBILS-UHFFFAOYSA-N 450.551 4.800 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)CCCOc3ccccc3)cc2)cc1 216631082 SJAYJGODTBRNDJ-UHFFFAOYSA-N 476.529 4.950 70 10 JJIE CC(C)(C)c1ccc(OCCCNC(=O)NC[C@H]2COc3ccccc3O2)c(Br)c1 217298733 ZBWHZAOLOLWYPZ-KRWDZBQOSA-N 477.399 4.655 70 10 JJIE O=S(=O)(Cl)c1cc(Br)c(OCc2ccc(Br)cc2)cc1F 160221897 ATPFVWVEHYPIQP-UHFFFAOYSA-N 458.530 4.857 70 10 JJIE O=S(=O)(Cl)c1cc(Br)ccc1OCc1ccc(Br)cc1F 88270530 WWEIKAIZMKRCGX-UHFFFAOYSA-N 458.530 4.857 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)COc3ccc(OCC)cc3)cc2)cc1 216635312 ULWVTTCMQXUFMG-UHFFFAOYSA-N 492.528 4.568 70 10 JJIE N[C@@H](c1cc(Br)ccc1Br)c1cc2c(cc1Br)OCCO2 159809772 XKGCZJVNDIOJLB-HNNXBMFYSA-N 477.978 4.793 70 10 JJIE COc1ccc(C(=O)N2CCC(CNC(=O)C(c3ccccc3)c3ccccc3)CC2)cc1OC 216867082 AUONAIOOKYOYQL-UHFFFAOYSA-N 472.585 4.504 70 10 JJIE O=C(N[C@H]1CC[C@@H]1OCc1ccccc1)c1csc(S(=O)(=O)Cl)c1OCc1ccccc1 2038736261 GVHMNWYHFZGLCL-PMACEKPBSA-N 492.018 4.732 70 10 JJIE CC(C)(C)OC(=O)N1CC[C@](COCc2ccccc2)(C(=O)N2CC[C@@H]3C[C@@]3([B-](F)(F)F)C2)C1 1879745833 JWCPFCGMZJHIBO-VEXUSMLFSA-N 481.344 4.670 70 10 JJIE CCN(Cc1cccs1)S(=O)(=O)c1cc(Br)c(C)cc1Br 159597637 AOGGMXZCDJIQGW-UHFFFAOYSA-N 453.221 4.792 70 10 JJIE CN(CCCOCc1ccccc1)C(=O)c1cc(S(=O)(=O)Cl)cc(Cl)c1Cl 384315752 VEGQTNNWPBVINF-UHFFFAOYSA-N 450.771 4.600 70 10 JJIE Cc1c(NC(=O)OCC2c3ccccc3-c3ccccc32)cc(C=O)cc1OS(=O)(=O)F 1887522085 AQLCTCTXFRMDTB-UHFFFAOYSA-N 455.463 4.762 70 10 JJIE Cc1c(C(=O)N(C)CCOCc2ccccc2)cc(S(=O)(=O)Cl)c(Cl)c1Cl 2364539111 DFNFPDLULAYPJN-UHFFFAOYSA-N 450.771 4.518 70 10 JJIE O=C(NC1(C(=O)N2CC[C@@H]3C[C@@]3([B-](F)(F)F)C2)CC1)OCC1c2ccccc2-c2ccccc21 1902272048 SCUDSKQOMGEGDK-VOIUYBSRSA-N 469.292 4.898 70 10 JJIE O=S(=O)(F)c1ccc(OC[C@H]2CC2(Br)Br)c(Cl)c1Cl 2224810376 VVAGECVSWDZRII-RXMQYKEDSA-N 456.942 4.536 70 10 JJIE N[C@@H](c1cc(Br)ccc1Br)c1cc(Br)cc2c1OCC2 159905316 CIDBWBDHVNLEOB-AWEZNQCLSA-N 461.979 4.957 70 10 JJIE Cc1cc2ncc(CCCNS(=O)(=O)c3ccc(-c4ccc(Cl)c(Cl)c4)cc3)cn2n1 218047565 JECZXQAXCASCGQ-UHFFFAOYSA-N 475.401 4.923 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)COc3cccc(C)c3C)c2)cc1 216680655 KBJJXWLSZHWIIW-UHFFFAOYSA-N 476.529 4.786 70 10 JJIE F[B-](F)(F)c1cnccc1Sc1cc(I)ccc1Br 2316393483 MFXJNRCGWXIEET-UHFFFAOYSA-N 458.857 4.654 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)COc3ccc(C)cc3C)c2)cc1 216676844 UBGPEVBEANBRMF-UHFFFAOYSA-N 476.529 4.786 70 10 JJIE O=C(c1cc(Br)ccc1I)N1CCSc2ccccc21 217500144 KYFFKDRJPLDJMM-UHFFFAOYSA-N 460.134 4.806 70 10 JJIE CC(C)(C)OC(=O)N1CC[C@](COCc2ccccc2)(C(=O)N2CC[C@H]3C[C@@]3([B-](F)(F)F)C2)C1 1879745834 JWCPFCGMZJHIBO-WDJPJFJCSA-N 481.344 4.670 70 10 JJIE CCOC(=O)c1ccc(CNC(=O)NCCCOc2ccc(Br)cc2Cl)cc1 217299176 CRUVBAKMQIRGBW-UHFFFAOYSA-N 469.763 4.548 70 10 JJIE CN(CCCOCc1ccccc1)C(=O)c1cc(Cl)c(Cl)c(S(=O)(=O)Cl)c1 384308285 HVDXIDLPLNHZAO-UHFFFAOYSA-N 450.771 4.600 70 10 JJIE CC(C)(C)c1ccc(OCCCC(=O)NC2CCN(C(=O)C(F)(F)F)CC2)c(Br)c1 216744353 YPGHXEGUWRWRAE-UHFFFAOYSA-N 493.364 4.575 70 10 JJIE O=S(=O)(Cl)c1cc(Br)cc(Cl)c1OCc1ccc(Br)cn1 166850745 UXWIRJLEIIGSLO-UHFFFAOYSA-N 475.973 4.767 70 10 JJIE C[C@H](c1cc(Br)cc(Br)c1NC(=O)OC(C)(C)C)S(=O)(=O)F 1952736337 XOQGAOFTJRQLMA-SSDOTTSWSA-N 461.147 4.919 70 10 JJIE Cc1cc(C)c(NS(=O)(=O)c2cc(Br)cnc2Cl)c(Br)c1 159650246 MYKOJHORXWZVPC-UHFFFAOYSA-N 454.571 4.678 70 10 JJIE CC(=O)CCc1ccc(OCc2cccc(C(=O)Nc3ccc(S(=O)(=O)F)cc3)c2)cc1 1435805497 KFPCGOCZFUDTFO-UHFFFAOYSA-N 455.507 4.698 70 10 JJIE Cc1cc(Br)c(S(=O)(=O)NCc2ccccc2Cl)cc1Br 159533297 ARUOMPBCXGIOML-UHFFFAOYSA-N 453.583 4.652 70 10 JJIE CCc1nc(-c2ccc(Cl)c(Br)c2)nc(NC)c1I 161004759 WYENBQPZKMSVCE-UHFFFAOYSA-N 452.521 4.768 70 10 JJIE N#CC(C1=NC(=O)C(=Cc2ccco2)S1)=P(c1ccccc1)(c1ccccc1)c1ccccc1 2042453443 JQCQGPRRGJIWFY-UHFFFAOYSA-N 478.513 4.982 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)COc2ccc(Cl)cc2)cc1 216657557 CXZSGYBLFOTLHU-UHFFFAOYSA-N 482.920 4.823 70 10 JJIE C[C@H](CI)[C@H]1CC[C@]2(C)C(OS(=O)(=O)C(F)(F)F)=CCC[C@@H]12 616583264 PCIJUJJHXZXOQM-DCQANWLSSA-N 452.276 4.634 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)Cc3cccc(Cl)c3)cc2)cc1 216640025 OMVPBJRMGPZJNM-UHFFFAOYSA-N 466.921 4.987 70 10 JJIE Cc1c(C=O)cc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1OS(=O)(=O)F 1887506154 OLPIYUQZWYECTR-UHFFFAOYSA-N 455.463 4.762 70 10 JJIE CN(c1ncc([B-](F)(F)F)cc1Br)[C@@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]21 2190482969 SVMJPZCWSOCBRJ-ITQYTPKQSA-N 454.119 4.719 70 10 JJIE O=S(=O)(Cl)c1cc(Br)ccc1OCc1cc(F)cc(Br)c1 124673910 LKUGJRVZKZNRES-UHFFFAOYSA-N 458.530 4.857 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)COc3ccc(Cl)cc3)c2)cc1 216682192 NNXLOBFKXIOZRC-UHFFFAOYSA-N 482.920 4.823 70 10 JJIE CC(C)(C)c1ccc(OCCCNC(=O)N(CCO)Cc2ccccc2)c(Br)c1 217298596 HCIQEXKSIRDSOJ-UHFFFAOYSA-N 463.416 4.720 70 10 JJIE O=C(NCCCN1C(=O)c2ccccc2C1=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 217306224 PTZHCQDFEDSCEK-UHFFFAOYSA-N 459.346 4.532 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)CCc3cccc(F)c3)c2)cc1 216691730 IXEKWUIMKJZNOV-UHFFFAOYSA-N 464.493 4.862 70 10 JJIE O=S(=O)(Cl)c1cc(Br)c(OCCC=CBr)c(Br)c1 2051140693 RRLOWQWQCZTKJI-UHFFFAOYSA-N 483.403 4.817 70 10 JJIE CC(C)(C)OC(=O)NC1(CC(=O)N2CCC[C@H]([B-](F)(F)F)C2)CCN(Cc2ccccc2)CC1 2133915398 JYEMLAPHNJFWBB-FQEVSTJZSA-N 482.376 4.776 70 10 JJIE COc1cc([C@@H]2NN=C3CCN(Cc4ccccc4)C[C@H]32)cc(OC)c1OCc1ccccc1 217062553 QLQDGGCYQKJFSY-KCWPFWIISA-N 457.574 4.805 70 10 JJIE O=S(=O)(F)c1cc(Br)c(OCC/C=C/Br)c(Br)c1 2071422457 XMTGPFXCLFKSHL-HNQUOIGGSA-N 466.948 4.547 70 10 JJIE CC(=CBr)COc1c(Br)cc(S(=O)(=O)F)cc1Br 2219385623 UPFFRNOFZZLURX-UHFFFAOYSA-N 466.948 4.547 70 10 JJIE C[C@H](COc1c(Br)cc(Br)cc1Br)CS(=O)(=O)Cl 112159355 FMGMKMRJSDSCRQ-ZCFIWIBFSA-N 485.419 4.558 70 10 JJIE O=S(=O)(Cl)c1ccc(Oc2cc(Br)cc(I)c2)cc1 2338752767 PJYIOHBEWTXEKX-UHFFFAOYSA-N 473.513 4.774 70 10 JJIE Cc1c(C=O)cc(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc1[B-](F)(F)F 1887521790 VYASBHUIWQFNKW-UHFFFAOYSA-N 493.314 4.933 70 10 JJIE CC(C)(C)OC(=O)N1CC[C@](COCc2ccccc2)(C(=O)N2CC[C@](C)([B-](F)(F)F)C2)C1 2319670915 VXPGOFKMLPGBPD-GOTSBHOMSA-N 469.333 4.670 70 10 JJIE Cc1c(C=O)cc([B-](F)(F)F)cc1N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1887521556 BBSDRZKWACFMAR-UHFFFAOYSA-N 493.314 4.933 70 10 JJIE O=C(c1ccc(I)c(Br)c1)N1CC[C@@H]2C[C@@]2([B-](F)(F)F)C1 2194130022 NBHHBNKPNNAOHZ-NOZJJQNGSA-N 472.859 4.507 70 10 JJIE O=S(=O)(Cl)c1cc(Br)cc(Cl)c1OC[C@@]1(Br)CC1(F)F 2202502361 BSCHGXLJIDLBEO-VIFPVBQESA-N 474.932 4.582 70 10 JJIE O=C(N[C@H]1CC[C@H]1OCc1ccccc1)c1csc(S(=O)(=O)Cl)c1OCc1ccccc1 2038736263 GVHMNWYHFZGLCL-VQTJNVASSA-N 492.018 4.732 70 10 JJIE CC(C)(C)OC(=O)Nc1c(Br)cc(Br)cc1CS(=O)(=O)Cl 1952507372 MYXLJKLYIBLSLS-UHFFFAOYSA-N 463.575 4.627 70 10 JJIE O=C(NC1(C(=O)N2CC[C@@H]3C[C@]3([B-](F)(F)F)C2)CC1)OCC1c2ccccc2-c2ccccc21 1902272046 SCUDSKQOMGEGDK-GYCJOSAFSA-N 469.292 4.898 70 10 JJIE O=S(=O)(Cl)c1cc(Br)c(OCCOCc2ccccc2)c(Br)c1 309713217 JYGTWYMSXLRHLI-UHFFFAOYSA-N 484.593 4.735 70 10 JJIE O=S(=O)(Cl)c1cc(Br)c(OCC/C=C/Br)c(Br)c1 2051140692 RRLOWQWQCZTKJI-HNQUOIGGSA-N 483.403 4.817 70 10 JJIE O=Cc1cc(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc([B-](F)(F)F)c1 1887514570 VOYKGXFLNYBLJZ-UHFFFAOYSA-N 479.287 4.625 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)CCc2ccccc2F)cc1 216666498 LYVPJWQYIDMJNI-UHFFFAOYSA-N 464.493 4.862 70 10 JJIE COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)CCc1ccc(Cl)c(C(F)(F)F)c1 217919435 WXHGHYHMISIFTP-KBXCAEBGSA-N 473.850 4.652 70 10 JJIE N[C@H](c1cc(Br)ccc1Br)c1cc2c(cc1Br)OCCO2 159809905 XKGCZJVNDIOJLB-OAHLLOKOSA-N 477.978 4.793 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)CCc3ccc(OC)cc3)cc2)cc1 216642125 DUGRJYDFCXKELU-UHFFFAOYSA-N 476.529 4.732 70 10 JJIE O=C(NC1CC(OCc2ccccc2)C1)c1cc(S(=O)(=O)Cl)cc(Br)c1Cl 716198854 VXWGSXOIRWQAHR-UHFFFAOYSA-N 493.206 4.508 70 10 JJIE CC1(C)C[C@@H](NC(=O)c2cc(S(=O)(=O)Cl)cn2Cc2ccccc2)[C@H]1OCc1ccccc1 2100140461 BAVWCWDLOVOPLQ-FYYLOGMGSA-N 487.021 4.578 70 10 JJIE O=S(=O)(Cl)c1ccc(OCc2ccc(I)cc2)c(Br)c1 115900927 LXZKFFVRHHIHPO-UHFFFAOYSA-N 487.540 4.560 70 10 JJIE O=C(NCCCOc1ccc(Br)cc1Cl)Nc1ccc(Br)cn1 217299203 ZRUOQEHPBPPINU-UHFFFAOYSA-N 463.557 4.851 70 10 JJIE O=S(=O)(Cl)c1ccc(Oc2cccc(I)c2)c(Br)c1 109526915 DJBBRAJCARTPPK-UHFFFAOYSA-N 473.513 4.774 70 10 JJIE CCC[C@H](COCc1cc(I)ccc1Br)CS(=O)(=O)Cl 2367272059 UTYMRVOIJVRWPX-SNVBAGLBSA-N 495.604 4.555 70 10 JJIE O=C(N[C@@H]1CC[C@H]1OCc1ccccc1)c1cc(S(=O)(=O)Cl)cc(Br)c1Cl 2156373702 JAQCLGCVTMMOBA-HZPDHXFCSA-N 493.206 4.508 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)/C=C/c3cccc(F)c3)c2)cc1 216693824 SXUQRQQCZAYVLY-NTEUORMPSA-N 462.477 4.943 70 10 JJIE O=S(=O)(Cl)CCCCCCOCc1ccc(Cl)cc1I 2365680114 RAIOVQZYPUHUGV-UHFFFAOYSA-N 451.153 4.590 70 10 JJIE O=C(Nc1ccc(I)cc1)Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O 217281401 GTNDXLNVTDDXKC-UHFFFAOYSA-N 489.313 4.864 70 10 JJIE F[B-](F)(F)[C@]12C[C@@H]1CCN(Cc1ccc(I)c(Br)c1)C2 2349904336 MRECPBFFNNLUFV-GWCFXTLKSA-N 458.876 4.867 70 10 JJIE CN(CCCOCc1ccccc1)C(=O)c1csc(S(=O)(=O)Cl)c1OCc1ccccc1 2038717864 QELGDYMQWILUIT-UHFFFAOYSA-N 494.034 4.934 70 10 JJIE CC1(F)CC(COc2c(Br)cc(S(=O)(=O)Cl)cc2Br)C1 2185658827 BLXYGPCNAFFYTP-UHFFFAOYSA-N 450.551 4.656 70 10 JJIE O=C(NCCn1nc(C(F)(F)F)c2c1CCCC2)c1cc(Br)ccc1Cl 217531773 GFJOPYYEHTUKLZ-UHFFFAOYSA-N 450.686 4.627 70 10 JJIE O=S(=O)(NC[C@H]1CCCN1c1nccs1)c1ccc(-c2cccc(C(F)(F)F)c2)cc1 217803925 AGOTVZPOKKXRDF-GOSISDBHSA-N 467.538 4.776 70 10 JJIE O=S(=O)(Cl)CCCCCCOCc1cc(I)ccc1Cl 2380347234 UANRZFQGJJSYAK-UHFFFAOYSA-N 451.153 4.590 70 10 JJIE Cc1cc(Cl)c(C(=O)N(C)CCOCc2ccccc2)c(Cl)c1S(=O)(=O)Cl 2381379924 JDVYWTWIWVMIRP-UHFFFAOYSA-N 450.771 4.518 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)Cc3ccc(Cl)cc3)c2)cc1 216690503 VHDVKPQEVGDCTO-UHFFFAOYSA-N 466.921 4.987 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)/C=C/c3cccc(OC)c3)c2)cc1 216693752 VTFFFPMXJRNIRC-XNTDXEJSSA-N 474.513 4.812 70 10 JJIE COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)c1cccc(Oc2ccc(F)cc2)c1 217922833 PXKQEAAQVBLULP-IRLDBZIGSA-N 453.441 4.592 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)CCc3ccc(OC)cc3)cc2)cc1 216642057 IEVJWXAWSJUDQW-UHFFFAOYSA-N 476.529 4.732 70 10 JJIE O=C(NCCCN1C(=O)c2ccc(Br)cc2C1=O)Nc1ccc(Cl)c(Cl)c1 217306375 SCDRLOXBQPHCKW-UHFFFAOYSA-N 471.138 4.564 70 10 JJIE O=S(=O)(Cl)c1cc(Br)cc(Cl)c1OC[C@H]1C[C@H](Br)C1 1887846645 OXZGJVHKPBDDJE-LJGSYFOKSA-N 452.979 4.582 70 10 JJIE Cc1ccc2nc(-c3ccc(NC(=O)NCCN4C(=O)c5ccccc5C4=O)cc3)sc2c1 217282331 XXSSWBZKGFUIGA-UHFFFAOYSA-N 456.527 4.689 70 10 JJIE O=S(=O)(Cl)c1cc(Br)ccc1OCc1cccc(F)c1Br 156666551 QYRDBQHKEFQZQU-UHFFFAOYSA-N 458.530 4.857 70 10 JJIE O=C(c1csc(S(=O)(=O)Cl)c1OCc1ccccc1)N1CC[C@@H](OCc2ccccc2)C1 2038715502 ACXHJJLQRVPOHY-LJQANCHMSA-N 492.018 4.686 70 10 JJIE CCC(CC)(COc1cc(I)ccc1Cl)CS(=O)(=O)Cl 2288277816 IYPPJXRCTBZBQH-UHFFFAOYSA-N 451.153 4.698 70 10 JJIE Cc1c(CN2CCNCC2)cc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1[B-](F)(F)F 1887521553 AYLYQWAVXNAANG-UHFFFAOYSA-N 494.346 4.816 70 10 JJIE O=S(=O)(Cl)c1cc(Br)c(OCCCCC(F)F)c(Br)c1 2238528251 ORWJLZQBDPNYII-UHFFFAOYSA-N 456.530 4.953 70 10 JJIE Cc1c(NC(=O)OCC2c3ccccc3-c3ccccc32)cc(CN2CCNCC2)cc1[B-](F)(F)F 1887521687 KKELCXXHOHPGGZ-UHFFFAOYSA-N 494.346 4.816 70 10 JJIE CN(CCCOCc1ccccc1)C(=O)c1cc(S(=O)(=O)Cl)c(Cl)cc1Cl 384318482 ZMGHVJBXDGFNBR-UHFFFAOYSA-N 450.771 4.600 70 10 JJIE C[C@H](COCc1ccccc1)COc1cc(F)c(S(=O)(=O)Cl)cc1Br 719543664 OQPFPBFDSISHPS-GFCCVEGCSA-N 451.741 4.747 70 10 JJIE Cc1c(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc(CN)cc1[B-](F)(F)F 1887521661 IRDKKNMMUYOPQL-UHFFFAOYSA-N 494.346 4.579 70 10 JJIE O=S(=O)(Cl)c1ccccc1OCc1ccc(I)c(Br)c1 2377633522 SWRAFTBHLPYZEX-UHFFFAOYSA-N 487.540 4.560 70 10 JJIE O=S(=O)(F)c1ccc(OC[C@@H]2CC2(Br)Br)c(Cl)c1Cl 2224810379 VVAGECVSWDZRII-YFKPBYRVSA-N 456.942 4.536 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)/C=C/c3ccc(OC)cc3)cc2)cc1 216644475 LHQHGAWSMPPXSI-CAOOACKPSA-N 474.513 4.812 70 10 JJIE O=C(CCCNC(=O)OCC1c2ccccc2-c2ccccc21)Nc1ccccc1S(=O)(=O)F 2248874545 RKNDPXABXBJWHH-UHFFFAOYSA-N 482.533 4.602 70 10 JJIE COc1ccc(Oc2ccc(S(=O)(=O)Cl)cc2Br)c(Br)c1 124035241 ZXXWLTZEUGAQLD-UHFFFAOYSA-N 456.539 4.940 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)CCOc3ccccc3)cc2)cc1 216632940 UQPKKGZUMBHEMQ-UHFFFAOYSA-N 462.502 4.560 70 10 JJIE C[C@H](CI)[C@H]1CC[C@]2(C)C(OS(=O)(=O)C(F)(F)F)=CCC[C@H]12 616583273 PCIJUJJHXZXOQM-UZWSLXQKSA-N 452.276 4.634 70 10 JJIE CNc1cc(S(=O)(=O)F)cc(CNC(=O)OCC2c3ccccc3-c3ccccc32)c1C 1887520950 IBQASWXFUAAQON-UHFFFAOYSA-N 454.523 4.734 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)COc3ccc(C)c(C)c3)c2)cc1 216680956 JHCWGOZRPUKMJT-UHFFFAOYSA-N 476.529 4.786 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)/C=C/c3ccccc3OC)cc2)cc1 216643207 IKMBZEDCNUTFKH-SFQUDFHCSA-N 474.513 4.812 70 10 JJIE CC[C@@H](NC(=O)NCCCN1C(=O)c2ccc(Br)cc2C1=O)c1ccc2c(c1)CCCC2 217306457 JGGQYNFEPCSYLC-JOCHJYFZSA-N 498.421 4.765 70 10 JJIE O=C(c1ccc(I)c(Br)c1)N1CCC[C@@H]([B-](F)(F)F)C1 2133915388 JWXXDFQCWKBBGQ-SECBINFHSA-N 460.848 4.507 70 10 JJIE CC(C)(C)OC(=O)N1CCC(NC(=O)NCCCOc2ccc(Br)cc2Cl)CC1 217299220 TWJPELABGIFSCR-UHFFFAOYSA-N 490.826 4.570 70 10 JJIE O=S(=O)(Oc1ccc2c(Cl)c(OS(=O)(=O)C(F)(F)F)ccc2c1Cl)C(F)(F)F 197974991 NTEFFURPGCJFKD-UHFFFAOYSA-N 493.186 4.603 70 10 JJIE Cc1cc(Br)c(S(=O)(=O)Nc2c(C)ccnc2Cl)cc1Br 159670707 LKSYZNPUDSETAE-UHFFFAOYSA-N 454.571 4.678 70 10 JJIE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccccc1S(=O)(=O)F 2059396778 DHZHPUWRWUIBOP-DEOSSOPVSA-N 496.560 4.847 70 10 JJIE O=C(c1cc(I)ccc1Br)N1CC[C@H]2C[C@@]2([B-](F)(F)F)C1 2194128165 CIVSZZHNNWOQHS-ISVAXAHUSA-N 472.859 4.507 70 10 JJIE O=S(=O)(Cl)c1cc(Br)ccc1OCc1cc(Br)ccc1F 88270434 IUMJDWALEKHIEB-UHFFFAOYSA-N 458.530 4.857 70 10 JJIE COc1ccc(CCC(=O)NC[C@@H]2CCCN(c3nccs3)C2)cc1OCc1ccccc1 218136331 JFDGGGPVRJZQAE-QFIPXVFZSA-N 465.619 4.696 70 10 JJIE Cc1ncsc1CCOc1c(Br)cc(S(=O)(=O)Cl)cc1Br 215852607 LUNWBAAPIWNQNB-UHFFFAOYSA-N 475.611 4.526 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)CCc2ccc(F)cc2)cc1 216667630 DPOTWRBEJKPLFP-UHFFFAOYSA-N 464.493 4.862 70 10 JJIE CC(C)C[C@H](COc1cc(I)ccc1Cl)CS(=O)(=O)Cl 2382174890 WPUXDRZWSCIEFT-SNVBAGLBSA-N 451.153 4.554 70 10 JJIE Cc1cccc(N2CCN(C(=O)NCCCOc3ccc(Br)cc3Cl)CC2)c1 217299118 WVBZGBILJBAOTM-UHFFFAOYSA-N 466.807 4.712 70 10 JJIE Cn1nc(N2CCC[C@@H](C(=O)Nc3ccccc3-c3csc(-c4ccccc4F)n3)C2)ccc1=O 218613749 GGXJGIWVCCIEIK-QGZVFWFLSA-N 489.576 4.565 70 10 JJIE COc1cc(NC(=O)Nc2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)c(OC)cc1Cl 217281408 FBMNCGLJSOWYBG-UHFFFAOYSA-N 457.914 4.930 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)COc3ccc(C)c(C)c3)cc2)cc1 216629685 BBDIWNAJMIDPSC-UHFFFAOYSA-N 476.529 4.786 70 10 JJIE Cc1c(N)cc([B-](F)(F)F)cc1CN1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1887521689 KSXZBSAGYBPTGJ-UHFFFAOYSA-N 494.346 4.698 70 10 JJIE CCC(F)(F)CCOc1c(Br)cc(S(=O)(=O)Cl)cc1Br 2153571632 AMKNOVFSZBVLON-UHFFFAOYSA-N 456.530 4.953 70 10 JJIE CN(Cc1ccccc1Cl)C(=O)c1cc(Br)ccc1I 217422583 DUQQYDWABFWNCH-UHFFFAOYSA-N 464.528 4.979 70 10 JJIE O=S(=O)(Cl)c1cc(Br)c(OC[C@@H]2CCC2(F)F)c(Br)c1 2360445898 KUHDDQTYJWVJHU-LURJTMIESA-N 454.514 4.563 70 10 JJIE O=S(=O)(Cl)c1cc(Br)c(OCC=C(Cl)Cl)c(Br)c1 403324038 AJBYJYMGDVRHHI-UHFFFAOYSA-N 459.370 4.837 70 10 JJIE CN(Cc1cccc(Cl)c1)C(=O)c1cc(Br)ccc1I 217432197 IKRIZOZBEVURSC-UHFFFAOYSA-N 464.528 4.979 70 10 JJIE O=C1OC2(CCN(S(=O)(=O)c3ccc(Oc4ccccc4Cl)cc3)CC2)c2ccccc21 217550212 MFFLWYZVIRTEEF-UHFFFAOYSA-N 469.946 4.983 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)Cc3ccc(Cl)cc3)c2)cc1 216690432 RISKQLHFTILWIL-UHFFFAOYSA-N 466.921 4.987 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)Cc2ccc(Cl)cc2)cc1 216665974 KWYKWQFIMIBFKX-UHFFFAOYSA-N 466.921 4.987 70 10 JJIE O=S(=O)(Cl)c1cc(Br)c(OCC2(CF)CCC2)c(Br)c1 2165578663 OCRAOLJDFRWGNX-UHFFFAOYSA-N 450.551 4.658 70 10 JJIE O=C(N[C@@H]1CC[C@H]1OCc1ccccc1)c1cc(S(=O)(=O)Cl)c(Br)cc1Cl 2156374320 KLGXDKHNIDSFBA-HZPDHXFCSA-N 493.206 4.508 70 10 JJIE COc1ccc(C(=O)Nc2ccc(NC(=O)c3cccc(Br)c3)cc2)cc1OC 216898440 PPKJBBNVUKIYBW-UHFFFAOYSA-N 455.308 4.971 70 10 JJIE CC(C)(C)OC(=O)NC1(CC(=O)N2CC[C@H]3C[C@]3([B-](F)(F)F)C2)CCN(Cc2ccccc2)CC1 2194132532 KKWJFPCAMKUASO-CPJSRVTESA-N 494.387 4.776 70 10 JJIE CC(C)(C)OC(=O)N1CCN(C(=O)NCCCOc2ccc(C(C)(C)C)cc2Br)CC1 217298808 CIXPLLVUJOQYRJ-UHFFFAOYSA-N 498.462 4.778 70 10 JJIE CCOC(=O)[C@H]1CCCN(C(=O)NCCCOc2ccc(C(C)(C)C)cc2Br)C1 217298577 PZDLHYQIXXKBOB-INIZCTEOSA-N 469.420 4.500 70 10 JJIE O=S(=O)(Cl)c1cc(Br)c(OC[C@H]2C[C@@H](Br)C2)c(Br)c1 1887846470 MOPAPIKDMGCQSN-KNVOCYPGSA-N 497.430 4.691 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)COc3ccccc3CC)cc2)cc1 216636469 SGRYJNNRJWANJC-UHFFFAOYSA-N 476.529 4.732 70 10 JJIE CC(C)(C)OC(=O)N1CC[C@](COCc2ccccc2)(C(=O)N2CCC[C@H]([B-](F)(F)F)C2)C1 2070275052 YZFDYYZQBLLTMO-CVDCTZTESA-N 469.333 4.670 70 10 JJIE COc1ccccc1C(=O)N1[C@H](C(=O)Nc2nnc(Cc3cccc(F)c3)s2)C[C@@H]2CCCC[C@@H]21 216981570 OVTOEQIXBRIUJW-YYWHXJBOSA-N 494.592 4.689 70 10 JJIE Cc1cc(I)ccc1NC(=O)NCCc1ccccc1Br 217383433 KRXBIVUXMNFRND-UHFFFAOYSA-N 459.125 4.726 70 10 JJIE O=C(c1ccc(I)c(Br)c1)N1CC[C@H]2C[C@]2([B-](F)(F)F)C1 2194130033 NBHHBNKPNNAOHZ-ZANVPECISA-N 472.859 4.507 70 10 JJIE O=C(N[C@@H]1CC[C@@H]1OCc1ccccc1)c1cc(Br)cc(S(=O)(=O)Cl)c1Cl 2156379754 YXHRXIKKAJKWCD-CABCVRRESA-N 493.206 4.508 70 10 JJIE CC(C)(C)OC(=O)Nc1c(Br)cc(Br)cc1CCS(=O)(=O)Cl 1952551354 JZLKTIJYFZALHL-UHFFFAOYSA-N 477.602 4.670 70 10 JJIE Cc1c(CN)cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(C)c1OS(=O)(=O)F 1887520017 ZCGOMLPYBAFHHD-UHFFFAOYSA-N 470.522 4.716 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)c2ccc(Br)o2)cc1 216652440 KNMFSIDPJGVFQF-UHFFFAOYSA-N 487.306 4.760 70 10 JJIE Fc1cnc(Sc2cc(I)ccc2Br)c([B-](F)(F)F)c1 2338314053 XBUAQKHDFSCDIL-UHFFFAOYSA-N 476.847 4.793 70 10 JJIE C[C@]1([B-](F)(F)F)CCN(C(=O)c2cc(I)ccc2Br)C1 2342467637 BJLKSLSXBQFWMV-LBPRGKRZSA-N 460.848 4.507 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)CCc2cccc(OC)c2)cc1 216667027 CLUXMTUPEVPLPE-UHFFFAOYSA-N 476.529 4.732 70 10 JJIE Cc1onc(-c2ccccc2Cl)c1C(=O)NCCn1nc(-c2ccncc2)c2c1CCCC2 217456972 ONYVUJUQNJZGPH-UHFFFAOYSA-N 461.953 4.871 70 10 JJIE Cc1cc(I)c(OCC[C@@H](C)CCS(=O)(=O)Cl)cc1Cl 2361595343 KHRJJKDEQYWXAY-SECBINFHSA-N 451.153 4.617 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)Cc3cccc(Cl)c3)cc2)cc1 216640107 VTLFGRPJVBLKHP-UHFFFAOYSA-N 466.921 4.987 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)Cc2ccccc2Cl)cc1 216664997 XYJZLBQXZGOPFC-UHFFFAOYSA-N 466.921 4.987 70 10 JJIE CC(C)(C)OC(=O)NC1(CC(=O)N2CC[C@H]3C[C@@]3([B-](F)(F)F)C2)CCN(Cc2ccccc2)CC1 2194132535 KKWJFPCAMKUASO-NBGIEHNGSA-N 494.387 4.776 70 10 JJIE CCOC(=O)C(C(=O)c1cccc(F)c1)=P(c1ccccc1)(c1ccccc1)c1ccccc1 2325712273 IGYKJJNBPIVLIR-UHFFFAOYSA-N 470.480 4.738 70 10 JJIE CN1CCc2nc(NC(=O)NCCCOc3ccc(C(C)(C)C)cc3Br)sc2C1 217298663 AZLNQCLBGLQMLX-UHFFFAOYSA-N 481.460 4.782 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)/C=C/c3ccc(OC)cc3)cc2)cc1 216644542 NDVAZSBLIZHEHV-CAOOACKPSA-N 474.513 4.812 70 10 JJIE Cc1c(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc(S)cc1OS(=O)(=O)F 1887522400 AAAYMMFNTJWNKG-UHFFFAOYSA-N 473.547 4.916 70 10 JJIE CCC[C@@H](COCc1cc(I)ccc1Br)CS(=O)(=O)Cl 2367272058 UTYMRVOIJVRWPX-JTQLQIEISA-N 495.604 4.555 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)/C=C/c3cccc(OC)c3)c2)cc1 216693681 FJARUQZRQGOABD-XNTDXEJSSA-N 474.513 4.812 70 10 JJIE O=C(NCCCN1C(=O)c2ccc(Br)cc2C1=O)Nc1cc(Cl)ccc1Cl 217306384 ZVTPPOSPYMVVFH-UHFFFAOYSA-N 471.138 4.564 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)c2ccc(Br)o2)cc1 216652507 DODDTTGDHPGOTC-UHFFFAOYSA-N 487.306 4.760 70 10 JJIE COc1ccc(CCC(=O)NC[C@H]2CCCN(c3nccs3)C2)cc1OCc1ccccc1 218136402 JFDGGGPVRJZQAE-JOCHJYFZSA-N 465.619 4.696 70 10 JJIE O=C(c1cc(Br)ccc1I)N1CC[C@@H]2C[C@]2([B-](F)(F)F)C1 2194119740 AUJATPDSMFNNGL-OQPBUACISA-N 472.859 4.507 70 10 JJIE CCOC(=O)C(C(=O)c1ccc(C)cc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1 2325712252 ASAUMMXEHPSZHS-UHFFFAOYSA-N 466.517 4.907 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)/C=C/c3ccccc3F)cc2)cc1 216643267 LYJZVODETMYYAX-LFIBNONCSA-N 462.477 4.943 70 10 JJIE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC[C@H]([B-](F)(F)F)C2)cc1I 2319680518 QPVGBLBGHUYWRX-NSHDSACASA-N 483.057 4.702 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)/C=C/c2cccc(OC)c2)cc1 216669186 FCCCKIQIGWOQFH-LFIBNONCSA-N 474.513 4.812 70 10 JJIE O=S(=O)(NC[C@@H]1CCCN(c2nccs2)C1)c1ccc(Oc2ccccc2Cl)cc1 218192225 DLIJIFCVRWYUGJ-INIZCTEOSA-N 464.012 4.784 70 10 JJIE CN(c1ncc([B-](F)(F)F)cc1Br)[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2172771026 TWPNBQMWKOFUQG-PIIMJCKOSA-N 453.135 4.530 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)Cc3ccccc3Cl)cc2)cc1 216639469 DBQVUEBWZVRAPT-UHFFFAOYSA-N 466.921 4.987 70 10 JJIE O=S(=O)(Cl)c1ccc(OCc2ccc(Br)cc2F)c(Br)c1 59262262 UPVNJEPUAFENQY-UHFFFAOYSA-N 458.530 4.857 70 10 JJIE CC(C)(C)c1ccccc1NC(=O)NCCCN1C(=O)c2ccc(Br)cc2C1=O 217306633 FEDLDMHCRFDOAU-UHFFFAOYSA-N 458.356 4.554 70 10 JJIE COC(=O)c1c(OCc2ccccc2)cc(OCc2ccccc2)cc1OS(=O)(=O)C(F)(F)F 142760492 BHGDFQVLMHUGNI-UHFFFAOYSA-N 496.459 4.860 70 10 JJIE O=S(=O)(Cl)c1cc(Br)c(OCc2ccccc2Br)cc1F 160225564 FOICSMONJNFXHN-UHFFFAOYSA-N 458.530 4.857 70 10 JJIE NC[C@@H](c1ccccc1Br)[C@H](O)c1cc(Br)ccc1Br 161277181 QUQLTKKWFTWCHA-SWLSCSKDSA-N 463.995 4.750 70 10 JJIE O=C(c1ccc(I)c(Br)c1)N1CC[C@@H]2C[C@]2([B-](F)(F)F)C1 2194130025 NBHHBNKPNNAOHZ-RNCFNFMXSA-N 472.859 4.507 70 10 JJIE O=S(=O)(Cl)c1cc(Br)c(OC[C@H]2C[C@H](Br)C2)c(Br)c1 1887846471 MOPAPIKDMGCQSN-LJGSYFOKSA-N 497.430 4.691 70 10 JJIE O=S(=O)(Cl)c1ccc(OCc2cc(F)ccc2Br)c(Br)c1 59211515 MUYJJOUJWHXJGM-UHFFFAOYSA-N 458.530 4.857 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)Cc2ccccc2Cl)cc1 216664931 GZKRAHKGHNAOGP-UHFFFAOYSA-N 466.921 4.987 70 10 JJIE O=C(NC1CC2(C1)CC(OCc1ccccc1)C2)c1cc(S(=O)(=O)Cl)cn1Cc1ccccc1 2160251781 OEUYPSCKORWUTB-UHFFFAOYSA-N 499.032 4.722 70 10 JJIE Brc1cc(Br)c(NCc2nnc3n2CCCC3)c(Br)c1 217317922 LIZXJKQHDPKJGW-UHFFFAOYSA-N 464.987 4.514 70 10 JJIE Cc1c(C=O)cc(OS(=O)(=O)F)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 1887522238 MXQUWSNOWSSHIY-UHFFFAOYSA-N 455.463 4.762 70 10 JJIE O=S(=O)(F)c1cc(Br)c(OCC2(Br)CCC2)c(Br)c1 1875861080 VZCMENRMFKYBBX-UHFFFAOYSA-N 480.975 4.566 70 10 JJIE O=C(NCCn1nc(-c2ccccn2)c2c1CCCC2)NC(c1ccccc1)c1ccccc1 217511743 HLZRWNAXPVSONF-UHFFFAOYSA-N 451.574 4.913 70 10 JJIE F[B-](F)(F)[C@]12C[C@H]1CCN(Cc1ccc(I)c(Br)c1)C2 2349904338 MRECPBFFNNLUFV-MFKMUULPSA-N 458.876 4.867 70 10 JJIE Cc1c(CN)cc([B-](F)(F)F)cc1N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1887521577 BYTCJVSZPBMQPZ-UHFFFAOYSA-N 494.346 4.579 70 10 JJIE CCC[C@@H](COCc1ccc(I)c(Br)c1)CS(=O)(=O)Cl 2377641640 IHJUAGJWHVHBJL-NSHDSACASA-N 495.604 4.555 70 10 JJIE O=S(=O)(Cl)c1cc(Br)c(OC[C@@H]2CC[C@H](F)C2)c(Br)c1 2150332046 WFTOERMUUKPYMP-SFYZADRCSA-N 450.551 4.656 70 10 JJIE O=S(=O)(F)c1cc(Cl)c(OC[C@H]2CC2(Br)Br)c(Cl)c1 2224805827 KRTQZXAWWJYKHH-RXMQYKEDSA-N 456.942 4.536 70 10 JJIE O=C(Nc1ccccc1-c1cn2ccsc2n1)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 218553970 NKXVYEOWPCRGHC-AWEZNQCLSA-N 481.375 4.817 70 10 JJIE Cc1cc2ncc(CCCNS(=O)(=O)c3ccc(-c4cccc(C(F)(F)F)c4)cc3)cn2n1 218047803 YLISORHKYYRKDB-UHFFFAOYSA-N 474.508 4.635 70 10 JJIE CCOC(=O)C1CCN(C(=O)NCCCOc2ccc(C(C)(C)C)cc2Br)CC1 217298445 ZKDBTZLHVZSDQL-UHFFFAOYSA-N 469.420 4.500 70 10 JJIE CC[C@@H](C)c1ccccc1NC(=O)NCCCN1C(=O)c2ccc(Br)cc2C1=O 217306701 BGNYVXSNHJDYLE-CQSZACIVSA-N 458.356 4.770 70 10 JJIE C[C@@]1([B-](F)(F)F)CCN(C(=O)c2ccc(Br)cc2I)C1 2342482900 PCIYRGPERDPGPV-GFCCVEGCSA-N 460.848 4.507 70 10 JJIE CC(C)N1C(=O)c2ccc(NC(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)cc2C1=O 217279067 LMSBQURZXHHJEO-UHFFFAOYSA-N 482.584 4.630 70 10 JJIE CC(C)(C)OC(=O)N1CC[C@](COCc2ccccc2)(C(=O)N2CC[C@@](C)([B-](F)(F)F)C2)C1 2319670916 VXPGOFKMLPGBPD-PKTZIBPZSA-N 469.333 4.670 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)c3ccc(Br)o3)cc2)cc1 216626660 YWZLTHYTWHUGSH-UHFFFAOYSA-N 487.306 4.760 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2)cc1 216640450 BXVSDHNFFLMRAH-UHFFFAOYSA-N 466.921 4.987 70 10 JJIE COc1cc([C@H]2NN=C3CCN(Cc4ccccc4)C[C@H]32)cc(OC)c1OCc1ccccc1 217062583 QLQDGGCYQKJFSY-YIXXDRMTSA-N 457.574 4.805 70 10 JJIE Cc1c(N)cc(CNC(=O)OCC2c3ccccc3-c3ccccc32)c(C)c1OS(=O)(=O)F 1887576938 JSLLWIWWBDJWBH-UHFFFAOYSA-N 470.522 4.517 70 10 JJIE CC1(C)C[C@H](NC(=O)c2cc(S(=O)(=O)Cl)cn2Cc2ccccc2)[C@@H]1OCc1ccccc1 2100140463 BAVWCWDLOVOPLQ-GMAHTHKFSA-N 487.021 4.578 70 10 JJIE C[C@H](CI)[C@@H]1CC[C@]2(C)C(OS(=O)(=O)C(F)(F)F)=CCC[C@@H]12 396026201 PCIJUJJHXZXOQM-BLFANLJRSA-N 452.276 4.634 70 10 JJIE O=S(=O)(Cl)c1cc(Br)c(OCC2(Br)CCC2)c(Br)c1 2111904755 CSHRXQKXPOMELR-UHFFFAOYSA-N 497.430 4.836 70 10 JJIE CC(C)(C)[C@H](COc1cc(Br)cc(I)c1)CS(=O)(=O)Cl 2364050783 JOWLROPFOQYAFD-SECBINFHSA-N 495.604 4.663 70 10 JJIE NC[C@@H](c1ccc(Br)cc1)[C@@H](O)c1cc(Br)ccc1Br 161265773 SJXHQUHMOUGTDS-ZFWWWQNUSA-N 463.995 4.750 70 10 JJIE CC(C)(C)[C@H](COc1cc(I)ccc1Cl)CS(=O)(=O)Cl 2288254836 COHBGTUVOOFHMK-SECBINFHSA-N 451.153 4.554 70 10 JJIE O=C(Nc1cnn(C[C@H]2COc3ccccc3O2)c1)c1ccc2noc(-c3ccccc3)c2c1 218281415 ORNCTECRNUOXQN-FQEVSTJZSA-N 452.470 4.784 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)Cc2cccc(Cl)c2)cc1 216665578 PXDYHGWWVACEJC-UHFFFAOYSA-N 466.921 4.987 70 10 JJIE CC(C)(C)c1ccc(OCCCNC(=O)NC[C@@H]2COc3ccccc3O2)c(Br)c1 217298732 ZBWHZAOLOLWYPZ-QGZVFWFLSA-N 477.399 4.655 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)c3ccc(F)c(F)c3F)cc2)cc1 216636134 RRLNHRNFANYXGA-UHFFFAOYSA-N 472.419 4.822 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)Cc2cccc(Cl)c2)cc1 216665647 ZEJNBNDZCFHYFS-UHFFFAOYSA-N 466.921 4.987 70 10 JJIE F[B-](F)(F)c1cnc(N2[C@H]3CCC[C@H]2CN(Cc2ccccc2)CC3)c(Br)c1 2172768803 NZYQWAQSODPDKW-ROUUACIJSA-N 453.135 4.532 70 10 JJIE O=S(=O)(Cl)c1ccc(OC[C@@H]2CC2(Br)Br)c(Cl)c1Cl 2224802278 BLANLKAYOKMOTR-YFKPBYRVSA-N 473.397 4.806 70 10 JJIE O=C(NCc1ccc(Br)cc1)Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O 217281462 MEWRLIBMAWSQEV-UHFFFAOYSA-N 456.340 4.700 70 10 JJIE Cc1c(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc(OS(=O)(=O)F)c(C)c1N 1887520026 ZIKGGCWVSZFTLO-UHFFFAOYSA-N 470.522 4.517 70 10 JJIE O=S(=O)(Cl)c1ccc(OCc2ccc(F)cc2Br)c(Br)c1 59211508 IUPALUHXEQFCLD-UHFFFAOYSA-N 458.530 4.857 70 10 JJIE O=S(=O)(F)c1cc(Cl)c(OC[C@H]2CC2(Br)Br)cc1Cl 2224810936 XJGJFAWKQSPISW-RXMQYKEDSA-N 456.942 4.536 70 10 JJIE O=C(c1ccc(I)c(Br)c1)N1CC[C@H]2C[C@@]2([B-](F)(F)F)C1 2194130028 NBHHBNKPNNAOHZ-TVQRCGJNSA-N 472.859 4.507 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)COc2ccccc2OCC)cc1 216654732 UEGDQMPWIXIHQL-UHFFFAOYSA-N 492.528 4.568 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)c3ccc(Br)o3)cc2)cc1 216626590 CVULKLBVXJWVQA-UHFFFAOYSA-N 487.306 4.760 70 10 JJIE COCCCN1C(=O)c2ccc(NC(=O)Nc3ccc(Cl)cc3C(F)(F)F)cc2C1=O 217280992 YBBANZSPAYVJSL-UHFFFAOYSA-N 455.820 4.635 70 10 JJIE COC(=O)C(C(=O)C=Cc1ccccc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1 2040464120 AZGRCFYRAQKGLS-UHFFFAOYSA-N 464.501 4.608 70 10 JJIE O=C1O[C@]2(CCCN(S(=O)(=O)c3ccc(Oc4ccccc4Cl)cc3)C2)c2ccccc21 217629194 BIJYTFUXBZHWOC-DEOSSOPVSA-N 469.946 4.983 70 10 JJIE CC(C)(C)OC(=O)N1CC[C@](COCc2ccccc2)(C(=O)N2CC[C@H]3C[C@]3([B-](F)(F)F)C2)C1 1879745832 JWCPFCGMZJHIBO-IGKWTDBASA-N 481.344 4.670 70 10 JJIE C=C(Br)CCOc1c(Br)cc(S(=O)(=O)Cl)cc1Br 2044973955 QKPDJTKMBFNJJM-UHFFFAOYSA-N 483.403 4.817 70 10 JJIE C[C@@H](CCOCc1ccc(I)c(Br)c1)CCS(=O)(=O)Cl 2377634370 IANTVUKOFKSBIZ-JTQLQIEISA-N 495.604 4.555 70 10 JJIE C[C@H](Cc1cc(Br)cc(Br)c1NC(=O)OC(C)(C)C)S(=O)(=O)F 1952831028 CNNHMGVFVSXUQT-MRVPVSSYSA-N 475.174 4.789 70 10 JJIE NC[C@@H](c1ccccc1Br)[C@@H](O)c1cc(Br)ccc1Br 161277430 QUQLTKKWFTWCHA-WFASDCNBSA-N 463.995 4.750 70 10 JJIE CCOC(=O)c1ccccc1NC(=O)NCCCOc1ccc(Br)cc1Cl 217298842 OBEDZBDPWPUTPH-UHFFFAOYSA-N 455.736 4.870 70 10 JJIE CCOc1ccc(CCNC(=O)Nc2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)cc1OCC 217281356 PTFOOZXFTIEVQU-UHFFFAOYSA-N 479.577 4.777 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)/C=C/c3cccc(OC)c3)cc2)cc1 216643805 ABZIVLRUWOLHKY-CXUHLZMHSA-N 474.513 4.812 70 10 JJIE O=C([C@@H]1CC(=O)N(c2cccc(Br)c2)C1)N1CCCC[C@H](c2ccc(F)cc2)C1 217288650 ZKRXUSLGLKLECI-ZWKOTPCHSA-N 459.359 4.737 70 10 JJIE O=S(=O)(Cl)c1cc(Br)c(OC[C@H]2CC[C@@H](F)C2)c(Br)c1 2150332044 WFTOERMUUKPYMP-JGVFFNPUSA-N 450.551 4.656 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)CCc3ccccc3F)cc2)cc1 216641067 KTRCJHKVADPDSM-UHFFFAOYSA-N 464.493 4.862 70 10 JJIE COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1S(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1 218004642 UWNWEWWGTYOLGU-SIKLNZKXSA-N 489.952 4.530 70 10 JJIE CN(CCCOCc1ccccc1)C(=O)c1cc(Cl)c(Br)c(S(=O)(=O)Cl)c1 384318496 ZPBYHMOGLKNKPS-UHFFFAOYSA-N 495.222 4.709 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)/C=C/c2ccccc2F)cc1 216668678 JBCMTPHKWRTCSP-DTQAZKPQSA-N 462.477 4.943 70 10 JJIE O=C(N[C@H]1CC[C@@H]1OCc1ccccc1)c1cc(Br)cc(S(=O)(=O)Cl)c1Cl 2156379755 YXHRXIKKAJKWCD-GJZGRUSLSA-N 493.206 4.508 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)Cc3ccc(Cl)cc3)cc2)cc1 216640528 GVAOMVBUNHKWFJ-UHFFFAOYSA-N 466.921 4.987 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)c3ccc4nc(C)c(C)nc4c3)cc2)cc1 216632316 WZEKDXCBQCEKHE-UHFFFAOYSA-N 498.539 4.964 70 10 JJIE O=C(c1cc(I)ccc1Br)N1CC[C@@H]2C[C@]2([B-](F)(F)F)C1 2194128166 CIVSZZHNNWOQHS-OQPBUACISA-N 472.859 4.507 70 10 JJIE O=C(c1cc(I)ccc1Br)N1CC[C@H]2C[C@]2([B-](F)(F)F)C1 2194128167 CIVSZZHNNWOQHS-SDBXPKJASA-N 472.859 4.507 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)Cc3ccccc3Cl)c2)cc1 216689383 JKBXKFPJDNGXHQ-UHFFFAOYSA-N 466.921 4.987 70 10 JJIE O=C(Nc1ccc(-c2ccccc2)cc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 217269016 QOMFQKWBWWKLBG-UHFFFAOYSA-N 471.966 4.672 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)CCc3ccccc3OC)cc2)cc1 216640869 VCXZDSBZQJEQOU-UHFFFAOYSA-N 476.529 4.732 70 10 JJIE O=C(NCCCN1C(=O)c2ccc(Br)cc2C1=O)Nc1cccc(Cl)c1Cl 217306383 KKGUDUSCKABCPM-UHFFFAOYSA-N 471.138 4.564 70 10 JJIE O=C(N[C@H]1CC[C@H]1OCc1ccccc1)c1cc(S(=O)(=O)Cl)c(Br)cc1Cl 2156374321 KLGXDKHNIDSFBA-JKSUJKDBSA-N 493.206 4.508 70 10 JJIE Cc1c(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc(C=O)cc1[B-](F)(F)F 1887521760 QIIRSDMAKGDYBS-UHFFFAOYSA-N 493.314 4.933 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)COc2ccc(C)c(C)c2)cc1 216655496 VAHVROLRRSVLFP-UHFFFAOYSA-N 476.529 4.786 70 10 JJIE O=C(c1ccc(Br)cc1I)N1CC[C@H]2C[C@@]2([B-](F)(F)F)C1 2207274824 GABBSLLYSHWWRF-ISVAXAHUSA-N 472.859 4.507 70 10 JJIE Cc1cc(I)c(OCC[C@H](C)CCS(=O)(=O)Cl)cc1Cl 2361595344 KHRJJKDEQYWXAY-VIFPVBQESA-N 451.153 4.617 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)c3ccc4nc(C)c(C)nc4c3)c2)cc1 216682327 HOMLKKSUTAGBNP-UHFFFAOYSA-N 498.539 4.964 70 10 JJIE O=C(c1cc(Br)ccc1I)N1CCC[C@H]([B-](F)(F)F)C1 2133916041 ZALYAKHVYXQCGS-QMMMGPOBSA-N 460.848 4.507 70 10 JJIE Cc1cc(Br)cc(S(=O)(=O)Cl)c1OC[C@@H]1CC1(Br)Br 2224805523 JYZHBZQMJPPOKG-ZETCQYMHSA-N 497.430 4.570 70 10 JJIE O=S(=O)(Cl)c1cccc(OCc2cc(I)ccc2Br)c1 2367502580 CPAVASVHYQFZIL-UHFFFAOYSA-N 487.540 4.560 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)COc3ccccc3CC)c2)cc1 216686543 BYQCKFGTFRAAES-UHFFFAOYSA-N 476.529 4.732 70 10 JJIE CC(C)(C)OC(=O)NC1(CC(=O)N2CCC[C@@H]([B-](F)(F)F)C2)CCN(Cc2ccccc2)CC1 2133915413 JYEMLAPHNJFWBB-HXUWFJFHSA-N 482.376 4.776 70 10 JJIE Cc1cccc(N2CCN(C(=O)Nc3ccc4c(c3)C(=O)N(C3CCCCC3)C4=O)CC2)c1C 217281410 VJAHBWJWYUSHHL-UHFFFAOYSA-N 460.578 4.586 70 10 JJIE COc1ccc(C(=O)N2CCC(CNC(=O)CCCOc3ccc(C(C)(C)C)cc3)CC2)cc1OC 216871865 WFHNYDVLUOYGGO-UHFFFAOYSA-N 496.648 4.829 70 10 JJIE CCCCc1ccc(NC(=O)NCCCN2C(=O)c3ccc(Br)cc3C2=O)cc1 217306391 PBRVHLMXTBHZMR-UHFFFAOYSA-N 458.356 4.600 70 10 JJIE N#CC(C1=NC(=O)/C(=C/c2ccco2)S1)=P(c1ccccc1)(c1ccccc1)c1ccccc1 105912203 JQCQGPRRGJIWFY-XHPQRKPJSA-N 478.513 4.982 70 10 JJIE O=S(=O)(Cl)c1cc(Br)cc(Cl)c1OCC1CC(Br)C1 1887846646 OXZGJVHKPBDDJE-UHFFFAOYSA-N 452.979 4.582 70 10 JJIE O=S(=O)(Cl)c1ccc(Oc2ccc(I)cc2)c(Br)c1 109526911 GUDMIKSCJVSOHE-UHFFFAOYSA-N 473.513 4.774 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)Cc3ccccc3Cl)c2)cc1 216689447 QUHCRSOJXSWVIB-UHFFFAOYSA-N 466.921 4.987 70 10 JJIE COCCCN1C(=O)c2ccc(NC(=O)N(Cc3ccccc3)Cc3ccccc3)cc2C1=O 217280866 ALULGZDYQOZEHQ-UHFFFAOYSA-N 457.530 4.553 70 10 JJIE O=C(NCCn1nc(-c2ccccn2)c2c1CCCC2)C1c2ccccc2Oc2ccccc21 217492643 SDDUREBQZMBBOI-UHFFFAOYSA-N 450.542 4.878 70 10 JJIE Cc1cc(Br)cc(S(=O)(=O)Cl)c1OC[C@H]1CC1(Br)Br 2224805521 JYZHBZQMJPPOKG-SSDOTTSWSA-N 497.430 4.570 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)Cc3ccc(OCC)cc3)c2)cc1 216681687 ZTCZUDWBZAEGKN-UHFFFAOYSA-N 476.529 4.732 70 10 JJIE CCN(CCCOCc1ccccc1)C(=O)c1cc(S(=O)(=O)Cl)cn1Cc1ccccc1 2035640699 CGXMNCPIIDLNLI-UHFFFAOYSA-N 475.010 4.533 70 10 JJIE Cc1c(I)cc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1C[B-](F)(F)F 1887520809 GROYFGBUFLVFJT-UHFFFAOYSA-N 483.101 4.586 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)CCc3cccc(OC)c3)cc2)cc1 216641588 RKAKNLOZOXOOMI-UHFFFAOYSA-N 476.529 4.732 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)COc3ccccc3OCC)cc2)cc1 216628906 WXEJUVHMEDLMJR-UHFFFAOYSA-N 492.528 4.568 70 10 JJIE Cc1nc(Sc2cc(I)ccc2Br)ccc1[B-](F)(F)F 2338309382 XUEHSTSBQRXJBK-UHFFFAOYSA-N 472.884 4.963 70 10 JJIE CNc1cc(C)nc(COc2c(Br)cc(Br)cc2Br)n1 159896163 AEEBTSSHSPBHGQ-UHFFFAOYSA-N 465.971 4.693 70 10 JJIE COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1S(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1 218004812 UWNWEWWGTYOLGU-DENIHFKCSA-N 489.952 4.530 70 10 JJIE Cc1c(C=O)cc(N(C)C(=O)OCC2c3ccccc3-c3ccccc32)cc1OS(=O)(=O)F 1887521651 CYPPSTOBZZJBBR-UHFFFAOYSA-N 469.490 4.786 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)/C=C/c2ccccc2OC)cc1 216668552 DTWMIUHNXICXNG-SAPNQHFASA-N 474.513 4.812 70 10 JJIE F[B-](F)(F)c1cccnc1Sc1cc(I)ccc1Br 2316393584 NKVCSGNIWDOZED-UHFFFAOYSA-N 458.857 4.654 70 10 JJIE CCC[C@@H](COc1cc(Cl)c(C)cc1I)CS(=O)(=O)Cl 2361595428 KWNVAJIFOKZXCM-JTQLQIEISA-N 451.153 4.617 70 10 JJIE O=S(=O)(Cl)c1ccc(OC[C@H]2CC2(Br)Br)c(Cl)c1Cl 2224802275 BLANLKAYOKMOTR-RXMQYKEDSA-N 473.397 4.806 70 10 JJIE O=S(=O)(Cl)c1cc(Br)c(OCc2ccncc2Cl)c(Br)c1 215852337 IFYPLQZSKWLLKK-UHFFFAOYSA-N 475.973 4.767 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)c2ccc3nc(C)c(C)nc3c2)cc1 216657693 JEQORGIHPALXBW-UHFFFAOYSA-N 498.539 4.964 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)c3ccc4nc(C)c(C)nc4c3)c2)cc1 216682378 NPCRRCGXOUPWBI-UHFFFAOYSA-N 498.539 4.964 70 10 JJIE O=C(c1cc(Br)ccc1I)N1CCC[C@@H]([B-](F)(F)F)C1 2133916040 ZALYAKHVYXQCGS-MRVPVSSYSA-N 460.848 4.507 70 10 JJIE CC(C)(COc1c(Br)cc(S(=O)(=O)Cl)cc1Br)C(F)F 2145329246 NMDRTZCSFSCZLY-UHFFFAOYSA-N 456.530 4.809 70 10 JJIE C[C@]1([B-](F)(F)F)CCN(C(=O)c2ccc(I)c(Br)c2)C1 2342481648 JHQBLXPWDRPVFW-LBPRGKRZSA-N 460.848 4.507 70 10 JJIE O=C(N[C@@H]1CC[C@@H]1OCc1ccccc1)c1cc(S(=O)(=O)Cl)cc(Br)c1Cl 2156373700 JAQCLGCVTMMOBA-CVEARBPZSA-N 493.206 4.508 70 10 JJIE O=S(=O)(Cl)c1ccccc1OCc1cc(I)ccc1Br 2367506405 PQHXIBSIKWMVFI-UHFFFAOYSA-N 487.540 4.560 70 10 JJIE Cc1c(C[B-](F)(F)F)cc(I)cc1N1CCN(C(=O)OC(C)(C)C)CC1 1887521039 NIMYROJBYPBXRK-UHFFFAOYSA-N 483.101 4.586 70 10 JJIE O=S(=O)(Cl)c1cc(Cl)c(OC[C@@H]2CC2(Br)Br)c(Cl)c1 2224802497 BXJUEQFXVZLZNS-YFKPBYRVSA-N 473.397 4.806 70 10 JJIE O=C(c1ccc(Br)cc1I)N1CC[C@@H]2C[C@]2([B-](F)(F)F)C1 2207274825 GABBSLLYSHWWRF-OQPBUACISA-N 472.859 4.507 70 10 JJIE O=S(=O)(NC[C@H]1CCCN(c2nccs2)C1)c1ccc(Oc2ccccc2Cl)cc1 218192317 DLIJIFCVRWYUGJ-MRXNPFEDSA-N 464.012 4.784 70 10 JJIE COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)CCc1ccc(Cl)c(C(F)(F)F)c1 217919346 WXHGHYHMISIFTP-KSSFIOAISA-N 473.850 4.652 70 10 JJIE COc1ccc([B-](F)(F)F)c(Sc2cc(I)ccc2Br)n1 2363626026 UPVFAJXKQMTEFJ-UHFFFAOYSA-N 488.883 4.663 70 10 JJIE O=S(=O)(NC[C@@H]1CCCN1c1nccs1)c1ccc(-c2cccc(C(F)(F)F)c2)cc1 217803869 AGOTVZPOKKXRDF-SFHVURJKSA-N 467.538 4.776 70 10 JJIE O=C(c1cc(Br)ccc1I)N1CC[C@H]2C[C@@]2([B-](F)(F)F)C1 2194119739 AUJATPDSMFNNGL-ISVAXAHUSA-N 472.859 4.507 70 10 JJIE CC(C)(C)OC(=O)NC1(CC(=O)N2CCC([B-](F)(F)F)CC2)CCN(Cc2ccccc2)CC1 2231049394 PRGSIAFECVFLOG-UHFFFAOYSA-N 482.376 4.776 70 10 JJIE C[C@H](CCOc1c(Br)cc(S(=O)(=O)Cl)cc1Br)C(F)F 2157750000 IFTLKBBXBHICGI-ZCFIWIBFSA-N 456.530 4.809 70 10 JJIE NC(=S)c1cc(Br)ccc1NC(=O)c1cc(Br)ccc1Br 159968017 MIFBQPAANBRQFQ-UHFFFAOYSA-N 493.018 4.861 70 10 JJIE O=C(NCCCOc1ccc(Br)cc1Cl)N1CCN(c2ccc(F)cc2)CC1 217298933 VFVMYDCQJUKNBB-UHFFFAOYSA-N 470.770 4.542 70 10 JJIE O=S(=O)(Cl)c1ccc(OCc2cc(Br)ccc2F)c(Br)c1 59100047 DKHNHAIRTHTJBC-UHFFFAOYSA-N 458.530 4.857 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)/C=C/c2cccc(F)c2)cc1 216669310 VVEVYUNCJWEWBT-XNTDXEJSSA-N 462.477 4.943 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)/C=C/c3ccc(F)cc3)cc2)cc1 216644607 FVXKIRZKGLWADK-FRKPEAEDSA-N 462.477 4.943 70 10 JJIE O=C(NCCCOc1ccc(Br)cc1Cl)Nc1cc(Br)ccn1 217299206 XEMWIRRGMUFIIK-UHFFFAOYSA-N 463.557 4.851 70 10 JJIE CC(C)(C)OC(=O)N(CCCC(=O)Nc1ccccc1S(=O)(=O)F)Cc1ccccc1 2010539328 RAEHHGWCVPMGMM-UHFFFAOYSA-N 450.532 4.501 70 10 JJIE CC(=CBr)COc1c(Br)cc(S(=O)(=O)Cl)cc1Br 2219379488 YMXIPNQNQWPTSK-UHFFFAOYSA-N 483.403 4.817 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)CCc3ccccc3F)c2)cc1 216691059 PPIDMSQASHFEGA-UHFFFAOYSA-N 464.493 4.862 70 10 JJIE C/C(=C\Br)COc1c(Br)cc(S(=O)(=O)F)cc1Br 2219390354 UPFFRNOFZZLURX-GQCTYLIASA-N 466.948 4.547 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)c3ccc(OCC)cc3)cc2)cc1 216626993 IUUAGLOHFZWDIO-UHFFFAOYSA-N 462.502 4.803 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)COc3ccc(OCC)cc3)cc2)cc1 216635246 PVPACXHUWGZHOJ-UHFFFAOYSA-N 492.528 4.568 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)COc3cccc(C)c3C)cc2)cc1 216629381 SVFXIDHOOWFGBM-UHFFFAOYSA-N 476.529 4.786 70 10 JJIE Cc1ccc(C(=O)NC(C=S)=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 207607003 JUHMWLJGWRVTGA-UHFFFAOYSA-N 453.547 4.849 70 10 JJIE COC(=O)C(=NC(=O)c1ccccc1)C(Cl)=P(c1ccccc1)(c1ccccc1)c1ccccc1 2297515841 WVHOXFIWAHESBA-UHFFFAOYSA-N 499.934 4.804 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)CCCOc3ccccc3)c2)cc1 216681421 AQXDYBUBBPVQPS-UHFFFAOYSA-N 476.529 4.950 70 10 JJIE O=C(c1cc(Br)ccc1I)N1CC[C@@H]2C[C@@]2([B-](F)(F)F)C1 2194119738 AUJATPDSMFNNGL-AMIZOPFISA-N 472.859 4.507 70 10 JJIE CCOC(=O)c1c(NC(=O)[C@@H]2C[C@@H]2c2ccc(OC)cc2)sc2c1[C@H](C(=O)OCC)CCC2 216699936 VGRLSWJNMWSXAE-KZNAEPCWSA-N 471.575 4.659 70 10 JJIE CNc1cc(CNC(=O)OCC2c3ccccc3-c3ccccc32)c(C)c(S(=O)(=O)F)c1 1887578306 SKNANWZWARUVQL-UHFFFAOYSA-N 454.523 4.734 70 10 JJIE O=C(NC1(C(=O)N2CC[C@H]3C[C@]3([B-](F)(F)F)C2)CC1)OCC1c2ccccc2-c2ccccc21 1902272045 SCUDSKQOMGEGDK-FYSMJZIKSA-N 469.292 4.898 70 10 JJIE O=C(NCCCOc1ccc(Br)cc1Cl)N1CCN(c2ccccc2F)CC1 217299147 KHRDBXGMIRKHGM-UHFFFAOYSA-N 470.770 4.542 70 10 JJIE C[C@H](C(=O)Nc1ccccc1-c1csc(-c2ccccc2F)n1)n1nc(-n2cccn2)ccc1=O 218613359 GWOJMXXNCZUDPY-MRXNPFEDSA-N 486.532 4.558 70 10 JJIE O=S(=O)(Cl)c1cc(Cl)c(OC[C@H]2CC2(Br)Br)cc1Cl 2224810707 WSUWPLNBJZNGDE-RXMQYKEDSA-N 473.397 4.806 70 10 JJIE CC(C)(C)OC(=O)Nc1cc(F)c(Br)cc1[C@H](CS(=O)(=O)Cl)C1CC1 1952681932 DGGDTOPOZAHEMC-LLVKDONJSA-N 456.761 4.997 70 10 JJIE Cc1cccc(C(C)C)c1NC(=O)NCCCN1C(=O)c2ccc(Br)cc2C1=O 217306377 DHNJIUIETUFERD-UHFFFAOYSA-N 458.356 4.689 70 10 JJIE CN(CCOCc1ccccc1)C(=O)c1c(Cl)c(Cl)cc(S(=O)(=O)Cl)c1Cl 384305754 CCPLRWLDKJFWAL-UHFFFAOYSA-N 471.189 4.863 70 10 JJIE CC(C)(C)OC(=O)Nc1cc(I)cc(C(=O)N2CC[C@H]([B-](F)(F)F)C2)c1 2319674630 MYKDZXHEDLYZOS-NSHDSACASA-N 483.057 4.702 70 10 JJIE Cc1c(N)c(C)c(OS(=O)(=O)F)c(C)c1CNC(=O)OCC1c2ccccc2-c2ccccc21 1887511608 JGPSUMYQBFRTQE-UHFFFAOYSA-N 484.549 4.826 70 10 JJIE CC(C)(C)OC(=O)Nc1ccc(I)c([C@@H](CS(=O)(=O)Cl)C2CC2)c1 1952810643 TYAYIXXOTXGZGQ-ZDUSSCGKSA-N 485.771 4.700 70 10 JJIE O=S(=O)(Cl)c1cc(Br)cc(Cl)c1OC[C@H]1C[C@@H](Br)C1 1887846644 OXZGJVHKPBDDJE-KNVOCYPGSA-N 452.979 4.582 70 10 JJIE O=S(=O)(Cl)CCCCCCCOc1cc(I)ccc1Cl 2294695660 ZVXXFNVIQLRSJV-UHFFFAOYSA-N 451.153 4.843 70 10 JJIE COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)c1cccc(Oc2ccc(F)cc2)c1 217922919 PXKQEAAQVBLULP-IFMALSPDSA-N 453.441 4.592 70 10 JJIE O=C(N[C@H]1CC[C@H]1OCc1ccccc1)c1cc(Br)cc(S(=O)(=O)Cl)c1Cl 2156379757 YXHRXIKKAJKWCD-LSDHHAIUSA-N 493.206 4.508 70 10 JJIE O=C1C[C@@H](c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)N1S(=O)(=O)Cl 2016741883 VZXLANOSGQRZFV-FQEVSTJZSA-N 457.935 4.602 70 10 JJIE C[C@@]1([B-](F)(F)F)CCN(C(=O)c2cc(Br)ccc2I)C1 2342484410 BVYBCJICXOQSJF-GFCCVEGCSA-N 460.848 4.507 70 10 JJIE CCNc1nnc(COc2c(Br)cc(Br)cc2Br)s1 159546129 OQAZIWOYPYEMMQ-UHFFFAOYSA-N 472.000 4.836 70 10 JJIE O=C([C@H]1CC(=O)N(c2cccc(Br)c2)C1)N1CCCC[C@H](c2ccc(F)cc2)C1 217288652 ZKRXUSLGLKLECI-ROUUACIJSA-N 459.359 4.737 70 10 JJIE COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1S(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1 218004715 UWNWEWWGTYOLGU-KNQAVFIVSA-N 489.952 4.530 70 10 JJIE CCOC(=O)C(C(=O)c1cccc(C)c1)=P(c1ccccc1)(c1ccccc1)c1ccccc1 2325712292 QNHNKZJYSOJEGR-UHFFFAOYSA-N 466.517 4.907 70 10 JJIE CC(C)(C)c1ccc(OCCCC(=O)N2CCC(NC(=O)C(F)(F)F)CC2)c(Br)c1 216744291 KFIPUJRURBIWER-UHFFFAOYSA-N 493.364 4.575 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)CCOc2ccccc2)cc1 216658275 NCHBNNXAUPNJTN-UHFFFAOYSA-N 462.502 4.560 70 10 JJIE O=C(Cn1cnc2ccccc2c1=O)Nc1ccccc1-c1csc(-c2ccccc2F)n1 218607765 RDYOHJTVVIPKDO-UHFFFAOYSA-N 456.502 4.965 70 10 JJIE Cc1c(CN)cc(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc1[B-](F)(F)F 1887521750 OOBSGRFSRWHFKY-UHFFFAOYSA-N 494.346 4.579 70 10 JJIE O=C(N[C@H]1CC[C@@H]1OCc1ccccc1)c1cc(Cl)c(Br)c(S(=O)(=O)Cl)c1 2156375509 NAYUNGIPKVPBQD-GJZGRUSLSA-N 493.206 4.508 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)COc3ccccc3OCC)cc2)cc1 216628973 JDPICNMCXFVBRK-UHFFFAOYSA-N 492.528 4.568 70 10 JJIE O=S(=O)(Cl)c1cc(Br)c(OCC(Cl)=CCl)c(Br)c1 1877924815 LEXRMMAJDNUFLO-UHFFFAOYSA-N 459.370 4.837 70 10 JJIE NC[C@H](c1ccccc1Br)[C@@H](O)c1cc(Br)ccc1Br 161277305 QUQLTKKWFTWCHA-DOMZBBRYSA-N 463.995 4.750 70 10 JJIE COc1ccc(C(=O)NCC2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)cc1OC 216867047 LROCFTHJWTVXJS-UHFFFAOYSA-N 472.585 4.504 70 10 JJIE O=C(c1ccc(Br)cc1I)N1CC[C@H]2C[C@]2([B-](F)(F)F)C1 2207274826 GABBSLLYSHWWRF-SDBXPKJASA-N 472.859 4.507 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)Cc3ccc(OCC)cc3)cc2)cc1 216631584 IQSVSSWGORXMES-UHFFFAOYSA-N 476.529 4.732 70 10 JJIE O=C(CCc1cc(Br)ccc1OC(F)F)NC[C@@H]1CCCN1c1ccccc1 217826955 SRVGTINCPBGLTA-SFHVURJKSA-N 453.327 4.768 70 10 JJIE CN(c1ncc([B-](F)(F)F)cc1Br)[C@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]12 2357064175 SVMJPZCWSOCBRJ-RUENVJTFSA-N 454.119 4.719 70 10 JJIE CN(CCCOCc1ccccc1)C(=O)c1cc(Cl)cc(S(=O)(=O)Cl)c1Cl 384311361 MQSRCUJPBOPNFZ-UHFFFAOYSA-N 450.771 4.600 70 10 JJIE O=C(NC1CC(OCc2ccccc2)C1)c1cc(Br)cc(S(=O)(=O)Cl)c1Cl 716194589 BPEHGAQXMXDJPH-UHFFFAOYSA-N 493.206 4.508 70 10 JJIE O=S(=O)(Cl)c1cc(Br)c(OCC2(CCF)CC2)c(Br)c1 2195209587 DEHHTEDRPJRYOT-UHFFFAOYSA-N 450.551 4.658 70 10 JJIE CC(C)C[C@@H](COc1cc(Br)cc(I)c1)CS(=O)(=O)Cl 2382174550 REBZPYUDCNPUKU-JTQLQIEISA-N 495.604 4.663 70 10 JJIE C[C@H](COCc1ccccc1)COc1c(Cl)cc(Br)cc1S(=O)(=O)F 2071424911 VCEJCBLTSSSPHU-GFCCVEGCSA-N 451.741 4.992 70 10 JJIE CC(C)(C)OC(=O)NC1(CC(=O)N2CC[C@](C)([B-](F)(F)F)C2)CCN(Cc2ccccc2)CC1 2342474369 ZYCKHTOHUMVGKD-QHCPKHFHSA-N 482.376 4.776 70 10 JJIE C[C@H](CI)[C@@H]1CC[C@]2(C)C(OS(=O)(=O)C(F)(F)F)=CCC[C@H]12 396026202 PCIJUJJHXZXOQM-XZUYRWCXSA-N 452.276 4.634 70 10 JJIE O=C(NCCCN1C(=O)c2ccc(Br)cc2C1=O)Nc1ccc(Cl)cc1Cl 217306393 WCYYCFMKNYMVKX-UHFFFAOYSA-N 471.138 4.564 70 10 JJIE O=S(=O)(Cl)c1ccc(Oc2ccccc2I)c(Br)c1 109526935 MVBGDOJMQWNQEK-UHFFFAOYSA-N 473.513 4.774 70 10 JJIE O=S(=O)(Cl)c1ccc(OCc2cccc(F)c2Br)c(Br)c1 156666396 NMQIZSZLCUBFIW-UHFFFAOYSA-N 458.530 4.857 70 10 JJIE O=S(=O)(Cl)c1cc(Br)cc(Cl)c1OCC1(Br)CCC1 2111906769 ZVRIGWJQNFXPGW-UHFFFAOYSA-N 452.979 4.726 70 10 JJIE CC[C@@H](COc1c(Br)cc(Br)cc1Br)CS(=O)(=O)Cl 114762320 ATYLNVGGYHQHNT-ZETCQYMHSA-N 499.446 4.948 70 10 JJIE O=S(=O)(Cl)c1ccccc1Oc1cc(Br)cc(I)c1 2338896093 UESONZFGZHXLKJ-UHFFFAOYSA-N 473.513 4.774 70 10 JJIE CN(c1ncc([B-](F)(F)F)cc1Br)C1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2172771025 TWPNBQMWKOFUQG-JWTNVVGKSA-N 453.135 4.530 70 10 JJIE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccccc1S(=O)(=O)F 2301723290 QXLVKDFMZZGFFP-OAQYLSRUSA-N 482.533 4.601 70 10 JJIE COc1cc(Br)ccc1C(=O)Nc1c(Br)cc(N)cc1Br 160579143 KVMCPFDBXFYREO-UHFFFAOYSA-N 478.966 4.817 70 10 JJIE Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cnn(C[C@@H]2COc3ccccc3O2)c1 218268532 IPAYLUQOABGYRV-MRXNPFEDSA-N 450.882 4.592 70 10 JJIE CCOc1ccc(CCNC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1OC 217308137 PWPQZXPIAJWOIB-UHFFFAOYSA-N 473.617 4.753 70 10 JJIE O=C(NCCn1nc(-c2ccncc2)c2c1CCCC2)NC(c1ccccc1)c1ccccc1 217474588 NVMGRKHYZZEDDE-UHFFFAOYSA-N 451.574 4.913 70 10 JJIE CCc1cc(Br)cc(S(=O)(=O)F)c1OC[C@@H]1CC1(Br)Br 2233038312 IZKSJMNZHHMNTR-QMMMGPOBSA-N 495.002 4.555 70 10 JJIE O=S(=O)(Cl)c1ccc(OCc2cc(I)ccc2Br)cc1 2367503988 NMWZXKNLJCWVSA-UHFFFAOYSA-N 487.540 4.560 70 10 JJIE Cc1cc(Br)c(S(=O)(=O)N(C)Cc2sccc2C)cc1Br 159597506 MWJDBQPXCYMIKW-UHFFFAOYSA-N 453.221 4.711 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)CCc2cccc(F)c2)cc1 216667087 OMBGUIKABWPNGE-UHFFFAOYSA-N 464.493 4.862 70 10 JJIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)CCc3ccc(OC)cc3)c2)cc1 216692070 ZUUQHSQEFCOBKA-UHFFFAOYSA-N 476.529 4.732 70 10 JJIE CCOC(=O)C(N=Nc1ccccc1)=P(N=S(C)(C)=O)(c1ccccc1)c1ccccc1 263627470 NFVBTBFLHSEFRL-UHFFFAOYSA-N 467.531 4.775 70 10 JJIE O=C(N[C@H]1CC[C@@H]1OCc1ccccc1)c1cc(S(=O)(=O)Cl)c(Br)cc1Cl 2156374319 KLGXDKHNIDSFBA-HOTGVXAUSA-N 493.206 4.508 70 10 JJIE CCCCn1c(S[C@H](C)C(=O)Nc2ccccc2Br)nnc1[C@H](CC)N(C)C 218630426 BNMGDQGGCRTVSX-PBHICJAKSA-N 468.465 4.973 70 10 JJIE