smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1ccc(C(=O)NCC2CCN(C(=O)[C@H](C)N3C(=O)c4ccccc4C3=O)CC2)cc1OC 216868951 FOSPABWRAYLBIO-INIZCTEOSA-N 479.533 2.357 70 10 JEIE O=C(CC[C@H](NC(=O)OCc1ccccc1)C(F)(F)F)N[C@H]1CCN(S(=O)(=O)F)C1 2287067465 CTCUDSNPNCWSAI-KBPBESRZSA-N 455.430 2.029 70 10 JEIE Cc1c(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc(B(O)O)cc1OS(=O)(=O)F 1887522522 OEEIQWIULWNARK-UHFFFAOYSA-N 485.298 2.307 70 10 JEIE CN([C@H]1CC[C@H]1NC(=O)OCc1ccccc1)S(=O)(=O)c1cccc(S(=O)(=O)F)c1 2162885753 FZMDNJXTLQDCHE-MSOLQXFVSA-N 456.517 2.423 70 10 JEIE O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)c1ccc(Br)cc1I 2287080698 UOJKNINOFUTGPA-MRVPVSSYSA-N 477.093 2.072 70 10 JEIE O=C1O[C@@]2(CCCN(C(=O)CNS(=O)(=O)c3ccc(F)c(Cl)c3)C2)c2ccccc21 217573729 LREMTXAZRSTPCS-HXUWFJFHSA-N 452.891 2.446 70 10 JEIE COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)CNS(=O)(=O)c1ccc(F)c(Cl)c1 217907008 HEMOCZRBLLDISE-PXAZEXFGSA-N 488.896 2.118 70 10 JEIE CC(C)(C)OC(=O)N1CCN(c2cc(CS(=O)(=O)F)cc(OS(=O)(=O)F)c2)CC1 1887521473 RJGDDEMJNAUOIY-UHFFFAOYSA-N 456.489 2.136 70 10 JEIE CCCc1nc(NS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)sc1S(=O)(=O)Cl 2097821435 HORWNZKIKKZQKH-UHFFFAOYSA-N 477.973 2.061 70 10 JEIE COc1ccc(C(=O)NC2CCN(C(=O)CCN3C(=O)c4ccccc4C3=O)CC2)cc1OC 216888300 YPBJXCJCJJTINF-UHFFFAOYSA-N 465.506 2.111 70 10 JEIE COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)CCNS(=O)(=O)c1cccc(C)c1 217906544 AFIYKLYVAZVRSO-QFBILLFUSA-N 464.515 2.024 70 10 JEIE CC(C)(C)OC(=O)Nc1ccc(Br)c(C(=O)NC2CN(S(=O)(=O)F)C2)c1 2268809171 KQSDLQHGACKZCR-UHFFFAOYSA-N 452.302 2.424 70 10 JEIE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)NC1CCN(S(=O)(=O)F)CC1 1974395290 YIGMGLVQXXJWAP-GOSISDBHSA-N 473.567 2.282 70 10 JEIE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NCc1ccc(S(=O)(=O)Cl)cc1 2146000030 CKQLAAABNDGROE-UHFFFAOYSA-N 470.956 2.110 70 10 JEIE CC(C)(C)OC(=O)N(CCN)C(=O)NCCCN1C(=O)c2ccc(Br)cc2C1=O 217306764 NHXQVRFSKQSHTP-UHFFFAOYSA-N 469.336 2.341 70 10 JEIE COc1ccc(C(=O)N2CCC(NC(=O)[C@H]3CC(=O)N(Cc4ccccc4)C3)CC2)cc1OC 216889034 XMFNGSQCMAEBOC-FQEVSTJZSA-N 465.550 2.473 70 10 JEIE Cc1c(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc(OS(=O)(=O)F)cc1B(O)O 1887522404 AKNNYSRXAPXAKE-UHFFFAOYSA-N 485.298 2.307 70 10 JEIE Cc1cc(Br)c(S(=O)(=O)NC[C@@H]2CCCS2(=O)=O)cc1Br 159687467 UAFSUMOVVFWONA-VIFPVBQESA-N 461.197 2.376 70 10 JEIE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)Cl)cc1 2089786809 OMQGUFDTNJBDAG-UHFFFAOYSA-N 456.929 2.432 70 10 JEIE O=C(N[C@H]1CCN(S(=O)(=O)F)C1)c1ccc(Br)cc1I 2287080699 UOJKNINOFUTGPA-QMMMGPOBSA-N 477.093 2.072 70 10 JEIE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)N1CCC[C@H](S(=O)(=O)F)C1 2060817180 APOAKXMOWOVKJL-IRXDYDNUSA-N 472.535 2.304 70 10 JEIE Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)CC2)cc1 217285366 YRMZTJHARLCPLQ-PZJWPPBQSA-N 470.595 2.373 70 10 JEIE COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)CCCN1C(=O)c2ccccc2C1=O 217942956 SVAUUYOEXKVKAV-DNVCBOLYSA-N 454.454 2.423 70 10 JEIE Cc1c(CS(=O)(=O)F)cc(OS(=O)(=O)F)cc1N1CCN(C(=O)OC(C)(C)C)CC1 1887506078 JOGGAMAMLINAFJ-UHFFFAOYSA-N 470.516 2.445 70 10 JEIE CCOC(=O)[C@H]1CCCN(C(=O)NCCCN2C(=O)c3ccc(Br)cc3C2=O)C1 217306535 SNDOKAUBNWDIHX-ZDUSSCGKSA-N 466.332 2.420 70 10 JEIE CC(C)(C)OC(=O)NCCNC(=O)NCCCN1C(=O)c2ccc(Br)cc2C1=O 217306765 GEPYKTFTQOSZSW-UHFFFAOYSA-N 469.336 2.259 70 10 JEIE COc1ccc(C(=O)N2CCC(CNC(=O)[C@H](C)N3C(=O)c4ccccc4C3=O)CC2)cc1OC 216869012 UKPPDQXFGSBNAA-INIZCTEOSA-N 479.533 2.357 70 10 JEIE COc1ccc([C@H](O)CNC(=O)C(=O)Nc2ccc3c(c2)N(C(=O)C(C)C)CCC3)cc1OC 217392783 MHPNWJHKAXWRBF-HXUWFJFHSA-N 469.538 2.427 70 10 JEIE CN([C@@H]1CC[C@H]1NC(=O)OCc1ccccc1)S(=O)(=O)c1cccc(S(=O)(=O)F)c1 2162885754 FZMDNJXTLQDCHE-QZTJIDSGSA-N 456.517 2.423 70 10 JEIE O=C(NC1CCN(S(=O)(=O)c2cccc(S(=O)(=O)F)c2)CC1)OCc1ccccc1 2162884510 RPLUBGRQWUZFDM-UHFFFAOYSA-N 456.517 2.424 70 10 JEIE CC(C)(C)OC(=O)N1CC[C@@](COCc2ccccc2)(C(=O)NCC2CN(S(=O)(=O)F)C2)C1 2124723399 DJFDITADVREDFJ-JOCHJYFZSA-N 485.578 2.093 70 10 JEIE CCOC(=O)Oc1ccc(C(=O)NCCCNC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)cc1 216699942 OHIDGKYXNLXMLP-HNNXBMFYSA-N 467.478 2.143 70 10 JEIE O=C([C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)N1CCN(C(=O)C(F)(F)F)CC1 216711415 PZDKQHXQAZXOOX-SFHVURJKSA-N 459.424 2.127 70 10 JEIE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(S(=O)(=O)F)CC1 2010542650 DKJZGYHZNZJCKM-SFHVURJKSA-N 457.568 2.302 70 10 JEIE O=C1OC2(CCN(C(=O)CNS(=O)(=O)c3ccc(F)c(Cl)c3)CC2)c2ccccc21 217520613 LKVOUWWBDFUCPP-UHFFFAOYSA-N 452.891 2.446 70 10 JEIE CN(CC1CN(C(=O)OCc2ccccc2)C1)S(=O)(=O)c1cccc(S(=O)(=O)F)c1 2162883737 KMDZZKBLPXEEPA-UHFFFAOYSA-N 456.517 2.234 70 10 JEIE O=C(CCCN1C(=O)c2ccc(Br)cc2C1=O)N1CCCN(C(=O)C(F)(F)F)CC1 216716221 ZXTSCNSFXJPFGV-UHFFFAOYSA-N 490.276 2.449 70 10 JEIE CC(C)(C)OC(=O)NC[C@@H](C(=O)Oc1c(F)c(F)c(F)c(F)c1F)N1C(=O)C=CC1=O 1775955853 MXDLYOYYCZLWGJ-ZETCQYMHSA-N 450.316 2.106 70 10 JEIE O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)N[C@H]1CC(=O)N(Cc2ccccc2)C1 217286900 VWAPYJVFMYXVAJ-KRWDZBQOSA-N 492.985 2.284 70 10 JEIE COc1ccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1S(=O)(=O)Cl 1858135861 GYPNRHGYBQRIKR-UHFFFAOYSA-N 452.916 2.309 70 10 JEIE C[C@@H](NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O)c1ccc(S(=O)(=O)Cl)s1 703991174 PHIIFBVATKNQJY-LLVKDONJSA-N 476.985 2.342 70 10 JEIE CN([C@H]1CC[C@H]1NC(=O)OCc1ccccc1)S(=O)(=O)c1ccc(S(=O)(=O)F)cc1 2162886834 PWSBVFCDYQMHBM-MSOLQXFVSA-N 456.517 2.423 70 10 JEIE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)N1CC(CCS(=O)(=O)F)C1 2078998937 YWYYYDWNZAXWKJ-KRWDZBQOSA-N 472.535 2.161 70 10 JEIE COc1ccc(C(=O)NCCNC(=O)c2ccccc2I)cc1OC 216863261 NKCHOVNJWVVPQA-UHFFFAOYSA-N 454.264 2.468 70 10 JEIE O=C(NC1(C(=O)NCC2CN(S(=O)(=O)F)C2)CC1)OCC1c2ccccc2-c2ccccc21 1974059771 OXGYLIKOPUCDMD-UHFFFAOYSA-N 473.526 2.320 70 10 JEIE CC(C)(C)OC(=O)NC1(C(=O)N2CC(CS(=O)(=O)F)C2)CCN(Cc2ccccc2)CC1 2078991062 SIVZYWNJHSXDDI-UHFFFAOYSA-N 469.579 2.304 70 10 JEIE C[C@@H](CNC(=O)c1csc(S(=O)(=O)Cl)c1OCc1ccccc1)S(C)(=O)=O 2156356890 FAUBIAPAIBSZNJ-NSHDSACASA-N 451.975 2.418 70 10 JEIE O=C(C[C@@H]1CSc2nc3c(c(=O)n21)CCC3)Nc1cnn(C[C@H]2COc3ccccc3O2)c1 218252452 BJRCONALIKYPJA-CVEARBPZSA-N 465.535 2.444 70 10 JEIE O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)c1cc(Br)ccc1I 2287080069 XVKXYTFPGGXWFU-MRVPVSSYSA-N 477.093 2.072 70 10 JEIE COCCN(C(=O)Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)[C@@H]1CCS(=O)(=O)C1 217281326 CKUQNVSWPQMOCC-QGZVFWFLSA-N 463.556 2.283 70 10 JEIE O=C([C@@H]1CCCCN1c1ccc(-c2ccccc2)nn1)N1CCN(c2cc(-n3cncn3)ncn2)CC1 218645498 DYTNSUSZCBNLDK-QFIPXVFZSA-N 496.579 2.222 70 10 JEIE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1ccccc1S(=O)(=O)F 703995729 ANYDSRDRZHETRF-UHFFFAOYSA-N 454.501 2.409 70 10 JEIE COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 217960677 GDABDDWXUNEWSG-FXAWDEMLSA-N 476.526 2.445 70 10 JEIE Cc1cc(C)n(CC(=O)N(Cc2ccccc2)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)n1 216789160 ASNSBVOMVRNTSP-UHFFFAOYSA-N 458.522 2.214 70 10 JEIE COc1ccc(C(=O)N2CCCN(C(=O)CCN3C(=O)c4ccccc4C3=O)CC2)cc1OC 216857999 XXMWSDZNGFAWQL-UHFFFAOYSA-N 465.506 2.065 70 10 JEIE Cc1cc(Br)c(S(=O)(=O)NCCS(=O)(=O)Cl)cc1Br 159718262 XGYVYBYAPVZSEF-UHFFFAOYSA-N 455.577 2.367 70 10 JEIE C[C@@H](c1ccccc1)N1C[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1=O 217285359 WYHFTSAUAJBTDW-AZUAARDMSA-N 456.568 2.065 70 10 JEIE CC(C)(C)OC(=O)N[C@]1(C(=O)N2CC[C@@H](S(=O)(=O)F)C2)CCN(Cc2ccccc2)C1 2010538475 GQFAIJLRLLPRQQ-DYESRHJHSA-N 455.552 2.056 70 10 JEIE COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)CCNS(=O)(=O)c1cccc(Cl)c1 217905250 UKJDBCQGKZQXMY-MAUKXSAKSA-N 484.933 2.369 70 10 JEIE O=C(N[C@H]1CCN(S(=O)(=O)F)C1)c1ccc(I)c(Br)c1 2287063462 QRZPRNXNLAGZPX-QMMMGPOBSA-N 477.093 2.072 70 10 JEIE CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCC(S(=O)(=O)F)CC2)CCN(Cc2ccccc2)C1 2060812077 UDPOXKYXBKENOM-JOCHJYFZSA-N 469.579 2.446 70 10 JEIE O=C(C[C@H]1CSc2nc3c(c(=O)n21)CCC3)Nc1cnn(C[C@@H]2COc3ccccc3O2)c1 218252642 BJRCONALIKYPJA-JKSUJKDBSA-N 465.535 2.444 70 10 JEIE COc1ccc(S(=O)(=O)Nc2cccc(CNC(=O)c3cc(S(=O)(=O)F)c[nH]3)c2)cc1 1516701350 IDJPIFANVBPOAQ-UHFFFAOYSA-N 467.500 2.412 70 10 JEIE O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)N[C@@H]1CC(=O)N(Cc2ccccc2)C1 217286902 VWAPYJVFMYXVAJ-QGZVFWFLSA-N 492.985 2.284 70 10 JEIE CS(=O)(=O)Nc1ccc(NC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1 217282665 MGALITLATFSXFK-UHFFFAOYSA-N 488.975 2.376 70 10 JEIE CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CCC[C@@H](S(=O)(=O)F)C2)CCN(Cc2ccccc2)C1 2060811456 MQKBTFGFSUEKPG-GCJKJVERSA-N 469.579 2.446 70 10 JEIE O=S(=O)(F)CC1CN(S(=O)(=O)c2ccc(Br)cc2Br)C1 2199687548 ARDUTXQYXDDNPY-UHFFFAOYSA-N 451.133 2.131 70 10 JEIE COCCn1c(C(=O)NC[C@H]2CCCN2c2nccs2)cc2c(=O)n3ccccc3nc21 217752219 MFDYKCJTKGSZKY-OAHLLOKOSA-N 452.540 2.151 70 10 JEIE CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CC[C@@H](S(=O)(=O)F)C2)CCN(Cc2ccccc2)C1 2010538477 GQFAIJLRLLPRQQ-UTKZUKDTSA-N 455.552 2.056 70 10 JEIE O=C(c1ccc(I)c(Br)c1)N1CCN(S(=O)(=O)F)CC1 1974000669 DPOZORQTIDVLES-UHFFFAOYSA-N 477.093 2.026 70 10 JEIE COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)CCNS(=O)(=O)c1cccc(C)c1 217906728 AFIYKLYVAZVRSO-LPHOPBHVSA-N 464.515 2.024 70 10 JEIE O=C(NC1CN(S(=O)(=O)F)C1)c1cc(Cl)cc(Cl)c1I 2284149696 FPGOJAYIHDQGAI-UHFFFAOYSA-N 453.060 2.226 70 10 JEIE COc1ccc(S(=O)(=O)Cl)cc1NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 703996705 LAPYSNVJSUFZTQ-UHFFFAOYSA-N 472.928 2.051 70 10 JEIE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)Nc1c(F)cc(S(=O)(=O)Cl)cc1F 703996721 LTOXNMJTMHCWMI-UHFFFAOYSA-N 478.882 2.320 70 10 JEIE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](S(=O)(=O)F)C1 2010542293 BZFYJOXBYMOQFD-ZWKOTPCHSA-N 457.568 2.302 70 10 JEIE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(S(=O)(=O)F)CC1 1974403529 ZVMDSVSPTGMLFR-MAUKXSAKSA-N 473.567 2.280 70 10 JEIE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](S(=O)(=O)F)C1 2010542291 BZFYJOXBYMOQFD-QZTJIDSGSA-N 457.568 2.302 70 10 JEIE CC(C)(C)OC(=O)N1CC[C@](COCc2ccccc2)(C(=O)N2CCN(S(=O)(=O)F)CC2)C1 2124723997 LNSMOKZAHCOLCR-QFIPXVFZSA-N 485.578 2.189 70 10 JEIE O=C(c1cc(Br)ccc1I)N1CCN(S(=O)(=O)F)CC1 1974001180 OJNNKATXMKSYEI-UHFFFAOYSA-N 477.093 2.026 70 10 JEIE CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCC[C@@H](S(=O)(=O)F)C2)CCN(Cc2ccccc2)C1 2060811458 MQKBTFGFSUEKPG-XMSQKQJNSA-N 469.579 2.446 70 10 JEIE Cc1c(CN2CCNCC2)cc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1OS(=O)(=O)F 1887578923 OYDQLXDAKCUGGB-UHFFFAOYSA-N 472.583 2.050 70 10 JEIE O=C(N[C@H]1CCN(S(=O)(=O)F)C1)c1cc(I)ccc1Br 2287071892 ZMUMAYGALOCTSI-QMMMGPOBSA-N 477.093 2.072 70 10 JEIE CC(C)CN1C(=O)c2ccc(NC(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)cc2C1=O 217279835 PPIDYMRIEGQRIL-UHFFFAOYSA-N 470.551 2.477 70 10 JEIE O=C(NCCn1nc(-c2ccccn2)c2c1CCCC2)c1ccc(S(=O)(=O)N2CCOCC2)cc1 217495352 MJGLBZNIVUXTIV-UHFFFAOYSA-N 495.605 2.275 70 10 JEIE C[C@@H](CS(C)(=O)=O)NC(=O)c1csc(S(=O)(=O)Cl)c1OCc1ccccc1 2156359504 WWDPCVHQRJLAFU-NSHDSACASA-N 451.975 2.418 70 10 JEIE COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)CNS(=O)(=O)c1ccc(F)c(Cl)c1 217906918 HEMOCZRBLLDISE-YVEFUNNKSA-N 488.896 2.118 70 10 JEIE COc1ccc(C(=O)N2CCC(NC(=O)[C@H](C)N3C(=O)c4ccccc4C3=O)CC2)cc1OC 216887598 SRFHVHHMYRSXLO-HNNXBMFYSA-N 465.506 2.109 70 10 JEIE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCc1ccc(S(=O)(=O)Cl)s1 2164488852 YUSUMNXGMKCCTK-KRWDZBQOSA-N 494.975 2.119 70 10 JEIE Cc1cc2ncc(CCCNC(=O)CNS(=O)(=O)c3c(Cl)cccc3Cl)cn2n1 218018563 DLYUVBUZVKVNEX-UHFFFAOYSA-N 456.355 2.372 70 10 JEIE CC(=O)N1CCCN(c2ccc(F)cc2NS(=O)(=O)c2cccc(S(=O)(=O)F)c2)CC1 848947865 NJQYATDXORAXJN-UHFFFAOYSA-N 473.523 2.343 70 10 JEIE CN(C)CCN(C(=O)Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)[C@@H]1CCS(=O)(=O)C1 217281324 RMNNAGMVOVLMAE-GOSISDBHSA-N 476.599 2.198 70 10 JEIE COc1ccc([C@@H](O)CNC(=O)C(=O)Nc2ccc3c(c2)N(C(=O)C(C)C)CCC3)cc1OC 217392700 MHPNWJHKAXWRBF-FQEVSTJZSA-N 469.538 2.427 70 10 JEIE O=S(=O)(F)CC1CN(S(=O)(=O)c2cc(Br)sc2Br)C1 2134976881 MBESRIREORJCAR-UHFFFAOYSA-N 457.162 2.193 70 10 JEIE COc1ccc(C(=O)N2CCC(CNC(=O)[C@@H](C)N3C(=O)c4ccccc4C3=O)CC2)cc1OC 216868989 UKPPDQXFGSBNAA-MRXNPFEDSA-N 479.533 2.357 70 10 JEIE COCCCN1C(=O)c2ccc(NC(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2C1=O 217281022 RHVMIMSWLQKDOF-UHFFFAOYSA-N 480.521 2.398 70 10 JEIE CC(C)(C)OC(=O)N1CCN(c2cc(CS(=O)(=O)Cl)cc(OS(=O)(=O)F)c2)CC1 1887522659 CPGKEWVHWLTZDL-UHFFFAOYSA-N 472.944 2.405 70 10 JEIE CC(C)(C)OC(=O)N1CC[C@@](COCc2ccccc2)(C(=O)N2CC(S(=O)(=O)F)C2)C1 2022183303 PSYNWBONSMQZJP-OAQYLSRUSA-N 456.536 2.341 70 10 JEIE CC(C)(C)OC(=O)Nc1cc(Br)cc(C(=O)NC2CN(S(=O)(=O)F)C2)c1 2268808658 GIBCHVHPHMTQFI-UHFFFAOYSA-N 452.302 2.424 70 10 JEIE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC(CCS(=O)(=O)F)C1 2022195956 DPSRQPWWWAIZRR-GOSISDBHSA-N 457.568 2.160 70 10 JEIE CS(=O)(=O)N1CCN(C(=O)NCCCOc2ccc(Br)cc2Cl)CC1 217299211 KJVBRUAFBUNVME-UHFFFAOYSA-N 454.774 2.158 70 10 JEIE COc1ccc(C(=O)N2CCC(NC(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)CC2)cc1OC 216889079 XMFNGSQCMAEBOC-HXUWFJFHSA-N 465.550 2.473 70 10 JEIE CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCC[C@H](S(=O)(=O)F)C2)CCN(Cc2ccccc2)C1 2060811457 MQKBTFGFSUEKPG-PGRDOPGGSA-N 469.579 2.446 70 10 JEIE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NCCc1ccc(S(=O)(=O)Cl)s1 2146005645 UVQGCAAFONYORA-UHFFFAOYSA-N 491.012 2.214 70 10 JEIE O=C(NC1(C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)CC1)OCC1c2ccccc2-c2ccccc21 1902263870 KQXLIOPHPURQPV-OAHLLOKOSA-N 473.526 2.463 70 10 JEIE CC(C)(C)OC(=O)N1CC[C@@](COCc2ccccc2)(C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)C1 2271497866 LXAFBJRBDLKLBM-PGRDOPGGSA-N 485.578 2.235 70 10 JEIE Cc1cc(Br)c(S(=O)(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1Br 159551351 KIVIJAUQGBUQDI-SECBINFHSA-N 461.197 2.328 70 10 JEIE C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N=c1[nH]n(C)cc1S(=O)(=O)F 1984695118 ORORKWRUUZICGV-CYBMUJFWSA-N 472.498 2.366 70 10 JEIE O=C(NC1(C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)CC1)OCC1c2ccccc2-c2ccccc21 1902263620 KQXLIOPHPURQPV-HNNXBMFYSA-N 473.526 2.463 70 10 JEIE O=S(=O)(F)[C@H]1CCN(S(=O)(=O)c2cc(Br)sc2Br)C1 2088469965 SHVPQPNVORPBKP-YFKPBYRVSA-N 457.162 2.335 70 10 JEIE O=C1C[C@@H](C(=O)N(CCN2CCOCC2)C2CCOCC2)CN1c1cccc(Br)c1 217284907 LTTHYPTZMIDFSP-QGZVFWFLSA-N 480.403 2.142 70 10 JEIE CC(C)N1C(=O)c2ccc(NC(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)cc2C1=O 217279422 KOYHGYDQPHMIFD-UHFFFAOYSA-N 456.524 2.229 70 10 JEIE O=S(=O)(F)[C@@H]1CCN(S(=O)(=O)c2ccc(Br)cc2Br)C1 2144732496 GOFWGYSVUSVNEJ-MRVPVSSYSA-N 451.133 2.274 70 10 JEIE COc1ccc(C(=O)NCC2CCN(C(=O)c3ccc(NS(C)(=O)=O)cc3)CC2)cc1OC 216869689 NWFDVHQZPWFCAO-UHFFFAOYSA-N 475.567 2.358 70 10 JEIE C[C@H](NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O)c1ccc(S(=O)(=O)Cl)cc1 703998170 WMSVMEOLRPJGFF-ZDUSSCGKSA-N 470.956 2.281 70 10 JEIE O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)c1ccc(I)c(Br)c1 2287063461 QRZPRNXNLAGZPX-MRVPVSSYSA-N 477.093 2.072 70 10 JEIE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1ccc(S(=O)(=O)Cl)cc1 2164485831 CNDQDBWMXZLLJT-SFHVURJKSA-N 474.919 2.380 70 10 JEIE COc1ccc(C(=O)NCC2CCN(C(=O)[C@@H](C)N3C(=O)c4ccccc4C3=O)CC2)cc1OC 216868922 FOSPABWRAYLBIO-MRXNPFEDSA-N 479.533 2.357 70 10 JEIE Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)[nH]1 2181135581 CQXYQPXFVGZLQA-JOCHJYFZSA-N 496.561 2.283 70 10 JEIE O=S1(=O)CC(COc2c(Br)cc(S(=O)(=O)F)cc2Br)C1 2191412982 ADLIZRQQEKQISW-UHFFFAOYSA-N 452.117 2.293 70 10 JEIE O=C(N[C@H]1[C@H]2C[C@H]1N(S(=O)(=O)c1ccc(S(=O)(=O)F)cc1)C2)OCc1ccccc1 2162886130 JATNIVKYYQVYRI-QGTPRVQTSA-N 454.501 2.033 70 10 JEIE O=C(CCCN1C(=O)c2ccc(Br)cc2C1=O)N1CCN(C(=O)C(F)(F)F)CC1 216711598 VGVDEGKCFZQMQU-UHFFFAOYSA-N 476.249 2.058 70 10 JEIE CC(C)(C)OC(=O)NC1(CC(=O)N2CCN(S(=O)(=O)F)CC2)CCN(Cc2ccccc2)CC1 1974015395 TXABUCYRTZZMDD-UHFFFAOYSA-N 498.621 2.295 70 10 JEIE O=C(CCCN1C(=O)c2ccc(Br)cc2C1=O)N1CCC(NC(=O)C(F)(F)F)CC1 216744682 CVAFROMSYYVLLB-UHFFFAOYSA-N 490.276 2.495 70 10 JEIE C[C@H](CS(C)(=O)=O)NC(=O)c1csc(S(=O)(=O)Cl)c1OCc1ccccc1 2156359502 WWDPCVHQRJLAFU-LLVKDONJSA-N 451.975 2.418 70 10 JEIE CC(C)(C)OC(=O)NC1(C(=O)N2CC[C@@H](S(=O)(=O)F)C2)CCN(Cc2ccccc2)CC1 2060817453 DVJVOCDIZYBGFR-GOSISDBHSA-N 469.579 2.446 70 10 JEIE O=C(N[C@@H]1[C@H]2C[C@@H]1N(S(=O)(=O)c1cccc(S(=O)(=O)F)c1)C2)OCc1ccccc1 2354606879 DPSQYYUGMIECMZ-JCGIZDLHSA-N 454.501 2.033 70 10 JEIE COc1ccc(C(=O)NC2CCN(C(=O)[C@@H](C)N3C(=O)c4ccccc4C3=O)CC2)cc1OC 216887457 BNSBSXYFJDMMGK-OAHLLOKOSA-N 465.506 2.109 70 10 JEIE CN(CC1CN(C(=O)OCc2ccccc2)C1)S(=O)(=O)c1ccc(S(=O)(=O)F)cc1 2162884066 NQBSDYBJLGSYCQ-UHFFFAOYSA-N 456.517 2.234 70 10 JEIE CCOC(=O)[C@@H]1CCCN(C(=O)NCCCN2C(=O)c3ccc(Br)cc3C2=O)C1 217306534 SNDOKAUBNWDIHX-CYBMUJFWSA-N 466.332 2.420 70 10 JEIE COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)CCNS(=O)(=O)c1cccc(Cl)c1 217905325 UKJDBCQGKZQXMY-QAPCUYQASA-N 484.933 2.369 70 10 JEIE COc1ccc(C(=O)N2CCN(C(=O)c3ccc4c(c3)C(=O)N(C(C)C)C4=O)CC2)cc1OC 216855717 VBYCEBOFEMREBI-UHFFFAOYSA-N 465.506 2.306 70 10 JEIE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)Nc1ccc(S(=O)(=O)Cl)c(Cl)c1 707448949 ZKLLAHCFCNKMDM-UHFFFAOYSA-N 463.320 2.305 70 10 JEIE O=C(C[C@H]1CSc2nc3c(c(=O)n21)CCC3)Nc1cnn(C[C@H]2COc3ccccc3O2)c1 218252588 BJRCONALIKYPJA-HOTGVXAUSA-N 465.535 2.444 70 10 JEIE O=C(NCCCN1C(=O)c2ccc(Br)cc2C1=O)N1CCN(c2ccccn2)CC1 217306717 FBJDJQZJCFQVRM-UHFFFAOYSA-N 472.343 2.362 70 10 JEIE NS(=O)(=O)c1ccc(CCNC(=S)Nc2ccc(I)cc2)cc1 217859194 JUSYUNJKOKPYPO-UHFFFAOYSA-N 461.350 2.468 70 10 JEIE CC(C)(C)OC(=O)N[C@@H](Cc1cccc(Br)c1)C(=O)N1CC(S(=O)(=O)F)C1 2237417585 UXHBELWXQVBKIT-AWEZNQCLSA-N 465.341 2.395 70 10 JEIE CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CCC(S(=O)(=O)F)CC2)CCN(Cc2ccccc2)C1 2060812078 UDPOXKYXBKENOM-QFIPXVFZSA-N 469.579 2.446 70 10 JEIE CCOC(=O)Oc1ccc(C(=O)NCCCNC(=O)CCN2C(=O)c3ccccc3C2=O)cc1 216700588 FGYXJDWVLPSSNS-UHFFFAOYSA-N 467.478 2.144 70 10 JEIE CN(C)CCN(C(=O)Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)[C@H]1CCS(=O)(=O)C1 217281325 RMNNAGMVOVLMAE-SFHVURJKSA-N 476.599 2.198 70 10 JEIE COc1ccc(C(=O)N2CCCN(C(=O)[C@H](C)N3C(=O)c4ccccc4C3=O)CC2)cc1OC 216857731 OUZKZIWQDWQIKT-INIZCTEOSA-N 465.506 2.063 70 10 JEIE O=C1O[C@]2(CCCN(C(=O)CNS(=O)(=O)c3ccc(F)c(Cl)c3)C2)c2ccccc21 217573832 LREMTXAZRSTPCS-FQEVSTJZSA-N 452.891 2.446 70 10 JEIE CC(C)OC(=O)c1cc(OS(=O)(=O)C(F)(F)F)nc(OS(=O)(=O)C(F)(F)F)c1 238809404 RUEMLSUNDITOAX-UHFFFAOYSA-N 461.314 2.104 70 10 JEIE O=C(NC1(C(=O)N2CCN(S(=O)(=O)F)CC2)CC1)OCC1c2ccccc2-c2ccccc21 1974000958 KCQBLAAATZLNJS-UHFFFAOYSA-N 473.526 2.416 70 10 JEIE O=C(CC[C@H](NC(=O)OCc1ccccc1)C(F)(F)F)N[C@@H]1CCN(S(=O)(=O)F)C1 2287067468 CTCUDSNPNCWSAI-KGLIPLIRSA-N 455.430 2.029 70 10 JEIE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N=c1[nH]n(C)cc1S(=O)(=O)F 1984695119 ORORKWRUUZICGV-ZDUSSCGKSA-N 472.498 2.366 70 10 JEIE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)Nc1ccc(S(=O)(=O)Cl)cc1F 703991667 UBZLRMPOFMJVQO-UHFFFAOYSA-N 460.892 2.181 70 10 JEIE O=C(c1ccccc1)c1ccc(OCC(=O)N2CCN(c3cc(-n4cncn4)ncn3)CC2)cc1 218628210 ILFNYGAVZVDDAR-UHFFFAOYSA-N 469.505 2.016 70 10 JEIE O=C(N[C@H]1CCCN(S(=O)(=O)c2cccc(S(=O)(=O)F)c2)C1)OCc1ccccc1 2296007426 YYSWLXMNLPMLTH-INIZCTEOSA-N 456.517 2.424 70 10 JEIE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](S(=O)(=O)F)C1 2010542292 BZFYJOXBYMOQFD-ROUUACIJSA-N 457.568 2.302 70 10 JEIE CC(C)(C)OC(=O)NCCN(CC(=O)N1CC(CCS(=O)(=O)F)C1)Cc1ccccc1 2022195344 UHCQXMDIAPMBHX-UHFFFAOYSA-N 457.568 2.161 70 10 JEIE COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 217960614 GDABDDWXUNEWSG-PXNSSMCTSA-N 476.526 2.445 70 10 JEIE CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CC[C@H](S(=O)(=O)F)C2)CCN(Cc2ccccc2)C1 2010538478 GQFAIJLRLLPRQQ-UWJYYQICSA-N 455.552 2.056 70 10 JEIE COc1ccc(C(=O)N2CCC(CNC(=O)c3ccc(NS(C)(=O)=O)cc3)CC2)cc1OC 216869721 FCCHGTQXIOQAEA-UHFFFAOYSA-N 475.567 2.358 70 10 JEIE Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H]3CC(=O)N([C@H](C)c4ccccc4)C3)CC2)cc1 217285365 YRMZTJHARLCPLQ-TZIWHRDSSA-N 470.595 2.373 70 10 JEIE CS(=O)(=O)CCCNC(=O)c1csc(S(=O)(=O)Cl)c1OCc1ccccc1 2156359689 XQMDFPMNPBAUJK-UHFFFAOYSA-N 451.975 2.419 70 10 JEIE Cc1c(OS(=O)(=O)F)cc(CN2CCN(C(=O)OC(C)(C)C)CC2)cc1N1CCNCC1 1887522567 RJQHKEDTRWVWBZ-UHFFFAOYSA-N 472.583 2.050 70 10 JEIE CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CCC[C@H](S(=O)(=O)F)C2)CCN(Cc2ccccc2)C1 2060811455 MQKBTFGFSUEKPG-AVRDEDQJSA-N 469.579 2.446 70 10 JEIE CC(C)(C)OC(=O)NC1(C(=O)NC2CCN(S(=O)(=O)F)CC2)CCN(Cc2ccccc2)CC1 2181143416 IDNFIQMYEXTINU-UHFFFAOYSA-N 498.621 2.341 70 10 JEIE O=S(=O)(F)[C@H]1CCN(S(=O)(=O)c2ccc(Br)cc2Br)C1 2144732497 GOFWGYSVUSVNEJ-QMMMGPOBSA-N 451.133 2.274 70 10 JEIE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCc1ccc(S(=O)(=O)Cl)s1 2164488853 YUSUMNXGMKCCTK-QGZVFWFLSA-N 494.975 2.119 70 10 JEIE O=C([C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)N1CCN(C(=O)C(F)(F)F)CC1 216711362 PZDKQHXQAZXOOX-GOSISDBHSA-N 459.424 2.127 70 10 JEIE CCc1nc(NS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)sc1S(=O)(=O)Cl 2097820697 WGARWHNDINCBBX-UHFFFAOYSA-N 477.973 2.061 70 10 JEIE O=C1O[C@]2(CCCN(C(=O)CCNS(=O)(=O)c3c(F)cccc3F)C2)c2ccccc21 217574614 ZQGYRNRKAFFPCZ-NRFANRHFSA-N 450.463 2.322 70 10 JEIE CN([C@@H]1CC[C@@H]1NC(=O)OCc1ccccc1)S(=O)(=O)c1cccc(S(=O)(=O)F)c1 2162885756 FZMDNJXTLQDCHE-ZWKOTPCHSA-N 456.517 2.423 70 10 JEIE NC(=O)COCCOc1c(Br)cc(S(=O)(=O)Cl)cc1Br 2241015988 SKNMNZIZRPXSFQ-UHFFFAOYSA-N 451.520 2.020 70 10 JEIE Cc1cc(S(=O)(=O)Cl)ccc1NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 703992074 WRVNEIGTHKERPD-UHFFFAOYSA-N 456.929 2.351 70 10 JEIE CN([C@@H]1CC[C@@H]1NC(=O)OCc1ccccc1)S(=O)(=O)c1ccc(S(=O)(=O)F)cc1 2162886837 PWSBVFCDYQMHBM-ZWKOTPCHSA-N 456.517 2.423 70 10 JEIE CC(C)(C)OC(=O)N[C@]1(C(=O)N2CC(CCS(=O)(=O)F)C2)CCN(Cc2ccccc2)C1 2079001892 YTNUOJJBALKYAH-JOCHJYFZSA-N 469.579 2.304 70 10 JEIE O=C1O[C@@]2(CCCN(C(=O)CCNS(=O)(=O)c3c(F)cccc3F)C2)c2ccccc21 217574548 ZQGYRNRKAFFPCZ-OAQYLSRUSA-N 450.463 2.322 70 10 JEIE COc1ccc(C(=O)N2CCC(CNC(=O)CCN3C(=O)c4ccccc4C3=O)CC2)cc1OC 216869658 HXMNXEJKNBMXTB-UHFFFAOYSA-N 479.533 2.359 70 10 JEIE COc1ccc(C(=O)N2CCCN(C(=O)[C@H]3CC(=O)N(Cc4ccccc4)C3)CC2)cc1OC 216858195 QASVLYQZGUBPFH-NRFANRHFSA-N 465.550 2.427 70 10 JEIE O=C(N[C@H]1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)F)cc2)C1)OCc1ccccc1 2296040104 GXMCLDARJHAMPV-INIZCTEOSA-N 456.517 2.424 70 10 JEIE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](S(=O)(=O)F)C1 2010542290 BZFYJOXBYMOQFD-MSOLQXFVSA-N 457.568 2.302 70 10 JEIE O=S(=O)(F)[C@@H]1CCN(S(=O)(=O)c2cc(Br)sc2Br)C1 2088469964 SHVPQPNVORPBKP-RXMQYKEDSA-N 457.162 2.335 70 10 JEIE CC(=O)O[C@@H]1[C@H](CI)O[C@H](Oc2ccccc2)[C@H](OC(C)=O)[C@@H]1OC(C)=O 35805267 GSJYCHGFHMUGRN-TZNCUMHOSA-N 492.262 2.020 70 10 JEIE biogenic Cc1c(OS(=O)(=O)F)cc(CN2CCNCC2)cc1N1CCN(C(=O)OC(C)(C)C)CC1 1887522490 KSMCADYGGFOXHK-UHFFFAOYSA-N 472.583 2.050 70 10 JEIE O=S(=O)(c1ccc(Oc2ccccc2)cc1)N1CCN(c2cc(-n3cncn3)ncn2)CC1 218679674 KFAUKUDPDOXFEN-UHFFFAOYSA-N 463.523 2.361 70 10 JEIE CCOC(=O)N1CCC(NC(=O)NCCCN2C(=O)c3ccc(Br)cc3C2=O)CC1 217306664 HWJZAVCWRAPYDU-UHFFFAOYSA-N 481.347 2.355 70 10 JEIE CO[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)N(S(C)(=O)=O)CCC2)c1ccccc1Cl 218352264 UIBUUIQNZQHJEZ-LJQANCHMSA-N 465.959 2.495 70 10 JEIE Cc1c(CN2CCN(C(=O)OC(C)(C)C)CC2)cc(OS(=O)(=O)F)cc1S(=O)(=O)F 1887522833 SBHCRWBJCBGPTP-UHFFFAOYSA-N 470.516 2.299 70 10 JEIE O=C(c1cc(Br)ccc1I)N1CC(CS(=O)(=O)F)C1 1968215404 FPRPCZGMNHVFGO-UHFFFAOYSA-N 462.078 2.425 70 10 JEIE O=C(c1ccc(Br)cc1I)N1CCN(S(=O)(=O)F)CC1 1974001457 UGKKJBFWMVSRDE-UHFFFAOYSA-N 477.093 2.026 70 10 JEIE COCCn1c(C(=O)NC[C@@H]2CCCN2c2nccs2)cc2c(=O)n3ccccc3nc21 217752125 MFDYKCJTKGSZKY-HNNXBMFYSA-N 452.540 2.151 70 10 JEIE COc1ccc(C(=O)NC2CCN(C(=O)[C@H]3CC(=O)N(Cc4ccccc4)C3)CC2)cc1OC 216888919 OUDYIVVYMZJMBK-FQEVSTJZSA-N 465.550 2.473 70 10 JEIE Cc1c(CN2CCNCC2)cc(OS(=O)(=O)F)c(C)c1N1CCN(C(=O)OC(C)(C)C)CC1 1887521162 VYSOJEYAKFSAIL-UHFFFAOYSA-N 486.610 2.359 70 10 JEIE CC(C)(C)OC(=O)NC1(CC(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)CCN(Cc2ccccc2)CC1 2287072256 XFWSZYMXIMZDLI-LJQANCHMSA-N 498.621 2.341 70 10 JEIE Cc1cc(Br)c(S(=O)(=O)N[C@H]2CCCS(=O)(=O)C2)cc1Br 159658113 JTFDAKRTMXBDTO-VIFPVBQESA-N 461.197 2.376 70 10 JEIE COc1ccc(C(=O)NC2CCN(C(=O)[C@H](C)N3C(=O)c4ccccc4C3=O)CC2)cc1OC 216887500 BNSBSXYFJDMMGK-HNNXBMFYSA-N 465.506 2.109 70 10 JEIE COCCN(C(=O)Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)[C@H]1CCS(=O)(=O)C1 217281327 CKUQNVSWPQMOCC-KRWDZBQOSA-N 463.556 2.283 70 10 JEIE Cc1nc(NS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)sc1S(=O)(=O)Cl 2089786806 OLGQRIQPNOUPRP-UHFFFAOYSA-N 477.973 2.197 70 10 JEIE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)Nc1ccc(S(=O)(=O)Cl)c(F)c1 703988841 DZGUYZCBLGUXID-UHFFFAOYSA-N 460.892 2.181 70 10 JEIE CC(=O)N1CCCN(c2ccc(F)cc2NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)CC1 848947726 FVMBRMQZYPGGMX-UHFFFAOYSA-N 473.523 2.343 70 10 JEIE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)CCc2ccc(S(=O)(=O)F)cc2)c1 1356457763 IGIGPDUBHLPJQO-UHFFFAOYSA-N 458.511 2.151 70 10 JEIE Cc1cc(Br)c(S(=O)(=O)NC2CCS(=O)(=O)CC2)cc1Br 159546796 CAIUGJYFTQPECE-UHFFFAOYSA-N 461.197 2.376 70 10 JEIE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)(C(=O)N2CC[C@H](S(=O)(=O)F)C2)C1 2248507272 JYHGMKCKYFCQNU-KRWDZBQOSA-N 456.536 2.341 70 10 JEIE COCCn1c(C(=O)NC[C@@H]2CCCN(c3nccs3)C2)cc2c(=O)n3ccccc3nc21 218141912 OGZSIOGIXHCZSV-INIZCTEOSA-N 466.567 2.399 70 10 JEIE CC(C)(C)OC(=O)NCCNC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 217263667 YVGOSDAUFVCYSX-UHFFFAOYSA-N 462.956 2.007 70 10 JEIE COc1cc(-c2cc(C(=O)N(CCN3CCOCC3)C3CCOCC3)[nH]n2)cc(OC)c1OC 217285263 IGZMCDITWBANFL-UHFFFAOYSA-N 474.558 2.056 70 10 JEIE CN([C@@H]1CCN(C(=O)OCc2ccccc2)C1)S(=O)(=O)c1ccc(S(=O)(=O)F)cc1 2162876491 FGCQUUODFULCGR-MRXNPFEDSA-N 456.517 2.376 70 10 JEIE O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)c1cc(I)ccc1Br 2287071889 ZMUMAYGALOCTSI-MRVPVSSYSA-N 477.093 2.072 70 10 JEIE COCCn1c(C(=O)NCCCc2cnc3cc(C)nn3c2)cc2c(=O)n3ccccc3nc21 218022945 AGPLNWMIVGHQLL-UHFFFAOYSA-N 459.510 2.009 70 10 JEIE CN([C@@H]1CCN(C(=O)OCc2ccccc2)C1)S(=O)(=O)c1cccc(S(=O)(=O)F)c1 2162877871 JLABQYLQTARCRL-MRXNPFEDSA-N 456.517 2.376 70 10 JEIE COCCNC(=O)COc1c(Br)cc(S(=O)(=O)Cl)cc1Br 215852196 CJHMMOXTUVIXOZ-UHFFFAOYSA-N 465.547 2.281 70 10 JEIE COc1cc(NS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)ccc1S(=O)(=O)Cl 703996729 LZBVDCJZQLRPAS-UHFFFAOYSA-N 472.928 2.051 70 10 JEIE COc1ccc(C(=O)NCC2CCN(C(=O)CCN3C(=O)c4ccccc4C3=O)CC2)cc1OC 216869625 TUCHPMIACJBPDH-UHFFFAOYSA-N 479.533 2.359 70 10 JEIE CC(=O)N1CCN(c2ccc(C(=O)Nc3cccc(S(=O)(=O)F)c3)cc2[N+](=O)[O-])CC1 1517410097 JURIATQJYMYXFK-UHFFFAOYSA-N 450.448 2.174 70 10 JEIE Cc1c(CN2CCN(C(=O)OC(C)(C)C)CC2)cc(N2CCNCC2)c(C)c1OS(=O)(=O)F 1887521097 PRJUUBZNMBAYSZ-UHFFFAOYSA-N 486.610 2.359 70 10 JEIE CC(=O)N[C@](C)(C(=O)Nc1ccc(C)c(S(=O)(=O)F)c1)c1ccc(S(C)(=O)=O)cc1 1131575956 QREJHUFCAXSKOL-IBGZPJMESA-N 456.517 2.047 70 10 JEIE CCOc1cc(NC(=O)N(CCN(C)C)[C@@H]2CCS(=O)(=O)C2)cc(OCC)c1OCC 217274881 CBAMXCNYMPCVHE-QGZVFWFLSA-N 457.593 2.465 70 10 JEIE O=C1O[C@]2(CCCN(C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)C2)c2ccccc21 217569659 GLNMNDUMQITLET-QHCPKHFHSA-N 456.520 2.009 70 10 JEIE CCc1nc(NS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)sc1S(=O)(=O)Cl 2154098777 BVSHGDBTPKCFHC-UHFFFAOYSA-N 492.000 2.451 70 10 JEIE O=C(NCCn1nc(-c2ccncc2)c2c1CCCC2)c1ccc(S(=O)(=O)N2CCOCC2)cc1 217458211 ATPUEVUTNRYNSR-UHFFFAOYSA-N 495.605 2.275 70 10 JEIE Cc1c(OS(=O)(=O)F)cc(CN2CCN(C(=O)OC(C)(C)C)CC2)cc1S(=O)(=O)F 1887522765 LXUKOKCLSNRLRU-UHFFFAOYSA-N 470.516 2.299 70 10 JEIE C[C@H](NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O)c1ccc(S(=O)(=O)Cl)s1 703991175 PHIIFBVATKNQJY-NSHDSACASA-N 476.985 2.342 70 10 JEIE COc1ccc(C(=O)N2CCCN(C(=O)[C@@H](C)N3C(=O)c4ccccc4C3=O)CC2)cc1OC 216857701 OUZKZIWQDWQIKT-MRXNPFEDSA-N 465.506 2.063 70 10 JEIE Cn1c(=O)oc2ccc(S(=O)(=O)NCCn3nc(-c4ccncc4)c4c3CCCC4)cc21 217475547 HBHXJADZVHCZRC-UHFFFAOYSA-N 453.524 2.247 70 10 JEIE O=C(OCc1ccccc1)N1CCc2ncn3c(OS(=O)(=O)C(F)(F)F)nnc3c2CC1 380961605 BAKYWMYCOSNPKS-UHFFFAOYSA-N 471.417 2.090 70 10 JEIE Cc1cc(Br)c(S(=O)(=O)NC[C@H]2CCS(=O)(=O)C2)cc1Br 159612872 DNCBWWDDOMYERZ-SECBINFHSA-N 461.197 2.233 70 10 JEIE COc1ccc(C(=O)N2CCC(NC(=O)[C@@H](C)N3C(=O)c4ccccc4C3=O)CC2)cc1OC 216887556 SRFHVHHMYRSXLO-OAHLLOKOSA-N 465.506 2.109 70 10 JEIE O=S(=O)(F)CC1CN(S(=O)(=O)c2cc(Br)ccc2Br)C1 2199691360 ZRMWOZXYVQMPNJ-UHFFFAOYSA-N 451.133 2.131 70 10 JEIE COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)CCNS(=O)(=O)c1cccc(Cl)c1 217905163 UKJDBCQGKZQXMY-YJBOKZPZSA-N 484.933 2.369 70 10 JEIE CC(C)(C)OC(=O)Nc1ccc(C(=O)NC2CN(S(=O)(=O)F)C2)cc1I 2268806811 YODGLBVKWFDUQL-UHFFFAOYSA-N 499.302 2.267 70 10 JEIE C[C@H](c1ccccc1)N1C[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1=O 217285361 WYHFTSAUAJBTDW-QUCCMNQESA-N 456.568 2.065 70 10 JEIE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)N1CCC(S(=O)(=O)F)CC1 2060818276 NWMSMTBSANIJLF-KRWDZBQOSA-N 472.535 2.304 70 10 JEIE CCCc1nc(NS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)sc1S(=O)(=O)Cl 2154102412 YAEHIMWNTVHLMH-UHFFFAOYSA-N 492.000 2.451 70 10 JEIE O=[N+]([O-])c1cc(Br)c(Br)cc1S(=O)(=O)CCS(=O)(=O)Cl 2234075882 ZBXRAGDRSWXYKT-UHFFFAOYSA-N 471.532 2.462 70 10 JEIE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)N1CC(S(=O)(=O)F)C1 2237417450 RRIDQOXDOZNGNN-AWEZNQCLSA-N 465.341 2.395 70 10 JEIE O=C(N[C@@H]1[C@H]2C[C@H]1N(S(=O)(=O)c1cccc(S(=O)(=O)F)c1)C2)OCc1ccccc1 2162885596 DPSQYYUGMIECMZ-BMGDILEWSA-N 454.501 2.033 70 10 JEIE COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)CCNS(=O)(=O)c1cccc(C)c1 217906646 AFIYKLYVAZVRSO-APWZRJJASA-N 464.515 2.024 70 10 JEIE O=C([C@H]1CCCCN1c1ccc(-c2ccccc2)nn1)N1CCN(c2cc(-n3cncn3)ncn2)CC1 218645418 DYTNSUSZCBNLDK-JOCHJYFZSA-N 496.579 2.222 70 10 JEIE Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)CC2)cc1 217285370 YRMZTJHARLCPLQ-FPOVZHCZSA-N 470.595 2.373 70 10 JEIE COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 217960802 GDABDDWXUNEWSG-YLJYHZDGSA-N 476.526 2.445 70 10 JEIE COc1ccc(C(=O)N2CCC(NC(=O)CCN3C(=O)c4ccccc4C3=O)CC2)cc1OC 216888358 SOKVZSHEOXLYNZ-UHFFFAOYSA-N 465.506 2.111 70 10 JEIE CCOc1cc(NC(=O)N(CCN(C)C)[C@H]2CCS(=O)(=O)C2)cc(OCC)c1OCC 217274883 CBAMXCNYMPCVHE-KRWDZBQOSA-N 457.593 2.465 70 10 JEIE O=C(c1cc(I)ccc1Br)N1CCN(S(=O)(=O)F)CC1 1974001095 MYGPXBKRTYIQMO-UHFFFAOYSA-N 477.093 2.026 70 10 JEIE CC(C)(C)OC(=O)Nc1cc(I)cc(C(=O)NC2CN(S(=O)(=O)F)C2)c1 2268809299 MBZBOJGXZJKBBO-UHFFFAOYSA-N 499.302 2.267 70 10 JEIE CCS(=O)(=O)N(C)NC(=O)c1csc(S(=O)(=O)Cl)c1OCc1ccccc1 2365317087 RZUIKFJGVWONRN-UHFFFAOYSA-N 452.963 2.181 70 10 JEIE Cc1c(CN2CCN(C(=O)OC(C)(C)C)CC2)cc(N2CCNCC2)cc1OS(=O)(=O)F 1887506200 RRZMKWNERIWFKE-UHFFFAOYSA-N 472.583 2.050 70 10 JEIE COc1ccc(C(=O)NC2CCN(C(=O)c3ccc(NS(C)(=O)=O)cc3)CC2)cc1OC 216888421 IFYKFMTVNNSHMY-UHFFFAOYSA-N 461.540 2.110 70 10 JEIE COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)CNS(=O)(=O)c1ccc(F)c(Cl)c1 217907099 HEMOCZRBLLDISE-SJKOYZFVSA-N 488.896 2.118 70 10 JEIE COc1ccc(NS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)cc1S(=O)(=O)Cl 703997222 PNKDTQYYXPMUOG-UHFFFAOYSA-N 472.928 2.051 70 10 JEIE Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)[nH]1 2181135582 CQXYQPXFVGZLQA-QFIPXVFZSA-N 496.561 2.283 70 10 JEIE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)(C(=O)N2CC[C@@H](S(=O)(=O)F)C2)C1 2248507273 JYHGMKCKYFCQNU-QGZVFWFLSA-N 456.536 2.341 70 10 JEIE Cc1cc(NS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)ccc1S(=O)(=O)Cl 707386890 DXIRFKMLHOJSIB-UHFFFAOYSA-N 456.929 2.351 70 10 JEIE Cc1c(OS(=O)(=O)F)cc(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc1B(O)O 1887522584 UETHWOREIPZCLI-UHFFFAOYSA-N 485.298 2.307 70 10 JEIE Cn1c(=O)oc2ccc(S(=O)(=O)NCCn3nc(-c4ccccn4)c4c3CCCC4)cc21 217512423 DGPLUIOTFBVQTG-UHFFFAOYSA-N 453.524 2.247 70 10 JEIE O=C(NC1CCN(S(=O)(=O)c2ccc(S(=O)(=O)F)cc2)CC1)OCc1ccccc1 2162884741 VGFXRVWGEOFJOY-UHFFFAOYSA-N 456.517 2.424 70 10 JEIE CC(C)(C)OC(=O)N1CC[C@](COCc2ccccc2)(C(=O)N2CC(S(=O)(=O)F)C2)C1 2022183302 PSYNWBONSMQZJP-NRFANRHFSA-N 456.536 2.341 70 10 JEIE CC(C)(C)OC(=O)NC1(C(=O)N2CC[C@H](S(=O)(=O)F)C2)CCN(Cc2ccccc2)CC1 2060817454 DVJVOCDIZYBGFR-SFHVURJKSA-N 469.579 2.446 70 10 JEIE Cc1c(OS(=O)(=O)F)cc(CS(=O)(=O)F)cc1N1CCN(C(=O)OC(C)(C)C)CC1 1887521727 GZKHSJYPENCQRD-UHFFFAOYSA-N 470.516 2.445 70 10 JEIE COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)CCCN1C(=O)c2ccccc2C1=O 217942684 SVAUUYOEXKVKAV-KXBFYZLASA-N 454.454 2.423 70 10 JEIE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)N1CCC[C@@H](S(=O)(=O)F)C1 2060817181 APOAKXMOWOVKJL-SJORKVTESA-N 472.535 2.304 70 10 JEIE CC(C)(C)OC(=O)N1CC[C@](COCc2ccccc2)(C(=O)NCC2CN(S(=O)(=O)F)C2)C1 2124723400 DJFDITADVREDFJ-QFIPXVFZSA-N 485.578 2.093 70 10 JEIE C[C@@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(S(=O)(=O)F)CC1 2060819254 ZVMDSVSPTGMLFR-QAPCUYQASA-N 473.567 2.280 70 10 JEIE CCOc1cc(C(=O)N2CCN(c3cc(-n4cncn4)ncn3)CC2)cc(OCC)c1OCC 218632575 KVOOENMCHQMMSD-UHFFFAOYSA-N 467.530 2.216 70 10 JEIE O=C(N[C@H]1CCN(S(=O)(=O)F)C1)c1cc(Br)ccc1I 2287080071 XVKXYTFPGGXWFU-QMMMGPOBSA-N 477.093 2.072 70 10 JEIE O=C1C[C@H](C(=O)N(CCN2CCOCC2)C2CCOCC2)CN1c1cccc(Br)c1 217284909 LTTHYPTZMIDFSP-KRWDZBQOSA-N 480.403 2.142 70 10 JEIE CC(C)(C)OC(=O)N[C@H](Cc1ccccc1Br)C(=O)N1CC(S(=O)(=O)F)C1 2237420891 YHPDYDLGVLQUOT-CQSZACIVSA-N 465.341 2.395 70 10 JEIE O=S(=O)(F)[C@@H]1CCN(S(=O)(=O)c2cc(Br)ccc2Br)C1 2144734187 YBYIILRLVWIHET-MRVPVSSYSA-N 451.133 2.274 70 10 JEIE CC(C)(C)OC(=O)N1CC[C@@](COCc2ccccc2)(C(=O)N2CCN(S(=O)(=O)F)CC2)C1 2124723996 LNSMOKZAHCOLCR-JOCHJYFZSA-N 485.578 2.189 70 10 JEIE Cc1cc(Br)c(S(=O)(=O)NC[C@@H]2CCS(=O)(=O)C2)cc1Br 159612732 DNCBWWDDOMYERZ-VIFPVBQESA-N 461.197 2.233 70 10 JEIE CC(=O)N1CCN(c2cccc(NS(=O)(=O)c3cccc(S(=O)(=O)F)c3)c2C)C1=O 865210794 OWQUHEKOZRWSAP-UHFFFAOYSA-N 455.489 2.243 70 10 JEIE C#CCOCCOCCOCCOCCOCCC(=O)Oc1c(F)c(F)c(F)c(F)c1F 888087343 NWISPSNLWMLYFW-UHFFFAOYSA-N 470.387 2.394 70 10 JEIE COc1ccc(C(=O)N2CCCN(C(=O)c3ccc(NS(C)(=O)=O)cc3)CC2)cc1OC 216858041 TVTBHUUPKTZCJB-UHFFFAOYSA-N 461.540 2.064 70 10 JEIE Cc1cc2ncc(CCCNC(=O)CCNS(=O)(=O)c3ccc(F)c(Cl)c3)cn2n1 218019454 KIXRRYQOZYLSKS-UHFFFAOYSA-N 453.927 2.248 70 10 JEIE CC(C)(C)OC(=O)N1CC[C@@](COCc2ccccc2)(C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)C1 2271497867 LXAFBJRBDLKLBM-XMSQKQJNSA-N 485.578 2.235 70 10 JEIE Cc1cc(Br)c(S(=O)(=O)N[C@@H]2CCCS(=O)(=O)C2)cc1Br 159657970 JTFDAKRTMXBDTO-SECBINFHSA-N 461.197 2.376 70 10 JEIE CO[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)N(S(C)(=O)=O)CCC2)c1ccccc1Cl 218352192 UIBUUIQNZQHJEZ-IBGZPJMESA-N 465.959 2.495 70 10 JEIE CC(C)(C)OC(=O)Nc1cc(Br)ccc1C(=O)NC1CN(S(=O)(=O)F)C1 2268809221 LJFYBHWGTDYDNR-UHFFFAOYSA-N 452.302 2.424 70 10 JEIE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1ccccc1S(=O)(=O)F 2164487617 ODQFXCZHNIWSQQ-GOSISDBHSA-N 458.464 2.111 70 10 JEIE COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)CCNS(=O)(=O)c1cccc(Cl)c1 217905408 UKJDBCQGKZQXMY-CRAIPNDOSA-N 484.933 2.369 70 10 JEIE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)Nc1ccc(S(=O)(=O)Cl)cc1Cl 703989711 JEBJIGYVUAFQLV-UHFFFAOYSA-N 463.320 2.305 70 10 JEIE CCOc1ccc(NS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)cc1S(=O)(=O)Cl 703991288 RAGFUXXODCGDLM-UHFFFAOYSA-N 472.928 2.051 70 10 JEIE O=C(NCCn1nc(C(F)(F)F)c2c1CCCC2)c1ccc(S(=O)(=O)N2CCOCC2)cc1 217533210 CCQGNUZYPUIKNL-UHFFFAOYSA-N 486.516 2.232 70 10 JEIE Cc1c(CS(=O)(=O)F)cc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1OS(=O)(=O)F 1887521953 RIWBYAYEALCWFO-UHFFFAOYSA-N 470.516 2.445 70 10 JEIE CC(C)(C)OC(=O)NCCN(CC(=O)N1CCC[C@@H](S(=O)(=O)F)C1)Cc1ccccc1 2010540797 LXFZKXGHJYDLKP-GOSISDBHSA-N 457.568 2.304 70 10 JEIE Cc1c(CN2CCN(C(=O)OC(C)(C)C)CC2)cc(OS(=O)(=O)F)c(C)c1N1CCNCC1 1887521166 WMIPLGXXQQZWSV-UHFFFAOYSA-N 486.610 2.359 70 10 JEIE O=C(NCCCN1C(=O)c2ccc(Br)cc2C1=O)N1CCN(C(=O)c2ccco2)CC1 217306705 YQGQXOJWMWGSMH-UHFFFAOYSA-N 489.326 2.196 70 10 JEIE CCOC(=O)C1CCN(C(=O)NCCCN2C(=O)c3ccc(Br)cc3C2=O)CC1 217306401 KUQCVAZSRMGHHM-UHFFFAOYSA-N 466.332 2.420 70 10 JEIE Cn1cc(S(=O)(=O)F)c(NC(=O)CN(CCNC(=O)OC(C)(C)C)Cc2ccccc2)n1 2060816265 YULNUFYWVQOAJY-UHFFFAOYSA-N 469.539 2.044 70 10 JEIE CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)C(=O)N1CC(S(=O)(=O)F)C1 2199690454 RRIDQOXDOZNGNN-CQSZACIVSA-N 465.341 2.395 70 10 JEIE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)(C(=O)NC2CCN(S(=O)(=O)F)CC2)C1 2268767387 OQVWUWYTQYBMCZ-UHFFFAOYSA-N 485.578 2.235 70 10 JEIE CCOC(=O)Oc1ccc(C(=O)NCCCNC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)cc1 216699899 OHIDGKYXNLXMLP-OAHLLOKOSA-N 467.478 2.143 70 10 JEIE O=C(N[C@@H]1CCCN(S(=O)(=O)c2cccc(S(=O)(=O)F)c2)C1)OCc1ccccc1 2296007427 YYSWLXMNLPMLTH-MRXNPFEDSA-N 456.517 2.424 70 10 JEIE CC(C)(C)OC(=O)N1CC[C@](COCc2ccccc2)(C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)C1 2271497865 LXAFBJRBDLKLBM-GCJKJVERSA-N 485.578 2.235 70 10 JEIE O=S(=O)(c1cc(C(F)(F)F)ccc1Cl)N1CCN(c2cc(-n3cncn3)ncn2)CC1 218680410 XLCLRRUBGGTKDO-UHFFFAOYSA-N 473.868 2.240 70 10 JEIE CC(C)(C)OC(=O)NCCN(CC(=O)N1CCC[C@H](S(=O)(=O)F)C1)Cc1ccccc1 2010540798 LXFZKXGHJYDLKP-SFHVURJKSA-N 457.568 2.304 70 10 JEIE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCc1ccc(S(=O)(=O)Cl)s1 703992171 XYEKHAMVFDIXIN-UHFFFAOYSA-N 491.012 2.417 70 10 JEIE O=C1OC2(CCN(C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)c2ccccc21 217518393 SMTLVESWYIWZIA-UHFFFAOYSA-N 456.520 2.009 70 10 JEIE O=C(C[C@@H]1CSc2nc3c(c(=O)n21)CCC3)Nc1cnn(C[C@@H]2COc3ccccc3O2)c1 218252530 BJRCONALIKYPJA-HZPDHXFCSA-N 465.535 2.444 70 10 JEIE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)CC(=O)NC1CCN(S(=O)(=O)F)CC1 1974395291 YIGMGLVQXXJWAP-SFHVURJKSA-N 473.567 2.282 70 10 JEIE Cc1c(CN2CCNCC2)cc(OS(=O)(=O)F)cc1N1CCN(C(=O)OC(C)(C)C)CC1 1887522539 OVTWHECFOPFVJF-UHFFFAOYSA-N 472.583 2.050 70 10 JEIE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC(CCS(=O)(=O)F)C1 2022195957 DPSRQPWWWAIZRR-SFHVURJKSA-N 457.568 2.160 70 10 JEIE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(S(=O)(=O)F)CC1 2010542646 DKJZGYHZNZJCKM-GOSISDBHSA-N 457.568 2.302 70 10 JEIE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(S(=O)(=O)F)CC1 2060819255 ZVMDSVSPTGMLFR-YJBOKZPZSA-N 473.567 2.280 70 10 JEIE Cc1cc(Br)c(S(=O)(=O)NC[C@H]2CCCS2(=O)=O)cc1Br 159687583 UAFSUMOVVFWONA-SECBINFHSA-N 461.197 2.376 70 10 JEIE Cc1nc(NS(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)sc1S(=O)(=O)Cl 2164488336 VWXBPOFJKGEWMO-MRXNPFEDSA-N 495.963 2.145 70 10 JEIE CCOC(=O)Oc1ccc(C(=O)NCCCNC(=O)c2ccc(NS(C)(=O)=O)cc2)cc1 216700650 GLPNQAANCDKSHG-UHFFFAOYSA-N 463.512 2.143 70 10 JEIE Cc1cc(Br)c(S(=O)(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1Br 159551511 KIVIJAUQGBUQDI-VIFPVBQESA-N 461.197 2.328 70 10 JEIE COCCn1c(C(=O)NC[C@H]2CCCN(c3nccs3)C2)cc2c(=O)n3ccccc3nc21 218141998 OGZSIOGIXHCZSV-MRXNPFEDSA-N 466.567 2.399 70 10 JEIE Cc1nc(NS(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)sc1S(=O)(=O)Cl 703991169 OZSLDHICRBMMHW-UHFFFAOYSA-N 492.000 2.443 70 10 JEIE COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)CCCN1C(=O)c2ccccc2C1=O 217942876 SVAUUYOEXKVKAV-BEFAXECRSA-N 454.454 2.423 70 10 JEIE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(S(=O)(=O)F)CC1 2060819253 ZVMDSVSPTGMLFR-CRAIPNDOSA-N 473.567 2.280 70 10 JEIE CC(C)(C)OC(=O)NC1(CC(=O)NCC2CN(S(=O)(=O)F)C2)CCN(Cc2ccccc2)CC1 1974054915 KDCNKQZHEJQFBE-UHFFFAOYSA-N 498.621 2.198 70 10 JEIE O=S(=O)(Cl)CCS(=O)(=O)c1ncc(C(F)(F)F)cc1I 686120325 UIACKLQVHVRXID-UHFFFAOYSA-N 463.624 2.047 70 10 JEIE CC(C)(C)OC(=O)Nc1cc(C(=O)NC2CN(S(=O)(=O)F)C2)ccc1Br 2268804920 FYVHUTLUYDWOFI-UHFFFAOYSA-N 452.302 2.424 70 10 JEIE CC(C)(C)OC(=O)NC1(CC(=O)N[C@H]2CCN(S(=O)(=O)F)C2)CCN(Cc2ccccc2)CC1 2287072251 XFWSZYMXIMZDLI-IBGZPJMESA-N 498.621 2.341 70 10 JEIE Cc1cc(Br)c(S(=O)(=O)N2CC(S(=O)(=O)F)C2)cc1Br 2199698345 OMKUAPULGNEJGX-UHFFFAOYSA-N 451.133 2.192 70 10 JEIE CC(C)(C)OC(=O)Nc1ccc(C(=O)NC2CN(S(=O)(=O)F)C2)cc1Br 2268805695 MKZCOLHSGPCXST-UHFFFAOYSA-N 452.302 2.424 70 10 JEIE COc1ccc(C(=O)N2CCC(NC(=O)c3ccc(NS(C)(=O)=O)cc3)CC2)cc1OC 216888481 GBYGRJCDBJWIMH-UHFFFAOYSA-N 461.540 2.110 70 10 JEIE C[C@H](c1ccccc1)N1C[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1=O 217285357 WYHFTSAUAJBTDW-UYAOXDASSA-N 456.568 2.065 70 10 JEIE CN([C@H]1CC[C@@H]1NC(=O)OCc1ccccc1)S(=O)(=O)c1ccc(S(=O)(=O)F)cc1 2162886836 PWSBVFCDYQMHBM-ROUUACIJSA-N 456.517 2.423 70 10 JEIE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1ccccc1S(=O)(=O)F 2164487618 ODQFXCZHNIWSQQ-SFHVURJKSA-N 458.464 2.111 70 10 JEIE C[C@@H](c1ccccc1)N1C[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1=O 217285363 WYHFTSAUAJBTDW-ICSRJNTNSA-N 456.568 2.065 70 10 JEIE COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)CNS(=O)(=O)c1ccc(F)c(Cl)c1 217906827 HEMOCZRBLLDISE-SJCJKPOMSA-N 488.896 2.118 70 10 JEIE O=S(=O)(F)[C@H]1CCN(S(=O)(=O)c2cc(Br)ccc2Br)C1 2144734188 YBYIILRLVWIHET-QMMMGPOBSA-N 451.133 2.274 70 10 JEIE CN([C@@H]1CC[C@H]1NC(=O)OCc1ccccc1)S(=O)(=O)c1ccc(S(=O)(=O)F)cc1 2162886835 PWSBVFCDYQMHBM-QZTJIDSGSA-N 456.517 2.423 70 10 JEIE Cc1nc(NS(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)sc1S(=O)(=O)Cl 2164488335 VWXBPOFJKGEWMO-INIZCTEOSA-N 495.963 2.145 70 10 JEIE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)(C(=O)N2CC(CS(=O)(=O)F)C2)C1 2248468864 SGNDKUXLZWJOLB-UHFFFAOYSA-N 456.536 2.198 70 10 JEIE CC(C)(C)OC(=O)N1CC[C@](COCc2ccccc2)(C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)C1 2271497864 LXAFBJRBDLKLBM-AVRDEDQJSA-N 485.578 2.235 70 10 JEIE COc1ccc(C(=O)N2CCCN(C(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)CC2)cc1OC 216858217 QASVLYQZGUBPFH-OAQYLSRUSA-N 465.550 2.427 70 10 JEIE C[C@H](CNC(=O)c1csc(S(=O)(=O)Cl)c1OCc1ccccc1)S(C)(=O)=O 2156356889 FAUBIAPAIBSZNJ-LLVKDONJSA-N 451.975 2.418 70 10 JEIE O=C(CCCN1C(=O)c2ccc(Br)cc2C1=O)NCCCNC(=O)C(F)(F)F 216852044 HVFWHEBKZIOHJO-UHFFFAOYSA-N 464.238 2.010 70 10 JEIE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1ccc(S(=O)(=O)Cl)cc1 2164485830 CNDQDBWMXZLLJT-GOSISDBHSA-N 474.919 2.380 70 10 JEIE O=C(N[C@@H]1[C@H]2C[C@H]1N(S(=O)(=O)c1ccc(S(=O)(=O)F)cc1)C2)OCc1ccccc1 2162886129 JATNIVKYYQVYRI-BMGDILEWSA-N 454.501 2.033 70 10 JEIE COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 217960731 GDABDDWXUNEWSG-XLIONFOSSA-N 476.526 2.445 70 10 JEIE O=C(c1ccc(I)c(Br)c1)N1CC(CS(=O)(=O)F)C1 1968227167 KZZARZQNWBMWJX-UHFFFAOYSA-N 462.078 2.425 70 10 JEIE CC(C)(C)OC(=O)NC1(CC(=O)N2CC(S(=O)(=O)F)C2)CCN(Cc2ccccc2)CC1 2078999020 ZXUCMVRUJSNKQJ-UHFFFAOYSA-N 469.579 2.446 70 10 JEIE O=C1OC2(CCN(C(=O)CCNS(=O)(=O)c3c(F)cccc3F)CC2)c2ccccc21 217521077 UEMSHCIPEIXHCC-UHFFFAOYSA-N 450.463 2.322 70 10 JEIE O=C(C1CCN(c2cc(-c3ccccc3)ncn2)CC1)N1CCN(c2cc(-n3cncn3)ncn2)CC1 218643780 RLBHCKLPYIKGEI-UHFFFAOYSA-N 496.579 2.080 70 10 JEIE CC(C)(C)OC(=O)N[C@H](Cc1cccc(Br)c1)C(=O)N1CC(S(=O)(=O)F)C1 2237417586 UXHBELWXQVBKIT-CQSZACIVSA-N 465.341 2.395 70 10 JEIE O=C(N[C@H]1[C@H]2C[C@H]1N(S(=O)(=O)c1cccc(S(=O)(=O)F)c1)C2)OCc1ccccc1 2162885597 DPSQYYUGMIECMZ-QGTPRVQTSA-N 454.501 2.033 70 10 JEIE O=C(c1cc(I)ccc1Br)N1CC(CS(=O)(=O)F)C1 1968226333 ALCRHDUTHXIODX-UHFFFAOYSA-N 462.078 2.425 70 10 JEIE Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H]3CC(=O)N([C@H](C)c4ccccc4)C3)CC2)cc1 217285368 YRMZTJHARLCPLQ-CTNGQTDRSA-N 470.595 2.373 70 10 JEIE COc1ccc(C(=O)N2CCCN(C(=O)CCCN3C(=O)c4ccccc4C3=O)CC2)cc1OC 216858652 GTJWYBFEGLAIEK-UHFFFAOYSA-N 479.533 2.455 70 10 JEIE CN([C@H]1CCN(C(=O)OCc2ccccc2)C1)S(=O)(=O)c1ccc(S(=O)(=O)F)cc1 2162876490 FGCQUUODFULCGR-INIZCTEOSA-N 456.517 2.376 70 10 JEIE O=C(N[C@@H]1[C@H]2C[C@@H]1N(S(=O)(=O)c1ccc(S(=O)(=O)F)cc1)C2)OCc1ccccc1 2354606968 JATNIVKYYQVYRI-JCGIZDLHSA-N 454.501 2.033 70 10 JEIE O=C(N[C@@H]1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)F)cc2)C1)OCc1ccccc1 2296040105 GXMCLDARJHAMPV-MRXNPFEDSA-N 456.517 2.424 70 10 JEIE C[C@@H](NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O)c1ccc(S(=O)(=O)Cl)cc1 703998167 WMSVMEOLRPJGFF-CYBMUJFWSA-N 470.956 2.281 70 10 JEIE Cc1c(CN2CCNCC2)cc(N2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1OS(=O)(=O)F 1887510815 ZSATVRQPDZVTTG-UHFFFAOYSA-N 486.610 2.359 70 10 JEIE CN([C@H]1CC[C@@H]1NC(=O)OCc1ccccc1)S(=O)(=O)c1cccc(S(=O)(=O)F)c1 2162885755 FZMDNJXTLQDCHE-ROUUACIJSA-N 456.517 2.423 70 10 JEIE O=C(CCCN1C(=O)c2ccc(Br)cc2C1=O)NC1CCN(C(=O)C(F)(F)F)CC1 216744744 PZCNSVUVTBGPLE-UHFFFAOYSA-N 490.276 2.495 70 10 JEIE CC(C)(C)OC(=O)N[C@]1(C(=O)N2CC[C@H](S(=O)(=O)F)C2)CCN(Cc2ccccc2)C1 2010538476 GQFAIJLRLLPRQQ-LAUBAEHRSA-N 455.552 2.056 70 10 JEIE CCS(=O)(=O)CCNC(=O)c1csc(S(=O)(=O)Cl)c1OCc1ccccc1 2156358917 TUICJEGYWVJGQN-UHFFFAOYSA-N 451.975 2.419 70 10 JEIE CN(CCS(C)(=O)=O)C(=O)c1csc(S(=O)(=O)Cl)c1OCc1ccccc1 2156358368 OZRDOMOVLJACDU-UHFFFAOYSA-N 451.975 2.371 70 10 JEIE CC(C)(C)OC(=O)NCCN(CC(=O)N1CCC(S(=O)(=O)F)CC1)Cc1ccccc1 2010543930 LYRIPBMPYHTLRW-UHFFFAOYSA-N 457.568 2.304 70 10 JEIE CC(C)(C)OC(=O)NC1(C(=O)N2CC(S(=O)(=O)F)C2)CCN(Cc2ccccc2)CC1 2022196224 JCWKHEMAOACVRJ-UHFFFAOYSA-N 455.552 2.056 70 10 JEIE Cc1cc(S(=O)(=O)Cl)cc(C)c1NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O 703991102 RBRAYXAWUFBEFK-UHFFFAOYSA-N 456.929 2.269 70 10 JEIE O=C(c1ccc(Br)cc1I)N1CC(CS(=O)(=O)F)C1 1968226800 GTQSLMUBRQGIGN-UHFFFAOYSA-N 462.078 2.425 70 10 JEIE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NCc1ccc(S(=O)(=O)Cl)s1 2089786088 GLQFNDXYFQEXHX-UHFFFAOYSA-N 476.985 2.171 70 10 JEIE COc1ccc(C(=O)NCCNC(=O)c2ccc3c(c2)C(=O)N(CC(C)C)C3=O)cc1OC 216863324 KCBZGVYBRZWRMB-UHFFFAOYSA-N 453.495 2.116 70 10 JEIE CC(=O)N[C@@](C)(C(=O)Nc1ccc(C)c(S(=O)(=O)F)c1)c1ccc(S(C)(=O)=O)cc1 1131575957 QREJHUFCAXSKOL-LJQANCHMSA-N 456.517 2.047 70 10 JEIE CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CC(CCS(=O)(=O)F)C2)CCN(Cc2ccccc2)C1 2079001893 YTNUOJJBALKYAH-QFIPXVFZSA-N 469.579 2.304 70 10 JEIE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1Br)C(=O)N1CC(S(=O)(=O)F)C1 2237420890 YHPDYDLGVLQUOT-AWEZNQCLSA-N 465.341 2.395 70 10 JEIE COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)CCNS(=O)(=O)c1cccc(C)c1 217906479 AFIYKLYVAZVRSO-VQIMIIECSA-N 464.515 2.024 70 10 JEIE Cc1c(CN2CCN(C(=O)OC(C)(C)C)CC2)cc(S(=O)(=O)F)cc1OS(=O)(=O)F 1887522689 FNWZOXZHMLIABL-UHFFFAOYSA-N 470.516 2.299 70 10 JEIE O=C1O[C@@]2(CCCN(C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)C2)c2ccccc21 217569573 GLNMNDUMQITLET-HSZRJFAPSA-N 456.520 2.009 70 10 JEIE CN([C@H]1CCN(C(=O)OCc2ccccc2)C1)S(=O)(=O)c1cccc(S(=O)(=O)F)c1 2162877868 JLABQYLQTARCRL-INIZCTEOSA-N 456.517 2.376 70 10 JEIE COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)CCCN1C(=O)c2ccccc2C1=O 217942788 SVAUUYOEXKVKAV-HNAYVOBHSA-N 454.454 2.423 70 10 JEIE COc1ccc(C(=O)NC2CCN(C(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)CC2)cc1OC 216888968 OUDYIVVYMZJMBK-HXUWFJFHSA-N 465.550 2.473 70 10 JEIE Cc1c(CN2CCN(C(=O)OC(C)(C)C)CC2)cc(OS(=O)(=O)F)cc1N1CCNCC1 1887522624 ZXLIFBDBLGLSAR-UHFFFAOYSA-N 472.583 2.050 70 10 JEIE