smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCOc1c(C)cc(S(=O)(=O)NCCn2nc(-c3ccccn3)c3c2CCCC3)cc1C 217505489 TVSNOUNKMPTVPX-UHFFFAOYSA-N 454.596 3.818 70 10 JHIE Nc1cc(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc(S(=O)(=O)F)c1 1887514653 GQCBVXKEHRDMJX-UHFFFAOYSA-N 495.576 3.994 70 10 JHIE O=C(NC[C@H]1CCCN(c2nccs2)C1)c1ccc(NS(=O)(=O)c2cccc(F)c2)cc1 218131693 PNEWLFGWGMKSOJ-MRXNPFEDSA-N 474.583 3.729 70 10 JHIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)[C@H]3CC(=O)N(C(C)(C)C)C3)c2)cc1 216679629 JTEUKAGXSHEYIL-IBGZPJMESA-N 481.549 3.737 70 10 JHIE O=C(NCCCN1C(=O)c2ccc(Br)cc2C1=O)NCc1ccccc1Cl 217306414 TXHSLVWISXJCIJ-UHFFFAOYSA-N 450.720 3.588 70 10 JHIE COc1ccc(C(=O)N2CCC(NC(=O)/C=C/c3cccc(Br)c3)CC2)cc1OC 216895088 RXQFVPHWFSXJBC-RMKNXTFCSA-N 473.367 3.901 70 10 JHIE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1S(=O)(=O)F 2060817398 DKVNZMLPNCPIMK-HNAYVOBHSA-N 466.531 3.782 70 10 JHIE O=C(N[C@H]1CC[C@H]1OCc1ccccc1)c1cc(Br)cc(S(=O)(=O)Cl)c1 2100143095 RUULANRTXYVHMQ-DLBZAZTESA-N 458.761 3.854 70 10 JHIE O=S(=O)(Cl)c1cc(C(F)(F)F)c(I)cc1I 2060035188 DCLPRXWHOCIGPI-UHFFFAOYSA-N 496.413 3.842 70 10 JHIE CCOc1cc(C(=O)N2C[C@@H](Oc3ccccc3F)C[C@H]2C(=O)OC)cc(OCC)c1OCC 217953134 BUESLWIJRZZXGA-HKUYNNGSSA-N 475.513 3.857 70 10 JHIE CC(C)(C)OC(=O)Nc1ccc(Br)c(C(=O)N2CCC[C@@H](S(=O)(=O)F)C2)c1 2181138911 HFZAQODLJIZJIY-GFCCVEGCSA-N 465.341 3.700 70 10 JHIE O=C(CCCOc1ccc(Br)cc1Cl)NC1CCN(C(=O)C(F)(F)F)CC1 216744487 QFQAPRPRCGXOJJ-UHFFFAOYSA-N 471.701 3.931 70 10 JHIE Cc1cc(COc2c(Br)cc(S(=O)(=O)Cl)cc2Br)n(C)n1 91323865 RCEAXVWRKCGLGJ-UHFFFAOYSA-N 458.559 3.760 70 10 JHIE CC(C)COc1ccc(S(=O)(=O)NCCn2nc(-c3ccncc3)c3c2CCCC3)cc1 217467826 OADSFFYNSCBXDK-UHFFFAOYSA-N 454.596 3.837 70 10 JHIE O=C(Nc1ccc(S(=O)(=O)Cl)c(Br)c1)c1ccc(Br)cn1 108624217 UILBFALCGPYVRP-UHFFFAOYSA-N 454.527 3.786 70 10 JHIE O=S(=O)(Cl)CC1(COc2ccc(Br)cc2Br)CCOCC1 115566825 GLAJNXQMQLGRNI-UHFFFAOYSA-N 462.587 3.956 70 10 JHIE O=S(=O)(c1ccc(Cl)c(C(F)(F)F)c1)N1CCN(Cc2noc(-c3ccccc3)n2)CC1 217088907 FRWDNBRDCVBJAG-UHFFFAOYSA-N 486.903 3.915 70 10 JHIE O=S(=O)(Cl)c1ccc(I)c(OC(F)(F)F)c1OC(F)F 2055335523 WZLAQCRTYVXISR-UHFFFAOYSA-N 452.522 3.719 70 10 JHIE CCOC(=O)Oc1ccc(C(=O)NCCCNC(=O)CCCOc2c(C)cccc2C)cc1 216702249 DVYJHGFJSIGLIH-UHFFFAOYSA-N 456.539 3.934 70 10 JHIE O=S(=O)(Cl)c1cc(Br)cc(I)c1Br 2054894589 OGPVTYKXUUUSBS-UHFFFAOYSA-N 460.312 3.744 70 10 JHIE C[C@H](COc1c(Br)cc([N+](=O)[O-])cc1Br)CS(=O)(=O)Cl 112380011 BXFCEDACGUKVEA-ZCFIWIBFSA-N 451.520 3.703 70 10 JHIE CCOC(=O)c1c(S(=O)(=O)Cl)c2cc(Cl)ccc2n1S(=O)(=O)c1ccccc1 118688628 IJIQUXFNPZMFIT-UHFFFAOYSA-N 462.332 3.636 70 10 JHIE COc1ccc(CCNC(=O)Nc2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)cc1OC 217281143 YCSIWNPOWPPREV-UHFFFAOYSA-N 451.523 3.997 70 10 JHIE Cc1cccc(S(=O)(=O)NC2(C(=O)NC[C@@H]3CCCN3c3ccccc3)CCCCC2)c1 217821660 PWYSZBYSBWEZOZ-QFIPXVFZSA-N 455.624 3.761 70 10 JHIE Cc1cccc(S(=O)(=O)NC2(C(=O)N3CCC[C@]4(C3)OC(=O)c3ccccc34)CCCCC2)c1 217573380 YZXNRKKBDBBVAM-AREMUKBSSA-N 482.602 3.665 70 10 JHIE COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1S(=O)(=O)c1cccc(-c2ccccc2)c1 218008422 MBSAZWKYZULFOE-SIKLNZKXSA-N 455.507 3.876 70 10 JHIE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCC[C@H](S(=O)(=O)F)C2)cc1Br 2181138743 FMSYFTXJAJSJHE-LBPRGKRZSA-N 465.341 3.700 70 10 JHIE Cc1nn(Cc2ccc(I)c(Br)c2)c(C)c1S(=O)(=O)Cl 2377406243 XRBRLEKSFKMOAD-UHFFFAOYSA-N 489.560 3.843 70 10 JHIE COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)CCc1cc(Br)ccc1OC 217910970 ZMRDJBJLGANJNM-AEFFLSMTSA-N 480.330 3.751 70 10 JHIE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(S(=O)(=O)F)nc1 2301722749 MPHFHAYAPIIHTJ-NRFANRHFSA-N 483.521 3.996 70 10 JHIE O=S(=O)(Cl)c1ccc(OC(F)F)c(OC(F)(F)F)c1I 2055335261 RDPZWAJEYCDYOD-UHFFFAOYSA-N 452.522 3.719 70 10 JHIE O=C(NCCCOc1ccc(Br)cc1Cl)N1CCN(c2ccccn2)CC1 217299170 YFOQGALNTFOVNE-UHFFFAOYSA-N 453.768 3.798 70 10 JHIE COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)CCc1ccc(Br)cc1 217911725 ISJIEFCWAQJECI-AEFFLSMTSA-N 450.304 3.742 70 10 JHIE CC(C)(C)OC(=O)N(CCCC(=O)Nc1ccc(S(=O)(=O)F)nc1)Cc1ccccc1 2010538776 KEUFGMSZGUFWGP-UHFFFAOYSA-N 451.520 3.896 70 10 JHIE CC(C)(C)OC(=O)NC1(C(=O)N2CC[C@@H]([B-](F)(F)F)C2)CCN(Cc2ccccc2)CC1 2303104032 IJHOSAQKXFCJAJ-GOSISDBHSA-N 454.322 3.996 70 10 JHIE O=S(=O)(Cl)CC1(COc2c(Br)cccc2Br)CCOCC1 115566633 OLQAAXGUKDDSPP-UHFFFAOYSA-N 462.587 3.956 70 10 JHIE O=C(c1cc(S(=O)(=O)Cl)cn1Cc1ccccc1)N1CC[C@@H](OCc2ccccc2)C1 384286492 ORBHLENXMVLQMA-HXUWFJFHSA-N 458.967 3.895 70 10 JHIE CN(CCN(Cc1ccccc1)S(=O)(=O)c1ccc(S(=O)(=O)F)cc1)Cc1ccccc1 2034829582 ZXCBRGNLYMKYNK-UHFFFAOYSA-N 476.595 3.668 70 10 JHIE O=S(=O)(Cl)c1cc(I)c(C(F)(F)F)c(I)c1 2060034180 GFSJUQYXCMPACD-UHFFFAOYSA-N 496.413 3.842 70 10 JHIE CC(C)(C)c1ccc(OCCCNC(=O)N2CCN(c3ncccn3)CC2)c(Br)c1 217298705 SFFBJSCQXWXDJV-UHFFFAOYSA-N 476.419 3.837 70 10 JHIE O=S(=O)(Cl)c1cc(Br)c(I)cc1OC(F)(F)F 2054814106 PDUWLGOYPFXNET-UHFFFAOYSA-N 465.412 3.880 70 10 JHIE O=C(NCCCN1C(=O)c2ccc(Br)cc2C1=O)NCc1cccc(Cl)c1 217306731 CXTDHAJEBGVQSQ-UHFFFAOYSA-N 450.720 3.588 70 10 JHIE COc1ccc(C(=O)N2CCC(NC(=O)COc3cc(C)c(Cl)c(C)c3)CC2)cc1OC 216889328 WXTXSNSLKDSYRC-UHFFFAOYSA-N 460.958 3.774 70 10 JHIE CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@@H](S(=O)(=O)F)C1 2243900603 WKEYYQJURUHJQI-MRXNPFEDSA-N 474.554 3.594 70 10 JHIE CCOc1c(C)cc(S(=O)(=O)NCCn2nc(-c3ccncc3)c3c2CCCC3)cc1C 217468041 WJRJBUHDQCTHSZ-UHFFFAOYSA-N 454.596 3.818 70 10 JHIE O=S(=O)(Cl)c1c(I)ccc(Br)c1OC(F)(F)F 2054834374 HVFZCZULGSEORV-UHFFFAOYSA-N 465.412 3.880 70 10 JHIE O=S(=O)(Cl)c1ccc(NS(=O)(=O)[C@H]2C[C@H](OCc3ccccc3)C2)c(Cl)c1 2161373200 WRFFJABTMOCDGL-CTYIDZIISA-N 450.365 3.757 70 10 JHIE O=S(=O)(Cl)c1cc(OC(F)F)c(OC(F)(F)F)cc1I 2055336367 POOWYBQDOFCEJX-UHFFFAOYSA-N 452.522 3.719 70 10 JHIE CC(C)(C)OC(=O)Nc1cc(C(=O)N2CCC[C@H](S(=O)(=O)F)C2)ccc1Br 2181139638 PYKUVXSHWFRBCM-LBPRGKRZSA-N 465.341 3.700 70 10 JHIE CCOC(=O)Oc1ccc(C(=O)NCCCNC(=O)CCc2ccccc2Br)cc1 216708260 MYABKGLKTNHAGS-UHFFFAOYSA-N 477.355 3.853 70 10 JHIE O=S(=O)(Cl)c1ccc(I)c(OC(F)(F)F)c1Br 2054829114 IDIGUXFTQLXVCR-UHFFFAOYSA-N 465.412 3.880 70 10 JHIE O=C(NC1CC(COCc2ccccc2)C1)c1cc(S(=O)(=O)Cl)c(Br)o1 2092626301 CXVJEJZXBFEQRX-UHFFFAOYSA-N 462.749 3.695 70 10 JHIE O=S(=O)(Cl)c1ccc(OC(F)F)c(I)c1OC(F)(F)F 2055334568 BGKVSMDXWNIBOR-UHFFFAOYSA-N 452.522 3.719 70 10 JHIE CCn1cncc1COc1c(Br)cc(S(=O)(=O)Cl)cc1Br 215862915 XKUXZZLMZJTHCX-UHFFFAOYSA-N 458.559 3.935 70 10 JHIE O=C(Nc1ccc(CNC(=O)C(F)(F)F)cc1)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 216791136 DDZPDJREVGIMTI-OAQYLSRUSA-N 495.457 3.711 70 10 JHIE C[C@H](NC(=O)c1cccc(I)c1)c1ccc(S(=O)(=O)Cl)s1 59082109 NXSKXXIGMPGNLD-QMMMGPOBSA-N 455.726 3.771 70 10 JHIE O=S(=O)(NCCn1nc(C(F)(F)F)c2c1CCCC2)c1ccc(Br)cc1 217543031 ANRIKXGSVHQIMR-UHFFFAOYSA-N 452.296 3.522 70 10 JHIE O=C(NC[C@@H]1CCCN(c2nccs2)C1)c1ccc(NS(=O)(=O)c2ccccc2F)cc1 218132530 ISWGHWDODBDYOT-INIZCTEOSA-N 474.583 3.729 70 10 JHIE O=S(=O)(Cc1ccc(C(F)(F)F)cc1)Nc1cnn(C[C@H]2COc3ccccc3O2)c1 218301186 KLPXGAYRIDIBHK-KRWDZBQOSA-N 453.442 3.684 70 10 JHIE O=C(Nc1cccc(CNC(=O)C(F)(F)F)c1)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 216832712 ULPPDYLIBQJLOB-OAQYLSRUSA-N 495.457 3.711 70 10 JHIE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@H](S(=O)(=O)F)C1 1901530368 LQONSMLUGCNXFT-AOMKIAJQSA-N 474.554 3.594 70 10 JHIE COc1ccc([C@@H](C)NC(=O)NCCCN2C(=O)c3ccc(Br)cc3C2=O)cc1 217306453 ZFNZUOVVRMIRKR-CYBMUJFWSA-N 460.328 3.504 70 10 JHIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)c2cc(O)cc(O)c2)cc1 216663449 KNOFBAWKRBXERB-UHFFFAOYSA-N 450.447 3.815 70 10 JHIE O=S(=O)(Cl)c1nnc(-c2ccc(Br)cc2I)n1C1CC1 2207261087 JTRYOWAMBYMBCL-UHFFFAOYSA-N 488.532 3.575 70 10 JHIE O=C(NCCCOc1ccccc1Cl)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 217299992 ZGWGFGBKLNGTLO-UHFFFAOYSA-N 488.393 3.605 70 10 JHIE COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1S(=O)(=O)c1cccc(-c2ccccc2)c1 218008582 MBSAZWKYZULFOE-DENIHFKCSA-N 455.507 3.876 70 10 JHIE CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CC[C@@H]3C[C@]3([B-](F)(F)F)C2)CCN(Cc2ccccc2)C1 2311108122 SZHYEPCINYKGRE-LEOXJPRUSA-N 466.333 3.996 70 10 JHIE CCN(C(=O)NCCCOc1ccc(C(C)(C)C)cc1Br)[C@@H]1CCS(=O)(=O)C1 217298633 LKPUVYUDFWTPEH-MRXNPFEDSA-N 475.449 3.734 70 10 JHIE O=C1O[C@]2(CCCN(C(=O)c3cccc(NS(=O)(=O)c4cccc(F)c4)c3)C2)c2ccccc21 217575386 RRWAWDLFFGIJFB-VWLOTQADSA-N 480.517 3.928 70 10 JHIE COC(=O)N1CCN(C(=O)NCCCOc2ccc(C(C)(C)C)cc2Br)CC1 217298803 DEOZLZSFPXYSDN-UHFFFAOYSA-N 456.381 3.609 70 10 JHIE O=C(NCC12CC3CC(CC(C3)C1)C2)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 217276188 XWYRSKXBYBOSGX-UHFFFAOYSA-N 468.019 3.699 70 10 JHIE O=C(NC[C@H]1CCCN(c2nccs2)C1)c1cccc(NS(=O)(=O)c2cccc(F)c2)c1 218135653 SLOOTGSRPPIHOK-MRXNPFEDSA-N 474.583 3.729 70 10 JHIE COc1ccc(C(=O)NC2CCN(C(=O)CCc3ccc(Br)cc3)CC2)cc1OC 216893830 AJKWYMBPUYKCKJ-UHFFFAOYSA-N 475.383 3.820 70 10 JHIE CCOC(=O)Oc1ccc(C(=O)NCCCNC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 216701436 PCYJAQOJAZZINT-UHFFFAOYSA-N 462.930 3.807 70 10 JHIE CC(C)CCOC(=O)O[C@H](c1ccc(S(C)(=O)=O)cc1)[C@@H](CF)NC(=O)C(Cl)Cl 114311492 XOBKZIZMIYBNID-HUUCEWRRSA-N 472.362 3.589 70 10 JHIE CCN(CC)S(=O)(=O)c1ccc(C(=O)N(CCc2cccs2)C2CCOCC2)cc1 217291437 VWHJYBWRYCMNHA-UHFFFAOYSA-N 450.626 3.643 70 10 JHIE COc1ccc([C@@H](C)NC(=O)NCCCN2C(=O)c3ccc(Br)cc3C2=O)cc1OC 217306451 RKWIXYZOCMLFMH-CYBMUJFWSA-N 490.354 3.513 70 10 JHIE O=S(=O)(Cl)c1c(OC(F)(F)F)ccc(Br)c1I 2054830468 ILYSFAVIFAMLNA-UHFFFAOYSA-N 465.412 3.880 70 10 JHIE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC(CCS(=O)(=O)F)C2)cc1Br 2199687347 HJQNYGHDQKHGAK-UHFFFAOYSA-N 465.341 3.558 70 10 JHIE COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1S(=O)(=O)c1cc(C)c(Cl)cc1Cl 217996322 QYAOVDZANCDIMR-MLGOLLRUSA-N 462.326 3.825 70 10 JHIE CC(C)(C)OC(=O)N[C@]1(C(=O)N2CC[C@@H]3C[C@]3([B-](F)(F)F)C2)CCN(Cc2ccccc2)C1 2073757638 SZHYEPCINYKGRE-YFXJRYMSSA-N 466.333 3.996 70 10 JHIE CCCc1ccc(OCC(=O)N2CCC(CNC(=O)c3ccc(OC)c(OC)c3)CC2)cc1 216870921 KORSVUKXUKCENA-UHFFFAOYSA-N 454.567 3.704 70 10 JHIE O=S(=O)(Cc1ccc(C(F)(F)F)cc1)Nc1cnn(C[C@@H]2COc3ccccc3O2)c1 218301237 KLPXGAYRIDIBHK-QGZVFWFLSA-N 453.442 3.684 70 10 JHIE O=C(N[C@@H]1CC[C@@H]1OCc1ccccc1)c1cc(S(=O)(=O)Cl)ccc1Br 2100142844 QIRKDDAUEFGOOX-SJORKVTESA-N 458.761 3.854 70 10 JHIE O=S(=O)(Cl)c1cc(Br)cc(Br)c1I 2054888011 DFFWDLGNALZDDR-UHFFFAOYSA-N 460.312 3.744 70 10 JHIE O=C(NCCn1nc(-c2ccccn2)c2c1CCCC2)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 217494495 UEHHDSBNPFGVRR-KRWDZBQOSA-N 463.969 3.647 70 10 JHIE O=C(N[C@H]1CC[C@@H]1OCc1ccccc1)c1cc(S(=O)(=O)Cl)c(Br)cc1F 2156374651 LKINPEHLNZBUKH-HOTGVXAUSA-N 476.751 3.993 70 10 JHIE COc1ccc(C(=O)NC2CCN(C(=O)CCCOc3c(C)cccc3C)CC2)cc1OC 216889925 MDSDFNZUBPNAJV-UHFFFAOYSA-N 454.567 3.901 70 10 JHIE O=C(NCCCN1C(=O)c2ccc(Br)cc2C1=O)Nc1cc(Cl)ccc1O 217306514 KSQGGVFFLLLPGQ-UHFFFAOYSA-N 452.692 3.616 70 10 JHIE O=C(N[C@@H]1CC[C@H]1OCc1ccccc1)c1cc(S(=O)(=O)Cl)cn1Cc1ccccc1 1950413926 RRMLXELSEQEIAN-IFMALSPDSA-N 458.967 3.942 70 10 JHIE CCc1noc(COc2c(Br)cc(S(=O)(=O)Cl)cc2Br)n1 215851874 HRVUDLXNQBMAMH-UHFFFAOYSA-N 460.531 3.664 70 10 JHIE O=C(NC1CC(OCc2ccccc2)C1)c1cc(S(=O)(=O)Cl)ccc1Br 716186423 DZHPLICEYATUTP-UHFFFAOYSA-N 458.761 3.854 70 10 JHIE Cc1c(OS(=O)(=O)F)cc(C(=O)OC(C)(C)C)cc1N1CCN(C(=O)OC(C)(C)C)CC1 1887551492 HWSNJWZTRXUPRD-UHFFFAOYSA-N 474.551 3.601 70 10 JHIE O=C(Nc1cnn(C[C@H]2COc3ccccc3O2)c1)c1ccccc1I 218260889 JDPVEEODUGHIHP-AWEZNQCLSA-N 461.259 3.580 70 10 JHIE O=C(c1cc(S(=O)(=O)Cl)c(Br)o1)N1CCC(OCc2ccccc2)CC1 384277853 ITMPCFQZPUBOMU-UHFFFAOYSA-N 462.749 3.791 70 10 JHIE C[C@H](COCc1cc(I)ccc1Br)CS(=O)(=O)Cl 2318983031 SKPRSZMGULAAPR-MRVPVSSYSA-N 467.550 3.775 70 10 JHIE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@@H](S(=O)(=O)F)C1 2010543459 JPERIGPXEPPZBQ-YGKZAACZSA-N 488.581 3.840 70 10 JHIE O=C(c1cc(S(=O)(=O)Cl)c(Br)o1)N1CCC[C@@H](OCc2ccccc2)C1 2129817105 HJTGJEAWMKWDLI-CYBMUJFWSA-N 462.749 3.791 70 10 JHIE C[C@@H](NC(=O)c1ccccc1I)c1ccc(S(=O)(=O)Cl)s1 59061632 HYPXJHUACLHHGT-MRVPVSSYSA-N 455.726 3.771 70 10 JHIE COc1ccc(C(=O)N2CCC(NC(=O)CCc3ccc(Br)cc3)CC2)cc1OC 216893890 KIJCIUSNFVSPPN-UHFFFAOYSA-N 475.383 3.820 70 10 JHIE O=S(=O)(c1ccc(Br)cc1Cl)N1CCN(Cc2noc(-c3ccccc3)n2)CC1 217089842 ODVAKGBHMNTUQA-UHFFFAOYSA-N 497.802 3.659 70 10 JHIE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]([B-](F)(F)F)C1 2016102928 JCDKLQJTJJNWMD-IRXDYDNUSA-N 457.278 3.853 70 10 JHIE O=S(=O)(c1cc(Cl)ccc1Cl)N1CCN(Cc2noc(-c3ccccc3)n2)CC1 217088699 SZHURXZGUIRYMK-UHFFFAOYSA-N 453.351 3.550 70 10 JHIE O=S(=O)(Cl)c1cc(Br)c(OC[C@]2(F)CCOC2)c(Br)c1 2238259670 BHUMEZNFAFNYRA-NSHDSACASA-N 452.523 3.647 70 10 JHIE CCOc1ccc(CCC(=O)N2CCC(CNC(=O)c3ccc(OC)c(OC)c3)CC2)cc1OC 216876247 GMYAXUOSEPCXKB-UHFFFAOYSA-N 484.593 3.712 70 10 JHIE Cc1cc(S(=O)(=O)Cl)cc(Cl)c1NS(=O)(=O)CCCOCc1ccccc1 380205838 FYTQIZLFHFRALE-UHFFFAOYSA-N 452.381 3.925 70 10 JHIE COc1ccc(C(=O)N2CCC(NC(=O)CCCOc3ccccc3Cl)CC2)cc1OC 216890326 ATJPVTNRSJYHCK-UHFFFAOYSA-N 460.958 3.937 70 10 JHIE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@@H](S(=O)(=O)F)C1 2009719716 LYRFADWWQHZIJY-HXOBKFHXSA-N 488.581 3.840 70 10 JHIE 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JHIE COc1ccc(C(=O)N2CCC(NC(=O)CCc3cccc(Br)c3)CC2)cc1OC 216893554 JQAMIHWXMIBXJH-UHFFFAOYSA-N 475.383 3.820 70 10 JHIE O=S(=O)(Cc1ccc(C(F)(F)F)cc1)NCCn1nc(-c2ccccn2)c2c1CCCC2 217506350 YNHXHKYCKHLJEU-UHFFFAOYSA-N 464.513 3.962 70 10 JHIE CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CCC[C@@H]([B-](F)(F)F)C2)CCN(Cc2ccccc2)C1 2016103585 OHBMZJMVVBGNAP-GCJKJVERSA-N 454.322 3.996 70 10 JHIE O=S(=O)(Oc1cccc(-c2cccc(OS(=O)(=O)C(F)(F)F)c2)c1)C(F)(F)F 101074379 XMIMVCVHRCUNBW-UHFFFAOYSA-N 450.334 3.810 70 10 JHIE O=C(NC1(C(=O)Nc2ccc(S(=O)(=O)F)nc2)CC1)OCC1c2ccccc2-c2ccccc21 2302864263 WSPHCEAETAAHCW-UHFFFAOYSA-N 481.505 3.750 70 10 JHIE Cc1ccc(NC(=O)C(=O)NCc2ccc(C(=O)c3ccccc3)s2)cc1N1CCCC1=O 217294610 LEXFFSYMBQZWCX-UHFFFAOYSA-N 461.543 3.669 70 10 JHIE CCOC(=O)Oc1ccc(C(=O)NCCCNC(=O)/C=C/c2cccc(Br)c2)cc1 216709705 PVNAARMMCWPELJ-KPKJPENVSA-N 475.339 3.934 70 10 JHIE COc1ccc(C(=O)N2CCC(CNC(=O)COc3c(C)ccc(C)c3C)CC2)cc1OC 216871105 DFWAQUIMXVIMPQ-UHFFFAOYSA-N 454.567 3.676 70 10 JHIE COc1ccc(C(=O)N2CCCN(C(=O)[C@H](C)Oc3ccc(C(C)C)cc3)CC2)cc1OC 216858421 HFVUOMKMXWNWFY-IBGZPJMESA-N 454.567 3.969 70 10 JHIE CC(C)(C)OC(=O)Nc1cc(C(=O)N2CC(CCS(=O)(=O)F)C2)ccc1Br 2199688807 MTVGTQOYIHHTAN-UHFFFAOYSA-N 465.341 3.558 70 10 JHIE CC(C)(C)OC(=O)N1CC[C@@](COCc2ccccc2)(C(=O)Nc2ccc(S(=O)(=O)F)nc2)C1 2181137528 PVIZWLFGCKSONR-HSZRJFAPSA-N 493.557 3.522 70 10 JHIE COc1ccc(C(=O)N2CCCN(C(=O)/C=C/c3cccc(Br)c3)CC2)cc1OC 216860988 RBFFNSVGYJZDIQ-JXMROGBWSA-N 473.367 3.854 70 10 JHIE O=C(CCCN1C(=O)c2ccc(Br)cc2C1=O)Nc1ccc(NC(=O)C(F)(F)F)cc1 216757115 IILKVYPIWXEJLP-UHFFFAOYSA-N 498.255 3.965 70 10 JHIE CC(C)(C)OC(=O)NCCNC(=O)NCCCOc1ccc(Br)cc1Cl 217299218 RPKJHNGNUPANSC-UHFFFAOYSA-N 450.761 3.695 70 10 JHIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)cc1 216653968 SGVZCHANSUWWGV-IBGZPJMESA-N 481.549 3.737 70 10 JHIE O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(CCN1CCOCC1)C1CCOCC1 217285052 QHERXDDWIAVWLN-UHFFFAOYSA-N 454.411 3.678 70 10 JHIE O=C(c1cc(F)cc(S(=O)(=O)Cl)c1Br)N1CC[C@H](OCc2ccccc2)C1 384279938 DOZPBLYCYJFRJH-AWEZNQCLSA-N 476.751 3.947 70 10 JHIE CCCOc1ccc(S(=O)(=O)NCCn2nc(-c3ccccn3)c3c2CCCC3)cc1C 217505379 XMZWZSWZQQOWGK-UHFFFAOYSA-N 454.596 3.900 70 10 JHIE CCOc1cc(NC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc(OCC)c1OCC 217275394 WJNVOLQWETXXEG-UHFFFAOYSA-N 491.610 3.730 70 10 JHIE O=C1OC2(CCN(C(=O)c3cccc(NS(=O)(=O)c4cccc(F)c4)c3)CC2)c2ccccc21 217521520 TXXAEGUZFJAAOD-UHFFFAOYSA-N 480.517 3.928 70 10 JHIE O=S(=O)(Cl)c1c(OC(F)(F)F)ccc(I)c1OC(F)F 2055335101 NRRCRUNNLSLBSS-UHFFFAOYSA-N 452.522 3.719 70 10 JHIE CC(C)(C)c1ccc(OCCCNC(=O)NCCCN2CCCC2=O)c(Br)c1 217298401 HYLNFXCAMGRUGV-UHFFFAOYSA-N 454.409 3.827 70 10 JHIE O=C(c1ccc(Br)c(S(=O)(=O)Cl)c1)N1CC[C@H](OCc2ccccc2)C1 384305401 BRHXDYCBJKBDML-HNNXBMFYSA-N 458.761 3.808 70 10 JHIE O=S(=O)(Cl)c1cc(I)c(Br)cc1OC(F)(F)F 2054809551 GJRQGTJRNNAZJU-UHFFFAOYSA-N 465.412 3.880 70 10 JHIE CC(C)(C)OC(=O)Nc1cc(Br)cc(C(=O)N2CCC[C@H](S(=O)(=O)F)C2)c1 2181139250 LAIJYYMFKBZDKT-AWEZNQCLSA-N 465.341 3.700 70 10 JHIE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC(S(=O)(=O)F)CC1 1901486333 UERKLPGGTYVHNZ-QFIPXVFZSA-N 474.554 3.594 70 10 JHIE O=C(N[C@@H]1CC[C@@H]1OCc1ccccc1)c1ccc(Br)c(S(=O)(=O)Cl)c1 2100143355 UEOITNFONSHWAX-CVEARBPZSA-N 458.761 3.854 70 10 JHIE C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@]2(OC)C=C[C@@]3(C[C@@H]2N(CCCl)CCCl)[C@H]1C5 146108255 PGBSGMLHYQNYFB-ZJFNNMHGSA-N 491.459 3.701 70 10 JHIE Cn1c(=O)c2c(SCc3cccc(C(F)(F)F)c3)nc([C@@H]3CCCCO3)nc2n(C)c1=O 217421661 BUBHXQGKHDLUHK-AWEZNQCLSA-N 466.485 3.580 70 10 JHIE C#CCN(C(=O)c1cccc(S(=O)(=O)F)c1)[C@@H]1CCOc2ccc(Br)cc21 1521819326 PRQNXKCZUKVBHO-QGZVFWFLSA-N 452.301 3.707 70 10 JHIE O=S(=O)(Cl)c1cc(Br)c(Br)c(I)c1 2054887560 UBFRQZIGRVXTOO-UHFFFAOYSA-N 460.312 3.744 70 10 JHIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)[C@@H]3CC(=O)N(C(C)(C)C)C3)c2)cc1 216679568 FEEPFMHLUIQDLO-LJQANCHMSA-N 481.549 3.737 70 10 JHIE Cc1cc(C(=O)N(C)CCOCc2ccccc2)cc(S(=O)(=O)Cl)c1Br 384284295 POWBGVLFINLMHO-UHFFFAOYSA-N 460.777 3.974 70 10 JHIE O=C(c1cc(Br)cc(S(=O)(=O)Cl)c1)N1CC[C@@H](OCc2ccccc2)C1 384293084 ZNVDBQZNEMJLQW-MRXNPFEDSA-N 458.761 3.808 70 10 JHIE O=C(N[C@H]1CC[C@H]1OCc1ccccc1)c1cc(S(=O)(=O)Cl)c(F)cc1Br 2156377097 QOXIUBRQLBWRGG-JKSUJKDBSA-N 476.751 3.993 70 10 JHIE O=S(=O)(NCCn1nc(-c2ccncc2)c2c1CCCC2)c1ccccc1Br 217468151 YWGQZFDIULSJCP-UHFFFAOYSA-N 461.385 3.565 70 10 JHIE CC(C)(C)OC(=O)N1CCN(Cc2cc(C#C[Si](C)(C)C)cc(OS(=O)(=O)F)c2)CC1 1887518558 LEJXWDRCSQUUHQ-UHFFFAOYSA-N 470.639 3.561 70 10 JHIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)CNC(=O)c3ccccc3)cc2)cc1 216624498 KVDZXOMWMJKSNZ-UHFFFAOYSA-N 475.501 3.520 70 10 JHIE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@@H](S(=O)(=O)F)C1 1901530371 LQONSMLUGCNXFT-ZHRRBRCNSA-N 474.554 3.594 70 10 JHIE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC(CS(=O)(=O)F)C1 2248870231 BFRRLKDAQJBFEP-HSZRJFAPSA-N 488.581 3.698 70 10 JHIE CCCCn1c(C(=O)N2CCC[C@@]3(C2)OC(=O)c2ccccc23)cc2c(=O)n3ccccc3nc21 217581378 XXNGNXDJQNNIDF-MHZLTWQESA-N 470.529 3.751 70 10 JHIE O=C(NCCn1nc(-c2ccncc2)c2c1CCCC2)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 217457282 QLCMMZLJLMNCHH-GOSISDBHSA-N 463.969 3.647 70 10 JHIE Cc1c(OS(=O)(=O)F)cc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1C(=O)OC(C)(C)C 1887519059 LICKYUKDGLYJEK-UHFFFAOYSA-N 474.551 3.601 70 10 JHIE O=C(NCCCC(=O)N1CCC[C@H](S(=O)(=O)F)C1)OCC1c2ccccc2-c2ccccc21 2243898877 ATQXPPQOOBVCMJ-KRWDZBQOSA-N 474.554 3.596 70 10 JHIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)[C@@H]3CC(=O)N(C(C)(C)C)C3)c2)cc1 216679675 JTEUKAGXSHEYIL-LJQANCHMSA-N 481.549 3.737 70 10 JHIE COc1ccc(C(=O)NCC2CCN(C(=O)[C@H](C)Oc3ccc(Cl)cc3)CC2)cc1OC 216871009 KQYZXTKQPSLAPA-INIZCTEOSA-N 460.958 3.793 70 10 JHIE CC(C)(C)c1ccc(OCCCC(=O)NCCNC(=O)C(F)(F)F)c(Br)c1 216720707 VMXKVRCVWYGDGA-UHFFFAOYSA-N 453.299 3.700 70 10 JHIE CCOC(=O)Oc1ccc(NC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1 217266087 BMYRLUPJYNJZSQ-UHFFFAOYSA-N 483.930 3.540 70 10 JHIE O=C(N[C@@H]1CC[C@@H]1OCc1ccccc1)c1cc(S(=O)(=O)Cl)c(Br)cc1F 2156374650 LKINPEHLNZBUKH-CVEARBPZSA-N 476.751 3.993 70 10 JHIE COc1ccc(Cl)cc1NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 217283116 VDZVAJXNAKJRLJ-UHFFFAOYSA-N 460.339 3.667 70 10 JHIE O=C(N[C@@H]1CC[C@H]1OCc1ccccc1)c1cc(Br)cc(S(=O)(=O)Cl)c1 2100143096 RUULANRTXYVHMQ-IAGOWNOFSA-N 458.761 3.854 70 10 JHIE O=C(N[C@H]1CC[C@@H]1OCc1ccccc1)c1cc(Br)cc(S(=O)(=O)Cl)c1 2100143097 RUULANRTXYVHMQ-IRXDYDNUSA-N 458.761 3.854 70 10 JHIE CN(C(=O)c1cc(S(=O)(=O)Cl)c(Br)o1)C1CC(OCc2ccccc2)C1 2100154474 ZZTZNWJODPOWEY-UHFFFAOYSA-N 462.749 3.789 70 10 JHIE O=S(=O)(Cl)c1cc(OC(F)F)cc(OC(F)(F)F)c1I 2055335699 AVIMKBRCXOGHML-UHFFFAOYSA-N 452.522 3.719 70 10 JHIE O=S(=O)(Cl)c1c(I)cc(OC(F)F)cc1OC(F)(F)F 2055334893 IXZQMJSVTDSLIA-UHFFFAOYSA-N 452.522 3.719 70 10 JHIE O=S(=O)(Cl)c1c(Br)ccc(Br)c1I 2054888309 LEJKKMWGLZFBGZ-UHFFFAOYSA-N 460.312 3.744 70 10 JHIE O=S(=O)(Cl)c1ccc(NS(=O)(=O)C2CC(OCc3ccccc3)C2)c(Cl)c1 2161355534 WRFFJABTMOCDGL-UHFFFAOYSA-N 450.365 3.757 70 10 JHIE O=S(=O)(Cl)c1cc(I)c(I)c(C(F)(F)F)c1 2060032491 SGVKTKWEAGBKKD-UHFFFAOYSA-N 496.413 3.842 70 10 JHIE O=S(=O)(Cl)c1ccc(I)c(I)c1C(F)F 2055291896 IKMCWWAOFIBFST-UHFFFAOYSA-N 478.423 3.761 70 10 JHIE Cc1c(C[B-](F)(F)F)cc(OS(=O)(=O)F)cc1N1CCN(C(=O)OC(C)(C)C)CC1 1887520553 GSNSXRLYCKRMMO-UHFFFAOYSA-N 455.259 3.574 70 10 JHIE O=S(=O)(Cl)c1cc(Br)c(I)c(OC(F)(F)F)c1 2054809116 OPSPOKATFGXUCS-UHFFFAOYSA-N 465.412 3.880 70 10 JHIE O=C(Nc1ccc(S(=O)(=O)Cl)cc1Br)c1ccc(Br)cn1 108624213 YWRNTCNTYQDDMN-UHFFFAOYSA-N 454.527 3.786 70 10 JHIE O=S(=O)(Cl)c1c(I)cc(I)cc1C(F)(F)F 2060036382 FXKBFUSETRBQHM-UHFFFAOYSA-N 496.413 3.842 70 10 JHIE Cc1nnc(COc2c(Br)cc(S(=O)(=O)Cl)cc2Br)s1 698363349 VUZLWOHEGGCYHI-UHFFFAOYSA-N 462.572 3.878 70 10 JHIE COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)CCc1cc(Br)ccc1OC 217911048 ZMRDJBJLGANJNM-WMZOPIPTSA-N 480.330 3.751 70 10 JHIE O=S(=O)(Cl)c1cc(I)cc(Br)c1Br 2054890752 ORDKKEIACJJYGA-UHFFFAOYSA-N 460.312 3.744 70 10 JHIE O=S(=O)(Cl)c1cccnc1OCc1cc(I)ccc1Br 2367503011 GKRQBHLARLODHI-UHFFFAOYSA-N 488.528 3.955 70 10 JHIE Cc1cc(NC(=O)[C@H]2C[C@H](Br)C2)c(I)cc1S(=O)(=O)Cl 2240653638 JAIGRWKVYPNBBR-ZKCHVHJHSA-N 492.560 3.639 70 10 JHIE O=C(c1cc(S(=O)(=O)Cl)c(Br)cc1F)N1CC[C@@H](OCc2ccccc2)C1 384287723 PZXAPPHCSJPGES-CYBMUJFWSA-N 476.751 3.947 70 10 JHIE O=C(N[C@H]1CC[C@@H]1OCc1ccccc1)c1cc(S(=O)(=O)Cl)cn1Cc1ccccc1 1950413929 RRMLXELSEQEIAN-UNMCSNQZSA-N 458.967 3.942 70 10 JHIE Cc1cc(C)n(-c2ccc(=O)n([C@@H](C)C(=O)Nc3ccccc3-c3cn4ccsc4n3)n2)n1 218566641 LXQAJVFFGILBAN-INIZCTEOSA-N 459.535 3.622 70 10 JHIE O=C(c1ccc(Br)c(S(=O)(=O)Cl)c1)N1CC[C@@H](OCc2ccccc2)C1 384305404 BRHXDYCBJKBDML-OAHLLOKOSA-N 458.761 3.808 70 10 JHIE O=S(=O)(Cl)c1ccc(I)c(C(F)F)c1I 2055293176 LORQEXZYKRNHQN-UHFFFAOYSA-N 478.423 3.761 70 10 JHIE O=C(Nc1cccc(CNC(=O)C(F)(F)F)c1)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 216832751 ULPPDYLIBQJLOB-NRFANRHFSA-N 495.457 3.711 70 10 JHIE CCCCn1c(C(=O)NC[C@@H]2CCCN(c3nccs3)C2)cc2c(=O)n3ccccc3nc21 218142108 ACNUGTYOVYSHCB-KRWDZBQOSA-N 464.595 3.552 70 10 JHIE COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1S(=O)(=O)c1cccc(-c2ccccc2)c1 218008503 MBSAZWKYZULFOE-KNQAVFIVSA-N 455.507 3.876 70 10 JHIE O=S(=O)(Cl)c1ccc(Br)c(I)c1Br 2054891275 RMJCENUUNDKJSO-UHFFFAOYSA-N 460.312 3.744 70 10 JHIE O=S(=O)(Cl)c1cc(I)c(OC(F)F)c(OC(F)(F)F)c1 2055336690 XRLGBPOQZKUETB-UHFFFAOYSA-N 452.522 3.719 70 10 JHIE COc1ccc(C(=O)N2CCC(CNC(=O)Cc3ccc(Br)cc3)CC2)cc1OC 216880735 YUILFKNFQGESFT-UHFFFAOYSA-N 475.383 3.677 70 10 JHIE O=S(=O)(F)c1ccccc1NS(=O)(=O)c1cc(Br)sc1Br 228314635 ZCVYMTXAQYONDD-UHFFFAOYSA-N 479.168 3.732 70 10 JHIE O=S(=O)(F)c1cc(Br)ccc1OC[C@@H]1CC1(Br)Br 2218005541 ISTJXPDQGYXXFU-LURJTMIESA-N 466.948 3.992 70 10 JHIE CCc1nc(S(=O)(=O)Cl)cn1Cc1ccc(I)c(Br)c1 2377405227 KUJXEHFCWRMBTM-UHFFFAOYSA-N 489.560 3.788 70 10 JHIE O=S(=O)(Cl)c1c(I)ccc(OC(F)F)c1OC(F)(F)F 2055335341 SQLIACIILNDHKF-UHFFFAOYSA-N 452.522 3.719 70 10 JHIE C[C@@H](COCc1ccc(I)c(Br)c1)CS(=O)(=O)Cl 2325387594 ZAQRYTYFKJVDLH-QMMMGPOBSA-N 467.550 3.775 70 10 JHIE Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCOc3ccc(C)cc3C(C)(C)C)CC2)cc1 217290296 WHXSUOJEDNXOSQ-UHFFFAOYSA-N 459.612 3.653 70 10 JHIE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC(CCS(=O)(=O)F)C1 2022183681 XHHXODAWCXVTMD-QHCPKHFHSA-N 488.581 3.698 70 10 JHIE COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)CCc1ccc(Br)cc1 217911533 ISJIEFCWAQJECI-WMZOPIPTSA-N 450.304 3.742 70 10 JHIE O=C(N[C@@H]1CC[C@H]1OCc1ccccc1)c1cc(S(=O)(=O)Cl)c(F)cc1Br 2156377096 QOXIUBRQLBWRGG-HZPDHXFCSA-N 476.751 3.993 70 10 JHIE O=C(N[C@H]1CC[C@@H]1OCc1ccccc1)c1cc(Br)cc(S(=O)(=O)Cl)c1F 2156375179 MEFDCNTZFYGLCW-GJZGRUSLSA-N 476.751 3.993 70 10 JHIE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)N1CC[C@@H]2C[C@]2([B-](F)(F)F)C1 2073756197 FFELKKHSDNWHDG-JLHGSKIFSA-N 469.289 3.853 70 10 JHIE CCOC(=O)Oc1ccc(C(=O)NCCCNC(=O)CCc2cccc(Br)c2)cc1 216708580 UAQGKRAESVSYRM-UHFFFAOYSA-N 477.355 3.853 70 10 JHIE O=C(Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 217281436 YYAUDTCAIVJGBI-UHFFFAOYSA-N 490.560 3.694 70 10 JHIE CCOc1cc(C(=O)N2C[C@@H](Oc3ccccc3F)C[C@@H]2C(=O)OC)cc(OCC)c1OCC 217952958 BUESLWIJRZZXGA-PKOBYXMFSA-N 475.513 3.857 70 10 JHIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)c3cc(O)cc(O)c3)cc2)cc1 216637916 NBRIPBFQYGPXNR-UHFFFAOYSA-N 450.447 3.815 70 10 JHIE O=S(=O)(Cl)c1cc(I)c(I)cc1C(F)(F)F 2060034270 ICYLVDOQDCSSNK-UHFFFAOYSA-N 496.413 3.842 70 10 JHIE O=C(NCCn1nc(C(F)(F)F)c2c1CCCC2)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 217532213 VYEKDAHCDULLCR-CYBMUJFWSA-N 454.880 3.603 70 10 JHIE O=S(=O)(Cl)c1c(I)ccc(I)c1C(F)F 2055292411 UNQBGTLOZHGCDC-UHFFFAOYSA-N 478.423 3.761 70 10 JHIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)CNC(=O)c2ccccc2)cc1 216650358 DOAUPKPWSYAYLB-UHFFFAOYSA-N 475.501 3.520 70 10 JHIE Cc1c(C(=O)N(C)CCOCc2ccccc2)cc(Br)cc1S(=O)(=O)Cl 384287057 SQOJLSSUATYAFF-UHFFFAOYSA-N 460.777 3.974 70 10 JHIE Cc1c(Br)cc(C(=O)N(C)CCOCc2ccccc2)cc1S(=O)(=O)Cl 384275075 DAQQRSSOIYGRBZ-UHFFFAOYSA-N 460.777 3.974 70 10 JHIE O=C(N[C@@H]1CC[C@@H]1OCc1ccccc1)c1cc(S(=O)(=O)Cl)c(F)cc1Br 2156377094 QOXIUBRQLBWRGG-CVEARBPZSA-N 476.751 3.993 70 10 JHIE Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3C[C@@H](c4ccccc4)OCC3(C)C)C2)s1 216672545 NYFGJSIMBHSLOT-UXHICEINSA-N 462.637 3.836 70 10 JHIE CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CCC([B-](F)(F)F)CC2)CCN(Cc2ccccc2)C1 2216950090 MVGOACIWSWFWJL-QFIPXVFZSA-N 454.322 3.996 70 10 JHIE O=C(NCc1ccc(C(=O)c2ccccc2)s1)C(=O)Nc1cccc(N2CCCCC2=O)c1 217294612 UWOPGLNIXQOILB-UHFFFAOYSA-N 461.543 3.751 70 10 JHIE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@H](S(=O)(=O)F)C1 2248886306 FKIGKRYAAUKWDM-GAJHUEQPSA-N 488.581 3.840 70 10 JHIE CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CC[C@@](C)([B-](F)(F)F)C2)CCN(Cc2ccccc2)C1 2303111952 OCANQXHHQVAGDT-YADHBBJMSA-N 454.322 3.996 70 10 JHIE Cc1nc(S(=O)(=O)Cl)cn1Cc1ccc(I)c(Br)c1 2349885152 IOTXSZWEGBRTHC-UHFFFAOYSA-N 475.533 3.534 70 10 JHIE Cc1c(C[B-](F)(F)F)cc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1OS(=O)(=O)F 1887504897 PCHSKJYMEJODEA-UHFFFAOYSA-N 455.259 3.574 70 10 JHIE CCCn1c(-c2ccc(Br)cc2I)nnc1S(=O)(=O)Cl 2207259880 CSMDQGWWYYPCPC-UHFFFAOYSA-N 490.548 3.650 70 10 JHIE O=S(=O)(c1cc(Br)sc1Br)N1CC[C@@]2(O)CCCC[C@@H]2C1 160593110 ALRWEZFTQARWTG-RNCFNFMXSA-N 459.225 3.589 70 10 JHIE O=C(N[C@H]1CC[C@@H]1OCc1ccccc1)c1cc(S(=O)(=O)Cl)ccc1Br 2100142843 QIRKDDAUEFGOOX-IRXDYDNUSA-N 458.761 3.854 70 10 JHIE O=C(CCNC(=O)OCC1c2ccccc2-c2ccccc21)Nc1ccc(S(=O)(=O)F)nc1 2243928443 HMAXPEFZTPCFDX-UHFFFAOYSA-N 469.494 3.607 70 10 JHIE COc1ccc(C(=O)N2CCCN(C(=O)/C=C/c3ccccc3Br)CC2)cc1OC 216860800 WBHREPSTFAORCK-PKNBQFBNSA-N 473.367 3.854 70 10 JHIE COc1ccc(C(=O)N2CCCN(C(=O)CCCOc3c(C)cccc3C)CC2)cc1OC 216858502 DEBZHSHUZOZPQG-UHFFFAOYSA-N 454.567 3.854 70 10 JHIE O=S(=O)(Cl)c1cc(I)c(OC(F)(F)F)c(OC(F)F)c1 2055334489 ZPLBESSLYDOHDZ-UHFFFAOYSA-N 452.522 3.719 70 10 JHIE Cc1cccc(S(=O)(=O)NC2(C(=O)NC[C@H]3CCCN3c3ccccc3)CCCCC2)c1 217821729 PWYSZBYSBWEZOZ-JOCHJYFZSA-N 455.624 3.761 70 10 JHIE CCCCCc1ccc(-c2cc3cn([C@@H]4C[C@@H](OC(=O)CCl)[C@@H](CO)O4)c(=O)nc3o2)cc1 116856664 MKQBIMMSDQMLOQ-NJYVYQBISA-N 474.941 3.820 70 10 JHIE CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CCC[C@H]([B-](F)(F)F)C2)CCN(Cc2ccccc2)C1 2016103584 OHBMZJMVVBGNAP-AVRDEDQJSA-N 454.322 3.996 70 10 JHIE CCOc1cc(C(=O)N2C[C@H](Oc3ccccc3F)C[C@H]2C(=O)OC)cc(OCC)c1OCC 217953038 BUESLWIJRZZXGA-MJGOQNOKSA-N 475.513 3.857 70 10 JHIE CC(C)(C)OC(=O)Nc1cc(C(=O)N2CCC(S(=O)(=O)F)CC2)ccc1Br 2181139172 JWZNEVBYVVMMTN-UHFFFAOYSA-N 465.341 3.700 70 10 JHIE O=S(=O)(Cl)c1cc(I)c(C(F)(F)F)cc1I 2060036161 AEDBUGHFAOCWNE-UHFFFAOYSA-N 496.413 3.842 70 10 JHIE O=S(=O)(Cl)c1ccc(NS(=O)(=O)C2CC(OCc3ccccc3)C2)cc1Br 2161355765 YYBSYJRLMGSZFY-UHFFFAOYSA-N 494.816 3.866 70 10 JHIE O=C(N[C@H]1CC[C@@H]1OCc1ccccc1)c1cc(F)cc(S(=O)(=O)Cl)c1Br 2156374015 JTSCLPRIUOJYCA-GJZGRUSLSA-N 476.751 3.993 70 10 JHIE CC(C)n1c(-c2cc(Br)ccc2I)nnc1S(=O)(=O)Cl 232812166 XAOWITVWAQLNSH-UHFFFAOYSA-N 490.548 3.821 70 10 JHIE O=C(N[C@H]1CC[C@H]1OCc1ccccc1)c1cc(S(=O)(=O)Cl)cn1Cc1ccccc1 1950413928 RRMLXELSEQEIAN-RBBKRZOGSA-N 458.967 3.942 70 10 JHIE C[C@@H](NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)Oc1ccc(Cl)cc1 217294909 CYJMCLZDPBIFSV-ZDUSSCGKSA-N 474.366 3.561 70 10 JHIE O=C(N[C@@H](Cc1ccc(S(=O)(=O)F)cc1)C(=O)O)OCC1c2ccccc2-c2ccccc21 2211521968 HWNBXWZRGFVXDX-QFIPXVFZSA-N 469.490 3.879 70 10 JHIE O=C(NCCCN1C(=O)c2ccc(Br)cc2C1=O)NCc1cccc(Br)c1 217306732 USUFLJCTOMGKQI-UHFFFAOYSA-N 495.171 3.697 70 10 JHIE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@@H](S(=O)(=O)F)C1 2248886309 FKIGKRYAAUKWDM-UZUQRXQVSA-N 488.581 3.840 70 10 JHIE C=CCN(C(=O)c1cc(S(=O)(=O)F)ccc1Cl)[C@@H](Cc1ccccc1)C(=O)OCC 1529014614 LACOTTVNSCYRQO-IBGZPJMESA-N 453.919 3.801 70 10 JHIE O=C(NCc1ccc(C(=O)c2ccsc2)s1)c1ccc(S(=O)(=O)N2CCCC2)cc1 217293518 NOJQPHHCWVMUEL-UHFFFAOYSA-N 460.602 3.755 70 10 JHIE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC(CCS(=O)(=O)F)C1 2022183680 XHHXODAWCXVTMD-HSZRJFAPSA-N 488.581 3.698 70 10 JHIE CC(C)COc1ccc(S(=O)(=O)NCCn2nc(-c3ccccn3)c3c2CCCC3)cc1 217505269 HVWPZHHYSXNVKS-UHFFFAOYSA-N 454.596 3.837 70 10 JHIE O=C1O[C@]2(CCCN(C(=O)c3cccc(NS(=O)(=O)c4ccccc4F)c3)C2)c2ccccc21 217575214 SDTGPSRZQMXXPL-VWLOTQADSA-N 480.517 3.928 70 10 JHIE CN(CCOCc1ccccc1)C(=O)c1cc(S(=O)(=O)Cl)c(Br)cc1F 384285139 LMKWNPAGLYEWJL-UHFFFAOYSA-N 464.740 3.805 70 10 JHIE COc1ccc(C(=O)N2CCC(CNC(=O)CCCOc3ccccc3C)CC2)cc1OC 216872216 IVTIZFDDIVRNAG-UHFFFAOYSA-N 454.567 3.840 70 10 JHIE COc1ccc(C(=O)NC2CCN(C(=O)CCCOc3ccccc3Cl)CC2)cc1OC 216890261 QWJNCEODKIORJY-UHFFFAOYSA-N 460.958 3.937 70 10 JHIE Cc1cccc(S(=O)(=O)Nc2ccc(C(=O)NC[C@@H]3CCCN3c3nccs3)cc2)c1 217743544 MSFRMXAFOSQHPU-IBGZPJMESA-N 456.593 3.651 70 10 JHIE O=S(=O)(NCCn1nc(-c2ccncc2)c2c1CCCC2)c1ccc(C(F)(F)F)cc1 217467423 RRVIAXIUCHAAJQ-UHFFFAOYSA-N 450.486 3.821 70 10 JHIE O=S(=O)(Cl)c1c(I)cc(Br)cc1OC(F)(F)F 2054809931 VBGVHDLUGQXIFH-UHFFFAOYSA-N 465.412 3.880 70 10 JHIE COc1ccc(C(=O)N2CCCN(C(=O)[C@@H](C)Oc3ccc(C(C)C)cc3)CC2)cc1OC 216858396 HFVUOMKMXWNWFY-LJQANCHMSA-N 454.567 3.969 70 10 JHIE COc1ccc(C(=O)N2CCCN(C(=O)[C@H](C)Oc3ccccc3C(C)C)CC2)cc1OC 216858359 XSGBHJAPOYQWJG-IBGZPJMESA-N 454.567 3.969 70 10 JHIE COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)CCc1ccc(OC)c(Br)c1 217910445 OJVDFPFDFPDOKZ-CRAIPNDOSA-N 480.330 3.751 70 10 JHIE COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)CCc1ccccc1Br 217911323 FLCHJHGQMZFVLG-QAPCUYQASA-N 450.304 3.742 70 10 JHIE O=S(=O)(c1cccc(Cl)c1Cl)N1CCN(Cc2noc(-c3ccccc3)n2)CC1 217089078 PTIAGRFDMVCTLU-UHFFFAOYSA-N 453.351 3.550 70 10 JHIE O=C(c1cc(S(=O)(=O)Cl)c(Br)cc1F)N1CC[C@H](OCc2ccccc2)C1 384287725 PZXAPPHCSJPGES-ZDUSSCGKSA-N 476.751 3.947 70 10 JHIE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1S(=O)(=O)F 2060817397 DKVNZMLPNCPIMK-DNVCBOLYSA-N 466.531 3.782 70 10 JHIE O=C(NCCCCc1ccccc1)NCCCN1C(=O)c2ccc(Br)cc2C1=O 217306755 YNFLPELQCQDFCZ-UHFFFAOYSA-N 458.356 3.757 70 10 JHIE COc1ccc(NC(=O)NCCCN2C(=O)c3ccc(Br)cc3C2=O)cc1Cl 217306385 NYMPRAHIDWZLHE-UHFFFAOYSA-N 466.719 3.919 70 10 JHIE CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCC[C@@H]([B-](F)(F)F)C2)CCN(Cc2ccccc2)C1 2016103587 OHBMZJMVVBGNAP-XMSQKQJNSA-N 454.322 3.996 70 10 JHIE C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(S(=O)(=O)F)nc1 1984696172 WORVJTGEEPQEPE-CQSZACIVSA-N 469.494 3.606 70 10 JHIE O=C(N[C@@H]1CC[C@H]1OCc1ccccc1)c1cc(Br)cc(S(=O)(=O)Cl)c1F 2156375180 MEFDCNTZFYGLCW-HUUCEWRRSA-N 476.751 3.993 70 10 JHIE Cc1cc(NC(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)n(-c2ccc(F)cc2)n1 217362880 XVEDZSOHWJOZHI-UHFFFAOYSA-N 471.286 3.707 70 10 JHIE CC(C)(C)OC(=O)Nc1cc(Br)cc(C(=O)N2CC(CCS(=O)(=O)F)C2)c1 2199689084 OCICGYGCJKLAQG-UHFFFAOYSA-N 465.341 3.558 70 10 JHIE O=C(c1cc(Br)cc(S(=O)(=O)Cl)c1F)N1CC[C@@H](OCc2ccccc2)C1 384279308 CUUPLQUMXFMUKZ-CQSZACIVSA-N 476.751 3.947 70 10 JHIE O=S(=O)(Cl)c1c(Br)ccc(I)c1Br 2054892938 FHPIQJKMIKQTMN-UHFFFAOYSA-N 460.312 3.744 70 10 JHIE CC(C)n1c(-c2ccc(Br)cc2I)nnc1S(=O)(=O)Cl 2207262592 QXZVESKESUETLO-UHFFFAOYSA-N 490.548 3.821 70 10 JHIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)[C@H]3CC(=O)N(C(C)(C)C)C3)cc2)cc1 216628186 JWKRHEMFYRNPIL-IBGZPJMESA-N 481.549 3.737 70 10 JHIE Cn1c(=O)c2c(SCc3cccc(C(F)(F)F)c3)nc([C@H]3CCCCO3)nc2n(C)c1=O 217421734 BUBHXQGKHDLUHK-CQSZACIVSA-N 466.485 3.580 70 10 JHIE COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)CCc1ccc(Br)cc1 217911786 ISJIEFCWAQJECI-SJLPKXTDSA-N 450.304 3.742 70 10 JHIE Cc1nn(C)c(COc2ccc(Br)cc2S(=O)(=O)Cl)c1Br 215688354 CGACEXPLOWMYSK-UHFFFAOYSA-N 458.559 3.760 70 10 JHIE CC(C)(C)OC(=O)N[C@]1(C(=O)N2CC[C@H]3C[C@@]3([B-](F)(F)F)C2)CCN(Cc2ccccc2)C1 2073757635 SZHYEPCINYKGRE-CDNPAEQRSA-N 466.333 3.996 70 10 JHIE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)N1CC[C@H]2C[C@]2([B-](F)(F)F)C1 2073756195 FFELKKHSDNWHDG-HOIFWPIMSA-N 469.289 3.853 70 10 JHIE CC(C)(C)OC(=O)Nc1ccc(Br)c(C(=O)N2CCC[C@H](S(=O)(=O)F)C2)c1 2181138912 HFZAQODLJIZJIY-LBPRGKRZSA-N 465.341 3.700 70 10 JHIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)[C@H]3CC(=O)N(C(C)(C)C)C3)cc2)cc1 216628307 ASJIVUOODNEMJC-IBGZPJMESA-N 481.549 3.737 70 10 JHIE CCOC(=O)Oc1ccc(C(=O)NCCCNC(=O)/C=C/c2ccc(Br)cc2)cc1 216710050 AUOMLYMFEIFCAQ-AWNIVKPZSA-N 475.339 3.934 70 10 JHIE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC(CS(=O)(=O)F)C1 2248870232 BFRRLKDAQJBFEP-QHCPKHFHSA-N 488.581 3.698 70 10 JHIE O=C(c1cc(Br)ccc1I)N1CC[C@@]2(O)CCCC[C@@H]2C1 160398268 HRAZTMAFMXNTOD-BZNIZROVSA-N 464.141 3.821 70 10 JHIE O=S(=O)(NCCn1nc(C(F)(F)F)c2c1CCCC2)c1ccc(OC(F)(F)F)cc1 217543261 ZUGFPTMKRIHPSO-UHFFFAOYSA-N 457.396 3.658 70 10 JHIE CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC(CS(=O)(=O)F)C1 2022198990 YICGTKNGRFIDGB-MWTRTKDXSA-N 488.581 3.698 70 10 JHIE COC(=O)c1ccc(C(=O)OC)c(NC(=O)Nc2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)c1 217281289 FOGFSVGLJCQOBU-UHFFFAOYSA-N 479.489 3.833 70 10 JHIE O=C(N[C@H]1CC[C@H]1OCc1ccccc1)c1cc(Br)cc(S(=O)(=O)Cl)c1F 2156375181 MEFDCNTZFYGLCW-LSDHHAIUSA-N 476.751 3.993 70 10 JHIE COc1ccc(C(=O)NC2CCN(C(=O)/C=C/c3ccccc3Br)CC2)cc1OC 216894544 ODSZDVOACFITSB-CSKARUKUSA-N 473.367 3.901 70 10 JHIE COc1ccc(C(=O)N2CCC(NC(=O)CCCOc3c(C)cccc3C)CC2)cc1OC 216889981 LCCDMMOHIPQVTO-UHFFFAOYSA-N 454.567 3.901 70 10 JHIE CC(C)(C)OC(=O)NCCN(CC(=O)N1CC[C@H]2C[C@@]2([B-](F)(F)F)C1)Cc1ccccc1 2018401423 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JHIE O=S(=O)(NCCn1nc(-c2ccccn2)c2c1CCCC2)c1ccccc1Br 217505617 ZPNUAEBYUIESDU-UHFFFAOYSA-N 461.385 3.565 70 10 JHIE O=C(NS(=O)(=O)Cl)Oc1c(Br)cc(Br)cc1Br 161824597 YRVGXDBJCHUTQW-UHFFFAOYSA-N 472.336 3.546 70 10 JHIE O=S(=O)(Cl)c1nnc(-c2csc(I)c2)n1-c1ccccc1 158047338 PXKSILWRYJZGLA-UHFFFAOYSA-N 451.698 3.528 70 10 JHIE O=S(=O)(Cl)c1nnc(-c2ccc(I)c(Br)c2)n1C1CC1 721337311 VZDJZPAOBNLVLF-UHFFFAOYSA-N 488.532 3.575 70 10 JHIE Cc1c(OS(=O)(=O)F)cc(C[B-](F)(F)F)cc1N1CCN(C(=O)OC(C)(C)C)CC1 1887561489 KSULZGUDKWKKIR-UHFFFAOYSA-N 455.259 3.574 70 10 JHIE O=C(NCc1cccc(NC(=O)C(F)(F)F)c1)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 216832797 ZPJXHWIRBGLPAB-OAQYLSRUSA-N 495.457 3.711 70 10 JHIE COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)CCc1ccc(OC)c(Br)c1 217910544 OJVDFPFDFPDOKZ-MAUKXSAKSA-N 480.330 3.751 70 10 JHIE C[C@H](NC(=O)c1ccc(I)cc1)c1ccc(S(=O)(=O)Cl)s1 59082082 RYKRPAWVYSFENE-QMMMGPOBSA-N 455.726 3.771 70 10 JHIE O=S(=O)(Cl)c1c(I)ccc(Br)c1Br 2054891877 WGUKHBFXIUPTDZ-UHFFFAOYSA-N 460.312 3.744 70 10 JHIE O=C1O[C@@]2(CCCN(C(=O)c3cccc(NS(=O)(=O)c4cccc(F)c4)c3)C2)c2ccccc21 217575309 RRWAWDLFFGIJFB-RUZDIDTESA-N 480.517 3.928 70 10 JHIE O=C(NCCCOc1ccc(Br)cc1Cl)N1CCN(C(=O)c2ccco2)CC1 217299160 VHZGGEGUEGEDOG-UHFFFAOYSA-N 470.751 3.632 70 10 JHIE O=C(NCCCN1C(=O)c2ccccc2C1=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 217305992 ARHROABVVJPASA-UHFFFAOYSA-N 482.584 3.790 70 10 JHIE O=S(=O)(Cl)c1cccnc1OCc1ccc(I)c(Br)c1 2377632750 FMBQJEJCMKRBQN-UHFFFAOYSA-N 488.528 3.955 70 10 JHIE CC(C)C(=O)N1CCCc2ccc(NC(=O)C(=O)NCc3ccc(C(=O)c4ccco4)s3)cc21 217293111 AJHPGZRSKFQTET-UHFFFAOYSA-N 479.558 3.762 70 10 JHIE O=S(=O)(Cl)c1c(I)ccc(I)c1C(F)(F)F 2060034714 SIICYUNAXSWEFK-UHFFFAOYSA-N 496.413 3.842 70 10 JHIE COc1ccc(C(=O)Nc2ccc(NC(=O)[C@H](C)N3C(=O)c4ccccc4C3=O)cc2)cc1OC 216898977 POGRTFSDOLLQQK-HNNXBMFYSA-N 473.485 3.579 70 10 JHIE O=S(=O)(Cl)c1cc(Br)c(OCCOCC(F)F)c(Br)c1 2381762199 XNQLSGLTGMVOSO-UHFFFAOYSA-N 458.502 3.800 70 10 JHIE F[B-](F)(F)c1cnc(OCCOCCOCCOCc2ccccc2)c(Br)c1 2236089658 FUGUXDLZCZYDSS-UHFFFAOYSA-N 463.079 3.527 70 10 JHIE O=C(CCCOc1ccc(Br)cc1Cl)N1CCCN(C(=O)C(F)(F)F)CC1 216716093 ODQIXLNINXZFHV-UHFFFAOYSA-N 471.701 3.885 70 10 JHIE O=C(NCCn1nc(-c2ccncc2)c2c1CCCC2)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 217457365 QLCMMZLJLMNCHH-SFHVURJKSA-N 463.969 3.647 70 10 JHIE O=S(=O)(Cl)c1cc(I)c(OC(F)(F)F)cc1Br 2054830193 XYWCPKBBCIOCMV-UHFFFAOYSA-N 465.412 3.880 70 10 JHIE COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)CCc1ccc(OC)c(Br)c1 217910686 OJVDFPFDFPDOKZ-YJBOKZPZSA-N 480.330 3.751 70 10 JHIE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2C[C@]2([B-](F)(F)F)C1 2018402032 QMCDIDLVXQGVKR-SPEDKVCISA-N 454.322 3.852 70 10 JHIE O=C(CCCN1C(=O)c2ccc(Br)cc2C1=O)Nc1cccc(NC(=O)C(F)(F)F)c1 216768378 OZKUGKLOSCUZCT-UHFFFAOYSA-N 498.255 3.965 70 10 JHIE O=C1OC2(CCN(C(=O)c3ccc(NS(=O)(=O)c4ccccc4F)cc3)CC2)c2ccccc21 217519518 PGGYJBFXXAAXHW-UHFFFAOYSA-N 480.517 3.928 70 10 JHIE CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC(CS(=O)(=O)F)C1 2022198992 YICGTKNGRFIDGB-WAIKUNEKSA-N 488.581 3.698 70 10 JHIE C[C@@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1S(=O)(=O)F 2060817396 DKVNZMLPNCPIMK-BEFAXECRSA-N 466.531 3.782 70 10 JHIE C[C@@H](NC(=O)c1ccc(I)cc1)c1ccc(S(=O)(=O)Cl)s1 59082084 RYKRPAWVYSFENE-MRVPVSSYSA-N 455.726 3.771 70 10 JHIE Cc1cc(OCNC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc(C)c1Cl 217290467 LVOVPOOIKXHKMY-UHFFFAOYSA-N 488.393 3.789 70 10 JHIE O=C(Nc1ccc(S(=O)(=O)Cl)cc1Br)c1cncc(Br)c1 59082125 RUBKSJRGISHUQZ-UHFFFAOYSA-N 454.527 3.786 70 10 JHIE O=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)N(CCc1cccs1)C1CCOCC1 217291441 MIWHUXQKLMXDQU-UHFFFAOYSA-N 462.637 3.787 70 10 JHIE COc1ccccc1Oc1ccc(S(=O)(=O)NCCCc2cnc3cc(C)nn3c2)cc1 218046831 FYDNYKMIDUXSIL-UHFFFAOYSA-N 452.536 3.750 70 10 JHIE COC(=O)c1ccc(C(=O)OC)c(NC(=O)Nc2ccccc2I)c1 217272926 KOFQHTGTDLKRFN-UHFFFAOYSA-N 454.220 3.508 70 10 JHIE O=S(=O)(Cl)c1cc(OC(F)(F)F)cc(I)c1Br 2054827734 KEUPHFHXGFRVPI-UHFFFAOYSA-N 465.412 3.880 70 10 JHIE COc1ccc(C(=O)Nc2ccc(NC(=O)[C@@H](C)N3C(=O)c4ccccc4C3=O)cc2)cc1OC 216898941 POGRTFSDOLLQQK-OAHLLOKOSA-N 473.485 3.579 70 10 JHIE C[C@@H](COc1c(Br)cc([N+](=O)[O-])cc1Br)CS(=O)(=O)Cl 112380009 BXFCEDACGUKVEA-LURJTMIESA-N 451.520 3.703 70 10 JHIE O=C(CCCNC(=O)OCC1c2ccccc2-c2ccccc21)Nc1ccc(S(=O)(=O)F)nc1 2248877897 UHUGMZPCGUHSCX-UHFFFAOYSA-N 483.521 3.997 70 10 JHIE O=S(=O)(Cl)CCCCOCc1cc(I)ccc1Br 2318987614 OLTILUDSHPNYEQ-UHFFFAOYSA-N 467.550 3.919 70 10 JHIE O=C1O[C@]2(CCCN(C(=O)c3ccc(NS(=O)(=O)c4cccc(F)c4)cc3)C2)c2ccccc21 217571119 QLCPAICMTYYGNO-VWLOTQADSA-N 480.517 3.928 70 10 JHIE O=S(=O)(Cl)c1cc(I)cc(OC(F)(F)F)c1Br 2054830098 XMHRFYIGDGWKCF-UHFFFAOYSA-N 465.412 3.880 70 10 JHIE O=S(=O)(Cl)c1c(I)cc(C(F)(F)F)cc1I 2060036525 JHPCGOQGWRKFKF-UHFFFAOYSA-N 496.413 3.842 70 10 JHIE COc1ccc(C(=O)NCC2CCN(C(=O)[C@@H](C)Oc3ccc(Cl)cc3)CC2)cc1OC 216870983 KQYZXTKQPSLAPA-MRXNPFEDSA-N 460.958 3.793 70 10 JHIE CN(CC(=O)Nc1c(Br)cc(Br)cc1Br)[C@H](CN)C1CC1 159989230 KHAFIAILLIHFPS-GFCCVEGCSA-N 484.030 3.582 70 10 JHIE COc1ccc(C(=O)NCC2CCN(C(=O)Cc3cccc(Br)c3)CC2)cc1OC 216880307 LNUOIUZBFNVIKA-UHFFFAOYSA-N 475.383 3.677 70 10 JHIE CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(S(=O)(=O)F)nc1 2248870507 CSVMHVULMZFMPL-UHFFFAOYSA-N 483.521 3.996 70 10 JHIE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(S(=O)(=O)F)nc1 2301722750 MPHFHAYAPIIHTJ-OAQYLSRUSA-N 483.521 3.996 70 10 JHIE CC(C)n1c(CCNC(=O)COc2cc(O)c3c(c2)OC(C)(C)CC3=O)nc2ccccc21 218119568 LYXOLANQOOKNBA-UHFFFAOYSA-N 451.523 3.804 70 10 JHIE C=CCn1c(SC(F)(F)COS(=O)(=O)C(F)(F)F)nnc1-c1ccccc1OC 1652409139 NHUGQNJJDSIIHT-UHFFFAOYSA-N 459.418 3.691 70 10 JHIE COc1ccc([C@H](C)NC(=O)NCCCN2C(=O)c3ccc(Br)cc3C2=O)cc1OC 217306452 RKWIXYZOCMLFMH-ZDUSSCGKSA-N 490.354 3.513 70 10 JHIE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)CC(=O)Nc1ccccc1S(=O)(=O)F 2060815407 TYTRYHUDDXRHDL-KRWDZBQOSA-N 466.531 3.784 70 10 JHIE COc1ccc(C(=O)NC2CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)cc1OC 216889814 BRQOKDJZXRYOCL-UHFFFAOYSA-N 467.349 3.810 70 10 JHIE O=S(=O)(Cl)c1nnc(-c2cc(I)ccc2Br)n1C1CC1 236027522 YQIHCUUUCJKYID-UHFFFAOYSA-N 488.532 3.575 70 10 JHIE O=C(NCCn1nc(-c2ccccn2)c2c1CCCC2)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 217494417 UEHHDSBNPFGVRR-QGZVFWFLSA-N 463.969 3.647 70 10 JHIE O=S(=O)(Cl)c1ccc(Br)c(OC(F)(F)F)c1I 2054808862 FCZTXMQUCIEQOD-UHFFFAOYSA-N 465.412 3.880 70 10 JHIE O=C1C[C@H](NC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)CN1Cc1ccccc1 217286498 DCHRFVRKQJMOHL-SANMLTNESA-N 468.601 3.904 70 10 JHIE CCCn1c(-c2cc(I)ccc2Br)nnc1S(=O)(=O)Cl 233406790 GFKXSAYWTQEDFB-UHFFFAOYSA-N 490.548 3.650 70 10 JHIE F[B-](F)(F)c1cnc(N2CCCN(Cc3ccccc3)CCOCC2)c(Br)c1 2172767217 RCOODCLNEWPLTI-UHFFFAOYSA-N 457.123 3.627 70 10 JHIE CC(C)(C)OC(=O)Nc1cc(Br)cc(C(=O)N2CCC[C@@H](S(=O)(=O)F)C2)c1 2181139251 LAIJYYMFKBZDKT-CQSZACIVSA-N 465.341 3.700 70 10 JHIE O=C(N[C@@H]1CC[C@H]1OCc1ccccc1)c1cc(S(=O)(=O)Cl)ccc1Br 2100142842 QIRKDDAUEFGOOX-IAGOWNOFSA-N 458.761 3.854 70 10 JHIE COCCCN1C(=O)c2ccc(NC(=O)Nc3ccc(I)cc3C)cc2C1=O 217280804 BRPBRYRMZUCFSF-UHFFFAOYSA-N 493.301 3.876 70 10 JHIE Cc1cccc(N2CCN(C(=O)NCCCN3C(=O)c4ccc(Br)cc4C3=O)CC2)c1C 217306681 LRPUBLBGRPOGGZ-UHFFFAOYSA-N 499.409 3.584 70 10 JHIE Cc1ccc(N2C[C@H](C(=O)NCCn3nc(-c4ccccn4)c4c3CCCC4)CC2=O)cc1C 217493429 ITAHLYCDOCVLSV-HXUWFJFHSA-N 457.578 3.610 70 10 JHIE COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)CCc1ccc(Br)cc1 217911618 ISJIEFCWAQJECI-FUHWJXTLSA-N 450.304 3.742 70 10 JHIE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@@H](S(=O)(=O)F)C1 2010543457 JPERIGPXEPPZBQ-MFEFFIJZSA-N 488.581 3.840 70 10 JHIE O=S(=O)(Cl)c1cc(Br)c(OC[C@H]2OCC[C@H]2F)c(Br)c1 2179087589 JJULPPPFJXMUPK-NXEZZACHSA-N 452.523 3.645 70 10 JHIE CC(C)n1c(-c2cc(I)ccc2Br)nnc1S(=O)(=O)Cl 232813377 NVTASNFJQOKNNP-UHFFFAOYSA-N 490.548 3.821 70 10 JHIE COc1ccc(C(=O)N2CCC(NC(=O)/C=C/c3ccc(Br)cc3)CC2)cc1OC 216895606 UMGQASPFIOWAHM-BJMVGYQFSA-N 473.367 3.901 70 10 JHIE COCCCN1C(=O)c2ccc(NC(=O)Nc3ccc(I)cc3)cc2C1=O 217280987 XFXKGTLOZZARQE-UHFFFAOYSA-N 479.274 3.568 70 10 JHIE COc1ccc(OC)c(-c2cc(C(=O)NCCn3nc(-c4ccccn4)c4c3CCCC4)n(C)n2)c1 217495672 JRSHSYZOXOJMLZ-UHFFFAOYSA-N 486.576 3.672 70 10 JHIE O=S(=O)(Cl)c1cc(I)c(I)cc1C(F)F 2055291852 HQEIFFDQJALNGF-UHFFFAOYSA-N 478.423 3.761 70 10 JHIE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2C[C@@]2([B-](F)(F)F)C1 2018402031 QMCDIDLVXQGVKR-NPPFBWRTSA-N 454.322 3.852 70 10 JHIE O=S(=O)(NCCn1nc(C(F)(F)F)c2c1CCCC2)c1ccccc1Br 217542919 BBXPDJURSPDDOB-UHFFFAOYSA-N 452.296 3.522 70 10 JHIE COc1ccc(C(=O)N2CCCN(C(=O)CCc3cccc(Br)c3)CC2)cc1OC 216860397 VBQQGABHGJAWHQ-UHFFFAOYSA-N 475.383 3.774 70 10 JHIE O=S(=O)(Cl)c1cc(Br)c(OC[C@H]2OCC[C@@H]2F)c(Br)c1 2179087591 JJULPPPFJXMUPK-VHSXEESVSA-N 452.523 3.645 70 10 JHIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)c2cc(O)cc(O)c2)cc1 216663496 ZENFWRBGFSGOEJ-UHFFFAOYSA-N 450.447 3.815 70 10 JHIE COc1ccc(C(=O)NCC2CCN(C(=O)c3ccc4nc(C)c(C)nc4c3)CC2)cc1OC 216873007 XGQJXQPBHKNSQI-UHFFFAOYSA-N 462.550 3.546 70 10 JHIE O=S(=O)(Cl)c1cc(OC(F)(F)F)c(OC(F)F)cc1I 2055335286 ROETURRBZHEEAH-UHFFFAOYSA-N 452.522 3.719 70 10 JHIE C[C@@H](COCc1cc(I)ccc1Br)CS(=O)(=O)Cl 2318983032 SKPRSZMGULAAPR-QMMMGPOBSA-N 467.550 3.775 70 10 JHIE COc1ccc(C(=O)NCC2CCN(C(=O)c3cccc(Br)c3)CC2)cc1OC 216868196 FLACCCGTQFFVRZ-UHFFFAOYSA-N 461.356 3.749 70 10 JHIE Cc1ccc(N2C[C@@H](C(=O)NCCn3nc(-c4ccncc4)c4c3CCCC4)CC2=O)cc1C 217456387 OUYVPQYZPCPGTG-NRFANRHFSA-N 457.578 3.610 70 10 JHIE O=S(=O)(Cl)c1c(C(F)F)ccc(I)c1I 2055291492 ZFZIJBVZSGVTBA-UHFFFAOYSA-N 478.423 3.761 70 10 JHIE Cc1cccc(S(=O)(=O)Nc2ccc(C(=O)NC[C@@H]3CCCN(c4nccs4)C3)cc2)c1 218133630 NXTGTGWMLVFBJT-SFHVURJKSA-N 470.620 3.899 70 10 JHIE CCOC(=O)Oc1ccc(C(=O)NCCCNC(=O)/C=C/c2ccccc2Br)cc1 216709381 KCXBZJDBVQVQGM-JLHYYAGUSA-N 475.339 3.934 70 10 JHIE O=S(=O)(Cc1ccc(C(F)(F)F)cc1)NCCn1nc(C(F)(F)F)c2c1CCCC2 217543810 XDMZBPSJLRHBDD-UHFFFAOYSA-N 455.424 3.919 70 10 JHIE COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)CCc1ccccc1Br 217911417 FLCHJHGQMZFVLG-CRAIPNDOSA-N 450.304 3.742 70 10 JHIE COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 218005778 QZRXFVORZAKOSQ-MEDUHNTESA-N 481.851 3.882 70 10 JHIE COc1ccc(C(=O)NCC2CCN(C(=O)CCCOc3ccc(C)cc3)CC2)cc1OC 216871420 HSWBSHAGOXNLNA-UHFFFAOYSA-N 454.567 3.840 70 10 JHIE O=C(NCCCC(=O)N1CCC(S(=O)(=O)F)CC1)OCC1c2ccccc2-c2ccccc21 2243900651 WZZBCAQCBVWQRP-UHFFFAOYSA-N 474.554 3.596 70 10 JHIE C=C(C)Cn1c(SCC(=O)Nc2ccc(C)c(S(=O)(=O)F)c2)nnc1-c1ccco1 1131369195 WBKWGYLQEXFNSA-UHFFFAOYSA-N 450.517 3.812 70 10 JHIE O=S(=O)(Cl)c1cc(Br)cc(OC(F)(F)F)c1I 2054834503 LYZRNUGZYNBUEM-UHFFFAOYSA-N 465.412 3.880 70 10 JHIE O=S(=O)(Cl)c1cc(I)cc(C(F)F)c1I 2055292720 AUZYCKKONBBJOM-UHFFFAOYSA-N 478.423 3.761 70 10 JHIE COc1ccc(OC)c(-c2cc(C(=O)NCc3ccc(C(=O)c4ccco4)s3)n(C)n2)c1 217292759 RXOXTSJYWYNZLR-UHFFFAOYSA-N 451.504 3.920 70 10 JHIE C=CCN(C(=O)c1ccc(S(=O)(=O)F)cc1Cl)[C@H](Cc1ccccc1)C(=O)OCC 1435901808 WFFQQFSJRNPRQE-LJQANCHMSA-N 453.919 3.801 70 10 JHIE CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC(S(=O)(=O)F)CC1 2243899628 JPTQRDGXTSQSFU-UHFFFAOYSA-N 474.554 3.594 70 10 JHIE COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1S(=O)(=O)c1cc(C)c(Cl)cc1Cl 217996405 QYAOVDZANCDIMR-BLLLJJGKSA-N 462.326 3.825 70 10 JHIE CO[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)N(C(=O)C(C)C)CCC2)c1ccccc1Cl 218352066 LZSAKZKGMMWFMS-OAQYLSRUSA-N 457.958 3.718 70 10 JHIE O=S(=O)(Cl)CCCOCc1cc(I)ccc1Br 2302651863 TVEDPSCNJFEXEO-UHFFFAOYSA-N 453.523 3.529 70 10 JHIE O=C(N[C@H]1CC[C@H]1OCc1ccccc1)c1ccc(Br)c(S(=O)(=O)Cl)c1 2100143358 UEOITNFONSHWAX-JKSUJKDBSA-N 458.761 3.854 70 10 JHIE COc1ccc(C(=O)NCC2CCN(C(=O)Cc3ccccc3Br)CC2)cc1OC 216879682 GWWCIHNHWQZECK-UHFFFAOYSA-N 475.383 3.677 70 10 JHIE CCCn1c(-c2ccc(I)c(Br)c2)nnc1S(=O)(=O)Cl 721336661 PILANVMFSFSHEJ-UHFFFAOYSA-N 490.548 3.650 70 10 JHIE Cc1cccc(S(=O)(=O)Nc2ccc(C(=O)NCCCc3cnc4cc(C)nn4c3)cc2)c1 218018902 PNKFAHQQUCTCIX-UHFFFAOYSA-N 463.563 3.510 70 10 JHIE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@H](S(=O)(=O)F)C1 2010543458 JPERIGPXEPPZBQ-QQMNAOGKSA-N 488.581 3.840 70 10 JHIE O=C(N/C=C/c1ccccc1Cl)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 217808258 VVYLWQHPZJLICK-BQYQJAHWSA-N 456.351 3.807 70 10 JHIE O=C(NCCCN1C(=O)c2ccc(Br)cc2C1=O)NC12CC3CC(CC(C3)C1)C2 217306655 FFRNMBLONGFJTB-UHFFFAOYSA-N 460.372 3.703 70 10 JHIE COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)CCc1cc(Br)ccc1OC 217910888 ZMRDJBJLGANJNM-FUHWJXTLSA-N 480.330 3.751 70 10 JHIE O=C(N/C=C/c1cccc(Cl)c1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 218025473 VKHQOXORGZUKSX-VOTSOKGWSA-N 456.351 3.807 70 10 JHIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)[C@H]3CC(=O)N(C(C)(C)C)C3)c2)cc1 216679524 FEEPFMHLUIQDLO-IBGZPJMESA-N 481.549 3.737 70 10 JHIE O=C(NC1CC(OCc2ccccc2)C1)c1cc(Br)cc(S(=O)(=O)Cl)c1F 716194492 AKAHFECYTZIIEM-UHFFFAOYSA-N 476.751 3.993 70 10 JHIE O=S(=O)(NCCn1nc(-c2ccccn2)c2c1CCCC2)c1ccc(Br)s1 217506021 QJAPGOJMWRRZJB-UHFFFAOYSA-N 467.414 3.626 70 10 JHIE Cc1ccc(N2C[C@@H](C(=O)NCCn3nc(-c4ccccn4)c4c3CCCC4)CC2=O)cc1C 217493502 ITAHLYCDOCVLSV-FQEVSTJZSA-N 457.578 3.610 70 10 JHIE Cc1cccc(C)c1OCCCNC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 217298188 SDCZLXVDOYELPV-UHFFFAOYSA-N 482.002 3.568 70 10 JHIE CC(C)(C)c1ccc(OCCCNC(=O)NCCCN2CCOCC2)c(Br)c1 217298549 LXXXASCZXDFKMJ-UHFFFAOYSA-N 456.425 3.537 70 10 JHIE COc1cc(/C=C/C(=O)NCCn2nc(-c3ccncc3)c3c2CCCC3)cc(OC)c1OC 217457182 CGSRCYJFORMGNB-CMDGGOBGSA-N 462.550 3.679 70 10 JHIE COc1cc(NC(=O)NCCn2nc(-c3ccncc3)c3c2CCCC3)cc(OC)c1OC 217474478 KSQAWKCSKOLYCC-UHFFFAOYSA-N 451.527 3.671 70 10 JHIE CC(C)(C)OC(=O)Nc1cc(C(=O)N2CCC[C@@H](S(=O)(=O)F)C2)ccc1Br 2181139637 PYKUVXSHWFRBCM-GFCCVEGCSA-N 465.341 3.700 70 10 JHIE O=S(=O)(Cl)c1cc(Br)c(OCCCn2ccnc2)c(Br)c1 215862391 QQDWMWJUOLPAMP-UHFFFAOYSA-N 458.559 3.805 70 10 JHIE COc1ccc(C(=O)N2CCCN(C(=O)/C=C/c3ccc(Br)cc3)CC2)cc1OC 216861160 BJOLMWFNECIDHY-IZZDOVSWSA-N 473.367 3.854 70 10 JHIE COc1ccc(C(=O)N2CCC(NC(=O)CCc3ccccc3Br)CC2)cc1OC 216893002 VPAORVBOPLHCNG-UHFFFAOYSA-N 475.383 3.820 70 10 JHIE O=S(=O)(Cl)c1cc(Br)c(I)c(Br)c1 1931650937 VBQJALJLARNWEV-UHFFFAOYSA-N 460.312 3.744 70 10 JHIE Cc1nc2ccc(NC(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3Cl)cc2nc1C 217302032 FFFGUYMNKYVHEN-UHFFFAOYSA-N 475.958 3.565 70 10 JHIE O=C(NCCCN1C(=O)c2ccc(Br)cc2C1=O)NCCc1cccc(Cl)c1 217306742 FOWFUTMAGQVIBG-UHFFFAOYSA-N 464.747 3.631 70 10 JHIE O=S(=O)(Cl)c1c(I)ccc(C(F)F)c1I 2055293427 QUPDWOAUBHUULX-UHFFFAOYSA-N 478.423 3.761 70 10 JHIE O=C(c1cc(S(=O)(=O)Cl)ccc1Br)N1CC[C@H](OCc2ccccc2)C1 384311862 NJJAZRSXANLKHF-AWEZNQCLSA-N 458.761 3.808 70 10 JHIE CCCCn1c(C(=O)N2CCC3(CC2)OC(=O)c2ccccc23)cc2c(=O)n3ccccc3nc21 217525044 VRGWWNSQYIXJTA-UHFFFAOYSA-N 470.529 3.751 70 10 JHIE O=S(=O)(CCCOCc1ccccc1)Nc1ccc(S(=O)(=O)Cl)c(Br)c1 306109367 VBRYHIQVYPEAKV-UHFFFAOYSA-N 482.805 3.725 70 10 JHIE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@@H](S(=O)(=O)F)C1 1901530370 LQONSMLUGCNXFT-OPAMFIHVSA-N 474.554 3.594 70 10 JHIE COc1cc(NC(=O)NCCCN2C(=O)c3ccc(Br)cc3C2=O)c(OC)cc1Cl 217306679 WNGUZRQAUYDVDU-UHFFFAOYSA-N 496.745 3.928 70 10 JHIE O=S(=O)(Cl)c1c(OC(F)F)ccc(I)c1OC(F)(F)F 2055337907 ZAQUHPAFOMCQOQ-UHFFFAOYSA-N 452.522 3.719 70 10 JHIE O=S(=O)(F)c1ccc(OC[C@H]2CC2(Br)Br)c(Br)c1 2218005181 GXOMGVTVPHNLRX-ZCFIWIBFSA-N 466.948 3.992 70 10 JHIE COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 218006620 QZRXFVORZAKOSQ-BDJLRTHQSA-N 481.851 3.882 70 10 JHIE O=S(=O)(Cl)c1c(OC(F)F)cc(I)cc1OC(F)(F)F 2055335081 NINSMHIBRUKSHV-UHFFFAOYSA-N 452.522 3.719 70 10 JHIE O=S(=O)(Cl)c1cc(OC(F)F)cc(I)c1OC(F)(F)F 2055337512 QKXJXYRLWDHGBE-UHFFFAOYSA-N 452.522 3.719 70 10 JHIE CC(C)(C)OC(=O)NCCN(CC(=O)N1CC[C@H]2C[C@]2([B-](F)(F)F)C1)Cc1ccccc1 2018401422 IXCNPJDDECSHLN-AVRDEDQJSA-N 454.322 3.853 70 10 JHIE COc1ccccc1N1CCN(C(=O)Nc2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)CC1 217281371 UAGSTATXGGLOJL-UHFFFAOYSA-N 462.550 3.978 70 10 JHIE O=C(NCCCC(=O)N1CCC[C@@H](S(=O)(=O)F)C1)OCC1c2ccccc2-c2ccccc21 2243898878 ATQXPPQOOBVCMJ-QGZVFWFLSA-N 474.554 3.596 70 10 JHIE COc1ccc(Cl)cc1NC(=O)NCCCN1C(=O)c2ccc(Br)cc2C1=O 217306390 BSXPSFDDBKTBNC-UHFFFAOYSA-N 466.719 3.919 70 10 JHIE Cc1c(I)c(C)c(B2OC(C)(C)C(C)(C)O2)c(C)c1CS(=O)(=O)Cl 1887515097 SFTCGWLBYBGJOE-UHFFFAOYSA-N 484.592 3.584 70 10 JHIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)CNC(=O)c3ccccc3)c2)cc1 216675397 LUPSDIYZCMXAPA-UHFFFAOYSA-N 475.501 3.520 70 10 JHIE O=C(N/C=C/c1ccc(Cl)cc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 218239336 QHFOTDXBQFHOLN-BQYQJAHWSA-N 456.351 3.807 70 10 JHIE CO[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)N(C(=O)C(C)C)CCC2)c1ccccc1Cl 218351982 LZSAKZKGMMWFMS-NRFANRHFSA-N 457.958 3.718 70 10 JHIE O=S(=O)(Cl)CCCOCc1ccc(I)c(Br)c1 2306305354 WEQVHZINCVZRLV-UHFFFAOYSA-N 453.523 3.529 70 10 JHIE O=S(=O)(Cl)c1cc(I)cc(C(F)(F)F)c1I 2060036627 LPZRFSDAUNGFOY-UHFFFAOYSA-N 496.413 3.842 70 10 JHIE O=C(NCOc1ccc(Cl)cc1Cl)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 217297158 QXSXIEJPRZTTDB-UHFFFAOYSA-N 494.784 3.826 70 10 JHIE COc1cc(/C=C/C(=O)NCCn2nc(C(F)(F)F)c3c2CCCC3)cc(OC)c1OC 217532100 RATZGJPMNYVBAB-CMDGGOBGSA-N 453.461 3.636 70 10 JHIE Cc1c(I)cc(CN2CCN(C(=O)OC(C)(C)C)CC2)cc1[B-](F)(F)F 1887521109 QVJNWBRBQWIPLP-UHFFFAOYSA-N 483.101 3.707 70 10 JHIE CN(C(=O)c1cc(S(=O)(=O)Cl)c(Br)o1)[C@@H]1CC[C@@H]1OCc1ccccc1 2100152901 NGVMGWYDOCYHDI-OLZOCXBDSA-N 462.749 3.789 70 10 JHIE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@H](S(=O)(=O)F)C1 2248886308 FKIGKRYAAUKWDM-SBUREZEXSA-N 488.581 3.840 70 10 JHIE O=C(NC1CC(OCc2ccccc2)C1)c1cc(S(=O)(=O)Cl)c(F)cc1Br 716195353 GXLIYOZSOVZEQF-UHFFFAOYSA-N 476.751 3.993 70 10 JHIE O=C(N[C@@H]1CC[C@@H]1OCc1ccccc1)c1cc(S(=O)(=O)Cl)cn1Cc1ccccc1 1950413927 RRMLXELSEQEIAN-IRLDBZIGSA-N 458.967 3.942 70 10 JHIE O=C(c1cc(Br)ccc1I)N1CC[C@]2(O)CCCC[C@H]2C1 160398384 HRAZTMAFMXNTOD-MEDUHNTESA-N 464.141 3.821 70 10 JHIE CC(C)n1c(-c2ccc(I)c(Br)c2)nnc1S(=O)(=O)Cl 721337294 VOGHITAPHLYJJJ-UHFFFAOYSA-N 490.548 3.821 70 10 JHIE O=C(CCCOc1ccc(Br)cc1Cl)N1CCC(NC(=O)C(F)(F)F)CC1 216744420 LDQSJIQVXQAETM-UHFFFAOYSA-N 471.701 3.931 70 10 JHIE O=S(=O)(Cl)c1ccc(NS(=O)(=O)[C@H]2C[C@H](OCc3ccccc3)C2)cc1Br 2161374256 YYBSYJRLMGSZFY-SHTZXODSSA-N 494.816 3.866 70 10 JHIE CC(C)(C)OC(=O)N[C@]1(C(=O)N2CC[C@@](C)([B-](F)(F)F)C2)CCN(Cc2ccccc2)C1 2303111950 OCANQXHHQVAGDT-FGZHOGPDSA-N 454.322 3.996 70 10 JHIE O=S(=O)(Cl)c1cc(I)cc(OC(F)(F)F)c1OC(F)F 2055336632 WLQHBFCAUQBBIP-UHFFFAOYSA-N 452.522 3.719 70 10 JHIE COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)CCc1ccccc1Br 217911159 FLCHJHGQMZFVLG-YJBOKZPZSA-N 450.304 3.742 70 10 JHIE O=C(Nc1ccc(S(=O)(=O)Cl)c(Br)c1)c1cncc(Br)c1 59082128 WFKALTNIRBMUKR-UHFFFAOYSA-N 454.527 3.786 70 10 JHIE COc1ccc(C(=O)N2CCCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)cc1OC 216858462 SKQCNUCTRMANHK-UHFFFAOYSA-N 467.349 3.764 70 10 JHIE O=C(NCCn1nc(C(F)(F)F)c2c1CCCC2)c1ccccc1I 217532550 OHYFPVTWWVGAEY-UHFFFAOYSA-N 463.241 3.815 70 10 JHIE C=CCOc1ccccc1CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)c1ccc2c(c1)OCO2 1124212518 ONUMFNMMULVWQX-UHFFFAOYSA-N 458.467 3.813 70 10 JHIE O=S(=O)(Cl)c1c(I)ccc(OC(F)(F)F)c1OC(F)F 2055336067 JCMLZEKMSMIDIS-UHFFFAOYSA-N 452.522 3.719 70 10 JHIE O=C(Nc1ccc(CNC(=O)C(F)(F)F)cc1)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 216791179 DDZPDJREVGIMTI-NRFANRHFSA-N 495.457 3.711 70 10 JHIE O=S(=O)(Cl)c1cc(I)cc(I)c1C(F)(F)F 2060034225 HAMVIGBFSLUQOZ-UHFFFAOYSA-N 496.413 3.842 70 10 JHIE COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)CCc1ccccc1Br 217911247 FLCHJHGQMZFVLG-MAUKXSAKSA-N 450.304 3.742 70 10 JHIE O=S(=O)(CCCOCc1ccccc1)Nc1ccc(S(=O)(=O)Cl)cc1Br 306084529 FTVMYTDZCWQRAV-UHFFFAOYSA-N 482.805 3.725 70 10 JHIE O=C(Nc1ccccc1CNC(=O)C(F)(F)F)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 216811043 LGQSQIUJJGKYBK-OAQYLSRUSA-N 495.457 3.711 70 10 JHIE CC1(C)Cc2cc(/C(=N/NC(=O)C3CC3)c3ccc(OS(=O)(=O)C(F)(F)F)cc3)ccc2O1 1616045752 AKTUWKHARSFTNM-LGUFXXKBSA-N 482.480 3.907 70 10 JHIE O=C(N[C@@H]1CC[C@H]1OCc1ccccc1)c1cc(F)cc(S(=O)(=O)Cl)c1Br 2156374016 JTSCLPRIUOJYCA-HUUCEWRRSA-N 476.751 3.993 70 10 JHIE CCOc1cc(C(=O)N2C[C@H](Oc3ccccc3F)C[C@@H]2C(=O)OC)cc(OCC)c1OCC 217952884 BUESLWIJRZZXGA-IEBWSBKVSA-N 475.513 3.857 70 10 JHIE O=S(=O)(Cl)CCOc1c(Br)cc(Br)cc1Br 108303967 LMUKMQBAGAUXKC-UHFFFAOYSA-N 457.365 3.922 70 10 JHIE O=S(=O)(Cl)c1cc(Br)c(OCC#CBr)c(Br)c1 2004046760 FAVNVUOFEPNELL-UHFFFAOYSA-N 467.360 3.874 70 10 JHIE O=C(Nc1ccccc1-c1cn2ccsc2n1)C1CCN(c2ccc(-n3cccn3)nn2)CC1 218566916 YPTVEEYNVDOBPT-UHFFFAOYSA-N 470.562 3.894 70 10 JHIE O=S(=O)(Cl)c1cc(C(F)F)c(I)cc1I 2055295173 GCSLOQOCNGDAPM-UHFFFAOYSA-N 478.423 3.761 70 10 JHIE O=S(=O)(NCCn1nc(-c2ccccn2)c2c1CCCC2)c1ccc(C(F)(F)F)cc1 217504828 DFLBQEKEHWLWFJ-UHFFFAOYSA-N 450.486 3.821 70 10 JHIE O=C(NCc1ccccc1NC(=O)C(F)(F)F)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 216811132 LNVXVKARPPQHSW-OAQYLSRUSA-N 495.457 3.711 70 10 JHIE COc1cc(/C=C/C(=O)NCCn2nc(-c3ccccn3)c3c2CCCC3)cc(OC)c1OC 217494304 LAMIZECDTASTTQ-VAWYXSNFSA-N 462.550 3.679 70 10 JHIE O=C1OC2(CCN(C(=O)c3cccc(NS(=O)(=O)c4ccccc4F)c3)CC2)c2ccccc21 217521402 NOPSXYMANBZBRH-UHFFFAOYSA-N 480.517 3.928 70 10 JHIE O=S(=O)(Cl)c1c(Br)ccc(OC(F)(F)F)c1I 2054835209 ZMFKNICPVBKFGA-UHFFFAOYSA-N 465.412 3.880 70 10 JHIE O=C(c1cc(S(=O)(=O)Cl)c(Br)o1)N1CC[C@@H](COCc2ccccc2)C1 384316181 VOZZEAKBQFIHFC-CYBMUJFWSA-N 462.749 3.649 70 10 JHIE COc1ccc(C(=O)N2CCC(CNC(=O)c3ccccc3Br)CC2)cc1OC 216867587 DTJQHZDAYVHQQY-UHFFFAOYSA-N 461.356 3.749 70 10 JHIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)c3cc(O)cc(O)c3)c2)cc1 216687841 IPSMOUPJYJYMIL-UHFFFAOYSA-N 450.447 3.815 70 10 JHIE CCCc1ccc(OCC(=O)NCC2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)cc1 216870952 VTMGKIWUGJWVCP-UHFFFAOYSA-N 454.567 3.704 70 10 JHIE O=S(=O)(Cl)c1ccc(Br)c(Br)c1I 2054887529 SOSCBFLHLXGWSL-UHFFFAOYSA-N 460.312 3.744 70 10 JHIE Cc1c(C#C[Si](C)(C)C)cc(CN2CCN(C(=O)OC(C)(C)C)CC2)cc1OS(=O)(=O)F 1887522499 LKMUBAGUTDWWOY-UHFFFAOYSA-N 484.666 3.870 70 10 JHIE COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)CCc1cc(Br)ccc1OC 217910793 ZMRDJBJLGANJNM-SJLPKXTDSA-N 480.330 3.751 70 10 JHIE O=C(c1cc(Br)ccc1I)N1CC[C@]2(O)CCCC[C@@H]2C1 160398149 HRAZTMAFMXNTOD-BDJLRTHQSA-N 464.141 3.821 70 10 JHIE COc1ccc(C(=O)NCCNC(=O)CCCOc2ccc(Br)cc2Cl)cc1OC 216863694 YQLGSQDUEKIKKC-UHFFFAOYSA-N 499.789 3.825 70 10 JHIE Cc1cc(NC(=O)C2(Br)CCC2)c(I)cc1S(=O)(=O)Cl 2240647045 DRLWHMHCQCTYRN-UHFFFAOYSA-N 492.560 3.783 70 10 JHIE CCOC(=O)Oc1ccc(C(=O)NCCCNC(=O)COc2ccc(Cl)cc2Cl)cc1 216702107 MYZZGNRCYWQILH-UHFFFAOYSA-N 469.321 3.844 70 10 JHIE Cc1cccc(S(=O)(=O)Nc2ccc(C(=O)NC[C@H]3CCCN(c4nccs4)C3)cc2)c1 218133697 NXTGTGWMLVFBJT-GOSISDBHSA-N 470.620 3.899 70 10 JHIE O=C(N[C@@H]1CC[C@@H]1OCc1ccccc1)c1cc(Br)cc(S(=O)(=O)Cl)c1F 2156375178 MEFDCNTZFYGLCW-CABCVRRESA-N 476.751 3.993 70 10 JHIE O=S(=O)(Cl)c1cc(C(F)(F)F)cc(I)c1I 2060035909 UPYFWPSOXJLHMU-UHFFFAOYSA-N 496.413 3.842 70 10 JHIE O=C(NC1(CCOCc2ccccc2)CC1)c1cc(S(=O)(=O)Cl)c(Br)o1 2090329012 SHNFFCKNRMPUNG-UHFFFAOYSA-N 462.749 3.839 70 10 JHIE O=C(Nc1cnn(C[C@@H]2COc3ccccc3O2)c1)c1ccccc1I 218260849 JDPVEEODUGHIHP-CQSZACIVSA-N 461.259 3.580 70 10 JHIE O=S(=O)(Cl)c1ccc(OC(F)(F)F)c(OC(F)F)c1I 2055336874 BOZHXFRZXSJMAX-UHFFFAOYSA-N 452.522 3.719 70 10 JHIE O=S(=O)(Cl)c1ccc(NS(=O)(=O)[C@H]2C[C@H](OCc3ccccc3)C2)c(Br)c1 2161371664 RHECSZBQHDWHET-CTYIDZIISA-N 494.816 3.866 70 10 JHIE O=S(=O)(Cl)c1ccc(I)c(Br)c1Br 2054891303 SAWBEAHUMNYKGV-UHFFFAOYSA-N 460.312 3.744 70 10 JHIE CC(C)(C)OC(=O)Nc1cc(Br)ccc1C(=O)N1CCC[C@H](S(=O)(=O)F)C1 2181138538 CDWXELDRMSNMBB-LBPRGKRZSA-N 465.341 3.700 70 10 JHIE O=S(=O)(F)c1cc(Br)ccc1OC[C@H]1CC1(Br)Br 2218005543 ISTJXPDQGYXXFU-ZCFIWIBFSA-N 466.948 3.992 70 10 JHIE O=C(NCCCN1C(=O)c2ccc(Br)cc2C1=O)NCCc1ccc(Cl)cc1 217306745 DTNHYAOFUYQLIQ-UHFFFAOYSA-N 464.747 3.631 70 10 JHIE CCn1cc(COc2c(Br)cc(S(=O)(=O)Cl)cc2Br)cn1 88287501 KFVXOYGPOFVYDW-UHFFFAOYSA-N 458.559 3.935 70 10 JHIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)CNC(=O)c2ccccc2)cc1 216650284 SEHGYMQLRDLMPT-UHFFFAOYSA-N 475.501 3.520 70 10 JHIE O=C(CCCN1C(=O)c2ccc(Br)cc2C1=O)Nc1ccccc1NC(=O)C(F)(F)F 216780992 WKQMAWBMZFWTQS-UHFFFAOYSA-N 498.255 3.965 70 10 JHIE O=S(=O)(Cl)CCCCOCc1ccc(I)c(Br)c1 2325387595 ZAYOVEGVCGHYRK-UHFFFAOYSA-N 467.550 3.919 70 10 JHIE CCOC(=O)C[C@@]1(CC(F)(F)F)CCc2cc(OS(=O)(=O)C(F)(F)F)ccc2C1=O 219088104 AACWHGXMZCJFDT-OAHLLOKOSA-N 462.364 3.936 70 10 JHIE O=S(=O)(Cl)c1cc(Br)c(OC(F)(F)F)c(I)c1 2054835141 XKEQMLXRZDIVEV-UHFFFAOYSA-N 465.412 3.880 70 10 JHIE O=S(=O)(Cl)c1cc(Br)cc(I)c1OC(F)(F)F 2054814434 WOQWNGISOWNWJD-UHFFFAOYSA-N 465.412 3.880 70 10 JHIE O=C(NCc1ccc(NC(=O)C(F)(F)F)cc1)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 216791286 AKZYCCBCVNLIAO-NRFANRHFSA-N 495.457 3.711 70 10 JHIE O=C(Nc1ccccc1CNC(=O)C(F)(F)F)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 216811080 LGQSQIUJJGKYBK-NRFANRHFSA-N 495.457 3.711 70 10 JHIE O=S(=O)(Cl)c1c(Br)cc(OC(F)(F)F)cc1I 2054831486 ZWKHHLDRPCGUBM-UHFFFAOYSA-N 465.412 3.880 70 10 JHIE CC(C)(C)OC(=O)N[C@]1(C(=O)N2CC[C@H]3C[C@]3([B-](F)(F)F)C2)CCN(Cc2ccccc2)C1 2073757636 SZHYEPCINYKGRE-OFAXGOBFSA-N 466.333 3.996 70 10 JHIE O=C1OC2(CCN(C(=O)c3ccc(NS(=O)(=O)c4cccc(F)c4)cc3)CC2)c2ccccc21 217518927 MIALQKQMHDTDQS-UHFFFAOYSA-N 480.517 3.928 70 10 JHIE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@H](S(=O)(=O)F)C1 1901530369 LQONSMLUGCNXFT-KSFYIVLOSA-N 474.554 3.594 70 10 JHIE O=S(=O)(Cl)c1ccc(NS(=O)(=O)[C@H]2C[C@H](OCc3ccccc3)C2)cc1Cl 2161369092 FAGHASUFZBTFGN-SHTZXODSSA-N 450.365 3.757 70 10 JHIE O=C(N[C@H]1CC[C@H]1OCc1ccccc1)c1cc(S(=O)(=O)Cl)ccc1Br 2100142841 QIRKDDAUEFGOOX-DLBZAZTESA-N 458.761 3.854 70 10 JHIE COc1ccc(OC)c(-c2cc(C(=O)NCCn3nc(-c4ccncc4)c4c3CCCC4)n(C)n2)c1 217458717 MFDIEEBUPWXSDS-UHFFFAOYSA-N 486.576 3.672 70 10 JHIE O=S(=O)(c1c(Cl)cccc1Cl)N1CCN(Cc2noc(-c3ccccc3)n2)CC1 217094325 ZXXWAQQMSXBGDQ-UHFFFAOYSA-N 453.351 3.550 70 10 JHIE COc1ccc(C(=O)N2CCCN(C(=O)COc3cc(C)c(Cl)c(C)c3)CC2)cc1OC 216858291 XYYRWDVAPYLXPK-UHFFFAOYSA-N 460.958 3.728 70 10 JHIE O=S(=O)(Cl)c1ccc(I)c(I)c1C(F)(F)F 2060039539 HCMGGADFYKNHOX-UHFFFAOYSA-N 496.413 3.842 70 10 JHIE Cc1c(CN2CCN(C(=O)OC(C)(C)C)CC2)cc(I)cc1[B-](F)(F)F 1887505460 HFTYQTRVNAPHGY-UHFFFAOYSA-N 483.101 3.707 70 10 JHIE CC(C)(C)OC(=O)Nc1cc(Br)ccc1C(=O)N1CC(CCS(=O)(=O)F)C1 2199687929 JRFJTHCMVOWBIK-UHFFFAOYSA-N 465.341 3.558 70 10 JHIE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H]2C[C@]2([B-](F)(F)F)C1 1909836624 QMCDIDLVXQGVKR-FGSXEWAUSA-N 454.322 3.852 70 10 JHIE O=S(=O)(Cl)c1c(I)cc(OC(F)(F)F)cc1OC(F)F 2055336525 UGLDLVCXLMSOAF-UHFFFAOYSA-N 452.522 3.719 70 10 JHIE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(S(=O)(=O)F)nc1 1984696170 WORVJTGEEPQEPE-AWEZNQCLSA-N 469.494 3.606 70 10 JHIE O=C(NC[C@H]1CCCN(c2nccs2)C1)c1ccc(NS(=O)(=O)c2ccccc2F)cc1 218132622 ISWGHWDODBDYOT-MRXNPFEDSA-N 474.583 3.729 70 10 JHIE Cc1ccc(NC(=O)C(=O)NCc2ccc(C(=O)c3ccsc3)s2)cc1N1CCCC1=O 217293878 PSDKSKHFXMBVFO-UHFFFAOYSA-N 467.572 3.731 70 10 JHIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)CNC(=O)c3ccccc3)c2)cc1 216675460 WXYFFJAUWXNRER-UHFFFAOYSA-N 475.501 3.520 70 10 JHIE O=C(NCc1ccc(NC(=O)C(F)(F)F)cc1)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 216791240 AKZYCCBCVNLIAO-OAQYLSRUSA-N 495.457 3.711 70 10 JHIE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@@H](S(=O)(=O)F)C1 2248886307 FKIGKRYAAUKWDM-HXOBKFHXSA-N 488.581 3.840 70 10 JHIE CC(C)(C)c1ccc(OCCCNC(=O)NCc2ccc(S(N)(=O)=O)cc2)c(Br)c1 217298560 JPJFKLKOPXKSFP-UHFFFAOYSA-N 498.443 3.662 70 10 JHIE CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCC([B-](F)(F)F)CC2)CCN(Cc2ccccc2)C1 2216950089 MVGOACIWSWFWJL-JOCHJYFZSA-N 454.322 3.996 70 10 JHIE C=CCn1c(COc2ccccc2)nnc1SC(F)(F)COS(=O)(=O)C(F)(F)F 1643753453 QIIKXSQCXYESEP-UHFFFAOYSA-N 459.418 3.594 70 10 JHIE O=S(=O)(Cl)c1cc(Br)c(I)cc1Br 2054892894 DRQZBYKUAVDPED-UHFFFAOYSA-N 460.312 3.744 70 10 JHIE COc1ccc(C(=O)N2CCC(CNC(=O)c3cccc(Br)c3)CC2)cc1OC 216868218 OTNUWLHLSRVRHM-UHFFFAOYSA-N 461.356 3.749 70 10 JHIE O=S(=O)(Cl)c1c(Br)cc(I)cc1Br 2054898250 OJLZHUPMDVESDY-UHFFFAOYSA-N 460.312 3.744 70 10 JHIE COc1ccc(C(=O)NCC2CCN(C(=O)Cc3ccc(Br)cc3)CC2)cc1OC 216880671 BKWDIUBHOQJGDZ-UHFFFAOYSA-N 475.383 3.677 70 10 JHIE Cc1cccc(S(=O)(=O)Nc2ccc(C(=O)NC[C@H]3CCCN3c3nccs3)cc2)c1 217743619 MSFRMXAFOSQHPU-LJQANCHMSA-N 456.593 3.651 70 10 JHIE CN(CC(=O)Nc1c(Br)cc(Br)cc1Br)[C@@H](CN)C1CC1 159989093 KHAFIAILLIHFPS-LBPRGKRZSA-N 484.030 3.582 70 10 JHIE O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)Nc1ccccc1Br 217272529 JYQYQPCJUKBNTD-UHFFFAOYSA-N 474.764 3.767 70 10 JHIE CC(C)(C)OC(=O)Nc1cc(Br)ccc1C(=O)N1CCC(S(=O)(=O)F)CC1 2181140155 XFZQKHWEPOMGQA-UHFFFAOYSA-N 465.341 3.700 70 10 JHIE O=C1C[C@@H](NC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)CN1Cc1ccccc1 217286500 DCHRFVRKQJMOHL-AREMUKBSSA-N 468.601 3.904 70 10 JHIE O=C(c1cc(S(=O)(=O)Cl)ccc1Br)N1CC[C@@H](OCc2ccccc2)C1 384311864 NJJAZRSXANLKHF-CQSZACIVSA-N 458.761 3.808 70 10 JHIE Cc1nn(C)c(COc2ccc(S(=O)(=O)Cl)cc2Br)c1Br 215890164 MNWJITUWRPYVGM-UHFFFAOYSA-N 458.559 3.760 70 10 JHIE O=C(c1cc(Br)cc(S(=O)(=O)Cl)c1F)N1CC[C@H](OCc2ccccc2)C1 384279306 CUUPLQUMXFMUKZ-AWEZNQCLSA-N 476.751 3.947 70 10 JHIE O=C(NCCCN1C(=O)c2ccc(Br)cc2C1=O)NCc1ccc(Cl)cc1 217306425 JATHJIFPTFCKIJ-UHFFFAOYSA-N 450.720 3.588 70 10 JHIE CCn1ccnc1COc1c(Br)cc(S(=O)(=O)Cl)cc1Br 215863161 OGTWMKUUKJOVKG-UHFFFAOYSA-N 458.559 3.935 70 10 JHIE O=C1O[C@@]2(CCCN(C(=O)c3ccc(NS(=O)(=O)c4ccccc4F)cc3)C2)c2ccccc21 217571979 DHSICRNWJIQAGA-RUZDIDTESA-N 480.517 3.928 70 10 JHIE COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1S(=O)(=O)c1ccc(-c2ccc(OC)cc2)cc1 218005313 VVVWLYNJTBZMHY-NFBKMPQASA-N 485.533 3.885 70 10 JHIE O=C1O[C@@]2(CCCN(C(=O)c3ccc(NS(=O)(=O)c4cccc(F)c4)cc3)C2)c2ccccc21 217571044 QLCPAICMTYYGNO-RUZDIDTESA-N 480.517 3.928 70 10 JHIE O=S(=O)(Cl)c1ccc(C(F)(F)F)c(I)c1I 2060034351 KJPDKRBCLOAQHB-UHFFFAOYSA-N 496.413 3.842 70 10 JHIE O=S(=O)(Cl)c1cc(Br)c(Br)cc1I 2054888773 VXMWHWNKVCTMRY-UHFFFAOYSA-N 460.312 3.744 70 10 JHIE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)N1CCC([B-](F)(F)F)CC1 2216949136 GMTRBWOPALWKIG-KRWDZBQOSA-N 457.278 3.853 70 10 JHIE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@H](S(=O)(=O)F)C1 2010543456 JPERIGPXEPPZBQ-HKARXFIJSA-N 488.581 3.840 70 10 JHIE CSC1(C(N)=S)CCN(C(=O)c2cc(Br)ccc2Br)CC1 159965790 LMKFGHVVZHPYQH-UHFFFAOYSA-N 452.237 3.836 70 10 JHIE O=S(=O)(Cl)c1cc(I)cc(OC(F)F)c1OC(F)(F)F 2055334173 SLYSLOFYQDQTGX-UHFFFAOYSA-N 452.522 3.719 70 10 JHIE O=S(=O)(NCCn1nc(-c2ccncc2)c2c1CCCC2)c1ccc(OC(F)(F)F)cc1 217468497 CHQAFEGJKLTDOK-UHFFFAOYSA-N 466.485 3.701 70 10 JHIE C=CCn1c(SC(F)(F)COS(=O)(=O)C(F)(F)F)nnc1-c1cccc(OC)c1 1613596664 NBWNUPWCGYFYRX-UHFFFAOYSA-N 459.418 3.691 70 10 JHIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)[C@@H]3CC(=O)N(C(C)(C)C)C3)cc2)cc1 216628361 ASJIVUOODNEMJC-LJQANCHMSA-N 481.549 3.737 70 10 JHIE O=C(N[C@H]1CC[C@H]1OCc1ccccc1)c1cc(S(=O)(=O)Cl)c(Br)cc1F 2156374653 LKINPEHLNZBUKH-JKSUJKDBSA-N 476.751 3.993 70 10 JHIE O=C1O[C@@]2(CCCN(C(=O)c3cccc(NS(=O)(=O)c4ccccc4F)c3)C2)c2ccccc21 217575144 SDTGPSRZQMXXPL-RUZDIDTESA-N 480.517 3.928 70 10 JHIE O=S(=O)(F)c1cc(Br)c(OCCC#CBr)c(Br)c1 2071421725 QETLTYJNVLEOMK-UHFFFAOYSA-N 464.932 3.995 70 10 JHIE O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCN(Cc2noc(-c3ccccc3)n2)CC1 217088554 SMDCCHDWHUZSKN-UHFFFAOYSA-N 453.351 3.550 70 10 JHIE C=CCn1c(SC(F)(F)COS(=O)(=O)C(F)(F)F)nnc1-c1ccc(OC)cc1 1188122374 MRSZOTIMVWWKTB-UHFFFAOYSA-N 459.418 3.691 70 10 JHIE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)N1CCC[C@@H]([B-](F)(F)F)C1 2016102929 JCDKLQJTJJNWMD-SJORKVTESA-N 457.278 3.853 70 10 JHIE O=S(=O)(Cl)c1cc(I)c(OC(F)F)cc1OC(F)(F)F 2055335993 HMFDJKDYWRELIA-UHFFFAOYSA-N 452.522 3.719 70 10 JHIE COc1ccc(C(=O)N2CCC(CNC(=O)CCC(=O)c3ccc(C)cc3)CC2)cc1OC 216869592 XGVJALWAUDYBNC-UHFFFAOYSA-N 452.551 3.644 70 10 JHIE CN(C(=O)c1cc(S(=O)(=O)Cl)c(Br)o1)[C@@H]1CC[C@H]1OCc1ccccc1 2100152900 NGVMGWYDOCYHDI-CHWSQXEVSA-N 462.749 3.789 70 10 JHIE O=S(=O)(NCCn1nc(-c2ccccn2)c2c1CCCC2)c1ccc(Br)cc1 217505712 MVQXMVJGVHVUEG-UHFFFAOYSA-N 461.385 3.565 70 10 JHIE O=S(=O)(Cl)c1cc(OC(F)(F)F)cc(OC(F)F)c1I 2055337341 MNUSYRVWZDRHJW-UHFFFAOYSA-N 452.522 3.719 70 10 JHIE COc1ccc(C(=O)N2CCCN(C(=O)CCc3ccc(Br)cc3)CC2)cc1OC 216860507 JKRFWQCFAXNIQN-UHFFFAOYSA-N 475.383 3.774 70 10 JHIE CCN(C(=O)NCCCOc1ccc(C(C)(C)C)cc1Br)[C@H]1CCS(=O)(=O)C1 217298634 LKPUVYUDFWTPEH-INIZCTEOSA-N 475.449 3.734 70 10 JHIE O=C(N[C@H]1CC[C@H]1OCc1ccccc1)c1cc(F)cc(S(=O)(=O)Cl)c1Br 2156374017 JTSCLPRIUOJYCA-LSDHHAIUSA-N 476.751 3.993 70 10 JHIE O=S(=O)(NCCn1nc(-c2ccncc2)c2c1CCCC2)c1ccc(Br)s1 217468594 VKTSYDSPRQCWAO-UHFFFAOYSA-N 467.414 3.626 70 10 JHIE CCOC(=O)C[C@]1(CC(F)(F)F)CCc2cc(OS(=O)(=O)C(F)(F)F)ccc2C1=O 219088022 AACWHGXMZCJFDT-HNNXBMFYSA-N 462.364 3.936 70 10 JHIE C=CCc1cc(CNC(=O)c2cc(Cl)c(S(=O)(=O)F)cc2OC)cc(OC)c1OC 1356304992 PBTPOFVGJOSMRZ-UHFFFAOYSA-N 457.907 3.683 70 10 JHIE CC(C)(C)OC(=O)NC1(C(=O)Nc2ccccc2S(=O)(=O)F)CCN(Cc2ccccc2)CC1 2181141819 PNBRIRURUZIECC-UHFFFAOYSA-N 491.585 3.843 70 10 JHIE C=CCN(C(=O)c1ccc(S(=O)(=O)F)cc1Cl)[C@@H](Cc1ccccc1)C(=O)OCC 1435901806 WFFQQFSJRNPRQE-IBGZPJMESA-N 453.919 3.801 70 10 JHIE C[C@H](NC(=O)c1ccccc1I)c1ccc(S(=O)(=O)Cl)s1 59061630 HYPXJHUACLHHGT-QMMMGPOBSA-N 455.726 3.771 70 10 JHIE COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 218005696 QZRXFVORZAKOSQ-ZBEGNZNMSA-N 481.851 3.882 70 10 JHIE O=S(=O)(Cl)c1ccc(I)c(Br)c1OC(F)(F)F 2054834776 RQVFONIKEMNQPE-UHFFFAOYSA-N 465.412 3.880 70 10 JHIE C[C@@H](NC(=O)c1cccc(I)c1)c1ccc(S(=O)(=O)Cl)s1 59082111 NXSKXXIGMPGNLD-MRVPVSSYSA-N 455.726 3.771 70 10 JHIE COc1ccc(C(=O)N2CCC(NC(=O)/C=C/c3ccccc3Br)CC2)cc1OC 216894601 JPUJMFLZSQXNAR-CSKARUKUSA-N 473.367 3.901 70 10 JHIE CCCCOC(=O)c1ccccc1NC(=O)Nc1ccc2c(c1)C(=O)N(CCCOC)C2=O 217280793 UETZMRUJGXUNMR-UHFFFAOYSA-N 453.495 3.920 70 10 JHIE Cc1c(Br)cc(S(=O)(=O)Cl)cc1C(=O)N(C)CCOCc1ccccc1 384274854 CEECQVVAOSUTNT-UHFFFAOYSA-N 460.777 3.974 70 10 JHIE O=C(c1cc(S(=O)(=O)Cl)c(Br)o1)N1CCC[C@H](OCc2ccccc2)C1 2129817106 HJTGJEAWMKWDLI-ZDUSSCGKSA-N 462.749 3.791 70 10 JHIE COc1ccc(C(=O)N2CCCN(C(=O)[C@@H](C)Oc3ccccc3C(C)C)CC2)cc1OC 216858334 XSGBHJAPOYQWJG-LJQANCHMSA-N 454.567 3.969 70 10 JHIE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCC[C@@H](S(=O)(=O)F)C2)cc1Br 2181138742 FMSYFTXJAJSJHE-GFCCVEGCSA-N 465.341 3.700 70 10 JHIE O=S(=O)(Cl)CCCCOc1cc(Br)cc(I)c1 2301042277 SFPRZZQKAFZUDO-UHFFFAOYSA-N 453.523 3.781 70 10 JHIE O=S(=O)(Cl)c1ccc(I)c(C(F)(F)F)c1I 2060036071 YFFSBMQBSOQSQD-UHFFFAOYSA-N 496.413 3.842 70 10 JHIE O=C1O[C@]2(CCCN(C(=O)c3ccc(NS(=O)(=O)c4ccccc4F)cc3)C2)c2ccccc21 217572066 DHSICRNWJIQAGA-VWLOTQADSA-N 480.517 3.928 70 10 JHIE CN(CCCOCc1ccccc1)C(=O)c1cc(S(=O)(=O)Cl)c(Br)o1 384281872 NHJCIBKBVZLQLD-UHFFFAOYSA-N 450.738 3.649 70 10 JHIE O=S(=O)(Cl)c1cc(OC(F)F)c(I)c(OC(F)(F)F)c1 2055334140 RVINYXIQLXYADQ-UHFFFAOYSA-N 452.522 3.719 70 10 JHIE COc1ccc(C(=O)NCC2CCN(C(=O)c3ccccc3Br)CC2)cc1OC 216867546 CDJPMJDIVKEJAL-UHFFFAOYSA-N 461.356 3.749 70 10 JHIE Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3C[C@@H](c4ccccc4)OCC3(C)C)C2)s1 216672589 NYFGJSIMBHSLOT-PMACEKPBSA-N 462.637 3.836 70 10 JHIE COc1ccc(C(=O)NC2CCN(C(=O)CCc3cccc(Br)c3)CC2)cc1OC 216893495 HMKOPPMGFOVUPN-UHFFFAOYSA-N 475.383 3.820 70 10 JHIE Cc1c(CN2CCN(C(=O)OC(C)(C)C)CC2)cc(C#C[Si](C)(C)C)cc1OS(=O)(=O)F 1887522593 VSMXDJXYQFMTKL-UHFFFAOYSA-N 484.666 3.870 70 10 JHIE CCCn1c(-c2cc(Br)ccc2I)nnc1S(=O)(=O)Cl 233405724 SAOJXMWPORMOEX-UHFFFAOYSA-N 490.548 3.650 70 10 JHIE O=S(=O)(Cl)c1cc(I)cc(Br)c1OC(F)(F)F 2054835102 WNOYCQDMAWJYII-UHFFFAOYSA-N 465.412 3.880 70 10 JHIE O=C(NC1CC(OCc2ccccc2)C1)c1cc(Br)cc(S(=O)(=O)Cl)c1 716172680 BCEGKUQVNQDBLD-UHFFFAOYSA-N 458.761 3.854 70 10 JHIE O=S(=O)(Cl)c1c(C(F)(F)F)ccc(I)c1I 2060035812 RVCKJOGBRKBPGX-UHFFFAOYSA-N 496.413 3.842 70 10 JHIE O=C(NCc1cccc(NC(=O)C(F)(F)F)c1)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 216832832 ZPJXHWIRBGLPAB-NRFANRHFSA-N 495.457 3.711 70 10 JHIE O=C(NCCn1nc(C(F)(F)F)c2c1CCCC2)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 217532318 VYEKDAHCDULLCR-ZDUSSCGKSA-N 454.880 3.603 70 10 JHIE CN(CCOCc1ccccc1)C(=O)c1cc(Br)cc(S(=O)(=O)Cl)c1F 384292138 YNUDKYSEAVLCPB-UHFFFAOYSA-N 464.740 3.805 70 10 JHIE CC(C)(C)OC(=O)NCCN(CC(=O)N1CC[C@@H]2C[C@]2([B-](F)(F)F)C1)Cc1ccccc1 1909836087 IXCNPJDDECSHLN-GCJKJVERSA-N 454.322 3.853 70 10 JHIE Cc1cc(Br)c(C(=O)N2CC[C@@H](S(=O)(=O)F)C2)cc1NC(=O)OC(C)(C)C 2181141164 ITABJNILTAQTKN-LLVKDONJSA-N 465.341 3.618 70 10 JHIE COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 218005859 QZRXFVORZAKOSQ-BZNIZROVSA-N 481.851 3.882 70 10 JHIE CN(C(=O)c1cc(S(=O)(=O)Cl)c(Br)o1)[C@H]1CC[C@@H]1OCc1ccccc1 2100152903 NGVMGWYDOCYHDI-STQMWFEESA-N 462.749 3.789 70 10 JHIE O=S(=O)(Cl)c1cc(Br)c(OC[C@@H]2OCC[C@H]2F)c(Br)c1 2179087592 JJULPPPFJXMUPK-ZJUUUORDSA-N 452.523 3.645 70 10 JHIE CCCCn1c(C(=O)N2CCC[C@]3(C2)OC(=O)c2ccccc23)cc2c(=O)n3ccccc3nc21 217581283 XXNGNXDJQNNIDF-HHHXNRCGSA-N 470.529 3.751 70 10 JHIE CC(C)(C)OC(=O)Nc1cc(Br)ccc1C(=O)N1CCC[C@@H](S(=O)(=O)F)C1 2181138537 CDWXELDRMSNMBB-GFCCVEGCSA-N 465.341 3.700 70 10 JHIE CC(=O)c1cccc(OCc2cc(C(=O)Nc3ccc(F)c(CS(=O)(=O)F)c3)no2)c1 1624554677 LOSOZVSXFLIUHR-UHFFFAOYSA-N 450.419 3.647 70 10 JHIE CCCCCc1ccc(-c2cc3cn([C@@H]4C[C@H](OC(=O)CCl)[C@@H](CO)O4)c(=O)nc3o2)cc1 116856668 MKQBIMMSDQMLOQ-HBMCJLEFSA-N 474.941 3.820 70 10 JHIE C#CCN(C(=O)c1ccc(S(=O)(=O)F)cc1)[C@@H]1CCOc2ccc(Br)cc21 1529626744 FGRCKZOZORGMHZ-QGZVFWFLSA-N 452.301 3.707 70 10 JHIE O=S(=O)(Cl)c1c(I)ccc(C(F)(F)F)c1I 2060036972 TXDRSXBEJQNPHB-UHFFFAOYSA-N 496.413 3.842 70 10 JHIE CC1(O)CCN(CC(=O)Nc2c(Br)cc(Br)cc2Br)CC1 160833593 JOCDNHSLSIEVBN-UHFFFAOYSA-N 485.014 3.759 70 10 JHIE O=S(=O)(Cl)c1ccc(Br)c(I)c1OC(F)(F)F 2054809514 FETUYJXOFHOOKI-UHFFFAOYSA-N 465.412 3.880 70 10 JHIE COc1ccc(C(=O)NC2CCN(C(=O)CCc3ccccc3Br)CC2)cc1OC 216892949 GOAZNRFIDDXJAJ-UHFFFAOYSA-N 475.383 3.820 70 10 JHIE O=S(=O)(Cl)c1cc(I)c(C(F)F)c(I)c1 2055294270 KRBQWLIIRRPFCG-UHFFFAOYSA-N 478.423 3.761 70 10 JHIE Cc1cc(NC(=O)[C@H]2C[C@@H](Br)C2)c(I)cc1S(=O)(=O)Cl 2240642132 JAIGRWKVYPNBBR-OCAPTIKFSA-N 492.560 3.639 70 10 JHIE COc1ccc(C(=O)N2CCC(CNC(=O)c3ccc4nc(C)c(C)nc4c3)CC2)cc1OC 216873043 ABTNOPNEVHLJDJ-UHFFFAOYSA-N 462.550 3.546 70 10 JHIE O=C(NCCn1nc(-c2ccncc2)c2c1CCCC2)c1ccccc1I 217457572 HGDSHBCKUVWOQL-UHFFFAOYSA-N 472.330 3.859 70 10 JHIE COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1S(=O)(=O)c1cccc(-c2ccccc2)c1 218008348 MBSAZWKYZULFOE-UGKGYDQZSA-N 455.507 3.876 70 10 JHIE COc1ccc(C(=O)N2CCCN(C(=O)CCCOc3ccccc3Cl)CC2)cc1OC 216858616 HERHBYYCRWCYRP-UHFFFAOYSA-N 460.958 3.891 70 10 JHIE O=S(=O)(Cl)c1cc(Br)c(OC[C@@]2(F)CCOC2)c(Br)c1 2238259669 BHUMEZNFAFNYRA-LLVKDONJSA-N 452.523 3.647 70 10 JHIE COc1ccc(C(=O)N2CCN(C(=O)COc3ccc(C)cc3C(C)(C)C)CC2)cc1OC 216856252 LFNNIFPJQFXMNF-UHFFFAOYSA-N 454.567 3.673 70 10 JHIE Cc1cc(C)n(CC(=O)Nc2ccc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)cc2)n1 216790255 BWIRYHKNSAIGTN-UHFFFAOYSA-N 466.607 3.782 70 10 JHIE O=S(=O)(Cl)c1ccc(NS(=O)(=O)C2CC(OCc3ccccc3)C2)c(Br)c1 2161355110 RHECSZBQHDWHET-UHFFFAOYSA-N 494.816 3.866 70 10 JHIE O=C(NC[C@@H]1CCCN(c2nccs2)C1)c1ccc(NS(=O)(=O)c2cccc(F)c2)cc1 218131612 PNEWLFGWGMKSOJ-INIZCTEOSA-N 474.583 3.729 70 10 JHIE Cc1cc(NC(=O)C2CC(Br)C2)c(I)cc1S(=O)(=O)Cl 2240648137 JAIGRWKVYPNBBR-UHFFFAOYSA-N 492.560 3.639 70 10 JHIE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@H](S(=O)(=O)F)C1 2009719715 LYRFADWWQHZIJY-GAJHUEQPSA-N 488.581 3.840 70 10 JHIE