smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CC(=O)O)C3=O)c(N3CCCCC3)nc12 33162111 NSYASAUYLKOOJT-GXDHUFHOSA-N 444.538 2.279 10 10 IECE COc1ccc(N2CCN(CCNc3ccc(S(N)(=O)=O)c4cccnc34)CC2)cc1 736598962 IENLWXWWXPHRLQ-UHFFFAOYSA-N 441.557 2.125 10 10 IECE CCOC(=O)[C@@H]1CN(CC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)CCO1 741247498 IXGIKBZQXVTROS-QFIPXVFZSA-N 428.485 2.312 10 10 IECE COc1ccc(N2CCN(CCNC(=O)N3CCC([C@@H](O)C(F)(F)F)CC3)CC2)cc1 765714216 FEJVIPAMYNAZMX-LJQANCHMSA-N 444.498 2.162 10 10 IECE CCS(=O)(=O)C[C@H](C)N(C)C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 769055598 CULCPTCRZLNPTF-SFHVURJKSA-N 436.622 2.183 10 10 IECE COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NC1CCN(c2ccc(OC)cc2)CC1 784309671 UWSSCFALMHCOBM-UHFFFAOYSA-N 449.485 2.337 10 10 IECE COCCN1CCCN(CC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)CC1=O 787364348 TYYLLKFIGJNNRK-UHFFFAOYSA-N 441.528 2.229 10 10 IECE O=C(CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)N[C@@H]1[C@H]2COC[C@H]21 794225824 HARCPHOJXKHBQO-TVFZVFTMSA-N 439.356 2.411 10 10 IECE COc1ccc(N2CCN(CCNC(=O)/C(=C/c3cccs3)NC(C)=O)CC2)cc1 1142565397 BBANZONVMLRNIZ-PGMHBOJBSA-N 428.558 2.172 10 10 IECE COCCN(CC(=O)OC)C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 1265138680 PDXNWLLNLCAJOJ-KAMYIIQDSA-N 442.584 2.378 10 10 IECE CNC(=O)[C@H]1CN(c2nnc(CC(C)(C)C)n2Cc2ccc3c(c2)CCCN3C)CCO1 1299149400 XBXPTYSOWXSMPR-HXUWFJFHSA-N 440.592 2.249 10 10 IECE CCc1nnc(N2CCCN(c3ccc(OC)cc3)CC2)n1CCC1(O)CCOCC1 1306178768 NEQBPHNJPFUVKF-UHFFFAOYSA-N 429.565 2.497 10 10 IECE C[C@@H]1CN(c2ccc(CNC(=O)CNC3(CC(N)=O)CCCCC3)cc2F)C[C@@H](C)O1 1460923576 FFBQMPMZUXCJRF-IAGOWNOFSA-N 434.556 2.223 10 10 IECE C[C@]1(C2CCN(C(=O)NCc3cc(F)c(N4CCOCC4)c(F)c3)CC2)COC(=O)N1 1478786552 RIGCQPZXAJHMLQ-OAQYLSRUSA-N 438.475 2.222 10 10 IECE CC[C@@H](C)N(C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1O 1496166617 YVLIJGJWXFMSBN-AEFFLSMTSA-N 435.594 2.253 10 10 IECE CCN(CC)c1ccc(Cn2c(-c3cnccn3)nnc2N2CCS(=O)CC2)cc1 1501839075 PJSJRKRVXOPVCA-UHFFFAOYSA-N 425.562 2.198 10 10 IECE CCN(CC)c1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@](C)(C(N)=O)C2)cc1 1515523663 QJOAMAOWPBNPHA-QHCPKHFHSA-N 441.580 2.013 10 10 IECE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(C(C)C)n2Cc2ccc3c(c2)CCCN3C)C1 1516018767 SBJKRFXCCIWQNZ-LJQANCHMSA-N 446.621 2.350 10 10 IECE CNC(=O)C1CCN(c2nnc(C(C)C)n2Cc2ccc(N3CCOCC3)c(F)c2)CC1 1554434154 HPAWOEVEXDFYKR-UHFFFAOYSA-N 444.555 2.388 10 10 IECE C[C@H](NC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@H]1CCCN(C2CCC2)C1 1564540749 JUBARXYKPGSZFE-ICSRJNTNSA-N 448.633 2.374 10 10 IECE COc1ccc(N2C[C@@H](NC(=O)N3CCN(c4ccc(OC)c(F)c4)CC3)CC2=O)cc1 1565048266 NYNCOFYNLBQBHH-INIZCTEOSA-N 442.491 2.480 10 10 IECE CN(C)c1ccc(CN(CC(F)(F)F)C(=O)CNC(=O)CNC(=O)OC(C)(C)C)cc1 1570906692 RQLANDAQEVVQKW-UHFFFAOYSA-N 446.470 2.284 10 10 IECE Cc1cc(C(=O)NCCC2CS(=O)(=O)C2)c(C)n1-c1ccc(Br)cn1 1625305815 VDZFQZKPXAINJS-UHFFFAOYSA-N 426.336 2.416 10 10 IECE COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1cc(S(C)(=O)=O)ncc1Cl 1637247304 MHYFXUUTULDJNO-UHFFFAOYSA-N 447.296 2.313 10 10 IECE O=C(NCc1ccc(N2CCC(O)CC2)cc1)N1CCS(=O)(=O)C2(CCCCC2)C1 1684142127 RKGDSEQKHINFFL-UHFFFAOYSA-N 435.590 2.291 10 10 IECE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccccc2O)n1C[C@]1(OC)CCOC1 1698232498 OGZBNMQQUUIWDP-LQBOVUBWSA-N 432.521 2.150 10 10 IECE COC[C@H](F)Cn1c([C@H]2CCOC2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1730488419 NEXODNMCCQGPKL-ZWKOTPCHSA-N 433.528 2.492 10 10 IECE CCC(=O)N[C@@H]1CCCN(c2nnc(C)n2Cc2ccc(N3CCC(CO)CC3)cc2)C1 1763292161 CIHNFTYPOQBAOJ-OAQYLSRUSA-N 440.592 2.339 10 10 IECE CN(Cc1ccccc1O)c1nnc([C@H]2CCC(=O)N2)n1CCNC(=O)c1cccs1 1768681894 PNOHGFLOUJDCQI-OAHLLOKOSA-N 440.529 2.063 10 10 IECE C[C@@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1C(=O)C(=Cc2cccc(F)c2)SC1=S 2296593701 MGCXBLGANYGANY-SMDDNHRTSA-N 442.559 2.061 10 10 IECE COc1ccc(OC)c(NC=C2C(=O)NC(=O)N(c3cc(OC)ccc3OC)C2=O)c1 2297317931 LHRLBNLWTSBCQM-UHFFFAOYSA-N 427.413 2.300 10 10 IECE CCN(CC)c1ccc(CNC(=O)Cc2cc(F)c(OC)c(S(N)(=O)=O)c2)cc1F 731345816 KEYMKMZSKLZXPO-UHFFFAOYSA-N 441.500 2.326 10 10 IECE CC[C@H](CO)N1CCN([C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)CC1 744419840 SFCIHXRKSKHAGU-IAGOWNOFSA-N 435.524 2.178 10 10 IECE Cc1c(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cccc1S(N)(=O)=O 753965375 RZKXJOYKRKYBIS-OKILXGFUSA-N 435.521 2.325 10 10 IECE CNC(=O)c1cccc(OCC(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)c1 768531850 DTSKBGNTUHSHRA-UHFFFAOYSA-N 436.556 2.273 10 10 IECE COc1ccc(N2CCN(CCNC(=O)C(=O)N(C)[C@@H](C)c3cccs3)CC2)cc1 803746324 AJFBBRCGHQLWPU-KRWDZBQOSA-N 430.574 2.215 10 10 IECE COC(=O)c1ccc(CNC(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)cc1 914828403 PGCMSCNLKORAMQ-UHFFFAOYSA-N 440.544 2.493 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C\C(=O)NC[C@H]3CCN(C(C)(C)C)C3)CC2)cc1 1166484880 VFNQVPGCXKUPNZ-ZBTAVZRMSA-N 428.577 2.137 10 10 IECE COc1ccc(N2CCN(CC(=O)NC[C@H](c3ccccc3)N(C)C)CC2)c(OC)c1 1197105642 UNBCLVJRNMJVMC-JOCHJYFZSA-N 426.561 2.245 10 10 IECE CN(c1nnc(CC2CC2)n1CCCSc1nccs1)[C@@H]1CCS(=O)(=O)C1 1298179432 YZMWTCQSPLRZJS-CQSZACIVSA-N 427.621 2.493 10 10 IECE CN(C)c1ccc([C@@H](CNC(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)N(C)C)cc1 1470439880 YOOSROZURZTXIF-WOJBJXKFSA-N 449.596 2.290 10 10 IECE CN(C)c1ccc(Cn2c(Cc3cccnc3)nnc2N2CCC[C@@H](C(N)=O)C2)cc1F 1503391840 ACDHMVDNRMOFKB-GOSISDBHSA-N 437.523 2.219 10 10 IECE CN(Cc1ccccc1O)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCC1 1503488829 XFGOIBHELPSUOD-KRWDZBQOSA-N 433.578 2.007 10 10 IECE CC(C)(C)Cc1nnc(N2CC[C@@](C)(C(N)=O)C2)n1Cc1ccc(N2CCOCC2)cc1 1508562017 HDFBMAHIHHDFQY-XMMPIXPASA-N 440.592 2.453 10 10 IECE COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1cc(Cl)ccc1O 1583816256 FHKINPXEHFAZFS-UHFFFAOYSA-N 440.905 2.005 10 10 IECE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3cccc(F)c3C)CC2)cc1 1586836216 NQJSZFBSFSUFCS-UHFFFAOYSA-N 435.521 2.025 10 10 IECE CCS(=O)(=O)c1ccccc1CC(=O)N1CCN(c2ccc(OC)cc2OC)CC1 1595996802 LCPWURIYCVSUAE-UHFFFAOYSA-N 432.542 2.389 10 10 IECE Cc1cc(N(C)C)ccc1Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](C(N)=O)C1 1611963982 HMQPWMWHWSIMFY-HXUWFJFHSA-N 433.560 2.388 10 10 IECE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H]1CCCCN1C(=O)c1ccc(O)nn1 1638243920 PQSKPRLOPAGZSX-JXFKEZNVSA-N 425.533 2.299 10 10 IECE CC[C@@H](CNC(=O)/C=C\C(=O)N1CCN(c2ccc(OC)cc2)CC1)C(=O)OC(C)(C)C 1645008632 YCCGHLVRMFAXCH-JYBLJSLWSA-N 445.560 2.384 10 10 IECE CN(C)[C@@H]1CC[C@H]2CN(C(=O)NCc3ccc(N4CCC(C(N)=O)CC4)cc3)C[C@@H]2C1 1687632972 WIPJEAQUWGIRKS-JAXLGGSGSA-N 427.593 2.260 10 10 IECE CCN(CC)c1ccc(Cn2c(C3CC3)nnc2N2C[C@@H](O)[C@H](CC(=O)OC)C2)cc1 1710025685 JREFLYRGANBFHR-UYAOXDASSA-N 427.549 2.410 10 10 IECE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)c3n[nH]c4c3CCCC4)CC2)cc1 1868772930 TXABEHDKGZCJRE-UHFFFAOYSA-N 425.533 2.154 10 10 IECE Cc1c(NC=C2C(=O)NC(=S)N(c3ccccc3)C2=O)c(=O)n(-c2ccccc2)n1C 2296102919 GTXPDVJJPIYSSW-UHFFFAOYSA-N 433.493 2.228 10 10 IECE CC(=O)NC1=NC(=O)C(=Cc2ccc(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)S1 2297551030 XTFIOBGGPAVNCX-UHFFFAOYSA-N 447.450 2.469 10 10 IECE CN(C)c1ccc(CNC(=O)c2nc(Cn3nc(-c4ccc(F)cc4)ccc3=O)no2)cc1 33292502 HNRFSSVXHQONTJ-UHFFFAOYSA-N 448.458 2.477 10 10 IECE CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCCCN2CCC[C@@H](C(N)=O)C2)C1 444132211 PHSCNMPAQQNIJK-LJQANCHMSA-N 439.604 2.111 10 10 IECE CN1CCC(CNC(=O)NCc2ccc(N3CCOCC3)cc2)(N2CCCCC2)CC1 745747350 DWWGIYLUNDUUQI-UHFFFAOYSA-N 429.609 2.273 10 10 IECE CC(C)(C)OC(=O)NC[C@@H]1CCCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1O 769728281 NXSRJUBVWTWUNA-AWEZNQCLSA-N 427.523 2.283 10 10 IECE NC(=O)[C@@H]1CCCN(c2ccc(CNS(=O)(=O)c3ccc4ncsc4c3)cc2)C1 772451327 JDFRBNAFTNNAMR-OAHLLOKOSA-N 430.555 2.477 10 10 IECE CC(=O)NCCc1ccc(S(=O)(=O)NCc2cc(Br)ccc2O)cc1 796190873 LRLDZQPPBVMAKZ-UHFFFAOYSA-N 427.320 2.312 10 10 IECE COc1ccc(N2CCN(c3nnc([C@H]4COCCO4)n3C[C@H]3CCCO3)CC2)cc1F 802691306 OOHCBGSYFQIQSW-YLJYHZDGSA-N 447.511 2.019 10 10 IECE O=C(NCc1ccc(O)c(O)c1)[C@@H]1[C@H]2[C@H]1[C@H]1C=C[C@H]2[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 813488774 FQDJABRAKPVHDM-LSYYFGNCSA-N 444.487 2.193 10 10 IECE CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C1 1136340125 FLNNWHIGBCMTIO-BZSNNMDCSA-N 430.549 2.308 10 10 IECE Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CCC(O)(CN2CCOCC2)CC1 1152143893 OIHCJAGMYXSYLQ-UHFFFAOYSA-N 425.529 2.206 10 10 IECE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cccc(Nc2cnccn2)c1 1165915151 ADJKOYZNGPRLPF-UHFFFAOYSA-N 437.525 2.385 10 10 IECE COC1CCN(c2ccc(CN3CCCS(=O)(=O)C[C@H]3c3cnn(C)c3)cc2)CC1 1176167705 VZCWLYOMEYGTDL-QFIPXVFZSA-N 432.590 2.397 10 10 IECE COc1ccc(N2CCN(C[C@H](O)CN3CC[C@H](C(F)(F)F)O[C@@H](C)C3)CC2)cc1 1197484597 XPUOLEWGBJNUEQ-XKGZKEIXSA-N 431.499 2.220 10 10 IECE Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NCc2c(O)ccc3ccccc23)[C@H](C)O)cc1 1304090404 HAMIXSPBELXJJL-YCRPNKLZSA-N 428.510 2.198 10 10 IECE C[C@@H](Sc1nc(CC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cs1)C(N)=O 1440672862 JFYHEAWWXUQFRL-CQSZACIVSA-N 434.587 2.147 10 10 IECE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N[C@@H]1CCO[C@H]1c1ccccc1 1470754210 RMLRAGFVBDVPRD-RTWAWAEBSA-N 429.542 2.251 10 10 IECE CCN(CC)c1ccc(Cn2c(CC3CC3)nnc2N2CCO[C@@H](CNC(C)=O)C2)cc1 1515528926 RWGKVFSPJNPUKA-QFIPXVFZSA-N 440.592 2.466 10 10 IECE CN(C)c1ccc([C@H](CNC(=O)Cn2nc(C(F)(F)F)c3c2CCOC3)N(C)C)cc1 1539705607 GMEVTGXUHXEOLJ-SFHVURJKSA-N 439.482 2.460 10 10 IECE COc1ccc(N2CCCN(C(=O)[C@]3(C)C[C@@H](O)CN3C(=O)OC(C)(C)C)CC2)cc1 1542171357 IYFJOTKGCVDLEO-JPYJTQIMSA-N 433.549 2.494 10 10 IECE COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CCN1CCN(c2ccccn2)CC1 1546152059 QMZZCZXIRJMAKM-UHFFFAOYSA-N 446.935 2.155 10 10 IECE CCc1nc(CCn2c(C(=O)N3CCCC3)nnc2N(C)Cc2ccccc2O)no1 1546366420 MXEKKLQTIITLLA-UHFFFAOYSA-N 425.493 2.044 10 10 IECE CCc1nnc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)n1CCCSc1nccs1 1546522032 KDQPMXIGBNCRAZ-HNNXBMFYSA-N 436.607 2.307 10 10 IECE CCN(CC)c1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CC[C@@](C)(C(N)=O)C2)cc1 1547447511 YJEXOHMFLNOAPJ-WZONZLPQSA-N 426.565 2.378 10 10 IECE CC(=O)N1Cc2ccc(S(=O)(=O)NC[C@H](c3ccc(N(C)C)cc3)N(C)C)cc2C1 1562000327 APBSFLQJUNJZBG-JOCHJYFZSA-N 430.574 2.196 10 10 IECE COc1ccc(N2CCN(C(=O)[C@H]3CCCN(C(=O)c4ccncc4)C3)CC2)c(OC)c1 1595996191 CBOQYOJANCBGEU-IBGZPJMESA-N 438.528 2.300 10 10 IECE CCOC1CC(O)(CNC(=O)CCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)C1 1626268040 VOPOGYLPDWLWHI-SXGWCWSVSA-N 438.546 2.463 10 10 IECE CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C 1637005039 ZXWXUORPLXQRES-ZWKOTPCHSA-N 431.541 2.312 10 10 IECE COc1cccc(C2(NC(=O)NCc3ccc(N4CCS(=O)(=O)CC4)cc3)CC2)c1 1674270881 BLMXUHUSFROIOJ-UHFFFAOYSA-N 429.542 2.419 10 10 IECE Cc1cc(CN2CCN(C(=O)NCc3cc(F)c(N4CCOCC4)c(F)c3)CC2)on1 1683014062 CMNBHXHKUCIQPN-UHFFFAOYSA-N 435.475 2.125 10 10 IECE CN1CCN(c2ccc(CNC(=O)NCCCNC(=O)/C=C\c3ccccc3)cc2)CC1 1686261910 SODORCNQJAIJKG-RAXLEYEMSA-N 435.572 2.457 10 10 IECE Cc1cc(CN(C)c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(N(C)C)c(F)c2)no1 1692990404 SCMLTPMRVKBJDF-KRWDZBQOSA-N 427.484 2.415 10 10 IECE Cc1cc(N(C)C)ccc1Cn1c(Cc2cccnc2)nnc1N1CC[C@](C)(C(N)=O)C1 1693005341 HBTYZIANXGBYNI-DEOSSOPVSA-N 433.560 2.388 10 10 IECE CCN1CCCN(c2nnc(-c3cnccn3)n2Cc2ccc(N(C)C)c(F)c2)CC1=O 1765477559 KDNCUGRJEJOFSZ-UHFFFAOYSA-N 438.511 2.047 10 10 IECE 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CC(C)(C)n1nnnc1COC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 785410834 AGVGGKOWPOUUFR-UHFFFAOYSA-N 437.503 2.353 10 10 IECE CCCN1C(=O)CC[C@@H](C(=O)N2CCN(c3ccc(OC)cc3)CC2)[C@@H]1c1cncn1C 792800835 HUWRWAWOCMFPEJ-NFBKMPQASA-N 439.560 2.467 10 10 IECE CCOC(=O)CN(Cc1ccccc1O)C(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O 1162539635 JRKUOUIUHHPEOL-OAHLLOKOSA-N 446.525 2.308 10 10 IECE COc1ccc(N2CC[C@H](NC(=O)CN3C(=O)N[C@]4(CCCC(C)(C)C4)C3=O)C2)cc1 1278861830 PAZSQLZECBLGRM-HJPURHCSSA-N 428.533 2.281 10 10 IECE CC(C)(C)Cc1nnc(N2CCNC(=O)CC2)n1Cc1ccc(N2CCOCC2)cc1 1287038386 WHNWEHQUBIRJBB-UHFFFAOYSA-N 426.565 2.078 10 10 IECE CN(Cc1ccccc1O)c1nnc(Cc2ccccn2)n1CCCN1CCC(O)CC1 1298364299 YBWNSEICIPCGHX-UHFFFAOYSA-N 436.560 2.453 10 10 IECE O=C(CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)N1CCOCCN1 1298467222 SNPFDPFZXPJTLG-UKTHLTGXSA-N 442.360 2.014 10 10 IECE COC(=O)[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCCSc2nccs2)C1 1315084369 VRWQSOSOASSGIO-ZDUSSCGKSA-N 438.579 2.055 10 10 IECE COc1ccc(N2CCN(c3nnc([C@H]4CCC(=O)N4)n3C[C@H](C)SC)CC2)cc1F 1315513544 WNZJFKPOLZFCCU-WMLDXEAASA-N 448.568 2.455 10 10 IECE Cc1ccc(C(=O)N2CCN(S(=O)(=O)NC(C)C)CC2)cc1-n1c(C)cc(C=O)c1C 1451228202 HHXPIMHOHGWIIG-UHFFFAOYSA-N 446.573 2.216 10 10 IECE CCN(CC)C(=O)OC[C@H]1CCCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1O 1467818747 WFLVQWLQVNXTIR-OAHLLOKOSA-N 427.523 2.237 10 10 IECE CC(C)c1ncc2c(n1)CCN(C(=O)NCc1ccc(N3CCS(=O)(=O)CC3)cc1)C2 1470752707 JKSYRCYBHJJVDK-UHFFFAOYSA-N 443.573 2.103 10 10 IECE CN(C)c1ccc(Cn2c(Cc3cccnc3)nnc2N2CCC[C@H](C(N)=O)C2)cc1F 1503391844 ACDHMVDNRMOFKB-SFHVURJKSA-N 437.523 2.219 10 10 IECE CC(=O)NC1CCN(c2nnc(-c3cnccn3)n2CCCSc2nccs2)CC1 1508338826 WTFBTLBWQHEUQB-UHFFFAOYSA-N 444.590 2.479 10 10 IECE Cc1ncc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)Cc2ccccc2O)s1 1511590207 QONLFPGWPONSHO-GFCCVEGCSA-N 436.563 2.044 10 10 IECE O=C1/C(=C\c2ccc(F)cc2)SC(=S)N1CCC(=O)N1CCO[C@@H]2COCC[C@@H]21 1538408399 NKUQZEIUQJCEFA-BESUYIBZSA-N 436.530 2.433 10 10 IECE COc1ccc(N2CCN(CCNC(=O)CNC(=O)Nc3cccc(Cl)c3)CC2)cc1 1542431614 ATYNHCSZGIUMLI-UHFFFAOYSA-N 445.951 2.409 10 10 IECE COC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(N(C)C)c(F)c2)CC1 1554537078 RIXNEIWITCGTHM-QGZVFWFLSA-N 431.512 2.425 10 10 IECE COCC(=O)N1CCN(c2nnc(CC(C)C)n2Cc2ccc(N(C)C)cc2C)CC1 1555202965 LEXFSBOCPSOHGP-UHFFFAOYSA-N 428.581 2.194 10 10 IECE CCc1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1Cc1ccc(N(C)C)cc1C 1613973209 FHIIHIXCDNUOFU-UHFFFAOYSA-N 434.610 2.029 10 10 IECE COc1ccc(N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC2CC2)cc1 1645726751 JVMMQEMHKFYPPP-UHFFFAOYSA-N 443.569 2.445 10 10 IECE Cc1cc(C(=O)N2CCN3CCOC[C@@]3(CO)C2)c(C)n1-c1ccc(Br)cc1 1652616976 FBBRAJBIAQUGRJ-NRFANRHFSA-N 448.361 2.376 10 10 IECE CNC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)C1 1686854939 KWVLJHUNKWFZTR-AUUYWEPGSA-N 428.455 2.232 10 10 IECE CN(C)c1ccc([C@@H](CNC(=O)N2CCO[C@H](c3noc(C4CC4)n3)C2)N(C)C)cc1 1687807707 VXQIRMCBJXDIOT-MOPGFXCFSA-N 428.537 2.399 10 10 IECE CCOCc1nnc(N2CCN(C[C@H]3CCCO3)CC2)n1Cc1ccc(N(C)C)c(F)c1 1766420608 ZDOUIGGKTBWVMM-LJQANCHMSA-N 446.571 2.369 10 10 IECE CCCn1cc(C(=O)N[C@@H](CC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)ccc1=O 1861985228 BRFUWBMLEAPTTH-NRFANRHFSA-N 440.544 2.124 10 10 IECE O=C(O)CNC(=O)CCCN1C(=O)C(=Cc2ccccc2OC(F)F)SC1=S 2314937084 KRIJCRWWAHAXHK-UHFFFAOYSA-N 430.454 2.470 10 10 IECE COc1ccc(N2CCN(C(=O)Cc3csc(NC(=O)c4ccno4)n3)CC2)cc1 585159834 BGFDIFUZKRLMJM-UHFFFAOYSA-N 427.486 2.283 10 10 IECE C[C@H]1CN(c2ccc(CNC(=O)N[C@H]3CCN(C4CCOCC4)C3=O)cc2F)C[C@@H](C)O1 747496130 RGBLSVNWQHGQIY-YRNRMSPPSA-N 448.539 2.018 10 10 IECE CCOC(=O)[C@@H](Cc1cccc(Cl)c1)NC(=O)c1cc(NS(C)(=O)=O)ccc1O 799035077 RWHUTTSILVYCQS-MRXNPFEDSA-N 440.905 2.321 10 10 IECE NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)CCc3nc(-c4ccncc4)no3)cc2)C1 917834993 VZYUEFNSTZUMTH-SFHVURJKSA-N 434.500 2.082 10 10 IECE Nc1ncc2c(n1)CN(C(=O)CCN1C(=O)/C(=C/c3ccc(F)cc3)SC1=S)CC2 1166950034 LMYBCGWBJDMMMA-SXGWCWSVSA-N 443.529 2.374 10 10 IECE CC(=O)NC[C@@H]1CN(c2nnc(C3CCC3)n2Cc2ccc(N(C)C)c(F)c2)CCO1 1286946056 YONBZMKIYDNPKR-GOSISDBHSA-N 430.528 2.140 10 10 IECE Cc1cc(C(=O)N[C@@H](CO)Cc2cnn(C)c2)c(C)n1-c1ccc(Br)cn1 1299615724 ZTXZDXHXXVDMIT-MRXNPFEDSA-N 432.322 2.319 10 10 IECE CS(=O)(=O)c1ccc(/C=C\C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)o1 1436623590 FLADRKKRXJTDPK-RQOWECAXSA-N 426.441 2.128 10 10 IECE CN1CCN(c2ccccc2C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)CC1 1436624503 OPSLXHCBMIHSDI-UHFFFAOYSA-N 430.499 2.483 10 10 IECE COc1ccc(N2CC[C@@H](NC(=O)c3cc(NS(C)(=O)=O)c(OC)c(OC)c3)C2)cc1 1453219916 TUBCGQYIKUPBIS-OAHLLOKOSA-N 449.529 2.093 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CCC[C@H](c4ncccn4)C3)CC2)cc1 1455870525 XJQOIWKFOSJMCD-VJIACCKLSA-N 435.528 2.096 10 10 IECE C[C@@H](C[C@H](O)c1ccccc1)NC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1470752255 HIXBJISGUBWJLQ-UWJYYQICSA-N 431.558 2.233 10 10 IECE CN(C)c1ccc([C@@H](CNC(=O)C2=NOC3(C2)CN(C(=O)OC(C)(C)C)C3)N(C)C)cc1 1472281265 UBVRYUHLGRWUBR-LJQANCHMSA-N 445.564 2.237 10 10 IECE CCN(CC1CC1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N(C)C)c(F)c1 1502076042 PQKRESLWDCAESV-CQSZACIVSA-N 438.573 2.378 10 10 IECE CCN1C(=O)CO[C@H](C(=O)NCc2ccc(N3CCC(C)CC3)cc2)[C@H]1c1nccn1C 1585544809 KQGQNICZBCUIAP-VXKWHMMOSA-N 439.560 2.261 10 10 IECE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc2c(c1)N[C@H](C)CC(=O)N2 1624659040 OMIXGMACJNLXCO-PXAZEXFGSA-N 427.457 2.145 10 10 IECE CCOc1ccc(S(=O)(=O)NCC(=O)NCc2cc(Cl)ccc2O)cc1OCC 1639965639 NKSGRKCEIMMFBC-UHFFFAOYSA-N 442.921 2.438 10 10 IECE Cc1cc(CCNC(=O)COc2ccc(S(N)(=O)=O)cc2)c(C)n1-c1ccccc1 1642090847 GPUQHJHCWIJGBE-UHFFFAOYSA-N 427.526 2.479 10 10 IECE COC[C@@H](NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O)[C@H]1CCCOC1 1652075629 GTKSIACWWMFQPS-XJKSGUPXSA-N 440.543 2.426 10 10 IECE COC(=O)c1cn([C@H]2CCCN(C(=O)N[C@@H](C)Cc3ccc(N(C)C)cc3C)C2)nn1 1682100426 BHVCNYKZBDDRMX-LPHOPBHVSA-N 428.537 2.417 10 10 IECE CN(Cc1ccccc1O)c1nnc(Cc2ccncc2)n1C[C@@H]1CCCS(=O)(=O)C1 1696700952 RSZMYUJNIKMOQP-SFHVURJKSA-N 441.557 2.431 10 10 IECE Cc1cc(N(C)C)ccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CCOC1 1707304655 BLLXIKIUOHKMNQ-IEBWSBKVSA-N 447.605 2.076 10 10 IECE CCOC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(N(C)C)c(F)c2)CC1 1710363092 QAVNGFYOPZJELQ-QGZVFWFLSA-N 446.527 2.314 10 10 IECE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(N)=O 2294118747 WYACTEYVRNJGBE-UHFFFAOYSA-N 443.843 2.269 10 10 IECE COc1ccc(N2CCN(CCNS(=O)(=O)c3ccc4ncsc4c3)CC2)cc1 772664157 XXSAFXQGEZAVGI-UHFFFAOYSA-N 432.571 2.405 10 10 IECE CN(C)c1ccc([C@@H](CNC(=O)N[C@@H]2CS(=O)(=O)Cc3ccccc32)N(C)C)cc1 1313052587 XVDMBGSVYJAHQY-NHCUHLMSSA-N 430.574 2.324 10 10 IECE CCN(Cc1cc(Br)ccc1O)C(=O)C(C)(C)NC(=O)C(C)(C)NC(C)=O 1545508993 VTTVLQSCGAVLTE-UHFFFAOYSA-N 442.354 2.313 10 10 IECE COc1ccc(N2CC[C@@H](NC(=O)NC[C@@H](CO)Cc3cc(OC)cc(OC)c3)C2)cc1 1636854002 QAWHABBJAUJAJS-RBUKOAKNSA-N 443.544 2.442 10 10 IECE CN(CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21)c1ccc(-c2nccs2)cc1 1643360031 KIQXKPQLKFEJFA-UHFFFAOYSA-N 428.539 2.483 10 10 IECE COc1cc(N2CCN(C(=O)NCCNc3ccc(C)cn3)CC2)cc(OC)c1OC 1676283064 HOVOGCIGYIJPKD-UHFFFAOYSA-N 429.521 2.360 10 10 IECE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cnn(C)c3)n2CCCSc2nccs2)C1 1769161637 COMPJDCGQLXKQC-IBGZPJMESA-N 446.606 2.280 10 10 IECE C[C@H](c1cc([N+](=O)[O-])ccc1O)n1ncc(S(C)(=O)=O)c1I 2070248059 OPKSUOCSQKUCNT-SSDOTTSWSA-N 437.215 2.114 10 10 IECE CCOc1ccc(S(=O)(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)cc1F 56966108 YFHDNUQQUTXMEH-UHFFFAOYSA-N 437.537 2.334 10 10 IECE CN(C)c1ncc(CNC(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)n1C 768735559 WCCRPORNFZLXSV-UHFFFAOYSA-N 425.581 2.018 10 10 IECE O=C(NCc1ccc(N2CCN(CC3CC3)CC2)cc1)NC[C@@H](CO)Cc1ccco1 769036267 VDMKCHSRRLCTLU-NRFANRHFSA-N 426.561 2.462 10 10 IECE CN1CCN(c2ccc(CNC[C@H]3CN(C(=O)c4ccccc4)[C@H]4CCN3C4)cc2)CC1 771869787 ZQIULKAMMDPUHR-DQEYMECFSA-N 433.600 2.127 10 10 IECE CN1CCCc2cc(CN3C(=O)N[C@](C)(c4ccc(S(C)(=O)=O)cc4)C3=O)ccc21 804151798 YXVXCXGKBZCSGZ-JOCHJYFZSA-N 427.526 2.440 10 10 IECE 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COc1ccc(N2CCN(C[C@H](O)CN3CCN(c4cccc(F)c4)CC3)CC2)cc1 1620507830 ZBVXVZSSZTWBAR-QHCPKHFHSA-N 428.552 2.139 10 10 IECE CN(C)c1ccc(CNC(=O)Cn2nc(Br)c(Br)n2)cc1F 1627045888 HMTHTRNZRTVEMW-UHFFFAOYSA-N 435.095 2.325 10 10 IECE COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)Cn1cccc(C(F)(F)F)c1=O 1631531054 FSUXIOCGOFPWAI-UHFFFAOYSA-N 432.782 2.428 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C\C(=O)NCc3c(C)cc(CO)cc3C)CC2)cc1 1645839686 ZOCNTESNOYAESI-HJWRWDBZSA-N 437.540 2.326 10 10 IECE Cn1nc(Br)c2c(=O)n(CC(=O)NCc3c(O)ccc4ccccc34)cnc21 1647791866 WYZICQUEACMJGD-UHFFFAOYSA-N 442.273 2.068 10 10 IECE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N[C@H]1CCc2ccccc2OC1 1681803424 ONWCENNZOOIUQX-IBGZPJMESA-N 429.542 2.114 10 10 IECE Cn1nccc1[C@@H]1C[C@H](NC(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)CCO1 1682412525 JUBVZYRGFIXMGA-BEFAXECRSA-N 435.475 2.254 10 10 IECE CCCn1ccnc1CCCN(C)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1682583208 YEHRHBCBPZBZGU-UHFFFAOYSA-N 447.605 2.302 10 10 IECE Cc1cc(N(C)C)ccc1Cn1c(CC(C)(C)C)nnc1N1CCN(S(C)(=O)=O)CC1 1751433160 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2.003 10 10 IECE COc1cc2c(cc1O)CCN(CC(=O)NCc1ccc(N3CCOCC3)c(F)c1)C2 1197837206 MMRYKMBICVKACV-UHFFFAOYSA-N 429.492 2.051 10 10 IECE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N[C@H]1COc2cc(F)cc(F)c21 1226109979 DLSVHYNJJWXXTE-KRWDZBQOSA-N 437.468 2.133 10 10 IECE COc1ccc(N2CC[C@H](NC(=O)c3c(I)n[nH]c3C)C2)cc1 1453222402 WFKITTBNCUPDCF-NSHDSACASA-N 426.258 2.340 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N[C@@H]3CCOCC34CCCC4)CC2)cc1 1457243344 IPTVHZBJKONGMO-MHNQQFQPSA-N 427.545 2.366 10 10 IECE C[C@@H](C[C@@H](O)c1ccccc1)NC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1470752244 HIXBJISGUBWJLQ-LAUBAEHRSA-N 431.558 2.233 10 10 IECE COCCN1CCN(c2nnc(C(C)(C)C)n2Cc2ccc3c(c2)CCCN3C)CC1=O 1519193939 RWVKUJGDELRWCT-UHFFFAOYSA-N 440.592 2.301 10 10 IECE COc1ccc(N2CC[C@@H](NC(=O)N3CCC[C@@](CO)(NC(=O)OC(C)(C)C)C3)C2)cc1 1565055499 DOLIQZKMQKPIRB-UZUQRXQVSA-N 448.564 2.335 10 10 IECE Cn1cc(-c2nnc(N3CCC[C@H](CC(N)=O)C3)n2CCCSc2nccs2)cn1 1618392455 KSUQKPYCONHZPS-CQSZACIVSA-N 446.606 2.409 10 10 IECE COc1ccc(N2CCN(C[C@H](O)CN3C[C@@H](C)O[C@H](CC(F)(F)F)C3)CC2)cc1 1620439579 QETZPZQSIOJEEP-IMFGXOCKSA-N 431.499 2.220 10 10 IECE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1Cl 1630180240 MGGUOWONXJQNHN-MGPUTAFESA-N 444.963 2.436 10 10 IECE CS(=O)(=O)N1CCC(N(CC(F)F)C(=O)c2cc3cc(O)c(O)cc3s2)CC1 1635008634 UHBCXIUMVNQNCQ-UHFFFAOYSA-N 434.486 2.444 10 10 IECE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N1CCOC[C@H]1c1ccc(F)cc1 1636797126 XSQAYYMDSDODBF-NRFANRHFSA-N 447.532 2.344 10 10 IECE CCOC(=O)c1cc2n(n1)C[C@H](C)N(C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C2 1638918718 YZJHBSRGGCKBQC-KKSFZXQISA-N 442.564 2.342 10 10 IECE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NC[C@@H](O)CS(=O)(=O)c1cccs1 1683421328 MDWMAKQAIRONBC-MAUKXSAKSA-N 439.603 2.188 10 10 IECE CCC(=O)N[C@@H]1CCCN(c2nnc(CC)n2Cc2ccc(N3CCOCC3)cc2)C1 1743416020 DEKLAZBLMBODQQ-LJQANCHMSA-N 426.565 2.220 10 10 IECE COc1ccc(N2CCCN(c3nnc([C@H]4CCC(=O)N4)n3CCCCCO)CC2)cc1 1748847184 HTKAEJOPOPKSNE-HXUWFJFHSA-N 442.564 2.117 10 10 IECE CCCNC(=O)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCNC(=O)CC1 1764560764 CNUSORIXIVQDRF-UHFFFAOYSA-N 449.559 2.205 10 10 IECE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccnc2)n1Cc1ccc(N2CCOCC2)cc1 1769131014 DJCPEKXEIXJHFQ-SFHVURJKSA-N 449.559 2.043 10 10 IECE CCCn1nc(CC)c2c1OC(N)=C(C(=O)NC[C@@H]1CCCO1)[C@H]2c1ccc(O)c(O)c1 1864020561 DLIWNPBWSYGRJZ-KSSFIOAISA-N 442.516 2.257 10 10 IECE COc1ccc(N2CCN(CCNC(=O)[C@H]3CCCC[C@@H]3C(=O)N3CCCC3)CC2)cc1 732755795 FODRXHBOWIUURO-GOTSBHOMSA-N 442.604 2.362 10 10 IECE O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NCc1c(O)ccc2c1CCCC2 743719598 KDXZLTUOQBDBBU-UHFFFAOYSA-N 433.486 2.164 10 10 IECE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 769063301 UZGVRFTYHIAEJA-QZTJIDSGSA-N 436.622 2.182 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CC[C@@H](Cc4ccncc4)C3)CC2)cc1 782839862 NLJMRVKFDKZXIL-NGXITPROSA-N 434.540 2.386 10 10 IECE COc1ccc(N2CCN(CCNC(=O)NC[C@@H](O)CCc3ccccc3)CC2)cc1 784250761 CNLYSEQZJSCINB-QFIPXVFZSA-N 426.561 2.110 10 10 IECE O=C1COC[C@@H](C[C@H]2CN(S(=O)(=O)c3ccc(Cl)c4nonc34)c3ccccc32)N1 814394101 QQKPRWIMSHBMRX-NWDGAFQWSA-N 448.888 2.074 10 10 IECE O=C(CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)N1CCc2nnc(O)cc2C1 1154784463 WUDSVUGCBORKTB-SXGWCWSVSA-N 444.513 2.498 10 10 IECE CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@H]1c2c[nH]nc2CN1C(=O)OC(C)(C)C 1299699474 RQJQQUNMLPSQJS-LJQANCHMSA-N 444.488 2.499 10 10 IECE Cc1nnc(N(C)Cc2ccc(N3CCOCC3)cc2)n1CCN1CCN(C)C(C)(C)C1 1304793748 ARMRDMYVOOLUMO-UHFFFAOYSA-N 441.624 2.086 10 10 IECE CCc1nnc(N2CCC(S(=O)(=O)CC)CC2)n1Cc1ccc(N2CCOCC2)cc1 1306150873 OXWZJGUZGHGGPR-UHFFFAOYSA-N 447.605 2.129 10 10 IECE CCNS(=O)(=O)c1ccc(F)c(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)c1 1453980799 GZELDFIBAYWIKD-UHFFFAOYSA-N 435.521 2.015 10 10 IECE CC(=O)N1CCN(CCNCc2cc(Br)cc(Br)c2O)CC1 1461040931 FKFRHRBFXJWMHI-UHFFFAOYSA-N 435.160 2.171 10 10 IECE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnn2c(C(F)F)cc(C)nc12 1466674443 VPQPKRVJQQLCBO-ZDUSSCGKSA-N 434.399 2.291 10 10 IECE COc1ccc(N(C)CCN(C)C(=O)CN2C(=O)N[C@@](C)(c3ccc(C)cc3)C2=O)cc1 1469804687 HLGWPLSLFMKILL-DEOSSOPVSA-N 438.528 2.365 10 10 IECE COc1ccc(N2CCCN(C(=O)NCC3(S(=O)(=O)NC(C)(C)C)CC3)CC2)cc1 1471198948 CNYAALIXECHRKA-UHFFFAOYSA-N 438.594 2.167 10 10 IECE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cc(NS(C)(=O)=O)ccc1O)C2 1472310706 KOSLOTCSGUVFRD-CFVMTHIKSA-N 439.534 2.282 10 10 IECE CCOC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(N(C)C)cc2C)CC1 1516052250 ZFCKTCVFEBWQMN-LJQANCHMSA-N 442.564 2.483 10 10 IECE CSC[C@H](C)C(=O)N1CCC(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)CC1 1533685079 UTDNFVIZGDNQBO-SFHVURJKSA-N 432.634 2.292 10 10 IECE O=C1NCCC2(CN(C(=O)CCN3C(=O)/C(=C\c4ccc(F)cc4)SC3=S)C2)O1 1558627524 BYKFRNJJVGRCGA-NTEUORMPSA-N 435.502 2.128 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NCCN3c4ccccc4C[C@H]3C)CC2)cc1 1583950350 HCFYCPKCBHNGGP-YVNCXZRQSA-N 448.567 2.467 10 10 IECE C[C@H](C(=O)NCc1ccc(N2CCOCC2)c(F)c1)[C@@H](O)CN(C)C(=O)OC(C)(C)C 1596694806 IGMFXFXTLGONCD-KXBFYZLASA-N 439.528 2.142 10 10 IECE C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 1598211889 ICVZSEMHTYYBFL-OZMFCKRTSA-N 444.625 2.279 10 10 IECE COc1ccc(N2CCN(C[C@@H](O)CN3CCc4nc(C(C)(C)C)ncc4C3)CC2)cc1 1659532872 JQDXPEGGSKOZRT-OAQYLSRUSA-N 439.604 2.324 10 10 IECE COc1ccc(N2CC[C@H](NC(=O)N3CCN(C4CCN(C(C)C)CC4)CC3)C2)cc1 1687024050 YFEVMHHHIXFFJO-FQEVSTJZSA-N 429.609 2.474 10 10 IECE Cc1nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n1Cc1ccc(N2CCSCC2)cc1 1707853916 SRFDNHJULQXMPO-CVEARBPZSA-N 437.635 2.446 10 10 IECE CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(N2CCOCC2)c(F)c1 1728268567 BRBVQXUHTNAFBX-UHFFFAOYSA-N 439.495 2.406 10 10 IECE COC(=O)C[C@@H]1CN(c2nnc(C3CCC3)n2Cc2ccc(N(C)C)c(F)c2)C[C@H]1O 1729785713 KUTXVUGCQXLIEC-VQIMIIECSA-N 431.512 2.159 10 10 IECE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(C(C)C)n2Cc2ccc(N(C)C)cc2C)C1 1746533236 CRZZQOAUSKYGBZ-LJQANCHMSA-N 434.610 2.342 10 10 IECE CN(Cc1ccccc1O)c1nnc(C(=O)N2CCCC2)n1CCCOC[C@@H]1CCCO1 1747752144 VPCRQEZRMXWWAP-IBGZPJMESA-N 443.548 2.442 10 10 IECE CC(C)NC(=O)c1nnc(N(C)Cc2ccc(N3CCCC3)cc2)n1C[C@@H]1COCCO1 1750914083 BWVWZXCUDRRDTM-HXUWFJFHSA-N 442.564 2.068 10 10 IECE CC(C)Cc1nnc(N2CCN3C(=O)N(C)C[C@@H]3C2)n1Cc1ccc(N(C)C)c(F)c1 1761041152 HDXVIAHMLKELHP-QGZVFWFLSA-N 429.544 2.286 10 10 IECE COc1ccc(N2CCN(c3cc(SCC(=O)NC[C@H]4CCCO4)ncn3)CC2)cc1 65133794 JBWZPBHJGAOLEV-LJQANCHMSA-N 443.573 2.199 10 10 IECE C[C@H]1CN(Cc2ccc(C(=O)NCc3ccc(N4CCNC(=O)C4)cc3)cc2)C[C@H](C)O1 106263731 RFGGRZJAJPRFQC-OALUTQOASA-N 436.556 2.162 10 10 IECE O=C(O)CCOc1cccc(/C=C2\SC(=S)N(NC(=O)c3cccnc3)C2=O)c1 210422489 IQTYQEIHELCKOE-GDNBJRDFSA-N 429.479 2.481 10 10 IECE COCCCN(C(=O)/C=C/c1ccc(C)nc1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 754007169 ITUUQSUQIZYDGJ-VAWYXSNFSA-N 449.511 2.366 10 10 IECE O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 776050040 ZWRQLBNOJDAFOE-BJKOFHAPSA-N 445.567 2.461 10 10 IECE COc1ccc(N2CCN(CCCNC(=O)[C@H]3CCc4nnc(C5CC5)n4C3)CC2)cc1 814256439 PGYNIVDALFHQTO-IBGZPJMESA-N 438.576 2.055 10 10 IECE CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCCS(=O)(=O)C(F)(F)F)C1 1147001365 TYOAXLXLNHWQFU-UHFFFAOYSA-N 431.480 2.459 10 10 IECE C[C@H](NC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccccc1[N+](=O)[O-] 1252851010 KZQJOMLOFSKNLY-HNNXBMFYSA-N 432.502 2.390 10 10 IECE CN1CCN(c2ccc(CNC(=O)[C@H]3CC(=O)N(c4ccc(F)c(F)c4)C3)cc2)CC1 1288334657 MKUZJODKHUMGHU-KRWDZBQOSA-N 428.483 2.386 10 10 IECE CN(Cc1ccccc1O)c1nnc(Cc2cccnc2)n1CC1(S(C)(=O)=O)CC1 1298363741 KRWGBDXBBBSRNB-UHFFFAOYSA-N 427.530 2.183 10 10 IECE CS(C)(=O)=NS(=O)(=O)CCNC(=O)N(Cc1ccccc1O)C1CCCCC1 1313310905 MAMQMYHLFKOJJA-UHFFFAOYSA-N 431.580 2.294 10 10 IECE NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3ccc(Cn4ccccc4=O)o3)cc2)C1 1356433581 OIFZFVOIWZTRFO-SFHVURJKSA-N 434.496 2.121 10 10 IECE COc1ccc(N2CCN(C(=O)N[C@H]3CCCN(CC(F)(F)F)C3=O)CC2)c(OC)c1 1478253942 WDRRWVBRLOJAOW-HNNXBMFYSA-N 444.454 2.089 10 10 IECE COCCn1cc(N2C[C@@H](C(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)CC2=O)cn1 1532946745 QLFNRAYWZWWPAX-SFHVURJKSA-N 425.533 2.140 10 10 IECE 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COc1ccc(N2CC[C@H](CNC(=O)NC[C@@H](O)CN3CCc4ccccc4C3)C2)cc1 1673823282 NYHAHUVSLKCYGI-AUSIDOKSSA-N 438.572 2.240 10 10 IECE CN1CCN(c2ccc(CNC(=O)N3CCCN(C(=O)c4ccccc4)CC3)cc2)CC1 1684874220 OIKITUZRFYEGGA-UHFFFAOYSA-N 435.572 2.496 10 10 IECE O=C1CN(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)CN1CCC(F)(F)F 1686725693 RPMSYJMMESUHHE-UHFFFAOYSA-N 436.381 2.065 10 10 IECE CC(C)C(=O)NCCN(C)c1nnc(C(C)C)n1Cc1ccc(N2CCOCC2)cc1 1741288740 GKZUSOJGNGHLSQ-UHFFFAOYSA-N 428.581 2.495 10 10 IECE CCN(CC)c1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(CO)CC2)cc1 1766611893 VOIVQFJNSQFGLB-HXUWFJFHSA-N 426.565 2.332 10 10 IECE COCCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1769725191 KXTRRCJXCHHDOK-UHFFFAOYSA-N 429.500 2.189 10 10 IECE NC(=O)C[C@@H]1CCCN(c2nnc(-c3cnccn3)n2CCCSc2nccs2)C1 1771547107 JFJAHLLMJADZTL-AWEZNQCLSA-N 444.590 2.466 10 10 IECE O=C(O)COc1ccc(C=C2SC(=S)N(NC(=O)c3ccccc3O)C2=O)cc1 2314927099 ZJSVBPARPYPYMQ-UHFFFAOYSA-N 430.463 2.402 10 10 IECE COc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)ccc1OCC(=O)NCCO 33723473 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439.424 2.019 10 10 IECE CCOC(=O)C1CCN(C(=O)CN(C)c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])CC1 726594405 LDPWCFASRKJJCV-VURMDHGXSA-N 433.461 2.019 10 10 IECE CNC(=O)c1cncc(/C=C\C(=O)N2C[C@@H](C(=O)N3CCCCC3)Oc3ccccc32)c1 731965283 WGKYZIMBKOVZGS-YUQDSPFASA-N 434.496 2.261 10 10 IECE COc1ccc(OCC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c(C(N)=O)c1 748028912 DJPUSSMSUBZWMK-GJZGRUSLSA-N 445.491 2.242 10 10 IECE CCOC(=O)CNC(=O)C1CCN(Cc2c(O)c(C(=O)OC)cc3ccccc23)CC1 771862121 JWDRJMYDJWOHIY-UHFFFAOYSA-N 428.485 2.223 10 10 IECE CC(=O)N1CCc2ccc(S(=O)(=O)Nc3cccc(N4CCOCC4)c3)cc2CC1 790054499 PGSFEVCVUDUYRR-UHFFFAOYSA-N 429.542 2.271 10 10 IECE COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2ccc(S(=O)(=O)NCC(C)C)cc2)c1 814384584 RRYFDIJODKPVNQ-CQSZACIVSA-N 442.559 2.375 10 10 IECE O=C(CCS(=O)(=O)c1ccc(F)cc1)NCc1cc(F)c(N2CCOCC2)c(F)c1 1129549959 ZMUFALQIGLIMTB-UHFFFAOYSA-N 442.459 2.421 10 10 IECE CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)NCc1c(O)ccc2ccccc12 1157050724 JQZTZQYRCHVMMK-KRWDZBQOSA-N 436.530 2.490 10 10 IECE CN1CCN(c2ccc(CNC(=O)[C@@H]3CC(=O)N(c4c(F)cccc4F)C3)cc2)CC1 1288330258 LTSOPQAGXDQSGY-QGZVFWFLSA-N 428.483 2.386 10 10 IECE CCS(=O)(=O)NCCn1c(Cc2ccsc2)nnc1N(C)Cc1ccccc1O 1297786147 XQIXITUZGSLEIB-UHFFFAOYSA-N 435.575 2.212 10 10 IECE CS(=O)(=O)N=S1(=O)CCN(C(=O)c2ccccc2SCc2ccco2)CC1 1298471115 KMUNMOMIBNFVTA-UHFFFAOYSA-N 428.557 2.455 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N[C@@H](CO)c3cc(F)ccc3F)CC2)cc1 1472366482 MPQOGGCLPNHHDS-SHBDEGQCSA-N 445.466 2.028 10 10 IECE CN(Cc1ccccc1O)c1nnc([C@@H]2CCOC2)n1CCCCN1CCC[C@@H]1CO 1503488226 RQVPJPYRXGSWPP-WOJBJXKFSA-N 429.565 2.361 10 10 IECE O=S1(=O)CCN(c2nnc([C@H]3CCCO3)n2CCCSc2nccs2)CC1 1505363082 KPNFPNUCKMMVBM-CYBMUJFWSA-N 429.593 2.003 10 10 IECE O=C(CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)N1CC(CN2CCOCC2)C1 1569599583 DRGOBVNHBVQBSZ-WQRHYEAKSA-N 449.573 2.208 10 10 IECE CC[S@](=O)CCn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1ccccc1O 1617441592 CHFGQONUPRYJKC-PMERELPUSA-N 447.586 2.380 10 10 IECE O=C(NCc1ccc(O)cc1O)c1cc(S(=O)(=O)NC2CC2)ccc1Br 1639440888 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CC(C)(C)c1noc(CCC(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)n1 919124336 ZEHOBYLRDJGLPW-UHFFFAOYSA-N 448.495 2.135 10 10 IECE O=C(O)/C=C\c1ccc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c([N+](=O)[O-])c1 920960073 CIIDSYRLCKBEGU-CLFYSBASSA-N 431.470 2.345 10 10 IECE CC(C)(C)OC(=O)NC[C@H](O)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 1137081703 JRKHRKYXCJCNHV-CJNGLKHVSA-N 429.464 2.259 10 10 IECE CCOC(=O)[C@H](NC[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1)c1ccccc1 1170949709 UKCUODCYHUVNTN-FYYLOGMGSA-N 427.545 2.072 10 10 IECE NC(=O)C1CCN(c2ccc(CNC(=O)N3CC[C@H](C(F)(F)F)[C@@H](CO)C3)cc2)CC1 1255510633 WVGCDFNZPOPAED-AEFFLSMTSA-N 442.482 2.091 10 10 IECE COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)Cn1ccc(Br)cc1=O 1446816400 NREJOFDHRYZXPX-UHFFFAOYSA-N 443.681 2.172 10 10 IECE COC(=O)[C@@]1(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)CC[C@@H](C)c2ccccc21 1457217264 FZMHFVSSQYJNLO-LRTDBIEQSA-N 432.498 2.459 10 10 IECE C[C@@H]1CCCN(c2ccc(CNC(=O)N3CC[C@@H](CS(N)(=O)=O)C3)cc2Cl)C1 1469958795 GUHSGZNRJJOCAR-GDBMZVCRSA-N 428.986 2.396 10 10 IECE 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COc1ccc(N2CC[C@H](NC(=O)NCCOc3ccc(NS(C)(=O)=O)cc3)C2)cc1 1687023104 MUCLFLYMAAEONF-KRWDZBQOSA-N 448.545 2.024 10 10 IECE COc1ccc(N2CCCN(c3nnc(C)n3C[C@@H](C)CN3CCOCC3)CC2)cc1 1730181791 QDMXFCXHUZBRFJ-IBGZPJMESA-N 428.581 2.280 10 10 IECE Cc1cc(N(C)C)ccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)[C@@H](C)C1 1742139268 MKQHVNGRESQJAO-BBWFWOEESA-N 434.610 2.403 10 10 IECE COCC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)Cc2ccccc2O)CCC1 1749404655 GGHCJWOEDRFNOW-HNNXBMFYSA-N 437.566 2.047 10 10 IECE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)c3ccc(OC)c(OC)c3)CC2)cc1 1861928115 JVNXFEYOWBRMIM-INIZCTEOSA-N 427.501 2.180 10 10 IECE CN(C)c1ccc([C@@H](NC(=O)CCN2C(=O)Cc3ccccc3C2=O)c2nccn2C)cc1 1866217525 OCDUNGVEEYEAST-HSZRJFAPSA-N 445.523 2.307 10 10 IECE O=C1/C(=C\NCCN2CCOCC2)C(C(F)(F)F)=NN1c1nc2ccccc2s1 101477938 VPYXGWPEJSDSCV-QXMHVHEDSA-N 425.436 2.367 10 10 IECE Cc1cc(OCC(=O)N2CCN(C(=O)c3cc(O)c(O)c(O)c3)CC2)cc(C)c1Cl 169824309 NXVTXYFIVCXLBX-UHFFFAOYSA-N 434.876 2.437 10 10 IECE COc1ccc(N2CCN(CCNC(=O)c3cnnn3-c3ccccc3Cl)CC2)cc1 748727155 BEMYCQJQMSPGHV-UHFFFAOYSA-N 440.935 2.481 10 10 IECE COc1ccc(N2CCN(C(=O)C[S@@](=O)Cc3nc(C4CCCC4)no3)CC2)cc1 751579029 ZSEAVVXLDMLKBH-PMERELPUSA-N 432.546 2.333 10 10 IECE CN(C)c1ccc([C@H](CNC(=O)c2cc(C(N)=O)cn2C)NC(=O)OC(C)(C)C)cc1 755413447 ONOGDSUNEIQJBC-KRWDZBQOSA-N 429.521 2.186 10 10 IECE CC(C)(C)OC(=O)[C@H]1CCCN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 766950067 DMOXXURIJAORAN-SFHVURJKSA-N 435.540 2.332 10 10 IECE COc1ccc(N2CCN(C(=O)COC(=O)[C@@H]3CCCN3c3nccs3)CC2)cc1 776275503 SQIOPTZTDYOKCW-SFHVURJKSA-N 430.530 2.013 10 10 IECE COc1ccc(CNS(=O)(=O)c2ccccc2S(=O)(=O)C(F)(F)F)c(O)c1 805085190 CZXJEBNAIKXXHA-UHFFFAOYSA-N 425.406 2.173 10 10 IECE COc1ccc(N2CCN(C(=O)c3cccn(CC(=O)OC(C)(C)C)c3=O)CC2)cc1 1127190645 RYHXFMFKEFVWSU-UHFFFAOYSA-N 427.501 2.161 10 10 IECE COc1ccc(N2CC[C@H](CNC(=O)c3ccc(S(=O)(=O)NC4CC4)cc3)C2)cc1 1142798785 VKQIUDBTNMTQCL-MRXNPFEDSA-N 429.542 2.392 10 10 IECE Cc1cc(CNC(=O)[C@H](NS(=O)(=O)c2cccs2)[C@@H](C)O)c(C)n1-c1ccccc1 1454623116 GNBNKKMPIQDJOW-OXQOHEQNSA-N 447.582 2.500 10 10 IECE O=C(CCc1nc(-c2ccccn2)no1)NCc1cc(F)c(N2CCOCC2)c(F)c1 1460741788 QGGWKSNBYLSXTF-UHFFFAOYSA-N 429.427 2.495 10 10 IECE C[C@@H](C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1)c1ccc(S(C)(=O)=O)cc1 1462801550 AEEBNKMWHLNGKW-MRXNPFEDSA-N 443.569 2.212 10 10 IECE COc1ccc(N2CCN(c3nnc([C@@H]4CCOC4)n3CCC(C)(C)O)CC2)cc1F 1518312309 WEGXAHFEVQCFKI-MRXNPFEDSA-N 433.528 2.417 10 10 IECE COc1ccc([C@]2(C(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)C[C@H](O)C2)cc1 1543377872 LOOMSHPNBMUPND-HMHJJOSWSA-N 437.540 2.106 10 10 IECE COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)cc1 1557063361 MGYHEYPNIXYPQR-IRXDYDNUSA-N 433.574 2.484 10 10 IECE COc1ccc(N(C)CCN(C)C(=O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)cc1 1616534783 QPCJRHVTBKVGBY-QHCPKHFHSA-N 442.491 2.196 10 10 IECE CCC[C@H](C(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1)C(C)C 1616824609 RSSAVAKPFRGZNZ-FQEVSTJZSA-N 425.595 2.336 10 10 IECE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccccc2O)n1C[C@H](C)N1CCOCC1 1620087737 ITWTVYUJNCWPRN-CUWPLCDZSA-N 445.564 2.065 10 10 IECE COC(=O)[C@@H](C[C@@H]1CCCO1)NCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1620568877 SNQDFABXCJOPNF-MGPUTAFESA-N 436.464 2.101 10 10 IECE COc1cccc(CNC(=O)C2([S@](C)=O)CCN(C(=O)OC(C)(C)C)CC2)c1O 1636061345 NGMGMVCMLSUBOT-LJAQVGFWSA-N 426.535 2.165 10 10 IECE COC(=O)N1CCC([C@H](C)NC(=O)N2CCN(c3ccc(OC)cc3OC)CC2)CC1 1680276021 DKTIRBFPODYZQA-INIZCTEOSA-N 434.537 2.402 10 10 IECE CC[C@@H](C)c1nnc(N(C)CCC(=O)NC)n1Cc1ccc(N2CCOCC2)c(F)c1 1694080905 QOMYPWUFOWXOHZ-MRXNPFEDSA-N 432.544 2.388 10 10 IECE CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1695353642 UFABTOQWVLQQMI-GOSISDBHSA-N 433.578 2.063 10 10 IECE CCc1nn(C)c(OC)c1Cn1c([C@H]2CCOC2)nnc1N(C)Cc1ccccc1O 1727483854 UBVJRCNDCLKGDE-INIZCTEOSA-N 426.521 2.477 10 10 IECE COc1ccc(N2CCN(C(=O)CCN=c3nc(O)cc(-c4ccccc4)[nH]3)CC2)cc1 1858539510 ATNIHDCLHPMCPZ-UHFFFAOYSA-N 433.512 2.431 10 10 IECE CCCCOC(=O)CN1C(=O)/C(=C2\SC(=S)N(CCC(=O)O)C2=O)c2ccccc21 1860826552 HHKLPDRJIFWMNR-MSUUIHNZSA-N 448.522 2.423 10 10 IECE CCCn1nc(CC)c2c1OC(N)=C(C(=O)NC[C@H]1CCCO1)[C@H]2c1ccc(O)c(O)c1 1864020558 DLIWNPBWSYGRJZ-KDOFPFPSSA-N 442.516 2.257 10 10 IECE O=C(O)C[C@H](C(=O)O)N1C(=O)C(=Cc2cc(Br)ccc2O)SC1=S 2314842183 DRHSXPRDOBCLMC-MRVPVSSYSA-N 432.273 2.284 10 10 IECE CCCN1C(=O)/C(=C\c2c(N3CCN(C)CC3)nc3c(C)cccn3c2=O)SC1=S 34721120 VNJCHQXHMQRRCA-DTQAZKPQSA-N 443.598 2.366 10 10 IECE COc1ccc(N2CCN(CCNC(=O)NCC[C@@H]3COc4ccccc4O3)CC2)cc1 765714076 BEBNDXARQBHPPO-OAQYLSRUSA-N 440.544 2.347 10 10 IECE Cc1cccc(-n2c(C)cc(C(=O)CN3CCN(CC(=O)N4CCOCC4)CC3)c2C)c1 917054348 CYGMSWUOFYLVTK-UHFFFAOYSA-N 438.572 2.062 10 10 IECE NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N3CCC(CN4CCCC4)CC3)cc2)C1 918118261 XGWSQFVDXXHLHS-OAQYLSRUSA-N 427.593 2.406 10 10 IECE CCO[C@H]1C[C@](CO)(NC(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)C1(C)C 1229782377 VJGQWYNOTXYRAW-LAUBAEHRSA-N 427.492 2.167 10 10 IECE CCO[C@H]1C[C@@](CO)(NC(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)C1(C)C 1229782384 VJGQWYNOTXYRAW-UWJYYQICSA-N 427.492 2.167 10 10 IECE C[C@@H](CC(N)=O)N(C)c1nnc(CC(C)(C)C)n1Cc1ccc(N2CCOCC2)cc1 1288549354 OWOBMFIMWVADML-KRWDZBQOSA-N 428.581 2.452 10 10 IECE CCOc1ccc(N2CCN(C(=O)[C@@]3(C)C[C@@H](O)CN3C(=O)OC(C)(C)C)CC2)cc1 1295275084 FIRCEBADWYMBAL-WZONZLPQSA-N 433.549 2.494 10 10 IECE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C 1296054059 FDJLGELIMYGIBU-INIZCTEOSA-N 426.469 2.256 10 10 IECE COC[C@@H]1CC[C@H]([C@@H]2COCCN2C(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)O1 1312903099 UYLRTBOOBNZSFK-KDXIVRHGSA-N 433.549 2.126 10 10 IECE O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(CNC(=O)C(F)(F)F)o1 1444874839 XKIBEYHMIAOTMR-UHFFFAOYSA-N 443.397 2.488 10 10 IECE Cc1ccc2c(=O)n(CC(=O)NCc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)nnc2c1 1459141733 DVNDWFDFGYWMBB-HZPDHXFCSA-N 439.491 2.169 10 10 IECE Cn1cnc(CCCNC(=O)CCN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)n1 1461157936 HKVCTXDLQLFQGR-RVDMUPIBSA-N 433.534 2.295 10 10 IECE CCOCc1nnc(N2CCC(N3CCNC3=O)CC2)n1Cc1ccc(N(C)C)cc1C 1503061013 MFEOROXCLZPBAP-UHFFFAOYSA-N 441.580 2.231 10 10 IECE CN(Cc1ccccc1O)c1nnc(-c2cnn(C)c2)n1CC(C)(C)N1CCOCC1 1554175405 WXCDSOGZUBAGRT-UHFFFAOYSA-N 425.537 2.131 10 10 IECE COc1ccc(N2CC[C@H](CNC(=O)Cc3csc(S[C@H](C)C(N)=O)n3)C2)cc1 1584444335 MBNTYGYLCBQOFI-ZIAGYGMSSA-N 434.587 2.303 10 10 IECE COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)C[S@@](=O)c1cccc(OC)c1 1637247043 APPUTBXFOYCQOG-MUUNZHRXSA-N 425.890 2.364 10 10 IECE Cc1cc(C(=O)N2C[C@]3(C)C(=O)NC(=O)[C@@]3(C)C2)c(C)n1-c1ccc(Br)cn1 1648638546 PFMSSXJBFHOAPN-WOJBJXKFSA-N 445.317 2.376 10 10 IECE CCc1nnc(N2CCC[C@@H](CNC(C)=O)C2)n1Cc1ccc(N2CCOCC2)cc1 1709115084 SLVABPATVBJKJI-FQEVSTJZSA-N 426.565 2.078 10 10 IECE CC1=NN(c2ccccc2)C(=O)C1=CNc1cccc(S(=O)(=O)N2CCOCC2)c1 2040470117 FMLIYKQHKJUHQU-UHFFFAOYSA-N 426.498 2.426 10 10 IECE O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)N[C@@H](Cc3ccccc3)C(=O)O)ccc21 41091534 USZOOZDEZQRLQA-FQEVSTJZSA-N 435.457 2.436 10 10 IECE O=C(Cn1cc(NC(=O)NCc2ccc(N3CCOCC3)cc2)cn1)NC1CCCC1 747546747 JQCSPDOQDOKMLZ-UHFFFAOYSA-N 426.521 2.100 10 10 IECE COc1ccc(N2CCN(C[C@H](O)CN3CCc4c(cccc4[N+](=O)[O-])C3)CC2)cc1 754074040 FOKSDOYJWVRUMJ-FQEVSTJZSA-N 426.517 2.145 10 10 IECE O=C1C[C@@H]([C@@H]2CCCCN2CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)CN1 764463330 DUYOSXUQNMSRJS-VFNWGFHPSA-N 431.492 2.391 10 10 IECE COc1nc(O)cc(C(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)n1 770520422 XNDPXHJYDGSGRS-UHFFFAOYSA-N 425.397 2.367 10 10 IECE Cc1cc(C(=O)CN(C)[C@]2(CO)CC[C@H](C)C2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 778430860 UPHNIVZPWJIIAB-OYHNWAKOSA-N 433.574 2.407 10 10 IECE Cc1cc2c(N3CCN(C(=O)c4cc(NS(C)(=O)=O)ccc4O)CC3)ncnc2s1 781257246 QYMDSTKIPCJVGT-UHFFFAOYSA-N 447.542 2.039 10 10 IECE COc1ccc(N2CCN(C(=O)CN[C@@H](CO)c3cccc(Br)c3)CC2)cc1 782081831 BANYQDSAZKTMKK-FQEVSTJZSA-N 448.361 2.430 10 10 IECE C[C@@H]1OCC[C@@H]1S(=O)(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 795248690 JJISHLNKLKBHOS-QGTPRVQTSA-N 427.567 2.415 10 10 IECE COC(=O)/C=C/c1ccc(N2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)c([N+](=O)[O-])c1 931390788 ZKTZGVPIZQBJFI-JORFTBQQSA-N 444.532 2.408 10 10 IECE C[C@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 1136025383 IDJPBAXLKVGLII-HNAYVOBHSA-N 437.587 2.035 10 10 IECE CC(C)(C)OC(=O)NCCN1CCC[C@H](C(=O)NCc2ccc3cccnc3c2O)C1=O 1162612090 BWUQTMIBDRHABC-QGZVFWFLSA-N 442.516 2.320 10 10 IECE Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)NCc1cc(F)c(N3CCOCC3)c(F)c1)C2=O 1275224530 MUKWZSAOLBPATA-CQSZACIVSA-N 443.450 2.411 10 10 IECE O=C(NC[C@@H]1CS(=O)(=O)c2ccccc2O1)N(Cc1ccccc1O)C[C@H]1CCCO1 1312900099 QZANSIYYGJZAKA-QZTJIDSGSA-N 446.525 2.318 10 10 IECE COc1ccc(N2CCN(C(=O)N[C@@H]3CCO[C@@H](c4nccn4C)C3)CC2)c(OC)c1 1478804257 UIAJWBIJOGNEJR-OXQOHEQNSA-N 429.521 2.189 10 10 IECE COc1ccc(N2CC[C@H](CNC(=O)c3cccc(N4CCCS4(=O)=O)c3)C2)cc1 1526247033 RSLYMWBADIHUHO-QGZVFWFLSA-N 429.542 2.491 10 10 IECE COCCNC(=O)[C@@H](C)OC(=O)c1ccc(NC(=O)c2ccc(C3=S=CC=C3)o2)cc1 1544312670 ZEGNEHNEJMAJJR-CQSZACIVSA-N 442.493 2.466 10 10 IECE CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1cc(C)n(-c2cccc(Br)c2)c1C 1557431506 ASYQDEHLBMDIRO-IAGOWNOFSA-N 441.347 2.398 10 10 IECE COc1ccccc1-c1nnc(CC(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)o1 1596355390 QDLVBNAIROREFD-UHFFFAOYSA-N 449.511 2.306 10 10 IECE COc1ccc2c(c1)c1c(n2CC(=O)N2CCC(N(C)S(C)(=O)=O)CC2)CCCC1 1597888082 NGKMQWJESICNGU-UHFFFAOYSA-N 433.574 2.411 10 10 IECE CCOC(=O)c1nc(=NCc2ccc(N3CCC(O)CC3)cc2)c(Br)c[nH]1 1612646390 VTZIYRRSRFOZGP-UHFFFAOYSA-N 435.322 2.411 10 10 IECE CC1=CC(NC(=O)c2ccccc2Cl)=S=C1C(=O)Nc1nc(O)c2cnn(C)c2n1 1623485661 DJIJQJZDZOFPFF-UHFFFAOYSA-N 442.888 2.086 10 10 IECE COC(=O)c1ccc2c(c1)CCN2C(=O)/C=C/C(=O)N1CCN(c2ccc(OC)cc2)CC1 1639601955 YBVDAWUDJRIXHY-MDZDMXLPSA-N 449.507 2.276 10 10 IECE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1 1682100864 GEPMCCBHRVCLRZ-QZTJIDSGSA-N 436.622 2.495 10 10 IECE CC[C@](C)(O)Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1693907075 LLUIMYIIUXERSH-QHCPKHFHSA-N 444.580 2.050 10 10 IECE C[C@@H](CC(N)=O)N(C)c1nnc(Cc2ccccn2)n1Cc1ccc2c(c1)CCCN2C 1723791988 QXAXKCDDVXZCPI-KRWDZBQOSA-N 433.560 2.395 10 10 IECE CN(Cc1ccccc1O)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCCS(=O)(=O)C1 1747750804 YGGYGQLKOMTOST-FUHWJXTLSA-N 434.562 2.339 10 10 IECE CC(C)NC(=O)CN(C)c1nnc([C@H]2CCCOC2)n1Cc1ccc(N(C)C)c(F)c1 1761254167 WGLOVZYMVDWKII-KRWDZBQOSA-N 432.544 2.386 10 10 IECE Cc1cc(N(C)C)ccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CC(F)(F)F 1761698122 RPGRRJBMYKEYEK-CYBMUJFWSA-N 448.515 2.310 10 10 IECE COc1ccc(N2CCN(c3nnc(C)n3CC3(O)CCN(C(C)C)CC3)CC2)cc1F 1770258546 OOTYCWLSEHUSBK-UHFFFAOYSA-N 446.571 2.296 10 10 IECE O=C(CN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S)NN1CCOCC1 33413956 JDSQCGOJTKJYNB-UKTHLTGXSA-N 442.360 2.014 10 10 IECE COc1ccc(N2CCN(CCCNC(=O)N[C@@H](C)Cc3c(C)nn(C)c3C)CC2)cc1 743657570 VXFLVKYFIMRPER-SFHVURJKSA-N 442.608 2.488 10 10 IECE COc1ccc(N2CCN(CC(=O)Nc3cc(S(C)(=O)=O)ccc3F)CC2)cc1F 750093638 KLNILIVMGSVILC-UHFFFAOYSA-N 439.484 2.138 10 10 IECE 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COc1ccc([C@H]2CCCN2C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)nc1 1682595834 QXHUYAPZKSJGGG-OAQYLSRUSA-N 444.557 2.372 10 10 IECE NC(=O)C1CCN(c2ccc(CNC(=O)N3CCCN(CC(F)(F)F)CC3)cc2)CC1 1685243808 BRHAWRDAPMRVPN-UHFFFAOYSA-N 441.498 2.168 10 10 IECE CCO[C@]1(c2nnc(N(C)[C@H]3CCOC3)n2Cc2ccc(N(C)C)c(F)c2)CCOC1 1710421178 HQWSEHLSWQSWMF-HTAPYJJXSA-N 433.528 2.409 10 10 IECE CCOCc1nnc(N2CC[C@@H](NC(=O)NC3CC3)C2)n1Cc1ccc(N(C)C)cc1C 1729027892 YQQGIHJZQFBILA-LJQANCHMSA-N 441.580 2.278 10 10 IECE CC(=O)N1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(N(C)C)c(F)c2)[C@H](C)C1 1749858144 HDWONYVJMRSKBG-QAPCUYQASA-N 430.528 2.092 10 10 IECE Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(CCNC(=O)c3cccnc3)cc2)cc1 1859005385 CFLNUFGIAPLMLZ-UHFFFAOYSA-N 440.481 2.114 10 10 IECE CSc1ccc(C=C2C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)cc1 2296063141 QOROKRAQOYHGRT-UHFFFAOYSA-N 429.527 2.277 10 10 IECE C[C@@H](C(=O)NCCCCCC(=O)O)N1C(=O)/C(=C/c2ccc(O)cc2O)SC1=S 15048164 SVOOVWQPHZFLGT-GPILYODUSA-N 438.527 2.449 10 10 IECE 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COCCO[C@H](C)c1nnc(N2CC[C@@H](OC)C2)n1Cc1ccc(N2CCOCC2)cc1 1302117707 LSBYYVMHRMFBFB-WIYYLYMNSA-N 445.564 2.112 10 10 IECE NC(=O)C1CCN(c2ccc(CNC(=O)[C@H]3CCN(c4ccc(F)cc4)C3=O)cc2)CC1 1303721317 XFLRRYXYKZAUDK-OAQYLSRUSA-N 438.503 2.197 10 10 IECE C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)CN[C@H](C)c3ccccc3O)cc2)C[C@H](C)O1 1460640166 TZUFNPCYJMWWPB-YESZJQIVSA-N 447.557 2.479 10 10 IECE C[C@H]1CN(c2ccc(CNC(=O)CN3CCC(Cn4cnnc4)CC3)cc2F)C[C@@H](C)O1 1473617004 CTDDVRMXGMEECM-HDICACEKSA-N 444.555 2.059 10 10 IECE O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@@H](C1CCOCC1)C1(CO)CCC1 1479030005 BWJJSFKPMOZSEI-QFIPXVFZSA-N 431.577 2.405 10 10 IECE COc1cc(N2CCN(C[C@H](O)c3cc(Br)no3)CC2)cc(OC)c1OC 1559733008 ZGUNGYNMYXWGDX-ZDUSSCGKSA-N 442.310 2.319 10 10 IECE COc1ccc(N2CCN(CCNc3cnc(I)nc3)CC2)cc1 1611886755 YNHYZYHBPWXLJG-UHFFFAOYSA-N 439.301 2.324 10 10 IECE CN(Cc1ccccc1O)c1nnc([C@H]2CCOC2)n1CC1(S(C)(=O)=O)CCCC1 1617940397 NZIZHCYSSRODRE-KRWDZBQOSA-N 434.562 2.481 10 10 IECE 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COC[C@@H](Cn1c(CC2CC2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1)OC 1749344344 JKFHFJBYRNBGLN-GOSISDBHSA-N 433.528 2.366 10 10 IECE CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](c1ccc(N(C)C)cc1)c1nccn1C 1866118293 LGSAGGQSCGRMDD-VXKWHMMOSA-N 435.528 2.145 10 10 IECE Cc1cc(C(=O)CN(C)[C@@H]2CCN(C)[C@H](C)C2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 741790661 KZXCIDZBGFYUTI-DNVCBOLYSA-N 432.590 2.339 10 10 IECE Cc1cc(C(=O)NS(=O)(=O)c2ccc(Cl)cn2)ccc1NC(=O)C1=S=CC=C1 759339476 YMEFAWHFUBFPLY-UHFFFAOYSA-N 435.914 2.378 10 10 IECE COc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2cc(NS(C)(=O)=O)ccc2O)cc1 769690368 IPGUGHDUZUKBGP-QGZVFWFLSA-N 433.486 2.016 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C\C(=O)NCc3cc(O)nc4ccccc34)CC2)cc1 778287780 BARYGXLMSVMTLR-KHPPLWFESA-N 446.507 2.470 10 10 IECE Cc1cc(C(=O)[C@H](C)OC(=O)C[C@@H]2NC(=O)NC2=O)c(C)n1-c1ccc(OC(F)F)cc1 779103185 DIKXZBCDTAYZJC-LRDDRELGSA-N 449.410 2.408 10 10 IECE COc1ccc(N2CCN(CCNC(=O)N[C@H]3CCc4cnn(C(C)C)c4C3)CC2)cc1 790264528 XKDWVZHSVWPQOP-FQEVSTJZSA-N 440.592 2.451 10 10 IECE Cc1cc(NC(=O)NCc2cc(Br)ccc2O)n([C@H]2CCS(=O)(=O)C2)n1 806170302 QCEUZUKXOLPCSB-ZDUSSCGKSA-N 443.323 2.341 10 10 IECE CC(C)(C)OC(=O)N1CC[C@H](N2CCN(c3cc4c(cc3[N+](=O)[O-])OCC(=O)N4)CC2)C1 808121204 CINHGKKRHSPORO-AWEZNQCLSA-N 447.492 2.057 10 10 IECE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC2CCC2)n1Cc1ccc(N(C)C)c(F)c1 1303815550 JJNBCEYLXVOPJQ-CQSZACIVSA-N 438.573 2.378 10 10 IECE CC[C@](C)(O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1305285316 CZQVZPRWDSUTDY-QFIPXVFZSA-N 448.543 2.052 10 10 IECE CN(CCOc1ccc(F)cc1)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1478945144 NJLAILKJFPGNMB-UHFFFAOYSA-N 435.521 2.281 10 10 IECE C[C@@H]1C[C@@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccccc2O)CCO1 1512027044 BDMRVJQCHZUOFD-SOLBZPMBSA-N 434.562 2.337 10 10 IECE CCOCc1nnc(N2CC[C@H](C(N)=O)C2)n1Cc1ccc(N2CCC(C)CC2)cc1 1516503598 PCHHMJODGDGAPY-IBGZPJMESA-N 426.565 2.411 10 10 IECE O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)c1cc(F)cc(N2CCOCC2)c1 1528048909 HPPDOIIQCHUUPK-UHFFFAOYSA-N 433.505 2.149 10 10 IECE COC(=O)c1cc(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)cc([N+](=O)[O-])c1 1535345886 QWGPNXJTIKSZSC-UHFFFAOYSA-N 435.383 2.426 10 10 IECE O=C(CCC(=O)c1c(F)cccc1F)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1584064474 RYZRUHOYLXRPJB-UHFFFAOYSA-N 436.480 2.479 10 10 IECE CC(C)NC(=O)c1nnc(N(C)C[C@@H]2CCOC2)n1Cc1ccc2c(c1)CCCN2C 1608268273 MNJAHPFQPCARRT-SFHVURJKSA-N 426.565 2.320 10 10 IECE Cc1cc(N(C)C)ccc1Cn1c(Cc2ccccn2)nnc1N1CC[C@](C)(C(N)=O)C1 1611964059 KQNVCEWQIMNKHO-DEOSSOPVSA-N 433.560 2.388 10 10 IECE CCN1CCN([C@@H](C)Cn2c(C)nnc2N(C)Cc2ccc(N3CCOCC3)cc2)CC1 1615839623 WVBCQNIFXKTSGB-FQEVSTJZSA-N 441.624 2.086 10 10 IECE C[C@@H]1CCCN(c2ccc(CNC(=O)[C@H]3CCCN(S(N)(=O)=O)C3)cc2Cl)C1 1639532897 AZMLMAHLKLOCKR-ZBFHGGJFSA-N 428.986 2.108 10 10 IECE CN1CCN(CC2(C)CCN(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N(C)C)CC2)CC1 1687807695 VUWHBVCRXSIBPK-HSZRJFAPSA-N 444.668 2.414 10 10 IECE CC(=O)NCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@@H](C(N)=O)C1 1690968478 ZUIZLWHWWCSFJG-LJQANCHMSA-N 449.559 2.190 10 10 IECE COC(=O)N1CCN(c2nnc(C)n2Cc2ccc(N3CCC(CO)CC3)cc2)C[C@@H]1C 1711469628 HEOOMGKLCFMJLP-KRWDZBQOSA-N 442.564 2.120 10 10 IECE CN1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(N3CCOCC3)c(F)c2)CC1=O 1748062426 LYOAPTUPGDKOOI-UHFFFAOYSA-N 444.555 2.169 10 10 IECE CC(=O)N1CCC[C@@H](Cn2c(C)nnc2N(C)Cc2ccc(N3CCOCC3)cc2)C1 1760589138 DKPOVIYHYDGYJY-OAQYLSRUSA-N 426.565 2.318 10 10 IECE CO[C@@H]1CCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccccc1O 1770578484 HMGALPFIDOINIK-QGPMSJSTSA-N 437.566 2.045 10 10 IECE Nc1ccc(-n2nnc(C(=O)Nc3ccc(N4CCN(c5ccccc5)CC4)nc3)n2)cc1 1857878461 CNDQWMGOYWOKPG-UHFFFAOYSA-N 441.499 2.218 10 10 IECE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)c3cc(-c4cccnc4)on3)CC2)cc1 1868982157 YEIJBGZRYMSORC-INIZCTEOSA-N 435.484 2.212 10 10 IECE O=C(NCCNC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O)c1ccccc1 748027515 VXLXMHTZCQGEGQ-UHFFFAOYSA-N 445.522 2.414 10 10 IECE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)Nc1ncn(C2CCCCC2)n1 758165100 ZVSLAHPJFUCTIW-UHFFFAOYSA-N 432.550 2.340 10 10 IECE C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)NCCCSc2nccs2)CC1 759590536 LESHRBGHEOTPPS-OAHLLOKOSA-N 425.624 2.400 10 10 IECE CC[C@H]1CN(C(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)C[C@@]2(CCOC2)O1 792794293 ZAELWRYVHXFNBF-XUZZJYLKSA-N 446.592 2.187 10 10 IECE CC(C)(C)OC(=O)NC/C=C\CNC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 812009663 IVLVDNUDEGFANP-PYTPGESOSA-N 445.564 2.268 10 10 IECE COc1ccc(S(=O)(=O)N2CCN(Cc3cc4c(cc3O)CCC4)CC2)cc1[N+](=O)[O-] 915831891 QDZPXCKFLVFRER-UHFFFAOYSA-N 447.513 2.304 10 10 IECE CC(C)CCN(C(=O)/C=C\c1cnccn1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 918142476 JFWBZNUZLBRWHC-HJWRWDBZSA-N 434.500 2.462 10 10 IECE CN1CC[C@@](Cc2ccccc2)(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1=O 1136984121 IRBWVOGILNEBOU-RUZDIDTESA-N 439.531 2.494 10 10 IECE C[C@@H](NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S)c1nnc(O)n1C 1143927938 MSRCORSNNPPGKU-WJEYQPDNSA-N 437.572 2.441 10 10 IECE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1c(O)ncc(Br)c1C 1296054057 FCWQLPYMHAEEQG-LBPRGKRZSA-N 439.262 2.174 10 10 IECE CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(N(C)C)c(F)c2)C[C@H]1C 1296154072 AYMDXHAQDVAOJN-CRAIPNDOSA-N 429.544 2.013 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C\C(=O)NC[C@H](Cc3ccccc3)OC)CC2)cc1 1298172515 UTFQUNDBOZHRCL-FRHQNKJESA-N 437.540 2.274 10 10 IECE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1OCCC1(C)C 1303810870 MLEFJKWWFZFZJG-YOEHRIQHSA-N 437.566 2.045 10 10 IECE COc1ccc(N2CCN(C(=O)N[C@@H]3CCO[C@H]3c3ccc(O)nc3)CC2)c(OC)c1 1313142047 VEVBSCOJHYOXGH-UTKZUKDTSA-N 428.489 2.166 10 10 IECE CN1C[C@@H](C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)N(C(=O)OC(C)(C)C)CC1=O 1353242701 YQBDWVAONJVQPU-IBGZPJMESA-N 430.549 2.321 10 10 IECE COC[C@@]1(C(=O)OC)CCCN1CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1473643125 OQUMXYBUMBXICU-XMMPIXPASA-N 436.464 2.055 10 10 IECE CC(=O)NC[C@@H]1CN(c2nnc(CC3CC3)n2CCCSc2nccs2)CCO1 1508385185 XXKUTARDJZGLEI-MRXNPFEDSA-N 436.607 2.211 10 10 IECE COCC[C@@](C)(O)CNC(=O)CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S 1544644304 FOALJVRNSUWRPJ-FERCGXDMSA-N 426.535 2.321 10 10 IECE C[C@@H](C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)n1cnc2c(N)ncnc21 1566356397 DBPCJIPFKQNQES-SWLSCSKDSA-N 429.912 2.109 10 10 IECE COc1ccc(N2CC[C@@H](CNC(=O)N3CCN4C(=O)N(CC(C)C)C[C@H]4C3)C2)cc1 1636353671 GPWHXVFBZFPZLC-AZUAARDMSA-N 429.565 2.309 10 10 IECE C[C@H](NC[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1)c1ccc(N2CCOCC2)cc1 1658066530 ITURNVURSXYNCI-FXAWDEMLSA-N 439.622 2.175 10 10 IECE C[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)NCc1ccc(N2CCN(C)CC2)cc1 1675579920 DCMHDUDVTQPOGU-YJBOKZPZSA-N 441.498 2.179 10 10 IECE CCN(CC)[C@@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1O 1710014334 YGJJJEQFLIUOQI-WMZOPIPTSA-N 435.594 2.253 10 10 IECE Cc1cc(N(C)C)ccc1Cn1c([C@H]2CCOC2)nnc1N1CCC(S(C)(=O)=O)CC1 1742141456 HDVKZJWCVGVRBP-SFHVURJKSA-N 447.605 2.218 10 10 IECE CC[C@@H](C)c1nnc(N2C[C@@H](O)[C@H](CC(=O)OC)C2)n1Cc1ccc(N(C)C)c(F)c1 1743809824 RKEFSTRTBNJQJG-IDHHARJASA-N 433.528 2.405 10 10 IECE CCO[C@@]1(c2nnc(N3CC[C@H](OC)C3)n2Cc2ccc(N(C)C)c(F)c2)CCOC1 1746742112 BXOYYDFPMQMPKR-JTSKRJEESA-N 433.528 2.409 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COc1ccc(N2CCN(CCNC(=O)Nc3cccc([C@H]4CNC(=O)C4)c3)CC2)cc1 772464674 RXJOQSPVNLYVQG-LJQANCHMSA-N 437.544 2.242 10 10 IECE O=C(NCc1ccc(N2CCC(CO)CC2)cc1)NCc1cccc(N2CCOCC2)n1 776118262 OHGLDSRRMSSSCZ-UHFFFAOYSA-N 439.560 2.126 10 10 IECE Cc1cc(=O)n2nc(COC(=O)c3ccc4c(c3N)C(=O)c3ccccc3C4=O)sc2n1 913223673 CHVAATLIKZTEAH-UHFFFAOYSA-N 446.444 2.174 10 10 IECE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3cc(C)ccc3F)CC2)cc1 1278549328 RXFPUOYRMXWJNX-UHFFFAOYSA-N 435.521 2.025 10 10 IECE CCC1(Cn2cc(C(=O)NCc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)nn2)COC1 1291756930 WLUMODAYAWJNMD-HZPDHXFCSA-N 431.512 2.387 10 10 IECE COCCO[C@@H](C)c1nnc(N2CCC[C@@H](C(N)=O)C2)n1Cc1ccc(N(C)C)cc1C 1504973284 JHEPHULLAVCGJM-PKOBYXMFSA-N 444.580 2.127 10 10 IECE C[C@H](Cc1cnn(C)c1)C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 1527974147 RCXMEMMQYCBWRV-QGZVFWFLSA-N 437.523 2.171 10 10 IECE COc1ccc(N(C)CCN(C)C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1 1531375416 XTILVVUEGYPQJV-KRWDZBQOSA-N 439.512 2.414 10 10 IECE CC(=O)N1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(N(C)C)c(F)c2)[C@@H](C)C1 1540988328 ILOTYCHVDXTWOG-QFBILLFUSA-N 444.555 2.483 10 10 IECE Cc1cc(N(C)C)ccc1Cn1c([C@H]2CCOC2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1542226689 GFJMLLXDBOWVPA-AEFFLSMTSA-N 435.594 2.074 10 10 IECE COc1ccc(N2CC[C@@H](CNC(=O)C3(O)CN(C(=O)OCc4ccccc4)C3)C2)cc1 1557133588 QHRVWWUGFQFNRB-IBGZPJMESA-N 439.512 2.021 10 10 IECE COc1ccc(N2CCN(CC(=O)Nc3cccc(C(=O)N(C)C)c3)CC2)c(OC)c1 1560083559 YZYLBKFFCXNBBY-UHFFFAOYSA-N 426.517 2.166 10 10 IECE COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCCCN(CC(=O)OC(C)(C)C)C2=O)c1 1565247211 NYOONKAWTIAXCK-WMLDXEAASA-N 435.521 2.484 10 10 IECE CN(C)c1ccc([C@@H](CNC(=O)N2CCn3c(nnc3C(F)(F)F)C2)N(C)C)cc1 1565452760 KEUGMRDMCCEIHO-OAHLLOKOSA-N 425.459 2.191 10 10 IECE C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CCn1cc(S(N)(=O)=O)cn1 1566846502 WYERAHJGGUBFJZ-MRXNPFEDSA-N 428.514 2.416 10 10 IECE COc1ccc(N2CCN(C(=O)CCc3c(C)[nH]c(-c4ccncc4)nc3=O)CC2)cc1 1594800159 UHDKBUCCVCXQCS-UHFFFAOYSA-N 433.512 2.430 10 10 IECE CNS(=O)(=O)NCC(=O)N[C@@H]1CCCc2c1cc(C)n2-c1cccc(C(F)(F)F)c1 1648493808 MTFDKDIGMCUHII-MRXNPFEDSA-N 444.479 2.352 10 10 IECE COC(=O)c1cc(OCC(=O)NCc2cc(OC)c(OC)cc2OC)ccc1N(C)C 1653034121 URVZTEGJHBEVRZ-UHFFFAOYSA-N 432.473 2.260 10 10 IECE COc1ccc(N2CCN(C(=O)COc3cc(Br)cnc3C=O)CC2)cc1 1656927150 BLLNODSGLZZWPZ-UHFFFAOYSA-N 434.290 2.393 10 10 IECE C[C@H]1CN(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)C[C@]2(CCCOC2)O1 1673472751 XSVRWFFGVQMCIV-BTYIYWSLSA-N 425.476 2.281 10 10 IECE CN(C)c1ccc([C@@H](CNC(=O)NCc2cc(S(C)(=O)=O)ccc2F)N(C)C)cc1 1681973257 GVXJHWRUPFQQRS-HXUWFJFHSA-N 436.553 2.397 10 10 IECE CC(C)(C)OC(=O)NC1(CNC(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)CC1 1684175903 RKBISKAOFNCPHL-UHFFFAOYSA-N 445.564 2.245 10 10 IECE CC(C)c1nnc2n1CCN(C(=O)NCc1ccc(N3CCC(C(N)=O)CC3)cc1)[C@H]2C 1685330983 IZQDTLCMBWCSMR-INIZCTEOSA-N 439.564 2.390 10 10 IECE COc1ccc(N2CC[C@@H](CNC(=O)N3CC[C@](C)(NC(=O)C(F)(F)F)C3)C2)cc1 1686856284 MXKDARVFWOVGQR-LIRRHRJNSA-N 428.455 2.374 10 10 IECE CN(Cc1ccccc1O)c1nnc([C@H]2CCCOC2)n1C[C@H]1CCCCS1(=O)=O 1696700824 QMKMUSGYADSYQL-ZWKOTPCHSA-N 434.562 2.481 10 10 IECE CC(=O)N1CSC[C@@H]1C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 742755849 YJXOVNSNBBZRED-ZWKOTPCHSA-N 436.578 2.356 10 10 IECE CCOC(=O)C1=CC[C@H](NC(=O)N2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)C1 1230965238 FXKGUJLBDFEWHL-INIZCTEOSA-N 433.505 2.196 10 10 IECE CC(C)c1nnc(N2CCN(CC(=O)NC3CC3)CC2)n1Cc1ccc(N(C)C)c(F)c1 1287219797 PHKFHLGZUOHTKX-UHFFFAOYSA-N 443.571 2.056 10 10 IECE CCN(CC)c1ccc(CNC(=O)[C@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)cc1 1291711008 MGUONTBZHQIBAD-IFMALSPDSA-N 427.520 2.493 10 10 IECE CN(C)c1ccc([C@@H](CNC(=O)N2CCC(C(=O)NCC(F)(F)F)CC2)N(C)C)cc1 1479534814 OSYPOOVVFUEYSL-GOSISDBHSA-N 443.514 2.455 10 10 IECE CC(=O)N1CCN(c2nnc(-c3cnccn3)n2CCCSc2nccs2)[C@H](C)C1 1508251445 JCYNJLRWHKVYOU-CQSZACIVSA-N 444.590 2.431 10 10 IECE CN(Cc1ccccc1O)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCCC1(C)C 1517150559 ZUQCDRWVKWLQBR-JTSKRJEESA-N 448.589 2.463 10 10 IECE COCCS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)cc1 1529708505 OZSMHUYLDWDVKO-QGZVFWFLSA-N 432.542 2.372 10 10 IECE CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)N1Cc2cccc(O)c2C1 1558036071 PHUNJUUJZKBNMF-OAQYLSRUSA-N 446.525 2.399 10 10 IECE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@@H]3C[C@H]3C3CCCC3)CC2)cc1 1586835815 LJCNTKYXRAONMG-LEWJYISDSA-N 435.590 2.090 10 10 IECE CCOCCN(C)c1nnc(-c2cnccn2)n1Cc1ccc(N2CCOCC2)c(F)c1 1617137185 FDTIBMXTNVFULB-UHFFFAOYSA-N 441.511 2.232 10 10 IECE CN(CCN(C)c1ccc(S(N)(=O)=O)cc1)C(=O)c1cc2cc(O)c(O)cc2s1 1625113514 XUPUISCUOQEDOD-UHFFFAOYSA-N 435.527 2.168 10 10 IECE C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)NCc2cc(Cl)cc(Cl)c2O)cc1 1625684293 OMCRLGLZRBYXAA-SNVBAGLBSA-N 433.313 2.288 10 10 IECE CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cccc(CN2CCN(C)CC2)c1 1643245881 XJEXKTPBRGAZRG-UHFFFAOYSA-N 425.529 2.345 10 10 IECE O=C1NCCN(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)[C@@H]1c1ccccc1F 1673472278 FNRJTASJTUMSHR-LJQANCHMSA-N 448.445 2.323 10 10 IECE CN(Cc1ccccc1O)c1nnc([C@H]2CCCCO2)n1CCNC(=O)c1cc[nH]n1 1747750090 KXUNUDVLDCUNIT-GOSISDBHSA-N 425.493 2.015 10 10 IECE CC[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(c2ccc(OC)cc2)CC1)OC 1764247586 DKFPMBUKWWOLCG-AZUAARDMSA-N 442.564 2.380 10 10 IECE CCOCc1nnc(N2C[C@H](OC)[C@H](OC)C2)n1Cc1ccc(N2CCSCC2)cc1 1767985835 QGQWUUJWVQSLSS-BGYRXZFFSA-N 447.605 2.266 10 10 IECE COCCN1CCN(c2nnc(C)n2Cc2ccc(N3CCC(CO)CC3)cc2)C[C@@H]1C 1771133103 DQHTUWUGGVWUGJ-IBGZPJMESA-N 442.608 2.000 10 10 IECE Cc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cccs1)=C(N)O2 1864008165 DRJOJMGTEYSRSK-QGZVFWFLSA-N 426.498 2.255 10 10 IECE CCn1nc(C)c2c1OC(N)=C(C(=O)N1CCCC[C@@H]1CCO)[C@@H]2c1ccc(O)c(O)c1 1865025741 CSVHZYYPONPSPY-DNVCBOLYSA-N 442.516 2.081 10 10 IECE COC(=O)/C=C/c1ccc(N2CCC(CC(=O)N3CCN(C)CC3)CC2)c([N+](=O)[O-])c1 731351821 AMDFJDYDGNUZHF-GQCTYLIASA-N 430.505 2.162 10 10 IECE CCCc1ccc([C@H](C)N(CC(N)=O)C(=O)c2cc(NS(C)(=O)=O)ccc2O)cc1 769721170 ZNRYOWKVCLUMAS-AWEZNQCLSA-N 433.530 2.405 10 10 IECE NC(=O)[C@H](Cc1ccc(F)cc1)OC(=O)c1ccc2c(c1N)C(=O)c1ccccc1C2=O 784999139 PXAHVZZKICWVRF-SFHVURJKSA-N 432.407 2.437 10 10 IECE O=C(Nc1ccc(N2CCN(S(=O)(=O)C(F)F)CC2)cc1)c1c(F)ccc(O)c1O 1182840380 BJSBWMCTXQDLNF-UHFFFAOYSA-N 445.419 2.164 10 10 IECE COc1ccc(N2CCN(CC(=O)NC[C@@H](c3ccccc3)N(C)C)CC2)c(OC)c1 1197105645 UNBCLVJRNMJVMC-QFIPXVFZSA-N 426.561 2.245 10 10 IECE NC(=O)C[C@@H](NC(=O)c1ccccc1F)C(=O)N(Cc1ccco1)Cc1ccccc1O 1294671217 FWTXVLHFOQFTMI-LJQANCHMSA-N 439.443 2.327 10 10 IECE CCOCc1nnc(N2CCCN(c3ccc(OC)cc3)CC2)n1CCNC(=O)C(C)C 1297243938 WXRCUTAVAOFKBL-UHFFFAOYSA-N 444.580 2.312 10 10 IECE Nc1ncnc2c1ncn2C[C@@H]1CC[C@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)O1 1298840812 IIJBYQCVMGDVLL-WCQYABFASA-N 437.287 2.285 10 10 IECE CC(C)C(=O)NCCN(C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(N(C)C)c(F)c1 1302455801 MGVSKXJIBYVWPS-UHFFFAOYSA-N 442.543 2.140 10 10 IECE COCCn1c(N)c(N(Cc2ccccc2)C(=O)/C(C)=C\c2cccnc2)c(O)nc1=O 1350273181 PSTJRYHXUPTINY-SSZFMOIBSA-N 435.484 2.209 10 10 IECE CC(=O)N1CCN(c2nnc([C@@H]3CCCOC3)n2CCCSc2nccs2)CC1 1359391116 PTWWVBABLOSJPA-MRXNPFEDSA-N 436.607 2.480 10 10 IECE NC(=O)N=Nc1ccc(C(=O)N2CCN([C@@H](C(N)=O)c3ccc(Cl)cc3)CC2)cc1 1466291263 AYZSPTDUAUFUPJ-QGZVFWFLSA-N 428.880 2.487 10 10 IECE C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)[C@H](C)C2)n1Cc1ccc2c(c1)CCCN2C 1510173235 PVNBUZYCBSLCNN-ZACQAIPSSA-N 446.621 2.411 10 10 IECE CC[C@@H](C)c1nnc(N2CCO[C@H](C(=O)NC)C2)n1Cc1ccc2c(c1)CCCN2C 1513059753 HSROASKWMPYVKI-UZLBHIALSA-N 426.565 2.174 10 10 IECE CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@]1(O)CCS(=O)(=O)C1 1515325923 XVALOPYNEOPSOC-JOCHJYFZSA-N 443.573 2.358 10 10 IECE CCOCc1nnc(N2CCN(C(C)=O)CC2)n1Cc1ccc(N2CCSCC2)cc1 1516586197 FZCFAZFVPUUEQS-UHFFFAOYSA-N 444.605 2.085 10 10 IECE Cc1nn(C)cc1C1=NO[C@@H](C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)C1 1542490669 UVUFRHASASJDTC-SIKLNZKXSA-N 425.533 2.495 10 10 IECE Cc1cc(CC(=O)NC2(C(N)=O)CN(C(=O)OC(C)(C)C)C2)c(C)n1-c1ccccc1 1567584689 JRBYEXSPPXVMRK-UHFFFAOYSA-N 426.517 2.228 10 10 IECE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)C(C)(C)c3ccccc3)CC2)cc1 1585654439 XYDDKBGZZTUZBT-UHFFFAOYSA-N 445.585 2.241 10 10 IECE CCn1ncnc1-c1ccc(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1 1617143311 SBLADDSQHQNQGJ-UHFFFAOYSA-N 439.541 2.130 10 10 IECE Cc1c(C(=O)NCc2cccc(O)c2O)nnn1C1CCN(C(=O)OC(C)(C)C)CC1 1644708443 LEOAURJZZRVBIN-UHFFFAOYSA-N 431.493 2.500 10 10 IECE CCOC(=O)[C@H](CC1CC1)NCC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 1648237824 MRRKZPORSOHMCM-YRNRMSPPSA-N 435.540 2.377 10 10 IECE CN(C)c1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)C[C@@H]2CCCOC2)cc1F 1696608946 ARMFSLCCSXFBAO-FUHWJXTLSA-N 430.528 2.345 10 10 IECE CC(=O)NC[C@@H]1CN(c2nnc(C(C)(C)C)n2Cc2ccc3c(c2)CCCN3C)CCO1 1706048823 VJWBHEBXGJETTC-HXUWFJFHSA-N 440.592 2.348 10 10 IECE CCOCCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(C)C)cc1C 1747350730 UTPUCYASHNAASF-LJQANCHMSA-N 449.621 2.466 10 10 IECE CCc1nnc(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)n1CCCSc1nccs1 1762964739 VKOXMLASKDAYGW-IBGZPJMESA-N 449.606 2.294 10 10 IECE 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10 IECE CCN1CCN([C@H](C)Cn2c(-c3cnccn3)nnc2N(C)Cc2ccccc2O)CC1 1502312813 SRXXCYHPXWVABX-GOSISDBHSA-N 436.564 2.103 10 10 IECE CCNS(=O)(=O)[C@H]1CCN(c2nnc(C(C)C)n2Cc2ccc3c(c2)CCCN3C)C1 1516018763 SBJKRFXCCIWQNZ-IBGZPJMESA-N 446.621 2.350 10 10 IECE COc1ccc(N2CCN(CCCNC(=O)[C@]3(C)Oc4ccccc4NC3=O)CC2)cc1 1523443081 QGLPYJHBIAWLRD-DEOSSOPVSA-N 438.528 2.113 10 10 IECE CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)Cn1c2c(c3cc(OC)ccc31)CCCC2 1538606648 ZLGMTMSKJKZVOF-CABCVRRESA-N 429.517 2.101 10 10 IECE COCC[C@@](C)(O)Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ccccc1O 1555424441 MFDUARJMHQASHY-JOCHJYFZSA-N 443.504 2.135 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CCC[C@H](OC4CCC4)C3)CC2)cc1 1583191486 XZFLFDZFKHPPQU-LEQVUBRHSA-N 427.545 2.460 10 10 IECE CCOC(=O)CN(Cc1ccccc1O)C(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 1639587726 CSMWEXIUICCGBG-QGZVFWFLSA-N 436.505 2.310 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CCC4(CCCCO4)CC3)CC2)cc1 1643495929 SEYDWOKLGJRPQB-CMDGGOBGSA-N 427.545 2.462 10 10 IECE Cc1cccc(-n2c(C)cc(CNC(=O)CCNS(=O)(=O)c3cn(C)c(C)n3)c2C)c1 1648611835 QTGKLNLIEMJGIB-UHFFFAOYSA-N 443.573 2.429 10 10 IECE CC[C@H]1CN(c2nnc(CN3CCCC3=O)n2Cc2ccc(N(C)C)cc2C)CCO1 1694965341 ACLAXJRFVLDCLI-FQEVSTJZSA-N 426.565 2.438 10 10 IECE COC(=O)N1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(N(C)C)cc2C)C[C@@H]1C 1711476866 YKVOBUKCZQQPLM-HKUYNNGSSA-N 442.564 2.482 10 10 IECE COc1ccc(N2CCN(c3nnc(C)n3C[C@@]3(N(C)C)CCSC3)CC2)cc1F 1711866397 XLLJPJMBKOPSRL-NRFANRHFSA-N 434.585 2.498 10 10 IECE Cc1cc(-c2nnc(N(C)[C@@H](C)CC(N)=O)n2Cc2ncn(C)n2)c(C)n1-c1ccccc1 1751414183 FILWQUQCJIOIDE-HNNXBMFYSA-N 447.547 2.230 10 10 IECE Cc1cc(N(C)C)ccc1Cn1c([C@@H]2CCOC2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1761698843 ZDEYQHFHZXTNPZ-JENIJYKNSA-N 449.621 2.463 10 10 IECE COCCO[C@@H](C)c1nnc(N2CC[C@H](C(=O)OC)C2)n1Cc1ccc(N(C)C)c(F)c1 1769985214 LMGQOKRRCYNJAQ-RDJZCZTQSA-N 449.527 2.255 10 10 IECE COCCCOC1CCN(c2nnc(C)n2Cc2ccc(N3CCOCC3)cc2)CC1 1771062638 HRCPEEHSYGFKJF-UHFFFAOYSA-N 429.565 2.493 10 10 IECE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)c3cc(-c4ccncc4)[nH]n3)CC2)cc1 1868981663 ZKMCORUXIKTVBW-UHFFFAOYSA-N 448.527 2.338 10 10 IECE COC1(CCNS(=O)(=O)Cc2ccc(N)cc2)CN(C(=O)OCc2ccccc2)C1 2167659652 GBLGVEKQDZRPPM-UHFFFAOYSA-N 433.530 2.116 10 10 IECE COc1ccc(Br)c(CNC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c1O 2227749128 SCBZWDKIAXYQNM-RISCZKNCSA-N 431.327 2.481 10 10 IECE O=C(O)COc1cccc(/C=C2/SC(=S)N(NC(=O)c3ccc(O)cc3)C2=O)c1 210521331 SBBAUKFIPSSGJU-OQLLNIDSSA-N 430.463 2.402 10 10 IECE COCCOc1ncccc1NC(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 728121750 OQZSSKSNMLFOLW-UHFFFAOYSA-N 429.521 2.059 10 10 IECE CCN1CCN(c2ccc(CNC(=O)N[C@H]3CCCN(c4ncccn4)C3)cc2F)CC1 730117634 BJCORTLYXQCAAS-IBGZPJMESA-N 441.555 2.226 10 10 IECE C[C@H]1CN(c2ccc(CNC(=O)COC(=O)c3ccc([N+](=O)[O-])cn3)cc2F)C[C@@H](C)O1 761985659 KBSBCTPOBXMMPS-OKILXGFUSA-N 446.435 2.216 10 10 IECE C[C@H]1CN(c2ccc(CNC(=O)CN3CCCC[C@@H]3[C@H]3CNC(=O)C3)cc2F)C[C@@H](C)O1 764467909 VJPFBKVCPYBZSJ-SHJAMOMRSA-N 446.567 2.046 10 10 IECE O=C(CN1C(=O)COc2ccccc21)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 768545249 WJRXDQUWSNQQBV-UHFFFAOYSA-N 434.540 2.260 10 10 IECE O=C(NCc1ccc(N2CCN(CC3CC3)CC2)cc1)c1cccnc1N1CCOCC1 768916146 TXOQNEXUBSSACK-UHFFFAOYSA-N 435.572 2.380 10 10 IECE CCn1cc(S(=O)(=O)NC(=O)Cn2c3c(c4ccccc42)CN(C(C)C)CC3)nc1C 774165723 RXWSYGKWXNPMNG-UHFFFAOYSA-N 443.573 2.438 10 10 IECE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCc1cccc(N2CCOCC2)n1 776255126 CHJFXZSWKRGDPF-UHFFFAOYSA-N 425.533 2.096 10 10 IECE CCOC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)c1cc(NS(C)(=O)=O)ccc1O 799035076 RWHUTTSILVYCQS-INIZCTEOSA-N 440.905 2.321 10 10 IECE Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N[C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)cc1 1148435385 MJNYSACFQGODBV-AOMKIAJQSA-N 433.512 2.493 10 10 IECE O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)N1CCC[C@@H](N2CCCC2=O)CC1 1229780868 JRDUKRUEENXBFL-QGZVFWFLSA-N 436.503 2.488 10 10 IECE O=C(Cc1ccc(O)c(O)c1)NCCN1C(=O)S/C(=C/c2ccc3c(c2)OCO3)C1=O 1290575258 HFRMXAGBVQYNGX-GIJQJNRQSA-N 442.449 2.222 10 10 IECE Cc1cc(N(C)C)ccc1Cn1c([C@@H]2CCCOC2)nnc1N(C)CCCS(C)(=O)=O 1304238246 NGIRBXKDOUAELB-LJQANCHMSA-N 449.621 2.466 10 10 IECE NC(=O)c1cccc(S(=O)(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 1322085329 WMCADUKHRRMXHM-AWEZNQCLSA-N 425.457 2.334 10 10 IECE COc1ccc(O)c([C@H](C)NC(=O)c2sccc2S(=O)(=O)N2CCC(O)CC2)c1 1445966612 INAHCHURXXGKHO-LBPRGKRZSA-N 440.543 2.099 10 10 IECE CC[C@H](C)c1nnc(N2CCN(c3ccc(OC)c(F)c3)CC2)n1C[C@@]1(O)CCOC1 1513019358 QAXSGLAACDUXIW-AOMKIAJQSA-N 433.528 2.417 10 10 IECE CCOCc1nnc(N2CC(=O)N(C)C[C@@H]2C)n1Cc1ccc(N2CCSCC2)cc1 1548098168 UFOUHHNXZVUKEW-KRWDZBQOSA-N 444.605 2.083 10 10 IECE CN(Cc1ccccc1O)c1nnc([C@@H]2CCCOC2)n1CC1(CS(C)(=O)=O)CC1 1554174752 BUNHRCGWHYLKMP-QGZVFWFLSA-N 434.562 2.339 10 10 IECE Nc1ncc2c(n1)CCN(C(=O)CCN1C(=O)/C(=C/c3ccc(F)cc3)SC1=S)C2 1556252677 HKCFWTOGKNNDMP-SXGWCWSVSA-N 443.529 2.374 10 10 IECE CC[C@@H](C)c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1Cc1ccc(N2CCOCC2)c(F)c1 1613198346 ULOHIYOQJFAXFG-IAGOWNOFSA-N 444.555 2.483 10 10 IECE CCN(C(=O)c1cccc(O)c1O)[C@@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1640599879 PBVWVFFOGFKSPP-HNNXBMFYSA-N 435.521 2.418 10 10 IECE O=C(CN1CC[C@H](c2ccccc2)[C@H](CO)C1)NCc1ccc(N2CCOCC2)c(F)c1 1643793603 XMRXXIYODCRAPH-FCHUYYIVSA-N 441.547 2.377 10 10 IECE COC(=O)[C@]1(NC[C@H](O)CN2CCN(c3ccc(OC)cc3)CC2)CCCC(C)(C)C1 1647801186 AXPXTEOZLVTLAD-RDPSFJRHSA-N 433.593 2.280 10 10 IECE C[C@@H]1CN(c2ccc(CNC(=O)CN3CCO[C@](C)(C(F)F)C3)cc2F)C[C@@H](C)O1 1654301375 VEBDSFZXKDXBEI-PZPWOCDFSA-N 429.483 2.412 10 10 IECE COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CN(Cc4ccccc4)CC[C@H]3CO)C2)cc1 1683944967 OCVOZVGMLMBOGA-AWRGLXIESA-N 438.572 2.456 10 10 IECE COCCN(C)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(N2CCOCC2)c(F)c1 1712412383 IEGLIDRMRAZIMQ-GOSISDBHSA-N 433.528 2.279 10 10 IECE CC(C)Cc1nnc(N2CCc3nn(C)c(=O)cc3C2)n1Cc1ccc(N(C)C)c(F)c1 1741462231 YBZXDHAMNVBPQK-UHFFFAOYSA-N 439.539 2.386 10 10 IECE CC[C@@H](C)c1nnc(N2CCN(C)C(=O)[C@@H]2C)n1Cc1ccc(N2CCOCC2)c(F)c1 1763738721 FXNVUYUXEZOHBH-SJORKVTESA-N 444.555 2.483 10 10 IECE COCCN1C(=O)C(=Cc2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)C(=O)NC1=S 2297560478 ZVJUHRIRIOEVIG-UHFFFAOYSA-N 428.470 2.275 10 10 IECE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N(C)Cc2ccc(N(C)C)cc2)C1 105271261 RPSAKNDXDZPUDA-GOSISDBHSA-N 434.562 2.417 10 10 IECE O=C(O)COc1ccccc1/C=C1/SC(=S)N(NC(=O)c2ccc(O)cc2)C1=O 210521428 BLABLPUNLAXGBM-OQLLNIDSSA-N 430.463 2.402 10 10 IECE CCSC1=NC(=O)C2=c3ccccc3=N[C@H](c3ccc(N(CC)CC)cc3OC)N2N1 588226102 IJWNBUGOJDFYGC-NRFANRHFSA-N 437.569 2.438 10 10 IECE O=C(CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)NCc1cnn[nH]1 754862897 GIJCIQYWQMMOIK-XGICHPGQSA-N 438.332 2.085 10 10 IECE COc1ccc(N2CCN(CCNC(=O)Nc3cn(Cc4ccccc4)nn3)CC2)cc1 801729520 HJGAMHMYIXTHFA-UHFFFAOYSA-N 435.532 2.279 10 10 IECE O=C(NCc1ccc(N2CCC(O)CC2)cc1)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 1301350056 KSIRDRBRXJNRED-FQEVSTJZSA-N 439.531 2.494 10 10 IECE COc1ccc(N2CC[C@@H](CNC(=O)N[C@H](c3nc(-c4nc[nH]n4)no3)C(C)C)C2)cc1 1312900883 ADGMURYMOMKRKT-YOEHRIQHSA-N 440.508 2.386 10 10 IECE CC(C)CN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(N(C)C)c(F)c2)CC1=O 1360027556 ODEZLIIFPGKPPF-GOSISDBHSA-N 444.555 2.340 10 10 IECE C[C@@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)NCc1ccc(N2CCCCC2)cc1 1452050312 IHNKDCGNEIEYDB-BEFAXECRSA-N 437.587 2.083 10 10 IECE COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)Cc1c(Br)cnn1C 1466398088 HPOYWYYWWVVLNY-UHFFFAOYSA-N 430.686 2.286 10 10 IECE COc1ccc(N2CC[C@@H](CNC(=O)N(CCO)CCNC(=O)OC(C)(C)C)C2)cc1 1470592300 BUUUNZYOYMGJAH-KRWDZBQOSA-N 436.553 2.050 10 10 IECE Cc1cc(C(=O)NC2CCN(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N(C)C)CC2)no1 1471542509 CAEVYADXCFQHCG-OAQYLSRUSA-N 442.564 2.256 10 10 IECE CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)N(C)C)cc1 1586054678 LSPKYVQGIHKQBK-QZTJIDSGSA-N 443.504 2.278 10 10 IECE Cc1cc(NCCNC(=O)Cc2ccc(-n3c(C)cc(C=O)c3C)cc2)n2ncnc2n1 1634905791 OFOKBLWPVURRKI-UHFFFAOYSA-N 431.500 2.424 10 10 IECE CN(C)c1ccc([C@@H](CNC(=O)N2CCC[C@H](c3nnc(S)n3C)C2)N(C)C)cc1 1676653718 VYIAXYQTTMGAGM-FUHWJXTLSA-N 431.610 2.362 10 10 IECE C[C@@H]1OC[C@]2(CC[C@H](CNC(=O)NCc3ccc(N4CCC(C(N)=O)CC4)cc3)O2)[C@H]1C 1685330731 CDSNCKIJEPZYAZ-HUXRQEAXSA-N 444.576 2.160 10 10 IECE COc1ccc(N2CCCN(c3nnc(C)n3C[C@H](C)CN3CCOCC3)CC2)cc1 1730181792 QDMXFCXHUZBRFJ-LJQANCHMSA-N 428.581 2.280 10 10 IECE CCc1nnc(N2CCCN(c3ccc(OC)cc3)CC2)n1C[C@H]1CCS(=O)(=O)C1 1744677011 CVOYBTBQRRTCIZ-QGZVFWFLSA-N 433.578 2.001 10 10 IECE Cc1ccc(N=c2nc(N3C[C@H](C)O[C@@H](C)C3)[nH]c(N3C[C@H](C)O[C@H](C)C3)n2)c(O)c1 1871731150 AWXVJPNZIWRHTQ-LUKYLMHMSA-N 428.537 2.278 10 10 IECE COCCCNc1nc2ccccn2c(=O)c1C=C1SC(=S)N(CCCOC)C1=O 2053515965 RWEGPNRCNMCFTL-UHFFFAOYSA-N 448.570 2.381 10 10 IECE CN(C)c1ccc([C@H](CNS(=O)(=O)c2cc(F)ccc2F)N2CCOCC2)cc1 20604072 BXHLKDMKGUJNKN-IBGZPJMESA-N 425.501 2.383 10 10 IECE O=C1N[C@@H](c2cc(I)cc(I)c2O)CO1 382643284 RGHPCFWTVNRTRN-SSDOTTSWSA-N 430.967 2.382 10 10 IECE COc1ccc(N2CCN(C(=O)C3(NC(=O)c4c(C)nn(C)c4C)CCCC3)CC2)cc1 749330902 YBADRNINJYMJLW-UHFFFAOYSA-N 439.560 2.437 10 10 IECE COc1cccc(CS(=O)(=O)N2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)c1 759099478 BUQLYIZGIHVSGC-UHFFFAOYSA-N 436.530 2.373 10 10 IECE CNS(=O)(=O)c1cccc(CNC(=O)NCc2cc(Br)ccc2O)c1 804910258 VJLULYXWIBDPPS-UHFFFAOYSA-N 428.308 2.062 10 10 IECE Cc1nc(CN2CCN(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N(C)C)CC2)oc1C 1251500929 KLLAIXNMROTUJV-OAQYLSRUSA-N 428.581 2.488 10 10 IECE CC(C)(C)OC(=O)[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)Cc1ccc(O)c(O)c1 1300476976 VIDDGXWBUXTWPI-WBMJQRKESA-N 446.422 2.020 10 10 IECE CN(C)C[C@]1(O)CCN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)C1 1302818409 QUJDOGPMRACCNG-ILCZHQDMSA-N 439.628 2.255 10 10 IECE Cc1nn(-c2ccccn2)c(C)c1CC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 1351135808 UFSDPPLOYREDHV-FQEVSTJZSA-N 446.555 2.445 10 10 IECE C[C@H]1Cc2cc(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N(C)C)ccc2N1S(C)(=O)=O 1463285610 VCHYVOWXXMUGBW-KSFYIVLOSA-N 444.601 2.496 10 10 IECE CN(Cc1ccccc1O)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOCC1CC1 1503488887 ZKYZXHGRRGLCHW-SFHVURJKSA-N 434.562 2.339 10 10 IECE COC(=O)c1nc(=NC(=O)CCN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)cc[nH]1 1543885381 YBXRGUAHPCTHRV-JLHYYAGUSA-N 446.485 2.054 10 10 IECE COc1cc(N2CCN(C(=O)C[C@H]3NC(=O)c4ccccc43)CC2)cc(OC)c1OC 1624803928 FHPIZENNRBEVJC-GOSISDBHSA-N 425.485 2.236 10 10 IECE COc1cc(N2CCN(C(=O)[C@H]3CCCN(C(C)(C)C)C3=O)CC2)cc(OC)c1OC 1638186799 VYYSGMKMUAJYNU-QGZVFWFLSA-N 433.549 2.398 10 10 IECE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)NCc2cccc(Cl)c2O)C1=O 1648606316 NNWAHEFIUNDESL-NRFANRHFSA-N 431.876 2.446 10 10 IECE COc1ccc(N2CC[C@@H](CNC(=O)N[C@@H]3CCCN(CC(F)(F)F)C3=O)C2)cc1 1680556842 ZFENTKYWTKSKQB-WMLDXEAASA-N 428.455 2.374 10 10 IECE COc1ccc(N2CC[C@H](NC(=O)N3CCO[C@H](CNC(=O)OC(C)(C)C)C3)C2)cc1 1683782075 HZBWJDYAIRGNPR-QFBILLFUSA-N 434.537 2.209 10 10 IECE Cc1cccc(C)c1NC(=O)CNC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1685243957 GCAFSKQWUNLIKF-UHFFFAOYSA-N 437.544 2.443 10 10 IECE CCC[C@@H](C)C(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1O 1695055276 HHRUHKFPSWTFOL-WBVHZDCISA-N 428.537 2.124 10 10 IECE 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CCc1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1613923652 ZKTMZGOZPDGHCU-SJLPKXTDSA-N 433.578 2.387 10 10 IECE CN1CCCc2cc(Cn3c(-c4cccn4C)nnc3N(C)CCS(C)(=O)=O)ccc21 1618475043 JNYMIMAXJDYVQM-UHFFFAOYSA-N 442.589 2.195 10 10 IECE COC[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(N(C)C)cc2C)C[C@H](C)O1 1619748145 OGGXMJPOLPDEDY-DSKINZAPSA-N 429.565 2.445 10 10 IECE COc1ccc(CCNC(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)cc1O 1638135089 WBHIVABCBIYDLY-UHFFFAOYSA-N 426.517 2.144 10 10 IECE C[C@H]1CCCN(c2ccc(CNC(=O)[C@H]3CCCN(S(N)(=O)=O)C3)cc2Cl)C1 1639532896 AZMLMAHLKLOCKR-HOCLYGCPSA-N 428.986 2.108 10 10 IECE CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)Cc1ccc(S(N)(=O)=O)cc1 1639827478 VTQAHXIGBZNSLW-UHFFFAOYSA-N 447.557 2.265 10 10 IECE COc1ccc(O)c([C@H](C)NC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)c1 1682583071 SOUMTXZPOJKXQD-HNNXBMFYSA-N 433.530 2.196 10 10 IECE CCc1nnc(N2CCC[C@H](C(=O)NC)C2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1694700698 DZTXIUVFYARLSQ-FQEVSTJZSA-N 440.592 2.060 10 10 IECE CCN(C)C(=O)Cn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1ccccc1O 1709909212 NEWOPQUXUZYVBD-UHFFFAOYSA-N 442.545 2.090 10 10 IECE CCOc1cccc([C@H](c2sc3nc(COC)nn3c2O)N(C)CCC(=O)O)c1O 1857927693 FWNJZPNVHXRIMR-OAHLLOKOSA-N 436.490 2.243 10 10 IECE COc1ccc(N2CCN(c3nc(NC(=O)c4ccccc4[N+](=O)[O-])n(C)n3)CC2)cc1 1869969207 JLVQUQGRMXJBSK-UHFFFAOYSA-N 437.460 2.311 10 10 IECE NS(=O)(=O)c1ccc(-n2cccc2/C=C2\C(=O)NN(c3ccc(Cl)cc3)C2=O)cc1 670160 CXKBPGWCRBSGOF-LDADJPATSA-N 442.884 2.240 10 10 IECE Cc1c(/C=C2\SC(=S)N(CC(=O)O)C2=O)c(N2CCCCCC2)n(C)c(=O)c1C#N 33812494 FOTCGEBNRNKXML-DHDCSXOGSA-N 446.554 2.232 10 10 IECE COc1ccc(N2CCN(CCCNC(=O)c3cnc(-c4cnn(C)c4)s3)CC2)cc1 732630500 NFDPFONTMHFKQX-UHFFFAOYSA-N 440.573 2.494 10 10 IECE COc1ccc(N2CCN(C(=O)COC(=O)c3ccnc(N4CC[C@H](C)C4)c3)CC2)cc1 752601193 OEDLRLMYRLGUCT-SFHVURJKSA-N 438.528 2.442 10 10 IECE Cc1cc(C(=O)OCC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)nc(C)n1 755166377 UCXQGBBJVVISMU-GASCZTMLSA-N 430.480 2.319 10 10 IECE Cc1cc(N2CCC[C@H](NC(=O)N(C)Cc3ccc(N4CCOCC4)cc3)C2)n(C)n1 775144385 BCPSBMAIBYENQI-FQEVSTJZSA-N 426.565 2.376 10 10 IECE COc1ccc(N2CCN([C@H](C)C(=O)NC[C@H]3COc4ccccc4O3)CC2)c(OC)c1 1197105667 USVSMCWSBTWOPE-MJGOQNOKSA-N 441.528 2.171 10 10 IECE CO[C@H]1COCC[C@H]1CC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 1357231969 RDOHMORYKXTSDB-RXVVDRJESA-N 443.523 2.000 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C/C(=O)Nc3ccccc3C[S@@](C)=O)CC2)cc1 1447487074 BCBMCZWSWRZKRZ-LYJXMUGZSA-N 441.553 2.417 10 10 IECE CSCC[C@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)NCc1ccc(O)cc1O 1451770817 RVJABUBWZQQYSK-ANGAQGJPSA-N 436.555 2.426 10 10 IECE COc1ccc(N2CCN(C(=O)c3nn(C)cc3I)CC2)cc1F 1465930374 OQRKDRIULGYICS-UHFFFAOYSA-N 444.248 2.135 10 10 IECE O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)c1ccc(=O)n(Cc2ccccc2)n1 1528261687 NCRLTBYGWGQFAA-UHFFFAOYSA-N 440.450 2.336 10 10 IECE COc1ccc(N2CCN(CCCNC(=O)[C@@H]3Cc4cc(F)ccc4NC3=O)CC2)cc1 1540534287 UVHOCNZJNYLQIX-NRFANRHFSA-N 440.519 2.274 10 10 IECE CC(=O)N1CCN(c2ccc(CNC(=O)[C@H]3CCN(Cc4ccccc4)C3=O)cc2)CC1 1556199133 BYKHUTJIDFJSOK-HSZRJFAPSA-N 434.540 2.020 10 10 IECE CN(C)c1ccc([C@H](CNC(=O)c2nnn(C(C)(C)C)n2)NC(=O)OC(C)(C)C)cc1 1565881739 HNVJPILUUYGGNH-INIZCTEOSA-N 431.541 2.490 10 10 IECE CC[C@H]1CN([C@H](CC)C(=O)N2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)CCO1 1567381132 FXHDDECZCLRBGV-RBUKOAKNSA-N 435.565 2.250 10 10 IECE CN1CCN(c2ccc(CNC(=O)CS(=O)(=O)CCCc3ccccc3)cc2)CC1 1583476444 VFHDHLLAEONYDB-UHFFFAOYSA-N 429.586 2.102 10 10 IECE COCCOCCc1ncc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)[nH]1 1625089800 IBIAWZDONULRTN-HZPDHXFCSA-N 434.512 2.298 10 10 IECE CNC(=O)N[C@@H]1CCCN([C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C1 1655581876 WJKZPBMWLMYGFV-HUUCEWRRSA-N 434.496 2.182 10 10 IECE COc1ccc(N2CC[C@H](CNC(=O)NC[C@@H]3CN(Cc4ccncc4)CCO3)C2)cc1 1683339995 LKEAXNVWXHZEPY-NFBKMPQASA-N 439.560 2.117 10 10 IECE CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCSc2nccs2)C[C@@H]1C 1710280995 QORUZZRGOHWDCH-GJZGRUSLSA-N 435.623 2.399 10 10 IECE COc1ccc(N2CCN(CCCNC(=O)[C@H]3Cc4ccccc4N3C(C)=O)CC2)cc1 15773247 RYNLTMVGXPNYQZ-XMMPIXPASA-N 436.556 2.301 10 10 IECE CN1CCN(N2C(=O)/C(=C/c3c[nH]nc3-c3cccc([N+](=O)[O-])c3)SC2=S)CC1 35518612 QCWWIWJFKSUHAY-GDNBJRDFSA-N 430.515 2.349 10 10 IECE CCCn1c(N2CCCC2)c(/C=C2\SC(=S)N(CC(=O)O)C2=O)c(C)c(C#N)c1=O 39990003 LXWMHIRJKLIZKP-DHDCSXOGSA-N 446.554 2.324 10 10 IECE N[C@@H](c1cc(I)cc(I)c1O)[C@H](O)C1CC1 95824516 APGXWHCOJPYCTN-VHSXEESVSA-N 445.038 2.372 10 10 IECE COC(=O)Cc1ccc(NC(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)cc1 743313233 FFEMFXSYIODXSB-UHFFFAOYSA-N 426.517 2.354 10 10 IECE CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CCC3)cc1 758147017 TYADDQAXEDMYKV-UHFFFAOYSA-N 435.527 2.084 10 10 IECE O=C(NCc1ccc(N2CCN(CC3CC3)CC2)cc1)N1CCO[C@H]([C@H]2CCCO2)C1 769058833 ZCJRTJCXZRTVJE-PKTZIBPZSA-N 428.577 2.308 10 10 IECE CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCN(c3ccc(F)cn3)CC2)c1 774645740 AEKUZNUWJHAZCL-UHFFFAOYSA-N 428.508 2.283 10 10 IECE C[C@H](NCC(=O)Nc1cc(S(C)(=O)=O)ccc1F)c1ccc(N2CCOCC2)cc1 775260578 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CCOC(=O)C1CCC(O)(C[C@H](O)CN2CCCN(c3ccc(OC)cc3)CC2)CC1 1307424858 WMKGPQMNPUJYRY-MMPATGFWSA-N 434.577 2.443 10 10 IECE C[C@H](Sc1nc(CC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cs1)C(N)=O 1440672860 JFYHEAWWXUQFRL-AWEZNQCLSA-N 434.587 2.147 10 10 IECE COC(=O)[C@@H]1[C@@H]2CC[C@@H]([C@@H]1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)N2C(=O)OC(C)(C)C 1447566702 ZPMOLBFBWOKDAG-GTZSGAPKSA-N 448.516 2.332 10 10 IECE Cc1cc(C(=O)N(C)CCOc2ccc(S(N)(=O)=O)cc2F)c(C)n1-c1ccccn1 1451291763 LWFVLIJROGBFDI-UHFFFAOYSA-N 446.504 2.427 10 10 IECE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N1CC[C@H](Oc2ccccc2)C1 1470753258 MWJBDOREFNABRO-NRFANRHFSA-N 429.542 2.284 10 10 IECE CN(CCCC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)C(=O)c1ccncc1 1544631109 WKFHFERFKDBLAB-UHFFFAOYSA-N 428.508 2.350 10 10 IECE O=C1OC2(CN(Cc3ccc(N4CCOCC4)cc3)C2)[C@@H]2CN(Cc3ccccc3)CCN12 1549162716 VCPVLLZKYUPYMU-DEOSSOPVSA-N 448.567 2.414 10 10 IECE O=C(c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O)N1CC[C@H](N2CCC2)C1 1557591637 GCYPQEULBVQFBU-INIZCTEOSA-N 446.485 2.021 10 10 IECE 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CN(c1ccc(CNC(=O)c2cnn3c2S(=O)(=O)N(C)CC3)cc1)C1CCCCC1 1442445088 IMQQETKQUQEBAG-UHFFFAOYSA-N 431.562 2.216 10 10 IECE C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)NCc1ccc(N2CCC(O)CC2)cc1 1469442042 MRLNXFHXWWDJKJ-KRWDZBQOSA-N 435.528 2.246 10 10 IECE C[C@H]1CN(C)C(=O)CN1c1nnc(C(C)(C)C)n1Cc1ccc(N2CCOCC2)cc1 1494099320 KLXNFHRKUVNMFF-KRWDZBQOSA-N 426.565 2.127 10 10 IECE O=C(Cc1csc(N2CCCC2=O)n1)NCc1cc(F)c(N2CCOCC2)c(F)c1 1528261159 ICIOESOUKRILQV-UHFFFAOYSA-N 436.484 2.244 10 10 IECE CNC(=O)[C@@H](C)CN(C)c1nnc(CC(C)C)n1Cc1ccc(N2CCOCC2)cc1 1554392038 QRNGLFBXONYYDV-SFHVURJKSA-N 428.581 2.180 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CCC(C)(N4CCCC4)CC3)CC2)cc1 1631456628 SMDACGPLXUUZIB-KTKRTIGZSA-N 440.588 2.377 10 10 IECE Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CCC(O)(CN3CCOCC3)CC2)cc1 1637086844 AMDPSRRONAIQOO-UHFFFAOYSA-N 439.556 2.135 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NC3CCC(C)(N(C)C)CC3)CC2)cc1 1642961364 BCKOGRGBMIDOQU-MDZDMXLPSA-N 428.577 2.279 10 10 IECE COC(=O)c1ccc2c(c1)CCN(C[C@H](O)CN1CCN(c3ccc(OC)cc3)CC1)C2 1648197566 YSAYPFPHIBMCHN-HSZRJFAPSA-N 439.556 2.023 10 10 IECE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCCN2C(=O)/C=C\c2ccc(O)c(O)c2)CC1 1648312899 NOBACOWLEOFJMM-KMDWOBIYSA-N 445.516 2.181 10 10 IECE NC(=O)[C@@H]1CN(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)C[C@H]1c1ccccc1 1683195687 KRXFMHVHBPRTTH-ZWKOTPCHSA-N 444.482 2.212 10 10 IECE COC(=O)C1CC2(C1)C[C@@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)CCO2 1685251097 VMDHIXMGSMNEFQ-MCGOBGFWSA-N 432.565 2.155 10 10 IECE CC(C)c1nnc(N2CCc3nn(C)c(=O)cc3C2)n1Cc1ccc(N(C)C)c(F)c1 1691816604 TZMXEZIJKSWBOC-UHFFFAOYSA-N 425.512 2.311 10 10 IECE O=C1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCSc2nccs2)CCN1 1698527692 NZTZYERSJCUGDM-UHFFFAOYSA-N 445.530 2.428 10 10 IECE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)c3cc(-c4ccco4)n(C)n3)CC2)cc1 1869034900 UAJUQSLASJBHRS-MRXNPFEDSA-N 437.500 2.156 10 10 IECE O=C(CCN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S)NCCCn1ccnc1 2297500953 WDZHKCCBDNFKSY-UHFFFAOYSA-N 444.538 2.410 10 10 IECE CC(C)N1CCc2c(c3ccccc3n2CC(=O)Nc2ccc(C(=O)NCC(N)=O)cc2)C1 435756455 RFWFJAJXEDXXAB-UHFFFAOYSA-N 447.539 2.262 10 10 IECE COC(=O)[C@@H](O)C1CCN(CC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)CC1 749534817 DAYYRTCBOMPTFD-QFIPXVFZSA-N 428.485 2.251 10 10 IECE Cc1oc(C)c(S(N)(=O)=O)c1C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 769165901 WLLBCQQJSXIWJO-UHFFFAOYSA-N 446.573 2.006 10 10 IECE Cc1cc(Cn2nnc(C(=O)NCc3ccc(N4CCN(CC5CC5)CC4)cc3)c2C)on1 794414919 UPSQOCIVOGJSQE-UHFFFAOYSA-N 449.559 2.393 10 10 IECE COc1cc(N2CCN(C(=O)NCc3nccc(C(F)F)n3)CC2)cc(OC)c1OC 807609621 GELFPPWUHQKDGS-UHFFFAOYSA-N 437.447 2.472 10 10 IECE COc1ccc(N2CCN(C(=O)CS[C@H](C)C(=O)Nc3cc(C)on3)CC2)c(OC)c1 1132031963 DNVDNRBVPSRMNW-OAHLLOKOSA-N 448.545 2.409 10 10 IECE CC(C)[C@H]1C[C@@H](N2CCCC2)CN1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 1198620907 FVRGSOUZKJJYPC-NFBKMPQASA-N 432.584 2.473 10 10 IECE Cc1ccc([C@@H]2COCCN2C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)o1 1252843027 DIZJTMGCXXLMQG-IBGZPJMESA-N 433.530 2.106 10 10 IECE CN(C)c1ccc([C@@H](CNC(=O)NCc2cccc(N(C)S(C)(=O)=O)c2)N(C)C)cc1 1256237076 QEUXKYLXYMVJPX-OAQYLSRUSA-N 447.605 2.251 10 10 IECE CCc1nnc(N2CCC(OCCOC)CC2)n1Cc1ccc(N2CCOCC2)c(F)c1 1292994149 IXNCSQAICHVHIZ-UHFFFAOYSA-N 447.555 2.496 10 10 IECE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)CC1CC(NC(=O)OC(C)(C)C)C1 1296055532 VHSWBCAZAQTHHM-GPANFISMSA-N 436.505 2.382 10 10 IECE CC(C)[C@H](NC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)C1(CO)CC=CC1 1312985132 XXWZUOGABIMGNX-FQEVSTJZSA-N 435.590 2.074 10 10 IECE COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3CN(C)CCN3Cc3ccccc3)C2)cc1 1312994836 NTXZKFQRYDVAJJ-GMAHTHKFSA-N 437.588 2.389 10 10 IECE Cn1cc(-c2nnc(N3CCC(CC(N)=O)CC3)n2CCCSc2nccs2)cn1 1314900043 LYOQKORXIRUWOO-UHFFFAOYSA-N 446.606 2.409 10 10 IECE COC[C@@](C)(NC(=O)CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)C(=O)OC 1457883689 IPGKUWGKGGVQNQ-LMICACPXSA-N 440.518 2.111 10 10 IECE CC(C)C[C@H](NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)C(=O)N1CCOCC1 1470612682 GGNXVNJKOODTFD-RXVVDRJESA-N 432.565 2.157 10 10 IECE CCN(CC1CC1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N(C)C)c(F)c1 1502076041 PQKRESLWDCAESV-AWEZNQCLSA-N 438.573 2.378 10 10 IECE O=C(Cn1cnc(-c2ccccc2)cc1=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 1586864581 LKQOGDFRUDCGAX-UHFFFAOYSA-N 436.487 2.327 10 10 IECE CN(C)c1ccc([C@H](CNC(=O)C[C@@H]2CCCS2(=O)=O)NC(=O)OC(C)(C)C)cc1 1628491501 PDOKGUGBBSELGR-ROUUACIJSA-N 439.578 2.402 10 10 IECE COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1c[nH]n2c1nc(=O)c1ccccc12 1632701952 RGXWKBXNUAREFB-UHFFFAOYSA-N 440.843 2.350 10 10 IECE O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)N[C@@H]1CCOC2(CCOCC2)C1 1635997130 ZBGUWQUURJMNDB-MRXNPFEDSA-N 425.476 2.329 10 10 IECE COc1cc(N2CCN(C(=O)NCC(C)(C)C(=O)N3CCCC3)CC2)cc(OC)c1OC 1637563357 QLKDKZJYQRYWQG-UHFFFAOYSA-N 448.564 2.193 10 10 IECE COC(=O)[C@@H]1CN([C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C[C@@H](C)O1 1643822794 LQMAXKSYLMQLCE-CKNLXJGOSA-N 436.464 2.051 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NCC(C)(C)C3=CCOCC3)CC2)cc1 1648803582 PRVZSEHOUGMPOQ-CMDGGOBGSA-N 427.545 2.389 10 10 IECE CCOCc1nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n1Cc1ccc(N(C)C)cc1C 1696233546 BAMAWLOPQVYRQA-SJORKVTESA-N 437.610 2.495 10 10 IECE COc1ccc(N2CCN(c3nnc(C(C)C)n3CC(=O)NCC(F)F)CC2)cc1F 1711866417 YAEOQCGAPKGVQU-UHFFFAOYSA-N 440.470 2.257 10 10 IECE CCOCc1nnc(N2CC[C@H](N3CCCC3=O)C2)n1Cc1ccc(N(C)C)c(F)c1 1729028603 VRJHXTCISKLSQH-KRWDZBQOSA-N 430.528 2.269 10 10 IECE Cc1cc(N(C)C)ccc1Cn1c(-c2ccc[nH]2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1761697362 DAYLQFXSSZPURM-GOSISDBHSA-N 428.562 2.319 10 10 IECE CN(Cc1ccccc1O)c1nnc([C@@H]2CCC(=O)N2)n1CCCOC[C@H]1CCCO1 1768681139 DRZPILSMHRZBNQ-MSOLQXFVSA-N 429.521 2.157 10 10 IECE CCOC(=O)c1c(NC(=O)[C@H](O)[C@@H](O)C(=O)O)sc(C)c1-c1ccc(Cl)cc1 1865946116 ROSZZAUEOKYIGP-ZIAGYGMSSA-N 427.862 2.299 10 10 IECE COc1ccc(N2CCN(c3nc(=NCCCO)nc(Nc4ccc(C)cc4)[nH]3)CC2)cc1 1871476199 FVSOQEXBWYVPSO-UHFFFAOYSA-N 449.559 2.475 10 10 IECE Cc1cc(C)c2c(N)c(C(=O)OCC(=O)NC[C@H]3CN(CC(C)C)CCO3)sc2n1 28996987 NRKXJWHHTXSHMU-HNNXBMFYSA-N 434.562 2.125 10 10 IECE O=C1C[C@H]([C@H]2CCCCN2CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)CN1 764463339 DUYOSXUQNMSRJS-YCRPNKLZSA-N 431.492 2.391 10 10 IECE O=C(NCc1ccc(N2CCOCC2)cc1)C(=O)N1CCC[C@@H](CN2CCCCCC2)C1 788334052 WIPDKXITOOROQN-QFIPXVFZSA-N 442.604 2.254 10 10 IECE Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)c1 1115894965 QVVJYTBWNIFRCZ-UHFFFAOYSA-N 444.963 2.364 10 10 IECE C[C@H]1COCCN1CCNC(=O)CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S 1136688803 LGAAZRIHFGRMDL-VMOJBDSFSA-N 437.562 2.254 10 10 IECE O=C1CC(=O)N(c2ccc(F)cc2)N=C1C(=O)NCc1cccc(Br)c1O 1139974557 GUSJCAARQMTMSO-UHFFFAOYSA-N 434.221 2.272 10 10 IECE CN(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 1148705812 LRICWNOWZOSEQY-FQEVSTJZSA-N 434.581 2.109 10 10 IECE COc1ccc(N2CCN(C[C@H](O)CN[C@](C)(CO)Cc3ccc(Cl)cc3)CC2)cc1 1176600072 RRGMGZDCZIJFDK-VWNXMTODSA-N 448.007 2.415 10 10 IECE CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3c(O)cccc3O)CC2)cc1 1178906249 ZPDXCSMMNWSRLY-UHFFFAOYSA-N 434.514 2.214 10 10 IECE CN(C)c1ccc([C@H](CNC(=O)CN(C)[C@@H]2CCC[C@H]2O)NC(=O)OC(C)(C)C)cc1 1293802512 UHRYANYHSXWCRC-XUVXKRRUSA-N 434.581 2.280 10 10 IECE COc1ccc(N2CC[C@H](CNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)C2)cc1 1299769845 VVSXDEFUCFEGOY-CCMRYFRJSA-N 432.590 2.364 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3C[C@H](C)O[C@](C)(C(F)F)C3)CC2)cc1 1470274605 GNRZOGLITMMVEF-VJKDZHPOSA-N 437.487 2.171 10 10 IECE CN(CC(F)(F)C(F)(F)F)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1470752704 JIVPZDYDZJCGGT-UHFFFAOYSA-N 429.411 2.260 10 10 IECE COCCN(C)CCN1C[C@@H](NC(=O)c2cc(C)n(-c3ccccc3C)c2C)CC1=O 1556884734 JAJADQYSKXJOII-FQEVSTJZSA-N 426.561 2.311 10 10 IECE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NCc2cc(O)ccc2O)cc1 1558174167 GQSCJZIMPMJUGI-LJQANCHMSA-N 432.498 2.160 10 10 IECE CCC(=O)NC1CCN(CC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CC1 1560144011 PNALDNINVVLXSX-IAGOWNOFSA-N 434.556 2.046 10 10 IECE COc1ccc(N2CCCN(C(=O)c3cc(S(C)(=O)=O)c(OC)cc3N)CC2)cc1 1596964511 OIIWGLOOITVNEV-UHFFFAOYSA-N 433.530 2.042 10 10 IECE COc1ccc(N2CCCN(c3nnc(C)n3CC3(CS(C)(=O)=O)CC3)CC2)cc1 1619301184 ANOQUZACTRGHEI-UHFFFAOYSA-N 433.578 2.137 10 10 IECE C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3COCCN3CC(F)(F)F)cc2F)C[C@@H](C)O1 1626157986 HFOMIKSTSCVMSS-LBTNJELSSA-N 433.446 2.319 10 10 IECE CN(C)c1ccc([C@H](CNC(=O)CN2CCCCC(=O)C2=O)NC(=O)OC(C)(C)C)cc1 1629684660 ILJGGEPQCYOSRU-SFHVURJKSA-N 446.548 2.016 10 10 IECE COCCNS(=O)(=O)c1c[nH]c(C(=O)NCc2cc(C)n(-c3ccccc3)c2C)c1 1635331800 YAFMVVAACNPOFM-UHFFFAOYSA-N 430.530 2.277 10 10 IECE COC[C@@H]1C[C@@H](O)CN1C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 1644380362 HYIKWHSRCZTYNT-DZFVGJMKSA-N 426.585 2.338 10 10 IECE COCc1ccc([C@@H]2COCCN2CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)o1 1648385687 SKMCOSIWNYVOBR-NRFANRHFSA-N 447.507 2.091 10 10 IECE NC(=O)C1CCN(c2ccc(CNC(=O)N(CCO)Cc3cccnc3Cl)cc2)CC1 1684169985 YAMFMJJKVJCGCZ-UHFFFAOYSA-N 445.951 2.141 10 10 IECE C[C@@H]1CN(c2nnc(Cc3ccncc3)n2Cc2ccc(N(C)C)c(F)c2)CC(=O)N1C 1763157027 RKZUMVHEVPIYAD-MRXNPFEDSA-N 437.523 2.184 10 10 IECE 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CCN1C(=O)CO[C@H](C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)[C@H]1c1nccn1C 1461965871 FZJWBZUUKGQTPY-GOTSBHOMSA-N 449.555 2.475 10 10 IECE CC(C)(C)OC(=O)N[C@H]1CC=C(C(=O)N2CCn3ncc(I)c32)C1 1532731947 CWRLYKLJCJPNJW-NSHDSACASA-N 444.273 2.448 10 10 IECE CO[C@@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(N2CCCC2)cc1 1554604167 YBEJMWCABICLGH-HKUYNNGSSA-N 447.605 2.452 10 10 IECE Nc1ncnc2c1ncn2CCCC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 1595582517 DLSJHEBHIAJHMA-MRXNPFEDSA-N 443.939 2.329 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N[C@H](CO)CC3CCCCC3)CC2)cc1 1630424426 IREOYTCCQMLIKX-SGWGQVFISA-N 429.561 2.348 10 10 IECE COc1ccc(N2CC[C@@H](CNC(=O)CNC(=O)Nc3cccc([N+](=O)[O-])c3)C2)cc1 1639683565 QJTKJLZEQXWSBJ-HNNXBMFYSA-N 427.461 2.368 10 10 IECE COc1ccc(N2CC[C@H](NC(=O)CN3CCc4cc(OC)c(OC)cc4C3)C2)cc1 1640265025 GXGVOLOEPWELKX-IBGZPJMESA-N 425.529 2.466 10 10 IECE CCN(C1CCN(c2nnc(C)n2Cc2ccc(N(C)C)c(F)c2)CC1)S(C)(=O)=O 1709973825 FHMITXOVPOGJCF-UHFFFAOYSA-N 438.573 2.090 10 10 IECE 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CNC(=O)CCN(C)c1nnc(Cc2ccccn2)n1Cc1ccc(N(C)C)c(F)c1 1618774090 GLACHVYQDROICR-UHFFFAOYSA-N 425.512 2.090 10 10 IECE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@]1(C(=O)OC)C[C@H]1c1ccccc1 1624659599 YHXAKINKKCGVKC-QQMNAOGKSA-N 427.453 2.035 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NC[C@@H]3CCN3C3CCCCC3)CC2)cc1 1633048732 ZRZIWHYIQVANIJ-LEQVUBRHSA-N 440.588 2.423 10 10 IECE Cn1cc([C@H](CO)NC(=O)CCN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)cn1 1637654251 NHAOWMASERPTFM-MDNIKOHYSA-N 434.518 2.000 10 10 IECE CC(=O)c1cc(Cl)cc(CN2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)c1O 1642781557 BCOBFLYNGSZSQN-UHFFFAOYSA-N 443.875 2.199 10 10 IECE C[C@H]1CN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C[C@@H](CC(F)(F)F)O1 1655138241 JGAFYWXSNVWAME-GOEBONIOSA-N 433.446 2.320 10 10 IECE COc1ccc(N2CCN(C[C@H](O)CN3CCc4nc(C(C)(C)C)ncc4C3)CC2)cc1 1659532871 JQDXPEGGSKOZRT-NRFANRHFSA-N 439.604 2.324 10 10 IECE COc1ccc(N2CC[C@@H](NC(=O)N3CCO[C@@H](CNC(=O)OC(C)(C)C)C3)C2)cc1 1683782073 HZBWJDYAIRGNPR-APWZRJJASA-N 434.537 2.209 10 10 IECE Cc1cc(N(C)C)ccc1Cn1c(C)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1693004958 SZZGXUHXFJGFRQ-FQEVSTJZSA-N 432.594 2.014 10 10 IECE CC[C@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1743456334 UQLMDEZBFHYNTH-CVDCTZTESA-N 442.564 2.116 10 10 IECE CCOCCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1nnn(C)n1 1747336015 FUOKJWMESMBHEJ-UHFFFAOYSA-N 435.536 2.397 10 10 IECE CC[C@H](C)c1nnc(N2CCNC(=O)CC2)n1Cc1ccc(N2CCOCC2)c(F)c1 1761911030 HKBVEUASNWQRCB-INIZCTEOSA-N 430.528 2.142 10 10 IECE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)C(C)C)CC2)cc1 1862299090 ZDHACJFMDLKGQE-QFIPXVFZSA-N 425.529 2.433 10 10 IECE CCOCCCN1C(=O)C(=Cc2c(NCCO)nc3c(C)cccn3c2=O)SC1=S 2040500912 QVQJROKOABQXGU-UHFFFAOYSA-N 448.570 2.035 10 10 IECE COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC=C1C(=O)NC(=O)N(c2ccccc2)C1=O 2296311718 LUDWYMXAAHUFIT-LJQANCHMSA-N 432.436 2.009 10 10 IECE CCC(=O)N(CCOC)CC(=O)N1N=C(c2cccn2C)C[C@H]1c1ccc2c(c1)OCO2 50331529 FYCSZFKYPFVUBL-IBGZPJMESA-N 440.500 2.317 10 10 IECE C[C@H]1CN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CCS1(=O)=O 737879800 DPXAESDHWKKUDA-GVIGZQTCSA-N 444.625 2.375 10 10 IECE CCN(Cc1cc(Br)ccc1O)S(=O)(=O)c1cc(C(=O)NC)n(C)c1 751467119 PSXBZYVUNZYDHO-UHFFFAOYSA-N 430.324 2.064 10 10 IECE COc1ccc(N2CCN(C[C@H](O)CN(C)Cc3cn(C)nc3C(F)(F)F)CC2)cc1 754071458 RMTBNACWJIAMND-GOSISDBHSA-N 441.498 2.062 10 10 IECE COc1ccc(N2CCN(CCNC(=O)C(=O)N[C@@H](C)c3ccc(F)cc3F)CC2)cc1 774916646 HXRASHOHOGPKCE-INIZCTEOSA-N 446.498 2.089 10 10 IECE CCOC(=O)C[C@H]1C[C@@H](OC)CN1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 776117067 CMWVNHLPXIONDT-SJLPKXTDSA-N 437.512 2.039 10 10 IECE O=C(CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)NCc1ccc(N2CCCC2)cc1 920278678 TYQHHEOSDKXSSH-QHCPKHFHSA-N 432.524 2.379 10 10 IECE NC(=O)C1CCN(c2ccc(CNC(=O)c3cc(N4CCOC4=O)ccc3F)cc2)CC1 1133847919 VZIGCRAUSVWZBU-UHFFFAOYSA-N 440.475 2.414 10 10 IECE Cc1cc(N(C)C)ccc1Cn1c(-c2cccnc2)nnc1N1CCC(OCC(N)=O)CC1 1289422609 BMIZEJNTYZCTSF-UHFFFAOYSA-N 449.559 2.234 10 10 IECE O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)N1CCC(O)(CO)CC1 1300471990 CXIUVNVVYCLMTG-SDNWHVSQSA-N 426.585 2.075 10 10 IECE COc1ccc(N2CCN(CCCNC(=O)[C@@H]3CC(=O)N[C@@H]4CCCC[C@H]43)CC2)cc1 1352410025 OSVVUUAUKKIBHC-BHDDXSALSA-N 428.577 2.018 10 10 IECE CN(C)c1ccc([C@@H](CNC(=O)C2CN([C@H]3CCOC3)C2)NC(=O)OC(C)(C)C)cc1 1465325468 RFRVRATVAHJZAH-VQTJNVASSA-N 432.565 2.155 10 10 IECE CN(C)c1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)C[C@H]2CCCCO2)cc1F 1517000712 XBJVCQVVNGQPAE-SJLPKXTDSA-N 430.528 2.488 10 10 IECE COc1cc(N2CCN(C(=O)c3ccccc3Cn3ccnn3)CC2)cc(OC)c1OC 1521502156 NYLXHBHEFWYDQR-UHFFFAOYSA-N 437.500 2.315 10 10 IECE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCC1 1611050268 YDMGBLWRGZOLJF-YJBOKZPZSA-N 436.505 2.382 10 10 IECE NC(=O)C1CCN(c2ccc(CNC(=O)COc3ccc([N+](=O)[O-])c(F)c3)cc2)CC1 1616598271 IUYFVWAHRNMSAE-UHFFFAOYSA-N 430.436 2.131 10 10 IECE O=C(CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)NC[C@]1(O)CCSC1 1630752898 JTMIWVVYPUVERA-GIIHOQTISA-N 426.560 2.401 10 10 IECE CNC(=O)N[C@@H]1CCN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)C1 1632533454 YUJUSGVBWJKDSZ-XTCQQWIJSA-N 438.600 2.259 10 10 IECE COc1ccc(N2CC[C@H](NC(=O)COc3cc([N+](=O)[O-])c(C=O)cc3OC)C2)cc1 1640264633 DEKCSESHVRFLTG-HNNXBMFYSA-N 429.429 2.198 10 10 IECE C[C@@H]1CN(c2ccc(CNC(=O)CN3CCC4(CC3)C[C@@H](O)CCO4)cc2F)C[C@@H](C)O1 1655677301 NOGBFKCCIJKHGD-GGPKGHCWSA-N 449.567 2.061 10 10 IECE NC(=O)C1CCN(c2ccc(CNC(=O)N3CCCC[C@H]3CN3CCCC3=O)cc2)CC1 1676125191 ADOLNCYSLMIOMX-NRFANRHFSA-N 441.576 2.075 10 10 IECE CN(C)c1ccc([C@@H](CNC(=O)N2CCC([C@H](O)c3nccn3C)CC2)N(C)C)cc1 1685608604 DYRRDIBIHVXPOJ-RTWAWAEBSA-N 428.581 2.244 10 10 IECE CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(N(C)C)cc1C)[C@@H]1CCS(=O)(=O)C1 1709956033 KLJZMBPOOAYWGE-AZUAARDMSA-N 447.605 2.218 10 10 IECE CCN(C(=O)CN1C(=O)C(=Cc2cccc(F)c2)SC1=S)[C@H]1CCS(=O)(=O)C1 2296885831 KKETXXJBUGVOAD-AWEZNQCLSA-N 442.559 2.063 10 10 IECE O=C(Oc1cc(O)cc2c1C[C@@H](O)[C@@H](c1ccc(O)c(O)c1)O2)c1cc(O)c(O)c(O)c1 14642850 LVJJFMLUMNSUFN-DYESRHJHSA-N 442.376 2.177 10 10 IECE biogenic,in-vitro CN1CCN(NC(=O)CN2C(=O)/C(=C\c3c(Cl)cccc3Cl)SC2=S)CC1 33286164 IDQOMBUNOSBFKM-NTEUORMPSA-N 445.397 2.473 10 10 IECE COCCN1C(=O)/C(=C\c2c(N3CCSCC3)nc3ccccn3c2=O)SC1=S 102900138 PYYCAYUNRQRUQR-WYMLVPIESA-N 448.595 2.095 10 10 IECE COc1ccc(N2CCN(C[C@H](O)CN(C)[C@H]3CCN(Cc4ccccc4)C3)CC2)cc1 754072864 ZHAKKDVKXRZGOS-LOSJGSFVSA-N 438.616 2.384 10 10 IECE CCO[C@@H]1C[C@]2(NC(=O)N(Cc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)C2=O)C1(C)C 761121218 MXGOOJPDHFVXJC-PRCFCKQXSA-N 428.533 2.014 10 10 IECE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C1=NO[C@H](CNC(=O)OC(C)(C)C)C1 788629828 FVZGXONHVISKGF-SFHVURJKSA-N 432.521 2.151 10 10 IECE C[C@@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)N1CCC(c2nc(O)n[nH]2)CC1 808755194 IMJJIYWLNWSJQU-ZDUSSCGKSA-N 445.479 2.492 10 10 IECE COc1ccc(N2CCN(CCNC(=O)N3CC[C@@H](n4cc(Cl)cn4)C3)CC2)cc1 811869222 HWBNSUOAUTUEKE-LJQANCHMSA-N 432.956 2.324 10 10 IECE COC(=O)/C=C\c1ccc(N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)c([N+](=O)[O-])c1 913047288 QDGOJRSKPLKNPN-NBEHIINDSA-N 430.505 2.304 10 10 IECE COc1ccc(N2CCN(C[C@H](O)CN(C[C@@H]3CCCO3)[C@H]3CCSC3)CC2)cc1 1168887389 ZABNIZYBCNUYDS-FUDKSRODSA-N 435.634 2.165 10 10 IECE COc1ccc(N2CCN(C[C@H](O)CN3CCc4ccc(NC(C)=O)cc4C3)CC2)cc1 1175991224 CPWDIYKEFQRYGD-DEOSSOPVSA-N 438.572 2.195 10 10 IECE COc1ccc(N2CC[C@H](CNC(=O)NCCS(=O)(=O)CCc3ccccc3)C2)cc1 1235674730 YRKWJDAQYIDBEV-HXUWFJFHSA-N 445.585 2.478 10 10 IECE Cc1csc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)Cc2ccccc2O)n1 1304629705 PNIFIHUQYRXYQR-ZDUSSCGKSA-N 436.563 2.044 10 10 IECE COc1ccc(N2CCN(c3nnc(CC(C)(C)C)n3C[C@]3(O)CCOC3)CC2)cc1F 1315512927 QACXATLBEMPDSW-HSZRJFAPSA-N 447.555 2.492 10 10 IECE CC(C)(C)OC(=O)N1CCO[C@](C)(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 1356036657 LDWMWFVAQPUXPU-QFIPXVFZSA-N 437.512 2.305 10 10 IECE COc1ccc(N2CC[C@H](NC(=O)[C@H]3CCCN3S(=O)(=O)c3ccccc3)C2)cc1 1531730004 OWYAOKVIBOFACJ-LAUBAEHRSA-N 429.542 2.243 10 10 IECE CC1=CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc3c(c2)CCCN3C)CC1 1542807257 JDMGHKNGFOSIRK-QGZVFWFLSA-N 444.605 2.475 10 10 IECE COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)C[C@@H](CNC(=O)OC(C)(C)C)OC 1546152223 XRJZEANZTNDEOX-HNNXBMFYSA-N 444.912 2.477 10 10 IECE COCCN1CCN(c2nnc(C3CCC3)n2Cc2ccc(N(C)C)c(F)c2)CC1=O 1555590210 DNNHMVNNYMFNCR-UHFFFAOYSA-N 430.528 2.094 10 10 IECE COc1ccc(CNC(=O)N[C@H]2CC3(CN(C(=O)OC(C)(C)C)C3)n3ccnc32)c(O)c1 1565417380 GIXFIDMLUSEOAI-INIZCTEOSA-N 443.504 2.488 10 10 IECE O=C(C[C@@H]1CSc2ccccc2O1)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1585894140 HWOFREAXOKZNMN-GOSISDBHSA-N 432.567 2.481 10 10 IECE O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1ccc(N2CCC(O)CC2)c(F)c1 1628764343 OJBQZVIPGXXYFO-UHFFFAOYSA-N 445.451 2.133 10 10 IECE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C1(O)CN(C(=O)OCc2ccccc2)C1 1630181411 VKWAOAQONBKGKX-SFHVURJKSA-N 425.529 2.492 10 10 IECE O=C(CSCC(=O)N1CCCCC1)NCc1cc(F)c(N2CCOCC2)c(F)c1 1642297536 GCCBQYRFJYXGLB-UHFFFAOYSA-N 427.517 2.163 10 10 IECE CC(C)NC(=O)c1nnc(N(C)[C@@H]2CCSC2)n1Cc1ccc(N2CCOCC2)cc1 1706583217 KCMRDPKIYBIAIZ-LJQANCHMSA-N 444.605 2.243 10 10 IECE CCOCc1nnc(N(C)Cc2ccc(N3CCOCC3)cc2)n1Cc1cc(C)nn1C 1747029610 GUEVPJKPGYJNHN-UHFFFAOYSA-N 439.564 2.378 10 10 IECE CC(=O)NC[C@@H]1CCCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(N(C)C)c(F)c2)C1 1760660052 RUHKVBUIFMOAIU-OALUTQOASA-N 444.555 2.388 10 10 IECE O=C1CCN(c2nnc(Cc3cccnc3)n2CCCSc2nccs2)CCN1 1770848639 PZZCXXBFUHKRPJ-UHFFFAOYSA-N 429.575 2.229 10 10 IECE CCOC(=O)c1c(NC(=O)C(=O)NCCOCCO)sc(C)c1-c1ccc(F)cc1 1860759631 ZISZLUHOVJEXAI-UHFFFAOYSA-N 438.477 2.103 10 10 IECE O=C(O)COc1ccc(C=C2SC(=S)N(NC(=O)c3cccc(O)c3)C2=O)cc1 2314927130 ZZNGHNMNQNUMMC-UHFFFAOYSA-N 430.463 2.402 10 10 IECE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)NCc2c(O)ccc3c2CCCC3)CC1 769560516 NZUCCUGIOCTJBZ-UHFFFAOYSA-N 446.573 2.328 10 10 IECE Cn1c(=O)ccc2ccc(NC(=O)C(=O)NCc3ccc(N4CCC(CO)CC4)cc3)cc21 787469055 FSRIZKASFHVQKO-UHFFFAOYSA-N 448.523 2.002 10 10 IECE CCN(CC)S(=O)(=O)c1cc(C(=O)NCc2cc(Br)ccc2O)n(C)c1 804733077 CVPLUTGHZWLFFM-UHFFFAOYSA-N 444.351 2.454 10 10 IECE O=C1CCc2cccc(C(=O)OCC(=O)NCc3ccc(N4CCOCC4)c(F)c3)c2C1 811425861 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Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1ccc(S(=O)(=O)N[C@@H](C)CO)cc1 1299478589 PGSHBZWNNHSVEW-IRXDYDNUSA-N 433.574 2.081 10 10 IECE O=C(NCc1ccc(N2CCN(CC3CC3)CC2)cc1)NC[C@@H](CO)CC1CCOCC1 1320823774 SCZLMICFEXNJFW-QHCPKHFHSA-N 444.620 2.443 10 10 IECE COc1cc(N2CCN(C(=O)[C@]3([C@H]4CCCCO4)CCCO3)CC2)cc(OC)c1OC 1435840469 GTCCPDOLTZMWHB-NFBKMPQASA-N 434.533 2.479 10 10 IECE CCc1nnc(N2CCCN(c3ccc(OC)cc3)CC2)n1C[C@@H]1CCCS(=O)(=O)C1 1499100523 VELZLKROJUYRAJ-SFHVURJKSA-N 447.605 2.391 10 10 IECE COc1ccc(N2CCN(CCCNC(=O)c3c(Br)cnn3C)CC2)cc1 1524982497 SXZXWHORLHEUEX-UHFFFAOYSA-N 436.354 2.133 10 10 IECE COc1ccc(N2CC[C@H](NC(=O)[C@H]3CCCN(S(=O)(=O)c4ccccc4)C3)C2)cc1 1538746320 JIDCZXBODJFWDF-OALUTQOASA-N 443.569 2.491 10 10 IECE Cc1nnc(N2CCC(NC(=O)C(C)C)CC2)n1Cc1ccc(N2CCOCC2)cc1 1543234434 VGOGWRKPIPKCBV-UHFFFAOYSA-N 426.565 2.212 10 10 IECE CCc1nnc(N(C)Cc2ccc(N3CCOCC3)cc2)n1C[C@@H]1NC(=O)CC1(C)C 1546418844 OZKBYWYSXQKGNF-IBGZPJMESA-N 426.565 2.228 10 10 IECE 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COc1ccc(N2CC[C@@H](NC(=O)c3cn([C@H]4CCS(=O)(=O)C4)nc3C(C)C)C2)cc1 1585989198 RJMVUMGJCUUCRW-AEFFLSMTSA-N 446.573 2.383 10 10 IECE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)CCc3ccccc3)CC2)c(OC)c1 1595997374 SBBURLWBPNDFGF-GOSISDBHSA-N 425.529 2.490 10 10 IECE CN1CCN(c2ccc(CNC(=O)[C@H]3CC(=O)N(c4ccc(F)cc4F)C3)cc2)CC1 1596523935 XAZRLTRINFVXSP-KRWDZBQOSA-N 428.483 2.386 10 10 IECE COc1ccc(N2CCN(C(=O)C[C@H](NC(N)=O)c3cccc(C)c3)CC2)c(OC)c1 1634886114 FHZOUOTWJRNQOK-IBGZPJMESA-N 426.517 2.461 10 10 IECE COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 1638649662 MTUKODJNVUAWOL-QFBILLFUSA-N 449.548 2.484 10 10 IECE Cc1cc(C(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)c(C)n1-c1ccc(Br)cn1 1639934340 MWEJOWAPXJJSFE-IBGZPJMESA-N 446.305 2.066 10 10 IECE NC(=O)C1CCN(c2ccc(CNC(=O)N3CCC[C@H](N4CCCC4=O)CC3)cc2)CC1 1684169714 QKHWTAKVWZZTHH-NRFANRHFSA-N 441.576 2.075 10 10 IECE Cc1cccc(C)c1OC[C@@H](O)CNC(=O)NCc1ccc(N2CCN(C)CC2)cc1 1684873019 CTYCZDMWXBFNHG-QFIPXVFZSA-N 426.561 2.294 10 10 IECE O=C(NCc1ccc(N2CCC(O)CC2)cc1)NCc1ccncc1OC[C@@H]1CCOC1 1686683824 ODXHDOSKGBKGRT-LJQANCHMSA-N 440.544 2.457 10 10 IECE CC[C@H]1C(=O)NCCN1c1nnc(-c2cnccn2)n1Cc1ccc(N(CC)CC)cc1 1694783881 JYQGPQHBDMZNFX-FQEVSTJZSA-N 434.548 2.344 10 10 IECE Cc1ccc(-c2nnc(N(C)Cc3ccccc3O)n2CC2(C(N)=O)CCOCC2)o1 1707345724 DLBBMTFVFZHHTC-UHFFFAOYSA-N 425.489 2.471 10 10 IECE CN(Cc1ccccc1O)c1nnc(Cc2cccnc2)n1CC(=O)NCC(F)(F)F 1711096512 KXVZZOGVNZRRDF-UHFFFAOYSA-N 434.422 2.284 10 10 IECE COCC(=O)N1CCN(c2nnc(C3CCC3)n2Cc2ccc(N(C)C)cc2C)CC1 1730413630 BJZFWXPJVCXLDJ-UHFFFAOYSA-N 426.565 2.263 10 10 IECE Cc1cc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2CCC(=O)N(C)C)c(C)n1-c1ccccc1 1751409036 SSVMTIPMXZOHLS-SFHVURJKSA-N 449.559 2.143 10 10 IECE Cc1cc(CCNC(=O)NC2CCN(CC(=O)N(C)C)CC2)c(C)n1-c1ccccc1 731757885 YIFCWUJVHXWLHV-UHFFFAOYSA-N 425.577 2.488 10 10 IECE Cc1cc(N(C)C)ccc1CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C 734407452 WWDMJEGXZWGMSM-UHFFFAOYSA-N 431.558 2.320 10 10 IECE CC(C)c1noc(CCCNC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)n1 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439.537 2.428 10 10 IECE CS(=O)(=O)C[C@H](NC(=O)NCc1ccc(N2CCC(O)CC2)cc1)c1ccccc1 1230953668 IGVBQQDVGSZVKA-NRFANRHFSA-N 431.558 2.233 10 10 IECE CN(Cc1ccccc1O)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCCC1 1298363238 AUANJQUZOOBTKI-SFHVURJKSA-N 447.605 2.397 10 10 IECE C[C@H](C(=O)NCCCSc1nccs1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1443486385 BZVLHFVAMAHUHY-CYBMUJFWSA-N 428.580 2.209 10 10 IECE COc1cc(N2CCN(C(=O)c3cc4c(nc3O)CCC[C@H]4O)CC2)cc(OC)c1OC 1447451848 XCVYRCZMIUVPOC-GOSISDBHSA-N 443.500 2.145 10 10 IECE CC(C)(CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)[C@@H]1COCC12OCCO2 1478798460 QHNMQRVKYJMSAX-QUCCMNQESA-N 434.533 2.499 10 10 IECE COc1cc(N2CCN(C[C@@H](O)c3cc(Br)no3)CC2)cc(OC)c1OC 1559733007 ZGUNGYNMYXWGDX-CYBMUJFWSA-N 442.310 2.319 10 10 IECE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)NC[C@@H](O)c1ccccc1Cl 1565043691 CGAUZNJDLWYNRI-LJQANCHMSA-N 437.949 2.108 10 10 IECE CCOCCCNC(=O)C1CCN(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1 1565056254 SHUWWPUBHIPCOX-IBGZPJMESA-N 432.565 2.238 10 10 IECE 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CCOCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2CC)[C@@H]1c1ccc(O)c(O)c1 1864020740 GISLAAMISUNPSV-KRWDZBQOSA-N 430.505 2.114 10 10 IECE CCCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)O[C@H](C)C1)=C(N)O2 1865029423 MQTVQNGUZYNMTR-VFVRVIDISA-N 442.516 2.114 10 10 IECE COCC(=O)NC1CCN(C(=O)Cn2c3c(c4ccccc42)CN(C(C)C)CC3)CC1 683440833 YBMBFKMWZAWTGV-UHFFFAOYSA-N 426.561 2.161 10 10 IECE COCCOc1cc(NS(=O)(=O)c2cc(F)cc(F)c2O)c(C(=O)O)cc1OC 753020265 PRCOCRHVYZRFNB-UHFFFAOYSA-N 433.385 2.203 10 10 IECE O=C(CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)N[C@@H]1[C@H]2COC[C@H]21 794225822 HARCPHOJXKHBQO-RQIMFVIISA-N 439.356 2.411 10 10 IECE COC(=O)C1(CS(=O)(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)CCCC1 809829309 DMTWSAJYHHPWEL-UHFFFAOYSA-N 449.617 2.371 10 10 IECE CC(=O)[C@@H]1[C@H]2c3ccccc3O[C@@]1(C)N=c1sc(=Cc3ccc(N(C)C)cc3)c(=O)n12 1084120585 GOVXDZKTTZWQHH-PQNGQFLHSA-N 433.533 2.341 10 10 IECE C[C@H]1CCN(C(=O)c2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2O)CCO1 1178406811 YXWCIHYXYADYGU-ZDUSSCGKSA-N 435.458 2.352 10 10 IECE C[C@@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)N1CCC([C@@H](F)C(N)=O)CC1 1196962894 UURPEBYVPPDXFG-RNODOKPDSA-N 437.471 2.324 10 10 IECE C[C@H]1CN(CCCn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2ccccc2O)C[C@@H](C)O1 1291291783 UVXQQODOXFNMBW-ZIFCJYIRSA-N 442.564 2.071 10 10 IECE Cn1cc(Br)c(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1=O 1293929090 OYLLWKMBQWUZBA-UHFFFAOYSA-N 434.334 2.287 10 10 IECE CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1cc(C)n(-c2ccccc2Br)c1C 1300577182 XHLIJWFSUDJKIQ-NVXWUHKLSA-N 441.347 2.398 10 10 IECE CCN(CC)c1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)CCOC)cc1 1313681471 SECQSLWEXPEUQP-GOSISDBHSA-N 435.594 2.157 10 10 IECE CN1CC[C@](O)(Cn2c(N(C)Cc3ccc(N4CCOCC4)cc3)nnc2C(C)(C)C)C1 1314927986 NNBGEBAHQVFNNC-XMMPIXPASA-N 442.608 2.115 10 10 IECE Cc1ccc(C)c(C2=NO[C@H](C(=O)NCc3ccc(N4CCS(=O)(=O)CC4)cc3)C2)c1 1461459051 FNSJLNYMHCFLSH-QFIPXVFZSA-N 441.553 2.348 10 10 IECE Cc1cc(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)n(C2CCOCC2)n1 1526260086 RSPKKXXRLLVMQR-GOSISDBHSA-N 425.533 2.175 10 10 IECE C[C@H]1CN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(N(C)C)c(F)c2)CC(=O)N1C 1544890748 YYQCMVLLZBIOGG-RDJZCZTQSA-N 430.528 2.092 10 10 IECE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](CC(F)F)NC(=O)OC(C)(C)C 1556101887 ILHSYDOYCPKPTP-STQMWFEESA-N 446.447 2.237 10 10 IECE O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)N1CCC[C@@H](CN2CCOCC2)C1 1564895294 DDMJGMYHUSYTGN-KRWDZBQOSA-N 438.519 2.055 10 10 IECE COCC(COC)N1CCN(C(=O)Cn2c3c(c4ccccc42)CN(C(C)C)CC3)CC1 1584964579 HLEOYEOXGCCXSH-UHFFFAOYSA-N 442.604 2.213 10 10 IECE CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N1Cc3cccc(O)c3C1)n2C 1587927986 DUKWWFAHZLXPRW-UHFFFAOYSA-N 428.514 2.004 10 10 IECE O=C(COc1ccc(Br)cc1)N1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 1617232969 OIOYHSDAMVOCFC-UHFFFAOYSA-N 449.301 2.153 10 10 IECE CN(Cc1ccccc1O)c1nnc([C@@H]2CCCCO2)n1CC1(C(N)=O)CCOCC1 1711095215 FFRFEMQVQMVESU-SFHVURJKSA-N 429.521 2.144 10 10 IECE COc1ccc(N2CCN(c3ncnc(-n4nnc5ccccc54)c3[N+](=O)[O-])CC2)cc1 40611303 SSMYQYBDDPLGQM-UHFFFAOYSA-N 432.444 2.454 10 10 IECE CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)c(OCC(=O)O)c2C)cc1 726155748 ZADUCBAAVAPTFG-UHFFFAOYSA-N 442.515 2.329 10 10 IECE COCCCN(C(=O)/C=C\c1ccc(C)nc1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 754007167 ITUUQSUQIZYDGJ-QXMHVHEDSA-N 449.511 2.366 10 10 IECE NC(=O)c1cccc(CCNC(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)c1 768715079 ZIUMAMSSNJDIEI-UHFFFAOYSA-N 435.572 2.359 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C\C(=O)Nc3ccc(OCCO)c(C)c3)CC2)cc1 782848903 MULHTBCGWKATDD-KTKRTIGZSA-N 439.512 2.218 10 10 IECE O=C(CNS(=O)(=O)c1ccc(Cl)s1)NCc1cc(Br)ccc1O 804735270 SIEZBEGXNGICBO-UHFFFAOYSA-N 439.740 2.464 10 10 IECE CN(CCN1CCN(Cc2ccccc2)CC1)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 804787947 TVHYLKKCTPAJJP-UHFFFAOYSA-N 425.489 2.180 10 10 IECE COc1ccc(N2CC[C@@H](NC(=O)c3cnn(CC(=O)NC4CCCCC4)c3)C2)cc1 1166216272 NNAFILRMUNDIEA-LJQANCHMSA-N 425.533 2.349 10 10 IECE COc1ccc(N2CCN(C[C@@H](O)CN3CCn4nc(C(C)(C)C)cc4C3)CC2)cc1 1176735175 NSNBKHPHQRJFAR-OAQYLSRUSA-N 427.593 2.188 10 10 IECE C[C@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C(=O)NCCc1ccccc1 1251501180 NOQXSHCBIFLCFO-AVRDEDQJSA-N 425.577 2.402 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N[C@@H](CC(=O)OC(C)C)C(C)C)CC2)cc1 1300044500 YCHDWXLSRJFYNP-ZJVMWOEPSA-N 445.560 2.383 10 10 IECE CC(=O)NC1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(N(C)C)cc2C)CC1 1301840930 RYBQETUWZKPWCP-UHFFFAOYSA-N 436.564 2.206 10 10 IECE CC(C)NC(=O)c1nnc(N(C)Cc2cnccn2)n1Cc1ccc(N(C)C)c(F)c1 1303335833 YZGDUEKQDFPQJU-UHFFFAOYSA-N 426.500 2.096 10 10 IECE CCN(C[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1)[C@@H]1CCN(CC(F)(F)F)C1 1307966154 UNHFZAYVMODLHB-WOJBJXKFSA-N 444.542 2.137 10 10 IECE COC(=O)[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCCSc2nccs2)C1 1315084367 VRWQSOSOASSGIO-CYBMUJFWSA-N 438.579 2.055 10 10 IECE COc1ccc(N2CC[C@@H](NC(=O)c3cc(Br)ccc3-n3cnnn3)C2)cc1 1532104714 DAUYGNWESMVIPY-CQSZACIVSA-N 443.305 2.442 10 10 IECE C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1 1540709334 LMYBBFGZDUNAOH-MRXNPFEDSA-N 431.558 2.217 10 10 IECE Nc1ncc(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1[N+](=O)[O-] 1541096830 DWZYSKRGBZHOBL-UHFFFAOYSA-N 425.367 2.357 10 10 IECE CN(C)c1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCC[C@H](CC(N)=O)C2)cc1F 1552830526 FOIRRGSVOSKJDP-NVXWUHKLSA-N 430.528 2.127 10 10 IECE O=C(Cn1nc(Br)c(Br)n1)NCc1ccc2cccnc2c1O 1557124252 XNFGYWDPYKJYJF-UHFFFAOYSA-N 441.083 2.373 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N[C@@]3(CO)CCCC(C)(C)C3)CC2)cc1 1557537231 AHOQSHHGANUVCA-DHSLYTQISA-N 429.561 2.348 10 10 IECE C[C@@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)N1CC[C@H](N(C)C(=O)N(C)C)C1 1560033022 HKAXUCWMKOFKNN-RDJZCZTQSA-N 448.523 2.477 10 10 IECE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@H](c1nccn1C)C(F)(F)F 1567306399 MYACHMNUCSDQCS-OLZOCXBDSA-N 429.395 2.158 10 10 IECE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cnn(-c2ccc(F)cc2)c1 1617143092 NMPCXALRANEEMP-UHFFFAOYSA-N 428.489 2.176 10 10 IECE COc1ccc(N2CC[C@@H](CNC(=O)c3cc(S(N)(=O)=O)cc(Cl)c3F)C2)cc1 1630618801 IFFOFBXXOXVRCF-LBPRGKRZSA-N 441.912 2.391 10 10 IECE COc1ccc(N2CCN(C(=O)C3=NOC4(C3)CN(C(=O)OC(C)(C)C)C4)CC2)cc1 1631277239 MVDMOAHXVFXDPX-UHFFFAOYSA-N 430.505 2.110 10 10 IECE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](O)c1cccc(Br)c1 1638030330 JFDFFNQOLKBADX-YOEHRIQHSA-N 438.274 2.184 10 10 IECE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)C[C@]34CC[C@@H](CC3=O)C4(C)C)cc2)CC1 1668582301 YEFBWPWYQYVVBP-WMZHIEFXSA-N 447.601 2.170 10 10 IECE O=C(NCc1ccc(-c2nncnn2)cc1)NCc1cc(F)c(N2CCOCC2)c(F)c1 1683195843 QEHMMZCYPPUUFE-UHFFFAOYSA-N 441.442 2.048 10 10 IECE CCOCc1nnc(N2CCCN(c3ccc(OC)cc3)CC2)n1CC(C)(C)C(=O)NC 1710722205 VCLSQXPWBGUBML-UHFFFAOYSA-N 444.580 2.312 10 10 IECE CNC(=O)N1CCN(c2nnc(-c3cccnc3)n2CCCSc2nccs2)CC1 1711409537 PYCJHNILTNHMDT-UHFFFAOYSA-N 444.590 2.440 10 10 IECE COc1ccc(N2CCN(c3nnc(CC(C)C)n3C[C@]3(O)CCOC3)CC2)cc1F 1711866406 XQTIZMVUFHCWEE-JOCHJYFZSA-N 433.528 2.102 10 10 IECE COC(=O)COc1cc(Br)c(/C=C2\C(=O)N(C)C(=S)N=C2O)cc1OC 33333059 PRPYVLIHLPGREP-WTKPLQERSA-N 443.275 2.106 10 10 IECE O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCC[C@H](C(=O)N2CCCC2)C1 732449735 NFDGRJUETPYMRT-SFHVURJKSA-N 432.540 2.331 10 10 IECE COc1ccc(N2CCN(CCNC(=O)N(CCN(C)C)Cc3ccc(C)o3)CC2)cc1 743362591 FYDUIUFEMRHLEZ-UHFFFAOYSA-N 443.592 2.492 10 10 IECE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)NCc1ccc(N2CCCC2)cc1 755049392 QOGWPRIQMFCQAN-IBGZPJMESA-N 430.549 2.419 10 10 IECE CS(=O)(=O)[C@H]1CCCCN(C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)C1 770765423 FFLJZTBFNBXNSI-QFIPXVFZSA-N 448.633 2.327 10 10 IECE CON(C)C(=O)C1CCN(C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)CC1 813122941 URSZSZMPLJDDOZ-UHFFFAOYSA-N 443.592 2.160 10 10 IECE COc1ccc(N2CC[C@H](NC(=O)C3(NC(=O)c4c(C)nn(C)c4C)CCCC3)C2)cc1 1166216320 ODHAOZQTFRHETI-SFHVURJKSA-N 439.560 2.483 10 10 IECE COCCNC(=O)[C@H]1CC[C@@H](C)N(c2nnc(C)n2Cc2ccc(N(C)C)cc2C)C1 1301940313 SYAZSXVTNSKWFG-XLIONFOSSA-N 428.581 2.377 10 10 IECE COC(=O)c1ccc(NC(=O)/C=C\C(=O)N2CCN(c3ccc(OC)cc3)CC2)s1 1440974684 VGXSSTSMDRFAQN-NTMALXAHSA-N 429.498 2.387 10 10 IECE CCOC(=O)CN(Cc1ccccc1O)C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 1469230077 FSNXITJDIZIMFR-KNBMTAEXSA-N 435.546 2.010 10 10 IECE Cn1[nH]c(C2CCN(C(=O)OC(C)(C)C)CC2)nc1=NC(=O)/C=C/c1ccc(O)c(O)c1 1472360818 YEXSLUNSDZSNFZ-SOFGYWHQSA-N 443.504 2.415 10 10 IECE CCOCCN(C)c1nnc([C@H]2CCOC2)n1Cc1ccc(N2CCOCC2)c(F)c1 1503191382 DYTRGEMNMFBHHN-SFHVURJKSA-N 433.528 2.279 10 10 IECE CN(Cc1ccccc1O)c1nnc([C@H]2CCOC2)n1CCCCN1CCC[C@@H]1CO 1503488224 RQVPJPYRXGSWPP-VQTJNVASSA-N 429.565 2.361 10 10 IECE CN(Cc1ccccc1O)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(C)CCOCC1 1517146042 DGYXHXUSEIPLKU-QGZVFWFLSA-N 434.562 2.339 10 10 IECE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cc(Br)cnc1F 1528187576 ZPZWOLWGLXZTOC-UHFFFAOYSA-N 442.310 2.148 10 10 IECE CC1CCN(c2ccc(CNC(=O)c3cc4c(=O)n(C)c(=O)n(C)c4s3)cc2)CC1 1543142704 KMADIAQHRRBWJM-UHFFFAOYSA-N 426.542 2.465 10 10 IECE CCNC(=O)C(C)(C)Cn1c(N(C)Cc2ccccc2O)nnc1[C@]1(OCC)CCOC1 1547751019 WALAONUHXFFROX-QHCPKHFHSA-N 445.564 2.435 10 10 IECE CCN(CC)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCOCC2)c(F)c1 1615400265 IIVFSMXQMLBXFN-UHFFFAOYSA-N 430.528 2.271 10 10 IECE CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)CNC(=O)Cc1ccc(O)cc1 1634381595 RYBFSZRTVXKIOS-UHFFFAOYSA-N 441.528 2.440 10 10 IECE CCc1noc([C@H]2CC[C@H](NC(=O)NCc3ccc(N4CCS(=O)(=O)CC4)cc3)C2)n1 1683897148 VZHPQLDAXNJLLQ-IRXDYDNUSA-N 447.561 2.002 10 10 IECE CN1CCN(c2ccc(CNC(=O)N3CCN(C(=O)Cc4ccccc4)CC3)cc2)CC1 1687441736 XFPUHQWAXUZINF-UHFFFAOYSA-N 435.572 2.035 10 10 IECE Cc1cc(N(C)C)ccc1Cn1c([C@@H]2CCCOC2)nnc1N(C)CCN1CCOCC1 1742141377 FGJKZWFSKOWHDW-OAQYLSRUSA-N 442.608 2.363 10 10 IECE CC(C)NC(=O)c1nnc(N2CCCO[C@H](C)C2)n1Cc1ccc2c(c1)CCCN2C 1761231436 UJGDLFFFEFWQFH-QGZVFWFLSA-N 426.565 2.462 10 10 IECE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)c3cccc(OC(C)=O)c3)CC2)cc1 1862115160 LZYNEYIZNLOSQN-UHFFFAOYSA-N 439.512 2.478 10 10 IECE COc1ccc(N2CCN(C(=O)CNS(=O)(=O)c3ccc(Cl)s3)CC2)cc1 749837719 GTXZXDAIPZHWHK-UHFFFAOYSA-N 429.951 2.037 10 10 IECE COc1ccc(N2CCN(C(=O)CCCC[C@@H]3SC[C@H]4NC(=O)N[C@H]43)CC2)cc1F 753741118 CODHLOREBFQDKK-IMFGXOCKSA-N 436.553 2.209 10 10 IECE CN(Cc1ccccc1)C(=O)N1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 761886132 HBURFWKNXHXUPV-UHFFFAOYSA-N 425.445 2.300 10 10 IECE CCO[C@@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)C[C@H]1CNC(=O)OC(C)(C)C 1171756030 CTZIEGAVAJJNBI-UYAOXDASSA-N 434.581 2.230 10 10 IECE O=C(NCc1ccc(N2CCC(O)CC2)cc1)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1 1301350057 KSIRDRBRXJNRED-HXUWFJFHSA-N 439.531 2.494 10 10 IECE Cc1ccc(-c2nnc(N(C)Cc3ccccc3O)n2CCOCCS(C)(=O)=O)o1 1304301208 RBCMNUYZSDAHBE-UHFFFAOYSA-N 434.518 2.250 10 10 IECE COC(=O)C[C@@H]1CN(c2nnc(C(C)C)n2CCCSc2nccs2)C[C@H]1O 1315105429 VJTMHYCCNOQSBY-ZIAGYGMSSA-N 425.580 2.401 10 10 IECE C[C@H]1CN(c2ccc(CNC(=O)c3cnc4c(c3)NC(=O)CN4C)cc2F)C[C@H](C)O1 1355131044 RSEMFWBBVQJJKE-KBPBESRZSA-N 427.480 2.153 10 10 IECE CCCN(CCC)S(=O)(=O)N1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1 1467804699 SOGCQMFNLPASBG-UHFFFAOYSA-N 441.575 2.437 10 10 IECE Cc1cccc(-n2c(C)cc(CNC(=O)c3cnc4c(c3)c(=O)n(C)c(=O)n4C)c2C)c1 1535136269 JOXRKZFNPCIKPG-UHFFFAOYSA-N 431.496 2.278 10 10 IECE CC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2CCCSc2nccs2)[C@H](C)C1 1540992026 OWZLPTFSTTYROY-GDBMZVCRSA-N 436.607 2.478 10 10 IECE NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)Cc3cccnc3Br)cc2)C1 1542180274 GBGRBRPRXJSMHH-INIZCTEOSA-N 431.334 2.405 10 10 IECE CCOCc1nnc(N(CC)CCS(C)(=O)=O)n1Cc1ccc2c(c1)CCCN2C 1548095834 HAYAVEYXFYMKDK-UHFFFAOYSA-N 435.594 2.116 10 10 IECE O=C(NCc1cc(Cl)ccc1O)c1sccc1S(=O)(=O)N1CCC(O)CC1 1557387888 ZLVVMTUXHQIJFI-UHFFFAOYSA-N 430.935 2.183 10 10 IECE CN(C)c1ccc([C@H](CNC(=O)N2CCOC[C@@H]2C[C@@H](O)c2ccco2)N(C)C)cc1 1565452964 OVMBDMUDOMDCAP-PCCBWWKXSA-N 430.549 2.482 10 10 IECE O=C(NCc1ccc(CN2CCS(=O)(=O)CC2)cc1)c1cc2cc(O)c(O)cc2s1 1570542205 PWYSETGZJJAWIB-UHFFFAOYSA-N 446.550 2.473 10 10 IECE CC1=C(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)[C@@H](C)n2nnnc2N1C 1584356335 ISZQWAPNSRUSBL-CYBMUJFWSA-N 433.463 2.345 10 10 IECE CN(C)c1ccc([C@H](CNC(=O)[C@]23C[C@H]4C[C@H](C(=O)N2)[C@H]3C4)NC(=O)OC(C)(C)C)cc1 1618253078 JOGUGXJHMOYXMX-MEUWBPCPSA-N 442.560 2.349 10 10 IECE NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3cc(O)ncc3Br)cc2)C1 1626339076 OFSCTUUBIKISOH-CYBMUJFWSA-N 433.306 2.181 10 10 IECE NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3c[nH]c4cc(F)c(F)cc4c3=O)cc2)C1 1626339273 QSAPTMMYOCSRIS-CQSZACIVSA-N 440.450 2.438 10 10 IECE C[C@H](C(=O)NCc1ccc(N2CCN(C)CC2)cc1)N1CCN(c2ccc(F)cc2)CC1 1636779547 LBAANDCSASLUEG-HXUWFJFHSA-N 439.579 2.404 10 10 IECE Cn1nccc1[C@@H](O)CNC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 1639196558 WIAGZOYDJARODM-QTNMRXCUSA-N 436.584 2.313 10 10 IECE COc1ccc(N(C)CCN(C)C(=O)NC[C@@H]2COCCN2C(=O)OC(C)(C)C)cc1 1675091011 WYAZZGJFUHGGAP-GOSISDBHSA-N 436.553 2.409 10 10 IECE COc1ccc(N2CC[C@H](NC(=O)N(C)C[C@H](O)CN(C)C(=O)OC(C)(C)C)C2)cc1 1683788156 UFIMKIYMZQSQBI-WMZOPIPTSA-N 436.553 2.143 10 10 IECE NC(=O)C1CCN(c2ccc(CNC(=O)N[C@H]3COc4cc(F)ccc4C3)cc2)CC1 1687104066 DUTFUJOOIYVBAG-LJQANCHMSA-N 426.492 2.330 10 10 IECE CCc1nnc(N2CCN(c3ccc(OC)c(F)c3)CC2)n1CCCC(=O)NC1CC1 1694733919 DFLIPISUCBEKEO-UHFFFAOYSA-N 430.528 2.374 10 10 IECE COCC[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(N(C)C)c(F)c2)C1 1749641556 LYXNIFHNJJSIDV-YJBOKZPZSA-N 430.528 2.345 10 10 IECE C[C@H]1COC(C)(C)CN1c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N(C)C)c(F)c1 1750357477 KQYQPLMFWCWYKI-YOEHRIQHSA-N 430.528 2.486 10 10 IECE CCN(CC)c1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CC(=O)N(C)C[C@@H]2C)cc1 1764934489 AWAQMTAKNSEWLH-KRWDZBQOSA-N 436.564 2.240 10 10 IECE CC(=O)c1ccc(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCOCC2)cc1 1858074608 NXCSOWNKTQBTPB-QFIPXVFZSA-N 431.558 2.307 10 10 IECE O=C(O)CCOc1ccc(C=C2SC(=S)N([C@H](CCC(=O)O)C(=O)O)C2=O)cc1 2314927699 JNTPZHGYVXMOCS-GFCCVEGCSA-N 439.467 2.059 10 10 IECE COCCCNc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(CCOC)C1=O 34808221 LKCJGLCFZPFWKA-NTCAYCPXSA-N 448.570 2.299 10 10 IECE Cn1cc([C@H](NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C(F)(F)F)cn1 772773345 HLLAMWXGDPWABU-YOEHRIQHSA-N 438.454 2.225 10 10 IECE COc1cccc(CS(=O)(=O)NC(=O)c2ccc(NC(=O)C3=S=CC=C3)c(C)c2)c1 785115598 IIODUVHQWLZIDL-UHFFFAOYSA-N 444.534 2.480 10 10 IECE CN(CCCO)C(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 799795763 ILGGMYXFYSJCDC-UKTHLTGXSA-N 429.361 2.491 10 10 IECE C[C@H](NC(=O)c1cn(CCNC(=O)OC(C)(C)C)nn1)c1ccc(N2CCOCC2)cc1 1125451260 FZEPAZLJZXOUJI-INIZCTEOSA-N 444.536 2.130 10 10 IECE COC(=O)c1ccc(CNC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)cn1 1148765708 CPIRUYGQWQDSQE-UHFFFAOYSA-N 447.494 2.366 10 10 IECE CCOC(=O)N1C[C@@H](CO)[C@@H](NC(=O)c2ccc(C)c(-n3c(C)cc(C=O)c3C)c2)C1 1180244370 NOPFKRLOSDCZSV-PMACEKPBSA-N 427.501 2.394 10 10 IECE NC(=O)C1CCN(c2ccc(CNC(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)cc2)CC1 1288913388 URNCKFZZXLFMGE-OAQYLSRUSA-N 434.540 2.053 10 10 IECE CC[C@H](C)c1nnc(N2CCO[C@@H](CNC(C)=O)C2)n1Cc1ccc(N(C)C)c(F)c1 1305556943 AJKYHIZINSXWQF-YJBOKZPZSA-N 432.544 2.386 10 10 IECE CCOC(=O)c1c(NC(=O)CN2C[C@H]3C(=O)NC(=O)[C@H]3C2)sc(C)c1-c1ccccc1 1307784564 DJZCZKNCJQHIGC-GASCZTMLSA-N 441.509 2.043 10 10 IECE COC[C@H](NCC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)C1CCOCC1 1307924177 OBHIBJQYSQCKQX-FVJLSDCUSA-N 437.556 2.087 10 10 IECE COC(=O)[C@@H]1CCCN(CC(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)C1=O 1360068710 KGLPFNQBDFRJGB-MRXNPFEDSA-N 429.439 2.055 10 10 IECE COC(=O)C1([C@@]2(O)CCCN(C(=O)N[C@@H]3CCN(c4ccc(OC)cc4)C3)C2)CCC1 1478957560 QKXNHSGAWNOHLR-UZUQRXQVSA-N 431.533 2.154 10 10 IECE COc1ccc(OC)c2c1CN(C(=O)NCc1ccc(N3CCN(C)CC3)cc1)C[C@H]2O 1479185249 DJDKBZSUVPTKHS-HXUWFJFHSA-N 440.544 2.214 10 10 IECE CCN(CC)c1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCC[C@@H](C(N)=O)C2)cc1 1547447170 PYEXBLQTLBDZIG-MOPGFXCFSA-N 426.565 2.378 10 10 IECE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@@H](C)c3ccccc3)CC2)cc1 1586834816 CGLKLNROMLQBOJ-SFHVURJKSA-N 431.558 2.067 10 10 IECE CCOCc1nnc(N2CCN(c3ccc(OC)c(F)c3)CC2)n1Cc1ccn(C)n1 1616916429 UFMRAPBDAWOYKI-UHFFFAOYSA-N 429.500 2.071 10 10 IECE C[C@@H]1CN(c2ccc(CNC(=O)c3cc(S(N)(=O)=O)c(Cl)o3)cc2F)C[C@@H](C)O1 1626159384 XBPKWQQSSAROEL-GHMZBOCLSA-N 445.900 2.263 10 10 IECE C[C@@H](NC(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)c1ccccc1O 1638339782 BREUCYNBXQOERM-CABCVRRESA-N 441.550 2.177 10 10 IECE C[C@@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)N1CCC[C@](O)(CN(C)C)C1 1643601243 YOUVEPPKHPINJI-LMKMVOKYSA-N 435.524 2.178 10 10 IECE C[C@@H]1C[C@@H](C)N(CC(=O)NCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)C1 1644681062 AAWNXFFDUDRGHD-SDKMPEEESA-N 447.582 2.463 10 10 IECE O=C(NCc1c(O)cccc1F)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 1646028200 BPIFVQSEGOBPHQ-CYBMUJFWSA-N 437.449 2.157 10 10 IECE CC(C)(C)OC(=O)N[C@@]12CCC[C@H]1CN(C(=O)c1cc(NS(C)(=O)=O)ccc1O)C2 1647271234 OOAPBHXOHSUYKH-RNODOKPDSA-N 439.534 2.283 10 10 IECE COCCN1C[C@H](Cn2c(-c3ccccn3)nnc2N(C)Cc2ccccc2O)CC1=O 1698075861 FTHSJIRILXWNAE-QGZVFWFLSA-N 436.516 2.177 10 10 IECE CNC(=O)[C@H](C)CN(C)c1nnc(C(C)(C)C)n1Cc1ccc(N2CCOCC2)c(F)c1 1748098062 RFIHKPBFAUPBOW-MRXNPFEDSA-N 446.571 2.418 10 10 IECE C[C@H](NS(C)(=O)=O)c1nnc(N2CC=CCC2)n1CCCSc1nccs1 1751211566 KSDVXLMMWOAGGU-ZDUSSCGKSA-N 428.609 2.294 10 10 IECE CCOCc1nnc(N2CCCN(c3ccc(OC)cc3)CC2)n1C[C@]1(O)CCSC1 1766376891 IGDLTVONLYMSTF-JOCHJYFZSA-N 447.605 2.408 10 10 IECE NS(=O)(=O)c1ccc(CN2C(=O)C(=Cc3ccc4c(c3)OCO4)SC2=S)cc1 2323686631 XGJWSZKCOLZZGE-UHFFFAOYSA-N 434.520 2.464 10 10 IECE COc1ccc(C(=O)NCC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1 108452677 ZDLXCKJEJOKQGI-HOTGVXAUSA-N 429.492 2.494 10 10 IECE CNC(=O)c1cccc(CCC(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)c1 751565257 UOSTYMUSMUEHOC-UHFFFAOYSA-N 438.572 2.316 10 10 IECE COc1nn(C)cc1NC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 789320002 GPWJKZKACONCEH-UHFFFAOYSA-N 440.483 2.006 10 10 IECE C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 807062051 CLXPNTQRTXXXLH-YKSBVNFPSA-N 441.620 2.223 10 10 IECE CN1CCN(CCC(C)(C)NC(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)CC1 1251751085 VLDYOMLCESYPLE-UHFFFAOYSA-N 439.551 2.017 10 10 IECE COc1ccc(N2CCN(CCNC(=O)c3nn(C)c(C)c3Br)CC2)cc1 1292282112 KVDVSSQSGAHOFA-UHFFFAOYSA-N 436.354 2.052 10 10 IECE O=S1CCN(c2nnc(Cc3ccncc3)n2CCCSc2nccs2)CC1 1316581146 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Cc1nc(Cc2nnc(N3CC[C@H](C(N)=O)C3)n2Cc2ccc(N(C)C)cc2C)cs1 1742574054 JRQMVVFBPJSCQZ-KRWDZBQOSA-N 439.589 2.368 10 10 IECE CCc1nnc(N2CCN(S(C)(=O)=O)CC2)n1Cc1ccc(N2CCC(C)CC2)cc1 1763135567 ORKWARASRGTJBK-UHFFFAOYSA-N 446.621 2.207 10 10 IECE CCOCc1nnc(N2CCO[C@H](C)C2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1766430747 QLKYQYDUANJCDM-GOSISDBHSA-N 429.565 2.297 10 10 IECE Cc1c(NC=C2C(=O)NC(=O)N(CCc3ccccc3)C2=O)c(=O)n(-c2ccccc2)n1C 2295923712 JWIFWYLWZFWNFW-UHFFFAOYSA-N 445.479 2.101 10 10 IECE CCN1C(=CC=c2sc(=C3SC(=S)N(C)C3=O)n(C)c2=O)Sc2ccccc21 2297298865 SDVBJXMVMVXRHK-UHFFFAOYSA-N 447.632 2.299 10 10 IECE COc1ncnc(N(C)C)c1NC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 768904793 ZNYCTGNGAXEFPO-UHFFFAOYSA-N 439.564 2.405 10 10 IECE COc1ccc(N2CCN(CCNC(=O)c3ccnc(O)c3Br)CC2)cc1 772152166 QORRZKQEYYYGDJ-UHFFFAOYSA-N 435.322 2.110 10 10 IECE CS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c(N)c1 1137439872 HZYLJUYJDLMVKW-HNNXBMFYSA-N 437.949 2.426 10 10 IECE O=C(NCc1ccc(N2CCSCC2)cc1)c1c[nH]nc1I 1141803962 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CCOC(=O)c1cnn2c(O)cc(CN[C@@](C)(CO)c3ccc(Br)cc3)nc12 796276941 ARKPKTDKTYTBGI-IBGZPJMESA-N 449.305 2.371 10 10 IECE C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1 918337874 QGWOHGCHJZEOLY-KKSFZXQISA-N 441.553 2.446 10 10 IECE COC(=O)[C@@H]1O[C@@H](C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)C[C@H]1C 1125132201 VKOWVVCYBUQZPT-CSMYWGQOSA-N 430.423 2.125 10 10 IECE CN(C)c1ccc([C@H](CNC(=O)N2CCN(C(=O)N3CCCCC3)CC2)N(C)C)cc1 1251500299 DJTWUDFUMWRQSR-NRFANRHFSA-N 430.597 2.288 10 10 IECE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N[C@@H]1CCN(C2CCCCC2)C1 1252850445 HFYSJBFZVJVLQA-LJQANCHMSA-N 434.606 2.128 10 10 IECE COc1ccc(N2CC[C@@H](NC(=O)c3ccc4c(c3)S(=O)(=O)N(C(C)C)C4=O)C2)cc1 1278861038 FJNOJLMOQPLOPA-MRXNPFEDSA-N 443.525 2.257 10 10 IECE CC(C)O[C@]1(c2nnc(N(C)Cc3ccccc3O)n2C[C@H]2COCCO2)CCOC1 1288286241 IAXRMBFZQUFFAA-PGRDOPGGSA-N 432.521 2.076 10 10 IECE CC(C)C[C@@H](C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1)N1CCCCC1=O 1288913604 ZKNANCLEIYFWHZ-NRFANRHFSA-N 428.577 2.432 10 10 IECE 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O=C(NCc1cc(O)ccc1O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 1651223186 YRBLOIHNGYCMGG-UHFFFAOYSA-N 430.526 2.304 10 10 IECE C[C@@H]1CN(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)C[C@@]2(CCCOC2)O1 1673472752 XSVRWFFGVQMCIV-QVKFZJNVSA-N 425.476 2.281 10 10 IECE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccccc2O)n1C[C@@]1(OC)CCOC1 1698232496 OGZBNMQQUUIWDP-JLMWRMLUSA-N 432.521 2.150 10 10 IECE O=C(O)CCOc1cccc(C=C2SC(=S)N(NC(=O)c3cccnc3)C2=O)c1 2314930748 IQTYQEIHELCKOE-UHFFFAOYSA-N 429.479 2.481 10 10 IECE Cc1ccccc1OC[C@@H](O)CN(Cc1ccc(N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 40313633 WBLBYMXUXXMQTO-YADHBBJMSA-N 432.586 2.490 10 10 IECE CCOC(=O)c1c(NC(=O)Cn2nc(C(N)=O)ccc2=O)sc(C)c1-c1ccccc1 726365233 KIVQKYDQSRAKRW-UHFFFAOYSA-N 440.481 2.195 10 10 IECE Cc1cc(N(C)C)ccc1CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 734500970 BCYOJKGHPIAECD-UHFFFAOYSA-N 437.587 2.324 10 10 IECE COC(=O)CC1(NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)CCS(=O)(=O)CC1 784756283 AGYDBYRHLWQMPN-UHFFFAOYSA-N 436.505 2.474 10 10 IECE CC[C@@H]1CN(CC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)C[C@@]2(CCOC2)O1 796556126 HKVSOBGIZSGCNT-YYTKYJTOSA-N 449.567 2.325 10 10 IECE CNC(=O)c1ccc(S(=O)(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1 917917284 FHPXKXRQRFYMSU-GASCZTMLSA-N 435.521 2.277 10 10 IECE C[C@@H](NC(=O)[C@@H]1CCCN(CC(=O)OC(C)(C)C)C1=O)c1ccc(N2CCOCC2)cc1 1125451287 GOAZWGRQMBDBCA-XLIONFOSSA-N 445.560 2.281 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C\C(=O)Nc3cnn([C@H]4CCCCO4)c3)CC2)cc1 1168266586 CAAGITZYBWVNQU-DJYGDJEFSA-N 439.516 2.434 10 10 IECE COC(=O)[C@H](NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(C)c(C)c1 1170949936 VNVIOKKDZKBBPU-HSZRJFAPSA-N 443.519 2.399 10 10 IECE COc1ccc(N2CC[C@@H](CNC(=O)NC[C@@]3(O)CCN(C(=O)OC(C)(C)C)C3)C2)cc1 1252117151 WPELXGPJRKZBIS-SBUREZEXSA-N 448.564 2.193 10 10 IECE CCN(C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1)[C@H](C)CS(=O)(=O)CC 1312833938 PUUNPYVVAJIREB-CQSZACIVSA-N 433.521 2.156 10 10 IECE Cc1ccc(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1N1CCOCC1 1356433604 OMNCTDURKKYJTH-OAQYLSRUSA-N 436.556 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CC(=O)N1CCN([C@@H]2CN(c3nnc(C)n3CCCSc3nccs3)C[C@H]2C)CC1 1722796972 APYHWNONHZNGNL-CRAIPNDOSA-N 449.650 2.214 10 10 IECE Cc1cc(N(C)C)ccc1Cn1c([C@@H]2CCOC2)nnc1N(C)CCCS(C)(=O)=O 1724234428 GQDKDHROQCZYMK-GOSISDBHSA-N 435.594 2.076 10 10 IECE CC(C)Cc1nnc(N2CCC[C@@H](C(N)=O)C2)n1Cc1ccc(N2CCOCC2)cc1 1741462542 SVIKWOLNSVDBAG-LJQANCHMSA-N 426.565 2.063 10 10 IECE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(N(C)C)cc2C)C1 1769162292 KXOGVFPCAHAJKY-QHCPKHFHSA-N 436.564 2.064 10 10 IECE CC[C@@H](C(=O)OC)N1C(=O)/C(=C2\SC(=S)N(CCC(=O)O)C2=O)c2ccccc21 1860826138 AXXXGZIWYIZWBM-ICFTUWFRSA-N 434.495 2.031 10 10 IECE CC(C)(C)OC(=O)N1C[C@H](NCc2ccc(Br)cc2O)[C@H](S(C)(=O)=O)C1 1877647623 LPIDVTCCAJBWFU-DZGCQCFKSA-N 449.367 2.277 10 10 IECE COC(=O)C1=C(C)N(C(C)C)C(=O)C1=Cc1ccc(OCC(=O)NC[C@H]2CCCO2)cc1 2313578061 HUXCPGWYCZRHNB-LJQANCHMSA-N 442.512 2.442 10 10 IECE Nc1ccc(O)c(CNS(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)c1 2364197658 NOWPEQDLZPLEMW-UHFFFAOYSA-N 431.514 2.250 10 10 IECE COc1ccc(N2CCN(c3ncnc(N(C)C4CCN(C)CC4)c3[N+](=O)[O-])CC2)cc1 40611276 AASSHQUMVFKIBB-UHFFFAOYSA-N 441.536 2.250 10 10 IECE O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc(-n2cc(Br)cn2)nn1 749356115 YAVMIHHGSSOITQ-UHFFFAOYSA-N 443.305 2.191 10 10 IECE COc1ccc(N2CCN(CCCNS(=O)(=O)c3ccc(N(C)C)cc3)CC2)cc1 755070612 KBLIDZLLDWPRJO-UHFFFAOYSA-N 432.590 2.252 10 10 IECE CC(C)N(C[C@@H](C)O)C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 758710252 RGRKJGJONLOLIP-QGZVFWFLSA-N 430.528 2.243 10 10 IECE Cc1cc(N(C)C)ccc1CNC(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 780834359 VIENGZPJJYZJID-UHFFFAOYSA-N 428.558 2.347 10 10 IECE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)c3cnccc3C(F)(F)F)cc2)CC1 786121660 JGHBUBIXUXJSGM-UHFFFAOYSA-N 442.463 2.247 10 10 IECE COc1ccc(N2CCN(CCCNC(=O)c3cc(-c4cccnc4)nn3C)CC2)cc1 1124516414 JFBNCZZGNOAFOP-UHFFFAOYSA-N 434.544 2.433 10 10 IECE Cn1cc(C(=O)CNC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)cn1 1179582767 AVKPSHXAJHBIJP-OVCLIPMQSA-N 434.568 2.462 10 10 IECE CN1CC[C@](Cc2ccccc2)(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)C1=O 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CN1CCN(N2C(=O)/C(=C\c3cn[nH]c3-c3cccc([N+](=O)[O-])c3)SC2=S)CC1 35518609 QCWWIWJFKSUHAY-XNTDXEJSSA-N 430.515 2.349 10 10 IECE O=C1CN(C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)CN1CC(F)(F)F 753615461 AFWDBYYUTDQKJB-UHFFFAOYSA-N 439.482 2.092 10 10 IECE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@@H]1CC[C@H](Cc2ccccc2)O1 1130979631 ARXSNTUQBOEZRJ-YADHBBJMSA-N 428.554 2.328 10 10 IECE C[C@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 1136546312 CWSUHYBYCRMIAE-IFXJQAMLSA-N 439.503 2.429 10 10 IECE COC[C@]1(C(=O)N2CCOc3cc(N(C)C)ccc32)CN(C(=O)OC(C)(C)C)CCO1 1136972524 PZYKXHHGOLBKGX-QFIPXVFZSA-N 435.521 2.131 10 10 IECE COc1ccc(O)c([C@H](C)NC(=O)c2cn(C)nc2CN2C(=O)c3ccccc3C2=O)c1 1137473891 ZWWJZINXCBGQBV-ZDUSSCGKSA-N 434.452 2.422 10 10 IECE NC(=O)C1CCN(c2ccc(CNC(=O)CCCNC(=O)c3ccsc3)cc2)CC1 1288912173 CEFBKJUFNCATKG-UHFFFAOYSA-N 428.558 2.276 10 10 IECE CCOCc1nnc(N2C[C@@H]3CCC(=O)N[C@H]3C2)n1Cc1ccc(N(CC)CC)cc1 1297114829 XKRNMXPRJFBPNX-ICSRJNTNSA-N 426.565 2.424 10 10 IECE CC(C)(CO)ONC(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 1298076078 BXGMYOUFWJBDGM-KPKJPENVSA-N 445.360 2.469 10 10 IECE COCCn1cc(Cn2c(Cc3ccccn3)nnc2N(C)Cc2ccccc2O)cn1 1301854457 TUGVSCXHQRUIPL-UHFFFAOYSA-N 433.516 2.497 10 10 IECE CC(=O)N1CCN(c2ccc(CNC(=O)CCS(=O)(=O)c3ccc(C)cc3)cc2)CC1 1466882602 NNHVDTMDDZTKJT-UHFFFAOYSA-N 443.569 2.144 10 10 IECE Cn1cc([C@@H]2CN(CC(=O)NCc3ccc(N4CCOCC4)c(F)c3)CC2(C)C)cn1 1473510980 WHUNHBCFKAHHSU-IBGZPJMESA-N 429.540 2.138 10 10 IECE COC[C@]1(C(=O)OC)CCCN1CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1473643124 OQUMXYBUMBXICU-DEOSSOPVSA-N 436.464 2.055 10 10 IECE COCCCN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCSCC2)cc1 1519049647 LGVJOBNINXGTSB-LJQANCHMSA-N 444.605 2.303 10 10 IECE NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@H]3CC[C@H](Nc4cnccn4)CC3)cc2)C1 1544930124 UFXKEWHFONFPKT-VAMGGRTRSA-N 436.560 2.465 10 10 IECE CN1CCN(c2ccc(CNC(=O)CC[S@](=O)c3ccc4c(c3)OCCO4)cc2)CC1 1589179575 OAOSQZWRCHZHFH-HKBQPEDESA-N 443.569 2.024 10 10 IECE 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CN(Cc1ccccc1O)c1nnc(C(=O)N2CCCC2)n1CCCO[C@H]1CCOC1 1298360628 UQYMFIJBIYAEQC-SFHVURJKSA-N 429.521 2.052 10 10 IECE CNC(=O)[C@H]1CCCN(c2nnc(CC(C)C)n2Cc2ccc(N3CCOCC3)cc2)C1 1299087279 RINRRQAGRCDIJF-FQEVSTJZSA-N 440.592 2.324 10 10 IECE CN(C)c1ccc([C@H](CNC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2)N(C)C)cc1 1304768789 PPOZAULRKMHWGX-FQEVSTJZSA-N 433.597 2.024 10 10 IECE COc1ccc(N2CCN(C(=O)C3(CNC(=O)OC(C)(C)C)CC(O)C3)CC2)c(OC)c1 1454474650 YAFCLHFNPRYDAC-UHFFFAOYSA-N 449.548 2.018 10 10 IECE CN(C)c1ccc([C@H](CNC(=O)[C@H](O)[C@@H](O)c2nc3ccccc3s2)N(C)C)cc1 1456934336 OROINOZWMOKCST-DFQSSKMNSA-N 428.558 2.176 10 10 IECE CN(Cc1ccccc1O)c1nnc([C@H]2CCCOC2)n1CCS(=O)(=O)CC1CC1 1517147690 LFZFUKKOOHCTDM-SFHVURJKSA-N 434.562 2.339 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CCN(C4CCCC4)[C@@H](C)C3)CC2)cc1 1595714396 VWABSGJGRMYIOT-SGWGQVFISA-N 440.588 2.375 10 10 IECE Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NC[C@H]2CCC[C@]23NC(=O)N(C)C3=O)cc1 1630612307 PYBTVJWRRRUYEG-DVECYGJZSA-N 436.512 2.286 10 10 IECE COc1cc(N2CCN(C(=O)NCc3nnc(C4CC4)s3)CC2)cc(OC)c1OC 1636184170 VMAPBJNZCLFADN-UHFFFAOYSA-N 433.534 2.473 10 10 IECE O=C(NCCCOc1cccc(F)c1)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1636796540 LCTKTXKIAMOKDY-UHFFFAOYSA-N 435.521 2.329 10 10 IECE Cc1cc(C(=O)N2CCCS(=O)(=O)C[C@H]2c2cnn(C)c2)c(C)n1-c1ccccn1 1645239784 POUNYVCGBZQING-IBGZPJMESA-N 427.530 2.225 10 10 IECE CC[C@@H]1C(=O)NCCN1c1nnc(C(C)(C)C)n1Cc1ccc(N2CCOCC2)c(F)c1 1709180163 AFTDOFAPHGHDKR-GOSISDBHSA-N 444.555 2.314 10 10 IECE Cc1cc(N(C)C)ccc1Cn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1761698542 YTPZTAIWSASUMT-AZUAARDMSA-N 447.605 2.218 10 10 IECE CCc1nnc(N2CCC(NS(C)(=O)=O)CC2)n1Cc1ccc(N(CC)CC)cc1 1763004283 TYDCOIGAZFMQAK-UHFFFAOYSA-N 434.610 2.253 10 10 IECE CCOC(=O)c1c(NC(=O)C(=O)NCCN2CCOCC2)sc(C)c1-c1ccccc1 1860760054 QMVFSSRCZKPISS-UHFFFAOYSA-N 445.541 2.287 10 10 IECE CC1CCN(c2ccc(CNC(=O)[C@H]3CCCN(c4cc(=O)n(C)c(O)n4)C3)cc2)CC1 2186023808 AODJEJRKANSYSP-IBGZPJMESA-N 439.560 2.255 10 10 IECE O=C(O)CCOc1cccc(C=C2SC(=S)N(CCCN3CCOCC3)C2=O)c1 2314930517 FJFTYWUPTVOEKX-UHFFFAOYSA-N 436.555 2.464 10 10 IECE COc1ccc(N2CCN(CCNC(=O)CCc3nc(-c4ccoc4)no3)CC2)cc1 739710521 COUBJUPSJXFTEI-UHFFFAOYSA-N 425.489 2.209 10 10 IECE COC(=O)/C=C\c1ccc(S(=O)(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 751227267 GOPHFSADUADNGQ-UITAMQMPSA-N 448.516 2.452 10 10 IECE O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N1CCN2C(=O)OCC[C@H]2C1 763478104 PDGIWBUUETUNCU-INIZCTEOSA-N 442.438 2.278 10 10 IECE O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cnn2cc(Br)cnc12 769711816 IQHUFMCUWSJPQO-UHFFFAOYSA-N 434.269 2.398 10 10 IECE COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3nc(C(C)C)cs3)CC2)cc1 789403842 DWCLGWKVAMKASR-UHFFFAOYSA-N 431.562 2.152 10 10 IECE CN(C)c1ccc([C@H](CNS(=O)(=O)c2cnc3n2CCC3)NC(=O)OC(C)(C)C)cc1 795249083 NWIXDRJVNOLFNL-KRWDZBQOSA-N 449.577 2.440 10 10 IECE CCc1nc([C@@H]2CCCCN2CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)no1 917079179 IEOWRYYKGPXMCI-IBGZPJMESA-N 431.512 2.451 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CCc4cccc(OC)c4C3)CC2)cc1 1140915724 LTVGWYMZHKQODB-ZHACJKMWSA-N 435.524 2.494 10 10 IECE C[C@H](NC(=O)C[C@H]1CS(=O)(=O)c2ccccc2O1)c1ccc(N2CCOCC2)cc1 1292236261 SCGMGGFFGQZFKS-LPHOPBHVSA-N 430.526 2.325 10 10 IECE CC[C@@H]1C(=O)NCCN1c1nnc(C(C)C)n1Cc1ccc(N2CCOCC2)c(F)c1 1293219448 QBZJUCSACMIBJI-GOSISDBHSA-N 430.528 2.140 10 10 IECE CN(C)C(=O)NCCN(C)C(=O)CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S 1466102145 VIQWMUDEJOOTTC-NTCAYCPXSA-N 438.550 2.147 10 10 IECE O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)N1CCN(Cc2ccccn2)CC1 1478786472 PXQKQOSYUFJXGP-UHFFFAOYSA-N 431.487 2.224 10 10 IECE CNC(=O)CCN(C)c1nnc(Cc2ccncc2)n1Cc1ccc2c(c1)CCCN2C 1503804478 QQSYCELYJCNEDU-UHFFFAOYSA-N 433.560 2.267 10 10 IECE CC[C@@](C)(O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1512672221 RGKOTIOLCRKXBP-OPAMFIHVSA-N 433.528 2.417 10 10 IECE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@H]3CCCC4(CC4)C3)CC2)cc1 1527890769 ASRAXWSGOZKVDU-SFHVURJKSA-N 435.590 2.234 10 10 IECE CNC(=O)[C@@H]1CN(c2nnc(CC(C)(C)C)n2Cc2ccc(N(C)C)c(F)c2)CCO1 1554446618 BFUBWZJLMASCKK-SFHVURJKSA-N 432.544 2.071 10 10 IECE C[C@@H](NC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@H]1CCCN(C2CCC2)C1 1564540750 JUBARXYKPGSZFE-QUCCMNQESA-N 448.633 2.374 10 10 IECE CC(=O)c1ccc(CCNC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1 1565043836 DQVNXUNNMZOVTJ-UHFFFAOYSA-N 429.542 2.166 10 10 IECE C[C@@H]1CN(C)C(=O)CN1c1nnc(Cc2ccccn2)n1Cc1ccc(N(C)C)c(F)c1 1612881072 LGCDZSXSYKVCAJ-MRXNPFEDSA-N 437.523 2.184 10 10 IECE CCOCc1nnc(N2CC[C@@]3(CCS(=O)(=O)C3)C2)n1Cc1ccc(N(C)C)cc1C 1616825973 WADFASWEBZXZRZ-JOCHJYFZSA-N 447.605 2.252 10 10 IECE CCS(=O)(=O)CCN(C)c1nnc([C@H]2CCOC2)n1Cc1ccc(N(C)C)cc1C 1617300350 WXJITWLJOSKPFV-SFHVURJKSA-N 435.594 2.076 10 10 IECE O=C(Cc1ccc(O)c(O)c1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 1624313341 HNFZNOAJPIXLST-UHFFFAOYSA-N 426.494 2.327 10 10 IECE O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)N[C@H]1CCCN2CCSC[C@@H]12 1635996527 DAKOQJPRBYIDSU-ROUUACIJSA-N 426.533 2.180 10 10 IECE C[C@H]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C[C@@H]1CNC(=O)OC(C)(C)C 1638472312 VMTDAQYWZAIDBR-KBPBESRZSA-N 441.550 2.387 10 10 IECE COc1ccc(OC)c([C@H](O)[C@@H](C)NC(=O)NCc2ccc(N3CCN(C)CC3)cc2)c1 1683701727 JIHDNFRJHNOOEE-UZUQRXQVSA-N 442.560 2.377 10 10 IECE CN1CCN(c2ccc(CNC(=O)NCC[C@@H](O)COCc3ccccc3)cc2)CC1 1684877735 JCAJNBPJQNBYNJ-HSZRJFAPSA-N 426.561 2.205 10 10 IECE Cc1nnc(N2CC[C@H](C(=O)NCC(F)(F)F)C2)n1Cc1ccc(N(C)C)c(F)c1 1693477305 XANPLRCDNXISQA-AWEZNQCLSA-N 428.434 2.345 10 10 IECE Cc1nnc(N2CCC(C(=O)N3CCOCC3)CC2)n1CCCSc1nccs1 1742783106 FNVTXXVOIMCWME-UHFFFAOYSA-N 436.607 2.301 10 10 IECE CC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(N(C)C)c(F)c2)C[C@@H](C)O1 1765268864 ZWGNZIJEVVVUCV-QGPMSJSTSA-N 430.528 2.486 10 10 IECE Cc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCc3ccccc3C1)=C(N)O2 1865028489 WCMLEQMEBKTKKR-HXUWFJFHSA-N 432.480 2.419 10 10 IECE CSCC[C@H](C(=O)O)N1C(=O)C(=C2C(=O)N(C(C)=O)c3ccccc32)SC1=S 2293031044 QACCSUTVUDNJEX-GFCCVEGCSA-N 436.536 2.357 10 10 IECE O=C(O)Cn1cc(C=C2C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c2ccccc21 2293115904 KSNIQYHXSOJHPS-UHFFFAOYSA-N 433.376 2.121 10 10 IECE O=C(O)CCNC(=O)CN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S 15036514 WUGIZGLCGSMKRS-XFFZJAGNSA-N 429.317 2.241 10 10 IECE Cc1cccc(N2C(=O)NC(=O)/C(=C\NC(=O)Nc3ccc([N+](=O)[O-])cc3O)C2=O)c1C 105867613 BHJRYJDMDPTQAU-UKTHLTGXSA-N 439.384 2.206 10 10 IECE CN(C[C@@H]1CCCO1)C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 728219096 HAAIVSUHVSXKRC-SFHVURJKSA-N 428.512 2.263 10 10 IECE COc1ccc(N2CCN(C[C@@H](O)CN3CCO[C@@H](c4cccc(OC)c4)C3)CC2)cc1 754097559 IVEWWNRXOQDIJW-RCZVLFRGSA-N 441.572 2.260 10 10 IECE COCc1nc(C(=O)OCC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)co1 775085576 DEQOQAGMUNOFTH-KBPBESRZSA-N 435.452 2.047 10 10 IECE C[C@@H](NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)C1(S(C)(=O)=O)CC1 804969115 JNDZRDHMAYSXEJ-CYBMUJFWSA-N 449.495 2.307 10 10 IECE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ncoc1CCC(F)(F)F 1130980480 QEXMZUAWVZIJQL-UHFFFAOYSA-N 431.436 2.334 10 10 IECE CC(C)Cc1nnc(N2CCN(C)C(=O)[C@@H]2C)n1Cc1ccc(N2CCOCC2)c(F)c1 1287469129 NDJUAKJIMDZBBW-KRWDZBQOSA-N 444.555 2.168 10 10 IECE CC(C)(C)OC(=O)NC[C@H]1OCC[C@H]1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 1356037656 ZMOHSAXTJQKIEY-VQIMIIECSA-N 437.512 2.208 10 10 IECE Cc1ccc(NC(=O)[C@@H](C)N[C@H](C)c2ccccc2O)cc1S(=O)(=O)N1CCOCC1 1460634390 AQETXSAPDTXJMA-IAGOWNOFSA-N 447.557 2.399 10 10 IECE CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)c3ccc(C)c(-n4c(C)cc(C=O)c4C)c3)C[C@@H]12 1470202851 OWXNNQGJYHTKBV-TYPHKJRUSA-N 430.526 2.099 10 10 IECE CCO[C@@]1(c2nnc(N(C)Cc3ccccc3O)n2CCNC(=O)C(C)C)CCOC1 1516145156 XTYBCJDPXUQCSY-QFIPXVFZSA-N 431.537 2.044 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N[C@@H]3CCN(C4CCCCC4)C3)CC2)cc1 1584965415 HMNMQUYJAHXICS-ZCPJJFRWSA-N 440.588 2.423 10 10 IECE NC(=O)[C@@H]1CCCN(c2ccc(C(=O)NCc3ccc(N4CCC(O)CC4)cc3)cc2)C1 1585535777 DQNPZLMTRPCGAV-HXUWFJFHSA-N 436.556 2.279 10 10 IECE COc1ccc(N(C)CCN(C)C(=O)[C@@H](O)[C@](O)(c2ccccc2)C(F)(F)F)cc1 1640771867 SRJBVNQAKCPSKR-UYAOXDASSA-N 426.435 2.401 10 10 IECE CC[C@@H](C)N[C@H](CNC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccco1 1681048436 ZHMDGDFCYWCFCX-YLJYHZDGSA-N 448.589 2.443 10 10 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CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 1469072399 UHKUQJRCWKEIEQ-CHWSQXEVSA-N 427.523 2.187 10 10 IECE CCOCc1nnc(N(C)Cc2ccc(N3CCOCC3)cc2)n1Cc1snnc1C 1503014988 XGHVLEKIYDJOIC-UHFFFAOYSA-N 443.577 2.496 10 10 IECE CC(C)NC(=O)c1nnc(N(C)CCCCCO)n1Cc1ccc2c(c1)CCCN2C 1509605400 WTPCAUMJDGZGEH-UHFFFAOYSA-N 428.581 2.446 10 10 IECE Cn1cc(C(=O)Nc2c(-c3ccccn3)nc3ccc(Br)cn23)c(O)nc1=O 1538920762 WZPQYFIQLMCWOM-UHFFFAOYSA-N 441.245 2.210 10 10 IECE CC(=O)N1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(N(C)C)c(F)c2)[C@H](C)C1 1540988329 ILOTYCHVDXTWOG-VQIMIIECSA-N 444.555 2.483 10 10 IECE CCc1ccccc1-n1cc(C(=O)NCc2ccc(N3CCN(C(C)=O)CC3)cc2)nn1 1567591271 CMZUEBMMFIHPKC-UHFFFAOYSA-N 432.528 2.428 10 10 IECE COc1ccc(N2CCN(CCNC(=O)C[S@@](=O)c3ccc(Cl)cc3)CC2)cc1 1598028491 KUEAXSWNFLWYIV-GDLZYMKVSA-N 435.977 2.395 10 10 IECE CCOCc1nnc(N2CC[C@@H](OCCOC)C2)n1Cc1ccc2c(c1)CCCN2C 1616815643 BFLLGDBIBXLOSI-HXUWFJFHSA-N 429.565 2.487 10 10 IECE COc1ccc(N2CC[C@H](CNC(=O)[C@@H](O)[C@@](O)(c3ccccc3)C(F)(F)F)C2)cc1 1627158969 LUGNJJXRLYOVRG-VMRPVKRXSA-N 438.446 2.449 10 10 IECE COc1cc(CCC(=O)NCc2ccc(N3CCN(C(C)=O)CC3)cc2)cc(OC)c1O 1632950391 QHNWLHZCPAXEJF-UHFFFAOYSA-N 441.528 2.327 10 10 IECE COc1ccc(N2CC[C@@H](CNC(=O)CCNS(=O)(=O)c3ccc(F)cc3)C2)cc1 1638647035 ZBJLKEKEPSQLRJ-INIZCTEOSA-N 435.521 2.145 10 10 IECE COc1ccc(CNC(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)cc1S(N)(=O)=O 1683055210 XLJGHFFPOZLDAG-OAHLLOKOSA-N 434.562 2.147 10 10 IECE CCN(C)C(=O)Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1764684696 CJYMQARLUKUHDH-UHFFFAOYSA-N 437.548 2.225 10 10 IECE Cc1ccc(N=c2nc(N3C[C@H](C)O[C@H](C)C3)[nH]c(N3C[C@@H](C)O[C@H](C)C3)n2)c(O)c1 1871731156 AWXVJPNZIWRHTQ-VQHPVUNQSA-N 428.537 2.278 10 10 IECE CCCCN1C(=O)C(=CNc2c(C(=O)OC)[nH]c3cc(OC)ccc23)C(=O)NC1=S 2296583813 QYSLUKHCMOJODZ-UHFFFAOYSA-N 430.486 2.302 10 10 IECE NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N[C@H]3CCCN(c4ccccc4)C3=O)cc2)C1 734065501 CCHBYYWITJSJIW-UGKGYDQZSA-N 449.555 2.383 10 10 IECE CNS(=O)(=O)c1ccccc1N1CCN(Cc2cc(Cl)cc(OC)c2O)CC1 761193802 JGYXCNUNHOZUSI-UHFFFAOYSA-N 425.938 2.285 10 10 IECE NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NCC[C@@H]3COc4ccccc4O3)cc2)C1 765902152 AJBGPYFTIZCZHQ-AZUAARDMSA-N 438.528 2.418 10 10 IECE O=C(CN1CCO[C@H](c2cccc(O)c2)C1)NCc1ccc(N2CCOCC2)c(F)c1 766210469 FLMVIBLLVHEZOU-QFIPXVFZSA-N 429.492 2.058 10 10 IECE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)NCc2ccc(N(C)C)cc2C)C1=O 771270524 WNJOVFLMOFRRKU-DEOSSOPVSA-N 438.528 2.461 10 10 IECE COC(=O)c1cnc(C(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cn1 780106915 LONGIKLWFXBTAS-UHFFFAOYSA-N 437.408 2.439 10 10 IECE CN(C)c1ccc(CNC(=O)N[C@](C)(C(=O)O)c2ccc(S(C)(=O)=O)cc2)cc1F 797714451 AYQUKQWLEAXFSS-FQEVSTJZSA-N 437.493 2.094 10 10 IECE CCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1130780721 XKVGOESKGITLMQ-MRXNPFEDSA-N 439.578 2.183 10 10 IECE Cc1cc(C=O)c(C)n1-c1cccc(C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)c1 1146698750 CHLLUKCKTMWGOD-UHFFFAOYSA-N 435.484 2.214 10 10 IECE CC[C@@H](C)c1nc([C@H](C)NC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)n[nH]1 1230799860 XVDDDDLDOUZRIP-CABCVRRESA-N 434.566 2.113 10 10 IECE CC1(C)OC(=O)c2c(C(=O)NCc3ccc(N4CCS(=O)(=O)CC4)cc3)cccc21 1531982656 BVGNTJYMRSUBQM-UHFFFAOYSA-N 428.510 2.257 10 10 IECE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CO)CC2)n1Cc1ccc(N(C)C)c(F)c1 1555743586 SBTBREGGOJLUFS-RXVVDRJESA-N 447.555 2.464 10 10 IECE NC(=O)[C@H]1CCCN(c2ccc(C(=O)NCc3ccc(N4CCC(O)CC4)cc3)cc2)C1 1585535776 DQNPZLMTRPCGAV-FQEVSTJZSA-N 436.556 2.279 10 10 IECE CN1CCN(c2ccc(CNC(=O)N3CCCN(Cc4cscn4)CC3)cc2)CC1 1638004451 UFIKRPHRNCSEOI-UHFFFAOYSA-N 428.606 2.312 10 10 IECE O=C(NCCN1CCC2(C1)OCCO2)NC1CCN(c2ccc(OC(F)F)cc2)CC1 1676245863 PUSCBIMFBSXMIH-UHFFFAOYSA-N 440.491 2.005 10 10 IECE O=C1CN(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)CN1Cc1ccccc1 1683018587 XEMXUUVIBXBEMI-UHFFFAOYSA-N 430.455 2.313 10 10 IECE COC(=O)[C@@H]1CCCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(N(C)C)c(F)c2)C1 1697034783 ZXSNZLUBTIZCHS-MRXNPFEDSA-N 441.511 2.321 10 10 IECE CC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1O)N1CCCC1 1708799199 ZXIDJIVUHLASGM-RTBURBONSA-N 447.605 2.397 10 10 IECE CCO[C@]1(c2nnc(N(C)Cc3ccccc3O)n2C[C@@H]2CCOC[C@H]2OC)CCOC1 1765828717 NDCHGYDHBAPXAV-JXHRLWIKSA-N 446.548 2.324 10 10 IECE COCCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(N(C)C)cc2C)C1 1771253549 UVTLTEYHCZYNCM-HXUWFJFHSA-N 437.548 2.400 10 10 IECE CCCOC(=O)[C@H](C)N1C(=O)/C(=C2\SC(=S)N(CCC(=O)O)C2=O)c2ccccc21 1860827055 PVDPZHYDSXRUDE-YOJQOHNYSA-N 448.522 2.421 10 10 IECE CN1C(=O)C(=Cc2c(NCCCn3ccnc3)nc3ccccn3c2=O)SC1=S 2040370426 QEBRNSHOACLTSO-UHFFFAOYSA-N 426.527 2.224 10 10 IECE COc1ccc(N2CCN(S(=O)(=O)CCCNC(=O)CCc3ccccc3)CC2)cc1 11796546 HRPVDYLANGDKPV-UHFFFAOYSA-N 445.585 2.286 10 10 IECE Cc1cc(CCNC(=O)C(=O)Nc2cccnc2-n2cncn2)c(C)n1-c1ccccc1 737080366 CQNIEPWVISIBIK-UHFFFAOYSA-N 429.484 2.367 10 10 IECE CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@@H]3C[C@H]3c3ccc4c(c3)OCCO4)nc12 745287492 QHWUFDPVJWBJEW-LSDHHAIUSA-N 439.424 2.230 10 10 IECE CCN1CCN(c2ccc(CNC(=O)C(=O)Nc3cc(OC)ccc3F)cc2F)CC1 756181642 YFPPWXMBFGMHTL-UHFFFAOYSA-N 432.471 2.370 10 10 IECE CN(C)S(=O)(=O)c1ccc(NCc2ccc(N3CCN(CC4CC4)CC3)cc2)nc1 1116436735 GLJYBAWDPRCLFV-UHFFFAOYSA-N 429.590 2.476 10 10 IECE C[C@@H]1Oc2ccccc2N(CC(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)C1=O 1129661510 NZNXOUSSLIWJOY-AWEZNQCLSA-N 431.439 2.232 10 10 IECE O=C(NCc1ccc(N2CCC(O)CC2)cc1)NCc1cnc(N2CCOCC2)c(F)c1 1233774703 VXSZGDXRCIJFAX-UHFFFAOYSA-N 443.523 2.018 10 10 IECE COc1ccc(N2CC[C@H](CNC(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3OC)C2)cc1 1252115332 JWBREHZLESICEQ-NSISKUIASA-N 448.564 2.455 10 10 IECE CN(C)c1ccc([C@@H](CNC(=O)CN(C)[C@@H]2CCC[C@H]2O)NC(=O)OC(C)(C)C)cc1 1293802511 UHRYANYHSXWCRC-VAMGGRTRSA-N 434.581 2.280 10 10 IECE CCN(c1nnc(C)n1Cc1ccc(N2CCSCC2)cc1)[C@@H]1CCS(=O)(=O)C1 1313581596 UHKYEGGAIYKGMB-LJQANCHMSA-N 435.619 2.201 10 10 IECE CCOCc1nnc(N(C)CCn2cccn2)n1Cc1ccc(N2CCOCC2)cc1 1314312713 PMVVXYIECBWNHQ-UHFFFAOYSA-N 425.537 2.032 10 10 IECE 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CC[C@H]1CN(c2nnc(CN3CCCC3=O)n2Cc2ccc(N(C)C)c(F)c2)CCO1 1727833086 RSMPNOQJABPENB-KRWDZBQOSA-N 430.528 2.269 10 10 IECE CNC(=O)[C@@]1(C)CCN(c2nnc(C(C)(C)C)n2Cc2ccc(N3CCOCC3)cc2)C1 1769154559 QVHLUWFBVSMDTF-DEOSSOPVSA-N 440.592 2.423 10 10 IECE COc1ccc(CCC(=O)NC2CCN(C(=O)c3cc(O)c(O)c(O)c3)CC2)cc1OC 169872609 MKUBGPDWWAXLOM-UHFFFAOYSA-N 444.484 2.174 10 10 IECE CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCc2ccccc2S(N)(=O)=O)C1 554081008 VZDFLNICNCXKHW-UHFFFAOYSA-N 440.569 2.372 10 10 IECE COc1ccccc1C[C@@H]1CCCN1C(=O)C(=O)NCc1ccc(N2CCOCC2)cc1 788312113 CYXVCXJKSFUSMD-QFIPXVFZSA-N 437.540 2.382 10 10 IECE COc1ccc(N2CCN(C(=O)CN3CCO[C@H](COc4ccccc4)C3)CC2)cc1 792375190 DUYDOZOLWHFWAX-QHCPKHFHSA-N 425.529 2.124 10 10 IECE O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)c1cc2c(cc1[N+](=O)[O-])OCCO2 1129549401 QQNIMVOVODYMQJ-UHFFFAOYSA-N 435.383 2.411 10 10 IECE COc1ccc(N2CC[C@H](CNC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CC(C)C)C2)cc1 1142799068 YURZFOAIOOVCGM-UTKZUKDTSA-N 427.549 2.134 10 10 IECE COc1ccc(N2CC[C@@H](CNC(=O)CNC(=O)c3cc(OC)cc(OC)c3)C2)cc1 1162719192 YSSNUISUZXQCBH-INIZCTEOSA-N 427.501 2.085 10 10 IECE COc1ccc(N2CC[C@@H](NC(=O)N3CCN(CC(=O)N4CCCC[C@@H]4C)CC3)C2)cc1 1230858404 KGZCATBWCLGQSB-VQTJNVASSA-N 443.592 2.002 10 10 IECE CCc1nnc(N(C)C2CCN(S(C)(=O)=O)CC2)n1Cc1ccc2c(c1)CCCN2C 1292818206 VNGDYFAAORPOKV-UHFFFAOYSA-N 446.621 2.131 10 10 IECE CC(C)(C)OC(=O)NCCCn1cc(C(=O)NCc2ccc3cccnc3c2O)nn1 1299725837 NFLUASWTCDARDT-UHFFFAOYSA-N 426.477 2.377 10 10 IECE CCN(C)C(=O)[C@@H](NCC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)C(C)C 1307786270 WWFVLAIRYAITQZ-HOIFWPIMSA-N 436.572 2.148 10 10 IECE NC(=O)C[C@@H](NC(=O)c1ccccc1F)C(=O)NCc1cc(Cl)cc(Cl)c1O 1450722039 PIMDEKGLJLBZRM-CQSZACIVSA-N 428.247 2.128 10 10 IECE CN(C)c1ccc([C@@H](CNC(=O)N2CC[C@](C)(NC(=O)C(F)(F)F)C2)N(C)C)cc1 1479535336 UQLOFYPAOCLRQO-APWZRJJASA-N 429.487 2.208 10 10 IECE CS(=O)(=O)C[C@@H](C(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1ccccc1 1544538099 MMHKEVQUTGXIAE-JOCHJYFZSA-N 430.570 2.340 10 10 IECE COc1ccc(N2CCN(C(=O)N[C@@H]3CCCN(c4cc(C)nn4C)C3)CC2)c(OC)c1 1564671259 SWCBYOORJMPLLP-GOSISDBHSA-N 442.564 2.246 10 10 IECE CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC[C@H](O)CNC(=O)OC(C)(C)C)C1 1569255830 IDBPVHOPXOGRMA-KRWDZBQOSA-N 444.576 2.410 10 10 IECE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C1(O)CN(C(=O)OCc2ccccc2)C1 1630181409 VKWAOAQONBKGKX-GOSISDBHSA-N 425.529 2.492 10 10 IECE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1 1673745861 XRRVLAUXADLXGS-LJQANCHMSA-N 429.609 2.188 10 10 IECE O=C(NCc1ccc(N2CCC(O)CC2)cc1)NC[C@@]1(O)CCN(Cc2ccccc2)C1 1682986998 UNHDBGUDGMMPCH-VWLOTQADSA-N 438.572 2.084 10 10 IECE COc1ccc(N2CC[C@@H](NC(=O)N3CCC(C(=O)Nc4nncs4)CC3)C2)cc1 1683782966 YGSKQNLTPYXLEZ-OAHLLOKOSA-N 430.534 2.186 10 10 IECE CC(=O)N1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(N(C)C)cc2C)CC1 1749866887 JGCRWEVGLAQHJO-UHFFFAOYSA-N 433.560 2.355 10 10 IECE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)c3ccccn3)CC2)cc1 1862290738 COAMDTTWXSSHPC-FQEVSTJZSA-N 428.558 2.291 10 10 IECE CN(C(=O)CCN1C(=O)C(=Cc2ccc(F)cc2)SC1=S)[C@@H]1CCS(=O)(=O)C1 2296348722 ULQIELKIJKZUTA-CQSZACIVSA-N 442.559 2.063 10 10 IECE COCCn1c(C)c(C)c2cc(C(=O)NC[C@@H]3CCC[C@]34NC(=O)N(C)C4=O)ccc21 674453001 HBKVVJDLJURIFV-SBUREZEXSA-N 426.517 2.355 10 10 IECE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])o3)CC2)cc1 731957105 QNOSYLADZZCANJ-QGZVFWFLSA-N 428.445 2.150 10 10 IECE COC(=O)[C@H]1CCN(C[C@H](O)CN2CCN(c3ccc(OC)cc3)CC2)c2ccccc21 754074374 IFYLMLMLFNYERL-OFNKIYASSA-N 439.556 2.345 10 10 IECE COc1ccc(N2CCN(CCNC(=O)N[C@@H]3[C@@H]4CCO[C@@H]4C34CCCC4)CC2)cc1 754841180 GSHOLBNDLYHSIH-BDTNDASRSA-N 428.577 2.464 10 10 IECE COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 809826170 ZBURIZMEAUYDGJ-UHFFFAOYSA-N 426.466 2.342 10 10 IECE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCN(c2nc(N)nc(C3CC3)n2)CC1 1230201715 URRUKRHTHFVJBO-INIZCTEOSA-N 438.580 2.168 10 10 IECE CN(Cc1ccccc1O)c1nnc(-c2ccc[nH]2)n1C[C@H]1CCCN1S(C)(=O)=O 1298363476 DIMJJDHMPFSRFH-MRXNPFEDSA-N 430.534 2.039 10 10 IECE NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C3CN(C(=O)C4CCCCC4)C3)cc2)C1 1356434214 RJLQMTUYTFEEON-LJQANCHMSA-N 426.561 2.043 10 10 IECE Cn1cc(N2C[C@H](C(=O)N[C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3)CC2=O)cn1 1531503558 LPMFVEGWJRPOEM-HUUCEWRRSA-N 433.459 2.160 10 10 IECE CN(Cc1ccccc1O)c1nnc(CN2CCCC2=O)n1C[C@@]1(N(C)C)CCSC1 1554175876 YWSFVAJMPPQRGM-QFIPXVFZSA-N 444.605 2.180 10 10 IECE COC(=O)[C@@H]1C[C@H](O)CN(C(=O)c2cc(C)n(-c3ccc(Br)cn3)c2C)C1 1583656584 NDYXZSQNXIRRBC-HIFRSBDPSA-N 436.306 2.248 10 10 IECE Cc1nnnn1-c1ccc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c(F)c1 1586864144 DGYLAUQPTCHZCI-UHFFFAOYSA-N 428.443 2.140 10 10 IECE NS(=O)(=O)c1ccc(O)c(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 1587151744 YMSCIJLAIGHSRG-LBPRGKRZSA-N 441.456 2.040 10 10 IECE Cc1ccc(S(=O)(=O)CCC(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)cc1 1616588921 JBBSDEDFDYORMJ-UHFFFAOYSA-N 443.569 2.177 10 10 IECE CCOCc1nnc(N2CCC(N3CCNC3=O)CC2)n1Cc1ccc(N(C)C)c(F)c1 1616802828 HDXQHQYXBZEMSX-UHFFFAOYSA-N 445.543 2.062 10 10 IECE CC(C)(C)OC(=O)NCCn1cc(C(=O)NCc2cccc(Br)c2O)nn1 1623363275 CIDQGVCRGJDSMQ-UHFFFAOYSA-N 440.298 2.201 10 10 IECE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)NCc1ccccc1-n1cccn1 1633351314 LHBZOGZRLVMBHG-UHFFFAOYSA-N 439.541 2.107 10 10 IECE CCOC(=O)C1(CC(=O)N(CC(=O)OC)Cc2cc(Cl)ccc2O)CCOCC1 1637248137 ZQIKRPOUZKDPMF-UHFFFAOYSA-N 427.881 2.297 10 10 IECE COc1ccc(N2CC[C@H](CNC(=O)C[C@@]3(O)CCN(C(=O)OC(C)(C)C)C3)C2)cc1 1638653192 MFXMJHNYHXHTGI-HXOBKFHXSA-N 433.549 2.400 10 10 IECE C[C@@H]1CN(c2ccc(CNC(=O)CN(CC3CC3)[C@H](C(N)=O)C3CC3)cc2F)C[C@@H](C)O1 1648079289 NJPRYELXTKIHRB-LNPFQXMTSA-N 446.567 2.031 10 10 IECE CC(=O)Nc1c[nH]nc1[C@H]1CCCN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 1684142141 RRRNCCGRGRGOMX-SFHVURJKSA-N 440.548 2.418 10 10 IECE CN1CCCc2cc(Cn3c(N4CCN(S(C)(=O)=O)CC4)nnc3C(C)(C)C)ccc21 1769068633 GDHVPWVGUCGKCT-UHFFFAOYSA-N 446.621 2.088 10 10 IECE CN(C)c1ccc([C@H](CNC(=O)C2CCN(S(C)(=O)=O)CC2)N2CCCCC2)cc1 1858074068 BRMNHJICQGZYHJ-NRFANRHFSA-N 436.622 2.067 10 10 IECE CC[C@H](NC(=O)c1cc(-c2cccnc2)[nH]n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868978518 HYGWRDDBWLCRCS-FQEVSTJZSA-N 448.527 2.338 10 10 IECE O=C1CN(c2ccc(CNC(=O)Cn3c4ccccc4c(=O)c4ccccc43)cc2)CCN1 46717669 ITSRBYZLEKLERF-UHFFFAOYSA-N 440.503 2.407 10 10 IECE COc1ccc(N2CCN(C[C@H](O)CN3CCc4cc(OC)c(F)cc4C3)CC2)cc1 754233842 MZQPMFBOZOKPNA-NRFANRHFSA-N 429.536 2.384 10 10 IECE COC(=O)c1cc2ccccc2c(CN2CCN(c3nccn4cnnc34)[C@H](C)C2)c1O 771175762 UDHUMSMNFYZXRE-OAHLLOKOSA-N 432.484 2.480 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N[C@@H](C)C(=O)Cc3ccccc3)CC2)cc1 778392371 NBXBSFNVBFXESA-HYSAVQALSA-N 435.524 2.217 10 10 IECE C[C@H]1CN(c2ccc(CNC(=O)N[C@H](CO)C[C@H](O)C(C)(C)C)cc2F)C[C@@H](C)O1 790671576 HSKXYFPOEKRDHS-MQJTVSLUSA-N 425.545 2.397 10 10 IECE CC[C@H]1CN(C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)C[C@H](C)S1(=O)=O 813122012 CEPPIMZBCWZJEY-AVRDEDQJSA-N 448.633 2.326 10 10 IECE COCC1(CNC(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)CCOCC1 813701608 QUIMLGTUHPLVAY-UHFFFAOYSA-N 430.593 2.461 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NC[C@@H]3CC(=O)c4ccccc4O3)CC2)cc1 1151945192 AUMQAWHORDJGTI-CFGKVWFZSA-N 449.507 2.050 10 10 IECE Cc1cc(C)n(CC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)c(=O)n1 1293794158 WTMFXUFMBPQRLM-LJQANCHMSA-N 443.548 2.308 10 10 IECE COc1ccc(N2CC[C@@H](CNC(=O)CN3C(=O)N[C@@](C)(c4ccccc4)C3=O)C2)cc1 1526246365 KEOBLMKUVWZMCW-XDHUDOTRSA-N 436.512 2.105 10 10 IECE COc1ccc(N2CCCN(C(=O)[C@]3(C)C[C@H](O)CN3C(=O)OC(C)(C)C)CC2)cc1 1542171358 IYFJOTKGCVDLEO-MBSDFSHPSA-N 433.549 2.494 10 10 IECE COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@H]1CN(C(C)=O)c2ccccc2O1 1546151735 FUZAWIYMEWNUFZ-LJQANCHMSA-N 432.860 2.361 10 10 IECE CN(Cc1ccccc1O)c1nnc([C@H]2CCCOC2)n1CC(=O)NCC(F)(F)F 1554175766 WGZBKZDODDIRQR-AWEZNQCLSA-N 427.427 2.193 10 10 IECE COC(=O)c1cc(OCC(=O)N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)ccc1N(C)C 1559456432 BXSQKSPQPIRPSZ-QGZVFWFLSA-N 445.560 2.415 10 10 IECE CN(C)C(=O)Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1617614356 XUKOUGVHFGIKTG-FQEVSTJZSA-N 442.564 2.081 10 10 IECE CCOC(=O)CN(Cc1ccccc1O)C(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 1630480808 IBSPDPRJGVNFQD-UHFFFAOYSA-N 432.498 2.038 10 10 IECE CCOC(=O)CN(Cc1ccccc1O)C(=O)c1ccc(S(=O)(=O)NC(C)C)cc1 1630481015 LYKDQMGZVSLHOC-UHFFFAOYSA-N 434.514 2.284 10 10 IECE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(Br)cc(F)c1N 1633474030 ZUHFQEYJJMHVOB-ZDUSSCGKSA-N 441.253 2.486 10 10 IECE CCO[C@]1(c2nnc(N(C)Cc3ccccc3O)n2CC2(C(N)=O)CCCC2)CCOC1 1710430220 UFORZDLXYRPJLG-HSZRJFAPSA-N 443.548 2.318 10 10 IECE CCc1nnc(N2CCO[C@@H](COC(C)C)C2)n1Cc1ccc(N2CCOCC2)c(F)c1 1727630264 XNMNCQMKHOBKSM-LJQANCHMSA-N 447.555 2.495 10 10 IECE CC[C@@H](C)c1nnc(N(C)Cc2ccc(N3CCOCC3)cc2)n1CCCn1cnnn1 1752610202 VNIIBPKRXCHUOL-GOSISDBHSA-N 439.568 2.341 10 10 IECE COc1ccc(N2CCN(c3nnc([C@H]4CCC(=O)N4)n3CC(F)(F)F)CC2)cc1F 1770258838 RALWLCOMBZSGSF-CQSZACIVSA-N 442.417 2.266 10 10 IECE CCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccncc1)=C(N)O2 1864018343 IYMLALDKMUYSCZ-SFHVURJKSA-N 435.484 2.283 10 10 IECE C[C@@H](C(=O)N[C@H]1C=CS(=O)(=O)C1)N1C(=O)C(=Cc2ccc(Cl)cc2)SC1=S 2296565699 LWRYXBSUBVADPG-GWCFXTLKSA-N 442.971 2.357 10 10 IECE Nc1c(C(=O)OCc2cc(=O)n3ccccc3n2)ccc2c1C(=O)c1ccccc1C2=O 16578843 VWRVFFGNYSPMTH-UHFFFAOYSA-N 425.400 2.409 10 10 IECE CC(C)Cn1c(N)c(C(=O)CN2CCCc3cc(OC(F)(F)F)ccc32)c(=O)[nH]c1=O 29923988 DHSKIHIZGIYVMO-UHFFFAOYSA-N 440.422 2.309 10 10 IECE O=C(O)CC[C@H](C(=O)O)N1C(=O)/C(=C2/C(=O)Nc3ccc(Cl)cc32)SC1=S 72414742 ZQGFJBPOAWTXDE-NPAAXYOMSA-N 426.859 2.182 10 10 IECE CN(C)c1ccc([C@@H](CNCC(=O)c2cccc(S(=O)(=O)N(C)C)c2)N(C)C)cc1 257646405 QSLZDTIHOLFJPC-OAQYLSRUSA-N 432.590 2.078 10 10 IECE C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 763549001 TWBSHTJWEQOLGB-SFHVURJKSA-N 435.528 2.463 10 10 IECE CN1CCN(c2ccc(CNC(=O)c3ccc(I)cn3)cc2)CC1 1132901901 GZGXYRBLGPVSGQ-UHFFFAOYSA-N 436.297 2.368 10 10 IECE CC1(C)CN(C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)[C@@H]2COC[C@H]2O1 1164167700 MRDFJKYRMJGDFN-GDBMZVCRSA-N 438.527 2.273 10 10 IECE C[C@@H](NC(=O)N1CCN(S(=O)(=O)NCc2ccccc2)CC1)c1ccc(N(C)C)cc1 1234557185 ZMSTZRZRNKPDPI-GOSISDBHSA-N 445.589 2.175 10 10 IECE CN1CCN(c2ccc(CNC(=O)N3CCOC[C@@H]3C[C@H](O)c3ccccc3)cc2)CC1 1246303989 SWZAJIDROPLDTL-ZEQRLZLVSA-N 438.572 2.473 10 10 IECE CN(c1nnc(CC2CC2)n1CCCSc1nccs1)[C@H]1CCS(=O)(=O)C1 1298179431 YZMWTCQSPLRZJS-AWEZNQCLSA-N 427.621 2.493 10 10 IECE Cc1ccc2c(c1)C(=O)O[C@](C)(C(=O)NCc1ccc(N3CCC[C@H](C(N)=O)C3)cc1)C2 1358168402 RLNKYGOLRNROMC-DFBJGRDBSA-N 435.524 2.485 10 10 IECE CCN(CC)c1ccc(Cn2c(CC3CC3)nnc2N2CCO[C@H](CNC(C)=O)C2)cc1 1515528920 RWGKVFSPJNPUKA-JOCHJYFZSA-N 440.592 2.466 10 10 IECE COc1ccc(N(C)CCN(C)C(=O)c2cn(C)nc2I)cc1 1530905971 NUFNSEUGKHJZGJ-UHFFFAOYSA-N 428.274 2.242 10 10 IECE C[C@H](C(=O)NCc1ccc(N2CCN(C)CC2)cc1)c1ccc(S(=O)(=O)N(C)C)cc1 1536924656 KMEDTHLXLCXHNQ-SFHVURJKSA-N 444.601 2.109 10 10 IECE COc1ccc(N(C)CCN(C)C(=O)CN2C(=O)NC3(C[C@H](C)C[C@@H](C)C3)C2=O)cc1 1585448960 CHORFFOZBGGFDW-IAGOWNOFSA-N 430.549 2.337 10 10 IECE CC(=O)Nc1ccc(N2C[C@@H](C(=O)NCc3ccc(N4CCOCC4)cc3)CC2=O)cc1 1631068889 AZLJFCJHFMCPTD-IBGZPJMESA-N 436.512 2.151 10 10 IECE CCN1C(=O)CO[C@H](C(=O)NCc2ccc(N3CCCCC3)cc2)[C@H]1c1nccn1C 1639735313 ZJFYVFZUXQNQDD-SFTDATJTSA-N 425.533 2.015 10 10 IECE CCNS(=O)(=O)c1ccc(F)c(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c1 1647080641 HARDENJMSGUHJT-HXUWFJFHSA-N 436.553 2.223 10 10 IECE CN(Cc1ccc(N2CCCC2)cc1)c1nnc(CC2CC2)n1CCNS(C)(=O)=O 1696684775 JGTHXPQFTFTRBG-UHFFFAOYSA-N 432.594 2.016 10 10 IECE CC(C)Cc1nnc(N2CCC(OCC(N)=O)CC2)n1Cc1ccc2c(c1)CCCN2C 1723307074 WWHXUGNYDHYVFZ-UHFFFAOYSA-N 440.592 2.378 10 10 IECE CN(Cc1ccccc1O)c1nnc(C(=O)Nc2ccccn2)n1CC[C@H]1COCCO1 1747751336 BVADMCPPKYTYJE-KRWDZBQOSA-N 438.488 2.073 10 10 IECE CNC(=O)CCCN(C)c1nnc(CC2CC2)n1Cc1ccc(N2CCOCC2)cc1 1769296857 RARZYLZZZSRVPF-UHFFFAOYSA-N 426.565 2.078 10 10 IECE COc1ccc(N2CCN(C(=O)[C@@H]3CCN(S(=O)(=O)c4ccc(C)cc4)C3)CC2)cc1 1858393156 VCJMTXVEEFKFNE-LJQANCHMSA-N 443.569 2.363 10 10 IECE 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COc1ccc(N2CCN(C(=O)[C@]3(C)CN(C(=O)OC(C)(C)C)CCO3)CC2)c(OC)c1 1530968188 LFJXSTQLFAVGJN-QHCPKHFHSA-N 449.548 2.378 10 10 IECE CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)[C@@H]2CC(=O)N(c3cnn(C)c3)C2)cc1 1544529958 QPGSDQQUKBPKPG-WIYYLYMNSA-N 425.533 2.047 10 10 IECE COC(=O)[C@@H]1CN(CC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)C[C@H]1C1CC1 1559951666 DNPWANMXOHJQPV-ACZWYYKOSA-N 447.551 2.187 10 10 IECE NC(=O)C1CCN(c2ccc(CNC(=O)NC[C@H]3CCCN(CC4CC4)C3)cc2)CC1 1687631891 GOZXETZQLMSUGV-HXUWFJFHSA-N 427.593 2.310 10 10 IECE CN(C)c1cccnc1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccccc1O 1711006919 AWVBALOTQXPCPL-UHFFFAOYSA-N 435.532 2.365 10 10 IECE CN(Cc1ccccc1O)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@@H]1CCCCO1 1747750630 VKEYKEWGWFNEQF-ROUUACIJSA-N 434.562 2.481 10 10 IECE COCC(=O)N1CCN(c2nnc(C3CCC3)n2Cc2ccc(N(C)C)c(F)c2)CC1 1749246739 ILOYNFBGSLFVFO-UHFFFAOYSA-N 430.528 2.094 10 10 IECE CC[C@@H](Oc1cccc(C=C2SC(=S)N([C@H](CC(=O)O)C(=O)O)C2=O)c1)C(=O)O 2314927903 NAASIPUUQSRRDV-VXGBXAGGSA-N 439.467 2.058 10 10 IECE C[C@]12CCC[C@H](O1)c1c(cc3c(c1OS(=O)(=O)O)C(=O)c1c(O)cc(O)cc1C3=O)O2 31166492 VTOWVRODCXECEJ-YUNKPMOVSA-N 448.405 2.405 10 10 IECE CN(C)c1ccc(CNC(=O)CN2CCN(C(=O)Nc3ccc(Cl)cc3)CC2=O)cc1 35537199 VCLYBIRDBPVTOF-UHFFFAOYSA-N 443.935 2.399 10 10 IECE O=S(=O)(Nc1ccc(F)c(N2CCCS2(=O)=O)c1)c1cccc2nsnc12 517594970 JUCSJBBSLGKMLD-UHFFFAOYSA-N 428.492 2.171 10 10 IECE CN1CCN(C(=O)c2cnn3c2C[C@H](CNCc2cc(Cl)cc(F)c2O)CC3)CC1 752828808 BSEAFXDVBSUCGB-CQSZACIVSA-N 435.931 2.121 10 10 IECE COc1ccc(N2CCN(C[C@H](O)CN3CCCC[C@H]3C(=O)OC(C)(C)C)CC2)cc1 754075017 LXFXSTTWBHAEGI-UNMCSNQZSA-N 433.593 2.374 10 10 IECE CC(C)CN(C(=O)CN(Cc1ccccc1O)C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 756336798 QFRSUKKINYWDBZ-PMACEKPBSA-N 438.590 2.045 10 10 IECE O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@H]1CCN(S(=O)(=O)c2ccccc2)C1 806673347 FVILLQREKWFYQE-INIZCTEOSA-N 449.916 2.273 10 10 IECE CC(C)(C)[C@@H](O)C[C@@H](CO)NC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 807062573 GYTBCDXBODBTQX-UNMCSNQZSA-N 432.609 2.176 10 10 IECE CCS(=O)(=O)c1ccccc1C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1133847697 RWJJUNYNVHFUKC-UHFFFAOYSA-N 429.542 2.112 10 10 IECE CS(=O)(=O)Nc1cccc(CC(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)c1 1161175395 UIHCJJIQDXXFFN-UHFFFAOYSA-N 439.484 2.032 10 10 IECE CCO/C=C/[C@@](O)(CNC(=O)NCc1ccc(N2CCN(C)CC2)cc1)C(F)(F)F 1254716970 ZJPCQYARVWWMBN-BNOPAZPUSA-N 430.471 2.081 10 10 IECE CC1=CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc3c(c2)CCCN3C)C1 1290231688 VUZPUUKZCGBOAJ-QGZVFWFLSA-N 444.605 2.475 10 10 IECE COC[C@@H](F)Cn1c(-c2cnccn2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1315817213 VBQAYRGKEQHKFL-SFHVURJKSA-N 441.511 2.193 10 10 IECE CCOc1ccc(N2CCN(C(=O)CCCC[C@@H]3SC[C@H]4NC(=O)N[C@@H]43)CC2)cc1 1319858174 GQUVRQLWHPMGQQ-DYXWJJEUSA-N 432.590 2.460 10 10 IECE COc1ccc(N2CC[C@H](CNC(=O)NC[C@H]3COCCN3C(=O)OC(C)(C)C)C2)cc1 1470592312 BZSMMBGSQRECFE-MJGOQNOKSA-N 448.564 2.457 10 10 IECE CCCCN(C(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1)C1CC1 1565034792 UHPZUSWDVFUCPV-UHFFFAOYSA-N 438.594 2.121 10 10 IECE COC(=O)[C@@H]1CCN(C(=O)Cc2ccc(-n3c(C)cc(C=O)c3C)cc2)[C@@H](C(=O)OC)C1 1566738129 YDQKQPZBHXWLJO-WIYYLYMNSA-N 440.496 2.402 10 10 IECE CC(C)(C)OC(=O)N1CC2(CC(=O)NCCN2C(=O)c2cc3cc(O)c(O)cc3s2)C1 1634386493 NXUDWYWKLBSIRE-UHFFFAOYSA-N 447.513 2.264 10 10 IECE CN1CCN(c2ccc(CNC(=O)NCC(=O)Nc3ccc(-n4cccn4)cc3)cc2)CC1 1638004690 XJOKBJLFSMGIED-UHFFFAOYSA-N 447.543 2.062 10 10 IECE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)CC[C@H]1[C@H](C)n2nccc2N[C@@H]1C 1638030838 QOIRFZGEPQPDLV-WTTBNOFXSA-N 430.505 2.356 10 10 IECE C[C@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)[C@@H](O)CN(C)C(=O)OC(C)(C)C 1640235743 MLBKIAOIDRZWGD-DBVUQKKJSA-N 436.597 2.335 10 10 IECE CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C 1641140311 IZPACZXDXCAAEG-IRXDYDNUSA-N 441.347 2.398 10 10 IECE CC(C)(C)OC(=O)N1CC=CCN1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 1659571361 SMHZPWMVLQCRTM-UHFFFAOYSA-N 434.512 2.302 10 10 IECE COc1ccc(N2CC[C@H](CNC(=O)N3CCCC[C@H]3CCNS(C)(=O)=O)C2)cc1 1686854812 FDWRYZVOJCPWFB-MJGOQNOKSA-N 438.594 2.025 10 10 IECE Cc1noc([C@H](C)N2CCN(c3nnc(C)n3Cc3ccc(N(C)C)c(F)c3)CC2)n1 1693523675 PJBGRPAKDCOLIM-AWEZNQCLSA-N 428.516 2.415 10 10 IECE CCOCc1nnc(N(CCS(C)(=O)=O)C2CC2)n1Cc1ccc2c(c1)CCCN2C 1696256746 CXBOJXUCHWTJJL-UHFFFAOYSA-N 447.605 2.259 10 10 IECE Cc1cccc(-c2nnc(N(C)Cc3ccccc3O)n2CCC(=O)N2CCOCC2)n1 1742314608 RQUKBYKPGWTGNO-UHFFFAOYSA-N 436.516 2.239 10 10 IECE Cc1cc(-c2nnc(N(C)[C@H](C)CC(N)=O)n2Cc2ncn(C)n2)c(C)n1-c1ccccc1 1751414184 FILWQUQCJIOIDE-OAHLLOKOSA-N 447.547 2.230 10 10 IECE CCOCc1nnc(N2CCC[C@@H](CC(N)=O)C2)n1Cc1ccc2c(c1)CCCN2C 1767878230 BUGUMGSTVCJSAT-KRWDZBQOSA-N 426.565 2.337 10 10 IECE COc1ccc(N2CCN(C(=O)[C@H]3CCN(C(=O)c4ccc5c(c4)OCO5)C3)CC2)cc1 1858381783 UVRTXPWZFUNHEP-SFHVURJKSA-N 437.496 2.235 10 10 IECE O=C1C(=Cc2ccc3c(c2)OCO3)SC(=S)N1CC(=O)N1CCCC[C@H]1CCO 2296562455 ULHXNWFFCUIXCH-AWEZNQCLSA-N 434.539 2.380 10 10 IECE C[C@@H](C(=O)N[C@@H]1C=CS(=O)(=O)C1)N1C(=O)C(=CC=Cc2ccccc2)SC1=S 2296576825 KWGTVODLZUDOMP-DZGCQCFKSA-N 434.564 2.259 10 10 IECE O=C1/C(=C/c2cccc([N+](=O)[O-])c2)SC(=S)N1NC1=NS(=O)(=O)c2ccccc21 33767342 SPCVHRWREZVNSO-LCYFTJDESA-N 446.491 2.450 10 10 IECE C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)CC1=O 768743446 QLAMTZUULNTEHC-AGHHOFFYSA-N 425.577 2.027 10 10 IECE COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2cc(NS(C)(=O)=O)ccc2O)cc1 769690365 IPGUGHDUZUKBGP-KRWDZBQOSA-N 433.486 2.016 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C\C(=O)Nc3nc4c(OC)cccc4n3C)CC2)cc1 771647399 NEQQMVKFCDLHCT-QXMHVHEDSA-N 449.511 2.434 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C\C(=O)NC3(C(=O)Nc4ccccc4)CC3)CC2)cc1 779351727 MLYHFUWOJBZLFZ-QXMHVHEDSA-N 448.523 2.188 10 10 IECE CC(C)[C@@H](OC(=O)c1ccc2c(c1N)C(=O)c1ccccc1C2=O)C(=O)N1CCOCC1 913224443 WPMZFODUYGHKIC-JOCHJYFZSA-N 436.464 2.084 10 10 IECE CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)CN(C)C(=O)[C@H](C)n1cccn1 1139585712 UQSLHDYHENAHSD-KRWDZBQOSA-N 443.548 2.291 10 10 IECE CC(C)(C)OC(=O)NCCCCNC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1233974371 WHTVNACAHVVACV-UHFFFAOYSA-N 447.580 2.492 10 10 IECE C[C@@H](CCS(C)(=O)=O)NC(=O)CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S 1356127081 DPLVDBUMLFKVTQ-CMHHUMAZSA-N 444.575 2.356 10 10 IECE O=C(NCCNC(=O)c1ccc(Br)cn1)NCc1cc(Cl)ccc1O 1470782454 LHFGEWQAJDDAJE-UHFFFAOYSA-N 427.686 2.432 10 10 IECE COc1ccc(N2CC[C@H](NC(=O)NCCS(=O)(=O)CCc3ccccc3)C2)cc1 1478518333 JINFWOSODOOFMZ-IBGZPJMESA-N 431.558 2.231 10 10 IECE O=C1N[C@H]2CCN(C(=O)CCN3C(=O)/C(=C\c4ccc(F)cc4)SC3=S)C[C@@H]2CO1 1524738141 OYZGEZHIJKZIFX-RTEWSFLISA-N 449.529 2.374 10 10 IECE COC(=O)c1ccc(/C=C/C(=O)N2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)o1 1528358443 LAHUMVQXUGWCCF-SOFGYWHQSA-N 430.457 2.454 10 10 IECE CCC(CC)NC(=O)c1nnc(N2CCNC(=O)C2)n1Cc1ccc(N(CC)CC)cc1 1545926637 CARPCQKWFKDOEZ-UHFFFAOYSA-N 441.580 2.027 10 10 IECE C[C@H](C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)n1cnc2c(N)ncnc21 1566356395 DBPCJIPFKQNQES-DOMZBBRYSA-N 429.912 2.109 10 10 IECE COc1ccc(N2CCN(CCNC(=O)[C@H]3C[C@H](NC(=O)OC(C)(C)C)C3)CC2)cc1 1583758446 PQIBCKWLZFCZFK-IYARVYRRSA-N 432.565 2.237 10 10 IECE COc1ccc(N(CC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(C)c2=O)CC2CC2)cc1 1645725818 CBGNREQFTAYEMC-UHFFFAOYSA-N 448.523 2.285 10 10 IECE CN(CCCF)CC(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 1654838746 YXRJWFQBKFZMSX-YBEGLDIGSA-N 439.534 2.024 10 10 IECE COC(=O)c1cn([C@H]2CCCN(C(=O)N[C@H](C)Cc3ccc(N(C)C)cc3C)C2)nn1 1682100425 BHVCNYKZBDDRMX-APWZRJJASA-N 428.537 2.417 10 10 IECE Cc1noc([C@H]2CCCN(C(=O)NCc3ccc(N4CCC(C(N)=O)CC4)cc3)C2)n1 1685243830 BYMUZSFHYUVIMG-SFHVURJKSA-N 426.521 2.169 10 10 IECE CC(C)c1nnc(N2CCC3(CC2)NC(=O)N(C)C3=O)n1Cc1ccc(N(C)C)c(F)c1 1760916722 OHUYOEFYTHVESD-UHFFFAOYSA-N 443.527 2.176 10 10 IECE COc1ccc(C=C2SC(=S)N(CCCC(=O)N[C@@H]3CSC[C@H]3O)C2=O)cc1 2297500807 JDVWDXIKGAWIGI-HUUCEWRRSA-N 438.596 2.269 10 10 IECE CCS(=O)(=O)c1ccc(S(=O)(=O)NCc2cccc(Br)c2O)cc1 766201289 QMZNUVMHOJXYSS-UHFFFAOYSA-N 434.333 2.427 10 10 IECE CC1(C)CN(CCNC(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)CCO1 768734756 PNEQOFVPXYLDLD-UHFFFAOYSA-N 429.609 2.129 10 10 IECE NC(=O)c1coc(CNC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 779528200 AYALHHWMNSHGOL-UHFFFAOYSA-N 426.395 2.233 10 10 IECE CCOC(=O)c1cnn2c(O)cc(CN[C@@H](CO)c3cccc(Br)c3)nc12 782082004 AYHMYRBAQDUZNR-HNNXBMFYSA-N 435.278 2.197 10 10 IECE COc1ccc(N2CCN(CCNC(=O)N[C@@H](CO)Cc3cccc(C)c3)CC2)cc1 786115742 BIZGABMFPZIIMA-OAQYLSRUSA-N 426.561 2.028 10 10 IECE COc1ccc(N2CCN(CCNC(=O)N3C[C@@H](C(F)(F)F)OC[C@H]3C)CC2)cc1 806619461 FPKDFQVZIIMZTE-QAPCUYQASA-N 430.471 2.178 10 10 IECE COCCOc1cccc(CNC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1 918011513 YRMQQAHSYLDQQU-HXUWFJFHSA-N 440.544 2.413 10 10 IECE COCCOCc1ccc(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)cc1 1133847901 VMDKHDJEUDKONB-UHFFFAOYSA-N 425.529 2.481 10 10 IECE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H](O)[C@](O)(c1ccccc1)C(F)(F)F 1135946058 CLSMFMILHUMJKI-TZIWHRDSSA-N 438.446 2.293 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CC(C)(C)[C@H]3c3cnn(C)c3)CC2)cc1 1149476190 WTUGNSYWYDMXSN-JJNABOQBSA-N 437.544 2.243 10 10 IECE CCN1CCN(CCC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)CC1 1293793756 RCXWXOLFMYDQMJ-OAQYLSRUSA-N 447.624 2.462 10 10 IECE Cc1cc(C(=O)NCc2cc(C)n(-c3ccccc3)c2C)nc2c1c(=O)n(C)c(=O)n2C 1438296880 DTPKVFVNQGSBAX-UHFFFAOYSA-N 431.496 2.278 10 10 IECE CN(Cc1cnn(-c2ccccc2)n1)C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1479343037 ACAVSPBMBUKUSR-UHFFFAOYSA-N 447.543 2.311 10 10 IECE CN(C)c1ccc(CN(CC(F)(F)F)C(=O)CC2(n3cnnn3)CCOCC2)cc1 1537497440 HVZPDYRHBCACLZ-UHFFFAOYSA-N 426.443 2.226 10 10 IECE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)NCC1(c2ccccn2)CCC1 1564715700 DYMJVJMRSRFYKL-UHFFFAOYSA-N 428.558 2.238 10 10 IECE C[C@H]1CN(C[C@H]2CCCN2C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C[C@@H](C)O1 1565127038 IEIIFTZGGUFURU-XQBPLPMBSA-N 430.593 2.431 10 10 IECE COc1ccc(N2CCN(CCNC(=O)c3ccc(S(=O)(=O)C4CC4)cc3)CC2)cc1 1583758480 RHFQUCVEQCGJBK-UHFFFAOYSA-N 443.569 2.183 10 10 IECE CN(Cc1ccccc1O)c1nnc(-c2cnccn2)n1CCS(=O)(=O)C(C)(C)C 1617939714 GHRIHAVEAXMJIF-UHFFFAOYSA-N 430.534 2.290 10 10 IECE COc1ccc(N2CCN(C(=O)Cc3ccnc(O)c3Br)CC2)c(OC)c1 1623763679 AWWCRLYEZOYSER-UHFFFAOYSA-N 436.306 2.458 10 10 IECE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@]1(C(=O)OC)C[C@@H]1c1ccccc1 1624659600 YHXAKINKKCGVKC-SAHWJRBASA-N 427.453 2.035 10 10 IECE CCOc1ccc(N2CCN(C(=O)C3(CNC(=O)OC(C)(C)C)CC(O)C3)CC2)cc1 1632158275 XUUAMXVMWTYHLI-UHFFFAOYSA-N 433.549 2.400 10 10 IECE O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)[C@H]1CCCN(CC(F)(F)F)C1=O 1637554495 NRKTYXDSHRKYEY-CYBMUJFWSA-N 435.393 2.219 10 10 IECE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCCN2C(=O)/C=C/c2ccc(O)c(O)c2)CC1 1648312900 NOBACOWLEOFJMM-LKUPDRCFSA-N 445.516 2.181 10 10 IECE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)c3ccc4nc(O)sc4c3)cc2)CC1 1662777783 XAYJCCAZDHGOCQ-UHFFFAOYSA-N 446.554 2.149 10 10 IECE CC(C)(C)OC(=O)N1CC(CNC(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)C1 1671281533 BUJVEPNMAKJZGS-UHFFFAOYSA-N 445.564 2.054 10 10 IECE C[C@@H](NC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@@H](c1ccccc1)N(C)C 1686400605 GMPSPFYRFAWDTF-GCJKJVERSA-N 444.601 2.412 10 10 IECE CC[C@@H]1CN(c2nnc(CN3CCCC3=O)n2Cc2ccc(N(C)C)c(F)c2)CCO1 1727833087 RSMPNOQJABPENB-QGZVFWFLSA-N 430.528 2.269 10 10 IECE CC(C)c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1Cc1ccc(N2CCOCC2)c(F)c1 1741340324 ABMJCMNHJPJABA-MRXNPFEDSA-N 430.528 2.092 10 10 IECE COC(=O)[C@H]1CCN(c2nnc(CC(C)C)n2Cc2ccc(N3CCOCC3)cc2)C1 1769431593 AYRKIDBAWLCDHZ-IBGZPJMESA-N 427.549 2.361 10 10 IECE NC(=O)C[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(Br)cc2F)SC1=S 1858590567 YKQBZNIHTPKVPJ-QKWZMYFISA-N 433.280 2.118 10 10 IECE COc1cc(/C=C2\C(=O)N(C)C(=S)N=C2O)cc(I)c1OC 33333065 OXXPQHUHVYGSFG-YWEYNIOJSA-N 432.239 2.405 10 10 IECE CC(=O)N1CCC[C@H]1C(=O)O[C@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 750424072 SBHNVJFPYXINGS-XCLFUZPHSA-N 434.448 2.343 10 10 IECE COc1cc(Br)cc(CN2CCN(c3cc(C)nc4ncnn34)CC2)c1O 768303393 QBLIBMHMMJFGPB-UHFFFAOYSA-N 433.310 2.232 10 10 IECE C[C@@H]1CCOCCN1C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 774694284 WFQBVSAHXQMQOK-QGZVFWFLSA-N 428.512 2.263 10 10 IECE CC(C)(C)N1CC[C@@](F)(C(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 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GHXYHUJOZZEBCW-GOSISDBHSA-N 444.557 2.265 10 10 IECE COCCCN(C(=O)/C=C\c1cccnc1C)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1350913322 TWENBHHKULFAKF-QXMHVHEDSA-N 449.511 2.366 10 10 IECE CN1CCC(CNC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)(N2CCOCC2)CC1 1470507185 OHYOCWIUVGVVLT-UHFFFAOYSA-N 429.609 2.223 10 10 IECE CN(C)c1ccc([C@@H](CNC(=O)N2CC[C@@](C)(NC(=O)C(F)(F)F)C2)N(C)C)cc1 1479535342 UQLOFYPAOCLRQO-VQIMIIECSA-N 429.487 2.208 10 10 IECE Cc1cc(N(C)C)ccc1Cn1c(Cc2ccccn2)nnc1N(C)CCN1CCOCC1 1510676234 WXFCKYSTXUPVGU-UHFFFAOYSA-N 449.603 2.455 10 10 IECE CCc1nnc(N2CCCN(c3ccc(OC)cc3)CC2)n1CC1(S(C)(=O)=O)CC1 1513904455 SSTPNBPMNNXYFW-UHFFFAOYSA-N 433.578 2.143 10 10 IECE COC(=O)[C@@H]1CCN(c2nnc(C(C)C)n2Cc2ccc(N3CCOCC3)c(F)c2)C1 1517656670 ZIHJLAORMCMWDN-QGZVFWFLSA-N 431.512 2.425 10 10 IECE CN(C)c1ccc([C@H](CNC(=O)CCOc2ccc(S(C)(=O)=O)cc2)N(C)C)cc1 1537477506 ASVPNCBWOSOJHI-NRFANRHFSA-N 433.574 2.344 10 10 IECE COc1ccc(Br)c(C(=O)NCCCNC(=O)Cc2ccc(O)c(O)c2)c1 1556191228 ZAYAZBCMUNJYRL-UHFFFAOYSA-N 437.290 2.348 10 10 IECE COC[C@H](F)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1619622856 SFZCHNSBWSRWAU-JKSUJKDBSA-N 437.491 2.241 10 10 IECE O=C(CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)N[C@H]1CCCS(=O)(=O)C1 1633684737 FJCPARUESCVWRI-QTNMRXCUSA-N 442.559 2.110 10 10 IECE COC[C@H]1CN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(N(C)C)c(F)c2)C[C@@H](C)O1 1697897258 FBXZLKZGFURKIX-CRAIPNDOSA-N 443.527 2.172 10 10 IECE CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(N(C)C)cc1C)[C@@H]1CCS(=O)(=O)C1 1709956040 KLJZMBPOOAYWGE-UYAOXDASSA-N 447.605 2.218 10 10 IECE Cc1nnc(N(C)CC(=O)NC(C)(C)C)n1Cc1ccc(N2CCC(CO)CC2)cc1 1726353275 IVZMGJNTYGOUSM-UHFFFAOYSA-N 428.581 2.194 10 10 IECE COCc1nnc(NC(=O)COc2cccnc2NC(=O)Oc2ccc(N)cc2)s1 1858693309 GDGAIJZTGVYFTK-UHFFFAOYSA-N 430.446 2.290 10 10 IECE COC(=O)c1c(NC(=O)C(=O)NN2CCN(C)CC2)sc(C)c1-c1ccc(C)c(C)c1 1860760960 JJFIHMQXDJGOGH-UHFFFAOYSA-N 444.557 2.344 10 10 IECE COC(=O)c1ccc(C=C2SC(=S)N(CCCC(=O)N3CCN(C)CC3)C2=O)cc1 2297554579 IPKHSELUQKYGDD-UHFFFAOYSA-N 447.582 2.229 10 10 IECE CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1ccco1 628987 XGQPMLYDTQJRQW-MTGKDYNDSA-N 437.521 2.457 10 10 IECE COCCO[C@@H]1COCC[C@H]1NC(=O)Cn1c2c(c3ccccc31)CN(C(C)C)CC2 436009159 UBWACPYZLROHQW-NFBKMPQASA-N 429.561 2.345 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CCC(c4nccc(C)n4)CC3)CC2)cc1 756253811 MCELAHHQDOYVKE-FPLPWBNLSA-N 449.555 2.405 10 10 IECE Cc1cc(C(=O)NS(=O)(=O)c2cn(C(C)C)cn2)ccc1NC(=O)C1=S=CC=C1 767484292 OIWPPOXOBIQYGI-UHFFFAOYSA-N 432.527 2.107 10 10 IECE O=C(NCc1ccc(N2CCN(CC3CC3)CC2)cc1)N1CCN(c2cccnn2)CC1 769041942 LUSCPIBBKMORFY-UHFFFAOYSA-N 435.576 2.040 10 10 IECE CCN(CC)CC1CCN(C(=O)C(=O)NC2CCN(c3ccc(OC)cc3)CC2)CC1 804318484 LDKFXZAVBNFYFY-UHFFFAOYSA-N 430.593 2.361 10 10 IECE COc1ccc(N2CCN(C(=O)CN3C(=O)C(F)(F)c4cc([N+](=O)[O-])ccc43)CC2)cc1 1127276867 OFEPFAQOIHGDOT-UHFFFAOYSA-N 446.410 2.391 10 10 IECE COc1ccc(N2CC[C@H](NC(=O)c3c(I)cnn3C)C2)cc1 1131031113 YOVWKKADNIBELL-NSHDSACASA-N 426.258 2.042 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N[C@H](C3CCOCC3)C3CC3)CC2)cc1 1144694477 FHVOZLQNFRBPCM-HMLKYZKVSA-N 427.545 2.221 10 10 IECE COc1ccc(N2CC[C@H](CNC(=O)C[C@@H]3CS(=O)(=O)c4ccccc4O3)C2)cc1 1162719007 WKNPFGYYXMTEPM-VQIMIIECSA-N 430.526 2.263 10 10 IECE CCC(C)(C)CCNC(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1252759863 JJPAXGAKTBXSED-UHFFFAOYSA-N 440.610 2.273 10 10 IECE CCN(CC)c1ccc(Cn2c(Cc3cccnc3)nnc2N2CCNC(=O)CC2)cc1 1295418152 ANATZGRLSBTYTG-UHFFFAOYSA-N 433.560 2.485 10 10 IECE CC(=O)N(C)C1CCN(c2nnc(C)n2Cc2ccc(N3CCOCC3)c(F)c2)CC1 1359350949 UAVACSRDJFFFTR-UHFFFAOYSA-N 430.528 2.058 10 10 IECE COc1ccc(N2CCN(C(=O)[C@@H](O)[C@@](O)(c3ccccc3)C(F)(F)F)CC2)cc1F 1445848614 SYDAXIFGKLIGPH-QUCCMNQESA-N 442.409 2.294 10 10 IECE Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 1446901805 RCKHCNDGJZVLPM-XMSQKQJNSA-N 430.526 2.373 10 10 IECE CNC(=O)[C@@H]1CCCN(C(=O)CCN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)C1 1465065908 ZZUQQXKKTHHLPT-DSQDWWTGSA-N 435.546 2.402 10 10 IECE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(F)c(Br)cc1N 1466674447 VVJWDAJPDASXME-AWEZNQCLSA-N 441.253 2.486 10 10 IECE C[C@@H](C(=O)NCc1ccc2cccnc2c1O)N1CCN(C(=O)OC(C)(C)C)CC1=O 1570533606 JQQWSYLITMVKRE-AWEZNQCLSA-N 428.489 2.024 10 10 IECE CC(C)(C)OC(=O)N1CC(O)(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)C1 1622634765 IDDOONFCCLDSAK-INIZCTEOSA-N 439.940 2.108 10 10 IECE O=C(CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)NCc1cnc2n1CCOC2 1627477053 DVAAINYBFAOFMU-CXUHLZMHSA-N 446.529 2.460 10 10 IECE CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ccc(OCC)cc2)CC1 1632158037 NPOFLAODBPCPFR-GOSISDBHSA-N 435.521 2.190 10 10 IECE O=C(CCN1CCN(c2ccccn2)CC1)NCc1cc(F)c(N2CCOCC2)c(F)c1 1637549970 WOIUBADYVDBFFL-UHFFFAOYSA-N 445.514 2.025 10 10 IECE NC(=O)C1CCN(c2ccc(CNC(=O)[C@H]3CC[C@H](Nc4ncccn4)CC3)cc2)CC1 1638488676 MHXDCZLSNKPXRP-MXVIHJGJSA-N 436.560 2.465 10 10 IECE Cc1cc(N(C)C)ccc1Cn1c([C@H]2CCCOC2)nnc1N1CC[C@@](C)(C(N)=O)C1 1742141734 MRKKMIMSOISIFF-FDDCHVKYSA-N 426.565 2.297 10 10 IECE COc1ccc(N2CCN(C(=O)[C@H](CC(C)C)N3C(=O)c4ccncc4C3=O)CC2)cc1 1873831910 SBVUGOVBTXCVOZ-NRFANRHFSA-N 436.512 2.450 10 10 IECE COCCNC(=O)Cn1cc(C=C2C(=O)NC(=O)N(c3ccccc3)C2=O)c2ccccc21 2296936138 BRHHVNPNZXGTKX-UHFFFAOYSA-N 446.463 2.070 10 10 IECE CC(C)(C)OC(=O)N1CCN(C(=O)CNCc2cccc(Br)c2O)CC1 380820186 PMTCJFDIKKNBFP-UHFFFAOYSA-N 428.327 2.324 10 10 IECE Cc1cc(C(=O)CN2CCC[C@@H](CS(N)(=O)=O)C2)c(C)n1-c1ccc2c(c1)OCO2 733997906 WFNDZINAHBYFQD-MRXNPFEDSA-N 433.530 2.006 10 10 IECE O=S1(=O)CCc2ccc(S(=O)(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)cc21 751136005 CCGJTPNHXKJVHB-QGZVFWFLSA-N 437.539 2.092 10 10 IECE CS(=O)(=O)N1CCC(CS(=O)(=O)N(Cc2ccccc2O)C2CCCC2)CC1 795115608 NSJUISFFQFYKFC-UHFFFAOYSA-N 430.592 2.138 10 10 IECE COC(=O)/C=C\c1ccc(N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)c([N+](=O)[O-])c1 913047287 QDGOJRSKPLKNPN-KMDWOBIYSA-N 430.505 2.304 10 10 IECE Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCc1ccc(C(=O)NCC(N)=O)cc1 1136267040 ITXZEOMWCPDHTD-UHFFFAOYSA-N 432.480 2.052 10 10 IECE COC(=O)[C@H]1CC(F)(F)CN1CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1196135304 VNJXNWCHMXXHSE-MRXNPFEDSA-N 428.391 2.283 10 10 IECE CN(C)c1ccc([C@H](CNC(=O)NCc2ccc(NS(C)(=O)=O)cc2)N(C)C)cc1 1251500307 DKAJALSRXKKROZ-FQEVSTJZSA-N 433.578 2.226 10 10 IECE CN(C)C[C@@H]1COC2(CCCC2)CN1C(=O)NCc1ccc(N2CCN(C)CC2)cc1 1254716677 RPGACILTWVMKQK-JOCHJYFZSA-N 429.609 2.223 10 10 IECE Cc1cc(C)n(Cc2nnc(N(C)Cc3ccccc3O)n2CCN2CCOC[C@@H]2C)n1 1304740925 DKYPPMFFSJGXMA-IBGZPJMESA-N 439.564 2.202 10 10 IECE Cn1ccnc1[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1ccc(F)c(F)c1 1304781967 AGHZJVRANTVEQR-KRWDZBQOSA-N 436.440 2.295 10 10 IECE CN(CCNC(=O)OC(C)(C)C)C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1313304172 DYDQPWABPLIXOM-UHFFFAOYSA-N 433.553 2.054 10 10 IECE C[C@@H](NC(=O)c1cn(C)nc1I)c1ccc(N2CCOCC2)cc1 1351696108 KMVZIFNRIOAQOA-GFCCVEGCSA-N 440.285 2.352 10 10 IECE CC(C)O[C@@]1(c2nnc(N3CCOCC3)n2Cc2ccc(N(C)C)c(F)c2)CCOC1 1360349512 GUMZMKUKPCUKGI-QFIPXVFZSA-N 433.528 2.409 10 10 IECE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H](CNC(=O)c1c(F)ccc(O)c1O)OC2=O 1472622711 OCUDXVPLKWWSBB-LBPRGKRZSA-N 438.452 2.300 10 10 IECE COc1ccc(N2CC[C@H](CNC(=O)Cn3c(=O)oc4cc([N+](=O)[O-])ccc43)C2)cc1 1529404074 OLUBKCWATWCUGG-CQSZACIVSA-N 426.429 2.154 10 10 IECE CN1CCN(c2ccc(CNC(=O)CN3C(=O)C(F)(F)Oc4ccccc43)cc2)CC1 1536524774 WBAWOMWTUPOHBE-UHFFFAOYSA-N 430.455 2.073 10 10 IECE CN(C)c1ccc([C@@H](CNC(=O)c2ccc(S(=O)(=O)NC(C)(C)C)o2)N(C)C)cc1 1616858193 IOUXXQGVPJXZKH-QGZVFWFLSA-N 436.578 2.455 10 10 IECE CC(=O)NC[C@H]1CN(C(=O)c2cc(C)n(-c3ccc(Br)cn3)c2C)CCO1 1618127173 SPNSRBCIKPMNGM-INIZCTEOSA-N 435.322 2.229 10 10 IECE COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)cc1 1633066414 MXNADXFKGPHCDR-GOSISDBHSA-N 446.573 2.210 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N[C@@H]3c4ccccc4OC[C@@H]3F)CC2)cc1 1645263370 ZDXKMECMCLSAQQ-CCKZSJJLSA-N 439.487 2.488 10 10 IECE Cc1nnsc1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccccc1O 1742068958 UGVFMLRVBFSNTG-UHFFFAOYSA-N 436.501 2.476 10 10 IECE Cc1cc(N2CC[C@H](OC(=O)c3ccc4c(c3N)C(=O)c3ccccc3C4=O)C2=O)n(C)n1 744473750 KMWUELXMHUJPMD-KRWDZBQOSA-N 444.447 2.048 10 10 IECE C[C@H]1CN(c2ccc(CNC(=O)COC(=O)c3cnn4c3CCCC4)cc2F)C[C@@H](C)O1 750633186 ZZXFXOODZZPHCU-IYBDPMFKSA-N 444.507 2.445 10 10 IECE C[C@H]1CN(c2ccc(CNC(=O)CN3CCOC[C@@H]3C(F)(F)F)cc2F)C[C@@H](C)O1 761097075 RPBDZICXYORJEM-QWQRMKEZSA-N 433.446 2.319 10 10 IECE COC(=O)COc1ccc(S(=O)(=O)NCc2cc(Br)ccc2O)cc1 796190703 KJLDASBRBVXQDI-UHFFFAOYSA-N 430.276 2.185 10 10 IECE NC(=O)COc1ccc(Cl)cc1S(=O)(=O)NCc1cc(Br)ccc1O 796191250 SBEOSLBMLKCOMA-UHFFFAOYSA-N 449.710 2.151 10 10 IECE O=C(CNS(=O)(=O)c1ccc(Br)cc1)NCc1cccc(Cl)c1O 1180410112 KBLICPLPZJWRII-UHFFFAOYSA-N 433.711 2.403 10 10 IECE COC(=O)[C@@H](Cn1ccnc1)NC(=O)c1cc(C)n(-c2ccc(Br)cn2)c1C 1183259724 SKQDDJDPSQNKAK-MRXNPFEDSA-N 446.305 2.420 10 10 IECE COC(=O)c1cccc2c1CN(C[C@@H](O)CN1CCN(c3ccc(OC)cc3)CC1)CC2 1559938929 BGTLABUTRJNQDX-NRFANRHFSA-N 439.556 2.023 10 10 IECE CN(C)c1ccc2c(c1)OCCN2C(=O)c1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1 1629931598 OALBFZOXXSTFKK-UHFFFAOYSA-N 428.493 2.175 10 10 IECE CCc1nncn1CCNC(=O)CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S 1634131277 GXPCRYCNYYHLRO-PTNGSMBKSA-N 433.534 2.387 10 10 IECE COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C1 1638917987 OXWQIODPMIDEGF-APWZRJJASA-N 430.471 2.492 10 10 IECE CNC(=O)N[C@H]1CCCN([C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C1 1654781547 OXNDJCXWEDRUSY-ZBFHGGJFSA-N 434.496 2.182 10 10 IECE CCOC(=O)CN(CC(=O)NCc1ccc(N2CCCC2=O)cc1)Cc1ccccc1O 1659100961 XSAFBHZNEPCJHR-UHFFFAOYSA-N 439.512 2.201 10 10 IECE COC(=O)CCC1CCN(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)CC1 1684169904 VWHBGBGFCFYCAQ-UHFFFAOYSA-N 430.549 2.263 10 10 IECE CC(=O)N[C@@H]1CCCN(c2nnc(-c3cnn(C)c3)n2CCCSc2nccs2)C1 1706023552 ZQEJSJMLFLDROV-MRXNPFEDSA-N 446.606 2.422 10 10 IECE Cc1nnc(N(C)CCN2CCOC(C)(C)C2)n1Cc1ccc(N2CCOCC2)c(F)c1 1707866311 WVKNIFPRGVCRGE-UHFFFAOYSA-N 446.571 2.158 10 10 IECE CCNC(=O)CN1CCN(c2nnc(C(C)C)n2Cc2ccc(N(C)C)cc2C)CC1 1710328806 HOIULHDBFSOSJI-UHFFFAOYSA-N 427.597 2.082 10 10 IECE CC(C)=CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1O 1741267226 SDTBGIGQMUXXBB-LJQANCHMSA-N 449.577 2.309 10 10 IECE CNC(=O)CCCN(C)c1nnc(CC(C)C)n1Cc1ccc(N2CCOCC2)c(F)c1 1769292381 XVYUBLWXTHDOPD-UHFFFAOYSA-N 446.571 2.463 10 10 IECE CS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(OC(=O)c4ccco4)cc3)C(=O)N=C2S1 2297346210 MMLUXKCFAFORGA-UHFFFAOYSA-N 444.450 2.120 10 10 IECE COc1ccc(/C=C2/SC(=S)N(CCC(=O)N3CCN(C)CC3)C2=O)cc1OC 33318020 VDFVLFFQJIERMS-GHRIWEEISA-N 435.571 2.069 10 10 IECE COc1ccc(N2CCCN(C(=O)[C@H](C)NS(=O)(=O)c3ccccc3F)CC2)cc1 108578423 ZVNRRPARDMXEJO-INIZCTEOSA-N 435.521 2.240 10 10 IECE Cc1cccc(-n2c(C)cc(C(=O)COC(=O)c3ccc(S(N)(=O)=O)cn3)c2C)c1 769840516 VIPXMFJIJYHCNO-UHFFFAOYSA-N 427.482 2.485 10 10 IECE COC(=O)c1nc(Cl)ccc1S(=O)(=O)NCc1cc(Br)ccc1O 796191613 XSVUOWNGYWTRGM-UHFFFAOYSA-N 435.683 2.468 10 10 IECE C[C@@H](OC(=O)[C@]1(C)CCC(=O)NC1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 798778463 KKBLNPHJQQOJMJ-YEBMWUKDSA-N 434.448 2.249 10 10 IECE COc1ccc(N2CC[C@H](NC(=O)N3CCN(CCN4[C@@H](C)CC[C@H]4C)CC3)C2)cc1 1230859365 XFOWFIAZNULOEK-HBMCJLEFSA-N 429.609 2.474 10 10 IECE CCc1nnc(N2CCC(NS(=O)(=O)CC)CC2)n1Cc1ccc(N(C)C)cc1C 1292986239 LOHHLVBZLPPOGC-UHFFFAOYSA-N 434.610 2.171 10 10 IECE CN(CC(=O)N1Cc2cccc(O)c2C1)S(=O)(=O)c1ccc(Br)cc1 1302787382 MSLAWLAICULQTI-UHFFFAOYSA-N 425.304 2.318 10 10 IECE CC(C)CN1CCO[C@H](Cn2c(C(=O)NC(C)C)nnc2N(C)Cc2ccccc2O)C1 1303200855 FYUUDXLTGRBUBZ-IBGZPJMESA-N 444.580 2.115 10 10 IECE Cc1cc(CNC(=O)NCC(=O)NCC(=O)NCc2ccccc2)c(C)n1-c1ccccc1 1313132497 HNQDKNNFDQOHFD-UHFFFAOYSA-N 447.539 2.326 10 10 IECE NC(=O)[C@@H]1CCCN(c2nnc(-c3cnccn3)n2CCCSc2nccs2)C1 1316543069 UCUZZHMMEZBKRN-CYBMUJFWSA-N 430.563 2.076 10 10 IECE Cc1ccc2c(c1)C(=O)O[C@@](C)(C(=O)NCc1ccc(N3CCC[C@@H](C(N)=O)C3)cc1)C2 1358168403 RLNKYGOLRNROMC-KBMIEXCESA-N 435.524 2.485 10 10 IECE COc1ccc(N2CC[C@H](CNC(=O)Cc3ccc(S(=O)(=O)N(C)C)cc3)C2)cc1 1436970136 HVUZIQBDUAWZKF-GOSISDBHSA-N 431.558 2.131 10 10 IECE CCN1CCN(C[C@@H](C)Cn2c([C@H]3CCOC3)nnc2N(C)Cc2ccccc2O)CC1 1502343391 OIENZCPEQCWOEY-CTNGQTDRSA-N 442.608 2.398 10 10 IECE CC(C)C(=O)NCCn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ccccc1O 1508822922 NOTOISNLGBNYAJ-UHFFFAOYSA-N 440.504 2.120 10 10 IECE CCOCc1nnc(N2CCOC[C@H]2C)n1Cc1ccc(N2CCC(CO)CC2)cc1 1516622361 JOSPCBQUDCZJLQ-GOSISDBHSA-N 429.565 2.297 10 10 IECE Cn1c(CC(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)nnc1-c1ccccc1 1528261103 FZIDXJQPGOUJRS-UHFFFAOYSA-N 427.455 2.456 10 10 IECE NC(=O)N=Nc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cc1 1543168724 KNKWVUUWWGYVJQ-UHFFFAOYSA-N 441.513 2.484 10 10 IECE CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)N1Cc2cccc(O)c2C1 1558036069 PHUNJUUJZKBNMF-NRFANRHFSA-N 446.525 2.399 10 10 IECE Cn1ccnc1[C@H](O)C1CCN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC1 1565127461 SGVOUJSHUNZOFV-OAQYLSRUSA-N 427.549 2.036 10 10 IECE O=C(NCc1ccc(O)cc1O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 1570462097 DGWIFSLUVLBGIX-UHFFFAOYSA-N 426.441 2.093 10 10 IECE COCC1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccccc2O)CCC1 1619648150 BVVLCZFBSYFPLR-QGZVFWFLSA-N 434.562 2.339 10 10 IECE CCN1C(=O)C[C@H](C(=O)N2CCN(c3ccc(OC)cc3OC)CC2)[C@H]1c1cccnc1 1623764929 XURHNSKMWADNGP-WMZHIEFXSA-N 438.528 2.357 10 10 IECE NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)Cc3cncn3Cc3ccccc3)cc2)C1 1626338916 LXQMVMGLOWMGGA-OAQYLSRUSA-N 431.540 2.492 10 10 IECE CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1 1630737908 FLNNWHIGBCMTIO-KURKYZTESA-N 430.549 2.308 10 10 IECE NC(=O)C1CCN(c2ccc(CNC(=O)N[C@H](CO)c3cc(F)ccc3F)cc2)CC1 1684176697 YJSNPJDPNFPEPP-HXUWFJFHSA-N 432.471 2.199 10 10 IECE C[C@@H]1CN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CC[C@H]1N1CCN(C)CC1 1685682040 QWYCAXNSTZSJRN-UEVCKROQSA-N 430.641 2.023 10 10 IECE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cnn(C)c2)n1CCCSc1nccs1 1709186948 CAHXLKFQOQYUQR-CQSZACIVSA-N 432.579 2.032 10 10 IECE CN(CC(=O)NC(C)(C)C)c1nnc(CC2CC2)n1Cc1ccc(N2CCOCC2)cc1 1767021131 YIQYUEIWCLOYAL-UHFFFAOYSA-N 440.592 2.466 10 10 IECE O=C(CNC(=O)[C@H]1COc2ccccc2O1)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874179105 NSQFWYICIXOPOZ-HXUWFJFHSA-N 442.427 2.357 10 10 IECE COc1ccc(C(=O)NC2=S=C(C(=O)Nc3ccc(C)c(S(C)(=O)=O)c3)C=C2)cc1 536267968 HNGKIJUAUYIXNJ-UHFFFAOYSA-N 444.534 2.381 10 10 IECE COc1ccc(N2CCN(CCNC(=O)c3sc(-c4cnn(C)c4)nc3C)CC2)cc1 734429204 FNGNHIWZIIEPDN-UHFFFAOYSA-N 440.573 2.413 10 10 IECE COc1ccc(N2CCN(C(=O)CS(=O)(=O)c3ccc(C(C)=O)c(F)c3)CC2)cc1 734808875 HPEXGXTVHCUTMS-UHFFFAOYSA-N 434.489 2.159 10 10 IECE CCc1c(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cnc2c1c(=O)n(C)c(=O)n2C 753912224 VXMDHXRVLOBQMP-UHFFFAOYSA-N 449.555 2.457 10 10 IECE CCOc1cccc(CN2CCN([C@@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)c1O 780789535 FIKLLBNODUDWFY-LJQANCHMSA-N 427.549 2.146 10 10 IECE Cc1cc(Br)c(O)c(CNCc2ccccc2S(=O)(=O)N(C)CCO)c1 781629556 JJTSJWDOLMTFQE-UHFFFAOYSA-N 443.363 2.366 10 10 IECE NC(=O)c1ccc(CNC(=O)CCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)o1 1126705019 MNEOCCHVEBWWOY-DHDCSXOGSA-N 433.486 2.425 10 10 IECE Cc1cc(S(N)(=O)=O)oc1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 1143192384 XURGOTWYFOIYBN-UHFFFAOYSA-N 429.445 2.236 10 10 IECE O=C(CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)N1CCC(c2nn[nH]n2)CC1 1152486076 FNNPXPZLJMQRKZ-RVDMUPIBSA-N 446.533 2.336 10 10 IECE C[C@@H]1CN(c2ccc(CNC(=O)c3cc(S(C)(=O)=O)ccc3N)cc2F)C[C@@H](C)O1 1291755338 FFSWPZYVHFJUFR-ZIAGYGMSSA-N 435.521 2.355 10 10 IECE CC(C)NC(=O)c1nnc(N2C[C@@H]3CCC[C@H](C2)C3O)n1Cc1ccc(N(C)C)c(F)c1 1303352938 ANTNUMDVJWBPGR-XEWABKELSA-N 444.555 2.267 10 10 IECE CCc1nnc(N2CCN(c3cnn(C)c3)C(=O)C2)n1Cc1ccc(N(CC)CC)cc1 1306198410 IYOMNGPUYRKMTE-UHFFFAOYSA-N 436.564 2.322 10 10 IECE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N[C@@H]1c2ccccc2OC[C@H]1F 1312983232 NNHQKDVPWBANIP-UYAOXDASSA-N 433.505 2.192 10 10 IECE O=C(C[C@H]1CCC[C@@H](C(F)(F)F)O1)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1437548107 KGQZKCQIGLRAHJ-SJORKVTESA-N 434.480 2.428 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CCC(c4ncccn4)CC3)CC2)cc1 1456021973 YPGWOBPJGHLBGQ-FPLPWBNLSA-N 435.528 2.096 10 10 IECE CN1CCN(c2ccc(CNC(=O)c3ccc(S(=O)(=O)NC(C)(C)C)cc3)cc2)CC1 1462467271 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CCC[C@H](NC(=O)c1ccc(Cl)nn1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869058201 DKYPSBWTHOHDQJ-SFHVURJKSA-N 431.924 2.386 10 10 IECE CC[C@@H](Oc1ccccc1C=C1SC(=S)N([C@H](CC(=O)O)C(=O)O)C1=O)C(=O)O 2314927909 NDLXWOYZAROJJC-GHMZBOCLSA-N 439.467 2.058 10 10 IECE CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NC(=O)c1sccc1-n1c(C)ccc1C 735773201 XZUUHCZJVOLTOR-HNNXBMFYSA-N 425.532 2.158 10 10 IECE COc1ccc(N2CCN(CCNC(=O)c3nnn(C4CC4)c3C(F)(F)F)CC2)cc1 744483281 YRUAKAYJXCPGNG-UHFFFAOYSA-N 438.454 2.192 10 10 IECE O=C(CN(Cc1ccccc1O)C[C@H]1CCCO1)N1CCN(C(=O)c2cccs2)CC1 756337806 XEAPSWYZDCIUNR-LJQANCHMSA-N 443.569 2.419 10 10 IECE COc1ncc(C(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1Cl 792861631 GCYJAHQXOCCJKV-UHFFFAOYSA-N 437.855 2.193 10 10 IECE CN1C[C@H](CCNC(=O)CCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)CC1=O 1133635167 SXKZYKSKQGRPOG-KWZJRMENSA-N 435.546 2.402 10 10 IECE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@H]1CC[C@@H](Cn2cnc3c(N)ncnc32)O1 1162114183 LNOZCOPVHJFTOQ-AYOQOUSVSA-N 437.548 2.078 10 10 IECE 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CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@]1(C)CCCN1C(=O)c1ccccc1 1320398961 OCEWCJKITVYHFH-UUOWRZLLSA-N 440.496 2.383 10 10 IECE O=C(CNC(=O)c1cc(Cl)ccn1)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 1337009778 GFIOICMEWWCKRT-UHFFFAOYSA-N 441.963 2.313 10 10 IECE CSC[C@H](C(=O)NCc1ccc2cccnc2c1O)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 1469254034 WHJKNIGGSALMTN-YESZJQIVSA-N 427.526 2.463 10 10 IECE CN(C)c1ccc([C@H](CNC(=O)N2CCC(C(=O)Nc3nncs3)CC2)N(C)C)cc1 1471543230 FYVVXBLZKDJHET-SFHVURJKSA-N 445.593 2.267 10 10 IECE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)CCc3noc4ccccc34)cc2)CC1 1475194470 QYPLEMYVHDMYGM-UHFFFAOYSA-N 442.541 2.158 10 10 IECE C[C@H]1CCCN(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccccc2O)C1 1512225652 OZELFQVTIQGNIZ-HKUYNNGSSA-N 447.605 2.254 10 10 IECE Cc1cc(C(=O)NCCCN2CCC[C@H]2C(N)=O)c(C)n1-c1ccc(Br)cn1 1584933418 WDIMXVQXWDMJCZ-KRWDZBQOSA-N 448.365 2.321 10 10 IECE Cc1oc(C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc1CO 1597252783 UMNOXHVQDADWFX-UHFFFAOYSA-N 425.464 2.266 10 10 IECE 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COc1cc(N2CCN(C(=O)[C@H]3CCN(c4ccncc4)C3)CC2)cc(OC)c1OC 1183143745 TVXJRCZPDSXNHY-KRWDZBQOSA-N 426.517 2.283 10 10 IECE CN(C(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)S(C)(=O)=O 1340038655 HTOAUXMELXPMKR-YRNVUSSQSA-N 449.373 2.068 10 10 IECE O=C(CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)N1CCN(c2ncc[nH]2)CC1 1448686741 OCIAGVRESKCBOW-SSZFMOIBSA-N 445.545 2.489 10 10 IECE COC[C@](C)(NC(=O)CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)C(=O)OC 1457883684 IPGKUWGKGGVQNQ-CPPNXCSESA-N 440.518 2.111 10 10 IECE CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1470754729 VEDCNNAUDVVKEA-UHFFFAOYSA-N 446.529 2.214 10 10 IECE COc1ccc(N2CC[C@@H](CNC(=O)c3cccc(N4CCCS4(=O)=O)c3)C2)cc1 1526247032 RSLYMWBADIHUHO-KRWDZBQOSA-N 429.542 2.491 10 10 IECE COc1ccc(N2CCN(c3nnc(CC(C)C)n3Cc3ncn(C)n3)CC2)cc1F 1554960798 PWILYVBHVWMXOW-UHFFFAOYSA-N 428.516 2.128 10 10 IECE COc1ccc(N2CC[C@@H](CNC(=O)N(C)Cc3ccccc3S(N)(=O)=O)C2)cc1 1564962017 CIFPBWMMIWIBIN-INIZCTEOSA-N 432.546 2.011 10 10 IECE C[C@H](C(=O)NCc1ccc(N2CCOCC2)c(F)c1)[C@H](O)CN(C)C(=O)OC(C)(C)C 1596694804 IGMFXFXTLGONCD-HNAYVOBHSA-N 439.528 2.142 10 10 IECE O=C(NCc1ccc(N2CCC(CO)CC2)cc1)NCc1ccc(N2CCNC2=O)cc1 1637979941 ARNHIYUTCPZCHF-UHFFFAOYSA-N 437.544 2.424 10 10 IECE CC(C)[C@H](NC(=O)COc1ccccc1)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 1642155398 QGXSZDIXVFPEHX-DEOSSOPVSA-N 439.556 2.484 10 10 IECE CN(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C 1653421700 OASQJSHIXTYLAK-UXHICEINSA-N 435.613 2.317 10 10 IECE Cc1nc(Cc2nnc(N(C)Cc3ccccc3O)n2C[C@]2(C)CN(C)C2=O)cs1 1707746447 JEHZPDDHMLXZMT-NRFANRHFSA-N 426.546 2.454 10 10 IECE COc1ccc(N2CCCN(c3nnc(C(C)(C)C)n3C[C@]3(O)CCOC3)CC2)cc1 1711865419 UVFLCUPPMKRZSD-HSZRJFAPSA-N 429.565 2.452 10 10 IECE CCc1nn(C)c(OC)c1Cn1c(-c2cnccn2)nnc1N(C)Cc1ccccc1O 1744510515 FMRSNDUYMZMSCA-UHFFFAOYSA-N 434.504 2.430 10 10 IECE COc1ccc(N2CCN(C(=O)[C@@H]3CCN(S(=O)(=O)c4cccc(C)c4)C3)CC2)cc1 1858405272 GVHRMJNWHIIKMJ-LJQANCHMSA-N 443.569 2.363 10 10 IECE 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O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)NCc1cnc(Br)cn1 1470449769 ZMYLCOPJDSBLQV-UHFFFAOYSA-N 442.264 2.353 10 10 IECE COc1ccc(N2CC[C@@H](CNC(=O)NC[C@H](Cc3ccc(F)cc3)C(N)=O)C2)cc1 1470593400 LUXLHKKASCCCQJ-ROUUACIJSA-N 428.508 2.304 10 10 IECE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)N3CCCCC[C@@H]3C)CC2)cc1 1470729939 OXEDSDVVZQQOAI-SFHVURJKSA-N 438.594 2.121 10 10 IECE Cc1nnc(N(C)CC(=O)N2CCOCC2)n1Cc1ccc(N2CCC(C)CC2)cc1 1511773163 WFNZAHJCAHZVJK-UHFFFAOYSA-N 426.565 2.166 10 10 IECE COc1ccc(N2CCN(c3nnc(C)n3Cc3ccc(C)n(C)c3=O)CC2)cc1F 1518310542 YJDZOPGPUFYEKS-UHFFFAOYSA-N 426.496 2.116 10 10 IECE C[C@H](NC(=O)CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)C(=O)NCCF 1524093036 WBZKOFVJUSWOBR-HKLRHMNMSA-N 427.498 2.007 10 10 IECE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@@H]1CCN(Cc2ccccc2)C1 1587034780 GSUXBUYOFGDJAN-OAQYLSRUSA-N 427.570 2.060 10 10 IECE CN(C)c1ccc([C@H](CNC(=O)CCN2CCN(C(=O)OC(C)(C)C)CC2)N(C)C)cc1 1603554580 GVWRAEVTEAPQAF-NRFANRHFSA-N 447.624 2.414 10 10 IECE NC(=O)C1CCN(c2ccc(CNC(=O)c3ccc(=O)n(-c4ccccc4F)n3)cc2)CC1 1616600042 REYGOTPZVLDRIA-UHFFFAOYSA-N 449.486 2.003 10 10 IECE COc1ccc(N2CC[C@H](CNC(=O)NC[C@H]3CN(C(=O)OC(C)(C)C)CCO3)C2)cc1 1681825153 NRZJUJAEJGGEDD-XLIONFOSSA-N 448.564 2.457 10 10 IECE O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)N[C@H](C1CC1)C1(CO)CCOCC1 1683196002 WOQYPECBEWVRKE-HXUWFJFHSA-N 439.503 2.168 10 10 IECE C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C 1687807697 VVNVSCWJDBHFGU-HRAATJIYSA-N 447.605 2.405 10 10 IECE CC(C)c1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1Cc1ccc2c(c1)CCCN2C 1723194400 HPDAQNNOUQMJLI-KRWDZBQOSA-N 446.621 2.302 10 10 IECE CCN(CC)c1ccc(Cn2c(-c3cccnc3)nnc2N2CCS(=O)(=O)CC2)cc1 1728379131 GQWKQCIEKDJEMJ-UHFFFAOYSA-N 440.573 2.469 10 10 IECE COCCN1C[C@H](Cn2c([C@H]3CCCCO3)nnc2N(C)Cc2ccccc2O)CC1=O 1771125859 FGCNSQNUNVECPW-YLJYHZDGSA-N 443.548 2.357 10 10 IECE CCn1c(=O)c2ccnn2c2ccc(C(=O)NCc3ccc(N4CCOCC4)cc3)cc21 65270837 FFNCLBDZMROCAE-UHFFFAOYSA-N 431.496 2.436 10 10 IECE CC1=NN(c2ccccc2)C(=O)C1=c1sc(=C2Sc3ccccc3N2C)c(=O)n1C 254818276 DFCFWJGKWAKYRH-UHFFFAOYSA-N 434.546 2.328 10 10 IECE COc1ccc(N2CCN(CCNC(=O)C(=O)N(CC(C)C)C3CCCC3)CC2)cc1 803746361 FCDDAIHABVTUEJ-UHFFFAOYSA-N 430.593 2.361 10 10 IECE COc1ccc(N2CCN(CCNC(=O)/C(=C\c3cccs3)NC(C)=O)CC2)cc1 1142565396 BBANZONVMLRNIZ-LTGZKZEYSA-N 428.558 2.172 10 10 IECE Cc1cc(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c(C)n1-c1cnn(C)c1 1291872076 SHOJNXADHMBMEE-LJQANCHMSA-N 434.544 2.459 10 10 IECE CN(C)c1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CC[C@](C)(C(N)=O)C2)cc1F 1314660763 JGGCTQPEPQGDNE-ZHRRBRCNSA-N 430.528 2.127 10 10 IECE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)CNS(=O)(=O)c1ccc2c(c1)COC2 1451670073 PEYRRAUMSCMCFQ-INIZCTEOSA-N 431.558 2.117 10 10 IECE O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 1460739667 GGRBRVVCRNFCKB-GOSISDBHSA-N 429.467 2.466 10 10 IECE NC(=O)C1CCN(c2ccc(CNC(=O)Cc3ccccc3N3CCCC3=O)cc2)CC1 1462801806 BZMUDFVVDBOMQJ-UHFFFAOYSA-N 434.540 2.374 10 10 IECE NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3cnn(Cc4ccccc4)c3N)cc2)C1 1464365121 YWAGSXUCDBLBMP-IBGZPJMESA-N 432.528 2.145 10 10 IECE COc1ccc(N2CC[C@@H](NC(=O)N3CCN(C(=O)OC(C)(C)C)[C@@H](CCO)C3)C2)cc1 1565056829 ZYUKPCKDQKIKEO-MJGOQNOKSA-N 448.564 2.287 10 10 IECE COCCN(C(=O)Cc1ccc(-n2c(C)cc(C=O)c2C)cc1)[C@H]1CCS(=O)(=O)C1 1585534098 JAJWRODNEAADCC-NRFANRHFSA-N 432.542 2.111 10 10 IECE CC(C)c1nnc(N(C)[C@H](C)CC(N)=O)n1Cc1ccc(N2CCC(CO)CC2)cc1 1598386142 JQXSVTINEJIDNQ-QGZVFWFLSA-N 428.581 2.359 10 10 IECE COc1ccc(N2CC[C@H](NC(=O)NCc3cccc(C(=O)N4CCOCC4)c3)C2)cc1 1681695729 CJIDWLJTPURDJP-FQEVSTJZSA-N 438.528 2.246 10 10 IECE CN(Cc1ccccc1O)c1nnc(Cc2ccncc2)n1C[C@@H]1CCCN1CCCO 1729420286 LSLSKQRIDXJPFM-NRFANRHFSA-N 436.560 2.453 10 10 IECE CCc1nnc(N2CCC[C@H](C(=O)OC)C2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1744657045 UQAXMHQAQNLEGM-FQEVSTJZSA-N 441.576 2.487 10 10 IECE COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC=C1C(=O)NC(=O)N(c2ccc(C)cc2)C1=O 2296362894 LSCAKHQFRHAKJG-FQEVSTJZSA-N 446.463 2.317 10 10 IECE 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COc1ccc(N2CCN(C(=O)c3cc(Br)cn4ncnc34)CC2)c(OC)c1 1150479444 IGSXQFJDZRCMOY-UHFFFAOYSA-N 446.305 2.471 10 10 IECE CC[C@@H](C)c1nnc(N2CCN(CCOC)CC2)n1Cc1ccc(N2CCOCC2)cc1 1291644261 VPBGKHYPRAVOBN-HXUWFJFHSA-N 442.608 2.445 10 10 IECE COc1ccc(N2CCN(CCNC(=O)c3cc4nccc(C(F)(F)F)n4n3)CC2)cc1 1292282243 LPPDWXGVORTKIV-UHFFFAOYSA-N 448.449 2.309 10 10 IECE CN1CCCc2cc(CNC(=O)[C@@H]3CCCN(CCNC(=O)OC(C)(C)C)C3=O)ccc21 1442386935 NZRSPBTWKVADMK-IBGZPJMESA-N 444.576 2.449 10 10 IECE CN(C)c1ccc([C@H](CNc2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)N(C)C)cc1 1458682178 OISZUFKWRXGIPY-IBGZPJMESA-N 439.603 2.274 10 10 IECE COc1ccc(N2CCN(C(=O)N[C@H]3CCO[C@@H](c4nccn4C)C3)CC2)c(OC)c1 1478804256 UIAJWBIJOGNEJR-OXJNMPFZSA-N 429.521 2.189 10 10 IECE C[C@]1(CO)CN(C(=O)c2ccc(Cl)cc2)C[C@H]2CN(Cc3ccccc3O)CCN21 1615257806 QLDHPONJORGGSV-NFBKMPQASA-N 429.948 2.439 10 10 IECE COC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1618912159 CCAHWRSJNQDRMQ-IBGZPJMESA-N 442.564 2.127 10 10 IECE O=C(NC1CCN(S(=O)(=O)C2CCOCC2)CC1)c1cc2cc(O)c(O)cc2s1 1628306223 RDZBKRUXALKVHO-UHFFFAOYSA-N 440.543 2.016 10 10 IECE COc1ccc(N2CC[C@H](CNC(=O)NC[C@H]3CS(=O)(=O)c4ccccc4O3)C2)cc1 1683340785 YMSAATGLTONHMJ-APWZRJJASA-N 445.541 2.056 10 10 IECE COc1ccc(N2CCCN(C(=O)N[C@@H](CC(C)C)C(=O)N3CCOCC3)CC2)cc1 1686874128 RGBOZVURAXBACD-NRFANRHFSA-N 432.565 2.190 10 10 IECE CN1CCN(c2ccc(CNC(=O)N3CCOC[C@H]3C[C@@H](O)c3ccco3)cc2)CC1 1687441351 KERISNVUKFASEU-NHCUHLMSSA-N 428.533 2.066 10 10 IECE COC1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccccc2O)CCCC1 1697234310 QJRWTDYCMWDFBM-QGZVFWFLSA-N 434.562 2.481 10 10 IECE COCC[C@](C)(O)Cn1c(C2CC2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1730636196 WWPOEHXBFYQTEP-QFIPXVFZSA-N 433.528 2.417 10 10 IECE CCNC(=O)C1(Cn2c(C(=O)NC(C)C)nnc2N(C)Cc2ccccc2O)CCC1 1746489729 NYAYLGOHIMZXDH-UHFFFAOYSA-N 428.537 2.065 10 10 IECE C[C@H]1C(=O)N(C)CCN1c1nnc([C@@H]2CCCOC2)n1Cc1ccc(N(C)C)c(F)c1 1751983564 QJGLHIYXHNIKLM-DOTOQJQBSA-N 430.528 2.092 10 10 IECE C[C@@H](CC(N)=O)N(C)c1nnc([C@H]2CCOC2)n1Cc1ccc(N2CCSCC2)cc1 1761377534 INACNLCXBHJNKP-WMZOPIPTSA-N 444.605 2.084 10 10 IECE Cc1nnc(N2CCC[C@@H](NC(=O)C(C)C)C2)n1Cc1ccc(N2CCOCC2)c(F)c1 1762588101 OAJHCPZHSSMRRO-LJQANCHMSA-N 444.555 2.352 10 10 IECE CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(C)C)=C(N)O2 1864013584 DDUGQHKBPNYMCS-GOSISDBHSA-N 443.548 2.029 10 10 IECE CCN(C(=O)[C@H](C)N1C(=O)C(=Cc2cccs2)SC1=S)[C@@H]1CCS(=O)(=O)C1 2296554265 BOSHFUUYXQYLIF-NWDGAFQWSA-N 444.625 2.373 10 10 IECE CCOC(=O)[C@@H](CC)N1C(=O)C(=C2SC(=S)N(CCC(=O)O)C2=O)c2ccccc21 2326944811 HESZDTHDIIACTD-GFCCVEGCSA-N 448.522 2.421 10 10 IECE CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C 732074873 XJCCZCVQRJQNEN-IBGZPJMESA-N 430.936 2.143 10 10 IECE CN1CCN(S(=O)(=O)c2ccc(N3CC=C(c4ccc(Cl)nc4)CC3)nc2)CC1 773247535 NHVPEYCPMYJZLE-UHFFFAOYSA-N 433.965 2.360 10 10 IECE CCn1nccc1CN(CCO)CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 796473745 JVPXPGCRFDCOHN-UHFFFAOYSA-N 432.480 2.111 10 10 IECE 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CS(=O)(=O)[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCCSc2nccs2)C1 1750200624 TUMXPUGTPJAQFH-KGLIPLIRSA-N 443.620 2.044 10 10 IECE C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(N(C)C)c(F)c2)C[C@@H]1F 1770639672 FPJNFUAGGKCJDX-KMFMINBZSA-N 439.532 2.228 10 10 IECE CCCn1nc(C)c2c1OC(N)=C(C(=O)N1C[C@H](C)O[C@H](C)C1)[C@@H]2c1ccc(O)c(O)c1 1865025911 FGGXWXNIDDLBTA-QHRIQVFBSA-N 442.516 2.343 10 10 IECE COC(=O)c1cc2ccccc2c(CN2CCN(CC(=O)Nc3cc(C)on3)CC2)c1O 28747943 YBPQNKAIDBJAAT-UHFFFAOYSA-N 438.484 2.385 10 10 IECE COc1ccc(N2CCN(C(=O)C3CCN(c4ccc(-n5cccn5)nn4)CC3)CC2)cc1 62163228 BKILGXBRULDRKF-UHFFFAOYSA-N 447.543 2.236 10 10 IECE CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCc1ccc(N2CCNC(=O)C2)cc1 106186885 PFJHYWKBJVQHEY-OAQYLSRUSA-N 442.947 2.347 10 10 IECE O=S(=O)(C[C@H]1CCCO1)c1ccc(NS(=O)(=O)c2cccc3nsnc23)cc1 521329081 ORGXBKGRVSLBLQ-CYBMUJFWSA-N 439.540 2.445 10 10 IECE COC(=O)/C=C\c1ccc(N2CCC(CC(=O)N3CCN(C)CC3)CC2)c([N+](=O)[O-])c1 731351822 AMDFJDYDGNUZHF-XQRVVYSFSA-N 430.505 2.162 10 10 IECE 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CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)[C@H]2CCC(=O)N(c3cnn(C)c3)C2)cc1 1598293126 VUZCGAYRGNNMOZ-UGKGYDQZSA-N 439.560 2.437 10 10 IECE C[C@@H](CN1CCOCC1)Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccccc1O 1611622131 XYAMLAAOQKXAHA-ICSRJNTNSA-N 429.565 2.482 10 10 IECE CC[C@H]1C(=O)NCCN1c1nnc(Cc2cccnc2)n1Cc1ccc(N(C)C)cc1C 1614077776 BYIJYEBFLXYDRN-NRFANRHFSA-N 433.560 2.401 10 10 IECE C[C@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)N1CCC(O)(CN(C)C)CC1 1620462684 JNROUWXZDFLBCT-MRXNPFEDSA-N 435.524 2.178 10 10 IECE COc1ccc(N2CCN(C[C@@H](O)CN3CCN(c4cccc(F)c4)CC3)CC2)cc1 1620507829 ZBVXVZSSZTWBAR-HSZRJFAPSA-N 428.552 2.139 10 10 IECE C[C@H]1CN(c2ccc(CNC(=O)c3cc(S(N)(=O)=O)c(Cl)o3)cc2F)C[C@H](C)O1 1626159386 XBPKWQQSSAROEL-QWRGUYRKSA-N 445.900 2.263 10 10 IECE COc1ccc(N2CCCN(C(=O)NCCCc3ccc(S(N)(=O)=O)cc3)CC2)cc1 1638975510 VYIZQMRNPPZTJQ-UHFFFAOYSA-N 446.573 2.197 10 10 IECE CN(C)c1ccc(CNC(=O)CN2C(=O)N[C@]3(CCc4cc(Cl)ccc43)C2=O)cc1 1643805733 JUHQUAYMOCCLGG-QFIPXVFZSA-N 426.904 2.416 10 10 IECE COc1ccc(N2CCN(C[C@H](O)CN3CCN(C)C[C@@H]3Cc3ccccc3)CC2)cc1 1654950226 FXSUKMAOCIEXAA-DQEYMECFSA-N 438.616 2.037 10 10 IECE Cc1cc(C(=O)N2CCN(C(=O)NCc3ccc(N4CCN(C)CC4)cc3)CC2)c(C)o1 1675580540 PQYDRHOHEFUREF-UHFFFAOYSA-N 439.560 2.316 10 10 IECE COC(=O)c1cc2n(n1)CCC[C@H]2NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C 1676601658 MEQPQUWSXAKFDY-XLIONFOSSA-N 428.537 2.173 10 10 IECE CC[S@](=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(N2CCCC2)cc1 1729239954 UMMKBEYLFKHRHS-KKIUXKEOSA-N 444.605 2.234 10 10 IECE CCOCc1nnc(N(C)C[C@@H](C)C(=O)NC)n1Cc1ccc(N2CCSCC2)cc1 1767765615 JETCEXGRWIUHBI-QGZVFWFLSA-N 446.621 2.234 10 10 IECE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1CCCn2c(-c3cnccn3)nnc21 1772502086 YJYJXRBUNPKIDV-LJQANCHMSA-N 433.516 2.108 10 10 IECE CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(Br)cc3)C(=N)N21 2297345203 BUBQWHZLXQXOMJ-UHFFFAOYSA-N 427.305 2.460 10 10 IECE CN1CCN([C@@H](CNS(=O)(=O)CCc2ccccc2)c2ccc(N(C)C)cc2)CC1 22589508 WKRSYOBCYXKBQP-QHCPKHFHSA-N 430.618 2.203 10 10 IECE C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S 33545738 KBXYGTSJFRYESQ-KWTWYFBESA-N 444.987 2.233 10 10 IECE CC(C)S(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(Br)o3)C(=N)N21 96460897 NZKWRYOLMOKSFI-YYHWNVOSSA-N 431.293 2.442 10 10 IECE COc1ccc(N2CCCN(c3nnc([C@H]4COCCO4)n3C[C@H]3CCOC3)CC2)cc1 812429196 GSBQRTQPHJGMRU-WIYYLYMNSA-N 443.548 2.128 10 10 IECE COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 917104577 IESFGZCTKFEEMO-CUWPLCDZSA-N 433.524 2.085 10 10 IECE Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1 1151860628 GYYCDFNCSWFWAK-QHCPKHFHSA-N 436.556 2.214 10 10 IECE CN(C)c1ccc([C@@H](CNC(=O)c2cn3c(n2)COCC3)NC(=O)OC(C)(C)C)cc1 1293793986 VHFTVKSMKYRSHI-QGZVFWFLSA-N 429.521 2.475 10 10 IECE NC(=O)C[C@H](NC(=O)c1ccccc1F)C(=O)N(Cc1ccco1)Cc1ccccc1O 1294671214 FWTXVLHFOQFTMI-IBGZPJMESA-N 439.443 2.327 10 10 IECE C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCSc2nccs2)CCO1 1305193017 QKGKXNLUGNDOFN-KGLIPLIRSA-N 443.620 2.044 10 10 IECE CCCNC(=O)C1CCN(c2nnc(CC)n2Cc2ccc(N3CCOCC3)cc2)CC1 1313475245 TTZVVVCVAAMLGY-UHFFFAOYSA-N 440.592 2.468 10 10 IECE COc1ccc(N2CCN(c3nnc(C(=O)NC(C)C)n3CCCCCO)CC2)cc1F 1315512166 JKGOCCMNPYXJIV-UHFFFAOYSA-N 448.543 2.053 10 10 IECE CCOc1ccc(N2CCN(C(=O)C3=NO[C@H](CNC(=O)OC(C)(C)C)C3)CC2)cc1 1321198299 VXASBCQAPWWGDB-SFHVURJKSA-N 432.521 2.404 10 10 IECE COCCn1c(C)c(C)c2cc(C(=O)N3C[C@@H](C(=O)OC)CC[C@H]3C(=O)OC)ccc21 1437766350 CNZARWJUGKSYFR-PXNSSMCTSA-N 430.501 2.471 10 10 IECE CC[C@H](C)c1nnc(N2CCN(C(=O)NC)CC2)n1Cc1ccc(N2CCOCC2)cc1 1495690204 MVGPZFMLGGFPDK-SFHVURJKSA-N 441.580 2.138 10 10 IECE CCN1CCCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(N(C)C)cc2C)CC1=O 1502305844 GPYWHBAZGJQDBN-IBGZPJMESA-N 426.565 2.263 10 10 IECE COCCNS(=O)(=O)c1cccc(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)c1 1540487167 PEQVCSCSPMNYGK-UHFFFAOYSA-N 431.558 2.484 10 10 IECE COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)C[C@H](CNC(=O)OC(C)(C)C)OC 1546152224 XRJZEANZTNDEOX-OAHLLOKOSA-N 444.912 2.477 10 10 IECE CCc1nnc(N2CCC3(CC2)NC(=O)N(C)C3=O)n1Cc1ccc(N(CC)CC)cc1 1546487422 JUSXMGXTMAMVNK-UHFFFAOYSA-N 439.564 2.256 10 10 IECE Cn1cc([C@@H]2CN(C(=O)/C=C\c3ccc(O)c(O)c3)C[C@H]2NC(=O)OC(C)(C)C)cn1 1570565687 YGXXLJFEIYVDIN-YSNMCSLZSA-N 428.489 2.364 10 10 IECE COC(=O)[C@H](CCC1OCCO1)NC(=O)Cn1c2c(c3cc(OC)ccc31)CCCC2 1587982903 ZEXJXYGMYPODOK-SFHVURJKSA-N 430.501 2.340 10 10 IECE C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 1598211888 ICVZSEMHTYYBFL-HRQBQTGPSA-N 444.625 2.279 10 10 IECE O=C(NCc1ccc(N2CCC(O)CC2)cc1)[C@@H](O)[C@@](O)(c1ccccc1)C(F)(F)F 1633794702 SUOPUEMMKRDMJE-CTNGQTDRSA-N 438.446 2.075 10 10 IECE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)N3CC=CC34CCCC4)CC2)cc1 1674219312 NQDTYKKMGHDXKM-UHFFFAOYSA-N 448.589 2.041 10 10 IECE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N1CCC[C@H]1[C@@H](O)c1ccccc1 1674276553 JTSDAWUWALOHSA-VXKWHMMOSA-N 443.569 2.329 10 10 IECE Cn1ccnc1[C@@H]1C[C@H](NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)CCO1 1681913407 AZKFYJZLHKQOIJ-CTNGQTDRSA-N 427.549 2.348 10 10 IECE C[C@H](NC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1)[C@H](C)NC(=O)OC(C)(C)C 1686552159 JTUSHFISTQBFBJ-HOTGVXAUSA-N 447.580 2.489 10 10 IECE Cc1noc(C[C@H]2CCCN(C(=O)NCc3ccc(N4CCC(C(N)=O)CC4)cc3)C2)n1 1687631879 GLCQDEITHFYLSB-GOSISDBHSA-N 440.548 2.244 10 10 IECE CC(C)c1nnc(N(C)Cc2ccc(N3CCOCC3)cc2)n1C[C@]1(O)CCO[C@H]1C 1723139449 JHAKPVVECQDIFA-FDDCHVKYSA-N 429.565 2.414 10 10 IECE Cc1cc(N(C)C)ccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2[C@H](C1)C2(C)C 1761698364 WGFQQADEZJBDCV-SNRMKQJTSA-N 446.621 2.403 10 10 IECE CN(C)c1ccc([C@H](NC(=O)Cc2ccc(S(C)(=O)=O)cc2)c2nccn2C)cc1 1866207536 KKKOKWPOOGPCOQ-NRFANRHFSA-N 426.542 2.338 10 10 IECE C[C@H]1CCc2c(sc(NS(=O)(=O)c3ccc4c(c3)NC(=O)[C@H](C)O4)c2C(N)=O)C1 71555648 RJJQDBBQCZZCNV-UWVGGRQHSA-N 435.527 2.492 10 10 IECE COc1ccc(-n2cc(CNC(=O)N(C)Cc3ccc(N4CCOCC4)cc3)nn2)cc1 755212864 PYDORMNRMOPGJF-UHFFFAOYSA-N 436.516 2.454 10 10 IECE CC[C@]1(C2CC2)NC(=O)N(CC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)C1=O 758772700 BLXQVKPRWONMOW-HUYGQZFBSA-N 446.523 2.166 10 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CCOCc1nnc(N2CC[C@@]3(CNC(=O)C3)C2)n1Cc1ccc(N(CC)CC)cc1 1314357271 YKQDGUGTFGMLOB-HSZRJFAPSA-N 426.565 2.426 10 10 IECE CON(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCC(C)CC2)cc1 1316305202 UTEGIQSMFVQMGL-MRXNPFEDSA-N 436.582 2.171 10 10 IECE Cc1cc(CC(=O)Nc2cccn(CCS(C)(=O)=O)c2=O)c(C)n1-c1ccccc1 1358115379 BBWOFCPGZSLLPI-UHFFFAOYSA-N 427.526 2.482 10 10 IECE CC(C)c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1359687949 FLRWDQOYYROAKW-SFHVURJKSA-N 440.592 2.325 10 10 IECE Cc1nc2n(n1)C[C@@H](NC(=O)CCN1C(=O)/C(=C/c3ccc(F)cc3)SC1=S)CC2 1359806099 JPJMXQAZVPHFSX-HEUOVEHFSA-N 445.545 2.448 10 10 IECE CC1=C(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)[C@@H](C)n2nnnc2N1C 1445880586 HJGRGUWVYZLMNC-CZUORRHYSA-N 431.928 2.098 10 10 IECE COc1ccc(N2CCCN(C(=O)Cc3csc(S[C@@H](C)C(N)=O)n3)CC2)cc1 1527714602 CANQFJLHFGMLAV-AWEZNQCLSA-N 434.587 2.399 10 10 IECE COC(=O)c1ncoc1COCC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 1543233008 ARZJIKILQHXVTD-KBPBESRZSA-N 435.452 2.047 10 10 IECE COc1ccc(N2CCN(CC(=O)N3CCN(Cc4ccsc4)CC3)CC2)c(OC)c1 1560083339 UKNSXROJOXGYOP-UHFFFAOYSA-N 444.601 2.232 10 10 IECE COCCN(Cc1ccc(C)o1)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1636796930 UJROQGMZMRTXOV-UHFFFAOYSA-N 435.546 2.181 10 10 IECE CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C 1637005038 ZXWXUORPLXQRES-ROUUACIJSA-N 431.541 2.312 10 10 IECE CC[C@H]1C(=O)NCCN1c1nnc(Cc2ccncc2)n1Cc1ccc(N(C)C)cc1C 1694790138 IFBRQNSRZLVMCC-NRFANRHFSA-N 433.560 2.401 10 10 IECE Cc1nnc(N2CCCN(CC(=O)N3CCCC3)CC2)n1CCCSc1nccs1 1762597805 YOTPYDZJWZBHPW-UHFFFAOYSA-N 449.650 2.360 10 10 IECE CC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861917972 HJNZNEDKGVYQIW-FQEVSTJZSA-N 426.473 2.461 10 10 IECE CC[C@H](C(=O)N1CCN(c2ccc(OC)cc2)CC1)N1C(=O)c2cccc(OC)c2C1=O 1865850952 XMVYZTWDCKEATG-LJQANCHMSA-N 437.496 2.427 10 10 IECE O=C(CCN1C(=O)C(=Cc2ccccc2Cl)SC1=S)N[C@H]1C=CS(=O)(=O)C1 2296566865 UROQINIMQDOYCG-LBPRGKRZSA-N 442.971 2.358 10 10 IECE C[C@@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)N1CCN(c2cccnn2)CC1 725804735 BRWWLVQLCUDMAD-INIZCTEOSA-N 441.491 2.401 10 10 IECE C[C@H](NC(=O)N1CCN(C[C@@H]2CCCCN2C)CC1)c1ccc(N2CCOCC2)cc1 731120095 NGZYREVFBFYZMF-REWPJTCUSA-N 429.609 2.396 10 10 IECE O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21)NCc1cc(Br)ccc1O 804735786 FNAJSSLQOOQRDW-INWMFGNUSA-N 428.352 2.497 10 10 IECE CCc1ccccc1-n1cc(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)nn1 1125258131 USZNVLLXZNBFJO-IBGZPJMESA-N 432.528 2.461 10 10 IECE CN(C)c1ccc([C@@H](CNC(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])N(C)C)cc1 1134881991 JLCBPXGUZIOHGQ-LJQANCHMSA-N 434.518 2.097 10 10 IECE COc1ccc(N(C)CCN(C)C(=O)c2cc(S(N)(=O)=O)cc(Cl)c2F)cc1 1144867914 FEHNBZUGZOJCMU-UHFFFAOYSA-N 429.901 2.344 10 10 IECE CCc1nnc(N2CCN(C(=O)C(C)C)CC2)n1Cc1ccc(N2CCOCC2)cc1 1293078471 MHUHVNBCKCDUJP-UHFFFAOYSA-N 426.565 2.030 10 10 IECE COc1ccc(N2CCN(c3nnc(C(C)C)n3CCCS(C)(=O)=O)CC2)cc1F 1315512923 PSFKPEKVGPWMLE-UHFFFAOYSA-N 439.557 2.311 10 10 IECE 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CCNS(=O)(=O)c1cccc(CNC(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)c1 1681880031 LRDXAWBSKAMGOL-GOSISDBHSA-N 446.573 2.319 10 10 IECE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)NC[C@H]1CCC[C@@H](C(F)(F)F)O1 1683896650 LQGKWLHWCSDJHY-SJORKVTESA-N 449.495 2.221 10 10 IECE CC[C@H](C)c1nnc(N2CCS(=O)CC2)n1Cc1ccc(N2CCOCC2)c(F)c1 1708564381 LFILPNLRDRIOEI-INIZCTEOSA-N 435.569 2.384 10 10 IECE CC[S@](=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ccccc1O 1729239241 QKQGUJLKPCIXCJ-PMERELPUSA-N 431.518 2.116 10 10 IECE CCO[C@]1(c2nnc(N(C)Cc3ccccc3O)n2Cc2nnc(C)s2)CCOC1 1746659606 RJDGAXQSSIHLBF-HXUWFJFHSA-N 430.534 2.480 10 10 IECE COc1ccc(N2CCN(c3nnc(-c4cnn(C)c4)n3CCCCCO)CC2)cc1F 1768704375 BCPNORCBLYTABF-UHFFFAOYSA-N 443.527 2.316 10 10 IECE COc1ccc(N2CCN(C(=O)CN=c3nc(O)cc(-c4ccccc4F)[nH]3)CC2)cc1 1858525402 QWIXABIPDFHLOK-UHFFFAOYSA-N 437.475 2.180 10 10 IECE COCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cccc(C)c2)[nH]1 1871649459 HJFGHBFNBJLTEM-UHFFFAOYSA-N 449.559 2.161 10 10 IECE O=C(N[C@@H](CS(=O)(=O)Nc1ccc(O)cc1Cl)C(=O)O)OCc1ccccc1 2258180798 FTTACCWSTAWPRD-HNNXBMFYSA-N 428.850 2.167 10 10 IECE NC(=O)C[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S 2314542115 SIGNFWWLCUGFSV-LBPRGKRZSA-N 447.450 2.385 10 10 IECE CS(=O)(=O)N[C@H]1CCN([C@@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)C1 735084014 AFJVCKJICUWLAJ-PKOBYXMFSA-N 441.513 2.357 10 10 IECE O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)C1C[C@H]2COC[C@@H](C1)C2=O 739522205 GFGPXIXDCWCHER-MQVJKMGUSA-N 426.435 2.400 10 10 IECE COc1ccc(N2CCN(CCNC(=O)NCCCNc3ccc(C)cn3)CC2)cc1 742939449 FUFOMDYOTZTFEA-UHFFFAOYSA-N 426.565 2.322 10 10 IECE O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCOC[C@H]1C[C@H](O)c1ccco1 756686433 QQYDJMFYBCFMEA-XLIONFOSSA-N 433.480 2.289 10 10 IECE C[C@H]1CN(c2ccc(CNC(=O)COC(=O)Cc3ccc(F)cn3)cc2F)C[C@@H](C)O1 795891612 AJVMCSOXJVMFGV-GASCZTMLSA-N 433.455 2.376 10 10 IECE COC(=O)c1c(F)ccc(NC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)c1C 810262659 VFDRCIDKLUCMME-UHFFFAOYSA-N 449.504 2.477 10 10 IECE 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CCN(CCS(C)(=O)=O)c1nnc([C@H]2CCCO2)n1Cc1ccc(N(C)C)cc1C 1615673555 UHYYWFBFROZAIQ-LJQANCHMSA-N 435.594 2.423 10 10 IECE CC(=O)N1CCN(c2ccc(CNC(=O)c3cc4nccc(C(F)(F)F)n4n3)cc2)CC1 1616252134 OKRKVHDCANHIKV-UHFFFAOYSA-N 446.433 2.347 10 10 IECE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cncc2nc(C(F)(F)F)[nH]c12 1638030528 NDDYLSBVEHKMNK-NSHDSACASA-N 438.362 2.292 10 10 IECE CCOC(=O)CN(CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)Cc1ccccc1 1657116029 UUNFCIILHMFNJB-UHFFFAOYSA-N 443.519 2.344 10 10 IECE COc1ccc(N2CCN(C[C@@H](O)CN[C@H](c3ccncc3)C3(CO)CCC3)CC2)cc1 1659575102 TWPHFUUAEUJOBL-LADGPHEKSA-N 440.588 2.067 10 10 IECE CC[C@H](CNC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)C(=O)OC(C)(C)C 1674276339 BNTWZHPRJGRYHF-QGZVFWFLSA-N 439.578 2.089 10 10 IECE COc1ccc(N2CCN(C(=O)N[C@@H]3CCN(c4ccc(F)cc4)C3=O)CC2)c(OC)c1 1683192383 OAXKLTUBNZYJIS-LJQANCHMSA-N 442.491 2.480 10 10 IECE CNC(=O)c1ccc(CN(C)C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)cc1 1684169871 UZFUSCLFEPNDHN-UHFFFAOYSA-N 437.544 2.090 10 10 IECE O=C(CCCN1C(=O)C(=Cc2cccc(F)c2)SC1=S)N[C@H]1C=CS(=O)(=O)C1 2296599755 PHMBUWLQHBLWSZ-AWEZNQCLSA-N 440.543 2.234 10 10 IECE O=C(CCN1C(=O)C(=CC=Cc2ccccc2)SC1=S)N[C@H]1CCS(=O)(=O)C1 2296605632 CBTFVYKADSXHAX-HNNXBMFYSA-N 436.580 2.137 10 10 IECE CCOc1ccc(C=C2SC(=S)N([C@@H](CCC(N)=O)C(=O)O)C2=O)cc1OCC 2323813726 WSIDMZULORAXLG-LBPRGKRZSA-N 438.527 2.404 10 10 IECE COc1ccc(C)cc1S(=O)(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCOCC1 21754587 NRKNBJVUQFDURH-FQEVSTJZSA-N 433.574 2.421 10 10 IECE CN(C(=O)CN1C(=O)/C(=C/C=C\c2ccccc2)SC1=S)[C@@H]1CCS(=O)(=O)C1 33588168 SVKYRVGTZXUIPX-GYINCSFVSA-N 436.580 2.090 10 10 IECE O=C1/C(=C/N2CCN(Cc3ccc4c(c3)OCO4)CC2)SC(=S)N1C[C@@H]1CCCO1 102676190 WQYSHHVCGHXWTG-UEIJICEPSA-N 447.582 2.414 10 10 IECE COc1ccc(N2CCN(CCNC(=O)NCc3nc(-c4ccccc4)n[nH]3)CC2)cc1 729815439 APKXEJGAFVLSDZ-UHFFFAOYSA-N 435.532 2.102 10 10 IECE COc1ccc(N2CCN(CCNC(=O)CCn3cnc4c(C)cccc4c3=O)CC2)cc1 742920186 GHHBYFXOBVHVFH-UHFFFAOYSA-N 449.555 2.042 10 10 IECE COc1ccc(N2CCN(C[C@@H](O)CN3CCc4cc(OC)c(F)cc4C3)CC2)cc1 754233845 MZQPMFBOZOKPNA-OAQYLSRUSA-N 429.536 2.384 10 10 IECE COC(=O)c1ncccc1OCC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 755820448 DEFRLCPNWVMFFQ-GJZGRUSLSA-N 431.464 2.316 10 10 IECE C[C@@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)N1CCO[C@@H](C(=O)C2CC2)C1 801543050 ORRPZNXNPUWWDF-VBKZILBWSA-N 432.476 2.469 10 10 IECE COC(=O)[C@@]1(CNC(=O)c2cc(C)n(-c3cc(C)cc(C)c3)c2C)C[C@@H]1S(C)(=O)=O 1176825984 WRIYCNHVAPYWEN-SIKLNZKXSA-N 432.542 2.417 10 10 IECE CCOC(=O)C1=C(COc2ccc(N(C)C)c(C(=O)OC)c2)NC(=O)N[C@@H]1c1ccco1 1307388244 ANXOKZNHKXNBAK-LJQANCHMSA-N 443.456 2.382 10 10 IECE CCOCCN1CCN(c2nnc(C)n2Cc2ccc(N3CCOCC3)cc2)C[C@@H]1CC 1314497773 UUCKIIGIHBFVFL-QFIPXVFZSA-N 442.608 2.409 10 10 IECE COC[C@@]1(C(=O)NCc2ccc3c(c2)CCCN3C)CN(C(=O)OC(C)(C)C)CCO1 1464518261 JEKSCTKCYBGSAI-HSZRJFAPSA-N 433.549 2.338 10 10 IECE CCN(CC)c1ccc(Cn2c(C)nnc2N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)cc1 1501835322 VMOPOFSEPLHOCF-FQEVSTJZSA-N 439.564 2.248 10 10 IECE CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccccn2)n1Cc1ccc(N(C)C)c(F)c1 1517449238 AANNFOWPWRDIEW-OAHLLOKOSA-N 425.512 2.412 10 10 IECE CC(C)(CO)c1nc2ccc(C(=O)Nc3cccc(N4CCS(=O)(=O)CC4)c3)cc2[nH]1 1542273617 WHTTXDJZCUWKSH-UHFFFAOYSA-N 442.541 2.320 10 10 IECE CC(C)(C)OC(=O)N[C@H](CO)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 1611011703 RVRKLYJAMWYSLD-MRXNPFEDSA-N 429.464 2.259 10 10 IECE O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1cccc(N2CCCS2(=O)=O)c1 1630282999 MWQRWXXQPLKWEL-UHFFFAOYSA-N 429.542 2.118 10 10 IECE NC(=O)C1CCN(c2ccc(CNC(=O)NCCOCC(F)(F)C(F)F)cc2)CC1 1634962117 NSZBSMDCKDJHDV-UHFFFAOYSA-N 434.434 2.105 10 10 IECE COc1ccc(N2CC[C@H](NC(=O)[C@@]34CN(C(=O)OC(C)(C)C)C[C@@H]3CCO4)C2)cc1 1640264727 FBLYJSMOSDJSAB-HKARXFIJSA-N 431.533 2.416 10 10 IECE CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 1641201116 QWDOPBAJIGNKJZ-SFHVURJKSA-N 430.509 2.105 10 10 IECE C[C@H](NC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12)c1ccccc1O 1642831376 YYXYIUJDGAPCCB-GARXJVFOSA-N 438.546 2.240 10 10 IECE COc1cc(N2CCN(C(=O)NCc3ccc4nonc4c3)CC2)cc(OC)c1OC 1684590599 SYCGHYMESQAWIX-UHFFFAOYSA-N 427.461 2.280 10 10 IECE CCO[C@@]1(c2nnc(N(C)Cc3ccccc3O)n2CC2([S@@](C)=O)CC2)CCOC1 1710430081 QVANAVLIGVGPFK-URAOTHONSA-N 434.562 2.183 10 10 IECE CCOCc1nnc(N2CCC[C@@H](NC(C)=O)C2)n1Cc1ccc2c(c1)CCCN2C 1729050264 XHHLOTFQTLSMLQ-HXUWFJFHSA-N 426.565 2.350 10 10 IECE CCO[C@@]1(c2nnc(N(C)Cc3ccccc3O)n2Cc2nnc(C)s2)CCOC1 1746659605 RJDGAXQSSIHLBF-FQEVSTJZSA-N 430.534 2.480 10 10 IECE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)NCCCSc1nccs1 755317110 LHXDEEJSUJDABL-CYBMUJFWSA-N 428.580 2.257 10 10 IECE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCc1cnc(N2CCOCC2)c(F)c1 765893263 RUDLIKPIUAUUTN-UHFFFAOYSA-N 443.523 2.236 10 10 IECE C[C@@H]1CN(c2ccc(CNC(=O)CN(C)Cc3cnc(N(C)C)nc3)cc2F)C[C@@H](C)O1 780324468 QFBXCIINUNKSCZ-IAGOWNOFSA-N 444.555 2.044 10 10 IECE CN(CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)Cc1cnc(N(C)C)nc1 780325558 HKDJLAFMKZNOJY-UHFFFAOYSA-N 429.480 2.389 10 10 IECE C[C@H](N[C@@H](C)C1(S(C)(=O)=O)CC1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 794740272 GENFGEJZBCVDHC-KBPBESRZSA-N 440.521 2.344 10 10 IECE COc1ccc(N2CCC(NC(=O)C(=O)NCc3ccn(C4CCCC4)n3)CC2)cc1 804318045 XJIBCTFOWOKXRX-UHFFFAOYSA-N 425.533 2.408 10 10 IECE COc1ccc(N2CCN(CCCNC(=O)NCc3c4c(nn3C)CCCC4)CC2)cc1 812928691 DMEFOZOUEVUJHE-UHFFFAOYSA-N 440.592 2.319 10 10 IECE COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O 1137816998 XQLRLKYEJDPFCT-IYBDPMFKSA-N 436.892 2.113 10 10 IECE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@]1(C)C[C@H](O)CN1C(=O)OCc1ccccc1 1138152732 OJVGESBEECPTKD-TWWFPWMWSA-N 428.485 2.307 10 10 IECE CNC(=O)CCCN(C)c1nnc(Cc2cccnc2)n1Cc1ccc(N(C)C)c(F)c1 1299194991 LSEZOAJMMKBAJR-UHFFFAOYSA-N 439.539 2.480 10 10 IECE C[C@H](CC(=O)NCc1ccc2cccnc2c1O)NS(=O)(=O)c1cccnc1Cl 1299721646 OFZIFPRHCORPTF-GFCCVEGCSA-N 434.905 2.362 10 10 IECE CCc1nnc(N2CCC(NC(=O)COC)CC2)n1Cc1ccc2c(c1)CCCN2C 1306142385 BDPHSKBITXCPCL-UHFFFAOYSA-N 426.565 2.003 10 10 IECE COCCN1CCN(c2nnc([C@H]3CCOC3)n2CCCSc2nccs2)CC1 1316136769 XCCCJYYFLHOTOT-INIZCTEOSA-N 438.623 2.189 10 10 IECE COc1ccc(N2CC[C@H](CNC(=O)c3cc([N+](=O)[O-])cc(S(C)(=O)=O)c3)C2)cc1 1436972405 PQNSLQZWKGRSCA-CQSZACIVSA-N 433.486 2.263 10 10 IECE CC(C)(C)OC(=O)N1Cc2n[nH]cc2[C@H]1C(=O)NCc1ccc(N2CCOCC2)cc1 1442237792 XBAYHOXAURZUHS-IBGZPJMESA-N 427.505 2.355 10 10 IECE CCOC(=O)CC(=O)CSCC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 1458977645 GRLHUMIJEIWXLL-GASCZTMLSA-N 440.537 2.311 10 10 IECE CO[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccccc1O)C(C)(C)C 1503969783 WPRNQKLHYGGPIJ-YOEHRIQHSA-N 439.582 2.291 10 10 IECE CC(C)(C)OC(=O)N1CC(C)(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C1 1534540499 NACFSBTXPCFAJV-KRWDZBQOSA-N 430.549 2.262 10 10 IECE COc1ccc(N2CC[C@H](CNC(=O)N3CCC([C@@H](O)c4ccnn4C)CC3)C2)cc1 1564963312 WNPARNGVBFOBPH-VGOFRKELSA-N 427.549 2.410 10 10 IECE COc1ccc(-n2nnc(C(=O)NCc3ccc(N4CCC(C(N)=O)CC4)cc3)c2C)cc1 1584506743 HXVVOTHTPJGBNC-UHFFFAOYSA-N 448.527 2.216 10 10 IECE CCN(CC)c1ccc(Cn2c(CC3CC3)nnc2N2C[C@@H](O)[C@H](CC(=O)OC)C2)cc1 1615381691 CSHZFTDSAKMNSO-TZIWHRDSSA-N 441.576 2.485 10 10 IECE COc1ccc(N2CC[C@H](CNC(=O)c3cc(S(N)(=O)=O)cc(Cl)c3F)C2)cc1 1630618800 IFFOFBXXOXVRCF-GFCCVEGCSA-N 441.912 2.391 10 10 IECE O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])NCc1ccc(N2CCCCC2)cc1 1639735115 QTLVYNBGPVHCOW-UHFFFAOYSA-N 432.502 2.180 10 10 IECE COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(N4CCCS4(=O)=O)cc3)C2)cc1 1671404511 LGOSTRYUIGRZGO-SFHVURJKSA-N 444.557 2.313 10 10 IECE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCCNS(=O)(=O)Cc1ccccc1 1673745458 UQKCVMDBBCKAIJ-GOSISDBHSA-N 432.590 2.411 10 10 IECE COc1ccc(N2CCN(c3nnc([C@H]4CCC(=O)N4)n3CCOC(C)C)CC2)cc1F 1711865599 ARVAKIYPLRBNQT-GOSISDBHSA-N 446.527 2.129 10 10 IECE CCN1CCCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(N(C)C)c(F)c2)CC1=O 1765479225 ABGCTEDIJGTBAB-GOSISDBHSA-N 444.555 2.484 10 10 IECE CN(Cc1ccc(N2CCOCC2)cc1)c1nnc([C@@H]2CCOC2)n1CCC(C)(C)O 1767080060 BWVGZUZYNLTRIE-LJQANCHMSA-N 429.565 2.416 10 10 IECE NS(=O)(=O)c1ccc(-c2ccc(/C=C3\C(=O)NN(c4cccc(F)c4)C3=O)o2)cc1 2123907 AUPWAITXUHQWTP-GZTJUZNOSA-N 427.413 2.195 10 10 IECE CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CCC(CNS(C)(=O)=O)CC2)C1 552880674 PWYXASCHFQQTBQ-UHFFFAOYSA-N 446.617 2.196 10 10 IECE CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C 735773476 OZMJRVMKDRSZDO-IBGZPJMESA-N 449.529 2.105 10 10 IECE Cc1ccnc(Cn2c(=CC(=O)C3CC3)sc(=Cc3ccc4c(c3)CCCN4C)c2=O)n1 755413403 SCMXMMGFIZQXHH-UHFFFAOYSA-N 446.576 2.027 10 10 IECE COC(=O)/C=C\c1ccc(N2CCN(C)C[C@@H]2CNC(=O)OC(C)(C)C)c([N+](=O)[O-])c1 764385977 BZWONYPNSUMCFF-GQSKFBFOSA-N 434.493 2.426 10 10 IECE COc1ccc(CNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)c(O)c1 794377977 BOCIDQJGULIFMY-UHFFFAOYSA-N 433.530 2.181 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N(C)C[C@H](C)C(=O)OC(C)(C)C)CC2)cc1 1142045390 AIXPEFFNWHRFNR-DXRVJIQQSA-N 445.560 2.336 10 10 IECE COc1ccc(CNC(=O)NCc2ccc(CN3CCC(C(N)=O)CC3)cc2)c(O)c1 1230109742 OSCWIUKHLMILRG-UHFFFAOYSA-N 426.517 2.098 10 10 IECE CC(C)NC(=O)c1nnc(N(C)Cc2ccccc2O)n1CC(=O)NC1CCCCC1 1288043006 HCFWDCMGRKXQON-UHFFFAOYSA-N 428.537 2.207 10 10 IECE Cc1cc(N(C)C)ccc1Cn1c(N2CCC(OCC(N)=O)CC2)nnc1C(C)(C)C 1361098052 MSZHJDXNCRABCW-UHFFFAOYSA-N 428.581 2.469 10 10 IECE CCc1nsc(N2CCCN(C(=O)NCc3ccc(N4CCN(C)CC4)cc3)CC2)n1 1471192070 VTOHYHVABAKKLD-UHFFFAOYSA-N 443.621 2.274 10 10 IECE COc1ccc(N2CCN(c3nnc(C)n3CCCNC(=O)C3CCC3)CC2)cc1F 1518306851 AWKDKNMQPDRERI-UHFFFAOYSA-N 430.528 2.367 10 10 IECE CCOC(=O)CN(Cc1ccccc1O)C(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O 1570514582 HZHOCZWUFHPMMD-UHFFFAOYSA-N 446.525 2.310 10 10 IECE COc1ccc(CNC(=O)/C=C/C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 1586863942 CARGCGDHZJTKKG-CMDGGOBGSA-N 441.503 2.284 10 10 IECE CCOCc1nnc(N2CCCN(c3ccc(OC)cc3)CC2)n1C[C@@]1(O)CCO[C@@H]1C 1616884834 TXPXXZIKFRYUQE-JPYJTQIMSA-N 445.564 2.080 10 10 IECE COC[C@H]1CN(c2nnc([C@H]3CCOC3)n2CCCSc2nccs2)CCO1 1619748815 XOYRNZKBAFCBQN-LSDHHAIUSA-N 425.580 2.273 10 10 IECE CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cnc2c(c1)NC(=O)CO2 1635489488 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NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@H]3CCCC[C@@H]3C(=O)N3CCCC3)cc2)C1 732756133 BJCRLWOKLPVZLG-HJNYFJLDSA-N 440.588 2.433 10 10 IECE COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3cncc4ccccc34)CC2)cc1 758985324 ABGHBSFCPPSGGF-UHFFFAOYSA-N 433.512 2.120 10 10 IECE C[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc(N(C)C)cc1 775406221 WBXPJGXLSKQTGQ-UUXHPUJUSA-N 435.590 2.040 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NCCCc3nc(C(C)C)no3)CC2)cc1 778253568 QEQCCEUETQIRBL-ZHACJKMWSA-N 441.532 2.155 10 10 IECE COCCN(Cc1ccnn1C)C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 786566613 XWIROCRKZWYDOA-UHFFFAOYSA-N 448.435 2.393 10 10 IECE C[C@@H]1CN(c2ccc(CNC(=O)N[C@H](CO)C[C@H](O)C(C)(C)C)cc2F)C[C@@H](C)O1 790671581 HSKXYFPOEKRDHS-UOSKARGWSA-N 425.545 2.397 10 10 IECE COc1ccc(N2CCN(C(=O)/C(=C\c3cccc(OC)c3)n3nnnc3C)CC2)cc1 818023915 CFAJNSGRLZQCIX-CJLVFECKSA-N 434.500 2.346 10 10 IECE CCN1CCN(c2ccc(CNC(=O)[C@H]3CCN(C)C[C@H]3c3cnn(C)c3)cc2F)CC1 849522637 MXKKODHFNRNXFW-SFTDATJTSA-N 442.583 2.053 10 10 IECE CN1C(=O)N(CC(=O)NCc2ccc(N3CCSCC3)cc2)C(=O)C12CCCCC2 917386167 QTJKFLHPYKPXDG-UHFFFAOYSA-N 430.574 2.453 10 10 IECE C[C@H](O)C1CN(C(=O)CN2C(=O)/C(=C\c3ccc(Br)cc3)SC2=S)C1 1152710217 JOHFLLNMJZDOCK-XPWNQWCVSA-N 441.372 2.490 10 10 IECE CCN(C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@H](CO)c1ccccc1 1312985154 YMDPYQAGBYKLJQ-OAQYLSRUSA-N 431.558 2.187 10 10 IECE CC(C)C(=O)NC[C@H]1CCCN(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)C1 1470449739 YXIYTYHDNZITKS-MRXNPFEDSA-N 438.519 2.495 10 10 IECE C[C@@H](CS(C)(=O)=O)N(C)C(=O)CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S 1521304620 PWKVMACFPRFGBI-GQVHDAKQSA-N 444.575 2.309 10 10 IECE Cc1cc(N(C)C)ccc1Cn1c(N(C)CC(=O)N2CCOCC2)nnc1C(C)(C)C 1542228732 SYBMTLOHAATOKJ-UHFFFAOYSA-N 428.581 2.293 10 10 IECE COc1ccc(N2CCCN(c3nnc([C@H]4CCCO4)n3CC(=O)NC(C)C)CC2)cc1 1554959339 MBUGQVCJKUNSPG-HXUWFJFHSA-N 442.564 2.380 10 10 IECE COc1ccc(N2CCN(c3nnc(CC(C)C)n3CCn3cncn3)CC2)cc1F 1554960343 GEWCVCMTWSEKPM-UHFFFAOYSA-N 428.516 2.243 10 10 IECE C[C@@H](Sc1nc(CC(=O)NCc2cccc(Br)c2O)cs1)C(N)=O 1556481121 MDTBXKCMKSLTGY-MRVPVSSYSA-N 430.349 2.436 10 10 IECE CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1598010234 WWHWWZZAZKXYLV-HXUWFJFHSA-N 428.577 2.432 10 10 IECE COc1ccc(N(C)CCN(C)C(=O)[C@H](O)[C@@](O)(c2ccccc2)C(F)(F)F)cc1 1640771865 SRJBVNQAKCPSKR-ICSRJNTNSA-N 426.435 2.401 10 10 IECE COCC(COC)N1CCN(C(=O)Cc2ccc(-n3c(C)cc(C=O)c3C)cc2)CC1 1642630482 BUTPWNCFDJGLFW-UHFFFAOYSA-N 427.545 2.255 10 10 IECE COc1ccc(N2CCN(C[C@@H](O)CN3CCC(c4ccc(OC)cn4)CC3)CC2)cc1 1654113943 CBUKYVTZUAXVHE-QFIPXVFZSA-N 440.588 2.461 10 10 IECE COc1ccc(N2CCN(C[C@@H](O)CN3CCN(C)C[C@H]3Cc3ccccc3)CC2)cc1 1654950227 FXSUKMAOCIEXAA-JWQCQUIFSA-N 438.616 2.037 10 10 IECE COCCN1C[C@H](Cn2c(-c3cccnc3)nnc2N(C)Cc2ccccc2O)CC1=O 1698076342 KWOAJWPZIAPGGZ-QGZVFWFLSA-N 436.516 2.177 10 10 IECE Cc1nnc(N2CCC(CC(=O)N(C)C)CC2)n1Cc1ccc(N2CCOCC2)c(F)c1 1707882686 MWHRJFQRQKZKRA-UHFFFAOYSA-N 444.555 2.305 10 10 IECE CN(Cc1ccccc1O)c1nnc(-c2cccn2C)n1CC1(CS(C)(=O)=O)CC1 1729419634 XJFWTHYIVDISJX-UHFFFAOYSA-N 429.546 2.450 10 10 IECE COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC=C1C(=O)NC(=O)N(c2ccccc2C)C1=O 2296270554 ZUPYAIJZYJKEEH-IBGZPJMESA-N 446.463 2.317 10 10 IECE O=C(Oc1cc(O)cc2c1C[C@@H](O)[C@H](c1ccc(O)c(O)c1)O2)c1cc(O)c(O)c(O)c1 14642856 LVJJFMLUMNSUFN-UTKZUKDTSA-N 442.376 2.177 10 10 IECE biogenic CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)Nc3cccc(N4CCOCC4)c3)ccc2O1 751541496 ZOYICVJSIPFNJI-HXUWFJFHSA-N 432.498 2.191 10 10 IECE Cc1cc(C(=O)CN(C)[C@@]2(CO)CC[C@@H](C)C2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 778430861 UPHNIVZPWJIIAB-QRQCRPRQSA-N 433.574 2.407 10 10 IECE C[C@@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NCc1cc(Br)ccc1O 804740442 HEXGLIAONAUJQO-MRXNPFEDSA-N 449.223 2.403 10 10 IECE CN1CC[C@](Cc2ccccc2)(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1=O 1136984122 IRBWVOGILNEBOU-VWLOTQADSA-N 439.531 2.494 10 10 IECE COc1ccc(N2CCN(C(=O)[C@H]3CCCN(CC(F)(F)F)C3=O)CC2)c(OC)c1 1454466339 JEXLSBNHMKPLFA-OAHLLOKOSA-N 429.439 2.153 10 10 IECE CCS(=O)(=O)CCN(C)c1nnc(C2CCC2)n1Cc1ccc(N2CCOCC2)cc1 1503251052 YTWQHSKUWBJKBZ-UHFFFAOYSA-N 447.605 2.301 10 10 IECE COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H]4CN(C(=O)C(F)(F)F)C[C@@H]4C3)C2)cc1 1565055749 JTMJNUCBGMKBKG-JYJNAYRXSA-N 440.466 2.326 10 10 IECE COc1ccc(CNC(=O)/C=C\C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 1586863943 CARGCGDHZJTKKG-HJWRWDBZSA-N 441.503 2.284 10 10 IECE COc1ccc(N2CCN(CCCNC(=O)/C=C\CN(C)CC(F)(F)F)CC2)cc1 1587447107 BLCUHOIYEMPYCH-HYXAFXHYSA-N 428.499 2.374 10 10 IECE CCN(CC)C(=O)CN1CCN(c2nnc(C)n2Cc2ccc(N(CC)CC)cc2)CC1 1615327605 ISDSENREZWVFQA-UHFFFAOYSA-N 441.624 2.471 10 10 IECE O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)N1CCOCC2(CCOCC2)C1 1635996653 IGDDVVINYVCNMN-UHFFFAOYSA-N 425.476 2.140 10 10 IECE COC(OC)C(=O)N1CCN(C(=O)c2ccc(C)c(-n3c(C)cc(C=O)c3C)c2)CC1 1640226238 ZSOLKQGKFKIQGU-UHFFFAOYSA-N 427.501 2.118 10 10 IECE O=C(N[C@@H]1CCCN(CCF)C1)c1cc(NS(=O)(=O)c2cccs2)ccc1O 1641694371 YVZVBIODRKTSGV-CQSZACIVSA-N 427.523 2.418 10 10 IECE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC(=O)N(C)C 1763192886 DASCFBCGMNATJL-HXUWFJFHSA-N 449.559 2.156 10 10 IECE CNC(=O)CCN(C)c1nnc([C@@H]2CCCOC2)n1Cc1ccc2c(c1)CCCN2C 1769309270 YJAXBGFKURTAER-LJQANCHMSA-N 426.565 2.175 10 10 IECE COc1ccccc1OC[C@H](O)CN(Cc1ccc(N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 256038489 PAUJFUCMSOHRKK-LEWJYISDSA-N 448.585 2.190 10 10 IECE C[C@@H]1C[C@H]1N1C[C@H](NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CC1=O 750639336 SMBGKBJNENSBHI-DDUZABMNSA-N 440.466 2.351 10 10 IECE CC(C)C(=O)N1CCN(C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)CC1 751059323 ZLSXZDHJVQFHDP-UHFFFAOYSA-N 437.543 2.195 10 10 IECE COc1ccc(N2CCN(CC(=O)N3CCN(C(=O)c4cccs4)CC3)CC2)cc1F 753856294 DMGCWSUNLBWUAX-UHFFFAOYSA-N 446.548 2.002 10 10 IECE CC(C)(C)OC(=O)[C@H]1CCCCN1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 759287264 CWAARHREOVVVOD-HXUWFJFHSA-N 435.540 2.475 10 10 IECE Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C 1134883197 ZCMIVDZUOFCSKB-OAQYLSRUSA-N 432.590 2.344 10 10 IECE CN(C)CCNS(=O)(=O)c1cccc(NC(=O)c2cc3cc(O)c(O)cc3s2)c1 1153960467 ZUALRGGEJGJXJY-UHFFFAOYSA-N 435.527 2.405 10 10 IECE COCCN(C)CCN1C[C@H](NC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)CC1=O 1160604101 BCAGOCSZHVLNAZ-HXUWFJFHSA-N 426.561 2.311 10 10 IECE O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)C1CCN(C(=O)c2cccnc2)CC1 1161174782 AXSZRAMSBGVDQT-UHFFFAOYSA-N 444.482 2.365 10 10 IECE COC(=O)[C@]1(C)C[C@H](OC)CN1CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1196830541 JNSKBZJADQQDKJ-OWJWWREXSA-N 436.464 2.053 10 10 IECE CC(=O)N[C@H](CC(C)C)C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 1357221801 UIPFGCBTPHMLAO-HXUWFJFHSA-N 442.539 2.109 10 10 IECE C[C@@H]1Cc2cc(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N(C)C)ccc2N1S(C)(=O)=O 1463285613 VCHYVOWXXMUGBW-OPAMFIHVSA-N 444.601 2.496 10 10 IECE COc1ccc(N2CCN(CCCNC(=O)[C@H]3Cc4cc(F)ccc4NC3=O)CC2)cc1 1540534288 UVHOCNZJNYLQIX-OAQYLSRUSA-N 440.519 2.274 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CCN(CCC(C)(C)C)CC3)CC2)cc1 1543421559 NDYGDJRDWSXCRJ-KTKRTIGZSA-N 442.604 2.480 10 10 IECE CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1CCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1 1556515948 SVDXQNKUGDKTHL-PEKVBPLLSA-N 442.512 2.297 10 10 IECE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCn1sc2ccccc2c1=O 1567306000 BHTYUXGWWFBPDV-HNNXBMFYSA-N 430.482 2.155 10 10 IECE C[C@@H](C(=O)NCc1c(O)ccc2c1CCCC2)N1CCN(C(=O)OC(C)(C)C)CC1=O 1595611210 BVRDKKPJVRPDOM-HNNXBMFYSA-N 431.533 2.355 10 10 IECE COC[C@H](F)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(N2CCCC2)cc1 1619619158 GPCDWEANKCUMKW-IEBWSBKVSA-N 430.528 2.450 10 10 IECE Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)cc1 1630015387 WSICZJYBNJDVQS-OAQYLSRUSA-N 433.512 2.494 10 10 IECE Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(N)=O)C2)C1 1636692364 ZMEMHNKFVZYPSE-CHWWFWEZSA-N 435.571 2.097 10 10 IECE O=C(CN(CCCO)c1ccc(F)c(F)c1)NCc1ccc(N2CCOCC2)c(F)c1 1643333126 YMGCXAPSRHCOGO-UHFFFAOYSA-N 437.462 2.446 10 10 IECE Cn1ccnc1C1(O)CN(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)C1 1644357559 AXDPDXFAJUZLEX-GXDHUFHOSA-N 448.595 2.193 10 10 IECE COc1ccc(N2CCN(C[C@@H](O)CN3CCN(C)C[C@@H]3Cc3ccccc3)CC2)cc1 1654950228 FXSUKMAOCIEXAA-LOSJGSFVSA-N 438.616 2.037 10 10 IECE COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 1682986888 QWXNIHODMOUCLM-IBGZPJMESA-N 429.439 2.285 10 10 IECE CN(C)c1ccc(Cn2c(-c3cnccn3)nnc2N2CCC[C@H](CC(N)=O)C2)cc1F 1711005052 JBEOBGYUHGJFRV-OAHLLOKOSA-N 438.511 2.080 10 10 IECE Cc1noc(C)c1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1O 1726433187 WIAQRBRUCZYVQZ-MRXNPFEDSA-N 431.518 2.175 10 10 IECE CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861919601 BIAXUODYDZVLRP-FQEVSTJZSA-N 426.473 2.461 10 10 IECE CC[C@H](Oc1cccc(C=C2SC(=S)N([C@H](CC(=O)O)C(=O)O)C2=O)c1)C(=O)O 2314927900 NAASIPUUQSRRDV-NEPJUHHUSA-N 439.467 2.058 10 10 IECE O=C(O)CCNC(=O)CCCCCN1C(=O)/C(=C/c2ccc(O)cc2O)SC1=S 15044754 VOEGVEUWYITMLJ-GDNBJRDFSA-N 438.527 2.450 10 10 IECE CCN1CCN(c2ccc(CNC(=O)NCCNC(=O)c3ccccc3)cc2F)CC1 303313545 PPCZFQRAJHXFKW-UHFFFAOYSA-N 427.524 2.197 10 10 IECE COc1ccc(N2CCN(C(=O)CN(C)[C@@H]3CCN(c4ccccc4F)C3=O)CC2)cc1 732814724 UAZCYWVWTKCNKZ-JOCHJYFZSA-N 440.519 2.220 10 10 IECE COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1ccc(N2CCC(CO)CC2)cc1 751238760 CKCMUNZVMOVPRG-UHFFFAOYSA-N 435.502 2.291 10 10 IECE CCOC(=O)c1cnn2c(O)cc(COC(=O)c3ccnc(N4CC[C@@H](C)C4)c3)nc12 752598158 AAPZIEQRWKVRAI-CYBMUJFWSA-N 425.445 2.210 10 10 IECE COC(=O)c1coc(C(=O)OCC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1 759735890 AVTLCIKQBVFXFF-ZIAGYGMSSA-N 448.447 2.292 10 10 IECE Cc1nccc(N2CCN(C(=O)NCc3ccc(N4CCN(CC5CC5)CC4)cc3)CC2)n1 760126817 MLUNHVKITJBVGK-UHFFFAOYSA-N 449.603 2.349 10 10 IECE O=C(CN1CCC[C@H](c2nncn2C2CC2)C1)NCc1ccc(N2CCOCC2)c(F)c1 774696368 DEVMWOUGKHKZLK-SFHVURJKSA-N 442.539 2.085 10 10 IECE COCCn1c(N)c(N(Cc2ccccc2)C(=O)/C=C/c2cccnc2C)c(O)nc1=O 1124130560 VIJRBWLPJWUDHP-ZHACJKMWSA-N 435.484 2.128 10 10 IECE CCCCS(=O)(=O)N1CCC[C@H]1C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 1129548648 BIWZKGMDYJPHQI-SFHVURJKSA-N 445.532 2.012 10 10 IECE CC(=O)N1CCN(c2ccc(CNC(=O)[C@H]3CCN(C(=O)c4ccccc4)C3)cc2)CC1 1154276238 PBASILFUVQRYNG-QFIPXVFZSA-N 434.540 2.134 10 10 IECE CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O 1297562307 GMPSCEMMOOZLMU-OAHLLOKOSA-N 440.537 2.257 10 10 IECE COC[C@@H]1CC[C@H]([C@H]2COCCN2C(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)O1 1312903100 UYLRTBOOBNZSFK-XYEHWOGUSA-N 433.549 2.126 10 10 IECE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N1CC[C@H](Oc2cccc(F)c2)C1 1312984651 UFVMYVQZOCWHCB-NRFANRHFSA-N 447.532 2.423 10 10 IECE CCOc1ccc(N2CCN(C(=O)CCCC[C@@H]3SC[C@H]4NC(=O)N[C@H]43)CC2)cc1 1319858176 GQUVRQLWHPMGQQ-SVFBPWRDSA-N 432.590 2.460 10 10 IECE COc1ccc(N2CC[C@@H](NC(=O)c3cn(CCCNC(=O)OC(C)(C)C)nn3)C2)cc1 1461497562 UEQPWIKSCALVMH-MRXNPFEDSA-N 444.536 2.210 10 10 IECE C[C@H](NC(=O)N[C@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1)c1ccc(N(C)C)cc1 1469852918 BUKLTCUPSIKALX-RDJZCZTQSA-N 445.564 2.333 10 10 IECE COc1ccc(N2CCN(C(=O)NCC3CCC(S(C)(=O)=O)CC3)CC2)c(OC)c1 1471353310 WAQXZSQMLMKCGL-UHFFFAOYSA-N 439.578 2.139 10 10 IECE O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccnc(N2CCOCC2)n1 1537458856 PFSZWPPZMPVNPO-UHFFFAOYSA-N 433.459 2.313 10 10 IECE O=C1CC(=O)N(c2ccc(F)cc2)N=C1C(=O)NCc1ccc(N2CCSCC2)cc1 1543096134 DXBCPTRZFXSWRI-UHFFFAOYSA-N 440.500 2.357 10 10 IECE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NCc2cccc(O)c2O)cc1 1558159282 CVUUSPLZJUEYNJ-GOSISDBHSA-N 432.498 2.160 10 10 IECE COc1ccc(N2CC[C@@H](NC(=O)CN(C)S(=O)(=O)c3ccc(C)c(C)c3)C2)cc1 1587112088 ARJBGDSVZIGFRU-GOSISDBHSA-N 431.558 2.328 10 10 IECE Cc1nnc(N(C)Cc2ccc(N3CCOCC3)cc2)n1C[C@H]1CCCCS1(=O)=O 1612537091 YDXYPSHJGNADKG-HXUWFJFHSA-N 433.578 2.027 10 10 IECE CN(Cc1ccc(N2CCOCC2)cc1)c1nnc(-c2cnccn2)n1CCCCCO 1617893136 IARHYNCIAZSENM-UHFFFAOYSA-N 437.548 2.371 10 10 IECE Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CCC(N(C)S(C)(=O)=O)CC2)cc1 1631350090 LQQBEXOYNRALLT-UHFFFAOYSA-N 431.558 2.332 10 10 IECE Cc1cc(CC(=O)N2CCCC[C@H]2CNS(N)(=O)=O)c(C)n1-c1ccc(Cl)cc1 1635445094 QTPPRCGUWHTCBT-IBGZPJMESA-N 438.981 2.464 10 10 IECE Cn1cc([C@@H](CO)NC(=O)CCN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)cn1 1637654249 NHAOWMASERPTFM-FUXXUDPSSA-N 434.518 2.000 10 10 IECE C[C@@H]1CN(c2ccc(CNC(=O)CN3CCC4(CCNC(=O)O4)CC3)cc2F)C[C@@H](C)O1 1648490688 YHPGVNJBPRUCBM-IAGOWNOFSA-N 448.539 2.020 10 10 IECE CN(CC(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)C1CCC1 1657420539 YNFXHORODAUNDC-YVLHZVERSA-N 433.555 2.217 10 10 IECE CC(C)(C)OC(=O)N[C@H]1C[C@@H](NC(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)C1 1676125390 GQWBHBWKIMFHHW-HDICACEKSA-N 445.564 2.243 10 10 IECE CCOCc1nnc(N2CC[C@@H](N3CCCC3=O)C2)n1Cc1ccc(N(C)C)c(F)c1 1729028604 VRJHXTCISKLSQH-QGZVFWFLSA-N 430.528 2.269 10 10 IECE Cc1cc(N(C)C)ccc1Cn1c([C@H]2CCC(=O)N2)nnc1N(CCCCO)C1CC1 1761697356 CZYUTUJXAUKYHR-HXUWFJFHSA-N 426.565 2.393 10 10 IECE CCN(CCO)c1ccc(NC=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1 2296931434 MLLPXZJKJMRAEO-UHFFFAOYSA-N 428.489 2.388 10 10 IECE CN(C)c1ccc(C=CCN2CCc3nnc(CCNC(=O)c4ccco4)n3CC2)cc1 2297523784 HIXSFNWXPDMNRW-UHFFFAOYSA-N 434.544 2.481 10 10 IECE COc1ccc(N2CCN(C(=O)Cn3ncc4c5ccccc5n(C)c4c3=O)CC2)cc1 8932964 AVRUHCVPPVYARX-UHFFFAOYSA-N 431.496 2.246 10 10 IECE COc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCC(=O)O)c(Cl)c3)C2=O)cc1 59250096 OQFVXQJLLKDJBS-ZSOIEALJSA-N 430.800 2.478 10 10 IECE C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CC1=O 750639339 SMBGKBJNENSBHI-SIIHOXLZSA-N 440.466 2.351 10 10 IECE O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N1CCN2C(=O)OCC[C@@H]2C1 763478110 PDGIWBUUETUNCU-MRXNPFEDSA-N 442.438 2.278 10 10 IECE C[C@@H](OCC(=O)OCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1nccn1C 805686016 MTPICJOUMWTIGO-CQSZACIVSA-N 447.447 2.455 10 10 IECE COc1ccc(N2CCN(C(=O)COC(=O)c3ccc4c(c3)NC(=O)C4(C)C)CC2)cc1 815408531 LUQFSXDKHKTCNA-UHFFFAOYSA-N 437.496 2.431 10 10 IECE Nc1c(C(=O)OCc2nnnn2-c2ccccc2)ccc2c1C(=O)c1ccccc1C2=O 841476433 DFMZEZXVKQUJNH-UHFFFAOYSA-N 425.404 2.377 10 10 IECE CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)/C=C/c1ccc(NS(C)(=O)=O)cc1 875251658 LIRPLLRQNWAZNA-NTEUORMPSA-N 445.541 2.339 10 10 IECE CCC[C@H](O)[C@@H](CO)NC(=O)CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S 1141983676 CSPCFZAVRKOGFN-FJOYCWEKSA-N 426.535 2.055 10 10 IECE NC(=O)CC[C@@H](NC(=O)CCC1CCCC1)C(=O)NCc1ccc2cccnc2c1O 1142728670 ZMILOEANKUQUAK-GOSISDBHSA-N 426.517 2.277 10 10 IECE COCCNS(=O)(=O)c1ccc(CNC(=O)c2cc3cc(O)c(O)cc3s2)cc1 1291599580 XUQQLEZZIHFOOU-UHFFFAOYSA-N 436.511 2.167 10 10 IECE CCOCc1nnc(N2CC[C@@H](S(C)(=O)=O)C2)n1Cc1ccc(N(CC)CC)cc1 1297182100 NPQPYCMLWNMVGQ-LJQANCHMSA-N 435.594 2.332 10 10 IECE C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCSc2nccs2)CCO1 1305193016 QKGKXNLUGNDOFN-KBPBESRZSA-N 443.620 2.044 10 10 IECE Cc1cc(C(=O)N2CCC[C@H](S(N)(=O)=O)C2)c(C)n1-c1ccc(Br)cn1 1446243750 LEKDXFYZHASLAF-AWEZNQCLSA-N 441.351 2.145 10 10 IECE O=C1NCCN(C(=O)c2cc(O)cs2)[C@H]1c1ccc(I)cc1 1456653696 FLSYDNBMXAYJJB-ZDUSSCGKSA-N 428.251 2.372 10 10 IECE CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(N(C)C)c(F)c2)C[C@@H]1C 1502324079 GQEOVFZGENAPLK-INIZCTEOSA-N 426.544 2.462 10 10 IECE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CCC(F)F)n1Cc1ccc(N(C)C)c(F)c1 1510168463 NBGMZUNRBUHHTM-GFCCVEGCSA-N 448.515 2.233 10 10 IECE CO[C@@]1(CO)CCCN(C(=O)CCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)C1 1557410240 DZKLRTBASRBNSV-VZEGMYIASA-N 438.546 2.417 10 10 IECE CN(C)c1ccc([C@H](CNC(=O)N2CCOC[C@H]2C[C@H](O)c2ccco2)N(C)C)cc1 1565452963 OVMBDMUDOMDCAP-HKBOAZHASA-N 430.549 2.482 10 10 IECE O=C(/C=C/C(=O)Nc1ccc2n[nH]cc2c1)NCc1cc(F)c(N2CCOCC2)c(F)c1 1629488651 UFMZMHADSDHTRT-ONEGZZNKSA-N 441.438 2.489 10 10 IECE CCOC(=O)c1cc2n(n1)C[C@@H](C)N(C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C2 1638918714 YZJHBSRGGCKBQC-IERDGZPVSA-N 442.564 2.342 10 10 IECE NS(=O)(=O)c1ccc(CCCNC(=O)NCc2cccc(Br)c2O)cc1 1638975583 YHPAMOWQBGKVOM-UHFFFAOYSA-N 442.335 2.234 10 10 IECE C[C@@H](NC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2)c1ccccc1O 1642824012 BKFIDQDIQPMLBV-OAHLLOKOSA-N 434.514 2.489 10 10 IECE CNS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c1 1647081288 LOAZMDHOSAJOHQ-LJQANCHMSA-N 438.981 2.347 10 10 IECE O=C(N[C@H](CO)Cc1cncs1)c1cc(NS(=O)(=O)c2cccs2)ccc1O 1648075040 HWOTWJCHTFFFRE-LBPRGKRZSA-N 439.540 2.044 10 10 IECE CCN(CC)c1ccc(Cn2c(-c3cnn(C)c3)nnc2N(C)CCS(C)(=O)=O)cc1 1695619703 LBGIPGBZXSTZKY-UHFFFAOYSA-N 445.593 2.054 10 10 IECE CN(CCC(F)F)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCOCC2)cc1 1696777603 ATHFYBRZVJHBET-QGZVFWFLSA-N 434.491 2.206 10 10 IECE Cc1cc(N(C)C)ccc1Cn1c(CN2CCCC2=O)nnc1N1CC[C@](F)(C#N)C1 1707305690 IGMDSNLNGUVKJX-QFIPXVFZSA-N 425.512 2.265 10 10 IECE COCCO[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(N(C)C)c(F)c2)C1 1730903568 NTGAMNUADGNKQD-MSOLQXFVSA-N 433.528 2.277 10 10 IECE CCN(CC)c1ccc(Cn2c(C)nnc2N2CCC(N(C)S(C)(=O)=O)CC2)cc1 1746086830 RLZJHQWZYUTFSZ-UHFFFAOYSA-N 434.610 2.341 10 10 IECE CCNS(=O)(=O)[C@H]1CCN(c2nnc(C(C)C)n2Cc2ccc(N(C)C)cc2C)C1 1746533235 CRZZQOAUSKYGBZ-IBGZPJMESA-N 434.610 2.342 10 10 IECE CCc1nnc(N2CCN(c3ccc(OC)c(F)c3)CC2)n1CCCNC(=O)C(C)C 1763100121 KNBUHWGNIVKGCD-UHFFFAOYSA-N 432.544 2.477 10 10 IECE CCOCCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(N(C)C)c(F)c2)CC1 1766617120 ICKVJOJWOZPZHB-LJQANCHMSA-N 446.571 2.194 10 10 IECE O=C1C(=CNCCN2CCOCC2)C(C(F)(F)F)=NN1c1nc2ccccc2s1 2293024282 VPYXGWPEJSDSCV-UHFFFAOYSA-N 425.436 2.367 10 10 IECE CC(C)(C)N1C(=O)[C@@H]2[C@@H](c3cc(Br)ccc3O)N[C@](C)(C(=O)O)[C@@H]2C1=O 248262509 WOEHAHNCNBTWNE-JWXAPSBJSA-N 425.279 2.042 10 10 IECE NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C3CCN(C(=O)c4ccoc4)CC3)cc2)C1 917833593 BVJGYWSRBKKXMM-IBGZPJMESA-N 438.528 2.150 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N[C@H](C(C)C)C3(CO)CCC3)CC2)cc1 1141443977 AAZMGJZYARTRHB-DJYGDJEFSA-N 429.561 2.203 10 10 IECE CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1C 1299700684 SZVZMCAEWUWQNP-UHFFFAOYSA-N 434.514 2.156 10 10 IECE COc1ccc(N2CCCN(c3nnc(C(=O)NC(C)C)n3C[C@@H](C)OC)CC2)cc1 1315515660 PYFRMXQLUSOMBX-QGZVFWFLSA-N 430.553 2.177 10 10 IECE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCc1ccc(CN2CCNC2=O)cc1 1479127221 SKQDTDISFKKHLV-UHFFFAOYSA-N 437.544 2.390 10 10 IECE CC1=CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(N(C)C)c(F)c2)CC1 1492614328 CDIIYDXNPADZEZ-OAHLLOKOSA-N 436.557 2.298 10 10 IECE CN(C)c1ccc(CNC(=O)[C@@H]2CCCN(CCNC(=O)OC(C)(C)C)C2=O)cc1F 1542430465 WRCWXHQQXHACOD-INIZCTEOSA-N 436.528 2.271 10 10 IECE COCCN1CCN(c2nnc(C)n2Cc2ccc(N3CCC(C)CC3)cc2)CC1=O 1555580438 IPQHLHQEOJWVTJ-UHFFFAOYSA-N 426.565 2.166 10 10 IECE Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CCOC3(CCS(=O)(=O)CC3)C2)c1 1607601486 YXTKXIOAKWDFIL-UHFFFAOYSA-N 430.526 2.326 10 10 IECE COc1ccc(S(=O)(=O)CCC(=O)NCc2ccc(N3CCC(O)CC3)cc2)cc1 1633790162 ZZXZEMKMSKHCRM-UHFFFAOYSA-N 432.542 2.137 10 10 IECE COc1ccc(N2CC[C@@H](NC(=O)N3C[C@H]4COC[C@@]4(C(=O)OC(C)(C)C)C3)C2)cc1 1636853841 LHUUODGWLYSKLX-MFEFFIJZSA-N 431.533 2.274 10 10 IECE Cc1cc(C(=O)N[C@H]2CCc3nnnn3CC2)c(C)n1-c1ccc(Br)cn1 1638281571 OAUVUSYTVFHIPS-AWEZNQCLSA-N 430.310 2.373 10 10 IECE CC(=O)N1CCN(c2ccc(CNC(=O)CCn3sc4ccccc4c3=O)cc2)CC1 1638587019 HSSCQAJLCRTYEQ-UHFFFAOYSA-N 438.553 2.438 10 10 IECE CCn1cnc2c1CCN(CC(=O)NCc1ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c1)C2 1660314138 CMZGAEKZNUGGFW-IRXDYDNUSA-N 429.540 2.330 10 10 IECE CS(=O)(=O)CC1CCC(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)CC1 1673050394 DHNMFLNMJRIWGK-UHFFFAOYSA-N 437.606 2.298 10 10 IECE COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@@H](C(=O)N[C@@H]4CCC[C@@H](O)C4)C3)C2)cc1 1687025034 KXYVYRQPVMVKLL-WERVVEIQSA-N 444.576 2.115 10 10 IECE CN(Cc1ccccc1O)c1nnc(C(=O)Nc2ccccn2)n1CCCC(=O)NC1CC1 1729418695 IQYRJEYHBWZMPJ-UHFFFAOYSA-N 449.515 2.326 10 10 IECE Cc1ccc(C)n1-c1ccc(C2=C(NC3CCN(C)CC3)C(=O)N(CCN(C)C)C2=O)cc1 1873170585 GPKYSYIVNLXYCZ-UHFFFAOYSA-N 449.599 2.419 10 10 IECE CCC(=O)N(CCOC)CC(=O)N1N=C(c2cccn2C)C[C@@H]1c1ccc2c(c1)OCO2 50331530 FYCSZFKYPFVUBL-LJQANCHMSA-N 440.500 2.317 10 10 IECE COCCN1CCC[C@H]1CNC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 732448637 QYXJHRFWZPTOKN-SFHVURJKSA-N 444.498 2.452 10 10 IECE COCCOC[C@@H]1CCN(C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)C1 769055654 PHOOQNVLEZXMHS-JOCHJYFZSA-N 430.593 2.413 10 10 IECE CCc1nc(C)c(NC(=O)C(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)s1 778507869 HNVJMKLXUBOXKX-UHFFFAOYSA-N 445.589 2.290 10 10 IECE Cn1c(=O)ccc2ccc(NC(=O)C(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)cc21 787454797 KAPSLJBRNRHRRH-IBGZPJMESA-N 435.480 2.390 10 10 IECE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3ccc(C)c(F)c3)CC2)cc1 1278549457 WPOUITCSLYSMGH-UHFFFAOYSA-N 435.521 2.025 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C\C(=O)Nc3ccc(-n4nncc4C)cc3)CC2)cc1 1299880390 SUAFIBRGOXEFHC-QXMHVHEDSA-N 446.511 2.428 10 10 IECE Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)Nc1cccc(N2CCC(C(N)=O)CC2)c1 1360598018 VDIGVIRNIBTPFK-UHFFFAOYSA-N 444.557 2.199 10 10 IECE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 1446565089 INGAZYOHXDVQOL-RBUKOAKNSA-N 433.549 2.451 10 10 IECE COc1ccc(N2CC[C@@H](CNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)C2)cc1 1452035849 VVSXDEFUCFEGOY-QTWZMDIBSA-N 432.590 2.364 10 10 IECE CNC(=O)c1cncc(/C=C/C(=O)N2CCCn3ncc(NC(=O)OC(C)(C)C)c32)c1 1462913230 MLFIHCUVJDBVOA-VOTSOKGWSA-N 426.477 2.435 10 10 IECE CCCCC[C@@H](NC(=O)/C=C\C(=O)N1CCN(c2ccc(OC)cc2)CC1)C(=O)OC 1545340518 VBLJCCOFYWXGGB-GHYICZDASA-N 431.533 2.138 10 10 IECE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCCOc1ccc2c(c1)OCO2 1556102258 XXRVELIMFHRISL-INIZCTEOSA-N 431.441 2.276 10 10 IECE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)c3cc4c[nH]nc4cc3C)cc2)CC1 1561468919 RRZCQWOFWKOZIY-UHFFFAOYSA-N 427.530 2.018 10 10 IECE C[C@H]1CCCN(c2ccc(CNC(=O)c3nc(N)nc(N4CCOCC4)n3)cc2Cl)C1 1568141627 ALNBEJQJSODCQD-AWEZNQCLSA-N 445.955 2.110 10 10 IECE COc1ccc(N2CCN(C(=O)CC3(NC(=O)OC(C)(C)C)COC3)CC2)c(OC)c1 1648344432 SQPCKMGQUNOPGE-UHFFFAOYSA-N 435.521 2.036 10 10 IECE CCOCc1nnc(N2CCO[C@@H](Cn3cccn3)C2)n1Cc1ccc(N(C)C)c(F)c1 1729089627 LMQVBYQMUXIIJT-GOSISDBHSA-N 443.527 2.170 10 10 IECE COC1(C)CN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(N3CCSCC3)cc2)C1 1748479941 MGVJAHNBSSVGKI-UHFFFAOYSA-N 444.605 2.243 10 10 IECE CC(C)(C)Cc1nnc(N2CCNC(=O)C2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1760761033 MDRYELNNTFUBPV-UHFFFAOYSA-N 440.592 2.060 10 10 IECE CC(C)CN1CCO[C@H](Cn2c([C@@H]3CCOC3)nnc2N(C)Cc2ccccc2O)C1 1761132354 YVPQWFMSEFPCKG-UXHICEINSA-N 429.565 2.481 10 10 IECE Cc1ccc(CN(C)C(=O)CNC(=O)CNC(=O)OC(C)(C)C)c(O)c1Br 2380760012 TUTGQMCHMOFXCB-UHFFFAOYSA-N 444.326 2.062 10 10 IECE CN(C(=O)CCN1C(=O)/C(=C\c2ccccc2F)SC1=S)[C@@H]1CCS(=O)(=O)C1 33543276 HWCWPIHXOTVAST-QQFZQELXSA-N 442.559 2.063 10 10 IECE O=C(NCCCCN1CCOCC1)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 768695822 PTBRBNGKCRRAHK-UHFFFAOYSA-N 429.609 2.130 10 10 IECE COc1cc(OC)c(S(=O)(=O)NCc2ccc(N3CCOCC3)c(F)c2)c(OC)c1 777897564 OUAVDHBIEKBXEH-UHFFFAOYSA-N 440.493 2.167 10 10 IECE COc1ccc(N2CCN(CCNC(=O)c3c(C)nn(C)c3Br)CC2)cc1 801089081 CATKFTFHPNVLKU-UHFFFAOYSA-N 436.354 2.052 10 10 IECE CC[C@@H](N=c1nn[nH]n1-c1ccccc1)C(=O)NCc1cc(Br)ccc1O 804734047 ARISBDIEXKDWAA-OAHLLOKOSA-N 431.294 2.059 10 10 IECE CC(C)(C)OC(=O)N1CC[C@@H](N2CCN(c3cc4c(cc3[N+](=O)[O-])OCC(=O)N4)CC2)C1 808121205 CINHGKKRHSPORO-CQSZACIVSA-N 447.492 2.057 10 10 IECE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)C[C@@H]3CCCC3(F)F)CC2)cc1 1278548500 DWMITIPZLVOPMO-INIZCTEOSA-N 445.532 2.089 10 10 IECE O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)c1ccc(S(=O)(=O)C2CCC2)cc1 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CC[C@@H](C)c1nnc(N2CCN(c3ccc(OC)c(F)c3)CC2)n1C[C@]1(O)CCOC1 1513019361 QAXSGLAACDUXIW-OPAMFIHVSA-N 433.528 2.417 10 10 IECE COc1ccc(N2CCN(C(=O)c3nccn4c(Br)cnc34)CC2)c(OC)c1 1530968527 QUPSTHSLNGIQBF-UHFFFAOYSA-N 446.305 2.471 10 10 IECE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)NCCCSc1nccs1 1542955976 GUKBVZGYGPODCT-AWEZNQCLSA-N 430.596 2.407 10 10 IECE CC(=O)Nc1ccc(N2C[C@@H](C(=O)NCc3ccc(N4CCN(C)CC4)cc3)CC2=O)cc1 1583475996 QBAFHTXECIGQGC-FQEVSTJZSA-N 449.555 2.066 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CCCC[C@]34CCCOC4)CC2)cc1 1607929426 OFSAJYBMIAOHHA-HBRDYDSTSA-N 427.545 2.462 10 10 IECE COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 1630618934 NSDSUMGZMBOGAE-QAPCUYQASA-N 435.521 2.094 10 10 IECE COc1cc(N2CCN(C(=O)NC[C@H]3CC(=O)N(C(C)(C)C)C3)CC2)cc(OC)c1OC 1637113951 IHTILMXNTCBKNO-MRXNPFEDSA-N 448.564 2.191 10 10 IECE COCCO[C@@H](C)c1nnc(N2CCOC[C@H]2C)n1Cc1ccc(N2CCOCC2)cc1 1698179234 WFRLLCDYEMEYML-MOPGFXCFSA-N 445.564 2.112 10 10 IECE CCc1nnc(N(C)Cc2ccc(N3CCOCC3)cc2)n1C[C@H]1CCCCS1(=O)=O 1709035914 KSFQPCYNFWXUIR-HXUWFJFHSA-N 447.605 2.281 10 10 IECE CN(C)C(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc(N2CCCC2)cc1 1747534927 KXEFZXORYXAGIU-UHFFFAOYSA-N 436.564 2.394 10 10 IECE CC(C)Cc1nnc(N2CCN3C(=O)N(C)C[C@H]3C2)n1Cc1ccc(N(C)C)c(F)c1 1761041151 HDXVIAHMLKELHP-KRWDZBQOSA-N 429.544 2.286 10 10 IECE C[C@H](C(=O)NCC(=O)O)N1C(=O)C(=Cc2cccc(Br)c2)SC1=S 2314836680 IMDWZHNMTRNEIF-MRVPVSSYSA-N 429.317 2.240 10 10 IECE COc1ccc2c(c1)c(C=C1SC(=S)N([C@@H](CCC(N)=O)C(=O)O)C1=O)cn2C 2323813727 WYWVZFPLAYFHGK-AWEZNQCLSA-N 433.511 2.107 10 10 IECE CN(C[C@H]1CCCO1)C(=O)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O 728211680 BAWJCVRFHYIXOP-OAHLLOKOSA-N 435.458 2.352 10 10 IECE CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CCCC[C@@H]2CS(N)(=O)=O)C1 768075180 ARBSKTABNKDHNH-QGZVFWFLSA-N 432.590 2.077 10 10 IECE CCOC(=O)[C@@H]1CC[C@H](NC(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)C1 798105324 ZRPYIAKELHZOFP-MOPGFXCFSA-N 432.565 2.238 10 10 IECE 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CC(C)CC(=O)N1CCCC[C@@H]1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 1526260095 RWHFQPQGALKILZ-TZIWHRDSSA-N 428.577 2.432 10 10 IECE COc1ccc(N2CC[C@@H](CNC(=O)Cn3c(=O)oc4cc([N+](=O)[O-])ccc43)C2)cc1 1529404073 OLUBKCWATWCUGG-AWEZNQCLSA-N 426.429 2.154 10 10 IECE CCN1CCN(c2cc(N(C)C(=O)/C=C/c3cnc(OC)nc3)cc([N+](=O)[O-])c2)CC1 1534802583 AWXZYFKCARNBTR-AATRIKPKSA-N 426.477 2.212 10 10 IECE O=C(C[C@H]1CCc2sccc2C1=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1557422824 QPXLLCSWNJAGOE-MRXNPFEDSA-N 432.567 2.435 10 10 IECE COc1ccc(N2CCN(C(=O)N[C@H]3CCCN(c4cc(C)nn4C)C3)CC2)c(OC)c1 1564671260 SWCBYOORJMPLLP-SFHVURJKSA-N 442.564 2.246 10 10 IECE O=C(CCSc1ncnc2[nH]cnc12)NCc1ccc(N2CCC(O)CC2)c(F)c1 1586864742 QNFYKSVUSWEHST-UHFFFAOYSA-N 430.509 2.252 10 10 IECE COC(=O)[C@@]1(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)C[C@H]1c1ccccc1 1616600826 VLIMRVMUGGSBIA-OFVILXPXSA-N 435.524 2.351 10 10 IECE NS(=O)(=O)c1sccc1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 1632040386 QXAKARRSYZWWOC-UHFFFAOYSA-N 431.486 2.396 10 10 IECE CC(C)N1CCC(N2CCN(C(=O)NCc3ccc(N4CCN(C)CC4)cc3)CC2)CC1 1638007312 LPGOYJAIHXEWCU-UHFFFAOYSA-N 442.652 2.138 10 10 IECE CC(C)C[C@H](NCC(F)(F)F)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1640145552 HHAGZGCDFXTREK-KRWDZBQOSA-N 435.512 2.104 10 10 IECE O=C(N[C@H]1CCN(C2CCC2)C1=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 1643026341 PPXZKFIFJSRSII-HNNXBMFYSA-N 435.527 2.138 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N[C@H](C)[C@@](C)(O)c3ccccc3)CC2)cc1 1644339729 UVDQMTUDAXQTIO-SBBRJQIVSA-N 437.540 2.312 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N[C@H](c3cnn(C)c3)C(C)C)CC2)cc1 1653136906 LPFIHXLMVBZGDY-ZUTVHTERSA-N 425.533 2.147 10 10 IECE COc1ccc(N2CC[C@@H](CNC(=O)N[C@H]3CCCN(CC(F)(F)F)C3=O)C2)cc1 1680556844 ZFENTKYWTKSKQB-YOEHRIQHSA-N 428.455 2.374 10 10 IECE Cc1nsc(N2CCCN(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N(C)C)CC2)n1 1684606055 ACADCGKDICQBEV-IBGZPJMESA-N 431.610 2.437 10 10 IECE CN(C)c1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCC(C(N)=O)CC2)cc1F 1696611400 UDVPHYMWCDKHHV-QGZVFWFLSA-N 430.528 2.127 10 10 IECE CN(Cc1ccccc1O)c1nnc(Cc2ccncc2)n1C[C@@H]1CCS(=O)(=O)C1 1729420022 CXHMWXDSSNEDCW-KRWDZBQOSA-N 427.530 2.041 10 10 IECE CC(C)Cc1nnc(N2CC[C@@H](C(N)=O)C2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1750723569 OGXSAIWKAXLNNS-HXUWFJFHSA-N 440.592 2.045 10 10 IECE COc1ccc(N2CCN(C(=O)c3ccc4nc(SCC(N)=O)[nH]c4c3)CC2)cc1 1872824882 KVUHRJORPZWFRH-UHFFFAOYSA-N 425.514 2.111 10 10 IECE CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)/C1=C/c1c(C)nn(-c2ccccc2)c1O 105765786 HXMVGFKXBMJJAN-XDHOZWIPSA-N 437.481 2.340 10 10 IECE CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@@H](CC(N)=O)C2CCOCC2)C1 435807789 JYZFESCETMNODT-FQEVSTJZSA-N 426.561 2.195 10 10 IECE O=C(NCc1ccc(N2CCN(CC3CC3)CC2)cc1)N1CC[C@@](O)(C(F)(F)F)C1 769056541 SSAYMGZBAZIZHP-FQEVSTJZSA-N 426.483 2.427 10 10 IECE CS(=O)(=O)N1CCN(c2ccc(NCc3cc(Cl)cc([N+](=O)[O-])c3O)cn2)CC1 772951012 CCUJLDXMPFJWOT-UHFFFAOYSA-N 441.897 2.043 10 10 IECE COc1cccc([C@@H]2[C@H](NC(=O)c3cc(NS(C)(=O)=O)ccc3O)CCN2C2CC2)c1 778494395 NHJVSXPDGNLHIH-TZIWHRDSSA-N 445.541 2.480 10 10 IECE COc1cc(CN2CCN([C@@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)c(O)cc1C 780764793 JDSHPGKFHROFHV-LJQANCHMSA-N 427.549 2.064 10 10 IECE CN(C)c1ccc([C@@H](CNC(=O)CNC(=O)c2ccc(Br)o2)N(C)C)cc1 1158718101 STRASLKVNLXRKX-OAHLLOKOSA-N 437.338 2.257 10 10 IECE CCc1nnc(N2CCN(c3ccc(OC)c(F)c3)CC2)n1CCN1CCOCC1(C)C 1293105132 JYAWBHKQTZWCCP-UHFFFAOYSA-N 446.571 2.426 10 10 IECE CCN(CC)c1ccc(Cn2c(C(=O)N3CCCC3)nnc2N(C)[C@@H](C)CC(N)=O)cc1 1313673168 CSGVLOYCIVQJOV-KRWDZBQOSA-N 441.580 2.109 10 10 IECE CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(N(C)C)c(F)c2)C[C@H]1C 1502324080 GQEOVFZGENAPLK-MRXNPFEDSA-N 426.544 2.462 10 10 IECE COc1ccc(N2CCN(CCNC(=O)C[C@H]3CCC4(CCOCC4)CO3)CC2)cc1 1544316107 WFRQOLKZQJPQAA-JOCHJYFZSA-N 431.577 2.299 10 10 IECE CCOCc1nnc(N2CCC[C@@H](CNC(C)=O)C2)n1Cc1ccc(N(C)C)c(F)c1 1548147765 GAFWXWGXTSPCGK-SFHVURJKSA-N 432.544 2.421 10 10 IECE COc1ccc(N2C[C@@H](NC(=O)NCc3ccc(N4CCN(C)CC4)cc3)CC2=O)cc1 1565048900 VPTWMWMUVNRIBH-IBGZPJMESA-N 437.544 2.052 10 10 IECE CN(C)c1ccc([C@H](CNC(=O)c2c(I)cnn2C)N(C)C)cc1 1616858483 NFBMZCHHBBWLPI-HNNXBMFYSA-N 441.317 2.123 10 10 IECE Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NCc2cc(Cl)ccc2O)CC1 1628666856 KGOAABKOWUIYLP-UHFFFAOYSA-N 427.910 2.368 10 10 IECE CCN(CC)CCN(C(=O)c1cc2cc(O)c(O)cc2s1)[C@@H]1CCS(=O)(=O)C1 1630846461 QNOBUTUMMBBZOF-CQSZACIVSA-N 426.560 2.284 10 10 IECE Cc1ccc2c(c1)nc(CNC(=O)NCc1ccc(N3CCS(=O)(=O)CC3)cc1)n2C 1635196688 SEBQWNWQHNLSLR-UHFFFAOYSA-N 441.557 2.116 10 10 IECE COCCCN(C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C)[C@@H]1CCS(=O)(=O)C1 1636263240 NKTCDPMNOMKCRC-FXAWDEMLSA-N 425.595 2.227 10 10 IECE CC[C@@H](CO)N(Cc1ccccc1)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1674271885 PYDSGCRIVOQKRB-NRFANRHFSA-N 445.585 2.404 10 10 IECE CNC(=O)[C@]1(C(F)(F)F)CCN(C(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)C1 1686854941 KWVLJHUNKWFZTR-KUHUBIRLSA-N 428.455 2.232 10 10 IECE CCNC(=O)CN1CCN(c2nnc([C@@H](C)CC)n2Cc2ccc(N(C)C)c(F)c2)CC1 1695928772 OKGMLEZJLKDOGS-KRWDZBQOSA-N 445.587 2.303 10 10 IECE CCOc1ccc(/C=C2/SC(=S)N([C@H](CCC(N)=O)C(=O)O)C2=O)cc1OCC 1858592761 WSIDMZULORAXLG-JXCQQFQQSA-N 438.527 2.404 10 10 IECE O=C(Oc1cc(O)c2c(c1)O[C@@H](c1ccc(O)c(O)c1)[C@H](O)C2)c1cc(O)c(O)c(O)c1 14642868 WKIHBIBUCQPPBY-NQIIRXRSSA-N 442.376 2.177 10 10 IECE endogenous,in-man CCOC(=O)c1nc(NCCN2CCN(c3ccc(OC)cc3)CC2)c2c(C)noc2n1 21646138 IZXSCJNGARHTKJ-UHFFFAOYSA-N 440.504 2.346 10 10 IECE COc1ccc(N2CCN(C(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)CC2)cc1 33471482 OLJYEAMDBAKGDF-UHFFFAOYSA-N 426.473 2.402 10 10 IECE COc1ccc(N2CCN(C(=O)Cc3noc(-c4ccc5nc(O)n(C)c5c4)n3)CC2)cc1 771067027 MNLXIICVAKMSPG-UHFFFAOYSA-N 448.483 2.229 10 10 IECE COc1ccc(N2CCN(CCNC(=O)C3(NC(=O)OC(C)(C)C)CCC3)CC2)cc1 1142565406 BFZPRDYBMNSLRG-UHFFFAOYSA-N 432.565 2.381 10 10 IECE CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)NCCc3cc(C)n(-c4ccccc4)c3C)C[C@@H]12 1253807980 LNKDITGCCSBHRM-HBMCJLEFSA-N 431.558 2.090 10 10 IECE COc1ccccc1C[C@](C)(CO)NC(=O)NCc1ccc(N2CCC(O)CC2)cc1 1313065511 SBRBOYDMJSTSHY-XMMPIXPASA-N 427.545 2.449 10 10 IECE COc1ccc(N(C)CCN(C)C(=O)C2=NN(c3ccc(F)cc3)C(=O)CC2=O)cc1 1469803984 BZHZSGRSFNAESY-UHFFFAOYSA-N 426.448 2.091 10 10 IECE C[C@@H]1C[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccccc2O)CCO1 1512027038 BDMRVJQCHZUOFD-NUJGCVRESA-N 434.562 2.337 10 10 IECE CN(C)c1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@@H](CC(N)=O)C2)cc1F 1517000364 UZYODTCTEBQWIS-HNNXBMFYSA-N 440.527 2.024 10 10 IECE CCS(=O)(=O)N1CCC(NC(=O)Cn2c3c(c4cc(OC)ccc42)CCCC3)CC1 1556050818 TXWPQTXYVYEKSJ-UHFFFAOYSA-N 433.574 2.459 10 10 IECE O=C(CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)N1CCc2c(O)ncnc2C1 1556191765 QCAQKTMNCDNCKX-CXUHLZMHSA-N 444.513 2.498 10 10 IECE COc1ccc(N2CCN(CCNc3ccc4nnc(Br)n4n3)CC2)cc1 1559085358 JOJVDAFQTNKLCO-UHFFFAOYSA-N 432.326 2.130 10 10 IECE CC(C)Cc1nnc(N2CCNC(=O)CC2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1606609050 QJJRSCMTOVFAPB-UHFFFAOYSA-N 440.592 2.060 10 10 IECE CCO[C@@]1(c2nnc(N(C)Cc3ccccc3O)n2CCCc2cnn(C)n2)CCOC1 1616155844 PMYBWIGDOZARPF-QFIPXVFZSA-N 441.536 2.034 10 10 IECE CN(Cc1ccc(N2CCCC2)cc1)c1nnc(CN2CCCC2=O)n1CC(C)(C)O 1617893351 MZEYEMOVRWEZKY-UHFFFAOYSA-N 426.565 2.408 10 10 IECE COC(=O)[C@@H]1CCCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(N(C)C)cc2C)C1 1618854913 OSGCEMIKRWOGOA-GOSISDBHSA-N 437.548 2.491 10 10 IECE Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NCc1cc(C)n(-c2ccccc2)c1C 1635331310 PPAOVJLNQCJISD-INIZCTEOSA-N 443.573 2.428 10 10 IECE Cc1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1Cc1ccc(N2CCOCC2)cc1 1726401252 NOQLJBQSEUXGDC-UHFFFAOYSA-N 441.580 2.102 10 10 IECE CCc1nnc(N2CCC(C(=O)OC)CC2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1727540764 RAENIOVYTKLHHL-UHFFFAOYSA-N 441.576 2.487 10 10 IECE COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)c1 728980143 WHZFASQUGISZTL-SWLSCSKDSA-N 437.518 2.284 10 10 IECE Cn1ccnc1CN1CCC[C@@H](NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)C1=O 783316351 AGSLHCWDPKAHIT-RTBURBONSA-N 441.532 2.008 10 10 IECE COCCN(C(=O)Cn1c2c(c3cc(OC)ccc31)CCCC2)[C@@H]1CCS(=O)(=O)C1 1124556678 BHBBIAROKVBPFP-MRXNPFEDSA-N 434.558 2.191 10 10 IECE CN(C)c1ccc([C@H](CNC(=O)c2ccc(F)c(S(=O)(=O)N(C)C)c2)N(C)C)cc1 1134882396 OTWTUOBHIKIZQZ-IBGZPJMESA-N 436.553 2.175 10 10 IECE COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CN1C(=O)c2ccc(C)cc2C1=O 1152401860 QHMOAELFMKKCSJ-UHFFFAOYSA-N 430.844 2.152 10 10 IECE COC(=O)[C@@]1(N2CCN(C(=O)c3cc(C)n(-c4ccc(OC)cc4)c3C)CC2)CCOC1 1167321524 QDKNZQAVBSZSOW-XMMPIXPASA-N 441.528 2.193 10 10 IECE CCCC[C@@](C)(F)C(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1278549032 LUIWGMNSCFDSIY-HXUWFJFHSA-N 429.558 2.182 10 10 IECE O=C(NCc1cc(O)ccc1O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 1303223212 FXGPYLMYFDYFCR-HNNXBMFYSA-N 440.905 2.139 10 10 IECE COc1ccc(N2CCCN(C(=O)[C@H]3CCCN(CC(=O)OC(C)(C)C)C3=O)CC2)cc1 1355030496 CGVOQTBXYFPHFF-HXUWFJFHSA-N 445.560 2.314 10 10 IECE COc1ccc(N2CCN(C(=O)CCc3c(C)nc4cc(O)nn4c3C)CC2)c(OC)c1 1457968487 PWHRZWPAFPIUTG-UHFFFAOYSA-N 439.516 2.350 10 10 IECE COc1ccc(N2CCN(CCCNC(=O)CN3Cc4ccccc4OC3=O)CC2)cc1 1523442577 IUNXBHIZDDVSBK-UHFFFAOYSA-N 438.528 2.338 10 10 IECE CCOCc1nnc(N(C)Cc2ccc(N3CCOCC3)cc2)n1CCc1ccn(C)n1 1548085174 NVORTJFZMABGGS-UHFFFAOYSA-N 439.564 2.264 10 10 IECE COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(S(=O)(=O)N3CCC(O)CC3)cc2)c1 1566374580 NGRVPEUHNYQDLT-CQSZACIVSA-N 434.514 2.037 10 10 IECE CC(C)Cc1nnc(N(C)Cc2ccc(N3CCOCC3)cc2)n1CCCS(C)(=O)=O 1603303041 MXNOZMKZNAODAS-UHFFFAOYSA-N 449.621 2.384 10 10 IECE Cc1nc(-c2cnn(C)c2)sc1C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1616590874 ZDXZEAFSSLELIT-UHFFFAOYSA-N 438.557 2.484 10 10 IECE C[C@](CO)(Cc1ccc(F)cc1)NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 1620624674 BXVJVUAVLSWIPT-HSZRJFAPSA-N 433.499 2.001 10 10 IECE CCC[C@H](O)[C@@H](CO)NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 1637666715 POZJJDBDLWDMGN-OPBFZPCWSA-N 428.601 2.368 10 10 IECE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N1CCC[C@H]1CN1CCCCC1 1683896518 HIDONQRKBVZLRP-NRFANRHFSA-N 434.606 2.081 10 10 IECE CCc1nsc(N2CCN(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N(C)C)CC2)n1 1687806374 FNOUVTLVJBOPDE-GOSISDBHSA-N 431.610 2.301 10 10 IECE C[C@@H]1CCCN(CCn2c(CN3CCCC3=O)nnc2N(C)Cc2ccccc2O)C1 1708087894 LLJCPIICVJVEMN-GOSISDBHSA-N 426.565 2.474 10 10 IECE CN(C)c1ccc(Cn2c([C@H]3CCCO3)nnc2N2CCC[C@@H](CC(N)=O)C2)cc1F 1711005796 LLLHMACXQXRMDT-HNAYVOBHSA-N 430.528 2.475 10 10 IECE CCn1cccc(C(=O)N[C@@](C)(CC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)c1=O 1862018522 AKXQYVWHIZCMLJ-DEOSSOPVSA-N 440.544 2.124 10 10 IECE O=C(CCCN1C(=O)C(=Cc2cccc(F)c2)SC1=S)N[C@H]1CCS(=O)(=O)C1 2296885817 HKRKHZHGCGYAFF-AWEZNQCLSA-N 442.559 2.110 10 10 IECE COc1cc([C@@H](O)CNCCCCCCNC[C@H](O)c2ccc(O)c(O)c2)ccc1O 201153754 JROQMFXAAYTLIH-VXKWHMMOSA-N 434.533 2.319 10 10 IECE CN(C)C(=O)N1CCC(C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)CC1 768913707 QHFVEUJLTMVGPY-UHFFFAOYSA-N 427.593 2.228 10 10 IECE CCN(CC)c1ccc(CNC(=O)C(=O)N2CCC(NC(=O)c3ccoc3C)CC2)cc1 788979476 WNBSJALRJQSYLI-UHFFFAOYSA-N 440.544 2.471 10 10 IECE CN(c1ccc(CNC(=O)C(=O)N2CCC[C@@H]2CN2CCOCC2)cc1)C1CCCCC1 803677043 DPGFPEKUHSFDNA-HSZRJFAPSA-N 442.604 2.395 10 10 IECE C[C@@H](C(=O)NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H](O)CN(C)C(=O)OC(C)(C)C 1147837108 DMRHIIZJDJXFAC-UTKZUKDTSA-N 449.592 2.375 10 10 IECE 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CCCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(C(=O)NC)cc2)cc1 740812848 FIARNNQRWZWHAA-UHFFFAOYSA-N 425.532 2.389 10 10 IECE NC(=O)COc1ccc(NC(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)cc1 768870535 BZFPZUXJVRVYOM-UHFFFAOYSA-N 437.544 2.404 10 10 IECE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC1 773016922 DQFVPFHBZYYCLG-CQSZACIVSA-N 433.578 2.371 10 10 IECE CCS(=O)(=O)c1ccc(CC(=O)NCc2ccc(N3CCN(C(C)=O)CC3)cc2)cc1 786255218 LVQKTGKXWGMGQZ-UHFFFAOYSA-N 443.569 2.008 10 10 IECE O=C(CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)N[C@H]1CC(=O)N(C2CC2)C1 1137246410 BYOSJIIBRHPQQZ-FSEGOYHTSA-N 433.530 2.297 10 10 IECE COc1ccc(N2CCN(C(=O)Cc3csc(S[C@H](C)C(N)=O)n3)CC2)cc1F 1150240767 RZVFMRQWTRMHJA-GFCCVEGCSA-N 438.550 2.148 10 10 IECE C[C@@H](C(=O)NC1CCCC1)N1CCN(Cc2ccc(N3CCN(C)CC3)c(F)c2)CC1 1341567503 HEYLSAMDDBQFSK-IBGZPJMESA-N 431.600 2.142 10 10 IECE Cc1oc(C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)cc1S(C)(=O)=O 1435573230 PJWKYWMUBWXOCN-UHFFFAOYSA-N 431.558 2.454 10 10 IECE C[C@H]1CN(c2ccc(CNC(=O)[C@H](NC(=O)C3CCCC3)[C@H](C)O)cc2F)C[C@@H](C)O1 1441791799 YIUQMCWOQOBIKV-KGWSRGFLSA-N 435.540 2.111 10 10 IECE COc1cc(N(C)CCN(C)CCN2C(=O)c3ccccc3C2=O)c([N+](=O)[O-])cc1OC 1458458292 UXWDPFNXROGEAQ-UHFFFAOYSA-N 442.472 2.276 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C\C(=O)NC3CCC(C)(N4CCC4)CC3)CC2)cc1 1472214130 HUHYMZLKPJFEQC-HJWRWDBZSA-N 440.588 2.423 10 10 IECE CCOC(=O)CCc1cc(NCc2ccc(N3CCS(=O)(=O)CC3)cc2)nc(C)n1 1472828281 QNJMTOWTPSNBQQ-UHFFFAOYSA-N 432.546 2.128 10 10 IECE C[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc3c(c2)CCCN3C)C1 1512286874 MGFMEZCTVLWILZ-HZPDHXFCSA-N 432.594 2.165 10 10 IECE O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)C1CCN(C(=O)N2CCCC2)CC1 1527864363 OUEUPPADSYAYOF-UHFFFAOYSA-N 436.503 2.345 10 10 IECE Cc1nn(C2CCOCC2)c(C)c1C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1537839643 PAMJLTNWXZJVQG-UHFFFAOYSA-N 439.560 2.483 10 10 IECE CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1cc(C)n(-c2cccc(Br)c2)c1C 1557431507 ASYQDEHLBMDIRO-IRXDYDNUSA-N 441.347 2.398 10 10 IECE 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CN(C(=O)CCCN1C(=O)C(=Cc2ccccc2)SC1=S)[C@@H]1CCS(=O)(=O)C1 2296576868 SINMJAHHRCAWRT-OAHLLOKOSA-N 438.596 2.314 10 10 IECE COc1ccc(N2CCN(c3nccnc3SCC(=O)NC[C@@H]3CCCO3)CC2)cc1 33292967 GJNBDDNZMQFJJH-IBGZPJMESA-N 443.573 2.199 10 10 IECE Cc1ccc(N2C(=O)NC(=O)/C(=C\Nc3ccc(C(=O)N4CCOCC4)cc3)C2=O)cc1 101346701 ZGLICNLZEGUOBU-XMHGGMMESA-N 434.452 2.046 10 10 IECE Cc1cc(C(=O)CN(C)C2CCN(S(C)(=O)=O)CC2)c(C)n1-c1ccc2c(c1)OCO2 759429493 FDGLSYCFHPODQF-UHFFFAOYSA-N 447.557 2.361 10 10 IECE COC(=O)c1coc(C(=O)OCC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1 759735888 AVTLCIKQBVFXFF-OKILXGFUSA-N 448.447 2.292 10 10 IECE C[C@H]1CN(c2ccc(CNC(=O)N3CCN(CC(F)(F)F)C(=O)C3)cc2F)C[C@H](C)O1 804968352 BLWAROWVKSYLJT-KBPBESRZSA-N 446.445 2.355 10 10 IECE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cnccn3)n2Cc2ccc(N(C)C)cc2C)C1 1301650719 PWTHGQMWYKVSMD-LJQANCHMSA-N 448.575 2.462 10 10 IECE C[C@@H](CC(N)=O)N(C)c1nnc([C@H]2CCCOC2)n1Cc1ccc2c(c1)CCCN2C 1303649934 DGAZMBKIPRXVGF-LPHOPBHVSA-N 426.565 2.303 10 10 IECE 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O=C(CN1CCC[C@H]1[C@@H](O)c1ccccc1)NCc1ccc(N2CCOCC2)c(F)c1 1175196343 XRUMOWRFNBXQSE-UPVQGACJSA-N 427.520 2.477 10 10 IECE O=C(CN1CCN(c2cccc(F)c2)CC1)NCc1ccc(N2CCOCC2)c(F)c1 1197042558 ZMSGQVDQABEFHR-UHFFFAOYSA-N 430.499 2.240 10 10 IECE C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC2CCC2)n1Cc1ccc(N(C)C)c(F)c1 1303815549 JJNBCEYLXVOPJQ-AWEZNQCLSA-N 438.573 2.378 10 10 IECE CCC[C@H](C)C(=O)NCCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccccc1O 1306547911 XVDDGYNZPGKUQW-KRWDZBQOSA-N 442.564 2.409 10 10 IECE CC[C@](C)(O)Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1512673238 YCYFMMIIWFQVDX-XXBNENTESA-N 429.565 2.416 10 10 IECE C[C@H](Sc1nc(CC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cs1)C(N)=O 1535559572 YYZSMXRGEITKRW-KGLIPLIRSA-N 434.587 2.366 10 10 IECE CC(C)O[C@]1(c2nnc(N(C)Cc3ccccc3O)n2C[C@@H]2COCCO2)CCOC1 1541717994 IAXRMBFZQUFFAA-XMSQKQJNSA-N 432.521 2.076 10 10 IECE CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCC(=O)N(C)OCC(F)(F)F)C1 1629828408 UGRYPXMZPQSYDK-UHFFFAOYSA-N 440.466 2.476 10 10 IECE C[C@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)[C@@H](O)CN(C)C(=O)OC(C)(C)C 1640235749 MLBKIAOIDRZWGD-VDGAXYAQSA-N 436.597 2.335 10 10 IECE O=C(NCc1cccc(Cl)c1O)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 1679625320 LVTPXAFOUAUCFP-ROUUACIJSA-N 428.920 2.444 10 10 IECE C[C@@H]1COCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1O 1693861116 UMUTZFGYFCSDBC-RYRKJORJSA-N 434.562 2.195 10 10 IECE COC[C@@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1712129000 VWKCCZVVYGYAMW-SFHVURJKSA-N 444.580 2.424 10 10 IECE CN(CCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1O)CC(F)(F)F 1729520087 XFXSVHXJCAXBDQ-HNNXBMFYSA-N 440.470 2.455 10 10 IECE CN(C)c1ccc(Cn2c([C@@H]3CCCCO3)nnc2N(C)CCS(C)(=O)=O)cc1F 1768495132 VWDUVUVFDREXOR-SFHVURJKSA-N 439.557 2.254 10 10 IECE CO[C@@H]1CCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccccc1O 1770578486 HMGALPFIDOINIK-UWWQBHOKSA-N 437.566 2.045 10 10 IECE CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(C)nn2CCC)[C@@H]1c1ccc(O)c(O)c1 1865029488 OLYQWHOUGQTLAK-IBGZPJMESA-N 444.532 2.328 10 10 IECE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)c3ccc4oc(O)nc4c3)CC2)cc1 1868961028 FKKFGXDOHYJISY-UHFFFAOYSA-N 438.484 2.399 10 10 IECE CCN(CC)c1ccc2nnc(CCC(=O)N3CCN(c4ccc(OC)cc4)CC3)n2n1 9118904 OVTFMGOFCGUOCN-UHFFFAOYSA-N 437.548 2.261 10 10 IECE CC(=O)Nc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)c(N2CCOCC2)c1 65166156 QIZPRDAQEGHDDO-UHFFFAOYSA-N 438.528 2.248 10 10 IECE CCOCCCN1C(=O)/C(=C\c2c(NCCCO)nc3ccccn3c2=O)SC1=S 102987250 GJBYPPHLLFFUPZ-FYWRMAATSA-N 448.570 2.117 10 10 IECE CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCc1ccc(N2CCNC(=O)C2)cc1 106188465 VJBHCVAOKPOECI-OAQYLSRUSA-N 442.947 2.347 10 10 IECE COc1ccc(-n2c(C)cc(C(=O)N[C@H]3CS(=O)(=O)C[C@H]3N3CCCC3)c2C)cc1 110966929 HQVGVXRMWFSWKO-LEWJYISDSA-N 431.558 2.094 10 10 IECE COc1ccc(OC[C@@H](O)CN(Cc2ccc(N(C)C)cc2)[C@H]2CCS(=O)(=O)C2)cc1 256037486 DQUDVXBNQDTLGB-SFTDATJTSA-N 448.585 2.190 10 10 IECE CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CCCC[C@H]2CS(N)(=O)=O)C1 768075169 ARBSKTABNKDHNH-KRWDZBQOSA-N 432.590 2.077 10 10 IECE 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NC(=O)N=Nc1ccc(C(=O)NCc2ccc(CN3CCS(=O)(=O)CC3)cc2)cc1 1451970234 XGJNLOFHXIXLIV-UHFFFAOYSA-N 429.502 2.009 10 10 IECE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@]1(C)Cc2ccc(C)cc2C(=O)O1 1466674308 PTFJJXWJVDDAKK-GAJHUEQPSA-N 427.453 2.168 10 10 IECE CCNS(=O)(=O)[C@H]1CCN(c2nnc(CC3CC3)n2Cc2ccc(N(C)C)cc2C)C1 1516028777 ZOLXGQKIHCBOLT-FQEVSTJZSA-N 446.621 2.171 10 10 IECE CCOCc1nnc(N2CC[C@@H](CN3CCOCC3)C2)n1Cc1ccc(N(C)C)c(F)c1 1516516929 CGTBNSUNYMSPII-IBGZPJMESA-N 446.571 2.227 10 10 IECE CCS(=O)(=O)NC1CCN(c2nnc(C)n2CCCSc2nccs2)CC1 1516832020 VZFDMHXCIHSHES-UHFFFAOYSA-N 430.625 2.134 10 10 IECE COCCCN(C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(N2CCSCC2)cc1 1519045001 KIFQBWPFIFAANT-UHFFFAOYSA-N 446.621 2.491 10 10 IECE C[C@H]1CN(c2ccc(CNC(=O)c3ccc4c(c3)C(=O)NCCO4)cc2F)C[C@H](C)O1 1526002347 AYXLFFCULZWTSN-GJZGRUSLSA-N 427.476 2.492 10 10 IECE COc1ccc(N2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(NC(C)=O)cc4)C3)CC2)cc1 1526035311 FOXDTRVURCNVLN-SFHVURJKSA-N 436.512 2.355 10 10 IECE 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O=C(CCCN1C(=O)C(=Cc2ccc(F)cc2)SC1=S)N[C@@H]1CCS(=O)(=O)C1 2297471676 FVWUTYPBKLCROA-CQSZACIVSA-N 442.559 2.110 10 10 IECE CSCC[C@H](C(=O)O)N1C(=O)/C(=C2\C(=O)N(C(C)=O)c3ccccc32)SC1=S 1867946 QACCSUTVUDNJEX-VEOJIXDASA-N 436.536 2.357 10 10 IECE COCCn1c(C)c(C)c2cc(C(=O)OCc3cn([C@@H]4COC[C@H]4OC)nn3)ccc21 811091638 QMBOZAXZQVKZCR-NHCUHLMSSA-N 428.489 2.439 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C\C(=O)Nc3cc(Br)nn3C)CC2)cc1 1298318511 TVQDLYSNQOZLEA-FPLPWBNLSA-N 448.321 2.035 10 10 IECE O=C(CC1(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CCCC1)N1CCOCC1 1301350607 RAAMZYCXLJBTIC-UHFFFAOYSA-N 429.561 2.073 10 10 IECE CC(=O)c1ccc(S(=O)(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)cc1F 1309865167 KGSROZGZLCHYPW-UHFFFAOYSA-N 433.505 2.209 10 10 IECE C[C@@H]1CN(c2nnc(Cc3ccccn3)n2Cc2ccc(N(C)C)c(F)c2)CC(=O)N1C 1494402875 QEUXBWFCWLXLLN-MRXNPFEDSA-N 437.523 2.184 10 10 IECE COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)Cc1ccc(-n2c(C)cc(C=O)c2C)cc1 1546257038 SZTBIUUSNJRZQD-NRFANRHFSA-N 441.528 2.269 10 10 IECE CN(Cc1ccccc1O)c1nnc([C@H]2CCC(=O)N2)n1Cc1nccc(C(F)F)n1 1554175707 SYPBRKQAMURDAW-CQSZACIVSA-N 429.431 2.347 10 10 IECE COC(=O)[C@@]1(C)C[C@@H](OC)CN1CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1560059532 SJFJLEWKTAVSDZ-JBEBIEQOSA-N 436.464 2.053 10 10 IECE COc1ccc(N2CC[C@H](NC(=O)N3CCC(NC(=O)c4cc(C)on4)CC3)C2)cc1 1565056474 WHVXMBWXJVBLJP-KRWDZBQOSA-N 427.505 2.174 10 10 IECE CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2ccc(I)cc2O)c1 1567501777 HJZMRWBNFNUVBL-UHFFFAOYSA-N 448.238 2.326 10 10 IECE COc1cc(N2CCN(C(=O)CCc3nnc(C(F)F)o3)CC2)cc(OC)c1OC 1584526645 UBSWLOQVPMDGEE-UHFFFAOYSA-N 426.420 2.314 10 10 IECE COc1ccc(N2CC[C@@H](CNC(=O)c3cnn(C)c3I)C2)cc1 1598362706 BZYQAZZTXLFJNG-LBPRGKRZSA-N 440.285 2.290 10 10 IECE C[C@@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)N1CCC[C@@](O)(CN(C)C)C1 1643601242 YOUVEPPKHPINJI-IVCQMTBJSA-N 435.524 2.178 10 10 IECE CN(C)CCN(C[C@H]1CCCO1)C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 1683195516 DUGRKQGFQHLHAC-QGZVFWFLSA-N 426.508 2.054 10 10 IECE CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)C1 1683701753 KWMRMHMHLWXTLO-LJQANCHMSA-N 439.564 2.209 10 10 IECE Cc1nnc(N(C)Cc2ccc(N3CCOCC3)cc2)n1CCC(=O)N1CCCCC1 1693461612 WEOCFKIJKMHDRR-UHFFFAOYSA-N 426.565 2.462 10 10 IECE CNC(=O)[C@H](C)CN(C)c1nnc(C2CC2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1711305485 WQKHHKJDDZBZHX-QGZVFWFLSA-N 440.592 2.231 10 10 IECE COC(=O)N1CCC(Cn2c(C(=O)NC(C)C)nnc2N(C)Cc2ccccc2O)CC1 1711464749 ZJRUZVOMFPDGKL-UHFFFAOYSA-N 444.536 2.237 10 10 IECE Cc1cc(-c2nc(CCN(C(C)C)S(C)(=O)=O)no2)ccc1NC(=O)C1=S=CC=C1 544238723 MAWCGHIUHUEXFY-UHFFFAOYSA-N 448.570 2.474 10 10 IECE Cc1cnccc1N1CCC(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1 751891409 ZYGNGIYFVPRGBY-UHFFFAOYSA-N 442.585 2.158 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C\C(=O)Nc3ccccc3C(=O)NC3CC3)CC2)cc1 778224044 PJKFIAGYHBCFAD-SEYXRHQNSA-N 448.523 2.431 10 10 IECE C[C@@H](OC(=O)[C@@]1(C)CCC(=O)NC1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 798778460 KKBLNPHJQQOJMJ-OZAJXLCCSA-N 434.448 2.249 10 10 IECE CC(=O)N1CCN(c2ccc(CNC(=O)Cc3c(F)cc([N+](=O)[O-])cc3F)cc2)CC1 808756130 BLEVCUTXDOGNAP-UHFFFAOYSA-N 432.427 2.400 10 10 IECE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3ccc(C4CC4)cc3)CC2)cc1 1130660246 XCKXPKYHNDYXCL-UHFFFAOYSA-N 443.569 2.454 10 10 IECE C[C@@H](CC(N)=O)N(C)c1nnc(Cc2ccccn2)n1Cc1ccc(N(C)C)c(F)c1 1288546217 BMKQMQXQFJAMQH-HNNXBMFYSA-N 425.512 2.217 10 10 IECE CC(C)N(C)C(=O)C1CCN(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)CC1 1313304314 IGKFXJCDODIAQU-UHFFFAOYSA-N 443.592 2.177 10 10 IECE COCCN(C)c1nnc(Cc2cccnc2)n1Cc1ccc(N2CCOCC2)c(F)c1 1316063295 KXPLJNFRNDSORT-UHFFFAOYSA-N 440.523 2.371 10 10 IECE COc1ccc2c(c1)c1c(n2CC(=O)N2CCCC[C@H]2CNS(C)(=O)=O)CCCC1 1357890667 UCYAEJBQJSMFJZ-INIZCTEOSA-N 433.574 2.459 10 10 IECE O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@H](O)[C@H](O)c1nc2ccccc2[nH]1 1464694318 KKIFHCLBXQBSTC-RBUKOAKNSA-N 446.454 2.344 10 10 IECE COc1ccc(N2CC[C@H](CNC(=O)c3ccccc3S(=O)(=O)CCN(C)C)C2)cc1 1469279494 DHOQGYXEOGCTNU-GOSISDBHSA-N 445.585 2.287 10 10 IECE C[C@H]1CN(c2nnc(CN3CCCC3=O)n2Cc2ccc(N(C)C)c(F)c2)C[C@H](C)O1 1512506287 ZYRKVIVMAPNTRR-HOTGVXAUSA-N 430.528 2.268 10 10 IECE CS(=O)(=O)[C@@H]1CCN(c2nnc(CC3CC3)n2CCCSc2nccs2)C1 1519516006 GLQWJWNAIMFCFD-CQSZACIVSA-N 427.621 2.493 10 10 IECE COc1ccc(N2CC[C@H](NC(=O)c3cc(S(=O)(=O)N4CCCCC4)cn3C)C2)cc1 1532105343 LEIHEGUVYCGOSC-KRWDZBQOSA-N 446.573 2.217 10 10 IECE COC(=O)c1cc(OCC(=O)N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)ccc1N(C)C 1559456431 BXSQKSPQPIRPSZ-KRWDZBQOSA-N 445.560 2.415 10 10 IECE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N1CCOC[C@@H]1c1ccc(F)cc1 1636797127 XSQAYYMDSDODBF-OAQYLSRUSA-N 447.532 2.344 10 10 IECE C[C@@H](NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OCc1ccccc1)c1ccccc1O 1642824245 NEWNTWUHKWOXCD-CRAIPNDOSA-N 434.514 2.299 10 10 IECE CN(Cc1ccccc1O)c1nnc(CN2CCCC2=O)n1CCCNC(=O)C1CCC1 1696701178 WINHTEKKEJTPSX-UHFFFAOYSA-N 440.548 2.049 10 10 IECE CCN(CC)[C@@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1O 1710014332 YGJJJEQFLIUOQI-FUHWJXTLSA-N 435.594 2.253 10 10 IECE CNC(=O)[C@]1(C)CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(N(C)C)c(F)c2)C1 1729644112 PYFIMKLWIMTGMZ-UZUQRXQVSA-N 444.555 2.388 10 10 IECE CNC(=O)CCN(C)c1nnc(CC(C)(C)C)n1Cc1ccc(N2CCOCC2)cc1 1729713424 REYADZWYKQEFPU-UHFFFAOYSA-N 428.581 2.324 10 10 IECE COc1ccc(N2CCN(c3nnc(C(C)C)n3CC3(O)CCOCC3)CC2)cc1F 1748849024 BLBAPWDMTXBBHU-UHFFFAOYSA-N 433.528 2.417 10 10 IECE CNC(=O)[C@]1(C)CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(N(C)C)cc2C)C1 1769162291 KXOGVFPCAHAJKY-HSZRJFAPSA-N 436.564 2.064 10 10 IECE CC(=O)NCCn1cc(OCC(N)=O)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1871119848 MOTNXBXALGUHED-UHFFFAOYSA-N 449.511 2.204 10 10 IECE COc1ccc(N2CCN(C(=O)COC(=O)CCc3ccc4c(c3)OCCO4)CC2)cc1 27010102 LOFGNHDPJMPEAR-UHFFFAOYSA-N 440.496 2.291 10 10 IECE C[C@@H]1CN(Cc2ccc(C(=O)NCc3ccc(N4CCNC(=O)C4)cc3)cc2)C[C@@H](C)O1 29473427 RFGGRZJAJPRFQC-RTBURBONSA-N 436.556 2.162 10 10 IECE COCCN1C(=O)/C(=C\c2c(NC[C@H]3CCCO3)nc3ccccn3c2=O)SC1=S 33436480 PRQKUVRPDFXPBM-WDGDVPDHSA-N 446.554 2.133 10 10 IECE COc1ccc(N2CCN(CCNC(=O)NCc3cc(OC)c(O)c(OC)c3)CC2)cc1 726248117 RQXZFVVFTZECPU-UHFFFAOYSA-N 444.532 2.039 10 10 IECE CNC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccccc3)c(CC(=O)OC)s2)cn1C 727251461 ZKAOIZHKEVQWKD-UHFFFAOYSA-N 448.526 2.025 10 10 IECE Cc1cc(C(=O)CN(C)[C@H]2CCN(C3CC3)C2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 732214388 QNDJNNPYRXHTHE-IBGZPJMESA-N 430.574 2.093 10 10 IECE COc1ccc(N2CCN(C(=O)CN(C)[C@H]3CCN(c4ccccc4F)C3=O)CC2)cc1 732814725 UAZCYWVWTKCNKZ-QFIPXVFZSA-N 440.519 2.220 10 10 IECE O=c1n(-c2cccc(NS(=O)(=O)c3cc(F)cc(F)c3O)c2)c(O)c(O)n1C1CC1 753018199 KQROQPQLGYBAJJ-UHFFFAOYSA-N 439.396 2.170 10 10 IECE O=C(Cc1noc(-c2cc(NS(=O)(=O)c3cccs3)ccc2O)n1)N1CCCC1 771018444 ZKRBNCBFDYSPGW-UHFFFAOYSA-N 434.499 2.469 10 10 IECE CCn1cc(S(=O)(=O)NC(=O)Cn2c3c(c4ccccc42)CN(C(C)C)CC3)cn1 774131265 NMXBGGYUQWWOSV-UHFFFAOYSA-N 429.546 2.129 10 10 IECE COC(=O)c1cc(Br)cc(S(=O)(=O)Nc2ccc(O)cc2C(=O)O)c1 776432779 CUESXNJYUWLIIM-UHFFFAOYSA-N 430.232 2.440 10 10 IECE COc1cc(C)nc(/C=C2/SC(=S)N(Cc3ccc(S(N)(=O)=O)cc3)C2=O)c1 776726914 QHNSFMGWJZYZSR-CXUHLZMHSA-N 435.552 2.447 10 10 IECE NC(=O)C1CCN(c2ccc(CNC(=O)C(F)(F)Oc3ccc(C=O)cc3)cc2)CC1 1178038786 HKVXEYKCVFCHJQ-UHFFFAOYSA-N 431.439 2.489 10 10 IECE C[C@@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)N1CCC([C@H](F)C(N)=O)CC1 1196962893 UURPEBYVPPDXFG-RBZFPXEDSA-N 437.471 2.324 10 10 IECE COc1ccc(N2CCCN(c3nnc([C@H]4CCOC4)n3C[C@H](C)N(C)C)CC2)cc1 1315512865 PGTDYPRMSZDLSC-OALUTQOASA-N 428.581 2.457 10 10 IECE CC(C)c1nnc(N2CCC(OCC(N)=O)CC2)n1Cc1ccc2c(c1)CCCN2C 1541347867 PKQLYTIFTMDYJC-UHFFFAOYSA-N 426.565 2.303 10 10 IECE CN(C)CCn1c(O)nc2ccc(C(=O)NCc3ccc(N4CCC(O)CC4)cc3)cc21 1557638592 BNIRKQYUHNDKOM-UHFFFAOYSA-N 437.544 2.195 10 10 IECE COc1ccc(N2CC[C@H](NC(=O)NCc3cccc(N4CCCS4(=O)=O)c3)C2)cc1 1564511362 MPZVOCMZXDOYIY-SFHVURJKSA-N 444.557 2.313 10 10 IECE Cc1c(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 1624626365 PDCLLWDYPAULLS-UHFFFAOYSA-N 432.502 2.423 10 10 IECE NS(=O)(=O)c1ccsc1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 1626480509 VOKDEBLGFTZNCP-UHFFFAOYSA-N 431.486 2.396 10 10 IECE CN1CCN(c2ccc(CNC(=O)N3CCOC[C@H]3C[C@H](O)c3ccco3)cc2)CC1 1687441352 KERISNVUKFASEU-RTWAWAEBSA-N 428.533 2.066 10 10 IECE COc1ccc(N2CCN(c3nnc(C4CCC4)n3CCS(C)(=O)=O)CC2)cc1F 1697471506 DJWPKGSVSLUTCB-UHFFFAOYSA-N 437.541 2.065 10 10 IECE CCOCc1nnc(N2CCO[C@]3(CCO[C@@H]3C)C2)n1Cc1ccc(N(C)C)c(F)c1 1710752974 KBXNPTHQGHGVLT-OPAMFIHVSA-N 433.528 2.452 10 10 IECE CC(C)NC(=O)c1nnc(N2CCOC3(CCC3)C2)n1Cc1ccc(N(C)C)c(F)c1 1741680578 ISANRECDXRVUNW-UHFFFAOYSA-N 430.528 2.429 10 10 IECE CCc1nnc(N(C)C[C@H]2CCN(C(C)=O)C2)n1Cc1ccc(N2CCOCC2)c(F)c1 1744557605 PDVMUXNWQVTBEO-LJQANCHMSA-N 444.555 2.169 10 10 IECE CN(Cc1ccccc1O)c1nnc(-c2cnn(C)c2)n1C[C@]1(N(C)C)CCSC1 1747750089 KXLFZHAKTACSDV-OAQYLSRUSA-N 427.578 2.458 10 10 IECE CCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@@H](C)C1)=C(N)O2 1865035708 ZPLBIMJBTSTSEH-LXIYXOSZSA-N 442.516 2.207 10 10 IECE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3S(=O)(=O)c3ccccc3F)CC2)cc1 1891502078 RDEVFKNEXVYNBP-FQEVSTJZSA-N 447.532 2.336 10 10 IECE C[C@H](C(=O)N[C@@H]1C=CS(=O)(=O)C1)N1C(=O)C(=CC=Cc2ccccc2)SC1=S 2296576827 KWGTVODLZUDOMP-UKRRQHHQSA-N 434.564 2.259 10 10 IECE COc1ccc(/C=C2/SC(=S)N(CCCC(=O)N3CCN(C)CC3)C2=O)cc1OC 33436612 GABIORDAWSKKJY-NBVRZTHBSA-N 449.598 2.459 10 10 IECE C[C@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)N(C)C[C@@H]1CCS(=O)(=O)C1 740889209 ZLXRMYNDPSLUBW-CABCVRRESA-N 440.521 2.156 10 10 IECE Cc1c(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cccc1S(N)(=O)=O 754479328 CAEZKXKCPYFOQR-MRXNPFEDSA-N 437.949 2.396 10 10 IECE C[C@@H](NCc1ccc(S(=O)(=O)N2CCOCC2)s1)c1cc([N+](=O)[O-])ccc1O 756400193 IUHSONRTKKRVKT-GFCCVEGCSA-N 427.504 2.234 10 10 IECE COc1ccc(S(=O)(=O)NC(=O)Cn2c3c(c4ccccc42)CN(C(C)C)CC3)cn1 774266385 OMCMTXXSADXYLE-UHFFFAOYSA-N 442.541 2.317 10 10 IECE COc1ccc(N2CCC(NC(=O)C(=O)N3CC[C@H](C)[C@@H](n4ccnc4)C3)CC2)cc1 804318918 FOEIENNLFHGYDK-UWJYYQICSA-N 425.533 2.086 10 10 IECE COc1ccc(N2CCN(CCNC(=O)c3cn(CCc4ccccc4)nn3)CC2)cc1 1136454363 VLCQWJVDEWEUEE-UHFFFAOYSA-N 434.544 2.081 10 10 IECE COC(=O)[C@H](C)[C@H](NC[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1)c1ccccc1 1167813436 YBUJZEHVWQRNAX-CKUXNOBLSA-N 441.572 2.318 10 10 IECE C[C@@H]1CN(C)C(=O)CN1c1nnc(Cc2cccnc2)n1Cc1ccc(N(C)C)c(F)c1 1291192856 QWXWUYRTSHXYDL-MRXNPFEDSA-N 437.523 2.184 10 10 IECE CN(Cc1ccccc1O)c1nnc(Cc2ccncc2)n1CC1(CS(C)(=O)=O)CC1 1314752574 BFVSDCSTGLJSPB-UHFFFAOYSA-N 441.557 2.431 10 10 IECE Cc1ccc(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1N1CCOCC1 1356433601 OMNCTDURKKYJTH-NRFANRHFSA-N 436.556 2.463 10 10 IECE CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=O)NCc1ccc(N2CCN(C)CC2)cc1 1469483407 ZLCCRLDWRMGKJT-FQEVSTJZSA-N 444.601 2.490 10 10 IECE COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3CC(=O)N(c4ccc(OC)cc4OC)C3)C2)cc1 1538745928 HQAXLDCPCGQLAQ-IAGOWNOFSA-N 439.512 2.460 10 10 IECE COc1cc(N2CCN(C(=O)c3cccc4c3NC(=O)CO4)CC2)cc(OC)c1OC 1584525582 DWFIFQNDQRUIRC-UHFFFAOYSA-N 427.457 2.006 10 10 IECE O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@@H](O)[C@@H](O)c1nc2ccccc2[nH]1 1595582947 HNELMRUOYZLHAK-YSGRDPCXSA-N 444.919 2.097 10 10 IECE COCC(=O)N1CCN(C(=O)c2cc(C)n(-c3ccc(Br)cn3)c2C)CC1 1596241632 QWQUWKSRCKBXEO-UHFFFAOYSA-N 435.322 2.182 10 10 IECE COc1ccc(N2CCN(C(=O)CCCCn3cnc4c(N)ncnc43)CC2)cc1F 1630202223 PUUZAGAIRFPZLE-UHFFFAOYSA-N 427.484 2.075 10 10 IECE COc1cccc2c1OCC[C@H]2NC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1636532014 SRMXEDRTTPFTHI-LJQANCHMSA-N 445.541 2.253 10 10 IECE CC(=O)N1CCN(c2ccc(CNC(=O)OC3CN(C(=O)OC(C)(C)C)C3)cc2)CC1 1663369276 BOEXYWISKHYFKG-UHFFFAOYSA-N 432.521 2.201 10 10 IECE Cc1ccc(CN2CC[C@H](NC(=O)NCc3ccc(N4CCN(C)CC4)cc3)C2=O)cc1 1680772999 HYRQHLVIEDIKHT-QHCPKHFHSA-N 435.572 2.347 10 10 IECE CC(C)C(=O)NCCN(C)c1nnc(CC2CC2)n1Cc1ccc(N2CCOCC2)cc1 1760851991 BZIMLRDPDVBGBN-UHFFFAOYSA-N 440.592 2.324 10 10 IECE CN(Cc1ccccc1O)c1nnc([C@H]2CCCCO2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1767112334 YDFJIZALXRXKNE-QFBILLFUSA-N 449.577 2.143 10 10 IECE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)CCc3ncc4ccccn34)CC2)cc1 1868800742 SLJYHJLTCPVEGS-SFHVURJKSA-N 435.528 2.129 10 10 IECE COc1c([N+](=O)[O-])cc(N2CCN(c3nccn3C)CC2)c([N+](=O)[O-])c1Br 745972772 FFTOPENDGCDZHA-UHFFFAOYSA-N 441.242 2.334 10 10 IECE O=C(c1cccc(O)c1O)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 790462828 FMWKULZEWVBOJJ-UHFFFAOYSA-N 430.404 2.263 10 10 IECE O=C1CC(=O)N(c2ccc(F)cc2)N=C1C(=O)NCc1cc(Br)ccc1O 804735926 LLCULVLZKQYDQC-UHFFFAOYSA-N 434.221 2.272 10 10 IECE CN(C)c1ccc([C@@H](CNC(=O)Cc2nnn(C(C)(C)C)n2)NC(=O)OC(C)(C)C)cc1 1293792052 DEPJKDPIFQXGMU-QGZVFWFLSA-N 445.568 2.419 10 10 IECE CO[C@@](C)(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1O)C1CC1 1299510083 JLQHSNHQNFFQTQ-IERDGZPVSA-N 434.562 2.337 10 10 IECE COc1ccc(N2CC[C@@H](CNC(=O)NC[C@H](CO)Cc3ccc(OC)c(O)c3)C2)cc1 1312903007 SAHSEVNHFSCGSS-RBUKOAKNSA-N 443.544 2.386 10 10 IECE C[C@H]1CO[C@@H](C(F)(F)F)CN1C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1313305133 OKXSRHOLNQSCOU-SUMWQHHRSA-N 428.455 2.250 10 10 IECE CN1CCCc2cc(CNC(=O)[C@H]3CCCN(CCNC(=O)OC(C)(C)C)C3=O)ccc21 1442386939 NZRSPBTWKVADMK-LJQANCHMSA-N 444.576 2.449 10 10 IECE O=C(NCc1ccc(N2CCOCC2)cc1)c1cc(Br)ccc1-n1cnnn1 1542300836 OURHPKYDVPETSM-UHFFFAOYSA-N 443.305 2.191 10 10 IECE CN1CCN(c2ccc(CNC(=O)[C@@]34CN(C(=O)OC(C)(C)C)C[C@@H]3CCO4)cc2)CC1 1558124157 MZEFBBJVDZLMMQ-YADARESESA-N 444.576 2.081 10 10 IECE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1c(Br)nc2n1CCOC2 1587459828 JACRWZXFDNCDTN-UHFFFAOYSA-N 435.322 2.285 10 10 IECE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)CCc1c(C)nc2c(C(N)=O)cnn2c1C 1597801101 XEXAQPWSCBKNTK-HNNXBMFYSA-N 436.560 2.499 10 10 IECE CCN(CC)c1ccc(Cn2c(C)nnc2N2CCC3(CC2)NC(=O)N(C)C3=O)cc1 1615376649 WPEJXGAWABMTGH-UHFFFAOYSA-N 425.537 2.002 10 10 IECE Cc1nc([C@@H]2CCN(CC(=O)NCc3ccc(N4C[C@H](C)O[C@H](C)C4)c(F)c3)C2)no1 1620577002 QZSUEIMYGYQJCE-RVKKMQEKSA-N 431.512 2.236 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NC[C@@H]3CCOC4(CCC4)C3)CC2)cc1 1624541913 RRJITLLQNZKVOD-IHHMQQGQSA-N 427.545 2.366 10 10 IECE Cc1cc(S(N)(=O)=O)oc1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 1630368369 GHIQOVQZZMXCFF-UHFFFAOYSA-N 447.435 2.021 10 10 IECE CCOC(=O)c1cc2n(n1)C[C@H](C)N(C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C2 1638918712 YZJHBSRGGCKBQC-HRAATJIYSA-N 442.564 2.342 10 10 IECE COc1ccc(N2CC[C@H](NC(=O)CCc3c(C)[nH]c(-c4ccncc4)nc3=O)C2)cc1 1641228096 LTASFPHIEQEKSC-SFHVURJKSA-N 433.512 2.477 10 10 IECE CNC(=O)c1cccc(NC(=O)[C@H](C)N2CCN(c3ccc(OC)cc3OC)CC2)c1 1644225271 DQSMVNKPHIVTLG-INIZCTEOSA-N 426.517 2.213 10 10 IECE COC(=O)COc1ccc(N(C)CCCS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 1658210645 BOVCPUPDWRLMMR-UHFFFAOYSA-N 434.514 2.497 10 10 IECE CC(=O)Nc1ccc2c(c1)CN(CC(=O)NCc1ccc(N3CCOCC3)c(F)c1)CC2 1660070284 CNRIQKODBNNIAB-UHFFFAOYSA-N 440.519 2.295 10 10 IECE COC(=O)CC[C@@H]1CCCN(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)C1 1685330913 HQDBEFBUAPPMRW-SFHVURJKSA-N 430.549 2.263 10 10 IECE CN1CCN(c2ccc(CNC(=O)N3CCN(c4cccc(F)c4)C(=O)C3)cc2)CC1 1687441194 DIYWAPAHSIQDDM-UHFFFAOYSA-N 425.508 2.136 10 10 IECE CC(=O)N1CCCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(N(C)C)c(F)c2)CC1 1749834438 HOEBWNXRSDIYST-GOSISDBHSA-N 430.528 2.094 10 10 IECE CN(C)c1ccc(C=CC(=O)N2CCc3cc(S(=O)(=O)N4CCOCC4)ccc32)cc1 2314842105 FIQGAKATIKDOBI-UHFFFAOYSA-N 441.553 2.376 10 10 IECE O=C1/C(=C\c2c(SCCO)nc3ccccn3c2=O)SC(=S)N1C[C@H]1CCCO1 35229277 JOCCJEDQVNJFEO-HLVNSREUSA-N 449.579 2.159 10 10 IECE COc1ccc(N2CCN(C(=O)Cn3c4ccccc4c4cnn(C)c(=O)c43)CC2)cc1 64775834 YOPCXAMLLARKGI-UHFFFAOYSA-N 431.496 2.246 10 10 IECE Cc1cc(C(=O)COC(=O)[C@@H]2CNC(=O)N2)c(C)n1-c1ccc(OC(F)(F)F)cc1 732361672 MMJDHIPNFAUJGL-HNNXBMFYSA-N 425.363 2.400 10 10 IECE CNC(=O)CC1CCN(C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)CC1 769037020 XXHIFGGZZTWJKA-UHFFFAOYSA-N 427.593 2.276 10 10 IECE CS(=O)(=O)Cc1ccc(S(=O)(=O)NCc2cc(Br)ccc2O)cc1 796191624 YAKTUCFPZCMOLA-UHFFFAOYSA-N 434.333 2.178 10 10 IECE C[C@H]1CN(c2ccc(CNC(=O)CN3CC(C)(C)O[C@]4(CCOC4)C3)cc2F)C[C@@H](C)O1 796559535 RMALZBAILRXRKB-NXMSCROESA-N 449.567 2.325 10 10 IECE COC(=O)Cn1ncc(NC(=O)C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)c1C 796650184 SDSLMYWPEJCNHX-UHFFFAOYSA-N 437.500 2.069 10 10 IECE O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21)NCc1cc(Br)ccc1O 804735787 FNAJSSLQOOQRDW-IVMMDQJWSA-N 428.352 2.497 10 10 IECE Cc1ccc(-n2c(C)cc(C(=O)CN3CCCN(S(=O)(=O)N(C)C)CC3)c2C)cc1 810091440 UZLFYVZXSWJWOJ-UHFFFAOYSA-N 432.590 2.399 10 10 IECE COc1ccc(N2CCN(CCCNC(=O)NCCc3c(C)nn(C)c3C)CC2)cc1 916197423 ZBTQNOSYWNXCNZ-UHFFFAOYSA-N 428.581 2.100 10 10 IECE NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)CCc3nc(-c4ccncc4)no3)cc2)C1 917834992 VZYUEFNSTZUMTH-GOSISDBHSA-N 434.500 2.082 10 10 IECE CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(O)cc3O)CC2)cc1 1142529898 IMHIKPSXPJTCSB-UHFFFAOYSA-N 434.514 2.214 10 10 IECE COc1ccc(N2CC[C@@H](NC(=O)CNC(=O)c3c(Cl)cccc3[N+](=O)[O-])C2)cc1 1146951023 QAPGDXMPJYSAIS-CYBMUJFWSA-N 432.864 2.382 10 10 IECE COc1ccc(C(=O)NCCN2CCN(c3cc(OC)c(OC)cc3[N+](=O)[O-])CC2)cc1 1185476683 BKLZGGSPRHMDOP-UHFFFAOYSA-N 444.488 2.173 10 10 IECE CN(CCS(C)(=O)=O)c1nnc([C@H]2CCCO2)n1CCCSc1nccs1 1298782292 QWQIQGFMKVTXQO-CYBMUJFWSA-N 431.609 2.249 10 10 IECE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C)C2)n1Cc1ccc(N2CCOCC2)cc1 1302108698 QLTJFDUNPHCVPU-MOPGFXCFSA-N 445.564 2.112 10 10 IECE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1CC[C@@H](F)C1 1303812297 WTCLQTMYIHONOV-SQWLQELKSA-N 425.530 2.369 10 10 IECE COc1ccc(N2CC[C@H](CNC(=O)c3cc(Cl)sc3S(N)(=O)=O)C2)cc1 1452034343 SWIKAHHNDOXLLU-LLVKDONJSA-N 429.951 2.314 10 10 IECE COC(=O)[C@H]1CCN(C(=O)c2cccc(-n3c(C)cc(C=O)c3C)c2)[C@H](C(=O)OC)C1 1466318718 ZEQYMVKYNHOIFA-PXNSSMCTSA-N 426.469 2.473 10 10 IECE Cc1sc2ncn(CC(=O)NCc3ccc(N4CCN(C)CC4)cc3)c(=O)c2c1C 1536925539 YJZTVUGVVQIHNE-UHFFFAOYSA-N 425.558 2.143 10 10 IECE CC(=O)N1CCC[C@H](Cn2c(CN3CCCC3=O)nnc2N(C)Cc2ccccc2O)C1 1540961237 XGTSYEVNNRRALE-SFHVURJKSA-N 440.548 2.001 10 10 IECE CC[C@@](C)(O)Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1545220566 WTHXXPDVRFPYAY-HSZRJFAPSA-N 439.564 2.313 10 10 IECE COc1ccc(N2CCN(C(=O)Cc3c(C)[nH]c(-c4ccncc4)nc3=O)CC2)c(OC)c1 1586630277 IYKHBLISSYTBNT-UHFFFAOYSA-N 449.511 2.049 10 10 IECE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@@H](C)c3ccsc3)CC2)cc1 1586836925 SLISNSCOGDZGRA-INIZCTEOSA-N 437.587 2.128 10 10 IECE CN(Cc1ccccc1O)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1OCCC1(C)C 1617941296 WBZDGQWNABZSSG-FUHWJXTLSA-N 434.562 2.337 10 10 IECE C[C@H](C(=O)N(C)Cc1ccc(N2CCOCC2)cc1)[C@@H](O)CN(C)C(=O)OC(C)(C)C 1623451523 GUNZGGCSVKCNDR-PXNSSMCTSA-N 435.565 2.346 10 10 IECE CCOCn1nc(C)c(CC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1C 1630737859 COQQUPWGEHGZTE-IBGZPJMESA-N 427.549 2.055 10 10 IECE NC(=O)C1CCN(c2ccc(CNC(=O)c3ccc(N4CCC(O)CC4)cc3)cc2)CC1 1638488648 LXTCKBBGGFWQBL-UHFFFAOYSA-N 436.556 2.279 10 10 IECE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1nc(C)n(-c2n[nH]c(C(F)(F)F)n2)n1 1639341747 YBFSYGKHWHYTCU-LLVKDONJSA-N 436.442 2.448 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N[C@@H](C)CN3CCC(C)CC3)CC2)cc1 1641407494 GXFLIZRVYMEDQE-IBDYFIJFSA-N 428.577 2.137 10 10 IECE CCC(CC)[C@@H](C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1)N1CCOCC1 1645591768 LEEDRLCRJROKFI-QFIPXVFZSA-N 430.593 2.142 10 10 IECE Cc1c(S(N)(=O)=O)sc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c1Cl 1647082806 VIFYHXNBIFRXIB-CQSZACIVSA-N 445.010 2.456 10 10 IECE Cc1cc(O)nc(C(C)(C)NCC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)n1 1654447452 XMUUJPUJMSRINN-IYBDPMFKSA-N 445.539 2.384 10 10 IECE CC[C@](C)(C(=O)OC)N(CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)CC1CC1 1659091479 CRWJMWBUWJHNHF-HSZRJFAPSA-N 435.540 2.332 10 10 IECE COC(=O)c1cc2n(n1)CCC[C@H]2NC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 1673825910 HXNDRZWPGPPZFU-MAUKXSAKSA-N 427.505 2.339 10 10 IECE CCO[C@H]1C[C@H](N(C)C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C12CCC2 1683729973 BALUKNCFQOFDIG-PMACEKPBSA-N 435.590 2.411 10 10 IECE COc1ccc(N2CCCN(c3nnc(C)n3C[C@@H]3CCCS(=O)(=O)C3)CC2)cc1 1748847003 FKHGABCTZSUAKD-SFHVURJKSA-N 433.578 2.137 10 10 IECE CCN1CCN(c2ccc(CNC(=O)N(C)Cc3nc([C@@H](C)OC)no3)cc2F)CC1 747955944 YDGJSGPWZPGVMA-OAHLLOKOSA-N 434.516 2.400 10 10 IECE CCOC(=O)c1cnn2c(O)cc(CN[C@@H]3CC(=O)N(C)[C@H]3c3ccc(Cl)cc3)nc12 755155105 BUNWUEDGVHEEDA-APWZRJJASA-N 443.891 2.327 10 10 IECE O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCOC[C@@H]1C[C@@H](O)c1ccco1 756686407 QQYDJMFYBCFMEA-FXAWDEMLSA-N 433.480 2.289 10 10 IECE CN(C)c1ccc(CNC(=O)COc2ccc(Cl)cc2S(=O)(=O)N(C)C)cc1 766065852 AIDUEFJHRGLMNZ-UHFFFAOYSA-N 425.938 2.352 10 10 IECE CCn1nccc1S(=O)(=O)Nc1nc(-c2ccc(S(=O)(=O)N(C)C)cc2)cs1 769851368 XLKNBADUGKSQTG-UHFFFAOYSA-N 441.560 2.078 10 10 IECE NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)N3CCC4(CCCCC4)C3)cc2)C1 793716984 CTNQTFOWBYQMRS-LJQANCHMSA-N 426.561 2.187 10 10 IECE CCN(C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)[C@H]1CCOC1 813045042 LBQPKQRSLYBVJW-SFHVURJKSA-N 428.512 2.263 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N[C@](C)(c3noc(C)n3)C3CC3)CC2)cc1 817624554 WJSSCKBGBUHUIF-JCKUYFFHSA-N 439.516 2.033 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C\C(=O)Nc3cccc(-c4cn(C)nn4)c3)CC2)cc1 1301134533 XLSUVEIVBVMWAS-KHPPLWFESA-N 446.511 2.334 10 10 IECE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccccc2O)n1C[C@H]1NC(=O)CC1(C)C 1302254049 QHCMJEXKIRMBRY-HQRMLTQVSA-N 443.548 2.259 10 10 IECE COc1ccc(N2CCN(c3nnc(CC(C)(C)C)n3C[C@@]3(O)CCOC3)CC2)cc1F 1315512929 QACXATLBEMPDSW-QHCPKHFHSA-N 447.555 2.492 10 10 IECE CC(=O)N1CCN(c2ccc(CNC(=O)c3nn(C)c(C)c3Br)cc2)CC1 1447705302 CSUUNLKTGWSHET-UHFFFAOYSA-N 434.338 2.090 10 10 IECE COC(=O)COc1ccc(N(C)C[C@@H]2CC3(CN(C(=O)OC(C)(C)C)C3)C(=O)O2)cc1 1473373298 SDWUQDMWWBUDJN-KRWDZBQOSA-N 434.489 2.227 10 10 IECE COc1ccc(CNC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)c(C)c1OC 1478944452 CAANIEDVUPBZMR-UHFFFAOYSA-N 447.557 2.246 10 10 IECE CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)C1=CC[C@@H](NC(=O)OC(C)(C)C)C1)CC2 1537828654 MYPFFCIMNHPJEO-MRXNPFEDSA-N 435.546 2.440 10 10 IECE O=C(CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)N1CCC[C@H](OCCO)C1 1556206523 UREWWQCZQPPYLM-BQGMYUGNSA-N 438.546 2.417 10 10 IECE COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)C1 1564962034 CPIZYCQCDZKOMC-IPMKNSEASA-N 432.565 2.094 10 10 IECE 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O=C(/C=C\c1ccc(N2CCCCCC2)cc1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 96883335 XKUWIUWPRJURRD-LWAZDOKKSA-N 431.602 2.412 10 10 IECE COc1ccc(N2CCN(CCNC(=O)N3CC[C@@H](C(=O)OC(C)(C)C)C3)CC2)cc1 749561009 DZPIABQQYQPGTM-GOSISDBHSA-N 432.565 2.190 10 10 IECE CNC(=O)C[C@H](NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccccc1 797432882 XFAJWRIGFYGBIU-FQEVSTJZSA-N 428.508 2.463 10 10 IECE COc1ccccc1C1(NC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1 1230797868 CAYNHCQBFLFBNS-UHFFFAOYSA-N 429.542 2.419 10 10 IECE COC(=O)c1cc(CNC(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)n(C)c1C 1251750879 PVPVJSCJHMWBDN-UHFFFAOYSA-N 436.459 2.234 10 10 IECE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(C)n1Cc1ccc(N2CCSCC2)cc1 1297655206 MPNJROCLOVEZCW-INIZCTEOSA-N 437.635 2.447 10 10 IECE CN(C)C(=O)OC1CCN(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)CC1 1312833988 ROWGDYFEAAQMKK-UHFFFAOYSA-N 426.464 2.174 10 10 IECE CCN(CC)c1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](COC)C2)cc1 1313672915 IHBOMAHJTWQOBS-HXUWFJFHSA-N 444.580 2.162 10 10 IECE COCCCNC(=O)C1CCN(C(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)CC1 1478861190 WHHMMQZIVXJDGX-GOSISDBHSA-N 432.565 2.096 10 10 IECE CC(C)C(=O)N1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(N(C)C)c(F)c2)CC1 1541263343 HJBCXSZNKYJHMS-SFHVURJKSA-N 444.555 2.340 10 10 IECE COC(=O)[C@@]1(OC)CCN([C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C1 1560010239 PGNNHLPKCJIOCN-LFPIHBKWSA-N 436.464 2.053 10 10 IECE COC(=O)c1ccc(CNC(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)c(F)c1 1565364701 UZYPHSFJFXRQMA-UHFFFAOYSA-N 442.491 2.313 10 10 IECE Cc1noc(COc2ccc(C(=O)NCc3cc(F)c(N4CCOCC4)c(F)c3)cn2)n1 1583384239 ZFKFCXWKVJPLRR-UHFFFAOYSA-N 445.426 2.397 10 10 IECE CC(C)(C)OC(=O)NC1(CC(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)CC1 1584506630 DSDIYMDYLDYJLK-UHFFFAOYSA-N 430.549 2.452 10 10 IECE Cc1cc(C(=O)NC[C@@H]2CCS(=O)(=O)C2)c(C)n1-c1ccc(Br)cn1 1588227264 WDIVNIVUZUOZMX-ZDUSSCGKSA-N 426.336 2.416 10 10 IECE Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NCc2nnc3ccc(N(C)C)nn23)cc1 1597516660 OUKSVEAKQYVADU-UHFFFAOYSA-N 431.500 2.269 10 10 IECE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@@H]3CCCCC3(C)C)CC2)cc1 1616822713 GINJOVSCSHHIHR-FQEVSTJZSA-N 437.606 2.480 10 10 IECE COc1ccc(N2CCN(CCCNC(=O)[C@@]3(C(=O)OC(C)(C)C)CCCO3)CC2)cc1 1623437592 XJVGRKQDQBHWCP-XMMPIXPASA-N 447.576 2.214 10 10 IECE CCCCC(=O)N1CSC[C@@H]1C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1626090366 DVSIWSAFXCBTAS-LJQANCHMSA-N 432.590 2.096 10 10 IECE O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1c[nH]nc1I 1629879695 QWCDEAPUFKICCK-UHFFFAOYSA-N 440.285 2.153 10 10 IECE CC(C)(O)[C@H](Oc1ccccc1)C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1638489411 ZGRFJLCVZNCTOY-OAQYLSRUSA-N 425.529 2.223 10 10 IECE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NCc2ccc(O)cc2O)cc1 1639441011 FSOPWKZNAHBWTA-IBGZPJMESA-N 432.498 2.160 10 10 IECE Cn1cc(C[C@H]2CCC[C@H]2NCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cn1 1643861967 YGBRXSCLZBEDSM-TZIWHRDSSA-N 429.540 2.013 10 10 IECE CN1CCN(c2ccc(CNC(=O)N3CCC(CNC(=O)C(F)(F)F)CC3)cc2)CC1 1687441774 YMMBFIJRJDLEDO-UHFFFAOYSA-N 441.498 2.039 10 10 IECE Cc1cc(-c2nnc(N3CC(=O)N(C)C[C@H]3C)n2CC(=O)N(C)C)c(C)n1-c1ccccc1 1692984333 RIVPMAPILQTWHD-QGZVFWFLSA-N 449.559 2.108 10 10 IECE CN(C)c1ccc(Cn2c(-c3ccc[nH]3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)cc1F 1696608586 YZCRVOOVTYYEQO-OAHLLOKOSA-N 432.525 2.150 10 10 IECE CC(C)(C)Cc1nnc(N2CC[C@H](C(N)=O)C2)n1Cc1ccc(N2CCOCC2)c(F)c1 1706129634 QCHFRGPYRKFRPX-KRWDZBQOSA-N 444.555 2.202 10 10 IECE C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(N(C)C)c(F)c2)C[C@@H](C)O1 1752281069 LTOAKONDUWESFX-HZPDHXFCSA-N 430.528 2.381 10 10 IECE CC(C)NC(=O)c1nnc(N(C)[C@@H]2CCOC2)n1Cc1ccc(N2CCSCC2)cc1 1761197103 KQACVBOWQWMJLI-LJQANCHMSA-N 444.605 2.243 10 10 IECE CCn1cnnc1Cn1c(N(C)Cc2ccccc2O)nnc1[C@@]1(OC(C)C)CCOC1 1766983922 INTWYCXKAZSANP-JOCHJYFZSA-N 441.536 2.320 10 10 IECE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(C)n1Cc1ccc(N2CCC(CO)CC2)cc1 1768210967 OSLQLWKSDAVGKX-QGZVFWFLSA-N 449.621 2.103 10 10 IECE CCCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@H](C)C1)=C(N)O2 1865029421 MQTVQNGUZYNMTR-JCGVRSQUSA-N 442.516 2.114 10 10 IECE CC(C)CN1C(=O)C(=Cc2c(N3CCN(C)CC3)nc3ccccn3c2=O)SC1=S 2053493194 CCUDJDDXJYBREZ-UHFFFAOYSA-N 443.598 2.304 10 10 IECE CC(C)C[C@]1(C(=O)O)N[C@@H](c2ccc(O)cc2O)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 4126371 OEIHHDMEOYINQS-XHOYROJHSA-N 438.480 2.413 10 10 IECE CCOc1ccc(N2CN=c3sc(=C4C(=O)Nc5c(C)cc(C)cc54)c(=O)n3C2)cc1 254632475 LAEOSNZHOZPBJG-UHFFFAOYSA-N 434.521 2.131 10 10 IECE CNS(=O)(=O)c1ccccc1N1CCN(Cc2cc(Cl)cc(C(C)=O)c2O)CC1 750043670 LNBHBBCFFLWFMJ-UHFFFAOYSA-N 437.949 2.479 10 10 IECE COCCCN(C(=O)/C=C\c1cncc(C)c1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 772019983 WUDCVFOWIMKVCF-KTKRTIGZSA-N 449.511 2.366 10 10 IECE CS(=O)(=O)NC1(CNC(=O)NCc2cc(Br)ccc2O)CCCCC1 806362714 PHYCLKHBJFGQQH-UHFFFAOYSA-N 434.356 2.206 10 10 IECE CC1(c2nnc(-c3cccc(F)c3)o2)CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 1167521102 JWFZBGBQZIQWIV-UHFFFAOYSA-N 446.460 2.367 10 10 IECE Cc1cc(N(C)C)ccc1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CC(=O)NC(C)(C)C 1289424011 QRAJHAHLGAKBSW-GOSISDBHSA-N 441.580 2.003 10 10 IECE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCN(c2nccn3cnnc23)[C@@H](C)C1 1312883151 BTRGSKWKQMBFIP-ROUUACIJSA-N 436.564 2.350 10 10 IECE CN(Cc1ccccc1O)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1ccco1 1314753557 RMXOKCFSHFBXRM-HRAATJIYSA-N 446.529 2.023 10 10 IECE CN(C)c1ccc([C@@H](CNC(=O)NCc2ccc(CN3CC[C@H](O)C3)cc2)N(C)C)cc1 1479535228 SOARIJQJWVDDIL-BJKOFHAPSA-N 439.604 2.421 10 10 IECE CCC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)Cc2ccccc2O)CC1 1513618260 VNMQZBGNQMUMSW-GOSISDBHSA-N 449.577 2.143 10 10 IECE COc1ccc(N2CCCN(c3nnc(CC(C)C)n3CCCn3cnnn3)CC2)cc1 1518306799 APQVOMQNHHKINK-UHFFFAOYSA-N 439.568 2.279 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N[C@H](C(C)C)[C@@H](CO)C(C)C)CC2)cc1 1628154904 GSROZUZBUWZAME-XDWBMCMWSA-N 431.577 2.305 10 10 IECE CC(=O)N/C(=C\C1=S=CC=C1)C(=O)Nc1ccc(C(=O)N2CCSCC2)cc1C 1631851609 SKWOMRVSBWPWBT-UYRXBGFRSA-N 429.567 2.420 10 10 IECE C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CNS(=O)(=O)c1cnn(C)c1 1637244277 ZSOJVNRIKFMJRS-INIZCTEOSA-N 428.514 2.194 10 10 IECE CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N[C@H](C)c2ccccc2O)o1 1648889759 KPXAQBOFRDBKSU-HIFRSBDPSA-N 436.486 2.192 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CCN(c4ccncc4)C[C@H]3C)CC2)cc1 1652167537 SMQLONROXJOCRG-WHXUGTBJSA-N 449.555 2.032 10 10 IECE C[C@H]1CN(c2ccc(CNC(=O)CN3CCO[C@@]4(CCSC4)C3)cc2F)C[C@@H](C)O1 1653985024 WIPUGDGORBUXOL-JKSBSHDWSA-N 437.581 2.263 10 10 IECE CN(C)c1ccc(CNC(=O)CN2CCn3c(Cc4cccc(F)c4F)nnc3C2)cc1 1654396179 TYWDTPAHYXTEAD-UHFFFAOYSA-N 440.498 2.345 10 10 IECE CCOCc1nnc(N2CC[C@H]3CCNC(=O)[C@H]3C2)n1CCCSc1nccs1 1729091645 FOCNJNYTQMDMQH-CABCVRRESA-N 436.607 2.416 10 10 IECE CN(C)c1ccc(Cn2c(-c3cccn3C)nnc2N2CC[C@@](C)(C(N)=O)C2)cc1F 1747572108 FSWBPFVBMGEWAO-JOCHJYFZSA-N 425.512 2.239 10 10 IECE CN(CCn1cccn1)c1nnc([C@H]2CCC(=O)N2)n1CCCSc1nccs1 1747968368 RXFZCAOKEVHKLH-CQSZACIVSA-N 432.579 2.201 10 10 IECE COCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1749670840 MQYPFFXCZUDKSI-FQEVSTJZSA-N 442.564 2.381 10 10 IECE CCCCN1C(=O)NC(=O)C(=CNc2cccc(-c3nn4c(C)nnc4s3)c2)C1=O 2296571299 YUFUYVXVFOSOJM-UHFFFAOYSA-N 425.474 2.336 10 10 IECE CN(C)c1ccc(CN(C[C@H](O)COc2ccccc2F)[C@@H]2CCS(=O)(=O)C2)cc1 40316381 LUUKVKQDOALRJB-UXHICEINSA-N 436.549 2.321 10 10 IECE O=C(CCN1C(=O)/C(=C/C=C\c2ccccc2)SC1=S)N[C@@H]1C=CS(=O)(=O)C1 229037975 FIRNPQVFRCHFBT-DOXBUCOTSA-N 434.564 2.261 10 10 IECE O=C1/C(=C\c2ccc(N3CCOCC3)c(F)c2)SC(=S)N1CCN1CCOCC1 727490809 YQDWWTSWEVIUCE-NBVRZTHBSA-N 437.562 2.196 10 10 IECE COc1ccc(N2CCN(CCNC(=O)C[C@@H](NC(C)=O)c3cccs3)CC2)cc1 742919646 BIQJLEPBJLTIPM-HXUWFJFHSA-N 430.574 2.262 10 10 IECE O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N[C@@H]1CCCN(c2cccnc2)C1=O 753106408 CPEYHONOOLAJPA-HXUWFJFHSA-N 441.507 2.177 10 10 IECE COc1ccc([C@@H]2NC(=O)N(Cc3ccc(N4CCOCC4)c(F)c3)C2=O)c(OC)c1 761088156 AIMXKQQQIKTMLG-FQEVSTJZSA-N 429.448 2.473 10 10 IECE O=C(NCc1ccc(N2CCN(CC3CC3)CC2)cc1)N1CCN(c2ncccn2)CC1 769032427 CMJFWEJSLFRRTK-UHFFFAOYSA-N 435.576 2.040 10 10 IECE Cn1cc([C@@H](NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C(F)(F)F)cn1 772773344 HLLAMWXGDPWABU-WMLDXEAASA-N 438.454 2.225 10 10 IECE CCn1c(=O)c(C(=O)CN[C@@H](C)c2ccc(N(C)C)cc2)c(N)n(Cc2ccccc2)c1=O 775838299 WWZIRNKPQROCSJ-KRWDZBQOSA-N 449.555 2.260 10 10 IECE COc1ccc(N2CCN(c3nnc(-c4cnn(C)c4)n3C[C@H]3CCCO3)CC2)cc1F 802684889 UPLLREOVMDPJNS-GOSISDBHSA-N 441.511 2.332 10 10 IECE CC(C)N1CCc2c(c3ccccc3n2CC(=O)NS(=O)(=O)C[C@@H]2CCCOC2)C1 803012677 LHJFAFXCWXRJIS-QGZVFWFLSA-N 433.574 2.280 10 10 IECE CCN1CCN(c2ccc(CNC(=O)C3CCC(N4CCOCC4)CC3)cc2F)CC1 1136687522 TYFOIVISEXIAIA-UHFFFAOYSA-N 432.584 2.475 10 10 IECE O=C(CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)NCCCn1cccnc1=O 1140122861 YTHGGUWFVBRMRF-SSZFMOIBSA-N 446.529 2.180 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N[C@H](CO)c3ccc(F)cc3F)CC2)cc1 1167611254 ORNNDXJTGBEAHX-MHNQQFQPSA-N 445.466 2.028 10 10 IECE COc1ccc(O)c([C@@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)OCc2ccccc2)c1 1182637675 XWROCNVCHLHJGL-KDOFPFPSSA-N 429.473 2.139 10 10 IECE COc1cc(N2CCN(C(=O)c3ccc4c(c3)N(C)C(=O)CO4)CC2)cc(OC)c1OC 1267905509 LBSILBPYPSQNOH-UHFFFAOYSA-N 441.484 2.030 10 10 IECE O=C(Cc1ccc(O)c(O)c1)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 1290668990 SMCKPNNNKWZWFE-UHFFFAOYSA-N 445.324 2.480 10 10 IECE CC[C@H]1C(=O)NCCN1c1nnc([C@H]2CCOC2)n1Cc1ccc(N(CC)CC)cc1 1293233862 WONJIQGODLHEOC-ICSRJNTNSA-N 426.565 2.391 10 10 IECE COc1ccc(N2CC[C@H](CNC(=O)c3c[nH]nc3I)C2)cc1 1299770939 WTMPEGWXCRIOJC-LLVKDONJSA-N 426.258 2.279 10 10 IECE CC[C@@H](C)c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1Cc1ccc(N2CCOCC2)cc1 1495256839 IEJNHZKCVXYWCE-MSOLQXFVSA-N 426.565 2.343 10 10 IECE COc1ccc(N2CCN(c3nnc([C@H]4CCCO4)n3CCOCCCO)CC2)cc1F 1504297673 ZIRBJXBGCGEOLZ-HXUWFJFHSA-N 449.527 2.003 10 10 IECE CC(C)CCN(C(=O)/C=C\c1cn(C)cn1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1529951816 VRKMNFLRBGPGLR-KTKRTIGZSA-N 436.516 2.405 10 10 IECE CN(Cc1ccc(N2CCCC2)cc1)C(=O)CN(C)C1=NS(=O)(=O)c2ccccc21 1540487179 PNGONLPSIICOTN-UHFFFAOYSA-N 426.542 2.326 10 10 IECE CCc1ccccc1C(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1585654435 XUECSXQDGWQPLO-UHFFFAOYSA-N 431.558 2.139 10 10 IECE COc1ccccc1NC(=O)[C@H]1CCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 1602800130 UEYAMZWOJBPDBO-AWEZNQCLSA-N 447.513 2.263 10 10 IECE CCN1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(N(C)C)c(F)c2)C[C@@H]1C 1615767918 KGGDYUSDRAOIPW-BXWFABGCSA-N 443.571 2.402 10 10 IECE COCCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)c1 1626719664 ZLVHFVNFTHBSCJ-KRWDZBQOSA-N 433.574 2.347 10 10 IECE CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C 1641140312 IZPACZXDXCAAEG-SJORKVTESA-N 441.347 2.398 10 10 IECE COC[C@H](NCC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)[C@@H]1CCCOC1 1655611029 SRHOHIVQYCXBHL-NEOGFGCTSA-N 437.556 2.087 10 10 IECE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)N3CC[C@H]4CCCC[C@H]4C3)cc2)CC1 1663365491 KFNXVBHLOIBJPM-RTWAWAEBSA-N 434.606 2.202 10 10 IECE COc1ccc(N2CCN(C(=O)[C@H]3CCN(S(=O)(=O)c4cccc(C)c4)C3)CC2)cc1 1858405271 GVHRMJNWHIIKMJ-IBGZPJMESA-N 443.569 2.363 10 10 IECE C[C@H](Oc1ccccc1C=C1SC(=S)N(NC(=O)c2ccncc2)C1=O)C(=O)O 2314932208 UFDUEPZEXQIUOL-NSHDSACASA-N 429.479 2.480 10 10 IECE COc1ccc(CCN2C(=O)NC(=O)/C(=C/Nc3ccc(C(=O)O)cc3)C2=O)cc1OC 17180981 GKNKFVYWEIKYKP-VBKFSLOCSA-N 439.424 2.019 10 10 IECE CC[C@H](C)N1C(=O)/C(=C\c2c(N3CCN(C)CC3)nc3ccccn3c2=O)SC1=S 102835799 TWWWQUIRLAUPKB-BXWAGETQSA-N 443.598 2.446 10 10 IECE CN(C)c1ccc([C@H](CNC(=O)CNC(=O)c2ccccn2)NC(=O)OC(C)(C)C)cc1 742749128 CYLLFBIKKXQORE-IBGZPJMESA-N 441.532 2.260 10 10 IECE COc1ccc(N2CCN(C[C@H](O)CN3CCO[C@@H](c4cccc(OC)c4)C3)CC2)cc1 754097562 IVEWWNRXOQDIJW-WIOPSUGQSA-N 441.572 2.260 10 10 IECE C[C@H](NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1cn(-c2ccccc2)nn1 755187491 SERIUZDNXNLKLQ-KRWDZBQOSA-N 438.507 2.210 10 10 IECE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2Cc1cc(Br)cc(OC)c1O 770374335 LUPWHHITIOTNJP-GBOPCIDUSA-N 428.279 2.088 10 10 IECE CCOC(=O)c1cnn2c(O)cc(CN[C@H]3CCN(C)[C@H]3c3ccc(F)c(F)c3)nc12 787691070 QERSTDTXCFVJIS-HKUYNNGSSA-N 431.443 2.425 10 10 IECE COc1ccccc1CN(CCO)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 918220314 ARHQIYWLOFHMGC-UHFFFAOYSA-N 431.508 2.500 10 10 IECE O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 1125335125 SNTQFXJYUAXOBL-UHFFFAOYSA-N 441.469 2.268 10 10 IECE CN1CCN(c2ccc(CNC(=O)N3CCN(CCCOC(C)(C)C)CC3)cc2)CC1 1254716899 WBEPRNLTYOSANA-UHFFFAOYSA-N 431.625 2.471 10 10 IECE CCc1nnc(N2CCN(c3ccc(C(N)=O)cn3)CC2)n1Cc1ccc(N(C)C)cc1C 1293103170 DDXNVKWUFDTHBH-UHFFFAOYSA-N 448.575 2.084 10 10 IECE NC(=O)C1CCN(c2ccc(CNC(=O)[C@H]3CSC(c4ccccc4O)=N3)cc2)CC1 1455865390 GOQAFXLSAZMVIM-LJQANCHMSA-N 438.553 2.272 10 10 IECE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN(C(=O)NCC(C)C)C3)CC2)c(OC)c1 1530968521 QKOXBFQQJMPDTM-GOSISDBHSA-N 432.565 2.430 10 10 IECE COc1ccc(C(=O)N2CCC[C@H]2C(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1 1536524216 NZZFICYXMNYLPJ-QHCPKHFHSA-N 436.556 2.368 10 10 IECE CC[C@H](C)c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1Cc1ccc(N2CCOCC2)c(F)c1 1613198347 ULOHIYOQJFAXFG-IRXDYDNUSA-N 444.555 2.483 10 10 IECE COc1ccc(C(=O)NCc2c(O)cccc2O)cc1S(=O)(=O)Cc1cc(C)no1 1635843368 OLGRNRLSWMHREM-UHFFFAOYSA-N 432.454 2.307 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NC(C)(C)C(=O)OC(C)(C)C)CC2)cc1 1648683077 VSWNTVZGQWSFCW-VAWYXSNFSA-N 431.533 2.137 10 10 IECE C[C@H]1CCCN(c2ccc(CNC(=O)N3CCS(=O)(=O)C[C@@H]3CCO)cc2Cl)C1 1672137470 SKURILKUWHHPAC-RDJZCZTQSA-N 443.997 2.267 10 10 IECE CN1CCN(c2ccc(CNC(=O)N3CC(Oc4ccc([N+](=O)[O-])cc4)C3)cc2)CC1 1675581086 ZYYRGFVSGDXLIQ-UHFFFAOYSA-N 425.489 2.319 10 10 IECE CC(C)NC(=O)c1nnc(N(C)Cc2ccccc2O)n1CCCN1C[C@H](C)O[C@@H](C)C1 1750915192 PNLYLGMFPQBCFU-ROUUACIJSA-N 444.580 2.258 10 10 IECE CC[C@@H](C)c1nnc(N2CCNC(=O)[C@H]2CC)n1Cc1ccc(N2CCOCC2)cc1 1763793206 GSWXUGJGGVENAZ-YLJYHZDGSA-N 426.565 2.391 10 10 IECE CCc1nnc(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)n1CCCSc1nccs1 1764808603 OERDHXRGASUUBL-HNNXBMFYSA-N 449.606 2.246 10 10 IECE CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC)=C(N)O2 1864013638 DXIBEPXAPJDCBR-QGZVFWFLSA-N 430.505 2.114 10 10 IECE C[C@H](NC(=O)CCCCCN1C(=O)/C(=C/c2ccc(O)cc2O)SC1=S)C(=O)O 15045091 WVPJTWIITGTYLO-GPILYODUSA-N 438.527 2.449 10 10 IECE CCn1c(=O)c(N2CCC(C(=O)NCc3ccc(N(C)C)cc3)CC2)nc2cccnc21 33258980 RUZGXYNSHQUGRZ-UHFFFAOYSA-N 434.544 2.410 10 10 IECE COc1ccc(N2CCN(CCNC(=O)c3cccc(NC(=O)N(C)C)c3)CC2)cc1 739710541 CYHADRKLZGTSAS-UHFFFAOYSA-N 425.533 2.341 10 10 IECE CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CCSC[C@@H]2S(C)(=O)=O)C1 766820270 NSTZGAGSFYSLAA-NRFANRHFSA-N 435.615 2.354 10 10 IECE O=C(O)[C@@H]1CC=CC[C@H]1C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 920209207 DQPOSFOTNLZWLF-QZTJIDSGSA-N 439.491 2.226 10 10 IECE CC(C)(C)OC(=O)C1(C(=O)NCc2ccc3cccnc3c2O)CCS(=O)(=O)CC1 1142730631 BMELIDOICRSABW-UHFFFAOYSA-N 434.514 2.093 10 10 IECE COC(=O)[C@@H]1CC[C@H](C(=O)OC)N(C(=O)c2cccc(-n3c(C)cc(C=O)c3C)c2)C1 1166996211 MWXJDHKHDBZMBF-YLJYHZDGSA-N 426.469 2.473 10 10 IECE COc1cc(N2CCN(C(=O)NC[C@@H]3CC4(CCOCC4)CO3)CC2)cc(OC)c1OC 1254376820 RVFJWUMVEVWDHU-SFHVURJKSA-N 449.548 2.130 10 10 IECE CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCCc2nnc3c(=O)n(C)ccn23)cc1 1313301396 DJNZNRWOVMXQIM-UHFFFAOYSA-N 449.515 2.042 10 10 IECE CCN(CC)c1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@H](C)[C@@H](O)C2)cc1 1313680638 MZMCWJUJFPOLPJ-UXPWSPDFSA-N 426.565 2.331 10 10 IECE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 1463777402 KBPZUHGYOKRLKC-QHCPKHFHSA-N 433.549 2.244 10 10 IECE O=C(CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)N1CCC(OCCO)CC1 1466116248 NKWPTMKFLHUXPG-LGMDPLHJSA-N 438.546 2.417 10 10 IECE O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)N1CCOC[C@H]1C[C@@H]1CCOC1 1478786994 RHORFYJDLGKNCD-DOTOQJQBSA-N 425.476 2.138 10 10 IECE O=C(NCc1ccc(N2CCC(O)CC2)cc1)N1CCOC[C@@H]1C[C@H](O)c1ccco1 1565127549 WFCPAZPHQNZSLR-FPOVZHCZSA-N 429.517 2.275 10 10 IECE Cn1ccnc1C[C@@H]1CCCN(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)C1 1565363409 OTPUJEFHMZBBFW-IBGZPJMESA-N 438.576 2.286 10 10 IECE CCOC(=O)CN(Cc1ccccc1O)C(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1 1570514965 WKHOCBQQNFBHGY-UHFFFAOYSA-N 425.416 2.283 10 10 IECE CN(C)C(=O)N(C)[C@H]1CCN(CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C1 1620458706 OTCTZRSKBALZNL-INIZCTEOSA-N 434.496 2.088 10 10 IECE C[C@@H]1CC(=O)Nc2ccc(C(=O)Nc3cccc(N4CCS(=O)(=O)CC4)c3)cc2N1 1625536109 VRIKASURVYRPSU-CQSZACIVSA-N 428.514 2.316 10 10 IECE O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NCc1cc(O)nc(O)n1 1631050111 FIDOKSMIHFFKGF-WQLSENKSSA-N 436.540 2.247 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CCO[C@@](C)(C(F)(F)F)C3)CC2)cc1 1632449866 DNYZLDMLCSTVDB-AQKVLALTSA-N 441.450 2.080 10 10 IECE CCN(CC)c1ccc(CNC(=O)[C@H]2CN(C)C(=O)CN2C(=O)OC(C)(C)C)cc1F 1633263507 IUMKMZZBSSMAGE-GOSISDBHSA-N 436.528 2.366 10 10 IECE COc1ccc(N2CC[C@@H](CNC(=O)c3nccc4c(S(N)(=O)=O)cccc34)C2)cc1 1639683256 NCPGCJGHXODWEA-HNNXBMFYSA-N 440.525 2.147 10 10 IECE CN(C)c1ccc([C@@H](CNC(=O)C2=NO[C@H](CNC(=O)OC(C)(C)C)C2)N(C)C)cc1 1640232719 XAXNTVGQQZTLSX-PKOBYXMFSA-N 433.553 2.141 10 10 IECE CC(C)N(CC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)C[C@@H]1CCC(=O)N1 1646234169 MKMDMAAMIIESGD-SCTDSRPQSA-N 434.556 2.045 10 10 IECE Cn1cc(C(=O)CNC(=O)CCN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)cn1 1653022147 YSTXYMTYPSCOJT-LZYBPNLTSA-N 432.502 2.150 10 10 IECE COC(=O)[C@H](NC[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1)c1ccc(C)c(C)c1 1654668880 IHEHLGSOANKKAG-LADGPHEKSA-N 441.572 2.299 10 10 IECE CCCC(=O)N[C@H]1CCCN(c2nnc(C)n2Cc2ccc(N3CCOCC3)c(F)c2)C1 1745121349 IQXZYTYZVOTGNV-IBGZPJMESA-N 444.555 2.496 10 10 IECE CN(Cc1ccccc1O)c1nnc(C(=O)N2CCCC2)n1CC[S@@](=O)C(C)(C)C 1767112162 SJCMVONGWCLELG-SSEXGKCCSA-N 433.578 2.403 10 10 IECE CCCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC(C)C)=C(N)O2 1864010615 PCYYVHRJMFBNJZ-SFHVURJKSA-N 444.532 2.410 10 10 IECE CC[C@@](C)(NC(=O)c1ccc(Cl)nn1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869059327 XDOKLLDCGKLBNV-OAQYLSRUSA-N 431.924 2.386 10 10 IECE COc1ccc(N2CCN(C(=O)Cc3nonc3OCCOc3ccccc3)CC2)cc1 1872626131 LRHQSQWTNUPYSS-UHFFFAOYSA-N 438.484 2.427 10 10 IECE CC(C)(C)OC(=O)N1C[C@H](NCc2cc(Br)ccc2O)[C@@H](S(C)(=O)=O)C1 1877649230 WHUGMEDTBQVNRZ-ZFWWWQNUSA-N 449.367 2.277 10 10 IECE NC(=O)CC[C@@H](C(=O)O)N1C(=O)C(=Cc2ccccc2Br)SC1=S 2323813574 CDOWCZPFGVQDEU-JTQLQIEISA-N 429.317 2.369 10 10 IECE CCn1c(=O)c2ccnn2c2ccc(C(=O)NCc3ccc(N4CCN(C)CC4)cc3)cc21 65270833 FYNMFHIZUSPUCP-UHFFFAOYSA-N 444.539 2.351 10 10 IECE CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(CC(=O)NCc2ccc(N(C)C)cc2)C1 744411005 FUPXYJDKJYFHRT-KRWDZBQOSA-N 428.499 2.492 10 10 IECE COC(=O)/C=C/c1ccc(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)c([N+](=O)[O-])c1 771682398 DTJBHUKZJHPXEZ-HWKANZROSA-N 426.429 2.323 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NCCN(C)C3CCCCC3)CC2)cc1 778244441 PWZMJNSVAGWDAB-OUKQBFOZSA-N 428.577 2.281 10 10 IECE O=C(NCc1ccc(N2CCN(CC3CC3)CC2)cc1)N1CCCN(C(=O)C2CC2)CC1 780582540 FYTOCNCYFUHXRU-UHFFFAOYSA-N 439.604 2.373 10 10 IECE COc1ccc(N2CCC(NC(=O)c3cn(CCO)nc3C3CCOCC3)CC2)cc1 856621329 XEKCTTAHBKIMJS-UHFFFAOYSA-N 428.533 2.177 10 10 IECE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)NCC1([C@@H]2CCCCO2)CCC1 1252845624 ZTWBXHLFNVCZDC-FQEVSTJZSA-N 435.590 2.460 10 10 IECE CC(C)(C)OC(=O)[C@@]12COC[C@@H]1CN(C(=O)NCc1ccc(N3CCC(O)CC3)cc1)C2 1253511916 OUIPSYGHSOAAFV-UUOWRZLLSA-N 445.560 2.147 10 10 IECE CN1CCN(c2ccc(CNC(=O)N3C[C@H](c4ccccc4)[C@@](F)(CO)C3)cc2)CC1 1254716408 MIEJSQIFJNZNAZ-VWNXMTODSA-N 426.536 2.448 10 10 IECE CC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2CCCSc2nccs2)[C@H](C)C1 1286878460 WPURYVBNTRIMFQ-CQSZACIVSA-N 446.606 2.375 10 10 IECE CC(C)(C)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1CCCSc1nccs1 1287010551 LWIPEMOACVOETH-UHFFFAOYSA-N 444.652 2.296 10 10 IECE COc1ccc(N2CCN(C(=O)[C@H]3CCO[C@@H]3CNC(=O)OC(C)(C)C)CC2)cc1F 1445837747 AEMUIWABKQEDAJ-QFBILLFUSA-N 437.512 2.413 10 10 IECE COc1ccc(N2CC[C@H](CNC(=O)[C@]3(C)C[C@@H](O)CN3C(=O)OC(C)(C)C)C2)cc1 1452036533 ZAYJDTGBZQYSPQ-UQNRQAKVSA-N 433.549 2.398 10 10 IECE CS(C)(=O)=NS(=O)(=O)c1cccc(C(=O)Nc2cccc(N3CCOCC3)c2)c1 1537157631 SELHGNJENQESMT-UHFFFAOYSA-N 437.543 2.192 10 10 IECE CCOCc1nnc(N2CCN(c3ccc(OC)c(F)c3)CC2)n1CCn1ccnc1C 1548172768 CFMNIZJNPJJILD-UHFFFAOYSA-N 443.527 2.494 10 10 IECE 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COC(=O)[C@@]1(OC)CCN([C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C1 1196239141 XXKYXNKVFPFUEG-LFPIHBKWSA-N 436.464 2.053 10 10 IECE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)[C@H]3C[C@H]3c3cccc(F)c3)cc2)CC1 1211512835 OHCSMPFBDDKADK-VXKWHMMOSA-N 431.533 2.470 10 10 IECE CCc1nnc(N2CCC(NS(=O)(=O)CC)CC2)n1Cc1ccc(N(C)C)c(F)c1 1498980530 ITEJSXUSRQGARE-UHFFFAOYSA-N 438.573 2.002 10 10 IECE CCN1CCCN(c2nnc(-c3cnn(C)c3)n2CCCSc2nccs2)CC1=O 1515882194 HKZDJRRCWSRXFS-UHFFFAOYSA-N 446.606 2.376 10 10 IECE CCOCc1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1Cc1ccc(N2CCOCC2)c(F)c1 1516621151 FISGAEBJWZJDEN-UZLBHIALSA-N 433.528 2.046 10 10 IECE CC(C)CC(=O)N1CCCC[C@H]1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 1526260092 RWHFQPQGALKILZ-CTNGQTDRSA-N 428.577 2.432 10 10 IECE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NCc2cccc(O)c2O)cc1 1558159284 CVUUSPLZJUEYNJ-SFHVURJKSA-N 432.498 2.160 10 10 IECE CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)C1 1626090425 HKDZKHUHAVYQLE-FXAWDEMLSA-N 428.577 2.289 10 10 IECE 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CC[C@H]1C(=O)NCCN1c1nnc([C@H]2CCCOC2)n1Cc1ccc(N(C)C)cc1C 1513984040 RRUHZJLNRIOXQJ-ICSRJNTNSA-N 426.565 2.310 10 10 IECE COc1ccc(N2CC[C@H](CNC(=O)CN3C(=O)N[C@]4(CCCC[C@H]4C)C3=O)C2)cc1 1526246474 NHBNWQOOXJHUAK-QZMQVMSPSA-N 428.533 2.138 10 10 IECE CNC(=O)c1c(NC(=O)CCN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)n[nH]c1C 1534092666 YBSRTMARABCJLM-UKTHLTGXSA-N 447.517 2.447 10 10 IECE Cc1cc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)OC(C)(C)C)c(C)n1-c1ccccn1 1556996173 VJROQFKNRUBDET-KRWDZBQOSA-N 433.530 2.070 10 10 IECE COC(=O)[C@@]1(OC)CCN([C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C1 1560010238 PGNNHLPKCJIOCN-JBEBIEQOSA-N 436.464 2.053 10 10 IECE COc1ccc([C@H]2COCCN2C[C@H](O)CN2CCN(c3ccc(OC)cc3)CC2)cc1 1560095551 QODMWUBJDDJSMJ-RCZVLFRGSA-N 441.572 2.260 10 10 IECE CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 1586800172 NWDLCDOFWHLSSM-HXUWFJFHSA-N 435.565 2.441 10 10 IECE O=C(Cc1csc([C@@H]2CCS(=O)(=O)C2)n1)NCc1cccc(Br)c1O 1634724520 DBCBLRZHDZNSGH-LLVKDONJSA-N 445.360 2.372 10 10 IECE NS(=O)(=O)c1cc(C(=O)NCc2ccc3cccnc3c2O)sc1Br 1638573163 LOKMOFKPVIUIKZ-UHFFFAOYSA-N 442.316 2.342 10 10 IECE C[C@@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)C[C@]2(CCN(C(=O)OC(C)(C)C)C2)O1 1648217528 BIHIVYGOTDYTJT-KOSHJBKYSA-N 446.592 2.469 10 10 IECE COc1ccc(N2CC[C@H](NC(=O)N(C)[C@H](C)c3cccc(S(N)(=O)=O)c3)C2)cc1 1683945236 PSBAVKGCTLUNBL-WBVHZDCISA-N 432.546 2.324 10 10 IECE CNC(=O)CCCN(C)c1nnc(CC(C)C)n1Cc1ccc(N2CCOCC2)cc1 1748246095 PUOOHKMGBKKDLB-UHFFFAOYSA-N 428.581 2.324 10 10 IECE CCOCc1nnc(N2CCCN(c3ccc(OC)cc3)CC2)n1C[C@@]1(O)CCSC1 1766376892 IGDLTVONLYMSTF-QFIPXVFZSA-N 447.605 2.408 10 10 IECE COc1ccc(N2CCN(C(=O)c3nonc3OCC(=O)Nc3ccccc3)CC2)cc1 1872677627 GBLZYSINAYJQFO-UHFFFAOYSA-N 437.456 2.058 10 10 IECE COc1ccc(N2CCN(C(=O)CN3CCC(NC(=O)c4ccoc4C)CC3)CC2)cc1 727436457 APGYPZCBXAHKHM-UHFFFAOYSA-N 440.544 2.140 10 10 IECE O=C1C[C@@H]([C@H]2CCCCN2C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)CN1 769047368 FHCJEHHSRISLDH-FYYLOGMGSA-N 439.604 2.419 10 10 IECE CCN(CC)CC1CCN(C(=O)C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)CC1 803307803 NELPDWOSZFUDQZ-LJQANCHMSA-N 430.593 2.281 10 10 IECE Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3cnccn3)C2=O)c(C)n1-c1ccc2c(c1)OCO2 808040672 PSUZWFDOOBZTGA-HSZRJFAPSA-N 447.451 2.263 10 10 IECE COc1ccc(N2CCN(CCNC(=O)c3c[nH]c4cc(F)c(F)cc4c3=O)CC2)cc1 1142566118 YFXQXGSYYOAYFL-UHFFFAOYSA-N 442.466 2.367 10 10 IECE O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)N1CCC(N2CCCCC2=O)CC1 1470449681 XSUNJIUNERNFEE-UHFFFAOYSA-N 436.503 2.488 10 10 IECE CCO/C=C/[C@](O)(CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C(F)(F)F 1471546666 FARDIMRKVAOVAN-CYYVBXFOSA-N 432.487 2.498 10 10 IECE O=C(CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)NCc1nnnn1C1CC1 1533381059 RMUVJQYICZTXOD-ZROIWOOFSA-N 432.506 2.055 10 10 IECE NC(=O)C1CCN(c2ccc(CNC(=O)c3cc4c(cc3Cl)NC(=O)C4)cc2)CC1 1538138061 JZKNZUULZBOJAZ-UHFFFAOYSA-N 426.904 2.466 10 10 IECE CCOC(=O)c1cnc(C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)c(Cl)c1 1558928529 JXUQOTLVHNUZPP-UHFFFAOYSA-N 446.935 2.472 10 10 IECE CCC1CCC2(CC1)NC(=O)N(CC(=O)N[C@@H]1CCN(c3ccc(OC)cc3)C1)C2=O 1587115602 XJHZYHOELWSSDZ-WCCYLALTSA-N 428.533 2.281 10 10 IECE O=C(Cc1ccc(O)c(O)c1)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 1588004312 XBPDYSIFOVQLPH-UHFFFAOYSA-N 444.431 2.192 10 10 IECE CCO[C@]1(c2nnc(N(C)Cc3ccccc3O)n2CCCc2cnn(C)n2)CCOC1 1616155842 PMYBWIGDOZARPF-JOCHJYFZSA-N 441.536 2.034 10 10 IECE COC(=O)[C@H]1CCCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(N(C)C)cc2C)C1 1618849024 JOWYWFLVSGPZFW-SFHVURJKSA-N 442.564 2.228 10 10 IECE COc1ccc(N2CC[C@H](CNC(=O)NCc3ccnc(OCCN(C)C)c3)C2)cc1 1633809128 BRKLDOBCRLHOMC-LJQANCHMSA-N 427.549 2.356 10 10 IECE CCOC(=O)CN(Cc1ccccc1O)C(=O)CN1C(=O)N[C@]2(C[C@@H](C)C[C@@H](C)C2)C1=O 1639588013 OIWRKUXJYIAHDH-RSQQPWMTSA-N 445.516 2.031 10 10 IECE COc1cccc([C@@H](CNC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)OC)c1 1683734176 GKXZADXVMXWJOI-OAQYLSRUSA-N 447.557 2.117 10 10 IECE CC(C)Cc1nnc(N(C)Cc2ccc(N3CCOCC3)cc2)n1C[C@]1(O)CCO[C@H]1C 1692077641 VQMMEPDMUOCAEG-YADARESESA-N 443.592 2.490 10 10 IECE CN(C)c1ccc(Cn2c(C(=O)N3CCCC3)nnc2N(C)C[C@H]2CCOC2)cc1F 1696608569 YTEHKYZMZFRVSR-QGZVFWFLSA-N 430.528 2.240 10 10 IECE COCC[C@@](C)(O)Cn1c(C2CC2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1730636195 WWPOEHXBFYQTEP-JOCHJYFZSA-N 433.528 2.417 10 10 IECE CCO[C@@]1(c2nnc(N(C)Cc3ccccc3O)n2C[C@]2(OC)CCOC2)CCOC1 1765827195 CUCOMTSRDLSGEW-YADHBBJMSA-N 432.521 2.078 10 10 IECE O=C1Cc2cc(S(=O)(=O)Nc3nc(-c4ccc5c(c4)NC(=O)CO5)cs3)ccc2N1 11857965 ODYDHHAGVFYNCW-UHFFFAOYSA-N 442.478 2.436 10 10 IECE Cc1cc(Br)c(O)c(CN2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)c1 781896789 NXNACKGMZZGKSX-UHFFFAOYSA-N 440.363 2.433 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NC[C@](C)(O)C3CCCCC3)CC2)cc1 791066130 FLFDFPFCDWRYAB-BYUVYSIJSA-N 429.561 2.348 10 10 IECE CC(C)(C)OC(=O)CC1(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CCC1 1130782650 XVBBWSBQAHCQCW-UHFFFAOYSA-N 436.574 2.440 10 10 IECE O=C(CCn1sc2ccccc2c1=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1165915826 MGSDQCUOLPHMDQ-UHFFFAOYSA-N 445.566 2.004 10 10 IECE COC(=O)[C@]12CCC[C@H]1N(CC(=O)NCc1ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c1)CC2 1197582619 VNSOISPGGJQZDC-OBJYKIKGSA-N 447.551 2.473 10 10 IECE C[C@H]1CN(CCCn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2ccccc2O)C[C@@H](C)O1 1291291781 UVXQQODOXFNMBW-SCTDSRPQSA-N 442.564 2.071 10 10 IECE CN(Cc1ccccc1O)c1nnc(-c2cnccn2)n1CC1(S(C)(=O)=O)CCC1 1298363635 JCEGPDWEGBNFBJ-UHFFFAOYSA-N 428.518 2.044 10 10 IECE COCCN1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(N(C)C)c(F)c2)CC1 1301931298 QJDSELVKTPLHMY-HXUWFJFHSA-N 432.544 2.151 10 10 IECE CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(N(C)C)cc2C)C[C@H]1C 1313942253 OWRFOURONXZWDK-YLJYHZDGSA-N 425.581 2.182 10 10 IECE NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C3(n4cc(Br)cn4)CC3)cc2)C1 1355489404 NZIVPTCYVPYMFQ-HNNXBMFYSA-N 446.349 2.153 10 10 IECE COc1ccc(N2CCN(C(=O)[C@@H]3CCO[C@@H]3CNC(=O)OC(C)(C)C)CC2)cc1F 1445837768 AEMUIWABKQEDAJ-VQIMIIECSA-N 437.512 2.413 10 10 IECE O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1ccc(S(=O)(=O)NC2CC2)cc1 1453983245 MLFKWGNJZPUOAB-UHFFFAOYSA-N 429.542 2.018 10 10 IECE 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O=C(NC[C@H]1CS(=O)(=O)c2ccccc2O1)N(Cc1ccccc1O)C[C@H]1CCCO1 1312900098 QZANSIYYGJZAKA-MSOLQXFVSA-N 446.525 2.318 10 10 IECE O=C(NCc1cccc(Br)c1O)NC[C@H]1CN(Cc2ccncc2)CCO1 1313105766 IZKCAAAGTOMVJH-INIZCTEOSA-N 435.322 2.250 10 10 IECE C[C@H]1CS(=O)(=O)CCCN1C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 1439572177 RBOANNFRGKSLSD-LBPRGKRZSA-N 442.449 2.019 10 10 IECE COc1ccc(CNC(=O)/C=C/C(=O)N2CCN(c3ccc(OC)cc3OC)CC2)cc1 1454473358 VJWCOZSUKWQOCD-ZHACJKMWSA-N 439.512 2.234 10 10 IECE CC(=O)N1CCN(C(=O)CCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)[C@H](C)C1 1457621074 BMUZLYZLUIXNRJ-GPLLRDDGSA-N 435.546 2.496 10 10 IECE COC[C@]1(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)CCN(C(=O)OC(C)(C)C)C1 1536523870 MCDGDHNMFAQEBH-DEOSSOPVSA-N 446.592 2.328 10 10 IECE CO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCSc2nccs2)C1 1555782927 DIZQGEQSGIDZNU-KBPBESRZSA-N 443.620 2.044 10 10 IECE COC1(OC)CCN(C(=O)c2cc(C)n(-c3ccc(Br)cn3)c2C)C[C@@H]1O 1557156993 VBUCXILIFNUUIB-INIZCTEOSA-N 438.322 2.448 10 10 IECE COc1ccc(N(C)CCN(C)C(=O)[C@H](C)N2CCN(C(=O)OC(C)(C)C)CC2=O)cc1 1586648626 AARFOMAMQUNESB-KRWDZBQOSA-N 448.564 2.058 10 10 IECE CC(C)(C)OC(=O)C1=NO[C@H](C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)C1 1596315514 XGAXVECEGDAURL-NRFANRHFSA-N 442.560 2.321 10 10 IECE COC(=O)[C@@H](C[C@H]1CCCO1)NCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1620568876 SNQDFABXCJOPNF-FOIQADDNSA-N 436.464 2.101 10 10 IECE COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](CO)Cc3ccc(OC)c(O)c3)C2)cc1 1674328033 WKRWKDULZBCINL-ROUUACIJSA-N 429.517 2.139 10 10 IECE CC(C)[C@@H](CO)[C@H](NC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)C(C)C 1682582935 OJYUFUNAAIRLHE-WOJBJXKFSA-N 425.595 2.010 10 10 IECE COc1ccc(N2CCCN(c3nnc(C)n3CCCN3CCC(O)CC3)CC2)cc1 1711865346 RWXXPUDVMMDNJY-UHFFFAOYSA-N 428.581 2.159 10 10 IECE Cc1nc(Cc2nnc(N3CC[C@@H](C(N)=O)C3)n2Cc2ccc(N(C)C)c(F)c2)cs1 1762280526 UDZGWNROQLESEX-OAHLLOKOSA-N 443.552 2.199 10 10 IECE CC[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(c2ccc(OC)cc2)CC1)OC 1764247587 DKFPMBUKWWOLCG-ICSRJNTNSA-N 442.564 2.380 10 10 IECE CCOCc1nnc(N(C)C[C@H]2CCCO2)n1Cc1ccc(N2CCOCC2)c(F)c1 1766249178 AFSMSYWSJPETHD-GOSISDBHSA-N 433.528 2.454 10 10 IECE COC[C@H]1CN(c2nnc(C)n2Cc2ccc(N3CCC(CO)CC3)cc2)C[C@H](C)O1 1770939464 VQZYHONRGVDXFN-HTAPYJJXSA-N 429.565 2.084 10 10 IECE O=C(CCC(=O)Nc1nnc(C2CC2)o1)NCc1ccc(N2CCC(O)CC2)c(F)c1 749408020 ZBBOLMXPSIOINW-UHFFFAOYSA-N 431.468 2.082 10 10 IECE CCOCCN1CCN(C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)CC1 769036485 LWIYCRPHZIKGCT-UHFFFAOYSA-N 429.609 2.082 10 10 IECE CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)c1 772903927 FUDHUXQGYBHMPE-CYBMUJFWSA-N 445.419 2.471 10 10 IECE COC(=O)NCCc1ccc(S(=O)(=O)N2CCOc3cc(N(C)C)ccc32)s1 788057293 JOVRGELYZYYXNS-UHFFFAOYSA-N 425.532 2.300 10 10 IECE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C1=NO[C@@H](CNC(=O)OC(C)(C)C)C1 788629827 FVZGXONHVISKGF-GOSISDBHSA-N 432.521 2.151 10 10 IECE COCCNC(=O)[C@H](C)OC(=O)c1ccc(NC(=O)N(C)Cc2ccccc2O)cc1 806747528 COSAGZHJFBHLQS-HNNXBMFYSA-N 429.473 2.364 10 10 IECE CC(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)NCc2ccc(N(C)C)cc2)cc1 1135825124 GJGPJQDXQAOBPJ-IFMALSPDSA-N 445.585 2.316 10 10 IECE O=C(/C=C/c1cncc(F)c1)N1CCc2cc(S(=O)(=O)Nc3ncccn3)ccc21 1154521663 BSJZZLCXIAABIQ-GORDUTHDSA-N 425.445 2.414 10 10 IECE Cc1cc(N(C)C)ccc1Cn1c([C@H]2CCCOC2)nnc1N1CC(=O)N(C)C[C@@H]1C 1289423590 MENKMJLBVYUYRQ-HKUYNNGSSA-N 426.565 2.262 10 10 IECE CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1F 1290374510 MCPDBUCYRBZLKU-HXUWFJFHSA-N 426.492 2.058 10 10 IECE C[C@@H]1C(=O)N(C)CCN1c1nnc(C(C)(C)C)n1Cc1ccc(N2CCOCC2)cc1 1290977204 XZLSMOUGOZSWFC-QGZVFWFLSA-N 426.565 2.127 10 10 IECE CN(C)c1ccc([C@H](CNC(=O)c2cn3c(n2)COCC3)NC(=O)OC(C)(C)C)cc1 1293793985 VHFTVKSMKYRSHI-KRWDZBQOSA-N 429.521 2.475 10 10 IECE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3ccoc3C3CC3)CC2)cc1 1437455546 QXOVULSMCTXCKI-UHFFFAOYSA-N 433.530 2.047 10 10 IECE NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@H]3CSC(c4ccccc4O)=N3)cc2)C1 1441949008 UKISIJLSQHDVTJ-VQIMIIECSA-N 438.553 2.272 10 10 IECE CC(C)(C)c1cc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)nc2ncnn12 1444846970 LZGYBGWVZYYURG-UHFFFAOYSA-N 426.496 2.452 10 10 IECE CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cc(S(N)(=O)=O)c(Cl)o2)cc1 1464608670 XRCPYZAFXOIHTA-HNNXBMFYSA-N 441.937 2.468 10 10 IECE COc1ccc(N2CC[C@@H](NC(=O)NCCS(=O)(=O)CCc3ccccc3)C2)cc1 1478518334 JINFWOSODOOFMZ-LJQANCHMSA-N 431.558 2.231 10 10 IECE CN(Cc1ccccc1O)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(C)COCCO1 1517142445 KYVWTWHDAVCZOJ-JOCHJYFZSA-N 438.488 2.073 10 10 IECE O=C(CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)NCC(=O)NCc1ccco1 1534129933 TVGQHKDCDIYFSG-MHWRWJLKSA-N 447.513 2.443 10 10 IECE COc1ccc(N2CCN(CCNC(=O)c3cc4c(cc3Cl)NC(=O)CO4)CC2)cc1 1544315208 NEQSJKGYBYUYAB-UHFFFAOYSA-N 444.919 2.232 10 10 IECE CC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1)OC 1545984548 LLICJTHZKFEFDP-SJLPKXTDSA-N 446.527 2.129 10 10 IECE COc1ccc(N2CCN(CCNC(=O)c3nn(C(C)C)c4c3COCC4)CC2)cc1 1548338574 HMLGVUFAIMLKOI-UHFFFAOYSA-N 427.549 2.097 10 10 IECE CN(Cc1ccccc1O)c1nnc(CC2CCCC2)n1CC1(O)CCS(=O)(=O)CC1 1554175582 PCUKKZDTNLZMCF-UHFFFAOYSA-N 448.589 2.293 10 10 IECE C[C@H](CN1CCOCC1)NC(=O)CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S 1625627400 NGTNEVLDXGJHNK-RFRKOGIWSA-N 437.562 2.254 10 10 IECE CCOc1ccc(N2CCN(C(=O)c3cc(Cl)sc3S(N)(=O)=O)CC2)cc1 1630992289 KGABHKRFFUEDCE-UHFFFAOYSA-N 429.951 2.410 10 10 IECE CC(C)(C)OC(=O)COCCOCCNC(=O)NCc1cccc(Br)c1O 1676689619 WGNRARZHCDURMM-UHFFFAOYSA-N 447.326 2.329 10 10 IECE CNC(=O)CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)[C@H](C)CC(N)=O 1748270056 QYDRSNRHFRIDDQ-OAHLLOKOSA-N 437.548 2.189 10 10 IECE CC(C)(C)c1nnc(N2CCC[C@H](C(N)=O)C2)n1Cc1ccc(N2CCOCC2)cc1 1750447611 QNUXKKZCIGOPRS-SFHVURJKSA-N 426.565 2.162 10 10 IECE CC1CCN(S(=O)(=O)c2nn(C)cc2C(=O)NCc2ccc(N3CCCC3)cc2)CC1 49400635 UJJDIHIZMRRKIP-UHFFFAOYSA-N 445.589 2.371 10 10 IECE COc1ccc(N2CCN(CCNC(=O)N3CCCN(c4nccs4)CC3)CC2)cc1 743362441 CKDVRNVQOUPLBJ-UHFFFAOYSA-N 444.605 2.196 10 10 IECE C[C@H]1CN(c2ccc(CNC(=O)COC(=O)C(C)(C)c3cnn(C)c3)cc2F)C[C@H](C)O1 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442.564 2.381 10 10 IECE CCOCCN(C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(N2CCOCC2)cc1 1772885915 CZOHRVBBAIGFOW-UHFFFAOYSA-N 425.537 2.036 10 10 IECE COCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1864006956 BIQPVLDHSFIELN-IBGZPJMESA-N 436.468 2.049 10 10 IECE CCCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC)=C(N)O2 1864014658 ZQCDJSWNSBUSLR-KRWDZBQOSA-N 430.505 2.114 10 10 IECE C[C@@H](C(=O)N[C@H]1C=CS(=O)(=O)C1)N1C(=O)C(=CC=Cc2ccccc2)SC1=S 2296576828 KWGTVODLZUDOMP-ZFWWWQNUSA-N 434.564 2.259 10 10 IECE COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccncc3)C2=O)ccc1OCC(=O)O 16915196 QXVUAZYCJZTDBS-OQLLNIDSSA-N 445.478 2.100 10 10 IECE N[C@@H](c1cc(I)cc(I)c1O)[C@@H](O)C1CC1 396834489 APGXWHCOJPYCTN-UWVGGRQHSA-N 445.038 2.372 10 10 IECE CCOC(=O)[C@H]1CCCN(C(=O)CN(C)c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])C1 726184848 YPOJHZPYQAGTCI-DZZUKKPASA-N 433.461 2.019 10 10 IECE COc1ccc(N2CCN(C(=O)c3ccc(-n4cc(Br)cn4)nn3)CC2)cc1 749310590 KVYCCEOPFRQUTM-UHFFFAOYSA-N 443.305 2.396 10 10 IECE 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COc1ccc(N2CC[C@H](NC(=O)N3CCN(C(=O)c4ccccc4OC)CC3)C2)cc1 1252924269 QATHQUNYVPABTI-SFHVURJKSA-N 438.528 2.450 10 10 IECE CN(C)c1ccc([C@@H](CNC(=O)c2c(Br)nc3n2CCOC3)N(C)C)cc1 1304767490 HRVBPPHLQRCMPF-OAHLLOKOSA-N 436.354 2.275 10 10 IECE COC(=O)c1cc(OC[C@H]2CC3(CN(C(=O)OC(C)(C)C)C3)C(=O)O2)ccc1N(C)C 1307388657 HCUAPNJZXFFVNA-OAHLLOKOSA-N 434.489 2.471 10 10 IECE CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2cnc3c(c2)c(O)nc(=O)n3C)cc1 1469613146 ODMULGJPVHYROI-UHFFFAOYSA-N 435.406 2.305 10 10 IECE COC[C@@H](F)Cn1c(-c2cnccn2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1518754865 ZAKFVXTXOSIKKC-KRWDZBQOSA-N 441.511 2.445 10 10 IECE Cc1cc(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)n(C2CCOCC2)n1 1537839125 JYFNWAZHYQPXQV-UHFFFAOYSA-N 425.533 2.175 10 10 IECE CCOc1ccc(N2CCN(C(=O)c3cc(I)nn3C)CC2)cc1 1596733182 MPGCZEIGHGBFAE-UHFFFAOYSA-N 440.285 2.386 10 10 IECE CS(=O)(=O)Nc1ccc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cn1 1631425754 NJNAVVDQFDFFOE-INIZCTEOSA-N 438.937 2.207 10 10 IECE Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)cc1 1635555497 KNWSVACDAXEHNK-JOCHJYFZSA-N 443.569 2.476 10 10 IECE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N[C@@H](CO)c1ccc(Cl)cc1 1636796390 GPCGCXLPLMMJPZ-IBGZPJMESA-N 437.949 2.108 10 10 IECE Cn1cc([C@]2(CNC(=O)NCc3ccc(N4CCC(CO)CC4)cc3)CCCO2)cn1 1638860648 LNMYBWZDYDJOOK-HSZRJFAPSA-N 427.549 2.134 10 10 IECE CS(=O)(=O)c1ccc(NCc2ccc(N3CCC(C(N)=O)CC3)cc2)c([N+](=O)[O-])c1 1640418355 KDGKTBVCLBSHKU-UHFFFAOYSA-N 432.502 2.312 10 10 IECE C[C@H](N[C@H](C)c1ccccc1O)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 1648053974 LFLBZJYNWUNAFF-CVEARBPZSA-N 433.530 2.091 10 10 IECE C[C@H]1CN(c2ccc(CNC(=O)CN3CCC4(CC3)C[C@H](O)CCO4)cc2F)C[C@@H](C)O1 1655677304 NOGBFKCCIJKHGD-WSTZPKSXSA-N 449.567 2.061 10 10 IECE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N1CC[C@@H](Oc2ccccc2)C1 1683734647 MWJBDOREFNABRO-OAQYLSRUSA-N 429.542 2.284 10 10 IECE CCc1nnc(N(CCS(C)(=O)=O)C2CC2)n1Cc1ccc(N2CCSCC2)cc1 1694655333 SRNVVPGJHJWXOI-UHFFFAOYSA-N 449.646 2.455 10 10 IECE CCN(CC)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1O 1710064286 PCCAUSAFWAFZSK-SFHVURJKSA-N 435.594 2.254 10 10 IECE CCN(CC)c1ccc(Cn2c(N(C)CCNS(C)(=O)=O)nnc2C(C)(C)C)cc1 1728383012 HXVFDJWTIRVNHE-UHFFFAOYSA-N 436.626 2.456 10 10 IECE COCCN1CCN(c2nnc(CC(C)C)n2Cc2ccc(N(C)C)cc2C)CC1=O 1769913397 QCVPOTXXNSCNRW-UHFFFAOYSA-N 428.581 2.194 10 10 IECE CCN(CC)c1ncc2c(n1)CC[C@@H](C(=O)NCc1ccc(N3CCN(C)CC3)cc1)C2 96310531 FGUOUDAFGDXHKU-HXUWFJFHSA-N 436.604 2.496 10 10 IECE CC(C)N(C[C@H](C)O)C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 758710246 RGRKJGJONLOLIP-KRWDZBQOSA-N 430.528 2.243 10 10 IECE CCn1nccc1CN(CCO)CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 796473073 BQUFTURVATXFOU-UHFFFAOYSA-N 432.480 2.111 10 10 IECE Cc1cc(N(C)C)ccc1CNC(=O)Cn1nc(Br)c(Br)n1 1293283231 PIZMLOAYQMLCLX-UHFFFAOYSA-N 431.132 2.494 10 10 IECE CCN(CCCn1c(-c2ccc[nH]2)nnc1N(C)Cc1ccccc1O)S(C)(=O)=O 1295811153 TWYFTQGHHXWADS-UHFFFAOYSA-N 432.550 2.287 10 10 IECE COCCN1CC[C@@H](NC(=O)CCN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)C1 1465214518 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10 10 IECE C[C@@H]1C[C@@H](C)N(CC(=O)NCCN2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)C1 1644681058 AAWNXFFDUDRGHD-QEHPPJGSSA-N 447.582 2.463 10 10 IECE CCO[C@H]1C[C@@H](O)C12CCN(C(=O)NCc1cc(F)c(N3CCOCC3)c(F)c1)CC2 1686724158 KKOHSZRRCNAMKW-MOPGFXCFSA-N 439.503 2.263 10 10 IECE CCN(C[C@@H]1CCCO1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N(C)C)c(F)c1 1710120207 UAXCKAIHNRRLJD-WMZOPIPTSA-N 430.528 2.488 10 10 IECE CCOCc1nnc(N(C)Cc2ccc(N3CCOCC3)cc2)n1Cc1cnn(C)c1 1747030696 ZXZIVJHWFJMPDE-UHFFFAOYSA-N 425.537 2.069 10 10 IECE CC(C)NC(=O)c1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CCC2(C1)OCCO2 1750915105 MXJMSNLDWQXCPK-INIZCTEOSA-N 429.521 2.302 10 10 IECE CO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCSc2nccs2)C1 1771324569 DIZQGEQSGIDZNU-UONOGXRCSA-N 443.620 2.044 10 10 IECE COc1ccc(N2CCN(CCNC(=O)N3CCC(c4nc(C)no4)CC3)CC2)cc1 747306212 BRIOSMADDJTZHY-UHFFFAOYSA-N 428.537 2.098 10 10 IECE COc1cc(N2CCN(C[C@H](O)COc3ccc4c(c3)OCO4)CC2)cc(OC)c1OC 759871993 FTHCWKRWOVZFOY-KRWDZBQOSA-N 446.500 2.003 10 10 IECE COc1ccc(N2CCN(CCNC(=O)Nc3ccnn3Cc3ccccn3)CC2)cc1 772430632 FEUSZNMQDMWDNH-UHFFFAOYSA-N 435.532 2.279 10 10 IECE CCC1(CC)CN(Cc2cc(C(C)=O)cc(CN3CCOCC3)c2O)CCS1(=O)=O 777579558 DMTRNXULAZJRQX-UHFFFAOYSA-N 438.590 2.216 10 10 IECE Cc1cc(C(=O)CN2CC[C@]3(CCCOC3)C2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 792938835 FIDKHEYEQYDSEG-JOCHJYFZSA-N 431.558 2.427 10 10 IECE CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H]1CCC[C@H]1CNS(C)(=O)=O 800747551 LKVBQODCJVFPTR-WFASDCNBSA-N 448.383 2.404 10 10 IECE O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@H]1CCCN1S(=O)(=O)c1ccccc1 917708525 HYUTYDRURMEZPB-OAQYLSRUSA-N 447.532 2.132 10 10 IECE CCN1CCN(c2ccc(CNC(=O)[C@@]3(C)Oc4ccccc4NC3=O)cc2F)CC1 1125908317 TYSPUZFOONPLKC-HSZRJFAPSA-N 426.492 2.374 10 10 IECE COc1ccc(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)cc1N1CCNC1=O 1129662464 ZUSXBNCEXFJENH-UHFFFAOYSA-N 446.454 2.270 10 10 IECE COc1ccc(N(C)CCN(C)C(=O)[C@H](Cc2cccc(OC)c2)n2nnnc2C)cc1 1130744756 HHTBMCFBZJKKIG-QFIPXVFZSA-N 438.532 2.377 10 10 IECE CCN1C(=O)CO[C@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)[C@H]1c1nccn1C 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2.386 10 10 IECE COc1ccc(N2CCN(C(=O)[C@@]3(C)CN(C(=O)OC(C)(C)C)CCO3)CC2)c(OC)c1 1530968186 LFJXSTQLFAVGJN-HSZRJFAPSA-N 449.548 2.378 10 10 IECE CCN(CC)c1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CCN(C(C)=O)CC2)cc1 1615379338 GKYUUHPNXZBAMY-UHFFFAOYSA-N 436.564 2.242 10 10 IECE Cc1nn(CC(=O)Nc2c(-c3ccccn3)nc3ccc(Br)cn23)c(=O)n1C 1616573603 WJZHSPNCSFYPFU-UHFFFAOYSA-N 442.277 2.001 10 10 IECE COC(=O)c1cn([C@@H]2CCN(C(=O)Cc3ccc(-n4c(C)cc(C=O)c4C)cc3)C2)nn1 1632403035 MYZQTBCAHKPHBA-HXUWFJFHSA-N 435.484 2.301 10 10 IECE Cc1cc(N2CCC[C@@H](NC(=O)NCc3cc(F)c(N4CCOCC4)c(F)c3)C2)n(C)n1 1682127926 OYFYHZFEJSERDN-QGZVFWFLSA-N 448.518 2.312 10 10 IECE NC(=O)C1CCN(c2ccc(CNC(=O)NC[C@H]3CCC4(CCOCC4)CO3)cc2)CC1 1684932151 MPCJPHQPQSILQG-OAQYLSRUSA-N 444.576 2.163 10 10 IECE CC(=O)NCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@H](C(N)=O)C1 1690968476 ZUIZLWHWWCSFJG-IBGZPJMESA-N 449.559 2.190 10 10 IECE CN(Cc1ccccc1O)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(C)CC1 1747750661 WEEHHVIFYVHNCG-GOSISDBHSA-N 449.577 2.143 10 10 IECE CN(CCC(F)F)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N2CCOCC2)cc1 1747883199 PPXAQPPLTZKBEF-UHFFFAOYSA-N 448.518 2.490 10 10 IECE Cc1cc(N(C)C)ccc1Cn1c([C@H]2CCOC2)nnc1N(CCS(C)(=O)=O)C1CC1 1761698770 WOTOSQFYWMKEIT-SFHVURJKSA-N 447.605 2.218 10 10 IECE COc1ccc(N2C=C(C(=O)N3CCOCC3)S(=O)(=O)c3ccccc32)cc1OC 65096246 XTRJHZPWGKXTDY-UHFFFAOYSA-N 430.482 2.329 10 10 IECE CC(=O)Oc1cccc(C(=O)NCC2CCN(C(=O)c3cc(O)c(O)c(O)c3)CC2)c1 219946202 FBZOINGLMCMXRP-UHFFFAOYSA-N 428.441 2.011 10 10 IECE CCCCN1C(=O)[C@H]2[C@H](C1=O)[C@](C(=O)O)(c1ccccc1)N[C@H]2c1cccc(OC)c1O 248271947 ZTJRKXQPVRRUDP-YDLHNXBPSA-N 438.480 2.427 10 10 IECE CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1 727753066 IQFIRRVSRNJGJN-WIYYLYMNSA-N 448.633 2.271 10 10 IECE CCN(CC)C(=O)C1CCN(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC1 746952927 RKPSYNVGNAVAKG-HXUWFJFHSA-N 443.592 2.178 10 10 IECE CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)N(Cc2ccco2)Cc2ccccc2O)C1=O 753017932 CHBRNTBIFCJRAC-AOMKIAJQSA-N 426.473 2.418 10 10 IECE COc1cc(N2CCN(S(=O)(=O)c3nc(C)c(C)s3)CC2)cc(OC)c1OC 759104473 WRLALTCODNFGNS-UHFFFAOYSA-N 427.548 2.297 10 10 IECE Cc1cc(N2CCN(C(=O)COC(=O)/C=C/c3ccc(O)c(O)c3)CC2)nc(C(C)C)n1 759588408 LGVGDLCVZGTSPD-FNORWQNLSA-N 440.500 2.225 10 10 IECE O=C(O)c1cc(O)ccc1NS(=O)(=O)c1cc2c(cc1Br)OCCO2 776433054 KUIIOUZGPHGBNE-UHFFFAOYSA-N 430.232 2.425 10 10 IECE CC[C@H]1CN(C(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)C[C@]2(CCOC2)O1 792794291 ZAELWRYVHXFNBF-URXFXBBRSA-N 446.592 2.187 10 10 IECE COc1ccc(N2CCC(NC(=O)C(=O)N3CC[C@@H](C)[C@@H](n4ccnc4)C3)CC2)cc1 804318916 FOEIENNLFHGYDK-UTKZUKDTSA-N 425.533 2.086 10 10 IECE CO[C@@H]1CC[C@H](NC(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)C1 1116734766 YYOXDGSBNDCMAD-ZWKOTPCHSA-N 428.512 2.309 10 10 IECE CN1C(=O)CS/C1=C/C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 1293793997 VKBXWGMNWSFTOP-YDDPGSGASA-N 434.562 2.481 10 10 IECE O=C(NCc1ccc(N2CCN(CC3CC3)CC2)cc1)NC[C@H](CO)CC1CCOCC1 1320823773 SCZLMICFEXNJFW-HSZRJFAPSA-N 444.620 2.443 10 10 IECE Cc1cc(N(C)C)ccc1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cnn(C)c1 1361095305 HTYJNFRXAVIWMD-UHFFFAOYSA-N 436.564 2.307 10 10 IECE COc1ccc(N2CCN(CCNC(=O)[C@H](Oc3ccccc3)C(C)(C)O)CC2)cc1 1442463834 ABQNAMHVXDATSO-QFIPXVFZSA-N 427.545 2.152 10 10 IECE COc1ccc(N(C)CCN(C)C(=O)[C@@H]2CCCN(CC(=O)OC(C)(C)C)C2=O)cc1 1461333380 CLGCIZXVYQEZAZ-IBGZPJMESA-N 433.549 2.170 10 10 IECE O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)N1CCn2c(nnc2C(F)(F)F)C1 1470448878 BZBHLJWCJKTZAI-UHFFFAOYSA-N 446.380 2.137 10 10 IECE Cc1ccc(-n2c(C)ccc2C)c(C(=O)N[C@@H]2CCS(=O)(=O)C3(CC(C(N)=O)C3)C2)c1 1472220816 IGFUCDJKNRGWDG-FRIYVGAWSA-N 443.569 2.344 10 10 IECE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1c(F)cccc1-n1cccn1 1531600865 YFMFEVXDEYFOGT-UHFFFAOYSA-N 428.489 2.176 10 10 IECE CCn1ncc(C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)c1Br 1542432127 SRJOVSWOMPVTSK-UHFFFAOYSA-N 436.354 2.226 10 10 IECE COc1ccc(N2CCN(c3nnc(CC(C)C)n3CC3(O)CCOCC3)CC2)cc1F 1554960690 NHOKDPQSGUWZEO-UHFFFAOYSA-N 447.555 2.492 10 10 IECE CC(=O)Nc1ccc(N2C[C@H](C(=O)NCc3ccc(N4CCN(C)CC4)cc3)CC2=O)cc1 1583475997 QBAFHTXECIGQGC-HXUWFJFHSA-N 449.555 2.066 10 10 IECE CCOC(=O)CN(Cc1ccccc1O)C(=O)Cn1cnc2c(oc3ccccc32)c1=O 1643244909 GHHXBSDZSBSSQS-UHFFFAOYSA-N 435.436 2.440 10 10 IECE CCOC(=O)c1cnn2c(O)cc(CN3CCC(NC(=O)c4ccc(C)cc4)CC3)nc12 1647924332 XEINEGFXRBAFCZ-UHFFFAOYSA-N 437.500 2.314 10 10 IECE Cc1cc(N(C)C)ccc1Cn1c(C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1707304896 JRRJCLMSDCHCMA-UHFFFAOYSA-N 433.564 2.249 10 10 IECE CC[C@H]1C(=O)NCCN1c1nnc([C@@H]2CCCOC2)n1Cc1ccc(N(C)C)c(F)c1 1709189320 MTWFPCOXZZACHZ-AEFFLSMTSA-N 430.528 2.140 10 10 IECE CCC(CC)NC(=O)c1nnc(N(C)Cc2ccccc2O)n1C[C@]1(OC)CCOC1 1727177133 PCADZCFBIDYYDJ-JOCHJYFZSA-N 431.537 2.344 10 10 IECE CO[C@@H]1CCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1O 1730363978 VETSHQHUCMMFMQ-ZIFCJYIRSA-N 434.562 2.337 10 10 IECE CCN(CC)C(=O)CN1CCCN(c2nnc(C)n2Cc2ccc(N(C)C)cc2C)CC1 1746045089 ULFOMDDJWJNHLL-UHFFFAOYSA-N 441.624 2.390 10 10 IECE Cc1csc2nc(Cl)c(/C=C3/SC(=S)N([C@H](CC(=O)O)C(=O)O)C3=O)n12 1858596454 UGLXWFPWEUAWOS-FAAZBOIZSA-N 431.904 2.487 10 10 IECE CCCn1nc(C)c2c1OC(N)=C(C(=O)NC[C@H]1CCCO1)[C@@H]2c1ccc(O)c(O)c1 1864009173 BLESLQLGTZZWSV-RDTXWAMCSA-N 428.489 2.003 10 10 IECE O=C(N[C@H](CS(=O)(=O)Nc1ccc(O)cc1Cl)C(=O)O)OCc1ccccc1 2258180799 FTTACCWSTAWPRD-OAHLLOKOSA-N 428.850 2.167 10 10 IECE CN(C)c1ccc([C@H]2N(C(=O)N3CCOCC3)CCN2S(=O)(=O)c2ccccc2)cc1 2497742 MXGACKIXFMEJIW-NRFANRHFSA-N 444.557 2.210 10 10 IECE CN(C)c1ccc(CNC(=O)CCc2nc(CS(=O)(=O)c3ccccc3)no2)cc1 33062719 ICTRQZJDLLTFHG-UHFFFAOYSA-N 428.514 2.359 10 10 IECE CCC1(CC)CN(C(=O)/C=C\C(=O)N2CCN(c3ccc(OC)cc3)CC2)CC[S@]1=O 769633098 TUSPWTVCXRAWBX-SCKSCLOGSA-N 447.601 2.050 10 10 IECE COc1ccc(N2CCN(CCNC(=O)c3cc(Br)c(O)nc3C)CC2)cc1 795774312 HAOSIBNTSZCDBT-UHFFFAOYSA-N 449.349 2.419 10 10 IECE COc1cc(NS(=O)(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)ccc1O 797820456 YKPDKRREXNZAMP-UHFFFAOYSA-N 426.516 2.376 10 10 IECE CC1=C(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)[C@@H](C)n2nnnc2N1C 1141901541 HRPOPHWLLXMLBA-VNHYZAJKSA-N 429.500 2.027 10 10 IECE O=C(CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)N1CC(N[C@H]2CCOC2)C1 1179008427 KMCODHRLAMUTCG-MBBOSUJBSA-N 435.546 2.006 10 10 IECE NC(=O)C1CCN(c2ccc(CNC(=O)N3CCC[C@H](N4CCCCC4=O)C3)cc2)CC1 1251103828 IHUWIYLGOATSIS-NRFANRHFSA-N 441.576 2.075 10 10 IECE Cc1cc(N(C)C)ccc1Cn1c([C@@H]2CCCOC2)nnc1N1CC(=O)N(C)C[C@@H]1C 1289423595 MENKMJLBVYUYRQ-PKOBYXMFSA-N 426.565 2.262 10 10 IECE NS(=O)(=O)c1cc(C(=O)NCc2cccc(Cl)c2O)sc1Br 1305069826 QQOQQHLVQLBHNH-UHFFFAOYSA-N 425.713 2.447 10 10 IECE CC(C)O[C@]1(c2nnc(N(C)Cc3ccccc3O)n2CC[C@@H]2COCCO2)CCOC1 1360323951 JSLPEHCWQQZANJ-AUSIDOKSSA-N 446.548 2.466 10 10 IECE Cc1cc(C(=O)N2CCC[C@@H](S(N)(=O)=O)C2)c(C)n1-c1ccc(Br)cn1 1446243755 LEKDXFYZHASLAF-CQSZACIVSA-N 441.351 2.145 10 10 IECE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1([S@@](C)=O)CCN(C(=O)OC(C)(C)C)CC1 1466790742 KYHQZCSSXIZHOW-ILHIWHGASA-N 440.562 2.293 10 10 IECE COc1ccc(N2CCN(c3nnc(-c4ccc[nH]4)n3CC(=O)NC(C)C)CC2)cc1F 1554960655 MTPSTJJRXBGYRQ-UHFFFAOYSA-N 441.511 2.272 10 10 IECE COCCn1c(C)c(C)c2cc(C(=O)NCC3(N4CCOCC4)CCN(C)CC3)ccc21 1583858456 UHOZOKMCKZYHQJ-UHFFFAOYSA-N 442.604 2.431 10 10 IECE COC(=O)CSCCNC(=O)CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S 1585342332 LHSCTHMVTLHCER-GXDHUFHOSA-N 442.559 2.439 10 10 IECE NS(=O)(=O)c1ccc(O)c(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 1587151743 YMSCIJLAIGHSRG-GFCCVEGCSA-N 441.456 2.040 10 10 IECE COc1ccc(N2CCN(C(=O)C3(C4(O)CN(C(=O)OC(C)(C)C)C4)CCC3)CC2)cc1 1635783890 GHUFIHAYPBLUAU-UHFFFAOYSA-N 445.560 2.496 10 10 IECE COc1cc(N2CCO[C@@H](CN3C(=O)c4ccccc4C3=O)C2)c([N+](=O)[O-])cc1OC 1639667264 QYZXFMPPFGNVJI-CYBMUJFWSA-N 427.413 2.113 10 10 IECE COc1ccc(N2CC[C@H](CNC(=O)N[C@H]3CCCN(CC(F)(F)F)C3=O)C2)cc1 1680556838 ZFENTKYWTKSKQB-PBHICJAKSA-N 428.455 2.374 10 10 IECE CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCSc2nccs2)C[C@@H]1C 1710280997 QORUZZRGOHWDCH-LSDHHAIUSA-N 435.623 2.399 10 10 IECE CN(Cc1ccccc1O)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCCC1 1729420241 KODXHUOVGBKLAS-IBGZPJMESA-N 449.577 2.143 10 10 IECE NC(=O)C[C@H]1CCCN(c2nnc(-c3cnccn3)n2CCCSc2nccs2)C1 1771547108 JFJAHLLMJADZTL-CQSZACIVSA-N 444.590 2.466 10 10 IECE C[C@H](NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1nnc2n1CCCCC2 729226188 ZBTCTMWBGGGHKX-FUHWJXTLSA-N 439.564 2.267 10 10 IECE NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3nn(-c4ccccc4F)cc3O)cc2)C1 729525246 JFGOXDNDODJAPW-MRXNPFEDSA-N 437.475 2.349 10 10 IECE NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N[C@@H]3CCCN(c4ccccc4)C3=O)cc2)C1 734065498 CCHBYYWITJSJIW-SIKLNZKXSA-N 449.555 2.383 10 10 IECE CCCC[C@@H](NC(=O)NCC)C(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 759403825 GVTLPSNFMKDMIO-QGZVFWFLSA-N 436.553 2.239 10 10 IECE CCN1CCN(c2ccc(CNC(=O)N3CCCC[C@@H]3[C@@H]3CNC(=O)C3)cc2F)CC1 764403708 OYVBAWAPKUIKJO-AZUAARDMSA-N 431.556 2.168 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CCOC[C@@H]3c3ccco3)CC2)cc1 778283179 BJVCJRDVMWKWOP-ZTBDEIDFSA-N 425.485 2.093 10 10 IECE CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)NCc2cccc(Br)c2O)=NO1 799001109 CIFHVOSKRLQLPO-NSHDSACASA-N 428.283 2.441 10 10 IECE CCN1CCN(c2ccc(CNC(=O)[C@@H]3CCN(C)C[C@@H]3c3cnn(C)c3)cc2F)CC1 849522635 MXKKODHFNRNXFW-NHCUHLMSSA-N 442.583 2.053 10 10 IECE COc1ccc(N(C)CCN(C)C(=O)c2ccc3c(c2)S(=O)(=O)N(C(C)C)C3=O)cc1 1130745426 WBBSVCCUASMXAL-UHFFFAOYSA-N 445.541 2.457 10 10 IECE COC(=O)[C@@H]1CC[C@@H](C(=O)OC)CN1C(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1 1166996210 MWXJDHKHDBZMBF-XLIONFOSSA-N 426.469 2.473 10 10 IECE CC(C)N1CCN(C2CCN(C(=O)NCc3ccc(N4CCN(C)CC4)cc3)CC2)CC1 1254716410 MLIOCQVKDBFFLW-UHFFFAOYSA-N 442.652 2.138 10 10 IECE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc[nH]2)n1Cc1ccc(N(C)C)c(F)c1 1360619635 XZASMGNGJQNIJY-AWEZNQCLSA-N 434.541 2.396 10 10 IECE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Cn1nc(C(F)(F)F)c2c1CCOC2 1440674102 KTURDLWDGKJJPV-UHFFFAOYSA-N 438.450 2.470 10 10 IECE CNC(=O)[C@H]1CCCN(C(=O)CCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)C1 1465065909 ZZUQQXKKTHHLPT-HNDQUVLASA-N 435.546 2.402 10 10 IECE COc1ccc(C(=O)N2CCC[C@@H]2C(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1 1536524213 NZZFICYXMNYLPJ-HSZRJFAPSA-N 436.556 2.368 10 10 IECE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CC(c2cc(C)ccc2C)=NO1 1567306510 RFOVTFYSLMCYEW-GHTZIAJQSA-N 426.469 2.498 10 10 IECE CCc1nc(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)nn1-c1ccccc1 1616590845 XURRORROQWKVRG-UHFFFAOYSA-N 432.528 2.461 10 10 IECE CCOc1ccc(N2CCN(C(=O)C3=NN(c4ccc(F)cc4)C(=O)CC3=O)CC2)cc1 1632158133 RLEBXYPZZZTZSU-UHFFFAOYSA-N 438.459 2.235 10 10 IECE O=C(CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)N[C@H](CO)CCF 1639694563 IVMKTDAHCARSMY-BPLGCGBFSA-N 447.351 2.487 10 10 IECE CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)c1 1641649726 MHHWKOGBTPDJEB-CZUORRHYSA-N 430.404 2.428 10 10 IECE C[C@H](NC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12)c1ccccc1O 1642831377 YYXYIUJDGAPCCB-JSSFPYSZSA-N 438.546 2.240 10 10 IECE Cc1nc(Cc2nnc(N3CCN(C)C(=O)C3)n2Cc2ccc(N(C)C)cc2C)cs1 1693357861 QCDNAWHXFZNJOC-UHFFFAOYSA-N 439.589 2.335 10 10 IECE COc1ccc(N2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CCCSC)CC2)cc1F 1697471825 PUQXUWSFJONXCQ-KRWDZBQOSA-N 448.568 2.457 10 10 IECE CC[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1O)N1CCCC1 1708799196 ZXIDJIVUHLASGM-MOPGFXCFSA-N 447.605 2.397 10 10 IECE CCOCc1nnc(N2CC[C@@H](C(=O)OC)C2)n1Cc1ccc(N2CCSCC2)cc1 1747084492 AADNBOHZPZGYMJ-GOSISDBHSA-N 445.589 2.415 10 10 IECE Cc1nnc(N2CCC[C@H](S(C)(=O)=O)C2)n1Cc1ccc(N2CCSCC2)cc1 1751920855 HEERNAQIOVXLST-IBGZPJMESA-N 435.619 2.201 10 10 IECE CC[C@H](C)c1nnc(N2CCN(c3ccc(OC)c(F)c3)CC2)n1CCS(C)(=O)=O 1761877685 JRMXWTYUHDKWEO-HNNXBMFYSA-N 439.557 2.311 10 10 IECE CC[C@H](Oc1ccc(C=C2SC(=S)N(N3CCOCC3)C2=O)cc1OC)C(=O)O 2314931088 CACCCHIZNFHIGZ-ZDUSSCGKSA-N 438.527 2.386 10 10 IECE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N(C)Cc2ccc(N(C)C)cc2)C1 105271258 RPSAKNDXDZPUDA-SFHVURJKSA-N 434.562 2.417 10 10 IECE COc1ccc(N2CCN(CCNC(=O)[C@H]3CC(=O)N(c4ccccc4F)C3)CC2)cc1 742926816 BIRFRUPFJFYZJI-SFHVURJKSA-N 440.519 2.126 10 10 IECE CS(=O)(=O)Cc1cccc(CNC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1 749192562 FUFFKFHDDBFEIL-UHFFFAOYSA-N 445.585 2.439 10 10 IECE COc1ccccc1CS(=O)(=O)NC(=O)c1ccc(NC(=O)C2=S=CC=C2)c(C)c1 760364024 FNXDFKMZOUFJIZ-UHFFFAOYSA-N 444.534 2.480 10 10 IECE CN1CCN(C(=O)c2cnn3c2C[C@@H](CNCc2cc(Cl)c(F)cc2O)CC3)CC1 816591668 KWGLHPATMILVRX-AWEZNQCLSA-N 435.931 2.121 10 10 IECE O=C1/C(=C\c2ccc(F)cc2)SC(=S)N1CCC(=O)N1CCOC[C@]12CCOC2 1128342617 HTNPCBXUDULJPQ-MBNYPGIVSA-N 436.530 2.435 10 10 IECE COc1cc(N2CCN(C(=O)c3ccoc3C3(O)CCOCC3)CC2)cc(OC)c1OC 1138103735 HISHAZNAIXDZAN-UHFFFAOYSA-N 446.500 2.266 10 10 IECE C[C@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C(=O)NCCc1ccccc1 1251501181 NOQXSHCBIFLCFO-PGRDOPGGSA-N 425.577 2.402 10 10 IECE CN1CCN(c2nnc(Cc3cccnc3)n2CCCSc2nccs2)CC1=O 1314929384 XUFZJUVXQHOFBG-UHFFFAOYSA-N 429.575 2.181 10 10 IECE C[C@]1(NC(=O)CCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)CCS(=O)(=O)C1 1354481487 VQUKECRYCVMVAV-BLSFAOBESA-N 442.559 2.110 10 10 IECE CC(C)CN1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(N(C)C)c(F)c2)CC1=O 1360027558 ODEZLIIFPGKPPF-SFHVURJKSA-N 444.555 2.340 10 10 IECE CC1(C)CN(C(=O)CCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)C[C@@H](CO)O1 1469185221 ACYFNNNUTSXSDH-HVVQPJKBSA-N 438.546 2.415 10 10 IECE NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3nn4c(c3Br)CCC4)cc2)C1 1527735260 PCYORBQUXMYVDI-AWEZNQCLSA-N 446.349 2.224 10 10 IECE Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C 1539234977 JNJCXXYCRGFVIJ-FGZHOGPDSA-N 439.539 2.390 10 10 IECE COC(=O)[C@@H]1CCCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(N(C)C)c(F)c2)C1 1618856149 PHFXJYQSZQSNLU-SJORKVTESA-N 431.512 2.425 10 10 IECE COCCn1cc(N2C[C@H](C(=O)NCc3ccc(N4CCC(C)CC4)cc3)CC2=O)cn1 1633110838 JAJAZQXQXDALBA-HXUWFJFHSA-N 439.560 2.435 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C\C(=O)NCCc3cn4c(C)cccc4n3)CC2)cc1 1640604759 GBTJWBFUZFBCIQ-KHPPLWFESA-N 447.539 2.215 10 10 IECE CC(C)[C@@H](O)[C@@H](NC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccccc1 1687006835 PEWGTNPCTURJLX-FCHUYYIVSA-N 445.585 2.479 10 10 IECE Cc1cc(-c2nnc(N(C)[C@@H](C)CC(N)=O)n2Cc2cnnn2C)c(C)n1-c1ccccc1 1692989267 SMFVROSIOXKQQM-HNNXBMFYSA-N 447.547 2.230 10 10 IECE Cc1cc(N(C)C)ccc1Cn1c(C(C)C)nnc1N1CCCN(S(C)(=O)=O)CC1 1707304385 UHZWMISURYUUSN-UHFFFAOYSA-N 434.610 2.296 10 10 IECE COCC1=CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(N(C)C)c(F)c2)CC1 1712220754 ZYUKSFLHYRONEW-GOSISDBHSA-N 428.512 2.266 10 10 IECE C[C@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)N1C(=O)c2cccnc2C1=O 1866243492 MBNWUKIQEGNDRI-GFCCVEGCSA-N 425.400 2.480 10 10 IECE C=CCN1C(=O)/C(=C/c2c(N3CCOCC3)nc3c(C)cccn3c2=O)SC1=S 33499479 UFQJWSKLNMPZCP-QINSGFPZSA-N 428.539 2.227 10 10 IECE C[C@@H]1CN(c2nnc(Cc3cccnc3)n2Cc2ccc(N(C)C)c(F)c2)CC(=O)N1C 1305197038 RLRHRNDSIZOHMS-MRXNPFEDSA-N 437.523 2.184 10 10 IECE C[C@H]1CN(c2ccc(CNC(=O)c3ccsc3S(N)(=O)=O)cc2F)C[C@H](C)O1 1441792791 ZVMYCYWQTOZWDB-RYUDHWBXSA-N 427.523 2.078 10 10 IECE COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3CCCN(CCN4CCOCC4)C3)ccc21 1471538182 MZMHBIWBXIOBGF-JOCHJYFZSA-N 442.604 2.431 10 10 IECE COc1ccc(N2CCN(c3nnc(CC4CC4)n3CCC(=O)N(C)C)CC2)cc1F 1518309143 COPIVQVTFRNAEQ-UHFFFAOYSA-N 430.528 2.183 10 10 IECE Cc1nc(CS(C)(=O)=O)sc1CC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 1544214558 ANXZJUZFPVAWEV-CQSZACIVSA-N 437.587 2.253 10 10 IECE CCN(CC)c1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCC[C@H](C(N)=O)C2)cc1 1547447172 PYEXBLQTLBDZIG-RBUKOAKNSA-N 426.565 2.378 10 10 IECE COc1ccc(N2CCN(C[C@H](O)CN3C[C@@H](N4CCCC4)C[C@@H]3C(C)C)CC2)cc1 1560217730 NIBSQIFUYCYEEC-SONWIMMPSA-N 430.637 2.373 10 10 IECE CCS(=O)(=O)C1CN(C(=O)CCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)C1 1624061190 QGWVCVZQPVBHSX-DHDCSXOGSA-N 442.559 2.063 10 10 IECE CN1CCN(c2ccc(CNC(=O)[C@@H](c3cccc(F)c3)N3CCOCC3)cc2)CC1 1625144946 BIKDBLBYSRDZFS-HSZRJFAPSA-N 426.536 2.267 10 10 IECE NC(=O)C1CCN(c2ccc(CNC(=O)NCc3ncc(C(F)(F)F)cn3)cc2)CC1 1672916488 RFZBKAPVTHZNEL-UHFFFAOYSA-N 436.438 2.197 10 10 IECE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NC[C@@H]1CS(=O)(=O)c2ccccc21 1686567401 CGRQLZSVVSITHW-GOSISDBHSA-N 429.542 2.236 10 10 IECE 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CC[C@@]1(C2CC2)NC(=O)N(CC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)C1=O 758772695 BLXQVKPRWONMOW-AQKDONEWSA-N 446.523 2.166 10 10 IECE COc1ccc(N2CCN(CCNC(=O)N3CCCC[C@H]3c3ccnn3C)CC2)cc1 798394079 BNILXNPDTLJJSU-QFIPXVFZSA-N 426.565 2.488 10 10 IECE COC(=O)[C@]1(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C[C@@H]1c1ccccc1 1125324821 AASNONXYTZIGKP-PIBDYAPNSA-N 435.524 2.351 10 10 IECE CN1C(=O)C(C)(C)c2cc(C(=O)Nc3cccc(N4CCS(=O)(=O)CC4)c3)ccc21 1264776417 BPFBYFYIZDPEIL-UHFFFAOYSA-N 427.526 2.428 10 10 IECE CC(=O)Nc1ccc(Cn2c(-c3cnn(C)c3)nnc2N(C)Cc2ccccc2O)cn1 1286898830 XNDOPVDKJLAALZ-UHFFFAOYSA-N 432.488 2.422 10 10 IECE Cc1ccc(C(=O)N2CCS(=O)(=O)[C@H]3COCC[C@@H]32)cc1-n1c(C)cc(C=O)c1C 1299147973 DHHRYWJITRBRDQ-FPOVZHCZSA-N 430.526 2.243 10 10 IECE CC(C)[C@H](NC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)C1(CO)CCCC1 1470754687 STRDSAJVPVEAMW-FQEVSTJZSA-N 437.606 2.298 10 10 IECE CN(Cc1ccccc1O)c1nnc(-c2cnn(C)c2)n1CCN1CCOCC1(C)C 1517149038 RWXWMRTVFQRPFQ-UHFFFAOYSA-N 425.537 2.131 10 10 IECE 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CO[C@@H]1COCC[C@@H]1N(C)C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 1153444004 VJJYHLUURUFJGW-GOEBONIOSA-N 426.516 2.130 10 10 IECE COc1ccc(N2CCCN(C(=O)c3nn(C)cc3I)CC2)cc1 1264733373 YZLMUUIDQGYNIO-UHFFFAOYSA-N 440.285 2.386 10 10 IECE CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H](CC(N)=O)NC(=O)Cc1cccc(F)c1 1291849123 BPOJQEFHNHCLHP-NRFANRHFSA-N 442.535 2.232 10 10 IECE CCCNC(=O)CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCNC(=O)C1 1294840298 QNZOPLLDXUENRP-UHFFFAOYSA-N 449.559 2.205 10 10 IECE CC(C)c1ccc(S(=O)(=O)N2C[C@@H](O)C[C@@H]2C(=O)N2Cc3cccc(O)c3C2)cc1 1302786371 ILODBTYEODSFJW-FXAWDEMLSA-N 430.526 2.182 10 10 IECE COc1ccc(N2CC[C@@H](NC(=O)c3c(I)n[nH]c3C)C2)cc1 1453222400 WFKITTBNCUPDCF-LLVKDONJSA-N 426.258 2.340 10 10 IECE COc1ccc(N2CCN(C(=O)[C@H](CCN(C)C)NC(=O)OC(C)(C)C)CC2)cc1F 1465930193 JBMYRBSITJBCNJ-SFHVURJKSA-N 438.544 2.328 10 10 IECE C[C@@](O)(CNC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1)c1ccc(F)cc1F 1471370090 PVUUTISLJLSSDS-HSZRJFAPSA-N 446.498 2.373 10 10 IECE CC(C)OC(=O)C[C@@H](NC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)C(C)C 1478944962 LHWILPLZRBVYCR-LJQANCHMSA-N 439.578 2.087 10 10 IECE COCCN1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(N(C)C)cc2C)CC1=O 1519194257 SGICGTYKJUABBP-UHFFFAOYSA-N 428.581 2.293 10 10 IECE C[C@@H](NC(=O)c1nn(C)cc1I)c1ccc(N2CCOCC2)cc1 1526967298 FYTPMYNQVVUBOR-GFCCVEGCSA-N 440.285 2.352 10 10 IECE COc1ccc(N2CCN(C(=O)c3cc(C(=O)OC(C)(C)C)nn3C)CC2)c(OC)c1 1530967838 HJXCUZGERVSHFT-UHFFFAOYSA-N 430.505 2.355 10 10 IECE CCCCS(=O)(=O)N1CCC(C(=O)N(C)CCN(C)c2ccc(OC)cc2)CC1 1586649151 IEOKOZGMCMGLNQ-UHFFFAOYSA-N 425.595 2.432 10 10 IECE CC(=O)N1CC[C@@H](CN(C)c2nnc([C@H]3CCOC3)n2Cc2ccc(N(C)C)c(F)c2)C1 1595990457 FSQBGWZFNWRALP-OALUTQOASA-N 444.555 2.340 10 10 IECE O=C(CN1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1)NCc1ccccc1 1629187055 USOBJXNEGVBBIR-UHFFFAOYSA-N 425.510 2.387 10 10 IECE O=C(NCc1ccc(O)cc1O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 1643100666 GKUWWLSBVRXQOD-UHFFFAOYSA-N 426.441 2.093 10 10 IECE O=C(NCc1c(O)cccc1O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1O 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COc1ccc([C@H]2COCCN2C[C@@H](O)CN2CCN(c3ccc(OC)cc3)CC2)cc1 1560095553 QODMWUBJDDJSMJ-WIOPSUGQSA-N 441.572 2.260 10 10 IECE O=C(NC[C@H]1CN(Cc2ccncc2)CCO1)N(Cc1ccccc1O)C[C@H]1CCCO1 1565163890 QEHBVJBGMUIKAL-YADHBBJMSA-N 440.544 2.379 10 10 IECE CC(C)(C)OC(=O)N1CCO[C@](C)(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 1633793514 IHDLCAANMRMDFB-QHCPKHFHSA-N 433.549 2.290 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C\C(=O)NC[C@H]3CCC4(CCC4)CO3)CC2)cc1 1645461246 FRRRDPGKUZUAGZ-GIWCCYDRSA-N 427.545 2.366 10 10 IECE Cc1ccc(S(=O)(=O)NCCC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cc1C 1648478069 OVFMLTOZOIKEQA-QFIPXVFZSA-N 446.617 2.457 10 10 IECE CCOCCN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCSCC2)cc1 1696415872 RAUPDFIYJRMCAX-LJQANCHMSA-N 444.605 2.303 10 10 IECE COc1ccc(N2CCN(c3nnc(C(C)(C)C)n3C[C@@]3(O)CCOC3)CC2)cc1F 1730179626 AKYHFCQTURKVNP-QFIPXVFZSA-N 433.528 2.201 10 10 IECE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)C(C)C)CC2)cc1 1862299089 ZDHACJFMDLKGQE-JOCHJYFZSA-N 425.529 2.433 10 10 IECE CCCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccncc1)=C(N)O2 1864011892 ZVOHYRPFKKWCMJ-GOSISDBHSA-N 435.484 2.190 10 10 IECE COc1ccc(OC)c(N2C(=O)NC(=O)C(=Cc3ccc(OC)c([N+](=O)[O-])c3)C2=O)c1 2296048077 YLNBRXPCQVOYSM-UHFFFAOYSA-N 427.369 2.287 10 10 IECE COc1ccc(N2CCN(C(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]34)CC2)cc1F 753741121 CODHLOREBFQDKK-XKGZKEIXSA-N 436.553 2.209 10 10 IECE COc1ccc(N2CCN(CCCNC(=O)c3cc4c(cc3OC)OCO4)CC2)cc1 758852223 CSLZPAGMUJOSHC-UHFFFAOYSA-N 427.501 2.375 10 10 IECE COc1cc(N2CCN(C(=O)Cn3ccc(=O)c4ccccc43)CC2)cc(OC)c1OC 759222235 JFBOUIVBWLIJQT-UHFFFAOYSA-N 437.496 2.376 10 10 IECE Nc1c(C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)cnn1-c1ccccn1 815912123 ZZLSMEHWLMDZCE-UHFFFAOYSA-N 431.544 2.312 10 10 IECE COc1ccc(N2CCN(CCCNC(=O)c3ccc(CNC(C)=O)s3)CC2)cc1 921304671 QHLYXQUEWJXCAF-UHFFFAOYSA-N 430.574 2.335 10 10 IECE CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 1297229007 YASSIFLXWMUDQF-OAHLLOKOSA-N 427.505 2.151 10 10 IECE 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O=C(CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)N1CC[C@H](N2CC[C@H](O)C2)C1 1449065813 IDAFDFVJPULDJB-FBYAIYFHSA-N 449.573 2.085 10 10 IECE COc1cc(N2CCN(C(=O)[C@H]3CC(=O)Nc4ccccc43)CC2)cc(OC)c1OC 1458763373 OPUODUSXXIRKFD-KRWDZBQOSA-N 425.485 2.487 10 10 IECE CNC(=O)CN1CCC(NC(=O)c2cc(C)n(-c3ccc(Br)cn3)c2C)CC1 1540718911 MHLHBLWDIVUFNF-UHFFFAOYSA-N 448.365 2.192 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C\C(=O)NCc3ccc4cccnc4c3O)CC2)cc1 1557123555 QOTHPAJSLRSEGD-KHPPLWFESA-N 446.507 2.470 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N(C)C(C)(C)CN3CCCC3)CC2)cc1 1570500785 PBAOZCCRSMKESS-VAWYXSNFSA-N 428.577 2.233 10 10 IECE O=C(CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)NCCC[C@@H]1C=NNC1=O 1585938539 YPLCDCGYJSAVFD-QQFZQELXSA-N 434.518 2.045 10 10 IECE CC(=O)N1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(N(C)C)c(F)c2)CC1 1596207268 RKFKWECSSVXQKS-FQEVSTJZSA-N 430.528 2.442 10 10 IECE CCc1nnc(N(C)Cc2ccc(N3CCOCC3)cc2)n1C[C@@H]1CCOC[C@@H]1OC 1613921486 YNGRZEQXQOYCMM-FPOVZHCZSA-N 429.565 2.365 10 10 IECE CCN(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCC(CO)CC2)cc1 1615178900 ABEBRZHFCVOTOK-UHFFFAOYSA-N 426.565 2.114 10 10 IECE CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(S(=O)(=O)NC[C@@H](C)O)cc1 1630709170 AUGITLYGCBFLRN-QGZVFWFLSA-N 433.574 2.463 10 10 IECE COCCn1c(C)c(C)c2cc(C(=O)Nc3cnn(C[C@H](O)CN(C)OC)c3)ccc21 1631875857 QGTJJQIPROKOJC-LJQANCHMSA-N 429.521 2.207 10 10 IECE COc1ccc(N2CCN(c3nnc([C@H]4CCC(=O)N4)n3CCCSC)CC2)cc1F 1697471826 PUQXUWSFJONXCQ-QGZVFWFLSA-N 448.568 2.457 10 10 IECE Cc1cc(C)n(Cc2nnc(N(C)Cc3ccccc3O)n2CC2([S@@](C)=O)CC2)n1 1742683876 GLKQCOXPHVGEDM-SSEXGKCCSA-N 428.562 2.393 10 10 IECE COc1cccc(C=C2C(=O)NN(c3ccc(I)cc3)C2=O)c1O 2297708846 WXMXYEWFASGUQI-UHFFFAOYSA-N 436.205 2.467 10 10 IECE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NCc2ccc(N(C)C)c(F)c2)C1 746803159 MYPYOSUATHUTNU-INIZCTEOSA-N 438.525 2.214 10 10 IECE O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N1CC[C@](O)(C(F)(F)F)C1 748042124 ISPCIFGMLMGVRX-OAHLLOKOSA-N 436.433 2.394 10 10 IECE CCNC(=O)N1CC[C@@H](NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)C1 760869163 PAIYCPRQAQLGMT-OAHLLOKOSA-N 443.470 2.145 10 10 IECE COc1c(NC(=O)C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)cccc1C(N)=O 782774026 MBVGASZCMDTEBK-UHFFFAOYSA-N 434.496 2.499 10 10 IECE COCCN(CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)Cc1ccnn1C 786240541 QPULFXLCJKVTBO-UHFFFAOYSA-N 432.480 2.283 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C\C(=O)NC3CC(N4CCCCC4)C3)CC2)cc1 794207908 UROOSYPVWITOET-KTKRTIGZSA-N 426.561 2.033 10 10 IECE C[C@H]1CN(c2ccc(CNC(=O)N[C@H](C)C3(S(C)(=O)=O)CC3)cc2F)C[C@@H](C)O1 804969977 UIRHFWDUASUCEL-QLFBSQMISA-N 427.542 2.204 10 10 IECE CCc1ncnc(CC)c1C(=O)OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 815430911 CLQOMNMUFUZSRZ-UHFFFAOYSA-N 430.480 2.050 10 10 IECE Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N[C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)cc1 1148435386 MJNYSACFQGODBV-KSFYIVLOSA-N 433.512 2.493 10 10 IECE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2O)C12CCC2 1163829229 SESBHXHYYGWVAQ-HZPDHXFCSA-N 439.534 2.329 10 10 IECE COc1ccc2c(c1)c1c(n2CC(=O)NCC2CCN(S(C)(=O)=O)CC2)CCCC1 1358244770 YEVUEZXBXLUTRS-UHFFFAOYSA-N 433.574 2.317 10 10 IECE NS(=O)(=O)c1ccc(SCC(=O)NCc2ccc(N3CCSCC3)cc2)cc1 1441627177 AQWUMWJRDWZXLA-UHFFFAOYSA-N 437.612 2.296 10 10 IECE COc1ccc(N2CCCN(c3nnc(CC(C)C)n3C[C@H]3CCC(=O)N3)CC2)cc1 1504292606 OHWBODIDTNDQBR-GOSISDBHSA-N 426.565 2.481 10 10 IECE Cc1cc(N(C)C)ccc1Cn1c(Cc2ccncc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1510672339 HZGYQWVPKPAZHS-SFHVURJKSA-N 433.560 2.354 10 10 IECE CN(Cc1ccccc1O)c1nnc(Cc2ccsc2)n1CC(=O)N1CCOCC1 1554175023 GJOISPSBRUVANB-UHFFFAOYSA-N 427.530 2.131 10 10 IECE O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)NCCN1CCC(O)CC1 1569179322 GKVSUGPOOYQXPO-DTQAZKPQSA-N 439.628 2.302 10 10 IECE COc1ccc(N2CCN(CCCNC(=O)[C@H](C)N3CSCCSC3)CC2)cc1 1587447206 DCAZDFUJJBFACL-SFHVURJKSA-N 438.663 2.409 10 10 IECE CN(C)c1ccc([C@@H](CNC(=O)CN2CCC(CO)CC2)NC(=O)OC(C)(C)C)cc1 1629685454 NTTQZRRYFBQWJS-HXUWFJFHSA-N 434.581 2.139 10 10 IECE COC(=O)C[C@H](NC(=O)/C=C/C(=O)N1CCN(c2ccc(OC)cc2)CC1)C1CCCC1 1634949310 PNZNBXRPMZMACB-VIOKTNGOSA-N 443.544 2.138 10 10 IECE CC(C)(C)OC(=O)N1CC[C@@](F)(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)C1 1634974572 ZQTRSYBLPXYWRP-QHCPKHFHSA-N 448.539 2.354 10 10 IECE CC(C)N1CCN(CCC(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)CC1 1636425013 OQCAQSPWSQFNBN-UHFFFAOYSA-N 427.637 2.251 10 10 IECE O=C(NCc1cccc(Br)c1O)NC[C@H]1CS(=O)(=O)c2ccccc2O1 1683513810 UURRSKYGKMNZMM-LBPRGKRZSA-N 441.303 2.189 10 10 IECE CN(Cc1ccccc1O)c1nnc(-c2cccnc2)n1C[C@H]1CCCN1S(C)(=O)=O 1767111899 JTHAGPVGDPXJOV-GOSISDBHSA-N 442.545 2.106 10 10 IECE C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(N(C)C)c(F)c2)C[C@@H]1F 1770639673 FPJNFUAGGKCJDX-UNEWFSDZSA-N 439.532 2.228 10 10 IECE COC[C@@H]1CN(c2nnc(-c3cnccn3)n2Cc2ccc(N(C)C)cc2C)C[C@H](C)O1 1770952619 WNAVSUBUTIIWDK-PXNSSMCTSA-N 437.548 2.398 10 10 IECE C[C@@H]1CCCN(CC(=O)NCCN2C(=O)C(=Cc3ccc4c(c3)OCO4)SC2=S)C1 2040482798 ZAOYRMCZDKJOSQ-CQSZACIVSA-N 447.582 2.465 10 10 IECE COc1cc(/C=C2/SC(=S)N(Cc3ccco3)C2=O)ccc1OCC(=O)NCCO 33723474 ZVOVZZVFGZWHDW-LICLKQGHSA-N 448.522 2.177 10 10 IECE O=C(O)CCOc1ccccc1/C=C1\SC(=S)N(CCCN2CCOCC2)C1=O 210439181 OUXXBASNVYIMNV-VKAVYKQESA-N 436.555 2.464 10 10 IECE CCCCn1c(N)c(N(C)C(=O)/C=C\c2c(C)nn(-c3ccccc3)c2C)c(=O)[nH]c1=O 229938989 BIGQAOJVYVODLS-SEYXRHQNSA-N 436.516 2.398 10 10 IECE Cc1cc(CCNC(=O)C(=O)Nc2ccnc(C(=O)N(C)C)c2)c(C)n1-c1ccccc1 754934829 YCMLURMUAOGYAH-UHFFFAOYSA-N 433.512 2.488 10 10 IECE C[C@@H](CO)N(C)C(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 765216269 GJTCEXGTRSXSSC-JLATVTFTSA-N 429.361 2.490 10 10 IECE COc1cc(N2CCN(C(=O)[C@H]3CCCN3CC(F)(F)F)CC2)cc(OC)c1OC 812547998 RUSWYWVMGVITFA-OAHLLOKOSA-N 431.455 2.388 10 10 IECE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1ccc(S(=O)(=O)NC[C@H](C)O)cc1 1142418731 IYWHEDFESLKVBL-IRXDYDNUSA-N 433.574 2.081 10 10 IECE O=C(CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)NCCN1C(=O)CCCC1=O 1147549404 OFJJBUHJLVKAMA-NTCAYCPXSA-N 449.529 2.072 10 10 IECE CN(C)c1noc(CNC(=O)CCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)n1 1155034493 MCGCQTUHVHVSII-LCYFTJDESA-N 435.506 2.182 10 10 IECE CC[C@@H](NC(=O)NCc1ccc(N2CCN(C)CC2)cc1)C(=O)NCc1cccs1 1246301372 FJMBSXJTHBKXFH-HXUWFJFHSA-N 429.590 2.394 10 10 IECE CN1CCN(c2ccc(CNC(=O)[C@H](CCS(C)(=O)=O)c3ccccc3)cc2)CC1 1288334509 JHOFQGLMQHZWCB-JOCHJYFZSA-N 429.586 2.273 10 10 IECE Cc1ccc(CCC(=O)NCC(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)cc1 1303720321 BVASPTYBLBBTPE-UHFFFAOYSA-N 436.556 2.062 10 10 IECE CCN1C(=O)C[C@H](C(=O)NCc2ccc(N3CCOCC3)c(F)c2)[C@H]1c1cccnc1 1350934025 WKEGXOWQZFTZTN-PGRDOPGGSA-N 426.492 2.283 10 10 IECE COc1ccc(N2CCCN(C(=O)NC[C@@H]3CS(=O)(=O)c4ccccc4O3)CC2)cc1 1478860809 FCNVEKWLQBUPBS-LJQANCHMSA-N 445.541 2.152 10 10 IECE COc1ccc(N2CCN(c3nnc(C(C)(C)C)n3Cc3ncn(C)n3)CC2)cc1F 1518307274 DBJVZLVFQKORME-UHFFFAOYSA-N 428.516 2.227 10 10 IECE CS(=O)(=O)[C@H]1CCN(c2nnc(CC3CC3)n2CCCSc2nccs2)C1 1519516003 GLQWJWNAIMFCFD-AWEZNQCLSA-N 427.621 2.493 10 10 IECE CCc1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1Cc1ccc(N2CCOCC2)cc1 1546546814 JLNOSNDBNKDSAY-QGZVFWFLSA-N 425.455 2.493 10 10 IECE COc1cc(N2CCN(C(=O)c3cc(Br)n[nH]3)CC2)cc(OC)c1OC 1556129377 AZXRGPVVKZEROH-UHFFFAOYSA-N 425.283 2.160 10 10 IECE COCCN(CCOC)C1CCN(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1 1636854348 YHLPVYREDXARKR-IBGZPJMESA-N 434.581 2.043 10 10 IECE O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@H]1CS(=O)(=O)Cc2ccccc21 1637166659 SOYNEDCLQKRJSB-QFIPXVFZSA-N 443.569 2.364 10 10 IECE COCc1csc(CNC(=O)/C=C\C(=O)N2CCN(c3ccc(OC)cc3)CC2)c1 1641552233 SQYQHYJXZOBFGC-FPLPWBNLSA-N 429.542 2.424 10 10 IECE COC(=O)[C@]12C[C@H]1CCCN2CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 1660280317 VRHHSLGGONNPTE-KNESASJNSA-N 433.524 2.083 10 10 IECE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C)C2)n1Cc1ccc(N(C)C)c(F)c1 1693668435 KQUDBNPGNCCNQV-CABCVRRESA-N 438.573 2.378 10 10 IECE CCO[C@]1(c2nnc(N3CC[C@H](OC)C3)n2Cc2ccc(N(C)C)c(F)c2)CCOC1 1746742111 BXOYYDFPMQMPKR-HTAPYJJXSA-N 433.528 2.409 10 10 IECE COc1ccc(N2CCOCC2)cc1NS(=O)(=O)c1ccc(N2CCCC2=O)cc1 1858033347 NMBPNFHPQSEMFW-UHFFFAOYSA-N 431.514 2.459 10 10 IECE O=C(Oc1cc(O)c2c(c1)O[C@@H](c1ccc(O)c(O)c1)[C@@H](O)C2)c1cc(O)c(O)c(O)c1 14642871 WKIHBIBUCQPPBY-RXVVDRJESA-N 442.376 2.177 10 10 IECE endogenous,in-man C[C@@H](C(=O)NCC(=O)O)N1C(=O)/C(=C/c2cccc(Br)c2)SC1=S 15047757 IMDWZHNMTRNEIF-OITNDJBGSA-N 429.317 2.240 10 10 IECE COc1cc(CN2CCN(c3cc4c(cc3[N+](=O)[O-])OCC(=O)N4)CC2)cc(OC)c1 761907830 QSSODKADKPMEFQ-UHFFFAOYSA-N 428.445 2.265 10 10 IECE C/C(=C\C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1cnccn1 1125384175 MPZFKCDYDGMDSS-GHRIWEEISA-N 433.491 2.452 10 10 IECE C[C@@H](NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S)c1nnc(O)n1C 1143927937 MSRCORSNNPPGKU-QSARLWQPSA-N 437.572 2.441 10 10 IECE CC(C)(C)OC(=O)N1CCOC[C@@H]1CC(=O)NCc1ccc(N2CCC(O)CC2)cc1 1148705473 JBKFEYCKSFGQTG-IBGZPJMESA-N 433.549 2.290 10 10 IECE CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)n(C)c1 1437579722 PFFRENSFICONRD-MRXNPFEDSA-N 434.562 2.073 10 10 IECE O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccnc(N2CCOCC2)n1 1445889676 ZDZQDWWDRDOXQC-QGZVFWFLSA-N 431.924 2.067 10 10 IECE CC(C)(CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)[C@H]1COCC12OCCO2 1478798461 QHNMQRVKYJMSAX-UYAOXDASSA-N 434.533 2.499 10 10 IECE COc1ccc(N(C)CCN(C)C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)cc1 1527595703 ORXKLFSZLIQOPN-KRWDZBQOSA-N 430.461 2.396 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C\C(=O)NCCN3c4ccccc4C[C@@H]3C)CC2)cc1 1583950348 HCFYCPKCBHNGGP-DUQGCJEPSA-N 448.567 2.467 10 10 IECE C[C@H]1CN(c2ccc(CNC(=O)Cn3cc(N=S(C)(C)=O)cn3)cc2F)C[C@@H](C)O1 1614748177 CZOCZMFVLIUQIB-GASCZTMLSA-N 437.541 2.311 10 10 IECE CCO[C@]1(c2nnc(N(C)Cc3ccccc3O)n2C[C@@]2(O)CCSC2)CCOC1 1616156925 VTLZEGORXFLGKI-LEWJYISDSA-N 434.562 2.140 10 10 IECE COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](CO)Cc3cc(OC)cc(OC)c3)C2)cc1 1636854001 QAWHABBJAUJAJS-OALUTQOASA-N 443.544 2.442 10 10 IECE C[C@@H]1CN(c2ccc(CNC(=O)CN3CCC[C@@H]3C(=O)NC(C)(C)C)cc2F)C[C@@H](C)O1 1654860092 UDKSAWFMVJZWIQ-CBGDNZLLSA-N 448.583 2.435 10 10 IECE Cn1cc(CCNC(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)c2cccnc21 1684684363 AAKHSMIEHZLCNZ-UHFFFAOYSA-N 434.544 2.317 10 10 IECE COCCCNC(=O)C1CCN(c2nnc(C)n2Cc2ccc(N(C)C)cc2C)CC1 1730707666 FYYMBDSCPKTSAK-UHFFFAOYSA-N 428.581 2.378 10 10 IECE CCN(C1CCN(c2nnc(C)n2CCCSc2nccs2)CC1)S(C)(=O)=O 1764835072 YHPYMKFLJOLMMD-UHFFFAOYSA-N 444.652 2.476 10 10 IECE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)N3CCOCC3)c3ccccc3)CC2)cc1 1873831600 VVUVLJDJZSANSP-JOCHJYFZSA-N 438.528 2.127 10 10 IECE COc1ccc(N2C(=O)C(=CNN3CCOCC3)C(=O)N(c3ccccc3)C2=S)cc1 2297512743 PZGGTPCZEHIAFM-UHFFFAOYSA-N 438.509 2.081 10 10 IECE O=C(O)C[C@H](C(=O)O)N1C(=O)C(=Cc2c[nH]nc2-c2cccc([N+](=O)[O-])c2)SC1=S 2314489876 WBPFCYXPVZERBZ-LLVKDONJSA-N 448.438 2.114 10 10 IECE CCOc1cc(/C=C2/C(=O)NC(=O)N(C3CCCCC3)C2=O)ccc1OCC(=O)OC 9259633 ZZLQBUJJHOGVLX-WJDWOHSUSA-N 430.457 2.432 10 10 IECE COc1cc(/C=C2/SC(=S)N(NC(=O)c3cccnc3)C2=O)ccc1OCC(=O)O 16915200 IMCAIQLTVUAWMM-OVCLIPMQSA-N 445.478 2.100 10 10 IECE O=C(O)CCCCCNC(=O)CCN1C(=O)/C(=C\c2ccc(O)cc2O)SC1=S 210705123 STNWODYSVVACCX-XNTDXEJSSA-N 438.527 2.450 10 10 IECE COc1ccc(N2CCN(CCNC(=O)NC[C@](C)(O)c3ccc(F)cc3F)CC2)cc1 734008988 GQPIHRXSGBMDKU-QHCPKHFHSA-N 448.514 2.302 10 10 IECE CNc1ncc(C(=O)OCC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)s1 770036726 WWUJIJJAAAIPLI-STQMWFEESA-N 436.509 2.411 10 10 IECE C[C@H](NC(=O)C(=O)Nc1ccc2ccc(=O)n(C)c2c1)c1ccc(N2CCOCC2)cc1 787474698 YBOUVARGCSXCQL-INIZCTEOSA-N 434.496 2.191 10 10 IECE CCN(CC)c1ccc(CNC[C@@H]2CCn3ncc(C(=O)N4CCN(C)CC4)c3C2)cc1 792739213 PHAKTIYQLQGHNU-OAQYLSRUSA-N 438.620 2.469 10 10 IECE C[C@@H]1CN(c2ccc(CNC(=O)N3CCN(CC(F)(F)F)C(=O)C3)cc2F)C[C@@H](C)O1 804968354 BLWAROWVKSYLJT-ZIAGYGMSSA-N 446.445 2.355 10 10 IECE CC1=CC(NC(=O)c2ccco2)=S=C1C(=O)N[C@H]1C[C@H](S(=O)(=O)c2ccccc2)C1 1132487014 TVIUWFZMACVTOJ-KOMQPUFPSA-N 444.534 2.126 10 10 IECE CCS(=O)(=O)c1ccc(C(=O)Nc2cccc(N3CCC(C(N)=O)CC3)c2)c(N)c1 1147390864 SIICNYXPSYXDCQ-UHFFFAOYSA-N 430.530 2.016 10 10 IECE O=C(NCc1c(O)cccc1F)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 1156171256 YUQZVUHTYPOFMV-KRWDZBQOSA-N 437.449 2.299 10 10 IECE CCC(C)(C)[C@H](C)NC(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1312975568 GITFMBNGNWRFOL-KRWDZBQOSA-N 440.610 2.271 10 10 IECE COC(=O)c1cccn(CC(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)c1=O 1360068573 GTVQGDLIUWANNA-UHFFFAOYSA-N 425.407 2.292 10 10 IECE C[C@@H]1CN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCN1Cc1ccccc1 1473546407 OUTXJVXCRVQRCU-HXUWFJFHSA-N 440.563 2.485 10 10 IECE COc1ccc(S(=O)(=O)N2CC(NC(=O)NCc3c(O)ccc4c3CCCC4)C2)cc1 1478598039 IKVWELRDNADZMR-UHFFFAOYSA-N 445.541 2.152 10 10 IECE COC[C@@]1(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)CCN(C(=O)OC(C)(C)C)C1 1536523872 MCDGDHNMFAQEBH-XMMPIXPASA-N 446.592 2.328 10 10 IECE CCN(CC)c1ccc(Cn2c([C@H]3CCOC3)nnc2N(C)C[C@@H](C)C(=O)NC)cc1 1547447124 PCAGTCMCGVMEQQ-MJGOQNOKSA-N 428.581 2.495 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N[C@]3(CO)CCCC(C)(C)C3)CC2)cc1 1557537233 AHOQSHHGANUVCA-HBRDYDSTSA-N 429.561 2.348 10 10 IECE COc1ccc(N2CCN(CCNC(=O)c3ccc(Cn4ccccc4=O)o3)CC2)cc1 1583752798 QKCXHMUCPNQXOW-UHFFFAOYSA-N 436.512 2.050 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CCC[C@](O)(c4ccccc4)C3)CC2)cc1 1629445147 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O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@H]1CCCN(Cc2ccccn2)C1=O 1670942898 XFCAYHQFMFFQEC-QFIPXVFZSA-N 437.544 2.033 10 10 IECE COc1ccc(N(C)CCN(C)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2OC)cc1 1684370342 APNKJLKRIMRZDH-RTBURBONSA-N 436.553 2.407 10 10 IECE CN(C)c1ccc(Cn2c(-c3ccc[nH]3)nnc2N2CC[C@H](S(C)(=O)=O)C2)cc1F 1696608585 YZCRVOOVTYYEQO-HNNXBMFYSA-N 432.525 2.150 10 10 IECE CN(CCCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1O)CC(F)(F)F 1729520088 XFXSVHXJCAXBDQ-OAHLLOKOSA-N 440.470 2.455 10 10 IECE Cc1nnc(CCn2c(C(=O)N3CCCC3)nnc2N(C)Cc2ccccc2O)s1 1742732750 RYCNMAQINLKVIK-UHFFFAOYSA-N 427.534 2.259 10 10 IECE CC[C@@H](C)c1nnc(N2CCN(CCOC)C(=O)C2)n1Cc1ccc(N(C)C)c(F)c1 1743773866 ZNWWFTPCQFCVOM-MRXNPFEDSA-N 432.544 2.340 10 10 IECE CC(C)Cc1nnc(N2CCC[C@@H](CC(N)=O)C2)n1Cc1ccc(N2CCOCC2)cc1 1750739849 VVDRANVFRKDDQZ-FQEVSTJZSA-N 440.592 2.453 10 10 IECE CCCn1nc(C)c2c1OC(N)=C(C(=O)N1C[C@H](C)O[C@@H](C)C1)[C@H]2c1ccc(O)c(O)c1 1865025910 FGGXWXNIDDLBTA-JMERFSKESA-N 442.516 2.343 10 10 IECE COc1ccc(N2CCN(C(=O)c3cn(-c4ccc5nc[nH]c5c4)c(=O)cc3O)CC2)cc1 1870130147 HVLXLPKZZJSGSX-UHFFFAOYSA-N 445.479 2.390 10 10 IECE C[C@@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)N1C(=O)c2ccncc2C1=O 1874178977 FNVRVPNSLCSXEU-LBPRGKRZSA-N 425.400 2.480 10 10 IECE O=C([C@H]1CN(C(=O)/C=C\c2cnc3ccccc3n2)c2ccccc2O1)N1CCOCC1 733657884 PLPCKLMBADGCMN-MZMPXXGTSA-N 430.464 2.296 10 10 IECE Cc1nc(C(=O)NCc2cc(Br)ccc2O)nn1-c1n[nH]c(C(F)(F)F)n1 804733206 LNMRJOSBERFTDN-UHFFFAOYSA-N 446.187 2.111 10 10 IECE Cc1cc(CC(=O)NCCS(=O)(=O)N=S(C)(C)=O)c(C)n1-c1ccc(Cl)cc1 1133905267 WKYFFEMMKVWJRA-UHFFFAOYSA-N 445.994 2.464 10 10 IECE COc1ccc(N2CCN(CCCNC(=O)C[C@H](O)C(Cl)(Cl)Cl)CC2)cc1 1290318492 LNYJLSMCERJYMN-INIZCTEOSA-N 438.783 2.445 10 10 IECE CC(C)(C)OC(=O)NC1(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CCC1 1291872071 SDSWVLYZJOZJQE-KRWDZBQOSA-N 430.549 2.452 10 10 IECE Cc1ncc([N+](=O)[O-])n1CC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 1354327781 IIWKLNGIPXBPAO-UHFFFAOYSA-N 427.383 2.272 10 10 IECE 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Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)N[C@H](C)c3ccccc3O)CC2)cc1 1560074664 APECFXHATLOTDW-MSOLQXFVSA-N 431.558 2.273 10 10 IECE O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@@H](O)[C@H](O)c1nc2ccccc2[nH]1 1595582946 HNELMRUOYZLHAK-XPGWFJOJSA-N 444.919 2.097 10 10 IECE COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CCC(=O)Nc1nnc(C2CC2)o1 1623928095 FAHHFKMVNBBAIC-UHFFFAOYSA-N 436.852 2.227 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CCC[C@@](O)(c4ccccc4)C3)CC2)cc1 1629445145 QCUDBUZSZIHXDA-JYSHFMIGSA-N 449.551 2.410 10 10 IECE COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 1630618935 NSDSUMGZMBOGAE-YJBOKZPZSA-N 435.521 2.094 10 10 IECE CC(=O)N1C[C@H]2[C@@H](NC(=O)NCc3cc(F)c(N4CCOCC4)c(F)c3)CCC[C@H]2C1 1635917820 JDRBGYLFQFWQEP-QKLQHJQFSA-N 436.503 2.248 10 10 IECE CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2CCCN(C(=O)N3CCCC3)C2)N(C)C)cc1 1686435458 NXORCYOQZDJFQO-CTNGQTDRSA-N 430.597 2.335 10 10 IECE Cc1nsc(N2CCCN(C(=O)NCc3ccc(N4CCN(C)CC4)cc3)CC2)n1 1687441307 JDOQJBSRKZZTEB-UHFFFAOYSA-N 429.594 2.020 10 10 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Cc1ccccc1-n1c(C)cc(C(=O)COC(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)c1C 919046483 RLPDLYZLOUNYFO-KHPPLWFESA-N 435.480 2.239 10 10 IECE COc1cc(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)cc(OC)c1OCC(N)=O 1129974823 SIBQOKFXBRSKKR-HNNXBMFYSA-N 429.517 2.303 10 10 IECE C[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)OCc1ccccc1)c1ccc(N(C)C)cc1 1183225824 BROPPWPWHFBHPU-UZLBHIALSA-N 426.517 2.490 10 10 IECE CC1(C)C(=O)N(Cc2ccccc2)CCN1C(=O)c1cc(NS(C)(=O)=O)ccc1O 1298564035 ARUWJDYENWNBJC-UHFFFAOYSA-N 431.514 2.027 10 10 IECE COc1ccc(N2CCN(C(=O)[C@@H]3CCO[C@H]3CNC(=O)OC(C)(C)C)CC2)cc1F 1445837727 AEMUIWABKQEDAJ-APWZRJJASA-N 437.512 2.413 10 10 IECE O=C(CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)N1CCC(OCCO)CC1 1466116247 NKWPTMKFLHUXPG-GHRIWEEISA-N 438.546 2.417 10 10 IECE COc1ccc(N(C)CCN(C)C(=O)NCc2cccc(N(C)S(C)(=O)=O)c2)cc1 1471555041 RBLLRUCDBKEXHX-UHFFFAOYSA-N 434.562 2.369 10 10 IECE CCN(C)[C@H]1CCN(C(=O)c2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2O)C1 1472447098 FECHRYUEAMZCRN-INIZCTEOSA-N 448.501 2.267 10 10 IECE C[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1O)NC(=O)OC(C)(C)C 1505281707 KJRGSTHSYFPQAE-GDBMZVCRSA-N 444.536 2.484 10 10 IECE CC(C)(C)c1cc(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)nc2ncnn12 1528261719 OQMRHAXWDPPBPE-UHFFFAOYSA-N 430.459 2.467 10 10 IECE CCN1C(=O)CO[C@H](C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)[C@H]1c1ccnn1C 1543594320 QNANMHLRKUXMLR-RPWUZVMVSA-N 449.555 2.475 10 10 IECE C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1nc(N)nc(N2CCOCC2)n1 1546150091 DOGMRYNQSJYLRT-MRXNPFEDSA-N 434.500 2.400 10 10 IECE CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3CCCCN3C(=O)CC(C)C)cc2)CC1 1567592391 TZNNWLZLLGBFAB-QFIPXVFZSA-N 428.577 2.399 10 10 IECE O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 1628764145 MXLHPYFVWPNXBI-UHFFFAOYSA-N 440.435 2.206 10 10 IECE CN(C(=O)c1cc(NS(C)(=O)=O)ccc1O)[C@H](CNC(=O)OC(C)(C)C)C1CC1 1633473956 RJALMIAFHLQECG-OAHLLOKOSA-N 427.523 2.139 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N[C@H](CO)CCc3ccccc3)CC2)cc1 1645698875 PNBAROIVIMQFMP-ARKBFRDHSA-N 437.540 2.010 10 10 IECE 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COc1ccc(N2CCN(C(=O)/C=C/C(=O)N(C)Cc3ccc(O)c(OC)c3)CC2)cc1 778323908 ACXVUHFLRCVUCG-ZHACJKMWSA-N 439.512 2.273 10 10 IECE COc1ccc(N2CCN(C(=O)CN3C(=O)O[C@]4(CCc5ccccc54)C3=O)CC2)cc1 786896236 HEHLJRUYYOPHPN-DEOSSOPVSA-N 435.480 2.164 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NC[C@@](C)(O)C3CCCCC3)CC2)cc1 791066132 FLFDFPFCDWRYAB-JHUUHBRDSA-N 429.561 2.348 10 10 IECE CC1(C)CN(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)C[C@]2(CCOC2)O1 1229780927 KGMHVBGVBFURRN-NRFANRHFSA-N 425.476 2.281 10 10 IECE COC[C@H](NCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)C1CCOCC1 1307924181 OBHIBJQYSQCKQX-LZJOCLMNSA-N 437.556 2.087 10 10 IECE COCCc1noc(CN(C)c2nnc(C)n2Cc2ccc(N3CCSCC3)cc2)n1 1315989928 NJRKFVMOCNVOLV-UHFFFAOYSA-N 443.577 2.396 10 10 IECE CC(=O)NC1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(N(C)C)cc2C)CC1 1359428783 MKPPZCQNCOEWFQ-IBGZPJMESA-N 426.565 2.310 10 10 IECE CC1CCN(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccccc2O)CC1 1494079826 DZMPQEIVKMVGKL-LJQANCHMSA-N 447.605 2.254 10 10 IECE 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CCCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccccn2)[C@@H]1c1ccc(O)c(O)c1 1864019063 VFCYBQMWEYRPLT-SFHVURJKSA-N 435.484 2.462 10 10 IECE COc1ccc(N2CCN(C(=O)CCNS(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 1873831338 GGABCSSAVBBSPT-UHFFFAOYSA-N 437.949 2.366 10 10 IECE CCn1c(N2CCCCC2)c(/C=C2\SC(=S)N(CC(=O)O)C2=O)c(C)c(C#N)c1=O 39989629 JJXYFBIDERDIHP-DHDCSXOGSA-N 446.554 2.324 10 10 IECE CCc1ccc(OC)c(S(=O)(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)c1 56966109 RNNHMJKBECGXAQ-UHFFFAOYSA-N 433.574 2.367 10 10 IECE COc1ccc(N2CCN(CCNC(=O)N3CCO[C@H](c4cccc(O)c4)C3)CC2)cc1 765716545 NZJUAFBVZHURIL-QHCPKHFHSA-N 440.544 2.306 10 10 IECE C[C@@]12CCC(=O)N1[C@H](C(=O)NCc1ccc(N3CCN(CC4CC4)CC3)cc1)CS2 769121189 DHONNFODEBBLPB-NZQKXSOJSA-N 428.602 2.289 10 10 IECE COc1ccc(N2CCN(CCNC(=O)N[C@H](c3cnn(C)c3)C(F)(F)F)CC2)cc1 772777071 QVTROKZNYOLKHX-GOSISDBHSA-N 440.470 2.154 10 10 IECE COc1ccc(N2CCN(CCNC(=O)N[C@@H](C)c3nnc4n3CCCCC4)CC2)cc1 787769449 FXOFLDMWOCUTAJ-SFHVURJKSA-N 441.580 2.196 10 10 IECE O=C(NCc1cc(Br)ccc1O)Nc1ccc(C[C@@H]2NC(=O)NC2=O)cc1 806382972 BRRCRNSOAIZJCF-AWEZNQCLSA-N 433.262 2.227 10 10 IECE CC[C@@H](NC(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)C(N)=O 813314864 LQRFFLBWEYHKQM-HBZGRHIISA-N 442.360 2.030 10 10 IECE C[C@H](OC(=O)[C@@H]1CCNC(=O)CC1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 815423761 MORIRANCBSSDLH-KBPBESRZSA-N 434.448 2.249 10 10 IECE Cc1cc(C(=O)N(CCO)CCOCCO)c(C)n1-c1ccccc1Br 1149360058 OQGKWXRSWITLSC-UHFFFAOYSA-N 425.323 2.300 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C/C(=O)Nc3ccc(-c4nc(C)no4)nc3)CC2)cc1 1158556699 XXESDGZHDYLCPS-MDZDMXLPSA-N 448.483 2.292 10 10 IECE Cc1nn(C)cc1[C@H]1CCCN1C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1230798856 KLDWRBJZQVFPCL-HXUWFJFHSA-N 431.562 2.010 10 10 IECE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N1CCC[C@@]1(CO)c1ccccc1 1230799361 OZOIITGQZPKSBD-HSZRJFAPSA-N 443.569 2.115 10 10 IECE CC(C)O[C@@]1(c2nnc(N(C)Cc3ccccc3O)n2C[C@]2(C)CN(C)C2=O)CCOC1 1288286924 MBDHCRAXBDNESQ-GOTSBHOMSA-N 443.548 2.139 10 10 IECE CCN(CC)c1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCOC[C@H]2C)cc1 1313678382 CUWZWCJOGCIYQN-IEBWSBKVSA-N 447.605 2.300 10 10 IECE CN1CC[C@](Cc2ccccc2)(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1=O 1464361021 JGODDKORQDDLDT-RLWLMLJZSA-N 448.567 2.096 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N[C@H](CCO)c3ccccc3F)CC2)cc1 1469368312 CUUTVLMHNIZNBF-GMAFFVFYSA-N 441.503 2.279 10 10 IECE CN(C)c1ccc([C@H](CNC(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)N(C)C)cc1 1479535833 ZZGRGZHQVNDXNR-SLFFLAALSA-N 449.596 2.025 10 10 IECE COC(=O)c1cccn(CC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1=O 1524069434 QXCNGVZPMJMFBJ-CQSZACIVSA-N 435.427 2.022 10 10 IECE O=C(Cn1cnc(-c2ccccc2)cc1=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 1524851495 UXYJZHHCVIFBOE-UHFFFAOYSA-N 440.450 2.342 10 10 IECE COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CCCN3S(=O)(=O)c3cccs3)C2)cc1 1532104826 FZVGLTNDKPQPNK-YJBOKZPZSA-N 435.571 2.305 10 10 IECE CCCCC[C@@H](NC(=O)/C=C/C(=O)N1CCN(c2ccc(OC)cc2)CC1)C(=O)OC 1545340517 VBLJCCOFYWXGGB-DRUFCSCSSA-N 431.533 2.138 10 10 IECE 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Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1 1136154602 GXLVWZZVFZBPDD-UHFFFAOYSA-N 437.499 2.064 10 10 IECE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)NCc1cccc(Br)c1O 1156791436 JLJWCVCZLPWUCK-CQSZACIVSA-N 428.327 2.322 10 10 IECE NC(=O)C1CCN(c2ccc(CNC(=O)NCc3ccc4c(=O)cc[nH]c4c3)cc2)CC1 1229740173 KSJREBBTFATTSC-UHFFFAOYSA-N 433.512 2.229 10 10 IECE CCS(=O)(=O)CCN(C)c1nnc(-c2cccn2C)n1Cc1ccc(N(C)C)c(F)c1 1314523715 HGMNTLZNONCCAM-UHFFFAOYSA-N 448.568 2.408 10 10 IECE COCCn1cc(N2C[C@H](C(=O)N(C)Cc3ccc(N4CCCC4)cc3)CC2=O)cn1 1353911987 VLQLKONGAUTWQR-LJQANCHMSA-N 425.533 2.141 10 10 IECE COc1ccc(N2CC[C@H](CNC(=O)CN3C(=O)N[C@@](C)(c4ccccc4)C3=O)C2)cc1 1526246364 KEOBLMKUVWZMCW-OSPHWJPCSA-N 436.512 2.105 10 10 IECE CC(C)(C)OC(=O)N1CCN(CC(=O)NCc2cccc(Br)c2O)CC1 1556481556 WYEKGEGBZHJJDP-UHFFFAOYSA-N 428.327 2.324 10 10 IECE O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)[C@H]1CCCN(C(=O)c2ccncc2)C1 1584514816 BNBQOHSTQRLNJB-SFHVURJKSA-N 444.482 2.365 10 10 IECE CCOC(=O)c1cc2n(n1)C[C@@H](C)N(C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C2 1638918716 YZJHBSRGGCKBQC-IIBYNOLFSA-N 442.564 2.342 10 10 IECE NC(=O)C1CCN(c2ccc(CNC(=O)N3CCC[C@](O)(C(F)(F)F)CC3)cc2)CC1 1687631821 DSGNSGLNMRGLNH-HXUWFJFHSA-N 442.482 2.377 10 10 IECE CC(=O)N1CCN(CCn2c(CC(C)(C)C)nnc2N(C)Cc2ccccc2O)CC1 1741058770 SFGVFGLGYFEKOE-UHFFFAOYSA-N 428.581 2.373 10 10 IECE CCOCc1nnc(N2CCNC(=O)[C@H]2CC)n1Cc1ccc(N2CCSCC2)cc1 1747213762 PGRMQJVENAYPPS-LJQANCHMSA-N 444.605 2.131 10 10 IECE CNC(=O)[C@H](C)CN(C)c1nnc(C2CCC2)n1Cc1ccc(N2CCOCC2)cc1 1748115810 DQBDVRYAZARXNH-QGZVFWFLSA-N 426.565 2.249 10 10 IECE COc1ccc(N2CCN(C(=O)c3cn(CCCCCCO)c(=O)cc3O)CC2)cc1 1870120035 OOKOAHYVKMOACN-UHFFFAOYSA-N 429.517 2.078 10 10 IECE C[C@@H](OC(=O)c1cc(C(N)=O)cn1C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 756693686 VDETYGRDBORQOT-GFCCVEGCSA-N 445.431 2.083 10 10 IECE Cc1cc(N2CCC[C@@H](NC(=O)NCc3ccc(N4CCOCC4)c(F)c3)C2)n(C)n1 767778745 OHFNRMCUOLZOGB-GOSISDBHSA-N 430.528 2.172 10 10 IECE CCOC(=O)CN(CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)C1CCC1 767876622 QWWFGOIFVPMFII-IRXDYDNUSA-N 435.540 2.473 10 10 IECE COc1ccc(N2CCN(CCNC(=O)Cc3cccc(N4CCCC4=O)c3)CC2)cc1 784935891 BZJNXYFJACYNIV-UHFFFAOYSA-N 436.556 2.303 10 10 IECE Cc1nccnc1N1CCN(C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)CC1 799614765 SAIXSBGSGHGWGY-UHFFFAOYSA-N 449.603 2.349 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C\C(=O)Nc3ccc4nc(O)n(C)c4c3)CC2)cc1 799825910 BOGCXIKAPXAQFK-KTKRTIGZSA-N 435.484 2.131 10 10 IECE COc1ccc(N2CCN(CCNC(=O)C(=O)N3CCC4(CCCCC4)C3)CC2)cc1 803747142 MGSIVBNRRHUVKW-UHFFFAOYSA-N 428.577 2.116 10 10 IECE CN(C)c1ccc([C@H](CNC(=O)Cc2nnn(C(C)(C)C)n2)NC(=O)OC(C)(C)C)cc1 1293792050 DEPJKDPIFQXGMU-KRWDZBQOSA-N 445.568 2.419 10 10 IECE CC(=O)N1CC[C@H](CN(C)c2nnc(C)n2Cc2ccc(N3CCC(CO)CC3)cc2)C1 1301647295 DHEDAJXJQIKSBP-JOCHJYFZSA-N 440.592 2.148 10 10 IECE NS(=O)(=O)c1ccc(OCCSCC(=O)NCc2cccc(Cl)c2O)cc1 1457039157 VEHWSHNPVWQWIM-UHFFFAOYSA-N 430.935 2.121 10 10 IECE COc1ccc(N2CCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)CCN3C)CC2)cc1F 1465930623 YUZVSDUEDDLTAR-GOSISDBHSA-N 436.528 2.034 10 10 IECE COc1ccccc1C[C@@](C)(CO)NC(=O)NCc1ccc(N2CCN(C)CC2)cc1 1471191676 ROAQSJOYCLQZCG-DEOSSOPVSA-N 426.561 2.240 10 10 IECE CCN1CCCN(c2nnc(C(C)C)n2Cc2ccc(N3CCOCC3)cc2)CC1=O 1547689633 QRNREWUZYRNPPZ-UHFFFAOYSA-N 426.565 2.345 10 10 IECE COc1ccc(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)nc1Br 1584508232 YSOHJEKVNIRJIB-UHFFFAOYSA-N 447.333 2.484 10 10 IECE COc1ccc(N2CC[C@H](CNC(=O)c3c(I)cnn3C)C2)cc1 1585664599 DEOZDSRBJTYIHA-GFCCVEGCSA-N 440.285 2.290 10 10 IECE CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc4nc(C(C)(C)CO)[nH]c4c3)cc2)CC1 1625199203 RBKCXEQKTQPOTA-UHFFFAOYSA-N 449.555 2.431 10 10 IECE CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2cccc3c2CCN3C(=O)C(F)(F)F)c1 1641881516 QEBJDOYCYOKJNX-UHFFFAOYSA-N 443.403 2.467 10 10 IECE CN(CC(=O)NCc1c(O)ccc2ccccc12)S(=O)(=O)c1cccc([N+](=O)[O-])c1 1652706172 XTUFSCWNNPGVDR-UHFFFAOYSA-N 429.454 2.391 10 10 IECE COc1ccc(N2CCN(CCOCCN3C(=O)c4ccccc4C3=O)CC2)cc1F 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CN(C)CCn1c(O)nc2ccc(C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)cc21 1135733212 YCXRSBUDJABSAK-UHFFFAOYSA-N 437.544 2.412 10 10 IECE Cn1cc(N2C[C@@H](C(=O)N[C@@H]3CCCN(Cc4cc(Cl)ccc4O)C3)CCC2=O)cn1 1137440392 UZGMDRVHWMZUBZ-MAUKXSAKSA-N 445.951 2.303 10 10 IECE Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)Nc2ccn(CCS(C)(=O)=O)n2)cc1 1293865232 QNTRWESRCJUEBO-UHFFFAOYSA-N 428.514 2.329 10 10 IECE CCOCc1nnc(N2CCC[C@@H](C(N)=O)C2)n1Cc1ccc(N2CCSCC2)cc1 1297209808 VIWFQFWFLRTAMH-GOSISDBHSA-N 444.605 2.118 10 10 IECE Cc1ccc(C(=O)N2CCS(=O)(=O)[C@H]3COCC[C@H]32)cc1-n1c(C)cc(C=O)c1C 1299147972 DHHRYWJITRBRDQ-CTNGQTDRSA-N 430.526 2.243 10 10 IECE Cc1ccc(S(=O)(=O)N[C@H](C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)[C@H](C)O)cc1 1299479131 UHJLUJAJJRRLOJ-SPEDKVCISA-N 447.601 2.145 10 10 IECE COc1ccc(N2CCN(C[C@@H](O)CN[C@H]3c4sccc4OC(C)(C)[C@@H]3O)CC2)cc1 1307790624 HFCMZAAKGRDHEU-RBDMOPTHSA-N 447.601 2.102 10 10 IECE C[C@H]1CN(c2ccc(CNC(=O)[C@H]3CN(C(=O)C(C)(C)C)CCO3)cc2F)C[C@@H](C)O1 1350934095 YCZBQNPPZZPQRA-GQIGUUNPSA-N 435.540 2.329 10 10 IECE O=C(CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)NC[C@H](O)C1CCOCC1 1445710009 NHGJJQQNJRBWNJ-KTZOAPACSA-N 438.546 2.321 10 10 IECE CC(C)(CNC(=O)CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)S(C)(=O)=O 1457018599 JHZLRIJFUOUGAF-GXDHUFHOSA-N 444.575 2.356 10 10 IECE CCN(CC)c1ccc(CNC(=O)[C@H](CC(N)=O)NC(=O)c2ccccc2F)cc1F 1465007302 QWZKGMAVPMUJOP-SFHVURJKSA-N 432.471 2.101 10 10 IECE O=C(CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)N1CCCn2nncc2C1 1538121333 IEBSSVXQIFMJFP-MHWRWJLKSA-N 431.518 2.441 10 10 IECE CCOC(=O)N1CCC[C@@H]([C@H](C)NC(=O)NCc2ccc(N3CCN(C)CC3)cc2)C1 1564587606 LPKLBUVDTRWEGT-AZUAARDMSA-N 431.581 2.495 10 10 IECE COCc1noc(CN2CCN(C(=O)c3ccccc3-n3c(C)cc(C=O)c3C)CC2)n1 1567690383 RCRWFUYCUOOUDA-UHFFFAOYSA-N 437.500 2.394 10 10 IECE COc1c[nH]c(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)cc1=O 1586619967 PUMORRVHRONPSQ-QGZVFWFLSA-N 430.505 2.445 10 10 IECE CC(C)Cc1nnc(N(C)Cc2ccc(N3CCOCC3)cc2)n1CC(=O)NCC1CC1 1603301751 DKRMWQXHWWQEAS-UHFFFAOYSA-N 440.592 2.476 10 10 IECE 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COc1ccc(N2CCN(C(=O)/C=C\C(=O)N[C@]3(CO)CCCC(C)(C)C3)CC2)cc1 1557537234 AHOQSHHGANUVCA-OPSAWKISSA-N 429.561 2.348 10 10 IECE CN(C)c1ccc([C@@H](CNC(=O)c2nnn(C(C)(C)C)n2)NC(=O)OC(C)(C)C)cc1 1565881740 HNVJPILUUYGGNH-MRXNPFEDSA-N 431.541 2.490 10 10 IECE CC[C@]1(O)C[C@@H](OC)c2c(cc3c(c2O)C(=O)c2c(O)ccc(O)c2C3=O)[C@@H]1C(=O)OC 1615947292 DHTMFQZHDPPARF-USRYEYIWSA-N 442.420 2.068 10 10 IECE CC(=O)N1CCN(c2ccc(CNC(=O)Cc3cncn3Cc3ccccc3)cc2)CC1 1616252897 XPUWINCXZJCQDR-UHFFFAOYSA-N 431.540 2.459 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NCc3cccnc3N3CCCC3)CC2)cc1 1641223851 CBLIXTOIFXPTKD-ZHACJKMWSA-N 449.555 2.212 10 10 IECE C[C@@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)O1 1648217527 BIHIVYGOTDYTJT-HOYKHHGWSA-N 446.592 2.469 10 10 IECE COC(=O)Nc1cccc(CNC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)c1 1682416794 RJNYAOUDZWENQQ-UHFFFAOYSA-N 446.529 2.099 10 10 IECE COc1ccc(N2CCN(c3nnc(-c4cnccn4)n3C[C@H](C)N(C)C)CC2)cc1F 1748849541 SXDDRVYYCXVISG-INIZCTEOSA-N 440.527 2.160 10 10 IECE C[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(N(C)C)c(F)c2)CC(=O)N1C 1752351056 ZJYKFKQWMNXFLB-DNVCBOLYSA-N 430.528 2.440 10 10 IECE COc1ccc(NC(=O)CSc2nc(-c3ccco3)nc3cc(=O)[nH]n23)cc1OC 15732626 QQWGOQFHQDNBDX-UHFFFAOYSA-N 427.442 2.426 10 10 IECE O=C(/C=c1\[nH]c(=O)/c(=C/c2ccc(N3CCOCC3)cc2)s1)c1ccc(Cl)cc1 102971113 PEMVVJQBQDEJES-IWXNDQKYSA-N 426.925 2.419 10 10 IECE CCN1CCN(c2ccc(CNC(=O)[C@H](NC(=O)c3ccccn3)C(C)C)cc2F)CC1 730194026 IEPGPHNOXYGNNE-JOCHJYFZSA-N 441.551 2.433 10 10 IECE Cn1ncnc1COc1ccc(S(=O)(=O)Nc2cccc(N3CCOCC3)c2)cc1 746592117 UNMZOEYPLDUFFT-UHFFFAOYSA-N 429.502 2.032 10 10 IECE Cc1cc(C(=O)CN2CCn3c(CO)nnc3C2)c(C)n1-c1ccc(OC(F)F)cc1 750053131 LOMFCPHVBRYHPF-UHFFFAOYSA-N 431.443 2.478 10 10 IECE C[C@@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)N1CCS(=O)(=O)C(C)(C)C1 756907865 RIYGAWBURHOICJ-AWEZNQCLSA-N 440.521 2.298 10 10 IECE C[C@H](OC(=O)[C@]1(C)CCC(=O)NC1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 798777071 DIPSUMHAYKGJEI-RKNYENMMSA-N 434.448 2.249 10 10 IECE 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CCOC(=O)CNC(=O)C1CCN(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)CC1 1478840552 DKMYNRBFWPHYQU-QGZVFWFLSA-N 432.565 2.093 10 10 IECE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@H](C)c3cccc(F)c3)CC2)cc1 1527893151 YJSKJMFPJYKCRV-QGZVFWFLSA-N 449.548 2.206 10 10 IECE CCOc1ccc(N2CCN(C(=O)CN3C(=O)NC4(CCC(C)CC4)C3=O)CC2)cc1 1596733237 OLWQJHNLKQMEHT-UHFFFAOYSA-N 428.533 2.235 10 10 IECE CCCN1C[C@@H](CNC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)CC1=O 1630284114 MXJCZZYTMJISHV-CYBMUJFWSA-N 437.543 2.243 10 10 IECE COCCO[C@H](C)c1nnc(Nc2cnn(C)c2)n1Cc1ccc(N2CCOCC2)cc1 1770070597 QZAFLLHXAGPLQM-QGZVFWFLSA-N 441.536 2.364 10 10 IECE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)c3cc(C)[nH]n3)CC2)cc1 1868759012 KTNVZPQAEFWKQO-HSZRJFAPSA-N 447.539 2.417 10 10 IECE O=C(O)[C@@H]1CCCCN1C(=O)CN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S 2296885065 ACSYYOFLXJNDKI-LBPRGKRZSA-N 434.495 2.082 10 10 IECE COc1ccc(OC)c(N2C(=O)NC(=O)C(=Cc3ccc(N4CCOCC4)cc3)C2=O)c1 2297553904 OFYGDQRRBJPHOG-UHFFFAOYSA-N 437.452 2.207 10 10 IECE CC(/C=C1\SC(=S)N([C@@H]2CC(=O)N([C@H](C)C(=O)O)C2=O)C1=O)=C\c1ccccc1 15051130 XAPKTVCBCKHPFJ-JWDGOYPCSA-N 430.507 2.435 10 10 IECE COc1ccc(N2CCN(c3ncc(C(=O)NCc4ccccc4OC)c(N)n3)CC2)cc1 65154744 AZTIVZCWJJSZOP-UHFFFAOYSA-N 448.527 2.333 10 10 IECE Cc1ccc(N2C(=O)NC(=O)/C(=C\c3c[nH]n4c(=O)c5ccccc5nc34)C2=O)cc1C 104750190 FHMUCBKUNDEPHQ-LICLKQGHSA-N 427.420 2.459 10 10 IECE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1 109906198 APGLJUQYVQRWRZ-LJQANCHMSA-N 449.598 2.396 10 10 IECE CC(C)(C)OC(=O)N1CCN(C(=O)CNCc2cc(Br)cc(F)c2O)CC1 715712822 LYOARTDYRGVKTL-UHFFFAOYSA-N 446.317 2.463 10 10 IECE O=C([C@@H]1CN(C(=O)/C=C\c2cnc3ccccc3n2)c2ccccc2O1)N1CCOCC1 733657883 PLPCKLMBADGCMN-DYYZXQNHSA-N 430.464 2.296 10 10 IECE Cc1cc(C(=O)CN2CCC[C@H](CS(N)(=O)=O)C2)c(C)n1-c1ccc2c(c1)OCO2 733997905 WFNDZINAHBYFQD-INIZCTEOSA-N 433.530 2.006 10 10 IECE CCn1nc2c(cc1=O)CN(C(=O)NCc1ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c1)CC2 752895284 RCMGAQQPDQNDGC-IYBDPMFKSA-N 443.523 2.284 10 10 IECE 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2.481 10 10 IECE C[C@@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)N1C(=O)c2cccnc2C1=O 1866243493 MBNWUKIQEGNDRI-LBPRGKRZSA-N 425.400 2.480 10 10 IECE COc1ccc(C=C2SC(=S)N(NC(=O)c3cccnc3)C2=O)c(C(=O)O)c1OC 2314930064 WWWXMSHGNXEOLV-UHFFFAOYSA-N 445.478 2.343 10 10 IECE COc1ccccc1N1C(=O)NC(=O)/C(=C\NC2CCN(Cc3ccccc3)CC2)C1=O 2197903 NAHHIUHCXWMYMH-XDJHFCHBSA-N 434.496 2.416 10 10 IECE CCN1CCN(c2c(/C=C3/SC(=S)N(CC)C3=O)c(C)c(C#N)c(=O)n2CC)CC1 33478243 KMOFMGJNGKSQLM-SFQUDFHCSA-N 445.614 2.411 10 10 IECE COc1ccc(N2CCN(C(=O)[C@H]3CCCN(c4ccc(-n5ccnc5)nn4)C3)CC2)cc1 62164551 RCSZWRFFBFHXML-IBGZPJMESA-N 447.543 2.236 10 10 IECE O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(-n2cnnn2)cc1Cl 729523637 UKXRPMKMNMNQRQ-UHFFFAOYSA-N 426.908 2.454 10 10 IECE C[C@@H](C(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(S(=O)(=O)N(C)C)cc1 752293059 SMHCLUNOCYPHBN-MRXNPFEDSA-N 449.548 2.333 10 10 IECE O=C(NCc1ccc(N2CCN(CC3CC3)CC2)cc1)N[C@@H]1CCCN(c2ncccn2)C1 768702830 WDMMUMDUQNULGX-JOCHJYFZSA-N 449.603 2.477 10 10 IECE CCN1CCN(c2cccc(NS(=O)(=O)c3ccc(S(=O)(=O)CC)cc3)c2)CC1 769848194 MNZFLXBTRWMRCQ-UHFFFAOYSA-N 437.587 2.423 10 10 IECE COc1ccc(N2CCN(c3nnc([C@H]4COCCO4)n3C[C@@H]3CCCO3)CC2)cc1F 802691302 OOHCBGSYFQIQSW-FXAWDEMLSA-N 447.511 2.019 10 10 IECE O=C(NCCS(=O)(=O)NCc1ccccc1)NCc1cc(Br)ccc1O 806450783 WDVMNONSKAYQOW-UHFFFAOYSA-N 442.335 2.074 10 10 IECE NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)NCc1ccc(N2CCCC2)cc1 1141537872 FBPZLPGOZGTYLT-NRFANRHFSA-N 438.528 2.464 10 10 IECE COC1(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccccc2O)CCC1 1299792386 XLKJIVDONVNPNA-KRWDZBQOSA-N 434.562 2.481 10 10 IECE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C)C2)n1Cc1ccc(N2CCOCC2)cc1 1302108700 QLTJFDUNPHCVPU-OALUTQOASA-N 445.564 2.112 10 10 IECE COC[C@@H](NCC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)C1CCOCC1 1307924179 OBHIBJQYSQCKQX-LLGFUMIMSA-N 437.556 2.087 10 10 IECE CCOCCN(C)c1nnc(CN2CCCC2=O)n1Cc1ccc2c(c1)CCCN2C 1314470636 RXQAIUZLOWNMPT-UHFFFAOYSA-N 426.565 2.304 10 10 IECE CCOC(=O)CNC(=O)C1CCN(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)CC1 1478840550 DKMYNRBFWPHYQU-KRWDZBQOSA-N 432.565 2.093 10 10 IECE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N1CCO[C@H](Cc2ccccc2)C1 1478945129 MUPVOVZVLIWSRV-JOCHJYFZSA-N 443.569 2.075 10 10 IECE C[C@H]1CN(c2nnc([C@H]3CCCOC3)n2CCCSc2nccs2)CC(=O)N1C 1512455799 OGSNJQLQLFENKW-GJZGRUSLSA-N 436.607 2.478 10 10 IECE COC[C@H](C)Cn1c(-c2cnccn2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1518695897 FIEMPANPOTUUHC-GOSISDBHSA-N 437.548 2.491 10 10 IECE O=C(CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)NCCN1CCCOCC1 1556266939 ZTBUASFXHYQKTO-VKAVYKQESA-N 437.562 2.256 10 10 IECE Cn1ccnc1C[C@H]1CCCN(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)C1 1565363410 OTPUJEFHMZBBFW-LJQANCHMSA-N 438.576 2.286 10 10 IECE NC(=O)[C@H]1CCN(c2nnc(Cc3ccccn3)n2CCCSc2nccs2)C1 1620363704 CDZLTOWEASMEQI-AWEZNQCLSA-N 429.575 2.214 10 10 IECE CCOC(=O)CN(Cc1ccccc1O)C(=O)CN1C(=O)NC2(CCC(CC)CC2)C1=O 1627013836 LBHLFFVTIKGIQH-UHFFFAOYSA-N 445.516 2.175 10 10 IECE Cn1ccnc1[C@H]1C[C@H](NC(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)CCO1 1635997141 ZHQLAZSHPKGTBG-CRAIPNDOSA-N 435.475 2.254 10 10 IECE COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)OCc3ccccc3)C2)cc1 1640266250 SMBFQQBGJYQSHT-UZKOGDIHSA-N 439.512 2.162 10 10 IECE CN(C)c1ccc([C@@H](CNC(=O)CN2C(=O)Cn3c(cc4ccccc43)C2=O)N(C)C)cc1 1648478050 OKNPTGDDIMWABU-JOCHJYFZSA-N 447.539 2.109 10 10 IECE COc1ccc(N2CC[C@@H](CNC(=O)N3CCN(c4cc(OC)ccn4)CC3)C2)cc1 1682188313 NJVYFRIZSBVIJQ-SFHVURJKSA-N 425.533 2.457 10 10 IECE CCOCCN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCSCC2)cc1 1696415871 RAUPDFIYJRMCAX-IBGZPJMESA-N 444.605 2.303 10 10 IECE COc1ccc(N2CCN(c3nnc(-c4cnccn4)n3C[C@H](C)OC)CC2)cc1F 1730180011 IJRHBCLAJGINER-HNNXBMFYSA-N 427.484 2.244 10 10 IECE CC(=O)N1CCC[C@H](Cn2c(C)nnc2N(C)Cc2ccc(N3CCOCC3)cc2)C1 1760589137 DKPOVIYHYDGYJY-NRFANRHFSA-N 426.565 2.318 10 10 IECE CC(C)c1nnc(N(C)Cc2ccc(N3CCOCC3)cc2)n1CC(=O)NCC1CC1 1760895954 XIIJYNBAEUULBW-UHFFFAOYSA-N 426.565 2.401 10 10 IECE CC[C@H](Oc1cccc(/C=C2/SC(=S)N([C@H](CC(=O)O)C(=O)O)C2=O)c1)C(=O)O 1772763140 NAASIPUUQSRRDV-FPAFNPANSA-N 439.467 2.058 10 10 IECE CN1CCN([C@@H](CNS(=O)(=O)c2cccc(F)c2)c2ccc3c(c2)CCCN3C)CC1 22735580 UGHQNKAPHRVXNE-QHCPKHFHSA-N 446.592 2.475 10 10 IECE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 731875243 XEPLMPRPVJSOIS-SFHVURJKSA-N 442.472 2.288 10 10 IECE COC(=O)c1cc2ccccc2c(CN2[C@H]3CC[C@H]2[C@H](C(=O)OC)[C@@H]3C(=O)OC)c1O 747832012 LTHXJFVKXUOEMT-CADBVGFASA-N 427.453 2.257 10 10 IECE COCCN1CCC[C@H]1CNC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 748039335 ZGXUBTHITBLJMS-HNNXBMFYSA-N 439.559 2.095 10 10 IECE O=C1COc2cc([N+](=O)[O-])c(N3CCN([C@@H](CO)c4ccc(Cl)cc4)CC3)cc2N1 761898973 RUCWUDOMZFSMKM-SFHVURJKSA-N 432.864 2.435 10 10 IECE COC(=O)Nc1cc(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)ccc1F 1130979768 FJQYCCSAUGTMJL-UHFFFAOYSA-N 435.477 2.169 10 10 IECE COc1ccc(N2CC[C@H](CNC(=O)CNS(=O)(=O)c3ccc(Cl)cc3)C2)cc1 1142797671 GFDIPTNVDTUTDO-OAHLLOKOSA-N 437.949 2.270 10 10 IECE CCOCc1nnc(N2C[C@@H]3CCC(=O)N[C@@H]3C2)n1Cc1ccc(N(CC)CC)cc1 1297114828 XKRNMXPRJFBPNX-AZUAARDMSA-N 426.565 2.424 10 10 IECE CCOCc1nnc(N2CC[C@@H]3NC(=O)OC[C@H]3C2)n1CCCSc1nccs1 1314413728 YDAMWDBOYUCBFD-KGLIPLIRSA-N 438.579 2.388 10 10 IECE O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)NCc1cc(F)c(N2CCOCC2)c(F)c1 1451054666 CYQQQJPZJWNCBV-UHFFFAOYSA-N 448.861 2.425 10 10 IECE COc1cc(N2CCN(C(=O)c3ccc(S(C)(=O)=O)s3)CC2)cc(OC)c1OC 1514837772 GJEFUSUKEBTQFW-UHFFFAOYSA-N 440.543 2.140 10 10 IECE O=S1(=O)CCN(c2nnc(-c3ccccn3)n2CCCSc2nccs2)CC1 1521554678 LQDJOYXOCPRBOM-UHFFFAOYSA-N 436.588 2.214 10 10 IECE CC1(c2ncc(C(=O)NCc3cc(F)c(N4CCOCC4)c(F)c3)s2)OCCO1 1638688265 HUEHLVANOWHMAK-UHFFFAOYSA-N 425.457 2.407 10 10 IECE O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)NCCN1CCNC1=S 1641032139 AVLJONDEOFCFBI-ACCUITESSA-N 440.641 2.036 10 10 IECE NC(=O)C1CCN(c2ccc(CNC(=O)c3nn(-c4cccc(F)c4)cc3O)cc2)CC1 1645592388 WKRRJMKXFNVKTO-UHFFFAOYSA-N 437.475 2.349 10 10 IECE CN(Cc1ccc(N2CCCC2)cc1)C(=O)N[C@H]1CCCN(CCN2CCOCC2)C1 1675542485 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10 10 IECE O=C(Nc1ccccn1)c1nnc(N2CCOCC2)n1CCCSc1nccs1 1556019480 XFSOUMUKSBOLOY-UHFFFAOYSA-N 431.547 2.401 10 10 IECE Cc1nnc(N2CCC(NS(C)(=O)=O)CC2)n1Cc1ccc(N2CCC(C)CC2)cc1 1612570676 CNTBLVVJPLCSBC-UHFFFAOYSA-N 446.621 2.389 10 10 IECE COc1ccc(N2CC[C@@H](CNC(=O)Cc3c(C)nc(-c4ncccn4)nc3O)C2)cc1 1627163837 XTBMGJJQLQJXAU-INIZCTEOSA-N 434.500 2.141 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3Cc4c[nH]nc4CC(C)(C)C3)CC2)cc1 1630695267 NSRABNAYLLVUTN-CMDGGOBGSA-N 437.544 2.234 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NCCc3ccc(C(C)=O)cc3)CC2)cc1 1631432462 YSRQEURUPIOAFR-VAWYXSNFSA-N 435.524 2.462 10 10 IECE NC(=O)C1CCN(c2ccc(CNC(=O)[C@@H]3CCN(Cc4ccccc4)C3=O)cc2)CC1 1634974423 RVOVZIDVUYSJTI-QFIPXVFZSA-N 434.540 2.053 10 10 IECE COC(=O)CN(Cc1cc(Cl)ccc1O)C[C@H](O)COc1ccc2c(c1)CCC(=O)N2 1653612013 VOLSQRTXJGCOKR-KRWDZBQOSA-N 448.903 2.345 10 10 IECE Cc1nnc(N2CCN3C(=O)N(CC(C)C)C[C@H]3C2)n1Cc1ccc(N(C)C)c(F)c1 1726410722 SNKFKLIINWVGKD-GOSISDBHSA-N 429.544 2.422 10 10 IECE CCc1nnc(N2CCC(CC(=O)N(C)C)CC2)n1Cc1ccc(N2CCOCC2)cc1 1727548880 KUUGIQZHPDWHRH-UHFFFAOYSA-N 440.592 2.420 10 10 IECE COC(=O)[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(N(C)C)c(F)c2)C1 1729773452 SDIBFEJKEUOCKN-SJORKVTESA-N 431.512 2.425 10 10 IECE CC[C@@H](C)c1nnc(N2CCN(c3ccc(OC)c(F)c3)CC2)n1Cc1ncn(C)n1 1763747244 DDCSXXAJXOINMP-OAHLLOKOSA-N 428.516 2.443 10 10 IECE CCCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCCO)=C(N)O2 1864013902 IQLJYDJLOHRPFA-GOSISDBHSA-N 444.532 2.240 10 10 IECE CCCCN1C(=O)C(=Cc2c(N3CCN(C)CC3)nc3ccccn3c2=O)SC1=S 2053493186 AXPDACFYRIGESK-UHFFFAOYSA-N 443.598 2.448 10 10 IECE COc1ccc(N2CCN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)OCc3ccccc3)CC2)cc1 727765057 CPIIINDISASRLJ-IRLDBZIGSA-N 439.512 2.116 10 10 IECE CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)[C@H]1CSCN1C(=O)C1CCCC1 730315587 RCXCPRCVWSULKY-LJQANCHMSA-N 433.574 2.346 10 10 IECE CN1CCN(C(=O)CC2CCN(C(=O)NCc3ccc(N4CC=CC4)cc3)CC2)CC1 741091818 CLCWWNMSKOQOGG-UHFFFAOYSA-N 425.577 2.149 10 10 IECE COc1cc(N2CCN(S(=O)(=O)c3ccc4c(c3)N(C)CC4)CC2)cc(OC)c1OC 759103574 SYMIDVVDOIPKKI-UHFFFAOYSA-N 447.557 2.216 10 10 IECE CCCc1ccc([C@@H](C)N(CC(N)=O)C(=O)c2cc(NS(C)(=O)=O)ccc2O)cc1 769721174 ZNRYOWKVCLUMAS-CQSZACIVSA-N 433.530 2.405 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C/C(=O)Nc3ccc(OCCO)c(C)c3)CC2)cc1 782848906 MULHTBCGWKATDD-MDZDMXLPSA-N 439.512 2.218 10 10 IECE C[C@H](NC(=O)C(=O)N(C)[C@@H](C)Cc1ccc(O)cc1)c1ccc(N2CCOCC2)cc1 803303868 VNABGKRXQUXNJA-ROUUACIJSA-N 425.529 2.496 10 10 IECE COc1ccc(N2CCN(CCNC(=O)C(=O)N[C@H]3CCCc4sccc43)CC2)cc1 803749207 FLUNYOFQXUOHRM-FQEVSTJZSA-N 442.585 2.189 10 10 IECE CN(C)c1ccc([C@@H](CNC(=O)c2ccc(N3CCC[C@H](C(N)=O)C3)cc2)N(C)C)cc1 1134681994 PNRSGGIZVICUNM-NZQKXSOJSA-N 437.588 2.487 10 10 IECE COc1ccc(N2CCN(C[C@H](O)CN(C)CCc3ccc4c(c3)OCO4)CC2)cc1 1197836341 ACRIWBOVQSSKGY-OAQYLSRUSA-N 427.545 2.081 10 10 IECE Cn1cccc1-c1nnc(N2CCS(=O)(=O)CC2)n1CCCSc1nccs1 1298864572 LKYUURWQRAKWMY-UHFFFAOYSA-N 438.604 2.157 10 10 IECE CNC(=O)CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCN(C(C)=O)CC1 1517583190 FCIVBEXHIZJKQO-UHFFFAOYSA-N 449.559 2.157 10 10 IECE CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)[C@H]2CC(=O)N(c3cnn(C)c3)C2)cc1 1544529955 QPGSDQQUKBPKPG-GHTZIAJQSA-N 425.533 2.047 10 10 IECE Cc1cccc(N2C(=O)N[C@@H](CCC(=O)NCc3ccc(N4CCN(C)CC4)cc3)C2=O)c1 1583476032 QTPBWHVGKNLABA-QFIPXVFZSA-N 449.555 2.268 10 10 IECE Cc1c(C(=O)NCc2cc(C)n(-c3ccccc3)c2C)cnc2c1c(=O)n(C)c(=O)n2C 1596483895 XTGJFIXVCFWQRI-UHFFFAOYSA-N 431.496 2.278 10 10 IECE CS(=O)(=O)Nc1ccc(O)c(C(=O)NC2(c3ncc(Br)cn3)CCC2)c1 1597133368 GHIDSLMIYJSAAU-UHFFFAOYSA-N 441.307 2.125 10 10 IECE CCc1nnc(N(C)Cc2ccc(N3CCOCC3)cc2)n1C[C@H]1CCOC[C@H]1OC 1613921488 YNGRZEQXQOYCMM-TZIWHRDSSA-N 429.565 2.365 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C\C(=O)Nc3cccnc3-c3cnn(C)c3)CC2)cc1 1637246915 PBQKJORRCXSWQW-KTKRTIGZSA-N 446.511 2.334 10 10 IECE COc1ccc(-n2c(C)cc(C(=O)N3Cc4nnc(C)n4C[C@@H]3C(=O)N(C)C)c2C)cc1 1647802223 ZOROMOMYZIGBEF-HXUWFJFHSA-N 436.516 2.115 10 10 IECE O=C(CN(C[C@@H]1CCCO1)[C@@H]1CCSC1)NCc1ccc(N2CCOCC2)c(F)c1 1653154523 VWHFODJOGSTYNC-MOPGFXCFSA-N 437.581 2.265 10 10 IECE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)NC[C@@]1(c2ccccc2)CCCO1 1683735028 XEAJLWJGQQLEGB-HSZRJFAPSA-N 443.569 2.427 10 10 IECE Cc1nnc(N(C)Cc2ccc(N3CCCC3)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1693461029 NPSYXPBHJZBLAB-HXUWFJFHSA-N 432.594 2.247 10 10 IECE Cc1nnc(N(C)Cc2ccc(N3CCOCC3)cc2)n1C[C@H](C(C)C)N1CCOCC1 1726354478 IROACROAGDQTFF-HSZRJFAPSA-N 442.608 2.416 10 10 IECE CCOCc1nnc(N2CC[C@@H](NC(=O)NC3CC3)C2)n1Cc1ccc(N(C)C)c(F)c1 1747119228 BVHBKMSSFGITQU-QGZVFWFLSA-N 445.543 2.108 10 10 IECE CCc1nnc(N(C)Cc2ccc(N3CCCC3)cc2)n1CCN1CCN(C(C)=O)CC1 1762863959 DAXLVKGWQDKMSL-UHFFFAOYSA-N 439.608 2.241 10 10 IECE CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1764389160 QEXOLHKXBIJVPN-QGZVFWFLSA-N 433.578 2.316 10 10 IECE Cc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC1)=C(N)O2 1865026913 SVJXVBXJFYONRI-LJQANCHMSA-N 433.468 2.304 10 10 IECE CCN(CC)CCN1C(=O)C(=C2SC(=S)N(CCC(=O)O)C2=O)c2ccccc21 2326945115 MTIJSAWQJCSYKO-UHFFFAOYSA-N 433.555 2.421 10 10 IECE C[C@@H]1Oc2ccc(S(=O)(=O)Nc3sc4c(c3C(N)=O)CC[C@@H](C)C4)cc2NC1=O 71555647 RJJQDBBQCZZCNV-ZJUUUORDSA-N 435.527 2.492 10 10 IECE CC1(C)OC(=O)C(=CN[C@H](Cc2ccccc2)C(=O)Nc2ccc([N+](=O)[O-])cc2)C(=O)O1 100751484 IWTSUGWNTGHYJS-GOSISDBHSA-N 439.424 2.454 10 10 IECE CS(=O)(=O)NCCN1C(=O)/C(=C/c2cccc(OCC(F)(F)F)c2)SC1=S 727177176 XDNZXWCEJXDHPV-WQLSENKSSA-N 440.490 2.378 10 10 IECE NS(=O)(=O)c1c(NCc2ccc(N3CCN(CC4CC4)CC3)cc2)cccc1[N+](=O)[O-] 768527336 HNQOJZWPGVQCPJ-UHFFFAOYSA-N 445.545 2.386 10 10 IECE C[C@H](Cc1ccc(O)cc1)N(C)C(=O)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 789811753 HBDRIFZSJJKQRU-MRXNPFEDSA-N 429.492 2.074 10 10 IECE O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]12)NCc1cc(Br)ccc1O 804735785 FNAJSSLQOOQRDW-DUVNUKRYSA-N 428.352 2.497 10 10 IECE O=C(NCc1ccc(O)c(O)c1)[C@H]1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@H]43)[C@H]12 813488776 FQDJABRAKPVHDM-TWYDNZCESA-N 444.487 2.193 10 10 IECE COc1ccc(N2CCN(C(=O)c3ccc(F)c(S(=O)(=O)NC(C)C)c3)CC2)cc1 914710647 GOLXWSSASQEQCF-UHFFFAOYSA-N 435.521 2.483 10 10 IECE COC(=O)[C@H](CNC(=O)Cn1c2c(c3ccccc31)CN(C(C)C)CC2)[C@@H]1CCOC1 1159771632 JSTOZJRFLXYJLQ-IEBWSBKVSA-N 427.545 2.350 10 10 IECE O=C(NC[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1)N1Cc2cccc(O)c2C1 1227788684 HLDIPXCYVNRODK-SFHVURJKSA-N 427.476 2.274 10 10 IECE CCN(C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@@H](CO)c1ccccc1 1312985153 YMDPYQAGBYKLJQ-NRFANRHFSA-N 431.558 2.187 10 10 IECE COc1ccc(N2CCN(CCCNC(=O)[C@@](C)(OC)C(=O)OC(C)(C)C)CC2)cc1 1353707440 RNYCVFYOIWYMCF-HSZRJFAPSA-N 435.565 2.070 10 10 IECE CCN(c1nnc(C(C)C)n1Cc1ccc(N2CCOCC2)cc1)[C@H]1CCS(=O)(=O)C1 1515377476 BTNBVGHBRKFVDM-FQEVSTJZSA-N 447.605 2.300 10 10 IECE COc1cc(N2CCN(C(=O)[C@@H](C)N3Cc4ccccc4C3=O)CC2)cc(OC)c1OC 1521837766 YHHNRJQBMVERSW-MRXNPFEDSA-N 439.512 2.406 10 10 IECE CN1CCN(c2nnc(Cc3ccncc3)n2CCCSc2nccs2)CC1=O 1554363689 UKLMEDVPCKGAJO-UHFFFAOYSA-N 429.575 2.181 10 10 IECE COc1ccc(N2CC[C@H](CNC(=O)CNS(=O)(=O)c3ccc(C)c(C)c3)C2)cc1 1557133780 XGPKMZTUPNNJGP-GOSISDBHSA-N 431.558 2.233 10 10 IECE CC(C)c1nnc(N(C)[C@@H](C)CC(N)=O)n1Cc1ccc(N2CCC(CO)CC2)cc1 1598386141 JQXSVTINEJIDNQ-KRWDZBQOSA-N 428.581 2.359 10 10 IECE CC[C@H](C)c1nnc(N2CC(=O)N(C)C[C@@H]2C)n1Cc1ccc(N2CCOCC2)c(F)c1 1613198153 QWZSEIQHIWXEBE-IRXDYDNUSA-N 444.555 2.483 10 10 IECE CN(C)c1ccc([C@H](CNC(=O)C[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)N(C)C)cc1 1647139399 HZLOPGHRBSDGED-WMZHIEFXSA-N 434.581 2.234 10 10 IECE CN(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C 1653421702 OASQJSHIXTYLAK-WOJBJXKFSA-N 435.613 2.317 10 10 IECE COc1ccc(N2CC[C@H](CNC(=O)NCC(=O)NCCc3ccccc3OC)C2)cc1 1683340019 LWLNLVCEPHQLFF-GOSISDBHSA-N 440.544 2.188 10 10 IECE Cc1noc(C2(C)CCN(C(=O)NCc3ccc(N4CCC(C(N)=O)CC4)cc3)CC2)n1 1684168510 CCARZRHZTDLLQH-UHFFFAOYSA-N 440.548 2.343 10 10 IECE CN(Cc1ccccc1O)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C)C1CCCC1 1729420188 JITQNJKLQSVVQN-GOSISDBHSA-N 447.605 2.397 10 10 IECE CCN1CCN([C@H](C)Cn2c([C@H]3CCCO3)nnc2N(C)Cc2ccccc2O)CC1 1746440759 JZSMQIJWFMFGTQ-WIYYLYMNSA-N 428.581 2.498 10 10 IECE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)Nc1cccc(N2CCOCC2)c1 738903594 OIPDTAJLWXIUMN-UHFFFAOYSA-N 444.557 2.080 10 10 IECE Cc1nn(C)c(C)c1CCCNC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 774769313 IDCNDQAYCVKMMR-LJQANCHMSA-N 426.565 2.171 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C\C(=O)NCc3cnn(-c4ccccc4)c3)CC2)cc1 778222321 RZWPQHLBRODRJY-QXMHVHEDSA-N 445.523 2.402 10 10 IECE O=C(CN1CCO[C@@H](COc2ccccc2)C1)NCc1ccc(N2CCOCC2)c(F)c1 792373199 KOWPWOUYUAPAGB-OAQYLSRUSA-N 443.519 2.058 10 10 IECE COc1ccc(N2CCN(C(=O)C3=NO[C@@H](CNC(=O)OC(C)(C)C)C3)CC2)cc1F 798974897 VWVAQGBPPAKUJL-OAHLLOKOSA-N 436.484 2.153 10 10 IECE CN(C)c1cc(F)c(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1[N+](=O)[O-] 1125326432 XVOBTXIDUYMSMU-OAHLLOKOSA-N 443.479 2.432 10 10 IECE Cc1cc(C(=O)NC(C)(C)CNS(N)(=O)=O)c(C)n1-c1ccc(Br)cc1 1176780632 VXOFIIWCRMFNRR-UHFFFAOYSA-N 443.367 2.158 10 10 IECE CCc1nnc(N(C)CC(=O)NC(C)C)n1Cc1ccc(N2CCC(CO)CC2)cc1 1292818043 YJSHFKARYJRVHL-UHFFFAOYSA-N 428.581 2.058 10 10 IECE CCOCc1nnc(N2C[C@@H](C)[C@@H](N3CCOCC3)C2)n1Cc1ccc(N(C)C)cc1C 1297095371 FBQGAYUKAYKFTJ-KNQAVFIVSA-N 442.608 2.394 10 10 IECE CSC[C@H](C(=O)NCc1ccc2cccnc2c1O)N1C(=O)[C@H]2CCCC[C@H]2C1=O 1469254032 WHJKNIGGSALMTN-IXDOHACOSA-N 427.526 2.463 10 10 IECE CCN(C)C(=O)Cn1c([C@H]2CCCO2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1501437362 CYUBKMMZVSQHAT-HXUWFJFHSA-N 442.564 2.333 10 10 IECE CCS(=O)(=O)c1ccccc1CC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 1526260397 YJKTVPMOUYSGEY-IBGZPJMESA-N 443.569 2.041 10 10 IECE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCN1C(=O)CCc2cc(F)ccc21 1556102033 OSBILRFQLJBEQI-KRWDZBQOSA-N 444.459 2.197 10 10 IECE CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1CCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1 1556515949 SVDXQNKUGDKTHL-ZPHJMFTNSA-N 442.512 2.297 10 10 IECE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@@H](C[C@H]1CCCO1)C(F)(F)F 1587035162 LZHAOEOMULYBKX-IAGOWNOFSA-N 434.480 2.285 10 10 IECE 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COc1ccc(N2CCN(C(=O)CCS(=O)(=O)c3ccc(F)cc3)CC2)c(OC)c1 1623759510 GKVKYHYQFMJCOQ-UHFFFAOYSA-N 436.505 2.356 10 10 IECE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)CC[C@@H]1[C@H](C)Nc2ccnn2[C@H]1C 1638030836 QOIRFZGEPQPDLV-DIECFANBSA-N 430.505 2.356 10 10 IECE CS(=O)(=O)Nc1ccc(O)c(C(=O)NCc2cccnc2-n2cnc3ccccc32)c1 1641117554 ZUSCJCZVRSRWOP-UHFFFAOYSA-N 437.481 2.428 10 10 IECE CN1CCN(c2ccc(CNC(=O)CNC(=O)c3cnc(Cl)c(Cl)c3)cc2)CC1 1651023504 AJJCOSKQMIKPFM-UHFFFAOYSA-N 436.343 2.186 10 10 IECE CCOC(=O)c1cnn2c(O)cc(CN[C@@](C)(CO)c3cccc(Br)c3)nc12 1656418312 PIXFVBDIPOTWHF-IBGZPJMESA-N 449.305 2.371 10 10 IECE C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)NC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1686552158 JTUSHFISTQBFBJ-CVEARBPZSA-N 447.580 2.489 10 10 IECE CCOCc1nc([C@@H](C)NC(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)no1 1686649923 OWSGVZGTTRHJSM-GFCCVEGCSA-N 425.436 2.281 10 10 IECE CN(Cc1cnccn1)c1nnc(CN2CCCC2=O)n1CCCSc1nccs1 1696714116 IVVVEPAIKREIMM-UHFFFAOYSA-N 444.590 2.466 10 10 IECE CNC(=O)N1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(N(C)C)c(F)c2)CC1 1711411592 HMKXSNOMQHMWQW-IBGZPJMESA-N 445.543 2.235 10 10 IECE COCCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(N(C)C)c(F)c2)C1 1730903571 NTGAMNUADGNKQD-ZWKOTPCHSA-N 433.528 2.277 10 10 IECE CCN(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1O)C(C)C 1746325528 OPGBZNIIMSVBIK-GOSISDBHSA-N 435.594 2.253 10 10 IECE CN(CCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1O)C(=O)OC(C)(C)C 1747953340 XLVIQAYIGWPGOU-MRXNPFEDSA-N 444.536 2.438 10 10 IECE CCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccs1)=C(N)O2 1864020189 WUQHRRDEHVYMDQ-MRXNPFEDSA-N 426.498 2.466 10 10 IECE CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(CC)nn2CC)[C@H]1c1ccc(O)c(O)c1 1865035648 YPFXWBBYHVEOTB-GOSISDBHSA-N 444.532 2.192 10 10 IECE CCN(CC)S(=O)(=O)c1ccc(N/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1 104218109 QKBURAIJQLWWQV-NBVRZTHBSA-N 442.497 2.296 10 10 IECE COCCNC(=O)CN1CCN(C(=O)/C=C\c2cc(C)n(-c3ccc(C)cc3)c2C)CC1 211964142 FPDXDKLINPNGAU-YFHOEESVSA-N 438.572 2.323 10 10 IECE 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CCCc1ccc(OCC(=O)NCC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1862203685 NGLXUQNUFBDALV-UHFFFAOYSA-N 425.529 2.492 10 10 IECE CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC)=C(N)O2 1864022445 WZAXLNHTMCFBKC-SFHVURJKSA-N 444.532 2.360 10 10 IECE CCOc1cc(C=C2C(=O)NC(=O)N(CCc3ccccc3)C2=O)ccc1OCC(=O)O 2297366671 ARKJDBSSXXKJDT-UHFFFAOYSA-N 438.436 2.253 10 10 IECE CCOCCCN1C(=O)/C(=C\c2c(NCCO)nc3c(C)cccn3c2=O)SC1=S 33363180 QVQJROKOABQXGU-NTCAYCPXSA-N 448.570 2.035 10 10 IECE COCCN(Cc1cc(Cl)cc(C(C)=O)c1O)c1c(O)nc(=O)n(CC(C)C)c1N 750038814 ZDNYJLKDTFQEEW-UHFFFAOYSA-N 438.912 2.402 10 10 IECE COc1ccc(N2CCN(CCNC(=O)c3cc(C)n(-c4nc(C)cc(C)n4)n3)CC2)cc1 763564038 MCFRMJBRAVJLMC-UHFFFAOYSA-N 449.559 2.148 10 10 IECE CNc1ncc(C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)s1 763983944 QLBGZGPXNFBCDS-UHFFFAOYSA-N 427.509 2.371 10 10 IECE COc1ccc(N2CCN(CCCNC(=O)N[C@@H](c3ccccc3)c3nc[nH]n3)CC2)cc1 782919319 UYGBTPNMPRUBMB-QFIPXVFZSA-N 449.559 2.414 10 10 IECE C[C@@H](NC(=O)C(=O)NC1CCN(c2ccccc2)CC1)c1ccc(N2CCOCC2)cc1 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10 IECE CN(Cc1ccccc1O)C(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1149872157 QXLBDHQPWDYHHF-NUJGCVRESA-N 438.546 2.021 10 10 IECE CCN1C[C@@H](CNC(=O)CCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)CC1=O 1165357129 OKHLDSQTGSUSAT-SLVCOGOPSA-N 435.546 2.402 10 10 IECE CCOCc1nnc(N2CC[C@@](C)(C(=O)NC)C2)n1Cc1ccc2c(c1)CCCN2C 1297126957 DZCJELHWPSTNPO-HSZRJFAPSA-N 426.565 2.208 10 10 IECE COc1ccc(N2CC[C@H](CNC(=O)NC[C@@H](CO)Cc3ccc(OC)c(O)c3)C2)cc1 1312903005 SAHSEVNHFSCGSS-MOPGFXCFSA-N 443.544 2.386 10 10 IECE COc1cnc(C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c(F)c1 1355341900 MTODQPBDFSFWMQ-UHFFFAOYSA-N 440.454 2.415 10 10 IECE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)C34CCC(CC3)C4(C)C)CC2)cc1 1538443867 BAZCVGMILDAWRP-UHFFFAOYSA-N 449.617 2.480 10 10 IECE NC(=O)NC1CCN(C(=O)CCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)CC1 1566090918 DKNNOQYIBHQBKS-PTNGSMBKSA-N 436.534 2.076 10 10 IECE O=C(CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)N1CC(N2CCCC2=O)C1 1597709697 YDHMZIJRUAQJQL-YBEGLDIGSA-N 433.530 2.250 10 10 IECE COc1ccc(N2CCN(CCNC(=O)C3([C@@H]4CCCCO4)CCOCC3)CC2)cc1 1631442879 MCKXDOCDGUMXID-QFIPXVFZSA-N 431.577 2.299 10 10 IECE CC(=O)N1CCN(c2ccc(CNC(=O)[C@H](Oc3ccccc3)C(C)(C)O)cc2)CC1 1632950398 QJKBIWHGHMSRLY-QFIPXVFZSA-N 425.529 2.190 10 10 IECE CC(=O)N1CCN(c2ccc(CNc3nc(N)nc(C(F)(F)C(F)(F)F)n3)cc2)CC1 1651824256 HYMCWYWEJROQSY-UHFFFAOYSA-N 445.396 2.389 10 10 IECE CC(C)(C)c1nnc(N2CC[C@H](S(C)(=O)=O)C2)n1Cc1ccc(N2CCOCC2)cc1 1691080321 QOXAPYKOTANWEC-IBGZPJMESA-N 447.605 2.084 10 10 IECE C=CCN(CCOC)c1nnc([C@H]2CCOC2)n1Cc1ccc(N2CCOCC2)c(F)c1 1705883977 BGHLMSHNUOHILZ-IBGZPJMESA-N 445.539 2.445 10 10 IECE CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCOCC2)c(F)c1)C(C)C 1709951816 IBSMVUJTHRIUNX-SFHVURJKSA-N 430.528 2.488 10 10 IECE CN(Cc1ccccc1O)c1nnc(CN2CCCC2=O)n1CCCOC1CCOCC1 1711096280 FLFRUENTQORBDH-UHFFFAOYSA-N 443.548 2.328 10 10 IECE CC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(N(C)C)cc2C)[C@H](C)C1 1741049706 OELAVRJHLDZDKI-YLJYHZDGSA-N 426.565 2.262 10 10 IECE CCOC(=O)[C@@H](CC)N1C(=O)/C(=C2\SC(=S)N(CCC(=O)O)C2=O)c2ccccc21 1860826548 HESZDTHDIIACTD-KXEGMRRWSA-N 448.522 2.421 10 10 IECE CCN(CC)CCCCNC(=O)C1=C(N)Oc2c(c(C)nn2C)[C@H]1c1ccc(O)c(O)c1 1864008921 VBOVNVYGSTZNPQ-LJQANCHMSA-N 443.548 2.073 10 10 IECE CC[C@H](C(=O)OC)N1C(=O)C(=C2SC(=S)N(CCC(=O)O)C2=O)c2ccccc21 2326944792 AXXXGZIWYIZWBM-LLVKDONJSA-N 434.495 2.031 10 10 IECE O=C1Nc2ccc([N+](=O)[O-])cc2/C1=C1/SC(=S)N(NC(=O)c2ccccc2)C1=O 40852095 DNUDMNPCQVDVFQ-YPKPFQOOSA-N 426.435 2.463 10 10 IECE COc1ccc(N2CCN(CCNC(=O)[C@H]3CSCN3C(=O)CC(C)(C)C)CC2)cc1 730074651 FHESIKXDOYNHEA-HXUWFJFHSA-N 448.633 2.271 10 10 IECE CN1CCCC[C@@H]1CN1CCN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CC1 731120231 RLSSHEIZTFAPLY-HXUWFJFHSA-N 447.599 2.098 10 10 IECE Cc1cc(C(=O)CN2CCN(CCC(=O)N(C)C)CC2)c(C)n1-c1ccc2c(c1)OCO2 760985825 SOGHIGONLDDOHG-UHFFFAOYSA-N 440.544 2.101 10 10 IECE CN1CCN(CCCCNC(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)CC1 768682909 CWSMTGKSSKCUGM-UHFFFAOYSA-N 442.652 2.045 10 10 IECE Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccc(S(N)(=O)=O)cn3)c2C)cc1 769838949 MVAACQNGSNVFHM-UHFFFAOYSA-N 427.482 2.485 10 10 IECE COCCn1c(N)c(N(Cc2ccccc2)C(=O)/C=C\c2cncc(C)c2)c(O)nc1=O 772016396 CWHJDYWGPBNAGL-HJWRWDBZSA-N 435.484 2.128 10 10 IECE COc1ccc(N2CCN(CCNC(=O)C(=O)N[C@H](C)[C@H](C)c3ccccc3)CC2)cc1 803748944 DGWOTLATTWFGKX-VQTJNVASSA-N 438.572 2.242 10 10 IECE CN(Cc1ccc(N(C)C)cc1)C(=O)CN1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 805786852 DDNXXIOHQQYYKD-UXHICEINSA-N 436.556 2.220 10 10 IECE CCOC(=O)c1cnn2c(O)cc(CN3CCC(C(=O)N4CCc5ccccc54)CC3)nc12 920762534 YWZJJNSZCYZJSE-UHFFFAOYSA-N 449.511 2.413 10 10 IECE COc1ccc2c(c1)c1c(n2CC(=O)N2CCN(CC(=O)NC(C)C)CC2)CCCC1 1264254430 OWJRONPJWPMPJF-UHFFFAOYSA-N 426.561 2.198 10 10 IECE CCO[C@@]1(c2nnc(N(C)Cc3ccccc3O)n2CCCC(=O)N(C)C)CCOC1 1296548061 ZRSKDGYRJBXCRT-QFIPXVFZSA-N 431.537 2.141 10 10 IECE COCCn1c(Cc2ccncc2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1316107828 FLKQIBBOHIVQOR-UHFFFAOYSA-N 426.496 2.385 10 10 IECE COCCn1cc(N2C[C@@H](C(=O)Nc3sc4c(c3C(=O)OC)CCCC4)CC2=O)cn1 1352682739 HUYLTBFGRMDILJ-ZDUSSCGKSA-N 446.529 2.248 10 10 IECE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1c2ccccc2C(=O)OC1(C)C 1447343558 CLWPBWUNULXHHX-LPHOPBHVSA-N 427.453 2.421 10 10 IECE O=C(CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)N1CC[C@H](N2CC[C@@H](O)C2)C1 1449065820 IDAFDFVJPULDJB-JMDKGTDFSA-N 449.573 2.085 10 10 IECE CCn1c(=O)n(CC(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)c2ccccc21 1460742292 SJVSMBPDZWEQME-UHFFFAOYSA-N 430.455 2.254 10 10 IECE CC[C@H](C)c1nnc(N2CCNC(=O)CC2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1513057080 CLPDSRPFBZKTBD-SFHVURJKSA-N 440.592 2.375 10 10 IECE Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NC[C@H]2CCC[C@H]2NS(C)(=O)=O)cc1 1545776399 CYWGLEATODIINB-WIYYLYMNSA-N 431.558 2.283 10 10 IECE O=C(CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)NCCN1CCCOCC1 1556266938 ZTBUASFXHYQKTO-SAPNQHFASA-N 437.562 2.256 10 10 IECE CC[C@@H](O)Cn1cc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)nn1 1565884209 KPQJCNNHJDOYMD-QZTJIDSGSA-N 446.552 2.111 10 10 IECE CCOC(=O)CN(Cc1ccccc1O)C(=O)c1nn(-c2ccc(OC)cc2)cc1O 1627013754 KAQZGDPSHHBYMF-UHFFFAOYSA-N 425.441 2.498 10 10 IECE Cc1c(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)nnn1-c1cccc([N+](=O)[O-])c1 1630283511 RSFNLBHWIMGPNQ-UHFFFAOYSA-N 436.472 2.375 10 10 IECE COc1ccc(N2CCN(C(=O)C[C@]3(O)CCCN(C(=O)OC(C)(C)C)C3)CC2)cc1 1631277448 SWAFXNPPPMHBLH-HSZRJFAPSA-N 433.549 2.496 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CCO[C@](C)(C(F)(F)F)C3)CC2)cc1 1632449868 DNYZLDMLCSTVDB-DUIUGDAFSA-N 441.450 2.080 10 10 IECE CC[C@H](CNC(=O)/C=C\C(=O)N1CCN(c2ccc(OC)cc2)CC1)C(=O)OC(C)(C)C 1645008633 YCCGHLVRMFAXCH-YUIUBULTSA-N 445.560 2.384 10 10 IECE CC(C)(C)OC(=O)NC[C@@]12CC[C@H]1CCN2C(=O)c1cc(NS(C)(=O)=O)ccc1O 1646507103 MTLCSRXKISAKIZ-RBZFPXEDSA-N 439.534 2.283 10 10 IECE CCCS(=O)(=O)N1CCC(NC(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)CC1 1682188002 CZRPCPQBEHOPGD-QGZVFWFLSA-N 438.594 2.025 10 10 IECE C[C@@H](NC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1)c1nc(C(F)(F)F)no1 1685330888 HFYCQJMIGWSTBW-LLVKDONJSA-N 440.426 2.351 10 10 IECE COc1ccc(N2CCN(C)CC2)cc1NS(=O)(=O)c1ccc(N2CCCC2=O)cc1 1858034781 AGVZAFMAMWXDQR-UHFFFAOYSA-N 444.557 2.375 10 10 IECE COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCC[C@@H](CO)C2)n1 1867953164 QBYCJFLLSRMADE-LJQANCHMSA-N 441.576 2.209 10 10 IECE CN(CC(=O)c1ccc(O)c(O)c1)C(=O)CN1C(=O)C(=Cc2ccco2)SC1=S 2296563420 XXWXULACFYHBPN-UHFFFAOYSA-N 432.479 2.233 10 10 IECE O=C(COc1ccccc1/C=C1\SC(=S)N(C[C@@H]2CCCO2)C1=O)N1CCOCC1 96504888 AITRSRDCFVPYKJ-JIHKLPAASA-N 448.566 2.304 10 10 IECE CCOC(=O)[C@H]1CN([C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)CCO1 741255093 PEXHCXMPRLMZNV-IFXJQAMLSA-N 436.464 2.053 10 10 IECE CCN1CCN(c2ccc(CNS(=O)(=O)c3ccc4c(c3)N(C)CC4)cc2F)CC1 753371167 QDMILJUGTJEOML-UHFFFAOYSA-N 432.565 2.438 10 10 IECE COc1ccc(N2CCN(CCCNC(=O)NCCc3cnc(C4CC4)nc3)CC2)cc1 756091018 BBDHKGUPKWGCSC-UHFFFAOYSA-N 438.576 2.417 10 10 IECE CC(C)N1CCN(c2cccc(NS(=O)(=O)c3ccccc3S(C)(=O)=O)c2)CC1 768016270 JPCYKGVSMASIHC-UHFFFAOYSA-N 437.587 2.421 10 10 IECE 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IECE COc1ccc(N2CCN(C(=O)C3(CNC(=O)OC(C)(C)C)CC(O)C3)CC2)cc1F 1137423053 SRPYCEYFRLBLQB-UHFFFAOYSA-N 437.512 2.149 10 10 IECE C[C@H](NCC(=O)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O)c1ccccc1O 1175418101 DRXDTZGHAXLFGD-DZBQEORWSA-N 426.498 2.291 10 10 IECE COC(=O)[C@@H](NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O)c1cccnc1 1298154823 FINKOGSDXGSOHU-KRWDZBQOSA-N 447.494 2.294 10 10 IECE CCOC(=O)[C@@H]1CCCN(CC(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)C1 1446244031 SSSSKRZPONBVDZ-JOCHJYFZSA-N 442.604 2.110 10 10 IECE CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1500877783 WOOVRUXKSUMXEN-MRXNPFEDSA-N 436.582 2.024 10 10 IECE CC[C@@H](C)c1nnc(N2CCN(c3ccc(OC)c(F)c3)CC2)n1Cc1nncn1C 1513018559 MZZPUYCOPWZSMI-OAHLLOKOSA-N 428.516 2.443 10 10 IECE COc1ccc(N2CC[C@@H](NC(=O)c3cccnc3S(=O)(=O)C(F)(F)F)C2)cc1 1531729214 BTRLIOAKXSVUQD-GFCCVEGCSA-N 429.420 2.392 10 10 IECE C[C@H](Sc1nc(CC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cs1)C(N)=O 1535559571 YYZSMXRGEITKRW-KBPBESRZSA-N 434.587 2.366 10 10 IECE CCOCCCNC(=O)C1CCN(C(=O)NC[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1 1564962392 KHXLAXAFOPRYQP-IBGZPJMESA-N 446.592 2.486 10 10 IECE O=C(CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)NCc1cc(=O)c(O)co1 1603064338 PJVHUBBIFAJCMU-FRKPEAEDSA-N 434.470 2.392 10 10 IECE COCCNC(=O)C1CCN(c2nnc(C3CC3)n2Cc2ccc(N(C)C)c(F)c2)CC1 1619961897 JENYWLVECCTAKD-UHFFFAOYSA-N 444.555 2.388 10 10 IECE Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCCNS(=O)(=O)c1cccnc1 1632261273 HQMPAGGRANJJJB-UHFFFAOYSA-N 426.498 2.010 10 10 IECE Cc1nn(C)c2c1N(C(=O)c1cc(NS(=O)(=O)c3cccs3)ccc1O)CCO2 1636082376 QTWZCUAQPZVIHL-UHFFFAOYSA-N 434.499 2.336 10 10 IECE C[C@@H]1CN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CC[C@H](C(F)(F)F)O1 1674276475 HJSLOYONDVPJNW-RHSMWYFYSA-N 449.495 2.173 10 10 IECE CC(C)[C@H](NC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@H](CO)C(C)C 1682582933 OJYUFUNAAIRLHE-UXHICEINSA-N 425.595 2.010 10 10 IECE COc1cc(N2CCN(C(=O)NC[C@@H]3CC[C@@]4(CO[C@H](C)C4)O3)CC2)cc(OC)c1OC 1684205738 LHYQKZWTHJNNPB-WLENULPWSA-N 449.548 2.271 10 10 IECE 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427.545 2.318 10 10 IECE COc1ccc(N2CCN([C@H](C)C(=O)NC[C@@H]3COc4ccccc4O3)CC2)c(OC)c1 1197105666 USVSMCWSBTWOPE-IEBWSBKVSA-N 441.528 2.171 10 10 IECE CCN(CC)c1ccc(Cn2c([C@@H]3CCOC3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)cc1 1295420202 NYHYRCSCYVCQFF-UYAOXDASSA-N 447.605 2.300 10 10 IECE CCN(CC)CCO[C@H]1CCN(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)C1 1312833094 FBKUTGXRCOUBRX-SFHVURJKSA-N 440.535 2.444 10 10 IECE CN(Cc1ccc(N2CCOCC2)cc1)c1nnc(CC(C)(C)C)n1CCS(C)(=O)=O 1314737935 XCKLPTFIGGNHTE-UHFFFAOYSA-N 449.621 2.384 10 10 IECE CN(C)c1ccc([C@@H](CNC(=O)c2cn([C@@H]3CC[C@H]3O)nn2)NC(=O)OC(C)(C)C)cc1 1444501620 IMBZWGNLHHDLBV-BHIYHBOVSA-N 444.536 2.036 10 10 IECE Cc1cc(C)n(Cc2nnc(N(C)Cc3ccccc3O)n2C[C@@H]2NC(=O)CC2(C)C)n1 1492736749 RFTVLWXMUBSAKR-IBGZPJMESA-N 437.548 2.396 10 10 IECE CN(C)c1ccc(Cn2c(Cc3ccsc3)nnc2N2CC[C@H](C(N)=O)C2)cc1F 1552834550 UQIGJROEMXYMKZ-INIZCTEOSA-N 428.537 2.495 10 10 IECE CN(C[C@@]1(O)CCc2ccccc21)C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1565364212 KBZRPBUTPDHWLZ-VWLOTQADSA-N 436.556 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COc1ccc(N2CCN(C(=O)[C@H](C)NS(=O)(=O)C=Cc3ccccc3)CC2)cc1 2297380792 SEHOWKPJNAOTSM-SFHVURJKSA-N 429.542 2.323 10 10 IECE O=S(=O)(NCCCSc1nccs1)c1ccc(S(=O)(=O)N2CCCC2)cc1 733900457 YTGXEWYHSKTYLN-UHFFFAOYSA-N 447.629 2.388 10 10 IECE COc1ccc(N2CCN(C[C@@H](O)CN[C@@H](c3nnc4ccccn34)C(C)C)CC2)cc1 754191007 SIZLKRHIDUPQEI-NZQKXSOJSA-N 438.576 2.208 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C/C(=O)Nc3cc(C)cc(OCCO)c3)CC2)cc1 773733565 XSAYAXUNALSWBO-BQYQJAHWSA-N 439.512 2.218 10 10 IECE COc1ccc(N2CCN(C[C@@H](O)CN3CC[C@H](NC(=O)OC(C)(C)C)[C@@H]3C)CC2)cc1 808790432 XZOOGFCJHSCQOO-DWLFOUALSA-N 448.608 2.166 10 10 IECE COc1ccc(N2CC[C@H](NC(=O)N3CCN(CCN4[C@H](C)CC[C@H]4C)CC3)C2)cc1 1230859366 XFOWFIAZNULOEK-NJYVYQBISA-N 429.609 2.474 10 10 IECE CC(C)C(=O)NCCN(C)c1nnc(-c2cnccn2)n1Cc1ccc2c(c1)CCCN2C 1287132995 PUTZHJNZYLTZAT-UHFFFAOYSA-N 448.575 2.374 10 10 IECE Cc1nc(C(C)(C)C)nc(O)c1C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1455867121 OIBFYYHLWGOEQD-UHFFFAOYSA-N 425.533 2.420 10 10 IECE NC(=O)C1CCN(c2ccc(CNC(=O)CCS(=O)(=O)c3ccc(F)cc3)cc2)CC1 1462801013 CPQRQJXCNJSNDG-UHFFFAOYSA-N 447.532 2.008 10 10 IECE CC1(C2CCN(C(=O)NCc3cc(F)c(N4CCOCC4)c(F)c3)CC2)OCCO1 1478785928 BLYWNXFBKDKMOV-UHFFFAOYSA-N 425.476 2.486 10 10 IECE C[C@H]1CN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CCN1C(=O)c1cscn1 1479534188 LXGRDMGAGXRLMP-OXJNMPFZSA-N 444.605 2.368 10 10 IECE CCO[C@]1(c2nnc(N3CC[C@@H](OC)C3)n2Cc2ccc(N(C)C)c(F)c2)CCOC1 1502742783 BXOYYDFPMQMPKR-VGOFRKELSA-N 433.528 2.409 10 10 IECE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCN1C 1540458423 NDAPSQDDIUVNIN-HXUWFJFHSA-N 432.565 2.033 10 10 IECE COc1ccc(N2CCN(C[C@H](O)CN3C[C@H](N4CCCC4)C[C@H]3C(C)C)CC2)cc1 1560217727 NIBSQIFUYCYEEC-CUYJMHBOSA-N 430.637 2.373 10 10 IECE COc1ccc(N2CC[C@@H](NC(=O)NCc3cccc(N4CCCS4(=O)=O)c3)C2)cc1 1564511361 MPZVOCMZXDOYIY-GOSISDBHSA-N 444.557 2.313 10 10 IECE Cn1cc(C[C@@H]2CCC[C@@H]2NC(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)cn1 1565090920 CFVMWYUSDACTLW-UNMCSNQZSA-N 438.576 2.332 10 10 IECE CC(=O)N1CC[C@@H](CN(C)c2nnc([C@@H]3CCOC3)n2Cc2ccc(N(C)C)c(F)c2)C1 1595990459 FSQBGWZFNWRALP-RBUKOAKNSA-N 444.555 2.340 10 10 IECE COc1ccccc1-c1nnc(CC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)o1 1597004293 PQOADTJJBFTEJP-KRWDZBQOSA-N 449.511 2.306 10 10 IECE COc1ccc(N2CC[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)c3ccc(C)cc3)C2)cc1 1627154022 GABMPZIHUHDVIC-ROUUACIJSA-N 431.558 2.313 10 10 IECE CN1C[C@H](C(=O)N(C)Cc2ccc(N3CCCC3)cc2)N(C(=O)OC(C)(C)C)CC1=O 1628954554 LSLFBCVGUBOEBV-LJQANCHMSA-N 430.549 2.323 10 10 IECE C[C@@H]1CCN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C[C@@H]1NC(=O)C(F)(F)F 1637228928 RMUYYKISQWBSAC-KDOFPFPSSA-N 442.482 2.246 10 10 IECE Cn1nccc1[C@@H](O)CNC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 1639196554 WIAGZOYDJARODM-GWQWUEFDSA-N 436.584 2.313 10 10 IECE CCO[C@@]1(c2nnc(N(C)CC)n2Cc2ccc(N3CCOCC3)c(F)c2)CCOC1 1710426081 PBVZOGKTESLLJI-QFIPXVFZSA-N 433.528 2.410 10 10 IECE CCN(CC)c1ccc(Cn2c(C)nnc2N2CCC(NS(=O)(=O)CC)CC2)cc1 1728380943 LBYKMHTUZGJUDA-UHFFFAOYSA-N 434.610 2.389 10 10 IECE COc1ccc(N2CCN(c3nnc(C(C)(C)C)n3C[C@]3(O)CCOC3)CC2)cc1F 1730179625 AKYHFCQTURKVNP-JOCHJYFZSA-N 433.528 2.201 10 10 IECE CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1765790260 REVFNCZFUCOKHR-LJQANCHMSA-N 447.605 2.453 10 10 IECE COC[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(N(C)C)c(F)c2)C1 1769441465 ANOIFLZXPVIWSX-QGZVFWFLSA-N 430.528 2.240 10 10 IECE COc1ccc(N2CCN(C(=O)[C@@H]3CCN(S(=O)(=O)Cc4ccccc4)C3)CC2)cc1 1858409424 PTUNBCXZKWZHDX-HXUWFJFHSA-N 443.569 2.196 10 10 IECE CCCn1nc(C)c2c1OC(N)=C(C(=O)NCc1cccnc1)[C@H]2c1ccc(O)c(O)c1 1864009178 BMGWTZAAWUIZQJ-IBGZPJMESA-N 435.484 2.419 10 10 IECE C=CCN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(CC)c2N2CCN(C)CC2)SC1=S 33467285 NQVBHQZVFZYMAM-SFQUDFHCSA-N 443.598 2.187 10 10 IECE COc1ccc(N2CCN(CCNC(=O)N3CCCC[C@H](N4CCCC4)C3)CC2)cc1 730902618 HKMBZCKITNOVGN-QFIPXVFZSA-N 429.609 2.477 10 10 IECE COCCNS(=O)(=O)c1c[nH]c(C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)c1 746105810 HUMHVMXSWJYJFR-UHFFFAOYSA-N 444.557 2.319 10 10 IECE COC(=O)c1cccc(CCNC(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)c1 768713587 DZOBVCLMCQLLQX-UHFFFAOYSA-N 440.544 2.146 10 10 IECE C[C@H](NC(=O)C(=O)NCc1ccc(N2CCOCC2)cc1)c1ccc(-n2cccn2)cc1 788322544 HUBODDYEKORPIQ-SFHVURJKSA-N 433.512 2.203 10 10 IECE NC(=O)CCNC(=O)c1cccc(NC(=O)NCc2cc(Br)ccc2O)c1 806257924 WMMNSQXFPFZWHL-UHFFFAOYSA-N 435.278 2.082 10 10 IECE O=C1/C(=C\c2ccc(F)cc2)SC(=S)N1CCC(=O)N1CCOC[C@@]12CCOC2 1128342618 HTNPCBXUDULJPQ-PRDNPTHXSA-N 436.530 2.435 10 10 IECE CN(C)c1ccc([C@@H](CNC(=O)C2(CNC(=O)OC(C)(C)C)CC(O)C2)N(C)C)cc1 1158717668 QMIZEWYOAQTCIZ-FVRICEFQSA-N 434.581 2.137 10 10 IECE COc1ccc(N2CCN(C[C@H](O)CN3CCC[C@H]3c3ccc(OC)cn3)CC2)cc1 1198597687 XZEOFTSBINUUNR-RDPSFJRHSA-N 426.561 2.419 10 10 IECE COC(=O)[C@@H]1[C@@H]2CC[C@@H]([C@@H]1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1)N2C(=O)OC(C)(C)C 1447566705 ZPMOLBFBWOKDAG-SZQWKIALSA-N 448.516 2.332 10 10 IECE COC[C@]1(C(=O)NCc2ccc3c(c2)CCCN3C)CN(C(=O)OC(C)(C)C)CCO1 1464518271 JEKSCTKCYBGSAI-QHCPKHFHSA-N 433.549 2.338 10 10 IECE CN(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 1465395228 TUPDHXZEBIRZTI-NRFANRHFSA-N 448.608 2.357 10 10 IECE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)C[C@H](C)CC(C)C)CC2)cc1 1531665175 MQDSVURMSXYODB-GOSISDBHSA-N 425.595 2.336 10 10 IECE COc1ccc(N2CC[C@@H](NC(=O)[C@H]3CCCN(S(=O)(=O)c4ccccc4)C3)C2)cc1 1538746323 JIDCZXBODJFWDF-RBUKOAKNSA-N 443.569 2.491 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N[C@H](C3CCC3)[C@@H]3CCCO3)CC2)cc1 1557725931 UYLZLHNLFRENGO-CTDRIMOWSA-N 427.545 2.364 10 10 IECE CCOC(=O)CN(CC(=O)N1CCN(c2ccccc2F)CC1)Cc1ccccc1O 1559930372 PJCIOPZFCIAHSD-UHFFFAOYSA-N 429.492 2.245 10 10 IECE CCN(CCNC(=O)OC(C)(C)C)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 1560002995 DKZXDHWSMWBGGB-UHFFFAOYSA-N 438.544 2.125 10 10 IECE Cc1nn(C)cc1C1=NO[C@H](C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)C1 1566356964 SLXIDBQPTYRLBS-UZLBHIALSA-N 431.924 2.361 10 10 IECE O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)[C@@H]1CCCN(C(=O)c2ccncc2)C1 1584514815 BNBQOHSTQRLNJB-GOSISDBHSA-N 444.482 2.365 10 10 IECE CC(C)NS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccccc1O 1610294596 MKJTXJGJYQETBH-SFHVURJKSA-N 437.566 2.190 10 10 IECE CN1CCN(c2ccc(CNC(=O)c3cc([N+](=O)[O-])ccc3SCCO)cc2)CC1 1633252169 IOSCWQNXGZGWSP-UHFFFAOYSA-N 430.530 2.361 10 10 IECE CC(C)(C)OC(=O)N1CC[C@@]2(C1)c1[nH]cnc1CCN2C(=O)Cc1ccc(O)c(O)c1 1633493208 JSYMRJLCDVNTFX-JOCHJYFZSA-N 428.489 2.284 10 10 IECE CN1CCC(CNC(=O)N(C)Cc2ccc(N3CCCC3)cc2)(N2CCOCC2)CC1 1636148314 RWFPATVASPXRPM-UHFFFAOYSA-N 429.609 2.225 10 10 IECE C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)NCc2cc(Cl)cc(Cl)c2O)cc1 1637134122 LKZXQKKRPIKURA-SNVBAGLBSA-N 433.313 2.288 10 10 IECE O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1cc2ncc(Br)cn2n1 1642155209 IOIVJNTXMLHXTR-UHFFFAOYSA-N 430.306 2.383 10 10 IECE Cn1ncc(CNC(=O)OC(C)(C)C)c1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 1646434849 IIHYLTBZLKNWSD-UHFFFAOYSA-N 443.548 2.336 10 10 IECE NC(=O)C1CCN(c2ccc(CNC(=O)CN3CC[C@@H](c4ccccc4)NC3=O)cc2)CC1 1652070988 LJRDPSNHXOTGIR-QFIPXVFZSA-N 449.555 2.161 10 10 IECE CN1CCN(c2ccc(CNC(=O)NC[C@H](CO)Cc3ccc(F)c(F)c3)cc2)CC1 1684973081 FQQYVKHKPOOKGG-LJQANCHMSA-N 432.515 2.367 10 10 IECE CCc1nnc(N2CCN(c3ccc(OC)c(F)c3)CC2)n1C[C@H]1CCOC[C@H]1OC 1709139313 MITLKAWAXJZEKJ-OXQOHEQNSA-N 433.528 2.366 10 10 IECE COCC(=O)N1CCN(c2nnc(C3CCC3)n2CCCSc2nccs2)CC1 1730415755 PHTOALMNOYUJFW-UHFFFAOYSA-N 436.607 2.480 10 10 IECE C[C@@H]1C(=O)N(C)CCN1c1nnc([C@@H]2CCCCO2)n1Cc1ccc(N(C)C)c(F)c1 1751981830 FFCIBUVDQHAMLZ-BEFAXECRSA-N 430.528 2.440 10 10 IECE CCN(CC)c1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2cnn(C)c2)cc1 1764936041 WMSYIGOVIWFENA-HXUWFJFHSA-N 436.564 2.494 10 10 IECE CN(C)S(=O)(=O)N1C[C@@H]2CCN(C(=O)CCn3c4c(c5ccccc53)CCCC4)[C@H]2C1 1848845398 NRLPMLBOCFGTNG-JTSKRJEESA-N 444.601 2.249 10 10 IECE COc1ccc(N2CCN(C(=O)CN=c3nc(O)cc(-c4ccc(C)cc4)[nH]3)CC2)cc1 1858523823 CPCLRVLDUSEFCZ-UHFFFAOYSA-N 433.512 2.349 10 10 IECE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)/C=C/c3ccccc3[N+](=O)[O-])CC2)cc1 1861957989 WHXXBOZIUGHHFM-SNQZOLJRSA-N 438.484 2.470 10 10 IECE Cc1cc(C(=O)Cn2nnc(-c3cccs3)n2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 9223796 SBFWRVFOBHZXLC-UHFFFAOYSA-N 442.526 2.339 10 10 IECE COC(=O)C1=C(C)NC(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2ccc(C)c(C)c2)o1 101652214 NLBLHZSHUAFIJA-ZDLGFXPLSA-N 437.452 2.112 10 10 IECE COc1ccc(N2CCN(C(=O)c3c(-c4cncnc4)cc(=O)n4c3CCC4)CC2)cc1 581819412 KMYZVAGOXOSCOM-UHFFFAOYSA-N 431.496 2.223 10 10 IECE CCN(CCc1nccs1)C(=O)/C=C\C(=O)N1CCN(c2ccc(OC)cc2)CC1 778393509 GCUMQKANVITIHG-HJWRWDBZSA-N 428.558 2.448 10 10 IECE CC(=O)c1cc(F)cc(CN2CCN([C@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)c1O 780565520 LDVMUGQCNIBMDK-FQEVSTJZSA-N 443.523 2.089 10 10 IECE Cc1cc(C(=O)CN2C(=O)c3cccnc3S2(=O)=O)c(C)n1-c1ccc2c(c1)OCO2 794439107 ITZMHWMUNYGLTN-UHFFFAOYSA-N 439.449 2.245 10 10 IECE C[C@@H]1CCCN(c2ccc(CNC(=O)NCc3nnc4c(=O)n(C)ccn34)cc2Cl)C1 1235831974 BBTCHMRIECMXLU-CQSZACIVSA-N 443.939 2.317 10 10 IECE Cc1cnn(-c2c(C(=O)NCc3cc(F)c(N4CCOCC4)c(F)c3)c(C)nn2C)c1 1275224806 ZMCMZXGHWMFPQW-UHFFFAOYSA-N 430.459 2.267 10 10 IECE COc1ccc(N2CC[C@H](NC(=O)c3cc(NS(C)(=O)=O)c(OC)c(OC)c3)C2)cc1 1453219891 TUBCGQYIKUPBIS-HNNXBMFYSA-N 449.529 2.093 10 10 IECE Cc1cc(N(C)C)ccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CCC[C@@H]21 1510679817 VCEOSBMZZBBWIS-IEZWGBDMSA-N 432.594 2.300 10 10 IECE COC[C@@H](F)Cn1c(-c2cnccn2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1518751149 QJIZYDFLQVQOHM-HNNXBMFYSA-N 445.474 2.194 10 10 IECE COc1ccc(N2CCN(CCCNC(=O)c3cc(C)nn3C3CCOCC3)CC2)cc1 1531524339 JVBOYMTUWDHRNR-UHFFFAOYSA-N 441.576 2.494 10 10 IECE CC(C)NC(=O)c1nnc(N(C)Cc2ccccc2O)n1CC1(C(=O)N(C)C)CCCC1 1541639168 YMMBNZYDMQKRRT-UHFFFAOYSA-N 442.564 2.407 10 10 IECE CCc1nnc(N2CCC(N(C)S(C)(=O)=O)CC2)n1Cc1ccc2c(c1)CCCN2C 1546477131 NDAHGQKBIWQOLM-UHFFFAOYSA-N 446.621 2.131 10 10 IECE Cc1cc(N(C)C)ccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)[C@@H](F)C1 1611963316 MXHVTVQBXGUTAP-AYBZRNKSSA-N 435.569 2.397 10 10 IECE CN(CC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1)c1ccccc1[N+](=O)[O-] 1626090443 IBPXNKBKTUVNGB-UHFFFAOYSA-N 425.489 2.049 10 10 IECE CN(C)c1ccc(Cn2c(-c3cccnc3)nnc2N(C)CCN2CCOCC2)cc1F 1696608156 RZZCHNDYHAPWHP-UHFFFAOYSA-N 439.539 2.362 10 10 IECE CN(Cc1ccccc1O)c1nnc(Cc2cccnc2)n1CC1(CS(C)(=O)=O)CC1 1711096529 MDICDSRBYQIJKZ-UHFFFAOYSA-N 441.557 2.431 10 10 IECE COC(=O)COc1ccc(C=C2C(=O)NC(=S)N(c3ccccc3)C2=O)cc1OC 2294229086 QTWARIQGBPTFHM-UHFFFAOYSA-N 426.450 2.078 10 10 IECE C[C@@H]1CCc2c(sc(NS(=O)(=O)c3ccc4c(c3)NC(=O)[C@@H](C)O4)c2C(N)=O)C1 71555649 RJJQDBBQCZZCNV-NXEZZACHSA-N 435.527 2.492 10 10 IECE COc1ccc(N2CCN(CCNC(=O)N(C)[C@H]3CCCc4c3cnn4C)CC2)cc1 749184833 AULSSJGJYVBWQM-NRFANRHFSA-N 426.565 2.270 10 10 IECE O=C(CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)N1CCN2C(=O)CC[C@H]2C1 1151026440 VXHWADCSDIPGHF-CNYBTUBUSA-N 433.530 2.250 10 10 IECE CN(C)C(=O)COc1ccccc1C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 1275224769 YAFYYMLYRNPMDH-UHFFFAOYSA-N 433.455 2.198 10 10 IECE Cc1ccc(-c2nnc(N(C)Cc3ccccc3O)n2CC2(O)CCS(=O)(=O)CC2)o1 1304301256 SDMAAETXHBFEKO-UHFFFAOYSA-N 446.529 2.128 10 10 IECE 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COCCCN(Cc1ccc(N2CCOCC2)cc1)c1c(O)nc(=O)n(CC(C)C)c1N 768190841 BMVMLSMJTLWFBR-UHFFFAOYSA-N 445.564 2.067 10 10 IECE CCOc1cccc(CCNC(=O)/C=C\C(=O)N2CCN(c3ccc(OC)cc3)CC2)n1 778333632 CRRBGOMMDOJCLA-QXMHVHEDSA-N 438.528 2.053 10 10 IECE Cc1ccc(-n2nnc(CC(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)c2C)cc1 920004637 XPLZLJVRYZQNBN-FQEVSTJZSA-N 446.555 2.445 10 10 IECE COc1ccc(N2CCN(C(=O)c3cnc4sc(C)c(C)n4c3=O)CC2)c(OC)c1 1132032255 PYCHEXOATDYTRP-UHFFFAOYSA-N 428.514 2.352 10 10 IECE CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1155604131 NBPHTBXYZASXKI-SFHVURJKSA-N 448.589 2.315 10 10 IECE CCNC(=O)N1CCN(c2nnc(C(C)C)n2Cc2ccc(N3CCOCC3)cc2)CC1 1296302328 RCMWADDRVOOLJR-UHFFFAOYSA-N 441.580 2.138 10 10 IECE O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)N1CCC2(CC1)C[C@H](O)CCO2 1312834016 SRAKIIZKVXSWPH-MRXNPFEDSA-N 425.476 2.017 10 10 IECE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)Cn1cc(C=O)c(-c2ccccc2)n1 1447350633 YYIKEKXBAMLWJV-SFHVURJKSA-N 437.452 2.064 10 10 IECE COc1ccc(N2CCN(C(=O)C3(S(=O)(=O)c4ccccc4)CC3)CC2)c(OC)c1 1461985777 ZCBJBIBHBJJBHN-UHFFFAOYSA-N 430.526 2.359 10 10 IECE C[C@@H]1CN(CCO)CCN1C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 1468955354 MGGXQXAAJLOTJQ-RGHBXIHOSA-N 439.628 2.255 10 10 IECE CN(Cc1ccccc1O)c1nnc([C@@H]2CCC(=O)N2)n1CCCN1CCCCCC1=O 1503486671 AAMKYWNTRFJQKX-SFHVURJKSA-N 440.548 2.364 10 10 IECE CC(=O)NC[C@H]1CN(c2nnc(CC3CC3)n2CCCSc2nccs2)CCO1 1508385181 XXKUTARDJZGLEI-INIZCTEOSA-N 436.607 2.211 10 10 IECE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3ccc(C(C)C)cn3)CC2)cc1 1527891339 JSQHTGHNPRGGRI-UHFFFAOYSA-N 446.573 2.095 10 10 IECE Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1 1564601555 QYXCWBYLEJWUPF-LJQANCHMSA-N 444.601 2.408 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CCCC[C@@]34CCCOC4)CC2)cc1 1607929425 OFSAJYBMIAOHHA-GTCGAKFVSA-N 427.545 2.462 10 10 IECE COC(=O)/C=C1\SCC(=O)N1CCCN(CC(=O)OC)Cc1cc(Cl)ccc1O 1615935493 NRRGGUCTTSRHPT-MFOYZWKCSA-N 442.921 2.001 10 10 IECE CCO[C@]1(c2nnc(N3CCCOCC3)n2Cc2ccc(N(C)C)c(F)c2)CCOC1 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CCOC(=O)N[C@@H]1CCCN(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)C1 1478785933 BPVSXOQFAREEDF-OAHLLOKOSA-N 426.464 2.222 10 10 IECE COC[C@@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(N(C)C)c(F)c2)C1 1518852533 CTQNLLYAJOXKNA-SJLPKXTDSA-N 430.528 2.345 10 10 IECE Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NC[C@@H]2CCC[C@@H]2NS(C)(=O)=O)cc1 1545776398 CYWGLEATODIINB-RXVVDRJESA-N 431.558 2.283 10 10 IECE C[C@@](CO)(NC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1cccc(C(F)(F)F)c1 1585042861 GNJARVJJQUOJPD-KRWDZBQOSA-N 432.420 2.420 10 10 IECE CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H](CCC(N)=O)NC(=O)CCC1CCCC1 1586832768 UTKBZELQNNKDDW-SFHVURJKSA-N 430.549 2.199 10 10 IECE CN(Cc1ccccc1O)c1nnc([C@@H]2CCOC2)n1CC1(S(C)(=O)=O)CCCC1 1617940399 NZIZHCYSSRODRE-QGZVFWFLSA-N 434.562 2.481 10 10 IECE COc1ccc(N(C)CCN(C)C(=O)CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 1632049342 KVDWKPOPPHMSDC-LJQANCHMSA-N 448.564 2.106 10 10 IECE COc1ccc(N2CC[C@@H](CNC(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CCN3C)C2)cc1 1639682440 CICGPRIRXYACBP-PXNSSMCTSA-N 432.565 2.189 10 10 IECE COc1ccc(N2CC[C@H](CNC(=O)CNC(=O)Nc3cccc([N+](=O)[O-])c3)C2)cc1 1639683566 QJTKJLZEQXWSBJ-OAHLLOKOSA-N 427.461 2.368 10 10 IECE C[C@H]1C(=O)Nc2ccccc2CN1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 1654199006 MPZXNGWVQQHZKC-INIZCTEOSA-N 426.492 2.121 10 10 IECE CNC(=O)CCCN(C)c1nnc(Cc2ccncc2)n1Cc1ccc(N(C)C)c(F)c1 1748245855 HOVRINPBLPUBPS-UHFFFAOYSA-N 439.539 2.480 10 10 IECE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)c3cc(OC)ccc3[N+](=O)[O-])CC2)cc1 1862039908 BPUGDTPZLBGKMI-HNNXBMFYSA-N 442.472 2.079 10 10 IECE CC(C)(C)OC(=O)N1C[C@H](S(C)(=O)=O)[C@H](NCc2ccc(Br)cc2O)C1 1877647624 LPIDVTCCAJBWFU-HIFRSBDPSA-N 449.367 2.277 10 10 IECE Cc1nc2ccc(C(=O)NC3CCN(C(=O)c4cc(O)c(O)c(O)c4)CC3)cc2nc1C 169867663 VAKWILOIYICEDF-UHFFFAOYSA-N 436.468 2.398 10 10 IECE COc1ccc(N2CCN(C(=O)Cc3csc(NC(=O)c4ncccn4)n3)CC2)cc1 585159819 APLAJUSFMBAPKT-UHFFFAOYSA-N 438.513 2.085 10 10 IECE COc1ccc(N2CCC(NC(=O)C(=O)Nc3cccc(N4CCOCC4)c3)CC2)cc1 726728667 YJZHPIVWXISQCP-UHFFFAOYSA-N 438.528 2.256 10 10 IECE COc1ccc(N2CCC(NC(=O)NC[C@H](Cc3ccc(F)cc3)C(N)=O)CC2)cc1 731758053 FHZXCMFDKXGREQ-KRWDZBQOSA-N 428.508 2.447 10 10 IECE COCCCOC1CN(C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)C1 751069824 AZJOVCKCNKXPCO-UHFFFAOYSA-N 426.516 2.132 10 10 IECE COC(=O)c1ccc(-n2c(C)cc(C(=O)CN(C)CCN3CCCS3(=O)=O)c2C)cc1 752305648 MHRAFJUZFWXHLK-UHFFFAOYSA-N 447.557 2.031 10 10 IECE CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 764896906 IASGFPGVODFTGA-HMXCVIKNSA-N 449.617 2.211 10 10 IECE C[C@@H]1[C@@H](C)[S@@](=O)CCN1C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 769886763 DWVOJGNOFWPPDT-DPCRMLNESA-N 428.557 2.236 10 10 IECE CCN1C[C@@H](CNC(=O)CCN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)CC1=O 1165357126 OKHLDSQTGSUSAT-BRYYZUPOSA-N 435.546 2.402 10 10 IECE COc1ccc(N2CC[C@@H](NC(=O)N3CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C3)C2)cc1 1252923484 MMIPUZZNZZJNEK-CPUCHLNUSA-N 428.455 2.372 10 10 IECE C[C@H](CNC(=O)CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)c1nncn1C 1296584673 JEEBJUNNHTUIPP-CDCQXCROSA-N 433.534 2.465 10 10 IECE C[C@@H]1CN(C)C(=O)CN1c1nnc([C@H]2CCCCO2)n1Cc1ccc(N(C)C)c(F)c1 1305114176 DKRVSXWQEMIZEH-DNVCBOLYSA-N 430.528 2.440 10 10 IECE Cn1nccc1[C@H](O)C1CCN(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)CC1 1312834308 WROWXZSBQMXAQA-OAQYLSRUSA-N 449.502 2.190 10 10 IECE CC(C)(C)OC(=O)N1CC(N2C[C@H](NC(=O)NCc3cccc(Cl)c3O)CC2=O)C1 1313382816 QHHMVMXKBWKUGY-CYBMUJFWSA-N 438.912 2.065 10 10 IECE COc1ccc(N2CCN(CCCNC(=O)[C@@]3([C@H]4CCCCO4)CCCO3)CC2)cc1 1356065525 NZIMAMWYRNKNRQ-VWNXMTODSA-N 431.577 2.442 10 10 IECE CCS(=O)(=O)c1ccccc1CC(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1 1466882622 OGKHMRGCFMYNHS-UHFFFAOYSA-N 443.569 2.008 10 10 IECE C[C@H](CN(C)Cc1ccccc1)NC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1478744602 MBIXWRBPKQCJTO-LJQANCHMSA-N 444.601 2.241 10 10 IECE CC(C)O[C@@]1(c2nnc(N(C)Cc3ccccc3O)n2C[C@@H]2CC[C@H](CO)O2)CCOC1 1509799380 XOQMEKXUYYJXKU-YYDVJCTNSA-N 446.548 2.201 10 10 IECE C[C@H]1CN(c2ccc(CNC(=O)c3ccc4c(c3)C(=O)NCCO4)cc2F)C[C@@H](C)O1 1526002346 AYXLFFCULZWTSN-GASCZTMLSA-N 427.476 2.492 10 10 IECE Cc1cc(CCNC(=O)c2c3c(nn2C)CCS(=O)(=O)C3)c(C)n1-c1ccccc1 1530890363 SPWVOLHYMLJHJM-UHFFFAOYSA-N 426.542 2.271 10 10 IECE COC(=O)c1cc(NC(=O)CN(C)CCN(C)c2ccc(OC)cc2)cc(C(=O)OC)c1 1559966849 MSBMFMUNGJEIGH-UHFFFAOYSA-N 443.500 2.275 10 10 IECE O=C(NCCCSc1nccs1)c1sccc1S(=O)(=O)N1CCC(O)CC1 1627198957 PIUKQZUZCSTEOF-UHFFFAOYSA-N 447.629 2.262 10 10 IECE Cc1c(Br)cnn1CC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 1629969165 URHDULSCCDNDLD-UHFFFAOYSA-N 425.302 2.371 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CC4(CCCC4)OC[C@H]3C)CC2)cc1 1630358604 OKUUTXMFGNRAOV-JBVUFVISSA-N 427.545 2.460 10 10 IECE C[C@H](CNC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1)CNC(=O)OC(C)(C)C 1633475200 HSGGNQMSUWRGIF-MRXNPFEDSA-N 447.580 2.348 10 10 IECE CS(=O)(=O)CC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1Cc2cccc(O)c2C1 1636231282 YZNIZMDIQMGWBB-KRWDZBQOSA-N 436.917 2.121 10 10 IECE O=C(NCc1ccc2cccnc2c1O)c1cc(S(=O)(=O)N2CCCC2)ccc1O 1639621505 HUZSRZSGZIKUAY-UHFFFAOYSA-N 427.482 2.361 10 10 IECE COc1ccc(N2CC[C@H](CNC(=O)NC[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)C2)cc1 1681825154 NRZJUJAEJGGEDD-YLJYHZDGSA-N 448.564 2.457 10 10 IECE COC(=O)C1CC2(C1)C[C@H](NC(=O)NC[C@@H]1CCN(c3ccc(OC)cc3)C1)CCO2 1683504549 WTIBLHGJQAREMI-PDIVGGKMSA-N 431.533 2.322 10 10 IECE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N(C)C)cc1C)C1CC1 1705849174 FRBUSOVDZQNRLW-MRXNPFEDSA-N 432.594 2.466 10 10 IECE CCOCc1nnc(N2CCC[C@@H](OC)C2)n1Cc1ccc(N2CCOCC2)c(F)c1 1710713387 MBZDSDYWPVSNHA-GOSISDBHSA-N 433.528 2.454 10 10 IECE CCS(=O)(=O)NCCn1c(C2CC2)nnc1N(C)Cc1ccc(N2CCCC2)cc1 1710900483 QMTZETXFGIIDQY-UHFFFAOYSA-N 432.594 2.331 10 10 IECE CN(Cc1ccccc1O)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1767112332 YDFJIZALXRXKNE-APWZRJJASA-N 449.577 2.143 10 10 IECE CN(Cc1ccccc1O)c1nnc([C@@H]2CCC(=O)N2)n1CCCNC(=O)OC(C)(C)C 1768681214 GARMQTCATWSBJO-INIZCTEOSA-N 444.536 2.486 10 10 IECE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=CNCCCN1CCCCC1 2296157257 ZBHLDVFBICFJMI-UHFFFAOYSA-N 435.322 2.381 10 10 IECE CCN(CC)c1ccc(C=C2C(=O)NC(=O)N(CCCCCCNC(N)=O)C2=O)cc1 2297450341 INBMMJDYSREKKW-UHFFFAOYSA-N 429.521 2.223 10 10 IECE COc1ccc(N2CCN(C(=O)Cn3cnc(-c4noc(-c5ccncc5)n4)c3)CC2)cc1 96102028 TZWVGQXTIZHEFF-UHFFFAOYSA-N 445.483 2.353 10 10 IECE CCOC(=O)CC1(NC(=O)/C=C/C(=O)N2CCN(c3ccc(OC)cc3)CC2)CCCC1 790354322 DEGLXXIYMWCQDC-ZHACJKMWSA-N 443.544 2.282 10 10 IECE Cc1ccc(CC(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c(Cl)n1 805667562 IOCCEYGFSHBBKC-UHFFFAOYSA-N 435.883 2.421 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C\C(=O)NCc3nc(-c4ccccc4)no3)CC2)cc1 1153931479 RILXNOSXVOPGOT-QXMHVHEDSA-N 447.495 2.266 10 10 IECE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(S(N)(=O)=O)c(Br)c1 1157102384 KWQBUUNWXAXUFV-UHFFFAOYSA-N 434.308 2.218 10 10 IECE COC(=O)c1ccc(CNC(=O)/C=C/C(=O)N2CCN(c3ccc(OC)cc3)CC2)s1 1162394309 SSXWFPMXCCEZFA-MDZDMXLPSA-N 443.525 2.065 10 10 IECE COc1ccc(N2CC[C@@H](CNC(=O)NCC(C)(C)[C@@H]3COCC34OCCO4)C2)cc1 1251793076 ZYPMAVPPTRNAIY-PXNSSMCTSA-N 433.549 2.236 10 10 IECE C[C@H]1CN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CCN1C(=O)c1cscn1 1313063783 GCPTVPAGNFOGAO-INIZCTEOSA-N 443.573 2.160 10 10 IECE CCOC(=O)[C@@H]1[C@H](C)C[C@H](C)N(C[C@H](O)CN2CCN(c3ccc(OC)cc3)CC2)[C@@H]1C 1473882691 YAKFUZRYMIJNFV-IFJBLMCRSA-N 447.620 2.476 10 10 IECE CO[C@H]1CCCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc3c(c2)CCCN3C)C1 1504483454 SJXQMPHGRUGHQC-IBGZPJMESA-N 426.565 2.462 10 10 IECE COCCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(N(C)C)c(F)c2)C[C@@H]1C 1504919700 LUFQDOAWXIGMLS-PKOBYXMFSA-N 446.571 2.192 10 10 IECE CC(=O)N1Cc2ccc(S(=O)(=O)N(C)Cc3ccc(N4CCOCC4)cc3)cc2C1 1561093403 TZWZSALJHLDMKZ-UHFFFAOYSA-N 429.542 2.206 10 10 IECE C[C@@H]1CN(c2ccc(CNC(=O)CN3CC[C@@H](c4cnccn4)C3)cc2F)C[C@@H](C)O1 1620617610 KKNTZAXDQGUEFW-ZHALLVOQSA-N 427.524 2.335 10 10 IECE CS(=O)(=O)c1cc(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)c(Cl)cn1 1642297618 MGIZTKSQKDYVNJ-UHFFFAOYSA-N 445.875 2.183 10 10 IECE NC(=O)C1CCN(c2ccc(CNC(=O)[C@H]3CC[C@H](Nc4cnccn4)CC3)cc2)CC1 1644863610 PHKJVDQDZFEUGL-MXVIHJGJSA-N 436.560 2.465 10 10 IECE Cn1nccc1[C@@H]1CN(C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)CCO1 1647976229 LVSDWOWKVZXLCH-KRWDZBQOSA-N 448.526 2.202 10 10 IECE O=C(CSc1ncc(Cl)s1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 1656766664 LNOQMAPUBPRYND-CQSZACIVSA-N 439.946 2.399 10 10 IECE COc1ccc(N2CC[C@H](NC(=O)NCCn3cc(Br)ccc3=O)C2)cc1 1686632445 PPLUNGFUVDZKLZ-HNNXBMFYSA-N 435.322 2.198 10 10 IECE CC(C)NC1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(N(C)C)c(F)c2)CC1 1723655895 KQJXKRGPRCBMHV-LJQANCHMSA-N 443.571 2.449 10 10 IECE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccccc2O)n1CC[C@H]1C[C@H](F)C1 1723907565 FETCTNUJMVEBRO-DZKIICNBSA-N 425.530 2.369 10 10 IECE CN(Cc1ccccc1O)c1nnc([C@H]2CCC(=O)N2)n1CCCNC(=O)OC(C)(C)C 1768681216 GARMQTCATWSBJO-MRXNPFEDSA-N 444.536 2.486 10 10 IECE O=C(Oc1cc(O)cc2c1C[C@H](O)[C@H](c1ccc(O)c(O)c1)O2)c1cc(O)c(O)c(O)c1 14642859 LVJJFMLUMNSUFN-UWJYYQICSA-N 442.376 2.177 10 10 IECE biogenic O=C(O)COc1ccccc1/C=C1\SC(=S)N(NC(=O)c2cccc(O)c2)C1=O 16929719 RIPWWZCAAFKJJU-DHDCSXOGSA-N 430.463 2.402 10 10 IECE COc1ccc(N/C=C2\C(=O)NC(=O)N(c3cc(OC)ccc3OC)C2=O)c(OC)c1 100335043 RZERJEDQAHIMHS-SDNWHVSQSA-N 427.413 2.300 10 10 IECE CCN1CCN(c2ccc(CNC(=O)N3CCCC[C@H]3CN3CCOCC3)cc2F)CC1 745808018 JCKOBJRXIPECJM-NRFANRHFSA-N 447.599 2.364 10 10 IECE COC(=O)c1cncc(NC(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)c1 776480682 UVDWDSWUDVSKMB-UHFFFAOYSA-N 427.505 2.211 10 10 IECE COc1ccc(N2CCN(CCCNC(=O)N3CCOC[C@@H]3CC(F)F)CC2)cc1 806334627 RIGQKMYHGLNCCF-SFHVURJKSA-N 426.508 2.273 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CCOC[C@@H]3CC3CCC3)CC2)cc1 819307497 YPSYOOMQCCCUGT-YUQDSPFASA-N 427.545 2.318 10 10 IECE O=C(NC1CC1)[C@H]1CCCN(C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)C1 1116442078 GXLXHKIGGHPOHU-NRFANRHFSA-N 439.604 2.419 10 10 IECE CCOC(=O)CN(CC(=O)N1CCN(Cc2ccsc2)CC1)Cc1ccccc1O 1195359189 TVBAEFDYWAYEEB-UHFFFAOYSA-N 431.558 2.163 10 10 IECE COc1cc(OC)cc([C@H](O)CNC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c1 1251500476 FLIDVEBSHOHWCM-FCHUYYIVSA-N 430.549 2.405 10 10 IECE CCO/C=C\[C@](O)(CNC(=O)NCc1ccc(N2CCN(C)CC2)cc1)C(F)(F)F 1254716973 ZJPCQYARVWWMBN-RNNBRSHQSA-N 430.471 2.081 10 10 IECE CC(C)[C@@H](NC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)C1(CO)CC=CC1 1312985133 XXWZUOGABIMGNX-HXUWFJFHSA-N 435.590 2.074 10 10 IECE C[C@H]1CN(c2ccc(CNC(=O)c3cn(CC(=O)OC(C)(C)C)nn3)cc2F)C[C@@H](C)O1 1356036157 BLUVVKBGIIXEQV-GASCZTMLSA-N 447.511 2.303 10 10 IECE CCOC(=O)c1ccc(N2CC(NC(=O)N(C)CCN(C)c3ccc(OC)cc3)C2)nc1 1469763855 GNIULLNWNJVOJR-UHFFFAOYSA-N 441.532 2.233 10 10 IECE CN(Cc1ccccc1O)c1nnc(Cc2ccccn2)n1C[C@H]1CCCS(=O)(=O)C1 1517147021 JGJQFKUIPVRFRT-QGZVFWFLSA-N 441.557 2.431 10 10 IECE COCCO[C@@H](C)c1nnc(N(C)Cc2ccccc2O)n1Cc1ccc(C)n(C)c1=O 1519252764 KKPDPZDLNACRNQ-KRWDZBQOSA-N 441.532 2.400 10 10 IECE CN(C)C(=O)CN1CCN(c2nnc(C3CC3)n2CCCSc2nccs2)CC1 1552739526 OQGMFJKWVACOQQ-UHFFFAOYSA-N 435.623 2.005 10 10 IECE O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NCc1cc(F)c(N2CCOCC2)c(F)c1 1596684027 HEPYEAIXKJWRLQ-UHFFFAOYSA-N 448.426 2.146 10 10 IECE Cc1nnnn1/C(=C\c1ccccc1)C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 1629484039 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COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccccc2O)n1C[C@@]1(C)COCCO1 1771283865 ZWDZXHBPSYHIKZ-JLMWRMLUSA-N 432.521 2.150 10 10 IECE CCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2C)[C@@H]1c1ccc(O)c(O)c1 1864022998 TXPUDMSODLHBOO-KRWDZBQOSA-N 436.468 2.338 10 10 IECE CCCNC(=O)N(C)CC(=O)N1N=C(c2cccn2C)C[C@H]1c1ccc2c(c1)OCO2 50331535 FRZPPCZKYWWPLT-SFHVURJKSA-N 425.489 2.483 10 10 IECE CN(Cc1ccc(N2CCOCC2)cc1)CN1C(=O)N[C@@]2(CC(C)(C)OC2(C)C)C1=O 764865967 UBLPXPFPAYPEKY-QHCPKHFHSA-N 430.549 2.181 10 10 IECE COc1ccc(N2CCN(C[C@H](O)CN3CCC[C@@H](C(=O)OC(C)(C)C)C3)CC2)cc1 766952193 OUHDBDAZAOUBEA-CTNGQTDRSA-N 433.593 2.232 10 10 IECE CN1C(=O)C[C@H](C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)[C@H]1c1cccnc1 768912501 ZZJUAQKJDRMKSU-UKILVPOCSA-N 447.583 2.449 10 10 IECE CC(C)N1CCc2c(c3ccccc3n2CC(=O)NS(=O)(=O)c2ncccc2F)C1 774265811 OXTQMKQLKZVPCS-UHFFFAOYSA-N 430.505 2.447 10 10 IECE CCOC(=O)c1cnn2c(O)cc(CN[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3C)nc12 809560719 QDKYMQVHYNWERQ-XJKSGUPXSA-N 433.509 2.347 10 10 IECE O=C(NCc1ccccc1O)[C@H]1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@@H]43)[C@H]12 810275525 PJQKGWBPRIOBLJ-LFYCCGFASA-N 428.488 2.488 10 10 IECE Cc1nccn1CCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccccc1O 1290517959 QCXHWCYHARRILO-UHFFFAOYSA-N 432.488 2.473 10 10 IECE CCOCc1nnc(N2C[C@H](C)[C@@H](N3CCOCC3)C2)n1Cc1ccc(N(C)C)cc1C 1297095373 FBQGAYUKAYKFTJ-UGKGYDQZSA-N 442.608 2.394 10 10 IECE Nc1ncnc2c1ncn2CCC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 1442919543 FICURYSMFJDZPJ-UHFFFAOYSA-N 431.447 2.185 10 10 IECE O=C(CNC(=O)N1CCc2ccccc2C1)NCc1cc(F)c(N2CCOCC2)c(F)c1 1468817069 UDLASOPCGFKIAN-UHFFFAOYSA-N 444.482 2.186 10 10 IECE CCOC(=O)CN(Cc1ccccc1O)C(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21 1469230088 FSNXITJDIZIMFR-SYNHAJSKSA-N 435.546 2.010 10 10 IECE COc1ccc(N2CC[C@@H](CNC(=O)N3CCC([C@H](O)c4nccn4C)CC3)C2)cc1 1470592829 HTTSQYPLAOGTJI-UWJYYQICSA-N 427.549 2.410 10 10 IECE COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3COCCN3C(=O)OC(C)(C)C)C2)cc1 1470774253 YVOHTXIMFYROQC-FUHWJXTLSA-N 434.537 2.209 10 10 IECE 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CCc1nnc(N2CCN(c3ccc(OC)c(F)c3)CC2)n1C[C@H](C)N1CCOCC1 1763100189 NGHLQRGCQKAPKV-KRWDZBQOSA-N 432.544 2.036 10 10 IECE CCOCCCN1C(=O)C(=Cc2c(NCCOC)nc3ccccn3c2=O)SC1=S 2040498715 NTBRBVLQKYVHGV-UHFFFAOYSA-N 448.570 2.381 10 10 IECE O=C(CN1C(=O)C(=Cc2cccc(Br)c2)SC1=S)NN1CCOCC1 2297331997 JDSQCGOJTKJYNB-UHFFFAOYSA-N 442.360 2.014 10 10 IECE C=CCN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(C)c2N2CCN(CC)CC2)SC1=S 33386988 HVRDDPBPVBRVQL-SFQUDFHCSA-N 443.598 2.095 10 10 IECE CS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(-c4cccc(C(=O)O)c4)o3)C(=N)N21 96459566 RCJBYHOINCVLAD-KBVRANJKSA-N 444.450 2.266 10 10 IECE Cc1cc(N2CCN(C(=O)COC(=O)c3ccc(C)c(O)c3O)CC2)nc(C(C)C)n1 727004580 YHVXAPKHLGYZFI-UHFFFAOYSA-N 428.489 2.134 10 10 IECE NC(=O)[C@H](CNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)Cc1ccc(F)cc1 731756857 QDLIENRZRPPZRB-KRWDZBQOSA-N 446.498 2.069 10 10 IECE COC(=O)CCc1nnc(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)s1 737017123 ITNYTQYPHRVXKK-UHFFFAOYSA-N 433.534 2.174 10 10 IECE COc1ccc(N2CCN(CCNC(=O)N3CCC(CN4CCCC4)CC3)CC2)cc1 743363288 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10 IECE CC[C@@H](C)c1nnc(N(C)CCS(C)(=O)=O)n1Cc1ccc(N2CCOCC2)cc1 1495199624 HWAHIOLOIKXJMJ-QGZVFWFLSA-N 435.594 2.157 10 10 IECE CCc1nnc(N2CC[C@H](C(=O)OC)C2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1498896496 SKEXCVAVHXKXSG-IBGZPJMESA-N 427.549 2.097 10 10 IECE CCO[C@@]1(c2nnc(N3CCCN(c4ccc(OC)cc4)CC3)n2CCOC)CCOC1 1502708216 PNRIIMAVCYRKFI-QHCPKHFHSA-N 445.564 2.302 10 10 IECE CN(C)c1ccc(Cn2c([C@H]3CCCO3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)cc1F 1503393117 NPTVZYIBPMPBOX-MAUKXSAKSA-N 437.541 2.006 10 10 IECE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCCC(=O)NCc1ccc2cccnc2c1O 1570533527 GIRSXMOFSZRKGJ-QGZVFWFLSA-N 442.516 2.462 10 10 IECE O=C(NCc1ccc(N2CCOCC2)cc1)[C@H]1COCCN1C(=O)OCc1ccccc1 1597494042 RILROAPDEFBWLZ-JOCHJYFZSA-N 439.512 2.177 10 10 IECE CC[C@H](C)c1nnc(N(C)Cc2ccc(N3CCOCC3)cc2)n1CCS(C)(=O)=O 1613167763 FLJZSSCKPNMVCQ-KRWDZBQOSA-N 435.594 2.309 10 10 IECE COCCn1cc(N2C[C@@H](C(=O)N(Cc3ccco3)Cc3ccccc3O)CC2=O)cn1 1622309827 OPDSASRYUZONRJ-SFHVURJKSA-N 438.484 2.410 10 10 IECE CCN(CC)c1ccc(CNC(=O)[C@@H]2CN(C)C(=O)CN2C(=O)OC(C)(C)C)cc1F 1633263509 IUMKMZZBSSMAGE-SFHVURJKSA-N 436.528 2.366 10 10 IECE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCO1 1635966558 UMVDPGQISIVJAK-FQEVSTJZSA-N 448.564 2.301 10 10 IECE CN(C)c1ccc([C@@H](CNC(=O)c2cccc(S(=O)(=O)NCC3CC3)c2)N(C)C)cc1 1640232191 KDZPLPFBKNYMFT-JOCHJYFZSA-N 444.601 2.474 10 10 IECE Cc1sc2ncn(CC(=O)NCc3ccc(N4CCC(O)CC4)cc3)c(=O)c2c1C 1642155039 BAVFOUMUUQVHRA-UHFFFAOYSA-N 426.542 2.352 10 10 IECE COC(=O)c1cc2n(n1)CCC[C@@H]2NC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 1673825912 HXNDRZWPGPPZFU-YJBOKZPZSA-N 427.505 2.339 10 10 IECE Cn1nccc1[C@H]1C[C@H](NC(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)CCO1 1682412526 JUBVZYRGFIXMGA-DNVCBOLYSA-N 435.475 2.254 10 10 IECE COc1ccc(N2CC[C@@H](NC(=O)NCCn3cc(Br)ccc3=O)C2)cc1 1686632446 PPLUNGFUVDZKLZ-OAHLLOKOSA-N 435.322 2.198 10 10 IECE CC(C)NC(=O)c1nnc(N2C[C@@H]3CCCN3C[C@@H]2C)n1Cc1ccc(N(C)C)c(F)c1 1761208675 CPADOYKCKLFVSJ-WMZOPIPTSA-N 443.571 2.343 10 10 IECE CN(Cc1ccccc1O)c1nnc(C(=O)N2CCCC2)n1Cc1ncnn1C(C)(C)C 1768681067 FWAVBJCTZORTIL-UHFFFAOYSA-N 438.536 2.251 10 10 IECE CCN(C(=O)CCN1C(=O)C(=Cc2ccccc2)SC1=S)[C@H]1CCS(=O)(=O)C1 2296247534 CECFNWDEESZLIB-HNNXBMFYSA-N 438.596 2.314 10 10 IECE C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1C(=O)C(=Cc2ccc(F)cc2)SC1=S 2296556310 CGPUIQAUKIUJQH-RISCZKNCSA-N 442.559 2.061 10 10 IECE Cc1ccc(-n2c(C)cc(C(=O)CN3CCN(CC(=O)N4CCOCC4)CC3)c2C)cc1 28729193 QCTBOPOPWBYFNQ-UHFFFAOYSA-N 438.572 2.062 10 10 IECE COc1ccc(N2CCN(C3=N[C@@H](CC(=O)Nc4ccc(C)cc4F)C(=O)N3)CC2)cc1 40375568 GWUGPEQKKUHGES-FQEVSTJZSA-N 439.491 2.148 10 10 IECE COc1ccc(N2CCN(C[C@@H](O)CN[C@H](C)c3cn(-c4ccccc4)nn3)CC2)cc1 755188907 ZDCNWCAKCPBRLN-KNQAVFIVSA-N 436.560 2.110 10 10 IECE O=C(COC(=O)C1(N2CCOCC2)CCC1)Nc1cccc2c1C(=O)c1ccccc1C2=O 769813927 CSWZDHZHHYWLDA-UHFFFAOYSA-N 448.475 2.199 10 10 IECE COC(=O)[C@H]1CCCC[C@@H]1S(=O)(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 772904182 RTYMTDQSEYBQJM-VXKWHMMOSA-N 449.617 2.370 10 10 IECE CC(=O)NCCc1ccc(S(=O)(=O)NCc2cc(Br)ccc2O)s1 796190579 JMNRLLAQGDUDMI-UHFFFAOYSA-N 433.349 2.373 10 10 IECE C[C@H](OC(=O)[C@]1(C)CCC(=O)NC1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 798778461 KKBLNPHJQQOJMJ-RKNYENMMSA-N 434.448 2.249 10 10 IECE CC1CCN(c2ccc(CNC(=O)C(=O)N[C@H]3CCN(c4ccccc4)C3=O)cc2)CC1 805640199 JZINANFXPMSPEE-QFIPXVFZSA-N 434.540 2.461 10 10 IECE COc1ccc(N2CCN(CCNC(=O)N3CC(O)(c4ccc(Cl)cc4)C3)CC2)cc1 812016507 IKJQGFPDEOWCKS-UHFFFAOYSA-N 444.963 2.384 10 10 IECE O=C(CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)NCCn1cc([N+](=O)[O-])cn1 1126998639 XKTMUHMRHPEMPJ-DHDCSXOGSA-N 449.489 2.338 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CCc4cccc(OC)c4C3)CC2)cc1 1140915723 LTVGWYMZHKQODB-KHPPLWFESA-N 435.524 2.494 10 10 IECE COc1ccc(OC)c([C@@H](O)CNC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c1 1251501219 OSHSTTRFNFSQEZ-RTWAWAEBSA-N 430.549 2.405 10 10 IECE CCOCc1nnc(N(C)CC(=O)NC(C)C)n1Cc1ccc(N2CCSCC2)cc1 1297042865 FZCAQTJBBRDDDE-UHFFFAOYSA-N 446.621 2.377 10 10 IECE CC[C@H](C)[C@@](C)(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1O 1305323765 AYSCMJRSSJZYGH-XPIZARPCSA-N 436.578 2.319 10 10 IECE COc1ccc(N2CCN(CCCNC(=O)C(C)(C)NC(=O)COC(C)(C)C)CC2)cc1 1353707671 XMOIMWNCXNWTLK-UHFFFAOYSA-N 448.608 2.033 10 10 IECE COC(=O)/C=C/c1ccc(C(=O)N2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)o1 1435842621 RNFHZXPOVZQDOX-SOFGYWHQSA-N 430.457 2.454 10 10 IECE CCc1nnc(N2CCC[C@H](CNS(C)(=O)=O)C2)n1Cc1ccc2c(c1)CCCN2C 1546502962 AIOKJMGTIMFVDX-GOSISDBHSA-N 446.621 2.037 10 10 IECE COc1ccc(N2CC[C@H](NC(=O)CN(C)S(=O)(=O)c3ccc(C)c(C)c3)C2)cc1 1587112089 ARJBGDSVZIGFRU-SFHVURJKSA-N 431.558 2.328 10 10 IECE COc1ccc2c(c1)c1c(n2CC(=O)NCc2cccc(S(N)(=O)=O)c2)CCCC1 1624389000 YQRVANOUXAILLD-UHFFFAOYSA-N 427.526 2.493 10 10 IECE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)NCc1ccc(N2CCSCC2)cc1 1624892144 BVRJPBOTQQREQK-LJQANCHMSA-N 434.606 2.407 10 10 IECE CCOCCOC[C@@H](O)CNC(=O)c1cc(C)n(-c2ccc(Br)cn2)c1C 1626655241 KAIIEEFWFALNBH-INIZCTEOSA-N 440.338 2.395 10 10 IECE 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NC(=O)C1CCN(c2ccc(CNC(=O)Cc3ccccc3O[C@@H]3CCOC3)cc2)CC1 1616598183 HWEOLAVFWHMQPO-JOCHJYFZSA-N 437.540 2.415 10 10 IECE O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc2cc(O)c(O)cc2s1 1624338961 ZJUGXSNWMJFRAN-UHFFFAOYSA-N 448.522 2.263 10 10 IECE COC(=O)[C@@]1(C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)C[C@@H]1c1ccccc1 1627050114 IPIIOVCDZAXFJZ-RDGATRHJSA-N 437.540 2.280 10 10 IECE O=C(Cc1ccc(O)c(O)c1)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 1630903611 SEZUQCDLGVGMIL-UHFFFAOYSA-N 437.475 2.212 10 10 IECE COc1cc(N2CCN(C(=O)NC[C@@H]3CCC4(CCOCC4)O3)CC2)cc(OC)c1OC 1638754175 WNZCGCMERFHRLG-SFHVURJKSA-N 449.548 2.272 10 10 IECE Cc1cc(C(=O)N2CCS(=O)(=O)CCO2)c(C)n1-c1ccc(Br)cn1 1640742400 BWHUEIGMLICGIT-UHFFFAOYSA-N 428.308 2.054 10 10 IECE COCC(C)(C)N1CCN(CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)CC1 1643508399 QZCBJZJCSZZFFY-UHFFFAOYSA-N 435.524 2.443 10 10 IECE CN(C)c1ccc([C@@H](CNC(=O)C[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)N(C)C)cc1 1647139397 HZLOPGHRBSDGED-AUSIDOKSSA-N 434.581 2.234 10 10 IECE 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COC(=O)c1coc(S(=O)(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)c1 768575992 RLCYKYTTYHMDAO-UHFFFAOYSA-N 433.530 2.077 10 10 IECE NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N[C@@H](c3ccccc3)c3nc[nH]n3)cc2)C1 782948044 WNBQMXDNJMVMFJ-QUCCMNQESA-N 433.516 2.095 10 10 IECE NC(=O)C1CCN(c2ccc(CNC(=O)NC[C@H](O)Cc3cccc(Cl)c3)cc2)CC1 1255508806 FQKCGCPNYCLFCR-OAQYLSRUSA-N 444.963 2.445 10 10 IECE Cc1cccc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)Cc2ccccc2O)n1 1290015209 BKNJWOVWVRIBEO-MRXNPFEDSA-N 444.561 2.176 10 10 IECE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C)C2)n1CCCSc1nccs1 1291147699 CVULKJKRESVKGP-OLZOCXBDSA-N 430.625 2.373 10 10 IECE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc2c(c1)nc(O)n2CC1CC1 1296058268 JMCFLECXZYUSJE-KRWDZBQOSA-N 439.468 2.467 10 10 IECE COc1ccc(CN2CC[C@@H]2C(=O)NCc2ccc(N3CCN(C(C)=O)CC3)cc2)cc1 1296400721 TXVVFJBNSCNFRM-XMMPIXPASA-N 436.556 2.254 10 10 IECE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N1CCC(c2ccccn2)CC1 1312981542 DRRSWUIEUSBYES-UHFFFAOYSA-N 428.558 2.406 10 10 IECE COc1ccc(N2CCC(NC(=O)CSc3ccc(S(N)(=O)=O)cc3)CC2)cc1 1442925697 IGHUSMFNCMJZMO-UHFFFAOYSA-N 435.571 2.220 10 10 IECE CNC(=O)[C@@H]1CCCN(C(=O)CCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)C1 1465065911 ZZUQQXKKTHHLPT-VQCBNXJZSA-N 435.546 2.402 10 10 IECE CCOCc1nnc(N2CC(=O)N[C@H]3CCCC[C@H]32)n1Cc1ccc(N(C)C)cc1C 1503028058 DEVSLAKUJRWBFT-VQTJNVASSA-N 426.565 2.485 10 10 IECE CC(C)C(=O)NCCN(C)c1nnc(-c2cnccn2)n1Cc1ccc(N(C)C)c(F)c1 1541281164 CGGRTVFAICHVKI-UHFFFAOYSA-N 440.527 2.197 10 10 IECE CC(C)O[C@]1(c2nnc(N(C)Cc3ccccc3O)n2CC2(O)CCOCC2)CCOC1 1541717931 GNJJUBGFZNZIOI-HSZRJFAPSA-N 446.548 2.202 10 10 IECE O=C(NCc1cc(Cl)ccc1O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 1557385906 MDWVRKHTVSHOFA-ZBFHGGJFSA-N 445.324 2.139 10 10 IECE O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)N1CC[C@H](c2nn[nH]n2)C1 1558079558 UPJMOZOOEICHLG-KWJWQAOWSA-N 434.572 2.259 10 10 IECE O=C(NCc1c(O)cccc1O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 1558534785 XWNNOTDPPFXIAL-CYBMUJFWSA-N 440.905 2.139 10 10 IECE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCCNC(=O)NC1CCCCC1 1567306093 CMBYCCPDPTUXCK-KRWDZBQOSA-N 435.521 2.100 10 10 IECE CCS(=O)(=O)C1CN(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)C1 1569037767 XUCBBNQVUDXWBG-NTEUORMPSA-N 444.625 2.375 10 10 IECE O=C(CNC(=O)NCc1ccc(F)cc1)NCc1cc(F)c(N2CCOCC2)c(F)c1 1638688209 DBCZPFGNADYZAB-UHFFFAOYSA-N 436.434 2.056 10 10 IECE COCC[C@H]1CN(C(=O)OC(C)(C)C)CCN1CC(=O)NCc1ccc(N(C)C)cc1 1655042770 NIBYTMBFARYCBD-FQEVSTJZSA-N 434.581 2.327 10 10 IECE CN(Cc1ccc(N(C)C)cc1)C(=O)NCc1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1 1675841374 VAJCXPXCVHLORU-UHFFFAOYSA-N 443.552 2.478 10 10 IECE CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2CCCN(Cc3ccccn3)C2=O)N(C)C)cc1 1680953914 HYZHEXWOUWBHHD-YADHBBJMSA-N 438.576 2.241 10 10 IECE C[C@H](O)[C@@H](NC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1)c1ccccc1F 1684174206 AWTIXDGLMIQGPQ-YCRPNKLZSA-N 428.508 2.449 10 10 IECE CC(C)NC(=O)c1nnc(N2CCN3CCCC[C@H]3C2)n1Cc1ccc(N(C)C)c(F)c1 1692544021 XGMUNUIFRLBCPK-SFHVURJKSA-N 443.571 2.344 10 10 IECE COC(=O)[C@H]1CCCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(N(C)C)c(F)c2)C1 1697028312 GKFZXFNBKNPACU-INIZCTEOSA-N 446.527 2.059 10 10 IECE C[C@H]1CN(c2nnc(-c3cccn3C)n2Cc2ccc(N(C)C)c(F)c2)CC(=O)N1C 1708188620 VRXQBEUMAWOARV-HNNXBMFYSA-N 425.512 2.204 10 10 IECE COc1ccc(N2CCN(C[C@H](O)CN3CCc4ccc(C(C)=O)cc4CC3)CC2)cc1 754075887 RKUXWWIUCYBLLZ-RUZDIDTESA-N 437.584 2.482 10 10 IECE CC(C)N1CCc2c(c3ccccc3n2CC(=O)NS(=O)(=O)C[C@@H]2CCCCO2)C1 774070580 NNPVBQYESZSGKN-KRWDZBQOSA-N 433.574 2.423 10 10 IECE NS(=O)(=O)c1ccc([N+](=O)[O-])cc1NCc1ccc(N2CCN(CC3CC3)CC2)cc1 782356761 AZANLEJQDISJLK-UHFFFAOYSA-N 445.545 2.386 10 10 IECE CCN1CCN(c2ccc(CNC(=O)C(=O)N[C@H](C)c3nc(C)cs3)cc2F)CC1 804504592 SSCTWDYYBDELGE-OAHLLOKOSA-N 433.553 2.226 10 10 IECE COc1cc(N2CCN(C(=O)c3cc(-c4cccnc4)nn3C)CC2)cc(OC)c1OC 1127932266 KAHKDJOSGVADIA-UHFFFAOYSA-N 437.500 2.470 10 10 IECE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1[C@H](C)C=C[C@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]21 1138152835 QUDLCEBFJGHIOI-VJMIKKNNSA-N 440.418 2.131 10 10 IECE COc1ccc(N2CC[C@H](CNC(=O)C[C@H]3CS(=O)(=O)c4ccccc4O3)C2)cc1 1162719004 WKNPFGYYXMTEPM-APWZRJJASA-N 430.526 2.263 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3Cc4ccccc4NC(=O)[C@H]3C)CC2)cc1 1166311428 BEJFBLJDMBRTMF-IENJSVCTSA-N 448.523 2.269 10 10 IECE O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1ncc(Cl)cn1 1355342544 SEIMZLMMSXTBCX-UHFFFAOYSA-N 427.871 2.316 10 10 IECE CN(C)c1ccc2c(c1)OCCN2C(=O)c1cn(CCCNC(=O)OC(C)(C)C)nn1 1361101665 AYEVXEJLTAXVTC-UHFFFAOYSA-N 430.509 2.298 10 10 IECE CN1CCN(c2ccc(CNC(=O)c3ccc4c(c3)CCCN4S(C)(=O)=O)cc2)CC1 1438889253 ZNCXYRUWVPGCTQ-UHFFFAOYSA-N 442.585 2.081 10 10 IECE COCCn1cc(N2C[C@@H](C(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)CC2=O)cn1 1524894452 HFBYEEIBWFPCFQ-IBGZPJMESA-N 427.549 2.386 10 10 IECE CN1CC(=O)Nc2cc(C(=O)N[C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3)cnc21 1533328713 KDUYGIJKMJALQB-CQSZACIVSA-N 431.443 2.470 10 10 IECE Cc1cc(C=O)c(C)n1-c1cccc(C(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)c1 1543918772 VCJOMVMJBCVAFV-UHFFFAOYSA-N 436.516 2.033 10 10 IECE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)CC1CCN(CC(F)(F)F)CC1 1638029965 BZRSLARPBOPBEM-HNNXBMFYSA-N 432.439 2.353 10 10 IECE Cc1cc(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)c(C)n1-c1cnccn1 1641098153 SIBFTHWFCWVOOE-UHFFFAOYSA-N 439.541 2.049 10 10 IECE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](NC(=O)c3cc(NS(C)(=O)=O)ccc3O)C[C@H]1C2 1644946145 OZOYBXMTLTUFTK-NWANDNLSSA-N 439.534 2.282 10 10 IECE CN(CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)[C@H](c1ccccc1)c1nc[nH]n1 1646080287 HTDFWPUSKHEDLI-JOCHJYFZSA-N 438.507 2.118 10 10 IECE COc1ccc(N2CCN(C(=O)NCc3ncc(Br)cn3)CC2)c(OC)c1 1685565843 UNKOKANDICJUTR-UHFFFAOYSA-N 436.310 2.288 10 10 IECE COCCN1C(=O)C(=Cc2c(N3CCSCC3)nc3ccccn3c2=O)SC1=S 2040498904 PYYCAYUNRQRUQR-UHFFFAOYSA-N 448.595 2.095 10 10 IECE CCN(C(=O)CN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)[C@@H]1CCS(=O)(=O)C1 33539263 WPABPHYERKCDAZ-UWZYDCLUSA-N 442.559 2.063 10 10 IECE O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N1CCN(c2cccnn2)CC1 751060244 IJRBUAKIZSCURH-UHFFFAOYSA-N 445.526 2.007 10 10 IECE COc1ccc(N2CCN(CCNc3ncc(I)cn3)CC2)cc1 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Cc1cc(N(C)C)ccc1Cn1c([C@H]2CCCOC2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1742141171 ACQOUJCXBKJOCJ-ICSRJNTNSA-N 447.605 2.218 10 10 IECE CCc1nnc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)n1Cc1ccc(N(C)C)cc1C 1764898818 IPWPDKZGBXYAAQ-FQEVSTJZSA-N 426.565 2.091 10 10 IECE CNC(=O)CCn1c(-c2cccn2C)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1769327868 LWQBPRKYNNRHSF-UHFFFAOYSA-N 437.548 2.145 10 10 IECE COc1cc(N2C(=O)C(=Cc3ccc([N+](=O)[O-])o3)C(=O)NC2=S)cc(OC)c1OC 2297534065 OXXOUGAFBZHNPE-UHFFFAOYSA-N 433.398 2.045 10 10 IECE N[C@H](CC(=O)O)c1cc(I)cc(I)c1O 44216253 QRIIHACXDWJOKG-SSDOTTSWSA-N 432.983 2.076 10 10 IECE CSC1=NC(=O)C2=c3cc(Br)ccc3=N[C@@H](c3ccc(N(C)C)cc3)N2N1 588225007 HFPQZGUHENBYRJ-QGZVFWFLSA-N 444.358 2.021 10 10 IECE C[C@H](OC(=O)c1cccn(C)c1=O)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 733506477 NNKMRVOIIUFLIR-ZDUSSCGKSA-N 430.416 2.345 10 10 IECE O=C(c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O)N1CCN2CCC1CC2 787523800 RHLIPDNMZPPBLY-UHFFFAOYSA-N 446.485 2.021 10 10 IECE 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C[C@H]1CN(C(=O)Cn2cc(NC(=O)c3cc4cc(O)c(O)cc4s3)cn2)C[C@@H](C)O1 1545117622 FIMUFRBHDFDTCG-TXEJJXNPSA-N 430.486 2.397 10 10 IECE CN(C)c1ccc([C@@H](CNC(=O)c2nn(C)cc2I)N(C)C)cc1 1618641934 CRVADTBMLXXALR-OAHLLOKOSA-N 441.317 2.123 10 10 IECE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)c3cccc4ccn(C)c34)cc2)CC1 1622026999 VKAKNAAVKOZBPE-UHFFFAOYSA-N 426.542 2.325 10 10 IECE O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N1CCN2C[C@@H](F)C[C@H]2C1 1624764655 SNLOUHKQOCQQSI-JSGCOSHPSA-N 425.507 2.123 10 10 IECE O=C(CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)NC/C=C/CO 1628955359 PNOLVFFLMHHTBO-CMDORJNJSA-N 427.345 2.315 10 10 IECE NC(=O)[C@H]1CC[C@H](CNC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)CC1 1630296447 ISFSODHYOIBYMP-JOCQHMNTSA-N 437.543 2.276 10 10 IECE O=C(NCCc1ccc(S(=O)(=O)N2CCCCC2)s1)c1c(F)ccc(O)c1O 1648597165 CEDCIWRDVVIXPE-UHFFFAOYSA-N 428.507 2.446 10 10 IECE COCCS(=O)(=O)c1ccc(CNC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)cc1 1681581289 DENVRFUVBDTAQC-SFHVURJKSA-N 447.557 2.193 10 10 IECE O=C(NCCc1nnc(S)n1C1CC1)NCc1cc(F)c(N2CCOCC2)c(F)c1 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O=C1/C(=C/c2cccs2)SC(=S)N1CCCC(=O)N1[C@H](CO)CC[C@H]1CO 1163517412 CFFUKDXAUFXOLY-IFOMGDBJSA-N 426.585 2.074 10 10 IECE NC(=O)CCN(Cc1ccccc1)C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 1251750760 MWAFRQCCUXCFLE-UHFFFAOYSA-N 432.471 2.389 10 10 IECE COc1ccc(N2CC[C@@H](NC(=O)c3ccc4c(c3)C[C@H](C)N4S(C)(=O)=O)C2)cc1 1278860792 BFJCTDNFMUTLMY-MAUKXSAKSA-N 429.542 2.415 10 10 IECE COC(=O)[C@H](CCC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)NC(=O)OCc1ccccc1 1296246078 KGAVTIQHTSFKHR-YJBOKZPZSA-N 444.484 2.393 10 10 IECE Cc1cc(C(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)c(C)n1-c1ccc(Br)cn1 1300221891 JPKBUCHZHYSUEI-CQSZACIVSA-N 441.351 2.015 10 10 IECE COC[C@H]1CN(c2nnc(-c3cccn3C)n2Cc2ccc(N(C)C)c(F)c2)CCO1 1315935942 VPTCQHQBWDQGSS-QGZVFWFLSA-N 428.512 2.389 10 10 IECE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N1CCC(O)(c2ccccc2)CC1 1470752056 DRRSRNNEFLXEOS-UHFFFAOYSA-N 443.569 2.115 10 10 IECE C[C@@H]1CN(c2ccc(CNC(=O)CN[C@@](C)(CO)c3cccc(O)c3)cc2F)C[C@@H](C)O1 1473514704 RPYZLDXCEPEBJV-OJLQRUNKSA-N 445.535 2.258 10 10 IECE COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCCCN(CC(=O)OC(C)(C)C)C2=O)c1 1565247213 NYOONKAWTIAXCK-YOEHRIQHSA-N 435.521 2.484 10 10 IECE COc1ccc(N2CCN(C[C@@H](O)COc3c(OC)cccc3OC)CC2)c(OC)c1 1620515189 BTYZMXCYZLVEHY-QGZVFWFLSA-N 432.517 2.283 10 10 IECE COC(=O)c1cc(OCC(=O)NCc2cccc(C(=O)NC3CC3)c2)ccc1N(C)C 1641368449 GZHOYJCEDWSICW-UHFFFAOYSA-N 425.485 2.127 10 10 IECE COc1cc(-n2cnnn2)c(Cl)cc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C 1653421187 JJAVVMXONVAZEP-IBGZPJMESA-N 443.939 2.423 10 10 IECE CN1CCN(c2ccc(CNC(=O)N3CC[C@@H](C(=O)NCc4ccccc4)C3)cc2)CC1 1675580376 LORXVVGGPBPUCT-JOCHJYFZSA-N 435.572 2.286 10 10 IECE CCc1nnc(N2CCC[C@@H](C(=O)NC)C2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1694700699 DZTXIUVFYARLSQ-HXUWFJFHSA-N 440.592 2.060 10 10 IECE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)c3cccc(OC(C)=O)c3)CC2)cc1 1862118630 YIFLYHZXNFCIQR-MRXNPFEDSA-N 425.485 2.088 10 10 IECE O=C(O)c1cc(NS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)ccc1O 2145922541 ITRAEHLRWHDGTR-UHFFFAOYSA-N 432.454 2.299 10 10 IECE COC(=O)c1cnn(-c2ccc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)cc2)c1N 21652232 BIGXNXNZFTWQTI-UHFFFAOYSA-N 435.484 2.212 10 10 IECE COc1ccc(N2CCN(CCCNC(=O)C3(c4cc(C)no4)CCOCC3)CC2)cc1 1124584953 JAGSUNUGISYWBU-UHFFFAOYSA-N 442.560 2.368 10 10 IECE CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1155604130 NBPHTBXYZASXKI-GOSISDBHSA-N 448.589 2.315 10 10 IECE O=C(CN1CCN(c2cc(Cl)ccn2)CC1)NCc1ccc(N2CCOCC2)c(F)c1 1176287469 FCBWBEQUXAIFED-UHFFFAOYSA-N 447.942 2.149 10 10 IECE COc1ccc(N2CCN(C(=O)[C@]34COC[C@H]3CN(C(=O)OC(C)(C)C)C4)CC2)cc1 1294756094 SHESSVVLGFSFTG-UZUQRXQVSA-N 431.533 2.227 10 10 IECE CCOCCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1297489753 WACOHQHVDGSQNJ-FQEVSTJZSA-N 442.564 2.129 10 10 IECE CC[C@H](C)[C@](C)(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1O 1305323759 AYSCMJRSSJZYGH-LUQKVYGDSA-N 436.578 2.319 10 10 IECE COc1ccc(N2CC[C@@H](NC(=O)NCc3ccc(CS(=O)(=O)N(C)C)cc3)C2)cc1 1478957439 OTOAKOYSQSYUGB-LJQANCHMSA-N 446.573 2.165 10 10 IECE C[C@H](C(=O)NCc1ccc2cccnc2c1O)N1CCN(C(=O)OC(C)(C)C)CC1=O 1570533607 JQQWSYLITMVKRE-CQSZACIVSA-N 428.489 2.024 10 10 IECE C[C@@H]1CN(CCNC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)[C@H](C)CO1 1584191070 OWTQFIAKFFRJED-ZIAGYGMSSA-N 439.559 2.094 10 10 IECE C[C@H](CN1CCOCC1)Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccccc1O 1611622133 XYAMLAAOQKXAHA-UYAOXDASSA-N 429.565 2.482 10 10 IECE C[C@H]1CN(c2cccc(CN(C)CC(=O)NCc3ccc(N(C)C)cc3)c2)S(=O)(=O)C1 1645447426 IEKUVSWXVRANQG-SFHVURJKSA-N 444.601 2.287 10 10 IECE COc1ccc(N2CCN(C[C@H](O)CN3CCO[C@@H](c4ccccc4OC)C3)CC2)cc1 1648056721 LLQYFZVVLLDZLL-SQJMNOBHSA-N 441.572 2.260 10 10 IECE CN(C)c1ccc([C@@H](CNC(=O)N2CCC[C@H](CNC(=O)C(F)(F)F)C2)N(C)C)cc1 1676653639 SXGOWKQUSPXHJT-CRAIPNDOSA-N 443.514 2.455 10 10 IECE O=S1(=O)CC[C@H](c2nnc(N3CCCOCC3)n2CCCSc2nccs2)C1 1698532475 YICPGFMWXIONFA-AWEZNQCLSA-N 443.620 2.046 10 10 IECE COC(=O)C[C@@H]1CN(c2nnc(C3CCC3)n2Cc2ccc(N(C)C)cc2C)C[C@H]1O 1711460928 BEMKABJKDYMQNL-UYAOXDASSA-N 427.549 2.329 10 10 IECE C[C@@H](CC(N)=O)N(C)c1nnc(Cc2cccnc2)n1Cc1ccc(N(C)C)c(F)c1 1741811166 BNZUWSDHYRIMOC-HNNXBMFYSA-N 425.512 2.217 10 10 IECE COc1ccc(N2CCN(C(=O)c3nc([C@@H]4CC(=O)N(C)C4)n4ccccc34)CC2)cc1 1858218992 WGVWYFFCHAKQOT-QGZVFWFLSA-N 433.512 2.251 10 10 IECE CCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NC[C@H](C)O)ncnc21 1875200190 YNSGOFBCSJHGKL-INIZCTEOSA-N 438.532 2.215 10 10 IECE C[C@H](NC(=O)CN1C(=O)C(=Cc2cccc(Br)c2)SC1=S)C(=O)O 2314828365 RZZXIQJLFJDJPX-QMMMGPOBSA-N 429.317 2.240 10 10 IECE CC[C@@H](Oc1cccc(C=C2SC(=S)N(CCS(=O)(=O)O)C2=O)c1)C(=O)O 2314928466 WHHFUTSVSNWMRK-GFCCVEGCSA-N 431.513 2.018 10 10 IECE O=C(CSc1nc(-c2ccco2)nc2cc(=O)[nH]n12)NCCc1nc2ccccc2[nH]1 9641671 FIHTUQMJIWHBDW-UHFFFAOYSA-N 435.469 2.005 10 10 IECE COc1cc(NC(=S)NC(=O)COc2ccccc2)c(N2CCOCC2)cc1OC 20496645 QLZMGAAKSLQDBS-UHFFFAOYSA-N 431.514 2.432 10 10 IECE COc1ccc(N2CCN(C(=O)NCC[C@@](O)(c3nccn3C)C(F)(F)F)CC2)cc1 107936809 KVHVTLDQMSGEOJ-LJQANCHMSA-N 441.454 2.101 10 10 IECE NS(=O)(=O)c1ccc(CN2C(=O)/C(=C/c3cnn4ccccc34)SC2=S)cc1 729688058 RWADNEXVLPKGJP-SXGWCWSVSA-N 430.536 2.383 10 10 IECE COc1cc(N(C)CC(=O)N2CCN(C(=O)c3cccs3)CC2)cc(OC)c1OC 741795720 NBRROSFRCYDCEG-UHFFFAOYSA-N 433.530 2.195 10 10 IECE Cn1cc(N2CCC[C@@H](OC(=O)c3ccc4c(c3N)C(=O)c3ccccc3C4=O)C2=O)cn1 744473418 FAFDRTYTTDWQGM-GOSISDBHSA-N 444.447 2.130 10 10 IECE CN(C)C(=O)C1CCN(C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)CC1 751058482 BBPCOGYCWLLJHK-UHFFFAOYSA-N 437.543 2.195 10 10 IECE COCCN(C(=O)NCCc1cc(C)n(-c2ccccc2)c1C)[C@@H]1CCS(=O)(=O)C1 774153404 NPIKIICGHPCZBQ-OAQYLSRUSA-N 433.574 2.482 10 10 IECE CC(=O)N1CCN(c2ccc(CNC(=O)c3cc(C)n(-c4nc(C)cc(C)n4)n3)cc2)CC1 786256754 VUTHRJQFNPFDFN-UHFFFAOYSA-N 447.543 2.186 10 10 IECE CC[C@H](C)c1nnc(N2CCO[C@H](CNC(C)=O)C2)n1Cc1ccc(N(C)C)c(F)c1 1305556941 AJKYHIZINSXWQF-MAUKXSAKSA-N 432.544 2.386 10 10 IECE CN(Cc1ccccc1O)c1nnc(-c2cnccn2)n1CCCCN1CCC[C@H]1CO 1314753164 LKJNUABCKZDBHY-IBGZPJMESA-N 437.548 2.314 10 10 IECE NC(=O)[C@H]1CCN(c2nnc(Cc3cccnc3)n2CCCSc2nccs2)C1 1316546288 NAXIACKIZIUMBR-HNNXBMFYSA-N 429.575 2.214 10 10 IECE NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3ccc([N+](=O)[O-])c(-n4ccnc4)c3)cc2)C1 1355478421 ZVQSZRZLXDVVOU-SFHVURJKSA-N 448.483 2.412 10 10 IECE NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CSC(c4ccccc4O)=N3)cc2)C1 1441948995 UKISIJLSQHDVTJ-LPHOPBHVSA-N 438.553 2.272 10 10 IECE O=C(CNS(=O)(=O)c1ccc2c(c1)OCCCO2)NCc1c(O)ccc2ccccc12 1472086264 RUGVIKCAZFXYDE-UHFFFAOYSA-N 442.493 2.301 10 10 IECE C[C@H]1C(=O)N(C)CCN1c1nnc(Cc2ccccn2)n1Cc1ccc(N(C)C)c(F)c1 1493184385 LQCMNHNDTIDXNF-INIZCTEOSA-N 437.523 2.184 10 10 IECE Cc1ccc(C(=O)N2CCC[C@H](n3cc(CNC(=O)OC(C)(C)C)nn3)C2)c(O)c1O 1556911386 ZRSXJZZXVGMCSJ-HNNXBMFYSA-N 431.493 2.500 10 10 IECE CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H](O)c3cccc(Br)c3)cc2)CC1 1567591331 FLZYJYPIBIGCHO-FQEVSTJZSA-N 446.345 2.467 10 10 IECE COC(=O)[C@H]1C[C@@H](O)CN(C(=O)c2cc(C)n(-c3ccc(Br)cn3)c2C)C1 1583656583 NDYXZSQNXIRRBC-DZGCQCFKSA-N 436.306 2.248 10 10 IECE O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 1596684524 QNQWIDSRFBGTJU-UHFFFAOYSA-N 444.398 2.220 10 10 IECE COC[C@@H]1CN(c2nnc(CC(C)C)n2Cc2ccc(N3CCOCC3)c(F)c2)CCO1 1619746552 KCZLYLBJEYZOHN-IBGZPJMESA-N 447.555 2.352 10 10 IECE CCOCn1nc(C)c(CC(=O)N2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)c1C 1624804815 LXPVZMPGNCOFLX-UHFFFAOYSA-N 446.548 2.411 10 10 IECE Cc1cc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)NCCC(N)=O)c(C)n1-c1ccccc1 1629699847 MKICWLIERZMKJG-QHCPKHFHSA-N 446.551 2.356 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CC[C@H](Cc4nccs4)C3)CC2)cc1 1637205776 KXKUHIBJCXIJTI-HPFMTEOYSA-N 440.569 2.448 10 10 IECE CON(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCC[C@@H]1NC(=O)NC1=O 1712656071 SENHTMKHHIZKAH-SFHVURJKSA-N 437.504 2.338 10 10 IECE CN(Cc1ccccc1O)c1nnc(C(=O)N2CCCC2)n1C[C@@](C)(O)c1ccco1 1729418310 CRSNRGMGNGTWAY-JOCHJYFZSA-N 425.489 2.357 10 10 IECE COCCN1C[C@@H](Cn2c(C)nnc2N(C)Cc2ccc(N3CCCC3)cc2)CC1=O 1730776556 NDFZTZAPJVSWDK-FQEVSTJZSA-N 426.565 2.318 10 10 IECE CC[C@H](C)[C@@](C)(O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccccc1O 1743480144 AQZJUVFNXCCSJA-AVYPCKFXSA-N 439.582 2.027 10 10 IECE CC(C)NC(=O)c1nnc(N2CCCO[C@@H](C)C2)n1Cc1ccc2c(c1)CCCN2C 1761231435 UJGDLFFFEFWQFH-KRWDZBQOSA-N 426.565 2.462 10 10 IECE CCOc1ccc(/C=C2/SC(=S)N(CC(=O)NCCCN3CCOCC3)C2=O)cc1 33413932 YGEFCJYZYWCKQL-NBVRZTHBSA-N 449.598 2.125 10 10 IECE CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1 727753065 IQFIRRVSRNJGJN-RXVVDRJESA-N 448.633 2.271 10 10 IECE COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1cc(NS(C)(=O)=O)ccc1O 757670131 LMFJLXBCAOSEPX-UHFFFAOYSA-N 441.893 2.136 10 10 IECE CCOC(=O)c1ccn(-c2ccccc2NC(=O)c2cc(NS(C)(=O)=O)ccc2O)n1 769785557 KGGJGHWZPCCRLU-UHFFFAOYSA-N 444.469 2.378 10 10 IECE C[C@H]1[C@@H](C)N(C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)CC[S@@]1=O 769886760 DWVOJGNOFWPPDT-VCQIMIBNSA-N 428.557 2.236 10 10 IECE COC(=O)[C@@]1(NC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)CCSC1 770128401 GUPZSFJJCMZAIN-QGZVFWFLSA-N 442.540 2.033 10 10 IECE C[C@H]1CN(c2ccc(CNC(=O)C(=O)NC3CC(N4CCCCC4)C3)cc2F)C[C@H](C)O1 789820985 RKHXKWOYKZUASZ-BEEJXANESA-N 446.567 2.189 10 10 IECE COc1ccc(-c2csc(NS(=O)(=O)c3cccc(S(N)(=O)=O)c3)n2)cc1 817943129 IZYKMHXIRLBVOZ-UHFFFAOYSA-N 425.513 2.267 10 10 IECE CCS(=O)(=O)NCc1ccc(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)cc1 1148701220 NGDLCEPVFLJONV-UHFFFAOYSA-N 431.558 2.017 10 10 IECE C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3CC[C@H]2C3)n1Cc1ccc(N(C)C)c(F)c1 1288808819 PBHRUYWGYOQYGM-DZKIICNBSA-N 436.557 2.130 10 10 IECE O=C(CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)N1CCCS(=O)(=O)CC1 1293127223 YCJHZEYYYJNRGL-NTCAYCPXSA-N 442.559 2.064 10 10 IECE CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H](O)[C@@](O)(c1ccccc1)C(F)(F)F 1299700145 ZMTOGVDIWOQQAJ-QUCCMNQESA-N 441.402 2.095 10 10 IECE CCS(=O)(=O)CCn1c(CC(C)C)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1314536431 NRGGLIMEVWEPOC-UHFFFAOYSA-N 449.621 2.384 10 10 IECE COc1ccc(O)c([C@@H](C)NC(=O)Cn2nc(Br)c(Br)n2)c1 1465993881 YGWPEMQPUHEUCK-SSDOTTSWSA-N 434.088 2.395 10 10 IECE CN(C)C(=O)[C@H]1CCCN1CCCn1c(C2CC2)nnc1N(C)Cc1ccccc1O 1503358728 HVEVGNSJSDEIRJ-LJQANCHMSA-N 426.565 2.440 10 10 IECE Cc1ccc2c(c1)[C@@]1(N[C@@H](Cc3ccc(O)c(O)c3)[C@@H]3C(=O)N(C(C)(C)C)C(=O)[C@@H]31)C(=O)N2 1565532711 HCNRHKZZSADFHD-BEWIQRDWSA-N 449.507 2.168 10 10 IECE COC(=O)[C@@H]1C[C@H](C(=O)OC)CCN1C(=O)Cc1ccc(-n2c(C)cc(C=O)c2C)cc1 1566738127 YDQKQPZBHXWLJO-NQIIRXRSSA-N 440.496 2.402 10 10 IECE NC(=O)C1CCN(c2ccc(CNC(=O)C[C@H]3CCC4(CCOCC4)CO3)cc2)CC1 1616601112 WOAHIKRHHIPOQM-OAQYLSRUSA-N 429.561 2.370 10 10 IECE COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)Cc1ccccc1NS(C)(=O)=O 1631534224 VERWTNNJNMCRED-UHFFFAOYSA-N 440.905 2.161 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CCC(c4ccncn4)CC3)CC2)cc1 1637931038 RXNDQFDCUXBNFQ-VOTSOKGWSA-N 435.528 2.096 10 10 IECE COCCN(CCF)C(=O)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O 1640986954 JIOWCHXCTRNWIB-UHFFFAOYSA-N 441.437 2.159 10 10 IECE C[C@H](C(=O)NCc1ccc(N2CCC(O)CC2)cc1)c1ccc(S(=O)(=O)N(C)C)cc1 1642155032 ATSYPDQVIBSXSB-KRWDZBQOSA-N 445.585 2.318 10 10 IECE CN(C)c1ccc([C@H](CNC(=O)CCC(=O)N2CC(=O)Nc3ccccc32)N(C)C)cc1 1647082793 VEXZCUSYGWJJIP-NRFANRHFSA-N 437.544 2.237 10 10 IECE COc1cc(-n2cnnn2)c(Cl)cc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C 1653421196 JJAVVMXONVAZEP-LJQANCHMSA-N 443.939 2.423 10 10 IECE CCOc1ccc(N2CCN(C(=O)NC[C@H]3CCN(c4ccc(OC)cc4)C3)CC2)nn1 1682188124 HILONKURLLWCCH-GOSISDBHSA-N 440.548 2.242 10 10 IECE CCc1nnc(N(C)Cc2ncnn2CC(F)F)n1Cc1ccc(N2CCOCC2)cc1 1709040747 IUHLTIPKEDINSM-UHFFFAOYSA-N 446.506 2.218 10 10 IECE CCc1nnc(Cn2c(C(=O)N3CCCC3)nnc2N(C)Cc2ccccc2O)s1 1764682547 CWOIBAXHKPOORK-UHFFFAOYSA-N 427.534 2.318 10 10 IECE CC[C@@H](NC(=O)c1cccc(OC(C)=O)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862116258 XTGVDSIVYICNFA-JOCHJYFZSA-N 439.512 2.478 10 10 IECE COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCOC[C@@H]2C)n1 1869117557 GMIKMYBWJCIZHC-SFHVURJKSA-N 427.549 2.226 10 10 IECE Cc1ccc2nc(N3CCCC3)c(/C=C3\SC(=S)N(CCC(=O)O)C3=O)c(=O)n2c1 33450160 NKEBDIQFRRWUHQ-UVTDQMKNSA-N 444.538 2.279 10 10 IECE C[C@H]1CN(c2ccc(CNC(=O)N(C)C[C@H]3CCS(=O)(=O)C3)cc2F)C[C@@H](C)O1 740907578 QFWHESQERNYANF-HLLBOEOZSA-N 427.542 2.015 10 10 IECE C[C@@H]1CN(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CCN1CCO 779309228 CDWWAILHKURUJV-RGHBXIHOSA-N 439.628 2.255 10 10 IECE COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1CC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 786447740 YELUUDSFVKPVLJ-BPUAZMIESA-N 447.551 2.329 10 10 IECE C[C@H]1CN(c2ccc(CNC(=O)Cn3c(O)nc4ccccc4c3=O)cc2F)C[C@@H](C)O1 917715411 QIPSWHGIWGYZFI-GASCZTMLSA-N 440.475 2.171 10 10 IECE CCOC1(C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)CCOCC1 1125312769 OUQZJPCVQHFSML-UHFFFAOYSA-N 443.523 2.144 10 10 IECE COc1ccc(N2CCCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)CCN3C)CC2)cc1 1136336223 HMWHHDZNBTYJFV-HXUWFJFHSA-N 432.565 2.285 10 10 IECE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2CC[C@H]1N(C(=O)c1cc(NS(C)(=O)=O)ccc1O)C2 1175429154 VZZRQVMWAPYRMS-DAXOMENPSA-N 439.534 2.282 10 10 IECE CC(=O)N1CCN(c2nnc(-c3cnccn3)n2CCCSc2nccs2)[C@@H](C)C1 1508251442 JCYNJLRWHKVYOU-AWEZNQCLSA-N 444.590 2.431 10 10 IECE CCc1nnc(N2CC[C@@](C)(C(=O)NC)C2)n1Cc1ccc(N2CCSCC2)cc1 1513842086 QCTOIWVPVFDDDQ-JOCHJYFZSA-N 428.606 2.404 10 10 IECE CN(C)c1ccc(Cn2c(C(=O)N3CCCC3)nnc2N(C)Cc2cnn(C)c2)cc1F 1516994506 CFUTVIFOYMYEBG-UHFFFAOYSA-N 440.527 2.137 10 10 IECE COc1ccc(N2CCN(c3nnc(C(C)C)n3CC(=O)NCC3CC3)CC2)cc1F 1554958815 GVYWUQCXURWJBB-UHFFFAOYSA-N 430.528 2.402 10 10 IECE COC[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(N(C)C)cc2C)C1 1555369633 HZJPSWZWHQCIOB-PKOBYXMFSA-N 447.605 2.076 10 10 IECE CNC(=O)[C@]1(C)CCN(c2nnc([C@H]3CCOC3)n2CCCSc2nccs2)C1 1618587941 SWMFVRHWSFNVJH-IFXJQAMLSA-N 436.607 2.383 10 10 IECE COc1ccc(N2CCN(CCNC(=O)Cc3cccnc3Br)CC2)cc1 1625951499 DIKRMIPEAHKBIA-UHFFFAOYSA-N 433.350 2.334 10 10 IECE NC(=O)[C@@H](C1CC1)N(CC1CC1)C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 1643878613 VLPOKNFQPARCBO-GOSISDBHSA-N 449.554 2.371 10 10 IECE COc1cc(N2CCN(C(=O)NCc3nc(C(F)F)no3)CC2)cc(OC)c1OC 1687661097 DQHVTUUKNJQOEA-UHFFFAOYSA-N 427.408 2.065 10 10 IECE Cc1cc(N(C)C)ccc1Cn1c([C@H]2CCCOC2)nnc1N(C)CCN1CCOCC1 1742141376 FGJKZWFSKOWHDW-NRFANRHFSA-N 442.608 2.363 10 10 IECE CN([C@H]1CCN(C(=O)OCc2ccccc2)C1)S(=O)(=O)CCOc1ccc(N)cc1 2163011548 ZJEZPNKGAOWHAG-IBGZPJMESA-N 433.530 2.320 10 10 IECE CC(C)(C)OC(=O)N1CCN(C(=O)CNCc2c(O)cccc2Br)CC1 706821284 BBZAUSQIAPMFFE-UHFFFAOYSA-N 428.327 2.324 10 10 IECE CCS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2cccc(N3CCOCC3)c2)cc1F 765635788 IKHLTIFBEMYVIJ-UHFFFAOYSA-N 443.522 2.225 10 10 IECE C[C@H]1C(=O)N(C)CCN1c1nnc(C(C)(C)C)n1Cc1ccc(N2CCOCC2)cc1 1290977203 XZLSMOUGOZSWFC-KRWDZBQOSA-N 426.565 2.127 10 10 IECE CNC(=O)[C@H]1CCCN(c2nnc(C(C)C)n2Cc2ccc(N3CCOCC3)c(F)c2)C1 1299064044 CVZNELPQEGNFKX-SFHVURJKSA-N 444.555 2.388 10 10 IECE CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(N(C)C)c(F)c2)C1 1314973077 LGHHQZGCOAIMOX-JOCHJYFZSA-N 425.512 2.489 10 10 IECE C[C@H]1CS(=O)(=O)CCN1C(=O)CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S 1556211121 YJYYSBMDZKJMNQ-GQVHDAKQSA-N 442.559 2.063 10 10 IECE Cc1cc(N(C)C)ccc1Cn1c(C(=O)NC(C)C)nnc1N(C)CC(=O)NC(C)(C)C 1611962145 BYVNBKSWLCOZSI-UHFFFAOYSA-N 443.596 2.190 10 10 IECE CN(C)c1ccc([C@@H](CNC(=O)/C=C/CN2CCOCC2)NC(=O)OC(C)(C)C)cc1 1618252778 GUISHLVDZIUHMO-ROUKRRSUSA-N 432.565 2.323 10 10 IECE Cc1cc(C(=O)N(CC(N)=O)C2CCOCC2)c(C)n1-c1ccc(Br)cn1 1651070946 MSLNCXFNEYFZEL-UHFFFAOYSA-N 435.322 2.358 10 10 IECE COCCOC[C@H]1CCN(c2nnc(C)n2Cc2ccc(N3CCC(CO)CC3)cc2)C1 1698211633 MIEFOAWDRUIHGG-QFIPXVFZSA-N 443.592 2.333 10 10 IECE CN(Cc1ccccc1O)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC1CCOCC1 1711095404 KYKYDSWYUPNXPG-GOSISDBHSA-N 434.562 2.339 10 10 IECE COCC[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(N(C)C)c(F)c2)C1 1749641553 LYXNIFHNJJSIDV-CRAIPNDOSA-N 430.528 2.345 10 10 IECE Cc1nnc(N(C)Cc2ccc(N3CCOCC3)cc2)n1C[C@@H]1CN(CC(C)C)CCO1 1751880593 VQKJACMCAOXUMM-QHCPKHFHSA-N 442.608 2.416 10 10 IECE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)c3cc(OC)ccc3[N+](=O)[O-])CC2)cc1 1862039909 BPUGDTPZLBGKMI-OAHLLOKOSA-N 442.472 2.079 10 10 IECE CC(C)(CNC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1)N1CCOCC1 768676035 CMMVLTBUVDBDEI-UHFFFAOYSA-N 429.609 2.129 10 10 IECE Cc1cc(C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)nc2nc(O)nc(O)c12 769164702 KDOTZGWICSLTJZ-UHFFFAOYSA-N 448.527 2.206 10 10 IECE COc1ccc(N2CCN(C[C@H](O)CN3CCC[C@@H]3CNC(=O)OC(C)(C)C)CC2)cc1 779222717 VXOKPHUIFQMSLQ-RTWAWAEBSA-N 448.608 2.167 10 10 IECE O=C(NCc1ccc(N2CCOCC2)c(F)c1)C(=O)NCc1c(F)cc(F)c(F)c1F 1117090576 PVUNPROWFFCJAI-UHFFFAOYSA-N 443.372 2.151 10 10 IECE Cc1cc(C(=O)NCCCCS(N)(=O)=O)c(C)n1-c1ccc(Br)cn1 1141508958 SXRSLYBDNIUJPA-UHFFFAOYSA-N 429.340 2.050 10 10 IECE CCOC(=O)CN(Cc1ccccc1O)C(=O)CS[C@@H](C)C(=O)Nc1cc(C)on1 1162539677 LDFFVAKLQCNWKN-AWEZNQCLSA-N 435.502 2.341 10 10 IECE CCn1c(CCC(=O)N2Cc3cccc(O)c3C2)nc2cc(S(=O)(=O)N(C)C)ccc21 1175029600 IKMLSWGUVFGARR-UHFFFAOYSA-N 442.541 2.487 10 10 IECE NC(=O)C1CCN(c2ccc(CNC(=O)NCC3CCN(CC4CC4)CC3)cc2)CC1 1233739938 JHEWJLIVJAKXJL-UHFFFAOYSA-N 427.593 2.310 10 10 IECE CC(C)Cc1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1Cc1ccc(N2CCOCC2)c(F)c1 1359787585 INQCKDJMHZINQE-KRWDZBQOSA-N 444.555 2.168 10 10 IECE C[C@H](NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OCc1ccccc1)c1ccccc1O 1454817996 NEWNTWUHKWOXCD-MAUKXSAKSA-N 434.514 2.299 10 10 IECE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@@H]3CC[C@H](C)[C@@H](C)C3)CC2)cc1 1461395399 BXYBRHFDBJMEDK-GBESFXJTSA-N 437.606 2.336 10 10 IECE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)NC(C)(C)C3CCC3)CC2)cc1 1470728701 CNOZVMKCRARPHS-UHFFFAOYSA-N 438.594 2.025 10 10 IECE CCO/C=C\[C@](O)(CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C(F)(F)F 1471546669 FARDIMRKVAOVAN-MFHWYPAGSA-N 432.487 2.498 10 10 IECE Cc1cc(N(C)C)ccc1Cn1c([C@@H]2CCCCO2)nnc1N1CCS(=O)(=O)CC1 1510674759 QTZZHTKSADTSEU-IBGZPJMESA-N 433.578 2.177 10 10 IECE C[C@@H](NC(=O)c1cc(I)nn1C)c1ccc(N2CCOCC2)cc1 1519155464 FOERRLSMFNHJII-GFCCVEGCSA-N 440.285 2.352 10 10 IECE CCOC(=O)C1(CC(=O)NCc2ccc(N3CCN(CC)CC3)c(F)c2)CCOCC1 1530376649 KKRLODUOMALAFN-UHFFFAOYSA-N 435.540 2.334 10 10 IECE NC(=O)C1CCN(c2ccc(CNC(=O)/C=C\c3ccc4c(c3)NC(=O)CO4)cc2)CC1 1535156664 LUZHTWTTXHGLCB-YWEYNIOJSA-N 434.496 2.049 10 10 IECE NC(=O)C1CCN(c2ccc(CNC(=O)c3ccc(=O)n(-c4ccc(F)cc4)n3)cc2)CC1 1538131605 DTGDKZXPSYOWBW-UHFFFAOYSA-N 449.486 2.003 10 10 IECE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@H](OC)C2)n1Cc1ccc(N(C)C)c(F)c1 1555755570 GEKWWEFSLGLNEG-QKLQHJQFSA-N 433.528 2.481 10 10 IECE COC[C@@]1(CO)CCN(C(=O)CCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)C1 1635747999 LPUPVSBFKBUQCX-PDANQNNMSA-N 438.546 2.274 10 10 IECE C[C@H](NC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1)C(=O)NCc1ccccc1 1635992390 HYSTWLZAKBJHSV-HNNXBMFYSA-N 432.471 2.306 10 10 IECE COc1ccc(N2CC[C@@H](CNC(=O)[C@H]3CN(C(=O)OC(C)(C)C)CCN3C)C2)cc1 1639682439 CICGPRIRXYACBP-FXAWDEMLSA-N 432.565 2.189 10 10 IECE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)c3c[nH]c4ncc(Cl)cc34)cc2)CC1 1662777512 OLRIOUZTSYOOIO-UHFFFAOYSA-N 447.948 2.363 10 10 IECE O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)NC[C@H]1CCC2(CCOCC2)O1 1673472552 QIHSUSJDEONFSH-MRXNPFEDSA-N 425.476 2.329 10 10 IECE COc1ccc(N(C)CCN(C)C(=O)NCc2ccc(CN3C(=O)CNC3=O)cc2)cc1 1683549673 GHMBRXSHPUVIPP-UHFFFAOYSA-N 439.516 2.025 10 10 IECE CN(C[C@@H]1OCCc2ccccc21)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1683731308 OHTFAOMKQFYGEX-QFIPXVFZSA-N 443.569 2.377 10 10 IECE O=C(NCc1ccc(N2CCC(O)CC2)cc1)N1CCN(c2nc(F)c(F)cc2F)CC1 1684142345 XLQDUZWEUJNNPK-UHFFFAOYSA-N 449.477 2.492 10 10 IECE Cc1ccccc1[C@H]1C(=O)NCCN1C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1684169560 NHPMYXPGMPYNNZ-QFIPXVFZSA-N 449.555 2.079 10 10 IECE CCO[C@]1(c2nnc(N3CCO[C@H](C)C3)n2Cc2ccc(N(C)C)c(F)c2)CCOC1 1746738021 XSFXIGIEZJKGGB-OPAMFIHVSA-N 433.528 2.409 10 10 IECE O=C(CCCN1C(=O)C(=Cc2cccs2)SC1=S)N[C@@H]1CCS(=O)(=O)C1 2296885403 SSMKPQLSFORPGG-LLVKDONJSA-N 430.598 2.033 10 10 IECE O=C(O)CNC(=O)CCN1C(=O)C(=Cc2cccc(Br)c2)SC1=S 2314827469 FREIHPZQSYBOFN-UHFFFAOYSA-N 429.317 2.241 10 10 IECE CCCCOCC(CO)(COCCCC)N/C=C1\C(=O)NC(=O)N(c2ccccc2)C1=O 59377176 PWJSWIZLEBORGC-XMHGGMMESA-N 447.532 2.107 10 10 IECE Cc1cc(C(=O)Nc2ccc(S(=O)(=O)CCO)cc2)ccc1NC(=O)C1=S=CC=C1 478216106 ZKHYYMFQWGKISN-UHFFFAOYSA-N 444.534 2.229 10 10 IECE COc1ccc(N2CCN(CCNC(=O)N3CCC[C@H](N4CCCC4)CC3)CC2)cc1 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2.448 10 10 IECE COc1ccc(N2CCN(CCNC(=O)N[C@@H]3COc4ccc(F)cc4C3)CC2)cc1 808249732 LEQZHTHICAJXMP-IBGZPJMESA-N 428.508 2.259 10 10 IECE NC(=O)[C@@H]1CCCN(c2ccc(CNS(=O)(=O)CC3Cc4ccccc4C3)cc2)C1 809810533 BUKGKKMUGVVILZ-OAQYLSRUSA-N 427.570 2.223 10 10 IECE CCOC(=O)c1cnn2c(O)cc(CN3CCC[C@@H]3C(=O)Nc3ccc(OC)cc3)nc12 917106346 VFOZSFAHADNGKI-GOSISDBHSA-N 439.472 2.223 10 10 IECE Cc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C1=O 1084360279 CQMDUAZHCZUYEI-VBKFSLOCSA-N 436.424 2.406 10 10 IECE COc1ccc(N2CCN(C[C@@H](O)CN3CCOC[C@@H]3c3cccc(F)c3)CC2)cc1 1196143003 ZIIPONMKVFNMKJ-ISKFKSNPSA-N 429.536 2.391 10 10 IECE Cn1cc([C@@]2(CNC(=O)NCc3cc(F)c(N4CCOCC4)c(F)c3)CCCO2)cn1 1251750669 ISDHOLBMLJBRGB-NRFANRHFSA-N 435.475 2.040 10 10 IECE O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cc(Br)cn2ncnc12 1464307989 LOPUIQOHEJLJCJ-UHFFFAOYSA-N 434.269 2.398 10 10 IECE CCN(Cc1cc(Br)ccc1O)C(=O)c1c2c(nn1C)CCS(=O)(=O)C2 1465851436 SZLDSKXPTGZMBU-UHFFFAOYSA-N 442.335 2.021 10 10 IECE COc1ccc2c(c1)c1c(n2CC(=O)N2CCC(CNS(C)(=O)=O)CC2)CCCC1 1467938281 AKAGOGGFBMJULL-UHFFFAOYSA-N 433.574 2.317 10 10 IECE CN(Cc1ccccc1O)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOCC1CC1 1503488886 ZKYZXHGRRGLCHW-GOSISDBHSA-N 434.562 2.339 10 10 IECE CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@]1(O)CCS(=O)(=O)C1 1515325926 XVALOPYNEOPSOC-QFIPXVFZSA-N 443.573 2.358 10 10 IECE CN(C)c1ccc([C@H](CNC(=O)CSc2n[nH]c(O)n2)NC(=O)OC(C)(C)C)cc1 1544268715 MXVCRNVQDUZMNK-AWEZNQCLSA-N 436.538 2.051 10 10 IECE Cc1cccc(-n2c(C)cc(C(=O)N[C@@H]3CCS(=O)(=O)C4(CC(C(N)=O)C4)C3)c2C)c1 1558672208 WJSKGYSNAXTWPK-FRIYVGAWSA-N 443.569 2.344 10 10 IECE CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CCN2C)N(C)C)cc1 1558723402 NUPXAJPUHWTBFV-UXHICEINSA-N 433.597 2.023 10 10 IECE COC(=O)c1cccc2c1CCCN2C[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1 1616111434 NAHDPSBKFHVLSH-HXUWFJFHSA-N 439.556 2.418 10 10 IECE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1nscc1Br 1617143968 YCBKHSFDBQYAPL-UHFFFAOYSA-N 430.349 2.070 10 10 IECE O=C(CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)NC/C=C\CO 1628955362 PNOLVFFLMHHTBO-KPMHURPXSA-N 427.345 2.315 10 10 IECE COc1ccc(N(C)CCN(C)C(=O)[C@H](O)[C@](O)(c2ccccc2)C(F)(F)F)cc1 1640771864 SRJBVNQAKCPSKR-AZUAARDMSA-N 426.435 2.401 10 10 IECE COc1cccc(/C=C(\C(=O)NCc2ccc(N3CCC(O)CC3)cc2)n2nnnc2C)c1 1642155515 VJNPGTQFHOLDCN-HZHRSRAPSA-N 448.527 2.266 10 10 IECE C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)NCc1ccc(N3CCC(O)CC3)cc1)C2=O 1646435068 LKCFOASNXNMMMV-IAGOWNOFSA-N 442.560 2.011 10 10 IECE COC(=O)CC[C@H]1CCCN(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)C1 1685330912 HQDBEFBUAPPMRW-GOSISDBHSA-N 430.549 2.263 10 10 IECE CN(Cc1ccc(N2CCOCC2)cc1)c1nnc(C(C)(C)C)n1C[C@@H]1COCCO1 1711080169 IBLUVRPWAKEZCN-HXUWFJFHSA-N 429.565 2.464 10 10 IECE COc1ccc(N2CCCN(c3nnc([C@@H]4CCCCO4)n3CC(=O)N(C)C)CC2)cc1 1730179962 GYBVPKYSPASJQK-FQEVSTJZSA-N 442.564 2.333 10 10 IECE COCCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(N(C)C)c(F)c2)C1 1730903569 NTGAMNUADGNKQD-QZTJIDSGSA-N 433.528 2.277 10 10 IECE CC(C)Cc1nnc(N2CC(=O)N(C)C[C@@H]2C)n1Cc1ccc(N2CCOCC2)c(F)c1 1750716581 JHKSUQQDKHLQHJ-KRWDZBQOSA-N 444.555 2.168 10 10 IECE Cc1ccccc1N1C(=O)NC(=O)C(=CNc2c(C)n(C)n(-c3ccccc3)c2=O)C1=O 2295924434 ZJJMUANSPKIFSU-UHFFFAOYSA-N 431.452 2.372 10 10 IECE CC[C@@H](C(=O)OC)N1C(=O)C(=C2SC(=S)N(CCC(=O)O)C2=O)c2ccccc21 2326944793 AXXXGZIWYIZWBM-NSHDSACASA-N 434.495 2.031 10 10 IECE CCOC(=O)Oc1ccc(C(=O)N2CCC(NC(=O)c3cc(O)c(O)c(O)c3)CC2)cc1 169859597 VIYXJHBPIJFGOG-UHFFFAOYSA-N 444.440 2.373 10 10 IECE O=C(O)COc1cccc(/C=C2/SC(=S)N(NC(=O)c3cccc(O)c3)C2=O)c1 210520612 HLWUXWZLNJZITJ-OVCLIPMQSA-N 430.463 2.402 10 10 IECE Cc1cc(N(C)C)ccc1CNC(=O)C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 734471286 LEGUIVHGYFMXJH-UHFFFAOYSA-N 433.578 2.118 10 10 IECE CCOC(=O)c1cn(C)nc1NC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 752803013 BNTWAIAWPAAFQI-UHFFFAOYSA-N 440.548 2.451 10 10 IECE COc1ccc(N2CCN(CCCNC(=O)C(=O)N(C)C[C@H]3CC=CCC3)CC2)cc1 785528605 JHGPSLDXAVWZCF-FQEVSTJZSA-N 428.577 2.138 10 10 IECE COc1ccc(N2CCN(CCNc3cc(S(=O)(=O)N4CCCC4)ccn3)CC2)cc1 804387503 CHHLWVBMZKRKDX-UHFFFAOYSA-N 445.589 2.109 10 10 IECE Cc1ccccc1-n1c(C)cc(C(=O)CN2CCCN(S(=O)(=O)N(C)C)CC2)c1C 810090911 AOHKKBHCJSSHOE-UHFFFAOYSA-N 432.590 2.399 10 10 IECE CCN(CCOCCO)C(=O)CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S 1155303883 YRZHVPZVCHRMSS-DTQAZKPQSA-N 426.535 2.274 10 10 IECE COc1ccc(N2CCN(CCNC(=O)CCS(=O)(=O)c3ccc(C)cc3)CC2)cc1 1442474176 PEXXYQIODVUZIN-UHFFFAOYSA-N 445.585 2.106 10 10 IECE COc1ccc(N2CC[C@H](CNC(=O)NC[C@@H]3COCCN3C(=O)OC(C)(C)C)C2)cc1 1470592311 BZSMMBGSQRECFE-IEBWSBKVSA-N 448.564 2.457 10 10 IECE CC(C)(CS(C)(=O)=O)NC(=O)CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S 1538225224 BLTKJHVHIWPXMA-GXDHUFHOSA-N 444.575 2.356 10 10 IECE Cc1cc(N(C)C)ccc1Cn1c(-c2cccnc2)nnc1N(C)CC(=O)N1CCOCC1 1542226863 LDTIKJURKOZEGF-UHFFFAOYSA-N 449.559 2.058 10 10 IECE COc1ccc(N2CCN(C(=O)c3ccccc3CN3CCOCC3)CC2)c(OC)c1 1543631975 IAPSYCDJPWIABE-UHFFFAOYSA-N 425.529 2.498 10 10 IECE CN(C)c1ccc([C@H](CNC(=O)N2CCOC[C@H]2C[C@@H](O)c2ccco2)N(C)C)cc1 1565452965 OVMBDMUDOMDCAP-QHAWAJNXSA-N 430.549 2.482 10 10 IECE CCOc1ccc(N2CCN(C(=O)C[C@@H]3CS(=O)(=O)c4ccccc4O3)CC2)cc1 1566562772 NQYPDBUJZMMCMY-LJQANCHMSA-N 430.526 2.359 10 10 IECE NC(=O)C1CCN(c2ccc(CNC(=O)CNC(=O)Nc3cccc(Cl)c3)cc2)CC1 1596355046 IVVFCNGWLNYUSR-UHFFFAOYSA-N 443.935 2.480 10 10 IECE COC(=O)c1cccc2c1CCCN2C[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1 1616111432 NAHDPSBKFHVLSH-FQEVSTJZSA-N 439.556 2.418 10 10 IECE CCS(=O)(=O)c1ccc(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)c(N)c1 1629488543 PGLRSECTWZQJAX-UHFFFAOYSA-N 439.484 2.107 10 10 IECE CCNS(=O)(=O)c1cccc(C(=O)N(CC(=O)OC)Cc2cc(Cl)ccc2O)c1 1631531096 HBPOAYXRLIZWRI-UHFFFAOYSA-N 440.905 2.159 10 10 IECE O=C(CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)N1CCN(C(=O)C2CC2)C1 1643058253 CQERRUBEEDFVRH-LFIBNONCSA-N 433.530 2.455 10 10 IECE C[C@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC[C@H]1CNC(=O)OC(C)(C)C 1653062051 FJXYAZZUNQIJTL-KBPBESRZSA-N 441.550 2.387 10 10 IECE CC(C)(C)c1nnc2n1CCN(C(=O)NCc1cc(F)c(N3CCOCC3)c(F)c1)C2 1683196083 ZDEHSRSKSVUXGS-UHFFFAOYSA-N 434.491 2.416 10 10 IECE COc1ccc(N2CC[C@H](CNC(=O)NC[C@H]3CN(Cc4ccncc4)CCO3)C2)cc1 1683339997 LKEAXNVWXHZEPY-OFNKIYASSA-N 439.560 2.117 10 10 IECE Cc1cc(N(C)C)ccc1Cn1c(Cc2cccnc2)nnc1N1CC(=O)N(C)C[C@H]1C 1693006247 SGMLYLQZECPIRF-GOSISDBHSA-N 433.560 2.354 10 10 IECE CCc1nnc(N2CCC[C@@H](NC(C)=O)C2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1694714352 HITFBSNJAZTJLN-OAQYLSRUSA-N 440.592 2.202 10 10 IECE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)CCNc3ccccc3OC)CC2)cc1 1868796667 UEEAIPFKEHQQPY-GOSISDBHSA-N 440.544 2.359 10 10 IECE Cc1ccc(-n2c(C)cc(C(=O)COC(=O)/C=C/c3cn(C)c(=O)n(C)c3=O)c2C)cc1 10201284 BCKGUUHVERNJSV-DHZHZOJOSA-N 435.480 2.239 10 10 IECE C[C@H]1CN(c2ccc(CNC(=O)N3CCN(Cc4nccn4C)CC3)cc2F)C[C@@H](C)O1 730064590 IYVSREFEQSYLMN-HDICACEKSA-N 444.555 2.200 10 10 IECE CN(C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)[C@H]1CCN(c2ccccc2)C1=O 745690861 FRANCFBPLCEAER-UGKGYDQZSA-N 449.555 2.335 10 10 IECE COc1ccc(N2CCN(C[C@H](O)CN(C)Cc3cc(OC)cc(OC)c3)CC2)cc1 754017556 IHIBXDQNNDXKBP-OAQYLSRUSA-N 429.561 2.327 10 10 IECE COc1cc(OC)c(S(=O)(=O)Nc2cccc(N3CCC(C(N)=O)CC3)c2)c(OC)c1 777669820 KVELSDIKYOTLSH-UHFFFAOYSA-N 449.529 2.215 10 10 IECE O=C1NC(=O)[C@]2(CCCN(Cc3cc(Br)cc(Br)c3O)C2)N1 789771767 XJALMDUYCVVOOE-CQSZACIVSA-N 433.100 2.091 10 10 IECE C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 789811752 HBDRIFZSJJKQRU-INIZCTEOSA-N 429.492 2.074 10 10 IECE COc1ccc(N(C)CCN(C)C(=O)c2ccc(CCNS(C)(=O)=O)s2)cc1 1278289305 YDUDLSBEMSSJFT-UHFFFAOYSA-N 425.576 2.057 10 10 IECE CC(C)NC(=O)c1nnc(N(C)CC(=O)NC(C)(C)C)n1Cc1ccc(N(C)C)c(F)c1 1288033193 PSJCTKRYRYWWRP-UHFFFAOYSA-N 447.559 2.021 10 10 IECE Cc1cc(N(C)C)ccc1Cn1c(Cc2cccnc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1304240714 NBWALCFFDUSRDY-SFHVURJKSA-N 433.560 2.354 10 10 IECE C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(N(C)C)c(F)c2)CC(C)(C)O1 1305168181 CRCNMKWFOKORNK-RHSMWYFYSA-N 430.528 2.486 10 10 IECE CCc1nnc(N(C)CCCS(C)(=O)=O)n1Cc1ccc(N2CCSCC2)cc1 1498722064 ANELIJBSESCZIL-UHFFFAOYSA-N 437.635 2.313 10 10 IECE Cc1cc(N(C)C)ccc1Cn1c([C@H]2CCCOC2)nnc1N1CCN(C)C(=O)[C@H]1C 1510676742 YKUZRFVNANTOBB-MJGOQNOKSA-N 426.565 2.262 10 10 IECE Cc1cc(N(C)C)ccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cnn(C)c1C 1542226622 DLLKHULWESUIQP-FQEVSTJZSA-N 436.564 2.330 10 10 IECE Cc1cc(N(C)C)ccc1Cn1c([C@H]2CCCOC2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1542227090 SIDVRLMTFGRXAJ-MJGOQNOKSA-N 449.621 2.464 10 10 IECE COc1cc(N2CCN(C(=O)c3cnn(-c4ccccc4)c3N)CC2)cc(OC)c1OC 1556129833 RAEDRUSWGPKKGW-UHFFFAOYSA-N 437.500 2.443 10 10 IECE C[C@@H](NCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)c1ccccc1O 1560074906 LEUBFIVDXMOXMC-QGZVFWFLSA-N 443.569 2.065 10 10 IECE COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)C1 1564962033 CPIZYCQCDZKOMC-GUDVDZBRSA-N 432.565 2.094 10 10 IECE Cn1cc(C[C@H]2CCC[C@@H]2NC(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)cn1 1565090918 CFVMWYUSDACTLW-IRLDBZIGSA-N 438.576 2.332 10 10 IECE 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COc1ccc(N2CCN(CCCNC(=O)c3cc(C(F)(F)F)n(C)n3)CC2)cc1 33321038 YYUDUINNOHYVNW-UHFFFAOYSA-N 425.455 2.390 10 10 IECE COc1ccc(N2CCN(C(=O)NCC[C@](O)(c3nccn3C)C(F)(F)F)CC2)cc1 107936806 KVHVTLDQMSGEOJ-IBGZPJMESA-N 441.454 2.101 10 10 IECE O=C(NC1CCN(C(=O)c2ccc(Br)o2)CC1)c1cc(O)c(O)c(O)c1 169859668 XAULBLGLKHKECZ-UHFFFAOYSA-N 425.235 2.194 10 10 IECE Cc1cc(C(=O)N2CCN(c3ccccc3S(N)(=O)=O)CC2)c(C)n1-c1ccccn1 785742981 VWEFBUYAFJOFJG-UHFFFAOYSA-N 439.541 2.099 10 10 IECE C[C@@H](CN1CCOCC1)N(C)C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 789162714 NLCDHVZFAFZYHY-FQEVSTJZSA-N 429.609 2.081 10 10 IECE CCOc1cccc(CCNC(=O)C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1 805688519 BJQYHJYPHDCFJU-UHFFFAOYSA-N 425.529 2.239 10 10 IECE COC(=O)c1c(C)oc(C)c1S(=O)(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 809819342 QPXOKLWQDZDICR-UHFFFAOYSA-N 440.493 2.262 10 10 IECE COc1ccc(N2CCN(CCCNC(=O)NCc3cccnc3N(C)C)CC2)cc1 916196876 QTALPJKMCWUQJL-UHFFFAOYSA-N 426.565 2.168 10 10 IECE CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)CC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C 916645248 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IECE CN(Cc1ccccc1O)c1nnc(-c2ccc(Cl)nc2)n1CC(=O)N1CCOCC1 1554175212 QYEAGUYZAYMWTM-UHFFFAOYSA-N 442.907 2.194 10 10 IECE Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CCC(n2cnc(C(N)=O)c2N)CC1 1556336323 ZOENGESTEXUAHM-UHFFFAOYSA-N 434.500 2.262 10 10 IECE COc1ccc(N2CC[C@H](NC(=O)N3CCCC[C@@H]3COC(=O)N[C@@H]3CCOC3)C2)cc1 1565056801 ZOORNGDTILRCGI-NLWGTHIKSA-N 446.548 2.353 10 10 IECE COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1cc(=O)n(C)cc1Br 1566849390 KVACUSVGTJVBDK-UHFFFAOYSA-N 443.681 2.322 10 10 IECE O=C(CCNC(=O)N1CCc2ccccc2C1)NCc1ccc(N2CCC(O)CC2)cc1 1585535710 AXHIPENWVABBOR-UHFFFAOYSA-N 436.556 2.422 10 10 IECE COCCN(CC(=O)N1CCN(c2ccc(OC)cc2OC)CC1)C(=O)OC(C)(C)C 1587487213 VVODJYGQDPYFEH-UHFFFAOYSA-N 437.537 2.236 10 10 IECE COC[C@@H]1CN(c2nnc([C@H]3CCOC3)n2Cc2ccc(N(C)C)cc2C)C[C@@H](C)O1 1619748146 OGGXMJPOLPDEDY-LMNJBCLMSA-N 429.565 2.445 10 10 IECE CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 1642155071 CNMQNYCXTKEUDC-QHCPKHFHSA-N 433.549 2.026 10 10 IECE CN(C)c1ccc([C@@H](CNC(=O)CC[S@](=O)c2ccc3c(c2)OCCO3)N(C)C)cc1 1648477868 HLMWAODLLOLJLU-QJWGWKRISA-N 445.585 2.441 10 10 IECE C[C@@H]1CN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C[C@@H](CC(F)(F)F)O1 1655138238 JGAFYWXSNVWAME-GDBMZVCRSA-N 433.446 2.320 10 10 IECE O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@@H]1CCCN(CC(F)(F)F)C1=O 1685787073 LLXAFRJEEOCQGJ-QGZVFWFLSA-N 428.455 2.000 10 10 IECE CN(C)CC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1O 1768508373 RJFBQYITEKKTRC-QGZVFWFLSA-N 435.594 2.110 10 10 IECE Cc1cccn2c(=O)c(C=C3SC(=S)N(C[C@H]4CCCO4)C3=O)c(N(C)C)nc12 2297452709 UWZGOFWCWMDJAK-CYBMUJFWSA-N 430.555 2.449 10 10 IECE Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C/c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3O)C2=O)c1 59426658 LDBVMXWSPOBHCJ-AUWJEWJLSA-N 426.341 2.492 10 10 IECE C[C@]12CC[C@@H]3c4c(-n5cnc6[nH]c(N)nc(=O)c65)cc(O)c(O)c4CC[C@@H]3[C@@H]1CC[C@@H]2O 137879884 FRKBGPSXUBCIFE-HPIOHDBPSA-N 437.500 2.319 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C/C(=O)Nc3cccc4c3OCC[C@@H]4O)CC2)cc1 768472080 ZTAAHTRDTUSWGQ-GLCJEOIMSA-N 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Cc1cc(COCC(=O)OCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)on1 801461599 YGMSNSRCWSTMHE-UHFFFAOYSA-N 434.404 2.457 10 10 IECE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N1CCN(c2cccc(F)c2)CC1 1252844830 RKWSOOAYMGTSSY-UHFFFAOYSA-N 446.548 2.092 10 10 IECE NC(=O)C1CCN(c2ccc(CNC(=O)N3CC[C@@H](n4cc(Cl)cn4)C3)cc2)CC1 1255508927 JJMWNACNHCNNBE-LJQANCHMSA-N 430.940 2.395 10 10 IECE COC(=O)/C=C/c1ccc(C(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)o1 1352410621 RPEQNRDZCWVOCC-PKNBQFBNSA-N 427.501 2.417 10 10 IECE CN(C)c1ccc(CN(C(=O)[C@@H](CC(N)=O)NC(=O)c2ccccc2F)C2CC2)cc1 1441135579 XTKZBDFMRXZWSF-HXUWFJFHSA-N 426.492 2.057 10 10 IECE Cc1cccc([C@H](CC(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)NC(N)=O)c1 1471911698 DLXJQHDDBSBDPT-NRFANRHFSA-N 437.544 2.113 10 10 IECE CCOC(=O)[C@@H]1[C@H](C)C[C@H](C)N(C[C@@H](O)CN2CCN(c3ccc(OC)cc3)CC2)[C@@H]1C 1473882689 YAKFUZRYMIJNFV-FFVWILKPSA-N 447.620 2.476 10 10 IECE CCOCc1nnc(N2CCN(CCOC)[C@@H](C)C2)n1Cc1ccc(N(C)C)cc1C 1503115422 PYKZUENWQRPFTG-IBGZPJMESA-N 430.597 2.394 10 10 IECE 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CC[C@@H](NC(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)C(N)=O 813314866 LQRFFLBWEYHKQM-LAPSENCUSA-N 442.360 2.030 10 10 IECE CN(C)c1ccc(CN(C)S(=O)(=O)c2ccc(N3C[C@@H](C(=O)O)CC3=O)cc2)cc1 914790984 DSRLKDWWZQDAOG-INIZCTEOSA-N 431.514 2.011 10 10 IECE CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)OC 1084539600 GXPIJBMZEMEUAM-YBEGLDIGSA-N 442.399 2.443 10 10 IECE CC(C)(C)OC(=O)N1CCC[C@@H](/C=C\C(=O)N2CCc3ccc(S(N)(=O)=O)cc32)C1 1136756522 ISGVHEDJJOZEHF-AJHXJQRKSA-N 435.546 2.426 10 10 IECE COc1ccc(N2CCN(CCNC(=O)[C@H]3CC(=O)N(c4cccc(F)c4)C3)CC2)cc1 1142566183 ZRLDZBDCXMCHAK-SFHVURJKSA-N 440.519 2.126 10 10 IECE CN(C)S(=O)(=O)N[C@@H](CNC(=O)NCc1c(O)ccc2c1CCCC2)C1CCCC1 1230509805 BJOWRCRUWQRRCV-IBGZPJMESA-N 438.594 2.025 10 10 IECE CN(C)C[C@@H](NC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccc(F)cc1 1252843115 GKANTKILYQWJRJ-OAQYLSRUSA-N 448.564 2.163 10 10 IECE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1c(O)cnc2c(F)cccc12 1300544607 YSGUPSWUNJYNMD-UHFFFAOYSA-N 429.473 2.244 10 10 IECE 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CCC(=O)c1cccc(S(=O)(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)c1 772938037 DSJCZKVKUOTKAJ-UHFFFAOYSA-N 431.558 2.388 10 10 IECE COC(=O)c1cc(C)nc(N2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)c1[N+](=O)[O-] 804613944 RCPIGAXATIACRP-UHFFFAOYSA-N 446.460 2.437 10 10 IECE COc1ccc(N2CCN(CCNC(=O)NCc3ccc(C[S@](C)=O)cc3)CC2)cc1 805013672 DIWCRNNOJTWFME-HKBQPEDESA-N 444.601 2.195 10 10 IECE COC(=O)[C@@H](OC)c1ccccc1OCC(=O)N1CCN(c2ccc(OC)cc2)CC1 810020595 VKVOCCKJQOIGFD-QFIPXVFZSA-N 428.485 2.283 10 10 IECE Cc1cc(C(=O)OCC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)c(C)n1-c1ccccn1 914613687 INCYHLXUYBYJKX-SFHVURJKSA-N 447.557 2.318 10 10 IECE COc1ccc(N2CC[C@H](NC(=O)[C@@H](Cc3cccc(OC)c3)n3nnnc3C)C2)cc1 1130827172 VIAIBNSIIGNZMJ-PGRDOPGGSA-N 436.516 2.178 10 10 IECE O=C(NCc1ccc2cccnc2c1O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 1162607419 QAFGXIMDQCFPMK-GOSISDBHSA-N 441.509 2.328 10 10 IECE C[C@H]1CN(c2ccc(CNC(=O)CN3CCC(c4nnc(O)o4)CC3)cc2F)C[C@H](C)O1 1170245079 RKHLYJVBWUAPLB-GJZGRUSLSA-N 447.511 2.024 10 10 IECE 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CN(C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)[C@@H]1CCN(c2ccccc2)C1=O 745690860 FRANCFBPLCEAER-SIKLNZKXSA-N 449.555 2.335 10 10 IECE C[C@H]1CN(c2ccc(CNC(=O)COC(=O)[C@H]3CCCc4n[nH]cc43)cc2F)C[C@@H](C)O1 758138601 RGUVZGGJTZGVJL-UXLLHSPISA-N 444.507 2.442 10 10 IECE COc1ccc(CCC(=O)N2CCN(c3cc4c(cc3[N+](=O)[O-])OCC(=O)N4)CC2)cc1 761887284 NUQBIOUDNRLFKK-UHFFFAOYSA-N 440.456 2.216 10 10 IECE CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC[C@H]2COC3(CCOCC3)O2)C1 766873722 QZCZINYISXPLOU-SFHVURJKSA-N 427.545 2.446 10 10 IECE Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 776045266 OUSBKGGBECMMLP-XZOQPEGZSA-N 435.572 2.459 10 10 IECE O=C(COC(=O)c1cnc(Cl)c(F)c1)NCc1ccc(N2CCOCC2)c(F)c1 803828874 XACSPICQUGRLOZ-UHFFFAOYSA-N 425.819 2.323 10 10 IECE COc1ccc(N2CCCN(C(=O)c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)cc1 1125251106 LQFXZBYSQHRGBY-UHFFFAOYSA-N 433.486 2.359 10 10 IECE CN(C)[C@H](C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccc(Cl)cc1 1130980891 XDOZBIYESCRAAU-FQEVSTJZSA-N 435.977 2.494 10 10 IECE Cc1[nH]c(-c2ccncc2)nc(=O)c1CC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C 1180178492 AVOPOQQEOSBKPT-OAQYLSRUSA-N 434.544 2.168 10 10 IECE Cc1n[nH]c(C)c1[C@H]1COCCN1C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1251105100 QZTCSVJRDLABIK-HXUWFJFHSA-N 440.548 2.011 10 10 IECE CC[C@@H](C)c1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCOCC2)cc1 1291434094 IQYKYKUTNMYUQA-YLJYHZDGSA-N 447.605 2.300 10 10 IECE CN(Cc1ccc(N2CCOCC2)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC(F)(F)F 1314735834 BOSAGQKIQHROFG-MRXNPFEDSA-N 438.454 2.265 10 10 IECE C[C@H]1CN(c2ccc(CNC(=O)Cn3nnnc3-c3ccsc3)cc2F)C[C@H](C)O1 1354657026 ITKTVINAVQUDJD-KBPBESRZSA-N 430.509 2.471 10 10 IECE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@]1(C)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 1444666527 UFKJDXGYGHVSCH-GBXCKJPGSA-N 447.576 2.272 10 10 IECE O=C(CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)NC[C@@H](O)C1CCOCC1 1445710006 NHGJJQQNJRBWNJ-FEEIMYBTSA-N 438.546 2.321 10 10 IECE Cc1cc(N(C)C)ccc1Cn1c(C)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1542226704 GOPSASBJLCAAGS-IBGZPJMESA-N 439.608 2.142 10 10 IECE CCc1nnc(N(CCCOC)[C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(C)C)cc1C 1546439947 BRGRHADXONQXBK-HXUWFJFHSA-N 449.621 2.293 10 10 IECE CC(=O)N1CCN(c2ccc(CNC(=O)[C@H]3C[C@H]3CNC(=O)OC(C)(C)C)cc2)CC1 1556199462 MONNPUIARJQRNA-ICSRJNTNSA-N 430.549 2.132 10 10 IECE CCOC(=O)[C@@H]1CCCC[C@@H]1NC(=O)/C=C/C(=O)N1CCN(c2ccc(OC)cc2)CC1 1556596717 RYQMODGAQUCULF-NOBHMXGUSA-N 443.544 2.138 10 10 IECE COc1ccc(N2CCN(C[C@H](O)CN3C[C@@H](N4CCCC4)C[C@H]3C(C)C)CC2)cc1 1560217729 NIBSQIFUYCYEEC-LSQMVHIFSA-N 430.637 2.373 10 10 IECE NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)Cc3cncn3Cc3ccccc3)cc2)C1 1626338915 LXQMVMGLOWMGGA-NRFANRHFSA-N 431.540 2.492 10 10 IECE CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N[C@@H](C)c2ccccc2O)o1 1635798977 KPXAQBOFRDBKSU-ZFWWWQNUSA-N 436.486 2.192 10 10 IECE CNC(=O)OC[C@H]1CCCCN1C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 1635996743 LICSEYWZLAIESV-OAHLLOKOSA-N 426.464 2.222 10 10 IECE CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@H](C)[C@@H](O)CN(C)C(=O)OC(C)(C)C 1638529822 XCBFEIMPLLPXRV-QAPCUYQASA-N 438.521 2.148 10 10 IECE COC(=O)[C@@H]1CCN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)[C@@H]2CCCC[C@H]12 1654159241 PLKYQBDCBUXADP-SFHLNBCPSA-N 447.551 2.332 10 10 IECE CC(C)c1nnc(N(C)Cc2ccc(N3CCOCC3)cc2)n1C[C@]1(O)CCO[C@@H]1C 1723139452 JHAKPVVECQDIFA-WZONZLPQSA-N 429.565 2.414 10 10 IECE COc1ccc(N2CCN(c3nnc(C(C)C)n3C[C@]3(O)CCO[C@@H]3C)CC2)cc1F 1770259548 ZLESYDKYKOJTNV-OPAMFIHVSA-N 433.528 2.416 10 10 IECE CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](c1ccc(N(C)C)cc1)c1nccn1C 1866118296 LGSAGGQSCGRMDD-YADHBBJMSA-N 435.528 2.145 10 10 IECE CC[C@@H](C)N1C(=O)C(=CNc2c(C(=O)OC)[nH]c3cccc(OC)c23)C(=O)NC1=S 2296566804 JTQGCTLMIQMECJ-SNVBAGLBSA-N 430.486 2.301 10 10 IECE O=C(O)COc1cccc(C=C2SC(=S)N(NC(=O)c3ccccc3O)C2=O)c1 2314926683 PHBDDVAVWBTWOQ-UHFFFAOYSA-N 430.463 2.402 10 10 IECE COc1ccc(/C=C2\SC(=S)N([C@H](C)C(=O)NCCCC(=O)O)C2=O)cc1OC 15048211 BSUNYOKGXXJCFC-MKVLZVNKSA-N 438.527 2.275 10 10 IECE COc1ccc(N2CCN(CCNS(=O)(=O)c3ccc(NC(C)=O)cc3C)CC2)cc1 56966099 DAEHHYVGSPKYKH-UHFFFAOYSA-N 446.573 2.063 10 10 IECE NC(=O)[C@@H]1CCCN(c2ccc(CNS(=O)(=O)c3cccnc3C(F)(F)F)cc2)C1 804961139 JIGHOQMKOJUHRQ-CQSZACIVSA-N 442.463 2.281 10 10 IECE NC(=O)C1CCN(c2ccc(CNC(=O)c3cccn(CC(F)(F)F)c3=O)cc2)CC1 1133630554 OLBFXDGSHLACKP-UHFFFAOYSA-N 436.434 2.042 10 10 IECE CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCc3nnnn3CC2)NC(=O)OC(C)(C)C)cc1 1147504007 FEYQOQXATOLBQR-SJLPKXTDSA-N 443.552 2.074 10 10 IECE COc1cc([N+](=O)[O-])cn(CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1=O 1166614590 JQEZAAXFZDRYMT-UHFFFAOYSA-N 433.376 2.179 10 10 IECE COc1cc(N2CCN(C(=O)C3CCC(C(=O)N(C)C)CC3)CC2)cc(OC)c1OC 1267905983 RYMIHBFCVGYDSX-UHFFFAOYSA-N 433.549 2.256 10 10 IECE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CNS(=O)(=O)c1ccccc1C(F)(F)F 1447563293 NDTYVEQUYSDUKT-LLVKDONJSA-N 432.420 2.142 10 10 IECE NC(=O)C1CCN(c2ccc(CNC(=O)N[C@@H]3COc4c(F)cc(F)cc4C3)cc2)CC1 1471369569 LYQUOMMVSOVLQX-SFHVURJKSA-N 444.482 2.469 10 10 IECE O=C(CCn1cnc2ccccc2c1=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 1528261727 OWRPVVSHSIAKCX-UHFFFAOYSA-N 428.439 2.218 10 10 IECE COc1ccc(N2CC[C@@H](NC(=O)c3cc(I)nn3C)C2)cc1 1532104478 COJFLLSMDKORIV-LLVKDONJSA-N 426.258 2.042 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CCN[C@@H](c4ccccc4)C3)CC2)cc1 1570350482 IRLCIWRHWDAPOM-HRBBJJPOSA-N 434.540 2.073 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CCC(c4ccn(C)n4)CC3)CC2)cc1 1596571482 XUWRRFSOCAADIF-BQYQJAHWSA-N 437.544 2.040 10 10 IECE COc1ccc(N2CCN(C(=O)C3=NOC4(C3)CN(C(=O)OC(C)(C)C)C4)CC2)cc1F 1622564175 RVBPSMIZPACBHV-UHFFFAOYSA-N 448.495 2.249 10 10 IECE CN(C)c1ccc([C@@H](CNC(=O)C[C@@H]2CCCS2(=O)=O)NC(=O)OC(C)(C)C)cc1 1628491502 PDOKGUGBBSELGR-ZWKOTPCHSA-N 439.578 2.402 10 10 IECE CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 1634386708 FQOIQPAJBDJYMS-QUCCMNQESA-N 425.485 2.250 10 10 IECE CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cc(S(=O)(=O)NC)ccc1Cl 1639585312 UMHUOYGULKQWQA-UHFFFAOYSA-N 440.905 2.159 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NCCc3cn4c(C)cccc4n3)CC2)cc1 1640604760 GBTJWBFUZFBCIQ-ZHACJKMWSA-N 447.539 2.215 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C\C(=O)NCC(C)(C)C3CCOCC3)CC2)cc1 1647985570 HZOPMPFOGCEVFH-HJWRWDBZSA-N 429.561 2.469 10 10 IECE Cc1cccc(-n2c(C)cc(CNC(=O)N3CCN(S(=O)(=O)N(C)C)CC3)c2C)c1 1683304260 UWHUJLOOGCTKSX-UHFFFAOYSA-N 433.578 2.036 10 10 IECE CN1CCN(c2ccc(CNC(=O)N(C)Cc3ccc(S(C)(=O)=O)cc3)cc2)CC1 1684873799 JOVGBGXNUUKEIT-UHFFFAOYSA-N 430.574 2.184 10 10 IECE CN(C)c1ccc([C@H](CNC(=O)N2CCC([C@H](O)c3nccn3C)CC2)N(C)C)cc1 1685608605 DYRRDIBIHVXPOJ-SFTDATJTSA-N 428.581 2.244 10 10 IECE CC(=O)N[C@@H]1CCCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(N(C)C)c(F)c2)C1 1722816768 OKCOKRQLOOPFGT-GOSISDBHSA-N 440.527 2.037 10 10 IECE Cc1cc(-c2nnc(N3CCN(C)C(=O)[C@H]3C)n2CC(=O)N(C)C)c(C)n1-c1ccccc1 1724200047 ZIKNPSIXHOKJMR-GOSISDBHSA-N 449.559 2.108 10 10 IECE CCC(CC)NC(=O)c1nnc(N(C)Cc2ccccc2O)n1C[C@@]1(C)CN(C)C1=O 1762193480 WTMGGKWMIDXRKM-JOCHJYFZSA-N 428.537 2.017 10 10 IECE CC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(c2ccc(OC)cc2)CC1)OC 1764247589 DKFPMBUKWWOLCG-UYAOXDASSA-N 442.564 2.380 10 10 IECE CCN1CCCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(N(C)C)c(F)c2)CC1=O 1765479226 ABGCTEDIJGTBAB-SFHVURJKSA-N 444.555 2.484 10 10 IECE COC[C@H](Cn1c([C@H]2CCCO2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1)OC 1770781339 IFQKYXHMVQHZGS-LEWJYISDSA-N 445.564 2.264 10 10 IECE COCCNc1nc2ccccn2c(=O)c1C=C1SC(=S)N(C[C@@H]2CCCO2)C1=O 2296703465 RBCUEKIECGYVRO-ZDUSSCGKSA-N 446.554 2.133 10 10 IECE Cc1ccc(CN=c2[nH]cnc(I)c2N)c(O)c1Br 2352932579 OTJIZZUIITULEK-UHFFFAOYSA-N 435.063 2.474 10 10 IECE CCOc1cc(/C=C2\SC(=S)N(CCCC(=O)NCCC(=O)O)C2=O)ccc1O 15040314 WGXUCOAFGLBQLE-PTNGSMBKSA-N 438.527 2.363 10 10 IECE COc1cc(N2CN=c3sc(=C/C=C/c4ccccc4)c(=O)n3C2)cc(OC)c1OC 254342850 WYSKOJVTPYGIJT-NZLLKADESA-N 437.521 2.484 10 10 IECE NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N[C@@H]3CCCN(c4ccccc4)C3=O)cc2)C1 734065491 CCHBYYWITJSJIW-DENIHFKCSA-N 449.555 2.383 10 10 IECE C[C@H]1CN(c2ccc(CNC(=O)N(C)C[C@@H]3CCS(=O)(=O)C3)cc2F)C[C@@H](C)O1 740907580 QFWHESQERNYANF-UXLLHSPISA-N 427.542 2.015 10 10 IECE COc1ccc(N2CCN(CCNC(=O)N3CC[C@H](n4cc(Cl)cn4)C3)CC2)cc1 811869221 HWBNSUOAUTUEKE-IBGZPJMESA-N 432.956 2.324 10 10 IECE C[C@@H]1CN(c2ccc(CNC(=O)C3(O)CN(C(=O)OC(C)(C)C)C3)cc2F)C[C@@H](C)O1 1136311654 YHFUKVCIEBPYKQ-HUUCEWRRSA-N 437.512 2.037 10 10 IECE CC(C)(C)OC(=O)N1CCC[C@@H](n2cc(C(=O)NCCc3ccc(O)c(O)c3)nn2)C1 1150488739 VWSOWADDGKSQBP-OAHLLOKOSA-N 431.493 2.234 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C\C(=O)Nc3ccc(-c4nc(C)no4)nc3)CC2)cc1 1158556698 XXESDGZHDYLCPS-KTKRTIGZSA-N 448.483 2.292 10 10 IECE NC(=O)C1CCN(c2ccc(CNC(=O)C3CCN([C@H]4CCSC4)CC3)cc2)CC1 1303720170 ANOINODFEBDELK-NRFANRHFSA-N 430.618 2.222 10 10 IECE C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1O)N(C)C1CC1 1303724100 WVCILKDJLATONF-WBVHZDCISA-N 433.578 2.005 10 10 IECE COCCn1c(N)c(N(Cc2ccccc2)C(=O)/C(C)=C/c2cccnc2)c(O)nc1=O 1350273172 PSTJRYHXUPTINY-DTQAZKPQSA-N 435.484 2.209 10 10 IECE COc1ccc(N2CCN(CC(=O)NCc3cnn(-c4ccccc4)c3)CC2)c(OC)c1 1460651671 OBVWQWIFELMXQT-UHFFFAOYSA-N 435.528 2.328 10 10 IECE COc1ccc(N2CCCN(C(=O)[C@@H](CO)NC(=O)OCc3ccccc3)CC2)cc1 1464350123 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Cc1cc(COCC(=O)OCC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)on1 801461236 JTJPWLVZMNXMPT-IYBDPMFKSA-N 449.479 2.112 10 10 IECE CN(C)c1ccc([C@@H](CNC(=O)CN2C(=O)C(F)(F)Oc3ccccc32)N(C)C)cc1 1134882404 OWZIQUULBXZUSP-GOSISDBHSA-N 432.471 2.490 10 10 IECE CN(C)CCc1ccc(CNC(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)cc1 1234363603 DUJUWFVYLYONGQ-UHFFFAOYSA-N 437.588 2.492 10 10 IECE NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3cc4nccc(C(F)(F)F)n4n3)cc2)C1 1264737917 KGJOBVOCUFAQNM-AWEZNQCLSA-N 446.433 2.380 10 10 IECE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12 1297562681 OYODIHQOXVKGJM-UHFFFAOYSA-N 438.527 2.419 10 10 IECE CCN1CCN(c2ccc(CNC(=O)c3ccc(CN4CCOCC4)o3)cc2F)CC1 1360093883 NYPLGUWGVDOKNH-UHFFFAOYSA-N 430.524 2.323 10 10 IECE COC(=O)[C@@H]1OCC[C@@H]1NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 1461448580 NLTXVMANWROFOA-IBSGOMHESA-N 440.568 2.176 10 10 IECE CCn1cc(NC(=O)CCN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)c(C(N)=O)n1 1516032118 MJJWZZLPVGJPPU-NTEUORMPSA-N 447.517 2.371 10 10 IECE CC(C)O[C@]1(c2nnc(N(C)Cc3ccccc3O)n2Cc2cnn(C)c2)CCOC1 1541717761 CSOKYBCGBDSDAG-JOCHJYFZSA-N 426.521 2.443 10 10 IECE COc1ccc(N2CC[C@@H](NC(=O)[C@H]3CC(=O)N(c4ccc(NC(C)=O)cc4)C3)C2)cc1 1585987417 CBXWURSGHJFVLC-PKOBYXMFSA-N 436.512 2.402 10 10 IECE COc1ccc(N2CCN(CCNC(=O)C[C@H]3C(=O)Nc4c(F)cccc43)CC2)cc1 1625951708 LYNUAUYBZXBVSC-LJQANCHMSA-N 426.492 2.199 10 10 IECE NC(=O)C1CCN(c2ccc(CNC(=O)Cn3nc(C(F)(F)F)c4c3CCC4)cc2)CC1 1626096153 ZOKWFXIGNFOALA-UHFFFAOYSA-N 449.477 2.409 10 10 IECE COc1ccc(N2CCN(CC(=O)Nc3ccc([N+](=O)[O-])cc3OC)CC2)c(OC)c1 1655378595 IVYHILCDRLYLES-UHFFFAOYSA-N 430.461 2.381 10 10 IECE COc1ccc(C[C@](C)(CO)NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)cc1 1684280158 IFLXXJKWUBLEER-XMMPIXPASA-N 427.545 2.449 10 10 IECE CC(=O)N1CCN([C@@H]2CN(c3nnc(C)n3CCCSc3nccs3)C[C@@H]2C)CC1 1722796973 APYHWNONHZNGNL-MAUKXSAKSA-N 449.650 2.214 10 10 IECE Cc1cc(-c2nnc(N3CCNC(=O)C3)n2CCC(=O)NC(C)C)c(C)n1-c1ccccc1 1724197413 JAWJEZWSQFIRKM-UHFFFAOYSA-N 449.559 2.204 10 10 IECE CCC(CC)NC(=O)c1nnc(N(C)Cc2ccccc2O)n1C[C@@]1(C)COCCO1 1727176878 NMIQRYNYQHPSRH-QFIPXVFZSA-N 431.537 2.344 10 10 IECE CCN1CCCN(c2nnc(-c3cnccn3)n2CCCSc2nccs2)CC1=O 1746427474 KBLTWMWAJYYBPS-UHFFFAOYSA-N 444.590 2.433 10 10 IECE COCC(=O)NC1CCN(c2nnc(CC(C)C)n2Cc2ccc(N(C)C)c(F)c2)CC1 1770688740 LRKDSDIEKZULDY-UHFFFAOYSA-N 446.571 2.461 10 10 IECE CCOC(=O)c1c(NC(=O)C(=O)NC[C@@H](C)NC(C)=O)sc(C)c1-c1ccccc1 1860759830 IODKTNDHLUAMDB-GFCCVEGCSA-N 431.514 2.480 10 10 IECE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3ccc(Cl)nn3)C(C)C)CC2)cc1 1869058628 KCMDLSDWBCBZMZ-IBGZPJMESA-N 431.924 2.242 10 10 IECE CCOc1ccc(C=C2SC(=S)N(CC(=O)N3CSC[C@@H]3C(=O)O)C2=O)cc1 2296881566 OXXLOARAEJEBDF-CYBMUJFWSA-N 438.552 2.273 10 10 IECE COc1cc(C=C2SC(=S)N(CC(=O)NCCCCCC(=O)O)C2=O)ccc1O 2314827476 FXTHZNGEMILIQX-UHFFFAOYSA-N 438.527 2.363 10 10 IECE COc1cc(C(=O)NC2=N[C@H](c3cccc(OC)c3OC)CC(=O)N2)cc(OC)c1OC 20530888 BNISQFINCGGJCQ-AWEZNQCLSA-N 443.456 2.077 10 10 IECE Cc1ccc(S(=O)(=O)NCCC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1 736195431 KWMNSKOWGCSTMM-UHFFFAOYSA-N 445.585 2.189 10 10 IECE COc1ccc(N2CCN(CCNC(=O)Cc3nnn(-c4ccc(C)cc4)c3C)CC2)cc1 742917489 YGMFVEVZQNKACC-UHFFFAOYSA-N 448.571 2.374 10 10 IECE COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 751227060 BRTZQUZYXOMKCK-UHFFFAOYSA-N 439.465 2.182 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N[C@@H]3COc4ccc(F)cc4C3)CC2)cc1 752909093 JQVRTZKQDPZLOH-QWUACUGRSA-N 439.487 2.159 10 10 IECE COc1ccc(N2CCN(C(=O)[C@@]3(NC(=O)OCc4ccccc4)CCOC3)CC2)cc1 779717379 AOFYSUOAZNUNDR-XMMPIXPASA-N 439.512 2.429 10 10 IECE CCCN1CCCN(C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)CC1=O 788315987 GHJDGSSOVOFYNM-UHFFFAOYSA-N 427.593 2.373 10 10 IECE CCS[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 803748626 BBPSZNIMAASHNT-LEWJYISDSA-N 448.633 2.114 10 10 IECE CN1CCN(Cc2ccc(C(=O)NCc3cc(F)c(N4CCOCC4)c(F)c3)cc2)CC1 1161175672 YNBNDALEMKATBA-UHFFFAOYSA-N 444.526 2.479 10 10 IECE Cn1cc([C@H]2CCCN(C(=O)c3cc(NS(=O)(=O)c4cccs4)ccc3O)C2)nn1 1180522229 QHGORBPTVICCGJ-ZDUSSCGKSA-N 447.542 2.403 10 10 IECE COc1ccc(N2CC[C@@H](CNC(=O)N3CCN(C(=O)c4ccccc4O)CC3)C2)cc1 1478859493 GZSIVWGNROKLCI-SFHVURJKSA-N 438.528 2.395 10 10 IECE CCc1nnc(N2CCC[C@@H](S(C)(=O)=O)C2)n1Cc1ccc(N2CCSCC2)cc1 1499071262 NEXHFAQEXWPISK-LJQANCHMSA-N 449.646 2.455 10 10 IECE CN(Cc1ccc(N2CCCC2)cc1)c1nnc([C@H]2CCCOC2)n1CCS(C)(=O)=O 1503473658 NUEKLUMBPLIXHA-IBGZPJMESA-N 447.605 2.453 10 10 IECE COc1ccc(N2CC[C@@H](NC(=O)N3CCC(Oc4ccnc(C(N)=O)c4)CC3)C2)cc1 1565056609 WYGSNBBMIWXJPG-MRXNPFEDSA-N 439.516 2.021 10 10 IECE O=C(NCCCN1CCOCC1)C1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1 1634229487 LDQLXHUMUNYOAT-UHFFFAOYSA-N 447.557 2.003 10 10 IECE C[C@H]1CN(c2ccc(CNC(=O)CN3CCC4(CCNC(=O)O4)CC3)cc2F)C[C@H](C)O1 1648490689 YHPGVNJBPRUCBM-IRXDYDNUSA-N 448.539 2.020 10 10 IECE COc1ccc(N2CCCN(C[C@@H](O)C3(S(=O)(=O)NC(C)(C)C)CCC3)CC2)cc1 1653190485 MTQSABZIPSYJSM-HXUWFJFHSA-N 439.622 2.209 10 10 IECE O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)N1C[C@@H](CCO)[C@@H](CO)C1 1653839668 JBTFLWKSPFPCNI-SHLZMMBASA-N 440.612 2.179 10 10 IECE CCC(CC)NC(=O)c1nnc(N(C)Cc2ccccc2O)n1CC1([S@](C)=O)CC1 1694328494 GKKRLAWWIIGDJB-PMERELPUSA-N 433.578 2.450 10 10 IECE CCN(CC)c1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCCOCC2)cc1 1695625406 NBUPPDIAJCSWNQ-IBGZPJMESA-N 447.605 2.301 10 10 IECE CC(C)OCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1723725064 XYDCYGNJGGLOCG-FQEVSTJZSA-N 442.564 2.127 10 10 IECE COc1ccc(N2CCN(c3nnc([C@H]4CCOC4)n3CCCCCO)CC2)cc1F 1730181005 YIFHUFBMAVPJPL-KRWDZBQOSA-N 433.528 2.419 10 10 IECE CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCOCC2)cc1)C(C)C 1745975587 MFAGEDNNZIHXIV-LJQANCHMSA-N 447.605 2.300 10 10 IECE CCN(CCCn1c(-c2cccnc2)nnc1N(C)Cc1ccccc1O)S(C)(=O)=O 1766868274 LHVNJJYSLHYEQR-UHFFFAOYSA-N 444.561 2.354 10 10 IECE Cc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H]1CCCO1)=C(N)O2 1864009325 FIEUJYIJRRYTJS-KXBFYZLASA-N 442.516 2.249 10 10 IECE COc1ccc(N2CCN(Cc3cc(=O)c(OCC(N)=O)cn3CCC(C)C)CC2)cc1 1870667152 RHERXOGKZGGICS-UHFFFAOYSA-N 442.560 2.089 10 10 IECE CC[C@H](Oc1cccc(C=C2SC(=S)N(CCS(=O)(=O)O)C2=O)c1)C(=O)O 2314928467 WHHFUTSVSNWMRK-LBPRGKRZSA-N 431.513 2.018 10 10 IECE CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H]1CCC[C@@H]1CNS(C)(=O)=O 800747548 LKVBQODCJVFPTR-DOMZBBRYSA-N 448.383 2.404 10 10 IECE CN1CC[C@@H](NCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)[C@@H]1c1ccccc1 810006006 FFLPSWRCIXDJDB-QPPBQGQZSA-N 426.536 2.314 10 10 IECE CN(C)c1ccc2c(c1)OCCN2C(=O)c1cccc(S(=O)(=O)N=S(C)(C)=O)c1 1126522861 IVWIZGDCUOEIQB-UHFFFAOYSA-N 437.543 2.208 10 10 IECE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 1129814284 DPPFUKGWUJPSMF-MRXNPFEDSA-N 435.546 2.036 10 10 IECE CN(C)c1ccc(Cn2c(C3CCCC3)nnc2N(C)CCNS(C)(=O)=O)cc1F 1298056806 XCLIVHVMWZRVNK-UHFFFAOYSA-N 438.573 2.175 10 10 IECE C[C@H]1CN(c2ccc(CNC(=O)CN3CCO[C@H](C(F)F)CC3)cc2F)C[C@@H](C)O1 1460599915 RBVXLAJKDZDRIQ-KHYOSLBOSA-N 429.483 2.412 10 10 IECE COC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2CCCSc2nccs2)CC1 1503898844 YEXVDVJYEVURIG-CQSZACIVSA-N 438.579 2.309 10 10 IECE CC(=O)N1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(N(C)C)c(F)c2)[C@H](C)C1 1508263625 BJNIFFYAXKKTSE-FOIQADDNSA-N 430.528 2.440 10 10 IECE COc1cc(N2CCN(C(=O)C3CN(C(=O)C4CCCCC4)C3)CC2)cc(OC)c1OC 1521836341 DNXSUSSBVPMMCT-UHFFFAOYSA-N 445.560 2.400 10 10 IECE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1=NN(c2ccc(F)cc2)C(=O)CC1 1567306213 GEFLMMCBDKUAJB-KRWDZBQOSA-N 443.431 2.010 10 10 IECE O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)N[C@H](CO)[C@H]1CCOC1 1637555347 KKLJNCKXYWMSGE-LJDHDPBFSA-N 426.585 2.243 10 10 IECE Cc1ccnc(-c2n[nH]c([C@@H](C)NC(=O)NCc3ccc(N4CCN(C)CC4)cc3)n2)c1 1675580725 SUGQRNVUSQTJFM-QGZVFWFLSA-N 434.548 2.487 10 10 IECE Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCOCC1)[C@H]2c1ccc(O)c(O)c1 1865031877 QMFWPUDZKUMHOI-SFHVURJKSA-N 448.479 2.052 10 10 IECE CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)NC(=O)c1ccc(O)c(O)c1 1982311092 FWHXSWTVQUXVCZ-UHFFFAOYSA-N 425.482 2.246 10 10 IECE CNS(=O)(=O)[C@H]1CCCN(CC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)C1 733311222 PDXFBGZKHWSDQC-KRWDZBQOSA-N 433.530 2.019 10 10 IECE CCC(CC)[C@H](C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1)N1CCOCC1 742056710 ABFQACCXQCJCEC-HSZRJFAPSA-N 432.609 2.070 10 10 IECE O=C(NCCCNC(=O)c1ccccc1)NCc1ccc(N2CCC(O)CC2)c(F)c1 750326950 VQNMRVFZRXVMBC-UHFFFAOYSA-N 428.508 2.406 10 10 IECE COc1ccc(N2CCN(C[C@H](O)CN3CCO[C@H](c4cccc(OC)c4)C3)CC2)cc1 754097557 IVEWWNRXOQDIJW-DHLKQENFSA-N 441.572 2.260 10 10 IECE CC(C)N1CCc2c(c3ccccc3n2CC(=O)O[C@H](C)C(=O)NC(=O)NC2CC2)C1 769665103 OKTZWJQRPGQVHW-OAHLLOKOSA-N 426.517 2.328 10 10 IECE CS(=O)(=O)N[C@H]1CCN(Cc2cc(Br)cc(Br)c2O)C1 775705784 LOUSXPLENLYNID-JTQLQIEISA-N 428.146 2.041 10 10 IECE CN(CCN1CCCS1(=O)=O)Cc1cc(Br)cc(Br)c1O 775735844 ZNLZRXXVLGAVPF-UHFFFAOYSA-N 442.173 2.385 10 10 IECE C[C@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ncn(C(C)(C)C)n3)cc2F)C[C@@H](C)O1 784639058 QMPIESHVYMZKRW-OKILXGFUSA-N 432.500 2.041 10 10 IECE C[C@@H](NS(=O)(=O)C1CN(C(=O)OC(C)(C)C)C1)c1ccc(N2CCOCC2)cc1 790010999 RCBWZVRIZKZQBU-OAHLLOKOSA-N 425.551 2.123 10 10 IECE COc1ccc(N2CCN(CCNC(=O)N3C[C@H](C)O[C@]4(CCO[C@H](C)C4)C3)CC2)cc1 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2.417 10 10 IECE COc1ccc(N2CCN(CCCNC(=O)C3CN(C(=O)C4CCCCC4)C3)CC2)cc1 1524982078 ISCXRDYHRUZDJZ-UHFFFAOYSA-N 442.604 2.362 10 10 IECE COc1ccc(N2CC[C@H](CNC(=O)CN3C(=O)N[C@](C)(c4ccccc4)C3=O)C2)cc1 1526246363 KEOBLMKUVWZMCW-MZNJEOGPSA-N 436.512 2.105 10 10 IECE NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)CNC(=O)c3ccccc3Cl)cc2)C1 1542180478 NGBFZWKCXVKKNN-MRXNPFEDSA-N 428.920 2.088 10 10 IECE COc1ccc(S(=O)(=O)NCC(=O)N(C)Cc2ccc(N3CCCC3)cc2)cc1OC 1587547668 QBRSDOOMWWATHF-UHFFFAOYSA-N 447.557 2.241 10 10 IECE CCN1C[C@H](C)N(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(N(C)C)c(F)c2)C[C@H]1C 1615767922 KGGDYUSDRAOIPW-JTDSTZFVSA-N 443.571 2.402 10 10 IECE CN(C)CCN1CCC(Cn2c([C@H]3CCOC3)nnc2N(C)Cc2ccccc2O)CC1 1617693093 DDBJPFNYVOZEES-NRFANRHFSA-N 442.608 2.398 10 10 IECE COc1ccc([C@@H](NC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C2CC2)cn1 1674276441 FYAMDYWHAFPSGE-NRFANRHFSA-N 444.557 2.276 10 10 IECE CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(N(C)C)c(F)c2)C1 1769203808 HTRJFEVWYXGZCB-MRXNPFEDSA-N 425.512 2.489 10 10 IECE COC[C@H](Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1)OC 1769249010 YBCGMLARGHZJKL-FQEVSTJZSA-N 440.548 2.408 10 10 IECE CC[C@H](NC(=O)Cc1ccc(OC)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862303132 OASPZOWYSXCTHI-QFIPXVFZSA-N 425.529 2.490 10 10 IECE COc1ccc(N2CCN(c3cc(NCCCO)c([N+](=O)[O-])c4nonc34)CC2)cc1 8662285 NFZJQSLEFKCISB-UHFFFAOYSA-N 428.449 2.261 10 10 IECE COC(=O)c1ccc(CN(C)C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)cc1 742939325 DLYULLHNMVEGQS-UHFFFAOYSA-N 440.544 2.445 10 10 IECE CC(C)(C)OC(=O)NC[C@H]1CCCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1O 769728285 NXSRJUBVWTWUNA-CQSZACIVSA-N 427.523 2.283 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NC3CCN(c4ccccn4)CC3)CC2)cc1 778232928 JQPVCNRSYCWPBE-MDZDMXLPSA-N 449.555 2.080 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C\C(=O)Nc3ccc4c(c3)N(C)CCO4)CC2)cc1 778301103 FPJDMIFXLINEHF-KTKRTIGZSA-N 436.512 2.367 10 10 IECE COc1ccc(N2CCCN(c3nnc([C@H]4COCCO4)n3C[C@@H]3CCCO3)CC2)cc1 812309767 DUCCXWDCTWWBNA-LEWJYISDSA-N 443.548 2.270 10 10 IECE O=C(CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)NC1(C(F)F)OCCO1 1130965695 CUYJCFKZQBTVLF-FMIVXFBMSA-N 432.445 2.499 10 10 IECE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H]1CN(C)C(=O)CN1C(=O)OC(C)(C)C 1162113429 GQUSHXAKSIGNFG-LPHOPBHVSA-N 432.565 2.186 10 10 IECE Cc1cc(F)ccc1-n1cc(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)nn1 1288913179 QAUFZLUPTJEUHW-UHFFFAOYSA-N 436.491 2.347 10 10 IECE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cnccn2)n1CCCSc1nccs1 1314955309 STXRTTRKZKBMHQ-ZDUSSCGKSA-N 432.579 2.192 10 10 IECE Cc1nc(C2CN(C(=O)CCN3C(=O)/C(=C/c4ccc(F)cc4)SC3=S)C2)n[nH]1 1455624918 FRVYSVTVZCSYLT-NVNXTCNLSA-N 431.518 2.470 10 10 IECE C[C@H](NC(=O)[C@]1(C)C[C@H](O)CN1C(=O)OC(C)(C)C)c1ccc(N2CCOCC2)cc1 1464526893 FLJOSRPYHPUAOB-NVVBAYIOSA-N 433.549 2.461 10 10 IECE Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)cc1 1628477281 ZXTRYRUNKPUGBW-UHFFFAOYSA-N 449.511 2.143 10 10 IECE CN1CC2(CN(C(=O)CCCN3C(=O)/C(=C/c4cccs4)SC3=S)C2)OC1=O 1638281599 PMRVSHRJNZMHEH-JYRVWZFOSA-N 437.568 2.393 10 10 IECE CCCn1c(CCC(=O)NCc2cc(C)ccc2O)nc2cc(S(N)(=O)=O)ccc21 1638940937 SLNNSSAMDMZLNH-UHFFFAOYSA-N 430.530 2.357 10 10 IECE COc1ccc(N2CCN(C[C@H](O)CN3[C@H](C)CC[C@@H]3C(=O)OC(C)(C)C)CC2)cc1 1654982227 XHRZZFCDFLEGIP-KAGYGMCKSA-N 433.593 2.373 10 10 IECE COc1ccc(C[C@@](C)(CO)NC(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1 1684877171 CAPWEYMMQULZOV-DEOSSOPVSA-N 426.561 2.240 10 10 IECE CCCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1728212074 VILKTNAJPXKPRE-LJQANCHMSA-N 446.527 2.130 10 10 IECE COC[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1)OC 1770765287 JOMSXCOUZANBAO-KRWDZBQOSA-N 444.511 2.409 10 10 IECE CC[C@@H](C)NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2C)[C@@H]1c1ccc(O)c(O)c1 1864015806 VXYGPHDIVWFEEF-PELKAZGASA-N 426.395 2.459 10 10 IECE CCOc1cc(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)ccc1OCC(=O)OC 2294353302 ZZLQBUJJHOGVLX-UHFFFAOYSA-N 430.457 2.432 10 10 IECE Cc1cccn2c(=O)c(C=C3SC(=S)N(C)C3=O)c(N3C[C@@H](C)O[C@H](C)C3)nc12 2296698690 FGIVIHRGYBTBGM-CHWSQXEVSA-N 430.555 2.448 10 10 IECE CCC(=O)Nc1ccc(S(=O)(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)cc1 56966096 HLZJKEJDGWYUOK-UHFFFAOYSA-N 446.573 2.144 10 10 IECE Cc1nc([C@H]2COCCN2CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)no1 779631340 HXSAGFOJSGAFRT-LJQANCHMSA-N 432.436 2.165 10 10 IECE C[C@H](CNC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O)N1CCCCC1=O 788163653 GIDCSUMERDPPEQ-CYBMUJFWSA-N 437.543 2.385 10 10 IECE CS(=O)(=O)c1cc(C(=O)NCc2cc(Br)ccc2O)cc([N+](=O)[O-])c1 804739357 XBHKPEAFFAQTHO-UHFFFAOYSA-N 429.248 2.396 10 10 IECE Cn1ccnc1CN1CCC[C@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)C1=O 805278041 QMDQBFDRUZOECY-AWEZNQCLSA-N 426.304 2.423 10 10 IECE CCc1cccc(CC(=O)NCCS(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)c1 1278549667 ZNDHRUPUUJQADH-UHFFFAOYSA-N 445.585 2.068 10 10 IECE CC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2CCCSc2nccs2)[C@@H](C)C1 1286878453 WPURYVBNTRIMFQ-AWEZNQCLSA-N 446.606 2.375 10 10 IECE CC[C@H](C)c1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCOCC2)cc1 1291434091 IQYKYKUTNMYUQA-FXAWDEMLSA-N 447.605 2.300 10 10 IECE Cc1cc(N(C)C)ccc1Cn1c(-c2cccn2C)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1361095046 CGNOUHUQHRVGED-IBGZPJMESA-N 442.589 2.330 10 10 IECE C[C@@H]1CN(C)C(=O)CN1c1nnc(C(C)(C)C)n1Cc1ccc(N2CCOCC2)cc1 1494099324 KLXNFHRKUVNMFF-QGZVFWFLSA-N 426.565 2.127 10 10 IECE CCOCc1nnc(N2C[C@@H](N3CCOCC3)[C@H](C)C2)n1Cc1ccc(N(C)C)c(F)c1 1503031049 DYTLIIZNQHIZIF-DYESRHJHSA-N 446.571 2.225 10 10 IECE CN(Cc1ccccc1O)c1nnc([C@H]2CCC(=O)N2)n1CCCN1CCCCCC1=O 1503486670 AAMKYWNTRFJQKX-GOSISDBHSA-N 440.548 2.364 10 10 IECE COc1ccc(N2CCN(c3nnc(C)n3CCN3CCOC(C)(C)C3)CC2)cc1F 1518309478 PJKPOIVGXAGIHZ-UHFFFAOYSA-N 432.544 2.172 10 10 IECE COC(=O)[C@H]1CCN(C(=O)Cn2c3c(c4cc(OC)ccc42)CCCC3)[C@H](C(=O)OC)C1 1519756358 VOKYWDZPWGJNMO-BTYIYWSLSA-N 442.512 2.482 10 10 IECE COc1ccc(N2CC[C@@H](CNC(=O)c3ccc(S(=O)(=O)N(C)OC)cc3)C2)cc1 1526247560 YPDNVURDIVAGNK-INIZCTEOSA-N 433.530 2.133 10 10 IECE CNC(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)nn1 1537880719 FTLNCKTUMFRZQN-GXDHUFHOSA-N 445.501 2.205 10 10 IECE CC(=O)N1CCN(CCn2c(-c3cccc(C)n3)nnc2N(C)Cc2ccccc2O)CC1 1541005010 GGQGUTQSEOZQHY-UHFFFAOYSA-N 449.559 2.155 10 10 IECE CC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1)OC 1545984546 LLICJTHZKFEFDP-AEFFLSMTSA-N 446.527 2.129 10 10 IECE CCOCc1nnc(N2CCCN(CC)C(=O)C2)n1Cc1ccc2c(c1)CCCN2C 1548162867 MBVBQTQBRQWQPI-UHFFFAOYSA-N 426.565 2.304 10 10 IECE CCOc1ccc(S(=O)(=O)NCC(=O)NCc2cccc(Cl)c2O)cc1OCC 1558756816 CPJATZWNDSNHQT-UHFFFAOYSA-N 442.921 2.438 10 10 IECE COc1ccccc1N1C[C@H](C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)CC1=O 1583379021 LHVSTMTYRJCVFY-MRXNPFEDSA-N 445.466 2.479 10 10 IECE O=C1C[C@]2(CCN(C(=O)CCN3C(=O)/C(=C\c4ccc(F)cc4)SC3=S)C2)CN1 1586338850 IPTVYANCEYPWTK-YWMGUWEJSA-N 433.530 2.156 10 10 IECE CC[C@@H](C)c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1Cc1ccc(N2CCOCC2)c(F)c1 1613198348 ULOHIYOQJFAXFG-SJORKVTESA-N 444.555 2.483 10 10 IECE CN(Cc1ccccc1O)c1nnc(C(=O)Nc2ccccn2)n1CCc1ccn(C)n1 1617937312 INFWXWSMKKJTJD-UHFFFAOYSA-N 432.488 2.244 10 10 IECE COc1ccc(N2CCN(C(=O)CC3(O)CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1 1631277061 HVZQCAMWKYSSBQ-UHFFFAOYSA-N 433.549 2.496 10 10 IECE CN1CCN(c2ccc(CNC(=O)N(C)CCCN3C(=O)c4ccccc4C3=O)cc2)CC1 1683702031 UGDLMKYOJZWUPW-UHFFFAOYSA-N 449.555 2.266 10 10 IECE C[C@H](NC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cnn(CC2CCC2)c1 1683733928 CBYHHHNCZRHXKI-KRWDZBQOSA-N 445.589 2.478 10 10 IECE CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 1684142140 RRRNCCGRGRGOMX-GOSISDBHSA-N 440.548 2.418 10 10 IECE COC(=O)c1cc2n(n1)CCC[C@H]2NC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 1687791185 QTQKITUHASDLSY-MRXNPFEDSA-N 431.468 2.184 10 10 IECE CCN(CC)c1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCC(C(N)=O)CC2)cc1 1764939378 SBUPFWDSOHEPQC-LJQANCHMSA-N 426.565 2.378 10 10 IECE COc1ccc(N2CCN(C(=O)Cn3ccc4c(NS(C)(=O)=O)cccc43)CC2)cc1 1860227778 HZJZUSQRAFAKML-UHFFFAOYSA-N 442.541 2.370 10 10 IECE CC[C@](C)(NC(=O)CCNC(C)=O)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866801422 NJIRFHWGRBIYMN-DEOSSOPVSA-N 435.480 2.212 10 10 IECE COC(=O)[C@@H](CS(=O)(=O)Nc1ccc(O)c(Cl)c1)NC(=O)OCc1ccccc1 2270526171 JQIJGDVZOKZBIJ-OAHLLOKOSA-N 442.877 2.255 10 10 IECE CN(C)c1ccc([C@@H](CNS(=O)(=O)c2cc(F)ccc2F)N2CCOCC2)cc1 20604070 BXHLKDMKGUJNKN-LJQANCHMSA-N 425.501 2.383 10 10 IECE Cc1cc(C(=O)COC(=O)[C@@H](O)C2CCOCC2)c(C)n1-c1ccc2c(c1)OCCO2 735948476 QWSVDWFEECZWFE-QFIPXVFZSA-N 429.469 2.379 10 10 IECE CN(C[C@@H]1CCS(=O)(=O)C1)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 745903911 JYTGLKWELBAHMV-LSDHHAIUSA-N 431.505 2.333 10 10 IECE COCC[C@]1(NC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)CCOC1 773337693 GNFGBQNNSNKHPO-SFHVURJKSA-N 426.516 2.180 10 10 IECE O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)NC[C@@H]1CCC2(CCOCC2)[C@H]1O 802005268 ASWVMNMIQLJZLK-UWJYYQICSA-N 435.540 2.154 10 10 IECE CCN1C(=O)c2ccc(C(=O)NCc3cc(Br)ccc3O)cc2S1(=O)=O 804736741 ZLWRMBSQSUMBDJ-UHFFFAOYSA-N 439.287 2.249 10 10 IECE COc1ccccc1NS(=O)(=O)c1cc(C(=O)OCC(=O)C(C)=O)ccc1Cl 808543277 DOWJTRXPAUNJIQ-UHFFFAOYSA-N 425.846 2.464 10 10 IECE COc1ccc2c(c1OC)[C@@H](O)[N@+]1(C)CCc3cc4c(c(O)c3[C@@H]1[C@H]2OC(C)=O)OCO4 936069450 ZMVJJIWEZXWPAJ-BHLLPTRUSA-O 444.460 2.491 10 10 IECE in-vitro Cc1cc(CC(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)c(C)n1-c1ccccc1 1126179560 MSAWJTNYHKVAJA-OAQYLSRUSA-N 433.574 2.241 10 10 IECE CCOc1ccc(N2CCN(C(=O)c3c[nH]nc3I)CC2)cc1 1137658490 JUONAVOSZAGLBG-UHFFFAOYSA-N 426.258 2.375 10 10 IECE Cc1[nH]nc(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)c1I 1167762249 KQKVLBKQCHKBRA-UHFFFAOYSA-N 440.285 2.214 10 10 IECE C[C@@H]1CO[C@@H](C(F)(F)F)CN1C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1313305129 OKXSRHOLNQSCOU-CXAGYDPISA-N 428.455 2.250 10 10 IECE C[C@@H](NC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccc2nc(O)oc2c1 1478945315 POMCOURDYARKEJ-CQSZACIVSA-N 444.513 2.329 10 10 IECE CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(N(C)C)cc2C)C[C@@H]1C 1502317135 AIBAMKZTZLNOHT-SFHVURJKSA-N 427.597 2.369 10 10 IECE CC(=O)Nc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N(C)Cc2ccccc2O)cn1 1508278894 CXRBRUUENXDTDP-UHFFFAOYSA-N 449.515 2.258 10 10 IECE 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O=C(CN1CCn2cnc(C(F)(F)F)c2C1)NCc1ccc(N2CCOCC2)c(F)c1 1644344153 CBOWMZVSPSMWCB-UHFFFAOYSA-N 441.429 2.010 10 10 IECE CN(C)c1ccc([C@@H](CNC(=O)NCc2cccc(N3CCOCC3)n2)N(C)C)cc1 1681686610 ILEJXFQTOYWZKV-OAQYLSRUSA-N 426.565 2.086 10 10 IECE CC(C)c1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1Cc1ccc(N(C)C)c(F)c1 1706318874 GVUGUMBVFQVSAS-HNNXBMFYSA-N 438.573 2.125 10 10 IECE Cc1cc(N(C)C)ccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1707304754 DZGATFXHDMGVJO-LJQANCHMSA-N 442.589 2.343 10 10 IECE CCN(CC)c1ccc(Cn2c(-c3cnccn3)nnc2N2CCC(C(N)=O)CC2)cc1 1766611875 VEOCCHLNWYYYJC-UHFFFAOYSA-N 434.548 2.331 10 10 IECE CS(=O)(=O)c1ccc(NC(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)cn1 768401936 LUEUVUYUCGYCPM-UHFFFAOYSA-N 443.573 2.339 10 10 IECE CCNC(=O)C[C@H]1CCCCN1CC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 792928620 WWIJTTNPQAXGJG-WSTZPKSXSA-N 448.583 2.436 10 10 IECE CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CNS(=O)(=O)c2ccc(F)cc2)cc1 1292382330 QOLDWDBMUBNAGV-HXUWFJFHSA-N 449.548 2.378 10 10 IECE CO[C@]1(C)CCCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(N(C)C)c(F)c2)C1 1315246508 HCYOJXUGBCDEQC-HTAPYJJXSA-N 430.528 2.488 10 10 IECE CCOc1ccc(N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3C(=O)OC)CC2)cc1 1323730883 UJKUYTSUCIYMLT-UHFFFAOYSA-N 449.485 2.291 10 10 IECE CCOCc1nnc(N2CCCN(c3ccc(OC)cc3)CC2)n1CC[C@H]1COCCO1 1516567773 SXIBGPGHYSXROS-NRFANRHFSA-N 445.564 2.345 10 10 IECE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C[C@H]1CS(=O)(=O)c2ccccc2O1 1539302191 LMZGYZXXAIPWER-IBGZPJMESA-N 430.526 2.107 10 10 IECE NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(F)c1 1545040738 HNVMCZXLVWBTNC-GFCCVEGCSA-N 443.447 2.473 10 10 IECE Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NC2CCN([C@H]3CCN(C)C3=O)CC2)cc1 1568775118 ZQRCCEWNYLMWNQ-QHCPKHFHSA-N 436.556 2.260 10 10 IECE O=C(N[C@@H](CO)Cc1ccc(O)cc1)c1cc(NS(=O)(=O)c2cccs2)ccc1O 1597340181 GPAWEAZSPJZAEQ-OAHLLOKOSA-N 448.522 2.294 10 10 IECE CC[C@@H](C)c1nnc(N2CCN(c3ccc(OC)c(F)c3)CC2)n1CCCn1cnnn1 1613317075 VJRWHEIQKMISHU-MRXNPFEDSA-N 443.531 2.343 10 10 IECE COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)CN(C)S(=O)(=O)N(C)C)cc1 1616620478 VYYBKJJKGQVPIL-UHFFFAOYSA-N 434.562 2.033 10 10 IECE COc1ccc(N2CCN(c3nnc(C4CC4)n3CC(=O)NCC(F)F)CC2)cc1F 1619302018 GGXJBPPHAQITDD-UHFFFAOYSA-N 438.454 2.011 10 10 IECE Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)c1 1623951995 WXPFZQXYURYMEI-SIKLNZKXSA-N 430.526 2.373 10 10 IECE Cn1cc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c(=O)c2cnn(C)c21 1626479661 LRTXIVJXJYQJNP-UHFFFAOYSA-N 431.443 2.272 10 10 IECE COCCN(C(=O)c1ccc(C)c(-n2c(C)cc(C=O)c2C)c1)[C@@H]1CCS(=O)(=O)C1 1628596649 DWUHZXWULCZGDS-HXUWFJFHSA-N 432.542 2.491 10 10 IECE CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 1643347455 ZZXGQRZWGYSTDZ-YJBOKZPZSA-N 430.509 2.479 10 10 IECE C[C@H]1CN(c2ccc(CNC(=O)CN3CCC[C@@H](n4ccnn4)CC3)cc2F)C[C@@H](C)O1 1643996368 VXCQELYFSCESBM-WSTZPKSXSA-N 444.555 2.374 10 10 IECE COc1ccc(S(=O)(=O)NCC(=O)NCc2c(O)ccc3ccccc23)cc1OC 1645440395 BIPUSNKBSGRSQJ-UHFFFAOYSA-N 430.482 2.157 10 10 IECE C[C@@H](NC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1)c1ccc2c(c1)CC(=O)N2 1684169877 VABJHEQLCHQJRF-OAHLLOKOSA-N 435.528 2.443 10 10 IECE Cc1nnc(N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)n1Cc1ccc(N2CCSCC2)cc1 1707853917 SRFDNHJULQXMPO-HOTGVXAUSA-N 437.635 2.446 10 10 IECE COCCO[C@H](C)c1nnc(N2CC(=O)N(C)C[C@@H]2C)n1Cc1ccc(N(C)C)cc1C 1749933248 ZQQFNGHIMQZVIE-ZWKOTPCHSA-N 444.580 2.092 10 10 IECE CN(C)c1cccc(NC(=O)c2ccc(N3CCN([C@H]4CCS(=O)(=O)C4)CC3)cc2)c1 1868173613 CMZCSCXXRFKSIU-QFIPXVFZSA-N 442.585 2.314 10 10 IECE CC[C@H](Oc1ccccc1C=C1SC(=S)N([C@H](CC(=O)O)C(=O)O)C1=O)C(=O)O 2314927910 NDLXWOYZAROJJC-MNOVXSKESA-N 439.467 2.058 10 10 IECE C[C@@H]1CCCN(c2nn3c(=O)c(C(=O)NCc4ccc(N(C)C)cc4)cnc3s2)C1 21537736 KXWJJBJZMVSCQF-CQSZACIVSA-N 426.546 2.383 10 10 IECE O=C(CNc1ccccc1C(=O)NC1CC1)NCc1ccc(N2CCOCC2)c(F)c1 772902763 XEHVTJREBDUPHM-UHFFFAOYSA-N 426.492 2.283 10 10 IECE CC(C)(C)OC(=O)c1cnc(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cn1 801665310 MEKKECFSADYIGE-MRXNPFEDSA-N 439.516 2.064 10 10 IECE COc1cccc(/C=C(/C(=O)NCc2ccc(N3CCN(C)CC3)cc2)n2nnnc2C)c1 1133123607 STERHCUGSJACGS-KQWNVCNZSA-N 447.543 2.056 10 10 IECE C[C@H](NC(=O)N1CCN(S(=O)(=O)NCc2ccccc2)CC1)c1ccc(N(C)C)cc1 1234557186 ZMSTZRZRNKPDPI-SFHVURJKSA-N 445.589 2.175 10 10 IECE CS(=O)(=O)CCS(=O)(=O)c1ccccc1C(=O)N1CCS[C@H]2CCCC[C@@H]21 1265624847 AEXINFHXPQTZGM-HOTGVXAUSA-N 431.601 2.005 10 10 IECE CC(C)[C@H](Cn1c(-c2cnccn2)nnc1N(C)Cc1ccccc1O)N1CCOCC1 1287164768 YDTPLOMHNJAQTL-FQEVSTJZSA-N 437.548 2.434 10 10 IECE CN1CC[C@@](Cc2ccccc2)(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)C1=O 1303720885 MWRKKOORFMERRT-AREMUKBSSA-N 448.567 2.096 10 10 IECE C[C@@H](C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)n1cnc2c(N)ncnc21 1464275660 STPJGHDDTPXOBP-LBPRGKRZSA-N 449.437 2.141 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C/C(=O)Nc3ccnn3C3CCOCC3)CC2)cc1 1472280442 HQKCXWBWHSUCII-VOTSOKGWSA-N 439.516 2.087 10 10 IECE CNC(=O)CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCN(C)C(=O)[C@H]1C 1503808047 ITNQZUBBSBZLQJ-GOSISDBHSA-N 449.559 2.156 10 10 IECE COc1ccc(N2CCN(c3nnc(CC(C)C)n3C[C@H]3CCC(=O)N3)CC2)cc1F 1518312785 XOVVEOFFXNLPCT-MRXNPFEDSA-N 430.528 2.230 10 10 IECE COCCO[C@H](C)c1nnc(N2CCN(C)C(=O)[C@@H]2C)n1Cc1ccc(N(C)C)cc1C 1519313102 ATSWIIAMRISREL-ZWKOTPCHSA-N 444.580 2.092 10 10 IECE COc1ccc(N(C)CCN(C)C(=O)NCc2ccc(CS(=O)(=O)N(C)C)cc2)cc1 1565333246 ZDSJNRBSQVHGAY-UHFFFAOYSA-N 448.589 2.364 10 10 IECE COc1cc2c(c(OC)c1)N(CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)CCC2 1618567872 HZNDJHOISKUCAM-UHFFFAOYSA-N 433.530 2.345 10 10 IECE COCc1cc(O)ccc1NC(=O)/C=C\C(=O)N1CCN(c2ccc(OC)cc2)CC1 1626258571 OJXPHJMRATWISZ-KTKRTIGZSA-N 425.485 2.391 10 10 IECE NC(=O)C[C@H](NC(=O)c1ccccc1F)C(=O)Nc1c(-c2ccccn2)nc2ccccn12 1629108050 SVDVCRUIDCYAPI-KRWDZBQOSA-N 446.442 2.148 10 10 IECE CS(=O)(=O)Nc1ccc(O)c(C(=O)NCc2ccc(Br)cc2[N+](=O)[O-])c1 1633276262 ZDWQMVZWVWPFNB-UHFFFAOYSA-N 444.263 2.364 10 10 IECE Cn1cc([C@H](CO)NC(=O)CCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)cn1 1637654248 NHAOWMASERPTFM-CRNMQVKPSA-N 434.518 2.000 10 10 IECE Cc1ccc(N2CCN(C(=O)NCc3ccc(N4CCC(C(N)=O)CC4)cc3)CC2=O)cc1 1676126738 VULCWKLDALCPJC-UHFFFAOYSA-N 449.555 2.255 10 10 IECE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)N[C@@H](C)CCC3CC3)CC2)cc1 1681706117 TZSUHNSFQQWPNA-KRWDZBQOSA-N 438.594 2.025 10 10 IECE CCO/C=C\[C@](O)(CNC(=O)NCc1ccc(N2CCC(O)CC2)cc1)C(F)(F)F 1684280069 GRNAEKRSHQZFFJ-ADYPVZHUSA-N 431.455 2.291 10 10 IECE COCCCN(C)c1nnc([C@H]2CCOC2)n1Cc1ccc(N2CCOCC2)c(F)c1 1712378523 UWEMKQPWFAGBGL-SFHVURJKSA-N 433.528 2.279 10 10 IECE CCN1CCCN(c2nnc(CC(C)C)n2Cc2ccc(N3CCOCC3)cc2)CC1=O 1767089917 KTKQKEICHFSCAF-UHFFFAOYSA-N 440.592 2.420 10 10 IECE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1CCCn2c(-c3cnccn3)nnc21 1772502084 YJYJXRBUNPKIDV-IBGZPJMESA-N 433.516 2.108 10 10 IECE Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(CCNC(=O)c3ccco3)cc2)cc1 1859003177 FHRHRMKERACNGF-UHFFFAOYSA-N 429.454 2.312 10 10 IECE CCCC[C@@H](NC(=O)C1CCN(C)CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861967821 ATNJJTAAYAIHHA-JOCHJYFZSA-N 430.593 2.361 10 10 IECE CCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccn1)=C(N)O2 1864018496 MCERKYZAKJADEB-GOSISDBHSA-N 435.484 2.283 10 10 IECE CCN(CC)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2C)[C@H]1c1ccc(O)c(O)c1 1865034440 WKTPZLUGYGZINJ-GFCCVEGCSA-N 426.395 2.413 10 10 IECE CC[C@@H](NC(=O)c1cc(-c2ccncc2)[nH]n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868981057 RRWVLWPMSSESAF-HXUWFJFHSA-N 448.527 2.338 10 10 IECE COc1ccc(C=C2C(=O)NC(=S)N(C)C2=O)cc1COc1ccc(NC(C)=O)cc1 2295934183 ANVOPOCREMIXBU-UHFFFAOYSA-N 439.493 2.489 10 10 IECE CCN(C(=O)CN1C(=O)C(=Cc2ccccc2F)SC1=S)[C@H]1CCS(=O)(=O)C1 2296196302 YXNDWSOISUPLKA-ZDUSSCGKSA-N 442.559 2.063 10 10 IECE COc1ccc(-n2c(C)cc(C(=O)N[C@@H]3CS(=O)(=O)C[C@@H]3N3CCCC3)c2C)cc1 110966922 HQVGVXRMWFSWKO-RTWAWAEBSA-N 431.558 2.094 10 10 IECE CCOC(=O)c1cnc(N2CCN(CC(=O)N(C)Cc3ccc(N(C)C)cc3)CC2)s1 743860192 VLKFMRHDEQBTBY-UHFFFAOYSA-N 445.589 2.166 10 10 IECE Cc1cc(C)c(CNC(=O)C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c(O)n1 774127751 PDMGSTYBAZCBHY-HOTGVXAUSA-N 444.507 2.089 10 10 IECE 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C[C@H]1CCOCCN1C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 774694283 WFQBVSAHXQMQOK-KRWDZBQOSA-N 428.512 2.263 10 10 IECE Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C 1134682109 VRHQHBOEMXRYLQ-FCHUYYIVSA-N 439.539 2.390 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N[C@@H](C(C)C)C3(CO)CCC3)CC2)cc1 1141443979 AAZMGJZYARTRHB-ZUTVHTERSA-N 429.561 2.203 10 10 IECE Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CCO[C@H](CN3CCOCC3)C2)cc1 1149725150 JFUJZBYICHWMBU-HSZRJFAPSA-N 425.529 2.009 10 10 IECE CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3CCN(C(=O)c4ccccc4)C3)cc2)CC1 1154276237 PBASILFUVQRYNG-JOCHJYFZSA-N 434.540 2.134 10 10 IECE CN1CCN(c2ccc(CNC(=O)NCc3ccnc(N4CCSCC4)c3)cc2)CC1 1233871961 HADRZGIPRXSINR-UHFFFAOYSA-N 440.617 2.386 10 10 IECE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 1293928262 DGWWGYVCSNNTIH-UXHICEINSA-N 433.549 2.194 10 10 IECE CN(Cc1cnccn1)c1nnc([C@H]2CCC(=O)N2)n1CCCSc1nccs1 1298407973 DUJBFXYYQGSNQH-CQSZACIVSA-N 430.563 2.295 10 10 IECE 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COc1ccc(N2CCN(C(=O)/C=C\C(=O)NCc3ccc(C)c([N+](=O)[O-])c3)CC2)cc1 1557986620 JDFGBIPOYSLIFD-KTKRTIGZSA-N 438.484 2.433 10 10 IECE COc1ccc(N2CC[C@H](CNC(=O)Cc3csc([C@@H]4CCS(=O)(=O)C4)n3)C2)cc1 1585664462 CIARTCDWIKRBGJ-HZPDHXFCSA-N 449.598 2.239 10 10 IECE CCOC(=O)CN(Cc1ccccc1O)C(=O)CCOc1ccc(S(C)(=O)=O)cc1 1630480491 APDSQKVNMXIOIS-UHFFFAOYSA-N 435.498 2.157 10 10 IECE COc1cccc(C2(CNC(=O)NCc3ccc(N4CCS(=O)(=O)CC4)cc3)CC2)c1 1635776502 FFHXAJBEQNIOCY-UHFFFAOYSA-N 443.569 2.461 10 10 IECE O=C(NCc1ccc(O)cc1O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1O 1639441064 HYOJOXQSYFZKKO-UHFFFAOYSA-N 428.466 2.212 10 10 IECE NC(=O)C1CCN(c2ccc(CNC(=O)NCCc3nnc(-c4ccccc4)o3)cc2)CC1 1685800249 ATVJFBZKCAIIOE-UHFFFAOYSA-N 448.527 2.480 10 10 IECE CCCCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N(C)C)c(F)c1 1695189237 GJRNKEADDCUVHJ-AWEZNQCLSA-N 426.562 2.378 10 10 IECE CC(C)c1nnc(N(C)Cc2ccc(N3CCOCC3)cc2)n1C[C@@]1(O)CCO[C@H]1C 1723139451 JHAKPVVECQDIFA-MBSDFSHPSA-N 429.565 2.414 10 10 IECE C[C@H](CC(N)=O)N(C)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(N2CCOCC2)cc1 1741809888 QAQZHFYQWJGHQE-XLIONFOSSA-N 442.564 2.105 10 10 IECE CN(C)c1ccc(Cn2c(-c3ccccn3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)cc1F 1766909568 HIEPGFWTAJWMTF-INIZCTEOSA-N 444.536 2.217 10 10 IECE CN(Cc1ccccc1O)c1nnc([C@H]2CCCOC2)n1CC1(S(C)(=O)=O)CCC1 1768682543 ZXODWJSYYNQUQA-KRWDZBQOSA-N 434.562 2.481 10 10 IECE COc1ccc(N2CCN(c3nnc(C4CCC4)n3CCOCCCO)CC2)cc1F 1768704520 HPSPQWYIVHMLRX-UHFFFAOYSA-N 433.528 2.419 10 10 IECE CCN(CCO)c1ccc(NC=C2C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1 2297062188 VBARTIJEIMMPCG-UHFFFAOYSA-N 428.489 2.388 10 10 IECE Nc1c(C(=O)OCc2cc(=O)n3ccsc3n2)ccc2c1C(=O)c1ccccc1C2=O 10959159 ZGTYZLOIPFEBAN-UHFFFAOYSA-N 431.429 2.471 10 10 IECE N[C@@H](CC(=O)O)c1cc(I)cc(I)c1O 34002498 QRIIHACXDWJOKG-ZETCQYMHSA-N 432.983 2.076 10 10 IECE NCCC[C@H](N)c1cc(I)cc(I)c1O 575438616 MKWDNHCDRFTFIT-VIFPVBQESA-N 432.043 2.340 10 10 IECE CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)C1 683444497 KIRJBKBYFLLRNE-UTKZUKDTSA-N 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CCOCc1nnc(N2CCN(c3ccc(OC)c(F)c3)CC2)n1Cc1nnc(C)s1 1314391232 PKLPROVVUIJSGO-UHFFFAOYSA-N 447.540 2.497 10 10 IECE Cn1cc(N2CC[C@H](NC(=O)NCc3ccc(N4CCN(CC5CC5)CC4)cc3)C2)cn1 1341538989 CGZKKWOUFMZZTK-NRFANRHFSA-N 437.592 2.030 10 10 IECE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc[nH]2)n1Cc1ccc(N(C)C)c(F)c1 1360619636 XZASMGNGJQNIJY-CQSZACIVSA-N 434.541 2.396 10 10 IECE COc1cc(N)c(C(=O)NCc2cccc(Br)c2O)cc1S(C)(=O)=O 1448967264 URMZZKSARXBUFM-UHFFFAOYSA-N 429.292 2.079 10 10 IECE NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@H]3CC(=O)N(c4cccc(F)c4)C3)cc2)C1 1534539937 ISOISLJNVQATJT-MSOLQXFVSA-N 438.503 2.197 10 10 IECE Cc1cc(C(=O)NCCN2CCCS2(=O)=O)c(C)n1-c1ccc(Br)cn1 1542436798 CBUOXJHKSRPUTI-UHFFFAOYSA-N 441.351 2.017 10 10 IECE COC[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CCCSc2nccs2)CCO1 1619748812 XOYRNZKBAFCBQN-CABCVRRESA-N 425.580 2.273 10 10 IECE CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 1643347452 ZZXGQRZWGYSTDZ-CRAIPNDOSA-N 430.509 2.479 10 10 IECE 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COc1ccc(C=C2SC(=S)N(CCC(=O)OCCN3CCOCC3)C2=O)cc1 2297516007 KZQIOXGKRZMMED-UHFFFAOYSA-N 436.555 2.162 10 10 IECE CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC[C@@H]2CC[C@@H](C(=O)N(C)C)O2)C1 436026169 OCAVTFXXTBJQJY-JTSKRJEESA-N 426.561 2.160 10 10 IECE COc1ccc(OC)c(CN2CCN(c3cc4c(cc3[N+](=O)[O-])OCC(=O)N4)CC2)c1 757509731 ZENTXSBHSCQBJI-UHFFFAOYSA-N 428.445 2.265 10 10 IECE O=C(NCc1ccc(N2CCN(CC3CC3)CC2)cc1)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O 768913114 FBTBYFVEEBAOPN-OALUTQOASA-N 438.494 2.292 10 10 IECE CC(C)N1CCc2c(c3ccccc3n2CC(=O)O[C@@H](C)C(=O)NC(=O)NC2CC2)C1 769665102 OKTZWJQRPGQVHW-HNNXBMFYSA-N 426.517 2.328 10 10 IECE C[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C[C@@H](c2ccccc2)O1 789801490 UFYUBQJNENURMY-VGSWGCGISA-N 441.503 2.267 10 10 IECE CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1125090538 UDYVPXBKSRSCJT-UHFFFAOYSA-N 435.480 2.210 10 10 IECE COc1ccc(N2CCC(NC(=O)[C@H]3CN(C(=O)OC(C)(C)C)CCN3C)CC2)cc1 1292594638 WCNVPHPVGBTBJM-HXUWFJFHSA-N 432.565 2.331 10 10 IECE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@H](NC(=O)OC(C)(C)C)C1CC1 1296054901 NKBVLVCHVXBTAH-HOTGVXAUSA-N 436.505 2.382 10 10 IECE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(-n2cc(C)cn2)c(F)cc1N 1296058666 RFEYKZNQPNFHNI-KRWDZBQOSA-N 442.447 2.217 10 10 IECE CN(C)C(=O)CCn1c(-c2cnccn2)nnc1N(C)Cc1ccc(N2CCCC2)cc1 1297983965 HPUZAQYKIVHNBU-UHFFFAOYSA-N 434.548 2.450 10 10 IECE CC(C)c1nnc(N(C)Cc2ccc(N3CCOCC3)cc2)n1C[C@@H]1CC[C@H](CO)O1 1302575668 OGWDOWYMXDABJS-LEWJYISDSA-N 429.565 2.414 10 10 IECE CN1CCN(c2ccc(CNC(=O)N[C@@H]3CCCN(C(=O)Cc4ccccc4)C3)cc2)CC1 1312568842 LMBWWPLSWSUUSY-HSZRJFAPSA-N 449.599 2.471 10 10 IECE C[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCSc2nccs2)C[C@@H]1O 1316482066 OZMYGYHTOYPBRW-CABCVRRESA-N 436.607 2.360 10 10 IECE CC(C)c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1359687948 FLRWDQOYYROAKW-GOSISDBHSA-N 440.592 2.325 10 10 IECE Cc1nnc(N2CCC(CC(=O)N(C)C)CC2)n1Cc1ccc(N2CCOCC2)cc1 1511834603 LFTLOZGQIQWMJH-UHFFFAOYSA-N 426.565 2.166 10 10 IECE C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 1536524351 QLDHLACSZVUHJH-QGZVFWFLSA-N 433.549 2.304 10 10 IECE O=C(c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O)N1CC2(CCOCC2)C1 1556154840 VOPHBUAGNMURPU-UHFFFAOYSA-N 447.469 2.354 10 10 IECE CN(C)C(=O)CCn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1ccccc1O 1617606999 TVRYWSRQCGOFNS-UHFFFAOYSA-N 442.545 2.090 10 10 IECE COC(=O)[C@@]1(NCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCCC(C)(C)C1 1620432136 UBKNYORQUSTLML-HSZRJFAPSA-N 435.540 2.380 10 10 IECE CCOC1CC(O)(CNC(=O)CCN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)C1 1626268039 VOPOGYLPDWLWHI-CXUHLZMHSA-N 438.546 2.463 10 10 IECE NC(=O)C[C@@H](NC(=O)Cc1cccc(F)c1)C(=O)NCc1cc(Cl)cc(Cl)c1O 1629137027 TUVSCIMBKYXZLX-OAHLLOKOSA-N 442.274 2.057 10 10 IECE O=C(NCCNS(=O)(=O)c1ccc(F)cc1F)c1cc2cc(O)c(O)cc2s1 1639257662 HOKKOAHIFBWPJB-UHFFFAOYSA-N 428.438 2.299 10 10 IECE C[C@H]1CN(c2ccc(CNC(=O)CN3CCc4nccc(N)c4C3)cc2F)C[C@@H](C)O1 1644227564 DDUVBBRCNHLNMD-IYBDPMFKSA-N 427.524 2.091 10 10 IECE 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COc1ccc(N2CCN(C(=O)/C=C\C(=O)N[C@H](c3ccccc3F)[C@@H](C)O)CC2)cc1 1300254049 VNHNPICBWOTQLN-QPZJKNBESA-N 441.503 2.277 10 10 IECE C[C@H]1CN(C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)c2ccc(Br)cc2O1 1438015269 CSOXCEXYMIDODM-NSHDSACASA-N 438.303 2.061 10 10 IECE C[S@](=O)C1(CNC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)CCC1 1524513123 BPQJLSMEPGCHIV-PMERELPUSA-N 426.450 2.401 10 10 IECE Cc1nc(Cc2nnc(N(C)Cc3ccccc3O)n2CCCS(C)(=O)=O)cs1 1542898515 VXKGIWPYQKTSQP-UHFFFAOYSA-N 435.575 2.411 10 10 IECE C[C@H](NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C)c1ccc(N2CCOCC2)cc1 1544215599 ZONPJUXEKREBGD-PXNSSMCTSA-N 432.565 2.252 10 10 IECE C[C@H]1CN(c2ccc(CNC(=O)[C@@H](C)n3cnc4c(N)ncnc43)cc2F)C[C@@H](C)O1 1544675846 BPOJCEHPNHEXCG-HZSPNIEDSA-N 427.484 2.039 10 10 IECE O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)N1CC[C@H](c2nn[nH]n2)C1 1558079557 UPJMOZOOEICHLG-GJSJWPQCSA-N 434.572 2.259 10 10 IECE C[C@H](NC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccc2nc(O)[nH]c2c1 1565044390 NKQKDUBVWUKHNU-AWEZNQCLSA-N 443.529 2.064 10 10 IECE CCCN1C[C@H](CNC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)CC1=O 1584195819 TTYFPASLFZYEAV-ZDUSSCGKSA-N 435.436 2.359 10 10 IECE COCCn1cc(N2C[C@H](C(=O)N(Cc3ccco3)Cc3ccccc3O)CC2=O)cn1 1622309824 OPDSASRYUZONRJ-GOSISDBHSA-N 438.484 2.410 10 10 IECE CN(C)c1ccc([C@@H](CNC(=O)Cc2ccc(C(N)=O)nc2)NC(=O)OC(C)(C)C)cc1 1634163249 WKJSTRGMVKWKCJ-LJQANCHMSA-N 441.532 2.171 10 10 IECE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN(CC(=O)OC(C)(C)C)C3=O)CC2)cc1F 1635889439 CPHLLKXVWAUHGE-KRWDZBQOSA-N 449.523 2.063 10 10 IECE CS(=O)(=O)c1ccc2ncnc(NCc3ccc(N4CCC(C(N)=O)CC4)cc3)c2c1 1651424231 UQPAVXPLJPGQJE-UHFFFAOYSA-N 439.541 2.347 10 10 IECE Cc1cc(N(C)C)ccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CC[C@H]1C2 1724237235 YOXMLYSWMYUXBX-GJYPPUQNSA-N 432.594 2.300 10 10 IECE Cc1nnc(N2CCN([C@H](C)C(=O)N3CCCC3)CC2)n1CCCSc1nccs1 1742830196 LAOLSZUKQRLVJX-MRXNPFEDSA-N 449.650 2.358 10 10 IECE CN(Cc1ccccc1O)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOC(F)(F)F 1747749990 GYTCSFYZOJYUFX-CQSZACIVSA-N 448.467 2.449 10 10 IECE CC(=O)NC1CCN(c2nnc(CC(C)C)n2Cc2ccc(N3CCOCC3)cc2)CC1 1749964641 WLEPHAYZUVSEBZ-UHFFFAOYSA-N 440.592 2.466 10 10 IECE CC[S@](=O)CCn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1768330618 QSWBFIPPPCKUPY-KKIUXKEOSA-N 447.605 2.024 10 10 IECE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)CC2)cc1 1861955238 DHEDOWWEVZVPCQ-CEUCYRDJSA-N 438.484 2.470 10 10 IECE CC(C)C[C@]1(C(=O)O)N[C@H](c2ccc(O)c(O)c2)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 248188913 JLBNCQQEFWVOSX-ZSTWQFLISA-N 438.480 2.413 10 10 IECE Cc1cc(C(=O)CN2CCN(c3cnn(C)c3)C(=O)C2)c(C)n1-c1ccc2c(c1)OCO2 750057653 RZMAPEMCUXZRFY-UHFFFAOYSA-N 435.484 2.088 10 10 IECE Cc1c(C(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)cccc1S(N)(=O)=O 753958100 CAZLLJSBBCAKLI-UHFFFAOYSA-N 428.558 2.427 10 10 IECE C[C@H]1CN(c2ccc(CNC(=O)CN3CCCC[C@@H]3[C@@H]3CNC(=O)C3)cc2F)C[C@@H](C)O1 764467924 VJPFBKVCPYBZSJ-ZDWTUXFCSA-N 446.567 2.046 10 10 IECE CN(CC(C)(C)S(C)(=O)=O)C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 765401763 AZAZIIRZWZTSDH-UHFFFAOYSA-N 446.572 2.150 10 10 IECE CC(C)(C)OC(=O)N1CC[C@H](N(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C2CC2)C1 770066729 LKMQRNQEJGZVCW-HNNXBMFYSA-N 439.534 2.378 10 10 IECE COc1ccc(S(=O)(=O)N(C)CCCC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1 773749615 RKIWHQKCINWCDY-HNNXBMFYSA-N 436.530 2.255 10 10 IECE COCCO[C@H]1C[C@H](CO)CN(CC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)C1 773964553 PQEVYNUZUWPPCX-ICSRJNTNSA-N 444.528 2.351 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N[C@H](C)C(=O)Cc3ccccc3)CC2)cc1 778392373 NBXBSFNVBFXESA-SYGIOELKSA-N 435.524 2.217 10 10 IECE CCNC(=O)C[C@@H]1CCCCN1CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 792928613 WWIJTTNPQAXGJG-BJLQDIEVSA-N 448.583 2.436 10 10 IECE CN1CCN(c2ccc(CNC(=O)[C@@H]3CC(=O)N(c4ccc(F)c(F)c4)C3)cc2)CC1 1288334658 MKUZJODKHUMGHU-QGZVFWFLSA-N 428.483 2.386 10 10 IECE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(C)n1Cc1ccc(N2CCSCC2)cc1 1297655207 MPNJROCLOVEZCW-MRXNPFEDSA-N 437.635 2.447 10 10 IECE O=C(c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O)N1C[C@H]2[C@H](C1)C2(F)F 1300217216 KKWWBPNDWMQJEI-GJZGRUSLSA-N 439.396 2.438 10 10 IECE O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cccnc1OCCO 1541100695 BRTJPYCNBNJAMD-UHFFFAOYSA-N 425.407 2.238 10 10 IECE CN1CC2(CN(C(=O)CCN3C(=O)/C(=C/c4ccc(F)cc4)SC3=S)C2)OC1=O 1557071731 DRBZODVLIAINTN-ZSOIEALJSA-N 435.502 2.080 10 10 IECE CCOc1ccc(N2CCN(C(=O)C3(O)CN(C(=O)OCc4ccccc4)C3)CC2)cc1 1596732898 KDRWFCBXCOWXCX-UHFFFAOYSA-N 439.512 2.117 10 10 IECE Cc1nc(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)nn1-c1ccc(F)cc1 1598009468 NEZGOVSZSROWJH-UHFFFAOYSA-N 436.491 2.347 10 10 IECE O=C(c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O)N1CCC[C@@H]2COC[C@@H]21 1629604391 CPOBOFVMJGLRLB-ACJLOTCBSA-N 447.469 2.352 10 10 IECE COC(=O)[C@@H]1O[C@@H](C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)C[C@H]1C 1629679876 UTOJUQLXEBFJBN-UTRMSSBJSA-N 449.548 2.401 10 10 IECE CN(C)c1ccc([C@H](CNC(=O)C[C@H]2CS(=O)(=O)c3ccccc3O2)N(C)C)cc1 1647138714 GIZIQJRXTNIKGI-OALUTQOASA-N 431.558 2.097 10 10 IECE COc1ccc(CNC(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)cc1S(N)(=O)=O 1683055209 XLJGHFFPOZLDAG-HNNXBMFYSA-N 434.562 2.147 10 10 IECE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2CCCSc2nccs2)CCO1 1696962679 LMXKEFKXLXUPTG-HNNXBMFYSA-N 448.574 2.437 10 10 IECE COc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2ccccc2O)c(OC)n1 1697449145 CMOPAQASDBIYRO-MRXNPFEDSA-N 438.488 2.032 10 10 IECE CC(C)Cc1nnc(N2CCC(C(N)=O)CC2)n1Cc1ccc(N2CCOCC2)cc1 1723297833 YJYRSXKVZMMUHP-UHFFFAOYSA-N 426.565 2.063 10 10 IECE CN(Cc1ccccc1O)c1nnc([C@@H]2CCC(=O)N2)n1CCCOC[C@@H]1CCOC1 1747750320 PDAWXPPNWPNLOO-WMZOPIPTSA-N 429.521 2.014 10 10 IECE CC(C)(C)c1nnc(N2CC[C@H](C(N)=O)C2)n1Cc1ccc(N2CCSCC2)cc1 1760725352 TXCZHZAJTSNVFF-KRWDZBQOSA-N 428.606 2.489 10 10 IECE CCOCc1nnc(N2CCN(c3ccc(OC)c(F)c3)CC2)n1C[C@@]1(C)COCCO1 1767936703 VSECKKRGRMFICQ-QFIPXVFZSA-N 449.527 2.094 10 10 IECE COC(=O)CCNC(=O)Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O 1860345260 YFPMKJVLRBBAAK-UHFFFAOYSA-N 430.464 2.254 10 10 IECE C[C@H]1CN(C(=O)c2ccccc2SCc2nnnn2-c2ccccc2)CCS1(=O)=O 737881058 SMKNAUXFGJLUSF-HNNXBMFYSA-N 443.554 2.214 10 10 IECE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)OCc3ccccc3)CC2)cc1 771723268 DPBUGKSBACSCEM-UHFFFAOYSA-N 433.530 2.073 10 10 IECE COc1ccc(N2CCN(C(=O)C[C@H]3CS(=O)(=O)c4ccccc4O3)CC2)cc1F 1150239331 DYMIETJBOBCWFZ-INIZCTEOSA-N 434.489 2.108 10 10 IECE CC(C)(C)C(=O)Nc1nccnc1C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1178039582 ZROJANVNZCHBQL-UHFFFAOYSA-N 438.532 2.093 10 10 IECE O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)N1CCC[C@@H](NC2CCOCC2)C1 1251750463 AZROGWLOUYOLHX-GOSISDBHSA-N 438.519 2.244 10 10 IECE COc1ccc(N2CCCN(c3nnc([C@H]4CCC(=O)N4)n3CC(C)(C)OC)CC2)cc1 1315513503 VFGAZICMIPVCHG-LJQANCHMSA-N 442.564 2.380 10 10 IECE NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)[C@H]3CCN(C(=O)c4ccccc4)C3)cc2)C1 1358168157 MSKQXGPZHAQTQH-SFTDATJTSA-N 434.540 2.167 10 10 IECE CC(C)(C)OC(=O)c1ccc(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)nc1 1437549359 NVLPQYDPMOUILH-UHFFFAOYSA-N 445.541 2.202 10 10 IECE Cn1nccc1[C@@H](O)C1CCN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC1 1470905560 PSMGSENMTMVZJU-QFIPXVFZSA-N 427.549 2.036 10 10 IECE CCN(Cc1cc(Br)ccc1O)C(=O)NCC1(S(=O)(=O)N(C)C)CC1 1471351651 GAGKEBBTTHMSEK-UHFFFAOYSA-N 434.356 2.110 10 10 IECE C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCCSc2nccs2)CC(=O)N1C 1512455806 OGSNJQLQLFENKW-HUUCEWRRSA-N 436.607 2.478 10 10 IECE C/C(=C\C(=O)N(CC(C)C)c1c(O)nc(=O)n(Cc2ccccc2)c1N)c1cnccn1 1521446294 ZOBZZABVQCOVPI-LFIBNONCSA-N 434.500 2.462 10 10 IECE COc1ccc(N2CC[C@@H](CNC(=O)[C@@H]3CCCN(CC(=O)OC(C)(C)C)C3=O)C2)cc1 1529706801 IFHAQZJXHFJIKH-PXNSSMCTSA-N 445.560 2.218 10 10 IECE COc1ccc(N2CC[C@H](CNC(=O)Cc3sc(CS(C)(=O)=O)nc3C)C2)cc1 1570565454 OGCMDMQCTLCJTF-OAHLLOKOSA-N 437.587 2.190 10 10 IECE COc1ccc(N(C)CCN(C)C(=O)[C@](C)(O)Cn2cc(C(F)(F)F)ccc2=O)cc1 1583622834 VTKUPKCIEVHEHA-HXUWFJFHSA-N 441.450 2.222 10 10 IECE CC(C)(C)OC(=O)[C@@H]1CN(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)CCO1 1681849537 CNMMIBOSEZQSLE-KRWDZBQOSA-N 441.475 2.054 10 10 IECE CN(C)c1ccc([C@H](CNC(=O)NC[C@@H](O)CN2CCc3ccccc3C2)N(C)C)cc1 1685609673 PSCKLSYAEMINJP-RPWUZVMVSA-N 439.604 2.074 10 10 IECE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCc1cccc(N(C)S(C)(=O)=O)c1 1687815766 VCKGEKQAARYGDF-UHFFFAOYSA-N 446.573 2.261 10 10 IECE C[C@H]1CN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(N(C)C)c(F)c2)CC(=O)N1C 1752351057 ZJYKFKQWMNXFLB-HNAYVOBHSA-N 430.528 2.440 10 10 IECE CCCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC(C)C)=C(N)O2 1864010138 IKABUTIQIRYQQS-KRWDZBQOSA-N 430.505 2.020 10 10 IECE CCCN1C(=O)C(=c2[nH]c(=O)c(=C3C=Cc4ccccc4N3CC)s2)SC1=S 252671952 OSJKGYNRKWPSGU-UHFFFAOYSA-N 429.592 2.476 10 10 IECE CC(C)OC(=O)N1CCC(NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC1 733039967 YPHOEKCBTGFQCP-SFHVURJKSA-N 445.564 2.197 10 10 IECE O=C(COC(=O)C1C[C@H]2COC[C@@H](C1)C2=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 740397589 ILYKKMXRVFGKDG-GOOCMWNKSA-N 447.443 2.185 10 10 IECE CCOC(=O)CN(CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)C1CCC1 767876618 QWWFGOIFVPMFII-IAGOWNOFSA-N 435.540 2.473 10 10 IECE Cc1ccc2ncc(C(=O)NCc3ccc(N4CCN(CC5CC5)CC4)cc3)c(=O)n2c1 768912525 ABUJVPGYKIIRBJ-UHFFFAOYSA-N 431.540 2.465 10 10 IECE 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COc1ccc(S(=O)(=O)C[C@@H](C)C(=O)NCc2ccc(N3CCC(O)CC3)cc2)cc1 1167762143 HSICMBHGZHIQFH-QGZVFWFLSA-N 446.569 2.383 10 10 IECE Cc1cc(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)c(C)n1-c1cnn(C)c1 1303721067 QDIHLWZFUGCDIQ-UHFFFAOYSA-N 434.544 2.459 10 10 IECE CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(N(C)C)cc2C)C[C@@H]1C 1313942250 OWRFOURONXZWDK-FXAWDEMLSA-N 425.581 2.182 10 10 IECE CCC[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(N(C)C)c(F)c2)CCO1 1500262040 AJYUSDOJQZBEHF-FUHWJXTLSA-N 430.528 2.488 10 10 IECE CCN(c1nnc(CC2CC2)n1Cc1ccc(N(C)C)c(F)c1)[C@H]1CCS(=O)(=O)C1 1515435228 QUMURWZTJZUENR-KRWDZBQOSA-N 435.569 2.497 10 10 IECE CCN(CC)c1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@H](C(=O)OC)C2)cc1 1515524641 GPTXALGNURPAFD-PKOBYXMFSA-N 440.548 2.123 10 10 IECE CCOCc1nnc(N2CCN(c3ccc(OC)c(F)c3)CC2)n1Cc1snnc1C 1548172811 DZMURDBXLDUVBS-UHFFFAOYSA-N 447.540 2.497 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NCC(C)(C)C3(O)CCCC3)CC2)cc1 1639200500 WDKARVNCXJXHEH-ZHACJKMWSA-N 429.561 2.348 10 10 IECE 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CC(C)[C@H](NC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@H](O)c1ccccc1 1687006111 FFFHEBIYGCCKRU-FCHUYYIVSA-N 445.585 2.479 10 10 IECE CN(Cc1ccccc1O)c1nnc([C@H]2CCC(=O)N2)n1CCCOCC1CCOCC1 1729420003 CKLSXUVMPHGRID-LJQANCHMSA-N 443.548 2.405 10 10 IECE Cc1cc(N(C)C)ccc1Cn1c(-c2ccc[nH]2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1761697363 DAYLQFXSSZPURM-SFHVURJKSA-N 428.562 2.319 10 10 IECE C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)NCc2ccc3c(c2)CCCN3C)CC1 729050988 NFTSNWHPXQLVOE-GOSISDBHSA-N 427.593 2.344 10 10 IECE CCN1CCN(c2ccc(CNC(=O)[C@@H](C)N3C(=O)c4ccccc4C3=O)cc2F)CC1 730193114 VLUWJDDZOJFBKN-MRXNPFEDSA-N 438.503 2.269 10 10 IECE CC(=O)N1CSC[C@H]1C(=O)OCC(=O)c1cc(C)n(-c2ccc3c(c2)OCO3)c1C 730312679 VHQWWCNKUHCYEE-KRWDZBQOSA-N 430.482 2.470 10 10 IECE CCOC(=O)[C@@H]1CN([C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)CCO1 741255097 PEXHCXMPRLMZNV-LIRRHRJNSA-N 436.464 2.053 10 10 IECE Cc1cc(C(=O)CN2CCc3ccnc(O)c3C2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 755195124 MBDLTMSLALLWKW-UHFFFAOYSA-N 440.525 2.083 10 10 IECE COc1cc(OC)c(S(=O)(=O)Nc2cccc(N3CCN(C(C)=O)CC3)c2)c(OC)c1 780408161 YAEDPKSTSVQIPC-UHFFFAOYSA-N 449.529 2.182 10 10 IECE COc1ccc(N2CCN(CCNC(=O)C(=O)N3CCC[C@@H]3c3ccsc3)CC2)cc1 803749552 HPYXZPIWXUDHHH-OAQYLSRUSA-N 442.585 2.359 10 10 IECE CCCCN(Cc1ccccc1O)C(=O)C(=O)NCc1cccc(N2CCOCC2)n1 805749682 PQMNQHIEYONWAN-UHFFFAOYSA-N 426.517 2.069 10 10 IECE Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CCC(O)(CN3CCOCC3)CC2)c1 1137769669 IYTYTRHCKPPHPJ-UHFFFAOYSA-N 425.529 2.206 10 10 IECE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)N(C)CCC(C)(C)C)CC2)cc1 1230738530 TVXDYADAAYFUPX-UHFFFAOYSA-N 440.610 2.225 10 10 IECE O=C(NCc1ccc(N2CCC(O)CC2)cc1)N1CCN(C(=O)c2ccccc2O)CC1 1233604199 NDNRNCPXBBNISR-UHFFFAOYSA-N 438.528 2.021 10 10 IECE CN(C)c1ccc([C@H](CNC(=O)[C@]2(C)C[C@@H](O)CN2C(=O)OC(C)(C)C)N(C)C)cc1 1304768695 OWHGPTYXBBETSX-MSYCTHLASA-N 434.581 2.232 10 10 IECE CC[C@@H]1CN(c2nnc(C)n2Cc2ccc(N3CCOCC3)cc2)CCN1CCOC 1306398132 GJCKTLWNGLKCTK-OAQYLSRUSA-N 428.581 2.018 10 10 IECE CN(C)c1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CC[C@@](C)(C(N)=O)C2)cc1F 1314660761 JGGCTQPEPQGDNE-KSFYIVLOSA-N 430.528 2.127 10 10 IECE COCc1n[nH]c(CNC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)n1 1469879244 RACZMSLYJFVIGB-WQLSENKSSA-N 437.572 2.310 10 10 IECE CCS(=O)(=O)CCCNC(=O)CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S 1536216330 MCXZOSJEDKAOAS-QINSGFPZSA-N 444.575 2.358 10 10 IECE COc1cc(N2CCN(C(=O)[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)cc(OC)c1OC 1556129739 OABDRICPMYAHAS-LJQANCHMSA-N 431.445 2.003 10 10 IECE CN(C)c1ccc([C@H](CNC(=O)c2cnn3c(=O)cc[nH]c23)NC(=O)OC(C)(C)C)cc1 1565882270 UNUWDMRLTNPCPS-KRWDZBQOSA-N 440.504 2.084 10 10 IECE Cn1ncc(Br)c1CC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 1566023172 NUYNQXBECDMMCB-UHFFFAOYSA-N 425.302 2.142 10 10 IECE CC(=O)N1CCN(c2cccc(NC(=O)c3cc(NS(C)(=O)=O)ccc3O)c2C)C1=O 1568972690 LPKUZVNCMWSYNM-UHFFFAOYSA-N 446.485 2.113 10 10 IECE Cc1cccc(-n2c(C)cc(CNC(=O)c3cc4c(=O)n(C)c(=O)n(C)c4n3C)c2C)c1 1596471188 BYMHWLKEEMWHSV-UHFFFAOYSA-N 433.512 2.222 10 10 IECE CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C 1625794502 KNRAMHWUYNPFSQ-SFHVURJKSA-N 441.594 2.429 10 10 IECE O=C(C[C@@H]1CS(=O)(=O)c2ccccc2O1)NCc1ccc(N2CCSCC2)cc1 1625969969 NHXIAGYBHNLDPV-GOSISDBHSA-N 432.567 2.481 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CCC(C)(N4CCCC4)CC3)CC2)cc1 1631456629 SMDACGPLXUUZIB-MDZDMXLPSA-N 440.588 2.377 10 10 IECE CC(=O)N1CCN(c2ccc(CNC(=O)c3coc(Sc4ncccn4)n3)cc2)CC1 1632950246 OKVSPTDVOJKBQC-UHFFFAOYSA-N 438.513 2.214 10 10 IECE C[C@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1ccc(S(N)(=O)=O)cc1 1638732752 CTEZAXURQBSMSH-MGPUTAFESA-N 433.578 2.063 10 10 IECE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N[C@H]1CCOc2ccc(F)cc21 1681614196 AUQNOBCXUVLYSY-IBGZPJMESA-N 433.505 2.384 10 10 IECE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(N(C)C)c(F)c2)C1 1705913888 AMOBXERJTVFDFV-QGZVFWFLSA-N 430.528 2.451 10 10 IECE Cc1cc(N(C)C)ccc1Cn1c(CN2CCCC2=O)nnc1N1CC[C@@](F)(C#N)C1 1707305689 IGMDSNLNGUVKJX-JOCHJYFZSA-N 425.512 2.265 10 10 IECE Cc1cc(N(C)C)ccc1Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1761698545 YTPZTAIWSASUMT-UYAOXDASSA-N 447.605 2.218 10 10 IECE CCOCc1nnc(N2CCO[C@]3(CCOC3)C2)n1CCCSc1nccs1 1766441311 CVGPBFPHKWWYDP-GOSISDBHSA-N 425.580 2.449 10 10 IECE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3S(=O)(=O)c3cccc(F)c3)CC2)cc1 1891746392 KTKBTGRGYDYMEW-OAQYLSRUSA-N 447.532 2.336 10 10 IECE COc1ccc(Br)c(CNC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c1O 2227749125 SCBZWDKIAXYQNM-FZMZJTMJSA-N 431.327 2.481 10 10 IECE CC(=O)N1C(=O)/C(=C2/SC(=S)N(NC(=O)c3ccc(O)cc3)C2=O)c2ccccc21 33635994 AHHKXDMBYGANLC-FOCLMDBBSA-N 439.474 2.202 10 10 IECE COc1ccc(N2CCN(CCNC(=O)NCc3ccc(C(=O)N(C)C)cc3)CC2)cc1 742939156 AUSAVPWVJRFIHB-UHFFFAOYSA-N 439.560 2.018 10 10 IECE COCc1nc([C@@H]2COCCN2C(=O)NCc2ccc(N3CCSCC3)cc2)no1 780820953 POZIGUVCMUBGEO-KRWDZBQOSA-N 433.534 2.052 10 10 IECE CNS(=O)(=O)c1cccc(NC(=O)CNCc2cc(C)cc(Br)c2O)c1 781629218 FCMXURRGVCZFHT-UHFFFAOYSA-N 442.335 2.100 10 10 IECE C[C@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)N1CCO[C@@H](C(=O)C2CC2)C1 801542190 CHZWCSNGNPICNL-SPLOXXLWSA-N 432.476 2.469 10 10 IECE COC(=O)[C@H]1CCN(Cc2c(O)ccc3ccc(O)c(CN4CC[C@H](C(=O)OC)C4)c23)C1 917478757 FFNPQBDGFOXOSG-IRXDYDNUSA-N 442.512 2.241 10 10 IECE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@@H]3CCCC(F)(F)C3)CC2)cc1 1130865735 UOXMCVVFLHEWTO-MRXNPFEDSA-N 445.532 2.089 10 10 IECE COC(=O)N1CCN(c2nnc(C)n2Cc2ccc(N3CCSCC3)cc2)C[C@@H]1C 1299430976 CUXOIPDQJYDFCN-INIZCTEOSA-N 430.578 2.465 10 10 IECE Cc1cc(-c2nnc(N3CCNC(=O)C3)n2CCCC(=O)N(C)C)c(C)n1-c1ccccc1 1304196812 NHDCFAUEZPYEDJ-UHFFFAOYSA-N 449.559 2.157 10 10 IECE CN(C)c1ccc([C@H](CNC(=O)NCCc2ccccc2S(C)(=O)=O)N(C)C)cc1 1313271690 VATNFCSGQVKLDU-FQEVSTJZSA-N 432.590 2.301 10 10 IECE NC(=O)C1CCN(c2ccc(CNC(=O)c3cnn(Cc4ccccc4)c3N)cc2)CC1 1455865172 FHJDNDGVIXHEQE-UHFFFAOYSA-N 432.528 2.145 10 10 IECE Cc1c(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)cnn1C1CCOCC1 1455867556 RIPFZUYCRKGDOK-UHFFFAOYSA-N 425.533 2.175 10 10 IECE 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CC(C)n1cnc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc(N(C)C)cc3)C2)c1 64958377 RBTKDFWGHJIVBD-SFHVURJKSA-N 433.578 2.247 10 10 IECE C[C@@H](O)CNc1nc2ccccc2n1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 772880109 VCGILNDGIHTQIK-MRXNPFEDSA-N 441.507 2.121 10 10 IECE COCCN(C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O)[C@H]1CCOC1 787848799 BOLNQSWYBIKRBI-AWEZNQCLSA-N 426.516 2.132 10 10 IECE C[C@@H]1CN(C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)C[C@@]2(CCOC2)O1 793131554 ILHPAHQQXRNETB-NTKDMRAZSA-N 428.577 2.308 10 10 IECE Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2cc(Br)ccc2O)cc1 804733999 VDEYQHIXXCWNFL-LBPRGKRZSA-N 427.320 2.446 10 10 IECE Nc1c(C(=O)OCC(=O)N2CCO[C@@H]3CCCC[C@H]32)ccc2c1C(=O)c1ccccc1C2=O 918848370 VLADOUDWDGQEKZ-RTBURBONSA-N 448.475 2.371 10 10 IECE COc1ccc(N2CCN(C(=O)c3ccc(N4CCCS4(=O)=O)cc3)CC2)c(OC)c1 1131804966 UGOVYQWYECTJDR-UHFFFAOYSA-N 445.541 2.206 10 10 IECE COc1ccc(N2CCN(C[C@@H](O)CN[C@](C)(CO)Cc3ccc(Cl)cc3)CC2)cc1 1176600068 RRGMGZDCZIJFDK-UPVQGACJSA-N 448.007 2.415 10 10 IECE CN(Cc1ccccc1O)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCCC1 1298363237 AUANJQUZOOBTKI-GOSISDBHSA-N 447.605 2.397 10 10 IECE CN1C[C@H](C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)N(C(=O)OC(C)(C)C)CC1=O 1353242703 YQBDWVAONJVQPU-LJQANCHMSA-N 430.549 2.321 10 10 IECE COc1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cc(Cl)c1OCC(N)=O 1439961308 QOKAWBOFUFJVBF-GOSISDBHSA-N 448.951 2.311 10 10 IECE CCOC(=O)[C@@H]1CCCN(CC(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)C1 1445877721 ALBUZUGOBCBNSI-APWZRJJASA-N 437.968 2.401 10 10 IECE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@@H]3CC[C@@H](C)[C@H](C)C3)CC2)cc1 1461395400 BXYBRHFDBJMEDK-GUDVDZBRSA-N 437.606 2.336 10 10 IECE COc1ccc(N2CC[C@@H](CNC(=O)NCCn3cc(Br)ccc3=O)C2)cc1 1470349311 DUXRFJVCBIUQPB-HNNXBMFYSA-N 449.349 2.445 10 10 IECE COCCCn1c(-c2cnccn2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1519069314 VLAVISTVRWBZTQ-UHFFFAOYSA-N 427.484 2.246 10 10 IECE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccccc2O)n1CCc1ccn(C)n1 1519411355 GYZXDBIUSXGPSC-PXNSSMCTSA-N 426.521 2.320 10 10 IECE 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CCOc1cc(/C=C2\SC(=S)N([C@H](C)C(=O)NCCCC(=O)O)C2=O)ccc1O 15048223 LAQOSXXSXQAQSC-MKVLZVNKSA-N 438.527 2.362 10 10 IECE CCOc1ccccc1OCC(=O)NC1CCN(C(=O)c2cc(O)c(O)c(O)c2)CC1 169863013 KYNWTNPPHQHUSM-UHFFFAOYSA-N 430.457 2.002 10 10 IECE COc1ccc(N2CCN(CCCNC(=O)[C@H]3CCCN3c3nccs3)CC2)cc1 195560050 RMGSGUMZYODADQ-HXUWFJFHSA-N 429.590 2.449 10 10 IECE COc1ccc(N2CCN(CCCNC(=O)N3CC(=O)N(C(C)C)C(C)(C)C3)CC2)cc1 745349855 JOUUIONZQCZBIG-UHFFFAOYSA-N 445.608 2.248 10 10 IECE CC[C@]1(C2CC2)NC(=O)N(CC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)C1=O 758772698 BLXQVKPRWONMOW-GGOJBBCOSA-N 446.523 2.166 10 10 IECE COc1c(C)cc(C)cc1S(=O)(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 800901840 ZETXXOIMXCMMJI-GOSISDBHSA-N 431.558 2.492 10 10 IECE Cc1cc(COCC(=O)OCC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)on1 801461235 JTJPWLVZMNXMPT-HZPDHXFCSA-N 449.479 2.112 10 10 IECE CCc1nnc(N2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)n1C[C@@H]1CCCO1 802689764 QLZKQHIDLJYORE-KRWDZBQOSA-N 431.537 2.372 10 10 IECE 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COC(=O)c1cc(C(=O)OC)n(CC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)n1 779795713 WZWAPGRLXHMYSJ-UHFFFAOYSA-N 439.424 2.475 10 10 IECE COc1ccc(N2CCN(CCNC(=O)NC[C@H](O)CCc3ccccc3)CC2)cc1 784250760 CNLYSEQZJSCINB-JOCHJYFZSA-N 426.561 2.110 10 10 IECE CCN(CC)S(=O)(=O)c1cc(C(=O)N(C)CCN(C)c2ccc(OC)cc2)n(C)c1 1130544825 VECGZZBQJFPNTB-UHFFFAOYSA-N 436.578 2.273 10 10 IECE COc1ccc(S(=O)(=O)C[C@H](C)C(=O)NCc2ccc(N3CCC(O)CC3)cc2)cc1 1167762142 HSICMBHGZHIQFH-KRWDZBQOSA-N 446.569 2.383 10 10 IECE NC(=O)C1CCN(c2ccc(CNC(=O)N3CC[C@H](n4cc(Cl)cn4)C3)cc2)CC1 1255508926 JJMWNACNHCNNBE-IBGZPJMESA-N 430.940 2.395 10 10 IECE O=C(NCCNC(=O)OCc1ccccc1)NCc1ccc(N2CCOCC2)c(F)c1 1256466840 VSZKHCPBWDKBJI-UHFFFAOYSA-N 430.480 2.388 10 10 IECE COCCCN(C)c1nnc(CN2CCCC2=O)n1Cc1ccc2c(c1)CCCN2C 1301600426 BRWSORJDEMYWNB-UHFFFAOYSA-N 426.565 2.304 10 10 IECE CCc1nnc(N2CCN(c3ccc(OC)c(F)c3)CC2)n1CC(C)(C)N1CCOCC1 1306197413 YYEWATZJIQDTJF-UHFFFAOYSA-N 446.571 2.426 10 10 IECE COC[C@H]1C[C@@H](O)CN1C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 1469811709 HYIKWHSRCZTYNT-SICXBXQRSA-N 426.585 2.338 10 10 IECE CN(C)c1ccc([C@H](CNC(=O)NC2(CCO)CN(C(=O)OC(C)(C)C)C2)N(C)C)cc1 1479532340 BEMHZXCRAYSICI-IBGZPJMESA-N 449.596 2.026 10 10 IECE CCC(CC)NC(=O)c1nnc(N2CCOCC2)n1Cc1ccc2c(c1)CCCN2C 1497107989 IOKUQLGKDOHWRP-UHFFFAOYSA-N 426.565 2.464 10 10 IECE CNC(=O)c1c(NC(=O)CCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)n[nH]c1C 1534092662 YBSRTMARABCJLM-LCYFTJDESA-N 447.517 2.447 10 10 IECE O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)N1CCC[C@H](N2CCCCC2=O)C1 1564895464 JOIZHZVGTLSVOR-KRWDZBQOSA-N 436.503 2.488 10 10 IECE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)CCc1c(C)nc2c(C(N)=O)cnn2c1C 1597801102 XEXAQPWSCBKNTK-OAHLLOKOSA-N 436.560 2.499 10 10 IECE NC(=O)C1CCN(c2ccc(CNC(=O)N3CCN(c4cccs4)CC3)cc2)CC1 1684169906 WBCFLRPMZLHFIP-UHFFFAOYSA-N 427.574 2.482 10 10 IECE CCC[C@H]1CCCN1C(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1686987306 WBUBWXXCXHGNBC-IBGZPJMESA-N 438.594 2.121 10 10 IECE COC(=O)c1cc2n(n1)CCC[C@@H]2NC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 1687791184 QTQKITUHASDLSY-INIZCTEOSA-N 431.468 2.184 10 10 IECE CN(C)C(=O)CCn1c(C2CCC2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1696584573 DXEHQPKAPVRCSC-UHFFFAOYSA-N 426.565 2.497 10 10 IECE CC(=O)NC[C@H]1CCCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(N(C)C)c(F)c2)C1 1760660051 RUHKVBUIFMOAIU-MOPGFXCFSA-N 444.555 2.388 10 10 IECE CCOc1cc(/C=C2\SC(=S)N([C@@H](C)C(=O)NCCCC(=O)O)C2=O)ccc1O 15048219 LAQOSXXSXQAQSC-SAIXKJTDSA-N 438.527 2.362 10 10 IECE COc1ccc(N2CCN(CCCNC(=O)Nc3cnn(-c4ncccn4)c3)CC2)cc1 746033168 KXMMLDAYIFLICQ-UHFFFAOYSA-N 436.520 2.005 10 10 IECE COc1ccc(N2CCN(C[C@@H](O)CN3CCC(c4nccc(C)n4)CC3)CC2)cc1 755218800 PNIBPXQKILCXML-QFIPXVFZSA-N 425.577 2.156 10 10 IECE C[C@H]1OCC[C@@]12CN(C(=O)NCc1ccc(N3CCN(CC4CC4)CC3)cc1)CCO2 792158429 OLBFDRIYDRHJKP-NTKDMRAZSA-N 428.577 2.308 10 10 IECE COc1ccc(CNC(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)c(O)c1 794387473 IQNAJBDTZHYPLG-UHFFFAOYSA-N 433.258 2.466 10 10 IECE Cc1c(C(=O)OCC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)nnn1C(C)C 796658482 NREYOJBIWFEHLS-GJZGRUSLSA-N 447.511 2.393 10 10 IECE O=C(NCc1c(O)ccc2ccccc12)c1ccccc1S(=O)(=O)N1CCOCC1 1179029095 JIOFZXWHYLXWPH-UHFFFAOYSA-N 426.494 2.496 10 10 IECE CCCCN(C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1O 1294226692 XCLBGGGOKKGTQA-GOSISDBHSA-N 435.594 2.254 10 10 IECE CN(C)c1ccc(Cn2c(-c3cnn(C)c3)nnc2N(C)CC(=O)NC(C)(C)C)cc1F 1314660686 HKYZHNWEJUZGSW-UHFFFAOYSA-N 442.543 2.283 10 10 IECE CN(Cc1ccc(N2CCOCC2)cc1)c1nnc(C(C)(C)C)n1C[C@]1(O)CCOC1 1314738107 WBKGHWLJDVNMAA-HSZRJFAPSA-N 429.565 2.200 10 10 IECE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(N(C)C)c(F)c2)C1 1314973078 LGHHQZGCOAIMOX-QFIPXVFZSA-N 425.512 2.489 10 10 IECE COc1ccc(N2CCCN(c3nnc(-c4cnn(C)c4)n3CC(C)(C)O)CC2)cc1 1315515050 DRKYSODGBHNBLR-UHFFFAOYSA-N 425.537 2.175 10 10 IECE CN1CCN(c2ccc(CN3CC(S(=O)(=O)N4CCc5ccccc54)C3)cc2F)CC1 1320041975 VCDSBTGMFOXNKB-UHFFFAOYSA-N 444.576 2.154 10 10 IECE CS(=O)(=O)N1CCC[C@H](C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 1354764611 DLFOXUALGHPBAG-GJZGRUSLSA-N 431.505 2.045 10 10 IECE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnn2cccc(Br)c12 1466674066 GPBFXCWMZSTZOY-AWEZNQCLSA-N 448.273 2.412 10 10 IECE C[S@@](=O)C1(CNC(=O)CCN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)CC1 1467417706 IHLLBXSTPOVPME-RQFVKHKJSA-N 426.560 2.444 10 10 IECE CN(C)c1ccc(Cn2c(-c3ccc[nH]3)nnc2N(C)CCCS(C)(=O)=O)cc1F 1503394699 WQWIQWGDHFPNRD-UHFFFAOYSA-N 434.541 2.398 10 10 IECE NC(=O)C1CCN(c2ccc(CNC(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C(F)(F)F)cc2)CC1 1538131818 OFFYMXUQNSDJAW-BDXSIMOUSA-N 425.451 2.360 10 10 IECE CCc1nnc(N2CCO[C@H](C(F)(F)F)C2)n1Cc1ccc(N2CCOCC2)cc1 1546546813 JLNOSNDBNKDSAY-KRWDZBQOSA-N 425.455 2.493 10 10 IECE CN(CCCS(C)(=O)=O)c1nnc(C2CCC2)n1Cc1ccc(N2CCOCC2)cc1 1554287604 RHNRFOIQCPMAMW-UHFFFAOYSA-N 447.605 2.301 10 10 IECE O=C(CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)NCCCC1=NNC(=O)C1 1569973192 IGBSNMNOBKHNRI-XNTDXEJSSA-N 434.518 2.189 10 10 IECE NC(=O)C1CCN(c2ccc(CNC(=O)CCN3CCN(c4ccccc4)CC3)cc2)CC1 1596356119 ZRVUOCSFDUFPRQ-UHFFFAOYSA-N 449.599 2.217 10 10 IECE CN(C)C(=O)[C@H]1CCN(C(=O)CCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)C1 1597325840 OGYZYWHFPAZSIU-HNDQUVLASA-N 435.546 2.354 10 10 IECE CCOCc1nnc(N2CCN(C(=O)OC)CC2)n1Cc1ccc2c(c1)CCCN2C 1616904318 RIDBNPLLSSJFKK-UHFFFAOYSA-N 428.537 2.134 10 10 IECE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)NCc2cc(Cl)ccc2O)C1=O 1632228791 UBWCZCCOJLMKIL-NRFANRHFSA-N 431.876 2.446 10 10 IECE CN(C)c1ccc([C@H](CNC(=O)C[C@@H]2CS(=O)(=O)c3ccccc3O2)N(C)C)cc1 1647138713 GIZIQJRXTNIKGI-MOPGFXCFSA-N 431.558 2.097 10 10 IECE C[C@@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N2CCOCC2)cc1 1706744241 KFZQWUFWGZTIPA-SFHVURJKSA-N 437.548 2.137 10 10 IECE CCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CC1)=C(N)O2 1864018257 GXMCRPSRRRCVPY-SFHVURJKSA-N 433.468 2.214 10 10 IECE CCOCCCN1C(=O)/C(=C\c2c(NCCO)nc3ccc(C)cn3c2=O)SC1=S 33361459 DOOSCWFEZTUNRD-RVDMUPIBSA-N 448.570 2.035 10 10 IECE COc1cc(/C=C2/SC(=S)N(CCCCCC(=O)NCC(=O)O)C2=O)ccc1O 210749158 VZICGLMBYNNOPC-XNTDXEJSSA-N 438.527 2.363 10 10 IECE CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1 727753064 IQFIRRVSRNJGJN-NQIIRXRSSA-N 448.633 2.271 10 10 IECE Cc1cc(C(=O)COC(=O)[C@]2(C)C[C@H]3CC[C@H]2O3)c(C)n1-c1ccc(S(N)(=O)=O)cc1 791562631 YYMYBSKRQAWOIJ-BSLALVQMSA-N 446.525 2.425 10 10 IECE Cc1ccc(-n2nnc(CC(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)c2C)cc1 920004638 XPLZLJVRYZQNBN-HXUWFJFHSA-N 446.555 2.445 10 10 IECE COc1ccc2c(c1)c1c(n2CC(=O)NCCS(=O)(=O)NCC2CCC2)CCCC1 1136633942 IKBIGRPOAKZOOQ-UHFFFAOYSA-N 433.574 2.364 10 10 IECE CCOC(=O)C1=C(COc2ccc(N(C)C)c(C(=O)OC)c2)NC(=O)N[C@H]1c1ccco1 1307388243 ANXOKZNHKXNBAK-IBGZPJMESA-N 443.456 2.382 10 10 IECE C[C@H]1CN(c2ccc(CNC(=O)CN3CC[C@@H](c4ncccn4)C3)cc2F)C[C@@H](C)O1 1308115735 XCDCJDPKOLWUKV-ZIFCJYIRSA-N 427.524 2.335 10 10 IECE COc1ccc(N2CC[C@@H](NC(=O)CN(C)S(=O)(=O)c3ccc(Cl)cc3)C2)cc1 1437577023 KWFFRWGIEMNJMM-MRXNPFEDSA-N 437.949 2.364 10 10 IECE CCN(CC)S(=O)(=O)c1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)n(C)c1 1439961650 RUQGKCIXIVPOCP-OAQYLSRUSA-N 449.621 2.154 10 10 IECE COCCN1CCN(CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C(C)(C)C1 1460327401 CNUSXGIANOXTGO-UHFFFAOYSA-N 435.524 2.443 10 10 IECE COC(=O)[C@@H]1CCN(CC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)[C@H](C)C1 1460822280 VZKIBCAHUHCVIF-YWTNHNAXSA-N 435.540 2.329 10 10 IECE COc1ccc(N2CCN(C(=O)[C@@H](C)S(=O)(=O)c3ccc(F)cc3)CC2)c(OC)c1 1461981247 JPWLYTRJOLWBPT-OAHLLOKOSA-N 436.505 2.354 10 10 IECE O=C1/C(=C/c2ccc(Br)cc2)SC(=S)N1CC(=O)N1CC[C@@H]1CO 1463017335 GGEQNQMEJFAUNC-BFTHVDOESA-N 427.345 2.244 10 10 IECE COC[C@@H](C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1504574182 YEAPJHGKRKCMJA-INIZCTEOSA-N 443.527 2.435 10 10 IECE CC[C@H](C)c1nnc(N2CCN(C)C(=O)C2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1545531627 WODUSSAFJCJMRS-SFHVURJKSA-N 440.592 2.327 10 10 IECE CC(=O)N1CCN(c2ccc(CNC(=O)c3cc(C)nn3C3CCOCC3)cc2)CC1 1634074998 YCZRRCTUNDDKOX-UHFFFAOYSA-N 425.533 2.142 10 10 IECE CCc1noc(C[C@@]2(O)CCCN(C(=O)NC[C@H]3CCN(c4ccc(OC)cc4)C3)C2)n1 1636353645 FZONLHAMFNVCRR-HXOBKFHXSA-N 443.548 2.246 10 10 IECE C[C@@H](CN(C)C(=O)OC(C)(C)C)NC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1637238155 FKHYEJALSJJUDN-INIZCTEOSA-N 447.580 2.443 10 10 IECE Cc1c(Br)cnc(O)c1C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1638489363 XTUZDXSZEBFXGU-UHFFFAOYSA-N 447.333 2.490 10 10 IECE COC[C@]1(CNC(=O)NCc2ccc(N3CCN(C)CC3)cc2)OCCc2ccccc21 1683024795 RCPWXPIPCKBAAX-VWLOTQADSA-N 438.572 2.352 10 10 IECE CCOC(=O)C(CC)(CC)CNC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1683734892 QSVVXWGIFAULRO-UHFFFAOYSA-N 439.578 2.090 10 10 IECE C[C@@H](CS(C)(=O)=O)N(C)c1nnc([C@H]2CCOC2)n1Cc1ccc2c(c1)CCCN2C 1741890519 GTISWBKILCUHFU-LPHOPBHVSA-N 447.605 2.082 10 10 IECE CC(C)c1nnc(N2CCN(C(=O)[C@H]3CCCO3)CC2)n1Cc1ccc(N(C)C)c(F)c1 1760928589 HRHUWJPSTNLVSV-HXUWFJFHSA-N 444.555 2.483 10 10 IECE CO[C@H]1CN(c2nnc(CC(C)C)n2Cc2ccc(N3CCOCC3)c(F)c2)C[C@H]1OC 1771340098 CODOANUZVQHBMB-OYRHEFFESA-N 447.555 2.351 10 10 IECE CN(C)c1ccc([C@@H](NC(=O)C2CCN(C(=O)C(F)(F)F)CC2)c2nccn2C)cc1 1865977182 SLJOAMHEULMGFL-QGZVFWFLSA-N 437.466 2.493 10 10 IECE CCOC(=O)N1CCN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(C)n2)CC1 1867990454 NMYKZHAVFFWETN-UHFFFAOYSA-N 440.548 2.399 10 10 IECE COc1ccc(N2C(=O)/C(=C/NN3CCOCC3)C(=O)N(c3ccccc3)C2=S)cc1 38169727 PZGGTPCZEHIAFM-XDJHFCHBSA-N 438.509 2.081 10 10 IECE CCn1nc(C)cc1C(=O)OCC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 726018263 OWYFHGSZGMUTHN-IYBDPMFKSA-N 432.496 2.437 10 10 IECE CN(C)c1ccc(CNC(=O)c2ccc(Br)c(S(N)(=O)=O)c2)cc1F 746894262 MIFUHMXDSJIFDI-UHFFFAOYSA-N 430.299 2.232 10 10 IECE COc1ccc(N2CCN(C[C@@H](O)CN3CCC[C@H](NC(=O)OC(C)(C)C)C3)CC2)cc1 754011141 BKWIMMHXZYRZOH-PZJWPPBQSA-N 448.608 2.167 10 10 IECE C[C@@]1(c2ccc(S(C)(=O)=O)cc2)NC(=O)N(Cc2ccc(N3CC=CC3)cc2)C1=O 804173610 YPUSFQNPRZNRPH-QFIPXVFZSA-N 425.510 2.434 10 10 IECE COc1ccc(N2C[C@@H](C(=O)N3CCN(c4ccc(OC)cc4OC)CC3)CC2=O)cc1 1131805228 ZTWXUADKTUVXJH-KRWDZBQOSA-N 439.512 2.414 10 10 IECE COc1ccc(O)c([C@H](C)NC(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)c1 1137473693 RZTFOXVOWSTHDJ-DZGCQCFKSA-N 442.534 2.002 10 10 IECE O=C(CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)NCCCn1cccnc1=O 1140122860 YTHGGUWFVBRMRF-DTQAZKPQSA-N 446.529 2.180 10 10 IECE CN(c1ccc(CNC(=O)c2cc3n(n2)CCN(C)S3(=O)=O)cc1)C1CCCCC1 1142527961 BVGGGBJFUJPUQQ-UHFFFAOYSA-N 431.562 2.216 10 10 IECE COc1ccc(N(C)CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cc1 1171746127 NYNXODLBUMLTFI-UHFFFAOYSA-N 443.569 2.153 10 10 IECE CCOC(=O)CN(Cc1ccccc1O)C(=O)CNC(=O)c1ccc(Br)cc1 1299698756 DUPLTNQLFWKEPP-UHFFFAOYSA-N 449.301 2.476 10 10 IECE O=C(COc1cc2c(cc1[N+](=O)[O-])OCCO2)NCc1ccc(N2CCOCC2)c(F)c1 1307407586 OFBNNEXSGXCJNL-UHFFFAOYSA-N 447.419 2.037 10 10 IECE Cn1cc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(=O)c2cnn(C)c21 1444988578 QBKUZIWLFRWJQA-ZDUSSCGKSA-N 431.443 2.272 10 10 IECE O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@H]1C[C@@H]2CC[C@H](C1)S2(=O)=O 1445884429 PFUSSAUHUSARNR-PILAGYSTSA-N 426.966 2.482 10 10 IECE O=C1/C(=C/c2cccs2)SC(=S)N1CCCC(=O)N1C[C@@H]2C[C@H]1C[S@]2=O 1452763728 ICVCWCUUOFDJJZ-ZAFKZEOYSA-N 426.610 2.461 10 10 IECE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@@H]3CC[C@H](C)[C@H](C)C3)CC2)cc1 1461395402 BXYBRHFDBJMEDK-IPMKNSEASA-N 437.606 2.336 10 10 IECE COc1ccc(N2CCN(CCNC(=O)[C@@H]3CCO[C@H](c4ccccc4)O3)CC2)cc1 1464543067 ONFSDAPGJWXWKC-UPVQGACJSA-N 425.529 2.438 10 10 IECE CN(C)c1ccc([C@H](CNC(=O)N2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)N(C)C)cc1 1479535395 UFFDMEMHVNMFOE-BHIFYINESA-N 428.581 2.387 10 10 IECE CC[C@@H](C)c1nnc(N2CC(=O)N(C)C[C@H]2C)n1Cc1ccc(N2CCOCC2)cc1 1495264415 FSVKLRQUQIIBSH-QZTJIDSGSA-N 426.565 2.343 10 10 IECE CCN1CCCN(c2nnc(C(C)C)n2Cc2ccc(N3CCOCC3)c(F)c2)CC1=O 1515883177 WUHIRHYHEZLVTB-UHFFFAOYSA-N 444.555 2.484 10 10 IECE COCC(=O)N1CCN(c2nnc(CC(C)C)n2Cc2ccc(N(C)C)c(F)c2)CC1 1518654495 FSJQSYPYYCNFAF-UHFFFAOYSA-N 432.544 2.025 10 10 IECE CC(=O)N1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(N(C)C)c(F)c2)[C@H](C)C1 1540988326 ILOTYCHVDXTWOG-APWZRJJASA-N 444.555 2.483 10 10 IECE COc1cc(N2CCN(C(=O)c3cc([C@@H]4CCCN4C)[nH]n3)CC2)cc(OC)c1OC 1556129800 PXRDYZUQSVVEPZ-SFHVURJKSA-N 429.521 2.165 10 10 IECE O=C(CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)N1CCc2c(O)ncnc2C1 1556191766 QCAQKTMNCDNCKX-SXGWCWSVSA-N 444.513 2.498 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N[C@H](C3CCC3)[C@@H]3CCOC3)CC2)cc1 1557990799 XNSYSSSALXCREK-ZLWFTYKOSA-N 427.545 2.221 10 10 IECE O=C(NCc1ccc(N2CCC(O)CC2)cc1)N1CCOC[C@H]1C[C@@H](O)c1ccco1 1565127551 WFCPAZPHQNZSLR-TZIWHRDSSA-N 429.517 2.275 10 10 IECE CN(CCN1C(=O)c2ccccc2C1=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C 1565453087 RHWPPTILRMWPEC-OAQYLSRUSA-N 437.544 2.293 10 10 IECE CN(C)c1ccc([C@@H](CNC(=O)CS(=O)(=O)C2CC2)NC(=O)OC(C)(C)C)cc1 1629678521 BPCMWQHAVSAFPF-QGZVFWFLSA-N 425.551 2.012 10 10 IECE Cc1cn(C(C)(C)C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cn1 1630903200 IFWYQQLEGKJKHB-UHFFFAOYSA-N 437.523 2.499 10 10 IECE CN1CC2(CN(C(=O)CCCN3C(=O)/C(=C\c4cccs4)SC3=S)C2)OC1=O 1638281600 PMRVSHRJNZMHEH-MDWZMJQESA-N 437.568 2.393 10 10 IECE CCOC(=O)CN(Cc1ccccc1O)C(=O)c1ccc(N2CCC[C@H](C(N)=O)C2)cc1 1638529360 MVWKJYUPSMUIHP-IBGZPJMESA-N 439.512 2.299 10 10 IECE CCCCOC(=O)C(C)(C)NC(=O)/C=C/C(=O)N1CCN(c2ccc(OC)cc2)CC1 1639284827 AXJNZQVGKRIRIA-VAWYXSNFSA-N 431.533 2.138 10 10 IECE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N1CCC[C@H]1[C@H](O)c1ccccc1 1674276551 JTSDAWUWALOHSA-FCHUYYIVSA-N 443.569 2.329 10 10 IECE CCOCc1nnc(N2C[C@H](C)O[C@@H](C)C2)n1Cc1ccc(N2CCOCC2)c(F)c1 1696277461 YUYQSWXVTPHPJV-IRXDYDNUSA-N 433.528 2.452 10 10 IECE Cc1cc(N(C)C)ccc1Cn1c([C@H]2CCCOC2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1742141170 ACQOUJCXBKJOCJ-AZUAARDMSA-N 447.605 2.218 10 10 IECE Cc1ccc2nc(N3C[C@H](C)O[C@@H](C)C3)c(/C=C3\SC(=S)N(C)C3=O)c(=O)n2c1 1772719564 VCOFRIXFMCJYGW-FLOSXWIUSA-N 430.555 2.448 10 10 IECE NC(=O)c1cn(C[C@H]2C[C@H](F)CN2C(=O)CCn2c3c(c4ccccc42)CCCC3)nn1 2297645718 TXAQDDWDJOCQPU-JKSUJKDBSA-N 438.507 2.240 10 10 IECE COc1ccc(N2CCN(C(=O)Cn3nc(C)n4c(cc5sccc54)c3=O)CC2)cc1 9848520 PBFZSKBXXMVLTF-UHFFFAOYSA-N 437.525 2.377 10 10 IECE CN1CCN(C(=O)CN2C(=O)/C(=C\c3cccc(Br)c3)SC2=S)CC1 33323843 RTCRTXHBOPWYJL-GXDHUFHOSA-N 440.388 2.424 10 10 IECE COc1cc(/C=C2/SC(=S)N(CC(=O)NCCCCCC(=O)O)C2=O)ccc1O 210682538 FXTHZNGEMILIQX-XNTDXEJSSA-N 438.527 2.363 10 10 IECE CCN(CC)c1ccc(CNC(=O)N2[C@H]3CC[C@H]2[C@H](C(=O)OC)[C@H]3C(=O)OC)cc1F 749194293 QKXNYPWRCOVMRI-VJANTYMQSA-N 435.496 2.307 10 10 IECE O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)N1CCC12CCOCC2 765477821 PRGWSQORTIVOPK-UHFFFAOYSA-N 440.523 2.407 10 10 IECE C[C@@H]1CCOCCN1C(=O)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O 775596986 ZDYSHXJGWGWWGW-CYBMUJFWSA-N 435.458 2.352 10 10 IECE COc1ccc(N2CCN(CCNC(=O)N3C[C@H](C)O[C@@]4(CCO[C@@H](C)C4)C3)CC2)cc1 797440337 SNRBTNDBMLVHIX-MZLICYQSSA-N 446.592 2.185 10 10 IECE CN(C)c1ccc(CNC(=O)[C@@]2(F)CN(C(=O)OC(C)(C)C)CC23COC3)cc1F 1142565883 OAJYTNGGJUNSQY-NRFANRHFSA-N 425.476 2.484 10 10 IECE CN(Cc1ccc(N(C)C)cc1)C(=O)NCc1nn(C)cc1I 1470146254 KPXNYPLRXXFRSK-UHFFFAOYSA-N 427.290 2.432 10 10 IECE O=C(NCCN1Cc2ccccc2OCC1=O)NCc1cccc(Br)c1O 1471321165 BQDZYVCHSCSSFC-UHFFFAOYSA-N 434.290 2.375 10 10 IECE CCc1nnc(N2CCC[C@H](C(=O)OC)C2)n1Cc1ccc(N2CCOCC2)c(F)c1 1499028998 GUFLNYCDWTXRRX-KRWDZBQOSA-N 431.512 2.254 10 10 IECE COC[C@@H]1CN(c2nnc(-c3cccnc3)n2Cc2ccc(N(C)C)c(F)c2)CCO1 1518923203 MRLYDATXXXHONC-SFHVURJKSA-N 426.496 2.445 10 10 IECE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCOCC(F)(F)C(F)(F)F 1556101892 INPAQROEMZRYRV-NSHDSACASA-N 429.338 2.293 10 10 IECE COc1ccc2cc(C(=O)NCc3ccc(N4CCS(=O)(=O)CC4)cc3)cnc2c1 1585894923 XHRHIXBPLVQNKS-UHFFFAOYSA-N 425.510 2.408 10 10 IECE NC(=O)C1CCN(c2ccc(CNC(=O)c3cnc4ccnn4c3C(F)F)cc2)CC1 1598016717 OVZLWOVMYQNMCP-UHFFFAOYSA-N 428.443 2.299 10 10 IECE CCOCc1nnc(N2CCN(CCOC)[C@H](C)C2)n1Cc1ccc(N(C)C)c(F)c1 1616939557 DYIKUEOKJZWJEI-QGZVFWFLSA-N 434.560 2.225 10 10 IECE O=C(CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)N1CC(=O)N(CC2CC2)C1 1639655769 VUUPLTYVJMCKFT-CXUHLZMHSA-N 433.530 2.455 10 10 IECE CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1ccc(=O)n(CCCOC)n1 1639827100 FZAVBJAMIDBEIT-UHFFFAOYSA-N 444.532 2.282 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3C[C@@H](C)OC4(CCCC4)C3)CC2)cc1 1640779605 KXHHPECPOJBCKR-ZBTAVZRMSA-N 427.545 2.460 10 10 IECE CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 1643347454 ZZXGQRZWGYSTDZ-QAPCUYQASA-N 430.509 2.479 10 10 IECE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)c3ccc(OC(C)C)nc3)cc2)CC1 1654961016 VBMQZDUUKWVKHF-UHFFFAOYSA-N 432.546 2.016 10 10 IECE COc1ccc(N2CC[C@@H](NC(=O)NC[C@H](CO)Cc3ccc(OC)c(O)c3)C2)cc1 1674328032 WKRWKDULZBCINL-QZTJIDSGSA-N 429.517 2.139 10 10 IECE CCNC(=O)N1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(N(C)C)cc2C)CC1 1765658619 NWZQPPDKKZQEGN-IBGZPJMESA-N 441.580 2.056 10 10 IECE NS(=O)(=O)c1ccc(CN2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)cc1 1858588739 XGJWSZKCOLZZGE-LZYBPNLTSA-N 434.520 2.464 10 10 IECE COc1cc(C=C2C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)cc(OC)c1OC 2297461693 FOLZXCCARFHXBY-UHFFFAOYSA-N 431.470 2.166 10 10 IECE C[C@H](C(=O)NCC(=O)O)N1C(=O)C(=Cc2ccc(Br)cc2)SC1=S 2314836113 AGFKOQUIDGWKLB-MRVPVSSYSA-N 429.317 2.240 10 10 IECE O=C1NC(=S)S/C1=C\c1cc(Br)ccc1OCC(=O)N1CCOCC1 15056220 QXWCGOKVTNKFIS-JYRVWZFOSA-N 443.344 2.176 10 10 IECE CCc1c(C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)cnn1-c1ccccn1 742919116 DQBSFJPKVIAIMW-UHFFFAOYSA-N 434.544 2.390 10 10 IECE COc1ccc(N2CCN(C[C@H](O)Cn3cnc4c(oc5ccccc54)c3=O)CC2)cc1 758189649 BYUVVRLLBKSHHE-SFHVURJKSA-N 434.496 2.334 10 10 IECE Cc1cc(C)c(CNC(=O)C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c(O)n1 774127755 PDMGSTYBAZCBHY-HZPDHXFCSA-N 444.507 2.089 10 10 IECE CN(CCC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1ccncc1 779499807 PBUWOYCDEHONQS-UHFFFAOYSA-N 449.534 2.480 10 10 IECE C[C@H](CN1CCOCC1)C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 783648776 BXJMALZMSRESOV-YLJYHZDGSA-N 434.581 2.403 10 10 IECE COCCN1CCCN(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1=O 786782021 JKRVNIYOZUKTFX-MRXNPFEDSA-N 440.491 2.147 10 10 IECE C[C@@H](OC(=O)[C@@H]1CCNC(=O)CC1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 815418466 YNKWVMHSAVUODB-KGLIPLIRSA-N 434.448 2.249 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CCOC[C@H]3CC3CCC3)CC2)cc1 819307496 YPSYOOMQCCCUGT-VFCOFNOGSA-N 427.545 2.318 10 10 IECE CN(C)c1ccc2c(c1)OCCN2C(=O)C1(C(=O)OC(C)(C)C)CCS(=O)(=O)CC1 1126439948 FMSLLDONBDBPDH-UHFFFAOYSA-N 438.546 2.015 10 10 IECE CCOCc1nnc(N2CCC[C@H](S(C)(=O)=O)C2)n1CCCSc1nccs1 1297229561 DHFMCYGDDSSXJY-AWEZNQCLSA-N 445.636 2.467 10 10 IECE COc1ccc(N2CC[C@H](CNC(=O)NCCN3Cc4ccccc4OCC3=O)C2)cc1 1312902214 KVQHRFDCKNKDFQ-GOSISDBHSA-N 438.528 2.242 10 10 IECE CCN(Cc1cc(Br)ccc1O)C(=O)NCCCN1CCC[C@H]1C(N)=O 1313007398 DNSIQFGEHDBPPW-HNNXBMFYSA-N 427.343 2.026 10 10 IECE Cc1cc(N(C)C)ccc1Cn1c(-c2ccccn2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1361095536 MCIKUMDXAMSLGR-IBGZPJMESA-N 440.573 2.386 10 10 IECE COc1ccc(N2CC[C@@H](NC(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3OC)C2)cc1 1470774196 XMBHNUIFXRIHPF-ATZDWAIDSA-N 434.537 2.207 10 10 IECE CCNC(=O)OC[C@H]1CCCCN1C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1471369214 HMXCTDJBMACYJH-HXUWFJFHSA-N 445.564 2.199 10 10 IECE CCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1503199622 QVMKPAIDJANSCR-UHFFFAOYSA-N 446.527 2.025 10 10 IECE CCOCc1nnc(N(C)[C@H](C)CC(N)=O)n1Cc1ccc(N2CCSCC2)cc1 1516439619 DTIQQHUAKWXGOL-MRXNPFEDSA-N 432.594 2.116 10 10 IECE COc1ccc(N2CC[C@H](NC(=O)[C@H]3COCCN3C(=O)OCc3ccccc3)C2)cc1 1538746893 MRKZPHUWGCJVCM-SIKLNZKXSA-N 439.512 2.428 10 10 IECE CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCCN(CC(=O)OC(C)(C)C)C2=O)N(C)C)cc1 1539234965 JNDAUVDNPVBRPX-WOJBJXKFSA-N 446.592 2.052 10 10 IECE COc1ccc(N2CCN(CCCNC(=O)c3cc([C@H]4CCCN4C)[nH]n3)CC2)cc1 1540455392 CWZIVMFHTDNYNF-JOCHJYFZSA-N 426.565 2.127 10 10 IECE COCC[C@](C)(O)Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ccccc1O 1555424442 MFDUARJMHQASHY-QFIPXVFZSA-N 443.504 2.135 10 10 IECE C[C@H](NC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)c1ccc(N(C)C)cc1 1556260475 KREBAFKHRDPSLA-YJBOKZPZSA-N 439.578 2.354 10 10 IECE O=C(NCc1ccc(N2CCC(O)CC2)cc1)N1CCOC[C@H]1C[C@H](O)c1ccco1 1565127548 WFCPAZPHQNZSLR-CTNGQTDRSA-N 429.517 2.275 10 10 IECE CN(C)c1ccc([C@@H](CNC(=O)c2nc3ncccn3n2)NC(=O)OC(C)(C)C)cc1 1586619146 DBGOVQFGDUMJDL-MRXNPFEDSA-N 425.493 2.186 10 10 IECE O=C(CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)NCc1cc(=O)c(O)co1 1603064337 PJVHUBBIFAJCMU-APSNUPSMSA-N 434.470 2.392 10 10 IECE Cc1cc(N(C)C)ccc1Cn1c(Cc2ccccn2)nnc1N1CC(=O)N(C)C[C@H]1C 1611963775 ABIXBAZXEKIHGB-GOSISDBHSA-N 433.560 2.354 10 10 IECE Cc1noc(C)c1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccccc1O 1612623240 MNYNSEVBGQEGIC-AWEZNQCLSA-N 448.549 2.078 10 10 IECE CCCCN(Cc1ccccc1O)C(=O)c1[nH]n(-c2nc(C)cc(C)n2)c(=O)c1CCO 1626155956 HTHUZQJHGCLKPG-UHFFFAOYSA-N 439.516 2.255 10 10 IECE CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)C1 1687632551 SQWHBQBEHITUJB-GOSISDBHSA-N 430.549 2.262 10 10 IECE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccccc2O)n1CCOC(C)(C)C 1723907203 AABAKJQIDNTNHG-CQSZACIVSA-N 425.555 2.045 10 10 IECE COC[C@@H](C)Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1730452161 WUBGLFGPTCWREX-SFHVURJKSA-N 439.564 2.434 10 10 IECE CCOC(=O)N[C@@H]1CCCN(c2nnc(CC)n2Cc2ccc(N3CCOCC3)cc2)C1 1767315453 XATPZDNOABVZAG-LJQANCHMSA-N 442.564 2.440 10 10 IECE CNC(=O)C(C)(C)Cn1c(CC2CC2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1767556953 APADURBYUMVIGY-UHFFFAOYSA-N 440.592 2.476 10 10 IECE COCc1nc2sc([C@@H](c3cc(Cl)ccc3O)N(C)CCC(=O)O)c(O)n2n1 1857927745 GVKMEXQWPUXNLE-CQSZACIVSA-N 426.882 2.498 10 10 IECE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc([N+](=O)[O-])c1O 2294130838 KMQAIOHCLXXFQR-UHFFFAOYSA-N 427.369 2.374 10 10 IECE CN(C(=O)CN1C(=O)C(=Cc2ccccc2Cl)SC1=S)[C@H]1CCS(=O)(=O)C1 2296562009 SJJWVMIAGVCTHM-LBPRGKRZSA-N 444.987 2.187 10 10 IECE COc1cc(/C=C2/C(=O)NN=C2c2c(O)c3ccccc3n(C)c2=O)cc(OC)c1OC 100319690 OKIBNQFOCLMGDV-NTEUORMPSA-N 435.436 2.187 10 10 IECE O=C(CNC(=O)NC1CCCCC1)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 768533279 UBSOGYCVMADAOQ-UHFFFAOYSA-N 427.593 2.467 10 10 IECE CN1CCN(c2ccc(CNC[C@@H]3CN(C(=O)c4ccccc4)[C@H]4CCN3C4)cc2)CC1 771869790 ZQIULKAMMDPUHR-LOSJGSFVSA-N 433.600 2.127 10 10 IECE 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COCCO[C@@H](C)c1nnc(N2CCOC[C@@H]2C)n1Cc1ccc(N2CCOCC2)cc1 1698179235 WFRLLCDYEMEYML-OALUTQOASA-N 445.564 2.112 10 10 IECE Cc1noc(C)c1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1O 1726433186 WIAQRBRUCZYVQZ-INIZCTEOSA-N 431.518 2.175 10 10 IECE Cc1cc(N(C)C)ccc1Cn1c(CC2CC2)nnc1N1CCCN(S(C)(=O)=O)CC1 1751432207 AMBDQZIZQPDXBZ-UHFFFAOYSA-N 446.621 2.125 10 10 IECE CN(Cc1ccccc1O)c1nnc(Cc2cccnc2)n1C[C@H]1CCCS(=O)(=O)C1 1767113731 VQQDSYQVEOUOLF-GOSISDBHSA-N 441.557 2.431 10 10 IECE COc1ccc(C=C2SC(=S)N([C@H]3CC(=O)N(CCCCC(=O)O)C3=O)C2=O)cc1 2314832366 FYKTWEUMTVOBQG-AWEZNQCLSA-N 448.522 2.279 10 10 IECE O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCC[C@@H](C(=O)N2CCCC2)C1 732449731 NFDGRJUETPYMRT-GOSISDBHSA-N 432.540 2.331 10 10 IECE Cc1cc(CCNC(=O)C(=O)Nc2cccc(S(N)(=O)=O)c2)c(C)n1-c1ccccc1 737080317 BDHHLBPFMODPOK-UHFFFAOYSA-N 440.525 2.039 10 10 IECE O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1ccc([N+](=O)[O-])cn1 762052511 KXLDCPFMKQUDMY-UHFFFAOYSA-N 437.435 2.176 10 10 IECE CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 764896919 IASGFPGVODFTGA-SESVDKBCSA-N 449.617 2.211 10 10 IECE O=C(NCc1ccc(N2CCN(CC3CC3)CC2)cc1)N1CCC[C@@H](Cn2ccnn2)C1 769034224 LZHOBOTXVCJZTQ-JOCHJYFZSA-N 437.592 2.432 10 10 IECE CC(C)CN1C(=O)/C(=C/NNc2nc(C(F)(F)F)nc3ccccc23)C(=O)NC1=S 814317972 VLGIYTBSRNZORV-YRNVUSSQSA-N 438.435 2.348 10 10 IECE COc1ccc(N2CCCN(C(=O)N[C@@H](C)c3ccc(S(N)(=O)=O)cc3)CC2)cc1 918001386 LJPLUZPKUDJNIT-INIZCTEOSA-N 432.546 2.326 10 10 IECE O=C(CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)N1CCN2C(=O)CC[C@@H]2C1 1151026666 VXHWADCSDIPGHF-YLQKULKDSA-N 433.530 2.250 10 10 IECE Cc1cc(C)n(Cc2nnc(N(C)Cc3ccccc3O)n2C[C@H](C)N2CCOCC2)n1 1290597214 BOKCDBRVZOUXBD-IBGZPJMESA-N 439.564 2.202 10 10 IECE CO[C@](C)(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1O)C1CC1 1299510082 JLQHSNHQNFFQTQ-HRAATJIYSA-N 434.562 2.337 10 10 IECE CC[C@@](C)(O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1305285307 CZQVZPRWDSUTDY-JOCHJYFZSA-N 448.543 2.052 10 10 IECE CN(Cc1ccccc1O)c1nnc(Cc2ccncc2)n1CC(=O)NCC(F)(F)F 1314753604 SGYOHMQTBNPMMA-UHFFFAOYSA-N 434.422 2.284 10 10 IECE COC[C@@H]1CN(c2nnc(-c3cnccn3)n2Cc2ccc(N(C)C)c(F)c2)C[C@@H](C)O1 1315933782 BODQQFVENOOXOC-WBVHZDCISA-N 441.511 2.229 10 10 IECE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@]1(C)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 1444666559 UFKJDXGYGHVSCH-YKSBVNFPSA-N 447.576 2.272 10 10 IECE C[C@@H]1N(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(N(C)C)c(F)c2)CCOC1(C)C 1512580204 QPMLEMCFXBWREX-WMLDXEAASA-N 430.528 2.486 10 10 IECE Cc1cn(C2CCOCC2)nc1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 1526259473 CAINDZVLDYLVQE-GOSISDBHSA-N 425.533 2.175 10 10 IECE COc1ccc(N(C)CCN(C)C(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)cc1 1531374576 FPHPCSCSXYVHGW-UHFFFAOYSA-N 446.573 2.086 10 10 IECE CNS(=O)(=O)c1ccc(CCC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cc1 1603554856 MFDCIUOJHGOEAN-OAQYLSRUSA-N 432.590 2.012 10 10 IECE C[C@]1(CO)C[C@H](O)CN1C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 1629875419 NASWDCCDNZEINC-BNVIOFDNSA-N 426.585 2.074 10 10 IECE COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CCNC(=O)c1n[nH]c2ccccc12 1632701380 CUTBDHVHIYNECY-UHFFFAOYSA-N 444.875 2.244 10 10 IECE COc1ccc([C@]2(C(=O)NCc3ccc(N4CCN(C(C)=O)CC4)cc3)C[C@H](O)C2)cc1 1638587605 PZUAMJLGTGEGGF-RZFKFIIISA-N 437.540 2.073 10 10 IECE Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)N[C@@H](C)c3ccccc3O)CC2)cc1 1648053530 APECFXHATLOTDW-ZWKOTPCHSA-N 431.558 2.273 10 10 IECE C[C@H]1CN(c2ccc(CNC(=O)CN3CCOC[C@@H]3C[C@H]3CCCO3)cc2F)C[C@@H](C)O1 1660399058 NPVTZDAFOCJXNO-IZZBFERCSA-N 449.567 2.325 10 10 IECE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N1CCC2(CC1)C(F)(F)C2(F)F 1683896503 GXHMPSWKZOIGNW-UHFFFAOYSA-N 449.470 2.497 10 10 IECE O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)N[C@H]1CC(=O)N(c2ccccc2)C1 1686101678 HERXJKQZMMBORK-INIZCTEOSA-N 430.455 2.406 10 10 IECE CCN(CC)c1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CC(=O)N(C)C[C@@H]2C)cc1 1746091401 AKBZLCXBXCWALQ-PKOBYXMFSA-N 426.565 2.343 10 10 IECE CN(Cc1ccccc1O)c1nnc([C@H]2CCCOC2)n1C[C@@H]1CCCS(=O)(=O)C1 1747750806 YGGYGQLKOMTOST-WMZOPIPTSA-N 434.562 2.339 10 10 IECE Cc1cc(-c2nnc(N3CC[C@](C)(C(N)=O)C3)n2CC(=O)N(C)C)c(C)n1-c1ccccc1 1751408791 NMQABKJMRPZBFC-DEOSSOPVSA-N 449.559 2.143 10 10 IECE CN(Cc1ccc(N2CCOCC2)cc1)c1nnc([C@H]2CCOC2)n1CCC(C)(C)O 1767080059 BWVGZUZYNLTRIE-IBGZPJMESA-N 429.565 2.416 10 10 IECE Cc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCCO)=C(N)O2 1864010825 XMXJZTHOJAILST-LJQANCHMSA-N 444.532 2.232 10 10 IECE C[C@@H](C(=O)NCC(=O)O)N1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 15047747 AGFKOQUIDGWKLB-OITNDJBGSA-N 429.317 2.240 10 10 IECE COc1ccc(N2CCN(c3ncnc(NCCCn4ccnc4)c3[N+](=O)[O-])CC2)cc1 40611284 WNNHKDLNHTUQGA-UHFFFAOYSA-N 438.492 2.419 10 10 IECE CCOC(=O)c1csc(CCNC(=O)NCc2ccc(N3CCOCC3)c(F)c2)n1 786709380 ILSPVVAMKGLLSX-UHFFFAOYSA-N 436.509 2.337 10 10 IECE COc1ccc(N2CCN(C[C@H](O)CN3CCC[C@@H]3[C@@H]3C[C@H](C)CC[C@H]3O)CC2)cc1 799187481 UJCDYMBUUFIIQX-PYYSLTHKSA-N 431.621 2.440 10 10 IECE CC(=O)C(=O)COC(=O)c1cn(C)nc1[C@H]1CCCN(C(=O)OCc2ccccc2)C1 814593758 MFQOMBCMOZKRMW-KRWDZBQOSA-N 427.457 2.251 10 10 IECE Cc1cc(C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)c(C)n1-c1ccc(Br)cn1 1162948014 FVKDWDFBDBOSAY-OAHLLOKOSA-N 448.365 2.444 10 10 IECE Cc1cc(C(=O)Cn2cc(S(=O)(=O)N(C)C)ccc2=O)c(C)n1-c1ccc(Cl)cn1 1164611233 NGAGZPXPAJFJBY-UHFFFAOYSA-N 448.932 2.437 10 10 IECE COc1ccc(N2CCN(C[C@@H](O)CN3CCOC[C@H]3c3ccc(F)cc3)CC2)cc1 1307772286 BOYGNJQMSHKYCM-VWNXMTODSA-N 429.536 2.391 10 10 IECE COc1ccc(N(CC(=O)NC2CCN(S(C)(=O)=O)CC2)Cc2cccs2)cc1 1459663854 PTMGDWIKVZUAQT-UHFFFAOYSA-N 437.587 2.304 10 10 IECE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1=CC[C@H](NC(=O)OC(C)(C)C)C1 1556101930 KJTCISZNASVZTI-HOTGVXAUSA-N 434.489 2.302 10 10 IECE Cc1ccc(C(=O)N2CCC[C@@H](n3cc(CNC(=O)OC(C)(C)C)nn3)C2)c(O)c1O 1556911387 ZRSXJZZXVGMCSJ-OAHLLOKOSA-N 431.493 2.500 10 10 IECE CCOCc1nnc(N2CCCN(c3ccc(OC)cc3)CC2)n1CCc1n[nH]c(C)n1 1616885377 YPSKZKOELPYPCX-UHFFFAOYSA-N 440.552 2.209 10 10 IECE CCn1cc([C@@H]2C[S@@](=O)CCN2C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cn1 1638917375 HNBMRCMIUMPZTR-IHPVIADISA-N 446.621 2.087 10 10 IECE COC(=O)C1CC2(C1)C[C@H](NC(=O)N1CCN(c3ccc(OC)cc3OC)CC1)CCO2 1676013104 VYNZQTVRGMFSQV-WCCYLALTSA-N 447.532 2.036 10 10 IECE Cn1c2c(ccc1=O)[C@H](NC(=O)NCc1cc(F)c(N3CCOCC3)c(F)c1)CCC2 1681850315 WHCSKIFJAKXAFV-GOSISDBHSA-N 432.471 2.377 10 10 IECE Cc1cccc(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccccc2O)n1 1707613699 VSFOSQFUAGREMN-GOSISDBHSA-N 441.557 2.468 10 10 IECE CN(Cc1ccccc1O)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCCS(=O)(=O)C1 1747750805 YGGYGQLKOMTOST-SJLPKXTDSA-N 434.562 2.339 10 10 IECE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccccn2)n1Cc1ccc(N(C)C)c(F)c1 1751176857 VEDPGYJGYKZCGP-OAHLLOKOSA-N 446.552 2.463 10 10 IECE CC[C@@H](C)c1nnc(N(C)CCNS(C)(=O)=O)n1Cc1ccc(N(C)C)c(F)c1 1752631243 XADOHYRBOFFQBV-CQSZACIVSA-N 426.562 2.030 10 10 IECE COCc1nc(Cn2c(C(=O)NC(C)C)nnc2N(C)Cc2ccccc2O)cs1 1770869225 MXBCWLHZYJXYHW-UHFFFAOYSA-N 430.534 2.410 10 10 IECE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)Cc3coc(C)n3)CC2)cc1 1869019204 IVNCRAPKVBDNGJ-HXUWFJFHSA-N 446.573 2.121 10 10 IECE CCCOc1cn(CCNC(C)=O)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870657123 HGCFMXVOLRHERB-UHFFFAOYSA-N 442.560 2.104 10 10 IECE CCN1CCN(c2ccc(CNS(=O)(=O)c3ccc(CC(=O)OC)cc3)cc2F)CC1 733315530 RGQXMGDQHIKXPJ-UHFFFAOYSA-N 449.548 2.162 10 10 IECE C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 761883481 XBGBLPXCFIDZGT-CYBMUJFWSA-N 443.435 2.214 10 10 IECE O=C(Cn1nnc(-c2ccccc2)n1)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 769165798 UKJZESNQYIIABI-UHFFFAOYSA-N 431.544 2.189 10 10 IECE COc1cc(OC)c(S(=O)(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c(OC)c1 777859981 NTUQYRFXHYNAEB-UHFFFAOYSA-N 436.530 2.370 10 10 IECE CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3CC(=O)N(c4ccc(C)cc4)C3)cc2)CC1 786261858 GSKNDNFPBIVOEM-OAQYLSRUSA-N 434.540 2.333 10 10 IECE Cc1ccc(O)c(CNC(=O)[C@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(C(C)C)cc2)c1 1147961216 ATXCGGGQLGIMSD-UYAOXDASSA-N 432.542 2.264 10 10 IECE O=C(CCCNS(=O)(=O)c1cccc(C(F)(F)F)c1)NCc1cc(O)ccc1O 1176748403 RNYOPLZSQVKKQX-UHFFFAOYSA-N 432.420 2.492 10 10 IECE COc1ccc(N2CCN(C(=O)[C@]3(F)CN(C(=O)OC(C)(C)C)CC34COC4)CC2)cc1 1294755118 BMPOJKSJKGNNLJ-HSZRJFAPSA-N 449.523 2.319 10 10 IECE COC(=O)[C@@H]1CCN(c2nnc(CC(C)C)n2Cc2ccc(N3CCOCC3)c(F)c2)C1 1315098380 LDFOLSYOZVYLGF-GOSISDBHSA-N 445.539 2.500 10 10 IECE CC(C)C[C@H](NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)C(=O)N1CCOCC1 1470612681 GGNXVNJKOODTFD-NQIIRXRSSA-N 432.565 2.157 10 10 IECE CN(C)c1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCC[C@@H](CC(N)=O)C2)cc1F 1552830527 FOIRRGSVOSKJDP-RDJZCZTQSA-N 430.528 2.127 10 10 IECE Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)c1 1565773970 ZADQPUPFUPMOPC-OAQYLSRUSA-N 447.557 2.125 10 10 IECE COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)C1 1638007243 JARLAJBGRFPCAZ-LJQANCHMSA-N 428.455 2.075 10 10 IECE NC(=O)C1CCN(c2ccc(CNC(=O)c3cnn(CCO)c3-c3ccccc3)cc2)CC1 1652068141 KDZDUOMRVYWXRI-UHFFFAOYSA-N 447.539 2.174 10 10 IECE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(C2CC2)n1Cc1ccc(N2CCOCC2)cc1 1691018267 DUMIXJUTBBMVQU-IAGOWNOFSA-N 447.605 2.298 10 10 IECE 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CC(=O)NCCCn1c(-c2ccc[nH]2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1286953643 RZZFVVFDMGHELA-UHFFFAOYSA-N 437.548 2.272 10 10 IECE CCN(Cc1ccc(N(C)C)cc1)C(=O)NC1CN(S(=O)(=O)c2ccc(OC)cc2)C1 1312656894 DTUUDDIHSJILAX-UHFFFAOYSA-N 446.573 2.366 10 10 IECE COC(=O)[C@H](NC[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1)c1cc(C)cc(C)c1 1460209273 CHRFSJQKWXQPBB-ISKFKSNPSA-N 441.572 2.299 10 10 IECE CC[C@H](C)c1nnc(N2CC(=O)N(C)C[C@H]2C)n1Cc1ccc(N2CCOCC2)cc1 1495264425 FSVKLRQUQIIBSH-ZWKOTPCHSA-N 426.565 2.343 10 10 IECE COc1ccc(N(C)CCN(C)C(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)cc1 1530896324 IJWWPZRMACGHAT-UHFFFAOYSA-N 445.585 2.134 10 10 IECE CN(C)c1ccc(CN[C@@H]2CO[C@@H]3[C@@H]2OC[C@H]3n2cc(COc3ccccc3)nn2)cc1 1614388327 BRWFQOMZORLZPP-YCAMKHIRSA-N 435.528 2.420 10 10 IECE NS(=O)(=O)c1nc(C(=O)N(Cc2ccco2)Cc2ccccc2O)n2ccccc12 1635647186 ACGNVURVBMSMNB-UHFFFAOYSA-N 426.454 2.123 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NC[C@@H]3CCO[C@@H](C(C)C)C3)CC2)cc1 1635902385 WUQYLOSDLTYICQ-HZHDMPHOSA-N 429.561 2.467 10 10 IECE 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CC(C)(C)C(=O)N1CCO[C@H](C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)C1 1458015277 DJHTVAQCGBURFQ-QFIPXVFZSA-N 442.604 2.108 10 10 IECE C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)CN[C@H](C)c3ccccc3O)cc2)C[C@@H](C)O1 1460640162 TZUFNPCYJMWWPB-BRWVUGGUSA-N 447.557 2.479 10 10 IECE Cc1nc2ccnn2c(C)c1CCC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1462801562 ANORDPAYWMFLEH-UHFFFAOYSA-N 434.544 2.297 10 10 IECE CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)C1 1471370872 ZEDCOEFZHXACDI-GOSISDBHSA-N 445.564 2.197 10 10 IECE CN(C)c1ccc([C@@H](CNC(=O)N2CCC(CCN3CCOCC3)CC2)N(C)C)cc1 1479532501 DCBPMDGZGQTIHH-HSZRJFAPSA-N 431.625 2.499 10 10 IECE CO[C@H]1CN(c2nnc(C(C)C)n2Cc2ccc(N3CCOCC3)c(F)c2)C[C@H]1OC 1519495429 ALEGEXYGUHGVOH-BGYRXZFFSA-N 433.528 2.276 10 10 IECE COCCS(=O)(=O)c1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cc1 1539235009 JULNZUKMMNLVIA-OAQYLSRUSA-N 433.574 2.205 10 10 IECE CCc1nnc(N2CCC[C@@H](CNS(C)(=O)=O)C2)n1Cc1ccc(N(C)C)cc1C 1546503084 CZMFEEABCVCDRL-KRWDZBQOSA-N 434.610 2.029 10 10 IECE 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CC[C@H](C)c1nnc(N(C)CCN2CCOCC2)n1Cc1ccc(N2CCOCC2)cc1 1694010846 YKTXFWVVDSDCKB-FQEVSTJZSA-N 442.608 2.445 10 10 IECE COc1ccc(N2CCN(c3nnc(C4CC4)n3CCOCCN(C)C)CC2)cc1F 1697471530 FMGYXPUUJJKPCR-UHFFFAOYSA-N 432.544 2.208 10 10 IECE COc1ccc(N2CCN(c3nnc(-c4ccc[nH]4)n3CCC(=O)N(C)C)CC2)cc1F 1730180906 WCJBTUDKPCLAAK-UHFFFAOYSA-N 441.511 2.226 10 10 IECE CC[C@H](C)c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1Cc1ccc(N(C)C)c(F)c1 1743756971 ARNOSCPWNVSODH-KRWDZBQOSA-N 445.587 2.255 10 10 IECE CC[C@@H](C)c1nnc(N2CCNC(=O)CC2)n1Cc1ccc(N2CCOCC2)c(F)c1 1761911031 HKBVEUASNWQRCB-MRXNPFEDSA-N 430.528 2.142 10 10 IECE CCCn1nc(CC)c2c1OC(N)=C(C(=O)NC[C@@H]1CCCO1)[C@@H]2c1ccc(O)c(O)c1 1864020556 DLIWNPBWSYGRJZ-KBXCAEBGSA-N 442.516 2.257 10 10 IECE CCCn1nc(CC)c2c1OC(N)=C(C(=O)NCCCN(C)C)[C@@H]2c1ccc(O)c(O)c1 1864020736 GFXZLJLEEVLCEA-GOSISDBHSA-N 443.548 2.029 10 10 IECE Cc1nn(-c2ccccc2)c(O)c1C=C1C(=O)NC(=S)N(c2cccc(C(=O)O)c2)C1=O 2294229262 CDFPGMNUHUVMRY-UHFFFAOYSA-N 448.460 2.416 10 10 IECE COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)Nc1ccc(S(N)(=O)=O)cc1 2294474396 OUAQROXQXWFKTR-UHFFFAOYSA-N 446.460 2.125 10 10 IECE CCOC(=O)N1CCN(C(=O)CN2C(=O)/C(=C/c3cccs3)SC2=S)CC1 35640391 AOZLEDOPMFIJAS-RAXLEYEMSA-N 425.557 2.250 10 10 IECE CN(C)CCN1[C@@]2(CCN(Cc3ccc(N(C)C)cc3)C2)c2ccccc2S1(=O)=O 96143088 STWXLYILKKVOPB-HSZRJFAPSA-N 428.602 2.420 10 10 IECE CCOCCOc1ccccc1C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 748229533 RHVGLAHIJLLAAY-UHFFFAOYSA-N 432.542 2.267 10 10 IECE CO[C@@H]1CC[C@@H]2OCCN(CC(=O)NCc3ccc(N4C[C@H](C)O[C@H](C)C4)c(F)c3)[C@@H]2C1 755055202 XGNOJCJURWXGSH-JRYVQNIKSA-N 449.567 2.324 10 10 IECE O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCOC[C@@H]1C[C@@H](O)c1ccco1 756681252 LBZIEUPJCCWHCW-LAUBAEHRSA-N 447.507 2.414 10 10 IECE C[C@@H](NC(=O)C(=O)NCc1cnn(Cc2ccccc2)c1)c1ccc(N2CCOCC2)cc1 788826869 HIJLPRPMWWEJKX-LJQANCHMSA-N 447.539 2.262 10 10 IECE Cn1cccc1[C@H]1CCCCN1C(=O)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 789836037 RSKIKAUPITUKSE-JOCHJYFZSA-N 442.535 2.495 10 10 IECE CCOc1cc(O)ccc1NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 790409583 RAVOAIKJIJQAHA-UHFFFAOYSA-N 426.516 2.376 10 10 IECE COCCOCC(=O)NC1CCC(C(=O)NCc2cc(Br)ccc2O)CC1 804738531 UAAPEOMSZBQRBV-UHFFFAOYSA-N 443.338 2.109 10 10 IECE COc1ccc(N2CCN(CCNC(=O)CCCn3c(C)cc(=O)cc3C)CC2)cc1 810394583 DKWXZTCWYODJQA-UHFFFAOYSA-N 426.561 2.192 10 10 IECE CC(C)(C)OC(=O)[C@@]1(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1(C)C 1130980827 VGXCMYMLQQHYCS-QFIPXVFZSA-N 436.574 2.296 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N[C@@H]3Cc4ccccc4[C@@H]3OC)CC2)cc1 1142364879 ZYRLVXRSFLFVHZ-WQDFVUBPSA-N 435.524 2.329 10 10 IECE C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CN1CCN(S(C)(=O)=O)CC1 1152393953 DCAJSWJYHVKOMM-SFHVURJKSA-N 431.558 2.059 10 10 IECE CN(C)CCSc1nc(CC(=O)NCc2ccc(N3CCN(C)CC3)cc2)cs1 1153443965 UIAMJVXUGVBFTL-UHFFFAOYSA-N 433.647 2.408 10 10 IECE COCCn1cc(N2C[C@@H](C(=O)NCc3ccc(N4CCCCC4)cc3)CC2=O)cn1 1162800591 JNYPNTCXASIUIG-IBGZPJMESA-N 425.533 2.189 10 10 IECE COc1ccc(N2CC[C@H](CNC(=O)NCc3cnc(N4CCOCC4)c(F)c3)C2)cc1 1225855513 VVMDMFPAPGEKLM-QGZVFWFLSA-N 443.523 2.392 10 10 IECE O=C(CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)N1CCOCCN1 1298467219 SNPFDPFZXPJTLG-LCYFTJDESA-N 442.360 2.014 10 10 IECE CC(C)(C)NS(=O)(=O)C1([C@@H](O)CN(Cc2ccccc2O)C[C@@H]2CCCO2)CCC1 1307567500 RDOUTSYIIPURLI-ICSRJNTNSA-N 440.606 2.375 10 10 IECE CCN(CC)c1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H]2CCOC2)cc1 1313681527 UQALQJWRGBMELD-ICSRJNTNSA-N 447.605 2.300 10 10 IECE COc1ccc(N2CCCN(c3nnc(C(=O)NC(C)C)n3C[C@H](C)OC)CC2)cc1 1315515659 PYFRMXQLUSOMBX-KRWDZBQOSA-N 430.553 2.177 10 10 IECE Cc1cc(N(C)C)ccc1Cn1c([C@H]2CCCOC2)nnc1N1CC(=O)N(C)[C@H](C)C1 1361097588 DQERCRHBVYRBTD-MJGOQNOKSA-N 426.565 2.262 10 10 IECE CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 1469958869 IAJNVGDIJJTFDK-FDQGKXFDSA-N 429.970 2.188 10 10 IECE CCN(CC)c1ccc(Cn2c(CC3CC3)nnc2N2CCO[C@@H](C(=O)NC)C2)cc1 1501844001 FFSVXBNRSXDCJQ-HXUWFJFHSA-N 426.565 2.076 10 10 IECE CCN1CCN(c2ccc(CNC(=O)c3ccc(S(=O)(=O)CC)cc3N)cc2F)CC1 1543070206 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429.542 2.055 10 10 IECE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1ccc(O)c([N+](=O)[O-])c1 2236169015 VDDPJXAARBDDED-UHFFFAOYSA-N 433.442 2.365 10 10 IECE C[C@@H](Oc1ccc(C=C2SC(=S)N([C@H](CCC(=O)O)C(=O)O)C2=O)cc1)C(=O)O 2314928278 SJQZWJSGFDPDJJ-BXKDBHETSA-N 439.467 2.058 10 10 IECE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN(c4cc(-n5cccn5)ncn4)C3)CC2)cc1 70885263 PITABUPVSVOSTH-LJQANCHMSA-N 447.543 2.236 10 10 IECE NC(=O)[C@H]1CCC[C@@H](NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)C1 738969571 GSENABHNEZYJIZ-DZGCQCFKSA-N 428.455 2.385 10 10 IECE COc1ccc(N2CCN(C(=O)C[S@](=O)Cc3nc(C4CCCC4)no3)CC2)cc1 751579032 ZSEAVVXLDMLKBH-SSEXGKCCSA-N 432.546 2.333 10 10 IECE COC(=O)c1ccccc1S(=O)(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 768574986 DNPFVORZDGTHBI-UHFFFAOYSA-N 443.569 2.484 10 10 IECE COc1ccc(Cl)cc1CNC(=O)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 793563246 ZQTZGNITDULSAB-UHFFFAOYSA-N 431.920 2.460 10 10 IECE C[C@@H](NC(=O)C(=O)NCc1ccn(C2CCCC2)n1)c1ccc(N2CCOCC2)cc1 803301245 NYKYQENQORADBP-QGZVFWFLSA-N 425.533 2.328 10 10 IECE COc1ccc(N2CC[C@@H](NC(=O)[C@@H](C)c3ccc(S(=O)(=O)N(C)C)cc3)C2)cc1 1131029728 FEBSVDPJAIFPJN-FUHWJXTLSA-N 431.558 2.444 10 10 IECE CN1CCN(c2ccc(CNC(=O)[C@H]3CCCN(C(=O)NC4CCCC4)C3)cc2)CC1 1153443740 PBBHQLCCFKGUCI-FQEVSTJZSA-N 427.593 2.419 10 10 IECE O=C(CCC(=O)Nc1nnc(C2CC2)o1)NCc1cc(F)c(N2CCOCC2)c(F)c1 1161175393 UHUYEHSHYRHJEJ-UHFFFAOYSA-N 435.431 2.097 10 10 IECE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N1CCC[C@@H](C[C@H]2CCOC2)C1 1230799400 PNTITUUPLXYIOH-VQTJNVASSA-N 435.590 2.270 10 10 IECE NC(=O)C1CCN(c2ccc(CNC(=O)N3CCN(CCc4ccccc4)CC3)cc2)CC1 1313304795 LDHMMZPRLQXDJK-UHFFFAOYSA-N 449.599 2.458 10 10 IECE CC[S@](=O)CCn1c([C@@H]2CCOC2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1314581110 WCFCCFUFLUGXIC-OKXSDPAFSA-N 447.605 2.276 10 10 IECE COc1ccc(N2CCN(C(=O)N[C@H]3CC(=O)N(c4ccccc4F)C3)CC2)c(OC)c1 1478717751 FEAAFWJAUWGARW-INIZCTEOSA-N 442.491 2.480 10 10 IECE COc1ccc(N2CC[C@H](NC(=O)NCc3cccc(N(C)S(C)(=O)=O)c3)C2)cc1 1478956671 IJNRNUQBEAFUJA-KRWDZBQOSA-N 432.546 2.169 10 10 IECE CN(CC(=O)N1CCCC1)C(=O)CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S 1530308743 PWTYBWQSYVZDLY-FOWTUZBSSA-N 435.546 2.498 10 10 IECE CC(C)(C)OC(=O)CN(CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)CC1CC1 1559971004 UQONMKBSSYWFEK-UHFFFAOYSA-N 435.540 2.332 10 10 IECE O=C(CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)NCCc1nnc(S)o1 1567852918 NJRHGMJNSLDYQV-XFXZXTDPSA-N 438.531 2.448 10 10 IECE COc1ccc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1S(C)(=O)=O 1586864407 GPOGPMUJOSYDME-UHFFFAOYSA-N 436.505 2.129 10 10 IECE COc1ccc(N2CCN(CCNC(=O)c3cc(C=O)c(OC)cc3OC)CC2)cc1 1627050821 XCCKHKPTUVGMOQ-UHFFFAOYSA-N 427.501 2.077 10 10 IECE Cc1ccc(C)c(S(=O)(=O)NCC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c1 1637004607 IGJOGKRMGIYFQO-HXUWFJFHSA-N 432.590 2.067 10 10 IECE NC(=O)C1CCN(c2ccc(CNC(=O)c3ccncc3NC(=O)C(F)(F)F)cc2)CC1 1638489146 SDDNCQDCJMMBNN-UHFFFAOYSA-N 449.433 2.214 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3C[C@@H](C)OC4(CCCC4)C3)CC2)cc1 1640779602 KXHHPECPOJBCKR-JBVUFVISSA-N 427.545 2.460 10 10 IECE Cc1cc(N(C)C)ccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(F)(F)C1 1693004208 OGRLNBSGHVVCLM-AWEZNQCLSA-N 442.536 2.156 10 10 IECE CCOC1CC(O)(Cn2c(CC)nnc2N2CCCN(c3ccc(OC)cc3)CC2)C1 1710603822 JRQMNWXAABQULC-UHFFFAOYSA-N 429.565 2.496 10 10 IECE CNC(=O)CCN(C)c1nnc(CC(C)(C)C)n1Cc1ccc(N2CCOCC2)c(F)c1 1748262447 JVLVCIUBUBIIAJ-UHFFFAOYSA-N 446.571 2.463 10 10 IECE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H]3CCCO3)CC2)cc1 1862049780 SHLNRRVZTDSGKO-DHIUTWEWSA-N 437.540 2.250 10 10 IECE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)c3cccc(OC(C)=O)c3)CC2)cc1 1862118629 YIFLYHZXNFCIQR-INIZCTEOSA-N 425.485 2.088 10 10 IECE NC(=O)Cn1cc(C=C2C(=O)NC(=O)N(Cc3ccccc3Cl)C2=O)c2ccccc21 2297576579 OWASYIVAGSURQJ-UHFFFAOYSA-N 436.855 2.442 10 10 IECE O=C(CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)NCCCSc1nccs1 733973853 CLFLRCQASQQWAJ-QGZVFWFLSA-N 430.555 2.217 10 10 IECE COc1cc(N2CCN(CC(=O)N3CCO[C@H]4CCCC[C@@H]43)CC2)cc(OC)c1OC 759880230 ZYHHZUQOGRIIJI-OALUTQOASA-N 433.549 2.004 10 10 IECE COc1cc(NC(=O)C2CC2)ccc1S(=O)(=O)Nc1ccc(NS(C)(=O)=O)cc1 761273288 PKZPHKYWNILXIG-UHFFFAOYSA-N 439.515 2.216 10 10 IECE Cc1cc(C(=O)NS(=O)(=O)c2cnnn2C)c(C)n1-c1cccc(Br)c1 781738964 WWCVYPYXQGHCRB-UHFFFAOYSA-N 438.307 2.104 10 10 IECE CC(=O)N1CCN(c2ccc(CNC(=O)C3CCN(C(=O)c4ccoc4)CC3)cc2)CC1 786263179 UCGPRBTXNJKFNY-UHFFFAOYSA-N 438.528 2.117 10 10 IECE COC(=O)[C@](C)(NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(F)cc1 812879489 NWQOPUUVTDFHBB-HSZRJFAPSA-N 447.482 2.096 10 10 IECE CN1CCN(C(=O)c2cnn3c2C[C@H](CNCc2cc(Cl)c(F)cc2O)CC3)CC1 816591669 KWGLHPATMILVRX-CQSZACIVSA-N 435.931 2.121 10 10 IECE CS(=O)(=O)[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2CCCSc2nccs2)C1 1302448879 IUFQXSABTOEPFV-ZIAGYGMSSA-N 443.620 2.392 10 10 IECE COc1ccc(N2CC[C@@H](CNC(=O)NCc3cccc(N(C)S(C)(=O)=O)c3)C2)cc1 1478859873 JWCDWDKZHTYJGQ-SFHVURJKSA-N 446.573 2.417 10 10 IECE Cc1nnc(N2CCN(c3ncccc3C(N)=O)CC2)n1CCCSc1nccs1 1511886750 LAMQDBXDMNQSKN-UHFFFAOYSA-N 444.590 2.046 10 10 IECE Cn1ncc(CCCNC(=O)CCN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)n1 1526935260 LFEZFGHSFOLVGO-LFIBNONCSA-N 433.534 2.295 10 10 IECE Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N(C)Cc2ccc(N3CCCC3)cc2)[C@@H](C)O)cc1 1540486789 BEAOAPMKFQFCSD-XMSQKQJNSA-N 445.585 2.282 10 10 IECE COc1ccc(N2CC[C@H](CNC(=O)CCNS(=O)(=O)c3ccccc3F)C2)cc1 1627154910 YKADXURFMXCRDO-MRXNPFEDSA-N 435.521 2.145 10 10 IECE CS(=O)(=O)c1ccc(Oc2ccc(NC(=O)C3=S=c4c(cc[nH]c4=O)=C3)cc2)cc1 1632051064 UHCMUEOMEPDJOR-UHFFFAOYSA-N 440.502 2.160 10 10 IECE O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N1CC[C@@H](Cn2ccnn2)C1 1640279278 VSBNNVLBZSZDGJ-CYBMUJFWSA-N 433.515 2.008 10 10 IECE CN(C)c1ccc([C@H](CNC(=O)CC[S@@](=O)c2ccc3c(c2)OCCO3)N(C)C)cc1 1648477866 HLMWAODLLOLJLU-PKHCJMHPSA-N 445.585 2.441 10 10 IECE CN(C)c1ccc([C@H](CNC(=O)N2CCC[C@H](c3nnc(S)n3C)C2)N(C)C)cc1 1676653720 VYIAXYQTTMGAGM-WMZOPIPTSA-N 431.610 2.362 10 10 IECE CN(C)c1ccc([C@@H](CNC(=O)NC2CCN(CC(=O)OC(C)(C)C)CC2)N(C)C)cc1 1684755188 STCBSNQJBFEAJQ-OAQYLSRUSA-N 447.624 2.461 10 10 IECE CN(C)c1ccc(Cn2c(C3CCC3)nnc2N2CCC(OCC(N)=O)CC2)cc1F 1747572283 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438.528 2.418 10 10 IECE O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)NCc1cc(Br)ccc1O 804739194 VAUGETAVBMUSCW-HXUWFJFHSA-N 444.285 2.164 10 10 IECE C[C@H]1C[C@H](N2CCOCC2)CN1C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 807062050 CLXPNTQRTXXXLH-RDPSFJRHSA-N 441.620 2.223 10 10 IECE COC(=O)c1cn([C@@H]2COC[C@H]2OC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)nn1 811179345 CIVXNEGWSJGDIJ-RTBURBONSA-N 428.420 2.408 10 10 IECE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 1129814283 DPPFUKGWUJPSMF-INIZCTEOSA-N 435.546 2.036 10 10 IECE C[C@H](C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)n1cnc2c(N)ncnc21 1136546559 MQYCIYOUNJNZMK-GFCCVEGCSA-N 431.447 2.356 10 10 IECE Cn1cncc1[C@@H](CO)NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 1149213385 RAWPCWYSIMYIGQ-ATDKOCKZSA-N 436.584 2.313 10 10 IECE Cc1cc(N(C)C)ccc1Cn1c(CC(C)C)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1289424507 WPEIUMINPFKMND-HXUWFJFHSA-N 425.581 2.455 10 10 IECE COC(=O)c1ccc2c(c1)[C@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1O)CCC2 1300527631 AJXOEZQHEOLFDX-HNNXBMFYSA-N 432.498 2.400 10 10 IECE C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCSc2nccs2)CCO1 1305193019 QKGKXNLUGNDOFN-ZIAGYGMSSA-N 443.620 2.044 10 10 IECE CNC(=O)[C@H]1CCCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(N(C)C)cc2C)C1 1314991528 OKFCCDSNJLOBNL-OALUTQOASA-N 426.565 2.167 10 10 IECE COc1ccc(N2CCN(CCCNC(=O)c3sccc3-n3ccnn3)CC2)cc1 1349005924 RYEOWYYYHPJGQX-UHFFFAOYSA-N 426.546 2.280 10 10 IECE CNC(=O)COc1cccc(CNC(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)c1 1478597003 VMCPAQGXMLGZKS-GOSISDBHSA-N 426.517 2.146 10 10 IECE COc1ccc(N2CCCN(c3nnc([C@H]4CCOC4)n3CCCNC(C)=O)CC2)cc1 1554960075 YFMZEGPPXODLHJ-IBGZPJMESA-N 442.564 2.034 10 10 IECE CN(C)c1ccc(Cn2c(C(=O)N3CCCC3)nnc2N(C)CCn2cccn2)cc1F 1617662986 OGNKNDZIFDCQGD-UHFFFAOYSA-N 440.527 2.100 10 10 IECE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(N(C)C)cc2C)CCO1 1618688535 BRDGUVNPJQDQKB-HXUWFJFHSA-N 438.532 2.220 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C/C(=O)Nc3cc([C@H]4CCCO4)[nH]n3)CC2)cc1 1631149285 MXSUSWKDNVBUKK-CSHXORCISA-N 425.489 2.113 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CC[C@@H](Cc4nccs4)C3)CC2)cc1 1637205775 KXKUHIBJCXIJTI-DKFQHHCZSA-N 440.569 2.448 10 10 IECE COC(=O)[C@]1(C(=O)NCc2ccc(N3CCN(C(C)=O)CC3)cc2)C[C@@H]1c1ccccc1 1638586972 GAMZBPMOXSBGLI-RCZVLFRGSA-N 435.524 2.318 10 10 IECE CN(CC(C)(C)CN1CCOCC1)C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 1686725287 JOXDJJOSLYQXLC-UHFFFAOYSA-N 440.535 2.301 10 10 IECE Cc1cc(-c2nnc(N3CCOCC3)n2CCS(C)(=O)=O)c(C)n1-c1ccccc1 1742118479 GNKRLRBMSMDUHB-UHFFFAOYSA-N 429.546 2.234 10 10 IECE CC[C@@H](C)c1nnc(N2CCN(C)C(=O)[C@H]2C)n1Cc1ccc(N2CCOCC2)cc1 1743743304 CIZIDLFVKXPCCV-QZTJIDSGSA-N 426.565 2.343 10 10 IECE CCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccn1)=C(N)O2 1864018497 MCERKYZAKJADEB-SFHVURJKSA-N 435.484 2.283 10 10 IECE O=C1C(=Cc2ccc3c(c2)OCO3)SC(=S)N1CC(=O)N1CCCC[C@@H]1CCO 2296562456 ULHXNWFFCUIXCH-CQSZACIVSA-N 434.539 2.380 10 10 IECE O=C(O)COc1cccc(/C=C2\SC(=S)N(NC(=O)c3ccc(O)cc3)C2=O)c1 16929822 SBBAUKFIPSSGJU-DHDCSXOGSA-N 430.463 2.402 10 10 IECE Nc1ccc(N(CC(=O)Nc2cc(Cl)cc(Cl)c2)[C@H]2CS(=O)(=O)C[C@H]2O)cc1 583927433 CMRHQYIIWOKFQP-DLBZAZTESA-N 444.340 2.179 10 10 IECE C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)COc3ccc(O)cc3)cc2F)C[C@@H](C)O1 733829762 IHQFMXISRYNVJO-HZPDHXFCSA-N 446.475 2.383 10 10 IECE COc1ccc(N2CCN(C[C@H](O)CN3CCCC[C@@H]3C(=O)OC(C)(C)C)CC2)cc1 754075014 LXFXSTTWBHAEGI-RBBKRZOGSA-N 433.593 2.374 10 10 IECE COc1ccc(N2CCN(C[C@H](O)CN[C@H](C)c3ccc(-n4ccnn4)cc3)CC2)cc1 754168021 RKOMWEDRCSPZHL-AUSIDOKSSA-N 436.560 2.110 10 10 IECE C[C@H](NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(S(C)(=O)=O)cc1 774826917 KQGHXXDDIROEJH-INIZCTEOSA-N 449.548 2.033 10 10 IECE CC(C)(C)OC(=O)N1CCC[C@H](/C=C/C(=O)N2CCc3ccc(S(N)(=O)=O)cc32)C1 1136756524 ISGVHEDJJOZEHF-RZIFZGNASA-N 435.546 2.426 10 10 IECE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)Cc3cc(C)cc(C)c3)CC2)cc1 1278549415 VLQLUMQUBZHQOQ-UHFFFAOYSA-N 445.585 2.123 10 10 IECE CCO[C@@]1(c2nnc(N(C)Cc3ccccc3O)n2CCn2ccnc2C)CCOC1 1296544509 AYUXIKPUHCLMIR-QFIPXVFZSA-N 426.521 2.477 10 10 IECE COc1ccccc1C[C@@](C)(CO)NC(=O)NCc1ccc(N2CCC(O)CC2)cc1 1313065498 SBRBOYDMJSTSHY-DEOSSOPVSA-N 427.545 2.449 10 10 IECE CN(Cc1ccc(N2CCCC2)cc1)C(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O 1349106467 KNQNCJYIZROOEO-UHFFFAOYSA-N 432.524 2.317 10 10 IECE CSCC[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NCc1ccc(O)cc1O 1451770821 RVJABUBWZQQYSK-KSEUIEODSA-N 436.555 2.426 10 10 IECE O=C(N[C@H]1CCOC12CCOCC2)c1cc(NS(=O)(=O)c2cccs2)ccc1O 1456952472 DNCSLOKKIYGCHD-INIZCTEOSA-N 438.527 2.322 10 10 IECE CN1CCCc2cc(Cn3c(-c4ccccn4)nnc3N(C)CCS(C)(=O)=O)ccc21 1503682612 REMGHLXXQDPHSU-UHFFFAOYSA-N 440.573 2.252 10 10 IECE COCCCS(=O)(=O)N1CCN(C(=O)c2cccc(-n3c(C)cc(C=O)c3C)c2)CC1 1545601810 PBPYRCZOGNROSI-UHFFFAOYSA-N 447.557 2.031 10 10 IECE COc1ccc(N2CC[C@H](NC(=O)N3CCCC[C@@H]3COC(=O)N[C@H]3CCOC3)C2)cc1 1565056800 ZOORNGDTILRCGI-CMKODMSKSA-N 446.548 2.353 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CCN[C@@H](c4ccccc4)C3)CC2)cc1 1570350481 IRLCIWRHWDAPOM-GBJNBNQZSA-N 434.540 2.073 10 10 IECE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)C3CC(C(C)(C)C)C3)CC2)cc1 1586837337 XMQJZNCKLUAAFH-UHFFFAOYSA-N 437.606 2.336 10 10 IECE CCOc1ccc(S(=O)(=O)NCC(=O)NC[C@@H]2CCN(c3ccc(OC)cc3)C2)cc1 1611461294 RLEKNJJWQNSNKE-KRWDZBQOSA-N 447.557 2.015 10 10 IECE CCN(CC)c1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCS(=O)(=O)CC2)cc1 1615381600 ZUAXKSATZJPANL-LJQANCHMSA-N 447.605 2.301 10 10 IECE COC1CCN(c2ccc(CN3CCN(S(=O)(=O)CCOC(C)C)CC3)cc2)CC1 1615744649 VEVKUWSWXQBFPH-UHFFFAOYSA-N 439.622 2.174 10 10 IECE O=C(CNC(=O)c1ccc(F)cc1F)NCc1cc(F)c(N2CCOCC2)c(F)c1 1626058717 DQJIPIBZTMYWGE-UHFFFAOYSA-N 425.382 2.126 10 10 IECE COc1ccc(N2CC[C@@H](NC(=O)N(O)CCCN3C(=O)c4ccccc4C3=O)C2)cc1 1636853938 OFIXHJBRBMOSOK-MRXNPFEDSA-N 438.484 2.361 10 10 IECE CC[C@@H](C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N(C)C(=O)OC(C)(C)C 1645139714 NSMAKIDOFIZSIE-SFHVURJKSA-N 439.578 2.183 10 10 IECE C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1652068521 QFNZKPPMRPFMIX-OAHLLOKOSA-N 442.947 2.476 10 10 IECE NC(=O)C1CCN(c2ccc(CNC(=O)NC[C@@]3(CO)CCc4ccccc43)cc2)CC1 1684174991 IYEMAMGLKTWYPN-RUZDIDTESA-N 436.556 2.064 10 10 IECE CN1CCN(CC2(C)CCN(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N(C)C)CC2)CC1 1687807696 VUWHBVCRXSIBPK-QHCPKHFHSA-N 444.668 2.414 10 10 IECE CCCNC(=O)[C@H]1CCCN(c2nnc(C)n2Cc2ccc(N3CCOCC3)c(F)c2)C1 1695408730 IZCXUJGWXNLQRB-IBGZPJMESA-N 444.555 2.353 10 10 IECE CCc1nnc(N2CCN(c3ccc(OC)c(F)c3)CC2)n1C[C@@H]1CCOC[C@H]1OC 1709139312 MITLKAWAXJZEKJ-OXJNMPFZSA-N 433.528 2.366 10 10 IECE Cc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOc3ccccc31)=C(N)O2 1865027296 GCUZHUIDDMLFBK-IBGZPJMESA-N 434.452 2.260 10 10 IECE COc1ccc(O)c(CNC(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)c1 734018619 XLMWGMDGSCLMDG-UHFFFAOYSA-N 433.258 2.466 10 10 IECE COc1ccc(N2CCN(CCCNS(=O)(=O)Cc3cccc(OC)c3)CC2)cc1 735496454 WJDPEXUVCYJOTN-UHFFFAOYSA-N 433.574 2.336 10 10 IECE O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@@H]1CCCN(c2cccnc2)C1=O 753111956 DSDSVKWDYXQPBN-JOCHJYFZSA-N 437.544 2.285 10 10 IECE C[C@H]1CN(c2ccc(CNC(=O)COC(=O)[C@@H]3CCCc4n[nH]cc43)cc2F)C[C@@H](C)O1 758138599 RGUVZGGJTZGVJL-HLLBOEOZSA-N 444.507 2.442 10 10 IECE COC(=O)c1nc2nc(C)cc(NCc3ccc(N4CCN(CC5CC5)CC4)cc3)n2n1 768528794 YALWCOKIAOEWDC-UHFFFAOYSA-N 435.532 2.363 10 10 IECE Cc1cc(C)c(CNC(=O)C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c(O)n1 774126598 JXVMJVSVOKUASZ-UHFFFAOYSA-N 448.470 2.407 10 10 IECE C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 780584046 XSIDMUKOXUASMG-HXUWFJFHSA-N 443.636 2.205 10 10 IECE Cn1c(=O)ccc2ccc(NC(=O)C(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)cc21 787454798 KAPSLJBRNRHRRH-LJQANCHMSA-N 435.480 2.390 10 10 IECE O=C(COC(=O)c1cccc2ccc(O)nc12)NCc1ccc(N2CCOCC2)c(F)c1 808633613 HPGQXCBQFOAZIH-UHFFFAOYSA-N 439.443 2.389 10 10 IECE COc1ccc(N2CCN(C(=O)[C@H]3CCCN(C(=O)N4CCCC4)C3)CC2)c(OC)c1 1287478005 KWGCNAJBSFOBJI-SFHVURJKSA-N 430.549 2.280 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N(OC)[C@@H](C)C(=O)OC(C)(C)C)CC2)cc1 1302621460 CKSKNMAWPRVWRU-CPFIRTDXSA-N 447.532 2.020 10 10 IECE CCn1ncc(Br)c1C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1439331444 RDVFMXZVWOADSX-UHFFFAOYSA-N 434.338 2.297 10 10 IECE O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1cc(Br)cn2ncnc12 1454003452 IXRMECCLSFMRHL-UHFFFAOYSA-N 430.306 2.383 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CCCC[C@@H]3[C@H](C)CN(C)C)CC2)cc1 1454131480 VIHICWMHBWYOPG-DQOLDBKZSA-N 442.604 2.479 10 10 IECE CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCCCN2CCC[C@H]2C(N)=O)cc1 1470797237 XJLRDFYZSPRYAA-NRFANRHFSA-N 427.549 2.397 10 10 IECE C[C@H]1CN(c2ccc(CNC(=O)[C@H](C)n3cnc4c(N)ncnc43)cc2F)C[C@@H](C)O1 1544675849 BPOJCEHPNHEXCG-MJBXVCDLSA-N 427.484 2.039 10 10 IECE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@]1(C)CCCN1C(=O)OC(C)(C)C 1556101824 FYPFNPQVWXFERY-NYHFZMIOSA-N 436.505 2.478 10 10 IECE CCOC(=O)[C@@H]1c2ccoc2CCN1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 1559998813 NOWLRBSUTYZLKN-QFIPXVFZSA-N 445.491 2.034 10 10 IECE Cc1cc(CCNC(=O)N2CCN(S(=O)(=O)C3CC3)CC2)c(C)n1-c1ccccc1 1565162047 KOOPKVOJMZDLSL-UHFFFAOYSA-N 430.574 2.456 10 10 IECE C[C@@H]1CCCN(c2ccc(CNC(=O)c3nc(N)nc(N4CCOCC4)n3)cc2Cl)C1 1568141628 ALNBEJQJSODCQD-CQSZACIVSA-N 445.955 2.110 10 10 IECE CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1 1623386557 GRVKWCUOTYVSIZ-UHFFFAOYSA-N 431.558 2.170 10 10 IECE CCOc1ccc(N2CCN(C(=O)c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)cc1 1623429648 KNFWJYWFWICAIR-UHFFFAOYSA-N 433.486 2.359 10 10 IECE Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)c1 1623951993 WXPFZQXYURYMEI-DENIHFKCSA-N 430.526 2.373 10 10 IECE CCN(CC)c1ccc(CNC(=O)[C@H]2OCC(=O)N(CC)[C@@H]2c2ccnn2C)cc1F 1627604818 SWIXNNZLFPOWHY-RTWAWAEBSA-N 431.512 2.010 10 10 IECE CC(=O)N1CCN(C(=O)CCNC(=O)c2ccc(C)c(-n3c(C)cc(C=O)c3C)c2)CC1 1632931174 OHZLMWBNZZUADK-UHFFFAOYSA-N 438.528 2.026 10 10 IECE COc1ccc(N2CC[C@@H](NC(=O)COc3cc([N+](=O)[O-])c(C=O)cc3OC)C2)cc1 1640264636 DEKCSESHVRFLTG-OAHLLOKOSA-N 429.429 2.198 10 10 IECE COc1nc(C)cc(C)c1CN(C)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 1643964550 YDWXHPBRBVLURM-UHFFFAOYSA-N 430.524 2.431 10 10 IECE 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COc1ccc(N2CCN(C[C@@H](O)CN3CCc4nc(C(C)C)ncc4C3)CC2)cc1 1643919798 LLRWNLTWHIYATN-OAQYLSRUSA-N 425.577 2.150 10 10 IECE CN(C)C(=O)OCCNC(=O)CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S 1644630405 NSFHIKVWVYFCCQ-SDNWHVSQSA-N 425.507 2.231 10 10 IECE O=C(NCc1c(O)cccc1F)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 1646028201 BPIFVQSEGOBPHQ-ZDUSSCGKSA-N 437.449 2.157 10 10 IECE CN(C)c1ccc([C@@H](CNC(=O)c2ccc(F)c(S(=O)(=O)NC3CC3)c2)N(C)C)cc1 1647080029 BQQHZGPDZAONCF-HXUWFJFHSA-N 448.564 2.365 10 10 IECE CNC(=O)CCCN(C)c1nnc([C@H]2CCCOC2)n1Cc1ccc(N(C)C)c(F)c1 1649677619 GUUIFOKVSFRBFQ-KRWDZBQOSA-N 432.544 2.388 10 10 IECE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N1CCO[C@@H](c2ccccc2F)C1 1674271722 OIKPKNAEGIAGHF-OAQYLSRUSA-N 447.532 2.344 10 10 IECE CN1CCN(c2ccc(CNC(=O)NC[C@@H](CO)Cc3ccc(F)c(F)c3)cc2)CC1 1684973080 FQQYVKHKPOOKGG-IBGZPJMESA-N 432.515 2.367 10 10 IECE CCc1noc(C[C@]2(O)CCCN(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N(C)C)C2)n1 1685686200 JBODPCRQCMTDJZ-WMZHIEFXSA-N 444.580 2.080 10 10 IECE CN(Cc1ccccc1O)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCCCS1(=O)=O 1696700822 QMKMUSGYADSYQL-QZTJIDSGSA-N 434.562 2.481 10 10 IECE CCc1nnc(N2CCN(c3ccc(OC)c(F)c3)CC2)n1C[C@@H]1CCOC[C@@H]1OC 1709139311 MITLKAWAXJZEKJ-JXFKEZNVSA-N 433.528 2.366 10 10 IECE CC1=CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(N(C)C)cc2C)C1 1742468128 DEBZJVINSSJDJL-KRWDZBQOSA-N 432.594 2.467 10 10 IECE CCOCCCNC(=O)C1=C(N)Oc2c(c(C)nn2CC(C)C)[C@@H]1c1ccc(O)c(O)c1 1864009916 NHHSVYUKPTTYJQ-IBGZPJMESA-N 444.532 2.496 10 10 IECE COc1ccc(CCN2C(=O)NC(=O)/C(=C/Nc3ccccc3C(=O)O)C2=O)cc1OC 17195007 WLBRNRAIIWNESX-QINSGFPZSA-N 439.424 2.019 10 10 IECE CCN1CCN(c2ccc(CNS(=O)(=O)c3c(C)nn(C)c3Cl)cc2F)CC1 303325969 SIYGQMWTELKNNR-UHFFFAOYSA-N 429.949 2.141 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NCc3cc(O)nc4ccccc34)CC2)cc1 778287785 BARYGXLMSVMTLR-ZHACJKMWSA-N 446.507 2.470 10 10 IECE CC(C)(C)OC(=O)N1C[C@@H]2CC(C(=O)OCC(=O)c3ccc(O)c(O)c3)C[C@H](C1)C2=O 784752685 QJXIVJATAPTIEA-GOOCMWNKSA-N 433.457 2.286 10 10 IECE CN(Cc1ccccc1O)C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OCc1ccccc1 917311149 LFBJHIUUXIFHMN-SFHVURJKSA-N 434.514 2.080 10 10 IECE CCN(CC)c1ccc(CNC(=O)[C@H]2CC(=O)N(c3cnn(CCOC)c3)C2)cc1F 1136729702 MIVLLXNJROWHRX-KRWDZBQOSA-N 431.512 2.184 10 10 IECE CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(S(=O)(=O)C4CC4)cc3)cc2)CC1 1154270772 DAEUAHXWZGEDDK-UHFFFAOYSA-N 441.553 2.221 10 10 IECE COc1cc(N2CCN(C(=O)[C@@H]3CCN(c4ccncc4)C3)CC2)cc(OC)c1OC 1183143746 TVXJRCZPDSXNHY-QGZVFWFLSA-N 426.517 2.283 10 10 IECE COc1ccc(N(C)CCN(C)C(=O)NCC2(S(=O)(=O)NC(C)(C)C)CC2)cc1 1246611918 BSOMCQMYIRHZSZ-UHFFFAOYSA-N 426.583 2.023 10 10 IECE CCOCc1nnc(N2CCCO[C@H](C)C2)n1Cc1ccc(N2CCOCC2)c(F)c1 1297252602 JTXSGJDVETWYSM-QGZVFWFLSA-N 433.528 2.454 10 10 IECE COc1ccc(N2CC[C@@H](NC(=O)CCN3CCN(C(=O)OC(C)(C)C)CC3)C2)cc1 1300634604 ZPUKSWPZDJUAIM-GOSISDBHSA-N 432.565 2.333 10 10 IECE CC(=O)NC1CCN(c2nnc(-c3cnn(C)c3)n2CCCSc2nccs2)CC1 1301840689 MOZQSIFFKXNSJF-UHFFFAOYSA-N 446.606 2.422 10 10 IECE CN(C)c1ccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCNC(=O)C2)cc1F 1314659168 RINQTVVUOKOBSM-OXQOHEQNSA-N 444.555 2.386 10 10 IECE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)/C=C/c3ccsc3)CC2)cc1 1461458635 JHICPSOMSWMMBN-FARCUNLSSA-N 435.571 2.038 10 10 IECE CC(C)(C)OC(=O)NCC[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)C(F)F 1468295039 MIBRNTRSCWAPIE-LBPRGKRZSA-N 437.465 2.042 10 10 IECE C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1478424805 MWIJAASGUKGOOZ-HNNXBMFYSA-N 433.553 2.101 10 10 IECE CC[S@@](=O)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccccc1O 1503288890 LQBVTGKZTHRQAI-SSEXGKCCSA-N 428.518 2.036 10 10 IECE CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 1545833229 PNDKVDUHBBRSAT-NRFANRHFSA-N 446.592 2.111 10 10 IECE COCC1(Cn2c(C(=O)N3CCCC3)nnc2N(C)Cc2ccccc2O)CCOCC1 1555295276 JMSRPPLSZRPXEA-UHFFFAOYSA-N 443.548 2.299 10 10 IECE C[C@H]1CS(=O)(=O)CCN1C(=O)CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S 1556211123 YJYYSBMDZKJMNQ-XBUHWIKASA-N 442.559 2.063 10 10 IECE Cc1cc(C(=O)NC[C@@H](NS(=O)(=O)N(C)C)C2CCCC2)c(C)n1-c1ccccn1 1556977764 DDXCSWLATMQKFG-LJQANCHMSA-N 433.578 2.174 10 10 IECE NC(=O)C1CCN(c2ccc(CNC(=O)[C@H]3CCCN(c4ccccc4)C3=O)cc2)CC1 1596354793 DGYFNURBBXZLDT-JOCHJYFZSA-N 434.540 2.448 10 10 IECE CN(C)c1ccc([C@@H](CNC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)N(C)C)cc1 1616858552 OCAOMOXBXGYDSJ-OAQYLSRUSA-N 430.574 2.226 10 10 IECE CCOCc1nnc(N2CCN(c3ccc(OC)c(F)c3)CC2)n1CCc1ccn(C)n1 1616915841 FLQMFIMUVIBQKJ-UHFFFAOYSA-N 443.527 2.265 10 10 IECE COc1ccc(CN2CCN(C(=O)CN(C)CCN(C)c3ccc(OC)cc3)CC2)cc1 1619656973 QXBBDEJEQJCCEU-UHFFFAOYSA-N 440.588 2.416 10 10 IECE Cc1cccc(-n2c(C)cc(CNC(=O)[C@H](C)NS(=O)(=O)c3cnn(C)c3)c2C)c1 1631793663 BKWNOCRMKCPANK-INIZCTEOSA-N 429.546 2.119 10 10 IECE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccnc2)n1Cc1ccc(N(C)C)c(F)c1 1692750087 CTFSGBXWDQHZQY-HNNXBMFYSA-N 446.552 2.463 10 10 IECE CCO[C@@]1(c2nnc(N(C)Cc3ccccc3O)n2CCNC(=O)C(C)(C)C)CCOC1 1710429649 KBWFCLGDXLJQCB-QHCPKHFHSA-N 445.564 2.435 10 10 IECE CCOCc1nnc(N2CCO[C@@H](Cn3cccn3)C2)n1Cc1ccc(N(C)C)cc1C 1710751165 MQIHXQMSOGZIDE-OAQYLSRUSA-N 439.564 2.339 10 10 IECE CCNC(=O)C1(Cn2c(CN3CCCC3=O)nnc2N(C)Cc2ccccc2O)CCC1 1746503746 HKARZXUJUDEIKM-UHFFFAOYSA-N 440.548 2.049 10 10 IECE O=C(N=c1[nH]nc([C@H]2CCCO2)s1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1860744508 UCLAECAODQQCRS-OAHLLOKOSA-N 448.460 2.164 10 10 IECE C[C@H](C(=O)N[C@H]1C=CS(=O)(=O)C1)N1C(=O)C(=Cc2ccc(Cl)cc2)SC1=S 2296565701 LWRYXBSUBVADPG-MFKMUULPSA-N 442.971 2.357 10 10 IECE CCOc1ccc(S(=O)(=O)N2CCN=C2N2CCN(c3ccc(OC)cc3)CC2)cc1 35483303 CCXRYXNSIKGSRF-UHFFFAOYSA-N 444.557 2.276 10 10 IECE O=C1CN(c2ccc(CNS(=O)(=O)c3cc(Br)ccc3F)cc2)CCN1 109815905 FSYCVTSZSYUBLG-UHFFFAOYSA-N 442.310 2.003 10 10 IECE O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)C(=O)Nc1ccc2c(c1)CCCO2 726291300 VQEQQXXLBYRIBT-UHFFFAOYSA-N 427.476 2.367 10 10 IECE CC(=O)N1CCC[C@H]1C(=O)O[C@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 750421242 QQVRKSAKVDUTFF-YJYMSZOUSA-N 434.448 2.343 10 10 IECE COc1ccc(N2CCN(CCNC(=O)N[C@@H](C)c3ccc(-n4ccnn4)cc3)CC2)cc1 756054683 UDEVCWAWERPQOF-IBGZPJMESA-N 449.559 2.458 10 10 IECE COc1ccc(N2CCN(C(=O)N[C@@H](C)Cn3ncc4ccccc4c3=O)CC2)cc1F 763548895 RURFTKKASYOZJZ-INIZCTEOSA-N 439.491 2.465 10 10 IECE O=C(NCc1ccc(N2CCN(CC3CC3)CC2)cc1)[C@@H]1CC(=O)N(Cc2ccco2)C1 768914341 WHWOZVHRLNHWIM-OAQYLSRUSA-N 436.556 2.477 10 10 IECE CCOc1ccccc1S(=O)(=O)NC(=O)c1ccc(NC(=O)C2=S=CC=C2)cc1 775300070 FBSAGWULQJHLOD-UHFFFAOYSA-N 430.507 2.420 10 10 IECE COc1ccc(N2CCN(CCNC(=O)C(=O)N[C@@H]3CCCc4sccc43)CC2)cc1 803749208 FLUNYOFQXUOHRM-HXUWFJFHSA-N 442.585 2.189 10 10 IECE CN(C)S(=O)(=O)c1cccc(CNC(=O)NCc2cc(Br)ccc2O)c1 805275613 LZXCMZPJKOZVED-UHFFFAOYSA-N 442.335 2.404 10 10 IECE CCC[C@H](O)[C@H](CO)NC(=O)CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S 1141983678 CSPCFZAVRKOGFN-SEYCNFAISA-N 426.535 2.055 10 10 IECE CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H]1CC(=O)N(Cc2ccc(OC)cc2)C1 1142690188 IMRLINBWOOSJKY-LJQANCHMSA-N 440.496 2.341 10 10 IECE Cc1cc(N(C)C)ccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(C)C)CC1 1361098747 ZZNUEHQIIYDMIJ-FQEVSTJZSA-N 425.581 2.182 10 10 IECE CN1CCN(c2ccc(CNC(=O)C[C@H]3COCCN3C(=O)OC(C)(C)C)cc2)CC1 1462488472 RUZJVEHMEAKBDD-FQEVSTJZSA-N 432.565 2.081 10 10 IECE C[S@](=O)[C@@H]1CC[C@@H](NC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)C1 1472628552 JCHVSBLBPRXIMY-BAKZXQNTSA-N 428.557 2.284 10 10 IECE CN(C)c1ccc(N=Nc2ccccc2C(=O)NC2CN(S(=O)(=O)N(C)C)C2)cc1 1543558459 UQBWXRWKBXCWQG-UHFFFAOYSA-N 430.534 2.388 10 10 IECE CCc1nnc(N(CC)CCS(C)(=O)=O)n1Cc1ccc(N2CCSCC2)cc1 1546436291 AIAAIBDCWQWNGR-UHFFFAOYSA-N 437.635 2.313 10 10 IECE CCOCc1nnc(N(C)Cc2ccc(N3CCOCC3)cc2)n1C[C@](C)(O)C1CC1 1548085106 MLAPYMCRQUPSKS-QHCPKHFHSA-N 429.565 2.449 10 10 IECE C[C@@H](NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccc2nc(O)oc2c1 1560039507 ZLHSLMSWYCIJOE-CQSZACIVSA-N 428.464 2.476 10 10 IECE C[C@H](NC(=O)c1cc(Cl)sc1S(N)(=O)=O)c1ccc(N2CCOCC2)cc1 1597909275 YMCOMELUUQZNLW-NSHDSACASA-N 429.951 2.377 10 10 IECE NC(=O)C1CCN(c2ccc(CNC(=O)Cc3ccnc(O)c3Br)cc2)CC1 1598008367 ABUYNCLJNUNRPL-UHFFFAOYSA-N 447.333 2.110 10 10 IECE CC[C@]1(O)C[C@@H](OC)c2c(cc3c(c2O)C(=O)c2c(O)ccc(O)c2C3=O)[C@H]1C(=O)OC 1615947298 DHTMFQZHDPPARF-UTAGQHFDSA-N 442.420 2.068 10 10 IECE CN(C)c1ccc([C@@H](CNC(=O)c2cccn(CC(=O)OC(C)(C)C)c2=O)N(C)C)cc1 1627463529 AFPMRIUHIBQWKE-HXUWFJFHSA-N 442.560 2.289 10 10 IECE COc1ccc(N2CC[C@H](CNC(=O)N3CCC(C(N)=O)(N4CCCCC4)CC3)C2)cc1 1636354333 XKKMMUADINNWCB-LJQANCHMSA-N 443.592 2.037 10 10 IECE CCO[C@]12CCC[C@@]1(NC(=O)NCc1ccc(N3CCC(C(N)=O)CC3)cc1)CCO2 1638484960 QJXGINJVWAIIBN-PKTZIBPZSA-N 430.549 2.263 10 10 IECE CCOc1ccc(C(=O)NCC(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)cc1 1638688377 OISHWNKGJFMOLK-UHFFFAOYSA-N 433.455 2.246 10 10 IECE O=C(NCc1ccc(N2CCC(O)CC2)cc1)NC[C@@H](O)COc1ccc(F)c(F)c1 1682987011 UXNYWJMLVPFPRI-GOSISDBHSA-N 435.471 2.165 10 10 IECE Cc1cc(N(C)C)ccc1Cn1c(CC2CC2)nnc1N1CCC(OCC(N)=O)CC1 1693005270 GKDVIUIXXDYPQQ-UHFFFAOYSA-N 426.565 2.124 10 10 IECE 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CN(C)c1ccc([C@H](CNC(=O)c2nn(C)cc2[N+](=O)[O-])NC(=O)OC(C)(C)C)cc1 772917072 PCIWAGMPDTVNMN-HNNXBMFYSA-N 432.481 2.390 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CC[C@H](C(C)(C)C)[C@@H](O)C3)CC2)cc1 778422588 CEJOSLFSWIATGE-KFKZIDAKSA-N 429.561 2.156 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C\C(=O)Nc3ccc4c(c3)OCCN4C)CC2)cc1 1138727464 FBLAZURTXHRUMZ-KTKRTIGZSA-N 436.512 2.367 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N[C@@H](C3CCOCC3)C3CC3)CC2)cc1 1144694479 FHVOZLQNFRBPCM-XXXZYALBSA-N 427.545 2.221 10 10 IECE Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCC2(N3CCOCC3)CCN(C)CC2)c1 1161816381 FMUQURQEQMNZKS-UHFFFAOYSA-N 438.572 2.433 10 10 IECE CC(C)(C)NS(=O)(=O)C1(CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CC1 1254755346 QAQNQHDZKMHEQN-QGZVFWFLSA-N 439.578 2.333 10 10 IECE CC(C)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccccc1O)N1CCOCC1 1302515593 LGDOLXOSFCEQRE-HXUWFJFHSA-N 439.564 2.377 10 10 IECE COc1ccc(N2CCN(C[C@H](O)CN[C@H]3c4sccc4OC(C)(C)[C@@H]3O)CC2)cc1 1307790623 HFCMZAAKGRDHEU-PIPMEXSNSA-N 447.601 2.102 10 10 IECE 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NC(=O)C1CCN(c2ccc(CNC(=O)N[C@H]3COc4c(F)cc(F)cc4C3)cc2)CC1 1471369565 LYQUOMMVSOVLQX-GOSISDBHSA-N 444.482 2.469 10 10 IECE CN(CC(=O)NC1CCN(S(C)(=O)=O)CC1)c1ccc(OCc2ccccc2)cc1 1473389196 KUZKTWPMVYCUSL-UHFFFAOYSA-N 431.558 2.242 10 10 IECE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)/C=C\c3ccccc3F)CC2)cc1 1531663735 AYRXUXBDWSJDCX-WDZFZDKYSA-N 447.532 2.116 10 10 IECE CCN(CC)c1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@@H](C(N)=O)C2)cc1 1615378999 AJMKJPXGUDSLQE-GOSISDBHSA-N 436.564 2.275 10 10 IECE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)NCc2cc(Cl)ccc2O)C1=O 1632228792 UBWCZCCOJLMKIL-OAQYLSRUSA-N 431.876 2.446 10 10 IECE CN1CCN(c2ccc(CNC(=O)NCC3CCN(C4CCOCC4)CC3)cc2)CC1 1636829485 CCHLUXLSUZIZAH-UHFFFAOYSA-N 429.609 2.129 10 10 IECE O=C(NCc1cccc(Cl)c1O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 1640401758 DWNGYEUCLDFVBR-UHFFFAOYSA-N 428.869 2.136 10 10 IECE COCC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1CC(=O)NCc1ccc(N(C)C)cc1 1655042771 NIBYTMBFARYCBD-HXUWFJFHSA-N 434.581 2.327 10 10 IECE 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O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)C(=O)N1CCc2ccnc(O)c2C1 803448936 IPDCQPOAJQOEQV-UHFFFAOYSA-N 446.454 2.059 10 10 IECE COc1ccc(N2CCC(NC(=O)C(=O)N3CC[C@@H](C)[C@H](n4ccnc4)C3)CC2)cc1 804318913 FOEIENNLFHGYDK-DYESRHJHSA-N 425.533 2.086 10 10 IECE CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)CC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C 916645249 ZHDULFGONUQKPO-SFHVURJKSA-N 449.548 2.041 10 10 IECE O=C1/C(=C\c2cccs2)SC(=S)N1CCCC(=O)N1CCC[C@@H](CO)[C@H]1CO 1178471199 WWTAASYVRPTESM-SRECSKBZSA-N 440.612 2.321 10 10 IECE CC[C@@H](O)CN(Cc1ccccc1)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1252844533 ONIWADKZMWUEBB-JOCHJYFZSA-N 445.585 2.404 10 10 IECE Cc1ccc(C2=NO[C@@H](C(=O)NCc3ccc(N4CCS(=O)(=O)CC4)cc3)C2)cc1 1437547847 IZLNQWKULLPQRJ-OAQYLSRUSA-N 427.526 2.039 10 10 IECE COC(=O)[C@@H](NC[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1)c1cc(C)cc(C)c1 1460209293 CHRFSJQKWXQPBB-UPVQGACJSA-N 441.572 2.299 10 10 IECE CN(Cc1ccccc1O)c1nnc([C@@H]2CCOC2)n1CCCCN1CCC[C@H]1CO 1503488223 RQVPJPYRXGSWPP-UXHICEINSA-N 429.565 2.361 10 10 IECE NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C3([C@@H]4CCCCO4)CCOCC3)cc2)C1 1527735041 LIRFVRFMVOGDDH-CTNGQTDRSA-N 429.561 2.370 10 10 IECE CC(C)(C)OC(=O)c1ccc(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cn1 1531600182 MOKUJNZOGGIFAK-UHFFFAOYSA-N 445.541 2.202 10 10 IECE CC(C)(C)OC(=O)NCC1(C(=O)NCc2cccc(Br)c2O)CC(O)C1 1626822520 PYBAIUBPMFOYGS-UHFFFAOYSA-N 429.311 2.437 10 10 IECE COc1ccc(N2CCN(CCNC(=O)[C@@H](C)n3ccc(C(F)(F)F)n3)CC2)cc1 1627050395 NAZHQMNACDSEOS-OAHLLOKOSA-N 425.455 2.410 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C\C(=O)Nc3cccc(C(=O)NC4CC4)c3)CC2)cc1 1628878618 XJEZZFVYSFDGHL-QXMHVHEDSA-N 448.523 2.431 10 10 IECE Cc1c(C(=O)NCc2c(O)cccc2O)nnn1C1CCN(C(=O)OC(C)(C)C)CC1 1639288923 BLBLTLVBVRTSRW-UHFFFAOYSA-N 431.493 2.500 10 10 IECE CCOC(=O)c1c(NC(=O)CN(C)c2ccc(OC)cc2OC)sc(C(N)=O)c1C 1653834841 QBSWSPQUFCQFNT-UHFFFAOYSA-N 435.502 2.424 10 10 IECE C[C@@H]1C(=O)N(C)CCN1c1nnc(CC(C)(C)C)n1Cc1ccc(N2CCOCC2)cc1 1693560018 RQIBDLDARHBJCA-GOSISDBHSA-N 440.592 2.419 10 10 IECE CN(Cc1ccccc1O)c1nnc(Cc2ccncc2)n1C[C@H]1CCCS(=O)(=O)C1 1696700951 RSZMYUJNIKMOQP-GOSISDBHSA-N 441.557 2.431 10 10 IECE COCCNC(=O)[C@H]1CC[C@H](C)N(c2nnc(C)n2Cc2ccc3c(c2)CCCN3C)C1 1698102697 SZBPQTZPCOHUHO-UWJYYQICSA-N 440.592 2.385 10 10 IECE COc1ccc(N2CCCN(c3nnc([C@@H]4CCC(=O)N4)n3CCOC(C)C)CC2)cc1 1730181772 PPRBXIQVKCBKTC-FQEVSTJZSA-N 442.564 2.380 10 10 IECE COC(=O)c1c(NC(=O)C(=O)NCCCNC(C)=O)sc(C)c1-c1ccc(C)cc1 1860761185 PIVFWHFHRBQHIM-UHFFFAOYSA-N 431.514 2.399 10 10 IECE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)c3cccc([N+](=O)[O-])c3C)CC2)cc1 1861910240 QFQJPOITAGTKNN-MRXNPFEDSA-N 426.473 2.379 10 10 IECE COc1ccc(CCC(=O)N[C@H](C)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1861938551 NUSQDTSOEVYFQV-GOSISDBHSA-N 425.529 2.490 10 10 IECE CN(CC(=O)c1ccc(O)c(O)c1)C(=O)CN1C(=O)/C(=C\c2ccco2)SC1=S 33585684 XXWXULACFYHBPN-LZYBPNLTSA-N 432.479 2.233 10 10 IECE COc1ccc(N2CCN(C3=N[C@H](CC(=O)Nc4ccc(C)cc4F)C(=O)N3)CC2)cc1 40375566 GWUGPEQKKUHGES-HXUWFJFHSA-N 439.491 2.148 10 10 IECE 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CCO/C=C\[C@@](O)(CNC(=O)NCc1ccc(N2CCN(C)CC2)cc1)C(F)(F)F 1254716972 ZJPCQYARVWWMBN-FSENSJEKSA-N 430.471 2.081 10 10 IECE COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)Cn1cnc(-c2ccccc2)cc1=O 1295591303 ZUPARKMLSSHOCB-UHFFFAOYSA-N 441.871 2.471 10 10 IECE CN(C)c1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CCN(CC(F)F)CC2)cc1F 1298055874 IGBSIJACYYQJGW-UHFFFAOYSA-N 448.497 2.319 10 10 IECE COc1ccc(N(C)CCN(C)C(=O)CN2Cc3c(cnn3-c3ccccc3)C2=O)cc1 1437380069 KQOAWUSLZURMPO-UHFFFAOYSA-N 433.512 2.432 10 10 IECE Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NC[C@H](O)CNC(=O)OC(C)(C)C)cc1 1449799138 QEFHSPYJGMTEDD-FQEVSTJZSA-N 429.517 2.451 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CCC(OC4CCC4)CC3)CC2)cc1 1451715006 WKVDBSHITVGCFI-MDZDMXLPSA-N 427.545 2.460 10 10 IECE CC(C)[C@H]1N(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CC12CCOCC2 1470754142 QAZAUVUXZRJLHW-HXUWFJFHSA-N 435.590 2.268 10 10 IECE COc1ccc(N2CCN(C[C@@H](O)CN3CCN(CCCOC(C)(C)C)CC3)CC2)cc1 1473754508 NXQQOGOFOFLDMH-QHCPKHFHSA-N 448.652 2.001 10 10 IECE 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O=C(NCc1ccc(N2CCC(O)CC2)cc1)[C@H](c1ccccc1F)N1CCOCC1 1167762433 NKXDGWBWCJEGAK-QHCPKHFHSA-N 427.520 2.477 10 10 IECE COc1ccc2c(c1)CCCCN2CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 1168245195 YVHYGLQCTKJKKL-UHFFFAOYSA-N 443.569 2.371 10 10 IECE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)NCCCC3CCC3)CC2)cc1 1230738951 XMRXKXGUEZEAKR-UHFFFAOYSA-N 438.594 2.027 10 10 IECE NC(=O)C1CCN(c2ccc(CNC(=O)NC[C@H]3CC[C@@H](C(F)(F)F)O3)cc2)CC1 1248630337 CPRXLWLZSWWNLK-SJORKVTESA-N 428.455 2.297 10 10 IECE CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cn(C[C@H]2CCOC2)nn1 1297228200 CNRIIXUOBQAKMP-MRXNPFEDSA-N 429.521 2.317 10 10 IECE C[C@H](NC(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(N(C)C)cc1 1312531012 JJDFRRJZJKFWLN-HNNXBMFYSA-N 449.533 2.342 10 10 IECE Cc1cc(N(C)C)ccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(C)C)CC1 1361098749 ZZNUEHQIIYDMIJ-HXUWFJFHSA-N 425.581 2.182 10 10 IECE O=C(CNS(=O)(=O)c1ccc(F)cc1)Nc1c(-c2ccccn2)nc2ccccn12 1450715922 QOGMWEMSICZYQU-UHFFFAOYSA-N 425.445 2.452 10 10 IECE 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COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CNc1ccc(S(C)(=O)=O)cc1 1623928885 RPDNYWJUWIDDTE-UHFFFAOYSA-N 440.905 2.063 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NCc3c(C4CCC4)cnn3C)CC2)cc1 1645215376 BTTQZRHAZPEYBA-ZHACJKMWSA-N 437.544 2.217 10 10 IECE COc1ccc(N2CCN(C(=O)C3(CC(=O)N4CCOCC4)CCCC3)CC2)c(OC)c1 1648344396 RKUMQQSPMYFYSO-UHFFFAOYSA-N 445.560 2.162 10 10 IECE C[C@@H]1C(=O)Nc2ccccc2CN1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 1654199007 MPZXNGWVQQHZKC-MRXNPFEDSA-N 426.492 2.121 10 10 IECE COc1ccc(N2CC[C@H](NC(=O)N3CCN(c4ccc(F)cc4C(N)=O)CC3)C2)cc1 1683944593 HXHSGMYUTJTVNK-KRWDZBQOSA-N 441.507 2.044 10 10 IECE CCc1nnc(N(C)CCN2C[C@H](C)O[C@H](C)C2)n1Cc1ccc(N2CCOCC2)cc1 1727517728 UEOUEYHUGFKBQK-BGYRXZFFSA-N 442.608 2.271 10 10 IECE Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)CC(N)=O)n2Cc2ccc(N(C)C)cc2C)n1 1751834114 ZPQJEAQLVUSIOO-KRWDZBQOSA-N 438.580 2.263 10 10 IECE CCOCc1nnc(N2CCN3CCOC[C@H]3C2)n1Cc1ccc(N(CC)CC)cc1 1766424549 DEIMXAANYAMUKD-OAQYLSRUSA-N 428.581 2.230 10 10 IECE 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CCOC(=O)N1CSC[C@H]1C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 1127267072 FCIGQKZSSQYXTG-FQEVSTJZSA-N 432.590 2.366 10 10 IECE CCOC(=O)CN(Cc1ccccc1O)C(=O)CCN1CCN(c2ccccc2)CC1 1142691084 VDZKNYVEPBMEQZ-UHFFFAOYSA-N 425.529 2.496 10 10 IECE C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)CN[C@@H](C)c3ccccc3O)cc2)C[C@@H](C)O1 1197004485 TZUFNPCYJMWWPB-BBWFWOEESA-N 447.557 2.479 10 10 IECE CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H](O)[C@](O)(c1ccccc1)C(F)(F)F 1299700146 ZMTOGVDIWOQQAJ-UYAOXDASSA-N 441.402 2.095 10 10 IECE CN(C)c1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCC(CC(N)=O)CC2)cc1F 1314661197 MDGSFWRSPUJPJT-KRWDZBQOSA-N 430.528 2.127 10 10 IECE CC(C)CN(C(=O)CN[C@@H](C)c1ccccc1O)c1c(O)nc(=O)n(CC(C)C)c1N 1460640404 VKWQCWZQVQHZAY-HNNXBMFYSA-N 431.537 2.233 10 10 IECE Cc1cc(NC(=O)[C@H](C)SCC(=O)NCc2ccc(N3CCN(C)CC3)cc2)no1 1462469667 SIMUFEONAGVTTF-INIZCTEOSA-N 431.562 2.111 10 10 IECE CNC(=O)c1cncc(/C=C\C(=O)N2CCCn3ncc(NC(=O)OC(C)(C)C)c32)c1 1462913228 MLFIHCUVJDBVOA-SREVYHEPSA-N 426.477 2.435 10 10 IECE 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CN(C)c1ccc([C@H](CNC(=O)N2CCn3c(nnc3C(F)(F)F)C2)N(C)C)cc1 1565452759 KEUGMRDMCCEIHO-HNNXBMFYSA-N 425.459 2.191 10 10 IECE O=C1C[C@@]2(CCN(C(=O)CCN3C(=O)/C(=C\c4ccc(F)cc4)SC3=S)C2)CN1 1586338848 IPTVYANCEYPWTK-ULXKQSRTSA-N 433.530 2.156 10 10 IECE O=C1C[C@@]2(CCN(C(=O)CCN3C(=O)/C(=C/c4ccc(F)cc4)SC3=S)C2)CN1 1586338849 IPTVYANCEYPWTK-WKSDAVQWSA-N 433.530 2.156 10 10 IECE CCOCc1nnc(N2CCC(C(=O)NC)CC2)n1Cc1ccc2c(c1)CCCN2C 1616759387 SNDDKWGOKCDXOR-UHFFFAOYSA-N 426.565 2.208 10 10 IECE COCCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)c1 1626719668 ZLVHFVNFTHBSCJ-QGZVFWFLSA-N 433.574 2.347 10 10 IECE COC(=O)Cc1sccc1C(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1 1628843192 PQEQAEACKYLXJI-UHFFFAOYSA-N 431.558 2.414 10 10 IECE COc1cccc(CNC(=O)C2([S@@](C)=O)CCN(C(=O)OC(C)(C)C)CC2)c1O 1636061344 NGMGMVCMLSUBOT-GDLZYMKVSA-N 426.535 2.165 10 10 IECE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)C[C@H]3CCCC4(CCC4)O3)cc2)CC1 1662776645 BABRYUVRLZWZOI-OAQYLSRUSA-N 435.590 2.266 10 10 IECE CN1CCN(c2ccc(CNC(=O)N[C@@H]3CC(=O)N(c4ccccc4F)C3)cc2)CC1 1673111807 JHSWJTKDOKPATR-GOSISDBHSA-N 425.508 2.182 10 10 IECE CCSc1cc(CNC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)ccn1 1686192067 NRDQUAFRVGHJMP-UHFFFAOYSA-N 434.587 2.428 10 10 IECE CC[C@@H]1C(=O)NCCN1c1nnc(C(C)C)n1Cc1ccc(N2CCC(CO)CC2)cc1 1727648650 UTKMLWXQVAWFDS-OAQYLSRUSA-N 440.592 2.373 10 10 IECE C[C@H](C(=O)O)N1C(=O)C(=C2C(=O)N(C)c3ccc(Br)cc32)SC1=S 2293202125 GFPBSQIOWVDDIN-ZCFIWIBFSA-N 427.301 2.470 10 10 IECE Cc1ccc2nc(N3C[C@H](C)O[C@H](C)C3)c(C=C3SC(=S)N(C)C3=O)c(=O)n2c1 2314401016 VCOFRIXFMCJYGW-BETUJISGSA-N 430.555 2.448 10 10 IECE COc1ccc(N2N=C(C)/C(=C(/C)NCCc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 9290280 PCCFDJXRBNCMEK-XSFVSMFZSA-N 428.514 2.171 10 10 IECE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 769063304 UZGVRFTYHIAEJA-ROUUACIJSA-N 436.622 2.182 10 10 IECE COCCNC(=O)c1cccc(S(=O)(=O)NCc2cc(Br)ccc2O)c1 796191588 MKJAINUKBVSMBT-UHFFFAOYSA-N 443.319 2.009 10 10 IECE O=C(NCc1cc(Br)ccc1O)NC[C@]1(N2CCOCC2)CCSC1 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CCS(=O)(=O)Nc1ccccc1C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 1299098718 FRJMVOLFTFSCII-UHFFFAOYSA-N 439.484 2.493 10 10 IECE CC(=O)N[C@H]1CCCN(c2nnc(-c3cnccn3)n2Cc2ccc(N(C)C)cc2C)C1 1301821197 NDVQMRIBYFTEHW-IBGZPJMESA-N 434.548 2.263 10 10 IECE CCN(Cc1cnn(C)c1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N(C)C)cc1C 1515644961 YOGAIHUOSAMIJT-FQEVSTJZSA-N 436.564 2.412 10 10 IECE COc1ccc(N2CC[C@@H](NC(=O)c3nn(-c4ccccc4[N+](=O)[O-])c(C)cc3=O)C2)cc1 1532108686 YGQDJQJRMWPYAL-MRXNPFEDSA-N 449.467 2.466 10 10 IECE COc1ccc(N2CCN(C(=O)c3ccc(CN4CCN(C)CC4)s3)CC2)c(OC)c1 1557822263 CVKMMIGYDBKSKH-UHFFFAOYSA-N 444.601 2.475 10 10 IECE CCN1CCN(c2ccc(CNC(=O)[C@@]3(C(=O)OC(C)(C)C)CCCO3)cc2F)CC1 1632993323 BWRHZJLEIUEHPF-HSZRJFAPSA-N 435.540 2.475 10 10 IECE COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C1 1638917990 OXWQIODPMIDEGF-VQIMIIECSA-N 430.471 2.492 10 10 IECE CC(=O)c1cc(Cl)cc(CN(C)CCN(C)c2ccc(S(N)(=O)=O)cc2)c1O 1643225086 XVFOWRJFYBDHLD-UHFFFAOYSA-N 425.938 2.464 10 10 IECE O=C(NCc1cccc(O)c1O)c1sccc1S(=O)(=O)N1CCCC[C@H]1CCO 1651176086 ZWVCTIVGRNBDGY-AWEZNQCLSA-N 440.543 2.015 10 10 IECE O=C(NCc1ccc(N2CCC(CO)CC2)cc1)NC[C@H](n1cncn1)C(F)(F)F 1675173970 MKYLUESKPYWKQT-KRWDZBQOSA-N 426.443 2.090 10 10 IECE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N1CCCC[C@H]([C@H]2CCOC2)C1 1682594966 IBLWWNYOMGTPHT-PMACEKPBSA-N 435.590 2.270 10 10 IECE O=C(NCc1ccccc1)[C@H]1CCN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 1684142196 SWSZGZOWCRLXIP-NRFANRHFSA-N 436.556 2.496 10 10 IECE CCO[C@H]1C[C@H](O)C12CCN(C(=O)NCc1cc(F)c(N3CCOCC3)c(F)c1)CC2 1686724159 KKOHSZRRCNAMKW-OALUTQOASA-N 439.503 2.263 10 10 IECE CCc1nnc(N(C)Cc2ccc(N3CCOCC3)cc2)n1CCN1CCOC[C@@H]1C 1709035637 CDRYPOZFFTUURN-IBGZPJMESA-N 428.581 2.034 10 10 IECE CNC(=O)[C@H]1CN(c2nnc(CC3CCCC3)n2Cc2ccc(N(C)C)cc2C)CCO1 1729690118 LPLQNACPCHRDGE-OAQYLSRUSA-N 440.592 2.385 10 10 IECE CON(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCC(C)CC2)cc1 1750166424 WLJSHQWCRNHPPC-GOSISDBHSA-N 433.578 2.462 10 10 IECE CC(C)(C)OC(=O)NCC(=O)NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874180037 WOAHLPFHDXFBNE-UHFFFAOYSA-N 437.452 2.041 10 10 IECE C[C@H](C(=O)N[C@H]1C=CS(=O)(=O)C1)N1C(=O)C(=Cc2ccccc2Cl)SC1=S 2296573989 QZQTWQGURVLFCJ-PWSUYJOCSA-N 442.971 2.357 10 10 IECE COCCn1c(C)c(C)c2cc(C(=O)O[C@@H](C)C(=O)N(C)CC(=O)NC3CC3)ccc21 728639661 RHCHFIBUOUAQNG-INIZCTEOSA-N 429.517 2.187 10 10 IECE COc1ccc(N2CCN(CCNC(=O)[C@@H]3CSCN3C(=O)C3CCCC3)CC2)cc1 730075412 OLWPANYGKCVKDI-NRFANRHFSA-N 446.617 2.025 10 10 IECE O=C(NCCCCN1CCOCC1)c1cc(NS(=O)(=O)c2cccs2)ccc1O 748028164 WSSFNFARDHAGLX-UHFFFAOYSA-N 439.559 2.097 10 10 IECE CN(C)CCNC(=O)c1cccc(CNC(=O)NCc2cc(Br)ccc2O)c1 805054751 PIJBGTWTTOGLBU-UHFFFAOYSA-N 449.349 2.446 10 10 IECE Nc1c(C(=O)OCC(=O)N2CCO[C@H]3CCCC[C@H]32)ccc2c1C(=O)c1ccccc1C2=O 918848367 VLADOUDWDGQEKZ-MOPGFXCFSA-N 448.475 2.371 10 10 IECE CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCCCN2C(=O)NC(C)(C)C2=O)C1 1134991879 VSMHCJYUAQNBTB-UHFFFAOYSA-N 439.560 2.245 10 10 IECE CC(C)n1c(O)nc2ccc(C(=O)NCc3ccc(N4CCS(=O)(=O)CC4)cc3)cc21 1165916283 SNRPDENCWCEKSM-UHFFFAOYSA-N 442.541 2.488 10 10 IECE CN1CCN(c2ccc(CNC(=O)N3CCOC[C@@H]3C[C@@H](O)c3ccccc3)cc2)CC1 1246303986 SWZAJIDROPLDTL-BJKOFHAPSA-N 438.572 2.473 10 10 IECE COCCN(C)CCNC(=O)CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S 1292762005 NZSCSPVHZHKGGY-SSZFMOIBSA-N 425.551 2.111 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C/C(=O)Nc3ccc(-n4nncc4C)cc3)CC2)cc1 1299880394 SUAFIBRGOXEFHC-VAWYXSNFSA-N 446.511 2.428 10 10 IECE Cc1cnc2c(S(=O)(=O)N3CCN(C(=O)Cc4ccc(O)c(O)c4)CC3)cccc2c1 1441293205 HULBXTNNONYRMV-UHFFFAOYSA-N 441.509 2.030 10 10 IECE O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)[C@H]1CC(=O)N(Cc2ccccc2)C1 1460739668 GGRBRVVCRNFCKB-SFHVURJKSA-N 429.467 2.466 10 10 IECE COCCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(N(C)C)c(F)c2)C[C@H]1C 1504919696 LUFQDOAWXIGMLS-IEBWSBKVSA-N 446.571 2.192 10 10 IECE COC[C@H](F)Cn1c(-c2cnccn2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1518754869 ZAKFVXTXOSIKKC-QGZVFWFLSA-N 441.511 2.445 10 10 IECE O=C(CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)NC[C@@H]1CCCS1(=O)=O 1521562163 QSDLXYWZZXYVDH-QTNMRXCUSA-N 442.559 2.110 10 10 IECE CCOC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)NCc2ccc(N3CCN(C)CC3)cc2)C1 1564587609 LPKLBUVDTRWEGT-UYAOXDASSA-N 431.581 2.495 10 10 IECE COc1cccc(/C=C(\C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)n2nnnc2C)c1 1586054622 KICCNLDCYQOMLH-DWFNGTSHSA-N 449.559 2.473 10 10 IECE COC[C@H]1CN(c2nnc([C@@H]3CCOC3)n2CCCSc2nccs2)CCO1 1619748814 XOYRNZKBAFCBQN-HUUCEWRRSA-N 425.580 2.273 10 10 IECE CCOC(=O)CN(Cc1ccccc1O)C(=O)CCn1c(S)nc2ccccc2c1=O 1627013442 DZYFPHIYFQLSBJ-UHFFFAOYSA-N 441.509 2.373 10 10 IECE CC(=O)N1CCN(c2ccc(CNC(=O)/C=C\c3ccc4c(c3)NC(=O)CO4)cc2)CC1 1638587383 MZDAKNIALHJTMF-UITAMQMPSA-N 434.496 2.016 10 10 IECE C[C@H]1CN(c2ccc(CNC(=O)Cn3c(O)nnc3-c3ccccn3)cc2F)C[C@@H](C)O1 1652826062 MGRTZSDVVAVYQQ-GASCZTMLSA-N 440.479 2.115 10 10 IECE CN(Cc1ccccc1O)c1nnc(C(=O)N2CCCC2)n1C[C@](C)(O)c1ccco1 1729418312 CRSNRGMGNGTWAY-QFIPXVFZSA-N 425.489 2.357 10 10 IECE CC[C@@H](C)c1nnc(N2CCN(C(C)=O)CC2)n1Cc1ccc(N2CCOCC2)cc1 1763736500 DWLBJNDYMVACCM-GOSISDBHSA-N 426.565 2.345 10 10 IECE Cc1cc(N2CCC[C@H](NC(=O)NCc3ccc(N4CCC(CO)CC4)cc3)C2)n(C)n1 770259629 NGGGKGNGMZKVGI-NRFANRHFSA-N 440.592 2.405 10 10 IECE C[C@@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 1136025381 IDJPBAXLKVGLII-BEFAXECRSA-N 437.587 2.035 10 10 IECE COc1ccc(N(C)CC(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)cc1 1171746433 ZAYMWZCTELKSRH-UHFFFAOYSA-N 431.558 2.281 10 10 IECE Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1 1290068072 JGBFTKDJMQXYPO-UHFFFAOYSA-N 439.537 2.455 10 10 IECE CC(=O)N1CCc2cc(S(=O)(=O)NC[C@H](c3ccc(N(C)C)cc3)N(C)C)ccc21 1309933340 BATYWIIEIQNGIR-JOCHJYFZSA-N 430.574 2.243 10 10 IECE COc1ccc(N2CC[C@@H](CNC(=O)NC[C@@H](CO)Cc3ccc(OC)c(O)c3)C2)cc1 1312903006 SAHSEVNHFSCGSS-OALUTQOASA-N 443.544 2.386 10 10 IECE COc1ccc(N2CCN(CCCNC(=O)c3cc(-n4ccnn4)ccc3F)CC2)cc1 1349003509 FLGCBDXIXZVARS-UHFFFAOYSA-N 438.507 2.357 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CCN(C)[C@H](C(C)(C)C)C3)CC2)cc1 1469615852 RAINUKYFEGGDQW-ZJVMWOEPSA-N 428.577 2.089 10 10 IECE O=C(NCC[C@H]1CC[C@@H](C(F)(F)F)O1)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1470755209 ZITUXIUKHSMMNT-SJORKVTESA-N 449.495 2.221 10 10 IECE NC(=O)C1CCN(c2ccc(CNC(=O)c3coc(Sc4ncccn4)n3)cc2)CC1 1471912284 MLSNMGKMVHCDKT-UHFFFAOYSA-N 438.513 2.248 10 10 IECE COc1ccc(N2CCN(CCNC(=O)CCc3cc(OC)c(O)c(OC)c3)CC2)cc1 1542431751 GLQPEQLFMBLEMK-UHFFFAOYSA-N 443.544 2.289 10 10 IECE CN1CCN(c2ccc(CNC(=O)NCC3[C@@H]4CN(C(=O)OC(C)(C)C)C[C@@H]34)cc2)CC1 1565273079 LPUSBWZIVWNDRL-SFTDATJTSA-N 443.592 2.351 10 10 IECE C[C@](CO)(NC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1cccc(C(F)(F)F)c1 1585042863 GNJARVJJQUOJPD-QGZVFWFLSA-N 432.420 2.420 10 10 IECE COc1ccc(N2CCN(CCNC(=O)C3CCN([C@H]4CCSC4)CC3)CC2)cc1 1598028670 NIBHPJHLOZEXBZ-NRFANRHFSA-N 432.634 2.151 10 10 IECE CC[C@@H](C)c1nnc(N2CC[C@@H](C(N)=O)C2)n1Cc1ccc(N2CCOCC2)c(F)c1 1613216894 AAMIPXZXNWVWEG-NVXWUHKLSA-N 430.528 2.127 10 10 IECE CCC1(Cn2cc(C(=O)N[C@@H]3CCCN(Cc4cc(Cl)ccc4O)C3)nn2)COC1 1622635273 VXLKJVVDMVEHNX-QGZVFWFLSA-N 433.940 2.458 10 10 IECE COc1ccc(N2CC[C@H](CNC(=O)[C@@H](O)[C@](O)(c3ccccc3)C(F)(F)F)C2)cc1 1627158968 LUGNJJXRLYOVRG-QFIXIFRTSA-N 438.446 2.449 10 10 IECE COc1cc(N)c(C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)cc1S(C)(=O)=O 1633402752 MUAWMDUWVPDYDW-UHFFFAOYSA-N 446.573 2.464 10 10 IECE COc1ccc(N2CCN(C[C@@H](O)CN3CCC[C@@]3(CO)c3ccccc3)CC2)cc1 1655113839 WFFJWMLGWQJTDH-ILBGXUMGSA-N 425.573 2.162 10 10 IECE CCOC(=O)C1CCC(O)(C[C@H](O)CN2CCN(c3ccc(OCC)cc3)CC2)CC1 1657875962 KLWKLMSONRTJRL-MMPATGFWSA-N 434.577 2.443 10 10 IECE Cc1noc([C@@H]2CCCCN2C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)n1 1683896992 RZGYWAUSLNACJR-SFHVURJKSA-N 433.534 2.050 10 10 IECE Cc1ccc(-c2nnc(N(C)Cc3ccc(N4CCOCC4)cc3)n2CC(=O)N(C)C)o1 1751472770 QCXMCEFVQKCTOY-UHFFFAOYSA-N 438.532 2.408 10 10 IECE CC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(N(C)C)c(F)c2)C1 1760646253 GLWHHYXJGUIUPV-ZWKOTPCHSA-N 430.528 2.140 10 10 IECE CC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(N(C)C)c(F)c2)C[C@H](C)O1 1765268863 ZWGNZIJEVVVUCV-LESCRADOSA-N 430.528 2.486 10 10 IECE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)CCO)=C(N)O2 1865030300 HOKIJWBGKXKPAJ-GOSISDBHSA-N 444.532 2.048 10 10 IECE COC(=O)C1=C(C)NC(=O)C1=Cc1ccc(CNC(=O)C(=O)Nc2ccc(C)c(C)c2)o1 2294034213 NLBLHZSHUAFIJA-UHFFFAOYSA-N 437.452 2.112 10 10 IECE O=C(CCCN1C(=O)C(=Cc2ccc(F)cc2)SC1=S)N[C@H]1C=CS(=O)(=O)C1 2296576829 LGQKUNALFBEBNX-AWEZNQCLSA-N 440.543 2.234 10 10 IECE Cc1c(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cccc1S(N)(=O)=O 753965379 RZKXJOYKRKYBIS-ZIAGYGMSSA-N 435.521 2.325 10 10 IECE CN(C)C[C@H]1CCCN1C(=O)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O 769751982 GHUVWTYGVVQPKH-MRXNPFEDSA-N 448.501 2.267 10 10 IECE COCc1nc(C(=O)OCC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)co1 775085584 DEQOQAGMUNOFTH-ZIAGYGMSSA-N 435.452 2.047 10 10 IECE CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)NCc2cc(Br)ccc2O)=NO1 804741042 RXHHUFBBSMLMDZ-GFCCVEGCSA-N 428.283 2.441 10 10 IECE COc1ccc(N2CC[C@@H](NC(=O)c3c(I)cnn3C)C2)cc1 1131031111 YOVWKKADNIBELL-LLVKDONJSA-N 426.258 2.042 10 10 IECE COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)N(C)Cc1ccc(N2CCCC2)cc1 1136025587 PYODVFUHFATKOO-UHFFFAOYSA-N 433.530 2.224 10 10 IECE Cc1cc(N(C)C)ccc1CNC(=O)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1 1146197709 VCHZBHHPUXMQJZ-UHFFFAOYSA-N 431.558 2.136 10 10 IECE CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@](C)(O)Cn1cc(C(F)(F)F)ccc1=O 1147888804 WTXAQNICMPIRSB-IBGZPJMESA-N 425.407 2.110 10 10 IECE CC(C)[C@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1nc(-c2nc[nH]n2)no1 1251500098 CHPKESCUCOCCAY-IRXDYDNUSA-N 441.540 2.220 10 10 IECE CC(=O)N1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(N(C)C)cc2C)CC1 1286882139 ASWKAVYLNODGOS-UHFFFAOYSA-N 433.560 2.355 10 10 IECE C[C@H](CC(N)=O)N(C)c1nnc(Cc2ccccn2)n1Cc1ccc(N(C)C)c(F)c1 1288546220 BMKQMQXQFJAMQH-OAHLLOKOSA-N 425.512 2.217 10 10 IECE C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)N(Cc2ccco2)Cc2ccccc2O)cc1 1294674202 MNBAEHRFMUYHEB-INIZCTEOSA-N 444.509 2.487 10 10 IECE 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CC(C)c1nnc(N(C)Cc2ccc(N3CCOCC3)cc2)n1CC1(O)CCOCC1 1706279318 KXUSSSTUQWFEHV-UHFFFAOYSA-N 429.565 2.416 10 10 IECE CN(C)c1ccc(Cn2c(Cc3ccncc3)nnc2N2CC[C@](C)(C(N)=O)C2)cc1F 1729330715 VRJOYDKCQNFKGC-QHCPKHFHSA-N 437.523 2.219 10 10 IECE CCCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccnc1)=C(N)O2 1864009958 GPVFGQRDKGQTRY-GOSISDBHSA-N 435.484 2.190 10 10 IECE CS(=O)(=O)Nc1nc(CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cs1 1874178910 AOWBXSBCPLNAOC-UHFFFAOYSA-N 441.490 2.471 10 10 IECE CCN1CCN(c2nc3c(C)cccn3c(=O)c2C=C2SC(=S)N(CC)C2=O)CC1 2053516101 YFPKYYLWFFKOFW-UHFFFAOYSA-N 443.598 2.366 10 10 IECE CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@H](CC(N)=O)C2CCOCC2)C1 435807790 JYZFESCETMNODT-HXUWFJFHSA-N 426.561 2.195 10 10 IECE CCOC(=O)[C@H]1CN([C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)CCO1 741248416 OQEWDYVMXPPVJZ-JLTOFOAXSA-N 436.464 2.053 10 10 IECE Cc1cc(COCC(=O)OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)on1 801462509 KSKWFTJWGJKMOW-UHFFFAOYSA-N 434.404 2.457 10 10 IECE COc1ccc(CCCNC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)cc1OC 803334719 MICOYPJNBMBXDT-UHFFFAOYSA-N 425.529 2.451 10 10 IECE CCOC(=O)CN(Cc1ccccc1O)C(=O)c1nc(N(C)C)ncc1Br 1142690998 SLAKYKQLIGRPQF-UHFFFAOYSA-N 437.294 2.216 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C\C(=O)NCc3nc4cccc(F)c4[nH]3)CC2)cc1 1175743320 YUKZJTNFYKXILZ-KTKRTIGZSA-N 437.475 2.232 10 10 IECE CN(CC1(O)CCOCC1)C(=O)CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S 1447720228 CACIPRIXTQHXRB-VBKFSLOCSA-N 438.546 2.417 10 10 IECE CCOC[C@H]1CN(C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)CCO1 1454600379 ZILZQRKLEAICES-CQSZACIVSA-N 426.516 2.132 10 10 IECE C[C@@H](NC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C)c1ccccc1O 1454793483 GXMNQLXSKZPAGK-CQSZACIVSA-N 430.530 2.339 10 10 IECE CCN1CCN(c2ccc(CNC(=O)c3cn(-c4ccc(OC)cc4)nn3)cc2F)CC1 1528701960 UDMRJTMECCFYIF-UHFFFAOYSA-N 438.507 2.487 10 10 IECE CN(C)c1ccc([C@@H](CNC(=O)[C@H](c2cncn2C)N(C)C)NC(=O)OC(C)(C)C)cc1 1565882069 OKZPEBQFWNDUES-QUCCMNQESA-N 444.580 2.471 10 10 IECE CCOCc1nnc(N2CCCN(c3ccc(OC)cc3)CC2)n1CC(=O)NC(C)C 1616884373 OJZXNCUQGILTIP-UHFFFAOYSA-N 430.553 2.065 10 10 IECE CS(=O)(=O)N1CCN(c2ccc(NC(=O)c3cc4cc(O)c(O)cc4s3)cn2)CC1 1627451966 ZXGZZJBAUARQKQ-UHFFFAOYSA-N 448.526 2.041 10 10 IECE C[C@@H](CCNC(=O)OC(C)(C)C)NC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1681118592 LXIGWZBZNFULGT-INIZCTEOSA-N 447.580 2.491 10 10 IECE CCOC(=O)c1cc2n(n1)C[C@H](C)N(C(=O)NCc1ccc(N3CCC(O)CC3)cc1)C2 1682986777 OFCYIPOFCJCPAL-INIZCTEOSA-N 441.532 2.135 10 10 IECE CCOCc1nnc(N2CCN(c3ccc(OC)c(F)c3)CC2)n1C[C@H](F)COC 1696333868 ZACWHDSUXKWCNQ-HNNXBMFYSA-N 425.480 2.273 10 10 IECE CCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(N2CCCC2)cc1 1696433812 WLAOZHQOWSSDJF-LJQANCHMSA-N 447.605 2.453 10 10 IECE COc1ccc(N2CCN(c3nnc(C)n3C[C@]3(N(C)C)CCSC3)CC2)cc1F 1711866398 XLLJPJMBKOPSRL-OAQYLSRUSA-N 434.585 2.498 10 10 IECE Cc1cc(N(C)C)ccc1Cn1c(-c2ccc[nH]2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1724234554 DHTODIUZJRWJIF-SFHVURJKSA-N 428.562 2.319 10 10 IECE CCN(CC)c1ccc(Cn2c(C)nnc2N2CCN([C@@H](C)C(=O)NC3CC3)CC2)cc1 1746089995 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NC(=O)CN(Cc1ccccc1)c1cccc(NS(=O)(=O)c2cccc(C(N)=O)c2)c1 1344042445 IMNBDRDARQUSFB-UHFFFAOYSA-N 438.509 2.078 10 10 IECE CN(CCN1CCOC(C)(C)C1)CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1460039982 OCAAJMXNGIGVIK-UHFFFAOYSA-N 435.524 2.443 10 10 IECE COc1ccc(N2CCN(C[C@H](O)COc3ccc4c(c3)CCC(=O)N4)CC2)c(OC)c1 1473732386 IZHHFVAXZSOBLG-SFHVURJKSA-N 441.528 2.150 10 10 IECE CN1CCN(c2ccc(CNC(=O)N[C@H]3CCc4ncc(Br)n4C3)cc2)CC1 1479185457 KNNSWEMQYNSBRF-INIZCTEOSA-N 447.381 2.212 10 10 IECE COc1ccc(N(C)CCN(C)C(=O)c2cn(CCCNC(=O)OC(C)(C)C)nn2)cc1 1531375450 YXZAGFICFSQLTI-UHFFFAOYSA-N 446.552 2.410 10 10 IECE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccc(NC(=O)C2CC2)s1 1531593955 FHDHDMZSIZDSJQ-UHFFFAOYSA-N 433.555 2.261 10 10 IECE NC(=O)C1CCN(c2ccc(CNC(=O)c3cn(CCc4ccccc4)nn3)cc2)CC1 1537840117 VIUSKSPUZXNNBL-UHFFFAOYSA-N 432.528 2.153 10 10 IECE CN(C)C(=O)O[C@@H]1CCCN(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)C1 1564895209 ADNMTLXVNHAPOL-OAHLLOKOSA-N 426.464 2.174 10 10 IECE C[C@@]1(CNC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CCOC2(CCC2)C1 1565044948 VUBZKFFEWOBSGI-OAQYLSRUSA-N 435.590 2.460 10 10 IECE CCN(Cc1cc(Br)ccc1O)C(=O)CN1CCCC2(CC2)S1(=O)=O 1588193146 MTUNDZGHQKQDBA-UHFFFAOYSA-N 431.352 2.461 10 10 IECE CN(C)c1ccc([C@@H](CNC(=O)CNS(=O)(=O)c2ccc(Cl)s2)N(C)C)cc1 1603555057 NNLJSHIGIWOORO-OAHLLOKOSA-N 445.010 2.165 10 10 IECE NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3cc(O)ncc3Br)cc2)C1 1626339077 OFSCTUUBIKISOH-ZDUSSCGKSA-N 433.306 2.181 10 10 IECE COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H]1CC(C(=O)OC(C)(C)C)=NO1 1637247998 XEKDUDYJEWCJRH-HNNXBMFYSA-N 426.853 2.034 10 10 IECE COc1ccc(N2CC[C@@H](CNC(=O)C[C@]3(O)CCN(C(=O)OC(C)(C)C)C3)C2)cc1 1638653191 MFXMJHNYHXHTGI-GAJHUEQPSA-N 433.549 2.400 10 10 IECE C[C@@H](C(=O)NCc1ccc(N2CCC(O)CC2)cc1)c1ccc(S(=O)(=O)N(C)C)cc1 1642155033 ATSYPDQVIBSXSB-QGZVFWFLSA-N 445.585 2.318 10 10 IECE COc1ccc(N2CC[C@H](CNC(=O)N[C@@H]3CCCN(CC(F)(F)F)C3=O)C2)cc1 1680556840 ZFENTKYWTKSKQB-RHSMWYFYSA-N 428.455 2.374 10 10 IECE C[C@H](NC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@H](c1ccccc1)N(C)C 1686400606 GMPSPFYRFAWDTF-PGRDOPGGSA-N 444.601 2.412 10 10 IECE CCOCc1nnc(N(C)Cc2ccccc2O)n1C[C@@]1(N2CCOCC2)CCSC1 1747036359 PGVZOVJOVFSAIJ-QFIPXVFZSA-N 447.605 2.365 10 10 IECE CC(=O)N1CCCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(N(C)C)cc2C)CC1 1760599956 XHFYHIPUXGKONL-FQEVSTJZSA-N 426.565 2.263 10 10 IECE CNC(=O)N1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(N(C)C)c(F)c2)CC1 1767829449 YVOGGUSGZKSOQH-UHFFFAOYSA-N 438.511 2.055 10 10 IECE CCOc1cc(C=C2SC(=S)NC2=O)ccc1OC(=O)C=C1SC(=O)NC1=O 2314818723 JWNDCQMFGZMXHM-UHFFFAOYSA-N 436.492 2.346 10 10 IECE CCn1c(N2CCN(C)CC2)c(/C=C2/SC(=S)N(C(C)C)C2=O)c(C)c(C#N)c1=O 33467278 CCTQRNNCKAGDDH-GZTJUZNOSA-N 445.614 2.410 10 10 IECE COc1ccc(-c2noc(=O)n2CC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1OC 110308818 QCXQCQJLPLQQNN-UHFFFAOYSA-N 426.473 2.245 10 10 IECE CCCCC(=O)N1CSC[C@H]1C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 728022435 BUSBGWZRIVFCHZ-FQEVSTJZSA-N 434.606 2.025 10 10 IECE Cc1cc(C(=O)COC(=O)[C@H]2CNC(=O)N2)c(C)n1-c1ccc(OC(F)(F)F)cc1 732361676 MMJDHIPNFAUJGL-OAHLLOKOSA-N 425.363 2.400 10 10 IECE COc1ccc(N2CCN(CCNC(=O)c3ccc(N4CCC(O)CC4)cc3)CC2)cc1 746173505 FJWPVRVTLLDKGK-UHFFFAOYSA-N 438.572 2.208 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CCC(CN4CCCC4)CC3)CC2)cc1 778272511 IUCKNAPLNCBBSP-HJWRWDBZSA-N 440.588 2.234 10 10 IECE NC(=O)[C@H]1CCCN(c2ccc(CNS(=O)(=O)c3cnccc3C(F)(F)F)cc2)C1 785490631 WNCQLIDYTXDYJB-AWEZNQCLSA-N 442.463 2.281 10 10 IECE C[C@H]1CN(c2ccc(CNC(=O)N[C@H](CO)C[C@@H](O)C(C)(C)C)cc2F)C[C@@H](C)O1 790671577 HSKXYFPOEKRDHS-NVALYEJGSA-N 425.545 2.397 10 10 IECE COc1ccc(O)c(CNS(=O)(=O)c2ccccc2S(=O)(=O)C(F)(F)F)c1 805012460 JHTPUVXVYBTUNG-UHFFFAOYSA-N 425.406 2.173 10 10 IECE COc1ccc(N2CCN(C(=O)Cc3noc(C(F)(F)C4CCOCC4)n3)CC2)cc1 809465131 RYEOTHLCSNJNMC-UHFFFAOYSA-N 436.459 2.488 10 10 IECE CN(C)C1CCN(C(=O)c2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2O)CC1 920447050 ZWYRVMPRVLYKBK-UHFFFAOYSA-N 448.501 2.267 10 10 IECE COc1ccc(N2CC[C@@H](CNC(=O)c3ccc4c(c3)CCN4S(C)(=O)=O)C2)cc1 1130185791 RFJOGBFLMRZDGN-INIZCTEOSA-N 429.542 2.274 10 10 IECE C[C@@H](NC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@@H]1OCCc2sccc21 1229501162 BIGNEUKRABFRTI-QRWLVFNGSA-N 449.598 2.485 10 10 IECE Cc1cc(-c2nnc(N3CCN(C)C(=O)C3)n2CC(=O)NC(C)C)c(C)n1-c1ccccc1 1289359774 UKGMRGYEPDSLIL-UHFFFAOYSA-N 449.559 2.156 10 10 IECE Cc1cc(N(C)C)ccc1Cn1c([C@@H]2CCCCO2)nnc1N(C)CCS(C)(=O)=O 1289424690 ZAWFQWXFQRHIGV-IBGZPJMESA-N 435.594 2.423 10 10 IECE Cc1cccc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)Cc2ccccc2O)n1 1290015203 BKNJWOVWVRIBEO-INIZCTEOSA-N 444.561 2.176 10 10 IECE CN(CCN1CCOCC1)c1nnc([C@@H]2CCOC2)n1CCCSc1nccs1 1298738830 OJHCOQCTZQHCHF-MRXNPFEDSA-N 438.623 2.189 10 10 IECE C[C@H](CN(C)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)NC(=O)OC(C)(C)C 1307973509 DUUFBULGRNRYRV-MRXNPFEDSA-N 438.544 2.124 10 10 IECE NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3cccn(CC(F)(F)F)c3=O)cc2)C1 1356431919 CMVKWFMPIMPTIZ-HNNXBMFYSA-N 436.434 2.042 10 10 IECE 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CC(C)(C)OC(=O)NC[C@H](O)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 1611011256 IKOFGPLZCFHRDZ-INIZCTEOSA-N 429.464 2.259 10 10 IECE COC[C@H]1CN(c2nnc(CC(C)C)n2Cc2ccc(N3CCOCC3)c(F)c2)CCO1 1619746553 KCZLYLBJEYZOHN-LJQANCHMSA-N 447.555 2.352 10 10 IECE CN1CCN(c2ccc(CNC(=O)CN3CCC(NC(=O)OC(C)(C)C)CC3)cc2)CC1 1633252162 IIIMLFKWXQSEER-UHFFFAOYSA-N 445.608 2.044 10 10 IECE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1644863416 KTVAOBZUQUWFGI-HKUYNNGSSA-N 430.549 2.165 10 10 IECE C[C@@H](NC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccc2c(c1)CCO2 1687005971 DDNLYLQTQMIRNP-MRXNPFEDSA-N 429.542 2.417 10 10 IECE Cc1cc(CN(C)c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(N(C)C)c(F)c2)no1 1692990405 SCMLTPMRVKBJDF-QGZVFWFLSA-N 427.484 2.415 10 10 IECE C#CCN(CC#C)c1nnc([C@H]2CCCO2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1705587789 IZIRMFAVULTAMV-HSZRJFAPSA-N 433.556 2.459 10 10 IECE Cc1nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n1Cc1ccc(N2CCSCC2)cc1 1707853918 SRFDNHJULQXMPO-HZPDHXFCSA-N 437.635 2.446 10 10 IECE 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CNC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(CNC(C)=O)o3)cs2)cc1 784099653 OSXQYYOUPCTOPW-UHFFFAOYSA-N 434.499 2.200 10 10 IECE Cc1ccc(CN(CCO)CC(=O)c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)o1 796558784 JVXBIFJPZYSMPC-UHFFFAOYSA-N 445.541 2.320 10 10 IECE CCOC1CC(CNC(=O)NCc2cc(Br)ccc2O)(N2CCOCC2)C1 805366808 MGNGTAJLJCRWOI-UHFFFAOYSA-N 442.354 2.224 10 10 IECE CC(=O)N1CCN(c2ccc(C(=O)NCc3ccc4cccnc4c3O)cc2[N+](=O)[O-])CC1 1142728434 SYERVKXBRCWOCQ-UHFFFAOYSA-N 449.467 2.447 10 10 IECE CN1CCN(c2ccc(CNC(=O)COC3CCN(C(=O)OC(C)(C)C)CC3)cc2)CC1 1153443001 DWLZPHKDSRHTIK-UHFFFAOYSA-N 446.592 2.471 10 10 IECE COc1ccc(N2CCN(C[C@H](O)CN3CC[C@@H](C(F)(F)F)O[C@H](C)C3)CC2)cc1 1197484589 XPUOLEWGBJNUEQ-KPFFTGBYSA-N 431.499 2.220 10 10 IECE Cc1ccn(C[C@@H](C)C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)n1 1264770730 JVLGMQMQNDQFCB-QGZVFWFLSA-N 437.523 2.400 10 10 IECE Cc1c(Br)cc(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)c(=O)n1C 1301350083 LLAMUURLCJLHIZ-UHFFFAOYSA-N 434.334 2.347 10 10 IECE CCc1nnc(N(C)Cc2ccc(N3CCOCC3)cc2)n1C[C@@H]1CCCN1CCCO 1306078550 XZBSSSCGBIJLCB-QFIPXVFZSA-N 442.608 2.160 10 10 IECE COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)CN3C[C@H](O)C4(CC4)C3)c2C)c1 1320457313 USASVENZUKAFDG-NRFANRHFSA-N 440.496 2.307 10 10 IECE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(N2CCOCC2)c(C)c1 1447344870 FDIZTADMXLFOAL-SFHVURJKSA-N 428.485 2.147 10 10 IECE Cc1oc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1S(=O)(=O)N1CCCC1 1533682222 BHPKFSSOLNVOHN-UHFFFAOYSA-N 446.573 2.054 10 10 IECE COc1ccc(N2CC[C@H](NC(=O)CCS(=O)(=O)c3ccc4c(c3)OCCO4)C2)cc1 1538744997 ABWKXQVUAQBBJU-INIZCTEOSA-N 446.525 2.025 10 10 IECE CN(C)c1ccc(CN(Cc2ccco2)C(=O)CNS(=O)(=O)c2ccccc2N)cc1 1540800034 CPKABEFYLGNWGN-UHFFFAOYSA-N 442.541 2.435 10 10 IECE CCO[C@]1(c2nnc(N(C)Cc3ccccc3O)n2CC[C@@H]2COCCO2)CCOC1 1616153855 HNTXXTYCBWSZTC-XMSQKQJNSA-N 432.521 2.078 10 10 IECE CNC(=O)[C@@H]1CCCN(c2nnc(-c3cnccn3)n2Cc2ccc(N(C)C)cc2C)C1 1618642646 WJNKXQYLWGALIV-GOSISDBHSA-N 434.548 2.120 10 10 IECE CCOc1ccc(N2CCN(C(=O)CCC(=O)Nc3ccc4nc(O)[nH]c4n3)CC2)cc1 1623429425 ANXHVUXSEDBMBH-UHFFFAOYSA-N 438.488 2.130 10 10 IECE NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3coc(Sc4ncccn4)n3)cc2)C1 1630737925 GAUHJDVKIALZGB-OAHLLOKOSA-N 438.513 2.248 10 10 IECE C[C@H](NC(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12)c1ccccc1O 1642831378 YYXYIUJDGAPCCB-KPEUIFRASA-N 438.546 2.240 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C\C(=O)NCc3nccc(C(F)(F)F)n3)CC2)cc1 1642872427 KYYWQJYNAKXYSG-SREVYHEPSA-N 449.433 2.025 10 10 IECE O=C1/C(=C\c2ccc(F)cc2)SC(=S)N1CCC(=O)N1CCC[C@@H](CO)[C@H]1CO 1652339803 MSOLPJCFOCGPET-CLZWMRPSSA-N 438.546 2.009 10 10 IECE CCNS(=O)(=O)c1cccc(CNC(=O)NC[C@@H]2CCN(c3ccc(OC)cc3)C2)c1 1681880032 LRDXAWBSKAMGOL-SFHVURJKSA-N 446.573 2.319 10 10 IECE O=C(NCc1ccc(N2CCC(O)CC2)cc1)N1CCC(CCN2CCOCC2)CC1 1684280440 LBISRGULNDTZES-UHFFFAOYSA-N 430.593 2.292 10 10 IECE C[C@H](CC(N)=O)N(C)c1nnc(Cc2cccnc2)n1Cc1ccc2c(c1)CCCN2C 1692670413 BYGGWHMVAAOWDR-QGZVFWFLSA-N 433.560 2.395 10 10 IECE C#CCn1ccc(CN(CCOC)c2nnc(C)n2Cc2ccc(N(C)C)c(F)c2)n1 1705631465 GIIPIWMOELWFBE-UHFFFAOYSA-N 425.512 2.323 10 10 IECE CCOCc1nnc(N2CCC(CNC(C)=O)CC2)n1Cc1ccc(N(C)C)c(F)c1 1747108088 XQYCJUDELIQWCG-UHFFFAOYSA-N 432.544 2.421 10 10 IECE CCOCc1nnc(N2CCO[C@H](COC)C2)n1Cc1ccc(N2CCSCC2)cc1 1766439341 XXYYJMHZFPEVHD-FQEVSTJZSA-N 447.605 2.268 10 10 IECE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(C(C)C)n2Cc2ccc(N(C)C)c(F)c2)C1 1767247936 BQTLSTVSYBIICY-MRXNPFEDSA-N 438.573 2.173 10 10 IECE COc1ccc(N2CCN(C(=O)CNC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)CC2)cc1 1861914212 NPINBJVYGWICLD-UHFFFAOYSA-N 432.864 2.335 10 10 IECE O=C(CCN1C(=O)C(=Cc2cccc(Cl)c2)SC1=S)N[C@H]1C=CS(=O)(=O)C1 2296591538 ZJVANMDHZJMKDZ-ZDUSSCGKSA-N 442.971 2.358 10 10 IECE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(Br)cc3)C(=N)N21 20206593 BUBQWHZLXQXOMJ-CCGUKCLOSA-N 427.305 2.460 10 10 IECE CCOCCOCC(=O)O[C@@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 746736106 SEMDLNNWGWHZGU-AWEZNQCLSA-N 425.437 2.385 10 10 IECE 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Cc1cc(-c2nnc(N3CC[C@@](C)(C(N)=O)C3)n2CC(=O)N(C)C)c(C)n1-c1ccccc1 1751408792 NMQABKJMRPZBFC-XMMPIXPASA-N 449.559 2.143 10 10 IECE CCCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H]1CCCO1)=C(N)O2 1864013670 FBACKFSSCKYNAC-KDOFPFPSSA-N 442.516 2.257 10 10 IECE Cc1ccc(CNC(=O)[C@@H](F)C2(O)CN(C(=O)OC(C)(C)C)C2)c(O)c1Br 2380724653 BDIBAWUMBSLVQB-CQSZACIVSA-N 447.301 2.399 10 10 IECE CCOc1cc(/C=C2\C(=N)N3N=C(S(=O)(=O)CC(C)C)SC3=NC2=O)ccc1O 20208667 PUTJENZUWDKIJI-CRKOOCFNSA-N 436.515 2.438 10 10 IECE Cc1ccc2nc(N3CCCC3)c(/C=C3/SC(=S)N(CCC(=O)O)C3=O)c(=O)n2c1 33450158 NKEBDIQFRRWUHQ-GXDHUFHOSA-N 444.538 2.279 10 10 IECE CC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)Nc2cccc(N3CCOCC3)c2)c1 110931924 CZMLPDUEKINHJY-UHFFFAOYSA-N 432.502 2.105 10 10 IECE COc1ccc(N2CCN(CCNC(=O)NCCc3cn4cccc(C)c4n3)CC2)cc1 746753482 DGFVXBDXYFMMCX-UHFFFAOYSA-N 436.560 2.315 10 10 IECE COc1ccc(N2CCN(CCNC(=O)N[C@@H]3[C@H]4CCO[C@H]4C34CCCC4)CC2)cc1 754841184 GSHOLBNDLYHSIH-YPAWHYETSA-N 428.577 2.464 10 10 IECE 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Cc1ccc(C)n1-c1ccc(C2=C(NC3CC3)C(=O)N(CCN3CCOCC3)C2=O)cc1 1873166781 GZSLWVZUSBTWEN-UHFFFAOYSA-N 434.540 2.258 10 10 IECE O=C(O)CCOc1ccc(C=C2SC(=S)N(NC(=O)c3cccnc3)C2=O)cc1 2314932379 VGUPFQZZBAIQCT-UHFFFAOYSA-N 429.479 2.481 10 10 IECE COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccc(CCNC(C)=O)cc3)cs2)c[nH]1 743046008 KISYAXVPTFFIDV-UHFFFAOYSA-N 448.526 2.404 10 10 IECE CCOC(=O)C1(O)CCN(CC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)CC1 746462970 JXLCFAOYMLQIEY-UHFFFAOYSA-N 428.485 2.396 10 10 IECE COc1cc2c(cc1OC)CN(CC(=O)NCc1ccc(N3CCOCC3)cc1)CC2 769492334 SFOPNXCJAAPBQH-UHFFFAOYSA-N 425.529 2.215 10 10 IECE COc1ccc(O)c([C@@H](C)NC(=O)CN2C(=O)N[C@@](C)(c3cc(C)ccc3OC)C2=O)c1 771565738 JJSNKHKRZTUTNQ-FATZIPQQSA-N 441.484 2.362 10 10 IECE O=C(NCc1ccc(N2CCOCC2)c(F)c1)C(=O)NC1CCN(c2ccccc2)CC1 789798849 DUJJRVFARQMQRQ-UHFFFAOYSA-N 440.519 2.064 10 10 IECE CC[C@@H]1CN(C(=O)NCc2ccc(N3CCN(CC)CC3)c(F)c2)C[C@@]2(CCOC2)O1 792992485 JTWSQCDGJAOIKD-AUSIDOKSSA-N 434.556 2.447 10 10 IECE 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CC(C)NC(=O)c1nnc(N2CC[C@H](C)C2)n1Cc1ccc(N2CCOCC2)c(F)c1 1493874067 RHWDIJJYPNTAQY-INIZCTEOSA-N 430.528 2.287 10 10 IECE CC(C)Cc1nnc(N(C)Cc2ccc(N3CCOCC3)cc2)n1C[C@]1(O)CCOC1 1541427157 CAPDHGRJKCOMNE-HSZRJFAPSA-N 429.565 2.101 10 10 IECE COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H]2CCCCN(CC(=O)OC(C)(C)C)C2=O)c1 1565247209 NYOONKAWTIAXCK-RHSMWYFYSA-N 435.521 2.484 10 10 IECE CC[C@H]1CN([C@@H](CC)C(=O)N2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)CCO1 1567381131 FXHDDECZCLRBGV-OALUTQOASA-N 435.565 2.250 10 10 IECE CC(=O)N1CCN(c2ccc(CNC(=O)CNC(=O)c3ccccc3Cl)cc2)CC1 1634073772 DGAXHWVDXWKZJW-UHFFFAOYSA-N 428.920 2.055 10 10 IECE Cn1ccnc1[C@@H]1C[C@H](NC(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)CCO1 1635997143 ZHQLAZSHPKGTBG-QAPCUYQASA-N 435.475 2.254 10 10 IECE CCCNC(=O)[C@@H]1CCCN(c2nnc(C)n2Cc2ccc(N3CCOCC3)c(F)c2)C1 1695408731 IZCXUJGWXNLQRB-LJQANCHMSA-N 444.555 2.353 10 10 IECE CN(C)C(=O)Cn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1ccccc1O 1768453413 DRCPYFPSSLCACH-UHFFFAOYSA-N 447.337 2.476 10 10 IECE COc1ccc(N2CCN(C(=O)CNC(=O)COc3c(C)ccc(C)c3C)CC2)cc1 1862198783 MZGHOYPOCNWLDH-UHFFFAOYSA-N 425.529 2.464 10 10 IECE O=C(O)CCOc1cccc(C=C2SC(=S)N(NC(=O)c3ccncc3)C2=O)c1 2314930817 JRJXWNMBPPGKTH-UHFFFAOYSA-N 429.479 2.481 10 10 IECE Cc1ccc(CNC(=O)[C@H](CCC(N)=O)NC(=O)OC(C)(C)C)c(O)c1Br 2380753913 KWFPOFVCKPYJRN-LBPRGKRZSA-N 444.326 2.238 10 10 IECE CCOc1ccc(/C=C2/SC(=S)N(CC(=O)N3CSC[C@@H]3C(=O)O)C2=O)cc1 2951393 OXXLOARAEJEBDF-PFLCFFIHSA-N 438.552 2.273 10 10 IECE O=C(CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)NCc1c(O)ccc2c1CCCC2 743716712 WMWLLVZTNHQMLA-QHCPKHFHSA-N 433.508 2.363 10 10 IECE Cc1cc(C(=O)NS(=O)(=O)CCOc2ccccc2)ccc1NC(=O)C1=S=CC=C1 759394334 DFWNNWRVQSSJKP-UHFFFAOYSA-N 444.534 2.350 10 10 IECE C[C@@H]1CN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CCN1CCO 779309226 CDWWAILHKURUJV-IZCBMXNHSA-N 439.628 2.255 10 10 IECE C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)c1 918337469 KOWUHOUQTXJMFI-IIBYNOLFSA-N 441.553 2.446 10 10 IECE CS(=O)(=O)CC[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1Cc2cccc(O)c2C1 1175029879 LWSYURNGKBCQAQ-QGZVFWFLSA-N 436.917 2.121 10 10 IECE Cn1cc([C@]2(CNC(=O)NCc3cc(F)c(N4CCOCC4)c(F)c3)CCCO2)cn1 1251750670 ISDHOLBMLJBRGB-OAQYLSRUSA-N 435.475 2.040 10 10 IECE O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc(-n2[nH]c(O)nc2=O)cc1 1292594166 PTSCUVMLJQBYRU-UHFFFAOYSA-N 445.426 2.266 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N[C@H](C3CC3)[C@@H]3CCCCO3)CC2)cc1 1300144870 JLTBZXNTOVRPQQ-DTNGHQKISA-N 427.545 2.364 10 10 IECE CN(C)c1ccc([C@H](CNC(=O)c2c(Br)nc3n2CCOC3)N(C)C)cc1 1304767484 HRVBPPHLQRCMPF-HNNXBMFYSA-N 436.354 2.275 10 10 IECE COc1ccc(N2CC[C@@H](NC(=O)NC[C@@H]3CN(C)CCN3Cc3ccccc3)C2)cc1 1312994834 NTXZKFQRYDVAJJ-FYYLOGMGSA-N 437.588 2.389 10 10 IECE CN(C)c1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CCC[C@H](C(N)=O)C2)cc1F 1314659677 ALJURXPRTUXPCZ-IRXDYDNUSA-N 430.528 2.127 10 10 IECE CN(C)c1ccc([C@@H](CNc2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)N(C)C)cc1 1458682182 OISZUFKWRXGIPY-LJQANCHMSA-N 439.603 2.274 10 10 IECE C[C@@H]1C[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccccc2O)CCO1 1512027035 BDMRVJQCHZUOFD-JFIYKMOQSA-N 434.562 2.337 10 10 IECE CCS(=O)(=O)CCN(C)c1nnc(C(C)C)n1Cc1ccc(N2CCOCC2)cc1 1516797436 VITIVUXJUBHCEI-UHFFFAOYSA-N 435.594 2.157 10 10 IECE O=C(CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)N1CCO[C@@]2(CCOC2)C1 1529822617 WTKQHTQAXRLNQN-PRDNPTHXSA-N 436.530 2.435 10 10 IECE CN1CCN(Cc2ccc(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)s2)CC1 1542112792 FCSRRRCHTGAAFX-UHFFFAOYSA-N 432.565 2.401 10 10 IECE CC(C)(C)OC(=O)CN1CCC[C@@H](C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C1=O 1597090020 MVHWYHCKXJISSV-RBUKOAKNSA-N 446.544 2.480 10 10 IECE NC(=O)N1CCCN(C(=O)CCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)CC1 1610921450 JILVMJPAMMZMCN-QINSGFPZSA-N 436.534 2.030 10 10 IECE CCO[C@@]1(c2nnc(N(C)Cc3ccccc3O)n2CCc2ccn(C)n2)CCOC1 1616151517 CKYYLENFRAPXFC-QFIPXVFZSA-N 426.521 2.248 10 10 IECE CN(C)c1ccc([C@@H](CNC(=O)[C@@]2(C)CN(C(=O)OC(C)(C)C)CCO2)N(C)C)cc1 1616867234 RPHPZIMZDDPAGY-AUSIDOKSSA-N 434.581 2.498 10 10 IECE 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COc1cccc(-n2cccc2C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)c1 2297346816 ITDQPPBNJHUDAW-UHFFFAOYSA-N 429.483 2.107 10 10 IECE COc1ccc(N2CCN(S(=O)(=O)CCCOc3ccc4c(c3)OCO4)CC2)cc1 13521628 SSNXADPRIXXYCK-UHFFFAOYSA-N 434.514 2.345 10 10 IECE CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(O)c(O)c(O)c3)CC2)cc1 169902488 BCJHKLVSSBIWLK-UHFFFAOYSA-N 434.514 2.248 10 10 IECE O=C(NCc1ccc(N2CCN(CC3CC3)CC2)cc1)NC[C@@H](O)COc1ccccc1 769057996 HXPMRYVQOGZFHM-HSZRJFAPSA-N 438.572 2.458 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CC[C@@H](Cc4ccncc4)C3)CC2)cc1 782839854 NLJMRVKFDKZXIL-BXKJMJEDSA-N 434.540 2.386 10 10 IECE CCOc1ccc(-n2ncc(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)c2C)nn1 918632734 FAAFWPYTOFPMKK-UHFFFAOYSA-N 440.479 2.275 10 10 IECE C[C@@]1(c2cccc(CN3C(=O)CN(Cc4cc(Cl)ccc4O)C3=O)c2)NC(=O)NC1=O 1116786178 ORQGDCWJSMPZEX-NRFANRHFSA-N 442.859 2.065 10 10 IECE Cc1ccc(Br)c(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)n1 1130979902 JDQYOBJHRQMHHM-UHFFFAOYSA-N 438.347 2.317 10 10 IECE NC(=O)C[C@H](NC(=O)c1ccccc1F)C(=O)NCc1ccc(N2CCCCC2)cc1 1162801030 SJHHRRVVIHJKMS-FQEVSTJZSA-N 426.492 2.106 10 10 IECE COc1ccc(N(C)CCN(C)CC(=O)Nc2cc(-n3cnnn3)ccc2Cl)cc1 1307897827 VBGVFQLQHAXAOH-UHFFFAOYSA-N 429.912 2.331 10 10 IECE CCOCc1nnc(N2CCN(C)C(=O)[C@H]2C)n1Cc1ccc(N2CCSCC2)cc1 1314388422 MNZOXPQQGOVUMJ-QGZVFWFLSA-N 444.605 2.083 10 10 IECE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 1320149159 HJEOAXAOPLRLPJ-ULQDDVLXSA-N 427.453 2.263 10 10 IECE COc1ccc(N2CC[C@H](NC(=O)CN(C)S(=O)(=O)c3ccc(Cl)cc3)C2)cc1 1437577022 KWFFRWGIEMNJMM-INIZCTEOSA-N 437.949 2.364 10 10 IECE O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)NOCCN1CCCC1=O 1454241083 MNIIKIHNEFWMKU-WYMLVPIESA-N 439.584 2.400 10 10 IECE C[C@@H](NC(=O)N[C@@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1)c1ccc(N(C)C)cc1 1469852917 BUKLTCUPSIKALX-NVXWUHKLSA-N 445.564 2.333 10 10 IECE CCOCc1nnc(N2CCN(CC)[C@H](C)C2)n1Cc1ccc(N2CCOCC2)c(F)c1 1503114617 XETYIJXSFVKNFE-GOSISDBHSA-N 446.571 2.369 10 10 IECE CC(=O)N(C)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(N(C)C)c(F)c2)CC1 1508177954 MCDMZPRQWXLZTM-SFHVURJKSA-N 444.555 2.483 10 10 IECE COCCO[C@@H](C)c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1Cc1ccc(N(C)C)cc1C 1519256213 IHPWUNKOCNYHFA-ROUUACIJSA-N 444.580 2.092 10 10 IECE CCC(CC)(CC)C(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1527892544 SDOHREAZCLDJJD-UHFFFAOYSA-N 425.595 2.480 10 10 IECE O=C1CCc2cc(OC[C@@H](O)CNC(=O)c3cc4cc(O)c(O)cc4s3)ccc2N1 1566336321 VWNXUMSUSFWXAW-ZDUSSCGKSA-N 428.466 2.367 10 10 IECE Cc1nn(C)cc1C1=NO[C@H](C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)C1 1566356961 SLXIDBQPTYRLBS-JXFKEZNVSA-N 431.924 2.361 10 10 IECE CN(C)c1ccc([C@@H](CNC(=O)c2c(I)cnn2C)N(C)C)cc1 1616858490 NFBMZCHHBBWLPI-OAHLLOKOSA-N 441.317 2.123 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C\C(=O)Nc3cc([C@H]4CCCO4)[nH]n3)CC2)cc1 1631149286 MXSUSWKDNVBUKK-OLHLWXQYSA-N 425.489 2.113 10 10 IECE COC(=O)[C@@H]1C[C@@H]2C[C@H](NC(=O)N3CCN(c4cc(OC)c(OC)c(OC)c4)CC3)[C@@H]2C1 1684439746 CGCHVQMCUDJCIX-AHCXZYCDSA-N 447.532 2.132 10 10 IECE 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CCO[C@]12CCC[C@@]1(NC(=O)/C=C/C(=O)N1CCN(c3ccc(OC)cc3)CC1)CCO2 1603400995 IRMPFSRLYAYCGP-VEJIKLGOSA-N 443.544 2.092 10 10 IECE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(F)(F)c1ccccc1NC(C)=O 1611050262 XSXHGZYHHFTLKL-INIZCTEOSA-N 436.411 2.439 10 10 IECE COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)Cn1nnc(-c2ccc(C)cc2)n1 1631531082 GMXZGGHDACXMLT-UHFFFAOYSA-N 429.864 2.209 10 10 IECE O=C(CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)N[C@@H]1CC[C@H](O)[C@H](O)CC1 1638740298 FEFFRHXDKHVDHX-NXKGPPFVSA-N 438.546 2.198 10 10 IECE C[C@@H]1CCCN(c2ccc(CNC(=O)N3CCS(=O)(=O)C[C@@H]3CCO)cc2Cl)C1 1672137471 SKURILKUWHHPAC-WBVHZDCISA-N 443.997 2.267 10 10 IECE Cc1cc(N(C)C)ccc1Cn1c(C)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1707305138 QWUUDSMSSZKXIK-GOSISDBHSA-N 434.610 2.117 10 10 IECE CO[C@@H]1CCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1O 1730363968 VETSHQHUCMMFMQ-JENIJYKNSA-N 434.562 2.337 10 10 IECE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1Cc1ccc(N(C)C)c(F)c1 1730958812 MGNYWQNJZDJLDX-GWKIZSTFSA-N 447.555 2.463 10 10 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C[C@@H](NC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cnn(CC2CCC2)c1 1683733930 CBYHHHNCZRHXKI-QGZVFWFLSA-N 445.589 2.478 10 10 IECE CCc1nsc(N2CCN(C(=O)NC[C@H]3CCN(c4ccc(OC)cc4)C3)CC2)n1 1686855121 TURPYLWGZWVUOG-MRXNPFEDSA-N 430.578 2.467 10 10 IECE CC[C@@H](C)c1nnc(N2CC[C@@](C)(C(N)=O)C2)n1Cc1ccc(N2CCOCC2)cc1 1694037548 NHFKOSUXFPUZNW-UZUQRXQVSA-N 426.565 2.378 10 10 IECE O=S1(=O)CCN(c2nnc(-c3cccnc3)n2CCCSc2nccs2)CC1 1750428490 NFOCPJZASKLUDB-UHFFFAOYSA-N 436.588 2.214 10 10 IECE NC(=O)CC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)SC1=S 1858592205 IVZJAJHFSVOIHE-CAXXOGMASA-N 429.863 2.168 10 10 IECE CCCC[C@H](NC(=O)C1CCN(C)CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861967822 ATNJJTAAYAIHHA-QFIPXVFZSA-N 430.593 2.361 10 10 IECE CN(C(=O)CCN1C(=O)C(=Cc2cccc(F)c2)SC1=S)[C@H]1CCS(=O)(=O)C1 2296885888 ZVYKZOHDKLSVGF-AWEZNQCLSA-N 442.559 2.063 10 10 IECE O=C1Nc2ccccc2/C1=C1\SC(=S)N(NC(=O)c2ccccc2[N+](=O)[O-])C1=O 2919767 WJKYSTOSAXUSSL-BUHFOSPRSA-N 426.435 2.463 10 10 IECE 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CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 1628855385 ZXEOSDPUMMNWMV-UHFFFAOYSA-N 433.486 2.107 10 10 IECE COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 1631531097 HDVQUDCTLPKPCX-UHFFFAOYSA-N 449.847 2.276 10 10 IECE O=C(CNC(=O)c1ccccc1OC(F)F)NCc1ccc(N2CCC(O)CC2)cc1 1641201712 YTJQHWMXQGXHQG-UHFFFAOYSA-N 433.455 2.295 10 10 IECE CCO[C@@H]1C[C@@](O)(CNC(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)C1(C)C 1673472634 SRQKBQNATAFDQW-DYESRHJHSA-N 427.492 2.167 10 10 IECE C[C@]1(CNC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)OCCc2sccc21 1683126618 XODBZUWGAMBJRY-OAQYLSRUSA-N 449.598 2.270 10 10 IECE CCOCc1nnc(N2CCCOCC2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1747174156 AHPNQGCEFYFPDG-UHFFFAOYSA-N 429.565 2.298 10 10 IECE C[C@H]1COC(C)(C)CN1c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N(C)C)c(F)c1 1750357476 KQYQPLMFWCWYKI-WMLDXEAASA-N 430.528 2.486 10 10 IECE COC(=O)c1cccc(S(=O)(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)c1 768575835 NRIJABOEWXZFIY-UHFFFAOYSA-N 443.569 2.484 10 10 IECE COc1cc(N2CCN(C(=O)c3cnn(CC(F)(F)F)c3)CC2)cc(OC)c1OC 787270748 ZMLWBYGKDXEUQX-UHFFFAOYSA-N 428.411 2.434 10 10 IECE CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)=NO1 789976045 HCFRTPSGQHDGMG-IBGZPJMESA-N 446.548 2.181 10 10 IECE CC(C)CNS(=O)(=O)c1ccc(S(=O)(=O)NCc2ccc(N(C)C)cc2)cc1 814378976 ZNBHELHCYOJMBO-UHFFFAOYSA-N 425.576 2.165 10 10 IECE C[C@@H]1CN(c2ccc(CNC(=O)CCCCCCS(N)(=O)=O)cc2F)C[C@@H](C)O1 816891637 YXFRJNICXLESDC-HZPDHXFCSA-N 429.558 2.295 10 10 IECE CN(C)c1ccc([C@H](CNC(=O)c2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)N(C)C)cc1 1134681995 PNRSGGIZVICUNM-OFNKIYASSA-N 437.588 2.487 10 10 IECE CS(=O)(=O)[C@@H]1CCN(C(=O)CCN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)C1 1296939137 KINYPFRRPJGXGQ-MFYHJKBNSA-N 442.559 2.063 10 10 IECE COc1cccc([S@](=O)CC(=O)N2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)c1 1447445935 NKHMAGHDYLPQEU-WJOKGBTCSA-N 448.541 2.177 10 10 IECE CS(=O)(=O)Nc1ccc(O)c(C(=O)NC2CN(c3ccc(C(F)(F)F)cc3)C2)c1 1455942177 MLFNDFHSIHNCPO-UHFFFAOYSA-N 429.420 2.401 10 10 IECE CN(C)CCS(=O)(=O)c1ccccc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C 1456938637 XCGZBPXUQTXVQZ-NRFANRHFSA-N 446.617 2.121 10 10 IECE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)NCc2ccc3cccnc3c2O)C1=O 1469247523 BJXZLCVYKPPFLQ-DEOSSOPVSA-N 448.479 2.341 10 10 IECE COc1ccc(N2CCN(C(=O)CC3(Cn4cnnn4)CCCCC3)CC2)c(OC)c1 1534282718 IZPGLFOULHVNTC-UHFFFAOYSA-N 428.537 2.380 10 10 IECE CN1CCN(c2ccc(CNC(=O)c3nccn4c(Br)cnc34)cc2)CC1 1536523814 KRGUUTUKVOXRRP-UHFFFAOYSA-N 429.322 2.174 10 10 IECE C[C@@]12COC[C@H]1CN(C(=O)c1cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc1O)C2 1584609045 AJMAAZIFFQPDNP-ZUOKHONESA-N 447.469 2.210 10 10 IECE COc1ccc(C(=O)NC2=S=C(C(=O)Nc3cc(C)cc(S(C)(=O)=O)c3)C=C2)cc1 1596083936 ZFQWXZPFLLRIGT-UHFFFAOYSA-N 444.534 2.381 10 10 IECE NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3cc(Br)cnc3O)cc2)C1 1597004600 UHCVJFBIIGQGDB-CYBMUJFWSA-N 433.306 2.181 10 10 IECE CC(C)NC(=O)c1nnc(N2CCC(F)(F)C2)n1Cc1ccc(N2CCOCC2)cc1 1608405486 LPTOGDYKCGVARM-UHFFFAOYSA-N 434.491 2.147 10 10 IECE CC(C)N1C(=O)C[C@@H](NC(=O)CCN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)C1=O 1630398392 UQCZXPNXKZDCFH-UWZYDCLUSA-N 449.529 2.069 10 10 IECE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C 1676367364 HGLSCOIRQPLOQO-HSALFYBXSA-N 449.596 2.289 10 10 IECE CCC(CC)NC(=O)c1nnc(N(C)Cc2ccccc2O)n1CC[C@H]1COCCO1 1708706386 GWVHVAQAIHCRKK-SFHVURJKSA-N 431.537 2.344 10 10 IECE COc1ccc(N2CCN(c3nnc(-c4cnn(C)c4)n3C[C@H](C)OC)CC2)cc1F 1711866213 SOMOHCJRXRHFOJ-HNNXBMFYSA-N 429.500 2.188 10 10 IECE Cc1cc(-c2nnc(N3CCNC(=O)CC3)n2CCC(=O)N(C)C)c(C)n1-c1ccccc1 1751410864 YYOPWSMRJADYKR-UHFFFAOYSA-N 449.559 2.157 10 10 IECE CC[C@H](C)c1nnc(N2CCN(C)C(=O)C2)n1Cc1ccc(N2CCOCC2)c(F)c1 1763742132 YEKWFMJDXJZCDY-INIZCTEOSA-N 430.528 2.094 10 10 IECE CC[C@H](NC(=O)COc1ccccc1OC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862268490 SUZHTDVFHBFPBD-FQEVSTJZSA-N 441.528 2.326 10 10 IECE CC[C@H](C)N1C(=O)C(=Cc2c(NCCOCCO)nc3ccccn3c2=O)SC1=S 2040499448 YGKIEHRGXAWUEV-ZDUSSCGKSA-N 448.570 2.115 10 10 IECE 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COc1ccccc1CNC(=O)C1=C(N)Oc2c(c(C)nn2C)[C@@H]1c1ccc(O)c(O)c1 1864008962 VVTQMDZMMIJULD-IBGZPJMESA-N 436.468 2.159 10 10 IECE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3n[nH]c4c3CCCC4)C(C)C)CC2)cc1 1868765221 FSBXAPKLBDKPCI-NRFANRHFSA-N 439.560 2.400 10 10 IECE CCCc1nn2c(=O)cc(CSc3nc(-c4ccco4)nc4cc(=O)[nH]n34)nc2s1 20987023 RQVJUFXFZNKDDI-UHFFFAOYSA-N 441.498 2.387 10 10 IECE CCN(CC)C(=O)[C@@H]1CCCN1CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 743271573 BQSYLNVNJMMBJN-SPEDKVCISA-N 448.583 2.388 10 10 IECE CCOc1ccc(NC(=O)C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)cc1F 743431980 BMKOITYVSZKUMG-UHFFFAOYSA-N 444.507 2.110 10 10 IECE O=C(CCC(=O)c1ccc(F)c(F)c1)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 755197664 DHFOWPIRHVZVEG-UHFFFAOYSA-N 436.480 2.479 10 10 IECE O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O 790220539 YINMVQAFXVTJEY-FQEVSTJZSA-N 444.482 2.402 10 10 IECE COc1ccc(N2CC[C@@H](CNC(=O)CNS(=O)(=O)c3ccc(Cl)cc3)C2)cc1 1142797670 GFDIPTNVDTUTDO-HNNXBMFYSA-N 437.949 2.270 10 10 IECE CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc(-n2[nH]c(O)nc2=O)cc1 1149893128 PONOSGDZGGFUHV-UHFFFAOYSA-N 433.262 2.397 10 10 IECE COc1ccc(N2CCN(CCCNC(=O)[C@H]3C[C@H]3NC(=O)OC(C)(C)C)CC2)cc1 1264273777 QVODIBHBLQZKPT-VQTJNVASSA-N 432.565 2.237 10 10 IECE CCN(CC)c1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCN(C)C(=O)[C@H]2C)cc1 1295420152 MTUDRXFKDHICAX-IEBWSBKVSA-N 426.565 2.343 10 10 IECE Cc1cc(C(=O)CN2C(=O)NC3(CC(O)C3)C2=O)c(C)n1-c1ccc(Br)cc1 1307387917 ZQXOULZTJJAJRI-UHFFFAOYSA-N 446.301 2.485 10 10 IECE COc1ccc(N2CC[C@H](CNC(=O)N(C)CCN3C(=O)c4ccccc4C3=O)C2)cc1 1312902814 PKPIPJLRSPUNBI-QGZVFWFLSA-N 436.512 2.459 10 10 IECE COc1ccc(N2CCN(CCCNC(=O)[C@@]3([C@@H]4CCCCO4)CCCO3)CC2)cc1 1356065523 NZIMAMWYRNKNRQ-UPVQGACJSA-N 431.577 2.442 10 10 IECE COC(=O)/C=C/c1ccc(N2CCC[C@@H](C(=O)N[C@@H]3CCC[C@H](O)C3)C2)c([N+](=O)[O-])c1 1458575901 APMGQRXVSDBEMX-VVJKXFFBSA-N 431.489 2.417 10 10 IECE COCC(COC)N1CCN(C(=O)Cn2c3c(c4cc(OC)ccc42)CCCC3)CC1 1528440380 PAWVNJHOIPPCQF-UHFFFAOYSA-N 429.561 2.334 10 10 IECE COc1ccc2c(c1)c1c(n2CC(=O)N[C@@H]2CCC[C@@H]2CNS(C)(=O)=O)CCCC1 1556316679 GTIRWNPCEVVLRJ-DNVCBOLYSA-N 433.574 2.363 10 10 IECE COc1ccc(N2CC[C@H](CNC(=O)c3nc(S(C)(=O)=O)n4ccccc34)C2)cc1 1585665621 UWZNIUJXTGGMFW-OAHLLOKOSA-N 428.514 2.003 10 10 IECE CCS(=O)(=O)c1ccc(CCC(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1 1598277233 MUFDWFMBNHGDSU-UHFFFAOYSA-N 429.586 2.481 10 10 IECE Cn1cc(NC(=O)CCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)cc1C(N)=O 1635994743 DGBNETINXIKGGF-NVNXTCNLSA-N 432.502 2.493 10 10 IECE COC(=O)[C@]12C[C@H]1CCCN2CC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 1660280316 VRHHSLGGONNPTE-JMDDDVKNSA-N 433.524 2.083 10 10 IECE NC(=O)C1CCN(c2ccc(CNC(=O)NC[C@]3(O)CCCc4ccccc43)cc2)CC1 1685244524 SBUUDGBIXABCIX-RUZDIDTESA-N 436.556 2.412 10 10 IECE CN1CCN(c2ccc(CNC(=O)NCc3ccc(N4CCCNC4=O)cc3)cc2)CC1 1687179335 BUHILETXFAIPSB-UHFFFAOYSA-N 436.560 2.358 10 10 IECE CCc1nnc(N2CCN(CC(=O)NC(C)C)CC2)n1Cc1ccc(N(CC)CC)cc1 1709145325 TYUCEHNVWQZNHP-UHFFFAOYSA-N 441.624 2.382 10 10 IECE CCOCc1nnc(N2CCN3C(=O)OC[C@@]3(C)C2)n1CCCSc1nccs1 1766421090 DPLBSQMJCCTQAW-GOSISDBHSA-N 438.579 2.484 10 10 IECE CN(CCn1c(CN2CCCC2=O)nnc1N(C)Cc1ccccc1O)CC(F)(F)F 1768923752 AIMLTWNSYBGLAN-UHFFFAOYSA-N 440.470 2.237 10 10 IECE CC[C@H](C(=O)OC)N1C(=O)/C(=C2\SC(=S)N(CCC(=O)O)C2=O)c2ccccc21 1860826139 AXXXGZIWYIZWBM-PHIZWAGYSA-N 434.495 2.031 10 10 IECE Cc1ccc(CNC(=O)[C@@H](CCC(N)=O)NC(=O)OC(C)(C)C)c(O)c1Br 2380753912 KWFPOFVCKPYJRN-GFCCVEGCSA-N 444.326 2.238 10 10 IECE CCOC(=O)Oc1ccc(C(=O)N2CCCN(C(=O)c3cc(O)c(O)c(O)c3)CC2)cc1 169843786 NZUDTJYQBMMFMO-UHFFFAOYSA-N 444.440 2.327 10 10 IECE COC(=O)[C@H]1CCN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c2ccccc21 759275740 OMSQJXXPCLWMAV-IBGZPJMESA-N 441.503 2.445 10 10 IECE CC[C@H]1C(=O)N(CC)CCN1C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 779656996 QTXNUHWQXKUQRP-QFIPXVFZSA-N 427.593 2.371 10 10 IECE C[C@@H](NC(=O)C1=NO[C@H](CNC(=O)OC(C)(C)C)C1)c1ccc(N2CCOCC2)cc1 798933373 OXSOAFJZAKLAFP-QAPCUYQASA-N 432.521 2.370 10 10 IECE CC1(C)CN(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCS1(=O)=O 813085423 FYUHISPTIMZIHB-CQSZACIVSA-N 431.505 2.475 10 10 IECE COC(=O)C12CCC(C(=O)NCCN3CCN(c4ccc(OC)cc4)CC3)(CC1)CC2 814642467 GRDFEYAKMVSDQO-UHFFFAOYSA-N 429.561 2.447 10 10 IECE CCS(=O)(=O)c1ccc(S(=O)(=O)N2CCCN(c3ccc(OC)cc3)CC2)cc1 917759060 ARECFIHHIGDJIB-UHFFFAOYSA-N 438.571 2.390 10 10 IECE O=C(CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)N[C@@H]1CC(=O)N(C2CC2)C1 1137246408 BYOSJIIBRHPQQZ-BRYYZUPOSA-N 433.530 2.297 10 10 IECE CCN(Cc1cc(Br)ccc1O)C(=O)[C@H](CO)NC(=O)c1ccc(F)cc1 1137350466 NSYOMIOJMJBRMR-INIZCTEOSA-N 439.281 2.433 10 10 IECE CC(=O)N1CCC[C@H](Cn2c(C(=O)NC(C)C)nnc2N(C)Cc2ccccc2O)C1 1286855473 BWBLDGWPBPGIDY-KRWDZBQOSA-N 428.537 2.017 10 10 IECE COC(=O)[C@H]1CN(C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)C[C@@H]1C(=O)OC 1313100148 JCNYKZFLXGCOCD-PMACEKPBSA-N 427.501 2.240 10 10 IECE O=C(c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O)N1CC[C@]12CCOC2 1451674974 AHOZAQUKTHSLRO-LJQANCHMSA-N 433.442 2.106 10 10 IECE O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@H](O)[C@@H](O)c1nc2ccccc2[nH]1 1464694320 KKIFHCLBXQBSTC-RTBURBONSA-N 446.454 2.344 10 10 IECE O=C(CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)N[C@@H](CO)C1CCOCC1 1467612152 ILNAYBFQFROICG-KTZOAPACSA-N 438.546 2.321 10 10 IECE O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)NC[C@H](O)COc1ccc(F)cc1 1470449649 XLKGBKRKLSNVNJ-INIZCTEOSA-N 439.434 2.180 10 10 IECE CCN(CC)c1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@H](OC)C2)cc1 1501840430 GMGAEXNALNSDCN-QUCCMNQESA-N 447.605 2.300 10 10 IECE CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2c3c(nn2C)CCS(=O)(=O)C3)cc1 1524937476 RCZRDMAFBCXUAQ-UHFFFAOYSA-N 442.541 2.393 10 10 IECE COc1ccc(C2=NO[C@H](CNC(=O)NCc3ccc(N4CCN(C)CC4)cc3)C2)cc1 1564634760 SNRLIMFDGBSKBH-QFIPXVFZSA-N 437.544 2.439 10 10 IECE COc1ccc(N2CCN(C(=O)CS(=O)(=O)CCCc3ccccc3)CC2)c(OC)c1 1623759703 LDLMQUMXKXZUGO-UHFFFAOYSA-N 446.569 2.400 10 10 IECE O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)NCc1ncn(-c2ccccc2)n1 1635645214 IYDGYQHGAOHGKD-UHFFFAOYSA-N 428.443 2.382 10 10 IECE COc1ccc(N2CCN(C[C@@H](O)CN3CCN(c4ccc(F)cc4F)CC3)CC2)cc1 1648066721 DULAVGUXSJEHGE-OAQYLSRUSA-N 446.542 2.279 10 10 IECE Cc1cc(C(=O)NCCc2nnc3n2CCN(C)C3=O)c(C)n1-c1cccc(Cl)c1 1651256489 KRQLLHMUYKIMKM-UHFFFAOYSA-N 426.908 2.397 10 10 IECE C[C@@H](CNC(=O)OC(C)(C)C)N(C)C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1684170031 YWYLIXOGNASALK-INIZCTEOSA-N 447.580 2.443 10 10 IECE CC[C@H]1C(=O)NCCN1c1nnc(C(C)C)n1Cc1ccc(N2CCC(CO)CC2)cc1 1727648649 UTKMLWXQVAWFDS-NRFANRHFSA-N 440.592 2.373 10 10 IECE CCOCc1nnc(N2CCO[C@@H](c3nnc(C)o3)C2)n1Cc1ccc(N(C)C)c(F)c1 1747231715 ZCRHHTDXUMFDMR-GOSISDBHSA-N 445.499 2.337 10 10 IECE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2CCCSc2nccs2)CCO1 1750018138 PWSGJWSGUBSNJN-OAHLLOKOSA-N 447.590 2.253 10 10 IECE COCCN1CCN(c2nnc(-c3ccc[nH]3)n2CCCSc2nccs2)CC1=O 1771140592 ORJAKMWIPQTIPG-UHFFFAOYSA-N 447.590 2.207 10 10 IECE O=C(Cn1ccc2c(cnc3ccnn32)c1=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874179427 DLFWBTMYNQTCMK-UHFFFAOYSA-N 449.426 2.458 10 10 IECE O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCOC[C@@H]1C[C@H](O)c1ccco1 756686420 QQYDJMFYBCFMEA-PXNSSMCTSA-N 433.480 2.289 10 10 IECE O=C(CN1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1)Nc1ccccc1Cl 757509734 ZIFLRKKKKWWZIR-UHFFFAOYSA-N 445.863 2.340 10 10 IECE CNS(=O)(=O)c1cccc([C@H](C)NCCN2CCN(c3ccc(OC)cc3)CC2)c1 765399976 BTSKOACJKVLDCN-SFHVURJKSA-N 432.590 2.076 10 10 IECE C[C@H]1CN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CCN1CCO 779309227 CDWWAILHKURUJV-QXPQOBGOSA-N 439.628 2.255 10 10 IECE Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NCc1cc(Br)ccc1O 796191431 UAEQYJGLKCJITD-UHFFFAOYSA-N 434.333 2.345 10 10 IECE CCC[C@H]1CN(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)CCN1CCOC 1251105898 XSIBJWITVUTXNX-QFIPXVFZSA-N 445.608 2.031 10 10 IECE CC1CCN(CCn2c(CN3CCCC3=O)nnc2N(C)Cc2ccccc2O)CC1 1291185937 UVIBVDBQFLRVEI-UHFFFAOYSA-N 426.565 2.474 10 10 IECE CN(C)c1ccc([C@@H](CNC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)N(C)C)cc1 1313413052 LUDNETOSTMKCDK-HXUWFJFHSA-N 441.536 2.190 10 10 IECE O=C(NCCCNC(=O)c1cccs1)NCc1cc(F)c(N2CCOCC2)c(F)c1 1478786409 OQVMFTSGCVMLOO-UHFFFAOYSA-N 438.500 2.482 10 10 IECE CC(C)CC(=O)N1CCCC[C@@H]1C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 1526260094 RWHFQPQGALKILZ-PZJWPPBQSA-N 428.577 2.432 10 10 IECE Cc1ccc(S(=O)(=O)N[C@H](C(=O)N(C)Cc2ccc(N3CCCC3)cc2)[C@H](C)O)cc1 1540486786 BEAOAPMKFQFCSD-AVRDEDQJSA-N 445.585 2.282 10 10 IECE CCNC(=O)N1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(N(C)C)c(F)c2)CC1 1547772198 LZOLIEFLGIUTLK-UHFFFAOYSA-N 440.527 2.378 10 10 IECE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@]1(C)CCCN1C(=O)OC(C)(C)C 1556102439 FYPFNPQVWXFERY-OYHNWAKOSA-N 436.505 2.478 10 10 IECE O=C(NCc1c(O)ccc2ccccc12)[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 1597736373 FLRGEJJCSLYJGJ-BHIYHBOVSA-N 444.553 2.271 10 10 IECE CN(C)c1ccc([C@H](CNC(=O)C[C@H]2CCCS2(=O)=O)NC(=O)OC(C)(C)C)cc1 1628491499 PDOKGUGBBSELGR-MSOLQXFVSA-N 439.578 2.402 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C\C(=O)NC[Si](C)(C)c3ccccc3)CC2)cc1 1633739991 UWUWHBBBXQEFSG-YPKPFQOOSA-N 437.616 2.171 10 10 IECE COc1ccc(N2CCN(C[C@H](O)CN3CCC[C@](O)(c4ccccc4)C3)CC2)cc1 1659446528 ZSRPRCNUWQFJPZ-UKILVPOCSA-N 425.573 2.162 10 10 IECE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(C3CCC3)n2Cc2ccc(N(C)C)cc2C)C1 1695950352 GWVZWNNDQBDWPW-HXUWFJFHSA-N 446.621 2.486 10 10 IECE COC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(N(C)C)cc2C)CC1 1729795255 BHFCFHMBSFYLFM-GOSISDBHSA-N 428.537 2.093 10 10 IECE CN(Cc1ccccc1O)c1nnc(Cc2ccccn2)n1CC1CCS(=O)(=O)CC1 1747753017 ARFQXHKMSMXBAV-UHFFFAOYSA-N 441.557 2.431 10 10 IECE COc1ccc(N2CCCN(c3nnc(-c4cccnc4)n3CC(=O)N(C)C)CC2)cc1 1748848113 UTNVMWHZZJXAHD-UHFFFAOYSA-N 435.532 2.154 10 10 IECE CCOCc1nnc(N2CCO[C@H](CC)C2)n1Cc1ccc(N2CCOCC2)c(F)c1 1766438358 UOQIOTDSUASWEL-GOSISDBHSA-N 433.528 2.454 10 10 IECE CN(Cc1cnn(C)c1)c1nnc([C@H]2CCC(=O)N2)n1CCCSc1nccs1 1768702778 PYFKLYVJQSZLLN-CQSZACIVSA-N 432.579 2.238 10 10 IECE COC(=O)c1c(NC(=O)C(=O)N[C@@H](C(=O)O)[C@@H](C)O)sc(C)c1-c1ccc(C)c(C)c1 1860760678 CSMFORXSPBUCGV-BDJLRTHQSA-N 448.497 2.016 10 10 IECE COc1ccc(N2CCN(C(=O)c3cccc(NC(=O)N4CCN(C)CC4)c3)CC2)cc1 1873831556 SYTIFQAUBRRQAA-UHFFFAOYSA-N 437.544 2.437 10 10 IECE O=C(N[C@H](CS(=O)(=O)Nc1ccc(O)cc1Cl)C(=O)O)OCc1ccccc1 2258171784 FTTACCWSTAWPRD-OAHLLOKOSA-N 428.850 2.167 10 10 IECE CCNC(=O)N(C)CC(=O)N1N=C(c2cccn2C)C[C@H]1c1cc(OC)ccc1OC 35964018 UUNJOVBIADIECT-IBGZPJMESA-N 427.505 2.381 10 10 IECE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 742050399 GUWYPSDZUOGCCK-PMACEKPBSA-N 442.537 2.113 10 10 IECE COC(=O)c1csc(S(=O)(=O)N2CCN(Cc3cc(C)cc(OC)c3O)CC2)c1 748296224 NBNKLERTRVBICE-UHFFFAOYSA-N 440.543 2.064 10 10 IECE CN(CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)CC(C)(C)S(C)(=O)=O 764447055 VBEFZDVSBOQMLC-UHFFFAOYSA-N 428.510 2.156 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C\C(=O)NCCCc3c(C)noc3C)CC2)cc1 778316622 KSZOHUPETHSTGK-KHPPLWFESA-N 426.517 2.254 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NC3(C(=O)Nc4ccccc4)CC3)CC2)cc1 779351728 MLYHFUWOJBZLFZ-VAWYXSNFSA-N 448.523 2.188 10 10 IECE 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COc1ccc2c(c1)c1c(n2CC(=O)Nc2nnc(NS(C)(=O)=O)s2)CCCC1 1142063448 SJFUQYIQNHNDRR-UHFFFAOYSA-N 435.531 2.390 10 10 IECE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)C=C(C3CC3)C3CC3)CC2)cc1 1165639919 YHWXJZNAELXNKB-UHFFFAOYSA-N 433.574 2.010 10 10 IECE CC(C)NC(=O)c1nnc(N2CCN(C3CCC3)CC2)n1Cc1ccc(N(C)C)c(F)c1 1288160702 RBRKKOGTZOOMPB-UHFFFAOYSA-N 443.571 2.344 10 10 IECE C[C@@H](Sc1nc(CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cs1)C(N)=O 1289602979 ZQQRTNJPPGRRTL-DYVFJYSZSA-N 435.619 2.137 10 10 IECE CCOC(=O)CN(Cc1ccccc1O)C(=O)CC[S@](=O)c1ccc2c(c1)OCCO2 1299699597 SWEUUYPIWJFXDI-HKBQPEDESA-N 447.509 2.253 10 10 IECE O=C(Cn1ccc(Br)cc1=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 1465422680 JEJBKEBUGBOCAI-UHFFFAOYSA-N 438.297 2.027 10 10 IECE COc1ccc(N2CC[C@H](NC(=O)c3cc(I)nn3C)C2)cc1 1532104480 COJFLLSMDKORIV-NSHDSACASA-N 426.258 2.042 10 10 IECE CC(C)NC(=O)c1nnc(N(C)Cc2cnccn2)n1Cc1ccc2c(c1)CCCN2C 1608250788 BZNRRCLORIVDNP-UHFFFAOYSA-N 434.548 2.273 10 10 IECE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cc(F)c(F)cc1[N+](=O)[O-] 1617144113 ZZIFTZKEAWHMGU-UHFFFAOYSA-N 425.413 2.038 10 10 IECE CN(C)C(=O)CCn1c(CC2CC2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1617603096 OSRJVDNJMUTSKZ-UHFFFAOYSA-N 426.565 2.182 10 10 IECE CN(C)c1ccc([C@@H](CNC(=O)/C=C\CN2CCOCC2)NC(=O)OC(C)(C)C)cc1 1618252775 GUISHLVDZIUHMO-PXDRNWIDSA-N 432.565 2.323 10 10 IECE CNC(=O)[C@H](C)CN(C)c1nnc([C@H]2CCOC2)n1Cc1ccc2c(c1)CCCN2C 1618557860 XQEMJDHFKUFQAC-APWZRJJASA-N 426.565 2.031 10 10 IECE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCN(Cc1ccccc1)C(C)=O 1624658149 ASGICKJYJAEJBZ-IBGZPJMESA-N 428.485 2.127 10 10 IECE CC(C)(C)OC(=O)N1CC[C@@]2(NC(=O)c3cc(NS(C)(=O)=O)ccc3O)CCC[C@H]12 1637486275 GIONZLXLBYORCN-JXFKEZNVSA-N 439.534 2.426 10 10 IECE Cc1ncc(S(N)(=O)=O)cc1C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F 1640368961 WZKUNMRWBPLRTA-UHFFFAOYSA-N 430.452 2.308 10 10 IECE Cc1cc(CN2CCCN(C(=O)NCc3ccc(N4CCN(C)CC4)cc3)CC2)no1 1675580563 QOMMCTZSMJTETA-UHFFFAOYSA-N 426.565 2.152 10 10 IECE CCOC(OCC)[C@@H](C)NC(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 1685830223 SNSIPSJYSRDJEJ-OAHLLOKOSA-N 425.526 2.332 10 10 IECE CCc1nnc(N2CCN(c3ccc(OC)c(F)c3)CC2)n1C[C@@H]1CCCN1CCCO 1694734488 HMTNATBOOJZXQC-IBGZPJMESA-N 446.571 2.162 10 10 IECE COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(C)n2Cc2ccc3c(c2)CCCN3C)C1 1698102695 SZBPQTZPCOHUHO-LAUBAEHRSA-N 440.592 2.385 10 10 IECE COc1ccccc1N1C(=O)NC(=O)C(=CNC2CCN(Cc3ccccc3)CC2)C1=O 2296173545 NAHHIUHCXWMYMH-UHFFFAOYSA-N 434.496 2.416 10 10 IECE O=C(O)CNC(=O)CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S 15038301 FREIHPZQSYBOFN-XFFZJAGNSA-N 429.317 2.241 10 10 IECE CC(C)CN1C(=O)/C(=C\c2c(N3CCOCC3)nc3ccccn3c2=O)SC1=S 33333779 OPJQMWLAAYPKIV-RVDMUPIBSA-N 430.555 2.388 10 10 IECE CN(C)c1ccc([C@@H]2CC(c3c(O)[nH]c(=O)n(-c4cccc(Cl)c4)c3=O)=NN2)cc1 101763119 QKXUDWLDALWUCY-INIZCTEOSA-N 425.876 2.390 10 10 IECE Nc1ccc(N(CC(=O)Nc2cc(Cl)ccc2Cl)[C@@H]2CS(=O)(=O)C[C@H]2O)cc1 583926625 NEOQIOFFHVVLGR-IAGOWNOFSA-N 444.340 2.179 10 10 IECE CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)CCC(=O)N1CCOc2ccccc21 731736698 KJBXAKJLGGJESJ-UHFFFAOYSA-N 439.512 2.460 10 10 IECE O=C(c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O)N1C[C@@H]2CC[C@H](C1)O2 769936181 WKGHYHUMRJQIHA-GASCZTMLSA-N 433.442 2.105 10 10 IECE CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 1124623250 YKDYRFRLGAGUTP-UHFFFAOYSA-N 433.530 2.173 10 10 IECE COc1ccc(N2CCN(C(=O)[C@@H](C)[C@H](O)CN(C)C(=O)OC(C)(C)C)CC2)cc1F 1137422804 JRTFGKLSRJPZGG-MAUKXSAKSA-N 439.528 2.347 10 10 IECE COc1ccc(N2CC[C@H](NC(=O)c3ccc4c(c3)S(=O)(=O)N(C(C)C)C4=O)C2)cc1 1278861035 FJNOJLMOQPLOPA-INIZCTEOSA-N 443.525 2.257 10 10 IECE CC(=O)NCCCn1c(N(C)Cc2ccccc2O)nnc1[C@@]1(OC(C)C)CCOC1 1286955158 MRYPSMQBGNPZTG-JOCHJYFZSA-N 431.537 2.187 10 10 IECE Cc1coc(C)c1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccccc1O 1290303475 CIVFGQAGPLKMHQ-CQSZACIVSA-N 433.534 2.488 10 10 IECE COC(=O)NC1CCN(C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)CC1 1301415855 JPRGLHJNHXOATQ-UHFFFAOYSA-N 439.515 2.215 10 10 IECE NC(=O)C1CCN(c2ccc(CNC(=O)CCn3sc4ccccc4c3=O)cc2)CC1 1303723004 MFBSJSSZNAZWEG-UHFFFAOYSA-N 438.553 2.471 10 10 IECE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cn(CCCCNC(=O)OC(C)(C)C)nn1 1447559220 BJGOYTZVVVFRGM-AWEZNQCLSA-N 433.509 2.355 10 10 IECE COc1cc(CCC(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)on1 1517864106 MNFRVXAMQPAYGH-UHFFFAOYSA-N 440.479 2.188 10 10 IECE COC(=O)[C@H]1CCN(C(=O)Cn2c3c(c4cc(OC)ccc42)CCCC3)[C@@H](C(=O)OC)C1 1519756365 VOKYWDZPWGJNMO-YCRPNKLZSA-N 442.512 2.482 10 10 IECE Cc1cc(N(C)C)ccc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(C)C)CC1 1542224495 IZPYNNQUEAQUEB-UHFFFAOYSA-N 427.597 2.369 10 10 IECE Cc1cc(N(C)C)ccc1Cn1c([C@H]2CCCOC2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1542227088 SIDVRLMTFGRXAJ-HKUYNNGSSA-N 449.621 2.464 10 10 IECE C[C@H]1CN(CCNC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)[C@@H](C)CO1 1584191067 OWTQFIAKFFRJED-KBPBESRZSA-N 439.559 2.094 10 10 IECE COC(=O)/C=C1/SCC(=O)N1CCCN(CC(=O)OC)Cc1cc(Cl)ccc1O 1615935494 NRRGGUCTTSRHPT-RQZCQDPDSA-N 442.921 2.001 10 10 IECE COc1ccc(N2CCN(CC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])CC2)c(OC)c1 1620515290 GPGQCIXPXLETIN-UHFFFAOYSA-N 430.461 2.381 10 10 IECE Cc1cc(N(C)C)ccc1Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](C(N)=O)C1 1693006436 YZPJBGHCYAQTHZ-RBUKOAKNSA-N 426.565 2.297 10 10 IECE CN(C)c1ccc(Cn2c([C@H]3CCCO3)nnc2N(C)CCCS(C)(=O)=O)cc1F 1711006064 QZTKHLAXLYXAJV-GOSISDBHSA-N 439.557 2.254 10 10 IECE CC[S@@](=O)CCn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccc(N2CCCC2)cc1 1729228289 LBOOKDMSASLBET-WJOKGBTCSA-N 446.621 2.422 10 10 IECE CC(=O)NC[C@H]1CCCN(c2nnc(C)n2Cc2ccc(N3CCC(CO)CC3)cc2)C1 1749972091 BFEWSVVHCBJOTJ-JOCHJYFZSA-N 440.592 2.196 10 10 IECE Cc1cc(N(C)C)ccc1Cn1c(Cc2ccccn2)nnc1N1CCN(C)C(=O)[C@H]1C 1751433147 UHUUERHVIXZPSU-GOSISDBHSA-N 433.560 2.354 10 10 IECE Cc1cc(N(C)C)ccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CC(F)(F)F 1761698123 RPGRRJBMYKEYEK-ZDUSSCGKSA-N 448.515 2.310 10 10 IECE CCN(C)C(=O)Cn1c(CC2CC2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1764692866 FBMGMOFYYMHXJX-UHFFFAOYSA-N 426.565 2.434 10 10 IECE COc1ccc(N2CCN(C(=O)[C@H]3CCN(S(=O)(=O)c4cccs4)C3)CC2)cc1 1858403823 BLFODTPINUDTRS-INIZCTEOSA-N 435.571 2.116 10 10 IECE O=C(CCN1C(=O)C(=Cc2ccccc2Cl)SC1=S)N[C@H]1CCS(=O)(=O)C1 2296550417 RBESGAKGOWEJMS-LBPRGKRZSA-N 444.987 2.235 10 10 IECE CCOc1ccc(C=C2C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc1C(=O)O 2313630470 LRVNIEAWGYDPTI-UHFFFAOYSA-N 438.392 2.237 10 10 IECE CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(CCCCCCNC(N)=O)C2=O)cc1 33886884 INBMMJDYSREKKW-OBGWFSINSA-N 429.521 2.223 10 10 IECE CC(C)N1CCc2c(c3ccccc3n2CC(=O)OCCN2C(=O)NC(C)(C)C2=O)C1 769663792 SRFRRBKCESTEDP-UHFFFAOYSA-N 426.517 2.281 10 10 IECE CCOC(=O)c1cnn2c(O)cc(CN3CCC(C(=O)NCc4ccccc4)CC3)nc12 917059885 PCLKFNYCLJZHNJ-UHFFFAOYSA-N 437.500 2.140 10 10 IECE CN(C)c1ccc([C@@H](CNC(=O)c2ccc(Cn3cnc([N+](=O)[O-])n3)cc2)N(C)C)cc1 1134882815 VCUKUCNPNGFQHV-HXUWFJFHSA-N 437.504 2.333 10 10 IECE CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CCCn2cnc3c(N)ncnc32)cc1 1136480764 WRKKNXFTNJOHAL-IBGZPJMESA-N 437.548 2.463 10 10 IECE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)C3(C)CCC(C)CC3)CC2)cc1 1278549306 QZVIZSUUBCKZHG-UHFFFAOYSA-N 437.606 2.480 10 10 IECE CO[C@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(N(C)C)cc2C)C1 1300775092 UVFQYSOMHDFJRK-ICSRJNTNSA-N 447.605 2.218 10 10 IECE CN1CCN(Cc2cccc(C(=O)NCc3ccc(N4CCC(C(N)=O)CC4)cc3)c2)CC1 1303720301 BJCYYMSEXOFTKT-UHFFFAOYSA-N 449.599 2.066 10 10 IECE CCc1nnc(N(C)Cc2ccc(N3CCCC3)cc2)n1CCS(=O)(=O)NC(C)C 1306078644 ZUVNEYZAFKUYPG-UHFFFAOYSA-N 434.610 2.405 10 10 IECE COc1ccc(N2CCN(C[C@@H](O)CN3CCOC[C@@H]3c3ccc(F)cc3)CC2)cc1 1307772283 BOYGNJQMSHKYCM-ISKFKSNPSA-N 429.536 2.391 10 10 IECE COc1ccc(N2CCN(CCCNC(=O)c3ccn(CC(F)(F)F)n3)CC2)cc1 1350977238 VBNYXYWADXIKSC-UHFFFAOYSA-N 425.455 2.396 10 10 IECE COc1ccc(N(C)CCN(C)CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1 1460332575 AWZWTVBIZPUAEG-UHFFFAOYSA-N 444.551 2.355 10 10 IECE CCOCCn1c(-c2cnccn2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1516735385 PCOJWJXIFDXUPK-UHFFFAOYSA-N 427.484 2.246 10 10 IECE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@H]1CS(=O)(=O)Cc2ccccc21 1674630231 BSFFPBMZVKNGQG-NRFANRHFSA-N 429.542 2.334 10 10 IECE CN1CCN(c2ccc(CNC(=O)NCc3ccc(N4CCN(C)CC4)cc3)cc2)CC1 1684878109 NKURIELDGMXJPE-UHFFFAOYSA-N 436.604 2.190 10 10 IECE CC(C)Cc1nnc(N2CC(=O)N(C)C[C@H]2C)n1Cc1ccc(N2CCOCC2)cc1 1761005375 WAJWCARKLRBYNA-GOSISDBHSA-N 426.565 2.028 10 10 IECE CNC(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1767805084 PBTSSCXAGYLCAR-GOSISDBHSA-N 442.564 2.034 10 10 IECE Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(CCNC(=O)c3ccncc3)cc2)cc1 1859005917 UZXVCKPOOUPULD-UHFFFAOYSA-N 440.481 2.114 10 10 IECE O=C1C(=CNCCN2CCNCC2)C(c2ccccc2)=NN1c1nc2ccccc2s1 2293320762 OSGKIUAMHPDLLX-UHFFFAOYSA-N 432.553 2.426 10 10 IECE CCCCn1c(N2CCOCC2)c(/C=C2\SC(=S)N(C)C2=O)c(C)c(C#N)c1=O 39990287 VYRVAFBQQMFSND-WJDWOHSUSA-N 432.571 2.496 10 10 IECE Cc1nn(C)c(C)c1NC(=O)COC(=O)c1ccc2c(c1N)C(=O)c1ccccc1C2=O 745885084 OTRHOSLFEKVKFW-UHFFFAOYSA-N 432.436 2.190 10 10 IECE COc1ccc(N2CCN(C(=O)CN(C)S(=O)(=O)c3ccc(C)c(C)c3)CC2)cc1F 753742575 RBZCULSLDWYMDH-UHFFFAOYSA-N 449.548 2.420 10 10 IECE O=S1(=O)CCN(c2cccc(NS(=O)(=O)c3cccnc3C(F)(F)F)c2)CC1 808090200 SXUNMNGRZCRKMH-UHFFFAOYSA-N 435.449 2.136 10 10 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CCN(CC)c1ccc(Cn2c(C)nnc2N2CCN(c3ncccc3C(N)=O)CC2)cc1 1295409335 CVOALAJGJHQEIM-UHFFFAOYSA-N 448.575 2.302 10 10 IECE COc1ccc(N2CCN(CCNS(=O)(=O)c3ccc4nc(C)oc4c3)CC2)cc1 1324434677 BFIFZWNHIFBQNX-UHFFFAOYSA-N 430.530 2.245 10 10 IECE COc1ccc(N2CCN(CCCNC(=O)c3nn(C4CCOCC4)cc3C)CC2)cc1 1356063831 DRNVZYCXHMDEGP-UHFFFAOYSA-N 441.576 2.494 10 10 IECE COc1ccc(N2CC[C@@H](CNC(=O)NC[C@@H]3COCCN3C(=O)OC(C)(C)C)C2)cc1 1470592313 BZSMMBGSQRECFE-PKOBYXMFSA-N 448.564 2.457 10 10 IECE CNC(=O)[C@@H](C)CN(C)c1nnc(CC2CC2)n1Cc1ccc(N2CCOCC2)c(F)c1 1503717830 JPBBAKWBXCFEII-INIZCTEOSA-N 444.555 2.073 10 10 IECE CC(=O)N1CCN(c2nnc(C(C)C)n2Cc2ccc(N3CCOCC3)c(F)c2)[C@@H](C)C1 1508236714 OAIMQAIDNBNSPT-KRWDZBQOSA-N 444.555 2.483 10 10 IECE CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)Cn1c2c(c3cc(OC)ccc31)CCCC2 1538606649 ZLGMTMSKJKZVOF-GJZGRUSLSA-N 429.517 2.101 10 10 IECE Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NCCCn2nc3n(c2=O)CCCC3)cc1 1543124866 UPUUMQKBKFJRRJ-UHFFFAOYSA-N 435.528 2.350 10 10 IECE CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CN2CCCC3(CC3)S2(=O)=O)cc1 1583924022 MUPFIOXIVYPKGI-HXUWFJFHSA-N 435.590 2.218 10 10 IECE CC[C@@H](C)c1nnc(N2CC(=O)N(C)C[C@@H]2C)n1Cc1ccc(N2CCOCC2)c(F)c1 1613198154 QWZSEIQHIWXEBE-SJORKVTESA-N 444.555 2.483 10 10 IECE CN(C)c1ccc([C@H](CNC(=O)CN2C(=O)N[C@]3(CCCC(C)(C)C3)C2=O)N(C)C)cc1 1618642800 IXCNXARNSOVMRI-CYFREDJKSA-N 443.592 2.362 10 10 IECE O=C(N[C@@H]1CCN(CC(F)F)C1)c1cc(NS(=O)(=O)c2cccs2)ccc1O 1626741091 CCCOPYPTMGNNCL-GFCCVEGCSA-N 431.486 2.324 10 10 IECE COCCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)cc1 1630180600 ODGGKPRHWLKSLN-QGZVFWFLSA-N 433.574 2.347 10 10 IECE C[C@@H](N[C@H](C)c1ccccc1O)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 1648053975 LFLBZJYNWUNAFF-HZPDHXFCSA-N 433.530 2.091 10 10 IECE CN(C)c1ccc([C@H](CNC(=O)N2CCC[C@@H](CNC(=O)C(F)(F)F)C2)N(C)C)cc1 1676653642 SXGOWKQUSPXHJT-YJBOKZPZSA-N 443.514 2.455 10 10 IECE COc1ccc(COCCNC(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)cc1 1680901353 UGRKUORIDQRYCS-UHFFFAOYSA-N 440.544 2.413 10 10 IECE CN(Cc1ccccc1O)c1nnc(Cc2ccsc2)n1CCC[C@@H]1NC(=O)NC1=O 1729420155 INHKFYHJGNMOCX-INIZCTEOSA-N 440.529 2.261 10 10 IECE CN(Cc1ccccc1O)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CCC1 1729420357 OFAMKSHNBOSBSA-GOSISDBHSA-N 449.577 2.143 10 10 IECE Cc1cc(N(C)C)ccc1Cn1c([C@H]2CCCO2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1742142198 UZHYZXIXDYXLGX-VQIMIIECSA-N 435.594 2.422 10 10 IECE CCN1CCN([C@@H](C)Cn2c([C@H]3CCCO3)nnc2N(C)Cc2ccccc2O)CC1 1746440758 JZSMQIJWFMFGTQ-GHTZIAJQSA-N 428.581 2.498 10 10 IECE CS(=O)(=O)NC1CCN(c2nnc(C3CC3)n2CCCSc2nccs2)CC1 1771364058 YZKXFXKHYNXPEH-UHFFFAOYSA-N 442.636 2.312 10 10 IECE CCCn1nc(C)c2c1OC(N)=C(C(=O)NCCOC(C)C)[C@@H]2c1ccc(O)c(O)c1 1864010496 UUAIXMGTLRPCOT-GOSISDBHSA-N 430.505 2.249 10 10 IECE CN(C)c1ccc(/C=C/C=C2\C(=O)N(c3ccc(S(=O)(=O)O)cc3)N=C2C(=O)O)cc1 3604115 JCWQVDRTYMFYBR-ONCSWLTESA-N 441.465 2.426 10 10 IECE COc1ccc(N2CCN(CCNS(=O)(=O)c3c(Cl)nc4ccccn34)CC2)cc1 732923173 RCFUIROXPANJMH-UHFFFAOYSA-N 449.964 2.097 10 10 IECE Cc1nccc(Cn2c(=CC(=O)C3CC3)sc(=Cc3ccc4c(c3)CCCN4C)c2=O)n1 794893812 AJCBIQBSQZQVBM-UHFFFAOYSA-N 446.576 2.027 10 10 IECE O=C(CN1CCC[C@@H]1[C@H](O)c1ccccc1)NCc1ccc(N2CCOCC2)c(F)c1 1175196340 XRUMOWRFNBXQSE-ISKFKSNPSA-N 427.520 2.477 10 10 IECE O=C(CN1CCC[C@@]1(CO)c1ccccc1)NCc1ccc(N2CCOCC2)c(F)c1 1198741722 JNFFMHCOXHSMPI-XMMPIXPASA-N 427.520 2.262 10 10 IECE CCc1nnc(N2CCCN(c3ccc(OC)cc3)CC2)n1C[C@@H]1NC(=O)CC1(C)C 1306179824 ZFVJALSGUQVRCS-IBGZPJMESA-N 426.565 2.481 10 10 IECE COc1ccc(N2CCC(NC(=O)[C@H](CO)NC(=O)OCc3ccccc3)CC2)cc1 1442925737 IYIFHNORMCCRDA-NRFANRHFSA-N 427.501 2.068 10 10 IECE CSCC[C@H](NC(=O)CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)C(N)=O 1461621303 SVXHSABTQUOKBU-ODUNQGDFSA-N 441.575 2.140 10 10 IECE COc1ccc(N2CC[C@H](CNC(=O)CN3C(=O)N[C@@]4(CCCC[C@H]4C)C3=O)C2)cc1 1526246476 NHBNWQOOXJHUAK-SEPYTNNBSA-N 428.533 2.138 10 10 IECE COCCOc1cccc(CC(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)c1 1537839572 NZGRZCYCHDCDIB-UHFFFAOYSA-N 425.529 2.272 10 10 IECE CC(=O)N1CCN(CCn2c([C@@H]3CCCCO3)nnc2N(C)Cc2ccccc2O)CC1 1541007189 XEGCXRUXKGHONM-NRFANRHFSA-N 442.564 2.026 10 10 IECE C[C@@H](NC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@@H]1CCCN(C2CCC2)C1 1564540751 JUBARXYKPGSZFE-UYAOXDASSA-N 448.633 2.374 10 10 IECE C[C@H](C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)n1cnc2c(N)ncnc21 1566356396 DBPCJIPFKQNQES-IUODEOHRSA-N 429.912 2.109 10 10 IECE COc1ccc(N2CC[C@@H](CNC(=O)COc3cc([N+](=O)[O-])c(C=O)cc3OC)C2)cc1 1570563627 UZBHAZAYOMCYFF-HNNXBMFYSA-N 443.456 2.446 10 10 IECE CC[C@@H]1[C@@H](C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)CCN1C 1583100775 OOCYSYWJCSJLBW-AZUAARDMSA-N 426.540 2.289 10 10 IECE COc1ccc(N2CC[C@@H](CNC(=O)[C@@H](CCN(C)C)NC(=O)OC(C)(C)C)C2)cc1 1627154177 JYPUSBNIIJWNHY-FXAWDEMLSA-N 434.581 2.483 10 10 IECE CN1CCN(c2ccc(Br)cc2NC(=O)Cc2ccc(O)c(O)c2)CC1=O 1632687109 ATLFKKAWWAUFRZ-UHFFFAOYSA-N 434.290 2.320 10 10 IECE CC[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)/C=C/C(=O)N1CCN(c2ccc(OC)cc2)CC1 1639564207 NNMANQBXOKNNHN-SJFMBGHLSA-N 445.560 2.479 10 10 IECE COc1ccc(N2CCN(c3nnc([C@H]4CCCO4)n3CCC(=O)N(C)C)CC2)cc1F 1730180530 RHHVSJUKDPUFEL-LJQANCHMSA-N 446.527 2.082 10 10 IECE COCC(=O)N1CCN(c2nnc(CC(C)C)n2Cc2ccc3c(c2)CCCN3C)CC1 1730419369 PERIZWZOTOTPTB-UHFFFAOYSA-N 440.592 2.202 10 10 IECE COC(=O)C[C@@H]1CN(c2nnc(CC3CC3)n2Cc2ccc(N(C)C)cc2C)C[C@H]1O 1748337078 SPZRGFFHCUVRJG-UYAOXDASSA-N 427.549 2.014 10 10 IECE COc1ccc(C=C2SC(=S)N(CCCC(=O)N3CCN(C)CC3)C2=O)cc1OC 2297554405 GABIORDAWSKKJY-UHFFFAOYSA-N 449.598 2.459 10 10 IECE O=C(O)CCCCCNC(=O)CCN1C(=O)C(=Cc2ccc(O)cc2O)SC1=S 2314828393 STNWODYSVVACCX-UHFFFAOYSA-N 438.527 2.450 10 10 IECE COc1ccc(N2CCC(NC(=O)[C@H](C)NS(=O)(=O)c3ccccc3F)CC2)cc1 726562224 GQALGQVYMWGLLQ-HNNXBMFYSA-N 435.521 2.286 10 10 IECE COc1ccc(N2CCN(C[C@@H](O)CN3CCC(C(=O)N[C@@H](C)C(C)C)CC3)CC2)cc1 754031178 DQZVKBZLIHUXIU-REWPJTCUSA-N 446.636 2.051 10 10 IECE C[C@H]1CN(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C[C@]2(CCO[C@H](C)C2)O1 797435217 NCTJUHIFDLTFOY-FYNLTWRRSA-N 444.576 2.256 10 10 IECE C[C@@H](OC(=O)[C@@H]1CCNC(=O)CC1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 815423762 MORIRANCBSSDLH-KGLIPLIRSA-N 434.448 2.249 10 10 IECE CN(C)c1ccc([C@H](CNC(=O)C[C@@H]2COCCN2C(=O)OC(C)(C)C)N(C)C)cc1 1134686284 GOBNXTNOTLZMAS-UXHICEINSA-N 434.581 2.498 10 10 IECE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CCN(c2nc(N)nc(C3CC3)n2)CC1 1230201725 URRUKRHTHFVJBO-MRXNPFEDSA-N 438.580 2.168 10 10 IECE CC(C)NS(=O)(=O)c1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cc1 1463276734 AITDCTJTDZFLMF-NRFANRHFSA-N 432.590 2.472 10 10 IECE COC(=O)c1ccc(CCNC(=O)NCc2ccc(N3CCN(C)CC3)cc2)c(OC)c1 1478708743 OCXSALUAVLMOCG-UHFFFAOYSA-N 440.544 2.276 10 10 IECE CCO[C@@]1(c2nnc(N(C)Cc3ccccc3O)n2CCC(=O)NC(C)C)CCOC1 1516140547 FSSDFQASMFBHDL-QFIPXVFZSA-N 431.537 2.187 10 10 IECE CCC(CC)NC(=O)c1nnc(N(C)OC)n1Cc1ccc(N2CCC(CO)CC2)cc1 1545844265 YLEOMGJUUQNQGG-UHFFFAOYSA-N 444.580 2.451 10 10 IECE COCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1555469423 NOFVAZAPLHWXCQ-GOSISDBHSA-N 446.527 2.130 10 10 IECE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(C)n2Cc2ccc3c(c2)CCCN3C)CC1 1613442533 UIFFFKAQVIMUDR-GOSISDBHSA-N 439.608 2.054 10 10 IECE CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C 1637005036 ZXWXUORPLXQRES-MSOLQXFVSA-N 431.541 2.312 10 10 IECE COc1ccc(N2CC[C@@H](CNC(=O)NCC(=O)NCCc3ccccc3OC)C2)cc1 1683340020 LWLNLVCEPHQLFF-SFHVURJKSA-N 440.544 2.188 10 10 IECE CCOCc1nnc(N2CCN(C)C(=O)C2)n1Cc1ccc(N2CCC(C)CC2)cc1 1710730103 NIHNDBUWPCBGMR-UHFFFAOYSA-N 426.565 2.378 10 10 IECE CCc1nnc(N(C)C[C@H]2CCN(C(C)=O)C2)n1Cc1ccc(N2CCOCC2)cc1 1727513461 PDWCKZINBQUHIR-HXUWFJFHSA-N 426.565 2.030 10 10 IECE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(C3CC3)n2Cc2ccc(N(C)C)cc2C)C1 1765674566 ROPXABRLWSPYMY-LJQANCHMSA-N 432.594 2.096 10 10 IECE CN(Cc1ccccc1O)c1nnc(C(=O)N2CCCC2)n1CC1([S@@](C)=O)CCC1 1768681034 DPNJDPKHFZZFTH-SSEXGKCCSA-N 431.562 2.157 10 10 IECE COc1ccc(-c2nn(C)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)NC2CC2)=C(N)O3)cc1 1864021395 BJNYOQGMMAZEOH-SFHVURJKSA-N 448.479 2.480 10 10 IECE 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NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N3CCC4(C3)Oc3ccccc3O4)cc2)C1 812009128 BVLMLVGQQQZNLU-GOSISDBHSA-N 436.512 2.471 10 10 IECE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3cc(C)sc3C)CC2)cc1 1130659358 FNZFTLCAPJGOOO-UHFFFAOYSA-N 437.587 2.255 10 10 IECE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)/C=C(\C)c3cccs3)CC2)cc1 1130659959 NWWBZHGCNJTTKF-WUKNDPDISA-N 449.598 2.428 10 10 IECE COc1ccc(N2CCN([C@H](C)C(=O)Nc3ccccc3S(C)(=O)=O)CC2)c(OC)c1 1175512030 FPRAJWQMKVGZOD-MRXNPFEDSA-N 447.557 2.257 10 10 IECE CCO[C@@H]1C[C@](CO)(NC(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)C1(C)C 1229782368 VJGQWYNOTXYRAW-DYESRHJHSA-N 427.492 2.167 10 10 IECE CCc1nnc(N(C)CCCC(=O)NC)n1Cc1ccc(N2CCC(CO)CC2)cc1 1292859285 QELRLHPVXUJMRY-UHFFFAOYSA-N 428.581 2.060 10 10 IECE Cc1cc(CC(=O)NC[C@@]23COCCN2C(=O)COC3)c(C)n1-c1ccc(Cl)cc1 1462235548 GNLOMDSMTMLUSK-QFIPXVFZSA-N 431.920 2.034 10 10 IECE CC(C)(C)OC(=O)N1CCN(CCC(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC1 1470448131 VSKBHLYJNAPABJ-UHFFFAOYSA-N 446.592 2.207 10 10 IECE 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Cc1cc(N(C)C)ccc1Cn1c(-c2cnccn2)nnc1N1CCC[C@H](CC(N)=O)C1 1611963627 WGSOBFUJKAUCRH-QGZVFWFLSA-N 434.548 2.250 10 10 IECE Cc1cc(CC(=O)N2CCN(CC(=O)Nc3nncs3)CC2)c(C)n1-c1ccccc1 1629205994 YWFMXRHCIXKRGY-UHFFFAOYSA-N 438.557 2.271 10 10 IECE NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C[S@@](=O)c3ccc(Cl)cc3)cc2)C1 1630738169 KQIBTINFYATHSY-GUNSETOZSA-N 433.961 2.466 10 10 IECE Cc1ccccc1[C@@H](CC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1)NC(N)=O 1634974579 ZXECKTHHIUGMKC-OAQYLSRUSA-N 437.544 2.113 10 10 IECE Cc1cccc(-n2c(C)cc(CNC(=O)[C@H]3CC(=O)N(CCN4CCOCC4)C3)c2C)c1 1643366264 LHVZZTXKKYMVEG-QFIPXVFZSA-N 438.572 2.199 10 10 IECE COc1ccc(N(C)CCN(C)C(=O)c2ccc(F)c(S(=O)(=O)NC3CC3)c2)cc1 1644439120 XAOBMLHXMPNQEA-UHFFFAOYSA-N 435.521 2.483 10 10 IECE COc1ccc(O)c([C@@H](C)NC(=O)NCc2c(I)cnn2C)c1 1683632673 XQYNLZBZVBEATA-SECBINFHSA-N 430.246 2.299 10 10 IECE CC(C)NC(=O)c1nnc(N(C)[C@H]2CCSC2)n1Cc1ccc(N2CCOCC2)cc1 1706583216 KCMRDPKIYBIAIZ-IBGZPJMESA-N 444.605 2.243 10 10 IECE CCCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC(C)C)=C(N)O2 1864010614 PCYYVHRJMFBNJZ-GOSISDBHSA-N 444.532 2.410 10 10 IECE CC(C)C[C@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)C(=O)NCCN(C)C 759271370 HLXMNBPHRZBXFW-FQEVSTJZSA-N 435.638 2.132 10 10 IECE COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C1 773573345 GNUWUWWSTKMORS-NEWSRXKRSA-N 445.564 2.054 10 10 IECE CC(C)c1nnc2n1CCN(CC(=O)NCc1ccc(N3CCOCC3)c(F)c1)[C@H]2C 784378680 URBPHOGBJCIXNI-INIZCTEOSA-N 430.528 2.070 10 10 IECE CS(=O)(=O)c1cc(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)ccc1F 1129549123 CUIHSXIPLPXLPG-UHFFFAOYSA-N 428.432 2.274 10 10 IECE COc1ccc(N2CCN(C(=O)Cn3ncc4ccc([N+](=O)[O-])cc43)CC2)c(OC)c1 1132032425 WMGHYPXJXZBDLQ-UHFFFAOYSA-N 425.445 2.311 10 10 IECE C[C@H]1CN(c2ccc(CNC(=O)c3cc(S(N)(=O)=O)oc3Cl)cc2F)C[C@H](C)O1 1141902090 ZAXAHAJWJDMQAB-QWRGUYRKSA-N 445.900 2.263 10 10 IECE C[C@H](O)C1CN(C(=O)CN2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)C1 1152710216 JOHFLLNMJZDOCK-PJJXNUOTSA-N 441.372 2.490 10 10 IECE COc1ccc([C@H]2CN(CC(=O)NCc3ccc(N4CCOCC4)c(F)c3)CCO2)cc1 1175426516 JWCJPSQAIHQHPG-HSZRJFAPSA-N 443.519 2.361 10 10 IECE COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(Cc4ccccc4)C[C@@H]3CO)C2)cc1 1312994494 LABMKMHTUQNAAS-DPLHUUCSSA-N 438.572 2.456 10 10 IECE Cc1cc(Cn2c(=CC(=O)C3CC3)sc(=Cc3ccc(N4CCCC4)cc3)c2=O)ncn1 1330190415 HTBMDOCFDCEDNA-UHFFFAOYSA-N 446.576 2.245 10 10 IECE Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 1354659158 TXEPEJGMTRXWEU-UHFFFAOYSA-N 435.521 2.151 10 10 IECE CC(C)NC(=O)c1nnc(N(C)Cc2cnn(C)c2)n1Cc1ccc2c(c1)CCCN2C 1360170323 GEJUVFJGFMIABX-UHFFFAOYSA-N 436.564 2.217 10 10 IECE Cc1cc(C(=O)N2CCC(OCC(N)=O)CC2)c(C)n1-c1ccc(Br)cn1 1465478079 DYFRPTDAINHIJB-UHFFFAOYSA-N 435.322 2.358 10 10 IECE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1 1478840768 HAVVLOIVFJCTFH-KRWDZBQOSA-N 448.589 2.360 10 10 IECE COc1ccc(N2CC[C@H](CNC(=O)NCCc3ccccc3S(C)(=O)=O)C2)cc1 1478859166 CKWKYLBACCISGX-QGZVFWFLSA-N 431.558 2.467 10 10 IECE CN(Cc1ccccc1O)c1nnc(Cc2ccccn2)n1CC1(CS(C)(=O)=O)CC1 1503488833 XFXMPELWJNKDCK-UHFFFAOYSA-N 441.557 2.431 10 10 IECE CN(C)c1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)C[C@H]2CCCCO2)cc1F 1517000702 XBJVCQVVNGQPAE-AEFFLSMTSA-N 430.528 2.488 10 10 IECE COc1cc(N2CCN(C(=O)c3ccn(CC(F)(F)F)n3)CC2)cc(OC)c1OC 1521502152 NVTLOQOPEUJQPN-UHFFFAOYSA-N 428.411 2.434 10 10 IECE Cc1nn(C)cc1C1=NO[C@H](C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)C1 1542490670 UVUFRHASASJDTC-UGKGYDQZSA-N 425.533 2.495 10 10 IECE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)c3ccco3)CC2)c(OC)c1 1586630486 MQKHXWRQFBGBQO-KRWDZBQOSA-N 447.557 2.497 10 10 IECE O=C(CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)NC[C@H](O)COCC1CC1 1635846901 KXQIQMYLCDNLCJ-UWNXQOIWSA-N 438.546 2.321 10 10 IECE COc1ccc(N2CCN(CC(=O)N3CCN(c4ccccc4F)CC3)CC2)c(OC)c1 1654564866 RTANGONUFTYPDI-UHFFFAOYSA-N 442.535 2.314 10 10 IECE CCOC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccccc1O 1695985213 RBUZPXGRMBYUPL-CQSZACIVSA-N 425.555 2.045 10 10 IECE CCOCc1nnc(N2CCC(S(C)(=O)=O)CC2)n1CCCSc1nccs1 1767858349 GAKPHSJYUDXZFN-UHFFFAOYSA-N 445.636 2.467 10 10 IECE C[C@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1)N1C(=O)c2cccnc2C1=O 1866243552 MVRCIMCERULEPX-DYESRHJHSA-N 449.555 2.476 10 10 IECE COc1ccc(/C=C2\SC(=S)N(CCCC(=O)N[C@H](C)C(=O)O)C2=O)cc1OC 15040669 OVSGLNBUMBNDAG-MKVLZVNKSA-N 438.527 2.275 10 10 IECE O=C(CN1CCN(c2cccnn2)CC1)Nc1cccc2c1C(=O)c1ccccc1C2=O 725806434 HXVNXXWVJPWXCM-UHFFFAOYSA-N 427.464 2.013 10 10 IECE COc1cc(N2CCN(S(=O)(=O)c3ccc(N(C)C)cc3)CC2)cc(OC)c1OC 755129893 ASPPDABHYKAOLN-UHFFFAOYSA-N 435.546 2.289 10 10 IECE O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C(=O)N1CCC[C@@H](n2ccnc2)C1 807768947 CAXAVFUYUDNQBE-SJLPKXTDSA-N 447.486 2.433 10 10 IECE COc1ccc(N2CCN(C(=O)c3cc(Cl)c(OCC(N)=O)c(OC)c3)CC2)cc1 814517561 HYUOYLRIVGUENI-UHFFFAOYSA-N 433.892 2.184 10 10 IECE COc1ccc(-n2c(C)cc(C(=O)Nc3cnn(C[C@H](O)CN(C)OC)c3)c2C)cc1 1151077448 ZKQFFQZWLLURQG-LJQANCHMSA-N 427.505 2.406 10 10 IECE CCc1nnc(N(C)Cc2ccc(N3CCOCC3)cc2)n1C[C@H]1CCCN1CCCO 1306078549 XZBSSSCGBIJLCB-JOCHJYFZSA-N 442.608 2.160 10 10 IECE CCOCc1nnc(N2C[C@H](C)O[C@@]3(CCOC3)C2)n1Cc1ccc(N(C)C)c(F)c1 1314328484 NYUMNBWGQYMYRD-AOMKIAJQSA-N 433.528 2.452 10 10 IECE CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cc(S(N)(=O)=O)oc2Cl)cc1 1464602967 HSSFNLAEBIAUFZ-OAHLLOKOSA-N 441.937 2.468 10 10 IECE O=C(NCc1ccc(N2CCC(O)CC2)cc1)N1CCN(C(=O)c2ccsc2)CC1 1470904459 GMKMJALNWFOJOJ-UHFFFAOYSA-N 428.558 2.377 10 10 IECE C[C@H]1N(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(N(C)C)c(F)c2)CCOC1(C)C 1512580196 QPMLEMCFXBWREX-PBHICJAKSA-N 430.528 2.486 10 10 IECE COC1(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)Cc2ccccc2O)CCC1 1554708152 SMNXAHQEFBEAHI-OAHLLOKOSA-N 437.566 2.190 10 10 IECE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)NC[C@@H]1CSc2ccccc2O1 1636455438 HRFVRDXMEJILJI-GOSISDBHSA-N 447.582 2.274 10 10 IECE CCNS(=O)(=O)c1ccc(C)c(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c1 1640232443 PYGGHVGYCMCAER-OAQYLSRUSA-N 432.590 2.392 10 10 IECE CS(C)(=O)=NCCNC(=O)CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S 1652322989 PTUUSQDGYQXBPY-KAMYIIQDSA-N 429.564 2.261 10 10 IECE CC(=O)N(C)c1ccc(CNC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1 1677109445 LMWJGNFBEVMPIG-HXUWFJFHSA-N 437.544 2.370 10 10 IECE CN1CCN(c2ccc(CNC(=O)NCCc3cnc4c(Cl)cnn4c3)cc2)CC1 1686572238 UCVQGUZKDVFZES-UHFFFAOYSA-N 427.940 2.176 10 10 IECE CC(C)NC(=O)c1nnc(N2CCO[C@H](C)C2)n1Cc1ccc(N2CCSCC2)cc1 1750971114 JQUNERZNMBXNPM-QGZVFWFLSA-N 444.605 2.243 10 10 IECE CCc1nnc(N2CCN(C(=O)[C@H]3CCCO3)CC2)n1Cc1ccc(N(C)C)cc1C 1764898819 IPWPDKZGBXYAAQ-HXUWFJFHSA-N 426.565 2.091 10 10 IECE CN(Cc1ccccc1O)c1nnc([C@@H]2CCCOC2)n1CCCN1CCC(O)CC1 1767111658 ANVWUYBZMPBTDS-LJQANCHMSA-N 429.565 2.361 10 10 IECE CO[C@H]1CN(c2nnc(C(C)(C)C)n2Cc2ccc(N3CCOCC3)c(F)c2)C[C@H]1OC 1771336781 WZTPJJKRRFGXQF-BGYRXZFFSA-N 447.555 2.450 10 10 IECE COc1cc(/C=C2/SC(=S)N([C@@H](C(=O)O)[C@H](C)O)C2=O)cc(Br)c1O 1858591919 CYIPXTHBWRNAEO-VJLMVOPESA-N 448.316 2.199 10 10 IECE CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)C(=O)c2cc(O)c(O)c(O)c2)C1 2068625068 VPXPLRIAOUCXLZ-UHFFFAOYSA-N 444.484 2.428 10 10 IECE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1ccc(O)c([N+](=O)[O-])c1 2236167682 JPFDZQAMVXVQLW-SFHVURJKSA-N 437.405 2.067 10 10 IECE COc1ccc(OC)c(N2C(=O)NC(=O)C(=CNCCc3c[nH]c4ccccc34)C2=O)c1 2296073524 NFOGWLCFLNBYDF-UHFFFAOYSA-N 434.452 2.484 10 10 IECE O=C(NCc1ccc(N2CCN(CC3CC3)CC2)cc1)N[C@@H](CCO)C1CCOCC1 764738147 IWWKDXZEUANHRW-QHCPKHFHSA-N 430.593 2.195 10 10 IECE COc1ccc(N2CCN(C(=O)CN3CCO[C@H](c4cccc(OC)c4)C3)CC2)cc1 766187459 MPLLWCIVAMBCKB-QHCPKHFHSA-N 425.529 2.426 10 10 IECE O=S1(=O)CCN(c2cccc(NS(=O)(=O)c3ccc(C(F)(F)F)nc3)c2)CC1 782251011 GDXNEEXBZKIWQB-UHFFFAOYSA-N 435.449 2.136 10 10 IECE C[C@@H](OC(=O)[C@H]1CCNC(=O)CC1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 815418468 YNKWVMHSAVUODB-ZIAGYGMSSA-N 434.448 2.249 10 10 IECE COc1ccc(N2CC[C@H](CNC(=O)NCC(C)(C)[C@H]3COCC34OCCO4)C2)cc1 1251793078 ZYPMAVPPTRNAIY-YLJYHZDGSA-N 433.549 2.236 10 10 IECE 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Cc1nnc(N(C)Cc2ccc(N3CCOCC3)cc2)n1CCN1CCOC(C)(C)C1 1751879986 JYXGMPBKHDYMQT-UHFFFAOYSA-N 428.581 2.170 10 10 IECE CC(=O)N1CCCN(c2nnc(C(C)C)n2Cc2ccc(N3CCOCC3)cc2)CC1 1760594188 MDWIKMYSCWOZDN-UHFFFAOYSA-N 426.565 2.345 10 10 IECE CN(C)c1ccc(Cn2c(CN3CCCC3=O)nnc2N(C)Cc2ccon2)cc1F 1766911562 AUNKBCTXTDFTCM-UHFFFAOYSA-N 427.484 2.278 10 10 IECE COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)C2=C(C)NN2CCOCC2)cc1 2313683257 VSXOWXWVHVVVOP-UHFFFAOYSA-N 437.456 2.465 10 10 IECE Cc1cc(C)cc(-n2c(C)cc(C(=O)N3CCN(CC(=O)N4CCOCC4)CC3)c2C)c1 749335040 NGKRAFZMWVYQMB-UHFFFAOYSA-N 438.572 2.328 10 10 IECE CN1CCN(c2cc(C(=O)NCc3ccc(N4CCN(CC5CC5)CC4)cc3)ccn2)CC1 769121312 GNQDYAHCLDEJPA-UHFFFAOYSA-N 448.615 2.295 10 10 IECE COC(=O)CCN(Cc1cccc(F)c1F)C(=O)c1cc(NS(C)(=O)=O)ccc1O 769932994 SUHJPJNVCKTOCH-UHFFFAOYSA-N 442.440 2.247 10 10 IECE COC(=O)c1ccc(NC(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)c(OC)c1 782079464 DUUITYYVOWAQJN-UHFFFAOYSA-N 442.516 2.434 10 10 IECE C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N(Cc1ccco1)Cc1ccccc1O 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2.280 10 10 IECE CCS(=O)(=O)C[C@H](C)N(C)c1nnc([C@H]2CCOC2)n1Cc1ccc(N(C)C)cc1C 1617276514 KNGDBQBVNMEYEA-HKUYNNGSSA-N 449.621 2.464 10 10 IECE COCCNS(=O)(=O)c1cccc(CNC(=O)c2cc3cc(O)c(O)cc3s2)c1 1618167271 XXYFVXUPITUNBD-UHFFFAOYSA-N 436.511 2.167 10 10 IECE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc2c(Br)cnn2c1 1638030343 JMGQDTBNTSVXKA-AWEZNQCLSA-N 448.273 2.412 10 10 IECE COc1ccc(N2CCCN(c3nnc(-c4ccc[nH]4)n3CCOCCCO)CC2)cc1 1748848266 ZCEKFNUWTJJFLZ-UHFFFAOYSA-N 440.548 2.398 10 10 IECE C[C@H]1C(=O)N(C)CCN1c1nnc([C@@H]2CCCCO2)n1Cc1ccc(N(C)C)c(F)c1 1751981833 FFCIBUVDQHAMLZ-KXBFYZLASA-N 430.528 2.440 10 10 IECE CN(Cc1ccccc1O)c1nnc([C@H]2CCCCO2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1767112335 YDFJIZALXRXKNE-VQIMIIECSA-N 449.577 2.143 10 10 IECE COCCCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)CCCN2C 1769692276 MRRRIPAZMRMZTE-IBGZPJMESA-N 447.605 2.084 10 10 IECE CCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CC1)=C(N)O2 1864018256 GXMCRPSRRRCVPY-GOSISDBHSA-N 433.468 2.214 10 10 IECE CC(C)N1C(=O)C(=Cc2c(N3CCN(C)CC3)nc3ccccn3c2=O)SC1=S 2053493353 SQVMQQFSYKLDLD-UHFFFAOYSA-N 429.571 2.056 10 10 IECE COCCN1C(=O)C(=Cc2c(NC[C@@H]3CCCO3)nc3ccccn3c2=O)SC1=S 2053496928 PRQKUVRPDFXPBM-ZDUSSCGKSA-N 446.554 2.133 10 10 IECE CCOc1cc(C)ccc1NC(=O)C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 743432151 HDLYKRGSPMMRBL-UHFFFAOYSA-N 440.544 2.279 10 10 IECE C[C@H]1[C@@H](C)N(C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)CC[S@]1=O 769886771 DWVOJGNOFWPPDT-AOOLBULQSA-N 428.557 2.236 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CCC[C@@]4(CCCOC4)C3)CC2)cc1 778310634 OEWVVGLKGNOPOS-HCXLOTKHSA-N 427.545 2.319 10 10 IECE CC(=O)N1CCN(c2ccc(CNC(=O)CCc3nc(-c4ccncc4)no3)cc2)CC1 786262446 LYUJVUQJIIADLG-UHFFFAOYSA-N 434.500 2.049 10 10 IECE CC(C)c1nnc2n1CCN(C(=O)C(=O)N[C@@H](C)c1ccc(N3CCOCC3)cc1)[C@H]2C 803309606 AVXVZGKFVJMSKN-IRXDYDNUSA-N 440.548 2.019 10 10 IECE CCO[C@@]1(c2nnc(N(C)Cc3ccccc3O)n2C[C@@H]2NC(=O)CC2(C)C)CCOC1 1296545815 MFRLRXGLEKMAHJ-MBSDFSHPSA-N 443.548 2.187 10 10 IECE 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NS(=O)(=O)c1cc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c(Cl)o1 1630263077 TUWZGDQLGOKJMQ-GFCCVEGCSA-N 448.328 2.334 10 10 IECE Cc1nc(CS(C)(=O)=O)sc1CC(=O)NCc1cccc(Br)c1O 1634724831 JRVOHNZFWUMQAQ-UHFFFAOYSA-N 433.349 2.323 10 10 IECE COc1ccc(N2CC[C@H](NC(=O)N(C)CCNS(=O)(=O)c3ccc(C)cc3)C2)cc1 1636853873 MECAZFVYTGRWGG-SFHVURJKSA-N 446.573 2.202 10 10 IECE O=C1CC2(CCC2)N(C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)CCN1 1637493404 KRLIWHYOLKBIKS-UHFFFAOYSA-N 435.527 2.139 10 10 IECE Cc1ccc(O)c(CNC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 1640796403 COFUSILOVYNPFT-SFHVURJKSA-N 433.486 2.468 10 10 IECE O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)N[C@H](CO)CN1CCCC1 1641853149 YPXROLRRNDTPQZ-HNDQUVLASA-N 439.628 2.302 10 10 IECE C[C@@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)N1CCC(O)(CN(C)C)CC1 1659619273 PWZBDCRDRXERHF-INIZCTEOSA-N 435.524 2.178 10 10 IECE Cc1nnc(N2CCCN(C(=O)C(C)C)CC2)n1Cc1ccc(N2CCOCC2)cc1 1707903393 JNXBNJJSRZGZEG-UHFFFAOYSA-N 426.565 2.166 10 10 IECE 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CC[C@@](C)(NC(=O)CCNC(C)=O)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866801423 NJIRFHWGRBIYMN-XMMPIXPASA-N 435.480 2.212 10 10 IECE Cn1[nH]c(CCNC(=O)OC(C)(C)C)nc1=NCc1c(O)cccc1Br 2126768996 BIKJLBLQSFWYRD-UHFFFAOYSA-N 426.315 2.384 10 10 IECE Cc1cccn2c(=O)c(C=C3SC(=S)N(C)C3=O)c(N3C[C@H](C)O[C@@H](C)C3)nc12 2296698691 FGIVIHRGYBTBGM-STQMWFEESA-N 430.555 2.448 10 10 IECE CNS(=O)(=O)c1ccc(CCC(=O)Nc2ccnn2Cc2ccc(N(C)C)cc2)cc1 96968758 UOYBKFFQYNBECE-UHFFFAOYSA-N 441.557 2.477 10 10 IECE COc1ccc(N2CCN(CC(=O)N(C3CCCCC3)[C@H]3CCS(=O)(=O)C3)CC2)cc1 104502929 FOQWRAJQUYDIJI-NRFANRHFSA-N 449.617 2.166 10 10 IECE COc1ccc(N2CCN([C@H](C)C(=O)NCCc3ccc4c(c3)OCCO4)CC2)cc1F 753859956 DAHYKBXROTZCMG-QGZVFWFLSA-N 443.519 2.475 10 10 IECE COc1ccc(N2CCN(C(=O)COC(=O)c3ccc(N(C)C(C)=O)cc3)CC2)cc1 785131558 QXEDWCYJLSAMDR-UHFFFAOYSA-N 425.485 2.184 10 10 IECE CC(=O)N1CCN(c2ccc(CNC(=O)[C@H]3CCCN3C(=O)OC(C)(C)C)cc2)CC1 787325103 MIHFTIJQAURKBQ-HXUWFJFHSA-N 430.549 2.371 10 10 IECE C[C@@H]1N(C(=O)C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CCOC1(C)C 803447965 CRSJSPOTZIIDQT-AWEZNQCLSA-N 425.476 2.399 10 10 IECE CCC1(CC)CN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CCS1(=O)=O 813042795 UDYVEBHRTIDHKR-UHFFFAOYSA-N 441.569 2.286 10 10 IECE COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)N2Cc3cccc(O)c3C2)CC1 1175029480 GDPAXPSKJPBJTD-UHFFFAOYSA-N 444.509 2.122 10 10 IECE CC(C)Cc1nnc(N(C)Cc2ccc(N3CCOCC3)cc2)n1C[C@@]1(C)CN(C)C1=O 1287364254 VFNISRGFMGCZQF-XMMPIXPASA-N 440.592 2.428 10 10 IECE CN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCSc1nccs1)[C@@H]1CCOC1 1298159126 DFCRZSJCUBPYOL-UONOGXRCSA-N 443.620 2.044 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C\C(=O)Nc3ccc(COCCO)cc3)CC2)cc1 1299711628 WUEXLTUMUFLGRN-KHPPLWFESA-N 439.512 2.048 10 10 IECE COc1ccc(N2CCN(C[C@H](O)CN(C)C[C@H](C)NC(=O)OC(C)(C)C)CC2)cc1 1307973839 JKWRRQOFPVPZEZ-AZUAARDMSA-N 436.597 2.023 10 10 IECE C[C@@H]1[C@@H](C)N(C(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)[C@H](C)C(=O)N1C 1437132745 NCVVPBCIKINZHQ-JHJVBQTASA-N 435.436 2.450 10 10 IECE 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NC(=O)[C@@H]1CCC[C@@H](NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)C1 738969573 GSENABHNEZYJIZ-UKRRQHHQSA-N 428.455 2.385 10 10 IECE CCn1nc2c(cc1=O)CN(C(=O)NCc1ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c1)CC2 752895283 RCMGAQQPDQNDGC-HZPDHXFCSA-N 443.523 2.284 10 10 IECE CCC1(CC)CN(C(=O)c2ccccc2SCC(=O)NCCOC)CC[S@@]1=O 769458076 FYTFXYVWKNSRBE-NDEPHWFRSA-N 426.604 2.305 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C\C(=O)Nc3ccc4ccc(=O)n(C)c4c3)CC2)cc1 787621456 GYZIYTVLNOXOSL-BENRWUELSA-N 446.507 2.391 10 10 IECE COc1cc(N2CCN(C(=O)[C@@H]3CC(=O)N[C@@H]4CCCC[C@@H]43)CC2)cc(OC)c1OC 1127836953 PKPJXMJARKGTFK-KZNAEPCWSA-N 431.533 2.056 10 10 IECE O=C(NCc1c(O)cccc1F)NC[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 1227789367 MLWHLNMWHLNNTN-MRXNPFEDSA-N 433.455 2.187 10 10 IECE CCCCN(C)S(=O)(=O)c1ccc(NC(=O)/C(=C\C2=S=CC=C2)NC(C)=O)cc1 1463549314 JBZPQVVECDIQQF-XMHGGMMESA-N 435.571 2.343 10 10 IECE Cn1nccc1[C@H](O)C1CCN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC1 1470905559 PSMGSENMTMVZJU-JOCHJYFZSA-N 427.549 2.036 10 10 IECE CS(=O)(=O)Nc1ccc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cn1 1514715981 PXYAEOILOWZUQX-CQSZACIVSA-N 440.472 2.453 10 10 IECE COc1ccc(N2CCN(C(=O)C(C)(C)N3C(=O)c4ccccc4C3=O)CC2)c(OC)c1 1534587793 QACBINPDNCLPSA-UHFFFAOYSA-N 437.496 2.427 10 10 IECE CCN1CCN(c2cccc(NC(=O)c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])c2)CC1 1537871864 FJQXFGIWFNOBSE-UHFFFAOYSA-N 432.502 2.393 10 10 IECE CCOC(=O)CN(Cc1ccccc1O)C(=O)CNC(=O)c1cccc(Br)c1 1557115387 UIGDYXAAVMYMDL-UHFFFAOYSA-N 449.301 2.476 10 10 IECE CCN1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(N(C)C)c(F)c2)C[C@H]1C 1615767920 KGGDYUSDRAOIPW-GJYPPUQNSA-N 443.571 2.402 10 10 IECE CN(C)[C@]1(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)COc2ccccc2C1 1628763925 KBEZBHMAKGBEAT-DEOSSOPVSA-N 427.520 2.339 10 10 IECE C[C@@H](C(=O)NCc1ccc(N2CCCC2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1629758553 MMTZHUUMAOZKFJ-KRWDZBQOSA-N 430.549 2.371 10 10 IECE COc1ccc(N2CC[C@@H](CNC(=O)CCC(=O)N3CC(=O)Nc4ccccc43)C2)cc1 1638644975 DGVSFRFYFZJUCG-KRWDZBQOSA-N 436.512 2.403 10 10 IECE COc1ccc(N2CC[C@@H](CNC(=O)CCC(=O)Nc3ccc4nc(O)[nH]c4n3)C2)cc1 1643346753 QRMDSOVMDZHCTA-AWEZNQCLSA-N 438.488 2.034 10 10 IECE COc1ccc(N2CCN(C(=O)NCc3ccc(N4CCNC4=O)cc3)CC2)cc1F 1675552169 UZGYICIPAPMMED-UHFFFAOYSA-N 427.480 2.396 10 10 IECE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)NC[C@H]1CCC[C@H](C(F)(F)F)O1 1683896648 LQGKWLHWCSDJHY-IAGOWNOFSA-N 449.495 2.221 10 10 IECE COc1ccc(N2CCN(C(=O)N[C@H]3CCCN(C(=O)N4CCCC4)C3)CC2)c(OC)c1 1686433851 MJMRHVVYCLVELI-SFHVURJKSA-N 445.564 2.216 10 10 IECE COCCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1ccc2c(c1)CCCN2C 1712456488 GVCIHKIYKSORJY-UHFFFAOYSA-N 439.564 2.209 10 10 IECE CN(C)c1ccc(Cn2c([C@H]3CCCCO3)nnc2N2CCC[C@@H](C(N)=O)C2)cc1F 1729329726 IIENHBIPEVSUDW-VQIMIIECSA-N 430.528 2.475 10 10 IECE CC(C)O[C@@]1(c2nnc(N(C)Cc3ccccc3O)n2C[C@@]2(C)COCCO2)CCOC1 1751010733 WTOGWDNFGKRWHY-GOTSBHOMSA-N 446.548 2.466 10 10 IECE CN(C(=O)CCN1C(=O)C(=Cc2ccccc2F)SC1=S)[C@H]1CCS(=O)(=O)C1 2296548826 HWCWPIHXOTVAST-ZDUSSCGKSA-N 442.559 2.063 10 10 IECE Cc1cc(C(=O)CN2CCN(c3nc(N)ns3)CC2)c(C)n1-c1ccc2c(c1)OCO2 759351855 OXZIQINSCOHFFF-UHFFFAOYSA-N 440.529 2.261 10 10 IECE Cc1ccccc1O[C@H](C)C(=O)N1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 761902125 UXHKCHQXGMYFLG-OAHLLOKOSA-N 440.456 2.350 10 10 IECE COCCN(Cc1ccnn1C)C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 787303060 PCTJLHIHBVSQRN-UHFFFAOYSA-N 440.592 2.310 10 10 IECE CS(=O)(=O)NCCc1ccc(C(=O)NCc2cc(Br)ccc2O)s1 804739863 WCNGZVSWDFGDBZ-UHFFFAOYSA-N 433.349 2.238 10 10 IECE CSCC[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)OCC(=O)C(C)=O 808495443 QEGQLSOXISHSIK-ZDUSSCGKSA-N 442.342 2.095 10 10 IECE CC1=CC(NC(=O)c2ccco2)=S=C1C(=O)N[C@H](C)c1cccc(NS(C)(=O)=O)c1 915611300 QDLGZWIUVNFYEK-CYBMUJFWSA-N 447.538 2.254 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CCO[C@@H](CC(F)(F)F)C3)CC2)cc1 1148486117 QGGGGMYQVBRLQN-DKFQHHCZSA-N 441.450 2.080 10 10 IECE O=C(NCc1cccc(Cl)c1O)c1ccc(F)c(S(=O)(=O)Cc2ncon2)c1 1305085244 VDBINYVRKJHHNC-UHFFFAOYSA-N 425.825 2.472 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CCN(C)[C@H](C(C)(C)C)C3)CC2)cc1 1469615851 RAINUKYFEGGDQW-XPTLAUCJSA-N 428.577 2.089 10 10 IECE CC(C)CNC(=O)C1CCN(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)CC1 1478786327 FVHFVJRTWZBGTJ-UHFFFAOYSA-N 438.519 2.495 10 10 IECE CN(C)c1ccc([C@@H](CNC(=O)NCc2ccc(CN3CCNC3=O)cc2)N(C)C)cc1 1479126045 CREOQBCIUVJUKJ-JOCHJYFZSA-N 438.576 2.380 10 10 IECE Cc1cc(-c2nnc(N3CCNC(=O)CC3)n2CC(=O)NC(C)C)c(C)n1-c1ccccc1 1510620667 RTVFGGFMLINHGB-UHFFFAOYSA-N 449.559 2.204 10 10 IECE C[C@@H]1CCCN(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccccc2O)C1 1512225655 OZELFQVTIQGNIZ-IEBWSBKVSA-N 447.605 2.254 10 10 IECE CCC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)Cc2ccccc2O)CC1 1513618262 VNMQZBGNQMUMSW-SFHVURJKSA-N 449.577 2.143 10 10 IECE COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1519187887 UVXFBUSOPZVBHO-JXFKEZNVSA-N 449.527 2.123 10 10 IECE O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@H](C[C@@H]1COCCO1)C(F)(F)F 1544630231 KTTDJDZPJRSEQF-CVEARBPZSA-N 434.430 2.387 10 10 IECE O=C1CCCN1Cc1nnc(N2CCC(CO)CC2)n1CCCSc1nccs1 1556027723 ZFCVROAFGSFHLK-UHFFFAOYSA-N 436.607 2.248 10 10 IECE COc1cccc(/C=C(/C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)n2nnnc2C)c1 1586054621 KICCNLDCYQOMLH-AMCKHAKVSA-N 449.559 2.473 10 10 IECE CC[C@H]1CCC[C@@]1(C)C(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1586837076 UUWCDSNPHQUZTE-PGRDOPGGSA-N 437.606 2.480 10 10 IECE O=C(CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)N[C@H]1CC[C@H](O)[C@H](O)CC1 1638740297 FEFFRHXDKHVDHX-KSQMJSHZSA-N 438.546 2.198 10 10 IECE CNC(=O)N[C@H]1CCCN([C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C1 1655581874 WJKZPBMWLMYGFV-CABCVRRESA-N 434.496 2.182 10 10 IECE CN1C(=O)[C@H](NC(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)Cc2ccccc21 1673472330 HTBAEFIYMXOJON-GOSISDBHSA-N 430.455 2.188 10 10 IECE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N[C@@H]1CCOc2c(F)cccc21 1682582902 NKVWFIWDVRCCJX-LJQANCHMSA-N 433.505 2.384 10 10 IECE COc1ccc(N2CC[C@H](NC(=O)N3CCN(C)C[C@H]3CNC(=O)OC(C)(C)C)C2)cc1 1683782384 NHGASBBZSZTSTP-PKOBYXMFSA-N 447.580 2.124 10 10 IECE O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)N[C@@H]1CC(=O)N(c2ccccc2)C1 1686101679 HERXJKQZMMBORK-MRXNPFEDSA-N 430.455 2.406 10 10 IECE CCN(CC)C(=O)CN1CCN(c2nnc(C)n2CCCSc2nccs2)CC1 1710000004 MRDBPZSILYHELF-UHFFFAOYSA-N 437.639 2.216 10 10 IECE CCOCCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(C)C)cc1C 1729147673 ZMSFNTRFNBLYMC-SFHVURJKSA-N 435.594 2.076 10 10 IECE CN(Cc1ccccc1O)c1nnc(-c2cnn(C)c2)n1CCCCCS(C)(=O)=O 1729419316 RLXFPFBRFXHXLI-UHFFFAOYSA-N 432.550 2.236 10 10 IECE CCN(CC)c1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CC(=O)N(C)C[C@H]2C)cc1 1764934490 AWAQMTAKNSEWLH-QGZVFWFLSA-N 436.564 2.240 10 10 IECE CCOCc1nnc(N2CCO[C@@H](C)C2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1766430748 QLKYQYDUANJCDM-SFHVURJKSA-N 429.565 2.297 10 10 IECE COc1ccc(N2CCN(Cc3cc(=O)c(OCC(N)=O)cn3CCC(C)C)CC2)cc1 1870669567 RHERXOGKZGGICS-UHFFFAOYSA-N 442.560 2.089 10 10 IECE CCOc1ccc(/C=C2/SC(=S)N(CC(=O)N3CSC[C@H]3C(=O)O)C2=O)cc1 2951389 OXXLOARAEJEBDF-PZMUVPOTSA-N 438.552 2.273 10 10 IECE Cc1cc(C(=O)COC(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)c(C)n1-c1cccc(F)c1 10201340 GCWCSSATLJIALO-CMDGGOBGSA-N 439.443 2.070 10 10 IECE COc1ccc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC(C)C)cc1OC 96460662 YDTUTNDVMMXZNJ-CRKOOCFNSA-N 436.515 2.351 10 10 IECE Cc1cc([N+](=O)[O-])ccc1C(=O)OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 725986547 AEQVCFKWPXPYHI-UHFFFAOYSA-N 431.420 2.352 10 10 IECE CNC(=O)C[C@@H](NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccccc1 797435456 RRAORJFAIJHYSJ-TZIWHRDSSA-N 437.544 2.065 10 10 IECE CN1CC[C@H](NCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)[C@H]1c1ccc(F)cc1 1117626488 ODRQYFORDVPVJZ-XUZZJYLKSA-N 444.526 2.453 10 10 IECE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCc1cccc(Br)c1O 1156791433 JLJWCVCZLPWUCK-AWEZNQCLSA-N 428.327 2.322 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C/C(=O)Nc3ccnn3[C@H]3CCCOC3)CC2)cc1 1304661533 NYLGDOJERSUNHH-SGQUHAKNSA-N 439.516 2.087 10 10 IECE COc1ccc(Cn2nnc(C(=O)NCc3ccc(N4CCN(C)CC4)cc3)c2C)cc1 1536933627 MXBZHNLIRWOODC-UHFFFAOYSA-N 434.544 2.325 10 10 IECE Cc1cc(C)n(Cc2nnc(N(C)Cc3ccccc3O)n2C[C@]2(O)CCO[C@H]2C)n1 1543018678 AUSFNQFNQMAQKX-HTAPYJJXSA-N 426.521 2.022 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CCC[C@@H](OC4CCC4)C3)CC2)cc1 1583191488 XZFLFDZFKHPPQU-VDZCTEQFSA-N 427.545 2.460 10 10 IECE COc1cccc(CNC(=O)[C@H]2[C@@H]3C(=O)N(CC(F)(F)F)C(=O)[C@H]3C=C[C@H]2C)c1O 1595800532 YNDPLKHVXPRGJC-DZGBDDFRSA-N 426.391 2.003 10 10 IECE Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)Nc2nnc(NS(C)(=O)=O)s2)cc1 1630859207 XLVFQQVDZUMEHK-UHFFFAOYSA-N 433.515 2.311 10 10 IECE Cn1cc(CCNC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)c2ccccc21 1636796715 OXIPFXSVJGVHRX-UHFFFAOYSA-N 440.569 2.455 10 10 IECE C[C@@H](NC(=O)C1(S(C)(=O)=O)CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1O 1648889818 NJPYLOQZBCBRMD-CQSZACIVSA-N 426.535 2.384 10 10 IECE COC[C@@H](NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O)[C@@H]1CCCOC1 1652075628 GTKSIACWWMFQPS-CZUORRHYSA-N 440.543 2.426 10 10 IECE COC(=O)CCNC(=O)CCNC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 1681827682 KBCWDRMIPHFCBQ-HNNXBMFYSA-N 438.956 2.445 10 10 IECE 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CCN(CCc1nccs1)C(=O)/C=C/C(=O)N1CCN(c2ccc(OC)cc2)CC1 778393508 GCUMQKANVITIHG-CMDGGOBGSA-N 428.558 2.448 10 10 IECE Cc1cc(C(=O)COC(=O)[C@H]2CCC(C)(C)O2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 785244614 RIINFVALMSEXME-LJQANCHMSA-N 434.514 2.425 10 10 IECE Cc1ccc(C)n1-c1ccsc1C(=O)OCCCn1c(=O)c2c(ncn2C)n(C)c1=O 919565727 JNNVEKWAWYXLJJ-UHFFFAOYSA-N 441.513 2.150 10 10 IECE C[C@H]1CN(c2ccc(CNC(=O)[C@H]3CCC(=O)N(c4cnn(C)c4)C3)cc2F)C[C@@H](C)O1 1125258488 JMYXNDBIRQHUGR-JZXOWHBKSA-N 443.523 2.232 10 10 IECE CC1=C(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)[C@@H](C)n2nnnc2N1C 1141901538 HRPOPHWLLXMLBA-KCQAQPDRSA-N 429.500 2.027 10 10 IECE COCc1nc(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2ccccc2O)cs1 1301209897 KUUIWOREEYEKBD-HNNXBMFYSA-N 428.518 2.222 10 10 IECE CN(C)c1ccc(Cn2c(N(C)CC(=O)N3CCOCC3)nnc2C(C)(C)C)cc1F 1314659310 VKFVOBXMBASHQA-UHFFFAOYSA-N 432.544 2.124 10 10 IECE O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(C(=O)N2CCOCC2)cc1 1355123567 LWWOKLXRUXPCOK-UHFFFAOYSA-N 427.476 2.065 10 10 IECE 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NC(=O)C1CCN(c2ccc(CNC(=O)c3nn(-c4ccc(F)cc4)ccc3=O)cc2)CC1 1133626371 IXNGWYXMIPMXBI-UHFFFAOYSA-N 449.486 2.003 10 10 IECE Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CCO[C@@H](CN3CCOCC3)C2)cc1 1149725156 JFUJZBYICHWMBU-QHCPKHFHSA-N 425.529 2.009 10 10 IECE COc1ccc(N2CCN(C(=O)NCc3cccc(S(C)(=O)=O)c3)CC2)c(OC)c1 1228339368 FCIGNQHKFPTQEG-UHFFFAOYSA-N 433.530 2.139 10 10 IECE C[C@H](NC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1)[C@H](O)c1cccc(F)c1 1255509303 NKVXMIYQZDGGKM-BTYIYWSLSA-N 428.508 2.449 10 10 IECE C[C@H]1C(=O)N(C)[C@H](C)[C@@H](C)N1C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 1437132746 NCVVPBCIKINZHQ-UPJWGTAASA-N 435.436 2.450 10 10 IECE C[C@@H]1CN(c2ccc(CNC(=O)[C@H](NC(=O)C3CCCC3)[C@@H](C)O)cc2F)C[C@@H](C)O1 1441791804 YIUQMCWOQOBIKV-WSOZGMELSA-N 435.540 2.111 10 10 IECE NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@H]3CC[C@H](Nc4ncccn4)CC3)cc2)C1 1441949121 UVKLKZBLRFFEEZ-VAMGGRTRSA-N 436.560 2.465 10 10 IECE CCS(=O)(=O)c1ccc(C(=O)N(CC(=O)OC)Cc2cc(Cl)ccc2O)c(N)c1 1446815476 LVCODFRWOLWIBC-UHFFFAOYSA-N 440.905 2.237 10 10 IECE COC(=O)CC1(NC(=O)Cc2cc(C)n(-c3ccccc3)c2C)CCS(=O)(=O)CC1 1517001347 CRCWKAUCBUREFP-UHFFFAOYSA-N 432.542 2.263 10 10 IECE Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NC[C@H]2CCC[C@@H]2NS(C)(=O)=O)cc1 1545776397 CYWGLEATODIINB-NQIIRXRSSA-N 431.558 2.283 10 10 IECE COC(=O)C1CC2(C1)C[C@@H](NC(=O)N1CCN(c3ccc(OC)c(F)c3)CC1)CCO2 1565340713 OJJAWFJDRGOTJO-BXFSZVDSSA-N 435.496 2.167 10 10 IECE CCOCc1nnc(N2CCCN(c3ccc(OC)cc3)CC2)n1C[C@@]1(O)CCO[C@H]1C 1616884835 TXPXXZIKFRYUQE-MBSDFSHPSA-N 445.564 2.080 10 10 IECE CC(C)(C)OC(=O)NC[C@@H]1OCC[C@@H]1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 1630287702 KPGLMUKRQMZMOC-PMACEKPBSA-N 433.549 2.194 10 10 IECE Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 1646430910 FGXLPLLMYXFIOI-QFIPXVFZSA-N 438.507 2.182 10 10 IECE CCOC(=O)C1CCC(O)(C[C@@H](O)CN[C@@H](C)c2ccc(N3CCOCC3)cc2)CC1 1653993505 GYNCSHPARAICMQ-VSLRBXKBSA-N 434.577 2.409 10 10 IECE COc1ccc(N2CCN(C[C@@H](O)COc3ccc4c(c3)CCC(=O)N4)CC2)cc1F 1657763586 LTASXDDSBKOYQZ-GOSISDBHSA-N 429.492 2.281 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O=C(N[C@@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cccc(Cl)n1 1866567716 XWLAGYVMZVXWLZ-KRWDZBQOSA-N 449.850 2.240 10 10 IECE C[C@@H](C(=O)NCCCn1ccnc1)N1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 33542998 ULZLEXGOAVWUNV-VZWMTCDZSA-N 444.538 2.408 10 10 IECE Cc1cccc(OC[C@H](O)CN(Cc2ccc(N(C)C)cc2)[C@H]2CCS(=O)(=O)C2)c1 256037483 DPXIWPSHMQEFBJ-FCHUYYIVSA-N 432.586 2.490 10 10 IECE COc1ccc(N2CCN(C(=O)COC(=O)c3cc(Cl)nc(N(C)C)c3)CC2)cc1 733571565 PTCDXAAUMJJDDG-UHFFFAOYSA-N 432.908 2.315 10 10 IECE COC(=O)CC[C@@H]1CC[C@H](C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)O1 1127181938 QFLXRLDTTMDSQH-FCHUYYIVSA-N 429.561 2.336 10 10 IECE COCCNC(=O)Cn1cc(NC(=O)Cc2ccc(-n3c(C)cc(C=O)c3C)cc2)cn1 1137089080 DRMVTQAGRBWCEQ-UHFFFAOYSA-N 437.500 2.047 10 10 IECE C[C@H]1CN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CCN1C(=O)c1cscn1 1479534187 LXGRDMGAGXRLMP-JXFKEZNVSA-N 444.605 2.368 10 10 IECE C[C@@H]1C(=O)N(C)CCN1c1nnc(C(C)(C)C)n1Cc1ccc(N2CCOCC2)c(F)c1 1493165921 ROPBOISNMUHRBG-MRXNPFEDSA-N 444.555 2.267 10 10 IECE CC(C)(CN1CCOCC1)NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 1525446828 KLTIEBRRANBACI-UHFFFAOYSA-N 437.452 2.211 10 10 IECE CC1CCN(c2ccc(CNC(=O)[C@H](CO)NC(=O)Cc3ccc(F)cc3)cc2)CC1 1543146544 UPEBHUVEKUKLSU-QFIPXVFZSA-N 427.520 2.398 10 10 IECE CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(N(C)C)cc2C)C[C@@H]1C 1547717927 KZMDZOVPEIVIMM-IBGZPJMESA-N 439.608 2.354 10 10 IECE CCOCc1nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n1Cc1ccc(N(C)C)c(F)c1 1548073317 BMQCWJMZFHBIRH-HUUCEWRRSA-N 441.573 2.326 10 10 IECE CCc1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1613923650 ZKTMZGOZPDGHCU-AEFFLSMTSA-N 433.578 2.387 10 10 IECE CNC(=O)[C@H]1CCCN(c2nnc(-c3cnccn3)n2Cc2ccc(N(C)C)cc2C)C1 1618642654 WJNKXQYLWGALIV-SFHVURJKSA-N 434.548 2.120 10 10 IECE COc1ccc(N2CCN(C(=O)[C@H]3CCCN(CC(=O)OC(C)(C)C)C3=O)CC2)cc1F 1635889440 CPHLLKXVWAUHGE-QGZVFWFLSA-N 449.523 2.063 10 10 IECE CC(=O)N1CCN(c2ccc(CNC(=O)C[C@@H]3CCC4(CCOCC4)CO3)cc2)CC1 1638586828 BRWFPXTYYWHSTG-QFIPXVFZSA-N 429.561 2.337 10 10 IECE 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CCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2C)[C@@H]1c1ccc(O)c(O)c1 1864014721 AWBTWYBZIGMJLI-LBPRGKRZSA-N 426.395 2.461 10 10 IECE CCCCn1c(O)nc(=O)c2c1nc(CN1CCN(c3ccc(OC)cc3)CC1)n2CC 302735236 GDMHYRYBKDTUJT-UHFFFAOYSA-N 440.548 2.449 10 10 IECE C[C@H]1CN(c2ccc(CNC(=O)N3CCN(Cc4nccn4C)CC3)cc2F)C[C@H](C)O1 730064592 IYVSREFEQSYLMN-ROUUACIJSA-N 444.555 2.200 10 10 IECE Cc1cc(S(N)(=O)=O)sc1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 761984346 YMFPRZWHMSKASD-CQSZACIVSA-N 443.978 2.457 10 10 IECE NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NCc3ccnc(OC(F)F)c3)cc2)C1 790938000 HDBFULGHSKBVMP-INIZCTEOSA-N 433.459 2.384 10 10 IECE Cc1cc(C(=O)CN2CCC[C@@H](S(=O)(=O)N(C)C)C2)c(C)n1-c1ccc2c(c1)OCO2 796131343 CTDUROREZUUSML-GOSISDBHSA-N 447.557 2.361 10 10 IECE COc1ccc(N2CCN(CCNC(=O)C(=O)N[C@H](C)CC3CCCCC3)CC2)cc1 803746657 GDTHJARCCTVHEG-LJQANCHMSA-N 430.593 2.409 10 10 IECE CON(C)S(=O)(=O)c1cccc(C(=O)NCc2cc(Br)ccc2O)c1 804733839 OKODCHBWCRDTRD-UHFFFAOYSA-N 429.292 2.267 10 10 IECE CCN(CC)c1ccc(CN(C)C(=O)C(=O)NCc2cccc(N3CCOCC3)n2)cc1 805748186 AWZYEOAJDGGMJF-UHFFFAOYSA-N 439.560 2.039 10 10 IECE Cc1cc(C(=O)NN2CCS(=O)(=O)CC2)c(C)n1-c1ccc(Br)cc1 1147898394 WVDQRORAIZEZSQ-UHFFFAOYSA-N 426.336 2.232 10 10 IECE CN1CCN(c2ccc(CNC(=O)NC[C@H]3CC(=O)N(Cc4ccccc4)C3)cc2)CC1 1225646029 DKANNVZMDNEEMZ-JOCHJYFZSA-N 435.572 2.286 10 10 IECE CN1CCN(c2ccc(CNC(=O)NC3CCN(C(=O)CC(F)(F)F)CC3)cc2)CC1 1313212429 RXCMRMLAGBJBBU-UHFFFAOYSA-N 441.498 2.181 10 10 IECE CCOCc1nnc(N2CCN(C(C)=O)C[C@H]2C)n1Cc1ccc2c(c1)CCCN2C 1314385321 PNUUKQJFIJRFHZ-QGZVFWFLSA-N 426.565 2.302 10 10 IECE COc1ccc(N2CC[C@@H](NC(=O)c3ccc(-n4cc(Br)cn4)nn3)C2)cc1 1437582103 VVVPFMLBWCIUCX-CQSZACIVSA-N 443.305 2.442 10 10 IECE COc1ccc(N2CC[C@@H](CNC(=O)c3cnn(CC(=O)NC4CCCC4)c3)C2)cc1 1452034153 RPXIPMJIPBCDSZ-KRWDZBQOSA-N 425.533 2.207 10 10 IECE CCN(CCS(C)(=O)=O)c1nnc(-c2cccn2C)n1Cc1ccc(N(C)C)c(F)c1 1502209527 FZXBDVNJGFHCLY-UHFFFAOYSA-N 448.568 2.408 10 10 IECE COc1ccc(N2CCN(C(=O)c3cccc(S(=O)(=O)NC4CC4)c3)CC2)c(OC)c1 1530968728 XXBUSJKXQKDJTG-UHFFFAOYSA-N 445.541 2.107 10 10 IECE COc1ccc(N2CCCN(c3nnc(-c4cnccn4)n3C[C@@H](C)N(C)C)CC2)cc1 1554960100 ZPFJTDQJMXBNJH-GOSISDBHSA-N 436.564 2.411 10 10 IECE CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3CCN(Cc4ccccc4)C3=O)cc2)CC1 1556199134 BYKHUTJIDFJSOK-QHCPKHFHSA-N 434.540 2.020 10 10 IECE O=C(CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)NCCC[C@@H]1C=NNC1=O 1585938537 YPLCDCGYJSAVFD-NWFCWYBLSA-N 434.518 2.045 10 10 IECE Cc1ccc(C(=O)N2CCC(n3cc(C(N)=O)nn3)CC2)cc1-n1c(C)cc(C=O)c1C 1629474533 ATVNPLKGGHEJSL-UHFFFAOYSA-N 434.500 2.383 10 10 IECE CC(C)(C)OC(=O)N1CCO[C@@](C)(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 1633793513 IHDLCAANMRMDFB-HSZRJFAPSA-N 433.549 2.290 10 10 IECE CNC(=O)OC[C@@H]1CCCCN1C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 1635996742 LICSEYWZLAIESV-HNNXBMFYSA-N 426.464 2.222 10 10 IECE COC(=O)[C@@]1(CNC(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)C[C@@H]1S(C)(=O)=O 1637192962 GCSJFGJICVVIFB-FXAWDEMLSA-N 438.933 2.454 10 10 IECE O=C(NCc1cc(Cl)ccc1O)[C@@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1 1639966226 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IECE CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(NS(C)(=O)=O)cc2)c1 747778406 NFTXYMQVBNKMPB-UHFFFAOYSA-N 431.923 2.214 10 10 IECE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 751292605 WNJQCUKFXIXIRU-DOTOQJQBSA-N 436.505 2.406 10 10 IECE COc1ccc(-n2cc(CNC(=O)N3CCN(c4ccc(OC)c(F)c4)CC3)nn2)cc1 755218040 XGNYREUBAHPZPK-UHFFFAOYSA-N 440.479 2.455 10 10 IECE CC(=O)N1CCN(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)[C@H](C)C1 763590684 RCPSNQFHASUBAH-CQSZACIVSA-N 428.455 2.304 10 10 IECE CNC(=O)c1ccccc1OCC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 768520761 AUPHLANPDZBQPS-HOTGVXAUSA-N 429.492 2.494 10 10 IECE O=C1C[C@@H]([C@@H]2CCCCN2C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)CN1 770147761 ADTFTLOGDHBCMN-CJNGLKHVSA-N 449.554 2.385 10 10 IECE COc1ccc(N2CCC(NC(=O)C(=O)N3CCn4c(C(C)C)nnc4[C@@H]3C)CC2)cc1 804318331 HWSMNLQHORVEMQ-INIZCTEOSA-N 440.548 2.099 10 10 IECE COC(=O)/C=C\c1ccc(N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)c([N+](=O)[O-])c1 912601340 ZHFWYHUEXWLUMC-CLTKARDFSA-N 439.424 2.472 10 10 IECE COc1ccc2c(c1OC)[C@H](O)[N@@+]1(C)CCc3cc4c(c(O)c3[C@@H]1[C@H]2OC(C)=O)OCO4 936069451 ZMVJJIWEZXWPAJ-KUHDOKTFSA-O 444.460 2.491 10 10 IECE in-vitro COc1cc(N2CCN(C(=O)[C@@H]3CC(=O)N[C@H]4CCCC[C@H]43)CC2)cc(OC)c1OC 1127836948 PKPJXMJARKGTFK-KSZLIROESA-N 431.533 2.056 10 10 IECE CN(C)c1ccc([C@H](CNC(=O)CN2C(=O)C(F)(F)Oc3ccccc32)N(C)C)cc1 1134882405 OWZIQUULBXZUSP-SFHVURJKSA-N 432.471 2.490 10 10 IECE CC(=O)N1CCN(c2ccc(CNC(=O)C3([C@@H]4CCCCO4)CCOCC3)cc2)CC1 1138230284 MQPGZHZFDSWOPE-QFIPXVFZSA-N 429.561 2.337 10 10 IECE Cn1ccnc1[C@@H](NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)C(C)(C)CO 1195576501 JIGSNMUZSHNODB-HSZRJFAPSA-N 446.507 2.483 10 10 IECE O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)NC1CCN(c2cccnn2)CC1 1234154558 UFLYELSJLKFFKJ-UHFFFAOYSA-N 432.475 2.060 10 10 IECE NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)Cn3nc(C(F)(F)F)c4c3CCC4)cc2)C1 1356434951 YWOPZINAKYHOGA-OAHLLOKOSA-N 449.477 2.409 10 10 IECE CCN(CC)c1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@H](C(=O)OC)C2)cc1 1501830189 JSNGDZOCLLAHRA-GOSISDBHSA-N 442.564 2.310 10 10 IECE CCC(CC)NC(=O)c1nnc(N(C)Cc2ccccc2O)n1C[C@H](C)N1CCOCC1 1513316259 ZDJFPSBSIJXZRC-KRWDZBQOSA-N 444.580 2.259 10 10 IECE CNC(=O)C(C)(C)Cn1c(C2CC2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1517439541 PGAJXGGWXNXQMB-UHFFFAOYSA-N 430.528 2.402 10 10 IECE O=C(c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O)N(C1CC1)C1COC1 1556746785 QAEXEAPONOEVBE-UHFFFAOYSA-N 433.442 2.105 10 10 IECE CC(=O)c1cn(C2CN(C(=O)N[C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3)C2)nn1 1564200775 SVNKLCBMPVQTHH-CQSZACIVSA-N 434.447 2.317 10 10 IECE CCOCc1nnc(N2CC(=O)N[C@@H]3CCCC[C@H]32)n1Cc1ccc(N(C)C)c(F)c1 1616723004 YKDLJPHGYFMLFP-IEBWSBKVSA-N 430.528 2.315 10 10 IECE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)N3CC[C@@H]4CCCC[C@@H]4C3)cc2)CC1 1663365487 KFNXVBHLOIBJPM-LEWJYISDSA-N 434.606 2.202 10 10 IECE CC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1)OC 1694396536 GDCJLJZRNSABSX-WOJBJXKFSA-N 442.564 2.127 10 10 IECE CNC(=O)N1CCN(c2nnc(-c3ccc[nH]3)n2CCCSc2nccs2)CC1 1711409706 TXKSRPZRXPRUPE-UHFFFAOYSA-N 432.579 2.374 10 10 IECE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cccn2C)n1Cc1ccc(N(C)C)c(F)c1 1743197209 CSFMKYAUNQFAIQ-OAHLLOKOSA-N 425.512 2.204 10 10 IECE CON(C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(N2CCC(CO)CC2)cc1 1750167961 DPINVGGPWIMVAU-UHFFFAOYSA-N 439.564 2.394 10 10 IECE COC(=O)[C@@H]1CCN(c2nnc(CC(C)C)n2Cc2ccc(N3CCOCC3)cc2)C1 1769431595 AYRKIDBAWLCDHZ-LJQANCHMSA-N 427.549 2.361 10 10 IECE O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]12)NCc1ccc(N2CCC(CO)CC2)cc1 736195490 HNRAPSBNPIKWHK-JAXLGGSGSA-N 446.617 2.237 10 10 IECE O=C(NCc1ccc(N2CCN(CC3CC3)CC2)cc1)N1CCC[C@H](Cn2ccnn2)C1 769034226 LZHOBOTXVCJZTQ-QFIPXVFZSA-N 437.592 2.432 10 10 IECE CC(C)N1CCc2c(c3ccccc3n2CC(=O)OCc2nc(CS(C)(=O)=O)no2)C1 769664131 XPUALEOKUHBSEC-UHFFFAOYSA-N 446.529 2.079 10 10 IECE COc1ccc(N2CCN(CCCNC(=O)N[C@H](c3ccccc3)c3nc[nH]n3)CC2)cc1 782919317 UYGBTPNMPRUBMB-JOCHJYFZSA-N 449.559 2.414 10 10 IECE CN(C)C(=O)CN1[C@H]2CC[C@H]1CC(NC(=O)NCc1cc(Br)ccc1O)C2 807514939 TYPQZYWIMVGPHG-HOTGVXAUSA-N 439.354 2.038 10 10 IECE NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N[C@H]3COc4ccc(F)cc4C3)cc2)C1 812009794 KGKBHPVYMLYAAY-VQIMIIECSA-N 426.492 2.330 10 10 IECE COc1ccc(N2CCCN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1 1136336144 CXWJVVSRRFFHLE-UHFFFAOYSA-N 432.565 2.287 10 10 IECE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F 1162115534 SPBSZQIKZRYJLR-JWNTYJGQSA-N 441.547 2.452 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NC[C@@H]3CCN(C(C)(C)C)C3)CC2)cc1 1166484879 VFNQVPGCXKUPNZ-YXBWYFRISA-N 428.577 2.137 10 10 IECE O=C(CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)N1CCN(C2CC2)C(=O)C1 1265678123 KDWJLEMXMFPSDA-LFIBNONCSA-N 433.530 2.250 10 10 IECE CC(=O)N1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(N(C)C)cc2C)[C@H](C)C1 1301733218 YCYSLKQRYMLMJB-QGZVFWFLSA-N 434.548 2.215 10 10 IECE CN(C)c1ccc([C@H](CNC(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)N(C)C)cc1 1479532862 CWDACBXETYJSNB-RXVVDRJESA-N 429.540 2.138 10 10 IECE CNC(=O)[C@@H]1CN(c2nnc(CC(C)(C)C)n2CCCSc2nccs2)CCO1 1517541445 DALQASZMFMFAGU-AWEZNQCLSA-N 438.623 2.457 10 10 IECE 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CCOc1ccc([C@H]2CC(=O)NC(NC(=O)c3cc(OC)c(OC)c(OC)c3)=N2)cc1 20925024 MPUCRWAEJJFLOJ-MRXNPFEDSA-N 427.457 2.458 10 10 IECE CCOCCCNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(CCOC)C1=O 33860438 KQBPQGNJLRZPND-FYWRMAATSA-N 448.570 2.381 10 10 IECE CCCCN1C(=O)[C@H]2[C@H](C1=O)[C@@](Cc1ccc(O)cc1)(C(=O)O)N[C@H]2c1ccccc1O 248207887 BXCSSNORWIFYDO-VKDGWMQASA-N 438.480 2.210 10 10 IECE Cc1ccccc1OC[C@@H](O)CN(Cc1ccc(N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 256039118 WBLBYMXUXXMQTO-VXKWHMMOSA-N 432.586 2.490 10 10 IECE [N-]=[N+]=NCCOCCOCCOCc1ccc(COc2nc(N)nc3[nH]cnc23)cc1 575598797 XDCGGQOZJCRWNB-UHFFFAOYSA-N 428.453 2.374 10 10 IECE NS(=O)(=O)c1ccc(NC(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)cc1 768391483 ONKSIPRFKFCWKS-UHFFFAOYSA-N 443.573 2.188 10 10 IECE Cc1cc(C(=O)COC(=O)CN2CCOCC2=O)c(C)n1-c1ccc(OC(F)F)cc1 790728855 AGXOLLIFLMJMTA-UHFFFAOYSA-N 436.411 2.280 10 10 IECE COc1ccc(N2CCN(C(=O)CN3CCO[C@@H](COc4ccccc4)C3)CC2)cc1 792375189 DUYDOZOLWHFWAX-HSZRJFAPSA-N 425.529 2.124 10 10 IECE COc1cc(N2CCN(CCOCCNC(=O)OC(C)(C)C)CC2)cc(OC)c1OC 1169072926 PPCIEVKYKWQKMB-UHFFFAOYSA-N 439.553 2.376 10 10 IECE CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F 1292179539 USYNSPFFNINGKT-RBBKRZOGSA-N 427.520 2.445 10 10 IECE CN(Cc1ccccc1O)c1nnc(C(=O)N2CCCC2)n1CCCO[C@@H]1CCOC1 1298360627 UQYMFIJBIYAEQC-GOSISDBHSA-N 429.521 2.052 10 10 IECE Cc1cc(N(C)C)ccc1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@]2(CCOC2)C1 1304236763 MOWWPOQJWARKDL-QHCPKHFHSA-N 426.565 2.456 10 10 IECE CC[C@H](Sc1nc(CC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)cs1)C(N)=O 1437578484 NKQGQDPBFMUASD-GUYCJALGSA-N 434.587 2.445 10 10 IECE CNC(=O)N1CCN(c2nnc(C(C)C)n2Cc2ccc(N3CCSCC3)cc2)CC1 1517609184 TYNLOSZGMUFDBP-UHFFFAOYSA-N 443.621 2.464 10 10 IECE C[C@](O)(CNC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1)c1ccc(F)cc1 1565363618 UFDSGDOKPDSNCT-QHCPKHFHSA-N 428.508 2.234 10 10 IECE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3occc3C(C)C)CC2)cc1 1585654089 PVPSSUPMJXHMLS-UHFFFAOYSA-N 435.546 2.293 10 10 IECE C[C@@H]1CC[C@@H](C(N)=O)[C@@H](C)N1C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 1627711934 UIJBRVHNLHZAHA-YRGRVCCFSA-N 437.543 2.369 10 10 IECE CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)NCc3cc(F)c(N4CCOCC4)c(F)c3)[C@H]2C1 1635917819 JDRBGYLFQFWQEP-ABSDTBQOSA-N 436.503 2.248 10 10 IECE Cc1cc(C(=O)N[C@@H]2CCc3nnnn3CC2)c(C)n1-c1ccc(Br)cn1 1638281572 OAUVUSYTVFHIPS-CQSZACIVSA-N 430.310 2.373 10 10 IECE COc1ccc(N2CC[C@H](CNC(=O)C3=NO[C@@H](CNC(=O)OC(C)(C)C)C3)C2)cc1 1643350015 AYWSETGGMOQBSI-CRAIPNDOSA-N 432.521 2.307 10 10 IECE Cc1c(C(=O)NCc2cc(O)ccc2O)nnn1C1CCN(C(=O)OC(C)(C)C)CC1 1651222578 JYKOEKGVZXNDDS-UHFFFAOYSA-N 431.493 2.500 10 10 IECE CCS(=O)(=O)c1ccccc1CCNC(=O)NCc1ccc(N2CCN(C)CC2)cc1 1675580389 MDHNAKMDQOBILV-UHFFFAOYSA-N 444.601 2.274 10 10 IECE Cc1cccc([C@H]2C(=O)NCCN2C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)c1 1687633092 YZEPIYSWBHRBPA-QFIPXVFZSA-N 449.555 2.079 10 10 IECE CN1CC[C@@](O)(Cn2c(-c3ccc(Cl)nc3)nnc2N(C)Cc2ccccc2O)C1 1769060275 NKBQZYOUNIVQIT-NRFANRHFSA-N 428.924 2.402 10 10 IECE CCOC(=O)/C=c1\s/c(=C\c2ccc(N(C)C)cc2)c(=O)n1CC(=O)c1ccccc1 3394453 NTCYEKKOHVFJOI-HHQODBOJSA-N 436.533 2.031 10 10 IECE O=C(O)CCOc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccncc3)C2=O)cc1 16907922 MNWOJNVKFCBEMM-RVDMUPIBSA-N 429.479 2.481 10 10 IECE C[C@@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S 33545737 KBXYGTSJFRYESQ-AEZZDWBPSA-N 444.987 2.233 10 10 IECE Cc1cc(C(=O)CN2CCN([C@H]3CCS(=O)(=O)C3)CC2)c(C)n1-c1ccc(F)cc1 727298395 VRHLFSYGEYAHFN-FQEVSTJZSA-N 433.549 2.221 10 10 IECE CCOC(=O)C1(O)CCN(CC(=O)c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)CC1 749843339 BRWWVSLXACIFLN-UHFFFAOYSA-N 442.512 2.453 10 10 IECE Cc1cc(C(=O)COC(=O)Cn2c(C)cc(O)cc2=O)c(C)n1-c1ccc2c(c1)OCO2 759918768 YZCWCISLVVTFLF-UHFFFAOYSA-N 438.436 2.425 10 10 IECE O=C(Cn1c(O)nc2ccccc2c1=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 768911816 IZMKIACRHKNHMD-MRXNPFEDSA-N 442.903 2.242 10 10 IECE CN(Cc1ncnn1CC(F)F)C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 787301175 DYLRIRNGIBCIBE-UHFFFAOYSA-N 447.534 2.417 10 10 IECE COc1ccc(N2CCN(C(=O)COC(=O)Cc3c(F)cc([N+](=O)[O-])cc3F)CC2)cc1 808563605 RLGJYUGIBPSRBW-UHFFFAOYSA-N 449.410 2.316 10 10 IECE CC1(C)CN(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CCS1(=O)=O 813059471 ZZXDUOCDWMXEKY-UHFFFAOYSA-N 431.505 2.475 10 10 IECE O=C1COC[C@H](C[C@@H]2CN(S(=O)(=O)c3ccc(Cl)c4nonc34)c3ccccc32)N1 814394100 QQKPRWIMSHBMRX-NEPJUHHUSA-N 448.888 2.074 10 10 IECE Cc1c(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)nnn1-c1cnn(C)c1 1125131911 NNGYTQWVHKXIKB-UHFFFAOYSA-N 449.437 2.095 10 10 IECE CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)OCC 1138054949 KRSSNIABUAVJMA-ROUUACIJSA-N 444.484 2.046 10 10 IECE COc1ccc(N2CC[C@@H](CNC(=O)c3cc4c(c(S(N)(=O)=O)c3)CCC4)C2)cc1 1142797518 ANDHQPWSZBXAMT-HNNXBMFYSA-N 429.542 2.088 10 10 IECE COC(=O)[C@@H]1CN([C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C[C@H](C)O1 1171714717 UEXSAIYCDPKQRP-KSMMKXTCSA-N 436.464 2.051 10 10 IECE COC(=O)[C@]12CCC[C@H]1CN(CC(=O)NCc1ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c1)C2 1197401865 CINGXUBPSDWLAM-MIVVTYSHSA-N 447.551 2.331 10 10 IECE COCCOc1ncccc1Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccccc1O 1302139375 GSLQBLQGWDCJIB-UHFFFAOYSA-N 449.515 2.489 10 10 IECE CN1CCN(c2ccc(CNC(=O)NCc3nc(COc4ccccc4)n[nH]3)cc2)CC1 1312538076 LDKMTZSYVQUMQK-UHFFFAOYSA-N 435.532 2.135 10 10 IECE COc1ccc(N2CCN(C(=O)c3c(CNC(=O)OC(C)(C)C)cnn3C)CC2)cc1 1445726891 BFFWPTQNFLTECS-UHFFFAOYSA-N 429.521 2.416 10 10 IECE NC(=O)C1CCN(c2ccc(CNC(=O)NCc3cc(OCC(F)F)ccn3)cc2)CC1 1469584677 UIBRSGIIZFMQOQ-UHFFFAOYSA-N 447.486 2.427 10 10 IECE COCCO[C@@H](C)c1nnc(N2CCC[C@H](C(N)=O)C2)n1Cc1ccc(N(C)C)cc1C 1504973271 JHEPHULLAVCGJM-HKUYNNGSSA-N 444.580 2.127 10 10 IECE COc1ccc(N2CC[C@H](NC(=O)c3ccc4c(c3)CCCN4S(C)(=O)=O)C2)cc1 1532107936 WICBFAYPGNAUQX-SFHVURJKSA-N 429.542 2.416 10 10 IECE C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)cc1 1540488503 UKFFUFXCESGLFK-QGZVFWFLSA-N 431.558 2.218 10 10 IECE COCCNC(=O)[C@H](C)OC(=O)c1ccc(NC(=O)c2ccc(C3=S=CC=C3)o2)cc1 1544312668 ZEGNEHNEJMAJJR-AWEZNQCLSA-N 442.493 2.466 10 10 IECE CN(C)c1ccc(Cn2c(Cc3cccnc3)nnc2N2CC[C@@](C)(C(N)=O)C2)cc1F 1617666963 HKMULANSTSOGKT-HSZRJFAPSA-N 437.523 2.219 10 10 IECE CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCc3nc[nH]c3[C@@H]2c2ccc(F)cc2)c1 1644715307 RVNYVGUBAXNOLW-IBGZPJMESA-N 430.461 2.414 10 10 IECE O=C(NCc1c(O)ccc2ccccc12)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 1652708795 NESKAOXMTSLOEO-SFHVURJKSA-N 434.901 2.154 10 10 IECE COC(=O)[C@@H]1CN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)Cc2ccccc21 1654423918 DJHBGQUZVVXSAY-HXUWFJFHSA-N 441.503 2.051 10 10 IECE CC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1)OC 1694396530 GDCJLJZRNSABSX-UXHICEINSA-N 442.564 2.127 10 10 IECE CC(C)c1nnc(N2CCC[C@@H](C(N)=O)C2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1723172922 MVOUQWYHRGOQEF-HXUWFJFHSA-N 440.592 2.360 10 10 IECE CC(C)Cc1nnc(N2CC[C@H](C(N)=O)C2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1750723568 OGXSAIWKAXLNNS-FQEVSTJZSA-N 440.592 2.045 10 10 IECE CS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C(=N)N21 96459688 SCKSBYCRYBRUHK-ZJMWYTODSA-N 445.438 2.476 10 10 IECE C[C@H](OC(=O)[C@@H](O)C1CCOCC1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 735946235 WZGHRUSJJFAASP-RBZFPXEDSA-N 437.448 2.120 10 10 IECE CN1CCCc2cc(CNC(=O)CNC(=O)[C@H]3CCCN3C(=O)OC(C)(C)C)ccc21 755196495 VTFPMDCOLLKTKT-LJQANCHMSA-N 430.549 2.201 10 10 IECE C[C@@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)N1CCN2C(=O)OCC[C@@H]2C1 764445125 BKJLCUBSMKEUMD-GOEBONIOSA-N 433.464 2.316 10 10 IECE CCOC(=O)c1cnn2c(O)cc(CN[C@](C)(CO)c3ccc(Br)cc3)nc12 796276942 ARKPKTDKTYTBGI-LJQANCHMSA-N 449.305 2.371 10 10 IECE CS(=O)(=O)c1ccc(C(=O)NCc2cc(Br)ccc2O)cc1[N+](=O)[O-] 804737138 JHRONOXQAKDQTJ-UHFFFAOYSA-N 429.248 2.396 10 10 IECE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)/C=C(/C)c3cccs3)CC2)cc1 1130659958 NWWBZHGCNJTTKF-MSUUIHNZSA-N 449.598 2.428 10 10 IECE COc1ccc(N2CC[C@@H](NC(=O)[C@H](Cc3cccc(OC)c3)n3nnnc3C)C2)cc1 1130827171 VIAIBNSIIGNZMJ-GCJKJVERSA-N 436.516 2.178 10 10 IECE CN(Cc1ccccc1O)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCCN1CCCO 1298363504 FMRFEUZOVKHHLE-UXHICEINSA-N 429.565 2.361 10 10 IECE CCOc1ccc(N2CCN(C(=O)CNS(=O)(=O)c3cc(C)ccc3C)CC2)cc1 1446414215 FKFHVJMHFPULDQ-UHFFFAOYSA-N 431.558 2.329 10 10 IECE O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)NCCCn1cccnc1=O 1449075887 QCGQPCNIOVEUPE-FYWRMAATSA-N 448.595 2.493 10 10 IECE Cc1ccccc1CC(=O)N1CCN(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)CC1 1479185200 BSMXVXMFFLVKSR-UHFFFAOYSA-N 449.599 2.343 10 10 IECE CN(C)c1ccc([C@@H](CNC(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)N(C)C)cc1 1479532864 CWDACBXETYJSNB-WIYYLYMNSA-N 429.540 2.138 10 10 IECE Cc1cc(N(C)C)ccc1Cn1c(-c2cnccn2)nnc1N1CCN(CC(C)C)C(=O)C1 1510673199 LOVNXYXEOAQWIM-UHFFFAOYSA-N 448.575 2.462 10 10 IECE CC[C@@H](C)c1nnc(N2CCNC(=O)CC2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1513057076 CLPDSRPFBZKTBD-GOSISDBHSA-N 440.592 2.375 10 10 IECE COc1cc(N2CCN(C(=O)[C@@]3(C4CCCC4)CCNC3=O)CC2)cc(OC)c1OC 1538075907 FEKMZDUGGVAHKB-HSZRJFAPSA-N 431.533 2.058 10 10 IECE COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(c2ccc(OC)cc2)CC1 1546188378 XTAUNQYAAYCDML-SFHVURJKSA-N 435.521 2.237 10 10 IECE Cc1nn(C)cc1C1=NO[C@@H](C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)C1 1566356962 SLXIDBQPTYRLBS-OXJNMPFZSA-N 431.924 2.361 10 10 IECE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCc1cc(OC)c(O)c(OC)c1 1611050092 VCHAVGAGNQUTDL-HNNXBMFYSA-N 433.457 2.044 10 10 IECE CCN(CC)Cc1cc(CN[C@@H]2C[C@@H]3C(=O)N[C@@H](CC(C)C)C(=O)N3C2)ccc1OC 1615699299 HEGKCITVCRQHSJ-QHAWAJNXSA-N 430.593 2.141 10 10 IECE O=C1/C(=C/c2ccc(F)cc2)SC(=S)N1CCC(=O)N1CCSC[C@H]1CO 1632043821 VUQHFXUKRNWMDM-WJQTUHTMSA-N 426.560 2.353 10 10 IECE CCN(CC)c1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](C(N)=O)C2)cc1 1695620806 PZATUKKJDICGCO-SFHVURJKSA-N 441.580 2.013 10 10 IECE CC(C)NC(=O)c1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1Cc1ccc2c(c1)CCCN2C 1723628929 BHIFAHVNNCFSJQ-UZLBHIALSA-N 426.565 2.054 10 10 IECE COCCCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(CCOC)C1=O 2040500690 LKCJGLCFZPFWKA-UHFFFAOYSA-N 448.570 2.299 10 10 IECE CN(C(=O)CN1C(=O)C(=Cc2cccc(Cl)c2)SC1=S)[C@H]1CCS(=O)(=O)C1 2296567591 WDALGQFFNUILMG-ZDUSSCGKSA-N 444.987 2.187 10 10 IECE Cc1ccc(S(=O)(=O)NCCC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 749405614 HQYCWGAFIPSPBQ-UHFFFAOYSA-N 449.548 2.080 10 10 IECE COc1cc(N2CCN(CC(=O)N3CCO[C@@H]4CCCC[C@H]43)CC2)cc(OC)c1OC 759880232 ZYHHZUQOGRIIJI-RTBURBONSA-N 433.549 2.004 10 10 IECE COc1ccc(N2CCN(CCNC(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C(F)(F)F)CC2)cc1 785554145 CWGXPHQEAIQBLX-YRXWBPOGSA-N 427.467 2.289 10 10 IECE O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1 806846801 XWFCMWQOQJSDSG-IBGZPJMESA-N 426.542 2.325 10 10 IECE CCOC(=O)CN(Cc1ccccc1O)C(=O)CCc1c(C)nc2[nH]n(C)c(=O)c2c1C 1142690884 QGIYWXQNGQMELY-UHFFFAOYSA-N 440.500 2.109 10 10 IECE COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(C(=O)COc4ccccc4)C3)C2)cc1 1227144034 IYPITFVQQPTNPL-OALUTQOASA-N 438.528 2.253 10 10 IECE CN(C)c1ccc([C@H](CNC(=O)c2cccc(N3CCCS3(=O)=O)c2)N(C)C)cc1 1289600286 PQJGVKLPTJMQNQ-NRFANRHFSA-N 430.574 2.325 10 10 IECE CN1CCCc2cc(Cn3c([C@H]4CCCOC4)nnc3N(C)CCS(C)(=O)=O)ccc21 1298886364 GCLDELCKMAEPGQ-IBGZPJMESA-N 447.605 2.084 10 10 IECE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)CNS(=O)(=O)c1ccc2c(c1)COC2 1451670079 PEYRRAUMSCMCFQ-MRXNPFEDSA-N 431.558 2.117 10 10 IECE NC(=O)c1ccc(/C=C/C(=O)N2CCC[C@H]2C(=O)NCc2cc(Cl)ccc2O)cc1 1452946194 NCPSWNXTENSRKI-DNXKIMQPSA-N 427.888 2.465 10 10 IECE CN(C)CCS(=O)(=O)c1ccccc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C 1456938645 XCGZBPXUQTXVQZ-OAQYLSRUSA-N 446.617 2.121 10 10 IECE Cc1nc(-c2cccnc2)nc(O)c1CC(=O)NCc1ccc(N2CCC(O)CC2)cc1 1470445510 CIWVYLBGZXTEPW-UHFFFAOYSA-N 433.512 2.373 10 10 IECE CCN1CCN(C[C@H](C)Cn2c([C@@H]3CCOC3)nnc2N(C)Cc2ccccc2O)CC1 1502343393 OIENZCPEQCWOEY-PZJWPPBQSA-N 442.608 2.398 10 10 IECE CN(Cc1ccccc1O)c1nnc([C@@H]2CCC(=O)N2)n1CCC(=O)NC1CCCCC1 1517149806 VUMNWXUHSVCCPT-SFHVURJKSA-N 440.548 2.410 10 10 IECE COCCn1cc(N2C[C@@H](C(=O)N[C@@H](C)Cc3ccc(N(C)C)cc3C)CC2=O)cn1 1536550344 PUCYLQKEPWRAHO-HKUYNNGSSA-N 427.549 2.004 10 10 IECE Cc1nnc(N(C)CCN2C[C@H](C)O[C@H](C)C2)n1Cc1ccc(N2CCOCC2)c(F)c1 1543167487 LELMODCYIHAPIW-HDICACEKSA-N 446.571 2.156 10 10 IECE CCN(C)C(=O)Cn1c(CC2CC2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1547321074 SLQAONRVMFYCTE-UHFFFAOYSA-N 426.565 2.182 10 10 IECE CN(C)c1ccc([C@@H](CNC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)N(C)C)cc1 1558722983 FANBNRYKRAQSTI-OAQYLSRUSA-N 430.574 2.226 10 10 IECE CS(C)(=O)=Nc1cccc(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)c1 1585894771 USQPLASKDCPJBM-UHFFFAOYSA-N 435.571 2.211 10 10 IECE CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1598010233 WWHWWZZAZKXYLV-FQEVSTJZSA-N 428.577 2.432 10 10 IECE CCN1CCN(c2ccc(CNC(=O)c3cnc4c(c3)NC(=O)CS4)cc2F)CC1 1627360146 AZNWNQHRMWFJED-UHFFFAOYSA-N 429.521 2.337 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3C[C@H](O)C[C@H]3c3ccccc3)CC2)cc1 1629731499 HPPQUKOJBHCFAL-NGURJQPQSA-N 435.524 2.235 10 10 IECE O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)c1cc(Cl)cc([N+](=O)[O-])c1O 1631002838 IZEMTEUNTSYDLD-UHFFFAOYSA-N 425.850 2.441 10 10 IECE C[C@H](CNC(=O)OC(C)(C)C)NC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1680357914 MWIJAASGUKGOOZ-OAHLLOKOSA-N 433.553 2.101 10 10 IECE CN1CCN(c2ccc(CNC(=O)N(CCN3CCOCC3)Cc3ccco3)cc2)CC1 1683701839 MZBLOKGXKICQQU-UHFFFAOYSA-N 441.576 2.075 10 10 IECE COc1ccc(N2CCCN(c3nnc([C@H](C)NS(C)(=O)=O)n3[C@H]3C[C@H]3C)CC2)cc1 1711864957 CTVXUELJZAGTLD-GJYPPUQNSA-N 448.593 2.195 10 10 IECE CO[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(N(C)C)c(F)c2)CC1(C)C 1712075672 FSRHOBHCLXNOKZ-SJLPKXTDSA-N 430.528 2.344 10 10 IECE CNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCSc2nccs2)CC1 1769225499 QWVIMBXAWPFHMW-UHFFFAOYSA-N 446.606 2.280 10 10 IECE COC(=O)[C@@H](CS(=O)(=O)Nc1cc(C)c(O)cc1C)NC(=O)OCc1ccccc1 2286032672 IYXYWTSZBJSLJG-QGZVFWFLSA-N 436.486 2.219 10 10 IECE COc1ccc(N2CCN(CCCNC(=O)CNC(=O)c3ccc(C)c(C)c3)CC2)cc1 24089030 KVZBEOFSEHBUTH-UHFFFAOYSA-N 438.572 2.370 10 10 IECE COc1cc([C@H](O)CNCCCCCCNC[C@H](O)c2ccc(O)c(O)c2)ccc1O 201153718 JROQMFXAAYTLIH-FCHUYYIVSA-N 434.533 2.319 10 10 IECE COCc1cncc(C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c1 765002385 SRZBZKPIUOSMSU-UHFFFAOYSA-N 436.491 2.414 10 10 IECE O=C1/C(=C/c2cccs2)SC(=S)N1CCCC(=O)N1CCOC[C@@H]1CCO 769064648 YBXIMHMWKXZOQR-WZMONFQBSA-N 426.585 2.339 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CCC=C(Br)C3)CC2)cc1 799737919 QUKUFAVBKBUYFU-HJWRWDBZSA-N 434.334 2.411 10 10 IECE NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3ccc(S(=O)(=O)C4CC4)cc3)cc2)C1 1125258342 WRQWQVRTZLIYDK-SFHVURJKSA-N 441.553 2.254 10 10 IECE CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1133847903 VOTLQLHLQXPVFA-LJQANCHMSA-N 446.617 2.342 10 10 IECE CC(C)(C)OC(=O)NC[C@@H]1OCC[C@H]1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 1136960656 CCIDFSCUTGRSJY-RTWAWAEBSA-N 447.576 2.441 10 10 IECE O=C(C[C@@H]1CCCC[C@H]1O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 1142090651 OOIWRJGODFAJIW-GHTZIAJQSA-N 427.524 2.500 10 10 IECE COc1ccc(N2CC[C@H](CNC(=O)NCc3cccc(N4CCOCC4)n3)C2)cc1 1235288526 NTUOLJSHSCLFDG-GOSISDBHSA-N 425.533 2.253 10 10 IECE CC(C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccccc1O)N1CCOCC1 1302515591 LGDOLXOSFCEQRE-FQEVSTJZSA-N 439.564 2.377 10 10 IECE Cc1cc(N(C)C)ccc1Cn1c(C2CC2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1304237901 GQOOVOUPIRJGON-UHFFFAOYSA-N 439.608 2.225 10 10 IECE CC(C)(C)c1nnc(N2CC[C@@](C)(C(N)=O)C2)n1Cc1ccc(N2CCOCC2)c(F)c1 1360792053 DTOIDAVBMPBIIT-HSZRJFAPSA-N 444.555 2.301 10 10 IECE COC[C@H]1C[C@@H](O)CN1C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 1469811708 HYIKWHSRCZTYNT-CJJNDWFMSA-N 426.585 2.338 10 10 IECE C[C@@H]1CN(c2ccc(CNC(=O)CN[C@](C)(CO)c3cccc(O)c3)cc2F)C[C@@H](C)O1 1473514702 RPYZLDXCEPEBJV-HOZJOUCCSA-N 445.535 2.258 10 10 IECE CCc1nn(C)c(CC)c1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1O 1513764579 USKWTLBBLDYNOI-SFHVURJKSA-N 437.548 2.478 10 10 IECE CCO[C@]12CCC[C@@]1(NC(=O)/C=C\C(=O)N1CCN(c3ccc(OC)cc3)CC1)CCO2 1603400993 IRMPFSRLYAYCGP-KCVNTPOGSA-N 443.544 2.092 10 10 IECE COc1cc2ccc(NC(=O)C3=S=C(CCNS(C)(=O)=O)C=C3)cc2cc1OC 1618348933 IDLUQFOGHDFHNR-UHFFFAOYSA-N 434.539 2.383 10 10 IECE Cc1cc(C(=O)N[C@@H](CO)[C@H](O)c2cccnc2)c(C)n1-c1ccc(Br)cn1 1643477647 GRRWWRXATVNONA-PKOBYXMFSA-N 445.317 2.471 10 10 IECE COc1ccc(N2CCN(C[C@H](O)CN3CCN(C)C[C@H]3Cc3ccccc3)CC2)cc1 1654950229 FXSUKMAOCIEXAA-RPBOFIJWSA-N 438.616 2.037 10 10 IECE COc1ccc(N2CC[C@H](CNC(=O)NC3(CCO)CN(C(=O)OC(C)(C)C)C3)C2)cc1 1682188135 HMZXSZBHDGGZGX-QGZVFWFLSA-N 448.564 2.193 10 10 IECE CCCN(Cc1ccccc1O)C(=O)NCC(=O)NCC(=O)N(C)Cc1ccccc1 1684001997 FHBWOXAESZPGEJ-UHFFFAOYSA-N 426.517 2.089 10 10 IECE CN(C)c1ccc([C@@H](CNC(=O)N2CCN(C(=O)Cc3ccccc3)CC2)N(C)C)cc1 1685609676 PXFQFJHMDUWEGO-HSZRJFAPSA-N 437.588 2.452 10 10 IECE CO[C@@H]1CCC[C@@H]([C@@H](CO)NC(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)C1 1686724757 BIQVLWLHGSLDLX-GPMSIDNRSA-N 427.492 2.167 10 10 IECE C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)[C@@H](C)C2)n1Cc1ccc(N(C)C)c(F)c1 1692777148 ZAOWZCDBPOLWKM-ZNMIVQPWSA-N 438.573 2.234 10 10 IECE C[C@]1(C(N)=O)CCN(c2nnc(-c3cnccn3)n2CCCSc2nccs2)C1 1741990266 BZLUTJAVCZJBFF-SFHVURJKSA-N 430.563 2.076 10 10 IECE CC1=CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(N(C)C)cc2C)C1 1742468129 DEBZJVINSSJDJL-QGZVFWFLSA-N 432.594 2.467 10 10 IECE C[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(N(C)C)c(F)c2)CC(=O)N1C 1752351055 ZJYKFKQWMNXFLB-BEFAXECRSA-N 430.528 2.440 10 10 IECE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1CCOC[C@H]1OC 1770179824 SKXMDOGVRBNZLK-MMKMLUHNSA-N 446.548 2.396 10 10 IECE CC[C@@H](NC(=O)c1ccc(OC(C)=O)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862065986 ARYQLJBESDFMGR-JOCHJYFZSA-N 439.512 2.478 10 10 IECE COc1ccc(N2CCN(S(=O)(=O)CCCNC(=O)c3ccc(F)cc3)CC2)cc1 11796492 XZIVOLGJBLPVLP-UHFFFAOYSA-N 435.521 2.106 10 10 IECE COc1ccc(O)c([C@H](C)NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)c1 729535047 IHTTXLHRDLJBFS-HNNXBMFYSA-N 434.514 2.221 10 10 IECE COc1ccc(N2CCN(C(=O)Nc3cccc(OCCS(C)(=O)=O)c3)CC2)cc1 750703572 AQLAIBGMICZEPJ-UHFFFAOYSA-N 433.530 2.473 10 10 IECE Cc1nccc(N2CCN(CC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)CC2)n1 759891880 PQEQRUIZVSLREE-UHFFFAOYSA-N 441.491 2.321 10 10 IECE Cc1cnc(N)c(S(=O)(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 766779623 SELAELIBUGAYRD-UHFFFAOYSA-N 430.452 2.306 10 10 IECE NS(=O)(=O)c1ccc(NCc2ccc(N3CCN(CC4CC4)CC3)cc2)c([N+](=O)[O-])c1 768528810 ZHPIGXYXWDGYLR-UHFFFAOYSA-N 445.545 2.386 10 10 IECE O=S(=O)(NCc1ccc(N2CCN(CC3CC3)CC2)cc1)c1ccc2nc(O)[nH]c2c1 768575162 IBLQUTBAMQEEOW-UHFFFAOYSA-N 441.557 2.279 10 10 IECE CC(C)c1nnc2n1CCN(C(=O)NCc1ccc(N3CCC[C@H](C(N)=O)C3)cc1)[C@@H]2C 784479247 SYJMRAGOADMKRQ-AEFFLSMTSA-N 439.564 2.390 10 10 IECE O=C(CN1CCC2(C1)Oc1ccccc1O2)NCc1ccc(N2CCOCC2)c(F)c1 808792885 RUCXKSOMQYVNLA-UHFFFAOYSA-N 427.476 2.152 10 10 IECE CO[C@H]1CN(C(=O)OC(C)(C)C)[C@](C)(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)C1 1132903320 ZDCDXXFTLGJIML-YKSBVNFPSA-N 446.592 2.469 10 10 IECE CN(Cc1ccccc1O)c1nnc(C(=O)N2CCCC2)n1Cc1nccn1C(F)F 1314751273 RFXYUCVNSGLUPN-UHFFFAOYSA-N 431.447 2.496 10 10 IECE O=C(NCc1ccc(N2CCN(CC3CC3)CC2)cc1)[C@@H]1COCCN1CC(F)(F)F 1446244015 SKDHFMOPNDUQIY-FQEVSTJZSA-N 440.510 2.098 10 10 IECE CCN(CC)c1ccc(Cn2c(N3CCO[C@H](C(=O)NC)C3)nnc2C(C)(C)C)cc1 1501847244 IDOCBVFOHHTPSM-IBGZPJMESA-N 428.581 2.421 10 10 IECE C[C@H](NS(C)(=O)=O)c1nnc(N(C)CCC(F)F)n1Cc1ccc(N(C)C)c(F)c1 1510168466 NBGMZUNRBUHHTM-LBPRGKRZSA-N 448.515 2.233 10 10 IECE O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cc2ncc(Br)cn2n1 1534309529 URPSTFCKYVUFSF-UHFFFAOYSA-N 434.269 2.398 10 10 IECE COc1ccc(N2CC[C@H](NC(=O)[C@H]3CC(=O)N(c4ccc(OC)cc4OC)C3)C2)cc1 1538745930 HQAXLDCPCGQLAQ-IRXDYDNUSA-N 439.512 2.460 10 10 IECE COc1ccc(N2CCN(C(=O)c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)cc1F 1545606672 XJLZZQNLTZIHEA-UHFFFAOYSA-N 437.449 2.108 10 10 IECE Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N[C@@H]2CCC[C@@H]2CNS(C)(=O)=O)cc1 1633669745 LUGOFFCJZBBBHD-WIYYLYMNSA-N 431.558 2.283 10 10 IECE COc1ccc(N2CCN(C[C@H](O)CN(CCCO)c3ccc(F)c(F)c3)CC2)cc1 1643332860 PBBJUXKZXBDCJE-FQEVSTJZSA-N 435.515 2.345 10 10 IECE CN(C)c1ccc(CNC(=O)CN[C@@H]2Cc3ccccc3N(C(=O)C(F)(F)F)C2)cc1 1654172009 RIXGVHWPSFGHAO-QGZVFWFLSA-N 434.462 2.479 10 10 IECE CC(C)NC(=O)[C@@H]1CCCN(CC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)C1 1655193929 KUCHEZOIGCIHAE-CMKODMSKSA-N 448.583 2.292 10 10 IECE CCc1nc(CCn2c(C(=O)Nc3ccccn3)nnc2N(C)Cc2ccccc2O)no1 1764614924 ATLHEVSCBNQKCZ-UHFFFAOYSA-N 448.487 2.456 10 10 IECE CN(CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccccc1O)CC(F)(F)F 1768910841 BTHHPMLCTIYZFD-UHFFFAOYSA-N 440.470 2.350 10 10 IECE COC[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(N(C)C)c(F)c2)C1 1769441464 ANOIFLZXPVIWSX-KRWDZBQOSA-N 430.528 2.240 10 10 IECE COc1ccc(N2CCN(C(=O)c3cccnc3C3=NC(=O)[C@](C)(C(C)C)N3)CC2)cc1 1873831400 JSIBIXVBYOARIF-DEOSSOPVSA-N 435.528 2.344 10 10 IECE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)C=Cc3cccc([N+](=O)[O-])c3)CC2)cc1 2328589561 DHEDOWWEVZVPCQ-QGZVFWFLSA-N 438.484 2.470 10 10 IECE COc1ccc(N2CCN(C(=O)Cn3ncc4c(N5CCC(C)CC5)ncnc43)CC2)cc1 65295582 ZVVUSXROIZHUJO-UHFFFAOYSA-N 449.559 2.420 10 10 IECE Cc1ccnc(C2CCN(CC(=O)NCc3ccc(N4CCOCC4)c(F)c3)CC2)n1 755218381 KTMZQJWRRXDDAI-UHFFFAOYSA-N 427.524 2.257 10 10 IECE CN1CCN(c2ccc(CN[C@H]3CCN(C(=O)COc4ccccc4)C3)cc2F)CC1 1116926312 NFNZWMYYYODSHF-FQEVSTJZSA-N 426.536 2.347 10 10 IECE C[C@H]1CN(CCNC(=O)CCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)CCO1 1136540224 GJZCWBDHODACTB-VMOJBDSFSA-N 437.562 2.254 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C\C(=O)NCc3cc(=O)c4ccccc4[nH]3)CC2)cc1 1152608314 DECGUIJABQOVLZ-KHPPLWFESA-N 446.507 2.058 10 10 IECE CCOCc1nnc(N2C[C@@H](N3CCOCC3)[C@H](C)C2)n1Cc1ccc(N(C)C)cc1C 1297095363 FBQGAYUKAYKFTJ-DENIHFKCSA-N 442.608 2.394 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NC[C@H](O)[C@@H](C)c3ccccc3)CC2)cc1 1301355675 WCNNTIHTOBSUAP-HXUWBTBFSA-N 437.540 2.181 10 10 IECE CN(C)c1ccc(CNC(=O)[C@@H](CCC(N)=O)NC(=O)OCc2ccccc2)cc1F 1306453296 VSFNJKBDKLYJSE-GOSISDBHSA-N 430.480 2.068 10 10 IECE COc1ccc(N2CC[C@@H](CNC(=O)N[C@@H](CC(C)C)C(=O)N3CCOCC3)C2)cc1 1312910533 CGWQRQGHGRTTTO-RXVVDRJESA-N 432.565 2.094 10 10 IECE CCN(CC)c1ccc(CNC(=O)c2ccc(S(=O)(=O)N[C@H](C)CO)cc2)cc1F 1443757708 ONUFQGBWSPMGDQ-OAHLLOKOSA-N 437.537 2.261 10 10 IECE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)C(C)(C)C3CCCC3)CC2)cc1 1461400595 YQBZGCVJRCOHBQ-UHFFFAOYSA-N 437.606 2.480 10 10 IECE COc1ccc(N(Cc2ccccc2)Cc2nc3c(=O)n(C)c(=O)n(C)c3[nH]2)cc1OC 1473903759 BAYHUPMOBHDBFD-UHFFFAOYSA-N 435.484 2.184 10 10 IECE O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)NC[C@@H](CO)CC1CCOCC1 1478785964 CKGXHONTHWUPRD-KRWDZBQOSA-N 427.492 2.026 10 10 IECE CC[C@@H](C)c1nnc(N2CCN(C(=O)NC)CC2)n1Cc1ccc(N2CCOCC2)cc1 1495690203 MVGPZFMLGGFPDK-GOSISDBHSA-N 441.580 2.138 10 10 IECE CCn1cc(CN(C)c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(N(C)C)c(F)c2)cn1 1502223388 WIXNMLQMBCCFFZ-SFHVURJKSA-N 440.527 2.335 10 10 IECE Nc1ncc2c(n1)CCN(C(=O)CCN1C(=O)/C(=C\c3ccc(F)cc3)SC1=S)C2 1556252676 HKCFWTOGKNNDMP-CXUHLZMHSA-N 443.529 2.374 10 10 IECE Cn1nnc2c1CC[C@H](NC(=O)CCN1C(=O)/C(=C\c3ccc(F)cc3)SC1=S)C2 1584904434 OJZKKAVMUMLWBL-FBJMNJBLSA-N 445.545 2.219 10 10 IECE Cc1cccc(-c2nnc(N(C)Cc3ccccc3O)n2CCS(=O)(=O)NC(C)C)n1 1612187909 ZWNSCAQWSWEBEV-UHFFFAOYSA-N 444.561 2.318 10 10 IECE CC[C@H]1C(=O)NCCN1c1nnc(CC(C)(C)C)n1Cc1ccc(N2CCOCC2)cc1 1614075284 IAVARRUIYFHSNC-FQEVSTJZSA-N 440.592 2.466 10 10 IECE CCN(Cc1cc(Br)ccc1O)C(=O)c1cc(S(N)(=O)=O)ccc1O 1622328238 QZGHRMCQIBURPR-UHFFFAOYSA-N 429.292 2.170 10 10 IECE Cc1cc(C(=O)NC[C@@]2(O)CCS(=O)(=O)C2)c(C)n1-c1ccc(Br)cc1 1635645348 CCSJWNNQVIKFOI-SFHVURJKSA-N 441.347 2.136 10 10 IECE CC[C@@H](C)N[C@@H](CNC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccco1 1681048435 ZHMDGDFCYWCFCX-XLIONFOSSA-N 448.589 2.443 10 10 IECE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N1CCN(C2CCCCC2)CC1 1682583121 UWVSOOIYBRZBNW-UHFFFAOYSA-N 434.606 2.081 10 10 IECE CCN(CC)c1ccc(Cn2c(C)nnc2N2CCN(CC(=O)N3CCCC3)CC2)cc1 1710025074 NXHXPQKOYWEEOH-UHFFFAOYSA-N 439.608 2.225 10 10 IECE CCN(CC)c1ccc(Cn2c(Cc3ccncc3)nnc2N2CCNC(=O)CC2)cc1 1710027205 ARFICEVUUSSEIK-UHFFFAOYSA-N 433.560 2.485 10 10 IECE CN(Cc1ccccc1O)c1nnc([C@H]2CCC(=O)N2)n1CCC(=O)N1CCCCCC1 1747750027 ICXTUUBSHDKNJH-GOSISDBHSA-N 440.548 2.364 10 10 IECE Cc1cc(C)n(Cc2nnc(N3CC[C@@H](C(N)=O)C3)n2CCCSc2nccs2)n1 1762435567 AIJSUIFYDJVVJZ-OAHLLOKOSA-N 446.606 2.090 10 10 IECE COC(=O)C[C@@H]1CN(c2nnc(CC(C)C)n2Cc2ccc3c(c2)CCCN3C)C[C@H]1O 1769456284 FBDCBAVOTOLOGY-TZIWHRDSSA-N 441.576 2.268 10 10 IECE CCOc1ccccc1[C@@H]1CC(=O)NC(NC(=O)c2cc(OC)c(OC)c(OC)c2)=N1 20924919 QWRMQNHQNZGTSU-HNNXBMFYSA-N 427.457 2.458 10 10 IECE COc1ccc(N2CCN(C(=O)CN3CCN(c4ccc5c(c4)OCO5)C3=O)CC2)cc1 49388300 BFRUFCUIJJDAHV-UHFFFAOYSA-N 438.484 2.015 10 10 IECE CN(C)c1ccc(CNC(=O)CN2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)cc1 782055292 QJCYRZTWFXERNS-NRFANRHFSA-N 430.574 2.275 10 10 IECE COCCN1C[C@H](C(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)CC1=O 914662990 VJEWQLWGGSTUMA-MRXNPFEDSA-N 442.468 2.044 10 10 IECE O=C1NC(=O)N(Cc2ccccc2)C(=O)/C1=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1 1084304119 IALRYMREAICMPN-QGOAFFKASA-N 436.424 2.093 10 10 IECE COc1ccc(N2CCN(CCNC(=O)c3cnn(-c4ccccc4)c3OC)CC2)cc1 1116633597 AKFZDZNATBYATL-UHFFFAOYSA-N 435.528 2.442 10 10 IECE NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)CCn3sc4ccccc4c3=O)cc2)C1 1136340315 LTRNMWZVGWXBGI-QGZVFWFLSA-N 438.553 2.471 10 10 IECE COCCn1cc(N2C[C@@H](C(=O)N(C)Cc3ccc(N4CCCC4)cc3)CC2=O)cn1 1353911985 VLQLKONGAUTWQR-IBGZPJMESA-N 425.533 2.141 10 10 IECE Cc1cc(N2CC[C@@H](NC(=O)Cc3ccc(-n4c(C)cc(C=O)c4C)cc3)C2=O)n(C)n1 1445063342 UJAQRXAQLOTIEJ-OAQYLSRUSA-N 433.512 2.413 10 10 IECE CCOC(=O)CN(Cc1ccccc1O)C(=O)CCN1CCN(C(=O)OC(C)(C)C)CC1 1451922541 UYRSFGPIFZQOBG-UHFFFAOYSA-N 449.548 2.227 10 10 IECE COc1cccc(-n2cc(C(=O)NCc3cc(F)c(N4CCOCC4)c(F)c3)nn2)c1 1460741085 LKLANZOMBXGRHK-UHFFFAOYSA-N 429.427 2.321 10 10 IECE NC(=O)C1CCN(c2ccc(CNC(=O)NCc3ccc(Cn4cncn4)cc3)cc2)CC1 1470363308 CDCKIBZAQYKJSB-UHFFFAOYSA-N 447.543 2.028 10 10 IECE NC(=O)C1CCN(c2ccc(CNC(=O)N3CCO[C@H](C(F)(F)F)CC3)cc2)CC1 1479343071 BGBDGFQWUTYPQX-KRWDZBQOSA-N 428.455 2.251 10 10 IECE Cc1c(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)nnn1-c1cnn(C)c1 1531501382 AIYJTGMXZWJQJA-AWEZNQCLSA-N 431.447 2.309 10 10 IECE CCN(CC)c1ccc(Cn2c([C@H]3CCOC3)nnc2N2CC[C@](C)(C(N)=O)C2)cc1 1547447510 YJEXOHMFLNOAPJ-MBSDFSHPSA-N 426.565 2.378 10 10 IECE CCOC(=O)c1cnn2c(O)cc(CN[C@@H](Cc3ccccc3)[C@H](O)C(F)(F)F)nc12 1560100618 QKUGXGGLGDSAHZ-RDJZCZTQSA-N 438.406 2.236 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C\C(=O)Nc3cccc4c3CN(C)C4=O)CC2)cc1 1570297611 MBMSIXIVMCHIAE-KHPPLWFESA-N 434.496 2.124 10 10 IECE O=C(CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)NCC1(CO)CCOCC1 1596955010 VCBHDDFXOVMNGS-LFIBNONCSA-N 438.546 2.322 10 10 IECE CN(C)c1ccc(CNC(=O)Cn2nnc(Cc3cccc(Br)c3)n2)cc1 1613652551 JPIKPTQESWBZMK-UHFFFAOYSA-N 429.322 2.409 10 10 IECE C[C@H](O)[C@@H]1CN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CCO1 1629765735 NKBHAWKMAXBZRR-QNGDKKGPSA-N 426.585 2.338 10 10 IECE CC(C)(C)OC(=O)N1CCC(O)(CC(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC1 1646436063 WRKBBPKSDBVEGH-UHFFFAOYSA-N 447.576 2.416 10 10 IECE CC[C@H]1C(=O)NCCN1c1nnc(Cc2cccnc2)n1Cc1ccc(N(C)C)c(F)c1 1694793265 VKRJZEFZSDVYIH-IBGZPJMESA-N 437.523 2.232 10 10 IECE C[C@H](Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1)N(C)C 1751134203 YLHWJSQGEMXNMN-GOSISDBHSA-N 438.580 2.102 10 10 IECE Cc1cc(C)n(-c2ccc3nnc(CCCC(=O)NCCc4ccc(O)c(O)c4)n3n2)n1 1860387666 HIQYYUHMWWLYDS-UHFFFAOYSA-N 435.488 2.020 10 10 IECE CN(C)c1ccc([C@H](NC(=O)C2CCN(C(=O)C(F)(F)F)CC2)c2nccn2C)cc1 1865977181 SLJOAMHEULMGFL-KRWDZBQOSA-N 437.466 2.493 10 10 IECE O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)[C@H]1CCCc2n[nH]cc21 758158278 RRFFQOJFFXMXLB-KRWDZBQOSA-N 435.507 2.402 10 10 IECE O=C1CN(C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)[C@@H]2CCCC[C@@H]2N1 769058942 ZHFDCHIRQOJQSX-FCHUYYIVSA-N 425.577 2.171 10 10 IECE COC(=O)/C=C\c1ccc(S(=O)(=O)Nc2cccc(N3CCN(C(C)=O)CC3)c2)cc1 780407167 HBBUJEFDLCWQCV-FLIBITNWSA-N 443.525 2.342 10 10 IECE CC(C)(C)OC(=O)N[C@H](CO)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 1137438607 OXDRBJBSQABYTE-JKSUJKDBSA-N 427.929 2.012 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N[C@H](CO)c3sccc3C)CC2)cc1 1152136982 UUAAKHKGHYDRQE-IHHMQQGQSA-N 429.542 2.120 10 10 IECE CCN(CC)CCO[C@@H]1CCN(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)C1 1312833093 FBKUTGXRCOUBRX-GOSISDBHSA-N 440.535 2.444 10 10 IECE COc1ccc(N2CCN(C(=O)c3cccn(CC(F)(F)F)c3=O)CC2)c(OC)c1 1461981793 VETASOCWJZBHRE-UHFFFAOYSA-N 425.407 2.390 10 10 IECE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 1542180153 AXERXPZZWMDXMO-AOIWGVFYSA-N 430.549 2.165 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CCN(CCC(C)(C)C)CC3)CC2)cc1 1543421561 NDYGDJRDWSXCRJ-MDZDMXLPSA-N 442.604 2.480 10 10 IECE NS(=O)(=O)c1ccsc1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 1566357139 XKGBVYIKBOEHNJ-ZDUSSCGKSA-N 429.951 2.149 10 10 IECE COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CC(=O)N(c4ccc(NC(C)=O)cc4)C3)C2)cc1 1585987415 CBXWURSGHJFVLC-MJGOQNOKSA-N 436.512 2.402 10 10 IECE CC(C)[C@@H]1C(=O)NCCN1C(=O)CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S 1611539128 GLPZAUWXXFSFEW-JBXOJTMHSA-N 435.546 2.400 10 10 IECE O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)N[C@@H]1CC[C@@H](O)[C@@H](O)C1 1645569171 XVDRHOUISWYBLB-BUYWVOCWSA-N 426.585 2.120 10 10 IECE O=C(NCc1ccc(N2CCC(O)CC2)cc1)[C@H]1CCCN1S(=O)(=O)c1ccccc1 1646434588 GBBZQTDGIANQLG-JOCHJYFZSA-N 443.569 2.117 10 10 IECE COc1ccc(N2CCN(C[C@H](O)CN3CCC[C@@]3(C)C(=O)OC(C)(C)C)CC2)cc1 1655170274 PMKVPSXSESOIRG-RDPSFJRHSA-N 433.593 2.374 10 10 IECE COC(=O)[C@@H]1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(N3CCOCC3)cc2)C1 1697041522 BDBHRCSVEIMWQQ-GOSISDBHSA-N 427.549 2.460 10 10 IECE CCO[C@]1(c2nnc(N3CCOC[C@H]3C)n2Cc2ccc(N(C)C)c(F)c2)CCOC1 1710486896 QXWHAGMIINDUKL-OPAMFIHVSA-N 433.528 2.409 10 10 IECE CCN1CCN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(CC)C2=O)CC1 2053510716 OWCDPZOGJPBQTA-UHFFFAOYSA-N 429.571 2.058 10 10 IECE O=C1C(=Cc2c(SCCO)nc3ccccn3c2=O)SC(=S)N1C[C@H]1CCCO1 2296706689 JOCCJEDQVNJFEO-GFCCVEGCSA-N 449.579 2.159 10 10 IECE O=C(O)CNC(=O)CCN1C(=O)C(=Cc2ccc(Br)cc2)SC1=S 2314829126 ZAIPFJXYUIQTTI-UHFFFAOYSA-N 429.317 2.241 10 10 IECE CCOc1cc(/C=C2\SC(=S)N(CCCC(=O)N[C@H](C)C(=O)O)C2=O)ccc1O 15040681 NGUGGPBKRNAJDK-MKVLZVNKSA-N 438.527 2.362 10 10 IECE C[C@@H](NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1nnc2n1CCCCC2 729226185 ZBTCTMWBGGGHKX-AEFFLSMTSA-N 439.564 2.267 10 10 IECE CN(C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)[C@H]1CCN(c2ccccc2)C1=O 745690859 FRANCFBPLCEAER-KNQAVFIVSA-N 449.555 2.335 10 10 IECE O=C(NCc1ccc(N2CCN(CC3CC3)CC2)cc1)c1cn(Cc2ccccn2)nn1 768532819 HYCXPEHMLGIXKG-UHFFFAOYSA-N 431.544 2.183 10 10 IECE C[C@@H](Sc1nnnn1C1CC1)C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 769122541 PXBHGSKYRCNKCX-MRXNPFEDSA-N 441.605 2.337 10 10 IECE COc1ccc(N2CCN(CCCNC(=O)N3CC(C)(C)O[C@]4(CCOC4)C3)CC2)cc1 792791588 JCKWMKPXZGJQTR-XMMPIXPASA-N 446.592 2.187 10 10 IECE CCN(CC)c1ccc(C=c2sc(=CC(=O)C3CC3)n(Cc3cnc(C)nc3)c2=O)cc1 794737063 FOERKSJPADFZHY-UHFFFAOYSA-N 448.592 2.491 10 10 IECE COCCn1nnc2c1CCN(CC(=O)c1cc(C)n(-c3ccc4c(c3)OCO4)c1C)C2 815129581 SSBDBFXPYQEOET-UHFFFAOYSA-N 437.500 2.302 10 10 IECE C[C@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)c1ccc(S(N)(=O)=O)cc1 915895514 OGPCHHAXKIKCKT-HNNXBMFYSA-N 434.587 2.448 10 10 IECE NC(=O)C1CCN(c2ccc(CNC(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)cc2)CC1 1133626267 DBQUWOPFGAOCJA-UHFFFAOYSA-N 448.483 2.412 10 10 IECE CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NCc3c(O)cccc3O)CC2)cc1 1178905739 SPWIFMKPLOSCKS-UHFFFAOYSA-N 432.498 2.018 10 10 IECE COc1ccc(N2CCN(CCNC(=O)C[C@H](n3ccnc3)C(F)(F)F)CC2)cc1 1292281743 IWIMJMZLSZPLPH-SFHVURJKSA-N 425.455 2.324 10 10 IECE COc1ccc(N2CCN(C(=O)NC[C@@H]3CS(=O)(=O)c4ccccc43)CC2)cc1F 1312748162 HBPVITWJAWWTHG-OAHLLOKOSA-N 433.505 2.237 10 10 IECE CCn1ncc(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1Br 1358167817 IBWMPDZUTOXKAD-AWEZNQCLSA-N 434.338 2.297 10 10 IECE COC(=O)[C@@]1(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)CC[C@H](C)c2ccccc21 1457217270 FZMHFVSSQYJNLO-YEJXKQKISA-N 432.498 2.459 10 10 IECE Cc1ccccc1OCCN(C)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1470751353 ABQWADYHJRKSNA-UHFFFAOYSA-N 431.558 2.450 10 10 IECE CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1500877782 WOOVRUXKSUMXEN-INIZCTEOSA-N 436.582 2.024 10 10 IECE O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(-n2[nH]c(O)nc2=O)cc1 1545043313 XWIPGQPXSDZAJI-CQSZACIVSA-N 445.426 2.266 10 10 IECE CNC(=O)[C@@H](C)CN(C)c1nnc(C(C)C)n1Cc1ccc(N2CCC(CO)CC2)cc1 1618531905 YLRQLOQZOUIJFH-SFHVURJKSA-N 442.608 2.477 10 10 IECE O=C(Cn1c(S)nc2ccccc2c1=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 1626056166 ZWVGGPDLFVLWGQ-UHFFFAOYSA-N 446.479 2.116 10 10 IECE CC(C)C[C@H](NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)C(=O)N1CCOCC1 1636411302 UTTXPUWGIKZKHH-PMACEKPBSA-N 433.549 2.356 10 10 IECE CS(=O)(=O)N1CCCc2cc(C(=O)NCc3ccc(N4CCC(O)CC4)cc3)ccc21 1641200791 NSAZXKCIWBEVNR-UHFFFAOYSA-N 443.569 2.290 10 10 IECE COC(=O)c1cc(OCC(=O)NC(=O)Nc2ccc3c(c2)OCCCO3)ccc1N(C)C 1644178953 IKJRBUGPLYQVBJ-UHFFFAOYSA-N 443.456 2.428 10 10 IECE O=C1CN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CCN1Cc1cccc(F)c1 1684279875 CZSGZSZJLXBIQB-UHFFFAOYSA-N 440.519 2.341 10 10 IECE C[C@H]1C(=O)N(C)CCN1c1nnc(CC(C)(C)C)n1Cc1ccc(N2CCOCC2)cc1 1693560031 RQIBDLDARHBJCA-SFHVURJKSA-N 440.592 2.419 10 10 IECE CN(Cc1ccccc1O)c1nnc(CC2CCCC2)n1CCN1CCCS1(=O)=O 1696700649 KUHSIFRMRABPCU-UHFFFAOYSA-N 433.578 2.388 10 10 IECE 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2.392 10 10 IECE COc1ccc(N(C)CCN(C)C(=O)NCCN2Cc3ccccc3OCC2=O)cc1 1675982879 WZRCUSSWKOMCAH-UHFFFAOYSA-N 426.517 2.194 10 10 IECE CC(=O)N1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(N(C)C)c(F)c2)CC1 1690847459 IPSKIWHWWCYPDZ-GOSISDBHSA-N 430.528 2.094 10 10 IECE Cc1nnc(N(C)Cc2ccc(N3CCOCC3)cc2)n1CCCCCS(C)(=O)=O 1693461572 ULSCDKNNVQDUKN-UHFFFAOYSA-N 435.594 2.274 10 10 IECE CC(C)NC(=O)c1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CC[C@]2(CCOC2)O1 1741642195 VFUUQJFERDDCNC-VGOFRKELSA-N 429.521 2.096 10 10 IECE Cc1cc(N(C)C)ccc1Cn1c(C2CC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1751432529 IUWHDPXGRSYDFQ-INIZCTEOSA-N 432.594 2.048 10 10 IECE CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1765790258 REVFNCZFUCOKHR-IBGZPJMESA-N 447.605 2.453 10 10 IECE COc1ccc(N2CCN(c3nnc(-c4ccc[nH]4)n3CCOCCCO)CC2)cc1F 1768704399 CLBGBUSFNAZBCI-UHFFFAOYSA-N 444.511 2.147 10 10 IECE COc1ccc(N2CCOCC2)cc1NC(=O)c1ccc(C)c(S(=O)(=O)N(C)C)c1 1858033365 OGORSULLBYXQBG-UHFFFAOYSA-N 433.530 2.343 10 10 IECE CCCn1cccc(C(=O)N[C@H](CC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)c1=O 1862020203 WFYBWBPLLUVDRE-OAQYLSRUSA-N 440.544 2.124 10 10 IECE COc1cc(OC)c(N2C(=O)NC(=O)C(=Cc3ccc(N(C)C)cc3)C2=O)c(OC)c1 2313610972 PHXXXLJHXCJDQO-UHFFFAOYSA-N 425.441 2.445 10 10 IECE COC(=O)c1ccc(/C=C2/SC(=S)N(CCC(=O)N3CCC[C@@H]3C(=O)O)C2=O)cc1 103037048 YXTKCVVGZNQLPQ-XDPMZMSMSA-N 448.522 2.140 10 10 IECE C[C@@H]1CN(c2ccc(CNC(=O)N3CCN(Cc4nccn4C)CC3)cc2F)C[C@@H](C)O1 730064591 IYVSREFEQSYLMN-QZTJIDSGSA-N 444.555 2.200 10 10 IECE C[C@@H](OC(=O)[C@@H](O)C1CCOCC1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 735946237 WZGHRUSJJFAASP-XCLFUZPHSA-N 437.448 2.120 10 10 IECE COc1cccc(-c2nc(C(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)no2)c1 760414596 LKPGPLHPELQRSR-QGZVFWFLSA-N 435.484 2.377 10 10 IECE C[C@@H](NC(=O)NCc1cnc(N2CCOCC2)c(F)c1)c1ccc(N2CCOCC2)cc1 765879596 KEESDTPIWMRPMN-QGZVFWFLSA-N 443.523 2.454 10 10 IECE O=C(CCc1cc2ccccc2nc1O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 767299024 FVUPOCPOUJBCEL-UHFFFAOYSA-N 439.537 2.424 10 10 IECE COc1ccc(N2CCN(CCNC(=O)[C@H]3[C@H](C(F)(F)F)[C@H]4CC[C@H]3O4)CC2)cc1 785554142 CWGXPHQEAIQBLX-NCXUSEDFSA-N 427.467 2.289 10 10 IECE COc1ccc(N2CCN(CCNC(=O)Cc3c(F)cc([N+](=O)[O-])cc3F)CC2)cc1 813426614 KUFRCFMQHCBYPO-UHFFFAOYSA-N 434.443 2.363 10 10 IECE CCOc1ccc(N2CCN(C(=O)Cc3csc(S[C@@H](C)C(N)=O)n3)CC2)cc1 1151503115 LGDVKGDLBOYKJU-AWEZNQCLSA-N 434.587 2.399 10 10 IECE CC(C)NC(=O)c1nnc(N(C)Cc2ccccc2O)n1Cc1nnc2n1CCCCC2 1303333932 FVNJNZNYIHBQTJ-UHFFFAOYSA-N 438.536 2.125 10 10 IECE Cc1cc(C(=O)NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1NC(=O)C1=S=CC=C1 1319528901 LEZQJTOAFSHASR-UHFFFAOYSA-N 445.478 2.238 10 10 IECE CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 1438888531 WCLZOGOTXXUPCX-DEOSSOPVSA-N 433.556 2.283 10 10 IECE C[C@@H](C(=O)NCCCSc1nccs1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1443486390 BZVLHFVAMAHUHY-ZDUSSCGKSA-N 428.580 2.209 10 10 IECE Cc1cc(C(=O)NC2(CS(C)(=O)=O)COC2)c(C)n1-c1ccccc1Br 1452490220 RRRIMJNFBHUCIY-UHFFFAOYSA-N 441.347 2.400 10 10 IECE COc1ccc(N2CCN(C(=O)N[C@H]3CCO[C@H](c4ccnn4C)C3)CC2)c(OC)c1 1564766832 LEQRPGBHPNOFGN-KKSFZXQISA-N 429.521 2.189 10 10 IECE CN(Cc1ccccc1O)c1nnc([C@H]2CCCO2)n1CCN1CCN(C)C(C)(C)C1 1617941689 VFTOGBVWLXBUSC-HXUWFJFHSA-N 428.581 2.498 10 10 IECE CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CC2CCN(S(C)(=O)=O)CC2)cc1 1627205801 XRQGGANXEXKQSE-OAQYLSRUSA-N 437.606 2.322 10 10 IECE CC(C)(C)OC(=O)NCCN(CC(=O)NCc1ccc(O)c(O)c1)C(=O)OC(C)(C)C 1630273833 UTBBLFVYTQWFNF-UHFFFAOYSA-N 439.509 2.476 10 10 IECE COc1ccc(N2CCN(C[C@H](O)CN3CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C3)CC2)cc1 1643864248 LHCVAFDQEBNYRN-RRPUWOKSSA-N 447.620 2.478 10 10 IECE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N1CCOc2cccc(F)c2C1 1683731093 LWEFFYZYWYFUMS-UHFFFAOYSA-N 433.505 2.165 10 10 IECE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CC12CCOCC2 1741908354 LWWULUJHPZFIOL-DOTOQJQBSA-N 449.577 2.047 10 10 IECE CC(C)CN1CCO[C@H](Cn2c(-c3cnn(C)c3)nnc2N(C)Cc2ccccc2O)C1 1750846918 AWHOUXYRJAKUEF-FQEVSTJZSA-N 439.564 2.377 10 10 IECE CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1766687360 PWXDBVPVZWFPMX-UHFFFAOYSA-N 433.578 2.316 10 10 IECE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3n[nH]c4c3CCCC4)C(C)C)CC2)cc1 1868765222 FSBXAPKLBDKPCI-OAQYLSRUSA-N 439.560 2.400 10 10 IECE COc1ccc(N2CCN(c3nc(=NC[C@H](C)O)nc(Nc4ccc(C)cc4)[nH]3)CC2)cc1 1871476161 DQTBPSNRDCJCFT-SFHVURJKSA-N 449.559 2.473 10 10 IECE COCCCN1C(=O)C(=Cc2c(NCCOC)nc3c(C)cccn3c2=O)SC1=S 2040498199 FFWUTGNCUMDHOO-UHFFFAOYSA-N 448.570 2.299 10 10 IECE COC(=O)c1ccc(/C=C2/SC(=S)N(CC(=O)N3CCCC[C@H]3CCO)C2=O)cc1 33558433 MOYOIJKZXQENOR-WLSWZUKCSA-N 448.566 2.438 10 10 IECE Nc1ccc(N(CC(=O)Nc2cccc(Cl)c2Cl)[C@H]2CS(=O)(=O)C[C@@H]2O)cc1 583928185 XXKJQJABMOZIME-HOTGVXAUSA-N 444.340 2.179 10 10 IECE COC(=O)/C=C/c1ccc(N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)c([N+](=O)[O-])c1 728909013 IPKLNZAIMXPTLD-XAVKZTDYSA-N 430.505 2.350 10 10 IECE COc1ccc(N2CCN(CCNC(=O)N3CC[C@H]4CC[C@@H](C3)N4C(C)C)CC2)cc1 745783822 DVYUGPIZECLPBP-YADHBBJMSA-N 429.609 2.474 10 10 IECE Cc1ccc(NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1S(C)(=O)=O 759993268 YIYAIYMKFYNYPM-QGZVFWFLSA-N 444.557 2.422 10 10 IECE COC(=O)Cn1cc([C@@H](C)OC(=O)Cn2c3c(c4ccccc42)CN(C(C)C)CC3)nn1 766893560 IRVYSAFOIJIMMN-MRXNPFEDSA-N 439.516 2.477 10 10 IECE O=C(NC[C@@H](CO)c1cccnc1)c1cc(NS(=O)(=O)c2cccs2)ccc1O 807848398 AUOZFDBYGCMPSM-AWEZNQCLSA-N 433.511 2.155 10 10 IECE CS(=O)(=O)CC[C@@H]1CCCCN1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 813590115 IEBDYZUEDWYDHG-KRWDZBQOSA-N 427.542 2.161 10 10 IECE COc1cccc(CNC(=O)c2cnn3cc(CCNC(=O)OC(C)(C)C)cnc23)c1O 1137473617 PKGNMNCUGHQIDO-UHFFFAOYSA-N 441.488 2.441 10 10 IECE CSCC[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NCc1cccc(O)c1O 1303192873 CBHNOJWWSRPWHL-HVJHFUJKSA-N 436.555 2.426 10 10 IECE CN(Cc1ccccc1O)c1nnc([C@@H]2CCCOC2)n1CC(=O)NCC(F)(F)F 1554175767 WGZBKZDODDIRQR-CQSZACIVSA-N 427.427 2.193 10 10 IECE COc1ccc(N2CC[C@@H](CNC(=O)N3CCC([C@H](O)c4ccnn4C)CC3)C2)cc1 1564963311 WNPARNGVBFOBPH-JTSKRJEESA-N 427.549 2.410 10 10 IECE COc1ccc(N2CCN(C(=O)[C@]34COC[C@H]3CN(C(=O)OC(C)(C)C)C4)CC2)cc1F 1595483519 WEUCNHOYVWPJGT-WAIKUNEKSA-N 449.523 2.366 10 10 IECE CCOc1ccc(N2CCN(C(=O)Cc3sc(CS(C)(=O)=O)nc3C)CC2)cc1 1596733645 WYFKOALRGSFRAA-UHFFFAOYSA-N 437.587 2.286 10 10 IECE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NCc2c(O)cccc2O)cc1 1597570000 ZVDXETMAGNLVKJ-SFHVURJKSA-N 432.498 2.160 10 10 IECE CN(CC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)c1cc(NS(C)(=O)=O)ccc1O 1607718568 YXCAEBNVXUDANX-UHFFFAOYSA-N 441.550 2.483 10 10 IECE COC(=O)[C@]1(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)C[C@@H]1c1ccccc1 1616600827 VLIMRVMUGGSBIA-PXDATVDWSA-N 435.524 2.351 10 10 IECE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O 1636058708 OBPDKTWINNYWCI-UHFFFAOYSA-N 425.503 2.298 10 10 IECE CC[C@@H]1CN(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)[C@H](CC)CN1C(C)=O 1676125891 MLDKVWYKHBJNHA-NHCUHLMSSA-N 443.592 2.319 10 10 IECE CC[C@H](C)c1nnc(N(C)C[C@H](C)C(=O)NC)n1Cc1ccc(N2CCOCC2)cc1 1708392014 XXMUHLJJUIKZMQ-ROUUACIJSA-N 428.581 2.495 10 10 IECE Cc1nnc(N(C)Cc2ccc(N3CCOCC3)cc2)n1C[C@H]1CN(CC(C)C)CCO1 1751880592 VQKJACMCAOXUMM-HSZRJFAPSA-N 442.608 2.416 10 10 IECE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)c3cc(-c4cccnc4)on3)CC2)cc1 1868982158 YEIJBGZRYMSORC-MRXNPFEDSA-N 435.484 2.212 10 10 IECE CCOC(=O)COc1ccc(/C=C2\SC(=S)N(N3CCOCC3)C2=O)cc1OC 35519927 VHNMXNAPAYNIKV-WJDWOHSUSA-N 438.527 2.086 10 10 IECE CC(=O)N1C(=O)/C(=C2\SC(=S)N(NC(=O)c3ccccc3O)C2=O)c2ccccc21 35569203 TXTGATMKFRSNPN-NXVVXOECSA-N 439.474 2.202 10 10 IECE COc1ccc(N2CCN(C(=O)[C@H]3CCCN(c4nc(NC(C)=O)ns4)C3)CC2)cc1 65307695 HDAITBITSWMNGQ-INIZCTEOSA-N 444.561 2.070 10 10 IECE Cc1cccc2c(O)c(/C=C3/C(=O)NN=C3c3c(O)c4ccccc4n(C)c3=O)c(=O)[nH]c12 100260885 XRLJCKDCCXZNJQ-GXDHUFHOSA-N 442.431 2.017 10 10 IECE COc1ccc(N2CCCN(C(=O)CN3C(=O)NC4(CCC(C)CC4)C3=O)CC2)cc1 108427049 DMMHXLXTSRPNJG-UHFFFAOYSA-N 428.533 2.235 10 10 IECE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cnc(-c2ccncc2)s1 741673965 NRONPAVOTMYHCD-UHFFFAOYSA-N 428.539 2.370 10 10 IECE COc1ccc(N2CCN(CCNC(=O)CN3C(=O)CSc4ccccc43)CC2)cc1 742926782 APXCCPIZYMRVJI-UHFFFAOYSA-N 440.569 2.072 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N(C)CCc3ncc(C)s3)CC2)cc1 778395093 NNZCPLKURDAJEX-CMDGGOBGSA-N 428.558 2.366 10 10 IECE Cc1cc(C(=O)NCC2(C(N)=O)CCOCC2)c(C)n1-c1ccc(Br)cn1 1141560877 NIEHDMNYHBLVJH-UHFFFAOYSA-N 435.322 2.264 10 10 IECE CN(C)S(=O)(=O)c1cc(C(=O)NCc2ccc(O)cc2O)ccc1Br 1162271463 GHEWJRSICXDSRC-UHFFFAOYSA-N 429.292 2.041 10 10 IECE COC(=O)[C@@]1(C)C[C@@H](OC)CN1CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1196830550 JNSKBZJADQQDKJ-OYLFLEFRSA-N 436.464 2.053 10 10 IECE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccccc2O)n1C[C@H]1OCCC1(C)C 1303810869 MLEFJKWWFZFZJG-WMLDXEAASA-N 437.566 2.045 10 10 IECE COc1ccc(N2CCN(CCCNC(=O)C3CCC(C(=O)N(C)C)CC3)CC2)cc1 1350976859 RTBBCUDSBKJJOZ-UHFFFAOYSA-N 430.593 2.218 10 10 IECE NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C[C@@H]3CCC4(CCOCC4)CO3)cc2)C1 1356434258 SKVWQSZNBNRUJR-CTNGQTDRSA-N 429.561 2.370 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CCC[C@H](c4ncccn4)C3)CC2)cc1 1455870530 XJQOIWKFOSJMCD-YXBWYFRISA-N 435.528 2.096 10 10 IECE COc1ccc(N2CCN(C(=O)[C@@H]3CCO[C@H]3CNC(=O)OC(C)(C)C)CC2)c(OC)c1 1534283059 MVLZYDWUOQRRMG-XLIONFOSSA-N 449.548 2.282 10 10 IECE CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 1545632970 ZZWRLXWQIJGPQC-QFBILLFUSA-N 443.997 2.233 10 10 IECE C[C@]1(C(F)(F)F)CN(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)CCO1 1565364048 FTAOXHDDYXDCIZ-LJQANCHMSA-N 428.455 2.251 10 10 IECE Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NC2CCN([C@@H]3CCN(C)C3=O)CC2)cc1 1568775115 ZQRCCEWNYLMWNQ-HSZRJFAPSA-N 436.556 2.260 10 10 IECE O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H](O)[C@@H](O)c1nc2ccccc2[nH]1 1587151610 WDWIRYVIMZLEEJ-ZNOIYHFQSA-N 446.454 2.344 10 10 IECE Cn1ncc(CNC(=O)OC(C)(C)C)c1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 1596694426 FUHRGLFEEBCSKU-UHFFFAOYSA-N 447.511 2.351 10 10 IECE CN(C)c1ccc([C@H](CNC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@@H]32)N(C)C)cc1 1603554281 DCCQKUQXBUBJPE-JKBKZWBZSA-N 433.622 2.197 10 10 IECE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cnn(C)c2)n1Cc1ccc(N(CC)CC)cc1 1614073316 AHILPHSTIVFTJX-HXUWFJFHSA-N 436.564 2.288 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CC(C)(C)[C@H]3c3nccn3C)CC2)cc1 1628017010 ATWCLKWBDVWDQJ-MZMPXXGTSA-N 437.544 2.243 10 10 IECE C[C@](CO)(Cc1ccccc1F)NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 1648466530 KBFKRCUXSCHGDE-HSZRJFAPSA-N 433.499 2.001 10 10 IECE CC(=O)N1CCCc2ccc(S(=O)(=O)NCc3ccc(N4CCN(C)CC4)cc3)cc21 1656662187 JPPMZNIIJFTPSF-UHFFFAOYSA-N 442.585 2.216 10 10 IECE Cc1ccc(C[C@H](CO)NC(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)cc1C 1685330874 GVEAWPBYUAZXHM-JOCHJYFZSA-N 438.572 2.408 10 10 IECE CNC(=O)N1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(N(C)C)cc2C)CC1 1729734370 RGWZCXPCPMVHSG-IBGZPJMESA-N 441.580 2.056 10 10 IECE CC[C@H](C)c1nnc(N2CC[C@@H](S(C)(=O)=O)C2)n1Cc1ccc(N2CCOCC2)cc1 1743674385 SLTGBIQVLLWYIT-FXAWDEMLSA-N 447.605 2.300 10 10 IECE CCN(CC)c1ccc(Cn2c([C@H]3CCOC3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)cc1 1764939896 YHTQZDXWKUGQNU-AZUAARDMSA-N 447.605 2.300 10 10 IECE COCCCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)CCCN2C 1769692279 MRRRIPAZMRMZTE-LJQANCHMSA-N 447.605 2.084 10 10 IECE COc1ccc(N2CCN(C(=O)CN=c3nc(O)c4ccc(Cl)cc4[nH]3)CC2)cc1 1858521502 HNRVTGMKXLSVPT-UHFFFAOYSA-N 427.892 2.180 10 10 IECE N[C@@H](CCCO)c1cc(I)cc(I)c1O 95769153 CEMFFOIAJAMQKT-VIFPVBQESA-N 433.027 2.374 10 10 IECE CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@]3(C)CCN(C(=O)OC(C)(C)C)C3)nc12 750519199 GNBBORFLAUIJDX-OAQYLSRUSA-N 448.476 2.302 10 10 IECE CNc1ncc(C(=O)OCC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)s1 770036724 WWUJIJJAAAIPLI-BETUJISGSA-N 436.509 2.411 10 10 IECE c1cc(N2CCN(CC3CC3)CC2)ccc1CNC1CCN(CCN2CCOCC2)CC1 773145553 JTBXTSKWYSBJPB-UHFFFAOYSA-N 441.664 2.105 10 10 IECE C[C@H]1CN(c2ccc(CNC(=O)C(=O)NCCCc3ccccn3)cc2F)C[C@H](C)O1 789817131 FVUCLMMBOONBOL-IRXDYDNUSA-N 428.508 2.200 10 10 IECE CCOC(=O)c1cnn(C2CCN(CC(=O)NCc3ccc(N(C)C)cc3)CC2)c1C 796094238 OYNRCRCTNLWKDU-UHFFFAOYSA-N 427.549 2.388 10 10 IECE COc1ccc(N2CCN(C[C@H](O)CN(C)[C@@H](c3ccccc3)c3nc[nH]n3)CC2)cc1 1194984938 YEZGFKWNXUERNG-GGAORHGYSA-N 436.560 2.018 10 10 IECE Cc1cc(N(C)C)ccc1Cn1c(Cc2ccncc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1289423438 KSRWYQCVXJUOTB-SFHVURJKSA-N 433.560 2.354 10 10 IECE COC[C@]1(CN(C)C)COCCN1C(=O)Cn1c2c(c3cc(OC)ccc31)CCCC2 1438823681 VRKJGBYVOVCRCD-XMMPIXPASA-N 429.561 2.334 10 10 IECE CC(C)Cc1nnc(N2CCNC(=O)CC2)n1Cc1ccc(N2CCSCC2)cc1 1509226689 LJWBNZFLPRVMGU-UHFFFAOYSA-N 428.606 2.404 10 10 IECE COc1cc(CC(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)cc(OC)c1OC 1535157144 SODYLRZYKVRSLP-UHFFFAOYSA-N 441.528 2.273 10 10 IECE CCc1nnc(N(CCCOC)[C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(C)C)cc1C 1546439946 BRGRHADXONQXBK-FQEVSTJZSA-N 449.621 2.293 10 10 IECE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NCc2cc(O)ccc2O)cc1 1558174165 GQSCJZIMPMJUGI-IBGZPJMESA-N 432.498 2.160 10 10 IECE CC(=O)N1CCN(c2ccc(CNC(=O)c3cc(C)n(-c4cnn(C)c4)c3C)cc2)CC1 1616251233 CEEACVFAZVKNCZ-UHFFFAOYSA-N 434.544 2.426 10 10 IECE CN(C)c1ccc(CNC(=O)CN(C)[C@@H](C(N)=O)c2cccc(Br)c2)cc1 1642485679 NFTFYRRASCNEBU-LJQANCHMSA-N 433.350 2.290 10 10 IECE Cn1nccc1[C@H]1C[C@@H](NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)CCO1 1672771393 VLISXFPPYPIGOT-SIKLNZKXSA-N 427.549 2.348 10 10 IECE COc1ccc(N2CC[C@H](CNC(=O)N3C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C3)C2)cc1 1682187948 ASCLMMCDFCWLIX-KBRIMQKVSA-N 449.495 2.138 10 10 IECE C[C@H](Cc1ccc(O)cc1)N(C)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1683731816 YXEAHCQQRTXDDA-QGZVFWFLSA-N 431.558 2.400 10 10 IECE COc1ccc(N2CCN(C(=O)CNC(=O)c3n[nH]c(C)c3-c3ccccc3)CC2)cc1 1869058062 CZEWTQFGTQMDNY-UHFFFAOYSA-N 433.512 2.472 10 10 IECE Cc1c(NC=C2C(=O)NC(=O)N(Cc3ccc(F)cc3)C2=O)c(=O)n(-c2ccccc2)n1C 2296925490 IWGQCVNAPZVRGO-UHFFFAOYSA-N 449.442 2.198 10 10 IECE NC(=O)C[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S 2314541563 NXISTPZRVZCKGP-GFCCVEGCSA-N 447.450 2.385 10 10 IECE CCOc1cc(C=C2SC(=S)N(CCC(=O)NCCCC(=O)O)C2=O)ccc1O 2314827325 BRHSJVPLPQAODT-UHFFFAOYSA-N 438.527 2.363 10 10 IECE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccc(N(C)C)c(F)c2)C1 746803167 MYPYOSUATHUTNU-MRXNPFEDSA-N 438.525 2.214 10 10 IECE COc1ccc(O)c([C@H](C)NS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 751319013 QPMCAGMAQXGWHP-AWEZNQCLSA-N 440.543 2.225 10 10 IECE CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)N(Cc2ccco2)Cc2ccccc2O)C1=O 753017937 CHBRNTBIFCJRAC-KSFYIVLOSA-N 426.473 2.418 10 10 IECE CCc1ccccc1NC(=O)CN1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 757508872 OSTOJTFQSNMKNL-UHFFFAOYSA-N 439.472 2.249 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C/C(=O)Nc3cccc(-c4nc[nH]n4)c3)CC2)cc1 778276803 WHCKDWFYGNLKAW-MDZDMXLPSA-N 432.484 2.324 10 10 IECE Cc1cc(C(=O)NS(=O)(=O)c2cn(CC(C)C)cn2)ccc1NC(=O)C1=S=CC=C1 782704745 XCPLDOFDANVDOT-UHFFFAOYSA-N 446.554 2.182 10 10 IECE CC(C)c1nnc2n1CCN(CC(=O)NCc1ccc(N3CCOCC3)c(F)c1)[C@@H]2C 784378681 URBPHOGBJCIXNI-MRXNPFEDSA-N 430.528 2.070 10 10 IECE COc1ccc(N2CC[C@H](NC(=O)c3cccc([N+](=O)[O-])c3N3CCOCC3)C2)cc1 1131029582 DDYNUOUCQRKALG-INIZCTEOSA-N 426.473 2.449 10 10 IECE COC(=O)[C@@H]1C[C@H](NC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)[C@H]2C[C@H]21 1156440650 GTDRNPOKOJRZGT-COMQUAJESA-N 436.511 2.182 10 10 IECE COc1ccc(O)c([C@H](C)NC(=O)[C@@H](CCC(N)=O)NC(=O)OCc2ccccc2)c1 1182637674 XWROCNVCHLHJGL-KBXCAEBGSA-N 429.473 2.139 10 10 IECE CO[C@H](CNC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O)[C@H]1CCOC1 1300636083 YIXLUMRFXCDAHV-BLLLJJGKSA-N 426.516 2.036 10 10 IECE CCc1nnc(N2CCC(NS(=O)(=O)CC)CC2)n1CCCSc1nccs1 1306144388 RGGYCVKSZRIJJP-UHFFFAOYSA-N 444.652 2.388 10 10 IECE CCC(C)(C)[C@@H](C)NC(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1312975569 GITFMBNGNWRFOL-QGZVFWFLSA-N 440.610 2.271 10 10 IECE NC(=O)c1cccc(S(=O)(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 1322085334 WMCADUKHRRMXHM-CQSZACIVSA-N 425.457 2.334 10 10 IECE CN(C)C(=O)[C@@H]1CCCN1CCCn1c(C2CC2)nnc1N(C)Cc1ccccc1O 1503358724 HVEVGNSJSDEIRJ-IBGZPJMESA-N 426.565 2.440 10 10 IECE O=C(CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)NCC(=O)NCc1ccco1 1534129934 TVGQHKDCDIYFSG-YBEGLDIGSA-N 447.513 2.443 10 10 IECE COc1ccc(N2CCN(C(=O)[C@H]3CC(=O)N(c4ccccc4OC)C3)CC2)c(OC)c1 1534277791 CQDWNKJLYZXXPN-KRWDZBQOSA-N 439.512 2.414 10 10 IECE CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)CNS(=O)(=O)c1ccccc1 1568378477 GOYPCGPAWLPAEZ-UHFFFAOYSA-N 447.557 2.354 10 10 IECE O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)N(CCN1CCOCC1)CC1CC1 1673472640 SWHICFDBQBKQKQ-UHFFFAOYSA-N 438.519 2.055 10 10 IECE CN(C)C(=O)OC[C@@H]1CCCCN1C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1684170062 ZLCHPGJLWNVQGJ-FQEVSTJZSA-N 445.564 2.151 10 10 IECE O=C(NCc1ccc(N2CCC(O)CC2)cc1)N1CCN(Cc2nccn2C(F)F)CC1 1684280369 KHLSZIFKDAELGE-UHFFFAOYSA-N 448.518 2.267 10 10 IECE CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)NCc1cc(F)c(N3CCOCC3)c(F)c1)CC2 1686724161 KKOHSZRRCNAMKW-RTBURBONSA-N 439.503 2.263 10 10 IECE Cc1nnc(N2CCO[C@H](COC(C)C)C2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1762631818 WWYBTIXBOXQDMW-QHCPKHFHSA-N 443.592 2.474 10 10 IECE CN(Cc1ccccc1O)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1767112333 YDFJIZALXRXKNE-LPHOPBHVSA-N 449.577 2.143 10 10 IECE CCC[C@@H](NC(=O)c1ccc(Cl)nn1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869058200 DKYPSBWTHOHDQJ-GOSISDBHSA-N 431.924 2.386 10 10 IECE CCOc1cc(C=C2SC(=S)N(N3CCOCC3)C2=O)ccc1OCCC(=O)O 2314933614 BWWDAWGEXQODMQ-UHFFFAOYSA-N 438.527 2.387 10 10 IECE CC1(C)OC(=O)C(=CNc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)C(=O)O1 10121465 VRIBPRCCIWUZOP-UHFFFAOYSA-N 430.482 2.340 10 10 IECE Cc1cc(/C=C\C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCCC2)c(C)n1-c1ccccc1 207648792 PUKLPFGLCQHFGR-WTKPUWKFSA-N 427.570 2.485 10 10 IECE CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCN(C[C@H]3CCCCN3C)CC2)c1 738172914 XOIDKPXNINOUOU-XMMPIXPASA-N 444.620 2.029 10 10 IECE COc1ccc(N2CCN(CCNC(=O)C3CCN(C(=O)c4ccoc4)CC3)CC2)cc1 742921742 YUJOLFFZHGVRLX-UHFFFAOYSA-N 440.544 2.079 10 10 IECE COc1ccc(N2CCN(CCNC(=O)NCc3ccc(OC(C)C)nc3)CC2)cc1 742939450 FVAMPHSADAZAMM-UHFFFAOYSA-N 427.549 2.499 10 10 IECE COc1ccc(N2CCN(C(=O)CN(C)Cc3cn(C)nc3C(F)(F)F)CC2)cc1 750165341 OILKXKKTLHRELM-UHFFFAOYSA-N 425.455 2.228 10 10 IECE Cc1cc(C(=O)COC(=O)c2ccc(S(N)(=O)=O)cn2)c(C)n1-c1ccc(F)cc1 769837237 JNMBKWGNUKOZMX-UHFFFAOYSA-N 431.445 2.315 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CCCC[C@@H]3c3ccnn3C)CC2)cc1 799047462 AHSHKAUZWNIVJK-GMAFFVFYSA-N 437.544 2.387 10 10 IECE CCOC(=O)c1cnn2c(O)cc(CN3CCC[C@H]3C(=O)Nc3ccc(OC)cc3)nc12 917106347 VFOZSFAHADNGKI-SFHVURJKSA-N 439.472 2.223 10 10 IECE CC(C)(C)c1cc(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)nc2ncnn12 1125325037 FFQUITUVFPCGQK-INIZCTEOSA-N 435.532 2.054 10 10 IECE COCCN(CCOC)C1CN(C(=O)Cn2c3c(c4cc(OC)ccc42)CCCC3)C1 1164355774 KLKWPPBBTPRJLP-UHFFFAOYSA-N 429.561 2.334 10 10 IECE Cc1cc(N(C)C)ccc1Cn1c(N2CCCN(S(C)(=O)=O)CC2)nnc1C(C)(C)C 1289425969 JWXWEPMICWHCEU-UHFFFAOYSA-N 448.637 2.470 10 10 IECE COc1ccc(N2CCN(C(=O)[C@@]3(N(C)C)COc4ccccc4C3)CC2)c(OC)c1 1302001246 VLHXBCJWQLLJPG-DEOSSOPVSA-N 425.529 2.288 10 10 IECE CCN(CC)c1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H]2CCOC2)cc1 1313681580 UQALQJWRGBMELD-UYAOXDASSA-N 447.605 2.300 10 10 IECE CCOCc1nnc(N2CCCN(c3ccc(OC)cc3)CC2)n1CCCn1ccnn1 1314373419 BBKZRLFPJSUPQU-UHFFFAOYSA-N 440.552 2.222 10 10 IECE CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2)N(C)C)cc1 1439961349 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IECE O=C(CN1C(=O)COc2ccc(Cl)cc21)NCc1ccc(N2CCC(O)CC2)cc1 1557639365 HQJRNTKYCBUPRI-UHFFFAOYSA-N 429.904 2.343 10 10 IECE COCCN(CC1CC1)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N(C)C)c(F)c1 1619908836 IHRDAQCTHOHIJB-GOSISDBHSA-N 430.528 2.345 10 10 IECE CN(C)CCn1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)n1 1630368744 VRVUJDGXNXCAMO-UHFFFAOYSA-N 425.455 2.230 10 10 IECE CCOc1ccc(N2CCN(C(=O)C3=NOC4(C3)CN(C(=O)OC(C)(C)C)C4)CC2)cc1 1630992133 HXDJLCIIBYBBCR-UHFFFAOYSA-N 444.532 2.500 10 10 IECE COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)CS(=O)(=O)C(F)F)c2C)c1 1653077205 LLUDURXSNZXUAY-UHFFFAOYSA-N 443.424 2.487 10 10 IECE CCCCNC(=O)[C@@H]1CCCN(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)C1 1685243874 DGBFDXJDSNRCJM-HXUWFJFHSA-N 443.592 2.226 10 10 IECE CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(N(C)C)cc1C)[C@H]1CCS(=O)(=O)C1 1709956039 KLJZMBPOOAYWGE-QUCCMNQESA-N 447.605 2.218 10 10 IECE CNC(=O)[C@H]1CN(c2nnc(CC3CCCC3)n2Cc2ccc(N(C)C)c(F)c2)CCO1 1748223204 WYAZDFMALSYWNI-HXUWFJFHSA-N 444.555 2.215 10 10 IECE Cc1cc(N(C)C)ccc1Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1751433346 XDUUBLAQGDVPME-QUCCMNQESA-N 447.605 2.218 10 10 IECE Cc1cccc(-c2nnc(N(C)Cc3ccccc3O)n2C[C@@H]2CCS(=O)(=O)C2)n1 1751604098 MPAVXCVRDMNVAY-INIZCTEOSA-N 427.530 2.425 10 10 IECE CCc1nnc(N2CCN(C(=O)OC)CC2)n1Cc1ccc(N2CCSCC2)cc1 1763089699 FBJCJWWXACRTTM-UHFFFAOYSA-N 430.578 2.330 10 10 IECE CN(C)c1cccc(NC(=O)c2ccc(N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)cc2)c1 1868173612 CMZCSCXXRFKSIU-JOCHJYFZSA-N 442.585 2.314 10 10 IECE COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccncc3)C2=O)ccc1OCC(=O)O 210453692 QXVUAZYCJZTDBS-DHDCSXOGSA-N 445.478 2.100 10 10 IECE COc1ccc(N2CCN(CCNC(=O)NCC(=O)Nc3ccc(Cl)cc3)CC2)cc1 742928013 GRHNCDHKVCRXEE-UHFFFAOYSA-N 445.951 2.409 10 10 IECE CC(C)(C)OC(=O)N1[C@H]2CCC[C@H]1CN(C(=O)c1cc(NS(C)(=O)=O)ccc1O)C2 783741582 ZARPVJXMIAHDIV-GJZGRUSLSA-N 439.534 2.378 10 10 IECE C[C@@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ncn(C(C)(C)C)n3)cc2F)C[C@@H](C)O1 784639060 QMPIESHVYMZKRW-ZIAGYGMSSA-N 432.500 2.041 10 10 IECE Cn1c(=O)ccc2ccc(NC(=O)NCc3ccc(N4CCS(=O)(=O)CC4)cc3)cc21 786013801 HVAUEGDYYXHRSL-UHFFFAOYSA-N 440.525 2.095 10 10 IECE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(=O)NC1CCN(c2ccccc2)CC1 793877916 FPTDIYMXYPGKCA-UHFFFAOYSA-N 436.556 2.267 10 10 IECE COc1ccc(N2CCN(CCNC(=O)C(=O)N3CCC[C@@H]3C3CCCC3)CC2)cc1 803746522 DESYVHKEVCEFSB-JOCHJYFZSA-N 428.577 2.115 10 10 IECE O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)c1cccn(CC(F)(F)F)c1=O 1129549634 QPVLEKOALYPUIL-UHFFFAOYSA-N 431.361 2.455 10 10 IECE NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CCN(Cc4ccccc4)C3=O)cc2)C1 1141996365 SAISOMLBAVGGGQ-IRLDBZIGSA-N 434.540 2.053 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CCO[C@H](CC(F)(F)F)C3)CC2)cc1 1148486118 QGGGGMYQVBRLQN-HPFMTEOYSA-N 441.450 2.080 10 10 IECE Cc1nnc(N(C)Cc2ccc(N3CCOCC3)cc2)n1C[C@@]1(N(C)C)CCSC1 1290720208 HJKQIRVPMVFPST-QFIPXVFZSA-N 430.622 2.497 10 10 IECE COc1ccc(N2CCN(c3nnc([C@@H]4CCC(=O)N4)n3C[C@@H](C)SC)CC2)cc1F 1315513542 WNZJFKPOLZFCCU-PBHICJAKSA-N 448.568 2.455 10 10 IECE C[C@@H]1CC(=O)NN1C(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 1540711223 KVCNLHWLDWRPOF-SZJBZFAYSA-N 440.344 2.302 10 10 IECE COCCCn1nc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)ccc1=O 1631426024 VPJVUZDMQUZZDH-QGZVFWFLSA-N 434.924 2.033 10 10 IECE CON(C)C[C@H](O)Cn1cc(NC(=O)c2cccc(-n3c(C)cc(C=O)c3C)c2)cn1 1631875586 NFLPIJUVQNZNPN-NRFANRHFSA-N 425.489 2.210 10 10 IECE C[C@H]1CN(c2ccc(CNC(=O)CN3CCOC[C@@H]3C[C@H]3CCOC3)cc2F)C[C@@H](C)O1 1648473609 MJLOGJNPRIOHQC-JYRKZWEQSA-N 449.567 2.183 10 10 IECE COc1ccc(N2CC[C@H](NC(=O)NCC3(S(=O)(=O)NC(C)(C)C)CCC3)C2)cc1 1683944248 APQNHGOJRWZYQO-INIZCTEOSA-N 438.594 2.214 10 10 IECE CN(Cc1ccc(N2CCOCC2)cc1)c1nnc(C(C)(C)C)n1CCS(C)(=O)=O 1696685140 WWPIYTOFQMDDLE-UHFFFAOYSA-N 435.594 2.093 10 10 IECE CO[C@@H](C)Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1697117353 LTSCBORIPILZKS-KRWDZBQOSA-N 425.537 2.187 10 10 IECE CCO[C@]1(c2nnc(N(C)CCOC)n2Cc2ccc3c(c2)CCCN3C)CCOC1 1710436734 QWOKDLMHOLGCHW-HSZRJFAPSA-N 429.565 2.444 10 10 IECE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC2CC2)n1Cc1ccc2c(c1)CCCN2C 1751205633 ZESILHYLEPCULC-OAHLLOKOSA-N 432.594 2.165 10 10 IECE Cc1cc(C)n(Cc2nnc(N3CC[C@H](C(N)=O)C3)n2CCCSc2nccs2)n1 1762435562 AIJSUIFYDJVVJZ-HNNXBMFYSA-N 446.606 2.090 10 10 IECE COC(=O)c1ccc(O)c([C@H](C)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)c1 756402515 SVEPNOZQBMBBBM-ZDUSSCGKSA-N 440.543 2.112 10 10 IECE C[C@@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)N1CCN2C(=O)OCC[C@H]2C1 764445127 BKJLCUBSMKEUMD-HOCLYGCPSA-N 433.464 2.316 10 10 IECE CN1CC[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2O)[C@@H]1c1ccc(F)c(F)c1 765417005 FDTLNBIMGMQMHN-WMZOPIPTSA-N 425.457 2.217 10 10 IECE COc1ccc(N2CCN(CCNC(=O)C(=O)N[C@@H](c3ccccc3)C(C)C)CC2)cc1 774377963 APKUPJSHBBDVBZ-HSZRJFAPSA-N 438.572 2.447 10 10 IECE NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C(=O)N3CCC4(CCCCC4)C3)cc2)C1 793716982 CTNQTFOWBYQMRS-IBGZPJMESA-N 426.561 2.187 10 10 IECE CN(C)c1ccc([C@@H](CNC(=O)c2cnn(C)c2I)N(C)C)cc1 1134881751 GIYWNWNFRAHYOJ-OAHLLOKOSA-N 441.317 2.123 10 10 IECE Cc1cc(N(C)C)ccc1Cn1c(Cc2ccccn2)nnc1N(C)CCS(C)(=O)=O 1289424324 UTOBEAGIHPCZGY-UHFFFAOYSA-N 442.589 2.167 10 10 IECE CCn1cc(Br)c(C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)n1 1442470327 IZEFCNJKDUDVNN-UHFFFAOYSA-N 436.354 2.226 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C\C(=O)NC3CCN(c4ccncc4)CC3)CC2)cc1 1457181051 TWLGUUGLPZLNTM-SREVYHEPSA-N 449.555 2.080 10 10 IECE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O 1536549129 BBVXGURVIWOTBI-QGZVFWFLSA-N 432.565 2.188 10 10 IECE Cc1cc(N(C)C)ccc1Cn1c(-c2ccccn2)nnc1N(C)CCS(C)(=O)=O 1542226671 FPMRQNHEONWCKI-UHFFFAOYSA-N 428.562 2.244 10 10 IECE Cn1cc([C@@H]2CSCCN2C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)cn1 1565363559 SCTAEVFFOQWDQJ-FQEVSTJZSA-N 442.589 2.122 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3Cc4c[nH]nc4CC(C)(C)C3)CC2)cc1 1630695268 NSRABNAYLLVUTN-HJWRWDBZSA-N 437.544 2.234 10 10 IECE COc1ccc(N2CC[C@@H](NC(=O)N(C)CCNS(=O)(=O)c3ccc(C)cc3)C2)cc1 1636853872 MECAZFVYTGRWGG-GOSISDBHSA-N 446.573 2.202 10 10 IECE COC(=O)[C@@]12C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1)C2 1651953311 MVYXIGMLXBKYOM-QKRFWZDMSA-N 446.500 2.416 10 10 IECE CCOC(=O)C1CCC(O)(C[C@@H](O)CN[C@H](C)c2ccc(N3CCOCC3)cc2)CC1 1653993503 GYNCSHPARAICMQ-KSASVDEESA-N 434.577 2.409 10 10 IECE C[C@H]1CN(c2ccc(CNC(=O)CN3CCOC[C@@H]3C[C@@H]3CCCO3)cc2F)C[C@@H](C)O1 1660399064 NPVTZDAFOCJXNO-YHELAOLJSA-N 449.567 2.325 10 10 IECE COc1ccc(N2CC[C@H](NC(=O)N3CCN(c4ncccc4[N+](=O)[O-])CC3)C2)cc1 1683945627 UTRICEGCJCOMLM-INIZCTEOSA-N 426.477 2.109 10 10 IECE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1705523153 SOHOHIFGGBLRPC-UHFFFAOYSA-N 440.523 2.402 10 10 IECE CCc1nnc(N2CCC(CC(=O)NC)CC2)n1Cc1ccc(N2CCOCC2)c(F)c1 1709083074 QWIQLGBNZGXRFF-UHFFFAOYSA-N 444.555 2.217 10 10 IECE CCCS(=O)(=O)NC1CCN(c2nnc(C)n2Cc2ccc(N(C)C)c(F)c2)CC1 1709884510 HJNKVHFGFVPYOB-UHFFFAOYSA-N 438.573 2.138 10 10 IECE COCCN1CCN(c2nnc(C3CCCC3)n2Cc2ccc(N(C)C)c(F)c2)CC1=O 1730795895 SAUXWXUPBUAASP-UHFFFAOYSA-N 444.555 2.484 10 10 IECE CCN(CC)c1ccc(Cn2c(Cc3ccncc3)nnc2N2CCN(C)C(=O)C2)cc1 1746093404 MJSUYCPXROSHML-UHFFFAOYSA-N 433.560 2.437 10 10 IECE COCCN1C[C@@H](Cn2c([C@@H]3CCCCO3)nnc2N(C)Cc2ccccc2O)CC1=O 1771125857 FGCNSQNUNVECPW-PXNSSMCTSA-N 443.548 2.357 10 10 IECE Cc1ccc(C)n1-c1ccc(C2=C(NCCN(C)C)C(=O)N(CCc3cnc[nH]3)C2=O)cc1 1873164447 BZLGVLAGVLZCDY-UHFFFAOYSA-N 446.555 2.291 10 10 IECE CCOc1cc(C=C2C(=N)N3C(SC)=NSC3=NC2=O)ccc1OS(C)(=O)=O 2297345097 QKFWJTNPQYCMCA-UHFFFAOYSA-N 440.528 2.363 10 10 IECE CC1CCN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(CC(=O)O)C2=O)CC1 2314400666 PXHVICCJPRECLC-UHFFFAOYSA-N 444.538 2.217 10 10 IECE COc1ccc(N2CCN(C(=O)CCn3c(=O)c(N(C)C)nc4ccccc43)CC2)cc1 222868160 HEFZNHQYRZSQMH-UHFFFAOYSA-N 435.528 2.210 10 10 IECE O=C(Nc1cccc(N2CCOCC2)c1)c1c(F)ccc(S(=O)(=O)NC2CC2)c1F 729841387 GSCZESXTZUCKJR-UHFFFAOYSA-N 437.468 2.494 10 10 IECE CCc1c(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cnc2c1c(=O)n(C)c(=O)n2C 753949946 INHILHYKMZMXHW-UHFFFAOYSA-N 437.544 2.311 10 10 IECE 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CCc1nnc(N2CCC(C(=O)N3CCOCC3)CC2)n1Cc1ccc(N(C)C)cc1C 1762945112 DIPYQFOZUSRJOE-UHFFFAOYSA-N 440.592 2.338 10 10 IECE CCOCc1nnc(N2CCCN(c3ccc(OC)cc3)CC2)n1Cc1ccn(C)n1 1767908674 XPQWVBSROPALPM-UHFFFAOYSA-N 425.537 2.322 10 10 IECE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4C)[C@H]3c3ccc[nH]3)CC2)cc1 1865593088 KSNBOGUFFPIMRS-HXUWFJFHSA-N 448.527 2.109 10 10 IECE CCN(C(=O)[C@H](C)N1C(=O)C(=Cc2cccs2)SC1=S)[C@H]1CCS(=O)(=O)C1 2296554266 BOSHFUUYXQYLIF-RYUDHWBXSA-N 444.625 2.373 10 10 IECE CN(C)c1ccc(CN(C[C@H](O)COc2ccccc2F)[C@H]2CCS(=O)(=O)C2)cc1 256038161 LUUKVKQDOALRJB-PMACEKPBSA-N 436.549 2.321 10 10 IECE COC(=O)/C=C\c1ccc(N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)c([N+](=O)[O-])c1 728909014 IPKLNZAIMXPTLD-YHWKNFMLSA-N 430.505 2.350 10 10 IECE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cc(N2CCCC2=O)ccc1F 741675816 VHQLQLMPXYRCDX-UHFFFAOYSA-N 445.516 2.117 10 10 IECE CC[C@H](CO)N1CCN(c2cc([N+](=O)[O-])c(OC)c(Br)c2[N+](=O)[O-])CC1 742424846 VRFSJHYBKMVVCU-SNVBAGLBSA-N 433.259 2.167 10 10 IECE O=C1CN(C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)[C@H]2CCCC[C@H]2N1 769058976 ZHFDCHIRQOJQSX-YADHBBJMSA-N 425.577 2.171 10 10 IECE CN(C)S(=O)(=O)c1ccccc1CNC(=O)NCc1cc(Br)ccc1O 804886785 BAPKGAZXEDOGQA-UHFFFAOYSA-N 442.335 2.404 10 10 IECE CN1CCN(c2ccc(CNC(=O)NC[C@H](Cc3ccccc3Cl)C(N)=O)cc2)CC1 1313213064 YQJLMDQTSYYGPP-IBGZPJMESA-N 443.979 2.235 10 10 IECE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 1320149160 HJEOAXAOPLRLPJ-ZACQAIPSSA-N 427.453 2.263 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N[C@H](C)c3cc4n(n3)CCCC4)CC2)cc1 1452595762 HUSIFAWZNZAZGT-DOJUMQAQSA-N 437.544 2.310 10 10 IECE CNC(=O)[C@H]1CCCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(N(C)C)cc2C)C1 1517507145 ILXBEJBJAYNCRQ-SFHVURJKSA-N 436.564 2.064 10 10 IECE NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)Cn3cc(C=O)c(-c4ccccc4)n3)cc2)C1 1544930328 XOKUJDCPSRWYFP-HXUWFJFHSA-N 445.523 2.381 10 10 IECE CN(C[C@]1(O)CCc2ccccc21)C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1565364211 KBZRPBUTPDHWLZ-RUZDIDTESA-N 436.556 2.364 10 10 IECE O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cccn(CC(F)(F)F)c1=O 1566022959 ICWPHYUZNZOQSG-UHFFFAOYSA-N 427.398 2.441 10 10 IECE CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1587035153 LOIPBNGOUXCKEA-UHFFFAOYSA-N 435.527 2.482 10 10 IECE COc1ccc(N2CCN(CCCNC(=O)[C@@H]3CCCN(C(C)(C)C)C3=O)CC2)cc1 1623437244 SEOMOSMPEJPXTN-NRFANRHFSA-N 430.593 2.361 10 10 IECE COc1cc(N2CCN(C(=O)c3cc(C(=O)OC(C)(C)C)n[nH]3)CC2)cc(OC)c1OC 1624805212 PNRIKRIDLULQCL-UHFFFAOYSA-N 446.504 2.353 10 10 IECE NS(=O)(=O)c1cc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c(Cl)o1 1630263078 TUWZGDQLGOKJMQ-LBPRGKRZSA-N 448.328 2.334 10 10 IECE O=C(NCc1ccc(N2CCC(O)CC2)cc1)NC[C@@H]1CC(=O)N(Cc2ccccc2)C1 1633957020 IFEOCAXCWGLRKB-NRFANRHFSA-N 436.556 2.496 10 10 IECE COc1ccc(N2CC[C@@H](NC(=O)N3CCN(C(=O)c4cscn4)[C@@H](C)C3)C2)cc1 1636854117 SNPKARDUDLUMTN-JKSUJKDBSA-N 429.546 2.287 10 10 IECE CN(C)c1ccc([C@@H](CNC(=O)CN2CCC(NC(=O)OC(C)(C)C)CC2)N(C)C)cc1 1637005030 ZSCQDTWCKRQXBR-OAQYLSRUSA-N 447.624 2.461 10 10 IECE COc1cccc(CNC(=O)N[C@@H]2CC3(CN(C(=O)OC(C)(C)C)C3)n3ccnc32)c1O 1684431357 HBBSWYWNTVZSDD-OAHLLOKOSA-N 443.504 2.488 10 10 IECE CC(C)[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(N(C)C)c(F)c2)CCO1 1723225145 KRDMNOWQJCQKMI-MJGOQNOKSA-N 430.528 2.344 10 10 IECE CCOCc1nnc(N2CCO[C@@H](CC)C2)n1Cc1ccc(N2CCOCC2)c(F)c1 1766438359 UOQIOTDSUASWEL-SFHVURJKSA-N 433.528 2.454 10 10 IECE CN(C)c1ccc(Cn2c(-c3cccnc3)nnc2N(C)CCCS(C)(=O)=O)cc1F 1766909875 VNWIXZAURMHAHA-UHFFFAOYSA-N 446.552 2.464 10 10 IECE C[C@@]1(NS(=O)(=O)CCOc2ccc(N)cc2)CCN(C(=O)OCc2ccccc2)C1 2162741091 BSSLXGRUVXZUKS-OAQYLSRUSA-N 433.530 2.368 10 10 IECE Cc1cc(C(=O)COC(=O)C[C@@H]2NC(=O)NC2=O)c(C)n1-c1cccc(Br)c1 751566190 PBKXNMVAFHTULQ-HNNXBMFYSA-N 448.273 2.181 10 10 IECE COc1ccc(N2CCN(C[C@H](O)CN3CCC[C@H](NC(=O)OC(C)(C)C)C3)CC2)cc1 754011138 BKWIMMHXZYRZOH-FPOVZHCZSA-N 448.608 2.167 10 10 IECE COc1cc(N2CCN(C(=O)[C@H]3CCCN3c3nccs3)CC2)cc(OC)c1OC 759241430 PVFLULQMCNWNPM-MRXNPFEDSA-N 432.546 2.487 10 10 IECE COc1ccc(N2CCN(C[C@H](O)CN3CCC[C@H](C(=O)OC(C)(C)C)C3)CC2)cc1 766952195 OUHDBDAZAOUBEA-FPOVZHCZSA-N 433.593 2.232 10 10 IECE CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)NCc1ccc(N2CCCC2)cc1 767251800 ZNCZACIGYIIMQU-SFHVURJKSA-N 439.578 2.231 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C\C(=O)NCCN(C)C3CCCCC3)CC2)cc1 778244443 PWZMJNSVAGWDAB-SEYXRHQNSA-N 428.577 2.281 10 10 IECE CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)CC)cc2)cc1 917751145 BBKFIEIIGNAFRW-UHFFFAOYSA-N 432.545 2.043 10 10 IECE C[C@H]1CN(c2ccc(CNC(=O)C3(O)CN(C(=O)OC(C)(C)C)C3)cc2F)C[C@H](C)O1 1136311653 YHFUKVCIEBPYKQ-GJZGRUSLSA-N 437.512 2.037 10 10 IECE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCC1(N2CCOCC2)CCN(C)CC1 1251864576 ANAFLAXDFGLVAN-HXUWFJFHSA-N 431.625 2.088 10 10 IECE CN(Cc1ccccc1O)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(F)cn1 1314753754 YMTPTPVGKWIUAI-HNNXBMFYSA-N 431.493 2.105 10 10 IECE CC(C)(C)OC(=O)N1C[C@@H]2COC[C@]2(C(=O)NCc2ccc(N3CCOCC3)cc2)C1 1442231192 GMQZYBWMZIHAMS-WZONZLPQSA-N 431.533 2.023 10 10 IECE COc1ccc(CNC(=O)/C=C\C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1 1444659945 AOISOLYWARDCCA-KHPPLWFESA-N 437.540 2.393 10 10 IECE COc1ccc(CNC(=O)/C=C/C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1 1444659955 AOISOLYWARDCCA-ZHACJKMWSA-N 437.540 2.393 10 10 IECE O=C1NCCN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)[C@H]1c1ccccc1F 1479030469 IUFMNERONJCHAG-NRFANRHFSA-N 426.492 2.170 10 10 IECE COCCOC1(Cn2c([C@@H]3CCOC3)nnc2N(C)Cc2ccccc2O)CCOCC1 1519345928 XRBRJVDMUMTDCD-LJQANCHMSA-N 446.548 2.336 10 10 IECE CC(C)(C)C(=O)N1CCC[C@@H](C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)C1 1535157200 UOHXLGFHUJLUMT-LJQANCHMSA-N 428.577 2.289 10 10 IECE CC(C)(C)OC(=O)NCCN1CCC[C@H](C(=O)NCc2cc(Cl)ccc2O)C1=O 1583820476 CMHSIZRMRKAGFR-OAHLLOKOSA-N 425.913 2.425 10 10 IECE CC(C)(C)OC(=O)NC[C@]1(C(=O)NCc2ccc(N3CCOCC3)cc2)CCCOC1 1597493303 GIWLWZCAXMTIDN-HSZRJFAPSA-N 433.549 2.461 10 10 IECE CN(C)c1ccc([C@H](CNC(=O)c2ccc(S(=O)(=O)NC(C)(C)C)o2)N(C)C)cc1 1616858192 IOUXXQGVPJXZKH-KRWDZBQOSA-N 436.578 2.455 10 10 IECE CNC(=O)C(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ccccc1O 1618512985 IYICQWAFPZFMOW-UHFFFAOYSA-N 440.504 2.120 10 10 IECE Cc1ccc(C(=O)NCc2ccc3cccnc3c2O)cc1S(=O)(=O)N1CCOCC1 1638569547 HQTWCOCLMDKVTN-UHFFFAOYSA-N 441.509 2.200 10 10 IECE Cn1cncc1[C@@H](CO)NC(=O)CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S 1641453896 NFPRITMIXRFXGI-UVYNJXETSA-N 434.518 2.000 10 10 IECE COc1cc(N2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)c([N+](=O)[O-])cc1OC 1651348357 NBCZRIBYOJEIMY-UHFFFAOYSA-N 449.485 2.326 10 10 IECE NC(=O)[C@@]1(c2ccccc2)CCN(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)C1 1681849784 JFAOQPHFSWGXFE-QHCPKHFHSA-N 444.482 2.140 10 10 IECE COC(=O)C1CC2(C1)C[C@@H](NC(=O)NC[C@@H]1CCN(c3ccc(OC)cc3)C1)CCO2 1683504548 WTIBLHGJQAREMI-OQXXTQHASA-N 431.533 2.322 10 10 IECE CCc1noc([C@@H]2CC[C@@H](NC(=O)NCc3ccc(N4CCC(C(N)=O)CC4)cc3)C2)n1 1684176479 VXXXGMHTNRWOTO-QZTJIDSGSA-N 440.548 2.469 10 10 IECE CN(Cc1ccccc1O)c1nnc(CN2CCCC2=O)n1CCOc1ncccc1F 1747754421 RIIMWYNSEWSBNG-UHFFFAOYSA-N 440.479 2.356 10 10 IECE C[C@@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1C(=O)C(=Cc2ccc(F)cc2)SC1=S 2296556309 CGPUIQAUKIUJQH-FZMZJTMJSA-N 442.559 2.061 10 10 IECE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)C=Cc3cccc([N+](=O)[O-])c3)CC2)cc1 2328589560 DHEDOWWEVZVPCQ-KRWDZBQOSA-N 438.484 2.470 10 10 IECE Cc1cc(C(=O)COC(=O)c2ncsc2S(N)(=O)=O)c(C)n1-c1ccc(F)cc1 753887941 AWDHUXDZLRFYQB-UHFFFAOYSA-N 437.474 2.377 10 10 IECE O=C(NCCCSc1nccs1)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 780844328 VOWCDBXAHMWVEP-UHFFFAOYSA-N 438.600 2.412 10 10 IECE COc1ccc(N2CCN(CCNC(=O)c3ccc(O[C@H]4CCOC4)cc3)CC2)cc1 788740499 ABXVTWVDGRYRKR-QHCPKHFHSA-N 425.529 2.415 10 10 IECE Cc1[nH]c(-c2ccncc2)nc(=O)c1CC(=O)NCc1cc(Br)ccc1O 804739827 VAIMBAIITILHMZ-UHFFFAOYSA-N 429.274 2.467 10 10 IECE COc1ccc(N2CCN(CCN3C(=O)N[C@@](C)(c4ccc(F)cc4)C3=O)CC2)cc1 812348876 WQQHHIFDLLHBHH-QHCPKHFHSA-N 426.492 2.424 10 10 IECE CC[S@@](=O)CCn1c(CC2CC2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1516873476 OKPWSEQUOBGKCF-SSEXGKCCSA-N 435.569 2.474 10 10 IECE 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CCC(CC)NC(=O)c1nnc(N(C)Cc2ccccc2O)n1CC1(O)CCOCC1 1613531062 PEIOIKDIBZMAPD-UHFFFAOYSA-N 431.537 2.080 10 10 IECE CCOC(=O)CN(Cc1ccccc1O)C(=O)CNC(=O)N1CCc2ccccc2C1 1630480761 GSXWNYVPGWKNMU-UHFFFAOYSA-N 425.485 2.052 10 10 IECE Cc1nc(CS(C)(=O)=O)sc1CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C 1640236047 XKLQTTMSCZHNIY-KRWDZBQOSA-N 438.619 2.024 10 10 IECE CN(C)c1ccc([C@H](CNC(=O)c2cc(S(N)(=O)=O)cc(Cl)c2F)N(C)C)cc1 1648477888 IEEDGUMGIKVDOW-KRWDZBQOSA-N 442.944 2.225 10 10 IECE CCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(N2CCCC2)cc1 1696433811 WLAOZHQOWSSDJF-IBGZPJMESA-N 447.605 2.453 10 10 IECE Cc1cc(N(C)C)ccc1Cn1c(-c2cccnc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1707305182 SBNNXBLUFKZGEJ-FQEVSTJZSA-N 440.573 2.386 10 10 IECE COC[C@H]1CN(c2nnc(C(C)(C)C)n2Cc2ccc(N3CCOCC3)cc2)CCO1 1712281257 WYADIABRLJJVKY-HXUWFJFHSA-N 429.565 2.312 10 10 IECE CNC(=O)N1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(N(C)C)cc2C)CC1 1729737061 FUJNCJCVUNKSRB-LJQANCHMSA-N 427.553 2.014 10 10 IECE COc1ccc(N2CCN(c3nnc(C(C)(C)C)n3C[C@H]3CCC(=O)N3)CC2)cc1F 1768704928 RSQWIKWCSWORED-OAHLLOKOSA-N 430.528 2.329 10 10 IECE Cc1nnc(NC(=O)COc2cn(CCCOc3ccc(N)cc3)c(C)cc2=O)s1 1857916752 KXQHCGLGHIIRAV-UHFFFAOYSA-N 429.502 2.385 10 10 IECE CCCn1cccc(C(=O)N[C@@H](CC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)c1=O 1862020202 WFYBWBPLLUVDRE-NRFANRHFSA-N 440.544 2.124 10 10 IECE CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(C)C)=C(N)O2 1864013585 DDUGQHKBPNYMCS-SFHVURJKSA-N 443.548 2.029 10 10 IECE Nc1ccc(N(CC(=O)Nc2cc(Cl)cc(Cl)c2)[C@H]2CS(=O)(=O)C[C@@H]2O)cc1 583927435 CMRHQYIIWOKFQP-IRXDYDNUSA-N 444.340 2.179 10 10 IECE O=[N+]([O-])c1ncccc1S(=O)(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 768576474 WNTRVGSDRPPWCR-UHFFFAOYSA-N 431.518 2.000 10 10 IECE CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc(C(=O)OC)cc(F)c2C)cc1 769864723 AFPKUDWNLDVFHN-UHFFFAOYSA-N 430.479 2.483 10 10 IECE CS(C)(=O)=NS(=O)(=O)c1cccc(C(=O)NCCCSc2nccs2)c1 1144322356 PGKCFMAZCOHYBA-UHFFFAOYSA-N 433.602 2.472 10 10 IECE O=C(CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)N1CCc2nnc(O)cc2C1 1154784461 WUDSVUGCBORKTB-CXUHLZMHSA-N 444.513 2.498 10 10 IECE CC(C)N(C[C@@H]1CCC(=O)N1)C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 1162079678 FCHODNCFTUIBDA-AWEZNQCLSA-N 437.543 2.384 10 10 IECE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)[C@H]3C[C@@H]3c3cccc(F)c3)cc2)CC1 1211512837 OHCSMPFBDDKADK-YADHBBJMSA-N 431.533 2.470 10 10 IECE O=C(CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)N1CCN(C2CC2)C(=O)C1 1265678126 KDWJLEMXMFPSDA-WJDWOHSUSA-N 433.530 2.250 10 10 IECE CC(=O)N1CCN(c2ccc(CNC(=O)Cc3ccccc3N3CCCC3=O)cc2)CC1 1296401694 QMHFGVJMMZHMIM-UHFFFAOYSA-N 434.540 2.341 10 10 IECE COc1ccc(N2CCN(c3nnc(CC(C)C)n3Cc3nncn3C)CC2)cc1F 1300248068 UGLOVXFORNLWTR-UHFFFAOYSA-N 428.516 2.128 10 10 IECE O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@@H]1CCO[C@H]1c1ccc(O)nc1 1313140751 JNDCZWWWLCBHPZ-IRLDBZIGSA-N 426.517 2.325 10 10 IECE COc1ccc(N2CC[C@H](NC(=O)c3ccc(-n4cc(Br)cn4)nn3)C2)cc1 1437582097 VVVPFMLBWCIUCX-AWEZNQCLSA-N 443.305 2.442 10 10 IECE NS(=O)(=O)c1ccsc1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 1464277433 XRQHBWHPRWQPEK-UHFFFAOYSA-N 449.476 2.181 10 10 IECE O=C(CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)N[C@@H](CO)C1CCOCC1 1467612150 ILNAYBFQFROICG-FDIDWWNZSA-N 438.546 2.321 10 10 IECE CN(Cc1ccccc1O)c1nnc(-c2cnn(C)c2)n1CCCOC[C@H]1CCOC1 1503487997 PZQGAGJZESEKDJ-QGZVFWFLSA-N 426.521 2.464 10 10 IECE CCOC(=O)N1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(N(C)C)cc2C)CC1 1516052247 ZFCKTCVFEBWQMN-IBGZPJMESA-N 442.564 2.483 10 10 IECE C[C@H]1CC(=O)NN1C(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 1540711222 KVCNLHWLDWRPOF-PPLKPFPSSA-N 440.344 2.302 10 10 IECE CN1CCN(c2ccc(CNC(=O)NCC3(C(=O)OC(C)(C)C)CCOCC3)cc2)CC1 1564969673 XQBZEJQZUYXIIB-UHFFFAOYSA-N 446.592 2.376 10 10 IECE COc1ccc(N2CCN(CCNC(=O)c3cc([N+](=O)[O-])c(N(C)C)cc3F)CC2)cc1 1583751000 DLKHMONYUHOVBQ-UHFFFAOYSA-N 445.495 2.361 10 10 IECE CS(=O)(=O)CCCCNC(=O)CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S 1584327934 DFESMUBJNFXTRL-NTCAYCPXSA-N 444.575 2.358 10 10 IECE COc1cc(N)c(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1S(C)(=O)=O 1631363217 GPJIDOXJDURDDC-AWEZNQCLSA-N 433.530 2.009 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NC[C@@H]3CCO[C@H](C(C)C)C3)CC2)cc1 1635902387 WUQYLOSDLTYICQ-OQBDSEHNSA-N 429.561 2.467 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CCC(Nc4ccccn4)CC3)CC2)cc1 1644888943 MURRAWHEVQEOER-MDZDMXLPSA-N 449.555 2.398 10 10 IECE O=C1/C(=C/c2ccc(Br)cc2)SC(=S)N1CC(=O)N1CC=C[C@H]1CO 1650965433 RSHGXJHGBASNTQ-IAOKNECISA-N 439.356 2.410 10 10 IECE CN1CCN(c2ccc(CNC(=O)[C@@H]3c4c[nH]nc4CN3C(=O)OC(C)(C)C)cc2)CC1 1651023743 FBAUGPUZADACSS-FQEVSTJZSA-N 440.548 2.270 10 10 IECE Cc1nsc(N2CCCN(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N(C)C)CC2)n1 1684606056 ACADCGKDICQBEV-LJQANCHMSA-N 431.610 2.437 10 10 IECE CN(C)c1ccc([C@H](CNC(=O)N2CCO[C@H](c3noc(C4CC4)n3)C2)N(C)C)cc1 1687807708 VXQIRMCBJXDIOT-OALUTQOASA-N 428.537 2.399 10 10 IECE COc1ccc(N2CCN(c3nnc(C(C)(C)C)n3CCn3cncn3)CC2)cc1F 1697472019 VIYXADPVYUTIFA-UHFFFAOYSA-N 428.516 2.342 10 10 IECE C[C@@H]1CN(c2nnc(-c3cccn3C)n2Cc2ccc(N(C)C)c(F)c2)CC(=O)N1C 1708188621 VRXQBEUMAWOARV-OAHLLOKOSA-N 425.512 2.204 10 10 IECE CN(C)c1ccc(Cn2c(Cc3cccnc3)nnc2N2CCC(C(N)=O)CC2)cc1F 1711006591 NJMSBVOYTFRUOZ-UHFFFAOYSA-N 437.523 2.219 10 10 IECE CCc1nnc(N2CCC[C@@H](CC(N)=O)C2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1727574763 DFSGJPDEYFVAKA-FQEVSTJZSA-N 440.592 2.189 10 10 IECE CNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCCSc2nccs2)CC1 1729673128 UNSUKUSNGIKVQR-UHFFFAOYSA-N 444.590 2.336 10 10 IECE CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(CC)nn2CC)[C@@H]1c1ccc(O)c(O)c1 1865035649 YPFXWBBYHVEOTB-SFHVURJKSA-N 444.532 2.192 10 10 IECE C[C@H]1CN(c2ccc(CNC(=O)N3CCN(c4cccnn4)CC3)cc2F)C[C@@H](C)O1 725865370 VXBPZANVIHRMOA-CALCHBBNSA-N 428.512 2.261 10 10 IECE COc1ccc(N2CCN(CCNC(=O)[C@@H]3CCCN3C(=O)c3ccccc3)CC2)cc1 742920804 NRSOXTRWILFXOW-QHCPKHFHSA-N 436.556 2.238 10 10 IECE O=C1C[C@@H]([C@@H]2CCCCN2CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)CN1 764468267 ZAAHZWAQFANICJ-QRWLVFNGSA-N 431.492 2.391 10 10 IECE CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 1137082194 RTXSRLCTNXPLFT-RDTXWAMCSA-N 445.532 2.479 10 10 IECE CCCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N(C)C)c(F)c1 1306794963 FNRJYWWGBQIWCT-AWEZNQCLSA-N 426.562 2.378 10 10 IECE CC(=O)N1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(N(C)C)cc2C)CC1 1359390669 JIPPCOAPELDKJU-HXUWFJFHSA-N 426.565 2.263 10 10 IECE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1c(C)nn(C2CCOCC2)c1C 1447349903 VTFXALXGQVHXEZ-KRWDZBQOSA-N 431.489 2.167 10 10 IECE CC(=O)N1c2ccc(S(=O)(=O)NCc3ccc(N4CCC(O)CC4)cc3)cc2C[C@H]1C 1464148806 PBZYIRDKSHWJMJ-MRXNPFEDSA-N 443.569 2.424 10 10 IECE CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)CN(C)c1ncnc2[nH]cnc12 1467629141 MMIGOJIZMXCBMW-UHFFFAOYSA-N 439.520 2.178 10 10 IECE O=C(NCc1ccc(N2CCC(O)CC2)cc1)N1CCS(=O)(=O)c2ccccc2C1 1470905468 ONYIZQTVRHXUJK-UHFFFAOYSA-N 429.542 2.147 10 10 IECE COCCO[C@H](C)c1nnc(N2CCC[C@H](C(N)=O)C2)n1Cc1ccc(N(C)C)cc1C 1504973280 JHEPHULLAVCGJM-MJGOQNOKSA-N 444.580 2.127 10 10 IECE C[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc3c(c2)CCCN3C)C1 1512286883 MGFMEZCTVLWILZ-JKSUJKDBSA-N 432.594 2.165 10 10 IECE O=C(CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)N1CCO[C@]2(CCOC2)C1 1529822616 WTKQHTQAXRLNQN-MBNYPGIVSA-N 436.530 2.435 10 10 IECE Cc1c(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)nnn1-c1cnn(C)c1 1530287764 JIBIVTHQRIQNPE-UHFFFAOYSA-N 431.447 2.309 10 10 IECE CCOC(=O)c1cnn2c(O)cc(CN[C@@H](Cc3ccccc3)[C@@H](O)C(F)(F)F)nc12 1560100616 QKUGXGGLGDSAHZ-DOTOQJQBSA-N 438.406 2.236 10 10 IECE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)C3C[C@H]4CCC[C@H](C3)C4)CC2)cc1 1586836766 RMSRFXZCARONOH-OALUTQOASA-N 449.617 2.480 10 10 IECE CC(=O)N1CCN(c2ccc(CNC(=O)CN3CC[C@H](c4ccccc4)NC3=O)cc2)CC1 1616252723 VNDVPBBEPGHWQI-HSZRJFAPSA-N 449.555 2.128 10 10 IECE Cc1[nH]nc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1I 1630550047 HXPHBFPPIYOAAP-UHFFFAOYSA-N 444.248 2.228 10 10 IECE C[C@@H](NC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12)c1ccccc1O 1648890085 YYXYIUJDGAPCCB-GZOSKZMVSA-N 438.546 2.240 10 10 IECE COc1ccc(N2CCN(C[C@H](O)CN(C)C[C@H]3CCN3C(=O)OC(C)(C)C)CC2)cc1 1655713840 UKXZEQHJJWPQLP-NHCUHLMSSA-N 448.608 2.119 10 10 IECE C[C@H]1CN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CC[C@H](C(F)(F)F)O1 1674276476 HJSLOYONDVPJNW-WMLDXEAASA-N 449.495 2.173 10 10 IECE COc1ccc(N2CCN(C(=O)NCc3c(C(F)(F)F)cnn3C)CC2)c(OC)c1 1687177427 MMRSZJPKZLSTJJ-UHFFFAOYSA-N 427.427 2.488 10 10 IECE COc1ccc(N2CCCN(c3nnc(Cc4ccccn4)n3CC(=O)N(C)C)CC2)cc1 1711865056 GUYYIZMLCVVECW-UHFFFAOYSA-N 449.559 2.077 10 10 IECE COCCn1c(Cc2cccnc2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1730769959 JILBSUXPMCCMQF-UHFFFAOYSA-N 426.496 2.385 10 10 IECE CCn1cc(C=C2SC(N3CCN(S(=O)(=O)c4ccccc4)CC3)=NC2=O)c(C)n1 2297507699 VXHPZBJFVZQPGS-UHFFFAOYSA-N 445.570 2.188 10 10 IECE CN(C(=O)OC(C)(C)C)C1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1 730593366 PQZVYWIZEPYRDI-UHFFFAOYSA-N 427.523 2.235 10 10 IECE COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2Cc1c(O)ccc(C(=O)c2ccccc2)c1O 747829040 BWQLFELUJQYTAV-HNBVOPMISA-N 439.464 2.254 10 10 IECE COC(=O)c1coc(C(=O)OCC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1 759735885 AVTLCIKQBVFXFF-KBPBESRZSA-N 448.447 2.292 10 10 IECE COc1ccc(N2CCN(CN3C(=O)N[C@]4(CC(C)(C)OC4(C)C)C3=O)CC2)cc1F 765082140 WQHADXBEMKRLEP-JOCHJYFZSA-N 434.512 2.182 10 10 IECE COCCO[C@H]1C[C@@H](CO)CN(CC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)C1 773964555 PQEVYNUZUWPPCX-QUCCMNQESA-N 444.528 2.351 10 10 IECE O=S(=O)(NCc1ccc(N2CCN(CC3CC3)CC2)cc1)c1ccc2c(c1)OCO2 778035306 LUIVMQKNEGLJTC-UHFFFAOYSA-N 429.542 2.426 10 10 IECE CN(C)c1ccc(NC(=O)C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cn1 784767106 NQNRTCURTNALER-KRWDZBQOSA-N 431.924 2.226 10 10 IECE COc1ccc(N2CCN(CCNC(=O)c3ccc(O[C@@H]4CCOC4)cc3)CC2)cc1 788740497 ABXVTWVDGRYRKR-HSZRJFAPSA-N 425.529 2.415 10 10 IECE C[C@@H]1CN(c2ccc(CNC(=O)C(=O)N3CCC(c4ncc[nH]4)CC3)cc2F)C[C@@H](C)O1 789823115 ZAKUYHLFCPEORS-HZPDHXFCSA-N 443.523 2.185 10 10 IECE CN1CCCc2cc(CN3C(=O)N[C@@](C)(c4ccc(S(C)(=O)=O)cc4)C3=O)ccc21 804151799 YXVXCXGKBZCSGZ-QFIPXVFZSA-N 427.526 2.440 10 10 IECE COc1cc(N2CCN(C(=O)C(=O)N[C@@H](C)c3nc(C)cs3)CC2)cc(OC)c1OC 804504007 LTFGKIKVBBQPFP-AWEZNQCLSA-N 448.545 2.003 10 10 IECE CC[C@H]1CN(C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)C[C@@H](C)S1(=O)=O 813122013 CEPPIMZBCWZJEY-GCJKJVERSA-N 448.633 2.326 10 10 IECE NC(=O)C[C@@H](NC(=O)Cc1cccc(F)c1)C(=O)NCc1ccc(N2CCCCC2)cc1 1142844018 IPNPUTQPNRYHMQ-OAQYLSRUSA-N 440.519 2.035 10 10 IECE CCc1c(C(=O)NCc2ccc(N3CCN(C(C)=O)CC3)cc2)nnn1Cc1ccccc1 1154271361 PIVONPJSGUFTEH-UHFFFAOYSA-N 446.555 2.487 10 10 IECE COC(=O)[C@]12CCC[C@H]1N(CC(=O)NCc1ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c1)CC2 1197582620 VNSOISPGGJQZDC-UQVXDKKUSA-N 447.551 2.473 10 10 IECE C[C@@H](NC(=O)C[C@H]1CS(=O)(=O)c2ccccc2O1)c1ccc(N2CCOCC2)cc1 1292236260 SCGMGGFFGQZFKS-APWZRJJASA-N 430.526 2.325 10 10 IECE CCN(CC)c1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CC(=O)N(C)[C@@H](C)C2)cc1 1295414687 JWDZWQFVCZMBAG-KRWDZBQOSA-N 436.564 2.240 10 10 IECE O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)N[C@@H]([C@@H]1CCCO1)C1(CO)CCC1 1312834319 XBAWSLFKBWIYBD-ICSRJNTNSA-N 439.503 2.311 10 10 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CC[C@H]1C(=O)NCCN1c1nnc(Cc2ccncc2)n1Cc1ccc(N(C)C)c(F)c1 1546585078 MESARQOLBNLHBK-IBGZPJMESA-N 437.523 2.232 10 10 IECE O=C(N[C@H]1C[C@H]2CCCCN2C1=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 1556917046 DDHJBGSDQRNOFZ-HIFRSBDPSA-N 435.527 2.138 10 10 IECE CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 1626515975 JEXKAPKXKRMWRQ-IRLDBZIGSA-N 447.576 2.255 10 10 IECE CC(C)N(CCN(C)C(=O)OC(C)(C)C)C(=O)c1cc(NS(C)(=O)=O)ccc1O 1638731268 RREBNBBPOZTWIS-UHFFFAOYSA-N 429.539 2.481 10 10 IECE COC(=O)c1cc(OCC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)ccc1N(C)C 1644178100 BPDUNEDDBHIKTK-UHFFFAOYSA-N 439.512 2.470 10 10 IECE CCC1(N2CCOCC2)CCN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC1 1674713421 YGIFPUQUCZFIOH-UHFFFAOYSA-N 430.593 2.434 10 10 IECE CCOC(=O)c1cc2n(n1)C[C@H](C)N(C(=O)N[C@@H]1CCN(c3ccc(OC)cc3)C1)C2 1682645295 CADFVPIKVCVLMG-JKSUJKDBSA-N 427.505 2.261 10 10 IECE CN1CCN(c2ccc(CNC(=O)N[C@H](C3CCOCC3)C3(CO)CCC3)cc2)CC1 1683701749 KTKNXNRXACKUCM-JOCHJYFZSA-N 430.593 2.195 10 10 IECE Cc1cccc([C@@H]2C(=O)NCCN2C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)c1 1687633091 YZEPIYSWBHRBPA-JOCHJYFZSA-N 449.555 2.079 10 10 IECE CC[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1)OC 1694396526 GDCJLJZRNSABSX-PMACEKPBSA-N 442.564 2.127 10 10 IECE CCN(CC)c1ccc(Cn2c(C)nnc2N2CCN(C(=O)CN3CCCC3)CC2)cc1 1695615590 BLWVPYCWKFTKQK-UHFFFAOYSA-N 439.608 2.225 10 10 IECE CN(Cc1ccccc1O)c1nnc([C@@H]2CCC(=O)N2)n1CCCOCC1CCOCC1 1729420002 CKLSXUVMPHGRID-IBGZPJMESA-N 443.548 2.405 10 10 IECE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1CCCS1 1741908347 LSWDERFTWMNITA-ZFWWWQNUSA-N 425.580 2.126 10 10 IECE CCc1nnc(N2CCN(CC(C)C)C(=O)C2)n1Cc1ccc(N2CCOCC2)cc1 1763121921 ZGJZWYVMXHJKIJ-UHFFFAOYSA-N 426.565 2.030 10 10 IECE CN(C)C(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccc(N2CCCC2)cc1 1768447222 MJDCFXGONLLURG-LJQANCHMSA-N 426.565 2.497 10 10 IECE COc1cc(/C=C2/SC(=S)N(CCCN3CCOCC3)C2=O)cc([N+](=O)[O-])c1O 1858586639 DHNIBVQNNDXTAX-RVDMUPIBSA-N 439.515 2.233 10 10 IECE CCCn1cc(C(=O)NC(C)(C)C(=O)N2CCN(c3ccc(OC)cc3)CC2)ccc1=O 1861984648 GKZNAIYKCLEAFX-UHFFFAOYSA-N 440.544 2.124 10 10 IECE Cc1cccn2c(=O)c(C=C3SC(=S)N(CCC(=O)O)C3=O)c(N3CCCC3)nc12 2314400208 LDJOQIJQQPPMKR-UHFFFAOYSA-N 444.538 2.279 10 10 IECE CN1CCC(N2C(=O)C(=C3SC(=S)N(CCC(=O)O)C3=O)c3ccccc32)CC1 2326945102 ISUPWVLGZNTJIO-UHFFFAOYSA-N 431.539 2.174 10 10 IECE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)C=Cc3ccc([N+](=O)[O-])cc3)CC2)cc1 2328577338 YFFZOXVULROFDM-KRWDZBQOSA-N 438.484 2.470 10 10 IECE CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 731544479 XOJUOKRARDLFBS-NRFANRHFSA-N 442.535 2.286 10 10 IECE CC(C)N1CCC(NC(=O)COC(=O)c2ccc3c(c2N)C(=O)c2ccccc2C3=O)CC1 744474304 QFGAPBXUCRMRDS-UHFFFAOYSA-N 449.507 2.190 10 10 IECE C[C@@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)N1CCN2C(=O)OCC[C@@H]2C1 764447188 KXUXKQSBWHYDNN-LSDHHAIUSA-N 433.464 2.316 10 10 IECE CC(C)CC[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1cc(NS(C)(=O)=O)ccc1O 769750497 CACJXTWTCDJQQF-CJNGLKHVSA-N 443.591 2.220 10 10 IECE 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COc1ccc(N2CCN(C[C@@H](O)CN[C@H](C)c3ccc(-n4ccnn4)cc3)CC2)cc1 754168032 RKOMWEDRCSPZHL-XXBNENTESA-N 436.560 2.110 10 10 IECE COc1cccc(-c2nc(C(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)no2)c1 760414595 LKPGPLHPELQRSR-KRWDZBQOSA-N 435.484 2.377 10 10 IECE C[C@H]1CN(c2ccc(CNC(=O)C(=O)NC3CCC(CN(C)C)CC3)cc2F)C[C@@H](C)O1 789821902 UXMYVLJOCRZBAH-ZVBHREPYSA-N 448.583 2.292 10 10 IECE Cn1cc([C@H]2[C@@H](C(=O)NCc3ccc(N4CCOCC4)cc3)CC(=O)N2C(C)(C)C)cn1 795020125 VSTVZTWNXWGKPZ-UNMCSNQZSA-N 439.560 2.261 10 10 IECE CN1CCN(c2cc(CNC(=O)NCc3cc(Br)ccc3O)ccn2)CC1 804916849 DDWNSIIEAYRHDI-UHFFFAOYSA-N 434.338 2.301 10 10 IECE C[C@@H](NC(=O)c1cn(CCO)nc1C1CCOCC1)c1ccc(N2CCOCC2)cc1 856619081 HZOLOAPDCVKGCV-QGZVFWFLSA-N 428.533 2.097 10 10 IECE COC(=O)[C@H](Cn1ccnc1)NC(=O)c1cc(C)n(-c2ccc(Br)cn2)c1C 1183259722 SKQDDJDPSQNKAK-INIZCTEOSA-N 446.305 2.420 10 10 IECE Cc1cc(N2CCC[C@@H](NC(=O)NCc3ccc(N4CCC(O)CC4)cc3)C2)n(C)n1 1227424824 AFEBKRQTKIJMND-LJQANCHMSA-N 426.565 2.158 10 10 IECE COC(=O)c1ccc(/C=C\C(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)o1 1349003757 HBEKXSRPYJDVKG-LUAWRHEFSA-N 427.501 2.417 10 10 IECE NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3cc(F)cc(N4CCOCC4)c3)cc2)C1 1356431974 DRCDRUBUYDUVHO-GOSISDBHSA-N 440.519 2.294 10 10 IECE COc1cc(N)c(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1S(C)(=O)=O 1446566643 MEIPKUVXFHVOHL-HNNXBMFYSA-N 434.514 2.208 10 10 IECE COc1ccc(N2CC[C@H](NC(=O)N[C@H](c3nc(-c4nc[nH]n4)no3)C(C)C)C2)cc1 1470771358 DRIQUCNVAHZJBV-BBRMVZONSA-N 426.481 2.139 10 10 IECE COCCN1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(N(C)C)c(F)c2)CC1 1519207365 FHMSNQCSAKRSGM-UHFFFAOYSA-N 439.539 2.362 10 10 IECE CNC(=O)c1cncc(/C=C\C(=O)N(CCN2CCOCC2)c2ccccc2Cl)c1 1535294838 RJTYDJOECJZVHH-SREVYHEPSA-N 428.920 2.473 10 10 IECE COc1cc(N2CCN(C(=O)c3cc(-n4ccnn4)ccc3F)CC2)cc(OC)c1OC 1536633017 FASKLWNMXUJSFI-UHFFFAOYSA-N 441.463 2.395 10 10 IECE CC(=O)N1CCN(c2nnc(C(C)C)n2Cc2ccc(N3CCC(CO)CC3)cc2)CC1 1540975504 HMZSHUOTYUHVAC-UHFFFAOYSA-N 440.592 2.327 10 10 IECE CC(C)NC(=O)c1nnc(N2C[C@@H](C)[C@@H](C)C2)n1Cc1ccc(N2CCOCC2)cc1 1608320533 GAHKJIQULYGXOF-HDICACEKSA-N 426.565 2.393 10 10 IECE CCOC(=O)c1c(NC(=O)CN2CC(=O)NCC23COC3)sc(C)c1-c1ccccc1 1620556814 VLDZXOHRIFFSRL-UHFFFAOYSA-N 443.525 2.040 10 10 IECE CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)C1 1628687316 NUJDKDXBBHRFKD-DEOSSOPVSA-N 447.576 2.274 10 10 IECE CCCOc1ccnc(CC(=O)N2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)n1 1632517276 RSJLHLWSDZRKAR-UHFFFAOYSA-N 430.505 2.183 10 10 IECE NC(=O)C1CCN(c2ccc(CNC(=O)[C@@H]3CCCC[C@H]3C(=O)N3CCCC3)cc2)CC1 1652068862 ZSPTZKNFMGSQSW-FGZHOGPDSA-N 440.588 2.433 10 10 IECE Cc1cc(N2CCC[C@H](NC(=O)NC[C@H](c3ccc(N(C)C)cc3)N(C)C)C2)n(C)n1 1672255852 GAGDTNDPUYBFRI-PZJWPPBQSA-N 427.597 2.365 10 10 IECE CC(C)N1CCN(C2CCN(C(=O)NCc3ccc(N4CCC(O)CC4)cc3)CC2)CC1 1674712492 MTHJDGIGHNPQSU-UHFFFAOYSA-N 443.636 2.348 10 10 IECE CC(C)NC(=O)CN(C)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(N(C)C)c(F)c1 1761254168 WGLOVZYMVDWKII-QGZVFWFLSA-N 432.544 2.386 10 10 IECE CN(C)c1ccc([C@H](CNC(=O)[C@@H](CO)NC(=O)c2ccccc2)N2CCCCC2)cc1 1867778434 ROIVENHMSYWHMJ-PKTZIBPZSA-N 438.572 2.187 10 10 IECE O=C1NC(=O)N(Cc2ccccc2)C(=O)C1=Cc1cc([N+](=O)[O-])ccc1N1CCOCC1 2313526778 IALRYMREAICMPN-UHFFFAOYSA-N 436.424 2.093 10 10 IECE COC(=O)/C=C/c1ccc(N2CCC(CNC(=O)c3cnn(C)c3)CC2)c([N+](=O)[O-])c1 725790978 OJZFZIROLKJZHR-GQCTYLIASA-N 427.461 2.161 10 10 IECE CN(C)CCOC1CCN(C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)CC1 769048326 SPGZQIBDLUYTNQ-UHFFFAOYSA-N 443.636 2.471 10 10 IECE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)NCc2ccc(N(C)C)c(F)c2)C1=O 771258575 XPWYCVHBJSAFKG-HSZRJFAPSA-N 442.491 2.292 10 10 IECE C[C@H](N[C@H](C)C1(S(C)(=O)=O)CC1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 794739990 BFURRWSTMNEKBY-UONOGXRCSA-N 440.521 2.344 10 10 IECE COc1ccc(N2CCCN(C(=O)c3cn(CCO)nc3C3CCOCC3)CC2)cc1 856618200 PMHVMNNARWYRRC-UHFFFAOYSA-N 428.533 2.131 10 10 IECE CNC(=O)c1ccc(S(=O)(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1 917917287 FHPXKXRQRFYMSU-GJZGRUSLSA-N 435.521 2.277 10 10 IECE O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@H]1CSCN1C(=O)c1ccccc1 918138314 JYYDBDZNFSVTAG-HXUWFJFHSA-N 429.517 2.494 10 10 IECE NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3ncc(Br)cc3O)cc2)C1 1136340209 IIYXCILLHGRTDK-ZDUSSCGKSA-N 433.306 2.181 10 10 IECE CN1CCN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)[C@H](Cc2ccccc2)C1 1195796114 CUBPCKWAOQYQKF-JOCHJYFZSA-N 440.563 2.137 10 10 IECE C[C@H](NC(=O)NC[C@H](NS(=O)(=O)N(C)C)C1CCCC1)c1ccc(N(C)C)cc1 1226646539 AUHUEJSWXQHCQZ-KXBFYZLASA-N 425.599 2.068 10 10 IECE COc1cc(CCNC(=O)N2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)ccn1 1234156843 GNTMEDDFUIVJRJ-UHFFFAOYSA-N 430.505 2.190 10 10 IECE Cn1nc(C(=O)OC(C)(C)C)cc1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 1264737263 VOBMSLILZIICQG-MRXNPFEDSA-N 441.532 2.007 10 10 IECE COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(Cc4ccccc4)C[C@@H]3CO)C2)cc1 1312994496 LABMKMHTUQNAAS-ZFGGDYGUSA-N 438.572 2.456 10 10 IECE COc1ccc(N2CCN(CCCNC(=O)[C@]3([C@@H]4CCCCO4)CCCO3)CC2)cc1 1356065521 NZIMAMWYRNKNRQ-LADGPHEKSA-N 431.577 2.442 10 10 IECE 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Cc1ccc(C(=O)N2CCS(=O)(=O)[C@@H]3COCC[C@H]32)cc1-n1c(C)cc(C=O)c1C 1299147975 DHHRYWJITRBRDQ-TZIWHRDSSA-N 430.526 2.243 10 10 IECE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NC[C@H](O)COc1ccc2c(c1)OCO2 1312883062 BFTPNTZPBXZCGA-LPHOPBHVSA-N 429.517 2.460 10 10 IECE COC[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(N(C)C)c(F)c2)C1 1315920458 IFWMYFBJOOSBRA-QGZVFWFLSA-N 430.528 2.127 10 10 IECE CCN(CC)c1ccc(Cn2c(-c3cnccn3)nnc2N2CCC[C@H](C(N)=O)C2)cc1 1515527911 SWBZNMAGNLNZMP-SFHVURJKSA-N 434.548 2.331 10 10 IECE O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1 1542300676 JHONMYDNNDXMHO-HXUWFJFHSA-N 425.504 2.370 10 10 IECE CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1547156456 DTZBLSRLKXTSGU-OAHLLOKOSA-N 437.541 2.065 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C\C(=O)NCc3ccc4c(c3)ncn4C)CC2)cc1 1558388096 CBYGGJBIEVWBDA-KTKRTIGZSA-N 433.512 2.103 10 10 IECE COCC[C@H](NC(=O)CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)C(=O)OC 1570053208 XHDXHEIJYPDPRU-XFNCEPBJSA-N 440.518 2.111 10 10 IECE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(N(C)C)cc2C)CCO1 1618688534 BRDGUVNPJQDQKB-FQEVSTJZSA-N 438.532 2.220 10 10 IECE COC(=O)[C@@H]1CCCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(N(C)C)cc2C)C1 1618849023 JOWYWFLVSGPZFW-GOSISDBHSA-N 442.564 2.228 10 10 IECE COC(=O)[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1cccc(C(F)(F)F)c1 1633871381 HBAQUGSMISVAFO-OAHLLOKOSA-N 446.403 2.427 10 10 IECE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@H]1CCCCN1C(=O)c1ccc(O)nn1 1638243921 PQSKPRLOPAGZSX-OXJNMPFZSA-N 425.533 2.299 10 10 IECE CC(=O)N1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(N(C)C)cc2C)[C@H](C)C1 1741049705 OELAVRJHLDZDKI-XLIONFOSSA-N 426.565 2.262 10 10 IECE Cc1ccc(C)n1[C@@H](CC(=O)N1CC(S(=O)(=O)c2nncn2C)C1)c1ccc(F)cc1 1851665713 TYRGLKMLMSYCKH-IBGZPJMESA-N 445.520 2.037 10 10 IECE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3cnc[nH]3)C(=O)N(CCN(C)C)C2=O)cc1 1873168589 ARTMLATXZKUAEB-UHFFFAOYSA-N 446.555 2.291 10 10 IECE CCN(C(=O)CCN1C(=O)C(=Cc2ccccc2)SC1=S)[C@@H]1CCS(=O)(=O)C1 2296247537 CECFNWDEESZLIB-OAHLLOKOSA-N 438.596 2.314 10 10 IECE COC(=O)c1cc(NC(=O)CN2CCN(c3ccc(OC)cc3)CC2)cc(C(=O)OC)c1 14195330 FYVBWOPLLLSLAY-UHFFFAOYSA-N 441.484 2.029 10 10 IECE CCn1cc(C)c(C(=O)O)c1CC(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 64980707 QIJLDNBJLUHQMV-UHFFFAOYSA-N 428.533 2.004 10 10 IECE CC(C)(C)OC(=O)NCC(=O)Nc1ccc(CNC(=O)c2cc(O)c(O)c(O)c2)cc1 219141773 VBZUVYLPWGTOFB-UHFFFAOYSA-N 431.445 2.197 10 10 IECE CCN1C(=O)C(=c2sc(=C3N(C)c4ccccc4C3(C)C)c(=O)n2CC)SC1=S 254507482 SUEWUYNYONLARP-UHFFFAOYSA-N 445.635 2.454 10 10 IECE CCOC(=O)c1ccc(S(=O)(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)o1 768583819 WDQREOFADLCAKB-UHFFFAOYSA-N 447.557 2.467 10 10 IECE COc1ccc(N2CCN(C(=O)c3cc(Cl)c(-n4cnnn4)cc3OC)CC2)cc1 916032687 FSKNIRNAFCPLII-UHFFFAOYSA-N 428.880 2.295 10 10 IECE C[C@H]1CN(c2ccc(CNC(=O)C3(O)CN(C(=O)OC(C)(C)C)C3)cc2F)C[C@@H](C)O1 1136311652 YHFUKVCIEBPYKQ-GASCZTMLSA-N 437.512 2.037 10 10 IECE Cc1cc(C)nc(N2CCN(C(=O)NCc3cc(F)c(N4CCOCC4)c(F)c3)CC2)n1 1229781768 PKNBNJOWKGRNOS-UHFFFAOYSA-N 446.502 2.240 10 10 IECE 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COc1ccc(N2CCN(CCNS(=O)(=O)Cc3noc4ccccc34)CC2)cc1 760564471 CAABCGNWOCSURM-UHFFFAOYSA-N 430.530 2.078 10 10 IECE CC(C)(C)[C@@H](O)C[C@H](CO)NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 803568021 XTPRZXUIZOPDBA-CJNGLKHVSA-N 442.559 2.142 10 10 IECE CCN(CC)c1ccc(CNC(=O)C(=O)N2CCN(c3nc(C)cc(C)n3)CC2)cc1F 804851523 FHDHTGOVXFJUTD-UHFFFAOYSA-N 442.539 2.044 10 10 IECE COc1ccc(N2CCN(CCN3C(=O)N[C@](C)(c4ccc(F)cc4)C3=O)CC2)cc1 812348875 WQQHHIFDLLHBHH-HSZRJFAPSA-N 426.492 2.424 10 10 IECE CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 1136443262 WZWGVZPZNSASOP-QAPCUYQASA-N 435.521 2.157 10 10 IECE CC1(C)CN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C[C@H](C(F)(F)F)O1 1252843093 FWZFCANJWKAAMN-MRXNPFEDSA-N 449.495 2.173 10 10 IECE C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CNC(=O)C[C@H]3C(F)(F)F)cc2F)C[C@@H](C)O1 1264689107 JWARUNUYLINLDB-QHSBEEBCSA-N 431.430 2.370 10 10 IECE CC(C)c1nnc(N2CCS(=O)(=O)CC2)n1Cc1ccc(N2CCSCC2)cc1 1302716250 TUWCLIZGVQYDFV-UHFFFAOYSA-N 435.619 2.238 10 10 IECE 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O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)NCc1noc2ccc(F)cc12 1674276487 HOLBDRYKOZPAOD-UHFFFAOYSA-N 432.477 2.201 10 10 IECE CN(C)C(=O)CN1CCN(c2nnc(C3CCC3)n2Cc2ccc(N(C)C)c(F)c2)CC1 1710989792 BBDHEPHFDBNFOQ-UHFFFAOYSA-N 443.571 2.009 10 10 IECE Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)CC(N)=O)n2Cc2ccc(N(C)C)cc2C)n1 1751834115 ZPQJEAQLVUSIOO-QGZVFWFLSA-N 438.580 2.263 10 10 IECE CC(=O)NC[C@@H]1CCCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(N(C)C)c(F)c2)C1 1760660053 RUHKVBUIFMOAIU-RBUKOAKNSA-N 444.555 2.388 10 10 IECE CNC(=O)CCCN(C)c1nnc(CC2CC2)n1Cc1ccc(N2CCOCC2)c(F)c1 1767760516 HQLRBXBEXMBNJU-UHFFFAOYSA-N 444.555 2.217 10 10 IECE CN(Cc1ccccc1O)c1nnc([C@@H]2CCCOC2)n1CC1(S(C)(=O)=O)CCC1 1768682546 ZXODWJSYYNQUQA-QGZVFWFLSA-N 434.562 2.481 10 10 IECE COc1ccc(N2CCCN(c3nnc(C)n3CC3(S(C)(=O)=O)CCC3)CC2)cc1 1768703312 IYHQOOUYSAPJGQ-UHFFFAOYSA-N 433.578 2.279 10 10 IECE COc1ccc(N2CCCN(c3nnc(CC(C)C)n3C[C@@]3(O)CCOC3)CC2)cc1 1768704757 NDHUNZXZFDBSEU-QHCPKHFHSA-N 429.565 2.353 10 10 IECE 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CN(Cc1ccccc1O)c1nnc([C@@H]2CCCCO2)n1CCCn1cc(CO)nn1 1768681851 OKRBORHXEHOKAW-IBGZPJMESA-N 427.509 2.036 10 10 IECE COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC=C1C(=O)NC(=O)N(c2cccc(C)c2)C1=O 2296348783 ITNHLBODJVTRMS-HXUWFJFHSA-N 446.463 2.317 10 10 IECE O=C(O)CCNC(=O)CN1C(=O)C(=Cc2ccc(Br)cc2)SC1=S 2314827310 BFWHYLZRWMBDFE-UHFFFAOYSA-N 429.317 2.241 10 10 IECE Cc1cc(S(N)(=O)=O)sc1C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 768532472 KPQSGTYHHNBOQH-UHFFFAOYSA-N 448.614 2.166 10 10 IECE O=C(NCc1ccc(N2CCN(CC3CC3)CC2)cc1)NC[C@H](O)COc1ccccc1 769057997 HXPMRYVQOGZFHM-QHCPKHFHSA-N 438.572 2.458 10 10 IECE CC(C)(C)OC(=O)NC/C=C/CNC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 812009665 IVLVDNUDEGFANP-WRFKIARRSA-N 445.564 2.268 10 10 IECE C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)c1 918337470 KOWUHOUQTXJMFI-KKSFZXQISA-N 441.553 2.446 10 10 IECE COc1ccc(N2CC[C@H](CNC(=O)CNC(=O)c3ccc(Br)o3)C2)cc1 1142798356 OWKRUIUDSMLBHK-CYBMUJFWSA-N 436.306 2.423 10 10 IECE CC(C)NC(=O)[C@H]1CCCN(CC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)C1 1196489068 KUCHEZOIGCIHAE-NSHGMRRFSA-N 448.583 2.292 10 10 IECE Cc1nn(-c2cccc(F)c2)cc1C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1278772388 UXTQALYMVVMDRX-UHFFFAOYSA-N 442.516 2.485 10 10 IECE Cc1ccc(C(=O)N2CCS(=O)(=O)[C@@H]3COCC[C@@H]32)cc1-n1c(C)cc(C=O)c1C 1299147974 DHHRYWJITRBRDQ-PZJWPPBQSA-N 430.526 2.243 10 10 IECE COc1ccc(N2CCN(C[C@H](O)CN3C[C@H](NC(=O)OC(C)(C)C)C[C@H]3C)CC2)cc1 1307987517 NWTDDOVHTJMPDE-SBHAEUEKSA-N 448.608 2.166 10 10 IECE CCS(=O)(=O)CCN(C)c1nnc(-c2cnccn2)n1Cc1ccc(N(C)C)cc1C 1314525712 NTIQFOINQHIJFP-UHFFFAOYSA-N 443.577 2.029 10 10 IECE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)/C=C/c3cccs3)CC2)cc1 1437453949 OMSCHPCYOBJQDK-CMDGGOBGSA-N 435.571 2.038 10 10 IECE CCOC(=O)CN(Cc1ccccc1O)C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 1469230674 ONAADXMDYYFKDF-UHFFFAOYSA-N 429.429 2.012 10 10 IECE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N1CCC(Nc2ccccn2)CC1 1478945746 WWALUCPTVMUDNL-UHFFFAOYSA-N 443.573 2.103 10 10 IECE 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CCC[C@@H](C)C(=O)NCCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1O 1695055270 HHRUHKFPSWTFOL-NVXWUHKLSA-N 428.537 2.124 10 10 IECE CCCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCOCC2)cc1 1695313924 PRYGNCPARAKVAC-IBGZPJMESA-N 447.605 2.301 10 10 IECE COc1ccc(N2CCN(c3nnc(CC(C)C)n3CCCNC(C)=O)CC2)cc1F 1697471957 SWNLQSILMDTDQW-UHFFFAOYSA-N 432.544 2.477 10 10 IECE CCC(CC)NC(=O)c1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1NC(=O)CC1(C)C 1744015777 NREDJKGDXITQKY-SFHVURJKSA-N 442.564 2.453 10 10 IECE CCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC(C)C)=C(N)O2 1864018457 LJGJSTYZQWWVFS-SFHVURJKSA-N 435.484 2.460 10 10 IECE COc1ccc(CN2C(=O)NC(=O)C(=Cc3cc(OC)c(OC)c(OC)c3)C2=O)cc1 2296740148 HAQFQRXFUKCAFR-UHFFFAOYSA-N 426.425 2.383 10 10 IECE O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCCC[C@@H]1CN1CCOCC1 745648500 QYZBUYIQVLALGN-LJQANCHMSA-N 434.556 2.183 10 10 IECE COCCN(C(=O)NCCc1cc(C)n(-c2ccccc2)c1C)[C@H]1CCS(=O)(=O)C1 774153399 NPIKIICGHPCZBQ-NRFANRHFSA-N 433.574 2.482 10 10 IECE C[C@H](NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(-n2cncn2)cc1 774819616 HXJSRBUHJCLDJS-KRWDZBQOSA-N 438.507 2.210 10 10 IECE O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NCCC1CS(=O)(=O)C1 787458367 JCJGQMXADBVNFI-ZROIWOOFSA-N 444.625 2.280 10 10 IECE C[C@@H](Cn1ncc2ccccc21)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 795366625 KATQJQKNFYODRW-KRWDZBQOSA-N 426.542 2.224 10 10 IECE COc1ccc(N2CCC(NC(=O)C(=O)N3CC[C@H](C)[C@H](n4ccnc4)C3)CC2)cc1 804318915 FOEIENNLFHGYDK-LAUBAEHRSA-N 425.533 2.086 10 10 IECE CC(C)[C@](C)(CO)NC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 812012182 QNNUFMCAYIBFHA-QFIPXVFZSA-N 430.528 2.149 10 10 IECE CCOC(=O)Cn1cc(/C=C2/C(=O)NC(=O)N(CC)C2=O)c2cc(Br)ccc21 1084400592 QCNYRSZRLZSMPR-AUWJEWJLSA-N 448.273 2.449 10 10 IECE O=C(CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)N1CC[C@@H](N2CCOC2=O)C1 1130626553 MQCIOEUVIALLNX-YLQKULKDSA-N 449.529 2.470 10 10 IECE COc1ccc2c(c1)OCCN(C(=O)NCc1ccc(N3CCS(=O)(=O)CC3)cc1)C2 1252845501 YJJRNAKFBVJQHT-UHFFFAOYSA-N 445.541 2.034 10 10 IECE CCOC(=O)c1c(NC(=O)Cn2cnc(C(N)=O)n2)sc(C)c1-c1ccc(F)cc1 1264290570 NCECUQPZFMZSCZ-UHFFFAOYSA-N 431.449 2.368 10 10 IECE CS(=O)(=O)CCS(=O)(=O)c1ccccc1C(=O)N1CCS[C@@H]2CCCC[C@@H]21 1265624849 AEXINFHXPQTZGM-JKSUJKDBSA-N 431.601 2.005 10 10 IECE CC(C)c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1CCCSc1nccs1 1287220057 RSDFCEYVEHBKGG-UHFFFAOYSA-N 437.639 2.251 10 10 IECE COC(=O)C1(C2(O)CCN(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N(C)C)CC2)CCC1 1313393814 FAHJZSWKJXGCGJ-HXUWFJFHSA-N 446.592 2.235 10 10 IECE CCOCc1nnc(N2CCN(C)C(=O)[C@@H]2C)n1Cc1ccc(N2CCSCC2)cc1 1314388421 MNZOXPQQGOVUMJ-KRWDZBQOSA-N 444.605 2.083 10 10 IECE Cc1cc(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)nn1C1CCOCC1 1355488470 CIBHEGZYHZLUNE-GOSISDBHSA-N 425.533 2.175 10 10 IECE Cc1cc(N(C)C)ccc1Cn1c(-c2cccn2C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1361095047 CGNOUHUQHRVGED-LJQANCHMSA-N 442.589 2.330 10 10 IECE CCCCN(C)S(=O)(=O)c1ccc(NC(=O)/C(=C/C2=S=CC=C2)NC(C)=O)cc1 1463549308 JBZPQVVECDIQQF-RGEXLXHISA-N 435.571 2.343 10 10 IECE CCOC(=O)CN(Cc1ccccc1O)C(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21 1469230084 FSNXITJDIZIMFR-OXFYSEKESA-N 435.546 2.010 10 10 IECE NC(=O)C1CCN(c2ccc(CNC(=O)[C@@H]3CCCCN3Cc3cccnc3)cc2)CC1 1471911964 IKONIJCODWHWBB-QHCPKHFHSA-N 435.572 2.454 10 10 IECE CN(C)c1ccc(Cn2c(C(=O)N3CCCC3)nnc2N(C)C[C@H]2CCCO2)cc1F 1516996613 QJZPCEOHCYPXFX-QGZVFWFLSA-N 430.528 2.383 10 10 IECE C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1 1540709333 LMYBBFGZDUNAOH-INIZCTEOSA-N 431.558 2.217 10 10 IECE CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(N(C)C)cc2C)C[C@H]1C 1547717929 KZMDZOVPEIVIMM-LJQANCHMSA-N 439.608 2.354 10 10 IECE Cc1cc(C(=O)N2CC3(C[C@H](O)CNC3=O)C2)c(C)n1-c1ccc(Br)cc1 1558319201 XEGNIAYWZBGKSC-INIZCTEOSA-N 432.318 2.180 10 10 IECE Cn1ccnc1[C@H](NCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)C(C)(C)CO 1654041223 ZIIQDDDAYFTEQX-QHCPKHFHSA-N 446.507 2.483 10 10 IECE Cc1cc(N2CCC[C@@H](NC(=O)NC[C@H](c3ccc(N(C)C)cc3)N(C)C)C2)n(C)n1 1672255853 GAGDTNDPUYBFRI-TZIWHRDSSA-N 427.597 2.365 10 10 IECE 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COc1ccc(N2C(=O)NC(=O)C(=CNc3cc(OC)c(OC)c(OC)c3)C2=O)cc1 2297317940 MPOJMFLKWCCECB-UHFFFAOYSA-N 427.413 2.300 10 10 IECE CCOC(=O)c1ccc(N/C=C2\C(=O)NC(=O)N(Cc3ccc4c(c3)OCO4)C2=O)cc1 104796674 LBHYZFJGDXRCNI-MHWRWJLKSA-N 437.408 2.166 10 10 IECE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)NCCCSc1nccs1 755317112 LHXDEEJSUJDABL-ZDUSSCGKSA-N 428.580 2.257 10 10 IECE C[C@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ccc4nccn4c3)cc2F)C[C@@H](C)O1 774106598 UAFPCGALCKHSBA-GASCZTMLSA-N 425.464 2.342 10 10 IECE C[C@H]1C[C@@H](C)N1CC(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 791565573 IWOXXYNSXNKXHC-WOWRAWIFSA-N 433.555 2.215 10 10 IECE CC(C)(C)OC(=O)NCCc1cnc2c(C(=O)NCc3cccc(O)c3O)cnn2c1 1176576315 IREGGVRXTMPNSF-UHFFFAOYSA-N 427.461 2.138 10 10 IECE COc1ccc(N2CCN(CCNC(=O)[C@@H]3CCCC[C@@H]3N3CCCC3=O)CC2)cc1 1292283666 XUCKHISXJIZYTE-YADHBBJMSA-N 428.577 2.115 10 10 IECE CCOCc1nnc(N(C)C[C@H]2CCOC2)n1Cc1ccc(N2CCOCC2)c(F)c1 1297070497 DIPLGVFNLPNQDM-GOSISDBHSA-N 433.528 2.311 10 10 IECE 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CCc1nnc(N2C[C@H](C)O[C@H](COC)C2)n1Cc1ccc(N2CCOCC2)c(F)c1 1727534480 WLHQIXHGZJXLSM-WMZOPIPTSA-N 433.528 2.105 10 10 IECE Cc1cc(N(C)C)ccc1Cn1c(CN2CCCC2=O)nnc1N1CCCO[C@H](C)C1 1751433179 VFDVRLGTGOZMMF-GOSISDBHSA-N 426.565 2.438 10 10 IECE CCO[C@]1(c2nnc(N(C)Cc3ccccc3O)n2C[C@H]2CCOC[C@@H]2OC)CCOC1 1765828719 NDCHGYDHBAPXAV-QMHWCDLVSA-N 446.548 2.324 10 10 IECE COc1cc(C)c(S(=O)(=O)Nc2cc(N3CCN(C=O)CC3)ccc2OC)c(C)c1 1858037526 AEBBBVSPYBOABR-UHFFFAOYSA-N 433.530 2.400 10 10 IECE COc1ccc(N2C(=O)C(=C[C@@H]3C(=O)N(c4ccccc4)N=C3C)C(=O)NC2=S)cc1 2297328572 DMDQVGKNAUUVMZ-KRWDZBQOSA-N 434.477 2.408 10 10 IECE CC[C@H](C)N1C(=O)/C(=C\NCc2nc(-c3ccc(OC)c(OC)c3)no2)C(=O)N=C1S 102690176 QDFMBQRWRGBIRT-KWJWQAOWSA-N 445.501 2.180 10 10 IECE CC(C)C[C@]1(C(=O)O)N[C@H](c2ccc(O)c(O)c2)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 248188912 JLBNCQQEFWVOSX-KTIHBUSBSA-N 438.480 2.413 10 10 IECE C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1C(=O)/C(=C\c2ccc(F)cc2)SC1=S 254743463 CGPUIQAUKIUJQH-JLCMVHJMSA-N 442.559 2.061 10 10 IECE Cn1cc(/C=C\C(=O)N2CC3(CCC3)c3cc(Br)ccc32)c(=O)n(C)c1=O 765115205 GUNFURCOVBMEPI-DAXSKMNVSA-N 430.302 2.328 10 10 IECE CN1CC[C@@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2O)[C@H]1c1ccc(F)c(F)c1 765417003 FDTLNBIMGMQMHN-SJLPKXTDSA-N 425.457 2.217 10 10 IECE CNS(=O)(=O)c1ccccc1N1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)CC1 769315815 FSGBZWKXEMYNAD-UHFFFAOYSA-N 440.909 2.184 10 10 IECE COc1ccc(N2CCN(C(=O)C[C@@]3(O)CCN(C(=O)OC(C)(C)C)C3)CC2)cc1F 1137422941 OWTAOXJDERVSBN-QFIPXVFZSA-N 437.512 2.245 10 10 IECE NC(=O)C1CCN(c2ccc(CNc3ccc4nnc(Br)n4n3)cc2)CC1 1164158784 YJBKTZVQMWACMM-UHFFFAOYSA-N 430.310 2.201 10 10 IECE CC(C)(C)c1nnc2n1CCN(C(=O)NCc1ccc(N3CCC(C(N)=O)CC3)cc1)C2 1251104901 QUSYTSLECSVXLG-UHFFFAOYSA-N 439.564 2.003 10 10 IECE CC(=O)Nc1ccc(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1Cl 1278765482 LCIMHVXGWGBDQJ-UHFFFAOYSA-N 435.933 2.463 10 10 IECE CCO/C=C\[C@](O)(CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C(F)(F)F 1471546677 FARDIMRKVAOVAN-XBAQYMQTSA-N 432.487 2.498 10 10 IECE Cc1ccc(-c2nnc(N(C)Cc3ccccc3O)n2C[C@@H]2CCN(S(C)(=O)=O)C2)o1 1510770141 ZAVYHVFKULKBDK-MRXNPFEDSA-N 445.545 2.470 10 10 IECE C[C@H](CC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1cnn(C)c1 1527973961 NOGNBFLFRFFFCP-QGZVFWFLSA-N 437.523 2.486 10 10 IECE COc1ccc(N2CCCN(C(=O)[C@@]3(C)C[C@H](O)CN3C(=O)OC(C)(C)C)CC2)cc1 1542171356 IYFJOTKGCVDLEO-FDDCHVKYSA-N 433.549 2.494 10 10 IECE Cc1cc(N(C)C)ccc1Cn1c(C)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1542226705 GOPSASBJLCAAGS-LJQANCHMSA-N 439.608 2.142 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CCc4nc(C(C)C)ncc4C3)CC2)cc1 1585391652 MLFLSAIGACVPCF-HJWRWDBZSA-N 449.555 2.398 10 10 IECE COCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1O 1597571662 HXNDPSGRPSFPSW-HNNXBMFYSA-N 444.912 2.477 10 10 IECE CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(N(C)C)c(F)c2)C[C@H]1C 1615850749 SFQNNYNGMWFMHD-MRXNPFEDSA-N 431.560 2.200 10 10 IECE CCOCc1nnc(N2CCC[C@@H](C(=O)NC)C2)n1Cc1ccc2c(c1)CCCN2C 1616837692 HXVRGBAYDSHECE-LJQANCHMSA-N 426.565 2.208 10 10 IECE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccnc2)n1Cc1ccc(N(C)C)c(F)c1 1618543622 RFKMRILSFBWCSV-HNNXBMFYSA-N 425.512 2.412 10 10 IECE Cc1cc(S(=O)(=O)CCO)ccc1NC(=O)c1ccc(C2=S=C(C=O)C=C2)cc1 1626408993 IXMVPBPPKQBLNV-UHFFFAOYSA-N 429.519 2.208 10 10 IECE O=C(CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)NCCCN1C(=O)CCC1=O 1628119126 VENDNMMZNHVKHR-QINSGFPZSA-N 449.529 2.072 10 10 IECE COC(=O)C1(NC(=O)c2ccc(C)c(-n3c(C)cc(C=O)c3C)c2)CCS(=O)(=O)CC1 1639442227 UGAYLXCPRORVHR-UHFFFAOYSA-N 446.525 2.065 10 10 IECE CCN(CC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(CC)c1=O)c1ccc(OC)cc1 1644855688 KBCIUSIMCUBNOM-UHFFFAOYSA-N 436.512 2.378 10 10 IECE Cc1nc(S(=O)(=O)N2CCC(C(=O)NCc3c(O)ccc4ccccc34)CC2)cn1C 1647791105 KEJBMFZNDOIMOL-UHFFFAOYSA-N 442.541 2.304 10 10 IECE CN1CCCc2cc(Cn3c(-c4cccnc4)nnc3N(C)CCS(C)(=O)=O)ccc21 1696881626 YQKHYSXGMRAPKM-UHFFFAOYSA-N 440.573 2.252 10 10 IECE CC[C@@H]1C(=O)NCCN1c1nnc([C@@H]2CCCOC2)n1Cc1ccc(N(C)C)c(F)c1 1709189329 MTWFPCOXZZACHZ-SJLPKXTDSA-N 430.528 2.140 10 10 IECE CN(Cc1ccccc1O)c1nnc([C@@H]2CCCCO2)n1CCC(=O)N1CCOCC1 1729420136 IATYIDINUJVMGL-IBGZPJMESA-N 429.521 2.111 10 10 IECE CC(C)CN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCOCC2)c(F)c1 1741539659 AQRKTTRHWFUNKE-GOSISDBHSA-N 430.528 2.345 10 10 IECE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)[C@H]3CCCO3)CC2)cc1 1862049783 SHLNRRVZTDSGKO-XZOQPEGZSA-N 437.540 2.250 10 10 IECE Cc1ccc(OC[C@@H](O)CN(Cc2ccc(N(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 40312810 NZADSTCKXHERCI-YADHBBJMSA-N 432.586 2.490 10 10 IECE CCNc1ccc(S(=O)(=O)N(C)C)cc1NS(=O)(=O)c1cc(F)cc(F)c1O 753022574 YSXZLECGOREJFL-UHFFFAOYSA-N 435.474 2.153 10 10 IECE C[C@@H]1CN(c2ccc(CNC(=O)C(=O)N3CC[C@H](c4ccccn4)C3)cc2F)C[C@@H](C)O1 789815900 BIZUXMSVELSKKS-LMMKCTJWSA-N 440.519 2.467 10 10 IECE C[C@H]1CN(c2ccc(CNC(=O)CN3CCOC[C@H]3CC(F)F)cc2F)C[C@@H](C)O1 796579525 QFGGXXGJORDGJT-HLLBOEOZSA-N 429.483 2.412 10 10 IECE O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)NC[C@@H](O)COc1cccc(F)c1 1229780862 JQFMLFYBEVOCHT-MRXNPFEDSA-N 439.434 2.180 10 10 IECE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Cc1csc([C@H]2CCS(=O)(=O)C2)n1 1290324054 KMUSDDDUUMKYKI-KRWDZBQOSA-N 449.598 2.083 10 10 IECE CC[C@H](C)c1nnc(N2CCN(CCOC)CC2)n1Cc1ccc(N2CCOCC2)cc1 1291644260 VPBGKHYPRAVOBN-FQEVSTJZSA-N 442.608 2.445 10 10 IECE CO[C@@]1(C)CCCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(N(C)C)c(F)c2)C1 1315246518 HCYOJXUGBCDEQC-VGSWGCGISA-N 430.528 2.488 10 10 IECE CS(=O)(=O)c1cccc(Oc2ccc(NC(=O)C3=S=c4c(cc[nH]c4=O)=C3)cc2)c1 1444354697 BHQGFRGMULKXMR-UHFFFAOYSA-N 440.502 2.160 10 10 IECE COC(=O)[C@H](NC[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1)c1cc(C)cc(C)c1 1460209291 CHRFSJQKWXQPBB-LADGPHEKSA-N 441.572 2.299 10 10 IECE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N1CCC(Cc2cccnc2)CC1 1478944974 LMZWFNWRTOTHKZ-UHFFFAOYSA-N 442.585 2.481 10 10 IECE CNC(=O)CCN(C)c1nnc(CC2CCCC2)n1Cc1ccc(N2CCOCC2)cc1 1554476628 QMSAZNALTFVKFS-UHFFFAOYSA-N 440.592 2.468 10 10 IECE COc1cc(C(=O)NCc2ccc3cccnc3c2O)cc(NS(C)(=O)=O)c1OC 1570531974 VFLJTWYSKYSLIA-UHFFFAOYSA-N 431.470 2.259 10 10 IECE CS(=O)(=O)[C@H]1C[C@H](NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)C1 1597967969 KXLZTGFRWOEEJQ-ZOQSZOOHSA-N 444.625 2.421 10 10 IECE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@@H]3[C@H]4CCCCCC[C@H]43)CC2)cc1 1616832459 JXEPRNOKOHHBEW-ZBYYUNFXSA-N 449.617 2.480 10 10 IECE CN(C)c1ccc(Cn2c([C@H]3CCCCO3)nnc2N2CCS(=O)(=O)CC2)cc1F 1617667034 RCGFPRXJUDCEDX-GOSISDBHSA-N 437.541 2.008 10 10 IECE Cn1nccc1[C@H](O)CNC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 1639196555 WIAGZOYDJARODM-MFYHJKBNSA-N 436.584 2.313 10 10 IECE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 1652434981 NYWZQWCJEKOTBP-QWHCGFSZSA-N 427.523 2.187 10 10 IECE COC(=O)c1cnc([C@H]2CCN(C(=O)NCc3ccc(N4CCN(C)CC4)cc3)C2)s1 1675581088 ZZPUOVDXEGSJIW-KRWDZBQOSA-N 443.573 2.381 10 10 IECE C[C@@H]1CN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CC[C@H]1N1CCN(C)CC1 1685682039 QWYCAXNSTZSJRN-PTUXOGIPSA-N 430.641 2.023 10 10 IECE Cc1cc(N(C)C)ccc1Cn1c(C)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1751431857 OAMYJOXVSSCDGB-UHFFFAOYSA-N 426.565 2.084 10 10 IECE Cc1cc(N(C)C)ccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CCCO1 1761697983 IFOZCBYAEGGABV-AZUAARDMSA-N 447.605 2.218 10 10 IECE CN(Cc1ccccc1O)c1nnc(Cc2ccccn2)n1C[C@H]1CCS(=O)(=O)C1 1768681680 MAFNZRNRWVMPHD-MRXNPFEDSA-N 427.530 2.041 10 10 IECE CCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2ccc3nc[nH]c3c2)[nH]1 1871625953 MMOGYYGCPDCQCU-UHFFFAOYSA-N 445.531 2.102 10 10 IECE O=C(O)COc1ccccc1C=C1SC(=S)N(NC(=O)c2cccc(O)c2)C1=O 2314926771 RIPWWZCAAFKJJU-UHFFFAOYSA-N 430.463 2.402 10 10 IECE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3S(=O)(=O)c3cccs3)CC2)cc1 749112544 DAZALLJQXPFBNK-SFHVURJKSA-N 435.571 2.259 10 10 IECE CC(C)CC[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)c1cc(NS(C)(=O)=O)ccc1O 769750499 CACJXTWTCDJQQF-CZUORRHYSA-N 443.591 2.220 10 10 IECE CCCc1c(C(=O)N[C@@H](Cc2ccc(O)c(O)c2)C(=O)OCC)[nH]c(C)c1C(=O)OC 1153663732 NTWJALKLCXVNNF-HNNXBMFYSA-N 432.473 2.378 10 10 IECE COC(=O)N1CCC([C@H](C)NC(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)CC1 1234543469 OQGLSCZIEYSQHM-INIZCTEOSA-N 445.564 2.054 10 10 IECE 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CC(C)NC(=O)c1nnc(N(C)C2CC2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1741638608 ITGJFNCBOOSBGV-UHFFFAOYSA-N 426.565 2.272 10 10 IECE O=C(N[C@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(C2CC2)on1 1867154006 RVPWRPCZIZHOAL-GOSISDBHSA-N 445.431 2.057 10 10 IECE COc1ccc(N2CCN(C(=O)Cc3nonc3OCc3c(C)noc3C)CC2)cc1 1872639827 KTQCIWLTQKCQBY-UHFFFAOYSA-N 427.461 2.153 10 10 IECE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N=c1[nH][nH]cc1Br 2181031979 UDFSFYYSSHBDHG-NSHDSACASA-N 441.282 2.080 10 10 IECE CCOc1ccc(-n2ncc(C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)c2C)nn1 45775984 MVJAXSAPQNZPJN-UHFFFAOYSA-N 436.516 2.478 10 10 IECE CCOC(=O)c1c(C)c(S(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)c(C)n1C 64863320 SRMULOXBCNSNPP-UHFFFAOYSA-N 435.546 2.338 10 10 IECE COc1ccc(O)c([C@@H](C)NC(=O)C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)c1 761968573 VTOIHESHDJIZOW-GFCCVEGCSA-N 436.534 2.019 10 10 IECE Cc1ncc(Cn2c(=CC(=O)C3CC3)sc(=Cc3ccc4c(c3)CCCN4C)c2=O)cn1 794737540 HCKZLYIXVZPYST-UHFFFAOYSA-N 446.576 2.027 10 10 IECE 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CC[C@@H](NC(=O)Cn1c2c(c3ccccc31)CN(C(C)C)CC2)C(=O)N1CCOCC1 435821040 ZNHSFCBULZGRLT-HXUWFJFHSA-N 426.561 2.161 10 10 IECE Cn1ccc(N2CCC[C@H](OC(=O)c3ccc4c(c3N)C(=O)c3ccccc3C4=O)C2=O)n1 744474084 PFPSFRBNGKAQFQ-KRWDZBQOSA-N 444.447 2.130 10 10 IECE O=C1OCc2c1cccc2S(=O)(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 768574881 BXPQSZCULXGFNY-UHFFFAOYSA-N 441.553 2.368 10 10 IECE C[C@H](CCN1CCN(C)CC1)NC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 770609731 VZVWOPMXARHSNT-OAQYLSRUSA-N 442.652 2.044 10 10 IECE COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCCN(c2ccc(OC)cc2)CC1 784274348 PEWMWGROSWLHJY-UHFFFAOYSA-N 449.485 2.291 10 10 IECE CCOCCCn1c([C@@H]2COCCO2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 802613320 BCTJNQIKPQDOMM-NRFANRHFSA-N 445.564 2.266 10 10 IECE C[C@@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C[C@@]1(C)CNC(=O)OC(C)(C)C 811604081 KSBYMXOGLFKJEU-ZUOKHONESA-N 441.550 2.387 10 10 IECE COc1ccc(N2CCN(C[C@@H](O)CN[C@@H](CNC(=O)OC(C)(C)C)C3CC3)CC2)cc1 1193237822 FNPYQABFTQMZBR-UNMCSNQZSA-N 448.608 2.071 10 10 IECE 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O=C(Cn1cccc(C(F)(F)F)c1=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 1596684466 OALZWBWSIOZYJQ-UHFFFAOYSA-N 431.361 2.298 10 10 IECE O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H]1COCCN1C(=O)OCc1ccccc1 1597494043 RILROAPDEFBWLZ-QFIPXVFZSA-N 439.512 2.177 10 10 IECE CN(C)c1ccc([C@H](CNC(=O)/C=C/CN2CCOCC2)NC(=O)OC(C)(C)C)cc1 1618252780 GUISHLVDZIUHMO-YJJPMGAVSA-N 432.565 2.323 10 10 IECE Cc1nc([C@@H]2CCN(CC(=O)NCc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)C2)no1 1620577000 QZSUEIMYGYQJCE-IIDMSEBBSA-N 431.512 2.236 10 10 IECE COCCn1cc(N2C[C@@H](C(=O)NCc3ccc(N4CCC(C)CC4)cc3)CC2=O)cn1 1633110837 JAJAZQXQXDALBA-FQEVSTJZSA-N 439.560 2.435 10 10 IECE Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)Nc2cc(S(N)(=O)=O)ccc2O)cc1 1637105072 NKLFLXGWNSTLQG-UHFFFAOYSA-N 427.482 2.441 10 10 IECE Cc1cc(C(=O)N2CC(O)(c3cnnn3C)C2)c(C)n1-c1ccc(Br)cc1 1650906134 RGEAHRIUVPMZJX-UHFFFAOYSA-N 430.306 2.329 10 10 IECE CN(Cc1ccc(N2CCCC2)cc1)C(=O)N[C@@H]1CCCN(CCN2CCOCC2)C1 1675542484 VYLNFSARTALVSW-JOCHJYFZSA-N 429.609 2.225 10 10 IECE O=C(NCc1cccc(Br)c1O)NC[C@@H]1CS(=O)(=O)c2ccccc2O1 1683513809 UURRSKYGKMNZMM-GFCCVEGCSA-N 441.303 2.189 10 10 IECE CN(C)c1ccc([C@@H](CNC(=O)NC[C@@H](O)CN2CCc3ccccc3C2)N(C)C)cc1 1685609672 PSCKLSYAEMINJP-DNQXCXABSA-N 439.604 2.074 10 10 IECE COc1cccc2c1CCN(C(=O)NCc1ccc(N3CCS(=O)(=O)CC3)cc1)C2 1687005901 BDCPSRCPKIUGHC-UHFFFAOYSA-N 429.542 2.198 10 10 IECE CO[C@@H]1CCCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(N(C)C)c(F)c2)C1 1697666352 WJMMOEZWGWCMLH-QGZVFWFLSA-N 430.528 2.269 10 10 IECE COc1ccc(N2CCN(c3nnc(CC(C)C)n3C[C@@]3(O)CCN(C)C3)CC2)cc1F 1730181078 ZRNPMMWFCJXIQZ-HSZRJFAPSA-N 446.571 2.018 10 10 IECE CC(C)c1nnc(N2CC[C@](C)(C(N)=O)C2)n1Cc1ccc(N2CCOCC2)c(F)c1 1750622873 MJCOMGAGUMFNMP-QFIPXVFZSA-N 430.528 2.127 10 10 IECE CCn1cc(OCC(=O)NC(C)C)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870509953 PBDRNDKZKWUJQX-UHFFFAOYSA-N 442.560 2.102 10 10 IECE CC(C)(C)OC(=O)NC(CO)(CO)CNCc1cc(Cl)cc(Br)c1O 2258274753 WSWDSSJCNICRCS-UHFFFAOYSA-N 439.734 2.146 10 10 IECE CC(C)COC(=O)CN1C(=O)C(=C2SC(=S)N(CCC(=O)O)C2=O)c2ccccc21 2326944875 WAGZXTHTCVNUEN-UHFFFAOYSA-N 448.522 2.279 10 10 IECE Cc1ccc2nc(NCCOCCO)c(/C=C3/SC(=S)N(C(C)C)C3=O)c(=O)n2c1 2363786 DHJGWFFMRYZGMC-XNTDXEJSSA-N 448.570 2.033 10 10 IECE Cc1cc(C(=O)COC(=O)[C@H]2CCCN(C(N)=O)C2)c(C)n1-c1ccc2c(c1)OCO2 10598724 BARSTCPRKCZQGT-HNNXBMFYSA-N 427.457 2.339 10 10 IECE O=C([C@H]1CN(C(=O)/C=C/c2cnc3ccccc3n2)c2ccccc2O1)N1CCOCC1 733657882 PLPCKLMBADGCMN-DGSRBQDKSA-N 430.464 2.296 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C\C(=O)Nc3cc(C)cc(OCCO)c3)CC2)cc1 773733569 XSAYAXUNALSWBO-FPLPWBNLSA-N 439.512 2.218 10 10 IECE COc1ccc(N2CCN(CCNC(=O)C(=O)N[C@H](c3ccccc3)C(C)C)CC2)cc1 774377968 APKUPJSHBBDVBZ-QHCPKHFHSA-N 438.572 2.447 10 10 IECE CCc1nnc(N2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)n1C[C@H]1CCCO1 802689765 QLZKQHIDLJYORE-QGZVFWFLSA-N 431.537 2.372 10 10 IECE COCCNS(=O)(=O)c1ccc(C(=O)NCc2cc(Br)ccc2O)cc1 804736964 GTOPQWIYUMLJCR-UHFFFAOYSA-N 443.319 2.009 10 10 IECE O=C(NCc1ccc(N2CCN(CC3CC3)CC2)cc1)N1CCO[C@]2(CCCOC2)C1 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WLUXGBAJCFYDFY-KNGGAZFVSA-N 440.569 2.089 10 10 IECE C[C@H]1CCCN1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1O 1612819290 XAJJRHRLTNGUFM-FUHWJXTLSA-N 433.578 2.007 10 10 IECE COc1cc(N2CCN(C(=O)[C@@H](C)N3CSCCSC3)CC2)cc(OC)c1OC 1632516830 DKQHASQZLYOXIG-OAHLLOKOSA-N 441.619 2.447 10 10 IECE CN1CCN(CC2(C)CCN(C(=O)NCc3ccc(N4CCC(O)CC4)cc3)CC2)CC1 1637228072 GBHGGOUZFSHWDU-UHFFFAOYSA-N 443.636 2.207 10 10 IECE NC(=O)[C@@H]1CCCN(c2ccc(CNc3nc(N)nc(C(F)(F)C(F)(F)F)n3)cc2)C1 1639318302 VQLMPIAIRUFKDI-LLVKDONJSA-N 445.396 2.422 10 10 IECE COc1cc(N2CCN(CCC(=O)NCc3cnc(C)s3)CC2)cc(OC)c1OC 1654081814 CEQYOSQJCVDBQI-UHFFFAOYSA-N 434.562 2.306 10 10 IECE CN(C)c1ccc(CNC(=O)CN2CCOC3(CCN(C(=O)OC(C)(C)C)CC3)C2)cc1 1654975958 YESXEHVMSONIQG-UHFFFAOYSA-N 446.592 2.471 10 10 IECE CC1(NC(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)CCC2(CC1)OCCO2 1676130343 FUKVFAQANAYHBA-UHFFFAOYSA-N 430.549 2.263 10 10 IECE C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)[C@@H](F)C2)n1CCCSc1nccs1 1723959635 DVCJATSQCDSSTJ-UPJWGTAASA-N 448.615 2.321 10 10 IECE COC[C@H]1CN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(N(C)C)c(F)c2)CCO1 1730605192 SXSWQKQAJZXPOY-ZWKOTPCHSA-N 433.528 2.277 10 10 IECE CC[C@@H](C)c1nnc(N(C)Cc2ccc(N3CCOCC3)cc2)n1C[C@@]1(O)CCN(C)C1 1752609376 MADKZKBMTHSSFN-NTKDMRAZSA-N 442.608 2.331 10 10 IECE COc1ccc(N2CCN(C(=O)[C@H]3CCN(S(=O)(=O)Cc4ccccc4)C3)CC2)cc1 1858409423 PTUNBCXZKWZHDX-FQEVSTJZSA-N 443.569 2.196 10 10 IECE CCN(CC)CCCNC(=O)C1=C(N)Oc2c(c(C)nn2CC)[C@H]1c1ccc(O)c(O)c1 1864010283 RGAFBMBOXPJMDB-LJQANCHMSA-N 443.548 2.165 10 10 IECE COCCn1c(C)c(C)c2cc(C(=O)NC[C@@H]3CCC[C@@]34NC(=O)N(C)C4=O)ccc21 674452999 HBKVVJDLJURIFV-GAJHUEQPSA-N 426.517 2.355 10 10 IECE COc1ccc(N2CCN(CN3C(=O)N[C@@]4(CC(C)(C)OC4(C)C)C3=O)CC2)cc1F 765082143 WQHADXBEMKRLEP-QFIPXVFZSA-N 434.512 2.182 10 10 IECE COc1ccc(N2CCN(CCNS(=O)(=O)Cc3c(F)cccc3F)CC2)cc1 766804917 AXVKWRVVVKMMSQ-UHFFFAOYSA-N 425.501 2.215 10 10 IECE COC(=O)c1cn([C@@H]2COC[C@H]2OC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)nn1 811177782 AOLLEXOISANQBL-WOJBJXKFSA-N 440.456 2.278 10 10 IECE COc1ccc(N2CCN(CCNS(=O)(=O)c3cnc(Cl)cc3Cl)CC2)cc1 1116469472 ABGPVRZTZKQXIA-UHFFFAOYSA-N 445.372 2.498 10 10 IECE CC(C)[C@H]1C[C@H](N2CCCC2)CN1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 1198620908 FVRGSOUZKJJYPC-NZQKXSOJSA-N 432.584 2.473 10 10 IECE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3cc(F)ccc3C)CC2)cc1 1278549195 NGKVPEUXTZBKIH-UHFFFAOYSA-N 435.521 2.025 10 10 IECE COC(=O)C[C@@H]1CN(c2nnc(CC(C)C)n2CCCSc2nccs2)C[C@H]1O 1315112428 QSZOBWIGWBPDAA-HUUCEWRRSA-N 439.607 2.476 10 10 IECE O=C(NCc1c(O)cccc1O)c1c[nH]c2ccc(I)cc2c1=O 1472063363 IVVFQKJGQQIOKD-UHFFFAOYSA-N 436.205 2.474 10 10 IECE CN(C)c1ccc([C@H](CNC(=O)NCCCN2C(=O)c3ccccc3C2=O)N(C)C)cc1 1478604209 XMWJZTWVHHPTRG-NRFANRHFSA-N 437.544 2.341 10 10 IECE CN(Cc1ccc(N2CCOCC2)cc1)c1nnc(C2CCC2)n1CC(=O)NCC(F)F 1503473155 INTMQICCPYGDPT-UHFFFAOYSA-N 448.518 2.400 10 10 IECE NC(=O)C1CCN(c2ccc(CNC(=O)CCc3nc(O)c4ccccc4n3)cc2)CC1 1538131629 FRRBQPVZTYYHLZ-UHFFFAOYSA-N 433.512 2.286 10 10 IECE CNC(=O)NC[C@H]1COCCN1C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 1564649693 KAHWPRKDUQQOOK-WBVHZDCISA-N 437.972 2.416 10 10 IECE COC(=O)[C@@H]1CSCCN1C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 1616515574 XZURAAYJSMBGOS-HNNXBMFYSA-N 440.433 2.101 10 10 IECE COc1ccc(N2CC[C@@H](NC(=O)c3nn(C)cc3I)C2)cc1 1617263483 XYOIAXNSDGFJQR-LLVKDONJSA-N 426.258 2.042 10 10 IECE NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3cc(Br)cc(N)c3N)cc2)C1 1626339029 MGUAIWKHLIFKGB-ZDUSSCGKSA-N 446.349 2.245 10 10 IECE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1Cl 1630180241 MGGUOWONXJQNHN-QRWLVFNGSA-N 444.963 2.436 10 10 IECE CCOCc1nnc(N2CCCN(c3ccc(OC)cc3)CC2)n1C[C@]1(C)CN(C)C1=O 1729056048 LKNOLOJJWLULEH-QHCPKHFHSA-N 442.564 2.018 10 10 IECE Cc1cc(N(C)C)ccc1Cn1c(-c2ccc[nH]2)nnc1N1CCC(OCC(N)=O)CC1 1761698523 XZHSCKKPFMEMBS-UHFFFAOYSA-N 437.548 2.167 10 10 IECE CC1=CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(N(C)C)c(F)c2)C1 1762153833 JXBNRICTWYJDRX-HNNXBMFYSA-N 436.557 2.298 10 10 IECE CC[C@H](C)c1nnc(N2CCN(c3ccc(OC)c(F)c3)CC2)n1Cc1ncn(C)n1 1763747243 DDCSXXAJXOINMP-HNNXBMFYSA-N 428.516 2.443 10 10 IECE CCOc1ccccc1OCC(=O)N[C@H](C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862170233 DOWJMIYDZJEGNX-GOSISDBHSA-N 441.528 2.326 10 10 IECE O=C(CN1C(=O)COc2ccccc2C1=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866040123 XINALZOANJWGLB-UHFFFAOYSA-N 440.411 2.462 10 10 IECE COc1ccc(N2CCN(C(=O)Cc3c(C)[nH]c4c5ccccc5nn4c3=O)CC2)cc1 1873831964 WJTREKFIZLUPKO-UHFFFAOYSA-N 431.496 2.384 10 10 IECE Cc1ccc(CN(C)C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)c(O)c1Br 2381134874 JGOUKSKFDUSJCC-LBPRGKRZSA-N 444.326 2.190 10 10 IECE Cc1cc(CCNC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c(C)n1-c1ccccc1 746106096 LHSYYJCGFHOYES-NKRQLCBBSA-N 435.524 2.304 10 10 IECE CN1CCCc2cc(CNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)ccc21 767355223 ZIXDISWTJGFBQF-KRWDZBQOSA-N 439.578 2.013 10 10 IECE Cc1cc(N2CCC[C@@H](NC(=O)NCc3ccc(N4CCC(CO)CC4)cc3)C2)n(C)n1 770259631 NGGGKGNGMZKVGI-OAQYLSRUSA-N 440.592 2.405 10 10 IECE Cn1cc([C@H](NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C(F)(F)F)cn1 772773342 HLLAMWXGDPWABU-PBHICJAKSA-N 438.454 2.225 10 10 IECE C[C@@H]1[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2O)CCCN1C(=O)OC(C)(C)C 779281296 MDJGZTLMLWSVLL-IUODEOHRSA-N 427.523 2.282 10 10 IECE C[C@H]1CN(C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)C[C@H](C)O1 919782926 PGUPHCODTPLAPD-IRXDYDNUSA-N 428.512 2.261 10 10 IECE CCN(CC)c1ccc(Cn2c(-c3ccc[nH]3)nnc2N2CCS(=O)(=O)CC2)cc1 1295415123 NOTYMIZYHPHNFP-UHFFFAOYSA-N 428.562 2.403 10 10 IECE Cn1ncc(C(F)(F)F)c1CNC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1470929809 YBPICZVPIMGTQA-UHFFFAOYSA-N 438.454 2.140 10 10 IECE COc1ccc(N2CC[C@@H](CNC(=O)NCCc3ccccc3S(C)(=O)=O)C2)cc1 1478859164 CKWKYLBACCISGX-KRWDZBQOSA-N 431.558 2.467 10 10 IECE CCN(CC)c1ccc(Cn2c([C@H]3CCOC3)nnc2N(C)C[C@H](C)C(=O)NC)cc1 1547447122 PCAGTCMCGVMEQQ-HKUYNNGSSA-N 428.581 2.495 10 10 IECE Cc1cc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)OC(C)(C)C)c(C)n1-c1ccccn1 1556996174 VJROQFKNRUBDET-QGZVFWFLSA-N 433.530 2.070 10 10 IECE CC(=O)c1cn(C2CN(C(=O)N[C@H]3CCCN(c4ccc(OC(F)F)cc4)C3)C2)nn1 1564200773 SVNKLCBMPVQTHH-AWEZNQCLSA-N 434.447 2.317 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CCC[C@@H]3[C@@H]3CCCOC3)CC2)cc1 1570675189 RSRBFLVSCAIYGV-VTXMGJMISA-N 427.545 2.318 10 10 IECE CCN1C(=O)c2ccc(C(=O)NC[C@@H]3CCN(c4ccc(OC)cc4)C3)cc2S1(=O)=O 1584441302 YDGSCWLBCFZVJX-HNNXBMFYSA-N 443.525 2.116 10 10 IECE COc1ccc(N(CCc2ccccc2)CC(=O)NC2CCN(S(C)(=O)=O)CC2)cc1 1644865515 AMNMCGYYIKUUFD-UHFFFAOYSA-N 445.585 2.285 10 10 IECE Cc1cc(C(=O)NCC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)ccc1[N+](=O)[O-] 1647082838 WGTMSAXBAIKJOH-FQEVSTJZSA-N 427.505 2.118 10 10 IECE O=C(CN1CCN(c2c(F)cccc2F)CC1)NCc1ccc(N2CCOCC2)c(F)c1 1654848586 ZSTPCZLXJNZOSO-UHFFFAOYSA-N 448.489 2.379 10 10 IECE CN1CCN(c2ccc(CNC(=O)N3CC4(C3)CN(C(=O)OC(C)(C)C)C4)cc2)CC1 1675585079 MBIOSIRQPSTFAZ-UHFFFAOYSA-N 429.565 2.201 10 10 IECE CN(C)c1ccc(Cn2c(CC3CCCC3)nnc2N2CCS(=O)(=O)CC2)cc1F 1696611207 WIWHEZZKOGWTLU-UHFFFAOYSA-N 435.569 2.499 10 10 IECE CCc1nnc(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)n1CCCSc1nccs1 1727600184 BFMUIIIQDNOHDI-HNNXBMFYSA-N 449.650 2.269 10 10 IECE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(N(C)C)cc2C)CCO1 1750018727 YMSSHHPVNGZFRB-FQEVSTJZSA-N 437.548 2.037 10 10 IECE COc1ccc(N2CCN(C(=O)CC[C@@]3(c4ccc(C)cc4)NC(=O)NC3=O)CC2)cc1 1858168833 CBRXWSJHYQSTFF-DEOSSOPVSA-N 436.512 2.167 10 10 IECE CCOc1cc(C=C2SC(=S)NC2=O)ccc1OC(=O)C[C@@H]1SC(=O)NC1=O 2314819170 UQBQIXRUYBQQKJ-LBPRGKRZSA-N 438.508 2.221 10 10 IECE CCCCOC[C@](CO)(N/C=C1\C(=O)NC(=O)N(c2ccccc2)C1=O)OCCCC 20028345 YGEQVLJUCTWZKT-OVWUPXBPSA-N 433.505 2.065 10 10 IECE CC(=O)N1N=C(c2c(O)[nH]c(=O)n(Cc3ccccc3)c2=O)C[C@H]1c1ccc(N(C)C)cc1 101764095 NTHQWKGUVVWIKN-FQEVSTJZSA-N 447.495 2.054 10 10 IECE COc1ccc(N2CCN(C(=O)COC(=O)c3csc(-c4ncccn4)n3)CC2)cc1 109132902 LYWXQECWKUMRGI-UHFFFAOYSA-N 439.497 2.114 10 10 IECE C[C@@H](C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1)n1nnnc1C(C)(C)C 758439893 AALOFEHXXCDVCR-KRWDZBQOSA-N 425.581 2.380 10 10 IECE Cc1cc(C(=O)COC(=O)C[C@@H]2NC(=O)NC2=O)c(C)n1-c1ccc(OC(F)F)cc1 779102866 CELLDNWONDTBRF-HNNXBMFYSA-N 435.383 2.020 10 10 IECE COc1cc(N2CCN(S(=O)(=O)c3cccc(N(C)C)c3)CC2)cc(OC)c1OC 788076513 NSIVXHBAKBZTLL-UHFFFAOYSA-N 435.546 2.289 10 10 IECE O=C(C1CC1)[C@@H]1CN(C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)CCO1 788205795 PNEDCZVNWXQIOY-INIZCTEOSA-N 436.511 2.075 10 10 IECE O=C(C1CC1)[C@H]1CN(C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)CCO1 788205796 PNEDCZVNWXQIOY-MRXNPFEDSA-N 436.511 2.075 10 10 IECE COc1ccc(N2CC[C@H](CNC(=O)c3ccc4c(c3)CCN4S(C)(=O)=O)C2)cc1 1130185792 RFJOGBFLMRZDGN-MRXNPFEDSA-N 429.542 2.274 10 10 IECE O=C(CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)NOCCN1CCCC1=O 1149451930 LAWTUIHDDDSSPA-QINSGFPZSA-N 437.518 2.087 10 10 IECE COc1ccc(N2CCN(Cc3c(I)cnn3C)CC2)c(OC)c1 1175524117 UDDXMOOZCWIWRV-UHFFFAOYSA-N 442.301 2.364 10 10 IECE COc1cc(N2CCN(C(=O)[C@](C)(OC)C(=O)OC(C)(C)C)CC2)cc(OC)c1OC 1267904945 DVRRXJPEYJMHAV-QFIPXVFZSA-N 438.521 2.108 10 10 IECE C[C@H](NC(=O)[C@]1(C)C[C@@H](O)CN1C(=O)OC(C)(C)C)c1ccc(N2CCOCC2)cc1 1464526898 FLJOSRPYHPUAOB-QUZZAMIASA-N 433.549 2.461 10 10 IECE CN(Cc1ccccc1O)c1nnc(C(=O)Nc2ccccn2)n1CC1(C(N)=O)CCCC1 1503487514 MZCUMSTXBVXQAY-UHFFFAOYSA-N 449.515 2.313 10 10 IECE Cn1ccnc1CN1CCC(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)CC1 1535345511 AVDIFIULLSHLQC-UHFFFAOYSA-N 433.503 2.063 10 10 IECE C[C@@H]1[C@H](NC(=O)CCN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)CCS1(=O)=O 1544019842 SMSLCXPFXHUCPX-KKYPHGRXSA-N 442.559 2.109 10 10 IECE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@H]3CCCC[C@H]3C3CC3)CC2)cc1 1586837196 VQFYYSWEDFIXTM-VXKWHMMOSA-N 449.617 2.480 10 10 IECE C[C@H](C(=O)NCc1c(O)ccc2c1CCCC2)N1CCN(C(=O)OC(C)(C)C)CC1=O 1595611213 BVRDKKPJVRPDOM-OAHLLOKOSA-N 431.533 2.355 10 10 IECE CC(=O)N1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(N(C)C)c(F)c2)CC1 1596228580 VIRUUJOTMNETIE-UHFFFAOYSA-N 437.523 2.186 10 10 IECE C[C@@H](Oc1cccc(/C=C2/SC(=S)N([C@H](CCC(=O)O)C(=O)O)C2=O)c1)C(=O)O 1614236812 RIQLOYXBQGLYQC-KCPZRQFNSA-N 439.467 2.058 10 10 IECE CN(CCN1CCCC1=O)C(=O)CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S 1617460952 JGJFZMHZRPICHX-SSZFMOIBSA-N 435.546 2.498 10 10 IECE Cc1cccc(OC[C@@H](O)CNC(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)c1 1635996611 HCPOAAHAUSJNPL-KRWDZBQOSA-N 435.471 2.349 10 10 IECE CN(C)c1ccc(CNC(=O)CN2C(=O)N[C@@]3(CCc4cc(Cl)ccc43)C2=O)cc1 1643805732 JUHQUAYMOCCLGG-JOCHJYFZSA-N 426.904 2.416 10 10 IECE O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N1CC[C@H](c2cc(O)n[nH]2)C1 1644260665 CRNJAXXLLZLKFW-NSHDSACASA-N 434.499 2.313 10 10 IECE CC[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1)OC 1694396533 GDCJLJZRNSABSX-VQTJNVASSA-N 442.564 2.127 10 10 IECE CC(=O)N1CCCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(N(C)C)cc2C)CC1 1741035093 WMSPJWNMQYKWCC-UHFFFAOYSA-N 436.564 2.160 10 10 IECE COC(=O)c1ccc(C=C2SC(=S)N(CCC(=O)N3CCC[C@@H]3C(=O)O)C2=O)cc1 2296881752 YXTKCVVGZNQLPQ-CQSZACIVSA-N 448.522 2.140 10 10 IECE O=C1Nc2ccccc2C1=C1SC(=S)N(NC(=O)c2ccc([N+](=O)[O-])cc2)C1=O 2297243976 URBHMOADDKLVKX-UHFFFAOYSA-N 426.435 2.463 10 10 IECE COc1ccc(N2CCN(C(=O)CN3C(=O)c4ccccc4N4C(=O)CC[C@@]34C)CC2)cc1 105968844 FVCKWCMFEDSLJY-VWLOTQADSA-N 448.523 2.343 10 10 IECE COC(=O)c1ccc(-n2c(C)cc(C(=O)CN(C)C[C@@H]3CCS(=O)(=O)C3)c2C)cc1 740889040 YTJQRPLPIGBUNZ-KRWDZBQOSA-N 432.542 2.430 10 10 IECE CC[C@H](CO)N1CCN([C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)CC1 744419839 SFCIHXRKSKHAGU-DLBZAZTESA-N 435.524 2.178 10 10 IECE C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)C(C)(C)c3cnn(C)c3)cc2F)C[C@@H](C)O1 752221095 RQKHNBJUQJIUSE-HZPDHXFCSA-N 446.523 2.310 10 10 IECE O=C(NCc1ccc(N2CCN(CC3CC3)CC2)cc1)N1CC[C@](O)(C(F)(F)F)C1 769056546 SSAYMGZBAZIZHP-HXUWFJFHSA-N 426.483 2.427 10 10 IECE Cc1cc(C[C@@H](C)NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n[nH]1 806460605 KYERTCTZJQRMRV-UKRRQHHQSA-N 435.475 2.152 10 10 IECE Cn1ccnc1[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1ccc(F)cc1F 1304757253 JDZVDRSKFPSNHH-KRWDZBQOSA-N 436.440 2.295 10 10 IECE COc1cc(OC)cc(C(=O)N2CCN(C(=O)c3ccc(N=NC(N)=O)cc3)CC2)c1 1441144473 FNMHRFKSYMGDKQ-UHFFFAOYSA-N 425.445 2.464 10 10 IECE NC(=O)N=Nc1ccc(C(=O)N2CCN([C@H](C(N)=O)c3ccc(Cl)cc3)CC2)cc1 1466291261 AYZSPTDUAUFUPJ-KRWDZBQOSA-N 428.880 2.487 10 10 IECE COc1ccc(N2CCCN(c3nnc(C)n3C[C@H]3CCCN3CCCO)CC2)cc1 1504292104 GPWOQPMKBGNNSV-OAQYLSRUSA-N 428.581 2.159 10 10 IECE CCc1nnc(N(C)Cc2ccc(N3CCOCC3)cc2)n1Cc1ccc(C)n(C)c1=O 1513790884 WBOPCLBIJMIVGJ-UHFFFAOYSA-N 436.560 2.369 10 10 IECE NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)Cc3ccccc3O[C@H]3CCOC3)cc2)C1 1527735286 PTZIMPBGSPTCGW-UNMCSNQZSA-N 437.540 2.415 10 10 IECE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@@H](C)c3cccc(F)c3)CC2)cc1 1527893149 YJSKJMFPJYKCRV-KRWDZBQOSA-N 449.548 2.206 10 10 IECE CC(C)CCN(C(=O)/C=C/c1cn(C)cn1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1529951817 VRKMNFLRBGPGLR-MDZDMXLPSA-N 436.516 2.405 10 10 IECE CN(CCN1CCOC(C)(C)C1)C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 1564895764 UAZJEQIJDALKCW-UHFFFAOYSA-N 426.508 2.054 10 10 IECE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)C3CCC(C4CC4)CC3)CC2)cc1 1586836050 MCTSCYGTCSXXHC-UHFFFAOYSA-N 449.617 2.480 10 10 IECE CN(Cc1ccccc1O)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(O)CCSC1 1617937720 QINCOHQFTMGVDV-OAQYLSRUSA-N 440.529 2.135 10 10 IECE CNC(=O)[C@H](C)CN(C)c1nnc([C@@H]2CCOC2)n1Cc1ccc2c(c1)CCCN2C 1618557873 XQEMJDHFKUFQAC-VQIMIIECSA-N 426.565 2.031 10 10 IECE COCc1cc(O)ccc1NC(=O)/C=C/C(=O)N1CCN(c2ccc(OC)cc2)CC1 1626258572 OJXPHJMRATWISZ-MDZDMXLPSA-N 425.485 2.391 10 10 IECE Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N[C@H]2CCC[C@H]2CNS(C)(=O)=O)cc1 1633669744 LUGOFFCJZBBBHD-RXVVDRJESA-N 431.558 2.283 10 10 IECE COC(=O)C1(O)CCN(C(=O)c2cc(C)n(-c3ccc(Br)cn3)c2C)CC1 1636452534 NEYLYVRDXIBYJE-UHFFFAOYSA-N 436.306 2.392 10 10 IECE COc1ccc(N2CCN(C[C@H](O)CN3CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C3)CC2)cc1 1643864243 LHCVAFDQEBNYRN-IEIRFRATSA-N 447.620 2.478 10 10 IECE CN(C)c1ccc([C@H](CNC(=O)c2ccc(F)c(S(=O)(=O)NC3CC3)c2)N(C)C)cc1 1647080028 BQQHZGPDZAONCF-FQEVSTJZSA-N 448.564 2.365 10 10 IECE CC[C@@](C)(NC(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1)C1CC1 1686987190 RPGPWDIQOKLNAL-OAQYLSRUSA-N 438.594 2.025 10 10 IECE CCCN1C(=O)/C(=C\c2c(N3CCN(CC)CC3)nc3ccccn3c2=O)SC1=S 33579203 MHLRALGXAOLCLQ-JQIJEIRASA-N 443.598 2.448 10 10 IECE CC[C@@H](C)N1C(=O)/C(=C\c2c(NCCOCCO)nc3ccccn3c2=O)SC1=S 33919664 YGKIEHRGXAWUEV-MLJWKTOOSA-N 448.570 2.115 10 10 IECE CN1CCCc2cc(CNC(=O)CNC(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)ccc21 755196494 VTFPMDCOLLKTKT-IBGZPJMESA-N 430.549 2.201 10 10 IECE COc1ccc(N2CCN(C(=O)Cc3noc(Cn4c(O)nc5ccccc54)n3)CC2)cc1 771066900 LZOHJLZLDRWQFC-UHFFFAOYSA-N 448.483 2.073 10 10 IECE C[C@@H](OC(=O)[C@@]1(C)CCC(=O)NC1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 798777070 DIPSUMHAYKGJEI-OZAJXLCCSA-N 434.448 2.249 10 10 IECE COCCn1cc(C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)c(=O)cc1C 807183563 FJESNPFUBNPOFX-UHFFFAOYSA-N 438.572 2.265 10 10 IECE O=C(NCCCN1CCCC1=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 915879941 LJONRPAPQLYELM-UHFFFAOYSA-N 428.455 2.354 10 10 IECE CCC(=O)c1ccc(OCC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1 918335024 KCJCFGUNXQLDCC-UHFFFAOYSA-N 430.526 2.209 10 10 IECE NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)CN3CC[C@@H](c4ccccc4)NC3=O)cc2)C1 1136340246 JHGFOWJGESOYRP-UNMCSNQZSA-N 449.555 2.161 10 10 IECE CCOC(=O)CN(Cc1ccccc1O)C(=O)/C=C\C(=O)NCc1ccc(OC)cc1 1162539615 IVNPCYCOLKWWGW-SEYXRHQNSA-N 426.469 2.165 10 10 IECE COc1ccc(N2CCN([C@@H](C)C(=O)Nc3ccccc3S(C)(=O)=O)CC2)c(OC)c1 1175512029 FPRAJWQMKVGZOD-INIZCTEOSA-N 447.557 2.257 10 10 IECE C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)N(Cc2ccco2)Cc2ccccc2O)cc1 1294674203 MNBAEHRFMUYHEB-MRXNPFEDSA-N 444.509 2.487 10 10 IECE CC(C)(C)OC(=O)N1CC([C@@H](F)C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)C1 1303720774 KWDHHHKFNLOVGN-LJQANCHMSA-N 448.539 2.210 10 10 IECE C[C@H]1CO[C@H](C(F)(F)F)CN1C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1313305132 OKXSRHOLNQSCOU-GUYCJALGSA-N 428.455 2.250 10 10 IECE CN(Cc1ccccc1O)c1nnc(-c2cccn2C)n1C[C@@H]1CCCS(=O)(=O)C1 1314749531 DFZPKXZORLBCCY-INIZCTEOSA-N 429.546 2.450 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N[C@H]3CCOCC34CCCC4)CC2)cc1 1457243335 IPTVHZBJKONGMO-GEPASTNRSA-N 427.545 2.366 10 10 IECE CNC(=O)[C@H]1CCCN(C(=O)CCN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)C1 1465065910 ZZUQQXKKTHHLPT-LUYJPIOASA-N 435.546 2.402 10 10 IECE 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CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1 1536925101 QGGIWZFHBUBUBA-GOSISDBHSA-N 444.601 2.445 10 10 IECE O=C(CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)NC[C@@H]1C[C@@H]2COC[C@@H]2O1 1537717508 IOHRBBDRXAFKQS-FPURWSEKSA-N 436.530 2.337 10 10 IECE COc1ccc(N2CC[C@H](CNC(=O)C3(O)CN(C(=O)OCc4ccccc4)C3)C2)cc1 1557133589 QHRVWWUGFQFNRB-LJQANCHMSA-N 439.512 2.021 10 10 IECE COC(=O)[C@@H]1CN(CC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)C[C@H]1C1CC1 1559951667 DNPWANMXOHJQPV-CPLUKWAASA-N 447.551 2.187 10 10 IECE CS(=O)(=O)C[C@H](C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1)c1ccccc1 1570168218 VBQXHBQRTBVXBI-KRWDZBQOSA-N 438.496 2.246 10 10 IECE O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H](O)[C@H](O)c1nc2ccccc2[nH]1 1587151609 WDWIRYVIMZLEEJ-VMDGZTHMSA-N 446.454 2.344 10 10 IECE CN1CCN(c2ccc(CNC(=O)c3cc(NC(=O)OC(C)(C)C)nn3C)cc2)CC1 1589195597 VPXZABDJOXGISP-UHFFFAOYSA-N 428.537 2.449 10 10 IECE CN(C)C(=O)OCCNC(=O)CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S 1644630404 NSFHIKVWVYFCCQ-KAMYIIQDSA-N 425.507 2.231 10 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CC[C@H]1CN(C(=O)NCc2ccc(N3CCN(CC)CC3)c(F)c2)C[C@]2(CCOC2)O1 792992486 JTWSQCDGJAOIKD-CVDCTZTESA-N 434.556 2.447 10 10 IECE O=C(COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)NC1CCN(C2CC2)CC1 822938602 URHLMANUZGFELE-UHFFFAOYSA-N 432.476 2.362 10 10 IECE NS(=O)(=O)c1cc(C(=O)NCc2cc(Br)ccc2O)cc2c1CCC2 1117307686 GOEPNSDJRPMPSB-UHFFFAOYSA-N 425.304 2.221 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NCc3nc(-c4ccccc4)no3)CC2)cc1 1153931481 RILXNOSXVOPGOT-VAWYXSNFSA-N 447.495 2.266 10 10 IECE CC(C)c1nnc(NC(=O)CCC(=O)NCc2ccc(N3CCN(C)CC3)cc2)s1 1455226936 SVPYDEXTPNNICU-UHFFFAOYSA-N 430.578 2.448 10 10 IECE C[C@H]1CN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCN1Cc1ccccc1 1473546405 OUTXJVXCRVQRCU-FQEVSTJZSA-N 440.563 2.485 10 10 IECE CN(Cc1ccccc1O)c1nnc(Cc2ccccn2)n1CC(=O)NCC(F)(F)F 1503488197 RFPGAHOOOFCOJT-UHFFFAOYSA-N 434.422 2.284 10 10 IECE CN(Cc1ccccc1O)c1nnc(-c2cnn(C)c2)n1CCCCN1CCC[C@H]1CO 1517147164 KOPCIPXEVZECGL-FQEVSTJZSA-N 439.564 2.258 10 10 IECE COc1ccc(N2CCN(CCCNC(=O)c3cn(CCc4ccccc4)nn3)CC2)cc1 1531524351 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CCCNC(=O)[C@H]1CCCN(c2nnc(CC)n2Cc2ccc(N3CCOCC3)cc2)C1 1764515016 JLINHKLMAGQVIC-FQEVSTJZSA-N 440.592 2.468 10 10 IECE CNC(=O)CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC(=O)N(C)C[C@H]1C 1767788634 PMOKVDLHQMOOTO-QGZVFWFLSA-N 449.559 2.156 10 10 IECE CCn1c(N2CCCC2)c(/C=C2\SC(=S)N(CCC(=O)O)C2=O)c(C)c(C#N)c1=O 39989657 IUEKVCQUBAHQKM-GDNBJRDFSA-N 446.554 2.324 10 10 IECE COc1ccc(N2CCN(C(=O)C3CCN(c4cc(-n5ccnc5)ncn4)CC3)CC2)cc1 70883379 BEQBFWMQFOGLMC-UHFFFAOYSA-N 447.543 2.236 10 10 IECE O=S(=O)(NCc1ccc(N2CCN(CC3CC3)CC2)cc1)c1cn2c(n1)CCCC2 779920747 NSVMHMWEAHGQPN-UHFFFAOYSA-N 429.590 2.230 10 10 IECE O=C(NCc1ccc(N2CCOCC2)cc1)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O 790241539 XYLJOWFNQAQEQL-OAQYLSRUSA-N 426.492 2.263 10 10 IECE CNS(=O)(=O)c1cc(NS(=O)(=O)/C=C\c2cccc(Br)c2)ccc1O 790406828 HZMAUBPSKBSEGD-FPLPWBNLSA-N 447.332 2.475 10 10 IECE COC(=O)/C=C\c1ccc(N2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)c([N+](=O)[O-])c1 931390785 ZKTZGVPIZQBJFI-DIWYCERUSA-N 444.532 2.408 10 10 IECE CCc1ccccc1-n1cc(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)nn1 1125258134 USZNVLLXZNBFJO-LJQANCHMSA-N 432.528 2.461 10 10 IECE O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1ccc(CNC(=O)C(F)(F)F)o1 1148706512 YADBVAJDWYHPKC-UHFFFAOYSA-N 425.407 2.349 10 10 IECE O=C(CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)NOCCN1CCCC1=O 1149451929 LAWTUIHDDDSSPA-NTCAYCPXSA-N 437.518 2.087 10 10 IECE COC(=O)[C@]1(OC)CCN([C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C1 1196239144 XXKYXNKVFPFUEG-SHACYNPGSA-N 436.464 2.053 10 10 IECE CS(C)(=O)=Nc1ccccc1C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1278765090 FRJZTWFCYRJZJL-UHFFFAOYSA-N 435.571 2.211 10 10 IECE CN1CCN(c2ccc(CNC(=O)N(C)[C@H]3CCN(Cc4ccccc4)C3=O)cc2)CC1 1313211987 LZXJJSOFSHZTBK-QHCPKHFHSA-N 435.572 2.381 10 10 IECE CO[C@@]1(C)CCCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(N(C)C)c(F)c2)C1 1315246511 HCYOJXUGBCDEQC-JTSKRJEESA-N 430.528 2.488 10 10 IECE COc1ccc(N2CCN(C(=O)c3ccc(S(=O)(=O)NC(C)C)cc3)CC2)c(OC)c1 1438186535 KUNSTKZGZLMEOS-UHFFFAOYSA-N 447.557 2.353 10 10 IECE C[C@H](NC(=O)[C@@]1(C)C[C@H](O)CN1C(=O)OC(C)(C)C)c1ccc(N2CCOCC2)cc1 1464526886 FLJOSRPYHPUAOB-BTCOZLQPSA-N 433.549 2.461 10 10 IECE COCC1(N(C)C(=O)c2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2O)CC1 1470015245 FQNZLNMOBQVCRC-UHFFFAOYSA-N 435.458 2.352 10 10 IECE CCN(C)C(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc(N2CCCC2)cc1 1501413563 IYIMAHWHVVOOGD-UHFFFAOYSA-N 436.564 2.394 10 10 IECE CN(C)C(=O)Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccc(N2CCCC2)cc1 1503375053 VUSRZONAUHCIMU-LJQANCHMSA-N 426.565 2.497 10 10 IECE COCC1=CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(N(C)C)c(F)c2)CC1 1518825306 IGFMPCXNVMAFHJ-UHFFFAOYSA-N 442.539 2.437 10 10 IECE NC(=O)C1CCN(c2ccc(CNC(=O)C3([C@@H]4CCCCO4)CCOCC3)cc2)CC1 1538138770 YJAVRIPKYGGQDY-NRFANRHFSA-N 429.561 2.370 10 10 IECE Cc1nc(O)nc(O)c1CC(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 1618253015 IFZSLFBYRFBIRJ-KRWDZBQOSA-N 445.520 2.187 10 10 IECE CN(C)c1ccc([C@H](CNC(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)N(C)C)cc1 1637004925 WDEYXURQFFYXMY-UXHICEINSA-N 434.581 2.498 10 10 IECE C[C@H]1CN(c2ccc(CNC(=O)Cn3c4ccccc4c(=O)n3C)cc2F)C[C@@H](C)O1 1654523967 OVGJWQUDYDJQNZ-IYBDPMFKSA-N 426.492 2.409 10 10 IECE O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@@H]1CS(=O)(=O)Cc2ccccc21 1674638064 RYRTWBOSOTVBTD-OAQYLSRUSA-N 429.542 2.117 10 10 IECE COc1ccc(N2CCN(C(=O)NCCc3ccccc3S(C)(=O)=O)CC2)c(OC)c1 1685196666 XVYNMJCLLMHTIR-UHFFFAOYSA-N 447.557 2.182 10 10 IECE CN(C)c1ccc([C@H](CNC(=O)N(C)[C@@H]2CCN(CC(F)(F)F)C2=O)N(C)C)cc1 1685681536 IAUFFUWDJIKQCF-SJORKVTESA-N 429.487 2.160 10 10 IECE CCc1nnc(N2CCC(C(=O)NC)CC2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1694666926 KCDAUXLKHAUUFG-UHFFFAOYSA-N 440.592 2.060 10 10 IECE CCC(CC)NC(=O)c1nnc(N(C)Cc2ccccc2O)n1CC[C@@H]1COCCO1 1708706385 GWVHVAQAIHCRKK-GOSISDBHSA-N 431.537 2.344 10 10 IECE CC[C@@](C)(O)Cn1c(C(=O)NC(C)C)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1726800197 PTBQTFKROFCQKP-HSZRJFAPSA-N 444.580 2.303 10 10 IECE CN(Cc1ccccc1O)c1nnc([C@H]2CCCCO2)n1CCCn1cc(CO)nn1 1768681852 OKRBORHXEHOKAW-LJQANCHMSA-N 427.509 2.036 10 10 IECE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN(c4ccc(-n5ccnc5)nn4)C3)CC2)cc1 62164548 RCSZWRFFBFHXML-LJQANCHMSA-N 447.543 2.236 10 10 IECE COc1cc([C@H](O)CNCCCCCCNC[C@@H](O)c2ccc(O)c(O)c2)ccc1O 201153792 JROQMFXAAYTLIH-FGZHOGPDSA-N 434.533 2.319 10 10 IECE COc1ccc(N2CCN(CCNC(=O)Nc3ccc(F)c(C(=O)N(C)C)c3)CC2)cc1 752718505 CRSCQHPSCXLDCU-UHFFFAOYSA-N 443.523 2.480 10 10 IECE COC(=O)c1ccc(O)c([C@@H](C)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)c1 756402514 SVEPNOZQBMBBBM-CYBMUJFWSA-N 440.543 2.112 10 10 IECE COC(=O)c1coc(C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c1 758996164 FGTHTIABPDXIOP-UHFFFAOYSA-N 439.447 2.252 10 10 IECE COc1ccc(N2CCN(C[C@H](O)CN3CCC[C@@H]3[C@@H]3C[C@@H](C)CC[C@H]3O)CC2)cc1 799187479 UJCDYMBUUFIIQX-CWWPHLFMSA-N 431.621 2.440 10 10 IECE CCS(=O)(=O)c1ccc(F)c(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)c1 1133626242 BXMRMOQEGMLGFY-UHFFFAOYSA-N 447.532 2.251 10 10 IECE CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1 1136340126 FLNNWHIGBCMTIO-KZNAEPCWSA-N 430.549 2.308 10 10 IECE 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COc1ccc(N2CC[C@@H](NC(=O)NC3CCN(S(=O)(=O)C(C)(C)C)CC3)C2)cc1 1234054365 QWLOUJPSYUPTNH-QGZVFWFLSA-N 438.594 2.166 10 10 IECE CCN(CC)S(=O)(=O)c1cc(C(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)n(C)c1 1276832656 YIXCZDPUNKHXBW-QGZVFWFLSA-N 448.589 2.321 10 10 IECE CCO[C@]1(c2nnc(N(C)[C@H](C)CC(N)=O)n2Cc2ccc(N(C)C)cc2C)CCOC1 1296521952 ORTDLZBSNVNUAL-UZUQRXQVSA-N 444.580 2.053 10 10 IECE NC(=O)C[C@H](NC(=O)c1ccccc1F)C(=O)NCc1cc(Cl)cc(Cl)c1O 1450722037 PIMDEKGLJLBZRM-AWEZNQCLSA-N 428.247 2.128 10 10 IECE Cc1cc(N(C)C)ccc1Cn1c(Cc2ccncc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1510672331 HZGYQWVPKPAZHS-GOSISDBHSA-N 433.560 2.354 10 10 IECE CCN(CC)c1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@H](C(=O)OC)C2)cc1 1515524635 GPTXALGNURPAFD-HKUYNNGSSA-N 440.548 2.123 10 10 IECE CC(=O)N(CCC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1)Cc1ccccc1 1537839345 KCRBBPKGBUDLTA-UHFFFAOYSA-N 436.556 2.443 10 10 IECE COc1ccc(N2CCN(C(=O)CCOc3ccc(S(C)(=O)=O)cc3)CC2)c(OC)c1 1543633268 XJOFCINCIINJCL-UHFFFAOYSA-N 448.541 2.225 10 10 IECE 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CC(C)NC(=O)Cn1c(N(C)Cc2ccccc2O)nnc1[C@]1(OC(C)C)CCOC1 1288247523 ASPFPSGLLRUDGR-QFIPXVFZSA-N 431.537 2.185 10 10 IECE C[C@@H]1CS(=O)(=O)CCCN1C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 1439572172 RBOANNFRGKSLSD-GFCCVEGCSA-N 442.449 2.019 10 10 IECE CCOc1ccc(N2CCN(C(=O)c3cn(CCNC(=O)OC(C)(C)C)nn3)CC2)cc1 1446418930 KVFJOYTWSMSSEY-UHFFFAOYSA-N 444.536 2.164 10 10 IECE Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CCN(S(=O)(=O)C3CC3)CC2)cc1 1470192682 DWJJMBUXGSZTHJ-UHFFFAOYSA-N 429.542 2.086 10 10 IECE C[C@H]1CN(c2ccc(CNC(=O)CN[C@](C)(CO)c3cccc(O)c3)cc2F)C[C@@H](C)O1 1473514707 RPYZLDXCEPEBJV-XVTZWQNCSA-N 445.535 2.258 10 10 IECE CCN(CC)c1ccc(Cn2c(-c3cnccn3)nnc2N(C)C[C@@H](C)C(=O)NC)cc1 1501837200 CIRYKOWBDUDYKU-QGZVFWFLSA-N 436.564 2.448 10 10 IECE Cc1cc(N(C)C)ccc1Cn1c(C2CC2)nnc1N1CCC(NS(C)(=O)=O)CC1 1510673258 LUQSYDPJASIFJN-UHFFFAOYSA-N 432.594 2.096 10 10 IECE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC=CCC2)n1Cc1ccc2c(c1)CCCN2C 1541920768 DCURIBSPGLBDCM-MRXNPFEDSA-N 430.578 2.085 10 10 IECE 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COc1ccc(N2CC[C@H](CNC(=O)[C@H](O)[C@H](O)c3nc4ccccc4s3)C2)cc1 1557133128 AETGPMAFTCGCGW-XMCHAPAWSA-N 427.526 2.342 10 10 IECE C[C@H]1CN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C[C@H](CC(F)(F)F)O1 1565045061 ZFAKLPMMWCYDRT-YOEHRIQHSA-N 449.495 2.173 10 10 IECE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(F)cc(Br)c1N 1567306584 UGSOWPYYPXNLNR-ZDUSSCGKSA-N 441.253 2.486 10 10 IECE Cc1nc2c(c(O)nn2C)c(C)c1CC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 1570168030 GLYKIYIQIIMGRU-UHFFFAOYSA-N 445.470 2.264 10 10 IECE CC(C)NC(=O)CN(C)c1nnc(-c2cnccn2)n1CCCSc1nccs1 1609958291 RXORSXPJBGTBOP-UHFFFAOYSA-N 432.579 2.335 10 10 IECE C[C@H](CN1CCOCC1)Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccccc1O 1611622132 XYAMLAAOQKXAHA-QUCCMNQESA-N 429.565 2.482 10 10 IECE CCOCc1nnc(N2CCCN(c3ccc(OC)cc3)CC2)n1C[C@]1(O)CCO[C@@H]1C 1616884837 TXPXXZIKFRYUQE-WZONZLPQSA-N 445.564 2.080 10 10 IECE C[C@@H]1CN(c2ccc(CNC(=O)CN3CC[C@](CO)(C(F)(F)F)C3)cc2F)C[C@@H](C)O1 1620566330 RKOQKKWMPYUNLY-SXGZJXTBSA-N 447.473 2.302 10 10 IECE Nc1ncnc2c1ncn2CCCCC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 1628686677 ATJJUUOVUUMTBB-UHFFFAOYSA-N 437.548 2.104 10 10 IECE Cc1cc(C(=O)NC2(CS(C)(=O)=O)COC2)c(C)n1-c1cccc(Br)c1 1631335165 AJGUZNACSQVPRS-UHFFFAOYSA-N 441.347 2.400 10 10 IECE CC[C@H](NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1nnc2n1CCCCC2 1654229804 WAFRTZNVVNUTHC-IBGZPJMESA-N 444.555 2.337 10 10 IECE NC(=O)C1CCN(c2ccc(CNC(=O)N3CC[C@@](CO)(c4ccccc4)C3)cc2)CC1 1676126016 MRQDOJQPPRILPF-RUZDIDTESA-N 436.556 2.234 10 10 IECE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N[C@@H]1CCOc2ccc(F)cc21 1681614197 AUQNOBCXUVLYSY-LJQANCHMSA-N 433.505 2.384 10 10 IECE Cc1csc(C[C@H]2CCN(C(=O)NCc3ccc(N4CCS(=O)(=O)CC4)cc3)C2)n1 1687007062 WAZOGYZMCKEWMH-GOSISDBHSA-N 448.614 2.461 10 10 IECE Cc1cc(-c2nc(CN3C(=O)NC(C)(C)C3=O)no2)ccc1NC(=O)C1=S=CC=C1 460819114 ZIQGPFXTMGSQRS-UHFFFAOYSA-N 425.470 2.092 10 10 IECE CN(C)C[C@@H]1CCCN1C(=O)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O 769751978 GHUVWTYGVVQPKH-INIZCTEOSA-N 448.501 2.267 10 10 IECE O=C(NCc1ccc(N2CCOCC2)c(F)c1)NCc1ncn(Cc2cccc(F)c2)n1 780313039 URHGJWZJCARSEO-UHFFFAOYSA-N 442.470 2.441 10 10 IECE C[C@H](NC(=O)NCc1cc(Br)ccc1O)c1cccc(S(N)(=O)=O)c1 804866834 XKUQLAUNRZOMDB-JTQLQIEISA-N 428.308 2.363 10 10 IECE Cc1cc(CCNC(=O)N2CCCN(S(=O)(=O)N(C)C)CC2)c(C)n1-c1ccccc1 811994350 CYNPESLYMSOLMV-UHFFFAOYSA-N 447.605 2.160 10 10 IECE Cc1ccc(C(=O)NCCS(=O)(=O)N=S(C)(C)=O)cc1-n1c(C)cc(C=O)c1C 1155727258 YQQSMXWKTBOJJB-UHFFFAOYSA-N 439.559 2.002 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NC[C@H]3CCN(C(C)(C)C)C3)CC2)cc1 1166484877 VFNQVPGCXKUPNZ-JBVUFVISSA-N 428.577 2.137 10 10 IECE CCOc1ccc(N2CCN(C[C@@H](O)C3(S(=O)(=O)NC(C)(C)C)CCC3)CC2)cc1 1168331643 MVTOQZXRAXDIRH-HXUWFJFHSA-N 439.622 2.209 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CCC[C@@H]3[C@@H]3CCC[C@H]3O)CC2)cc1 1298263033 IGUGWZRPEVLZSK-ALABDCBBSA-N 427.545 2.052 10 10 IECE Cn1nccc1[C@@H](O)C1CCN(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)CC1 1312834307 WROWXZSBQMXAQA-NRFANRHFSA-N 449.502 2.190 10 10 IECE COc1ccc(CN2CC[C@@H](NC(=O)c3ccc(N=NC(N)=O)cc3)C2=O)c(OC)c1 1467853456 ZMYCKJGFHIRRBU-QGZVFWFLSA-N 425.445 2.397 10 10 IECE C[C@@H]1CN(CCCNC(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)CCCO1 1469783317 QNPOLWZQORGNSH-MRXNPFEDSA-N 426.508 2.102 10 10 IECE O=C(NCCN1CCC2(C1)OCCO2)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 1471408643 AZBVDJWPGDWVJL-INIZCTEOSA-N 440.491 2.005 10 10 IECE COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1ccc(-n2nnnc2C)cc1F 1546152288 ZOQMMHWRUOXMNM-UHFFFAOYSA-N 433.827 2.284 10 10 IECE COC1(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)Cc2ccccc2O)CCC1 1554708151 SMNXAHQEFBEAHI-HNNXBMFYSA-N 437.566 2.190 10 10 IECE COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H]4CN(C(=O)C(F)(F)F)C[C@H]4C3)C2)cc1 1565055750 JTMJNUCBGMKBKG-OAGGEKHMSA-N 440.466 2.326 10 10 IECE NS(=O)(=O)c1ccsc1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 1566357138 XKGBVYIKBOEHNJ-CYBMUJFWSA-N 429.951 2.149 10 10 IECE CCOC(=O)CN(Cc1ccccc1O)C(=O)c1ccc(S(=O)(=O)NC(C)(C)C)o1 1570514633 JQOGBOQHCUVIAD-UHFFFAOYSA-N 438.502 2.268 10 10 IECE CCc1nnc(N2CCN(c3ccc(OC)c(F)c3)CC2)n1C[C@H]1CCOC[C@@H]1OC 1709139314 MITLKAWAXJZEKJ-UZLBHIALSA-N 433.528 2.366 10 10 IECE CCCCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCOCC2)cc1 1728030065 CROKUQKQGMPQHC-IBGZPJMESA-N 447.605 2.301 10 10 IECE COc1ccc(N2CCN(C(=O)CC[C@]3(c4ccc(C)cc4)NC(=O)NC3=O)CC2)cc1 1858168834 CBRXWSJHYQSTFF-XMMPIXPASA-N 436.512 2.167 10 10 IECE CCC[C@@H](NC(=O)c1cccn(CC)c1=O)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862014690 BLLQVFAGHHTFDY-OAQYLSRUSA-N 440.544 2.124 10 10 IECE CCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cccc(O)c2)[nH]1 1871713660 HTLTVLHOCXHSAZ-UHFFFAOYSA-N 435.532 2.322 10 10 IECE O=C(O)CCN1C(=O)C(=Cc2c(N3CCCCC3)nc3ccccn3c2=O)SC1=S 2296698766 PINJUEZXLSJKEQ-UHFFFAOYSA-N 444.538 2.361 10 10 IECE COc1cc(CCN(C)C)c(C(=O)C(=O)c2ccc3c(c2C(=O)O)OCO3)cc1OC 13376848 QJZWHANCKCLYPJ-UHFFFAOYSA-N 429.425 2.300 10 10 IECE biogenic Cc1nn(C)cc1CN1CCN(C2=NC(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)S2)CC1 101569911 NOHCUKXDZMSVEG-WOJGMQOQSA-N 426.502 2.425 10 10 IECE CCN1CCN(CC(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)CC1 746318688 ZDZHTGBITOMTSL-FQEVSTJZSA-N 433.597 2.072 10 10 IECE CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2cc(I)ccc2O)c1 748308908 CRTXCSVDFHYXHM-UHFFFAOYSA-N 448.238 2.326 10 10 IECE COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 772904177 RTYMTDQSEYBQJM-FGZHOGPDSA-N 449.617 2.370 10 10 IECE Cc1cc(C)c(CNC(=O)C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(O)n1 774126578 JOFGVOKRARWBEI-OAHLLOKOSA-N 448.470 2.407 10 10 IECE C[C@@H]1C[C@]2(CCO1)CN(C(=O)NCc1ccc(N3CCC[C@H](C(N)=O)C3)cc1)C[C@@H](C)O2 797435218 NCTJUHIFDLTFOY-NYCQLSGJSA-N 444.576 2.256 10 10 IECE COC(=O)c1ccc(CNC(=O)/C=C\C(=O)N2CCN(c3ccc(OC)cc3)CC2)s1 1162394307 SSXWFPMXCCEZFA-KTKRTIGZSA-N 443.525 2.065 10 10 IECE C[C@H](NC(=O)[C@@H](CCC(N)=O)NC(=O)OCc1ccccc1)c1ccc(N(C)C)cc1 1183225821 BROPPWPWHFBHPU-OXJNMPFZSA-N 426.517 2.490 10 10 IECE COc1ccnc(N2CCN(C(=O)NCc3cc(F)c(N4CCOCC4)c(F)c3)CC2)c1 1251750721 KYLPJPZNUQRTEO-UHFFFAOYSA-N 447.486 2.237 10 10 IECE COc1ccc(N2CC[C@@H](CNC(=O)c3cn(CCNC(=O)OC(C)(C)C)nn3)C2)cc1 1276831670 BJNDUQGAMMPKOZ-INIZCTEOSA-N 444.536 2.068 10 10 IECE COc1ccc(N2CCN(c3nnc(C4CC4)n3CCNC(=O)C(C)C)CC2)cc1F 1300247124 KTEHRNPWSAPCEB-UHFFFAOYSA-N 430.528 2.402 10 10 IECE COCCn1cc(Cn2c([C@H]3CCCOC3)nnc2N(C)Cc2ccccc2O)cn1 1301852369 QYCCAPSRGYYBFV-IBGZPJMESA-N 426.521 2.405 10 10 IECE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 1325763789 QCYQNVSHFSKQJN-FXAWDEMLSA-N 442.468 2.120 10 10 IECE COc1ccc(N2CCN(C(=O)c3ccc4nc(O)n(CCN(C)C)c4c3)CC2)cc1F 1465930600 YHUDCQVLAQSQEZ-UHFFFAOYSA-N 441.507 2.414 10 10 IECE CCc1nnc(N2CCC[C@@H](C(=O)OC)C2)n1Cc1ccc(N2CCOCC2)c(F)c1 1499029001 GUFLNYCDWTXRRX-QGZVFWFLSA-N 431.512 2.254 10 10 IECE CCOCc1nnc(N2CC[C@](C)(N3CCOCC3)C2)n1Cc1ccc(N(C)C)c(F)c1 1516502861 PLEQNAWALWIEJO-QHCPKHFHSA-N 446.571 2.369 10 10 IECE Cc1nc(Cc2nnc(N3CCN(C)C(=O)C3)n2Cc2ccc(N(C)C)c(F)c2)cs1 1542923383 SXWUFFMEXOQDCJ-UHFFFAOYSA-N 443.552 2.166 10 10 IECE Cn1cc(C[C@H]2CCC[C@H]2NC(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)cn1 1565090917 CFVMWYUSDACTLW-IFMALSPDSA-N 438.576 2.332 10 10 IECE CS(=O)(=O)N1CCC(CC(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CC1 1595583944 KKXSICSNYQLRLM-GOSISDBHSA-N 443.997 2.188 10 10 IECE CN(Cc1ccccc1O)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOCC(F)F 1617939930 JZEQTDKHJULOQF-HNNXBMFYSA-N 444.504 2.194 10 10 IECE CCOC(=O)c1cnn2c(O)cc(CN3CC(O)(c4cccc(Br)c4)C3)nc12 1620457195 PQKNITHVJSMNCU-UHFFFAOYSA-N 447.289 2.078 10 10 IECE COCc1ccc([C@H]2COCCN2CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)o1 1648385689 SKMCOSIWNYVOBR-OAQYLSRUSA-N 447.507 2.091 10 10 IECE CCOC(=O)CN(Cc1nc(O)c2ccc(C(=O)OC)cc2n1)Cc1ccccc1O 1653969772 JBRRHIRWHYNQFZ-UHFFFAOYSA-N 425.441 2.393 10 10 IECE COc1ccc(N2CCN(C(=O)N[C@@H]3CS(=O)(=O)Cc4ccccc43)CC2)c(OC)c1 1674637832 PBRLSYPPCKZQHD-LJQANCHMSA-N 445.541 2.205 10 10 IECE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N1CCCC[C@@H]([C@@H]2CCOC2)C1 1682594969 IBLWWNYOMGTPHT-WOJBJXKFSA-N 435.590 2.270 10 10 IECE CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(N(C)C)c(F)c2)CC1 1743139725 GQQRBQMWSVPESU-HNNXBMFYSA-N 438.573 2.378 10 10 IECE Cc1nnc(N2CCC[C@@H](S(C)(=O)=O)C2)n1Cc1ccc(N2CCSCC2)cc1 1751920856 HEERNAQIOVXLST-LJQANCHMSA-N 435.619 2.201 10 10 IECE Cc1cc(N(C)C)ccc1Cn1c(C)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1761698288 UDJHPDTZVUHFQP-UHFFFAOYSA-N 439.608 2.144 10 10 IECE CCc1nn(C)c(OC)c1Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccccc1O 1762809533 CTYHOLXRZWUJOK-UHFFFAOYSA-N 441.536 2.111 10 10 IECE COc1cc(C=C2C(=O)NN(c3ccc(I)cc3)C2=O)ccc1O 2297451831 GNXSNDLGMDCLSZ-UHFFFAOYSA-N 436.205 2.467 10 10 IECE COc1ccc(N2CCN(C[C@H](O)CN(C)c3cc(OC)c(OC)c(OC)c3)CC2)cc1 754047125 AVZJTBCXNRPDOC-HXUWFJFHSA-N 445.560 2.340 10 10 IECE C[C@H]1CN(c2ccc(CNC(=O)CN3CCc4ccnc(O)c4C3)cc2F)C[C@H](C)O1 755204514 FFZNJTSLJPREBW-HOTGVXAUSA-N 428.508 2.214 10 10 IECE Cc1cc(N2CCC[C@H](NC(=O)NCc3ccc(N4CCOCC4)c(F)c3)C2)n(C)n1 767778746 OHFNRMCUOLZOGB-SFHVURJKSA-N 430.528 2.172 10 10 IECE O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCC(Oc2cnccn2)CC1 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O=C(CN1CCc2c(cccc2[N+](=O)[O-])C1)NCc1ccc(N2CCOCC2)c(F)c1 757162788 KSBAAKKUFKOXIX-UHFFFAOYSA-N 428.464 2.245 10 10 IECE O=C(NCc1ccc(N2CCOCC2)c(F)c1)NCc1cnc(N2CCOCC2)c(F)c1 765877232 RVWDPPBRHWZSMB-UHFFFAOYSA-N 447.486 2.032 10 10 IECE O=C(NCCNC(=O)c1ccco1)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 768687802 RMQQHXTVLVJFRX-UHFFFAOYSA-N 425.533 2.041 10 10 IECE CCN1CCN(c2ccc(CNC(=O)c3cnc4c(cnn4C)c3OC)cc2F)CC1 783965707 SWBBBFDXZKWTPQ-UHFFFAOYSA-N 426.496 2.188 10 10 IECE O=C1C[C@@]2(CCN(C(=O)CCCN3C(=O)/C(=C\c4cccs4)SC3=S)C2)CN1 790167992 BIEIJMZZNIMCIV-JNMQVBFRSA-N 435.596 2.468 10 10 IECE CN(Cc1ccc(N(C)C)cc1)C(=O)CN1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 805786853 DDNXXIOHQQYYKD-VQTJNVASSA-N 436.556 2.220 10 10 IECE COc1ccc(N2CCCN(c3nnc([C@@H]4COCCO4)n3C[C@H]3CCOC3)CC2)cc1 812429191 GSBQRTQPHJGMRU-NQIIRXRSSA-N 443.548 2.128 10 10 IECE CN(C)c1ccc(N=Nc2ccccc2C(=O)NCCc2nnc3n2CCNC3=O)cc1 1155212142 SONNGEVOEXMYIZ-UHFFFAOYSA-N 432.488 2.475 10 10 IECE 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Cc1cc(C(=O)NC[C@H](NS(=O)(=O)N(C)C)C2CCCC2)c(C)n1-c1ccccn1 1556977763 DDXCSWLATMQKFG-IBGZPJMESA-N 433.578 2.174 10 10 IECE COc1ccc(N2CCN(C(=O)NCCc3ccccc3S(C)(=O)=O)CC2)cc1F 1565326697 FIVPEGXOJNHLEO-UHFFFAOYSA-N 435.521 2.312 10 10 IECE COc1ccc(N2CCN(CCNC(=O)CCNC(=O)c3cc4ccccc4[nH]3)CC2)cc1 1583758458 QPDGJXATUSDNAV-UHFFFAOYSA-N 449.555 2.235 10 10 IECE CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)Cn1nc2n(c1=O)CCCCC2 1618427264 HFBPELZBVFBQBZ-UHFFFAOYSA-N 443.548 2.160 10 10 IECE CCN(CC)c1ccc(CNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)cc1 1626085554 LWANBNPPZSUJLY-SFHVURJKSA-N 441.594 2.477 10 10 IECE COc1ccc(N2CC[C@H](CNC(=O)N3CCN4C(=O)N(CC(C)C)C[C@@H]4C3)C2)cc1 1636353673 GPWHXVFBZFPZLC-QUCCMNQESA-N 429.565 2.309 10 10 IECE CN1CCN(c2ccc(CNC(=O)NCc3ccc(CN4CC[C@@H](O)C4)cc3)cc2)CC1 1638007072 CCRZLYKEQPBAIC-XMMPIXPASA-N 437.588 2.004 10 10 IECE Cc1nc(O)c(Br)cc1C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1645592266 UUMKEWYZZJPPBY-UHFFFAOYSA-N 447.333 2.490 10 10 IECE COC(=O)[C@@]1(NC[C@@H](O)CN2CCN(c3ccc(OC)cc3)CC2)CCCC(C)(C)C1 1647801185 AXPXTEOZLVTLAD-HYBUGGRVSA-N 433.593 2.280 10 10 IECE COc1ccc(N2CCN(C[C@H](O)COc3ccc4c(c3)CCC(=O)N4)CC2)cc1F 1657763587 LTASXDDSBKOYQZ-SFHVURJKSA-N 429.492 2.281 10 10 IECE COC(=O)c1cnc(CNC(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)s1 1673472703 WHGNVTSJKJSMOW-UHFFFAOYSA-N 426.445 2.044 10 10 IECE CNC(=O)CCN(C)c1nnc(Cc2ccncc2)n1Cc1ccc(N(C)C)c(F)c1 1711392048 SCWMIIHTUQIBPA-UHFFFAOYSA-N 425.512 2.090 10 10 IECE CON(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(N(C)C)c(F)c1 1750164229 RRAOIRLWUZVPHW-UHFFFAOYSA-N 447.540 2.489 10 10 IECE CC[C@H](C)c1nnc(N2CCN(C)C(=O)[C@@H]2C)n1Cc1ccc(N2CCOCC2)c(F)c1 1763738720 FXNVUYUXEZOHBH-IRXDYDNUSA-N 444.555 2.483 10 10 IECE CCNC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(N(C)C)cc2C)CC1 1765658620 NWZQPPDKKZQEGN-LJQANCHMSA-N 441.580 2.056 10 10 IECE CN(C)c1ccc(Cn2c(Cc3ccccn3)nnc2N2CC[C@](C)(C(N)=O)C2)cc1F 1768496785 RGCJJVNQXZCUTJ-QHCPKHFHSA-N 437.523 2.219 10 10 IECE CCCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOCC)=C(N)O2 1864010885 QDZPHYTVTZNXFY-QGZVFWFLSA-N 430.505 2.021 10 10 IECE C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)CCc3ccc(N)nc3)cc2F)C[C@@H](C)O1 751443054 QFVKCZLMIHUUAJ-HZPDHXFCSA-N 444.507 2.209 10 10 IECE COc1cc(N2CCN(CC(=O)N=c3cc[nH]n3[C@H](C)C3CC3)CC2)cc(OC)c1OC 759871655 CZBXFSUODKZOON-MRXNPFEDSA-N 443.548 2.063 10 10 IECE C[C@@H](NC(=O)NCc1cc(Br)ccc1O)c1cccc(S(N)(=O)=O)c1 804866835 XKUQLAUNRZOMDB-SNVBAGLBSA-N 428.308 2.363 10 10 IECE C[C@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 1136025384 IDJPBAXLKVGLII-KXBFYZLASA-N 437.587 2.035 10 10 IECE CCC[C@H](O)[C@@H](CO)NC(=O)CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S 1141983677 CSPCFZAVRKOGFN-LTAXBSGQSA-N 426.535 2.055 10 10 IECE O=C(NCC1(N2CCN(c3ccccc3)CC2)CCOCC1)c1c(F)ccc(O)c1O 1161325025 MGXLDRCTHFOEHQ-UHFFFAOYSA-N 429.492 2.338 10 10 IECE COc1ccc(N2CCN(C[C@H](O)CN[C@@](C)(CO)Cc3ccc(Cl)cc3)CC2)cc1 1176600061 RRGMGZDCZIJFDK-ISKFKSNPSA-N 448.007 2.415 10 10 IECE CCc1nnc(N(C)Cc2ccc(N3CCOCC3)cc2)n1CCCCN1CCOCC1 1292833574 QTLGEDKGLQKBII-UHFFFAOYSA-N 442.608 2.426 10 10 IECE NC(=O)[C@@H](NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S)c1ccccn1 1544227460 NATOMUDIJGOHQA-UKYUDJEDSA-N 446.579 2.467 10 10 IECE COc1ccc(N2CC[C@@H](CNC(=O)c3c(I)cnn3C)C2)cc1 1585664600 DEOZDSRBJTYIHA-LBPRGKRZSA-N 440.285 2.290 10 10 IECE CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)[C@@H]2CCC(=O)N(c3cnn(C)c3)C2)cc1 1598293122 VUZCGAYRGNNMOZ-KNQAVFIVSA-N 439.560 2.437 10 10 IECE Cc1[nH]nc(I)c1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 1626154436 MTTWXPWPZIMXCL-UHFFFAOYSA-N 444.248 2.228 10 10 IECE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1ccc(S(=O)(=O)N(C)CCO)cc1 1626722813 JVCOFJUNIWCLDT-KRWDZBQOSA-N 433.574 2.035 10 10 IECE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)CCC(=O)N1CCN(c2ncccn2)CC1 1626723082 SAEWXWUHKLUZLY-LJQANCHMSA-N 438.576 2.027 10 10 IECE CC(C)(C)OC(=O)N1CCC12CCN(C(=O)c1cc(NS(C)(=O)=O)ccc1O)CC2 1638306418 ACVURJRBNZRRRW-UHFFFAOYSA-N 439.534 2.379 10 10 IECE COC(=O)C1([C@@]2(O)CCCN(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N(C)C)C2)CCC1 1638918160 QVWOLDHVLFEFQB-HYBUGGRVSA-N 446.592 2.235 10 10 IECE CC(C)NC(=O)CN(C)c1nnc(Cc2ccncc2)n1Cc1ccc(N(C)C)c(F)c1 1750988614 FRTPBSLSSJGLHJ-UHFFFAOYSA-N 439.539 2.478 10 10 IECE COC(=O)c1cc2ccccc2c(CN2CCN(c3ncnc4c3cnn4C)CC2)c1O 23616383 RPFOWBFKRNGEDO-UHFFFAOYSA-N 432.484 2.331 10 10 IECE COc1c([N+](=O)[O-])cc(N2CCN(c3cccnn3)CC2)c([N+](=O)[O-])c1Br 725790929 NPUBKHIXFCBWNA-UHFFFAOYSA-N 439.226 2.391 10 10 IECE COc1ccc(N2CCN(C[C@H](O)CN3CC[C@@H](OCc4c(C)noc4C)C3)CC2)cc1 762639006 FZJBXQPAAJGKMP-JTHBVZDNSA-N 444.576 2.074 10 10 IECE O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N1CCO[C@@]2(CCOC2)C1 768921933 BBYVTRODJIOPKX-IBGZPJMESA-N 429.439 2.243 10 10 IECE C[C@@H]1CN(c2ccc(CNC(=O)C(=O)NC3CC(N4CCCCC4)C3)cc2F)C[C@@H](C)O1 789820987 RKHXKWOYKZUASZ-NXMBOHNASA-N 446.567 2.189 10 10 IECE COc1c(C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)ccnc1F 1125312888 QFCCKQAPMMYNNF-UHFFFAOYSA-N 440.454 2.415 10 10 IECE 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CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 1566356323 BQSZNOSMOCEEPO-IRXDYDNUSA-N 441.956 2.402 10 10 IECE COCCO[C@@H]1C[C@@H](CO)CN(C(=O)Cn2c3c(c4cc(OC)ccc42)CCCC3)C1 1626578621 NHKPWMHUQXDNKI-IEBWSBKVSA-N 430.545 2.401 10 10 IECE COc1ccc(N2CCN(C(=O)[C@@H](CS(C)(=O)=O)c3ccccc3)CC2)c(OC)c1 1642104073 SEFMZTARZAIULL-IBGZPJMESA-N 432.542 2.181 10 10 IECE CC(C)C[C@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)C(=O)N1CCOCC1 1673880810 FBVUVVFWQYNFMJ-FQEVSTJZSA-N 434.606 2.313 10 10 IECE CC[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(N(C)C)c(F)c2)C1 1694888579 LBKVDJFEBSMENS-GJZGRUSLSA-N 438.573 2.378 10 10 IECE COc1ccc(N2CCN(c3nnc(C)n3CCN3CCN(C)C(C)(C)C3)CC2)cc1F 1711866222 SRZZKLSHOIDMGJ-UHFFFAOYSA-N 445.587 2.087 10 10 IECE CN(C)c1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCOC(C)(C)C2)cc1F 1747568853 FJCNTRUXMUVIJO-UHFFFAOYSA-N 430.528 2.383 10 10 IECE CCO[C@]1(c2nnc(N(C)Cc3ccccc3O)n2C[C@H]2CCOC[C@H]2OC)CCOC1 1765828718 NDCHGYDHBAPXAV-KKLQWCBXSA-N 446.548 2.324 10 10 IECE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCO)=C(N)O2 1864013999 LCWFIHVRQHPVNT-SFHVURJKSA-N 444.532 2.096 10 10 IECE CC(=O)NCCNC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 1873850165 IIUXSPSZXUQFBX-DEOSSOPVSA-N 445.523 2.041 10 10 IECE O=C1/C(=C\c2c(SCCO)nc3ccccn3c2=O)SC(=S)N1C[C@@H]1CCCO1 35229275 JOCCJEDQVNJFEO-LQELWAHVSA-N 449.579 2.159 10 10 IECE COc1ccc(N2CCN(C(=O)CCCC[C@@H]3SC[C@H]4NC(=O)N[C@@H]43)CC2)cc1F 753741120 CODHLOREBFQDKK-KPFFTGBYSA-N 436.553 2.209 10 10 IECE Cn1cc([C@@H](NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C(F)(F)F)cn1 772773343 HLLAMWXGDPWABU-RHSMWYFYSA-N 438.454 2.225 10 10 IECE CC(=O)N(C)c1ccc(C(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1 785160417 JPSWSBSTUBQHQQ-UHFFFAOYSA-N 443.475 2.118 10 10 IECE COc1c(C)cc(C)cc1S(=O)(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1 800936047 VGWPYJWZNBEXSV-UHFFFAOYSA-N 431.558 2.459 10 10 IECE CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)/C=C\c1ccc(NS(C)(=O)=O)cc1 875251659 LIRPLLRQNWAZNA-ZROIWOOFSA-N 445.541 2.339 10 10 IECE 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CCN(CC)S(=O)(=O)c1cccc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)c1 1536523449 GYNRIQBBFCSLTC-UHFFFAOYSA-N 444.601 2.399 10 10 IECE C[C@@H](CC(N)=O)N(C)c1nnc([C@H]2CCCO2)n1Cc1ccc(N2CCSCC2)cc1 1611361769 SGVFBULUWROQIX-QFBILLFUSA-N 444.605 2.431 10 10 IECE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCc1ccc(N2CCSCC2)cc1 1624892143 BVRJPBOTQQREQK-IBGZPJMESA-N 434.606 2.407 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N[C@H](C(C)C)[C@H](CO)C(C)C)CC2)cc1 1628154901 GSROZUZBUWZAME-DYCBHTBMSA-N 431.577 2.305 10 10 IECE COC(=O)C[C@](C)(NCC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)C1CC1 1655381015 IFLJDXKVZILKHH-PXAQALGRSA-N 435.540 2.377 10 10 IECE C[C@@H]1CN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC[C@H](C(F)(F)F)O1 1655497891 AXSGBKFGAZGWKT-RDTXWAMCSA-N 433.446 2.320 10 10 IECE O=C(NCc1cc(Cl)ccc1O)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 1679626094 XBLKXJKQQKMUAK-OALUTQOASA-N 428.920 2.444 10 10 IECE CN(C)CCC[C@H]1CN(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)CCO1 1681849476 ATGVYRFTBYGBQB-KRWDZBQOSA-N 426.508 2.054 10 10 IECE 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CS(=O)(=O)N[C@H]1CCN([C@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)C1 735084011 AFJVCKJICUWLAJ-HKUYNNGSSA-N 441.513 2.357 10 10 IECE CCN(CC)C(=O)C1CCN(C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)CC1 746726397 PSHDFMNXWXSYAP-UHFFFAOYSA-N 445.608 2.107 10 10 IECE Cc1cc(CCNC(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)c(C)n1-c1ccccc1 806037195 HPUPTFDVILCJNK-HXUWFJFHSA-N 447.605 2.207 10 10 IECE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 919969617 AMAVLJLERGIWIK-INIZCTEOSA-N 449.548 2.018 10 10 IECE CS(=O)(=O)Nc1ccccc1C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 1141926793 YAGIVDUVPCESNN-UHFFFAOYSA-N 425.457 2.103 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N[C@@H](c3nc(C)no3)C(C)C)CC2)cc1 1160146593 PKVIUJHEXOAJGO-LCCNJJIFSA-N 427.505 2.105 10 10 IECE CN(C)c1ccc([C@@H](CNC(=O)N[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)N(C)C)cc1 1253665370 DOUFIZADYFMWID-YPAWHYETSA-N 429.609 2.298 10 10 IECE COC[C@H](F)Cn1c(-c2cnccn2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1315817212 VBQAYRGKEQHKFL-GOSISDBHSA-N 441.511 2.193 10 10 IECE 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COc1ccc(N2CC[C@H](NC(=O)N3CCc4c(cccc4NS(C)(=O)=O)C3)C2)cc1 1478956291 FDZJRPMCQRHSFQ-KRWDZBQOSA-N 444.557 2.413 10 10 IECE CCOCc1nnc(N2CC[C@@](C)(N3CCOCC3)C2)n1Cc1ccc(N(C)C)c(F)c1 1516502860 PLEQNAWALWIEJO-HSZRJFAPSA-N 446.571 2.369 10 10 IECE CN(C)c1ccc([C@@H](CNC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)N(C)C)cc1 1539708037 VOUMOUWVHRXWTE-JOCHJYFZSA-N 444.601 2.498 10 10 IECE Cc1cc(N(C)C)ccc1Cn1c([C@@H]2CCCOC2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1542227089 SIDVRLMTFGRXAJ-IEBWSBKVSA-N 449.621 2.464 10 10 IECE CCC[C@@H]1CN(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)CCN1CCOC 1564895453 JIEJVPHANJRXFQ-GOSISDBHSA-N 440.535 2.444 10 10 IECE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 1587034764 GNFQPNUGOFVNCE-WOJBJXKFSA-N 429.498 2.250 10 10 IECE NC(=O)C1CCN(c2ccc(CNC(=O)[C@@H]3CCCCN3C(=O)c3ccco3)cc2)CC1 1616599970 QZYVMDWAYRIIEY-FQEVSTJZSA-N 438.528 2.292 10 10 IECE CCOC(=O)[C@H](NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1 1618380081 ABJDQKYFRILOKW-JOCHJYFZSA-N 429.492 2.173 10 10 IECE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1 1682100866 GEPMCCBHRVCLRZ-ZWKOTPCHSA-N 436.622 2.495 10 10 IECE C#CCN(c1nnc(C2CCC2)n1Cc1ccc(N(C)C)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1705564110 AEEFTMRCYCQCIU-GOSISDBHSA-N 445.564 2.426 10 10 IECE CCc1nnc(N2CCN(c3ccc(OC)c(F)c3)CC2)n1CCC1(O)CCOCC1 1764913620 CIALDYSEEFWOIB-UHFFFAOYSA-N 433.528 2.246 10 10 IECE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)CC2)cc1 1861955239 DHEDOWWEVZVPCQ-SCBHQAGPSA-N 438.484 2.470 10 10 IECE Cc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H]1CCCO1)=C(N)O2 1864009323 FIEUJYIJRRYTJS-DNVCBOLYSA-N 442.516 2.249 10 10 IECE COc1cc(S(N)(=O)=O)cc(C(=O)NCc2ccc(N3C[C@H]4CC[C@H]3C4)cc2)c1OC 1891381983 YKRKJERIOVLRIK-RDJZCZTQSA-N 445.541 2.270 10 10 IECE COc1ccc(OC)c(N2C(=O)NC(=O)C(=Cc3ccc(OC)c(OC)c3OC)C2=O)c1 2296138995 JQSWQXCTTIMBDH-UHFFFAOYSA-N 442.424 2.396 10 10 IECE Cc1ccc(NCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1S(C)(=O)=O 759113795 OZLNEVGEIMEUCA-UHFFFAOYSA-N 435.521 2.103 10 10 IECE CN1CCN(c2cccc(C(=O)NCc3ccc(N4CCN(CC5CC5)CC4)cc3)n2)CC1 769165001 NIWBDMCBEWNYFV-UHFFFAOYSA-N 448.615 2.295 10 10 IECE O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCN(c2cc(C3CC3)[nH]n2)CC1 777459870 SCFKTFCBBHXBPI-UHFFFAOYSA-N 428.512 2.295 10 10 IECE CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H]2CCN(c3ccccc3)C2=O)cc1F 805641357 ZKDJJRSVVUTXHE-IBGZPJMESA-N 426.492 2.210 10 10 IECE CCc1nc([C@H]2CCCCN2CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)no1 917079180 IEOWRYYKGPXMCI-LJQANCHMSA-N 431.512 2.451 10 10 IECE COc1cc(OC)c(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)cc1OC 1133847904 VPFSLDUVGBSQII-UHFFFAOYSA-N 427.501 2.344 10 10 IECE COc1ccc(N2CCN(C[C@H](O)CN3CCOC[C@H]3c3cccc(F)c3)CC2)cc1 1196143005 ZIIPONMKVFNMKJ-UPVQGACJSA-N 429.536 2.391 10 10 IECE CN1C[C@H](N(C)C(=O)CCN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)CCC1=O 1298674024 SXBBABIEXJZAKQ-YLQKULKDSA-N 435.546 2.496 10 10 IECE C[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(N2CCCC2)cc1)N(C)C 1360555998 ZZUPISPDYWYDLC-PXNSSMCTSA-N 425.581 2.416 10 10 IECE Cn1cc(O)c(=O)cc1CNC(=O)CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S 1469567023 IACBAMHSIPDCTB-CAOOACKPSA-N 447.513 2.138 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C\C(=O)Nc3ccc(C)c([N+](=O)[O-])c3N)CC2)cc1 1472226488 MELCKNIRZKFADE-KTKRTIGZSA-N 439.472 2.338 10 10 IECE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)C3[C@H]4CCCCCC[C@H]34)CC2)cc1 1616832457 JXEPRNOKOHHBEW-SFTDATJTSA-N 449.617 2.480 10 10 IECE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@@H]1C(=O)NCc1ccc(N(C)C)c(F)c1 1627046405 VMFRAZOFGOYOTG-KVPRVUCYSA-N 441.425 2.494 10 10 IECE COCCN(C(=O)c1ccc(C)c(-n2c(C)cc(C=O)c2C)c1)[C@H]1CCS(=O)(=O)C1 1628596648 DWUHZXWULCZGDS-FQEVSTJZSA-N 432.542 2.491 10 10 IECE Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(N)=O)C2)C1 1636692365 ZMEMHNKFVZYPSE-RDYUPDBUSA-N 435.571 2.097 10 10 IECE CCOC(=O)[C@](C)(NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1 1648363808 IILSHFGBYMRJSD-XMMPIXPASA-N 443.519 2.347 10 10 IECE C[C@@H]1COc2ccccc2CN1C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1674271694 NKEXKFNMAXLRMN-QGZVFWFLSA-N 429.542 2.414 10 10 IECE CN(C)c1ccc(Cn2c(-c3cccn3C)nnc2N2CC[C@](C)(C(N)=O)C2)cc1F 1747572109 FSWBPFVBMGEWAO-QFIPXVFZSA-N 425.512 2.239 10 10 IECE CN(C)c1ccc(Cn2c(-c3ccccn3)nnc2N(C)CCS(C)(=O)=O)cc1F 1747572421 KTNRZHPYUMAWQY-UHFFFAOYSA-N 432.525 2.074 10 10 IECE COCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCc2cnc[nH]2)C1=O 1873164989 BYSBGXZHNPEGQT-UHFFFAOYSA-N 433.512 2.376 10 10 IECE Cc1nn(-c2ccccc2)c(O)c1C=C1SC(=S)N([C@H]2CCS(=O)(=O)C2)C1=O 2295887878 WNXOGZWHPGJZBX-ZDUSSCGKSA-N 435.552 2.275 10 10 IECE O=C1N=C(S)N(c2ccccc2)C(=O)/C1=C\N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 102716207 FVDFGMIRFQVUEI-XOQYZJNISA-N 434.477 2.496 10 10 IECE Cn1ncc(Br)c1/C=C1\SC(=S)N(CCCN2CCOCC2)C1=O 779204705 RWFRTCVVFNIJTM-LCYFTJDESA-N 431.381 2.106 10 10 IECE CC(C)(C)OC(=O)N1CC[C@]2(CCCN2C(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 1158931193 WJWBCCJXUFRRJX-HXUWFJFHSA-N 439.534 2.379 10 10 IECE COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)CCN(C)c1ccc(OC)cc1 1164597300 JJCBQQHWDZXDDK-GOSISDBHSA-N 437.537 2.436 10 10 IECE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)[C@@H]3C[C@@H]3c3cccc(F)c3)cc2)CC1 1211512834 OHCSMPFBDDKADK-FGZHOGPDSA-N 431.533 2.470 10 10 IECE COc1ccc(N(C)CC(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)cc1F 1307555582 NQNKTYCCPNBTMD-UHFFFAOYSA-N 449.548 2.420 10 10 IECE CC(C)(C)OC(=O)NC[C@@H]1OCC[C@@H]1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 1356037651 ZMOHSAXTJQKIEY-LPHOPBHVSA-N 437.512 2.208 10 10 IECE Cc1nc2cc(O)nn2c(C)c1CC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 1436624920 UHTQFJUFVKERSP-UHFFFAOYSA-N 431.443 2.025 10 10 IECE CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCO[C@@H]2CNC(=O)OC(C)(C)C)N(C)C)cc1 1439960192 KRBPWQCQDZACPI-SLFFLAALSA-N 434.581 2.401 10 10 IECE O=C(CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)NC1CN(c2ccncn2)C1 1471308879 SNUASVPIJRPBPF-CXUHLZMHSA-N 443.529 2.212 10 10 IECE Cc1nnc(N(C)Cc2ccc(N3CCOCC3)cc2)n1CCCNC(=O)C1CCC1 1511776427 PETQETDHQIXARU-UHFFFAOYSA-N 426.565 2.366 10 10 IECE COc1ccn2c(C(=O)N3CCN(c4cc(OC)c(OC)c(OC)c4)CC3)cnc2c1 1536634523 TWRRJMHXDVVLMW-UHFFFAOYSA-N 426.473 2.331 10 10 IECE COc1ccc(N2CCN(CCNC(=O)c3noc(-c4ccc(F)cc4)n3)CC2)cc1 1542431829 JDGLPAOEDGIZNK-UHFFFAOYSA-N 425.464 2.436 10 10 IECE C[C@H](NC(=O)N(C)CCN(C)c1ccc(S(N)(=O)=O)cc1)c1ccc(N(C)C)cc1 1564597408 MMKOINFHJUXVAY-INIZCTEOSA-N 433.578 2.239 10 10 IECE COc1ccc(N2CCN(C(=O)N[C@@H]3CCO[C@@H](c4ccnn4C)C3)CC2)c(OC)c1 1564766831 LEQRPGBHPNOFGN-IIBYNOLFSA-N 429.521 2.189 10 10 IECE O=C(C[C@H]1CSc2ccccc2O1)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1585894142 HWOFREAXOKZNMN-SFHVURJKSA-N 432.567 2.481 10 10 IECE Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N(CCN(C)C)[C@H]2CCS(=O)(=O)C2)cc1 1587532559 YDXFDURJOZHCCI-QFIPXVFZSA-N 445.585 2.026 10 10 IECE CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 1598291165 LHPHUCDWJBKVLU-PZJWPPBQSA-N 437.606 2.367 10 10 IECE O=C(CNC(=O)c1cccc(Br)c1)NCc1ccc(N2CCC(O)CC2)cc1 1633789290 GGQVBAOSAJMIDR-UHFFFAOYSA-N 446.345 2.456 10 10 IECE COC(=O)[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1cccc(C(F)(F)F)c1 1633871380 HBAQUGSMISVAFO-HNNXBMFYSA-N 446.403 2.427 10 10 IECE C[C@H]1CC(=O)Nc2ccc(C(=O)NCc3ccc(N4CCC(C(N)=O)CC4)cc3)cc2N1 1644863548 OFHRHIGKBWUBJE-HNNXBMFYSA-N 435.528 2.461 10 10 IECE CCOC(=O)c1c(C)nc(O)nc1SCC(=O)N1CCN(c2ccc(OC)cc2)CC1 1653059394 OZXDUYLLEQQIMC-UHFFFAOYSA-N 446.529 2.117 10 10 IECE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N1CCS[C@@H](C(F)(F)F)C1 1674276613 LXRXGQHSTWEFHP-OAHLLOKOSA-N 437.509 2.111 10 10 IECE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCCc1ccccc1S(C)(=O)=O 1675917294 PCIRVABMESHODR-UHFFFAOYSA-N 431.558 2.311 10 10 IECE COC(=O)C1CC2(C1)C[C@@H](NC(=O)N1CCN(c3ccc(OC)cc3OC)CC1)CCO2 1676013100 VYNZQTVRGMFSQV-BNGSBABLSA-N 447.532 2.036 10 10 IECE COC[C@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1712128999 VWKCCZVVYGYAMW-GOSISDBHSA-N 444.580 2.424 10 10 IECE C[C@H](CN1CCCC1)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1O 1723872323 XEGCLQHMANXVFQ-IEBWSBKVSA-N 447.605 2.254 10 10 IECE CC(=O)N1CCC(Cn2c(C(=O)NC(C)C)nnc2N(C)Cc2ccccc2O)CC1 1741023450 PCFSUNCDHUCSFS-UHFFFAOYSA-N 428.537 2.017 10 10 IECE CCN(C)C(=O)Cn1c(CC(C)C)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1745890361 AWIVRRBAWFSWJS-UHFFFAOYSA-N 432.544 2.429 10 10 IECE CCCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H]1CCCO1)=C(N)O2 1864013674 FBACKFSSCKYNAC-RDTXWAMCSA-N 442.516 2.257 10 10 IECE COc1cccc(N2C(=O)C(=CNc3ccc(N4CCOCC4)cc3)C(=O)NC2=S)c1 2297358323 VVFFXAUCQUIDNW-UHFFFAOYSA-N 438.509 2.276 10 10 IECE COc1cccc2c1O[C@@H](C)C(C=C1SC(=S)N(CCS(=O)(=O)O)C1=O)=C2 2314450697 MCNYHQJHRSTNOS-JTQLQIEISA-N 427.525 2.492 10 10 IECE COc1ccc(N2CCN(CCNC(=O)NC[C@H](CO)Cc3ccc(F)cc3)CC2)cc1 743362666 HQMQQAXKWFJZJV-HXUWFJFHSA-N 444.551 2.107 10 10 IECE COc1ccc(N2CCN(CCNC(=O)NC[C@H](c3ccsc3)N(C)C)CC2)cc1 743362718 IFJFMOUAHGJSMD-OAQYLSRUSA-N 431.606 2.481 10 10 IECE COc1ccc(N2CCN(CCNC(=O)Nc3ccn(C4CCN(C)CC4)n3)CC2)cc1 786692294 ALZBBYBZZHQYEP-UHFFFAOYSA-N 441.580 2.102 10 10 IECE C[C@H](NC(=O)[C@@H]1CCCN(CC(=O)OC(C)(C)C)C1=O)c1ccc(N2CCOCC2)cc1 1125451286 GOAZWGRQMBDBCA-PXNSSMCTSA-N 445.560 2.281 10 10 IECE 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C[C@@H](OC(=O)[C@H]1CCNC(=O)CC1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 815423764 MORIRANCBSSDLH-ZIAGYGMSSA-N 434.448 2.249 10 10 IECE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1[C@H](C)C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]21 1138152834 QUDLCEBFJGHIOI-GCCFPKNESA-N 440.418 2.131 10 10 IECE COc1ccc(N2CC[C@@H](CNC(=O)c3ccc(S(=O)(=O)NC4CC4)cc3)C2)cc1 1142798783 VKQIUDBTNMTQCL-INIZCTEOSA-N 429.542 2.392 10 10 IECE CS(=O)(=O)NC[C@H]1COCCN1CC(=O)Nc1ccc(N=Nc2ccccc2)cc1 1196637684 CDBCZCCBEXMGJX-IBGZPJMESA-N 431.518 2.291 10 10 IECE CCN(CC)c1ccc(CN(C)C(=O)N[C@H]2CCCN(CCN3CCOCC3)C2)cc1 1245968975 BKMYHARRXWZCKK-QFIPXVFZSA-N 431.625 2.471 10 10 IECE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N1CC[C@@H](Cc2nccs2)C1 1312984706 VGKSGKSHOLHYGG-KRWDZBQOSA-N 434.587 2.152 10 10 IECE CN(C)c1ccc(Cn2c(CC(C)(C)C)nnc2N2CCN3C(=O)NC[C@@H]3C2)cc1F 1314662131 ZEUHXRUSUZYGLZ-MRXNPFEDSA-N 429.544 2.334 10 10 IECE COc1ccc(N2CCCN(c3nnc([C@H]4CCOC4)n3C[C@@H](C)N(C)C)CC2)cc1 1315512864 PGTDYPRMSZDLSC-MOPGFXCFSA-N 428.581 2.457 10 10 IECE CCOC(=O)[C@@H]1CCCN(CC(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)C1 1445877749 ALBUZUGOBCBNSI-VQIMIIECSA-N 437.968 2.401 10 10 IECE COc1ccc(N(C)CCN(C)CC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)cc1 1460336298 QMZQTMTYAAGSIY-UHFFFAOYSA-N 448.589 2.261 10 10 IECE CS(=O)(=O)Nc1ccc(CNC(=O)NCc2ccc(N3CCC(O)CC3)cc2)cc1 1479030799 RABLUIWXWVQWBC-UHFFFAOYSA-N 432.546 2.019 10 10 IECE CNC(=O)CCN(C)c1nnc(C(C)C)n1Cc1ccc(N2CCC(CO)CC2)cc1 1517570632 PLHNYXVMOPEQQO-UHFFFAOYSA-N 428.581 2.231 10 10 IECE CCc1ccccc1CC(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1531317262 PAABYJWJYUKQQM-UHFFFAOYSA-N 445.585 2.068 10 10 IECE CCNS(=O)(=O)c1ccc(F)c(C(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)c1 1557133556 OZHPWHNYWPZLBR-OAHLLOKOSA-N 435.521 2.389 10 10 IECE CC(=O)N1CCN(c2ccc(CNC(=O)c3cc(C)n(-c4cnccn4)c3C)cc2)CC1 1625199573 YRVCTZFNKKARGH-UHFFFAOYSA-N 432.528 2.483 10 10 IECE C[C@@H]1CC(=O)Nc2ccc(C(=O)NCc3ccc(N4CCC(C(N)=O)CC4)cc3)cc2N1 1644863549 OFHRHIGKBWUBJE-OAHLLOKOSA-N 435.528 2.461 10 10 IECE COC(=O)[C@@]1(NC[C@H](O)CN2CCN(c3ccc(OC)cc3)CC2)CCCC(C)(C)C1 1647801184 AXPXTEOZLVTLAD-GBXCKJPGSA-N 433.593 2.280 10 10 IECE CC(C)CN(Cc1cnn(C)c1)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1683735063 YDENASOWFGRIFF-UHFFFAOYSA-N 433.578 2.023 10 10 IECE CCO/C=C\[C@@](O)(CNC(=O)NCc1ccc(N2CCC(O)CC2)cc1)C(F)(F)F 1684280071 GRNAEKRSHQZFFJ-UZRURVBFSA-N 431.455 2.291 10 10 IECE CCO[C@@]1(c2nnc(N(C)CCOC)n2Cc2ccc3c(c2)CCCN3C)CCOC1 1710436735 QWOKDLMHOLGCHW-QHCPKHFHSA-N 429.565 2.444 10 10 IECE CNC(=O)N1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(N(C)C)cc2C)CC1 1729734371 RGWZCXPCPMVHSG-LJQANCHMSA-N 441.580 2.056 10 10 IECE COC(=O)CCCN1C(=O)/C(=C2\SC(=S)N(CCC(=O)O)C2=O)c2ccccc21 1860826137 AWUICBFLPAHVPI-NXVVXOECSA-N 434.495 2.033 10 10 IECE COc1ccc(N2CCN(Cc3cc(=O)c(OC)cn3CCCn3ccnc3)CC2)cc1 1870555364 BFFOYSOSGOYBNE-UHFFFAOYSA-N 437.544 2.475 10 10 IECE Cc1ccc(C)n1-c1ccc(C2=C(NCCCN(C)C)C(=O)N(CCN(C)C)C2=O)cc1 1873165707 QLJKZLRJPJTWIA-UHFFFAOYSA-N 437.588 2.277 10 10 IECE Nc1cccc(NC=C2C(=O)NC(=O)N(c3ccc(I)cc3)C2=O)c1 2296943305 DVZNZYJKXBMJQO-UHFFFAOYSA-N 448.220 2.452 10 10 IECE COc1ccc(N2CCN(CCNC(=O)c3cc(OC)c4c(c3)OCCO4)CC2)cc1 742927065 GXDQAEOQMGSPJK-UHFFFAOYSA-N 427.501 2.027 10 10 IECE CC[C@]1(C2CC2)NC(=O)N(CC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)C1=O 758772702 BLXQVKPRWONMOW-XAPDGSRCSA-N 446.523 2.166 10 10 IECE O=C1COc2cc([N+](=O)[O-])c(N3CCN(C(=O)Cc4ccccc4Cl)CC3)cc2N1 761887165 LPMPMUUTHQKZDO-UHFFFAOYSA-N 430.848 2.470 10 10 IECE COC(=O)c1ccc(N2CCN(c3cc4c(cc3[N+](=O)[O-])OCC(=O)N4)[C@H](C)C2)cc1 761887752 TZUUXCKYWQVKLF-CYBMUJFWSA-N 426.429 2.427 10 10 IECE COc1ccc(N2CCN(CCNC(=O)C(=O)N[C@@H](C)c3cc(C)sc3C)CC2)cc1 787846572 IFEXEOHYNBONIS-KRWDZBQOSA-N 444.601 2.489 10 10 IECE COc1ccc(N2CCN(C(=O)/C=C\C(=O)NCc3c(C)nc4ccccn34)CC2)cc1 1180197744 YFWQZVKZMMNXOB-KHPPLWFESA-N 433.512 2.173 10 10 IECE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)c3cccc4c3O[C@H](C)C4)cc2)CC1 1189191364 BCPPGFIREYKTTC-MRXNPFEDSA-N 429.542 2.157 10 10 IECE O=C(CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)N1CC[C@@H](n2cncn2)C1 1269679024 FNNCASZZICLIOH-AVIKPIRVSA-N 431.518 2.482 10 10 IECE NC(=O)C1CCN(c2ccc(CNC(=O)NC[C@H]3CCCN3CC(F)(F)F)cc2)CC1 1471281684 KIHDEYCNZXJQRR-GOSISDBHSA-N 441.498 2.214 10 10 IECE COC[C@@H](F)Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1518748871 KCWLQIXFCFVYGB-MOPGFXCFSA-N 433.528 2.240 10 10 IECE COCCCn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1519069611 ZJPDHCGEWWCUHL-UHFFFAOYSA-N 425.537 2.188 10 10 IECE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)CC(C)(C)CC(F)F)CC2)cc1 1531664117 GPWWLQAMHBCREE-UHFFFAOYSA-N 447.548 2.335 10 10 IECE Cc1cc(N(C)C)ccc1Cn1c(Cc2ccccn2)nnc1N1CCC(C(N)=O)CC1 1542227081 RXUOMUGFQTVYFW-UHFFFAOYSA-N 433.560 2.388 10 10 IECE CC1=C(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)[C@H](C)n2nnnc2N1C 1584356336 ISZQWAPNSRUSBL-ZDUSSCGKSA-N 433.463 2.345 10 10 IECE COC[C@@H](F)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1619622852 SFZCHNSBWSRWAU-HOTGVXAUSA-N 437.491 2.241 10 10 IECE CC(C)(C)OC(=O)N1CC[C@]2(C1)c1[nH]cnc1CCN2C(=O)Cc1ccc(O)c(O)c1 1633493216 JSYMRJLCDVNTFX-QFIPXVFZSA-N 428.489 2.284 10 10 IECE CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1 1634384689 JKULHCQCIROXSA-INIZCTEOSA-N 441.532 2.162 10 10 IECE COC[C@@]1(CO)CCN(C(=O)CCN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)C1 1635748000 LPUPVSBFKBUQCX-QGRTWZNFSA-N 438.546 2.274 10 10 IECE COc1ccc(N(C)CCN(C)C(=O)CCc2c(C)nc3[nH]n(C)c(=O)c3c2C)cc1 1640771401 KRLSCOAJGNYERR-UHFFFAOYSA-N 425.533 2.414 10 10 IECE CCOC(=O)[C@H]1[C@H]2CN(CC(=O)NCc3ccc(N4C[C@H](C)O[C@H](C)C4)c(F)c3)CC[C@H]21 1648308302 UFOSPXGBADLKAZ-FWSLATNXSA-N 447.551 2.187 10 10 IECE O=C(c1c(F)ccc(O)c1O)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 1654185311 JPCIWGXATMUGDE-UHFFFAOYSA-N 448.394 2.402 10 10 IECE O=C(NCc1ccc(N2CCC(O)CC2)cc1)N1CCC[C@H](CNC(=O)C(F)(F)F)C1 1684281487 ZQEFUYQWIIJNGL-MRXNPFEDSA-N 442.482 2.248 10 10 IECE CC(C)Cc1nnc(N2CCS(=O)CC2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1692258843 DNSTXRAHHDKOHG-UHFFFAOYSA-N 445.633 2.302 10 10 IECE COc1ccc(N2CCN(C(=O)CNC(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1 1862288825 POOSEOIJMHSVPA-UHFFFAOYSA-N 432.864 2.335 10 10 IECE Cc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC(C)C)=C(N)O2 1864010500 UUPXCERSMHOJNM-IBGZPJMESA-N 444.532 2.495 10 10 IECE C[C@@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)N1CCN2C(=O)OCC[C@H]2C1 764447186 KXUXKQSBWHYDNN-GJZGRUSLSA-N 433.464 2.316 10 10 IECE C[C@H](NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)C1(S(C)(=O)=O)CC1 804969975 UIRHFWDUASUCEL-KFWWJZLASA-N 427.542 2.204 10 10 IECE NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N[C@@H]3COc4ccc(F)cc4C3)cc2)C1 812009788 KGKBHPVYMLYAAY-APWZRJJASA-N 426.492 2.330 10 10 IECE CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C1=CCCN(C(=O)OC(C)(C)C)CC1)CC2 1137094592 WNXFEWOJLBTTCH-UHFFFAOYSA-N 435.546 2.441 10 10 IECE C[C@@H](CN(C)C(=O)CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)c1nn[nH]n1 1153675381 HHDCEGYHYRCBRH-HOXUKUGESA-N 434.522 2.192 10 10 IECE CCOC(=O)c1c(NC(=O)CN2CCN(C)[C@@H](CO)C2)sc(C)c1-c1ccccc1 1175182698 BXPBKIKGGWGIHF-QGZVFWFLSA-N 431.558 2.447 10 10 IECE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N[C@H]1CCN(c2ccccc2F)C1 1229470167 VLRYIJPVAUGPPF-SFHVURJKSA-N 446.548 2.139 10 10 IECE COC(=O)c1cc2n(n1)CCC[C@@H]2NC(=O)N1CCCN(c2ccc(OC)cc2)CC1 1256162074 RLKMEGUEQOLZAF-SFHVURJKSA-N 427.505 2.435 10 10 IECE CCOc1ccc(S(=O)(=O)NCC(=O)NCc2cc(Br)ccc2O)cc1 1324206785 BULUAVIKGDSKOO-UHFFFAOYSA-N 443.319 2.148 10 10 IECE CNC(=O)[C@@]1(C)CCN(c2nnc([C@H]3CCOC3)n2CCCSc2nccs2)C1 1618587945 SWMFVRHWSFNVJH-LIRRHRJNSA-N 436.607 2.383 10 10 IECE CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O 1624626178 MWJZOTWGXAEAND-NRFANRHFSA-N 448.523 2.176 10 10 IECE COc1ccc(N2CC[C@@H](NC(=O)c3cc(S(N)(=O)=O)cc(Cl)c3F)C2)cc1 1641227835 HKZKSJBSLAOEML-LLVKDONJSA-N 427.885 2.144 10 10 IECE O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@@H]1CCCN(C(=O)N2CCCC2)C1 1682267035 GEZPBQZKNJJUOP-LJQANCHMSA-N 429.565 2.127 10 10 IECE O=C(NCc1ccc(N2CCC(O)CC2)cc1)N1CCn2ncc(Br)c2C1 1684140868 CELASNMLGOSFDR-UHFFFAOYSA-N 434.338 2.332 10 10 IECE COc1ccc(N2CC[C@@H](NC(=O)N3CCC(CNC(=O)C(F)(F)F)CC3)C2)cc1 1687022617 DPLKZZNIOFRILI-OAHLLOKOSA-N 428.455 2.374 10 10 IECE CCc1nnc(N(C)CCc2cnccn2)n1Cc1ccc(N2CCOCC2)c(F)c1 1709044732 AHMBSMTWKYBOHL-UHFFFAOYSA-N 425.512 2.333 10 10 IECE CN(Cc1ccccc1O)c1nnc(Cc2cccnc2)n1C[C@@H]1CCCS(=O)(=O)C1 1767113732 VQQDSYQVEOUOLF-SFHVURJKSA-N 441.557 2.431 10 10 IECE COc1ccc(CN2C(=O)NC(=O)C(=Cc3c(OC)cc(OC)cc3OC)C2=O)cc1 2297060375 SLWZMPLZQLMMAS-UHFFFAOYSA-N 426.425 2.383 10 10 IECE CCOC(=O)COc1ccc(/C=C2/SC(=S)N(N3CCOCC3)C2=O)cc1OC 35519929 VHNMXNAPAYNIKV-LFIBNONCSA-N 438.527 2.086 10 10 IECE COc1ccc(N2CCN([C@H](CNC(=O)c3cccn(C)c3=O)c3ccco3)CC2)cc1 49486396 FBNHHVOWWIHOKP-OAQYLSRUSA-N 436.512 2.280 10 10 IECE Cc1nc2ccc(C(=O)N3CCCN(C(=O)c4cc(O)c(O)c(O)c4)CC3)cc2nc1C 169846317 WIPBCMRVLLAXCO-UHFFFAOYSA-N 436.468 2.352 10 10 IECE O=C1C[C@@H](c2ccccc2)N(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCN1 734268785 BMNKVYLGNMZGKJ-NRFANRHFSA-N 426.492 2.435 10 10 IECE CN1CCCc2cc(CNC(=O)N3CC(S(=O)(=O)N4CCc5ccccc54)C3)ccc21 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