smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1ccc(CCN2C(=O)/C(=C\c3c(C)c(C#N)c(=O)n(C)c3N3CCCCC3)SC2=S)cc1 2256684 IRXJRUICQDWAHQ-PXLXIMEGSA-N 508.669 4.008 10 10 KICE CCOCCCN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3c(C)cccc3C)c3ccccc32)SC1=S 2533618 IWWGSEKYNAGZSF-XTQSDGFTSA-N 509.653 4.287 10 10 KICE COc1cc(/C=C2\SC(=S)N(CCS(=O)(=O)O)C2=O)ccc1OCc1ccccc1Cl 39910112 JRUBQHJHFFOVAM-WQRHYEAKSA-N 500.019 4.017 10 10 KICE CCCCn1c(N2CCN(CC)CC2)c(/C=C2\SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)c(C)c(C#N)c1=O 110528835 OQPWPZWRLGQZJP-DIBXZPPDSA-N 609.818 4.432 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@@H]1c1ccc(F)cc1 252670496 KUHFCAWQBHBJBK-AREMUKBSSA-N 560.607 4.253 10 10 KICE COC(=O)c1cc(C(=O)OC)cc(N2C(=O)C(O)=C(c3ccc(Cl)cc3)[C@H]2c2ccc(O)c(O)c2)c1 526288269 WRTPXAUQFALXBG-JOCHJYFZSA-N 509.898 4.382 10 10 KICE Cc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(Cl)cc1)=C(N)O2 1864012038 PSPJKIAWSCPCMB-DEOSSOPVSA-N 534.975 4.455 10 10 KICE CCCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(Cc3ccccc3)CC1)=C(N)O2 1865030235 GLCCNMAIZPDTTM-VWLOTQADSA-N 516.642 4.443 10 10 KICE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(-c5ccccc5)nn4C)[C@H]3c3cccc(F)c3)CC2)cc1 1865547616 MYANWJGEDWHJDE-RUZDIDTESA-N 539.611 4.278 10 10 KICE CCCC[C@@H](NC(=O)[C@H](Cc1ccccn1)c1ccccc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868663927 LMNIOBVZQAIPKH-FQLXRVMXSA-N 514.670 4.440 10 10 KICE CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CC[C@H](O)C[C@H]2c2ccc(OC)c(OC)c2)n1 1869139976 FMCPQOKRQCVSSK-ZCYQVOJMSA-N 533.673 4.094 10 10 KICE CCOC(=O)c1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCc3cnc[nH]3)C2=O)cc1 1873165994 ZRQQBAWTAKTXAW-UHFFFAOYSA-N 537.620 4.106 10 10 KICE COc1ccc(N2C(=O)C(=Cc3ccc(-c4cc(C(=O)O)ccc4Cl)o3)C(=O)NC2=S)c(OC)c1 2293749555 GKZVYUJPEPDXTB-UHFFFAOYSA-N 512.927 4.147 10 10 KICE O=C(CCN1C(=O)/C(=C/c2cc(Br)ccc2O)SC1=S)Nc1ccc([N+](=O)[O-])cc1 47152202 JZXQQYCCSVTLHP-YBEGLDIGSA-N 508.375 4.293 10 10 KICE COc1ccc(CCN2C(=O)/C(=C\c3c(N4CCC(C)CC4)nc4ccccn4c3=O)SC2=S)cc1OC 100850377 VWYRMWVVYCZJMO-HAVVHWLPSA-N 550.706 4.392 10 10 KICE O=C1/C(=C/c2ccc(F)cc2)SC(=S)N1CCC(=O)N(Cc1ccc(N2CCCCC2)o1)[C@H]1CCS(=O)(=O)C1 101909627 UUEQVRAZTIKRPE-BNDVRQRFSA-N 591.752 4.216 10 10 KICE Cc1ccc(/C=C2\SC(=S)N(CC(=O)N(Cc3ccc([C@@H]4C[C@H]4C)o3)[C@H]3CCS(=O)(=O)C3)C2=O)cc1 256044985 XKTYEIZRQAHNLO-KAVLIPBNSA-N 544.720 4.129 10 10 KICE C[C@@H]1CN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(Cc3ccccc3Cl)C2=O)C[C@@H](C)O1 1772719144 NXSNNHXODKETCC-FASCHPMRSA-N 527.071 4.363 10 10 KICE CCCC[C@@H](NC(=O)COc1cc(Cl)ccc1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862196507 UPWLMQJPSVXNAN-JOCHJYFZSA-N 508.446 4.405 10 10 KICE Cc1ccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3Cc3ccc(C)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1 1864008259 GSIBWZMDGIPPOG-SANMLTNESA-N 510.594 4.279 10 10 KICE CCc1ccc([C@@H](C)NC(=O)C2=C(N)Oc3c(c(CC)nn3-c3ccccn3)[C@H]2c2ccc(O)c(O)c2)cc1 1864019028 UPLGIMAWGAMMHV-CRICUBBOSA-N 525.609 4.375 10 10 KICE CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)C[C@@H](C)C1)=C(N)O2 1865032454 CPGQKEGLQMFKIR-GGUMNFRJSA-N 502.615 4.353 10 10 KICE COc1ccc(N2CCN(c3nc(Nc4ccc(I)cc4)ncc3[N+](=O)[O-])CC2)cc1 1871310225 QANQCJRMWQPMBJ-UHFFFAOYSA-N 532.342 4.068 10 10 KICE COc1ccc(CCN2C(=O)C(NC[C@H]3CCCO3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1OC 1873166570 RYKWQNBCRLYCBP-RUZDIDTESA-N 529.637 4.203 10 10 KICE CCOC(=O)c1ccc(N2NC(=O)C(=Cc3cc(Br)cc(Br)c3OCC)C2=O)cc1 2297321520 MKMIMCORGHKYJD-UHFFFAOYSA-N 538.192 4.248 10 10 KICE COc1cc(C=C2C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)ccc1OCc1cccc(C(=O)O)c1 2313545965 SCQOTMKHXWPSEC-UHFFFAOYSA-N 500.507 4.256 10 10 KICE COC(=O)Nc1ccc(-n2c(C)cc(/C=C3\NC(=O)N(CC(=O)Nc4ccc(C)cc4)C3=O)c2C)cc1 33609392 ADTRGXICHSXVRC-UCQKPKSFSA-N 501.543 4.112 10 10 KICE C[C@@H]1CN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(Cc3ccccc3Cl)C2=O)C[C@@H](C)O1 100851194 NXSNNHXODKETCC-WKVLGULQSA-N 527.071 4.363 10 10 KICE CCOC(=O)N1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N(CCCc3ccccc3)C2=O)CC1 102551448 ZBBVBZMCSDVFCZ-FCDQGJHFSA-N 577.732 4.115 10 10 KICE CCOc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC(C)C)ccc1OC(=O)c1cccs1 104562488 IRGJSVAWWIWPFP-XJWHVNBWSA-N 546.652 4.013 10 10 KICE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CCC(=O)O)C2=O)c1 110557619 OPUWLAKWTCAEHE-CJLVFECKSA-N 570.718 4.246 10 10 KICE CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)c1ccc(OC)cc1)=C(N)O2 1864014570 YOHUKTZRKWGDDU-CRICUBBOSA-N 541.608 4.212 10 10 KICE C[C@H](NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2C)[C@H]1c1ccc(O)c(O)c1)C12CC3CC(CC(C3)C1)C2 1864014941 GPLGINGGRSNJJO-DWWIWFBASA-N 532.563 4.266 10 10 KICE CCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC13CC4CC(CC(C4)C1)C3)=C(N)O2 1864019081 VPAITFXIIAHONL-LIGVHCMKSA-N 527.625 4.021 10 10 KICE CC[C@](C)(NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867922246 GPHYQEHOAKUDFZ-SJHOIFEDSA-N 599.732 4.384 10 10 KICE CC[C@@H](NC(=O)Cc1nc(-c2cccc(Cl)c2)oc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868648299 MRXOSMSXYSDXQF-HSZRJFAPSA-N 511.022 4.098 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)c4cncc(C)c4)n(-c4ccc(Cl)cc4)n3)CC2)cc1 1869971147 ZHVOBRFLEVAXBX-UHFFFAOYSA-N 503.994 4.212 10 10 KICE CCOCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCc2ccc(OC)cc2)C1=O 1873170444 ZSJUTZSQCCFAID-UHFFFAOYSA-N 501.627 4.442 10 10 KICE CCOC(=O)c1ccccc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCN(C)C)C1=O 1873421412 WFMDVDWFGYWGDK-UHFFFAOYSA-N 500.599 4.024 10 10 KICE CCOC(=O)c1ccc(-c2ccc(C=C3C(=N)N4N=C(CC(=O)N5CCCCC5)SC4=NC3=O)o2)cc1 2296073434 ABEDZODYSSUXCB-UHFFFAOYSA-N 519.583 4.145 10 10 KICE O=C1C(=Cc2c(N3CCN(Cc4ccccc4)CC3)nc3ccccn3c2=O)SC(=S)N1C1CCCC1 2296697850 SEPBDHIEPNNESO-UHFFFAOYSA-N 531.707 4.161 10 10 KICE COc1ccccc1OCCOc1ccc([N+](=O)[O-])cc1C=C1C(=N)N2N=C(C(C)C)SC2=NC1=O 2296741791 XJZYBSZTLZGVIQ-UHFFFAOYSA-N 509.544 4.336 10 10 KICE CCOc1cc(C=C2C(=O)NN(c3ccccc3)C2=O)ccc1OCCOCCOc1cccc(C)c1 2297306671 ZXJLIXBZIIZRLN-UHFFFAOYSA-N 502.567 4.330 10 10 KICE Cc1ccc2nc(N3CCN(c4ccccc4F)CC3)c(/C=C3/SC(=S)N(C(C)C)C3=O)c(=O)n2c1 1451397 MQDJEMXJVJIDIL-KGENOOAVSA-N 523.659 4.078 10 10 KICE COc1ccc(/C=C/C(=O)Nc2ccc3nc(N4CCN(c5ncccn5)CC4)cc(C)c3c2)cc1OC 3650091 LDFFBJSMFUGXCD-UXBLZVDNSA-N 510.598 4.329 10 10 KICE CCCN(CCC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCS(=O)(=O)O)C2=O)c1 150443165 GNTYXZOGJDNNJU-MOHJPFBDSA-N 634.827 4.439 10 10 KICE Cc1ccsc1CN(C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S)[C@@H]1CCS(=O)(=O)C1 207324707 SZOLFGXGTPAOKL-YAJBTMAUSA-N 540.779 4.315 10 10 KICE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccnc1)=C(N)O2 1864012651 FXQGPKQWNPATBT-XMMPIXPASA-N 546.027 4.355 10 10 KICE CCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(F)cc1)=C(N)O2 1864017124 GAJQFQRFGQQUFM-RUZDIDTESA-N 544.583 4.047 10 10 KICE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(-c5ccccc5)nn4C)[C@H]3c3cccc(C)c3)CC2)cc1 1865563998 CRNTXZFBHDZXGO-AREMUKBSSA-N 535.648 4.448 10 10 KICE CC[C@](C)(NC(=O)c1c(OC)cccc1OC)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867366620 QYDIJRVUJHFQKQ-IADCTJSHSA-N 510.679 4.012 10 10 KICE CN(C)c1ccc([C@@H](CNC(=O)C(C)(C)NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)N2CCCCC2)cc1 1867615685 DFFYXDGSHHZCCW-SSEXGKCCSA-N 595.744 4.401 10 10 KICE CC[C@H](NC(=O)c1ccc2nc(C)c(C)nc2c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867683753 AMYNGMRLNQXPHZ-LBNVMWSVSA-N 516.690 4.164 10 10 KICE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4cccc(F)c4)cn3Cc3cccnc3)CC2)cc1 1870614864 FZPCXOLOSQHAHY-UHFFFAOYSA-N 514.601 4.341 10 10 KICE CCCCOCCCNc1ncnc2c1cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2CCCOC 1875220714 XWQVUQLHVKPMIJ-UHFFFAOYSA-N 538.693 4.058 10 10 KICE O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)[C@H]1CCCN1S(=O)(=O)c1c(Cl)cccc1Cl 1892118784 UQPUNURQIIZTLY-LQBOVUBWSA-N 508.471 4.452 10 10 KICE COc1cc(C=C2SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 2296537291 AHXRZZAMWIGREZ-KRWDZBQOSA-N 500.554 4.203 10 10 KICE COc1cc(C=C2SC(=S)N(Cc3ccco3)C2=O)ccc1OCC(=O)Oc1ccc(C=O)cc1OC 2314397322 AVUJTHQJXLTUPY-UHFFFAOYSA-N 539.587 4.495 10 10 KICE COc1ccc(CCN2C(=O)C(=Cc3c(N4C[C@H](C)O[C@H](C)C4)nc4ccc(C)cn4c3=O)SC2=S)cc1 2314400149 IYVYXKQPJRKCPF-KDURUIRLSA-N 550.706 4.069 10 10 KICE CCOc1cc(/C=C2/SC(=S)N(CCCC(=O)OC)C2=O)cc(Br)c1OCC(=O)N(CC)CC 101742352 FOUPGZWVXKJVJR-QGOAFFKASA-N 573.531 4.249 10 10 KICE CCCOC(=O)CCCN1C(=O)/C(=C\c2ccc(OCC(=O)N3CCCCC3)c(OCC)c2)SC1=S 101743047 UQPWDFIUIQPUQB-OQKWZONESA-N 534.700 4.411 10 10 KICE COc1cccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(c5ccncc5)SC4=NC3=O)cc2OC)c1 102470434 XAHRBQGCNLDPCQ-AHXGQMSJSA-N 529.578 4.224 10 10 KICE NS(=O)(=O)c1ccc(N2C(=O)C(O)=C(c3ccc(Cl)c(Cl)c3)[C@H]2c2ccc(O)c(O)c2)cc1 526314150 OKBJTJNWOZVWPV-HXUWFJFHSA-N 507.351 4.109 10 10 KICE CC(C)c1nc2c(Cl)cc(C(F)(F)F)cn2c1/C=C1/SC(=S)N([C@@H](C(=O)O)[C@@H](C)O)C1=O 1858596070 OEYVVCSBQIKAEQ-CVJPQZNYSA-N 507.943 4.165 10 10 KICE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(F)cc1)=C(N)O2 1864009941 GCEHTFLNBKSLCA-XMMPIXPASA-N 514.557 4.386 10 10 KICE Cc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H]1CCCC[C@H]1C)=C(N)O2 1864011082 ZAJLEUYNGSJSNQ-VEQVNTQVSA-N 506.578 4.180 10 10 KICE CCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)cc2)[C@H]1c1ccc(O)c(O)c1 1864016518 RHUXGKKFGVWLBL-JOCHJYFZSA-N 516.985 4.494 10 10 KICE CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(OC)cc1)=C(N)O2 1864016898 AAXPRRXLPKBKBX-AREMUKBSSA-N 540.620 4.216 10 10 KICE CCc1nn(C)c2c1[C@@H](c1ccc(C(C)C)cc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865159872 TYDXABPCCWSNSU-RUZDIDTESA-N 515.658 4.158 10 10 KICE Cc1nc(C)c(CC(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)s1 1866571147 USGCMBQPHWKYGF-XMMPIXPASA-N 523.614 4.444 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](CSCc3ccccc3)NC(=O)Cc3sc(C)nc3C)CC2)cc1 1868581546 BWFKUVBBTHTPIF-VWLOTQADSA-N 538.739 4.078 10 10 KICE COc1ccc(N2CCN(c3cc(N(Cc4ccccc4)C(=O)[C@@H]4CCCN4)nc(C(C)(C)C)n3)CC2)cc1 1869179386 YTDQUKKXQCUDTD-SANMLTNESA-N 528.701 4.395 10 10 KICE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccc(C)cc4)cn3CCc3cnc[nH]3)CC2)cc1 1870770268 CYPXXVYXXSRQRE-UHFFFAOYSA-N 513.642 4.032 10 10 KICE COc1ccc(Nc2nc(=NCc3cccc(C)c3)nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]2)cc1 1871560941 OHZVRPWUIOMXEH-UHFFFAOYSA-N 511.630 4.301 10 10 KICE Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(C=C2C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)c1C 2296938942 XEBARKBJMKCVLP-UHFFFAOYSA-N 533.614 4.333 10 10 KICE Cc1cccc(N2C(=O)NC(=O)C(=CNc3ccc(Cl)c(CN4C(=O)c5ccccc5C4=O)c3)C2=O)c1 2297453673 IVXUKXVOMKSHNJ-UHFFFAOYSA-N 514.925 4.023 10 10 KICE COc1ccc(C(=O)N2CCN(c3ccc(NC(=O)C=Cc4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cc3)CC2)cc1 2313785010 AJFCIJWLKHDXPW-UHFFFAOYSA-N 571.634 4.054 10 10 KICE Cc1ccc(CNC(=O)CN(CCNC(=O)OC(C)(C)C)Cc2ccccc2)c(O)c1Br 2327582429 GZVJSHKKANNYLR-UHFFFAOYSA-N 506.441 4.106 10 10 KICE CCN(CC)c1ccc(CN(C(=O)NC(C)C)C2CC2)c(OS(=O)(=O)c2ccc(NC(C)=O)cc2)c1 37423750 RQKAHLDHYGSWQF-UHFFFAOYSA-N 516.664 4.341 10 10 KICE CC1CCN(C2=NC(=O)/C(=C\c3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N(C)C)c3)S2)CC1 102994095 ZOFMHSZGAINRQK-JJIBRWJFSA-N 535.695 4.492 10 10 KICE CCOc1c(I)cc(/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1OC 103814545 OBSMGKDSRFNNRN-AUWJEWJLSA-N 526.714 4.018 10 10 KICE CCc1cccc(CC)c1N1C(=O)[C@H]2[C@H](C1=O)[C@@](Cc1ccccc1)(C(=O)O)N[C@H]2c1ccc(N(C)C)cc1 248034053 ITSFEZCUVYRWDX-XTQYNZLPSA-N 525.649 4.394 10 10 KICE CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1ccc(OCC)cc1 254797671 LUALQZHHEXBQBW-LJAQVGFWSA-N 553.684 4.400 10 10 KICE CCN(CC)c1ccc([C@@H]2C(c3cccs3)=C(O)C(=O)N2c2ccc(S(=O)(=O)NC(C)=O)cc2)cc1 526139211 MHLRNEOGOHWQQM-XMMPIXPASA-N 525.652 4.476 10 10 KICE CC(=O)Nc1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)c2C)cc1 1084067644 CMBGYVJUZMPJHN-XKZIYDEJSA-N 521.371 4.481 10 10 KICE CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(C)cc1)=C(N)O2 1864018359 JIPVXEMYUQSXFC-SANMLTNESA-N 542.611 4.406 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)Cc3nc(-c4ccccc4Cl)oc3C)C(C)C)CC2)cc1 1868646085 GXLXLZNNQLIAQJ-AREMUKBSSA-N 525.049 4.344 10 10 KICE COc1ccc(N2CCN(c3nc(=NCc4ccccc4F)nc(Nc4ccc(F)cc4)[nH]3)CC2)cc1 1871519426 FKLAGVNGCNFVMC-UHFFFAOYSA-N 503.557 4.263 10 10 KICE O=C(CN1C(=O)/C(=C2/SC(=S)N(Cc3ccccc3)C2=O)c2ccccc21)NCCc1ccccc1 2533749 ZPZYOMWANSKFEG-OCOZRVBESA-N 513.644 4.164 10 10 KICE COc1cc(/C=C2/C(=O)NC(=O)N(c3cc(C)c(C)cc3Br)C2=O)cc(I)c1O 103814591 CQVWVVMEUFUTQZ-SDQBBNPISA-N 571.165 4.051 10 10 KICE C[C@H]1CN(C2=NC(=O)/C(=C\c3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N4C[C@H](C)O[C@H](C)C4)c3)S2)C[C@@H](C)O1 110558427 RUSYVENEAPWPLL-ICEIXRMNSA-N 621.785 4.417 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Cl)c4cc(OC)ccc4n3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 1083960194 SVFPKJHOYAYXDH-AREMUKBSSA-N 563.079 4.075 10 10 KICE CC1(C)COCCC[C@@H]2CN(Cc3ccc(O)c(O)c3)CC[C@H]2CC(=O)N(Cc2ccccc2)C[C@H]1O 1614974525 KWARYTRRTLXNEV-BXTSTYNKSA-N 510.675 4.152 10 10 KICE CCC(=O)O[C@@H]1[C@H](n2ccc(O)nc2=O)O[C@](CO[P@]2(=O)OCC[C@@H](c3cccc(Cl)c3)O2)(N=[N+]=[N-])[C@@H]1OC(=O)CC 1772502523 DOIJDQFWSCXUHP-FXZBXNAFSA-N 627.931 4.084 10 10 KICE COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCCCCc2ccccc2)[C@@H]3c2ccc(O)c(O)c2)cc1 1864006946 BFPKDZUDPHGOIW-HHHXNRCGSA-N 540.620 4.434 10 10 KICE Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC13CC4CC(CC(C4)C1)C3)=C(N)O2 1864007359 LFMLLLOLMCDLNG-XUFKOGCOSA-N 512.610 4.372 10 10 KICE Cc1cc(C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)ccc1[N+](=O)[O-] 1867871195 LHFWJMHWNXBDBQ-PQHLKRTFSA-N 573.694 4.359 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)CCC(=O)c3ccc(C)cc3C)CC2)cc1 1868936944 LBOGAXWVBPYSEH-LJAQVGFWSA-N 527.665 4.351 10 10 KICE CCCc1ccc(OCC(=O)Nc2nc(N3CCN(c4ccc(OC)cc4)CC3)nn2C(C)(C)C)cc1 1869970462 JWGQNMWIIFQWOJ-UHFFFAOYSA-N 506.651 4.338 10 10 KICE CCN(CC)CCN1C(=O)C(NCc2ccc3c(c2)OCO3)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873167917 CPYISUWFURLJDU-UHFFFAOYSA-N 514.626 4.034 10 10 KICE Cc1ccc([N+](=O)[O-])cc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCN(C)C)C1=O 1873421449 YTAOUKDRYQSULA-UHFFFAOYSA-N 501.587 4.454 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)CCc3ccccc3C)CC2)cc1 1874642517 GQQAIWDMOJAMST-PMERELPUSA-N 524.665 4.494 10 10 KICE CCOc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(I)c1OCC 2313559123 RJYBEZYZMIWXSP-UHFFFAOYSA-N 540.354 4.059 10 10 KICE CCOCCCNc1cc(N2CCN(C(=O)c3ccco3)CC2)c2noc3c2c1C(=O)c1ccccc1-3 20857868 BPSKFGDIDYSGCZ-UHFFFAOYSA-N 500.555 4.433 10 10 KICE CN(C)c1ccc(CN2CCN(Cc3nc(C(=O)NCc4cccc(C(F)(F)F)c4)co3)CC2)cc1 34678007 HGNOYBJONWQGTC-UHFFFAOYSA-N 501.553 4.007 10 10 KICE COc1ccc(/C=C2\SC(=S)N(CCCC(=O)N(Cc3sccc3C)[C@H]3CCS(=O)(=O)C3)C2=O)cc1 101266775 SORVLHCTOFBHOD-BJLUOBIUSA-N 564.776 4.262 10 10 KICE CCCCn1c(N2CCN(CC)CC2)c(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c(C)c(C#N)c1=O 110528822 IZEMOLOXUDKXPN-PLRJNAJWSA-N 549.766 4.414 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)cc3)c(=O)n2[C@@H]1/C=C/c1ccccc1 254294253 MTMMWWZCWPGIKB-NCAIXYOSSA-N 501.652 4.310 10 10 KICE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)c3ccc4[nH]c(-c5ccc(C)cc5)nc4c3)CC2)cc1 1862098148 KLCIKPWHKGNENO-UHFFFAOYSA-N 511.626 4.404 10 10 KICE Cc1cccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3Cc3cccc(F)c3)[C@@H]2c2ccc(O)c(O)c2)c1 1864012121 RPVHTCCQESRHAL-VWLOTQADSA-N 514.557 4.110 10 10 KICE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)N2CCCC2)=C(N)O3)cc1 1865033792 IDGKVQZMHAFHSY-DEOSSOPVSA-N 524.577 4.276 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)Cc3nc(-c4cccc(Br)c4)oc3C)C(C)C)CC2)cc1 1869005261 YHNBSBOREUGWHA-AREMUKBSSA-N 569.500 4.453 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCCOC(C)C)C(=O)N(CCc3nc4ccccc4[nH]3)C2=O)cc1 1873165267 FLPJLCHDSNOUIQ-UHFFFAOYSA-N 511.626 4.308 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccccc3N3CCOCC3)C(=O)N(CCc3cnc[nH]3)C2=O)cc1 1873426260 RXSMQPXJUJJOTA-UHFFFAOYSA-N 536.636 4.089 10 10 KICE CC(=O)Nc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C3CCN(C)CC3)C2=O)cc1 1873427156 DVTAUMJVQWHKPG-UHFFFAOYSA-N 511.626 4.339 10 10 KICE CCOc1c(I)cc(I)cc1C=C1C(=O)NC(=O)N(c2ccccc2C)C1=O 2313547917 GMVSPAGYDCGYPN-UHFFFAOYSA-N 602.166 4.269 10 10 KICE Cc1ccc(N(CC(=O)Nc2ccc(Br)c(C)c2)S(=O)(=O)c2cccc3nonc23)cc1 9837867 KVGBAIAZEUVWSM-UHFFFAOYSA-N 515.389 4.436 10 10 KICE CCCn1c(N2C[C@@H](C)C[C@@H](C)C2)c(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c(C)c(C#N)c1=O 39990138 QXBLVQHMEYCWMM-NYJFEVAISA-N 514.717 4.301 10 10 KICE COc1ccc(CN2C(=O)/C(=C\c3c(N4C[C@H](C)O[C@H](C)C4)nc4c(C)cccn4c3=O)SC2=S)cc1 100851107 HYCJNHNIBLDQHY-CSQAQZOFSA-N 536.679 4.027 10 10 KICE COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)ccc1OCc1ccc(C(=O)O)cc1 103860040 IIXYMXMSSMDAHU-RGVLZGJSSA-N 551.349 4.401 10 10 KICE COc1ccc(/C=C2/SC(=S)N(CC(=O)NC[C@H](c3ccc(OC)cc3)N3CCCCC3)C2=O)cc1 205608595 LGAKKHHXWAFSBM-DIVQNALZSA-N 525.696 4.248 10 10 KICE CCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)C1CCCCC1)=C(N)O2 1865032724 JEWWLPSOUJVLFU-DEOSSOPVSA-N 518.614 4.340 10 10 KICE COc1ccc(N2CCN(c3cc(N(C(=O)OC(C)(C)C)C4CCNCC4)nc(-c4cccnc4)n3)CC2)cc1 1868003827 WSTGFYILLKARSD-UHFFFAOYSA-N 545.688 4.367 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)Cc3csc(COc4ccccc4)n3)CC2)cc1 1868593799 DQDRAZGQOFFFPP-LJAQVGFWSA-N 570.715 4.350 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)C[C@H](c3ccc4c(c3)OCCO4)C3CC3)CC2)cc1 1868692609 CVGQXTVMEQWSEJ-KYJUHHDHSA-N 569.702 4.426 10 10 KICE CCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCC[C@H](CS(=O)(=O)c3ccccc3)C2)n1 1869216485 WKDZITVWPKVGPT-DEOSSOPVSA-N 549.741 4.455 10 10 KICE COc1ccc(CCN2C(=O)C(NCCCCN(C)C)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873167451 ICKSYGMSZJQKIP-UHFFFAOYSA-N 514.670 4.357 10 10 KICE COc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCn3ccnc3)C2=O)c([N+](=O)[O-])c1 1873423175 IGLRDAKKEOXOMU-UHFFFAOYSA-N 540.580 4.490 10 10 KICE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(OCc2ccc3c(c2)OCO3)c(I)c1 2313558392 ZQHBZQNMSGBPIU-UHFFFAOYSA-N 586.313 4.404 10 10 KICE CCCn1c(=O)/c(=C2\C=Cc3ccccc3N2CC)s/c1=C1/SC(=S)N(c2ccc(C)cc2)C1=O 33668579 GYVOAZVODQCFHQ-CYQXFOKBSA-N 519.717 4.463 10 10 KICE CCCOC(=O)CCN1C(=O)/C(=C\c2ccc(OCC(=O)N3CCCCC3)c(OCC)c2)SC1=S 40938281 TYPSHVAWQBQOIF-LTGZKZEYSA-N 520.673 4.021 10 10 KICE CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(OCCSc4ccc(C)cc4)c(OC)c3)C(=O)N=C2S1 101398343 RQSMKPAWTACBKA-MRKXPFMVSA-N 544.680 4.186 10 10 KICE CCN(CC)c1ccc(CN[C@H]2C[C@@H](C(=O)NCCc3ccc4c(c3)OCO4)N(Cc3ccccc3)C2)cc1 102533799 BVXGVBBLYZXLGE-YTMVLYRLSA-N 528.697 4.353 10 10 KICE COC(=O)c1cc(-c2ccc(/C=C3/C(=O)N(c4ccc(S(N)(=O)=O)cc4)N=C3C(F)(F)F)o2)ccc1Cl 103638546 DZVHSKPKCCQXPP-GZTJUZNOSA-N 553.902 4.383 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC(=O)c4ccc(OC)cc4)cc3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 1084020827 LTTWGRCGFKVBBO-GDLZYMKVSA-N 597.693 4.092 10 10 KICE Cc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(Cl)cc1)=C(N)O2 1864012039 PSPJKIAWSCPCMB-XMMPIXPASA-N 534.975 4.455 10 10 KICE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCOc1ccccc1)[C@H]2c1ccc(O)c(O)c1 1864016634 UKGGFARHIJARGW-DEOSSOPVSA-N 526.593 4.261 10 10 KICE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)NC2CC2)=C(N)O3)cc1 1864017623 QEDIPHUBVHOTJH-XMMPIXPASA-N 542.567 4.131 10 10 KICE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)N2CCC[C@@H](C)C2)[C@@H]3c2ccc(O)c(O)c2)c1 1865027776 KYYDBPKADKKYFF-CRICUBBOSA-N 502.615 4.221 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccncc3)c3ccccc3)CC2)cc1 1868668829 HBVKLRSNTDTWHJ-AJQTZOPKSA-N 548.687 4.493 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCNC(=O)[C@H]4c4cn(C)c5ccccc45)nc(C(C)(C)C)n3)CC2)cc1 1869194742 CYZXLTVRWWJDDE-GDLZYMKVSA-N 553.711 4.279 10 10 KICE COc1ccc(N2CCN(c3cc(N4C[C@H](C)OCC4(C)C)nc(-c4cccc(OC)c4)n3)CC2)cc1 1869304842 JZCHFGVFTCLCTG-NRFANRHFSA-N 503.647 4.491 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3cc(F)ccc3F)C(=O)N(CCCN3CCOCC3)C2=O)cc1 1873426261 XYLLVLKWLVDQQC-UHFFFAOYSA-N 520.580 4.287 10 10 KICE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2Br)C(=O)NCCCC(=O)O)cc1 2297299229 WSXIOUOCUMJBOS-UHFFFAOYSA-N 502.409 4.047 10 10 KICE O=C1C(=Cc2c(NC3CCCC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccc2c(c1)OCO2 2314413852 JCSKDLXQSBFTKM-UHFFFAOYSA-N 506.609 4.179 10 10 KICE COc1ccc(CCN2C(=O)/C(=C\c3c(N4CCCCC4)nc4c(C)cccn4c3=O)SC2=S)cc1OC 100885041 SYRCAHXHXNUFPG-HAVVHWLPSA-N 550.706 4.454 10 10 KICE Cc1ccsc1CN(C(=O)CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)[C@H]1CCS(=O)(=O)C1 207325482 RUABSXDQMIDXAN-LPGQDOADSA-N 538.713 4.003 10 10 KICE Cc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H]1CCCC[C@@H]1C)=C(N)O2 1864011080 ZAJLEUYNGSJSNQ-CCQPRUGESA-N 506.578 4.180 10 10 KICE COc1ccc(-c2nn(C)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)NC2CCCCCCC2)=C(N)O3)cc1 1864022019 IPLKXFQKCUYDOE-QHCPKHFHSA-N 518.614 4.431 10 10 KICE NC1=C(C(=O)N2CCCCC2)[C@@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(Cc3ccccc3F)c2O1 1865034100 PHUUQYPREQASSM-IBGZPJMESA-N 532.494 4.208 10 10 KICE CCc1nn(CC)c2c1[C@H](c1ccccc1Cl)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865167009 HOTINEXNOZXONK-QHCPKHFHSA-N 522.049 4.171 10 10 KICE CC(=O)Oc1ccc(C[C@@H](NC(=O)c2cccc(OC(C)=O)c2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867300933 AFCIZMONJPCEDM-CZNDPXEESA-N 614.743 4.288 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)[C@@H](Cc3ccncc3)c3ccccc3)CC2)cc1 1868673669 PWXSKXUFBFKDND-AJQTZOPKSA-N 564.686 4.198 10 10 KICE CCOC(=O)c1nn(Cc2cccc(C(F)(F)F)c2O)c(C(F)(F)F)c1I 2079257377 NUKFVYCCFKEQNS-UHFFFAOYSA-N 508.156 4.456 10 10 KICE CC(C)CCN1C(=O)C(=Cc2c(N3CCN(c4ccccc4F)CC3)nc3ccccn3c2=O)SC1=S 2296183325 CGGICVZGMLQFBV-UHFFFAOYSA-N 537.686 4.408 10 10 KICE CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)C1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 2297310655 OPTJAKIZORNOMU-UHFFFAOYSA-N 531.344 4.071 10 10 KICE O=C1C(=Cc2ccc(F)cc2)SC(=S)N1CCC(=O)N(Cc1c(F)cccc1Cl)[C@@H]1CCS(=O)(=O)C1 2314603317 FKCHQMFBZDMJSX-QGZVFWFLSA-N 571.092 4.425 10 10 KICE CCCC[C@H](CC)CN1C(=O)/C(=C/c2c(N3CCOCC3)nc3c(C)cccn3c2=O)SC1=S 33492726 FJJKSKWGLNSZQE-BAOGPQIGSA-N 500.690 4.257 10 10 KICE COc1ccc(N2CCN(c3nc(SCc4ccc(C(=O)N5CCOCC5)cc4)nc(C)c3C)CC2)cc1 36064162 XVMDOFKFEMRKSC-UHFFFAOYSA-N 533.698 4.193 10 10 KICE COc1ccccc1/C=C1\N=C(c2ccccc2)N(c2ccc3c(S(=O)(=O)O)cccc3c2S(=O)(=O)O)C1=O 100288275 BGBTWIBPXZVQAN-PGMHBOJBSA-N 564.597 4.176 10 10 KICE COc1ccccc1/C=C1/SC(=S)N(CCC(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)C1=O 102783617 JBJLCKKRGZERTK-XMHGGMMESA-N 560.704 4.183 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 254844732 PBAJXZHZGLGZMY-SSEXGKCCSA-N 628.707 4.360 10 10 KICE CCN(CC)c1ccc([C@H]2C(c3ccc(OC)cc3OC)=C(O)C(=O)N2c2ccc(S(N)(=O)=O)cc2)cc1 526312448 BEPCGZGIWLNKDA-SANMLTNESA-N 537.638 4.255 10 10 KICE COc1ccc([C@@H](C)NC(=O)C2=C(N)Oc3c(c(C)nn3Cc3cccc(F)c3)[C@@H]2c2ccc(O)c(O)c2)cc1 1864011678 JWTWZRBGXYKJLV-DXPJPUQTSA-N 544.583 4.371 10 10 KICE CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(F)cc1)=C(N)O2 1864017580 PIDUWXVUNFBHFD-RUZDIDTESA-N 528.584 4.347 10 10 KICE CCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2Cc2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1 1864017655 QWOIZMHGIFADTE-XMMPIXPASA-N 526.593 4.157 10 10 KICE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)NC(C)C)=C(N)O3)cc1 1864022758 QLLDYZTYVZTTLB-DEOSSOPVSA-N 526.593 4.487 10 10 KICE COc1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c(Br)c(OC)c1OC 1865883435 GRVOUYVAZDRHTN-FQEVSTJZSA-N 520.468 4.498 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)CC(C)C)n(-c4ccc(Br)cc4)n3)CC2)cc1 1869970483 KPIJRLRFALSISR-UHFFFAOYSA-N 513.440 4.350 10 10 KICE CCOCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCc2nc3ccccc3[nH]2)C1=O 1873170257 SNFKYQJVLCSKPN-UHFFFAOYSA-N 511.626 4.309 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3cccc(N(C)C)c3)C(=O)N(CCCN3CCOCC3)C2=O)cc1 1873425581 GOPBMEPVPCBNOE-UHFFFAOYSA-N 527.669 4.074 10 10 KICE COc1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)ccc1OCCCOc1cc(C)ccc1C 2296563736 JYSYKFDTEKMOCX-UHFFFAOYSA-N 504.539 4.415 10 10 KICE O=C1NC(=S)N(c2ccc(Cl)cc2Cl)C(=O)C1=Cc1cc2c(cc1Br)OCO2 2297322257 OIVPQGGFIRBYKY-UHFFFAOYSA-N 500.157 4.316 10 10 KICE CCN(CC)C(=O)COc1ccc(C=C2SC(=S)N(C[C@H](c3ccc(OC)cc3)N(C)C)C2=O)cc1 2323879738 BSVIGWZIXQIAOM-HSZRJFAPSA-N 527.712 4.447 10 10 KICE CC[C@](C)(NC(=O)C=C(C)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 2331922434 GDKICXKSFWMMJU-HKBQPEDESA-N 573.671 4.039 10 10 KICE C[C@@H](C(=O)Nc1ccc(C(=O)O)cc1)N1C(=O)/C(=C/c2cc(Br)ccc2O)SC1=S 15047322 ABXQHXFNLSKNTA-XBTXGSBDSA-N 507.387 4.081 10 10 KICE CC[C@@H](C)N1C(=O)/C(=C\c2c(N3CCN(c4ccccc4)CC3)nc3ccccn3c2=O)SC1=S 33688556 IUHITAKGNVFRGX-DTBMRADHSA-N 505.669 4.021 10 10 KICE COc1ccc(CN2C(=O)/C(=C/c3c(C)c(C#N)c(=O)n(C)c3N3CCC[C@H](C)C3)SC2=S)cc1 33812139 IXZBOHYDGTUOGB-BDQMVGTNSA-N 508.669 4.212 10 10 KICE CCN(CC)c1ccc(CN(C[C@@H](O)COc2ccc(Cl)cc2Cl)[C@@H]2CCS(=O)(=O)C2)cc1 40317850 BJODLBDZHUHZIH-FGZHOGPDSA-N 515.503 4.269 10 10 KICE O=C1c2ccccc2C(=O)c2cc(CN3C(=O)[C@@H]4[C@@H](c5ccc(-c6ccccc6)cc5)N[C@@H](C(=O)O)[C@H]4C3=O)ccc21 105342805 GGHMOWKTCFFZFF-QUAHOIDUSA-N 556.574 4.028 10 10 KICE CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1cccs1 254846677 ZZWKLWAMYDIWQS-RUZDIDTESA-N 515.660 4.063 10 10 KICE OC1=C(c2ccc(O)c(O)c2)Oc2c(c(O)cc(O)c2C2=C(O)[C](c3ccc(O)c(O)c3)Oc3cc(O)cc(O)c32)C1 1616183549 QHJHIMMIPNNLLN-UHFFFAOYSA-N 573.486 4.483 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)c3ccc(OCC(C)C)cc3)CC2)cc1 1862263653 PNTKIHLCBCJJDP-GDLZYMKVSA-N 515.654 4.420 10 10 KICE Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(Cl)c1)=C(N)O2 1864008482 LCGAYEFBLHRVKJ-DEOSSOPVSA-N 516.985 4.315 10 10 KICE CCCn1nc(C)c2c1OC(N)=C(C(=O)N[C@H](C)c1ccc3c(c1)CCCC3)[C@H]2c1ccc(O)c(O)c1 1864010038 NQQGZZDKHHVQLZ-CPJLOUKISA-N 502.615 4.464 10 10 KICE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)c1ccc(OC)cc1)=C(N)O2 1864014534 XMJOTPCKQHCBJP-OSPHWJPCSA-N 520.630 4.483 10 10 KICE NC1=C(C(=O)NCc2ccco2)[C@@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(Cc3cccc(F)c3)c2O1 1864015174 LHQBDHXJHLTZBT-IBGZPJMESA-N 544.461 4.105 10 10 KICE NC1=C(C(=O)NCc2cccs2)[C@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(Cc3ccccc3)c2O1 1864015227 MRXIHQAEOAXXIW-LJQANCHMSA-N 542.539 4.434 10 10 KICE NC1=C(C(=O)NC2CC2)[C@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(Cc3ccc(F)cc3)c2O1 1864016678 VGVOCTSQXPKGFO-HSZRJFAPSA-N 512.541 4.122 10 10 KICE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H]1CCCO1)=C(N)O2 1864017408 LOVWHTASLCAPER-BTYIYWSLSA-N 545.423 4.143 10 10 KICE Cc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@@H](C)C1)=C(N)O2 1865027321 GQPCCDRVYMIXJY-HUYGQZFBSA-N 509.006 4.444 10 10 KICE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)N1C[C@@H](C)C[C@@H](C)C1)[C@@H]2c1ccc(O)c(O)c1 1865033780 HYAYXFYBVIJORJ-SAHWJRBASA-N 518.614 4.189 10 10 KICE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)N2CCCCC2)=C(N)O3)cc1 1865034240 RZIOPZAYOROTNJ-DEOSSOPVSA-N 539.592 4.061 10 10 KICE CCC[C@@H](NC(=O)c1cc(OC)cc(OC)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867391253 KVBXNJNSWIOGIY-SXOMAYOGSA-N 510.679 4.012 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCN(C(=O)C5CCCCC5)CC4)nc(-c4cccnc4)n3)CC2)cc1 1869367423 HNFJOTYGSZXYCE-UHFFFAOYSA-N 541.700 4.103 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCCOc3ccccc3)C(=O)N(CCCCN(C)C)C2=O)cc1 1873164594 IVUUMYAJPVCAHB-UHFFFAOYSA-N 500.643 4.184 10 10 KICE O=C(O)CCCN1C(=O)C(=C2C(=O)N(Cc3ccccc3)c3ccc(Br)cc32)SC1=S 2040510539 BEXMTSMKZLWVEP-UHFFFAOYSA-N 517.426 4.432 10 10 KICE Cc1cc(N2C(=O)NC(=O)C(=Cc3c(C)nn(-c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3C)C2=O)ccc1Br 2313548033 JHZZVCOMQSPDJX-UHFFFAOYSA-N 569.328 4.043 10 10 KICE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1O 2313548910 IPPNVOIMNUNQRZ-UHFFFAOYSA-N 524.165 4.291 10 10 KICE COc1ccc(CN2C(=O)C(=Cc3c(N4CCCCCC4)nc4ccccn4c3=O)SC2=S)cc1 2314401451 YTOWSQHUVKVXEV-UHFFFAOYSA-N 506.653 4.485 10 10 KICE COc1ccc(CCN2C(=O)/C(=C\c3ccc(-c4ccc(S(N)(=O)=O)cc4)o3)SC2=S)cc1 34990122 VGGGKIAFEHQZQY-KGENOOAVSA-N 500.623 4.047 10 10 KICE O=C(O)CCNC(=O)c1ccc(/N=N/c2cc(/N=N/c3ccc(C(=O)NCCC(=O)O)cc3)c(O)c(C(=O)O)c2)cc1 77285341 GTWSSNPLAKYAOG-RRPBDJRISA-N 576.522 4.330 10 10 KICE in-vitro N=C1/C(=C\c2ccc(OCc3ccccc3[N+](=O)[O-])cc2)C(=O)N=C2SC(CC(=O)N3CCCCC3)=NN12 103115906 VUIRRTNOAQMAEC-KXYLLZDBSA-N 532.582 4.196 10 10 KICE CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1O 103814848 IPPNVOIMNUNQRZ-QPEQYQDCSA-N 524.165 4.291 10 10 KICE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2ccccc2N2CCOCC2)[C@@H]1c1ccc(O)c(O)c1 526501573 LNGYXVPCHGJXBK-AREMUKBSSA-N 518.566 4.399 10 10 KICE CCOC(=O)c1c(NC(=O)[C@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)sc2c1CC[C@H](C)C2 1865927073 IGCXAUKPVWOAFW-WMZOPIPTSA-N 514.644 4.097 10 10 KICE CCC[C@@H](NC(=O)c1ccc(N2CCN(C(=O)C3CC3)CC2)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866894979 ZKWHAZOBMABMOQ-MUUNZHRXSA-N 578.669 4.058 10 10 KICE CSCC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(C(C)(C)C)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867511884 DAGYSDXUXACGAT-VSGBNLITSA-N 607.821 4.342 10 10 KICE CCC[C@H](NC(=O)[C@@H](Cc1ccncc1)c1ccccc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868673137 JJEJDKOLDHPOJR-NSOVKSMOSA-N 500.643 4.050 10 10 KICE CCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CC[C@H](O)C[C@@H]2c2ccc(OC)c(OC)c2)n1 1869231562 YCCAJGACCBMNTH-AZGAKELHSA-N 547.700 4.484 10 10 KICE O=C1C(=Cc2c(NC[C@@H](O)c3ccccc3)nc3ccccn3c2=O)SC(=S)N1Cc1ccc(F)cc1 2296546331 VICBLXCSBYIUPT-OAQYLSRUSA-N 532.622 4.381 10 10 KICE CCOCCCN1C(=O)C(=Cc2c(N3CCc4ccccc4C3)nc3ccc(C)cn3c2=O)SC1=S 2296849720 FIQCFBILURIJPW-UHFFFAOYSA-N 520.680 4.193 10 10 KICE Cc1ccc(N2C(=O)N=C(O)/C(=C\c3c(C)nn(-c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3C)C2=O)c(C)c1 59858726 HFJRKPLYBONVSR-WOJGMQOQSA-N 504.459 4.429 10 10 KICE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCCCOc4ccccc4)c(Cl)c3)C(=N)N21 101395738 SIYMTHKQQQESDL-NTHYWZRTSA-N 533.031 4.199 10 10 KICE COc1cc(/C=C2\SC(=S)N([C@@H]3CC(=O)N(c4ccc(S(N)(=O)=O)cc4)C3=O)C2=O)ccc1OCc1ccc(Cl)cc1 150447773 RRQDTKQTEKJXNT-FKYOTISTSA-N 644.152 4.108 10 10 KICE CCN(CC)c1ccc([C@@H]2C(c3ccc(OC)c(OC)c3)=C(O)C(=O)N2c2ccc(S(N)(=O)=O)cc2)cc1 526313647 SPZZGCBWFGJGCU-AREMUKBSSA-N 537.638 4.255 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(I)c(OC)c(I)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 1084061966 GUEIDDACJSQGPT-QFIPXVFZSA-N 729.378 4.082 10 10 KICE Cc1ccc(CNC(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3CC(C)C)[C@H]2c2ccc(O)c(O)c2)cc1 1864021313 AJBVOTMKEQZDJZ-LJQANCHMSA-N 516.520 4.289 10 10 KICE CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCC1)=C(N)O2 1865030047 AZOANGHZWLVBCX-QHCPKHFHSA-N 506.578 4.141 10 10 KICE CSCC[C@H](NC(=O)[C@@H]1CCCN1Cc1ccccc1F)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866921174 YILKPVVDYKXTRZ-UIOOFZCWSA-N 559.663 4.442 10 10 KICE CCOC(=O)C1CCN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(-c3ccc(F)cc3)n2)CC1 1867984461 YTOJIPHNFBOHLZ-UHFFFAOYSA-N 519.621 4.397 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)c3nc(C(C)(C)C)n4ccccc34)CC2)cc1 1868791704 RDNJLHMXPOCDMJ-AREMUKBSSA-N 557.670 4.469 10 10 KICE CC[C@H](C(=O)N[C@H](CCSC)C(=O)N1CCN(c2ccc(OC)cc2)CC1)c1ccc(Cl)cc1 1868834231 ADXCNJJRBUNOKB-BJKOFHAPSA-N 504.096 4.429 10 10 KICE COC(=O)C1CCC(CN2C(=O)C(NCc3cccnc3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)CC1 1873164024 IQYFXRMBTRJRPL-UHFFFAOYSA-N 526.637 4.338 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)CCc3ccccc3)CC2)cc1 1874642429 DNDVQWSCKFCQDN-LJAQVGFWSA-N 510.638 4.185 10 10 KICE COc1cc(C=C2C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(Br)cc1OCc1ccc(C(=O)O)cc1 2294284536 ANFOLQUGOKDFHR-UHFFFAOYSA-N 595.358 4.130 10 10 KICE CCOc1cc(C=C2SC(N3CCN(C4=NC(=O)C(=Cc5ccc(O)c(OCC)c5)S4)CC3)=NC2=O)ccc1O 2297325353 ZHNFPHZBUHWUIL-UHFFFAOYSA-N 580.688 4.154 10 10 KICE COC(=O)c1ccccc1-n1c(C)cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c1C 2313561005 PEGLHJOUQMYZLZ-UHFFFAOYSA-N 522.355 4.310 10 10 KICE COc1ccc(CCN2C(=O)C(=Cc3ccc(OCCC(=O)O)c(OC)c3)SC2=S)cc1OC 2314931950 JQOJCOBYXHZDMG-UHFFFAOYSA-N 503.598 4.010 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)C=Cc3ccc(Cl)cc3)CC2)cc1 2328565365 DSIOOYIOARUCBZ-MHZLTWQESA-N 520.029 4.144 10 10 KICE O=C(NN1C(=O)/C(=C\c2ccc(OCC(=O)N3CCCCC3)cc2)SC1=S)c1ccc(Cl)cc1 40940346 WTKRPCXKDYOOSR-XSFVSMFZSA-N 516.044 4.278 10 10 KICE Cn1cccc1C1=NN(C(=O)CN(CCN2CCOCC2)C(=O)c2ccccc2Cl)[C@@H](c2ccc(Cl)cc2)C1 101023944 BKQFOQQKGGOPIF-HHHXNRCGSA-N 568.505 4.484 10 10 KICE N#Cc1nc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)oc1N1CCN(Cc2ccccc2)CC1 213217454 YJBOPKAUGGOGAF-QJOMJCCJSA-N 515.664 4.312 10 10 KICE Cc1cc(/C=C2/C(=O)NC(=O)N(C3CCCCC3)C2=O)c(C)n1-c1ccc(N2CCCC2)c([N+](=O)[O-])c1 1084025906 URNUNCTVXIUEQZ-JCMHNJIXSA-N 505.575 4.397 10 10 KICE CCN(CC)C(=O)COc1ccc(-c2c(C)sc(NC(=O)C(=O)NC[C@@H](c3ccc(OC)cc3)N(C)C)c2C(=O)OC)cc1 1860763682 MWZMIBQWVHMMKQ-VWLOTQADSA-N 624.760 4.124 10 10 KICE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCCc2cn(C)c4ccccc24)[C@@H]3c2ccc(O)c(O)c2)cc1 1864007084 FVFCRGPANPORPP-MUUNZHRXSA-N 549.631 4.446 10 10 KICE CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCc1ccccc1)=C(N)O2 1864014364 SVXRWQFUIVAZHH-RUZDIDTESA-N 525.609 4.075 10 10 KICE NC1=C(C(=O)NCCc2ccccc2)[C@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3ccccc3)c2O1 1864014847 DXOITBWBHJVUPN-OAQYLSRUSA-N 536.510 4.356 10 10 KICE CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)c1ccc(OC)c(OC)c1)=C(N)O2 1864021255 NZZSVNDGEOXRCL-VOIUYBSRSA-N 536.629 4.102 10 10 KICE CCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)C[C@@H](C)C1)=C(N)O2 1865033230 VCUIJPZOPGKWNW-GGUMNFRJSA-N 502.615 4.104 10 10 KICE CC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867430806 KYKLBBWNZQUQFB-ROJLCIKYSA-N 609.771 4.443 10 10 KICE CCOC(=O)[C@H]1CCCN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(-c3ccc(F)cc3)n2)C1 1867985959 KYZMXGAKHNWYRL-QFIPXVFZSA-N 519.621 4.397 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCCCN(C)C)C(=O)N(CCc3cn(C)c4ccccc34)C2=O)cc1 1873165544 NJWKKJNWFAJXHS-UHFFFAOYSA-N 523.681 4.450 10 10 KICE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)N3CCCCC3)n4Cc3ccccc3)CC2)cc1 1873555315 SINUBFMBTXNBTK-UHFFFAOYSA-N 510.642 4.441 10 10 KICE COc1ccc(N2CCN(CCC(=O)c3ccc(OC(=O)c4ccc(OC)c([N+](=O)[O-])c4)cc3)CC2)cc1 1874748848 RUNQEMWBIAOWJS-UHFFFAOYSA-N 519.554 4.226 10 10 KICE COc1ccc(CCN2C(=O)C(=Cc3c(N4C[C@H](C)O[C@@H](C)C4)nc4c(C)cccn4c3=O)SC2=S)cc1 2296938407 KHRJEXUVGLTWEH-OALUTQOASA-N 550.706 4.069 10 10 KICE CCOc1cc(C=C2C(=N)N3N=C(S(=O)(=O)CC)SC3=NC2=O)ccc1OCc1ccccc1Cl 2297346218 NGWSOAPCILLLFV-UHFFFAOYSA-N 533.031 4.329 10 10 KICE CCOC(=O)C1CCN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(Cc3ccc(C)cc3)C2=O)CC1 2297460154 KJOXIYZURZFVCA-UHFFFAOYSA-N 548.690 4.184 10 10 KICE Cc1ccc2nc(Sc3ccc(Cl)cc3)c(C=C3SC(=S)N([C@H]4CCS(=O)(=O)C4)C3=O)c(=O)n2c1 2314401148 VFCYZOZGTLQFKV-HNNXBMFYSA-N 564.135 4.196 10 10 KICE COCCNC(=O)c1ccc(CSc2nc(C)c(C)c(N3CCN(c4ccc(OC)cc4)CC3)n2)cc1 36064156 VCBAAMNJBCUDHG-UHFFFAOYSA-N 521.687 4.097 10 10 KICE CCOC(=O)N1CCN(c2nc3ccc(C)cn3c(=O)c2/C=C2/SC(=S)N(Cc3ccccc3Cl)C2=O)CC1 100849990 PWRKHXDZZILJRK-KGENOOAVSA-N 584.123 4.336 10 10 KICE CCOC(=O)COc1c(I)cc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc1OC 101603229 UWRYIKXKWMGEAA-NVNXTCNLSA-N 535.425 4.099 10 10 KICE CC[C@@H](C)N1C(=O)/C(=C\c2c(N3CCN(c4ccc(OC)cc4)CC3)nc3ccccn3c2=O)SC1=S 102824209 IBODOQVJHLXDFF-YMNYDYPGSA-N 535.695 4.029 10 10 KICE C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)CCN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)[C@@H]2CCS(=O)(=O)C2)o1 207313616 RBINRFGENLDREK-ZWZBYRBJSA-N 562.710 4.349 10 10 KICE CCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(F)cc1)=C(N)O2 1864020489 ZYDIRWVIVXCLKG-SANMLTNESA-N 542.611 4.406 10 10 KICE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)N2CCCCC2)[C@H]3c2ccc(O)c(O)c2)cc1 1865031224 BSOOHFZFKMBCAD-IBGZPJMESA-N 530.503 4.018 10 10 KICE CCOc1cc(N2CCOCC2)c(OCC)c2c(=O)cc(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)[nH]c12 1866529356 APRGMPRRORGHLG-HHHXNRCGSA-N 591.753 4.185 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)Cc3nc(-c4ccccc4C)oc3C)CC2)cc1 1868634002 ZHZMKSQFIMEQHL-PMERELPUSA-N 568.674 4.291 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)[C@H](c3ccc(F)cc3)C(C)C)CC2)cc1 1868853074 QYXRQYUYSDFUJX-WDYNHAJCSA-N 533.644 4.356 10 10 KICE COc1ccc(N2CCN(C(=O)CNC(=O)[C@H](CC(C)C)c3ccc(OC)c(Br)c3)CC2)cc1 1869006671 CIGZNNGHFWHLJO-JOCHJYFZSA-N 532.479 4.061 10 10 KICE COCCc1nc(N2CCC(C(=O)c3ccc(OC)c(C)c3)CC2)cc(N2CCN(c3ccc(OC)cc3)CC2)n1 1869108911 KKOAAZFKRKEUCP-UHFFFAOYSA-N 559.711 4.417 10 10 KICE CCN(CC)CCCNc1ncnc2c1cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2CC(C)C 1875210273 RIZHKWHCALPSPC-UHFFFAOYSA-N 521.710 4.202 10 10 KICE Cc1c(NC(=O)[C@H](C(C)C)N2C(=O)C(=Cc3ccccc3)SC2=S)c(=O)n(-c2ccccc2)n1C 2053610896 BHTAZEAYOUZASM-QFIPXVFZSA-N 506.653 4.349 10 10 KICE CCOCCCN1C(=O)C(=Cc2c(N3C[C@@H](C)C[C@@H](C)C3)nc3ccc(C)cn3c2=O)SC1=S 2296541881 CRJICTMTYYSERK-HDICACEKSA-N 500.690 4.113 10 10 KICE Cc1ccc2nc(N3CCN(Cc4ccccc4)CC3)c(C=C3SC(=S)N(CC(C)C)C3=O)c(=O)n2c1 2296696378 QOYOHTWCNCLZDG-UHFFFAOYSA-N 533.723 4.182 10 10 KICE CCCC[C@H](CC)CN1C(=O)C(=Cc2c(N3CCC4(CC3)OCCO4)nc3ccccn3c2=O)SC1=S 2314433135 KGZPVXUDPVLTHA-IBGZPJMESA-N 542.727 4.455 10 10 KICE CCCOC(=O)CCN1C(=O)C(=Cc2cc(Br)c(OCC(=O)N(CC)CC)c(OC)c2)SC1=S 2314761676 WRAVJHRJEAKKGK-UHFFFAOYSA-N 573.531 4.249 10 10 KICE CCN1C(=O)C(=C2SC(=S)N([C@@H](C(=O)OC)c3ccccc3)C2=O)c2cc(Br)ccc21 2314768336 KOIAMTLKPLVMAP-QGZVFWFLSA-N 517.426 4.301 10 10 KICE CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C\N1CCN(/C=C2\C(=O)N(c3ccc(C)cc3C)N=C2C)CC1 33744584 YXQHRSFPAXBOKJ-MFYXSQMNSA-N 510.642 4.451 10 10 KICE Cc1ccc2nc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)c(/C=C3/SC(=S)N(C4CCCC4)C3=O)c(=O)n2c1 100849925 SMYRKCHLKXKILW-MFKUBSTISA-N 589.743 4.198 10 10 KICE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3CCC(C(N)=O)CC3)=NC2=O)cc1Br 102849548 UMSMYVBKVYJURH-HYARGMPZSA-N 566.481 4.478 10 10 KICE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCCCOc4cccc(C)c4C)cc3)C(=N)N21 104561217 PAXIWZJIMYHWGD-UQIALHJZSA-N 526.640 4.163 10 10 KICE C[C@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3/SC(=S)N(CC(=O)O)C3=O)c2)C1 110559392 ISMCMZUUUWZOAF-TTXZLZEXSA-N 582.729 4.246 10 10 KICE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3/SC(=S)N(CC(=O)O)C3=O)c2)C1 1554268853 NSBNYFOILZHHST-XELNPYELSA-N 596.756 4.492 10 10 KICE COC(=O)c1c(NC(=O)C(=O)Nc2ccc(N3CCN(C)CC3)cc2)sc(C)c1-c1ccc(C)cc1 1860748478 BFKVTJTWTUIUKG-UHFFFAOYSA-N 506.628 4.148 10 10 KICE Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(F)cc1)=C(N)O2 1864008593 NNCJMWVFDLARGT-QHCPKHFHSA-N 520.948 4.395 10 10 KICE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCc1ccc(F)cc1)[C@@H]2c1ccc(O)c(O)c1 1864015766 FIMMRLSTQBWFGV-JOCHJYFZSA-N 500.530 4.131 10 10 KICE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCCCN(CC)CC)[C@H]2c1ccc(O)c(O)c1 1864016008 HEWUMDVAMWCADR-DEOSSOPVSA-N 533.673 4.304 10 10 KICE CCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1OC)=C(N)O2 1864018104 CORFXCVPMFJQLK-RUZDIDTESA-N 544.583 4.064 10 10 KICE CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1)=C(N)O2 1864018604 OYTCCPCVEAVUDA-DEOSSOPVSA-N 514.557 4.055 10 10 KICE CCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1c[nH]c3ccccc13)=C(N)O2 1864018755 CBFILOYPLPKYRW-MHZLTWQESA-N 549.631 4.440 10 10 KICE CCCc1nn(C)c2c1[C@H](c1ccc(Cl)cc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865087015 XXYSUMUZWBSTHZ-QHCPKHFHSA-N 522.049 4.078 10 10 KICE COc1cc(/C=C2\C(=O)N(Cc3cc(C)ccc3C)N=C2C(F)(F)F)ccc1OCCN1CCOCC1 1865665417 RQYNSIVQUZZBHK-JCMHNJIXSA-N 517.548 4.367 10 10 KICE Cc1nc2ccc(N3C[C@@H](C(=O)NC[C@@H](c4ccc(N(C)C)cc4)N4CCCCC4)CC3=O)cc2s1 1866258744 HQSIYNJDSRGUAT-OFVILXPXSA-N 505.688 4.367 10 10 KICE CC[C@](C)(NC(=O)c1cc(-c2ccc(OC)cc2)nc(O)n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866623514 WXGKYHMOEBTUQV-HKBQPEDESA-N 550.571 4.170 10 10 KICE CC(=O)Oc1ccc(C[C@H](NC(=O)c2ccc(OC(C)=O)cc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867717008 LVLIQBDIZDLEPW-JHOUSYSJSA-N 614.743 4.288 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)CCc3csc(-c4ccccn4)n3)CC2)cc1 1868908716 PVZBYWXFSYOUHI-NDEPHWFRSA-N 555.704 4.223 10 10 KICE CCC[C@@H](NC(=O)c1cc(C2CC2)n2nc(C(C)(C)C)cc2n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869000770 ZTCKAALACHIALE-HSZRJFAPSA-N 532.689 4.160 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCCCN(C)C)C(=O)N(Cc3ccc(C(=O)OC(C)C)cc3)C2=O)cc1 1873165670 OZLZIKDIYHBKSE-UHFFFAOYSA-N 542.680 4.481 10 10 KICE COc1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCn3ccnc3)C2=O)cc1 1873166491 QUFDASUQVOPRRW-UHFFFAOYSA-N 509.610 4.259 10 10 KICE Cc1ccc2nc(N3CCN(c4ccccc4)CC3)c(/C=C3/SC(=S)N(Cc4ccco4)C3=O)c(=O)n2c1 102624767 XLRKARFSMZCMRF-XQNSMLJCSA-N 543.674 4.324 10 10 KICE CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 105498024 PYBFTGQGPRGPBA-FUFNRSNVSA-N 602.669 4.131 10 10 KICE CC1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3\SC(=S)N([C@H]4CCS(=O)(=O)C4)C3=O)c2)CC1 150447501 JMAHJLMJLUULOJ-XGPRFBRNSA-N 642.850 4.348 10 10 KICE CC[C@@H]([C@H](C)O)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cncn6)(c6ccc(F)cc6F)C5)cc4)CC3=O)cc2)c1=O 605695719 ZZDLBPMUUVZXAY-UZGSICAYSA-N 714.774 4.100 10 10 KICE CCOc1c(I)cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc1OC 1084155458 JGGGQNQMSFIXTM-RIYZIHGNSA-N 587.233 4.292 10 10 KICE CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC13CC4CC(CC(C4)C1)C3)=C(N)O2 1864014526 XJJRIUTWKMCYKV-BHNGUXPSSA-N 506.647 4.436 10 10 KICE CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(F)cc1)=C(N)O2 1864018632 PLFDSELEAJVFNS-DEOSSOPVSA-N 532.547 4.194 10 10 KICE CCN(CCc1ccncc1)C(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1 1865028757 ZTFBJRCNFBFEDK-MHZLTWQESA-N 539.636 4.140 10 10 KICE CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)C[C@@H](C)C1)=C(N)O2 1865034810 FGHWYAYPLUHDKC-OJLQRUNKSA-N 520.605 4.243 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCN(C(=O)C5CCCCC5)CC4)nc(C(C)C)n3)CC2)cc1 1869095946 IDDKQKXVLZPOFC-UHFFFAOYSA-N 506.695 4.164 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)c4cccc([N+](=O)[O-])c4)n(-c4ccc(C)cc4)n3)CC2)cc1 1869969457 CNVUMFSTTXDPOV-UHFFFAOYSA-N 513.558 4.071 10 10 KICE CCN(CC)CCCN1C(=O)C(NCc2ccc3c(c2)OCO3)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873168043 HLXJNOGNPDYTOH-UHFFFAOYSA-N 528.653 4.424 10 10 KICE CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)NCC4CCC(C(=O)O)CC4)c4ccccc34)[C@@H]21 2297718138 QMTQBSUFBVLOGX-KGBCOHSOSA-N 514.626 4.186 10 10 KICE C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)C(=Cc2cccc(OCc3ccccc3)c2)SC1=S 2314836625 HRQRXXXNPNPRMJ-QGZVFWFLSA-N 553.687 4.141 10 10 KICE O=C1/C(=C\c2c(NC[C@H]3CCCO3)nc3ccccn3c2=O)SC(=S)N1CCCc1ccccc1 33890619 HMXMTTCZJKRXIG-SRMPHAGFSA-N 506.653 4.119 10 10 KICE CCCn1c(N2CCN(c3ccc(F)cc3)CC2)c(/C=C2\SC(=S)N(CC)C2=O)c(C)c(C#N)c1=O 39990193 GLEROBYBTZHIDU-JCMHNJIXSA-N 525.675 4.125 10 10 KICE Cc1cccn2c(=O)c(/C=C3/SC(=S)N([C@@H]4CCS(=O)(=O)C4)C3=O)c(Sc3ccc(Cl)cc3)nc12 100850903 YLBKVYKUGXTMGG-CLXYIWAZSA-N 564.135 4.196 10 10 KICE COc1cc(/C=C2/C(=O)N(c3ccc(Cl)c(C(=O)O)c3)N=C2C)cc(I)c1O 102644290 HHUBOJDVZCVQAB-LFYBBSHMSA-N 512.687 4.163 10 10 KICE C=CCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CCC)c2N2CCN(c3ccccc3F)CC2)SC1=S 110526891 XTWMPKLDQUPAKX-KQWNVCNZSA-N 537.686 4.291 10 10 KICE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C(=O)OCCOC)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1 526563675 VIMZWXFHLYRHNZ-RUZDIDTESA-N 505.523 4.357 10 10 KICE CC(C)(NC(=O)c1cc(-c2ccc(F)c(F)c2)[nH]n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867095314 UPIFDIXVXHPTRP-UHFFFAOYSA-N 514.488 4.277 10 10 KICE CC(C)C[C@H](C(=O)N[C@@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cccc(Br)c1 1867201559 GANYQQXBHGAUOU-UPVQGACJSA-N 563.448 4.470 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)c3sc(C)nc3C(C)C)CC2)cc1 1868976260 AEURBSUJEXPTIH-DEOSSOPVSA-N 506.672 4.273 10 10 KICE CCCCOCCCn1cc(OCCOC(C)C)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870539489 OPMQSLFVLGYBEN-UHFFFAOYSA-N 515.695 4.190 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)c3sccc3C)CC2)cc1 1874642783 MZJFIQOHDDDDII-RUZDIDTESA-N 502.640 4.236 10 10 KICE COc1ccc(C=C2SC(=S)N(CCC(=O)N(Cc3cccc(Cl)c3)[C@H]3CCS(=O)(=O)C3)C2=O)cc1 2296851814 LOSALALYMDNQQT-FQEVSTJZSA-N 565.138 4.156 10 10 KICE Cc1c(N2C(=O)C(=Cc3c(N4CCCC[C@@H]4C)nc4ccccn4c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C 2314414212 SMFQFFRQAYNMQR-SFHVURJKSA-N 572.716 4.277 10 10 KICE CCOc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc(Cl)c1OCc1cccc(C)c1 104558838 KQPLDASZIKXPHA-UOSKESRZSA-N 533.031 4.247 10 10 KICE CCOC(=O)C(C(=O)OCC)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2c1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 150455970 CPWVLZVJCBAQPP-UHFFFAOYSA-N 686.677 4.468 10 10 KICE CS(=O)(=O)c1ccc(-c2nsc(NC(=O)CCCN3C(=O)/C(=C\c4cccs4)SC3=S)n2)cc1 206727982 KUTMJMMYVUXNPV-FOWTUZBSSA-N 550.734 4.290 10 10 KICE CCN1CCCc2cc(CN3CCC4(CCCCc5ccccc5OCCNC(=O)[C@@H](C)NC4=O)CC3)ccc21 1615070867 ATBBDJFOTIRYCO-RUZDIDTESA-N 546.756 4.468 10 10 KICE COc1ccccc1OCC(=O)Nc1cccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)n1 1860556985 HKCOBULRSAYECA-UHFFFAOYSA-N 507.502 4.135 10 10 KICE COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N[C@H](C)c2ccccc2)[C@@H]3c2ccc(O)c(O)c2)cc1 1864007205 HSJMJMYHEDCCQJ-PUAOIOHZSA-N 512.566 4.173 10 10 KICE CC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(CCc1ccc(OC)cc1)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867501385 BBCOWWZSBHVBPS-LQJZCPKCSA-N 639.797 4.452 10 10 KICE CCC[C@H](NC(=O)[C@@H](c1ccc(OC)c(OC)c1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868863718 MDAZGAIUQITLJP-RPLLCQBOSA-N 511.663 4.086 10 10 KICE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4c(C)cc(C)cc4C)cn3C[C@@H](C)O)CC2)cc1 1870380166 XWFHIOZOMGJQSE-XMMPIXPASA-N 505.659 4.064 10 10 KICE COC(=O)C1CCC(CN2C(=O)C(NCCOC(C)C)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)CC1 1873165706 QIMSGTXSYSZLMV-UHFFFAOYSA-N 521.658 4.168 10 10 KICE COc1ccc(N2CCN(CCC(=O)c3ccc(NC(=O)c4ccc(OC(C)=O)cc4)cc3)CC2)cc1 1874752249 UQDSIHOEQWXULA-UHFFFAOYSA-N 501.583 4.268 10 10 KICE CC[C@H](C)c1ccccc1OCCOc1ccc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc1 2297345839 HKKNEDYUCFEMDC-INIZCTEOSA-N 526.640 4.279 10 10 KICE CC1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C3SC(=S)N([C@@H]4CCS(=O)(=O)C4)C3=O)c2)CC1 2314476151 JMAHJLMJLUULOJ-XMMPIXPASA-N 642.850 4.348 10 10 KICE Cc1ccsc1CN(C(=O)CCCN1C(=O)C(=Cc2ccccc2)SC1=S)[C@@H]1CCS(=O)(=O)C1 2314600282 XCISGCMKYBOUCL-LJQANCHMSA-N 534.750 4.254 10 10 KICE COc1ccc(N2CCN(CCCNC(=O)[C@@H]3CCCN(c4nc5c(C)cc(C)cc5s4)C3)CC2)cc1 8911731 UQZZKELEOWXXKO-HSZRJFAPSA-N 521.731 4.467 10 10 KICE COc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OC(=O)c1ccc(F)cc1 20236679 GCYCPOJSDSKBOX-MBRQZNNDSA-N 500.280 4.266 10 10 KICE O=C1[C@H]2[C@H](C(=O)N1c1cccc(C(F)(F)F)c1)[C@](Cc1c[nH]c3ccccc13)(C(=O)O)N[C@H]2c1ccccc1O 104879948 RQYJYGRJMHKROB-NLJXWPIHSA-N 549.505 4.409 10 10 KICE COC(=O)[C@@H]1S[C@]2(SC(c3ccccc3)=NC23CCCC3)[C@@H](C(=O)OC)N1c1ccc(OC)cc1 248136497 NIKSOADBIRIJQQ-LIXHSBQKSA-N 512.653 4.492 10 10 KICE COc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4C)c3C)C(=O)NC2=S)c(OC)c1 1084013967 KUHZOHGYEBUUCC-NDENLUEZSA-N 520.567 4.159 10 10 KICE CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(sc(=Cc3ccc(N(CC)CC)cc3OC)c2=O)=N1 1084560729 RXVYCFRPDFCKIE-GDLZYMKVSA-N 593.746 4.451 10 10 KICE COc1ccc(C(=O)Nc2cc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)ccn2)cc1OC 1860506636 JTLSIDQHSCYQGR-UHFFFAOYSA-N 507.502 4.379 10 10 KICE CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOc1cc(C)cc(C)c1)=C(N)O2 1864020548 DIWKTEYSMNUFSS-DEOSSOPVSA-N 520.630 4.019 10 10 KICE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC1)=C(N)O2 1865033257 VSXCPFRWRNYUDA-HXUWFJFHSA-N 515.397 4.470 10 10 KICE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@H](Cc3ccc(F)cc3)NC(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)cccc21 1866863518 XEDSVBNNRYHFTG-PIKZIKFNSA-N 575.596 4.320 10 10 KICE COc1cc(C(=O)N[C@H](C)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c(Br)c(OC)c1OC 1867451426 SIMAFMVMQSQZMR-GCJKJVERSA-N 591.547 4.003 10 10 KICE CSCC[C@@H](NC(=O)c1ccc(N(C)C)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867889046 NRGOEHLRYVCQLM-SXOMAYOGSA-N 525.763 4.014 10 10 KICE CC(NCCCCN[C@@H](C)[C@H]1N=C(c2ccc(Cl)cc2)OC1=O)=C1N=C(c2ccc(Cl)cc2)OC1=O 2297454749 IPFLJLUJCGYYEL-YCRPNKLZSA-N 529.424 4.248 10 10 KICE Cc1ccc(S(=O)(=O)c2nc(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)oc2N2CCOCC2)cc1 2256509 VSNQQYDZNLSBGJ-HMMYKYKNSA-N 541.676 4.054 10 10 KICE CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OC 104264790 NQHNPPGPKRZZEZ-ZSOIEALJSA-N 526.714 4.018 10 10 KICE COc1ccc(/C=C2/SC(=S)N(CC(=O)NC[C@@H](c3ccc(OC)cc3)N3CCCCC3)C2=O)cc1 205608573 LGAKKHHXWAFSBM-JECJHWOISA-N 525.696 4.248 10 10 KICE [N-]=[N+]=NCCc1ccc(O)c(N=Nc2ccc(C(=O)NCCOCCOCCOCCNC(=O)CCCC[C@@H]3SC[C@H]4NC(=O)N[C@H]43)cc2)c1 888087543 VQJUOWXTLWKWGJ-SXQNJKPJSA-N 711.846 4.282 10 10 KICE Cc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOc1ccccc1)=C(N)O2 1864008528 MDIOCZZOAFRGDA-DEOSSOPVSA-N 532.984 4.135 10 10 KICE Cc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](C)C1)=C(N)O2 1865027615 JTMIVNLYNLPFDZ-RCDICMHDSA-N 539.430 4.308 10 10 KICE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)N(C)Cc2ccccc2)[C@H]3c2ccc(O)c(O)c2)cc1 1865028743 ZPRZHKCAYNXCCE-SANMLTNESA-N 510.594 4.313 10 10 KICE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@H](C)C1)=C(N)O2 1865029571 QMBOLNJVUNQVKU-RPPIVITFSA-N 532.641 4.444 10 10 KICE C[C@@H](NC(=O)CCc1csc(-c2ccccn2)n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867054733 ZRGWQUSDYDCISI-MRXNPFEDSA-N 510.575 4.057 10 10 KICE CCC[C@H](NC(=O)Cc1nc(-c2ccc(Cl)cc2)oc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868651264 PAYAUBFIBHCQRA-DEOSSOPVSA-N 525.049 4.488 10 10 KICE CCN(CC)CCN1C(=O)C(NCc2ccc(C(=O)OC)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873165371 LQCIIBVRVKIVLW-UHFFFAOYSA-N 528.653 4.092 10 10 KICE Cc1cc(C=C2C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)c(C)n1-c1ccc(Cl)c([N+](=O)[O-])c1 2296940546 BFHYYEJOFKRWRI-UHFFFAOYSA-N 540.005 4.287 10 10 KICE COC(=O)[C@@H]1[C@H](c2cc(OC)c(OC)c(OC)c2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12 34720868 WNRPPOKGKWYFDD-ZNZIZOMTSA-N 525.557 4.319 10 10 KICE biogenic CCOc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1I 1084348320 GABSVUNLDUKEKF-QPEQYQDCSA-N 559.129 4.258 10 10 KICE COc1ccc(O)c(CN[C@H]2C[C@H](C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)N(C3Cc4ccccc4C3)C2)c1 1616105565 LCRFDBIJLTVFHV-FREGXXQWSA-N 594.678 4.468 10 10 KICE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cccs1)=C(N)O2 1864011774 YEDNEXYDRXHRIZ-HSZRJFAPSA-N 516.623 4.351 10 10 KICE CN(C)c1ccc([C@H](CNC(=O)c2cc(=O)c3cc(I)ccc3[nH]2)N2CCCCC2)cc1 1866528290 CNYPPSVTYSUHBL-QHCPKHFHSA-N 544.437 4.156 10 10 KICE CN(C)c1ccc([C@H](CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2ccc3c(c2)C(=O)N([C@@H](Cc2ccccc2)C(=O)O)C3=O)N2CCCCC2)cc1 1867627393 HSNYBDQYCBEUHI-FSEITFBQSA-N 731.850 4.435 10 10 KICE CN(C)c1ccc([C@@H](CNC(=O)C(C)(C)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)N2CCCCC2)cc1 1867780823 UWJCINFOARQHSH-HHHXNRCGSA-N 550.704 4.113 10 10 KICE COc1ccc(N2CCN(c3nc(=NCCC4=CCCCC4)[nH]c(=Nc4cccc(F)c4)[nH]3)CC2)cc1 1871546441 BDHPOHIWWJHAIO-UHFFFAOYSA-N 503.626 4.236 10 10 KICE CCOc1ccc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1I 2313559665 KJCQPVDFWFWNFM-UHFFFAOYSA-N 541.139 4.119 10 10 KICE CCOC(=O)Cc1csc(NC(=O)COc2ccc(C=C3SC(=S)N(CC(C)C)C3=O)cc2)n1 2331594905 QLJJXLFBBBHQBF-UHFFFAOYSA-N 519.670 4.123 10 10 KICE COCCN1C(=O)/C(=C\c2c(N3CCC(Cc4ccccc4)CC3)nc3ccccn3c2=O)SC1=S 35402748 IMODZHYZOCCEGM-RELWKKBWSA-N 520.680 4.001 10 10 KICE Cc1c(/C=C2\SC(=S)N(CCCCCCCCCCC(=O)O)C2=O)c(N2CCOCC2)n(C)c(=O)c1C#N 110518649 WXPPECGCLNPYKL-XLNRJJMWSA-N 560.742 4.199 10 10 KICE CCCCn1c(NCc2ccc(OC)cc2)c(/C=C2\SC(=S)N(CCC(=O)O)C2=O)c(C)c(C#N)c1=O 143359096 QKUNXKUWERTNMW-BKUYFWCQSA-N 540.667 4.125 10 10 KICE COC(=O)[C@@H]1S[C@@]2(SC(c3ccccc3)=NC23CCCC3)[C@H](C(=O)OC)N1c1ccc(OC)cc1 230216517 NIKSOADBIRIJQQ-YBXDKENTSA-N 512.653 4.492 10 10 KICE Cc1cc(Br)c(N2C(=O)NC(=O)/C(=C\c3cc4c(cc3Br)OCO4)C2=O)cc1C 1084032088 AYVDNHWRGWDJKX-LFYBBSHMSA-N 522.149 4.224 10 10 KICE CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOc1ccccc1)=C(N)O2 1864013062 PFPSCDRPFJLCEK-AREMUKBSSA-N 540.620 4.185 10 10 KICE CCCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2Cc2ccc(F)cc2)[C@@H]1c1ccc(O)c(O)c1 1864013694 YYILVBRPCJYFBU-QHCPKHFHSA-N 508.594 4.435 10 10 KICE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CC)=C(N)O2 1865034632 AVCXHFFSXMNTGQ-NRFANRHFSA-N 514.985 4.261 10 10 KICE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1ccc[nH]1 1865605125 AYACGTTXAGUUJY-VWLOTQADSA-N 538.652 4.340 10 10 KICE COc1cc(/C=C2\C(=O)N(Cc3ccccc3F)N=C2c2ccccc2)ccc1OCCN1CCOCC1 1865665564 APLQXBAGVNKFCP-PLRJNAJWSA-N 515.585 4.375 10 10 KICE CC[C@H](C)N1C(=O)c2ccc(C(=O)N[C@@H](CCSC)C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O 1867591035 PAFUQZCBQIOSQE-PWUSVURUSA-N 607.821 4.342 10 10 KICE CN(C)c1ccc([C@H](CNC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)N2CCCCC2)cc1 1867782897 XQICPAXABGCOJM-NDKRRWIDSA-N 646.764 4.321 10 10 KICE CC(=O)Oc1ccc(C[C@H](NC(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867795660 NPVRXUFCULLAKB-BZKUTMRRSA-N 644.773 4.337 10 10 KICE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)Cc3nc(-c4ccccc4Cl)oc3C)CC2)cc1 1868647531 RRDWICXRWQVZHE-UHFFFAOYSA-N 511.022 4.098 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)c3cc(-c4ccccc4)on3)CC2)cc1 1868754300 WAHHQSZTUOZVPY-HHHXNRCGSA-N 528.584 4.179 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCCCN3CCOCC3)C(=O)N(C3CCCCCC3)C2=O)cc1 1873169594 QOBMKPWOOGFTLI-UHFFFAOYSA-N 504.675 4.209 10 10 KICE CCn1c(N2C[C@H](C)O[C@H](C)C2)c(/C=C2/SC(=S)N(C3CCCCC3)C2=O)c(C)c(C#N)c1=O 33475369 JEQGAADQCYWDKI-HAIHPVAESA-N 500.690 4.196 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(COc4ccc(F)cc4F)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 254439146 LZFSHYSXRYHPDY-MHZLTWQESA-N 579.625 4.315 10 10 KICE COC(=O)c1c(NC(=O)[C@H](CCS(C)(=O)=O)N2C(=O)c3ccccc3C2=O)sc(C)c1-c1ccc(C)c(C)c1 1865987915 CHDLXIXCMAHVDH-NRFANRHFSA-N 568.673 4.165 10 10 KICE CC(=O)Oc1ccc(C[C@H](NC(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867795661 NPVRXUFCULLAKB-DITALETJSA-N 644.773 4.337 10 10 KICE CCC[C@H](NC(=O)c1ccc(F)c(F)c1F)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867808604 BXKLBIIQZKKMQU-XZOQPEGZSA-N 504.597 4.412 10 10 KICE CCOCCCn1cc(OCc2ccc(F)cc2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870621717 YRDOYPFAKPPEEN-UHFFFAOYSA-N 509.622 4.324 10 10 KICE COc1ccc(N2CCN(c3nc(=NCc4ccc(Cl)cc4)[nH]c(=Nc4ccccc4C)[nH]3)CC2)cc1 1871485119 UMPKKJFVMLSLOU-UHFFFAOYSA-N 516.049 4.368 10 10 KICE CCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCCc3ccc(OC)c(OC)c3)ncnc21 1875200387 PJOKUQIDDCZDFU-UHFFFAOYSA-N 544.656 4.094 10 10 KICE CCOCCCN1C(=O)C(=Cc2c(N3CCN(c4ccccc4F)CC3)nc3c(C)cccn3c2=O)SC1=S 2296945716 AYXLAXANDWNWRU-UHFFFAOYSA-N 567.712 4.096 10 10 KICE COc1ccc(C=C2SC(=S)N(CCC(=O)Nc3ccc(S(=O)(=O)Nc4nc(C)cc(C)n4)cc3)C2=O)cc1 2297450298 ZRJWORMANTYFRR-UHFFFAOYSA-N 583.717 4.133 10 10 KICE CC[C@H](C)N1C(=O)/C(=C\c2c(N3CCN(c4ccccc4)CC3)nc3c(C)cccn3c2=O)SC1=S 34262912 NBLWOEUOWJWYJI-WXNAFCGMSA-N 519.696 4.329 10 10 KICE COc1ccc(NC(=O)CSc2nnc(NC3=NC(=O)/C(=C4/C(=O)Nc5ccc(Br)cc54)S3)s2)cc1 102371684 AYHJWNDXHVAETH-MSUUIHNZSA-N 603.505 4.445 10 10 KICE O=C1/C(=C\c2c(NC[C@H](O)c3ccccc3)nc3ccccn3c2=O)SC(=S)N1CCc1ccccc1 102687467 YKLWQRNUKBLHSL-HFGSDPQMSA-N 528.659 4.284 10 10 KICE O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/Nc1ccc(Cl)c(CN2C(=O)c3ccccc3C2=O)c1 103247606 VELYBJMVDULBAO-UDWIEESQSA-N 535.343 4.368 10 10 KICE C[C@@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3/SC(=S)N([C@@H]4CCS(=O)(=O)C4)C3=O)c2)C1 150658252 DZLLBKLAWWBQKP-JMRQAQLSSA-N 642.850 4.348 10 10 KICE Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)NCC(C)C)[C@@H]3c2ccc(O)c(O)c2)cc1 1864015410 QPDRZDTTZAYSAV-GOSISDBHSA-N 502.493 4.078 10 10 KICE CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOc1ccccc1)=C(N)O2 1864017830 WEQIHMNVWCEOQA-RUZDIDTESA-N 526.593 4.044 10 10 KICE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN(CC)CC)=C(N)O2 1864020463 ZKGVPOZRQDTQDI-SANMLTNESA-N 547.700 4.065 10 10 KICE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)N2C[C@H](C)C[C@@H](C)C2)[C@@H]3c2ccc(O)c(O)c2)c1 1865028709 YGYJZGYCMRFQKL-UYPAYLBCSA-N 516.642 4.467 10 10 KICE CC[C@H](NC(=O)c1cc(C2CC2)n2nc(C3CC3)cc2n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867177195 CVEUNAVBXVSKQP-NRFANRHFSA-N 533.588 4.407 10 10 KICE CN(C)c1ccc([C@@H](CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)N2CCCCC2)cc1 1867798733 VQKWFSDHRUDLPY-QCENPCRXSA-N 602.736 4.117 10 10 KICE Cc1cc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)ccc1[N+](=O)[O-] 1867871193 LHFWJMHWNXBDBQ-JDXGNMNLSA-N 573.694 4.359 10 10 KICE C[C@H](O)Cn1cc(OCC(=O)NC2CCCCC2)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870925394 FAJXZLIKBBBUFM-NRFANRHFSA-N 504.631 4.413 10 10 KICE COc1ccc(N2CCN(c3nc(=NCc4ccccc4Cl)[nH]c(=Nc4ccccc4)[nH]3)CC2)cc1 1871598168 KSIRFMZQXHIXEM-UHFFFAOYSA-N 502.022 4.060 10 10 KICE COc1ccc(OC)c(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCN3CCOCC3)C2=O)c1 1873425618 IOVSTRRWJUSUJT-UHFFFAOYSA-N 544.652 4.026 10 10 KICE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)ccc1OCCOc1ccccc1OC 2293215390 IKPZLUBFSHKLDN-UHFFFAOYSA-N 532.549 4.227 10 10 KICE Cc1ccsc1CN(C(=O)CCCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)[C@@H]1CCS(=O)(=O)C1 101266766 JNFUJAQJAOEAMG-PQDCBLBRSA-N 552.740 4.393 10 10 KICE CCOC(=O)CCN1C(=O)/C(=C\c2cc(Br)c(OCC(=O)N3CCCCC3)c(OCC)c2)SC1=S 101741276 ZFJPDXGJLNMOEL-XMHGGMMESA-N 585.542 4.394 10 10 KICE Cc1ccc2nc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)c(/C=C3/SC(=S)N(Cc4ccco4)C3=O)c(=O)n2c1 102861195 ZYJCZFHMYOSEMO-AFUMVMLFSA-N 601.710 4.048 10 10 KICE C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)CCN2C(=O)/C(=C\c3ccccc3)SC2=S)[C@@H]2CCS(=O)(=O)C2)o1 207313069 LAIABXAHIRYFJZ-IBVFROAESA-N 544.720 4.210 10 10 KICE CCOc1cc(C2=C(O)C(=O)N(c3ccccc3N3CCOCC3)[C@H]2c2ccc(O)c(O)c2)ccc1OC 526499970 HWHJYWUSJLGCHM-MHZLTWQESA-N 518.566 4.399 10 10 KICE CCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)cc2)[C@@H]1c1ccc(O)c(O)c1 1864013766 FSDFUDZFFVAONT-NRFANRHFSA-N 502.958 4.435 10 10 KICE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC(C)C)=C(N)O2 1864019270 XPDYRNXWUYWYDT-HSZRJFAPSA-N 541.048 4.184 10 10 KICE CCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccs1)=C(N)O2 1864019466 ZMZDWDQPHYFXOK-JOCHJYFZSA-N 520.586 4.117 10 10 KICE CCCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2-c2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1864023504 ZQUNNLWSALPXSB-QHCPKHFHSA-N 512.566 4.180 10 10 KICE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4CC(C)C)[C@H]3c3cccc(C)c3)CC2)cc1 1865559690 CKRUIULAOUQCKM-AREMUKBSSA-N 515.658 4.208 10 10 KICE CN(C)c1ccc([C@@H](CNC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)c2ccc([N+](=O)[O-])cc2)N2CCCCC2)cc1 1867357622 LHPSOUIONPJWMH-FQLXRVMXSA-N 561.658 4.484 10 10 KICE CC[C@H](C)N1C(=O)c2ccc(C(=O)N[C@H](CCSC)C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O 1867591034 PAFUQZCBQIOSQE-GJDOKZOISA-N 607.821 4.342 10 10 KICE CC[C@@H](NC(=O)c1ccc2nc(C)c(C)nc2c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867683758 AMYNGMRLNQXPHZ-NAKRPHOHSA-N 516.690 4.164 10 10 KICE CCC[C@@H](NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867843914 FIKWXWMWFCBXNI-ZEQKJWHPSA-N 554.648 4.119 10 10 KICE CCOc1ccc(-c2nc(N3CCC(c4ncncn4)CC3)cc(N3CCN(c4ccc(OC)cc4)CC3)n2)cc1 1869332730 SFQSBZVDEYZSRX-UHFFFAOYSA-N 552.683 4.447 10 10 KICE CCOCCCN1C(=O)C(Nc2ccc(C(=O)OC)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422924 WMEWKPJXBGKVNH-UHFFFAOYSA-N 501.583 4.499 10 10 KICE COc1ccc(CN2C(=O)C(=Cc3c(N4CCC[C@H](C)C4)nc4ccccn4c3=O)SC2=S)cc1 2314414015 NPOIIAIMBXJSOA-KRWDZBQOSA-N 506.653 4.341 10 10 KICE O=C(O)C[C@]1(C(=O)O)N[C@H](c2ccc(/C=C/c3ccccc3)cc2)[C@H]2C(=O)N(Cc3ccc4c(c3)C(=O)c3ccccc3C4=O)C(=O)[C@@H]21 150671327 ZYANPVOTPCBXTC-OKRLEVNOSA-N 640.648 4.376 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)cc3OC)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 252670290 KCILNLBFPVUBFR-MUUNZHRXSA-N 579.719 4.060 10 10 KICE COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCCc2ccc(Cl)cc2)[C@H]3c2ccc(O)c(O)c2)cc1 1864006925 APCUTUJEYMSZCQ-VWLOTQADSA-N 547.011 4.307 10 10 KICE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C)CC1)=C(N)O2 1865027220 WHGCURRUBLGZQV-HSZRJFAPSA-N 509.006 4.258 10 10 KICE CCCN(CCC)C(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccc(OC)cc2)[C@@H]1c1ccc(O)c(O)c1 1865033163 UBARCBPZSSSYFJ-QHCPKHFHSA-N 506.603 4.198 10 10 KICE CC(=O)Oc1ccc(C[C@H](NC(=O)c2ccc3c(c2)C(=O)N(C(C)C)C3=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867434856 MNQHKKOZZGJZMK-HEVIKAOCSA-N 667.807 4.367 10 10 KICE CC[C@](C)(NC(=O)CCC(=O)N1CCC[C@H]1c1nc2ccccc2s1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868893853 HQQCIEAXTSMQGV-FKAPRUDGSA-N 577.751 4.382 10 10 KICE CCOCCCn1cc(OCc2cccc(C)c2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870619659 RLOSFGFFPMQJFF-UHFFFAOYSA-N 505.659 4.493 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(N4CCN(C)CC4)cc3)C(=O)N(C3CCN(C)CC3)C2=O)cc1 1873427401 LLNYAOAQGUBHEC-UHFFFAOYSA-N 552.723 4.132 10 10 KICE CCOCCCN1C(=O)C(=Cc2c(N3C[C@H](C)C[C@@H](C)C3)nc3c(C)cccn3c2=O)SC1=S 2296540777 RPLZPJKRIIZKMS-IAGOWNOFSA-N 500.690 4.113 10 10 KICE COc1ccc(C=C2SC(N3CCN(C(=O)CCN4C(=O)C(=Cc5cccs5)SC4=S)CC3)=NC2=O)cc1 2297305844 UCEUHPSCNWAADK-UHFFFAOYSA-N 584.770 4.163 10 10 KICE O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)C1=Cc1cc2c(cc1[N+](=O)[O-])OCO2 2313555884 CJKFZCZRERULPC-UHFFFAOYSA-N 515.522 4.458 10 10 KICE CCOc1c(I)cc(I)cc1/C=C1/C(=O)NC(=O)N(c2ccccc2C)C1=O 1084626941 GMVSPAGYDCGYPN-ZROIWOOFSA-N 602.166 4.269 10 10 KICE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCCc1ccccc1)[C@@H]2c1ccc(O)c(O)c1 1864022091 KQBMAKUCCZATLA-LJQANCHMSA-N 516.520 4.167 10 10 KICE CC(C)c1ccc([C@@H](C(=O)N[C@H](CO)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C(C)C)cc1 1866960334 FOKOOKZZHINWPU-FTJBHMTQSA-N 512.606 4.441 10 10 KICE CCCC[C@@H](NC(=O)[C@H](Cc1ccncc1)c1ccccc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868674480 YPGSZQDHDUCGDF-FQLXRVMXSA-N 514.670 4.440 10 10 KICE CCOCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCOc2ccc(OC)cc2)C1=O 1873170440 ZNLLIOXIGILRMM-UHFFFAOYSA-N 517.626 4.278 10 10 KICE Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(N3CCCCC3)nc12 2296704055 MHJGNGCZZCLYOG-UHFFFAOYSA-N 520.636 4.123 10 10 KICE COc1cc(C=C2SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)cc(Br)c1O 2314764388 BDMIOGQAWGQMAO-UHFFFAOYSA-N 544.246 4.472 10 10 KICE CCCCn1c(NCc2ccccc2)c(/C=C2\SC(=S)N(CCC(=O)O)C2=O)c(C)c(C#N)c1=O 40066969 OJOKRUTXYCUJFC-MOSHPQCFSA-N 510.641 4.117 10 10 KICE CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(O)c(Br)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 105670862 BAXKGEATTZQRSU-PRWBYUBPSA-N 621.351 4.095 10 10 KICE CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4)cc3)C2=O)c1 1083957050 JXRKSCRQZSQZHO-KQWNVCNZSA-N 529.549 4.168 10 10 KICE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NC13CC4CC(CC(C4)C1)C3)[C@@H]2c1ccc(O)c(O)c1 1864022971 SVFOBGQRXBNOTH-UMDMRNDLSA-N 518.536 4.113 10 10 KICE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N[C@H](C)c1ccc(OC)cc1)[C@@H]2c1ccc(O)c(O)c1 1864022976 SVNJRQUZKPAUBD-BFUOFWGJSA-N 532.519 4.304 10 10 KICE CCCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C)C1)=C(N)O2 1865028913 AUEDAFJEOKSPNW-KOSHJBKYSA-N 502.615 4.248 10 10 KICE CCOc1cc(N2CCOCC2)c(OCC)c2c(=O)c(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c[nH]c12 1866448147 KHFINMFOBUHDQK-UHFFFAOYSA-N 567.598 4.190 10 10 KICE CC[C@H](NC(=O)c1cc(-c2cc(F)ccc2F)n(C)n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867104429 VTONZDRQWSFADE-NRFANRHFSA-N 528.515 4.288 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)COc4c(C)cccc4C)n(-c4ccccc4)n3)CC2)cc1 1869971086 WWKDBDWGEJPMAX-UHFFFAOYSA-N 512.614 4.237 10 10 KICE CCN(CC)CCn1cc(OCc2cccc(C)c2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870622124 QHEMIQMVJIAGHE-UHFFFAOYSA-N 518.702 4.408 10 10 KICE O=C1NC(=O)N(c2cccc(Br)c2)C(=O)C1=Cc1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 2294095057 GWJZEGRJIVYBJU-UHFFFAOYSA-N 509.272 4.211 10 10 KICE COc1ccc(CCN2C(=O)C(=Cc3c(N4CCCCC4)nc4ccccn4c3=O)SC2=S)cc1OC 2296701614 MEWIHXZEEPSLCL-UHFFFAOYSA-N 536.679 4.146 10 10 KICE Cc1ccc(CN2C(=O)C(=Cc3c(N4C[C@H](C)O[C@@H](C)C4)nc4ccccn4c3=O)SC2=S)cc1 2314399891 DZEDVTMJPUKZAM-ROUUACIJSA-N 506.653 4.018 10 10 KICE CCOc1cc(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)ccc1OCC(=O)N(C(C)C)C(C)C 24682067 VQARZRCUTLCILA-MOSHPQCFSA-N 508.662 4.176 10 10 KICE C[C@@H]1C[C@H]1c1ccc(CN(C(=O)CN2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)[C@@H]2CCS(=O)(=O)C2)o1 101911431 LRELHISQNTZOOJ-LJSCJVIFSA-N 565.138 4.474 10 10 KICE COc1ccc2c(c1)[C@@]1(C(=O)N2C)N(C)C[C@H](c2cccs2)[C@]12SC(=S)N(Cc1ccco1)C2=O 106022205 JSFJINBXYPDTFB-AYCKEJKLSA-N 525.677 4.050 10 10 KICE CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccc(OC)cc4[N+](=O)[O-])c3C)C2=O)c1 1084278552 OMPIFLQIGFJIDE-BKUYFWCQSA-N 548.552 4.475 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(N(C)C)cc1 1084301861 CQOKVFNKSPNKLU-NDEPHWFRSA-N 629.651 4.473 10 10 KICE O=C1c2ccccc2C(=O)c2c(NC(=O)C3CCN(C(=O)/C=C/c4ccc([N+](=O)[O-])s4)CC3)cccc21 1860602425 IGUDWXCTNIDRMZ-CSKARUKUSA-N 515.547 4.322 10 10 KICE CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN(CC)CC)=C(N)O2 1864009973 HIPVAQBYMGFBTG-VWLOTQADSA-N 533.673 4.087 10 10 KICE Cc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)c1ccccc1)=C(N)O2 1864011492 IJODAMRBEWFJTQ-IVCQMTBJSA-N 514.557 4.362 10 10 KICE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCC(C)C)=C(N)O2 1864012836 KKTQECJWYAVIHV-JOCHJYFZSA-N 511.022 4.415 10 10 KICE CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)c1ccc(OC)cc1)=C(N)O2 1864014083 NBICEROMHCLGQE-WAIKUNEKSA-N 506.603 4.237 10 10 KICE CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1OC)=C(N)O2 1864017922 YLNACIFNRMVWTF-RUZDIDTESA-N 526.593 4.174 10 10 KICE C[C@H]1CCCN(C(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3Cc3cccc(F)c3)[C@@H]2c2ccc(O)c(O)c2)C1 1865033971 LWXMINJPHGTSSI-XOBRGWDASA-N 546.521 4.454 10 10 KICE Cc1cccc(-c2nc(CC(=O)N[C@@H](C)C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c(C)o2)c1 1866645202 ZMRUHJFARAIYSN-KRWDZBQOSA-N 507.546 4.420 10 10 KICE O=C(CS(=O)(=O)c1cccc(Cl)c1)N[C@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1 1866884613 RJWPUKCQPKVLMW-MHZLTWQESA-N 573.026 4.385 10 10 KICE CCC[C@@H](NC(=O)CCS(=O)(=O)c1cccc(Cl)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866885774 DQVYHDDDMPTPSU-HSZRJFAPSA-N 553.036 4.203 10 10 KICE CC[C@H](NC(=O)CCc1csc(-c2ccncc2)n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867062298 DZBHDAGNUNPCFF-QFIPXVFZSA-N 524.602 4.447 10 10 KICE CN(C)c1ccc([C@@H](CNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)c2ccccc2)N2CCCCC2)cc1 1867772966 JOYYMJGIAODYSP-FQLXRVMXSA-N 514.670 4.143 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)CCc3csc(-c4ccncc4)n3)CC2)cc1 1868906426 PDAHMECSPRWZRF-NDEPHWFRSA-N 573.694 4.362 10 10 KICE COc1ccc(N2CCN(c3nc(=NC(=O)c4ccc(F)cc4)n(-c4ccc(Cl)cc4)[nH]3)CC2)cc1 1869970245 GLZJHOXYUMMDLX-UHFFFAOYSA-N 506.969 4.069 10 10 KICE CCOc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCN3CCOCC3)C2=O)cc1OCC 1873425589 HACVVPIUANXVEG-UHFFFAOYSA-N 558.679 4.416 10 10 KICE CCCn1c(N2C[C@@H](C)C[C@@H](C)C2)c(/C=C2\SC(=S)N(CCCOC)C2=O)c(C)c(C#N)c1=O 35521195 QJCNKZAZQOLBDL-POKCEJIYSA-N 502.706 4.158 10 10 KICE CCCn1c(N2C[C@H](C)C[C@@H](C)C2)c(/C=C2\SC(=S)N(CCCOC)C2=O)c(C)c(C#N)c1=O 39990130 QJCNKZAZQOLBDL-SJJRUYGKSA-N 502.706 4.158 10 10 KICE CCOC(=O)C1CCN(c2cc(N3CCN(C(=O)c4ccco4)CC3)c3c4c(onc24)-c2ccccc2C3=O)CC1 101434978 UQQZKSOVCLURSE-UHFFFAOYSA-N 554.603 4.374 10 10 KICE Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)Cc2ccccc2)o1 101442133 XVZGQVIUPUTPRP-OSZNWEDFSA-N 535.563 4.355 10 10 KICE CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C(=O)OC)c4)c3C)c(=O)n2[C@H]1c1cccs1 103698180 XJLZSRXNHSXGSF-GJFKPFFXSA-N 561.685 4.054 10 10 KICE COc1ccc([C@@H](C)NC(=O)C2=C(N)Oc3c(c(C)nn3-c3ccc(OC)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1 1864007231 IEBBMDLZTSTITI-DXPJPUQTSA-N 542.592 4.181 10 10 KICE Cc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(Cl)cc1)=C(N)O2 1864012350 YCPPELXQHSYZNR-RUZDIDTESA-N 549.002 4.497 10 10 KICE C[C@@H]1CCCCN1C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1865033930 KSRZBBZXJCGYPM-QRWLVFNGSA-N 528.531 4.457 10 10 KICE CCCCN(CCCC)C(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccccn2)[C@H]1c1ccc(O)c(O)c1 1865035654 YPJULRYOKAANGQ-HSZRJFAPSA-N 505.619 4.364 10 10 KICE CCCc1nn(CC)c2c1[C@H](c1c[nH]c3ccccc13)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865367033 AKKGQABZPSHAOE-SANMLTNESA-N 540.668 4.389 10 10 KICE CCCC[C@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867789423 DKDAAUAIZADDGK-BHBYDHKZSA-N 594.757 4.129 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)[C@H](c3ccc(OC)c(OC)c3)C(C)C)CC2)cc1 1868864681 YWRZCFYCPGTOAL-IGKIAQTJSA-N 543.730 4.039 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCC(c5ncncn5)CC4)nc(-c4cccc(OC)c4)n3)CC2)cc1 1869319825 RMAHJWSJHMUAOV-UHFFFAOYSA-N 538.656 4.056 10 10 KICE CCOC(=O)Cc1ccc(NC(=O)Cn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)cc1 1873977959 GJIZSFPSZZRRNA-UHFFFAOYSA-N 506.562 4.319 10 10 KICE COc1ccc(N2CCN(c3nc4ccc(C)cn4c(=O)c3C=C3SC(=S)N(Cc4ccco4)C3=O)CC2)cc1 2296154697 WSHPVKYQLYDKBB-UHFFFAOYSA-N 573.700 4.333 10 10 KICE O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)C1=CNc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 2297109839 BQFGMSOEVZXLQY-UHFFFAOYSA-N 531.377 4.373 10 10 KICE COc1cc(C=C2C(=N)N3C(SC)=NSC3=NC2=O)cc(Br)c1OC(=O)c1ccco1 2297341072 PDYUYZCPFXLHBI-UHFFFAOYSA-N 521.374 4.210 10 10 KICE CC(C)N1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(C)C)c2)SC1=S 2297467135 BDBLHTFTEUQSQD-UHFFFAOYSA-N 512.682 4.399 10 10 KICE COc1cc(C=C2SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OS(=O)(=O)c1ccc(F)cc1 2297577018 LFYQQBYAOVHLAK-UHFFFAOYSA-N 544.607 4.148 10 10 KICE CC1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C3SC(=S)N(CCS(=O)(=O)O)C3=O)c2)CC1 2314475989 GYSHVBRWGVLBSK-UHFFFAOYSA-N 632.811 4.049 10 10 KICE O=C(c1ccccc1)c1ccccc1Nc1nc(OC(C(F)(F)F)C(F)(F)F)nc(N2CCNCC2)n1 3084779 RJNYJDBFEJRINN-UHFFFAOYSA-N 526.441 4.128 10 10 KICE COc1cc2c(c(O)c1-c1c(OC)cc3c(c1O)C(=O)c1c(O)cc(C)cc1C3=O)C(=O)c1c(O)cc(C)cc1C2=O 85931205 CMYFTPKBPRIMRP-UHFFFAOYSA-N 566.518 4.361 10 10 KICE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C4CCCC4)C3=O)c(NC[C@H](O)c3ccccc3)nc12 102688358 YQOYVYGMTBSWRA-LQOIVRHRSA-N 506.653 4.292 10 10 KICE Cc1ccc(C)c(OCCOc2ccc(/C=C3\C(=N)N4N=C(CC(=O)N5CCCC5)SC4=NC3=O)cc2)c1 102726065 CVQWGNKJPDXRTA-WZOBNIDESA-N 531.638 4.393 10 10 KICE COc1ccc(CCN2C(=O)/C(=C/c3c(N4CCN(Cc5ccc6c(c5)OCO6)CC4)nc4ccccn4c3=O)SC2=S)cc1OC 150605328 VQJMJYKWSPWWKT-CEUNXORHSA-N 671.801 4.207 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 254865591 PYBFTGQGPRGPBA-MUUNZHRXSA-N 602.669 4.131 10 10 KICE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC)=C(N)O2 1864010185 JOJMNNLQWKDXFR-HXUWFJFHSA-N 533.412 4.000 10 10 KICE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)NCc2cccs2)[C@H]3c2ccc(O)c(O)c2)c1 1864012324 XTPRCYPBVXYIDS-DEOSSOPVSA-N 516.623 4.340 10 10 KICE CCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccco1)=C(N)O2 1864019373 JQIAKHWRSFXESD-OAQYLSRUSA-N 506.946 4.103 10 10 KICE CCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccncc1)=C(N)O2 1864022495 YAMUHCFEUIMFBK-SANMLTNESA-N 533.588 4.405 10 10 KICE CCOC(=O)c1c(NC(=O)[C@@H](CC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)sc2c1CCC2 1866006409 WLSMDEGCVFONFN-GOSISDBHSA-N 516.616 4.379 10 10 KICE CC(=O)Oc1ccc(C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867360416 KDDNRMHCCSYDAA-FIRIVFDPSA-N 601.704 4.271 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(N4CCN(C)CC4)cc3)C(=O)N(CCc3cnc[nH]3)C2=O)cc1 1873425709 CAZOVNWDWCWQGA-UHFFFAOYSA-N 549.679 4.004 10 10 KICE COc1cc(C=C2C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2C)ccc1OCC(=O)NCc1ccccc1 2297104465 YVXMPIYISKFAQG-UHFFFAOYSA-N 500.511 4.105 10 10 KICE Cc1cc(N2C(=O)NC(=O)C(=CNc3c(C)nn(Cc4ccccc4)c3C)C2=O)ccc1Br 2313548052 KARIHFJQPLQNFQ-UHFFFAOYSA-N 508.376 4.198 10 10 KICE COc1ccc(C=C2SC(=S)N(CC(=O)NC[C@@H](c3ccc(OC)cc3)N3CCCCC3)C2=O)cc1 2314625201 LGAKKHHXWAFSBM-QHCPKHFHSA-N 525.696 4.248 10 10 KICE CCn1c(N2C[C@H](C)O[C@H](C)C2)c(/C=C2/SC(=S)N(CCc3ccccc3)C2=O)c(C)c(C#N)c1=O 33475385 DKZUUCVPCKCJDQ-JDQAAXRKSA-N 522.696 4.106 10 10 KICE Cc1ccccc1NC(=O)CN1C(=O)/C(=C2/SC(=S)N(CCCCCC(=O)O)C2=O)c2ccccc21 33934223 BRKKGGBWSHDEDH-GHVJWSGMSA-N 523.636 4.197 10 10 KICE COc1ccc(CCN2C(=O)/C(=C\c3c(N4CCCCC4)nc4ccc(C)cn4c3=O)SC2=S)cc1OC 100885042 RFOCMTKGHZRHNC-XQNSMLJCSA-N 550.706 4.454 10 10 KICE COc1ccc(CCN2C(=O)/C(=C3/SC(=S)N(CCc4ccc(OC)c(OC)c4)C3=O)SC2=S)cc1OC 110711689 DSDVHHTZEGUKMV-DQRAZIAOSA-N 590.770 4.438 10 10 KICE COc1ccc([C@H]2CN(C)[C@@]3(C(=O)N(C)c4ccc(F)cc43)[C@@]23SC(=S)N(Cc2ccco2)C3=O)cc1OC 227072365 OZJVRWZLISMEPM-JTOILGAVSA-N 567.664 4.136 10 10 KICE O=C(CN1C(=O)C[C@H](N2C(=O)/C(=C/C=C\c3ccccc3)SC2=S)C1=O)Nc1cccc(C(F)(F)F)c1 254896130 BYRMONTUGSKGTD-OLAHRVDOSA-N 545.564 4.229 10 10 KICE COc1ccc([C@@H](C)NC(=O)C2=C(N)Oc3c(c(C)nn3Cc3ccccc3F)[C@@H]2c2ccc(O)c(O)c2)cc1 1864009199 CCSGRJSYSVCQSN-DXPJPUQTSA-N 544.583 4.371 10 10 KICE CC(C)NC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(F)c2)[C@H]1c1ccc(O)c(O)c1 1864016548 RYUAOYTZLJDRLP-HSZRJFAPSA-N 514.557 4.368 10 10 KICE CN1C(=O)C(C)(C)c2cc(C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)ccc21 1867203276 GSZDTTWYUKPUGB-MHZLTWQESA-N 587.632 4.401 10 10 KICE CCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N([C@H](CC(C)C)C(=O)O)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867471295 DXCDYFBYUCHLLD-FRXPANAUSA-N 633.790 4.090 10 10 KICE CCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N(C(=O)OC(C)(C)C)C2CCNCC2)n1 1867973944 SISMFMHLLIOJGC-UHFFFAOYSA-N 510.683 4.258 10 10 KICE CC(C)(C)c1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCN(C(=O)CCN3CCCC3)CC2)n1 1868340970 LHXLUYSHAVTPLL-UHFFFAOYSA-N 566.706 4.428 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](CSCc3ccccc3)NC(=O)[C@H](c3ccccc3)N(C)C)CC2)cc1 1868676075 JXNLFSXTJCDIBE-WDYNHAJCSA-N 546.737 4.065 10 10 KICE Cc1cc([N+](=O)[O-])ccc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCN(C)C)C1=O 1873421259 ODZFEMSEOGTIGU-UHFFFAOYSA-N 501.587 4.454 10 10 KICE CCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCc3ccc(OC)cc3)ncnc21 1875200576 DIJDQIUDVBGBCE-UHFFFAOYSA-N 500.603 4.043 10 10 KICE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OCCOc1ccc([N+](=O)[O-])cc1 2293253048 JEDLUUOUNYZNQD-UHFFFAOYSA-N 517.494 4.036 10 10 KICE O=C(C=Cc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1 2313785023 CJPVTYXJZHODLR-UHFFFAOYSA-N 528.890 4.003 10 10 KICE CC[C@@H](Oc1ccccc1C=C1SC(=S)N(c2c(C)n(C)n(-c3ccccc3)c2=O)C1=O)C(=O)O 2314931752 IHDRPZLUQDKHOD-GOSISDBHSA-N 509.609 4.132 10 10 KICE CCOc1cc(C=C2SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)ccc1OCCC(=O)O 2314935208 NPYKNQZJNMSRCA-UHFFFAOYSA-N 539.635 4.142 10 10 KICE Cc1ccc(CNc2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N(C[C@H]3CCCO3)C2=O)cc1 102836070 INLOGMAYRDQIGH-DBRLUCFCSA-N 506.653 4.304 10 10 KICE Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2 150342338 MOJZMWJRUKIQGL-UHNOTUFWSA-N 866.781 4.444 10 10 KICE in-vitro Cc1cc(/C=C2/C(=O)NC(=O)N(C3CCCCC3)C2=O)c(C)n1-c1ccc(N2CCOCC2)c(Br)c1 1083951031 QCIIKICYBFAQAA-JCMHNJIXSA-N 555.473 4.488 10 10 KICE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)NC2CC2)=C(N)O3)cc1 1864023239 WHXBVMCMHQZKSN-XMMPIXPASA-N 524.577 4.241 10 10 KICE NC1=C(C(=O)N2CCCC2)[C@@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(Cc3cccc(F)c3)c2O1 1865031840 PIKOURWNTTYZCI-DEOSSOPVSA-N 526.568 4.466 10 10 KICE CN(C)c1ccc([C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)OCc2ccccc2)c2nccn2C)cc1 1865994298 SAAHGYQEYNWWCI-KAYWLYCHSA-N 511.626 4.229 10 10 KICE Cc1nc2ccc(N3C[C@H](C(=O)NC[C@@H](c4ccc(N(C)C)cc4)N4CCCCC4)CC3=O)cc2s1 1866258743 HQSIYNJDSRGUAT-BWKNWUBXSA-N 505.688 4.367 10 10 KICE CCCC[C@@H](NC(=O)/C=C(\C)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867073728 FJLVZXHIJBHONF-RQXPBAAHSA-N 587.698 4.429 10 10 KICE O=C(N[C@H](Cc1ccc(F)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(C2CC2)on1 1867150640 PFGDUQVRKPYDHS-HSZRJFAPSA-N 523.520 4.446 10 10 KICE CN(C)c1ccc([C@@H](CNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)c2cccc(F)c2)N2CCCCC2)cc1 1867837411 AIANUVOVQFUTEK-FQLXRVMXSA-N 532.660 4.282 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccncc3)C(=O)N(Cc3nc4ccccc4[nH]3)C2=O)cc1 1873164307 VFDHURQZRZNLOI-UHFFFAOYSA-N 502.578 4.435 10 10 KICE COc1ccc(C=C2SC(=S)N(CC(=O)Nc3ncc(Cc4cccc([N+](=O)[O-])c4)s3)C2=O)cc1OC 2297297555 CLPGTUFEYLICCW-UHFFFAOYSA-N 556.647 4.499 10 10 KICE C[C@@H](c1ccccc1)N1C(=O)C(=Cc2c(NCCCn3ccnc3)nc3ccccn3c2=O)SC1=S 2297458870 SZTGWZPNTVDPLI-SFHVURJKSA-N 516.652 4.356 10 10 KICE COc1cc(C=C2SC(N(C(C)=O)c3ccc(C)cc3)=NC2=O)cc(I)c1O 2297459399 FPHOPWDDRPWABN-UHFFFAOYSA-N 508.337 4.337 10 10 KICE C[C@H]1Oc2ccc(-c3csc(NS(=O)(=O)c4ccc(Br)s4)n3)cc2N(C)C1=O 11858030 BCRFKTIABPHOEX-SECBINFHSA-N 500.421 4.179 10 10 KICE Cc1ccc(-c2ccc(/C=C3\SC(=S)N(NC(=O)CCN4CCCCC4)C3=O)o2)c([N+](=O)[O-])c1 35519037 IYGCWZYYSMKXOF-ZHZULCJRSA-N 500.602 4.272 10 10 KICE CCSc1nc(=O)c(-c2cc(Br)ccc2N/C=C2\C(=O)N(c3ccccc3)N=C2C)n[nH]1 100557656 DUEFPDPLOJSIBI-ATVHPVEESA-N 511.405 4.425 10 10 KICE COc1ccccc1[C@@H]1CC(c2cccn2C)=NN1C(=O)CN(CCN1CCOCC1)C(=O)c1ccc(C(F)(F)F)cc1 103231725 SHCYYZDJJXDLMS-MHZLTWQESA-N 597.638 4.205 10 10 KICE COc1ccc(CCN2C(=O)/C(=C\c3c(NC[C@@H]4CCCO4)nc4c(C)cccn4c3=O)SC2=S)cc1 103718483 FTUHYMCQMFLAQV-QCBCRBAMSA-N 536.679 4.046 10 10 KICE CC(C)(NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1Cl)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866622209 HTSHYSMGSSOWCA-UHFFFAOYSA-N 580.062 4.193 10 10 KICE C[C@H](NC(=O)c1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867725258 GLKSRNNWIFYZRT-KCWXNJEJSA-N 585.680 4.154 10 10 KICE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4c(C)cc(C)cc4C)cn3CCCO)CC2)cc1 1870379581 JWXSXLQMEBDCOO-UHFFFAOYSA-N 505.659 4.066 10 10 KICE COc1ccc(CN2C(=O)C(=Cc3c(NC[C@H]4CCCO4)nc4c(C)cccn4c3=O)SC2=S)cc1 2296697703 BSYZJALUWAPZIM-LJQANCHMSA-N 522.652 4.004 10 10 KICE CCc1ccc(OCCOc2ccc(C=C3C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)CC)cc2Cl)cc1 2297345726 WHNSHRZUVAYLFZ-UHFFFAOYSA-N 547.058 4.372 10 10 KICE COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)ccc1OCC(=O)N1CCCCC1 101745096 DIBJIYKPGKHXJU-KGENOOAVSA-N 590.521 4.395 10 10 KICE CCCn1c(NCc2ccc(OC)cc2)c(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c(C)c(C#N)c1=O 143317500 XKLCMOTUASHGIY-XBPUZACXSA-N 538.695 4.439 10 10 KICE C[C@@H]1C[C@H]1c1ccc(CN(C(=O)CN2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)[C@H]2CCS(=O)(=O)C2)o1 256042195 LRELHISQNTZOOJ-DARDVUJXSA-N 565.138 4.474 10 10 KICE COc1ccc(C2=C(O)C(=O)N(c3cc(OC)c(OC)c(OC)c3)[C@H]2c2ccc(O)c(O)c2)c(OC)c1 526634151 ZRWWDIGPFJIKEF-DEOSSOPVSA-N 509.511 4.198 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)c(OC)c(Br)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 1084059832 PBTNQMODYIBBRI-JOCHJYFZSA-N 635.378 4.398 10 10 KICE CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 1084639688 PTIGSHLUUQWACS-LJAQVGFWSA-N 569.683 4.019 10 10 KICE O=C(Nc1cc(O)cc2cc(S(=O)(=O)O)c(/N=N/c3ccccc3S(=O)(=O)O)c(O)c12)/C(Cl)=C/Cl 1615948611 PZZOPLPIHSOHOL-PHBWYKEUSA-N 562.365 4.417 10 10 KICE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(F)cc1)=C(N)O2 1864011286 FQVYGIOKUUYERV-RUZDIDTESA-N 549.002 4.497 10 10 KICE CCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(F)cc2)[C@@H]1c1ccc(O)c(O)c1 1864015283 NXRDFGGRSUANDF-SFHVURJKSA-N 520.483 4.111 10 10 KICE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)N2CCOc4ccccc42)[C@@H]3c2ccc(O)c(O)c2)c1 1865025748 CTXDNFYVXAHPRT-HHHXNRCGSA-N 538.604 4.388 10 10 KICE CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(c3cccc(C)c3)CC1)=C(N)O2 1865030219 GEKGKLOESLKUIZ-VWLOTQADSA-N 531.657 4.009 10 10 KICE CCCCOc1ccc([C@@H]2C(C(=O)N3CCN(c4ccc(OC)cc4)CC3)=C(N)Oc3c2c(CC)nn3C)cc1 1865243839 YJYYOJUHUXHUSE-SANMLTNESA-N 545.684 4.213 10 10 KICE O=C(N[C@H](Cc1ccc(O)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(-c2ccco2)on1 1866644942 RBRILXFHDSQLGW-HSZRJFAPSA-N 547.523 4.395 10 10 KICE COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2C[C@@H](C)N(c3ccccc3)[C@H](C)C2)n1 1869112544 WMMKYPPRRIIRFW-DNQXCXABSA-N 516.690 4.104 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)[C@H]4CCCO4)n(-c4ccc(Cl)c(Cl)c4)n3)CC2)cc1 1869969019 AOAGWQSNVWADMD-OAQYLSRUSA-N 517.417 4.027 10 10 KICE CCCCOC(=O)c1cccc(-c2ccc(C=C3C(=O)N(c4ccc(S(N)(=O)=O)cc4)N=C3C)o2)c1 2297624544 VETBLRKZHCOUNK-UHFFFAOYSA-N 507.568 4.357 10 10 KICE CC(C)Oc1ccc(C=C2SC(N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)=NC2=O)cc1 2328652927 FPOVPDJWYNHLMA-UHFFFAOYSA-N 506.049 4.104 10 10 KICE CCN(CC)c1ccc(CN(CCOC)C(=O)COC)c(OS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 103418276 GRLPFTRCPMUIFP-UHFFFAOYSA-N 533.474 4.229 10 10 KICE N#Cc1ccccc1[C@@H]1N[C@](Cc2c[nH]c3ccccc23)(C(=O)O)[C@H]2C(=O)N(Cc3ccc4c(c3)C(=O)c3ccccc3C4=O)C(=O)[C@@H]21 150657025 JSEXHLURYMHSIQ-YZHSPQTCSA-N 634.648 4.327 10 10 KICE CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccc(/N=N/c2ccccc2)cc1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)Nc1ccccc1 150667000 QEKLQEDHXHSXSP-OSFHUZGXSA-N 852.010 4.228 10 10 KICE CCCOc1c(I)cc(I)cc1/C=C1\C(=O)NC(=O)N(CCc2ccccc2)C1=O 164065811 QNINOEMGTZXJKW-SFQUDFHCSA-N 630.220 4.389 10 10 KICE CCOc1cccc(C2=C(O)C(=O)N(c3ccc(C(=O)OCCOC)cc3)[C@@H]2c2ccc(O)c(O)c2)c1 526562431 LIWLZCOQZKOWHA-RUZDIDTESA-N 505.523 4.357 10 10 KICE COc1ccc([C@H](C)NC(=O)C2=C(N)Oc3c(c(C)nn3-c3ccccc3)[C@@H]2c2ccc(O)c(O)c2)cc1 1864007276 JLNZMGHAMOLBDH-LMKMVOKYSA-N 512.566 4.173 10 10 KICE CCOc1cc(N2CCOCC2)c(OCC)c2c(=O)cc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)[nH]c12 1866529466 GIIHGIHWENTESO-UHFFFAOYSA-N 567.598 4.190 10 10 KICE CSCC[C@@H](NC(=O)c1cc(-c2ccco2)on1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866640635 BONJDEIOXBDDQI-LJQANCHMSA-N 515.547 4.200 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)CC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 1868713993 XJDZOARFXALFLM-HXUWFJFHSA-N 507.581 4.349 10 10 KICE COc1ccc(N2CCN(c3cc(N4CC(=O)N5CCc6c(F)cccc6[C@@H]5C4)nc(C(C)(C)C)n3)CC2)cc1 1869190810 KAKYVWRYRUQOBT-SANMLTNESA-N 544.675 4.194 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)c4sccc4C)n(-c4ccc(OC)cc4)n3)CC2)cc1 1869969470 CXRVSFAOUAZFRE-UHFFFAOYSA-N 504.616 4.233 10 10 KICE COCCCn1cc(OCc2c(C)cccc2C)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870489692 PBDJXLFNFSGOQY-UHFFFAOYSA-N 505.659 4.411 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3cn(C)c4ccccc34)C(=O)N(CCc3cnc[nH]3)C2=O)cc1 1873162517 ZGMTWRHLCAIIMH-UHFFFAOYSA-N 532.648 4.464 10 10 KICE CCCCNc1nc2ccccn2c(=O)c1C=C1SC(=S)N(CCc2ccc(OC)c(OC)c2)C1=O 2297457841 GLZLVAMEQDBABY-UHFFFAOYSA-N 524.668 4.368 10 10 KICE Cc1ccc2nc(N3C[C@@H](C)O[C@H](C)C3)c(C=C3SC(=S)N(CCc4ccccc4)C3=O)c(=O)n2c1 2314400201 KYODFNRUYBVFLI-RTBURBONSA-N 520.680 4.060 10 10 KICE Cn1cccc1C1=NN(C(=O)CN(CCN2CCOCC2)C(=O)c2ccccc2Cl)[C@H](c2ccc(Cl)cc2)C1 101023942 BKQFOQQKGGOPIF-MHZLTWQESA-N 568.505 4.484 10 10 KICE COc1ccc(CCN2C(=O)/C(=C/c3c(C)c(C#N)c(=O)n(C)c3N3CCN(c4ccc(F)cc4)CC3)SC2=S)cc1 110520463 YFOBAJIKFMEPSG-IMRQLAEWSA-N 603.745 4.484 10 10 KICE CC1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3/SC(=S)N(CCS(=O)(=O)O)C3=O)c2)CC1 150657863 GYSHVBRWGVLBSK-JJIBRWJFSA-N 632.811 4.049 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)cc3O)c(=O)n2[C@@H]1c1ccc(Cl)cc1 1084393470 IEOROJKAXCEKHB-XMMPIXPASA-N 526.058 4.004 10 10 KICE Cc1ccc(CCNC(=O)C2=C(N)Oc3c(c(C)nn3Cc3ccc(C)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1 1864012251 VRRYYFAJURNSBJ-MHZLTWQESA-N 524.621 4.321 10 10 KICE CCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)C13CC4CC(CC(C4)C1)C3)=C(N)O2 1864021277 OOSOHYXUALGXFJ-FOFPOYTISA-N 506.647 4.292 10 10 KICE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C)C1)=C(N)O2 1865029277 JQYMTOTYOSJBQE-MZNJEOGPSA-N 518.614 4.198 10 10 KICE CC(=O)Nc1cccc(C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867638022 HELNCGCSWXALMF-JSOSNVBQSA-N 571.722 4.101 10 10 KICE CCc1ccc(Nc2nc(=NCCCN(CC)CC)nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]2)cc1 1871585651 KQJIQXIGIVVJQX-UHFFFAOYSA-N 518.710 4.079 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(N4CCN(C)CC4)cc3)C(=O)N(C[C@H]3CCCO3)C2=O)cc1 1873419454 GANWDRNIEMVUSA-MUUNZHRXSA-N 539.680 4.217 10 10 KICE COC(=O)Cc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C[C@@H]3CCCO3)C2=O)cc1 1873419741 QYSHDJJQWSJIIU-VWLOTQADSA-N 513.594 4.181 10 10 KICE COc1ccc([N+](=O)[O-])cc1-c1ccc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)o1 2294094906 CWPSAIKMNULEBM-UHFFFAOYSA-N 512.272 4.292 10 10 KICE Cc1cccn2c(=O)c(C=C3SC(=S)N(CCc4ccccc4)C3=O)c(NC[C@@H]3CCCO3)nc12 2314413757 GWPIZFFOERAPBY-IBGZPJMESA-N 506.653 4.038 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](CSCc3ccccc3)NC(=O)c3cccc(C)c3)CC2)cc1 1862286756 XLPDKARBHAIFCS-MHZLTWQESA-N 503.668 4.384 10 10 KICE CN(C)c1ccc([C@H](CNC(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)N2CCCCC2)cc1 1866024357 PNTMLIHJHWOCQF-VMPREFPWSA-N 524.665 4.303 10 10 KICE CCC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866605256 PIDOVDQBGZQEGN-AREMUKBSSA-N 575.577 4.388 10 10 KICE O=C(CC(c1ccc(F)cc1)c1ccc(F)cc1)N[C@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866755439 DMOJUMROEAGBEV-HHHXNRCGSA-N 554.549 4.378 10 10 KICE Cc1ccc(CC(=O)N[C@H](Cc2ccc(F)cc2)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)o1 1867250985 RSYQREGBHKUHME-RUZDIDTESA-N 510.521 4.411 10 10 KICE CN(C)c1ccc([C@H](CNC(=O)[C@H](CSCc2ccccc2)NC(=O)c2ccc(NS(C)(=O)=O)cc2)N2CCCCC2)cc1 1867605446 MJGWSTSSBQXGMO-CONSDPRKSA-N 637.872 4.499 10 10 KICE COc1c(Cl)ccc(Cl)c1C(=O)NCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867745845 NOBUJPQZYJPLTD-OAQYLSRUSA-N 507.462 4.141 10 10 KICE CCCCCCN1C(=O)C(=Cc2c(N3C[C@H](C)O[C@@H](C)C3)nc3ccc(C)cn3c2=O)SC1=S 2314400458 MYCYEYDLBIEKAA-ROUUACIJSA-N 500.690 4.398 10 10 KICE C[C@H]1CN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(Cc3ccccc3Cl)C2=O)C[C@H](C)O1 100851192 NXSNNHXODKETCC-KJJXXWTESA-N 527.071 4.363 10 10 KICE CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1ccc(F)cc1 103753774 RTRHHHYINXEAAU-WTDOPDLHSA-N 527.621 4.141 10 10 KICE CCCCn1c(NCCc2ccc(OC)c(OC)c2)c(/C=C2\SC(=S)N(CCC(=O)O)C2=O)c(C)c(C#N)c1=O 143341555 XTUHDVGRKQJWBR-HAHDFKILSA-N 584.720 4.176 10 10 KICE CCCCn1c(NCc2ccc3c(c2)OCO3)c(/C=C2\SC(=S)N(CCCOC)C2=O)c(C)c(C#N)c1=O 143350428 WTBKCAXIAVGSBH-QRVIBDJDSA-N 554.694 4.407 10 10 KICE COc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc(I)c1OS(=O)(=O)c1ccc(C)cc1 150481331 XPBKRPOUNCKUNB-NDENLUEZSA-N 632.432 4.351 10 10 KICE CCOc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC)ccc1O[C@H](C)c1ccccc1 205729989 XFFJJBCNRCARKV-DUUBSPRGSA-N 512.613 4.237 10 10 KICE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(CCCC(=O)O)C2=O)c(C)c1 213208751 XIDIVNBACPKHKF-UYRXBGFRSA-N 509.609 4.478 10 10 KICE Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C(=O)NC2CC2)[C@@H]3c2ccc(O)c(O)c2)cc1 1864016349 MXJPIMOKMJDXSJ-XMMPIXPASA-N 508.578 4.291 10 10 KICE Cc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOc3ccccc31)=C(N)O2 1865025635 AXMNWKFMPZKMGA-VWLOTQADSA-N 544.995 4.425 10 10 KICE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)N1C[C@@H](C)C[C@@H](C)C1)[C@H]2c1ccc(O)c(O)c1 1865033778 HYAYXFYBVIJORJ-MFEFFIJZSA-N 518.614 4.189 10 10 KICE CCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCc3ccccc3C1)=C(N)O2 1865035250 PFAIGXXQSPPVQR-AREMUKBSSA-N 540.595 4.324 10 10 KICE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1ccc(C)cc1 1865190135 BQXLQJXGCLNLIG-OAQYLSRUSA-N 541.574 4.282 10 10 KICE O=C(Nc1ccc(F)c(F)c1)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866856834 BKWSGMYYJSNZLG-RUZDIDTESA-N 571.511 4.184 10 10 KICE CC[C@@](C)(NC(=O)Cc1ccc2nc(O)c(C(C)C)cc2c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868913135 OVDRMTPSGCKZSI-SSEXGKCCSA-N 518.658 4.249 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)c4cc(Cl)ccc4[N+](=O)[O-])n(C(C)(C)C)n3)CC2)cc1 1869970703 NZPKHEIVNMAJSL-UHFFFAOYSA-N 513.986 4.182 10 10 KICE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccccc4F)cn3Cc3ccncc3)CC2)cc1 1870341762 FAKMDKWMEVMKGK-UHFFFAOYSA-N 514.601 4.341 10 10 KICE COCCCN1C(=O)C(Nc2ccccc2N2CCOCC2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873420013 GECWWKKZAWDUNZ-UHFFFAOYSA-N 514.626 4.159 10 10 KICE CC(=O)NCCN1C(=O)C(Nc2ccccc2Br)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422321 QTZOVQFMIWNYBE-UHFFFAOYSA-N 521.415 4.185 10 10 KICE O=C1NC(=S)N(c2cc(Cl)cc(Cl)c2)C(=O)C1=Cc1cn(CC(=O)N2CCCC2)c2ccccc12 2294973161 APICNQWSUMRFFM-UHFFFAOYSA-N 527.433 4.402 10 10 KICE Cc1ccc(N2NC(=O)/C(=C\c3ccc(-c4ccc(S(=O)(=O)Nc5nccs5)cc4)o3)C2=O)cc1C 6038860 MILUXFDUQBIKFC-KGENOOAVSA-N 520.592 4.282 10 10 KICE COc1ccc(/C=C2\SC(=S)N(CCC(=O)N(Cc3ccc([C@@H]4C[C@H]4C)o3)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 101911411 CEUSTVFLZUWVAX-XWIFLYEUSA-N 574.746 4.219 10 10 KICE CC(=O)N1N=C(c2ccc(I)o2)O[C@@H]1/C(=C\c1ccc(N(C)C)cc1)NC(=O)c1ccccc1 105775115 VIJQSKYTMZHSNT-JIPFHLNWSA-N 570.387 4.288 10 10 KICE CCCCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(c2c(C)n(C)n(-c3ccccc3)c2=O)C1=O 110077363 SINBLHFIDHXHFT-SILNSSARSA-N 546.678 4.110 10 10 KICE COc1ccc(CCN2C(=O)/C(=C/c3c(C)c(C#N)c(=O)n(C)c3NCc3ccc4c(c3)OCO4)SC2=S)cc1 143280762 YFXKHGDCMDWIQV-MXAYSNPKSA-N 574.684 4.359 10 10 KICE Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)NCc2ccncc2)[C@@H]3c2ccc(O)c(O)c2)cc1 1864016016 YRPUPEUKLBEAEN-HXUWFJFHSA-N 537.498 4.017 10 10 KICE COc1cc(/C=C2\C(=O)N(Cc3cccc(Cl)c3)N=C2C(F)(F)F)ccc1OCCN1CCOCC1 1865665288 LNNJXFWDAVKSMI-ZHZULCJRSA-N 523.939 4.404 10 10 KICE CC(=O)Oc1ccc(C[C@@H](NC(=O)c2ccc(N(C)C)cc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867885187 GVRUMKIEYJERPZ-CZNDPXEESA-N 599.776 4.428 10 10 KICE CC[C@](C)(NC(=O)Cc1sc(NC(C)=O)nc1-c1cccs1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868626934 BQBQAEOADSIVML-MHZLTWQESA-N 555.726 4.015 10 10 KICE COc1ccc(N2CCN(C(=O)c3cn(-c4ccc(Cl)c(C(F)(F)F)c4)c(=O)cc3O)CC2)cc1 1870130855 UXQCADVRRJAQDA-UHFFFAOYSA-N 507.896 4.186 10 10 KICE CCOC(=O)Cc1csc(NC(=O)COc2ccc(/C=C3/SC(=S)N(CC(C)C)C3=O)cc2)n1 1871287576 QLJJXLFBBBHQBF-GIJQJNRQSA-N 519.670 4.123 10 10 KICE COCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCCCCc3ccccc3)ncnc21 1875226274 XJQDMLOTKZOXCS-UHFFFAOYSA-N 542.684 4.484 10 10 KICE COc1ccc(CNc2nc3c(C)cccn3c(=O)c2C=C2SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1 2296710704 SEFIWUBQMLZJNF-IBGZPJMESA-N 522.652 4.004 10 10 KICE C[C@H](O)[C@@H](C(=O)O)N1C(=O)C(=Cc2cn(CCOc3ccc(Cl)cc3)c3ccccc23)SC1=S 2318683323 BXKQZEBBEMYYJH-QKKBWIMNSA-N 517.028 4.409 10 10 KICE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCCCOc4ccccc4Cl)cc3)C(=N)N21 101395521 QVBGBXAZDPAJRN-GKGWXCJVSA-N 533.031 4.199 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OCc4ccccc4)cc3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 252671649 NWDPSNJBWIEXRH-GDLZYMKVSA-N 553.684 4.443 10 10 KICE Cc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCC1=CCCCC1)=C(N)O2 1864012080 QNMGFTPRDRRLDT-RUZDIDTESA-N 518.589 4.491 10 10 KICE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCC1)=C(N)O2 1864012188 UFMMYKNTCHZOOH-HSZRJFAPSA-N 509.006 4.448 10 10 KICE Cc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@H](C)C1)=C(N)O2 1865029693 TVARQLFWERAMOS-KRXBEKAOSA-N 526.593 4.076 10 10 KICE CN(Cc1ccccc1)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccn2)[C@@H]1c1ccc(O)c(O)c1 1865034244 SAFCADAPIANTCT-FQEVSTJZSA-N 537.498 4.051 10 10 KICE NC1=C(C(=O)N2CCCC2)[C@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(Cc3ccc(Cl)cc3)c2O1 1865034344 UGIPPXASXPFDQP-GOSISDBHSA-N 534.922 4.332 10 10 KICE CC[C@@H](NC(=O)c1cc(-c2cc(F)ccc2OC)n(C)n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867105564 JIWKNVPWFDROQY-OAQYLSRUSA-N 540.551 4.157 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)[C@H](Cc3ccccn3)c3ccccc3)CC2)cc1 1868665101 URORXOGTJVXVFZ-ROJLCIKYSA-N 564.686 4.198 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCO[C@@H](c5ccncc5)C4)nc(-c4cccc(OC)c4)n3)CC2)cc1 1869314406 NQULUNNBSPWBNK-MUUNZHRXSA-N 538.652 4.460 10 10 KICE CCN(CCc1ccncc1)c1nc(=Nc2cc(Cl)ccc2O)nc(N(CC)CCc2ccncc2)[nH]1 1871733072 ZYMQVJBQPAVOTB-UHFFFAOYSA-N 519.053 4.324 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NC3CCN(C)CC3)C(=O)N(CCCc3nc4ccccc4[nH]3)C2=O)cc1 1873170571 GANBGKLOJNXVSL-UHFFFAOYSA-N 536.680 4.367 10 10 KICE CC(=O)NCCN1C(=O)C(Nc2ccc(OC(C)C)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422170 JOVMXOBJJCZMOK-UHFFFAOYSA-N 500.599 4.209 10 10 KICE COc1ccc(N2CCN(CCC(=O)c3cccc(NC(=O)c4c(OC)cccc4OC)c3)CC2)cc1 1874720395 MGYGXUMDOASQOR-UHFFFAOYSA-N 503.599 4.360 10 10 KICE O=C1C(=Cc2nc3ccc(I)cc3c(=O)n2CCCO)c2ccccc2N1Cc1ccccc1 2297311500 DNACIHJJLFMVFC-UHFFFAOYSA-N 563.395 4.471 10 10 KICE CN(C)c1ccc(/C=C/CN[C@H]2C[C@@H](C(=O)NCc3cccnc3)N(Cc3ccccc3Cl)C2)cc1 20774096 BFLFGVKOGQFDDC-XDQQXXSYSA-N 504.078 4.363 10 10 KICE COc1ccc(CCN2C(=O)/C(=C\c3c(NCc4ccco4)nc4ccccn4c3=O)SC2=S)cc1 33774644 VIAKJFWLPCMLCU-RCCKNPSSSA-N 518.620 4.352 10 10 KICE O=C1/C(=C\c2c(N3CCN(Cc4ccccc4)CC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccccc1 100884313 XHYQFYDCOOZGMJ-NCELDCMTSA-N 553.713 4.418 10 10 KICE Cc1ccc(C(C)C)c(Oc2nc3ccccn3c(=O)c2/C=C2\SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)c1 213161824 PYRPJDIZHDXEBA-WBRURWICSA-N 555.703 4.307 10 10 KICE Cc1cn([C@@H]2O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@H](O)[C@@H]2N=[N+]=[N-])c(=O)nc1O 616586961 UJSNBJFRRVDUSB-DPRQWMOBSA-N 525.565 4.203 10 10 KICE CCCCOCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(Cl)cc2)[C@H]1c1ccc(O)c(O)c1 1864007424 MJCSRJUNQFTCBY-HSZRJFAPSA-N 527.021 4.263 10 10 KICE CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1c[nH]c3ccccc13)=C(N)O2 1864017011 CGZILZGEPAMELT-SANMLTNESA-N 535.604 4.381 10 10 KICE CCc1ccc([C@@H](C)NC(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3CC)[C@H]2c2ccc(O)c(O)c2)cc1 1864022030 JEPVDNKGOKJZQQ-BFUOFWGJSA-N 516.520 4.467 10 10 KICE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCCc1ccccc1)[C@H]2c1ccc(O)c(O)c1 1864022090 KQBMAKUCCZATLA-IBGZPJMESA-N 516.520 4.167 10 10 KICE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCCc3ccccc31)[C@H]2c1ccc(O)c(O)c1 1865033457 AFQYPNVKHCNMNR-SFHVURJKSA-N 500.477 4.007 10 10 KICE CCCC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867689767 JNGKSXHBHKLVRR-IHLOFXLRSA-N 648.270 4.059 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)CCCOc4ccc5ccccc5c4)n(C)n3)CC2)cc1 1869969026 AVCCQKYADQBKHC-UHFFFAOYSA-N 500.603 4.101 10 10 KICE CCCCCCN=c1nc(Nc2ccc3n[nH]cc3c2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871630322 JXRVJUQBSRLJHM-UHFFFAOYSA-N 501.639 4.241 10 10 KICE CCN1C(=O)C(=Cc2cc(I)cc(I)c2OC)SC1=S 2296453286 IJRAOUPDQLYFDA-UHFFFAOYSA-N 531.178 4.126 10 10 KICE COc1cc(C=C2C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)ccc1OCc1ccccc1F 2297470057 UHURQSWYEXMMOO-UHFFFAOYSA-N 535.601 4.435 10 10 KICE CCCCCN1C(=O)/C(=C\c2c(N3CCC(C(=O)OCC)CC3)nc3c(C)cccn3c2=O)SC1=S 33769250 OKHZHGHSZNWWHC-CAPFRKAQSA-N 528.700 4.174 10 10 KICE COC(=O)c1ccccc1NC(=O)COc1ccc(/C=C2\C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)cc1OC 101574584 JOWZVNMRCQUNJP-HMAPJEAMSA-N 543.532 4.004 10 10 KICE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOCC)=C(N)O2 1864011564 VIXJIBIUQVPQGI-JOCHJYFZSA-N 527.021 4.127 10 10 KICE CCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(C)c1)=C(N)O2 1864019578 MTKHWXSEZKTWEF-RUZDIDTESA-N 510.594 4.224 10 10 KICE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@H](C)C1)=C(N)O2 1865030253 GUXPHNWSYOKUMA-UNVFRBQDSA-N 546.668 4.242 10 10 KICE CN(C)c1ccc([C@@H](NC(=O)c2cc(O)c3cc(I)cc(F)c3n2)c2nccn2C)cc1 1866529048 NAOIJPRKLCAULG-HXUWFJFHSA-N 545.356 4.003 10 10 KICE Cn1nc(C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1-c1ccco1 1867240900 SAVWQGWYHZGCIO-XMMPIXPASA-N 560.566 4.141 10 10 KICE COc1ccc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867312842 AMZGVCKBTXOKDL-XZWHSSHBSA-N 544.696 4.151 10 10 KICE CC[C@](C)(NC(=O)c1ccc2c(c1)C(=O)N([C@@H](CC(C)C)C(=O)O)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867476185 GYDYGDGJNCHOJV-RLSUVSHZSA-N 633.790 4.090 10 10 KICE C[C@H](C(=O)O)N1C(=O)c2ccc(C(=O)N[C@@H](CSCc3ccccc3)C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O 1867498744 JUBATVPYVUAXDK-AVCZWDQHSA-N 685.847 4.197 10 10 KICE Cc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCNC(=O)[C@H]2c2ccc(F)cc2)n1 1868481576 VYHTVCJJRQJOMF-AREMUKBSSA-N 507.525 4.121 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCc3cccnc3)C(=O)N(Cc3ccc4c(c3)OCO4)C2=O)cc1 1873163960 FLDIDUXTNBACQX-UHFFFAOYSA-N 506.562 4.288 10 10 KICE COc1cc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCc3cnc[nH]3)C2=O)cc(OC)c1 1873426453 YRXWDXZJFXWGTG-UHFFFAOYSA-N 511.582 4.269 10 10 KICE CCCCN1C(=O)C(=C2SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c2ccccc21 2296543594 OUVOOSKJYZWNEF-UHFFFAOYSA-N 504.637 4.407 10 10 KICE Cc1cc(Br)c(N2C(=O)NC(=O)C(=Cc3c(C)nn(-c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3C)C2=O)cc1C 2313548357 TWKXRWFWTINZKY-UHFFFAOYSA-N 583.355 4.351 10 10 KICE Cc1cccn2c(=O)c(C=C3SC(=S)N([C@@H]4CCS(=O)(=O)C4)C3=O)c(Oc3ccc(Cl)cc3Cl)nc12 2314509746 YIKCTIUYLRQZAN-CQSZACIVSA-N 582.512 4.490 10 10 KICE CCOc1cc(C=C2SC(=S)N(CCCCCC(=O)O)C2=O)ccc1OCC(=O)N(CC)CC 2314754660 XYQYNASVGXRUPT-UHFFFAOYSA-N 508.662 4.179 10 10 KICE CC[C@@H](C)Oc1c(I)cc(/C=C2/C(=O)NC(=O)N(C3CCCCC3)C2=O)cc1OC 9259660 WFMZYPVYKOFOAX-YDRQLGOLSA-N 526.371 4.272 10 10 KICE CN(C)c1ccc([C@H]2CC(c3cccc(Br)c3)=NN2C2=NC(=O)[C@@H](CC(=O)O)S2)cc1 72413088 SSEAUWSEFXBJNF-RTBURBONSA-N 501.406 4.139 10 10 KICE COc1ccccc1N1CCN(c2nc3ccc(C)cn3c(=O)c2/C=C2/SC(=S)N(CC(C)C)C2=O)CC1 103706737 TUDCKNIJJQRNBZ-HZHRSRAPSA-N 549.722 4.195 10 10 KICE C/C(NCCCCN[C@H](C)[C@H]1N=C(c2ccc(Cl)cc2)OC1=O)=C1/N=C(c2ccc(Cl)cc2)OC1=O 103840427 IPFLJLUJCGYYEL-BGMROPCISA-N 529.424 4.248 10 10 KICE COc1ccc(-c2nn(CC(C)C)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)NCCC(C)C)=C(N)O3)cc1 1864017723 SPWVQUCHPPTVCR-QHCPKHFHSA-N 520.630 4.483 10 10 KICE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CCO)=C(N)O2 1865029934 YTCIJEQHSGLIKY-NRFANRHFSA-N 547.439 4.078 10 10 KICE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)N2CCCC2)=C(N)O3)cc1 1865033470 ALPSSPJVTHKFOS-RUZDIDTESA-N 538.604 4.335 10 10 KICE CC(=O)Oc1ccc(C[C@@H](NC(=O)c2ccccc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867774521 LCUCAHZYFGRLPW-FIRIVFDPSA-N 556.707 4.362 10 10 KICE CCCC[C@H](NC(=O)Cc1csc(COc2ccccc2)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868597444 YPAGIJAVFYHXQV-SANMLTNESA-N 536.698 4.297 10 10 KICE CCCC[C@@H](NC(=O)c1sc(CNC(=O)OC(C)(C)C)nc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868921242 BAWJFNNVPMJKGZ-JOCHJYFZSA-N 559.733 4.122 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)[C@@H](CC(C)C)c3ccc(OC)c(Br)c3)CC2)cc1 1869006713 DJLITHWCAGJLLW-CVDCTZTESA-N 546.506 4.450 10 10 KICE CCCC[C@H](NC(=O)c1c(C)cc(C)n(-c2ccccc2)c1=O)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869011461 URTWXDLGBFZYSS-MHZLTWQESA-N 530.669 4.100 10 10 KICE COc1cc(C=C2C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 2296056470 QQNGADNQGISPNE-UHFFFAOYSA-N 514.523 4.245 10 10 KICE Cc1ccc2nc(N3CCN(Cc4ccccc4)CC3)c(C=C3SC(=S)N(C4CCCC4)C3=O)c(=O)n2c1 2297461146 JAVQTLDPNYGVMZ-UHFFFAOYSA-N 545.734 4.469 10 10 KICE Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccc(F)cc4)C3=O)c(N3C[C@H](C)O[C@H](C)C3)nc12 33473370 JMEFQFFUYRVHLZ-XHLHXLRASA-N 524.643 4.157 10 10 KICE COc1ccc(CN2C(=O)/C(=C3\C(=O)N(CC(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)c4ccccc43)SC2=S)cc1 102842260 KHLOUEITTITLGC-BYCLXTJYSA-N 625.732 4.250 10 10 KICE CCc1nn2c(=O)cc(COc3ccc(/C=C4\C(=N)N5C(=NC4=O)SN=C5SC(C)C)cc3)nc2s1 104709495 XHKQIOMWKBQZMP-UOIDATNWSA-N 539.668 4.011 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)c(OCC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 1083989848 ZLKCSIVQLOZNKI-XMMPIXPASA-N 600.535 4.034 10 10 KICE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCC1)=C(N)O2 1864013108 QGTBMIIMXKHWSH-DEOSSOPVSA-N 502.615 4.357 10 10 KICE O=C(CCc1ncc2ccccn12)N[C@H](Cc1ccc(O)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866894839 MMOFRRCSLGWRID-HHHXNRCGSA-N 558.594 4.114 10 10 KICE CCOCCCn1cc(OCc2ccc(C)cc2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870766792 XVMSPYUKBLTXEQ-UHFFFAOYSA-N 505.659 4.493 10 10 KICE CCOc1ccc(C)cc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCN2CCOCC2)C1=O 1873425634 JIMCSYBPXCGNBG-UHFFFAOYSA-N 528.653 4.325 10 10 KICE COc1ccc(N2CCN(CCC(=O)c3cccc(OC(=O)Cc4ccccc4[N+](=O)[O-])c3)CC2)cc1 1874730255 OVCXPAHMXKGZQJ-UHFFFAOYSA-N 503.555 4.147 10 10 KICE COc1ccc(N2CCN(C(=O)c3cc4c(NCCCCCCO)ncnc4n3Cc3ccco3)CC2)cc1 1875237665 VPAUKHCYWCEUJG-UHFFFAOYSA-N 532.645 4.008 10 10 KICE Cc1ccc(S(=O)(=O)c2nc(C=C3SC(=S)N(Cc4ccccc4)C3=O)oc2N2CCOCC2)cc1 2297464877 VSNQQYDZNLSBGJ-UHFFFAOYSA-N 541.676 4.054 10 10 KICE Cc1ccc2nc(N3CCC[C@@H](C)C3)c(C=C3SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(=O)n2c1 2314414117 QBTBWDAOEKADHC-MRXNPFEDSA-N 534.663 4.369 10 10 KICE O=C(CN1C(=O)C(=C2SC(=S)NC2=O)c2cc(Br)ccc21)Nc1ccccc1C(F)(F)F 2314952240 XUDUWDOFFBXTSA-UHFFFAOYSA-N 542.358 4.312 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)C=Cc3ccc(C)cc3)CC2)cc1 2328562282 YBILPNXNJPZBBH-MUUNZHRXSA-N 501.602 4.232 10 10 KICE O=C1/C(=C\NCCN2CCOCC2)C(CSc2ccc(Cl)cc2)=NN1c1nc2ccccc2s1 101421862 FCSGAYFCGUJQTG-CYVLTUHYSA-N 514.076 4.250 10 10 KICE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOc3ccccc31)=C(N)O2 1865028922 BGDSRRSFLPEQEB-RUZDIDTESA-N 524.577 4.356 10 10 KICE C[C@H](NC(=O)CCN(Cc1ccccn1)C(=O)OC(C)(C)C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867078376 QWFVOHVOOZJECT-IBGZPJMESA-N 556.619 4.128 10 10 KICE CSCC[C@H](NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867848437 JYEDIQLBEASIAT-OZXSUGGESA-N 586.715 4.072 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)CCC(=O)c4cccs4)n(-c4ccccc4)n3)CC2)cc1 1869969642 HGOTUBQHEBQCMD-UHFFFAOYSA-N 516.627 4.266 10 10 KICE O=C1NC(=S)N(c2cccc(Br)c2)C(=O)C1=Cc1cc(I)c(O)c(I)c1 2294259032 CCQAHFPZPIUJAL-UHFFFAOYSA-N 655.049 4.195 10 10 KICE O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C\c1ccccc1OS(=O)(=O)c1ccccc1 2320053 FVHOZCUANIPBSC-CLCOLTQESA-N 505.621 4.247 10 10 KICE Cc1c(N2C(=O)/C(=C\c3c(NC[C@H](O)c4ccccc4)nc4ccccn4c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C 101012807 XMBQQAMYEYVJRM-HHEUTOACSA-N 610.721 4.044 10 10 KICE COc1cc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCc1ccc(Cl)cc1Cl 101397278 WFOOSNBXFDGEGV-KHHNAJNHSA-N 539.422 4.202 10 10 KICE COc1cc(/C=C2\C(=N)N3C(SC)=NSC3=NC2=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 104557436 USMKISHZAVQGEB-LANNQIRMSA-N 537.044 4.364 10 10 KICE O=C1c2ccccc2C(=O)c2c(NC(=O)C3CCN(C(=O)COc4ccccc4Cl)CC3)cccc21 1860592979 MRQZLLTWVZPDHZ-UHFFFAOYSA-N 502.954 4.372 10 10 KICE CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCC1)=C(N)O2 1864013041 ORSDMQVFNBCDDD-QHCPKHFHSA-N 506.578 4.188 10 10 KICE CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCc3ccccc31)=C(N)O2 1865030276 HFZOSMSZHKJANY-RUZDIDTESA-N 523.593 4.305 10 10 KICE CSCC[C@H](NC(=O)c1ccc(F)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867345332 VNNHYYXLLATLQM-DQEYMECFSA-N 500.684 4.087 10 10 KICE COc1cc(C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c([N+](=O)[O-])cc1OC 1867802603 UIMRTBJIVZLGBR-PXJZQJOASA-N 619.719 4.068 10 10 KICE CCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2C[C@H](C)N(CCCOC)[C@@H](C)C2)n1 1868274334 BMSPHFQXVHRSNS-PMACEKPBSA-N 513.642 4.494 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCN[C@@H](c5ccc(F)cc5)C4=O)nc(-c4cccc(OC)c4)n3)CC2)cc1 1869317335 UPKSHYOGIRABPK-PMERELPUSA-N 568.653 4.304 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3nc4ccccc4[nH]3)C(=O)N(Cc3ccncc3)C2=O)cc1 1873169719 UEUZYLJTEZKGRW-UHFFFAOYSA-N 516.605 4.478 10 10 KICE CC[C@H](C)N1C(=O)C(=Cc2c(N3CCN(c4ccc(OC)cc4)CC3)nc3ccc(C)cn3c2=O)SC1=S 2297312677 LNMQONSXVCQTPD-IBGZPJMESA-N 549.722 4.338 10 10 KICE COc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2313558858 LJHURPRCMPZDQH-UHFFFAOYSA-N 538.469 4.274 10 10 KICE Cc1c(/C=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c(N2CCN(Cc3ccccc3)CC2)n(C)c(=O)c1C#N 150650566 GYDZDXZNORXQAT-USHMODERSA-N 651.818 4.091 10 10 KICE CCOC(=O)c1c(NC(=O)C(=O)Nc2sc(C)cc2C(N)=O)sc(C)c1-c1ccc(OCC)cc1 1860767716 DVQWXVJEJMMAOO-UHFFFAOYSA-N 515.613 4.345 10 10 KICE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NCCc1ccccc1)[C@H]2c1ccc(O)c(O)c1 1864017244 IRNWVWCPCNWMQH-DEOSSOPVSA-N 526.593 4.043 10 10 KICE Cc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCc3ccccc3C1)=C(N)O2 1865025736 CQTNLONAJICHPZ-AREMUKBSSA-N 526.568 4.070 10 10 KICE CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1C)=C(N)O2 1865035145 MJAXZNMMYBILIV-MWTRTKDXSA-N 506.578 4.140 10 10 KICE CSCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N([C@H](Cc1ccccc1)C(=O)O)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867628226 YVNSZVVENVKOJR-WIHCDAFUSA-N 699.874 4.239 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)Cc4ccc(Br)cc4)n(C(C)(C)C)n3)CC2)cc1 1869970736 ONSGJGNLCQVQJA-UHFFFAOYSA-N 527.467 4.312 10 10 KICE COc1ccc(N2CCN(c3nc(=NCc4cccnc4)nc(Nc4ccc(Cl)c(C)c4)[nH]3)CC2)cc1 1871663129 SOWMRQITKQNGPM-UHFFFAOYSA-N 517.037 4.341 10 10 KICE O=C(CCN1C(=O)C(=Cc2cccc(Br)c2)SC1=S)Nc1cc([N+](=O)[O-])ccc1O 2293201934 QAKHQEFGXNJFIB-UHFFFAOYSA-N 508.375 4.293 10 10 KICE CCCCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3ccc(OC)cc3OC)c3ccccc32)SC1=S 2296710648 KLZDQQLIDDUVRQ-UHFFFAOYSA-N 511.625 4.061 10 10 KICE COc1ccc(-n2c(C)cc(C=C3C(=N)N4N=C(CC(=O)N5CCCCC5)SC4=NC3=O)c2C)cc1 2297467972 QMNGQNVCVDVYGW-UHFFFAOYSA-N 504.616 4.125 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)C=Cc3ccc(Cl)c(Cl)c3)CC2)cc1 2330534637 VJDSPAHEFLEJQS-QFIPXVFZSA-N 506.455 4.266 10 10 KICE COc1cc(/C=C2/C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)cc(Br)c1OCc1ccccc1 100321247 LGADFVWORRVQSW-CIAFOILYSA-N 556.438 4.490 10 10 KICE COc1ccc(CN2C(=O)/C(=C\c3nc(S(=O)(=O)c4ccc(C)cc4)c(N4CCOCC4)o3)SC2=S)cc1 105481494 CHFUSKHGGXVIOK-RCCKNPSSSA-N 571.702 4.062 10 10 KICE Cc1c(N2C(=O)/C(=C/c3c(N4CCc5ccccc5C4)nc4ccccn4c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C 110552900 JYGWHAJGOMIHFT-BWAHOGKJSA-N 606.733 4.461 10 10 KICE COc1ccc(CCNc2c(/C=C3\SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(C)c(C#N)c(=O)n2C)cc1OC 143272379 NUADWNZSIOQIIX-ZMFRSBBQSA-N 604.710 4.367 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)c3cc4ccccc4[nH]3)CC2)cc1 1862069781 CGQSZKZVYUZBNC-MHZLTWQESA-N 500.574 4.006 10 10 KICE CCCn1nc(C)c2c1OC(N)=C(C(=O)NCc1ccc(OC(C)(C)C)cc1)[C@@H]2c1ccc(O)c(O)c1 1864011144 ZYQUKYULOSAFPH-HSZRJFAPSA-N 506.603 4.201 10 10 KICE Cc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H]1CCCC[C@@H]1C)=C(N)O2 1864011962 NUCJPKHCJDWPHD-VNJOCVIMSA-N 506.578 4.180 10 10 KICE Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)NCc2cccnc2)[C@@H]3c2ccc(O)c(O)c2)cc1 1864015861 XHBNJYFNMUGWNU-HXUWFJFHSA-N 537.498 4.017 10 10 KICE CCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cc(C)ccc1C)=C(N)O2 1864017734 TXLLBFQZPLHEJL-AREMUKBSSA-N 540.620 4.482 10 10 KICE COc1ccccc1C(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867917095 YZYSAZYIRYVWLE-VMPREFPWSA-N 528.697 4.446 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)CCC(=O)c3ccc(C)cc3C)CC2)cc1 1868931030 LOZRMKCHFXNYNK-GDLZYMKVSA-N 545.655 4.490 10 10 KICE COc1ccc(N2CCN(CCC(=O)c3cccc(OC(=O)c4cc(OC)cc(OC)c4)c3)CC2)cc1 1874730358 AKFNJPXHDBHFAR-UHFFFAOYSA-N 504.583 4.327 10 10 KICE COc1ccc(CCN2C(=O)C(=Cc3c(NCCCn4ccnc4)nc4c(C)cccn4c3=O)SC2=S)cc1OC 2296697721 DCCYTTOCUJDZLH-UHFFFAOYSA-N 590.731 4.163 10 10 KICE O=C(CCN1C(=O)C(=Cc2ccc(Br)cc2)SC1=S)Nc1ccc(C(=O)O)c(O)c1 2297477413 BMKAKJULKPIRRC-UHFFFAOYSA-N 507.387 4.083 10 10 KICE COc1ccc(N2C(=O)C(=Cc3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C(=O)NC2=S)c(OC)c1 2313543699 CBCLTBHKBUFTJD-UHFFFAOYSA-N 513.915 4.357 10 10 KICE COc1c(I)cc(I)cc1C=C1C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O 2313547908 GIHUSMXAXLXTEI-UHFFFAOYSA-N 608.557 4.224 10 10 KICE COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)cc(OC)c1OC 33247360 VVTYNMFSWVZWEJ-MHWRWJLKSA-N 509.403 4.021 10 10 KICE Cc1ccc(N2C(=O)N=C(O)/C(=C\c3c(C)nn(-c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3C)C2=O)cc1C 59858803 BLWYTRPWOKZTOR-YBFXNURJSA-N 504.459 4.429 10 10 KICE O=C1[C@H]2[C@H](C(=O)N1c1cccc(C(F)(F)F)c1)[C@@](Cc1c[nH]c3ccccc13)(C(=O)O)N[C@H]2c1ccccc1O 104879950 RQYJYGRJMHKROB-IMBSWCNGSA-N 549.505 4.409 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4cccc(C(=O)O)c4)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 252667697 DGKVVWYUCXUTNL-GDLZYMKVSA-N 615.708 4.311 10 10 KICE CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1ccc(F)cc1 1084544784 RTRHHHYINXEAAU-MHZLTWQESA-N 527.621 4.141 10 10 KICE CC(C)(C)C(=O)OC[C@@H](N=[N+]=[N-])[C@@H]1O[C@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C 1085210292 JLKYKJIAGQRDOG-RSJGLCBASA-N 541.642 4.485 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)c3ccc(OCC(C)C)cc3)CC2)cc1 1862263654 PNTKIHLCBCJJDP-LJAQVGFWSA-N 515.654 4.420 10 10 KICE Cc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(Cl)cc1)=C(N)O2 1864012034 PPSIWGVZHXOQAV-DEOSSOPVSA-N 534.975 4.455 10 10 KICE NC1=C(C(=O)NCCc2cccs2)[C@@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3ccccc3)c2O1 1864015264 NQZABLGDWAVURJ-IBGZPJMESA-N 542.539 4.417 10 10 KICE CC[C@@H](C)NC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2CC(C)C)[C@@H]1c1ccc(O)c(O)c1 1864017765 UQRTUVPICUJJQA-ZHRRBRCNSA-N 506.603 4.235 10 10 KICE CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCCC[C@@H]1CCO)[C@H]2c1ccc(O)c(O)c1 1865032084 VHUUYGCCJVIKKY-QPPBQGQZSA-N 532.641 4.075 10 10 KICE CSCC[C@@H](NC(=O)[C@@H]1CCCN1Cc1ccccc1F)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866921172 YILKPVVDYKXTRZ-FTJBHMTQSA-N 559.663 4.442 10 10 KICE CCCC[C@@H](NC(=O)Cc1sc(NC(C)=O)nc1-c1cccs1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868629312 RITFLVYIVAHGHE-JOCHJYFZSA-N 569.753 4.405 10 10 KICE COc1ccc([C@@H](C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N2CCN(c3ccc(OC)cc3)CC2)C(C)C)cc1 1868858299 WJHBNQCCKCIOQS-IHLOFXLRSA-N 545.680 4.225 10 10 KICE COCCc1nc(N2CCC(Cc3ccc([N+](=O)[O-])cc3)CC2)cc(N2CCN(c3ccc(OC)cc3)CC2)n1 1869118047 VPPRSYPGRMZLIT-UHFFFAOYSA-N 546.672 4.368 10 10 KICE N=c1[nH]nc(COc2cn(Cc3ccccn3)c(CNc3ccc(Nc4ccccc4)cc3)cc2=O)s1 1871027904 YQWAIMNDFDSQPZ-UHFFFAOYSA-N 511.611 4.490 10 10 KICE COC(=O)c1ccc(CN2C(=O)C(NCc3cccnc3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873164142 OHDPHKSRZPAJKB-UHFFFAOYSA-N 520.589 4.346 10 10 KICE CCn1c(C(=O)Nc2ccc(OC)cc2C)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873650195 KXLGHCGEMZOFCU-UHFFFAOYSA-N 500.603 4.356 10 10 KICE CC(C)CN1C(=O)C(=Cc2c(N3CCN(c4ccc(F)cc4)CC3)nc3ccccn3c2=O)SC1=S 2296731175 AXOYTXFAIBTQFE-UHFFFAOYSA-N 523.659 4.017 10 10 KICE COc1cc(C=C2C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)c(Br)c(Br)c1O 2297504845 ZASWKMWLDHZEPV-UHFFFAOYSA-N 510.138 4.430 10 10 KICE C[C@@H]1C[C@@H](C)CN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)C1 2314413713 FTMMPSOLINHEJK-IAGOWNOFSA-N 534.663 4.307 10 10 KICE COc1ccc(C=C2SC(=S)N(CCCC(=O)N(Cc3sccc3C)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 2314600221 SORVLHCTOFBHOD-LJQANCHMSA-N 564.776 4.262 10 10 KICE CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)ccc1O[C@@H](C)C(=O)O 2314935743 RXRBPQZSSFVJNS-LBPRGKRZSA-N 506.989 4.137 10 10 KICE COc1ccccc1NS(=O)(=O)c1cc(NC(=O)[C@@]23CC[C@@](C)(C(=O)C2=O)C3(C)C)ccc1N1CCCCC1 100923649 XNUNMMNBCVKRCF-URLMMPGGSA-N 553.681 4.389 10 10 KICE COc1ccc(CCNC(=O)C2=C(N)Oc3c(c(C)nn3-c3cccc(Cl)c3)[C@H]2c2ccc(O)c(O)c2)cc1 1864009082 YXNPWYZOGHOOOD-RUZDIDTESA-N 547.011 4.307 10 10 KICE COc1ccc(-n2nncc2C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 1866926334 QNHBURGRDAMVOA-MHZLTWQESA-N 571.593 4.031 10 10 KICE CC(=O)Oc1ccc(C[C@H](NC(=O)Cc2ccc(C)o2)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 1867260237 VKNSPNHDFWZWCY-MHZLTWQESA-N 550.567 4.197 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCO[C@@H](c5ccncc5)C4)nc(Cc4ccccc4)n3)CC2)cc1 1869077656 KJZNIBSSDXDMSU-MUUNZHRXSA-N 522.653 4.376 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCN5CCc6c(F)cccc6[C@@H]5C4)nc(-c4cccnc4)n3)CC2)cc1 1869375276 TUENQNYQEDTNBY-LJAQVGFWSA-N 551.670 4.432 10 10 KICE CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccc(S(=O)(=O)c3ccc(NC(=O)[C@@]45CC[C@@](C)(C(=O)C4=O)C5(C)C)cc3)cc1)C(=O)C2=O 100845796 FCOKMXHWPWVIGQ-XDPXVBSOSA-N 632.735 4.325 10 10 KICE CCn1c(N2CCC[C@H](C)C2)c(/C=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c(C)c(C#N)c1=O 110521900 NKGNJWWDRIBBFZ-XHFXOGKZSA-N 588.759 4.488 10 10 KICE CCn1c(N2C[C@H](C)O[C@H](C)C2)c(/C=C2\SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)c(C)c(C#N)c1=O 110523647 DDDAKHNLPRIEBA-RTMNJWBASA-N 582.748 4.123 10 10 KICE COc1ccc([C@@H](CNC(=O)CN2C(=O)/C(=C\c3cccs3)SC2=S)N2CCCCC2)cc1 205608065 KCQCMLZNASLRPO-DOAWATSRSA-N 501.699 4.301 10 10 KICE O=C1c2ccccc2C(=O)c2c(NC(=O)C3CCN(C(=O)c4ccc(Br)o4)CC3)cccc21 1860589991 MDSMTPQPHURXBP-UHFFFAOYSA-N 507.340 4.308 10 10 KICE Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1nc3ccccc3[nH]1)=C(N)O2 1864009114 ZOLOUMTUSSMQSJ-DEOSSOPVSA-N 542.983 4.133 10 10 KICE Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccccc1)=C(N)O2 1864010480 UIYXMKHAFRUENC-RUZDIDTESA-N 549.002 4.497 10 10 KICE CCCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C)C1)=C(N)O2 1865030871 SZVXROFZZKVSOK-MZNJEOGPSA-N 520.605 4.387 10 10 KICE CC(C)(NC(=O)CCCc1ccc2c(c1)OCCO2)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866787693 BYEICDHSDJEPAL-UHFFFAOYSA-N 512.562 4.089 10 10 KICE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@H](Cc3ccc(F)cc3)NC(=O)c3n[nH]c4c3CCCC4)cccc21 1866850832 YMDYYSXNZHWCAK-VWLOTQADSA-N 536.563 4.183 10 10 KICE CC[C@@H](NC(=O)c1cc(Cl)ccc1OC)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867609524 LIWZMTGPBPBOAJ-RPWUZVMVSA-N 501.071 4.266 10 10 KICE CN(C)c1ccc([C@@H](CNC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)N2CCCCC2)cc1 1867683933 SXVJCTAHBNZLPD-JHOUSYSJSA-N 700.277 4.251 10 10 KICE COc1ccc([C@H](C(=O)N[C@H](C(=O)N2CCN(c3ccc(OC)cc3)CC2)C(C)C)C2CCCC2)cc1 1868882127 RXUCHEQTBQAPPI-IZLXSDGUSA-N 507.675 4.467 10 10 KICE CCOc1ccc(-c2nc(N(C)CCc3cnc[nH]3)cc(N3CCN(c4ccc(OC)cc4)CC3)n2)cc1 1869331617 BCHMUNPLRHRNIQ-UHFFFAOYSA-N 513.646 4.280 10 10 KICE CCCCOCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cc(C)ccc2C)[nH]1 1871670406 OWVLBWIXKJAVKE-UHFFFAOYSA-N 519.694 4.030 10 10 KICE COc1ccc(N2CCN(C(=O)c3cc4c(N5CCC[C@H](C)C5)ncnc4n3Cc3ccco3)CC2)cc1 1873563684 JPSNBCMRYOCLQH-NRFANRHFSA-N 514.630 4.280 10 10 KICE Cc1cccc(OCCOc2ccc(C=C3C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)CC(C)C)cc2)c1 2297345737 XCIRRTRISDDQSW-UHFFFAOYSA-N 526.640 4.100 10 10 KICE Cc1ccc(NC(=O)Cn2cc(C=C3C(=O)NC(=S)N(c4ccc(C(=O)O)cc4)C3=O)c3ccccc32)cc1 2297556235 UZDKFNNPCSOXFN-UHFFFAOYSA-N 538.585 4.118 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)C=Cc3ccccc3Cl)CC2)cc1 2330460775 JSQXUSXWLQVRAW-HHHXNRCGSA-N 504.030 4.438 10 10 KICE COc1cccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(N5CCCCC5)cc4)c(=O)n32)c1 22861292 GJSDFJNWOSAYFV-ABBNRAPFSA-N 531.678 4.186 10 10 KICE COCCN(CC(=O)N1N=C(c2cccn2C)C[C@@H]1c1ccc(F)cc1)C(=O)Nc1ccccc1OC 35963305 VGESUAJNAJEMKR-XMMPIXPASA-N 507.566 4.031 10 10 KICE Cc1c(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)c(NCc2ccc(F)cc2)n(C)c(=O)c1C#N 143286097 LAVPEQXIXGOGCX-NDENLUEZSA-N 528.631 4.163 10 10 KICE NS(=O)(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C\c3ccc(-c4ccccc4)cc3)SC2=S)cc1 210700963 RIWWDYIWLQXSAN-CJLVFECKSA-N 523.661 4.231 10 10 KICE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)N2CCC(C)CC2)[C@@H]3c2ccc(O)c(O)c2)c1 1865025656 BFCALZYKJGMCHT-RUZDIDTESA-N 502.615 4.221 10 10 KICE Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)O[C@H](C)C1)=C(N)O2 1865028123 PWHXSPNRZXETSK-VJBOLBCHSA-N 545.423 4.229 10 10 KICE CCC[C@H](NC(=O)c1ccc(OC)c(OC)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867311009 INJRIKUIFUAJRJ-DQEYMECFSA-N 510.679 4.012 10 10 KICE CCCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867356547 SACRHNVOMGASBS-CLJLJLNGSA-N 509.651 4.293 10 10 KICE CSCC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccn1)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867479278 GUTLEBWHIWTWIN-JSOSNVBQSA-N 642.826 4.139 10 10 KICE CSCC[C@@H](NC(=O)c1cccc(F)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867843422 WDQBCRRHZILASG-JWQCQUIFSA-N 500.684 4.087 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCO[C@@H](c5ccncc5)C4)nc(-c4ccccc4)n3)CC2)cc1 1869205440 UWUFNMNNSPIPLW-HHHXNRCGSA-N 508.626 4.452 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCN[C@H](c5ccc(F)cc5)C4=O)nc(-c4ccc(F)cc4)n3)CC2)cc1 1869286624 JHIBISSSDKERRD-GDLZYMKVSA-N 556.617 4.435 10 10 KICE COc1cc(C=C2SC(=S)N(CC(=O)O)C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C 2297577737 WGPVAGWSQCENGR-UHFFFAOYSA-N 500.598 4.122 10 10 KICE C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C(=O)C(=Cc2cc(Br)ccc2O)SC1=S 2314837432 SDMBUOFXXMELPZ-JTQLQIEISA-N 508.375 4.291 10 10 KICE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(N3CCC(C)CC3)nc12 100850958 ADEIUSCLEKGGAE-HAVVHWLPSA-N 586.743 4.443 10 10 KICE Cc1ccc2nc(NC[C@H](O)c3ccccc3)c(/C=C3\SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(=O)n2c1 110555834 BJRJCSKEPWCENM-GENIAPEFSA-N 624.748 4.352 10 10 KICE CCCn1c(NCc2ccc3c(c2)OCO3)c(/C=C2\SC(=S)N(CCCOC)C2=O)c(C)c(C#N)c1=O 143309916 GHEAPRSRSCMYON-UUYOSTAYSA-N 540.667 4.017 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)/C=C/c3cccc(Cl)c3)CC2)cc1 1862139062 DEZVLWHHCCTDCD-UDKPXMKSSA-N 504.030 4.438 10 10 KICE CCCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)C13CC4CC(CC(C4)C1)C3)=C(N)O2 1864012536 CKNOGMQBUOGAQP-GGVJIIAMSA-N 506.647 4.200 10 10 KICE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1cccc(C(F)(F)F)c1)[C@@H]2c1ccc(O)c(O)c1 1864022083 KFCQZKXPOREUJR-MRXNPFEDSA-N 542.436 4.363 10 10 KICE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)Cc3nc(-c4cccc(Br)c4)oc3C)CC2)cc1 1869008100 SRGGEBXGMMSGDO-UHFFFAOYSA-N 555.473 4.207 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCNC(=O)[C@@H]4c4ccc(F)cc4)nc(-c4ccc(F)cc4)n3)CC2)cc1 1869286594 IQCPLCRZSOIQKT-LJAQVGFWSA-N 556.617 4.435 10 10 KICE CCOC(=O)c1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCN(C)C)C2=O)cc1 1873165795 VNENDOXBLSTWLU-UHFFFAOYSA-N 528.653 4.092 10 10 KICE CCN(CC)CCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCCN2CCCC2)C1=O 1873167356 COHOZDAOZISJIM-UHFFFAOYSA-N 519.734 4.372 10 10 KICE [N-]=[N+]=N[C@@H]1CCC[C@@H]1NC(=O)c1cc(I)cc(I)c1I 2234170647 FZIXYQXEZPAEOX-VHSXEESVSA-N 607.959 4.462 10 10 KICE O=C1C(=Cc2c(N3CCN(c4ccccc4)CC3)nc3ccccn3c2=O)SC(=S)N1C1CCCC1 2296189398 CKFJCHABXCCTFH-UHFFFAOYSA-N 517.680 4.165 10 10 KICE CCOc1cc(C=C2C(=N)N3C(SC)=NSC3=NC2=O)ccc1OC(=O)c1ccc(OC)c(OC)c1 2297341091 TYXFJKSKDFXENH-UHFFFAOYSA-N 526.596 4.261 10 10 KICE O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)C1=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(I)c1 2313556674 IAYPKTNMHBDNAR-UHFFFAOYSA-N 613.320 4.174 10 10 KICE Cc1ccc2nc(N3C[C@@H](C)C[C@H](C)C3)c(C=C3SC(=S)N(CCCCCC(=O)O)C3=O)c(=O)n2c1 2314400935 RQAMBMHBFDNICU-ROUUACIJSA-N 528.700 4.331 10 10 KICE COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(C[C@@H]2CCCO2)C1=O 2314508317 OTABAPSIPKJNIH-INIZCTEOSA-N 509.609 4.184 10 10 KICE COC(=O)N[C@H](CCSC)C(=O)Oc1ccc(Nc2nc3c(s2)C(=O)c2ccccc2C3=O)cc1 29042876 SFDSXIZFOOBDMC-QGZVFWFLSA-N 511.581 4.045 10 10 KICE Cc1ccsc1CN(C(=O)CCCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)[C@H]1CCS(=O)(=O)C1 101266767 JNFUJAQJAOEAMG-KYYPIKSYSA-N 552.740 4.393 10 10 KICE C[C@@H](NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2C)[C@@H]1c1ccc(O)c(O)c1)C12CC3CC(CC(C3)C1)C2 1864014940 GPLGINGGRSNJJO-BIRBHYIESA-N 532.563 4.266 10 10 KICE COCCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1 1864015529 BMKJEBLWESAMAS-VWLOTQADSA-N 540.620 4.165 10 10 KICE NC1=C(C(=O)N2CCCCC2)[C@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(Cc3cccc(F)c3)c2O1 1865033619 DVDNSLXZNGOGFL-LJQANCHMSA-N 532.494 4.208 10 10 KICE CCCc1nn(CC)c2c1[C@@H](c1ccc(F)cc1F)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865420129 JPXAULZTDGZHKV-XMMPIXPASA-N 537.611 4.186 10 10 KICE COC(=O)c1c(NC(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)sc(C)c1-c1ccc(C)cc1 1865872978 IUNJAGLLUMOFOL-UHFFFAOYSA-N 512.584 4.213 10 10 KICE CC(=O)Oc1ccc(C(=O)N[C@@H](C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c2ccccc2)cc1 1867718374 FBECMEMPXJQXEG-XZWHSSHBSA-N 542.680 4.492 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCC5(CC4)OCCO5)nc(-c4ccccc4Cl)n3)CC2)cc1 1867979478 OPBMUBHBLNVAPB-UHFFFAOYSA-N 522.049 4.476 10 10 KICE CCCC[C@H](NC(=O)c1sc(CNC(=O)OC(C)(C)C)nc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868921243 BAWJFNNVPMJKGZ-QFIPXVFZSA-N 559.733 4.122 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCN(CCc5cccc(Cl)c5)CC4)nc(C)n3)CC2)cc1 1869288293 JYJWLPWKERFVAZ-UHFFFAOYSA-N 507.082 4.138 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCc3nc4ccccc4[nH]3)C(=O)N(Cc3ccncc3)C2=O)cc1 1873168599 BFJQXUJAUSOCMS-UHFFFAOYSA-N 502.578 4.435 10 10 KICE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(N3CCC(C(N)=O)CC3)=NC2=O)c(C)c1 2296704990 BRXGOSBDYIVNLX-UHFFFAOYSA-N 515.639 4.414 10 10 KICE COc1cc(C=C2C(=O)NC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(Br)c1O 2297322155 RQZDRTVZZYZJCP-UHFFFAOYSA-N 502.173 4.301 10 10 KICE COc1cc(C=C2C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1cccc(C(=O)O)c1 2313564938 HJTHSVHGFLTNGZ-UHFFFAOYSA-N 516.575 4.421 10 10 KICE CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1 2313681925 QOWABQLYXYDGBH-UHFFFAOYSA-N 510.532 4.109 10 10 KICE Cc1cccn2c(=O)c(C=C3SC(=S)N(CCCCCC(=O)O)C3=O)c(N3C[C@@H](C)C[C@H](C)C3)nc12 2314400963 SGZRKNNDXCAEOC-IRXDYDNUSA-N 528.700 4.331 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)c3cc(Cl)ccc3OC)CC2)cc1 1862137636 QVKPALHSKXXBPS-RUZDIDTESA-N 508.018 4.047 10 10 KICE Cc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1OC(C)(C)C)=C(N)O2 1864010978 XTAGYRHNWWUGSQ-VWLOTQADSA-N 541.608 4.175 10 10 KICE Cc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccn1)=C(N)O2 1864011443 UQRRJDPAVQXVKU-AREMUKBSSA-N 519.561 4.151 10 10 KICE CCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1 1864015147 KFTXBCISMKETCR-SFHVURJKSA-N 502.493 4.222 10 10 KICE CCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCC(C)C)=C(N)O2 1864020028 UQFZANKDNHCMLV-NRFANRHFSA-N 541.446 4.465 10 10 KICE Cc1cccc(CNC(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3-c3ccccn3)[C@@H]2c2ccc(O)c(O)c2)c1 1864023491 ZLYYGQQIGXYZSY-FQEVSTJZSA-N 537.498 4.017 10 10 KICE CCCCCCOc1ccc(C(=O)N[C@H](CO)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867567056 DQVYISUBLJHWQZ-FQLXRVMXSA-N 538.733 4.146 10 10 KICE CC[C@H](NC(=O)c1cc(Cl)ccc1OC)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867609526 LIWZMTGPBPBOAJ-ZEQRLZLVSA-N 501.071 4.266 10 10 KICE CCCc1nc(N2CCC(NC(=O)OC(C)(C)C)CC2)cc(N2CCN(c3ccc(OC)cc3)CC2)n1 1867973689 FWLZESQLHQRILN-UHFFFAOYSA-N 510.683 4.258 10 10 KICE CC[C@](C)(NC(=O)Cc1csc(COc2ccc(C)cc2)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868593634 YBABGDREQIUAOB-LJAQVGFWSA-N 536.698 4.215 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)[C@H](CC(C)C)c3ccc(OC)c(Br)c3)CC2)cc1 1869006712 DJLITHWCAGJLLW-AUSIDOKSSA-N 546.506 4.450 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)c4cccc(NC(C)=O)c4)n(-c4ccc(C)cc4)n3)CC2)cc1 1869970795 XULJCYACHXTOOZ-UHFFFAOYSA-N 525.613 4.122 10 10 KICE CCCCOC(=O)c1ccccc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCNC(C)=O)C1=O 1873422365 SXEZXVQAIXOJTQ-UHFFFAOYSA-N 542.636 4.379 10 10 KICE Nc1ccc(CC(=O)Nc2c(I)cc(I)cc2I)cc1 2191659760 SWQZNSJGSZHIOG-UHFFFAOYSA-N 603.967 4.264 10 10 KICE Cc1cccc(C)c1OCCOc1ccc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc1Cl 2297346293 SKNPDISAIXREBJ-UHFFFAOYSA-N 533.031 4.036 10 10 KICE CN(C)c1ccc([C@H]2CC(c3ccc(F)cc3)=NN2C(=O)CN2C(=O)C(=O)c3cc(Cl)ccc32)cc1 72413282 LYMUOCYEPAKDEF-XMMPIXPASA-N 504.949 4.452 10 10 KICE COc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(C(=O)O)c(Cl)c4)c3C)C(=O)NC2=S)cc1 101509969 XVEGVMKFFRWZMD-JAIQZWGSSA-N 509.971 4.286 10 10 KICE Cc1cc(C)cc(N2C(=O)/C(=C\c3cn(CC(=O)N4CCCCC4)c4ccccc34)C(=O)NC2=S)c1 208734237 MDTMZJHAXVNWQL-HAHDFKILSA-N 500.624 4.102 10 10 KICE NS(=O)(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C\c3cccc(Oc4ccccc4)c3)SC2=S)cc1 210700798 HWQKHXDDQLSQGD-CJLVFECKSA-N 539.660 4.356 10 10 KICE CCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)cc2)[C@@H]1c1ccc(O)c(O)c1 1864016519 RHUXGKKFGVWLBL-QFIPXVFZSA-N 516.985 4.494 10 10 KICE Cc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)Cc1ccccc1)=C(N)O2 1865026690 RCKOMMWPWWATKB-VWLOTQADSA-N 514.557 4.143 10 10 KICE CSCC[C@H](NC(=O)c1cc(C2CC2)n2nc(C)cc2n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867171345 QWNOVSKUTCAKDH-QFIPXVFZSA-N 553.644 4.181 10 10 KICE CSCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(CC(C)C)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867423635 KWHYNQXYVSWDHV-URLMMPGGSA-N 607.821 4.200 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)[C@@H]3CCCN3Cc3ccccc3F)c3ccccc3)CC2)cc1 1868822812 WUWHXKABVHMJJB-URLMMPGGSA-N 530.644 4.005 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3n[nH]c(C)c3-c3ccccc3)c3ccccc3)CC2)cc1 1869063635 GFGLQNRCCKHZQN-HHHXNRCGSA-N 509.610 4.214 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccc4c(c3)OCO4)C(=O)N(Cc3ccncc3)C2=O)cc1 1873168042 HJRYHLDSQGBMJL-UHFFFAOYSA-N 506.562 4.288 10 10 KICE Cc1ccc(OCCCn2cc(C=C3C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)c3ccccc32)cc1 2297345274 HTOHCDBKTNJXEE-UHFFFAOYSA-N 521.624 4.040 10 10 KICE CCCCn1c(N2CCC[C@H](C)C2)c(/C=C2\SC(=S)N(CCCOC)C2=O)c(C)c(C#N)c1=O 39990424 SAJMFRHXJAJESD-XESZTULISA-N 502.706 4.303 10 10 KICE CCN(CC)c1ccc([C@@H]2N(C(=O)CN3CCCCC3)CCCN2S(=O)(=O)c2ccc(C)cc2)cc1 59074328 ZERRSKLNMNIHMR-MUUNZHRXSA-N 512.720 4.249 10 10 KICE Cc1ccc2nc(Sc3ccc(Cl)cc3)c(/C=C3/SC(=S)N([C@H]4CCS(=O)(=O)C4)C3=O)c(=O)n2c1 100850909 VFCYZOZGTLQFKV-ZNBBLSJYSA-N 564.135 4.196 10 10 KICE CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(CCCC(=O)O)C2=O)cc1 213181966 VYCPAHBZXVHGAI-RGEXLXHISA-N 509.609 4.424 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 254705363 WSKFHMXEGDMDMD-HHHXNRCGSA-N 527.646 4.026 10 10 KICE COc1cccc(C2=C(O)C(=O)N(c3ccccc3N3CCOCC3)[C@H]2c2ccc(O)c(O)c2)c1OC 526501198 JNDVDCWYWXLJOF-VWLOTQADSA-N 504.539 4.009 10 10 KICE CCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1 1864015145 KFADWAJNQGQMEH-LJQANCHMSA-N 516.520 4.281 10 10 KICE NC1=C(C(=O)NCCC2=CCCCC2)[C@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3ccccn3)c2O1 1864022949 SLBGFSMTMMKNLK-HXUWFJFHSA-N 541.530 4.399 10 10 KICE Cc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCc3ccccc31)=C(N)O2 1865026618 QHKJDICYBILOGE-SANMLTNESA-N 526.568 4.464 10 10 KICE CC(C)[C@@H](C(=O)N[C@@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(Br)cc1 1866977870 XILJGFLOYICKPW-XZOQPEGZSA-N 549.421 4.080 10 10 KICE CC(=O)Nc1cccc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867638019 HELNCGCSWXALMF-CONSDPRKSA-N 571.722 4.101 10 10 KICE COc1ccc([C@H](C(=O)N[C@H](CCSC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)C(C)C)cc1 1868857671 SYEOMPDPNBQJCP-CLJLJLNGSA-N 513.704 4.030 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCNC(=O)[C@H]4c4ccc(F)cc4)nc(-c4ccccc4)n3)CC2)cc1 1869210579 PRIACNJPFDJSQS-GDLZYMKVSA-N 538.627 4.295 10 10 KICE CCOC(=O)c1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCOC)C2=O)c1 1873420059 HNCQAYHVHDEUPF-UHFFFAOYSA-N 501.583 4.499 10 10 KICE CC[C@@H](C)N1C(=O)C(=Cc2c(N3CCN(c4ccc(OC)cc4)CC3)nc3ccc(C)cn3c2=O)SC1=S 2297312678 LNMQONSXVCQTPD-LJQANCHMSA-N 549.722 4.338 10 10 KICE CCOC(=O)COc1c(Cl)cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1Br 2313559432 YINTWKLBAQNNIL-UHFFFAOYSA-N 541.782 4.015 10 10 KICE Cc1ccc2nc(N3CCCCC3)c(C=C3SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(=O)n2c1 2314414020 NULCMJJINSNKAB-UHFFFAOYSA-N 572.716 4.197 10 10 KICE O=C1C(=Cc2cccs2)SC(=S)N1CCC(=O)N(Cc1c(F)cccc1Cl)[C@H]1CCS(=O)(=O)C1 2314603323 HQHWHSRCILYEHD-AWEZNQCLSA-N 559.131 4.348 10 10 KICE O=C(O)[C@@H](Cc1ccc(O)cc1)N1C(=O)C(=Cc2cc(Cl)cc(Br)c2O)SC1=S 2323812717 YDIVBGCOJVSQNV-CQSZACIVSA-N 514.806 4.411 10 10 KICE O=C1NC(=O)N(c2cccc(Br)c2)C(=O)/C1=C\c1cc(Br)c(O)c(I)c1 100454579 PNSZPAVXPNVVQK-WCIBSUBMSA-N 591.981 4.188 10 10 KICE CCOC(=O)N1CCN(c2nc3ccc(C)cn3c(=O)c2/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)CC1 105451025 CRDPSNISBFIUHH-OSEFQUDUSA-N 563.705 4.244 10 10 KICE CCN(CC)C(=O)COc1ccc(-c2c(C)sc(NC(=O)C(=O)NCCc3ccc(OC)c(OC)c3)c2C(=O)OC)cc1 1860763870 PGUJMOGNNADETN-UHFFFAOYSA-N 611.717 4.072 10 10 KICE CC(C)NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)cc2)[C@@H]1c1ccc(O)c(O)c1 1864015186 LRQPEYILMJTTRC-INIZCTEOSA-N 508.884 4.175 10 10 KICE CCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCc1ccccc1)=C(N)O2 1864018100 CKTRQVWTFZTKGQ-AREMUKBSSA-N 542.611 4.488 10 10 KICE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@@H](C)C1)=C(N)O2 1865029939 YTRWEJAKFUIIIQ-NXMSCROESA-N 502.615 4.435 10 10 KICE CCc1nn(CC)c2c1[C@H](c1ccc(Cl)cc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865093855 XQWBWKJNEAQTCV-QHCPKHFHSA-N 522.049 4.171 10 10 KICE Cc1ccccc1-c1nc(CC(=O)N[C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c(C)o1 1866642161 RERXWCOJLNUMFO-KRWDZBQOSA-N 507.546 4.420 10 10 KICE CC[C@@H](NC(=O)c1cc(C2CC2)n2nc(C3CC3)cc2n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867177196 CVEUNAVBXVSKQP-OAQYLSRUSA-N 533.588 4.407 10 10 KICE COc1cc(OC)cc(C(=O)N[C@H](Cc2ccccc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867394286 KWOAMAQXIVUKNC-JSOSNVBQSA-N 558.723 4.454 10 10 KICE CC[C@H](NC(=O)c1cccc(Br)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867411655 AZCHIEXFQSSQSJ-ZEQRLZLVSA-N 515.496 4.367 10 10 KICE CCCn1cc(OCC(=O)Nc2ccc(CC)cc2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870721101 CWZCQANEHVHVSH-UHFFFAOYSA-N 518.658 4.169 10 10 KICE COc1cc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C[C@H]3CCCO3)C2=O)cc(OC)c1 1873419518 IXIWQKLPTLVJDC-HSZRJFAPSA-N 501.583 4.482 10 10 KICE COC(=O)Cc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCn3ccnc3)C2=O)cc1 1873423412 KOIBTDYGHXDGLE-UHFFFAOYSA-N 537.620 4.288 10 10 KICE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c(C)c1 2296709050 ICROHRFYGWHVEZ-LJQANCHMSA-N 525.677 4.245 10 10 KICE COc1cc(C=C2C(=O)N(c3cccc(C(=O)O)c3)N=C2C)c(Br)c(Br)c1O 2297456493 XYTFISFUQOCNLV-UHFFFAOYSA-N 510.138 4.430 10 10 KICE COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(OC(=O)c4ccccc4F)c(OC)c3)C2=O)cc1 2297500228 UJQUXDRUSTWEPH-UHFFFAOYSA-N 524.888 4.382 10 10 KICE Cc1c(N2C(=O)C(=Cc3c(N4CCc5ccccc5C4)nc4ccccn4c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C 2314478214 JYGWHAJGOMIHFT-UHFFFAOYSA-N 606.733 4.461 10 10 KICE O=C(O)c1cccc(-c2ccc(/C=C3\SC(=O)N(CC(=O)N4CCN(c5ccccc5)CC4)C3=O)o2)c1 8450536 SYVRCXMNSMZPFZ-KQWNVCNZSA-N 517.563 4.030 10 10 KICE C[C@H]1CN(c2ccc([N+](=O)[O-])c(COCc3cc(N4C[C@@H](C)O[C@H](C)C4)ccc3[N+](=O)[O-])c2)C[C@H](C)O1 102226336 DLPGFKKHSFLVOS-XLLXOSNRSA-N 514.579 4.447 10 10 KICE CCN(CC)c1ccc([C@@H]2C(c3ccc(OC)cc3)=C(O)C(=O)N2c2ccc(S(N)(=O)=O)cc2)cc1 526309889 LKLMAQOSHXSTMA-RUZDIDTESA-N 507.612 4.246 10 10 KICE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccs1)=C(N)O2 1864009529 AAWDRWMVHUAZNG-QHCPKHFHSA-N 532.622 4.317 10 10 KICE NC1=C(C(=O)NCc2ccco2)[C@@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(Cc3ccc(F)cc3)c2O1 1864015464 RTPXLQALSRHZDH-IBGZPJMESA-N 544.461 4.105 10 10 KICE COc1ccc(-c2nn(CC(C)C)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)NCC(C)C)=C(N)O3)cc1 1864017753 UNOWVKVFVGQODE-QFIPXVFZSA-N 506.603 4.093 10 10 KICE CCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1OC)=C(N)O2 1864019278 XQHKKOLOUBCLKK-RUZDIDTESA-N 544.583 4.064 10 10 KICE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)O[C@H](C)C1)=C(N)O2 1865029775 VFEUQGJHUPHWGD-LNPFQXMTSA-N 539.032 4.220 10 10 KICE CCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cc(Cl)cc(Cl)c2)[nH]1 1871538398 YMTFKCUVTYRNNW-UHFFFAOYSA-N 502.450 4.313 10 10 KICE CCN(CC)CCN1C(=O)C(NCCOc2ccc(OC)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873165188 HRWFFGHFVMKLIG-UHFFFAOYSA-N 530.669 4.193 10 10 KICE COc1ccc(CN2C(=O)C(NC3CCN(C)CC3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1OC 1873170892 VUENVRUJQPTJAC-UHFFFAOYSA-N 528.653 4.075 10 10 KICE COc1ccc(N2C(=O)C(=Cc3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C(=O)NC2=S)cc1 2294259104 JBAOMPVICUYTQI-UHFFFAOYSA-N 519.535 4.022 10 10 KICE Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccccc4)C3=O)c(N3C[C@@H](C)O[C@H](C)C3)nc12 2296698687 FGEHNEFXVJIBEO-QZTJIDSGSA-N 506.653 4.018 10 10 KICE Cc1ccc(NC(=O)COc2ccc(Br)cc2C=C2SC(=S)N([C@H](CCC(=O)O)C(=O)O)C2=O)cc1 2314842129 AYGZQUMAIWNLLO-QGZVFWFLSA-N 593.477 4.294 10 10 KICE Cc1ccc(/C=C2\SC(=S)N(CC(=O)N(Cc3ccc([C@@H]4C[C@@H]4C)o3)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 101911319 XKTYEIZRQAHNLO-CSUWAQIOSA-N 544.720 4.129 10 10 KICE COc1ccc(CN2C(=O)/C(=C\c3c(NCCCn4ccnc4)nc4c(C)cccn4c3=O)SC2=S)cc1 102834681 RWGFSXUZHKHGOS-PXLXIMEGSA-N 546.678 4.112 10 10 KICE Cc1c(Br)ccc(N2C(=O)NC(=O)/C(=C/c3cc4c(cc3Br)OCO4)C2=O)c1C 103813278 GYAQLDMPNADHBC-XGICHPGQSA-N 522.149 4.224 10 10 KICE Cc1cccc(OCCCOc2ccc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2Cl)c1 104560082 QZQORGZMELSBKF-NFBUKIRSSA-N 533.031 4.118 10 10 KICE CCOC(=O)CCCN1C(=O)/C(=C/c2ccc(OCC(=O)N3CCCCC3)c(OCC)c2)SC1=S 206868316 SUJYQFLWKGTUPT-PGMHBOJBSA-N 520.673 4.021 10 10 KICE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCC[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1Cc1cccnc1)[C@@H]23 257188703 MYTOTYSENGRWAF-VVHQHVLRSA-N 545.772 4.422 10 10 KICE CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(F)cc1)=C(N)O2 1864012788 JDYOGDYYPODGQM-RUZDIDTESA-N 528.584 4.445 10 10 KICE CCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C)C1)=C(N)O2 1865033203 UMULQASFJPJPLC-QRQCRPRQSA-N 509.006 4.452 10 10 KICE COc1ccc([C@@H](C(=O)N[C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C(C)C)cc1OC 1866982269 CRCSXDWNWFXFIO-NSYGIPOTSA-N 514.578 4.362 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3cc(C4CC4)n4nc(-c5ccccc5)cc4n3)C(C)C)CC2)cc1 1869004668 SNPVODDGNMDVML-PMERELPUSA-N 552.679 4.386 10 10 KICE CC(=O)NCCN1C(=O)C(Nc2ccc(C(F)(F)F)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422119 HFDKURBMXKNQRE-UHFFFAOYSA-N 510.516 4.441 10 10 KICE O=C(O)CN1C(=O)C(=Cc2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)SC1=S 2293631573 KPYGWNZHKBWIBY-UHFFFAOYSA-N 509.359 4.222 10 10 KICE COc1cc(C=C2C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C(F)(F)F)ccc1OCCc1ccccc1 2297461774 XLFCCFYFXFYKCT-UHFFFAOYSA-N 545.539 4.313 10 10 KICE CC(C)N1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCOCC3)c2)SC1=S 2314476818 WOBOOLABHHKTTN-UHFFFAOYSA-N 554.719 4.170 10 10 KICE NS(=O)(=O)c1ccc(NC(=O)CCCCCN2C(=O)C(=Cc3ccc(Br)cc3)SC2=S)cc1 2314831125 CYRXGCYOHXKKMQ-UHFFFAOYSA-N 568.540 4.497 10 10 KICE Cc1ccccc1C=C1SC(=S)N(CCCCCC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1=O 2314832070 YYNLCKGSAPEULM-UHFFFAOYSA-N 503.671 4.043 10 10 KICE CCOC(=O)c1ccc(NC(=O)[C@@H](C)N2C(=O)C(=Cc3ccc(O)c(OCC)c3)SC2=S)cc1 2314836608 HLVMDPRCFUFNQW-CQSZACIVSA-N 500.598 4.196 10 10 KICE CCCCn1c(N2CCCCC2)c(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c(C)c(C#N)c1=O 39990335 WUXAAZMJXWWJEV-SBGXLDQMSA-N 500.690 4.199 10 10 KICE Cc1nn2c(=O)cc(COc3ccc(/C=C4\C(=N)N5N=C(C6CCCCC6)SC5=NC4=O)cc3)nc2s1 101498228 UDZQWZQFJSFUPC-QNCHGFICSA-N 533.639 4.238 10 10 KICE CCOc1ccc(N2C(=O)[C@H]3[C@@H](c4ccccc4Cl)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 101993360 WGAISVGMHAGGNC-XPWALMASSA-N 501.922 4.434 10 10 KICE O=C1N=C(O)/C(=C/Nc2ccc(N3CCOCC3)c(Cl)c2)C(=O)N1c1ccc(Br)cc1 103118687 XUURBTCDPDHEPC-VBKFSLOCSA-N 505.756 4.358 10 10 KICE O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 103255444 BQFGMSOEVZXLQY-DEDYPNTBSA-N 531.377 4.373 10 10 KICE CCCCCNC(=O)C(=O)Nc1sc(C)c(-c2ccc(OCC(=O)N(CC)CC)cc2)c1C(=O)OC 1860763861 OWNIHGVYPPPUBU-UHFFFAOYSA-N 517.648 4.002 10 10 KICE COc1ccc(N2CCN(C(=O)CNC(=O)c3ccc4nc(-c5cccc6ccccc56)[nH]c4c3)CC2)cc1 1862090133 ALVVGWUWVDGQHT-UHFFFAOYSA-N 519.605 4.470 10 10 KICE COc1ccc(N2CCN(C(=O)CNC(=O)c3ccc4[nH]c(-c5ccc(C(C)C)cc5)nc4c3)CC2)cc1 1862097665 TWSBFYUGLSYQKQ-UHFFFAOYSA-N 511.626 4.441 10 10 KICE Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)C[C@@H](C)C1)=C(N)O2 1865027600 JSRCQUJPBONDIG-WBPRFABPSA-N 509.006 4.444 10 10 KICE CCc1nn(C)c2c1[C@H](c1ccc(C(F)(F)F)cc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865557675 IQTAWADYNWPHLT-QFIPXVFZSA-N 541.574 4.053 10 10 KICE COc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867319098 UACLJKUDFKXJPX-XZWHSSHBSA-N 528.697 4.446 10 10 KICE Cc1c(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1867817170 KJHFKOJDAJXSGX-JDXGNMNLSA-N 618.691 4.268 10 10 KICE CCCN(CCC)c1cccc(C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N2CCN(c3ccc(OC)cc3)CC2)n1 1868604360 IEXRBGSOUMNURK-GDLZYMKVSA-N 559.711 4.112 10 10 KICE CCOc1ccc(OCC(=O)Nc2nc(N3CCN(c4ccc(OC)cc4)CC3)nn2-c2ccccc2)cc1 1869969909 ABCZOYJMMJTCNQ-UHFFFAOYSA-N 528.613 4.019 10 10 KICE COc1ccc(OC)c(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C[C@H]3CCCO3)C2=O)c1 1873419339 AIXWEACTUAPBOS-HSZRJFAPSA-N 501.583 4.482 10 10 KICE COc1cccc(OCCOc2ccc(C=C3C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)cc2OC)c1 2293225730 MCJARKBDGUCSKU-UHFFFAOYSA-N 520.489 4.343 10 10 KICE Cc1cccn2c(=O)c(C=C3SC(=S)N(C[C@@H]4CCCO4)C3=O)c(N(C)Cc3ccccc3)nc12 2296698728 JNXQOWZUTKVTMJ-IBGZPJMESA-N 506.653 4.020 10 10 KICE COc1cc(C=C2C(=O)NC(=S)N(c3ccccc3C)C2=O)ccc1OCc1ccc(C(=O)O)cc1 2297307908 WABFLERBAUGCMM-UHFFFAOYSA-N 502.548 4.112 10 10 KICE Cc1ccc(CN(C(=O)CCN2C(=O)C(=Cc3ccc(Cl)cc3)SC2=S)[C@@H]2CCS(=O)(=O)C2)o1 2314600160 MUIAFDYKXFNACK-GOSISDBHSA-N 539.100 4.049 10 10 KICE Cc1ccc2nc(NC[C@H](O)c3ccccc3)c(/C=C3/SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(=O)n2c1 101012892 BJRJCSKEPWCENM-CFUMORPUSA-N 624.748 4.352 10 10 KICE COC(=O)c1ccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)Nc4ccc5c(c4)OCO5)C3=O)c2C)cc1 105357118 ULEQBFPCSIBXAS-KSEXSDGBSA-N 533.562 4.284 10 10 KICE CCCCn1c(N2CCOCC2)c(/C=C2\SC(=S)N(Cc3ccc(OC)cc3)C2=O)c(C)c(C#N)c1=O 110528177 XWOJWYDSZFLHOJ-HAHDFKILSA-N 538.695 4.075 10 10 KICE Cc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(F)cc1)=C(N)O2 1864012106 RFARIZVICOUGLC-RUZDIDTESA-N 549.002 4.497 10 10 KICE C[C@H](NC(=O)[C@@H](Cc1ccncc1)c1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866688324 IOURBFWVQBZPKG-DFBJGRDBSA-N 503.558 4.327 10 10 KICE O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(C2CC2)[nH]n1 1867147957 IBUFIVJQZOECSR-DEOSSOPVSA-N 504.546 4.042 10 10 KICE Cc1cc(=NC(=O)[C@@H]2CCCN2c2cc(Nc3cccc4c3C(=O)c3ccccc3C4=O)nc(-c3cccnc3)n2)[nH]o1 1868564853 SJRJDGZADWDFNH-DEOSSOPVSA-N 571.597 4.383 10 10 KICE COc1ccc(N2CCN(C(=O)CNC(=O)C[C@H](c3ccccc3)c3ccc(Br)cc3)CC2)cc1 1868964740 BLJSCEPQIKZZIW-AREMUKBSSA-N 536.470 4.445 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)CCCSC)n(-c4ccccc4Cl)n3)CC2)cc1 1869969246 KHNMODLQCBCTEI-UHFFFAOYSA-N 501.056 4.338 10 10 KICE CC(C)N1C(=O)C(=Cc2c(N3CCN(c4cccc(Cl)c4)CC3)nc3ccccn3c2=O)SC1=S 2296540305 OUQTZPAAPSHADU-UHFFFAOYSA-N 526.087 4.284 10 10 KICE Cc1cccn2c(=O)c(C=C3SC(=S)N(CCCCCC(=O)O)C3=O)c(NCCCOC(C)C)nc12 2296731211 FEGPJRZZDFXNIQ-UHFFFAOYSA-N 532.688 4.076 10 10 KICE COc1ccc(CCN2C(=O)C(=Cc3c(N4CCN(Cc5ccccc5)CC4)nc4ccccn4c3=O)SC2=S)cc1OC 2314415076 WQZGDZXCGCBJPU-UHFFFAOYSA-N 627.792 4.478 10 10 KICE COC(=O)c1ccccc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3C)C2=O)o1 2959297 SXFNRSQECIDKKC-LDADJPATSA-N 509.312 4.471 10 10 KICE CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1ccccc1 35332474 GRIIHXCIHDNGAX-SBICLSTASA-N 509.631 4.002 10 10 KICE CCCOC(=O)CCCN1C(=O)/C(=C/c2ccc(OCC(=O)N3CCCCC3)c(OC)c2)SC1=S 206873852 RAMSOAYYUCQHBL-PGMHBOJBSA-N 520.673 4.021 10 10 KICE CCN(CC)C(=O)COc1ccc(-c2c(C)sc(NC(=O)C(=O)N[C@@H]3CCCC[C@@H]3C)c2C(=O)OC)cc1 1860763703 NQVTYWDRRPYOPJ-LAUBAEHRSA-N 543.686 4.391 10 10 KICE CCc1ccc([C@H](C)NC(=O)C2=C(N)Oc3c(c(C)nn3-c3ccccn3)[C@@H]2c2ccc(O)c(O)c2)cc1 1864009908 NBRKNKJIHBAATK-LMKMVOKYSA-N 511.582 4.121 10 10 KICE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCc1ccccc1)[C@@H]2c1ccc(O)c(O)c1 1864015909 GHSHKQAJZMNTIQ-XMMPIXPASA-N 510.594 4.425 10 10 KICE CCCc1nn(CC)c2c1[C@H](c1cccc(C)c1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865563761 SHAQQNWMAGSTDO-VWLOTQADSA-N 515.658 4.216 10 10 KICE O=C(COc1cccc2c1C(=O)N(Cc1ccccc1)C2=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1865836501 QJZDGSSCJNGDGU-UHFFFAOYSA-N 516.509 4.276 10 10 KICE COc1ccc(CN2C(=O)c3ccc(C(=O)N[C@H](C)C(=O)NC[C@H](c4ccc(N(C)C)cc4)N4CCCCC4)cc3C2=O)cc1 1867445949 QXOQBAASZXNMJX-SLGOVJDISA-N 611.743 4.019 10 10 KICE COCCCN1[C@@H](C)CN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(Cc3ccccc3)n2)C[C@H]1C 1869074659 RMGYSGDAUGVNJK-WMPKNSHKSA-N 544.744 4.338 10 10 KICE COCCCn1cc(OCCCc2ccccc2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870686222 MWXHLWKNAKDDOF-UHFFFAOYSA-N 505.659 4.227 10 10 KICE CCOc1cn(Cc2ccc(S(N)(=O)=O)cc2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870788788 WTPVBGCTZPTCML-UHFFFAOYSA-N 504.612 4.298 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCCCN(C)C)C(=O)N(CCc3c[nH]c4ccccc34)C2=O)cc1 1873165103 BRKXOZWAXGJCBM-UHFFFAOYSA-N 509.654 4.439 10 10 KICE COc1ccccc1-n1c(C)cc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c1C 1874191799 HPRJXOBLLVFKRC-UHFFFAOYSA-N 504.008 4.029 10 10 KICE CCCN1C(=O)C(=Cc2c(N3CCN(c4ccc(F)cc4)CC3)nc3c(C)cccn3c2=O)SC1=S 2296732171 CMWJRZVBXBDYKC-UHFFFAOYSA-N 523.659 4.080 10 10 KICE CCOc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCCSc1ccc(C)cc1 2297344975 CRVMVNNYJGKSON-UHFFFAOYSA-N 544.680 4.186 10 10 KICE CCOC(=O)CCCN1C(=O)C(=Cc2cc(Br)c(OCC(=O)N(CC)CC)c(OC)c2)SC1=S 2314760475 KIAYBEWEHMMEAH-UHFFFAOYSA-N 573.531 4.249 10 10 KICE Cc1ccc2nc(N3CCN(c4ccccc4F)CC3)c(/C=C3/SC(=S)N(CC(C)C)C3=O)c(=O)n2c1 1451400 UQTJSWTZTHCYKE-HYARGMPZSA-N 537.686 4.326 10 10 KICE COc1cc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OCc1ccccc1[N+](=O)[O-] 1840026 AAHXLAIEJUNXJI-MJSBPXROSA-N 514.523 4.245 10 10 KICE COCCOCCOc1cc(Nc2c(C)cc(C)c(S(=O)(=O)O)c2C)c2c(c1N)C(=O)c1ccccc1C2=O 100418104 MTIUYSJKMWPFRW-UHFFFAOYSA-N 554.621 4.002 10 10 KICE Cc1ccccc1OCCOc1ccc(/C=C2\C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)cc1 103618047 VZAMZBBNHCTAFB-UKHUTJJTSA-N 517.611 4.084 10 10 KICE CC(C)(C)C(=O)OC[C@@H]1O[C@H](N=[N+]=[N-])[C@@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C 616626262 ZRIINKFKQWXADE-PNKHAZJDSA-N 541.642 4.485 10 10 KICE CCOc1ccc(OCC(=O)N2CCC(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)CC2)cc1 1860590885 DFXJVYMPHXDRSE-UHFFFAOYSA-N 512.562 4.117 10 10 KICE CCCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)c1ccc3c(c1)CCCC3)=C(N)O2 1864013704 ZCQVDUODLISPDD-UPCLLVRISA-N 502.615 4.235 10 10 KICE CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccccc1)=C(N)O2 1864017028 CSFQTSUUQLQIAM-RUZDIDTESA-N 510.594 4.208 10 10 KICE COC(=O)c1c(NC(=O)[C@H](CCC(N)=O)NC(=O)OC(C)(C)C)sc(C)c1-c1ccc(Br)cc1 1866239737 UDQYDDOKHVASOH-HNNXBMFYSA-N 554.463 4.370 10 10 KICE CC(=O)Nc1cccc(C(=O)N[C@@H](Cc2ccc(OC(C)=O)cc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867641337 VWHWBVQPLYCVMI-LQJZCPKCSA-N 613.759 4.321 10 10 KICE CN(C)c1ccc([C@H](CNC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)N2CCCCC2)cc1 1867782893 XQICPAXABGCOJM-DITALETJSA-N 646.764 4.321 10 10 KICE Cc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CC(=O)N3CCc4ccccc4[C@H]3C2)n1 1868480432 AGBWNGGFZQRRCT-RUZDIDTESA-N 515.573 4.250 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3cc(C)n(-c4cccc(C)c4)n3)c3ccccc3)CC2)cc1 1868768609 SAVVFQFOZIDSFM-GDLZYMKVSA-N 523.637 4.318 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](CSCc3ccccc3)NC(=O)c3cc(-c4ccco4)n(C)n3)CC2)cc1 1869039769 KZTWYIAGFZRZCH-AREMUKBSSA-N 559.692 4.069 10 10 KICE CCOc1ccc(CCn2cc(OC)c(=O)cc2CN2CCN(c3ccc(OC)cc3)CC2)cc1OCC 1870555911 DFKCZVAHSCWHEN-UHFFFAOYSA-N 521.658 4.228 10 10 KICE COc1ccc(N2CCN(c3nc(=NCCCCCCO)nc(Nc4ccc(C(C)C)cc4)[nH]3)CC2)cc1 1871506334 MVOHWCXWOIIPPO-UHFFFAOYSA-N 519.694 4.460 10 10 KICE Cc1cc(OCCCOc2ccc(C=C3C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2)ccc1Cl 2297345347 OPQRAMXUTGCJNW-UHFFFAOYSA-N 533.031 4.118 10 10 KICE Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(CCNC(=O)C=Cc3ccc(Cl)cc3Cl)cc2)cc1 2330906176 LNASFCVGQJHZGF-UHFFFAOYSA-N 534.421 4.425 10 10 KICE CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 2189244 PYOWSCZPAKVNMI-ZJTZAHLKSA-N 555.656 4.243 10 10 KICE CS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(OCc4ccc(Cl)cc4)c(Cl)c3)C(=O)N=C2S1 20208036 GYRWOFAVEMCSDF-FCASDSMHSA-N 509.396 4.194 10 10 KICE COc1ccc(CN2C(=O)/C(=C/c3cc4ccccc4nc3N3CCC(C(N)=O)CC3)SC2=S)cc1 38732785 HQXSDYGFYTULQO-HAHDFKILSA-N 518.664 4.347 10 10 KICE Cc1c(/C=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c(N2CCN(c3ccc(F)cc3)CC2)n(C)c(=O)c1C#N 150650787 QETYGVXBPHYOHC-IMRQLAEWSA-N 655.781 4.235 10 10 KICE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCc1ccc(OC)cc1)[C@H]2c1ccc(O)c(O)c1 1864016702 VSDMATRGRYLLHB-DEOSSOPVSA-N 526.593 4.391 10 10 KICE CCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H]1CCCC[C@@H]1C)=C(N)O2 1864017230 IPZQCNXZRCLUCT-FBOFTVOISA-N 518.614 4.244 10 10 KICE CCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC(C)C)=C(N)O2 1864019761 QGZUPAGDNNKGLS-QFIPXVFZSA-N 527.021 4.125 10 10 KICE CCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2c(F)cccc2Cl)[C@H]1c1ccc(O)c(O)c1 1864023243 WIIJELHQPJMZLY-QGZVFWFLSA-N 540.901 4.375 10 10 KICE COc1ccc(CN2C(=O)c3ccc(C(=O)N[C@@H](C)C(=O)NC[C@@H](c4ccc(N(C)C)cc4)N4CCCCC4)cc3C2=O)cc1 1867445946 QXOQBAASZXNMJX-FWUCURJTSA-N 611.743 4.019 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCN(c5ccccc5OC)CC4)nc(C(C)(C)C)n3)CC2)cc1 1867969336 VZWBZVOEYWLIBD-UHFFFAOYSA-N 516.690 4.445 10 10 KICE COc1ccc(N2CCN(c3nc(=NCCc4ccccc4)[nH]c(=Nc4cc(C)ccc4C)[nH]3)CC2)cc1 1871671032 WXRAFYIOIFADBK-UHFFFAOYSA-N 509.658 4.066 10 10 KICE CCn1c(C(=O)NCc2ccc(Cl)cc2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873574648 YUNAOVLAHYWSOL-UHFFFAOYSA-N 505.022 4.370 10 10 KICE N=C1C(=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N=C2SC(CC(=O)N3CCCCC3)=NN12 2297499711 XBILFSFXAJPDIR-UHFFFAOYSA-N 532.582 4.196 10 10 KICE O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)C1=Cc1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 2313556502 BDPOZHKXRHAMRE-UHFFFAOYSA-N 566.320 4.331 10 10 KICE CCOCCN1CCN(C(=O)CCc2ccc(-c3ccc(F)cc3)n2-c2ccc(NC(C)=O)cc2)CC1 23447232 NQSLIMCTCVQYCA-UHFFFAOYSA-N 506.622 4.355 10 10 KICE C[C@@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3\SC(=S)N([C@@H]4CCS(=O)(=O)C4)C3=O)c2)C1 150452287 DZLLBKLAWWBQKP-PHBRNIDKSA-N 642.850 4.348 10 10 KICE CSCC[C@]1(C(=O)O)N[C@H](c2cccc(OC(F)(F)F)c2)[C@@H]2C(=O)N(Cc3ccc4c(c3)C(=O)c3ccccc3C4=O)C(=O)[C@H]21 247550675 VUWIJPFWNXXWQO-FXIKWKPTSA-N 638.620 4.383 10 10 KICE CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1OC)=C(N)O2 1864017923 YLNACIFNRMVWTF-VWLOTQADSA-N 526.593 4.174 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)CCc3nc(-c4ccc(F)cc4)cs3)CC2)cc1 1868911733 GJMVTXLQBZQJDO-DEOSSOPVSA-N 556.729 4.477 10 10 KICE CCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N(Cc2ccccc2)C(=O)[C@@H]2CCCN2)n1 1869214910 KWSNJNXIQWTCAI-SANMLTNESA-N 514.674 4.050 10 10 KICE CCCCCCn1cc(OCC(=O)N[C@H](C)CC)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870529276 FQXFPBMRTKZBME-HSZRJFAPSA-N 512.695 4.053 10 10 KICE CCOc1ccccc1OCC(=O)Oc1ccc(C(=O)CCN2CCN(c3ccc(OC)cc3)CC2)cc1 1874740864 IRGOTJCJZCBLRK-UHFFFAOYSA-N 518.610 4.473 10 10 KICE CCOc1ccc(C=CC(=O)Nc2nc(N3CCN(c4ccc(OC)cc4)CC3)nn2C(C)(C)C)cc1 2331397114 JLWNISUKUZAQDA-UHFFFAOYSA-N 504.635 4.419 10 10 KICE Cc1c(NC(=O)CN2C(=O)/C(=C3/SC(=S)N(C4CCCCC4)C3=O)c3ccccc32)c(=O)n(-c2ccccc2)n1C 2533655 RAJLMLMULRGRCR-SHHOIMCASA-N 587.727 4.374 10 10 KICE Cc1ccc(/C=C/c2onc(C)c2S(=O)(=O)N2CCC(C(=O)NCc3ccc(N(C)C)cc3)CC2)cc1 8610362 OTNJIZBADJCIDK-SDNWHVSQSA-N 522.671 4.245 10 10 KICE O=C1/C(=C/c2ccc(Cl)cc2)SC(=S)N1CC(=O)N(Cc1ccc(N2CCCCC2)o1)[C@@H]1CCS(=O)(=O)C1 101909660 FTIYYWASXGTVAB-IDCRMVTHSA-N 594.180 4.340 10 10 KICE COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OC(=O)c4ccccc4F)c(OC)c3)C2=O)cc1 102444458 UJQUXDRUSTWEPH-WOJGMQOQSA-N 524.888 4.382 10 10 KICE CCCOc1ccc(C2=C(O)C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@H]2c2ccc(N(C)C)cc2)cc1OC 526312240 RGSSACKKPSADCE-SANMLTNESA-N 537.638 4.255 10 10 KICE CCN(CC)c1ccc([C@H]2C(c3ccc(OC)c(OC)c3)=C(O)C(=O)N2c2ccc(S(N)(=O)=O)cc2)cc1 526313649 SPZZGCBWFGJGCU-SANMLTNESA-N 537.638 4.255 10 10 KICE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccnc1)=C(N)O2 1864011674 XPPBCTKEHULZRI-QHCPKHFHSA-N 532.000 4.295 10 10 KICE CCCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1OC)=C(N)O2 1864012515 BXJATXUHOINLEQ-SANMLTNESA-N 540.620 4.315 10 10 KICE C[C@@H]1CCCC[C@H]1NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccn2)[C@@H]1c1ccc(O)c(O)c1 1864023293 XNRSDLZKTTXALD-MUKKUYKPSA-N 529.519 4.087 10 10 KICE CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1865027315 GNCMPHISTGNCFV-QFIPXVFZSA-N 547.439 4.214 10 10 KICE CSCC[C@H](NC(=O)c1cccc(F)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867843421 WDQBCRRHZILASG-DQEYMECFSA-N 500.684 4.087 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCN(c5ccccn5)CC4)nc(Cc4ccccc4)n3)CC2)cc1 1867946144 GSEXIGAYKZDQOE-UHFFFAOYSA-N 521.669 4.124 10 10 KICE CCCC[C@@H](NC(=O)[C@H](c1ccc(OC)c(OC)c1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868863772 MTXLZCTVHKGRNM-NAKRPHOHSA-N 525.690 4.476 10 10 KICE CCOc1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1874642706 LIDXVTGPSBVUJA-LJAQVGFWSA-N 526.637 4.265 10 10 KICE Cc1cccn2c(=O)c(C=C3SC(=S)N(CCCc4ccccc4)C3=O)c(N3C[C@H](C)O[C@H](C)C3)nc12 2296212928 PWTMQXXGVNQROC-BGYRXZFFSA-N 534.707 4.451 10 10 KICE CCOc1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)ccc1OCCOc1ccc(C)c(C)c1 2296557174 UZQMSHMOSJECOK-UHFFFAOYSA-N 504.539 4.415 10 10 KICE COc1cc(C=C2SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc(I)c1O 2297512941 WYIPEBWPHKBIAL-UHFFFAOYSA-N 512.394 4.477 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)C=Cc3ccccc3Cl)CC2)cc1 2330451880 HVKUUFSQUHUHDK-MHZLTWQESA-N 520.029 4.144 10 10 KICE Cc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H]1CCCC[C@@H]1C)=C(N)O2 1864011978 OIGJPGFVHKKUEA-CCQPRUGESA-N 506.578 4.180 10 10 KICE CCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1864012409 ZHYRSJROXFTXQG-HXUWFJFHSA-N 503.386 4.179 10 10 KICE Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCc3ccccc31)=C(N)O2 1865028641 XCEJEDWZTDXAOA-SANMLTNESA-N 508.578 4.325 10 10 KICE CCCc1nn(CCC)c2c1[C@H](c1ccccc1OC)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865591181 SKGJHSPPYXLMBA-SANMLTNESA-N 545.684 4.306 10 10 KICE CSCC[C@H](NC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867206572 UYJPHVCLVRZBAA-QHCPKHFHSA-N 555.656 4.206 10 10 KICE CC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867430807 KYKLBBWNZQUQFB-ZWXJPIIXSA-N 609.771 4.443 10 10 KICE CC[C@@](C)(NC(=O)CCCC(=O)c1ccc(Br)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868732507 KTPRUIXTFIDBPH-HHHXNRCGSA-N 544.490 4.444 10 10 KICE O=C(CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)NCCc1nc2ccccc2[nH]1 1873943721 AAOPRJMCMODCMM-UHFFFAOYSA-N 502.578 4.200 10 10 KICE CCCCCN1C(=O)C(=Cc2c(N3CCN(c4ccc(OC)cc4)CC3)nc3ccccn3c2=O)SC1=S 2296544486 NJFJJVGJZWLTLD-UHFFFAOYSA-N 549.722 4.421 10 10 KICE CN1C(=O)C(=Cc2cn(CC(=O)N3CCCCCC3)c3ccc(Br)cc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 2297508975 DQQWRQSNHLEBFM-UHFFFAOYSA-N 641.588 4.344 10 10 KICE C[C@H]1CN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(Cc3ccccc3Cl)C2=O)C[C@H](C)O1 2314400505 NXSNNHXODKETCC-HOTGVXAUSA-N 527.071 4.363 10 10 KICE CCOc1cc(C=C2SC(=S)N([C@H](C(=O)OC)c3ccccc3)C2=O)ccc1OCC(=O)N(CC)CC 2314767263 FPUKJLQASXTUGA-DEOSSOPVSA-N 542.679 4.448 10 10 KICE O=C(O)CCCN1C(=O)C(=Cc2cn(CC(=O)OCCc3ccccc3)c3ccccc23)SC1=S 2326945434 SJFIBTFEDNWUCC-UHFFFAOYSA-N 508.621 4.493 10 10 KICE COc1ccc(N2CCN([C@H](CNC(=O)C3(c4ccc(OC)cc4)CCOCC3)c3ccco3)CC2)cc1 49486497 OWJLTXDHQFPJFB-HHHXNRCGSA-N 519.642 4.025 10 10 KICE COc1ccc(CCN2C(=O)/C(=C\c3c(N4C[C@@H](C)O[C@H](C)C4)nc4c(C)cccn4c3=O)SC2=S)cc1 100851286 KHRJEXUVGLTWEH-VOLNOZNDSA-N 550.706 4.069 10 10 KICE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(N3CCC[C@H](C)C3)nc12 100885915 WUHZKXYLVFAQOB-RPNTZMPASA-N 586.743 4.443 10 10 KICE CCc1sc(NC(=O)C(=O)NCc2ccccn2)c(C(=O)OC)c1-c1ccc(Br)cc1 1860763245 AIMIMKGZKGMNGP-UHFFFAOYSA-N 502.390 4.177 10 10 KICE Cc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccs1)=C(N)O2 1864011716 KHXCHLGQDFRFTO-JOCHJYFZSA-N 523.014 4.377 10 10 KICE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC(C)C)=C(N)O2 1864013643 YLEOGHCPAVOULB-HSZRJFAPSA-N 541.048 4.184 10 10 KICE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CC1)=C(N)O2 1864017727 SWCDVFIXNGEVBY-LJQANCHMSA-N 501.370 4.126 10 10 KICE CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867746605 BOSYOKJMHBVOGZ-FQLXRVMXSA-N 618.244 4.432 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)[C@H](c3ccc(OC)c(OC)c3)C(C)C)CC2)cc1 1868864747 ZRQSPWKCVJQQDZ-MVSFAKPFSA-N 575.706 4.234 10 10 KICE CC[C@@H](NC(=O)CCc1nc(-c2ccc(OC)cc2)cs1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868917883 UFNUKDWKCNGJES-XMMPIXPASA-N 522.671 4.004 10 10 KICE COc1ccc(CN2C(=O)C(=Cc3c(NC[C@@H](O)c4ccccc4)nc4ccccn4c3=O)SC2=S)cc1 2296545972 DNSWNGGAYTVKRP-JOCHJYFZSA-N 544.658 4.250 10 10 KICE O=C1C(=Cc2c(NCCc3ccccc3)nc3ccccn3c2=O)SC(=S)N1Cc1ccc2c(c1)OCO2 2314413586 BNPKOYGDCQFKFJ-UHFFFAOYSA-N 542.642 4.479 10 10 KICE CC[C@@H](Oc1ccc(C=C2SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1OC)C(=O)O 2314932894 PRWATJOMSDMPLG-OAHLLOKOSA-N 506.989 4.137 10 10 KICE C[C@H]1CN(C2=NC(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N4CCCC4)c3)S2)C[C@H](C)O1 101013411 JTUBGOSNSMSFRS-VNPDFKGRSA-N 577.732 4.403 10 10 KICE CCN(CC)C(=O)COc1ccc(-c2c(C)sc(NC(=O)C(=O)NCc3ccccc3OC)c2C(=O)OC)cc1 1860763932 SDJLXSDSEKUOSP-UHFFFAOYSA-N 567.664 4.021 10 10 KICE CCCC[C@H](NC(=O)c1ccc2nc(CC(C)C)[nH]c2c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862108482 WNNBTOJELMCMLG-VWLOTQADSA-N 505.663 4.407 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)c3cccc(Oc4ccccc4)c3)CC2)cc1 1862254130 NWMUXHXANOYTEB-AREMUKBSSA-N 503.624 4.351 10 10 KICE CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)c1ccc(OC)cc1)=C(N)O2 1864014571 YOHUKTZRKWGDDU-GKVSMKOHSA-N 541.608 4.212 10 10 KICE NC1=C(C(=O)NCCc2ccccc2)[C@@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3ccccn3)c2O1 1864016529 RNVRWNTXSQQMNQ-SANMLTNESA-N 545.599 4.399 10 10 KICE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCC1)=C(N)O2 1864018077 BZHCBRRVETWOKI-QFIPXVFZSA-N 509.006 4.312 10 10 KICE CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C)CC1)=C(N)O2 1865029543 PQRKWBPWSRMJHU-XMMPIXPASA-N 502.615 4.498 10 10 KICE C[C@H](NC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867420872 LMKUZEWIIWJZFN-QXNWPYRLSA-N 595.744 4.053 10 10 KICE C[C@H](NC(=O)c1ccccc1C(=O)c1ccccc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867543625 YKLUGCVSPFHSDN-MUAVYFROSA-N 526.681 4.445 10 10 KICE CCCOc1cn(CCOc2ccc(OC)cc2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870658735 GJJHPBFTZAJVKX-UHFFFAOYSA-N 507.631 4.056 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)c3sccc3C)CC2)cc1 1874642784 MZJFIQOHDDDDII-VWLOTQADSA-N 502.640 4.236 10 10 KICE COc1cc(C=C2C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc(I)c1OS(=O)(=O)c1ccc(C)cc1 2313541154 XPBKRPOUNCKUNB-UHFFFAOYSA-N 632.432 4.351 10 10 KICE O=C1C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCCC3)c2)SC(=S)N1[C@H]1CCS(=O)(=O)C1 2314476862 XCLYGXWXSSCAQZ-QHCPKHFHSA-N 628.823 4.102 10 10 KICE CCOc1cc(C=C2SC(=S)N([C@H](C(=O)OC)c3ccccc3)C2=O)cc(Br)c1OCC(=O)N1CCOCC1 2314768990 NAOQIEYZYJLHOC-QHCPKHFHSA-N 635.558 4.201 10 10 KICE CCCNc1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(CCc2ccc(OC)c(OC)c2)C1=O 33524696 WQFYIOIGTRWKBE-STZFKDTASA-N 524.668 4.286 10 10 KICE CCCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(c2c(C)n(C)n(-c3ccccc3)c2=O)C1=O 110076025 DMYIZCBXECOXBS-HKWRFOASSA-N 546.678 4.028 10 10 KICE CCOC(=O)c1c(NC(=O)C(=O)NCCCCCC(=O)O)sc(C)c1-c1ccc(Br)cc1 1860759363 YRSCMAOZBNSEHW-UHFFFAOYSA-N 525.421 4.362 10 10 KICE Cc1ccc(C)c(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)N2CCCC2)[C@H]3c2ccc(O)c(O)c2)c1 1865034430 WKBMMJPMRXBFOF-FQEVSTJZSA-N 528.531 4.295 10 10 KICE CC(C)Cc1nc(C(=O)NC(C)(C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c2ccccn12 1866866948 OPBNWIGDLLOSMX-UHFFFAOYSA-N 508.578 4.455 10 10 KICE C[C@@H](NC(=O)c1cc(C2CC2)n2nc(C3CC3)cc2n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867176042 XDERIXSNSJJMMB-OAHLLOKOSA-N 519.561 4.017 10 10 KICE Cc1oc(-c2ccc(C(C)C)cc2)nc1CC(=O)N[C@@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867181574 KKNQAXVQOKBAEJ-SANMLTNESA-N 551.599 4.207 10 10 KICE CCOCCCN1C(=O)C(NCCc2ccc(OC)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873166184 GESIJDLYFCJIRA-UHFFFAOYSA-N 501.627 4.442 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc4nc[nH]c4c3)C(=O)N(CCCn3ccnc3)C2=O)cc1 1873423077 DBZCTPDQNNZXEC-UHFFFAOYSA-N 505.582 4.449 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccccc3S(C)(=O)=O)C(=O)N(CCCCN(C)C)C2=O)cc1 1873425179 QHIJLRDJNXJLSS-UHFFFAOYSA-N 534.682 4.031 10 10 KICE COc1ccc(N2CCN(CCC(=O)c3cccc(NC(=O)c4ccc(OC(C)=O)cc4)c3)CC2)cc1 1874725310 SXCQHCUENOVYFM-UHFFFAOYSA-N 501.583 4.268 10 10 KICE COc1ccc(N2CCN(CCC(=O)c3ccc(NC(=O)Cc4ccc(OC)cc4OC)cc3)CC2)cc1 1874750226 JZHXWRJILBZBJA-UHFFFAOYSA-N 517.626 4.289 10 10 KICE COc1cc(C=C2C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 2313540909 BTTIWVYZDOWIIJ-UHFFFAOYSA-N 571.405 4.200 10 10 KICE CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(COc4ccc(F)cc4F)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 2782705 LZFSHYSXRYHPDY-MFCBUNOESA-N 579.625 4.315 10 10 KICE CCCCCCN1C(=O)/C(=C\c2c(N3CCN(C(=O)OCC)CC3)nc3ccc(C)cn3c2=O)SC1=S 100849775 FMELSIDVUFKKGA-CAPFRKAQSA-N 543.715 4.063 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@H]1c1cc(OC)ccc1OC 252670958 MEURJESJDSNBBE-NDEPHWFRSA-N 575.662 4.362 10 10 KICE CCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(C)cc1)=C(N)O2 1864019952 SCUJPPZEYJEKLC-RUZDIDTESA-N 510.594 4.224 10 10 KICE CCCc1nn(CC(C)C)c2c1[C@H](c1ccco1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865307977 VXUAQXVKNYEMGV-VWLOTQADSA-N 519.646 4.137 10 10 KICE CCc1nn(Cc2ccccc2)c2c1[C@H](c1ccco1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865318697 RDOIIXAQEUMVMZ-MHZLTWQESA-N 539.636 4.139 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)[C@H](Cc3ccncc3)c3ccccc3)CC2)cc1 1868673444 NKMDKVXCWOOPQZ-IZLXSDGUSA-N 532.710 4.003 10 10 KICE Cc1cccn2c(=O)c(C=C3SC(=S)N(CCCc4ccccc4)C3=O)c(N3C[C@@H](C)O[C@H](C)C3)nc12 2296212930 PWTMQXXGVNQROC-WOJBJXKFSA-N 534.707 4.451 10 10 KICE COc1cc(C=C2C(=O)NC(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(I)c1O 2297332980 SIHQENRKBFCMJS-UHFFFAOYSA-N 566.657 4.344 10 10 KICE CCN1C(=O)C(=Cc2cc(C)n(-c3sc(C)c(C)c3C(=O)OC)c2C)c2cc(S(=O)(=O)N3CCOCC3)ccc21 2297508950 AXCSMFPKMWVRHQ-UHFFFAOYSA-N 583.732 4.487 10 10 KICE CCC[C@@H](NC(=O)CNC(=O)c1ccc(C=C2SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1)C(=O)O 2297580256 PQORJUKFDNPKHW-GOSISDBHSA-N 565.595 4.211 10 10 KICE COc1cc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc(OC)c1OCCOc1ccccc1 2367625 IUSTWDDXVMXWBS-XTLWELDGSA-N 529.578 4.224 10 10 KICE CCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2NCc2ccc3c(c2)OCO3)SC1=S 40066456 WOPLSRJEQQGMKE-NHDPSOOVSA-N 510.641 4.390 10 10 KICE CCOC(=O)N1CCN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(Cc3ccccc3Cl)C2=O)CC1 100849988 DWNZNAYWNJTNNN-HMMYKYKNSA-N 570.096 4.028 10 10 KICE COc1ccc(CCN2C(=O)/C(=C\c3c(NC[C@@H](O)c4ccccc4)nc4ccccn4c3=O)SC2=S)cc1 102687526 NTLYRHUEUUAPOV-WDRHXJDGSA-N 558.685 4.293 10 10 KICE Cc1ccc(C(C)C)c(OCCOc2ccc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2)c1 104557819 QHWLELMSWXCSKQ-RDJYZGLESA-N 526.640 4.197 10 10 KICE Cc1ccc(/C=C2/SC(=S)N(CC(=O)N(Cc3ccc([C@@H]4C[C@@H]4C)o3)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 207313261 XKTYEIZRQAHNLO-HFVVVPPWSA-N 544.720 4.129 10 10 KICE CCCc1nn(C)c2c1[C@H](c1ccccc1Cl)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865160939 KJKMSAAHWZESAI-QHCPKHFHSA-N 522.049 4.078 10 10 KICE CC(=O)Oc1ccc(C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867718616 NFXFYCPHUDJLJS-FIRIVFDPSA-N 572.706 4.068 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)COc4c(C)ccc(C)c4C)n(C(C)(C)C)n3)CC2)cc1 1869970839 RKFDMAOUPBPKER-UHFFFAOYSA-N 506.651 4.311 10 10 KICE CCCOc1ccccc1NC(=O)c1cc(OC(C)=O)c2c(c1)C(=O)c1cccc(OC(C)=O)c1C2=O 1873926296 FXMAAXTYFYYYLN-UHFFFAOYSA-N 501.491 4.354 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](C)c3ccccc3)CC2)cc1 1874643100 SCKWMIRMWXQQAY-MNNSJKJDSA-N 510.638 4.356 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)cc3)c(=O)n2[C@H]1C=Cc1ccccc1 2295924270 MTMMWWZCWPGIKB-DEOSSOPVSA-N 501.652 4.310 10 10 KICE Cc1cccn2c(=O)c(C=C3SC(=S)N(CCc4ccccc4)C3=O)c(N3C[C@H](C)O[C@H](C)C3)nc12 2296698655 ACXMVWKPNPMNQX-KDURUIRLSA-N 520.680 4.060 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)C(C)=Cc3cccc(Cl)c3)CC2)cc1 2330120561 LFFBCTLIRFRBJV-XMMPIXPASA-N 502.080 4.339 10 10 KICE COc1ccc(OC)c(N2C(=O)/C(=C/c3ccc(OC)c(CN4C(=O)c5ccccc5C4=O)c3)C(O)=NC2=S)c1 1823100 HICQWKKACYAACV-FYJGNVAPSA-N 557.584 4.180 10 10 KICE CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3)c(=O)n2[C@@H]1c1ccc(OCC)c(OC)c1 101095304 KUCXSTBMDPTVHP-DBXPASCUSA-N 549.693 4.052 10 10 KICE CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\N1CCN(/C=C2/C(=O)N(c3ccc(C)c(C)c3)N=C2C)CC1 101350651 BFMXPVYQWQYTDF-HJVIKEODSA-N 510.642 4.451 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)cc3OC)c(=O)n2[C@H]1c1ccc(OCC)cc1 1081111532 NQTRVUSUQVIUMS-MHZLTWQESA-N 549.693 4.052 10 10 KICE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)NCc2ccccc2F)[C@H]3c2ccc(O)c(O)c2)cc1 1864009093 ZDDKYXRTWUPEHD-VWLOTQADSA-N 514.557 4.110 10 10 KICE CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cc(C)ccc1C)=C(N)O2 1864017193 HRIUDVDSBOEIHR-VWLOTQADSA-N 510.594 4.474 10 10 KICE CCN(CCc1ccncc1)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2CC)[C@H]1c1ccc(O)c(O)c1 1865031215 BSBGELNOJOYNBP-XMMPIXPASA-N 525.609 4.162 10 10 KICE COc1ccc(CCN2C(=O)c3ccc(C(=O)N[C@@H](C)C(=O)NC[C@@H](c4ccc(N(C)C)cc4)N4CCCCC4)cc3C2=O)cc1 1867493775 BKRDEDYKYYSZIN-BNHRFMORSA-N 625.770 4.062 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCN(c5ccccn5)CC4)nc(-c4cccc(OC)c4)n3)CC2)cc1 1867993591 WFNMADDWXYYJHW-UHFFFAOYSA-N 537.668 4.209 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)c3cccc(-n4cccc4)c3)CC2)cc1 1868614506 WLOCPVUFSVVMNH-LJAQVGFWSA-N 526.612 4.315 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)c3cc(-c4ccccc4)on3)CC2)cc1 1868754301 WAHHQSZTUOZVPY-MHZLTWQESA-N 528.584 4.179 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCN[C@@H](c5cn(C)c6ccccc56)C4=O)nc(C(C)C)n3)CC2)cc1 1869104786 YALJGMYTJLPLLL-LJAQVGFWSA-N 539.684 4.104 10 10 KICE COc1ccc(N2CCN(Cc3cc(=O)c(OCCOc4ccccc4)cn3Cc3ccco3)CC2)cc1 1870600495 UINPVTVEEDEJCW-UHFFFAOYSA-N 515.610 4.278 10 10 KICE COc1ccc(N2CCN(c3nc(=NCc4ccccn4)nc(Nc4ccc(Cl)c(C)c4)[nH]3)CC2)cc1 1871666588 FHNKGJVCQQBOME-UHFFFAOYSA-N 517.037 4.341 10 10 KICE CCOc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc(Cl)c1OCc1ccc(F)cc1 2297344992 DVWPPNQHAWUUKW-UHFFFAOYSA-N 536.994 4.078 10 10 KICE CC[C@H](C)Oc1c(I)cc(C=C2C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1OC 2297454064 FDIBJYGNCBKAJR-LBPRGKRZSA-N 554.381 4.448 10 10 KICE COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(OCc4ccccn4)c(OC)c3)C2=O)cc1 2297507835 WKEBQNFBDCDQQC-UHFFFAOYSA-N 538.354 4.107 10 10 KICE COc1cc(C=C2SC(=S)N(NC(=O)c3ccccc3)C2=O)cc(Br)c1OCC(=O)N1CCCCC1 2314765285 ZJIGSMCMVHZIPP-UHFFFAOYSA-N 590.521 4.395 10 10 KICE O=C(CCCN1C(=O)C(=Cc2ccccc2OC(F)F)SC1=S)N(CCO)Cc1ccccc1 2314937090 UOHMGXLJOVZPRL-UHFFFAOYSA-N 506.596 4.291 10 10 KICE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3/SC(N)=NC3=O)c2)C1 35447648 TXTFPAPPZGDECU-JDQAAXRKSA-N 521.668 4.135 10 10 KICE CCOCCCN1C(=O)/C(=C\c2c(Oc3ccccc3OC)nc3c(C)cccn3c2=O)SC1=S 39836099 WGNKWRCXDXPWDK-HMMYKYKNSA-N 511.625 4.432 10 10 KICE CCCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CCC)c2N2C[C@H](C)O[C@H](C)C2)SC1=S 39990236 QYXDPVXCJJCCLY-POKCEJIYSA-N 502.706 4.443 10 10 KICE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCCOc4ccccc4C)c(Cl)c3)C(=N)N21 101395673 HHUOTIHTIWPNBR-HELPIZENSA-N 533.031 4.118 10 10 KICE O=S(=O)(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cc(Br)ccc1O)N2 226714939 OACYRSBTFXIYPG-XITLKHQFSA-N 505.434 4.439 10 10 KICE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccccc1)=C(N)O2 1864010961 QQUGCUQEAJEHEJ-AREMUKBSSA-N 540.620 4.298 10 10 KICE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)NC2CC2)=C(N)O3)cc1 1864017622 QEDIPHUBVHOTJH-DEOSSOPVSA-N 542.567 4.131 10 10 KICE CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)c1ccc(OC)c(OC)c1)=C(N)O2 1864021252 NZZSVNDGEOXRCL-FYSMJZIKSA-N 536.629 4.102 10 10 KICE CC[C@](C)(NC(=O)CCCC(=O)c1ccc(Br)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868732508 KTPRUIXTFIDBPH-MHZLTWQESA-N 544.490 4.444 10 10 KICE CCC[C@H](NC(=O)CCc1nc(-c2ccc(OC)cc2)cs1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868917943 VQXXGHRUYVHPPH-VWLOTQADSA-N 536.698 4.394 10 10 KICE CCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CC[C@@H](O)C[C@H]2c2ccc(OC)c(OC)c2)n1 1869231563 YCCAJGACCBMNTH-RSXGOPAZSA-N 547.700 4.484 10 10 KICE CC(C)CCOC(=O)COc1cn(CCOCCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871031940 JWNAZLXLJJECHI-UHFFFAOYSA-N 523.630 4.181 10 10 KICE CCCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(CCc2ccc(OC)c(OC)c2)C1=O 2296697756 IUUZGOWLPNVSLA-UHFFFAOYSA-N 524.668 4.286 10 10 KICE CCCN(CCC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N(CCS(=O)(=O)O)C2=O)c1 2314475965 GNTYXZOGJDNNJU-UHFFFAOYSA-N 634.827 4.439 10 10 KICE COc1ccc(/C=C2/SC(=S)N(CCC(=O)N(Cc3cccc(Cl)c3)[C@H]3CCS(=O)(=O)C3)C2=O)cc1 102998011 LOSALALYMDNQQT-ISXGRJCASA-N 565.138 4.156 10 10 KICE CCc1nnc(NS(=O)(=O)c2ccc(N/C=C3/C(=O)N(c4ccc(Cl)c(OC)c4)N=C3C)cc2)s1 103646312 SZDILFPMAGGGBT-SFQUDFHCSA-N 533.035 4.282 10 10 KICE CCOC(=O)COc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1OCC 1083909200 HUTUHKPAJXMODP-SXGWCWSVSA-N 551.777 4.110 10 10 KICE COC(=O)c1c(NC(=O)C(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)sc(C)c1-c1ccc(C)c(C)c1 1860748949 PNMOBKIBCHZEHK-UHFFFAOYSA-N 507.568 4.059 10 10 KICE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCCOc2cc(C)cc(C)c2)[C@H]3c2ccc(O)c(O)c2)cc1 1864008111 CBFMXEDCSYCXHG-MHZLTWQESA-N 540.620 4.407 10 10 KICE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)NCc2cccs2)[C@@H]3c2ccc(O)c(O)c2)c1 1864012325 XTPRCYPBVXYIDS-XMMPIXPASA-N 516.623 4.340 10 10 KICE CCCn1nc(CC)c2c1OC(N)=C(C(=O)NCc1ccc(OC(C)(C)C)cc1)[C@H]2c1ccc(O)c(O)c1 1864022417 VYVTUIVVNXKGTN-QHCPKHFHSA-N 520.630 4.455 10 10 KICE CC[C@H](C)NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(F)cc2)[C@H]1c1ccc(O)c(O)c1 1864023481 ZKUNQWAXHBHYFB-KPZWWZAWSA-N 520.483 4.110 10 10 KICE Cc1nnc([C@@H](CC(=O)NC(C)(C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c2ccccc2)o1 1867031777 HOQLTQSEJXQURM-QFIPXVFZSA-N 522.561 4.209 10 10 KICE CC[C@@](C)(NC(=O)c1ccc(OC)c(OC)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867313541 DYVILQOQWVGCOF-FUFSCUOVSA-N 510.679 4.012 10 10 KICE C[C@@H](NC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867527227 BGGXGUZYTVCXOK-MNNSJKJDSA-N 567.690 4.015 10 10 KICE CC(=O)Oc1ccc(C[C@@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867828847 WVADDVLPOZZCLJ-JSOSNVBQSA-N 646.701 4.179 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)Cc3nc(-c4ccc(C(C)(C)C)cc4)oc3C)CC2)cc1 1868656598 XLEWMEZGTDISHZ-FQEVSTJZSA-N 518.658 4.352 10 10 KICE CCc1ccc(-c2nc(CC(=O)N[C@@H](CCSC)C(=O)N3CCN(c4ccc(OC)cc4)CC3)c(C)o2)cc1 1868988916 XFDRVQHDIGYDMV-SANMLTNESA-N 550.725 4.350 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)C[C@@H](C)c3cccc(Cl)c3)CC2)cc1 1868995774 VJQQRIJZQDAWPB-NTKDMRAZSA-N 504.096 4.429 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCN(c5ccc6oc(O)nc6c5)CC4)nc(-c4cccnc4)n3)CC2)cc1 1869360656 YTNRITLYGSOETA-UHFFFAOYSA-N 564.650 4.047 10 10 KICE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4cccc5ccccc45)cn3C[C@@H](C)O)CC2)cc1 1870487741 KBQGBKJMDNDJNF-HSZRJFAPSA-N 513.638 4.292 10 10 KICE COc1ccc(OCCn2cc(OCC(N)=O)c(=O)cc2CNc2ccc(Nc3ccccc3)cc2)cc1 1871118686 BTORGIBQIWFNFA-UHFFFAOYSA-N 514.582 4.156 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)Cc3ccc(C)cc3)CC2)cc1 1874642816 NJVQAMJNHKCBEU-LJAQVGFWSA-N 510.638 4.104 10 10 KICE CCN1CCN(c2nc3c(C)cccn3c(=O)c2C=C2SC(=S)N([C@H](C)c3ccccc3)C2=O)CC1 2296696364 LRIIOQAVIXFRHU-LJQANCHMSA-N 519.696 4.107 10 10 KICE CCCCN1C(=O)C(=Cc2c(N3CCN(c4ccc(OC)cc4)CC3)nc3ccccn3c2=O)SC1=S 2296845248 OYYZIMOOLFZBTP-UHFFFAOYSA-N 535.695 4.031 10 10 KICE COc1cc(C=C2C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)cc(Cl)c1OCc1ccccc1 2297302795 GGIFUHXPUUTBIV-UHFFFAOYSA-N 511.987 4.381 10 10 KICE Cc1ccc2nc(NC3CCCC3)c(/C=C3\SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(=O)n2c1 33726914 KXEFKHMAMGCRCV-NHDPSOOVSA-N 520.636 4.488 10 10 KICE CCOc1cc(/C=C2/C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)cc(Br)c1O 102037517 PEADJGCRJIHLFC-MLPAPPSSSA-N 526.206 4.147 10 10 KICE C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)CN2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)[C@H]2CCS(=O)(=O)C2)o1 256042196 LRELHISQNTZOOJ-SNSJXNMTSA-N 565.138 4.474 10 10 KICE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOCC)=C(N)O2 1864011565 VIXJIBIUQVPQGI-QFIPXVFZSA-N 527.021 4.127 10 10 KICE CCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC13CC4CC(CC(C4)C1)C3)=C(N)O2 1864019080 VPAITFXIIAHONL-FPSYDYKTSA-N 527.625 4.021 10 10 KICE CC(C)NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2c(F)cccc2Cl)[C@H]1c1ccc(O)c(O)c1 1864022367 MIIOKYLFMOGBBU-QGZVFWFLSA-N 540.901 4.373 10 10 KICE CCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](C)C1)=C(N)O2 1865032325 AGJLZXDVRAQVNB-UUOWRZLLSA-N 502.615 4.167 10 10 KICE CN(C)c1ccc([C@H](CNC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)N2CCCCC2)cc1 1867831621 WEFLCEUOEAGLGA-WDYNHAJCSA-N 606.655 4.393 10 10 KICE CCC1=NN(Cc2c(F)cccc2Cl)C(=O)C1=Cc1ccc(OCCN2CCOCC2)c(OC)c1 2332106544 FIWZUERPEKNGEI-UHFFFAOYSA-N 501.986 4.391 10 10 KICE COc1ccc([C@@H]2[C@H](C(=O)N3CCN(c4ccc(OC)cc4)CC3)CC(=O)N2c2ccc(OC)cc2)cc1 4761082 PTGJENBUJKIRDF-XRKRLSELSA-N 515.610 4.155 10 10 KICE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOc1ccccc1)=C(N)O2 1864010550 NLMRKQIJFPKLRR-RUZDIDTESA-N 526.593 4.126 10 10 KICE CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN(CC)CC)=C(N)O2 1864011750 XQMIYNYVKXMVLL-AREMUKBSSA-N 547.700 4.477 10 10 KICE CCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)Cc1ccccc1)=C(N)O2 1865033094 RNNPQQGWHMNVGT-RUZDIDTESA-N 526.593 4.208 10 10 KICE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1ccccc1F 1865069261 UNRANMLFYVIMQQ-HXUWFJFHSA-N 545.537 4.113 10 10 KICE CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1ccccc1OC(C)C 1865456747 IHLRTHSTPAHOTG-MHZLTWQESA-N 545.684 4.441 10 10 KICE O=C(CCc1ccc2nc(O)c(-c3ccccc3)cc2c1)N[C@@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866930315 BGKDBVBOULLRLS-LJAQVGFWSA-N 585.616 4.431 10 10 KICE COc1ccc(N2CCN(c3nc(=NC(=O)c4[nH]c5ccc(C)cc5c4C)n(-c4ccccc4)[nH]3)CC2)cc1 1869970457 JRSHTYXUGJTYKV-UHFFFAOYSA-N 521.625 4.375 10 10 KICE CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OCCOc4ccccc4C)c(Cl)c3)C(=N)N21 2297345558 HHUOTIHTIWPNBR-UHFFFAOYSA-N 533.031 4.118 10 10 KICE Cc1cc(C)cc(N2C(=O)C(=Cc3cn(CC(=O)N4CCCCC4)c4ccccc34)C(=O)NC2=S)c1 2297559093 MDTMZJHAXVNWQL-UHFFFAOYSA-N 500.624 4.102 10 10 KICE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(Br)c(Br)c1O 2313571429 WFNZMSNEBHZLKH-UHFFFAOYSA-N 528.128 4.121 10 10 KICE CCC(=CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1)c1ccc(OC)cc1 2329517739 LGXUXZVLTAONLI-PMERELPUSA-N 543.664 4.279 10 10 KICE CCN(CC)c1ccc(CN(C[C@H](O)COc2ccc(Cl)cc2Cl)[C@@H]2CCS(=O)(=O)C2)cc1 40317848 BJODLBDZHUHZIH-YADHBBJMSA-N 515.503 4.269 10 10 KICE COc1ccc(C(=O)Oc2c(Br)cc(/C=C3/C(=N)N4OC(C)=CC4=NC3=O)cc2OC)cc1OC 102466340 AMEXMDXTNIUJBS-QFDAQRMXSA-N 542.342 4.144 10 10 KICE CCOc1cc(/C=C2\C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)ccc1OCc1ccccc1 102469954 QVNOEKUDRRLLLW-IHRWIMNOSA-N 517.611 4.296 10 10 KICE COc1ccccc1[C@@H]1N[C@](Cc2c[nH]c3ccccc23)(C(=O)O)[C@H]2C(=O)N(Cc3ccc4c(c3)C(=O)c3ccccc3C4=O)C(=O)[C@H]21 248182575 FJMDFHMPEBJPSB-HIHXCXAJSA-N 639.664 4.464 10 10 KICE CCN(CC)c1ccc(C=c2sc3n(c2=O)[C@H](c2ccc(C(C)C)cc2)C(C(=O)OC)=C(C)N=3)cc1 1565518826 HFRWSLLNRVDNLK-AREMUKBSSA-N 503.668 4.378 10 10 KICE CCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1)=C(N)O2 1864019481 ZTLVNKQXTOYGTK-XMMPIXPASA-N 514.557 4.055 10 10 KICE Cc1ccc(-c2nc3cc(C(=O)N[C@@H](CO)C(=O)Nc4cccc5c4C(=O)c4ccccc4C5=O)ccc3o2)cc1 1866884523 ZVTRQOWWKZMLPM-VWLOTQADSA-N 545.551 4.308 10 10 KICE COc1cccc(OC)c1C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867361635 JDAKSBRJQBPCCF-VSGBNLITSA-N 574.722 4.160 10 10 KICE CC(=O)Oc1ccc(C[C@@H](NC(=O)c2ccc(OC(C)=O)cc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867717007 LVLIQBDIZDLEPW-CZNDPXEESA-N 614.743 4.288 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)Cc3ccccc3Cl)CC2)cc1 1874642466 FNOPQAHZKIJVES-NDEPHWFRSA-N 531.056 4.449 10 10 KICE COc1cc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)cc(Br)c1O 2294963534 TZZYYPWSKOBPHV-UHFFFAOYSA-N 526.206 4.066 10 10 KICE COc1ccc(C=C2SC(=S)N(CCC(=O)N(Cc3ccc([C@@H]4C[C@@H]4C)o3)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 2314828478 CEUSTVFLZUWVAX-LRXVAGHRSA-N 574.746 4.219 10 10 KICE CCN(CC)c1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(CCc2ccc(OC)c(OC)c2)C1=O 33931413 JJDVWZKTSRRSQI-LTGZKZEYSA-N 524.668 4.002 10 10 KICE CCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CCC)c2N2CCN(c3ccccc3)CC2)SC1=S 39990187 QPJOVMOESCGUBY-QJOMJCCJSA-N 521.712 4.376 10 10 KICE Cc1ccc(C(C)C)c(Oc2nc3ccccn3c(=O)c2/C=C2/SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c1 101061946 PYRPJDIZHDXEBA-VYVDHXHBSA-N 555.703 4.307 10 10 KICE O=C(O)CCCCCN1C(=O)/C(=C/c2c(Oc3ccccc3F)nc3ccccn3c2=O)SC1=S 213155863 XIBVEJLYKDXWDK-JXAWBTAJSA-N 513.572 4.472 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 254305795 XDONUGPBVIBCDZ-GDLZYMKVSA-N 598.681 4.352 10 10 KICE COC(=O)c1ccc(C(=O)OC)c(N2C(=O)C(O)=C(c3ccc(OC)cc3)[C@@H]2c2ccc(N(C)C)cc2)c1 526601158 KKCIEUVMWNPQAP-VWLOTQADSA-N 516.550 4.392 10 10 KICE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1C[C@H](C)C[C@@H](C)C1)[C@H]2c1ccc(O)c(O)c1 1865033530 BRBGZSHUGDNTGA-LBTNJELSSA-N 508.541 4.168 10 10 KICE CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CC(=O)N(c3ccc(N4CCCC4)cc3)C2)N2CCCCC2)cc1 1866279105 OCPIXPCRJIMYCW-UFHPHHKVSA-N 503.691 4.049 10 10 KICE CN(C)c1ccc([C@H](CNC(=O)[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)N2CCCCC2)cc1 1867356787 USMIPLHNJIHBMJ-NSOVKSMOSA-N 529.641 4.475 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)C[C@@H](c3ccccc3)c3ccc(F)c(F)c3)CC2)cc1 1868950532 OULHGPUIXPTMEA-NLFFAJNJSA-N 507.581 4.349 10 10 KICE COc1cc(OC)c(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc1Br 2313560683 BZLVNLWEKRDGOS-UHFFFAOYSA-N 526.206 4.060 10 10 KICE O=C(CN1C(=O)/C(=C2/SC(=S)N(C[C@@H]3CCCO3)C2=O)c2ccccc21)Nc1ccc(Cl)cc1 33482314 UMGXXXQUGDVNNG-BZROSYFNSA-N 514.028 4.076 10 10 KICE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)NCCCc2ccccc2)[C@H]3c2ccc(O)c(O)c2)cc1 1864012425 ZORNTASUFAJZQB-MHZLTWQESA-N 524.621 4.403 10 10 KICE CC1CCN(C(=O)C2=C(N)Oc3c(c(-c4ccccc4)nn3-c3ccccn3)[C@@H]2c2ccc(O)c(O)c2)CC1 1865031502 INFHDMRISOGMSD-DEOSSOPVSA-N 523.593 4.299 10 10 KICE CC(=O)Oc1ccc(C[C@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867810665 TXABVMKXYFJYIV-XDFJSJKPSA-N 660.728 4.487 10 10 KICE CCOC(=O)c1ccc(CN2C(=O)C(NCCN(CC)CC)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873169174 CPSZSJVFAIXELJ-UHFFFAOYSA-N 542.680 4.482 10 10 KICE Cc1cc(C)cc(OCCOc2ccc(C=C3C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2Cl)c1 2297345385 RMJLXRGUYRYDQT-UHFFFAOYSA-N 533.031 4.036 10 10 KICE O=C(O)COc1ccccc1C=C1SC(=S)N(NC(=O)COc2cc(Cl)c(Cl)cc2Cl)C1=O 2314397573 YWADMZOICJOBAJ-UHFFFAOYSA-N 547.825 4.422 10 10 KICE Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccc(F)cc4)C3=O)c(N3C[C@H](C)O[C@H](C)C3)nc12 2314400160 JMEFQFFUYRVHLZ-CALCHBBNSA-N 524.643 4.157 10 10 KICE COc1ccc([C@H](CNC(=O)CN2C(=O)C(=Cc3cccs3)SC2=S)N2CCCCC2)cc1 2314625185 KCQCMLZNASLRPO-FQEVSTJZSA-N 501.699 4.301 10 10 KICE CCCCNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(c2c(C)n(C)n(-c3ccccc3)c2=O)C1=O 100885991 SINBLHFIDHXHFT-CAPFRKAQSA-N 546.678 4.110 10 10 KICE Cc1ccsc1CN(C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S)[C@@H]1CCS(=O)(=O)C1 101266739 SZOLFGXGTPAOKL-UWCCDQBKSA-N 540.779 4.315 10 10 KICE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1C 102835739 PXOBGOCMECCKEY-CCULFSDZSA-N 525.677 4.245 10 10 KICE CN(C)c1ccc(/C=c2/s/c(=C/S(=O)(=O)c3ccc(Cl)cc3)n(CC(=O)c3ccc(Cl)cc3)c2=O)cc1 102909284 IYXNTHVMGABSJI-VUFZMPSASA-N 573.523 4.206 10 10 KICE Cc1c(/C=C2\SC(=S)N(C3CCCC3)C2=O)c(N2CCN(c3ccc(F)cc3)CC2)n(C)c(=O)c1C#N 110520415 KILSYVNIUSTFAD-HAHDFKILSA-N 537.686 4.175 10 10 KICE Cc1cc(O)c2cc3c(c(O)c2c1)C(=O)c1ccc([C@@H]2C[C@H](O[C@@H]4CC[C@H](O[C@@H]5C[C@H](O[C@@H]6CC[C@H](O)[C@H](C)O6)[C@H](O)[C@H](C)O5)[C@H](C)O4)[C@H](O)[C@@H](C)O2)c(O)c1C3=O 255983749 KQEPMSUORBBRDK-ISQPNSOASA-N 808.874 4.314 10 10 KICE CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C/c3cc(I)c(O)c(I)c3)C2=O)c1 1084113990 PIUOPGDSKUVSGH-QPEQYQDCSA-N 648.191 4.065 10 10 KICE Cc1ccc2nc(N3CCC[C@@H](C)C3)c(/C=C3\SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(=O)n2c1 1772721406 QBTBWDAOEKADHC-OLIBUNOHSA-N 534.663 4.369 10 10 KICE CCCOc1ccccc1C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862055743 NLULNSRHGLFMBJ-MHZLTWQESA-N 519.617 4.313 10 10 KICE Cc1ccc(C)c(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)NCC(C)C)[C@H]3c2ccc(O)c(O)c2)c1 1864015320 ONJRZQIIXBGLOQ-FQEVSTJZSA-N 530.547 4.445 10 10 KICE Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C)C1)=C(N)O2 1865027462 YOHTYXVTWMRRRC-FATZIPQQSA-N 526.996 4.397 10 10 KICE C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C3SC(=S)N(C)C3=O)c2)C[C@@H](C)O1 2296846390 HWPPJWYZIJNTIA-HDICACEKSA-N 554.719 4.168 10 10 KICE Cc1ccc2nc(N3CCC(C)CC3)c(C=C3SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(=O)n2c1 2314399695 BWNAOSWCLBAJED-UHFFFAOYSA-N 586.743 4.443 10 10 KICE CCCC[C@H](CC)CN1C(=O)C(=Cc2c(N3CCC(C(N)=O)CC3)nc3c(C)cccn3c2=O)SC1=S 2314401450 YTJGZRMMCIIVEV-SFHVURJKSA-N 541.743 4.122 10 10 KICE COc1ccc(C=C2SC(=S)N([C@H]3CC(=O)N(c4cccc(C(F)(F)F)c4)C3=O)C2=O)cc1OC 2314832351 FSQPUNRZZSTQTF-HNNXBMFYSA-N 522.526 4.256 10 10 KICE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C4CCCC4)C3=O)c(NC[C@@H](O)c3ccccc3)nc12 102688360 YQOYVYGMTBSWRA-DOAWATSRSA-N 506.653 4.292 10 10 KICE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCCC1)=C(N)O2 1865029915 YMGBGSIUUZKDEJ-XMMPIXPASA-N 518.614 4.342 10 10 KICE C[C@@H]1CCCN(C(=O)C2=C(N)Oc3c(c(-c4ccccc4)nn3-c3ccccn3)[C@H]2c2ccc(O)c(O)c2)C1 1865031286 DNOIPPHPMNLVMP-HOYKHHGWSA-N 523.593 4.299 10 10 KICE CC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867620828 GMRZKIIVCZSKQO-IOWSJCHKSA-N 595.744 4.401 10 10 KICE CCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2C[C@H](C)N(CCCOC)[C@H](C)C2)n1 1868274331 BMSPHFQXVHRSNS-BGYRXZFFSA-N 513.642 4.494 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)c3cc(C)n(-c4ccccc4)n3)CC2)cc1 1868757857 DZGIGAOEVISYSG-LJAQVGFWSA-N 541.627 4.018 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCc5ccc([N+](=O)[O-])cc54)nc(-c4cccnc4)n3)CC2)cc1 1869361752 ODQVTXFPBZMSJT-UHFFFAOYSA-N 509.570 4.476 10 10 KICE CN(Cc1ccccc1)C(=O)COc1cn(CCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870941554 GPQXDPXZEUDBRQ-UHFFFAOYSA-N 512.610 4.234 10 10 KICE O=C1NN(c2ccccc2)C(=O)C1=Cc1cc(Br)ccc1OCCOCCOc1ccccc1 2297306620 FVONUUUPEAIIHA-UHFFFAOYSA-N 523.383 4.385 10 10 KICE C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)C(=Cc2cccc(OCc3ccccc3)c2)SC1=S 2314836624 HRQRXXXNPNPRMJ-KRWDZBQOSA-N 553.687 4.141 10 10 KICE COc1ccc(N2CCN(c3ccnc(SCC(=O)Nc4cc(Cl)ccc4OC)n3)CC2)cc1 33309943 DQIJVECRTSIXQW-UHFFFAOYSA-N 500.024 4.205 10 10 KICE CN(C)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCCCC3)=NC2=O)c1 35447492 GIDNXVBAFHWMCP-QJOMJCCJSA-N 521.668 4.246 10 10 KICE COC(=O)CCCN1C(=O)/C(=C\c2cc(Br)c(OCC(=O)N3CCCCC3)c(OC)c2)SC1=S 101742289 AOVOUQSJGHDMGM-QGOAFFKASA-N 571.515 4.003 10 10 KICE NC1=NC(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCCCC3)c2)S1 213225670 CJLYADCWSVVGRE-CJLVFECKSA-N 507.641 4.033 10 10 KICE CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(N(CC)CC)cc3O)c(=O)n2[C@H]1c1ccccc1 1083946840 RPQZKMKYIXDIME-LJAQVGFWSA-N 553.684 4.487 10 10 KICE CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H]1CCCC[C@@H]1C)=C(N)O2 1864018219 GCQXBNFKBJJQAR-SWDVRCMSSA-N 520.605 4.434 10 10 KICE CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(Cc3ccccc3C)CC1)=C(N)O2 1865030424 JPBQLNOROMZWBA-AREMUKBSSA-N 545.684 4.004 10 10 KICE Cc1nc2ccc(N3C[C@H](C(=O)NC[C@H](c4ccc(N(C)C)cc4)N4CCCCC4)CC3=O)cc2s1 1866258745 HQSIYNJDSRGUAT-PXDATVDWSA-N 505.688 4.367 10 10 KICE C[C@@H](NC(=O)CCc1csc(-c2ccncc2)n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867053047 KIASGIJHIRJVSA-MRXNPFEDSA-N 510.575 4.057 10 10 KICE CSCC[C@@H](NC(=O)C[C@@H]1CC(=O)c2ccccc21)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867242011 SPOJRMZDPXNLEZ-BXKMTCNYSA-N 526.614 4.399 10 10 KICE CC(=O)Oc1ccc(C[C@H](NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867789817 RVXCTSQCBOHBRF-SHUZPENHSA-N 686.810 4.107 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)c3nc(CC(C)C)n4ccccc34)CC2)cc1 1868780696 SWGHYIXVGKFMFD-MHZLTWQESA-N 539.680 4.231 10 10 KICE CCCCCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(CCCCCC(=O)O)C1=O 2314401479 ZYARDGMNJLWDGW-UHFFFAOYSA-N 502.662 4.451 10 10 KICE CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccc(Cl)cc3Cl)C2=O)ccc1OCC(=O)O 2314932471 MTOPSHMDPWUQFT-UHFFFAOYSA-N 527.407 4.402 10 10 KICE C/C(=C1/C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F)N1CCN(Cc2ccc3c(c2)OCO3)CC1 1218428 CVEAVQSEDWPKQN-QNGOZBTKSA-N 529.544 4.382 10 10 KICE CCCCNC(=O)c1c(/N=[N+](\O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C(=O)NCCCC)cc([N+](=O)[O-])cc1[N+](=O)[O-] 225386429 MYPXJLKENPKSAX-UHFFFAOYSA-O 577.487 4.196 10 10 KICE COc1ccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3-c3ccc(Cl)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1 1864007184 HIPXWHLBWHFCRZ-DEOSSOPVSA-N 532.984 4.265 10 10 KICE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC(C)C)=C(N)O2 1864013251 UDFRKQPHRCSBKL-OAQYLSRUSA-N 514.985 4.307 10 10 KICE CCCC[C@H](NC(=O)CCc1ncc2ccccn12)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866895733 ZKQYRLQFVDMHDE-DEOSSOPVSA-N 508.578 4.356 10 10 KICE COc1ccc(N2CCN(CCC(=O)c3cccc(OC(=O)C4(c5ccc6c(c5)OCO6)CC4)c3)CC2)cc1 1874738408 NHQZHHGRHFYFRI-UHFFFAOYSA-N 528.605 4.456 10 10 KICE COc1ccc(C=C2SC(=S)N(CCC(=O)N(Cc3ccc(Cl)cc3)[C@H]3CCS(=O)(=O)C3)C2=O)cc1 2296851834 XQJHKYRIELVDEX-FQEVSTJZSA-N 565.138 4.156 10 10 KICE Cc1cccn2c(=O)c(C=C3SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(N3CCC(C)CC3)nc12 2314399625 ADEIUSCLEKGGAE-UHFFFAOYSA-N 586.743 4.443 10 10 KICE C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C3SC(=S)N(CC(=O)O)C3=O)c2)C1 2314476392 NSBNYFOILZHHST-OALUTQOASA-N 596.756 4.492 10 10 KICE COc1cc(C=C2C(=O)N(Cc3cc(C)ccc3C)N=C2C(F)(F)F)ccc1OCCN1CCOCC1 2332105294 RQYNSIVQUZZBHK-UHFFFAOYSA-N 517.548 4.367 10 10 KICE CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(N(C)C)cc4)N[C@@](CC4CCCCC4)(C(=O)O)[C@@H]3C2=O)cc1 33897393 UOMNMYNMPFMTNY-VWDBNSKXSA-N 517.626 4.199 10 10 KICE CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OC)c(Br)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 164103555 PBTNQMODYIBBRI-WVWKGNOCSA-N 635.378 4.398 10 10 KICE Cc1cc(N2C(=O)NC(=O)/C(=C/c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)C2=O)ccc1Br 1084105946 XVLBNQYSSMSBIX-ATVHPVEESA-N 513.348 4.322 10 10 KICE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4CC(C)C)[C@H]3c3sccc3C)CC2)cc1 1865335940 IKRCPJKWOAQRJG-HSZRJFAPSA-N 521.687 4.269 10 10 KICE COc1ccc(C2=NN(Cc3ccccc3)C(=O)/C2=C/c2ccc(OCCN3CCOCC3)c(OC)c2)cc1 1865665086 AOMCEHOCPZBAER-NHFJDJAPSA-N 527.621 4.245 10 10 KICE CCOc1cc(N2CCOCC2)c(OCC)c2c(=O)c(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)c[nH]c12 1866448035 FCOXPCDRKQVCGS-HHHXNRCGSA-N 591.753 4.185 10 10 KICE CSCC[C@@H](NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867848435 JYEDIQLBEASIAT-BVAGGSTKSA-N 586.715 4.072 10 10 KICE Cc1nnc(N2CCN(c3cc(Nc4cccc5c4C(=O)c4ccccc4C5=O)nc(C(C)(C)C)n3)CC2)n1C 1868341231 QSNFMCRKNSZARQ-UHFFFAOYSA-N 536.640 4.057 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccncc3)c3ccccc3)CC2)cc1 1868668827 HBVKLRSNTDTWHJ-ACHIHNKUSA-N 548.687 4.493 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)c3cc(C)n(-c4cccc(C)c4)n3)CC2)cc1 1868769234 WMBQSHGNLZODSD-SSEXGKCCSA-N 537.664 4.188 10 10 KICE COCCCN1[C@H](C)CN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(Cc3ccccc3)n2)C[C@H]1C 1869074657 RMGYSGDAUGVNJK-CLJLJLNGSA-N 544.744 4.338 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCN(CC(C)(C)C)CC4)nc(-c4cccnc4)n3)CC2)cc1 1869363518 KSARNJZCNNQLIP-UHFFFAOYSA-N 501.679 4.042 10 10 KICE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N(Cc1ccccc1)C1CN(C(=O)OC(C)(C)C)C1 2080870267 YFHBAILASOTOTA-QFIPXVFZSA-N 541.645 4.182 10 10 KICE COc1ccccc1OCCOc1ccc(C=C2C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)cc1OC 2295914095 QGZQTDDHPXMPHD-UHFFFAOYSA-N 520.489 4.343 10 10 KICE CCOCCCN1C(=O)C(=Cc2c(N3C[C@@H](C)C[C@H](C)C3)nc3ccc(C)cn3c2=O)SC1=S 2296541883 CRJICTMTYYSERK-ROUUACIJSA-N 500.690 4.113 10 10 KICE CCOC(=O)COc1c(Br)cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1I 2313559819 VOAYWKDFOFDUAY-UHFFFAOYSA-N 678.071 4.425 10 10 KICE Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)N(Cc3ccc(C)o3)[C@H]3CCS(=O)(=O)C3)C2=O)cc1 101267004 AQBDBGYWGUMEFX-ALFKQNEGSA-N 532.709 4.094 10 10 KICE COc1cc(/C=C2/C(=N)N3C(SC)=NSC3=NC2=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 101393462 USMKISHZAVQGEB-UYAJQHSGSA-N 537.044 4.364 10 10 KICE CCOc1cc(/C=C2/SC(=S)N([C@@H](C(=O)OC)c3ccccc3)C2=O)ccc1OCC(=O)N(CC)CC 101737754 FPUKJLQASXTUGA-GOOXQAOHSA-N 542.679 4.448 10 10 KICE COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C/c1cc2c(cc1Br)OCO2 103516420 DWUAYLPAXUEWNN-LICLKQGHSA-N 530.371 4.110 10 10 KICE Nc1cc(OCCc2ccccc2)c(N)c2c1C(=O)c1c(N)cc(OCCc3ccccc3)c(N)c1C2=O 206678653 SXIOHSNECIFXNY-UHFFFAOYSA-N 508.578 4.034 10 10 KICE CCc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@](C(=O)O)(c2ccccc2)N[C@H]3c2cc(Br)ccc2O)cc1 252012395 SWSBHDDBZPQGLN-NBCVKUGOSA-N 535.394 4.147 10 10 KICE Cc1ccc2nc(N3C[C@H](C)O[C@@H](C)C3)c(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)c(=O)n2c1 1772719546 KYODFNRUYBVFLI-KDDDPWNHSA-N 520.680 4.060 10 10 KICE CC[C@](C)(NC(=O)/C=C/c1ccc(Br)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861951133 TVLMXHZVXSEELN-GEJZUGHGSA-N 500.437 4.105 10 10 KICE Cc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C(=O)NC[C@@H]2CCCO2)[C@H]3c2ccc(O)c(O)c2)cc1 1864014494 WGEPOBZOUILART-DHLKQENFSA-N 538.604 4.249 10 10 KICE CCCCOC(=O)c1ccc(CNC(=O)C2=C(N)Oc3c(c(CCC)nn3CC)[C@@H]2c2ccc(O)c(O)c2)cc1 1864014550 XYYFVESEMAHTHD-DEOSSOPVSA-N 548.640 4.235 10 10 KICE CCCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H]1CO)=C(N)O2 1865030546 LVBXTZUHNXDAFA-FNZWTVRRSA-N 540.620 4.067 10 10 KICE CCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCCC1)=C(N)O2 1865035135 MGKOWYPEUWEZFV-QHCPKHFHSA-N 506.578 4.141 10 10 KICE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(-c5ccccc5)nn4C)[C@H]3c3ccccc3C)CC2)cc1 1865660451 RHUIOLDRFNXOTA-AREMUKBSSA-N 535.648 4.448 10 10 KICE CN(C)c1ccc([C@H](NC(=O)CN2C(=O)c3c(I)c(I)c(I)c(I)c3C2=O)c2nccn2C)cc1 1865895483 VFKSEKLKTCEMDQ-FQEVSTJZSA-N 921.053 4.406 10 10 KICE Cc1ccc(S(=O)(=O)Oc2cccc(C=C3C(=N)N4N=C(COc5ccccc5)SC4=NC3=O)c2)cc1 2293692834 IKUDHYXWEUEPDJ-UHFFFAOYSA-N 532.603 4.461 10 10 KICE CCc1nnc(NS(=O)(=O)c2ccc(NC=C3C(=O)N(c4cccc(Cl)c4)N=C3C)cc2)s1 2297506748 SDVFVRHYJNADMV-UHFFFAOYSA-N 503.009 4.273 10 10 KICE COc1ccc(N2CCN(CCCNC(=O)CN3C(=O)/C(=C/c4cccc(Cl)c4)Oc4ccccc43)CC2)cc1 105341165 RIYPMYLLTAIATR-ANYBSYGZSA-N 561.082 4.444 10 10 KICE O=C(CN1C(=O)/C(=C\c2ccccc2)SC1=S)Nc1sc2c(c1C(=O)NCc1cccnc1)CCC2 207822165 ZUFXPUMBMUVWEX-UDWIEESQSA-N 534.688 4.402 10 10 KICE CCC[C@@H](NC(=O)CNC(=O)c1ccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1)C(=O)O 1081156875 PQORJUKFDNPKHW-HDAJJNEKSA-N 565.595 4.211 10 10 KICE CCCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2-c2ccc(OC)cc2)[C@@H]1c1ccc(O)c(O)c1 1864009751 CVKUBEKCMKRFLR-QHCPKHFHSA-N 506.603 4.246 10 10 KICE CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C)C1)=C(N)O2 1865030872 SZVXROFZZKVSOK-OSPHWJPCSA-N 520.605 4.387 10 10 KICE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4CC(C)C)[C@@H]3c3ccccc3F)CC2)cc1 1865066537 UYQRTZQUXOJJHC-VWLOTQADSA-N 519.621 4.039 10 10 KICE CCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1ccccc1OC(C)C 1865456393 DDBMFOYWXPFIPU-SANMLTNESA-N 531.657 4.051 10 10 KICE C[C@@H](NC(=O)Cc1csc(COc2ccccc2)n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866585081 YKONDABWEPLOPI-QGZVFWFLSA-N 525.586 4.183 10 10 KICE CC(=O)Oc1ccc(C(=O)N[C@H](C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c2ccccc2)cc1 1867718372 FBECMEMPXJQXEG-KYJUHHDHSA-N 542.680 4.492 10 10 KICE CC[C@@H](NC(=O)c1ccc(-n2cccc2)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867762813 MMTSCNYYJRMVBC-IZLXSDGUSA-N 501.675 4.395 10 10 KICE COCCCN1[C@@H](C)CN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(Cc3ccccc3)n2)C[C@@H]1C 1869074658 RMGYSGDAUGVNJK-UIOOFZCWSA-N 544.744 4.338 10 10 KICE COCCCN1[C@@H](C)CN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(-c3ccccc3)n2)C[C@H]1C 1869203259 BGCWZRNNOMCBOU-PLQXJYEYSA-N 530.717 4.414 10 10 KICE CCN(CC)CCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccc(C(=O)OC)cc2)C1=O 1873167766 WRWOYNPXNCLNFV-UHFFFAOYSA-N 542.680 4.482 10 10 KICE COc1cccc(N2C(=O)C(=Cc3ccc(OC)c(COc4ccc(NC(C)=O)cc4)c3)C(=O)NC2=S)c1 2295924391 VFPYPEPMGMLHQG-UHFFFAOYSA-N 531.590 4.073 10 10 KICE CC[C@@H](C)N1C(=O)C(=Cc2c(N3CCN(Cc4ccccc4)CC3)nc3ccc(C)cn3c2=O)SC1=S 2296721758 PKINDBXGYDXYSB-HXUWFJFHSA-N 533.723 4.325 10 10 KICE COc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc(C(=O)O)c(Cl)c4)c3C)C(=O)NC2=S)cc1 2297506506 XVEGVMKFFRWZMD-UHFFFAOYSA-N 509.971 4.286 10 10 KICE COc1ccc(N2CCN(CCCNc3nc4ccc(C(=O)c5ccccc5)cc4n4cnnc34)CC2)cc1 9561213 MYMPPAUURHXKCE-UHFFFAOYSA-N 521.625 4.141 10 10 KICE Cc1sc(NS(=O)(=O)c2ccc(Br)s2)nc1-c1ccc2c(c1)N(C)C(=O)CO2 11858022 AOSUZGGCEQXBEK-UHFFFAOYSA-N 500.421 4.099 10 10 KICE C[C@H](c1ccccc1)N1C(=O)/C(=C\c2c(N3CCC4(CC3)OCCO4)nc3ccccn3c2=O)SC1=S 100920177 VDIMNIHUYUDAQH-DTBMRADHSA-N 534.663 4.000 10 10 KICE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(CC(=O)OC)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1OC 526625046 YRWVVZPRICYEOW-AREMUKBSSA-N 505.523 4.278 10 10 KICE O=C1c2ccccc2C(=O)c2c(NC(=O)C3CCN(C(=O)COc4ccc(Cl)cc4)CC3)cccc21 1860589499 LGIYXZLMWZTGCT-UHFFFAOYSA-N 502.954 4.372 10 10 KICE CC(C)CNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)cc2)[C@H]1c1ccc(O)c(O)c1 1864014938 GOXSEHBKTOHYCZ-GOSISDBHSA-N 536.938 4.482 10 10 KICE CC[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867767110 DNSJDMOYZJLQCV-VWNXMTODSA-N 516.042 4.166 10 10 KICE CCC[C@@H](NC(=O)Cc1nc(-c2ccccc2Cl)oc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868646658 UZGMDPZIMJPAPG-XMMPIXPASA-N 525.049 4.488 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)[C@H](C)Cc3ccc(F)cc3)CC2)cc1 1868767243 ULEUTVMCPMLNLU-LYZGTLIUSA-N 521.608 4.228 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)Cc4ccc(F)cc4)n(-c4ccc(C)cc4)n3)CC2)cc1 1869970070 MYDHSWYBFNHMIM-UHFFFAOYSA-N 500.578 4.231 10 10 KICE COc1ccc(N2CCN(S(=O)(=O)c3ccc(OCCOc4ccc(Cl)cc4)cc3)CC2)cc1 1872721033 HWOXWOXCKZJOFJ-UHFFFAOYSA-N 503.020 4.317 10 10 KICE COc1ccc(N2CCN(C(=O)c3cc4c(NCCc5c[nH]c6ccccc56)ncnc4n3C)CC2)cc1 1875195698 QDXCAFMIACSDAT-UHFFFAOYSA-N 509.614 4.075 10 10 KICE COc1ccc(C=C2SC(=O)N(CCC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2=S)cc1 2297476650 KNCBQUXCLHBOAL-UHFFFAOYSA-N 508.625 4.359 10 10 KICE C[C@@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C3SC(=S)N([C@H]4CCS(=O)(=O)C4)C3=O)c2)C1 2314479217 DZLLBKLAWWBQKP-YKSBVNFPSA-N 642.850 4.348 10 10 KICE COc1ccc(CCN2C(=O)/C(=C\c3c(NCC(C)C)nc4ccccn4c3=O)SC2=S)cc1OC 35303879 HQYLEMRHESPSHB-KGENOOAVSA-N 524.668 4.224 10 10 KICE O=C(Nc1ccc(O)cc1C(=O)O)c1ccc2c(c1)C(=O)N(c1cccc(C(=O)c3ccccc3)c1)C2=O 59061070 HCYVCXMTTPJIBK-UHFFFAOYSA-N 506.470 4.374 10 10 KICE Cc1ccc2nc(NCc3ccco3)c(/C=C3\SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(=O)n2c1 110078112 IGTKRCDFAMQHGE-FBHDLOMBSA-N 532.603 4.338 10 10 KICE Cc1c(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)c(NCCc2ccccc2)n(C)c(=O)c1C#N 143266315 SOIPQRMQTDEOLT-CFRMEGHHSA-N 544.658 4.350 10 10 KICE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)NCc2ccccc2)[C@H]3c2ccc(O)c(O)c2)c1 1864010755 BMGJHWZBMBBQPA-SANMLTNESA-N 510.594 4.279 10 10 KICE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NCc1cccs1)[C@H]2c1ccc(O)c(O)c1 1864017282 JEXQETNKBGNZEA-NRFANRHFSA-N 518.595 4.062 10 10 KICE CCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccn1)=C(N)O2 1864020909 HWIZOVOGXZWUJN-SANMLTNESA-N 533.588 4.405 10 10 KICE CCCc1nc(N2CCN(CCc3cccc(OC)c3)CC2)cc(N2CCN(c3ccc(OC)cc3)CC2)n1 1869216154 JMIMPVWPRUCHCP-UHFFFAOYSA-N 530.717 4.138 10 10 KICE COc1ccc(N2CCN(c3nc(=NCc4ccc(F)cc4)[nH]c(=Nc4cccc(C)c4C)[nH]3)CC2)cc1 1871592023 XBTJVAJCTMTQRC-UHFFFAOYSA-N 513.621 4.162 10 10 KICE CCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NC[C@H](O)c3ccc(Cl)cc3)ncnc21 1875202963 CURYODRDQPBNCJ-VWLOTQADSA-N 535.048 4.221 10 10 KICE Cc1cc(C=C2C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 2313560986 OJCRULXTJJEUJV-UHFFFAOYSA-N 509.316 4.431 10 10 KICE CCOc1cc(C=C2SC(=S)N(CCCC(=O)OC)C2=O)cc(Br)c1OCC(=O)N1CCCCC1 2314760031 IEFUSGGKUWMWSV-UHFFFAOYSA-N 585.542 4.394 10 10 KICE COc1ccc(CCN2C(=O)/C(=C\c3c(NC[C@@H]4CCCO4)nc4ccc(C)cn4c3=O)SC2=S)cc1OC 100885020 CXWHQVFSJQEULM-WQZUMXOESA-N 566.705 4.055 10 10 KICE Cc1ccsc1CN(C(=O)CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)[C@H]1CCS(=O)(=O)C1 101266765 RUABSXDQMIDXAN-IZILLXMLSA-N 538.713 4.003 10 10 KICE COc1cc(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)ccc1OCC(=O)Nc1ccccc1 102577428 OTVHWNSCSGQYHV-MOSHPQCFSA-N 525.633 4.320 10 10 KICE [N-]=[N+]=N[C@@H]1CCCN(C(=O)c2cc(I)cc(I)c2I)C1 701282921 YJXBBMJODIYMPB-MRVPVSSYSA-N 607.959 4.415 10 10 KICE CCCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC(c1ccccc1)c1ccccc1)=C(N)O2 1864010183 JNLNHGQMOSMZEA-XMMPIXPASA-N 510.594 4.384 10 10 KICE CN(C)c1ccc(C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867891038 SLEGNJINBRBSFM-JSOSNVBQSA-N 557.739 4.209 10 10 KICE COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N(CCN2CCN(C)CC2)c2ccccc2Cl)n1 1869122057 DYFBXDBCFLXIDJ-UHFFFAOYSA-N 580.177 4.040 10 10 KICE COc1ccccc1-n1c(C)cc(C=C2C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)c1C 2297468018 GYQMWRASBQJKAM-UHFFFAOYSA-N 504.616 4.125 10 10 KICE NS(=O)(=O)c1ccc(NC(=O)CCCCCN2C(=O)C(=Cc3cccc(Br)c3)SC2=S)cc1 2314831792 SBEPQEGYNDSHEV-UHFFFAOYSA-N 568.540 4.497 10 10 KICE COc1ccc(CN2C(=O)/C(=C/c3c(C)c(C#N)c(=O)n(C)c3N3C[C@H](C)C[C@@H](C)C3)SC2=S)cc1 39989588 LMTBQGYDSPCQQU-MGIQNHSNSA-N 522.696 4.458 10 10 KICE CCCn1c(N2CCCC2)c(/C=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c(C)c(C#N)c1=O 110524192 BIYYUAWWGTYDEM-KQWNVCNZSA-N 574.732 4.242 10 10 KICE COc1ccc(N2CCN3c4ccc(C(F)(F)F)cc4C[C@H](C(=O)N4C[C@H](C)O[C@@H](C)C4)[C@@H]3C2)cc1 248153760 YDAJVNQZJOUXIT-DWYHVSQESA-N 503.565 4.217 10 10 KICE CCCC[C@@H](NC(=O)C(=O)Nc1sc(CC)c(-c2ccc(Br)cc2)c1C(=O)OC)C(=O)O 1860764047 XKEPPOSYQGBMDW-CQSZACIVSA-N 525.421 4.225 10 10 KICE CC(C)CNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1864015233 MXIZDUWXTYTSEI-SFHVURJKSA-N 536.938 4.482 10 10 KICE C[C@H](NC(=O)C[C@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866719173 ARBNCWPSNRDJLH-SBUREZEXSA-N 524.573 4.260 10 10 KICE CCC[C@H](NC(=O)c1ccc(N2CCN(C(=O)C3CC3)CC2)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866894982 ZKWHAZOBMABMOQ-NDEPHWFRSA-N 578.669 4.058 10 10 KICE CCC[C@H](NC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867202876 AORBIMUCUCJAPJ-QHCPKHFHSA-N 523.589 4.253 10 10 KICE CCCC[C@H](NC(=O)c1c(OC)cccc1OC)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867365773 WIGZUXZQPXVAGY-DQEYMECFSA-N 524.706 4.402 10 10 KICE CCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccn1)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867477065 IRFMXTVZBDLCBQ-IOWSJCHKSA-N 610.759 4.186 10 10 KICE CC[C@](C)(NC(=O)c1ccc2c(c1)C(=O)N([C@H](Cc1ccccc1)C(=O)O)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867633232 ZHMNOVDPTOILFQ-OFDCRXKZSA-N 667.807 4.286 10 10 KICE CCN(CC)CCCN=c1nc(Nc2ccc(C)c(C)c2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871526050 CLZZSFRMIHCDGM-UHFFFAOYSA-N 518.710 4.133 10 10 KICE CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccccc3C)C2=O)ccc1OCC(=O)N(CC)CC 2314769327 ZGJNSKWUOJGVIK-UHFFFAOYSA-N 527.668 4.187 10 10 KICE CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)ccc1OCCC(=O)O 2314935168 NAAZOOMBCUQQRE-UHFFFAOYSA-N 551.440 4.248 10 10 KICE CN(C)c1ccc([C@H]2CC(c3ccc(Br)cc3)=NN2C(=O)CN2C(=O)C(=O)c3ccccc32)cc1 100901459 RIWUGRYGEVOHIZ-XMMPIXPASA-N 531.410 4.422 10 10 KICE Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)Cc2ccccc2)o1 104620557 XVZGQVIUPUTPRP-KHCNQNERSA-N 535.563 4.355 10 10 KICE Cc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(OC(C)(C)C)cc1)=C(N)O2 1864009421 HAOGUHIGIQEBII-VWLOTQADSA-N 541.608 4.175 10 10 KICE CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(F)cc1)=C(N)O2 1864010203 JYXIWUNXHKZKPU-VWLOTQADSA-N 528.584 4.429 10 10 KICE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccs1)=C(N)O2 1864010926 BYKFDCIOTJRILJ-JOCHJYFZSA-N 523.014 4.377 10 10 KICE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)NC(C)C)=C(N)O3)cc1 1864017186 HPNCFXKUJTVASN-DEOSSOPVSA-N 544.583 4.377 10 10 KICE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1C)=C(N)O2 1865026745 RODQCSTWYAIHOB-NPMXOYFQSA-N 509.006 4.400 10 10 KICE Cc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)C1CCCCC1)=C(N)O2 1865026944 UFNQBZAIITXGSJ-DEOSSOPVSA-N 506.578 4.276 10 10 KICE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1C[C@@]3(C)C[C@H]1CC(C)(C)C3)[C@@H]2c1ccc(O)c(O)c1 1865033646 FMEWYZGYVPVHCE-DZSJAMLCSA-N 520.552 4.455 10 10 KICE CCCN(CCC)C(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2CC)[C@@H]1c1ccc(O)c(O)c1 1865034383 VOMNRMAELNKZAC-QFIPXVFZSA-N 506.603 4.333 10 10 KICE O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc2oc(O)nc2c1 1867136672 UWUJVSHMUSYWSL-DEOSSOPVSA-N 531.524 4.289 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(OC(C)=O)cc3)NC(=O)[C@H](C)Cc3ccc(F)cc3)CC2)cc1 1868763890 MWCCHZJJWCPQTC-YKGWIAGDSA-N 561.654 4.015 10 10 KICE CCCC[C@@H](NC(=O)[C@@H](c1ccc(OC)c(OC)c1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868863770 MTXLZCTVHKGRNM-LEAFIULHSA-N 525.690 4.476 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)[C@@H]4CCCO4)n(-c4ccc(Cl)c(Cl)c4)n3)CC2)cc1 1869969018 AOAGWQSNVWADMD-NRFANRHFSA-N 517.417 4.027 10 10 KICE COC(=O)c1c(C(F)(F)F)nn([C@H](c2ccc(OC)cc2O)C2CCC2)c1I 2079863086 QWYMGJUXFXFYDD-AWEZNQCLSA-N 510.250 4.397 10 10 KICE CC[C@@H](C)N1C(=O)C(=Cc2c(N3CCN(c4ccccc4)CC3)nc3ccccn3c2=O)SC1=S 2296307055 IUHITAKGNVFRGX-GOSISDBHSA-N 505.669 4.021 10 10 KICE O=C1NN(c2ccc(I)cc2)C(=O)C1=Cc1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 2296648978 RTMYWHSLMJGXTJ-UHFFFAOYSA-N 534.693 4.364 10 10 KICE CC[C@H](Oc1cccc(C=C2SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)c1)C(=O)O 2314930465 DPZMCVDMSRTUTP-INIZCTEOSA-N 521.414 4.237 10 10 KICE CCOc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)ccc1OCc1ccccc1F 104562890 JUQRALYRRLOGEG-IHRLJDSVSA-N 530.603 4.203 10 10 KICE CSCC[C@]1(C(=O)O)N[C@H](c2cccc(OC(F)(F)F)c2)[C@H]2C(=O)N(Cc3ccc4c(c3)C(=O)c3ccccc3C4=O)C(=O)[C@@H]21 150657326 VUWIJPFWNXXWQO-UMDYSXRGSA-N 638.620 4.383 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc(C(=O)OCC)cc4)c3C)c(=O)n2[C@H]1c1cc(OC)ccc1OC 254321278 ZVXBGGPLJBVXBJ-PMERELPUSA-N 629.735 4.400 10 10 KICE Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cn(C)c3ccccc13)=C(N)O2 1864008992 WOVOHCNENJCTNM-MUUNZHRXSA-N 549.631 4.196 10 10 KICE CCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccco1)=C(N)O2 1864019362 JMBQJWHESAXLKM-NRFANRHFSA-N 506.946 4.103 10 10 KICE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)N2CCc4ccccc4C2)[C@@H]3c2ccc(O)c(O)c2)cc1 1865026850 BOWNJOPZXRRNDD-HHHXNRCGSA-N 522.605 4.239 10 10 KICE CCN(CCc1ccncc1)C(=O)C1=C(N)Oc2c(c(C)nn2-c2cccc(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1865027027 DEICUNLEWOFTPB-VWLOTQADSA-N 546.027 4.426 10 10 KICE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@H](Cc3ccccc3)N3C(=O)c4ccccc4C3=O)cccc21 1866023900 FYAYZNNHQJELEV-VWLOTQADSA-N 500.510 4.308 10 10 KICE CC(=O)Oc1ccc(C[C@H](NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867847681 TVEDPYXABUIMNC-NYDCQLBNSA-N 660.728 4.487 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3cc(-c4cc(F)ccc4OC)n(C)n3)c3ccccc3)CC2)cc1 1868945878 VKENITASWAYSKI-LJAQVGFWSA-N 557.626 4.063 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)[C@@H](CC(C)C)c3cccc(Br)c3)CC2)cc1 1869001810 TUCVYJWGWDGILX-CYFREDJKSA-N 516.480 4.441 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCN(CCc5cccc(OC)c5)CC4)nc(-c4cccnc4)n3)CC2)cc1 1869360202 LROGQTZTTUPYKH-UHFFFAOYSA-N 565.722 4.247 10 10 KICE COc1ccc(N2CCN(c3nc(=NCc4ccccc4C)[nH]c(=Nc4ccc(C)c(F)c4)[nH]3)CC2)cc1 1871580083 MPVMVUSJIKDPDT-UHFFFAOYSA-N 513.621 4.162 10 10 KICE CCOC(=O)N1CCC(N2C(=O)C(NCCCOC(C)C)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)CC1 1873165720 RDZBHAJONSYRHP-UHFFFAOYSA-N 536.673 4.200 10 10 KICE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)ccc1OCCOc1ccccc1 2293520719 YOYAFQUCLFMODF-UHFFFAOYSA-N 502.523 4.218 10 10 KICE O=C(CCCN1C(=O)C(=C2SC(=S)N(CCCC(=O)Nc3ccccc3C(=O)O)C2=O)SC1=S)Nc1ccccc1C(=O)O 2297303511 BSKMIMJIBZAUHB-UHFFFAOYSA-N 672.788 4.153 10 10 KICE O=C(NN1C(=O)C(=Cc2ccc(OCC(=O)N3CCCCC3)cc2)SC1=S)c1ccc(Br)cc1 2314764753 LQVBMYANXCVDAE-UHFFFAOYSA-N 560.495 4.387 10 10 KICE COCCNC(=O)Cn1cc(/C=C2\C(=O)N(c3ccc(C)c(Cl)c3)C(=S)N=C2O)c2ccccc21 33932862 KFWIWFIIPNPCLU-ODLFYWEKSA-N 511.003 4.037 10 10 KICE CC[C@@H](C)c1ccccc1OCCOc1ccc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc1 101397473 HKKNEDYUCFEMDC-BTYRHFEPSA-N 526.640 4.279 10 10 KICE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1F 102837598 ZUSODIYMQVIMBK-PPRFWAEMSA-N 543.667 4.465 10 10 KICE O=C(O)COc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1Br 1084517117 DADJDEJNFAALKL-XGICHPGQSA-N 603.017 4.104 10 10 KICE Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(CCNC(=O)c3cc(Cl)cc(Cl)c3)cc2)cc1 1859007148 KJWRJVPRBDIHOP-UHFFFAOYSA-N 508.383 4.025 10 10 KICE CCCCOCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1 1864020044 VANAUVJCSHZNLB-RUZDIDTESA-N 534.657 4.231 10 10 KICE CCOC(=O)Oc1ccc(C(=O)N[C@@H](CC)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867299859 UTXQDNCACXWAPJ-UIOOFZCWSA-N 524.662 4.140 10 10 KICE CCCOC(=O)COc1cn(CCC2=CCCCC2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870332655 PCGYNQNYAYHIOQ-UHFFFAOYSA-N 523.674 4.402 10 10 KICE COc1ccc(N2CCN(Cc3cc(=O)c(OCC(=O)NC4CCCCC4)cn3CCC(C)C)CC2)cc1 1870493457 OUTFUQJVPJHBLC-UHFFFAOYSA-N 524.706 4.053 10 10 KICE CCCCN(C)C(=O)COc1cn(CCN(C)C)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870949868 WSFHQCOZWRBEFA-UHFFFAOYSA-N 505.663 4.403 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccc4c(c3)OCO4)C(=O)N(Cc3ccccn3)C2=O)cc1 1873168159 KZFBXZMSUZRXQE-UHFFFAOYSA-N 506.562 4.288 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(F)c(Cl)c3)C(=O)N(CCN3CCOCC3)C2=O)cc1 1873425995 QQMMUGZCFCRMJN-UHFFFAOYSA-N 523.008 4.411 10 10 KICE [N-]=[N+]=N[C@H]1CCC[C@@H]1NC(=O)c1cc(I)cc(I)c1I 2234170646 FZIXYQXEZPAEOX-UWVGGRQHSA-N 607.959 4.462 10 10 KICE Cc1cccn2c(=O)c(C=C3SC(=S)N(CCc4ccccc4)C3=O)c(N3C[C@H](C)O[C@@H](C)C3)nc12 2296698656 ACXMVWKPNPMNQX-OALUTQOASA-N 520.680 4.060 10 10 KICE O=C1C(=Cc2c(NCc3ccc4c(c3)OCO4)nc3ccccn3c2=O)SC(=S)N1Cc1ccccc1 2296724063 CIWFEGGCSIIRGL-UHFFFAOYSA-N 528.615 4.437 10 10 KICE Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(NC[C@H](O)c3ccccc3)nc12 2296849791 UPHAYWDQYDSTEP-NRFANRHFSA-N 572.668 4.279 10 10 KICE Cc1cccc(NC(=O)CN2C(=O)/C(=C3/SC(=S)N(CCCCCC(=O)O)C3=O)c3ccccc32)c1 33367140 VDMSZXYXQVXOPW-GHVJWSGMSA-N 523.636 4.197 10 10 KICE CCOC(=O)C1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N(Cc3ccc(F)cc3)C2=O)CC1 103117035 KVQAKFCOABQVNB-PXLXIMEGSA-N 566.680 4.323 10 10 KICE O=C(O)CCNC(=O)c1ccc(N=Nc2ccc(Oc3ccc(C(=O)NCCC(=O)O)cc3)c(C(=O)O)c2)cc1 1083069688 BXJNXRKWSCKIFA-UHFFFAOYSA-N 548.508 4.002 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC(=O)c4ccc(OC)cc4)cc3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 1084020828 LTTWGRCGFKVBBO-LJAQVGFWSA-N 597.693 4.092 10 10 KICE NC1=C(C(=O)NC2CC2)[C@@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(Cc3cccc(F)c3)c2O1 1864016829 YHGAHOCGVVTGOI-QHCPKHFHSA-N 512.541 4.122 10 10 KICE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)NC(C)C)=C(N)O3)cc1 1864021342 AZLKMAWASNPRAB-DEOSSOPVSA-N 526.593 4.237 10 10 KICE Cc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1C)=C(N)O2 1865027577 ZILREDFYYVVHFC-IQMFZBJNSA-N 509.006 4.400 10 10 KICE CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H]1CO)=C(N)O2 1865030549 LVBXTZUHNXDAFA-RXFWQSSRSA-N 540.620 4.067 10 10 KICE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCc3ccccc3C1)[C@@H]2c1ccc(O)c(O)c1 1865033493 ASFVNJPZCUUBQO-HXUWFJFHSA-N 528.531 4.249 10 10 KICE CC1CCN(C(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3Cc3ccccc3F)[C@H]2c2ccc(O)c(O)c2)CC1 1865033997 MWSOVRSFIRZBKR-HXUWFJFHSA-N 546.521 4.454 10 10 KICE CCCC[C@H](NC(=O)Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866906114 ZWYDRGBXZGOKTP-MHZLTWQESA-N 539.632 4.155 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)CCS(=O)(=O)c3ccc(C(C)(C)C)cc3)c3ccccc3)CC2)cc1 1868744573 MDKONLVKSAORJW-SSEXGKCCSA-N 577.747 4.363 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCC[C@@H]4C(=O)c4ccc(OC)c(C)c4)nc(C)n3)CC2)cc1 1869291433 JHMIIWNYUCPJPL-RUZDIDTESA-N 501.631 4.289 10 10 KICE COc1ccc(N2CCN(c3nc(=NC(=O)c4ccc(C)cc4)n(-c4ccccc4Cl)[nH]3)CC2)cc1 1869969012 AFXOIKWCVZMTPB-UHFFFAOYSA-N 503.006 4.239 10 10 KICE COc1ccc(N2CCN(CCC(=O)c3ccc(OC(=O)COc4ccccc4OC)cc3)CC2)cc1 1874742867 JGQDPHZNLRONNG-UHFFFAOYSA-N 504.583 4.083 10 10 KICE CCN(CC)c1nc2ccccn2c(=O)c1C=C1SC(=S)N(CCc2ccc(OC)c(OC)c2)C1=O 2296012222 JJDVWZKTSRRSQI-UHFFFAOYSA-N 524.668 4.002 10 10 KICE COc1ccc([C@@H](NC(=O)c2cc(OC)c(OC)c(OC)c2)c2cc([N+](=O)[O-])c3cccnc3c2O)cc1OC 2921352 XBNSOXTZDNXBOO-XMMPIXPASA-N 549.536 4.411 10 10 KICE COc1ccc(CN2C(=O)/C(=C/c3c(C)c(C#N)c(=O)n(C)c3N3CCC[C@@H](C)C3)SC2=S)cc1 39989556 IXZBOHYDGTUOGB-YSUUHWHMSA-N 508.669 4.212 10 10 KICE COc1ccc(OCc2nnc(C(=O)Nc3ccc(C(=O)NCc4ccc(N(C)C)cc4)cc3)s2)cc1OC 102420797 PHVMUMVMXMORCW-UHFFFAOYSA-N 547.637 4.383 10 10 KICE CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(Br)cc1OC 103859367 YZMXHUSGKHSYSE-ZSOIEALJSA-N 524.165 4.285 10 10 KICE O=C1/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCCCC3)c2)SC(=S)N1[C@H]1CCS(=O)(=O)C1 150658192 GSMZVLXHSILMSM-FXVMGJAWSA-N 642.850 4.492 10 10 KICE O=C(CCCN1C(=O)/C(=C\c2ccccc2OC(F)F)SC1=S)Nc1cc(C(=O)O)cc(C(=O)O)c1 210969031 AGOFZSAXOWOJIZ-GZTJUZNOSA-N 536.534 4.305 10 10 KICE CCC(=O)O[C@@H]1[C@H](n2ccc(O)nc2=O)O[C@](CO[P@]2(=O)OCC[C@H](c3cccc(Cl)c3)O2)(N=[N+]=[N-])[C@@H]1OC(=O)CC 1772502522 DOIJDQFWSCXUHP-ARDRPECBSA-N 627.931 4.084 10 10 KICE CCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2-c2ccc(Br)cc2)[C@@H]1c1ccc(O)c(O)c1 1864011428 UKVLBZZDAAGDFD-FQEVSTJZSA-N 527.419 4.219 10 10 KICE CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCc1ccncc1)[C@H]2c1ccc(O)c(O)c1 1864016833 YJKYRQIGOSYEFN-QHCPKHFHSA-N 511.582 4.023 10 10 KICE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NCc1cccc(C)c1)[C@H]2c1ccc(O)c(O)c1 1864017618 QBWPAOLHWZUYMS-DEOSSOPVSA-N 526.593 4.309 10 10 KICE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1C)=C(N)O2 1865029299 KBQCWNIAJXZKTD-XDHUDOTRSA-N 518.614 4.340 10 10 KICE COCCN1[C@H](C)CN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(-c3ccc(C)cc3)n2)C[C@H]1C 1869164135 AIZWITFYTMBFHB-JWQCQUIFSA-N 530.717 4.333 10 10 KICE COc1ccc(N2CCN(c3nc(=NCc4ccccc4)[nH]c(=Nc4cccc(Cl)c4)[nH]3)CC2)cc1 1871646655 NRFYULAKCMDUOX-UHFFFAOYSA-N 502.022 4.060 10 10 KICE Cc1cccc(C)c1OCCOc1ccc(C=C2C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)cc1 2297345988 UJXHQXLKPDYGNK-UHFFFAOYSA-N 526.640 4.161 10 10 KICE COc1ccc(N2CCN([C@@H](c3cccs3)[C@@H](C)NC(=O)Cc3ccc(OC)c(OC)c3)CC2)cc1 20289502 AEUJOHISSHASTJ-PIIWDFAUSA-N 509.672 4.385 10 10 KICE COc1ccc(/C=C2\SC(=S)N(CCCC(=O)N(Cc3ccc(N4CCCCC4)o3)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 101909653 XCXVVXFDRHPMCC-ZYGWBPEKSA-N 617.815 4.476 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@@H]1c1ccccc1 254493342 NWGRYSIRFIJAJY-AREMUKBSSA-N 542.617 4.114 10 10 KICE CC(=O)Nc1nc(-c2cccs2)c(CC(=O)N[C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)s1 1866631330 PKDCFLGGVHKKDI-CQSZACIVSA-N 558.641 4.291 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCC(c5nc(C)n(C)n5)CC4)nc(-c4cccc(OC)c4)n3)CC2)cc1 1869318959 HCYXBHWFRZAVMS-UHFFFAOYSA-N 554.699 4.308 10 10 KICE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccccc4F)cn3C[C@H]3CCCO3)CC2)cc1 1870346074 YSLLWGWKMWIQHM-AREMUKBSSA-N 507.606 4.076 10 10 KICE O=C(Nc1cc(Br)c(I)c(Br)c1)c1ccc(O)c(O)c1 2151778087 IXQRYWBZQGICLQ-UHFFFAOYSA-N 512.923 4.480 10 10 KICE COc1ccc(S(=O)(=O)N2C(=O)C(=C3SC(=S)N(Cc4ccccc4)C3=O)c3ccccc32)cc1 2296419122 VNUHUXDGFYUIDD-UHFFFAOYSA-N 522.629 4.202 10 10 KICE CC[C@@H](C)N1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2N2CCN(c3ccc(F)cc3)CC2)SC1=S 33812479 IDIWMVAOZRHDJH-LRSOKBAUSA-N 525.675 4.031 10 10 KICE Cc1ccsc1CN(C(=O)CCCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)[C@H]1CCS(=O)(=O)C1 207325572 JNFUJAQJAOEAMG-XAJRUKRBSA-N 552.740 4.393 10 10 KICE CC(=O)Oc1ccc(C[C@H](NC(=O)c2ccc3c(c2)C(=O)N([C@@H](CC(C)C)C(=O)O)C3=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867468784 OHYQUVIPQHNHGV-KVBYWJEESA-N 739.870 4.458 10 10 KICE Cc1c(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1867817171 KJHFKOJDAJXSGX-MFMCTBQISA-N 618.691 4.268 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)c3cc(-c4cccc(OC)c4)on3)CC2)cc1 1868959570 KBNGTBLWJAFEHU-NDEPHWFRSA-N 540.620 4.049 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCN[C@@H](c5cn(C)c6ccccc56)C4=O)nc(C(C)(C)C)n3)CC2)cc1 1869194656 BJQWTLUZZKDCAD-LJAQVGFWSA-N 553.711 4.279 10 10 KICE COc1ccc(N2CCN(c3nc(=NCCc4ccccc4)[nH]c(=Nc4cccc(Cl)c4)[nH]3)CC2)cc1 1871644800 COUSRPKJRSBCIU-UHFFFAOYSA-N 516.049 4.102 10 10 KICE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)NCc3ccc(O)cc3)n4CC(C)C)CC2)cc1 1873579499 MMKFPMWHKRKBMU-UHFFFAOYSA-N 514.630 4.058 10 10 KICE CCSC1=NSC2=NC(=O)C(=Cc3ccc(OCCOc4ccccc4OC)c(OC)c3)C(=N)N12 2297333689 BMQOTDZIMCUCDK-UHFFFAOYSA-N 512.613 4.491 10 10 KICE Cc1ccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(CC(=O)N5CCCC5)SC4=NC3=O)cc2)cc1 103234276 XSTVLBUPUKZZJI-WOIBEVDJSA-N 517.611 4.084 10 10 KICE COc1ccc(N2CCN(c3nc4ccccn4c(=O)c3/C=C3/SC(=S)N(CCc4ccc(OC)c(OC)c4)C3=O)CC2)cc1 157755781 RAHDQVDLRAZKHC-SGWCAAJKSA-N 643.791 4.491 10 10 KICE COc1ccc([C@@H](C)NC(=O)C2=C(N)Oc3c(c(C)nn3-c3ccc(C)cc3)[C@H]2c2ccc(O)c(O)c2)cc1 1864008733 QSNSGCWTTJJVRP-WGDIFIGCSA-N 526.593 4.481 10 10 KICE Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1c[nH]c3ccccc13)=C(N)O2 1864008901 UVQWEVWTJOSMPS-MHZLTWQESA-N 535.604 4.186 10 10 KICE CCCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2-c2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1 1864021743 GEBIILBMWDTZHW-XMMPIXPASA-N 526.593 4.488 10 10 KICE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1ccc(C)cc1)[C@H]2c1ccc(O)c(O)c1 1864023328 YDOPDBVRIOJDNJ-SFHVURJKSA-N 502.493 4.043 10 10 KICE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1C)=C(N)O2 1865026747 RODQCSTWYAIHOB-WNSKOXEYSA-N 509.006 4.400 10 10 KICE CCN(CC)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2F)[C@H]1c1ccc(O)c(O)c1 1865034526 YIDDGNCPHXNIKX-GOSISDBHSA-N 520.483 4.064 10 10 KICE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4C)[C@H]3c3ccc(Cl)cc3Cl)CC2)cc1 1865178250 LUVOGHXVSWIOIO-JOCHJYFZSA-N 528.440 4.087 10 10 KICE O=C(N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(-c2cccnc2)on1 1867164234 GYSBHZUKAHBGTG-VWLOTQADSA-N 558.550 4.197 10 10 KICE Cc1nnc(N2CCN(c3cc(Nc4cccc5c4C(=O)c4ccccc4C5=O)nc(Cc4ccccc4)n3)CC2)n1C 1868208947 OKOHUCHOUHZGEE-UHFFFAOYSA-N 570.657 4.350 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)n(C(C)(C)C)n3)CC2)cc1 1869970336 JDBFRAUTMLGEPL-UHFFFAOYSA-N 513.986 4.182 10 10 KICE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4cccc(F)c4)cn3Cc3ccncc3)CC2)cc1 1870614287 FNUXCTWFYIYKMX-UHFFFAOYSA-N 514.601 4.341 10 10 KICE Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccco4)C3=O)c(N3CCN(c4ccccc4)CC3)nc12 2296291920 BEPQQMSLAFKAKJ-UHFFFAOYSA-N 543.674 4.324 10 10 KICE Cc1ccc2nc(NCCc3ccccc3)c(C=C3SC(=S)N(C[C@H]4CCCO4)C3=O)c(=O)n2c1 2296697739 FWANLGLTOJMXSC-LJQANCHMSA-N 506.653 4.038 10 10 KICE Cc1cc(Br)ccc1N1C(=O)NC(=O)C(=CNc2c(C)nn(Cc3ccccc3)c2C)C1=O 2313547754 BBIQRLGNNUBISP-UHFFFAOYSA-N 508.376 4.198 10 10 KICE O=C1C(=Cc2cccs2)SC(=S)N1CCC(=O)N(Cc1c(F)cccc1Cl)[C@@H]1CCS(=O)(=O)C1 2314603324 HQHWHSRCILYEHD-CQSZACIVSA-N 559.131 4.348 10 10 KICE COc1cc(/C=C2\SC(=S)N(NC(=O)COc3cc(Cl)c(Cl)cc3Cl)C2=O)ccc1OCC(=O)O 100844424 SQNWOPGQBHHOBZ-ZWSORDCHSA-N 577.851 4.430 10 10 KICE COC(=O)c1ccccc1NC(=O)CSc1nc2ccsc2c(=O)n1CCCN1CCN(c2ccc(OC)cc2)CC1 102747950 PIEITPMFPFMPMM-UHFFFAOYSA-N 607.758 4.196 10 10 KICE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)NCc2cccc(C)c2)[C@@H]3c2ccc(O)c(O)c2)cc1 1864012194 UIMXWNOYJTVMQA-AREMUKBSSA-N 510.594 4.279 10 10 KICE Cc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCC1)=C(N)O2 1864012233 VBSYSSMCWUKISB-QHCPKHFHSA-N 509.006 4.448 10 10 KICE CC[C@@](C)(NC(=O)c1ccc2c(c1)C(=O)N(CC(C)C)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867424190 XXBWQHSKODYWIY-LHXZUMEBSA-N 575.754 4.247 10 10 KICE CN(C)c1ccc([C@H](CNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)c2ccc3c(c2)C(=O)N([C@@H](Cc2ccccc2)C(=O)O)C3=O)N2CCCCC2)cc1 1867627392 HSNYBDQYCBEUHI-BOALQFNTSA-N 731.850 4.435 10 10 KICE CSCC[C@H](NC(=O)c1ccc2cc[nH]c2c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867673343 TYBSBTXBVCDGDD-BDYUSTAISA-N 521.731 4.429 10 10 KICE COc1cccc(-c2nc(Nc3cccc4c3C(=O)c3ccccc3C4=O)cc(N3CCN(CC(C)=O)CC3)n2)c1 1868506057 PRNIEGUQYOOUIA-UHFFFAOYSA-N 547.615 4.382 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]3C[C@@H]3c3ccc(F)cc3)CC2)cc1 1868831185 HMVQXCOJWZNNBW-FCEKVYKBSA-N 501.602 4.014 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCN(C(=O)c5cc6ccccc6[nH]5)CC4)nc(-c4cccnc4)n3)CC2)cc1 1869368579 XUYQVDSSRCUCRP-UHFFFAOYSA-N 574.689 4.318 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccc(C(=O)OC(C)C)cc3)C(=O)N(CCc3cnc[nH]3)C2=O)cc1 1873165995 ZTKLYTUXZRZRRF-UHFFFAOYSA-N 551.647 4.495 10 10 KICE CCCN(CCC)c1nc2ccccn2c(=O)c1C=C1SC(=S)N(CCCCCC(=O)O)C1=O 2296103023 LKUVTHBBSWZFQS-UHFFFAOYSA-N 502.662 4.167 10 10 KICE O=C(CN1C(=O)C(=C2SC(=S)N(CCc3ccccc3)C2=O)c2ccccc21)NCc1ccccc1 2296715409 ZXHYIOCIOHWRJZ-UHFFFAOYSA-N 513.644 4.164 10 10 KICE COc1ccc(C(=O)NN2C(=O)C(=Cc3ccc(OCC(=O)Nc4ccccc4OC)cc3)SC2=S)cc1 2297560947 AIZAMBWPBSJXPL-UHFFFAOYSA-N 549.630 4.268 10 10 KICE Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1C=C1C(=O)NC(=O)N(c2ccc(Br)c(C)c2C)C1=O 2313548548 YBPGHVWBYRAZJX-UHFFFAOYSA-N 583.355 4.351 10 10 KICE Cc1cc(Br)c(N2C(=O)NC(=O)/C(=C/c3cccc(I)c3)C2=O)cc1C 1084077668 UWGGEFHZDTUHSG-ZROIWOOFSA-N 525.140 4.337 10 10 KICE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)NC2CCCCC2)[C@@H]3c2ccc(O)c(O)c2)c1 1864010748 BKWPQUHDOPAXJM-RUZDIDTESA-N 502.615 4.411 10 10 KICE CCC[C@H](NC(=O)[C@H]1CCCN1Cc1ccccc1F)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866919425 PTAQYIQLCAXHPI-IZZNHLLZSA-N 527.596 4.489 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)c3cccc(Br)c3)CC2)cc1 1869001813 TUCVYJWGWDGILX-YADARESESA-N 516.480 4.441 10 10 KICE CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCN(c3nnc(-c4ccc(Cl)cc4)o3)CC2)n1 1869132352 DJUKHKBRTWXFMU-UHFFFAOYSA-N 561.090 4.404 10 10 KICE COc1ccc(N2CCN(c3nc(=NCc4ccc(F)cc4)nc(Nc4ccc(F)cc4)[nH]3)CC2)cc1 1871517240 LGUHRXXCDIOTEL-UHFFFAOYSA-N 503.557 4.263 10 10 KICE COCCCN1C(=O)C(NCc2ccc(OC)c(OC)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873168928 QEGQYTXSKFVJAJ-UHFFFAOYSA-N 503.599 4.018 10 10 KICE COc1ccc(CN2C(=O)C(=Cc3c(NC[C@@H]4CCCO4)nc4c(C)cccn4c3=O)SC2=S)cc1 2296697702 BSYZJALUWAPZIM-IBGZPJMESA-N 522.652 4.004 10 10 KICE O=C(CN1C(=O)C(=C2SC(=S)N(Cc3ccccc3)C2=O)c2ccccc21)NCCc1ccccc1 2296714452 ZPZYOMWANSKFEG-UHFFFAOYSA-N 513.644 4.164 10 10 KICE Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccc(F)cc4)C3=O)c(N3C[C@@H](C)O[C@H](C)C3)nc12 2314400161 JMEFQFFUYRVHLZ-IAGOWNOFSA-N 524.643 4.157 10 10 KICE CCOC(=O)[C@H](c1ccccc1)N1C(=O)C(=C2C(=O)Nc3ccc(Br)cc32)SC1=S 2314767932 JBKNSTCUQWTKLQ-INIZCTEOSA-N 503.399 4.277 10 10 KICE CC(C)N1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCOCC3)c2)SC1=S 101013146 WOBOOLABHHKTTN-KQWNVCNZSA-N 554.719 4.170 10 10 KICE CN(C)c1ccc2c(c1)Oc1cc(N(C)C)ccc1C21OC(=O)c2cc(C(=O)NCCOCCOCCOCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)ccc21 1857791918 BWYKRFATNNMLLL-HZRHVEIDSA-N 831.005 4.008 10 10 KICE CC[C@@H](NC(=O)c1ccc2nc(-c3ccccc3F)[nH]c2c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862092059 BVSHKVOLOBJTLY-XMMPIXPASA-N 515.589 4.235 10 10 KICE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCc1ccc(OC)c(OC)c1)[C@H]2c1ccc(O)c(O)c1 1864016146 IORRUQLTBYHWGX-DEOSSOPVSA-N 542.592 4.009 10 10 KICE CCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)c1ccccc1)=C(N)O2 1864019618 NJWXKFGAYCMEIX-CJAUYULYSA-N 510.594 4.477 10 10 KICE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCCc1ccccc1)[C@H]2c1ccc(O)c(O)c1 1864021522 CFPPCVMWOVXPSO-FQEVSTJZSA-N 530.547 4.413 10 10 KICE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1ccc(F)cc1)[C@H]2c1ccc(O)c(O)c1 1864022766 QPUBXMISFJACPQ-SFHVURJKSA-N 520.483 4.119 10 10 KICE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@H](C)C1)=C(N)O2 1865029869 WXKOHNZASGFUMW-VBURHUQHSA-N 539.032 4.220 10 10 KICE CCCCCOc1ccc([C@H]2C(C(=O)N3CCN(c4ccc(OC)cc4)CC3)=C(N)Oc3c2c(C)nn3C)cc1 1865249646 POUDOHIMOJITOT-HHHXNRCGSA-N 545.684 4.350 10 10 KICE CCOCCOC(=O)c1ccc(NC(=O)c2ccc(CN3CCN(c4ccc(OC)cc4)CC3)cc2)cc1 1872883889 BRDAACPZWAPJDU-UHFFFAOYSA-N 517.626 4.463 10 10 KICE CCCCCCNC(=O)c1cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc2n1CCCOC 1873587569 IEAZMRYKAVNLNT-UHFFFAOYSA-N 508.667 4.113 10 10 KICE CCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCCc3ccc(F)cc3)ncnc21 1875202229 LAQYNYLARVRFEI-UHFFFAOYSA-N 502.594 4.216 10 10 KICE Cc1cccn2c(=O)c(C=C3SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(N3CCC[C@@H](C)C3)nc12 2314414346 WUHZKXYLVFAQOB-GOSISDBHSA-N 586.743 4.443 10 10 KICE Cc1ccc(CN(C(=O)CCCN2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)[C@H]2CCS(=O)(=O)C2)o1 101267026 AHKWEYFEAAUKSB-IAFWPLRWSA-N 553.127 4.439 10 10 KICE CS(=O)(=O)c1ccc(-c2nsc(NC(=O)CCCN3C(=O)/C(=C/c4cccs4)SC3=S)n2)cc1 102271462 KUTMJMMYVUXNPV-VBKFSLOCSA-N 550.734 4.290 10 10 KICE CCCn1c(N2CCN(Cc3ccccc3)CC2)c(/C=C2\SC(=S)N(C(C)C)C2=O)c(C)c(C#N)c1=O 110525125 PBWWQQZMGCOVHW-JLPGSUDCSA-N 535.739 4.370 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Cl)cc3Cl)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 254519401 HVJDHYFGRAXMSQ-QFIPXVFZSA-N 516.450 4.171 10 10 KICE CCOc1ccc(N2C(=O)/C(=C\c3ccccc3OCc3ccc(C(=O)O)cc3)C(=O)NC2=S)cc1 1084303901 UXCFQUNHCVAEGP-JCMHNJIXSA-N 502.548 4.194 10 10 KICE COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)COC(=O)c1ccc(C(=O)NCCCNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1 1772621841 IDRUHYKUXURTDK-JEIKUJJPSA-N 936.846 4.025 10 10 KICE CC[C@@](C)(NC(=O)COc1ccc(OC)cc1C(C)(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862172657 WMNDBVBJMBCMCR-GDLZYMKVSA-N 511.663 4.014 10 10 KICE CC[C@H](NC(=O)CCCOc1cc(C)c(Cl)c(C)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862225620 QPODTKSLJROMRH-DEOSSOPVSA-N 502.055 4.368 10 10 KICE COCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)cc2)[C@@H]1c1ccc(O)c(O)c1 1864013979 KIBMZWVUMOVIET-QFIPXVFZSA-N 532.984 4.061 10 10 KICE CCCOc1ccccc1[C@@H]1C(C(=O)N2CCN(c3ccc(OC)cc3)CC2)=C(N)Oc2c1c(CCC)nn2C 1865446735 NNMCZNMXNSQENL-SANMLTNESA-N 545.684 4.213 10 10 KICE CCC[C@@H](NC(=O)Cc1ccc2nc(O)c(C(C)C)cc2c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868915714 TWOJCYRDPGRASC-HHHXNRCGSA-N 518.658 4.249 10 10 KICE COc1ccc(N2CCN(c3cc(N(C(C)=O)c4ccccc4N4CCNCC4)nc(C(C)(C)C)n3)CC2)cc1 1869187339 HOHOUGUGSILAMO-UHFFFAOYSA-N 543.716 4.204 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)Cc4ccc(Cl)cc4)n(-c4ccccc4)n3)CC2)cc1 1869970810 QPBKJCONQDCKGP-UHFFFAOYSA-N 503.006 4.437 10 10 KICE COC(=O)COc1ccc(C=C2C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1OC 2313556915 OLXVAXVLGRIQMD-UHFFFAOYSA-N 544.604 4.381 10 10 KICE C[C@H]1CN(C2=NC(=O)C(=Cc3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N4CCCC4)c3)S2)C[C@@H](C)O1 2314476164 JTUBGOSNSMSFRS-OYRHEFFESA-N 577.732 4.403 10 10 KICE O=S(=O)(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc(Br)ccc1O)N2 14461234 OACYRSBTFXIYPG-XQNUDUSMSA-N 505.434 4.439 10 10 KICE C[C@@H]1CN(C2=NC(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N4CCCC4)c3)S2)C[C@@H](C)O1 101013412 JTUBGOSNSMSFRS-AOUKMLRZSA-N 577.732 4.403 10 10 KICE CCOc1cccc(C2=C(O)C(=O)N(c3ccc(S(=O)(=O)NC(C)=O)cc3)[C@H]2c2ccc(N(C)C)cc2)c1 526140101 YKJCQXNFIXPMAW-SANMLTNESA-N 535.622 4.033 10 10 KICE COc1ccccc1OCC(=O)Nc1cc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)ccn1 1860511281 QHOCQPXFSUXDOY-UHFFFAOYSA-N 507.502 4.135 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](CSCc3ccccc3)NC(=O)c3ccccc3C)CC2)cc1 1861921657 HPHLTUXNDMELLF-MHZLTWQESA-N 503.668 4.384 10 10 KICE Cc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(F)cc1)=C(N)O2 1864008884 UNIKOXSEKWHYPO-HSZRJFAPSA-N 520.948 4.395 10 10 KICE Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCC(C)C)=C(N)O2 1864010659 AKWCGKYQAITLQH-NRFANRHFSA-N 517.413 4.425 10 10 KICE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N[C@@H]1CCCC[C@H]1C)[C@H]2c1ccc(O)c(O)c1 1864022589 PNBNLYJYYPPPMI-SIIHOXLZSA-N 508.541 4.359 10 10 KICE CN(C)c1ccc([C@H](CNC(=O)[C@@H](CC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)N2CCCCC2)cc1 1866006709 DYMSJPKOMFFCSF-SXOMAYOGSA-N 552.716 4.423 10 10 KICE Cc1ccc(OCc2nc(CC(=O)N[C@@H](C)C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cs2)cc1 1866583181 NHLKKAXDTOGTJJ-SFHVURJKSA-N 539.613 4.492 10 10 KICE Cc1oc(-c2cccc(F)c2)nc1CC(=O)N[C@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866657178 MUYBRMGKPOUUQO-OAHLLOKOSA-N 511.509 4.250 10 10 KICE CC[C@@H](NC(=O)c1cc(-c2cc(F)ccc2F)n(C)n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867104430 VTONZDRQWSFADE-OAQYLSRUSA-N 528.515 4.288 10 10 KICE CN(C)c1ccc([C@H](CNC(=O)[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)N2CCCCC2)cc1 1867356789 USMIPLHNJIHBMJ-WUFINQPMSA-N 529.641 4.475 10 10 KICE CN(C)c1ccc([C@@H](CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2ccc([N+](=O)[O-])cc2)N2CCCCC2)cc1 1867357599 KXSHPRFGXIXJEB-URLMMPGGSA-N 559.667 4.051 10 10 KICE CSCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N([C@@H](Cc1ccccc1)C(=O)O)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867628230 YVNSZVVENVKOJR-ZDCRTTOTSA-N 699.874 4.239 10 10 KICE CC(=O)Oc1ccc(C[C@@H](NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867847683 TVEDPYXABUIMNC-QLWXXVCSSA-N 660.728 4.487 10 10 KICE CC[C@@](C)(NC(=O)Cc1nc(-c2cccc(Cl)c2)oc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868647855 AUZPNOXSMBVQFS-MUUNZHRXSA-N 525.049 4.488 10 10 KICE CCC[C@H](NC(=O)[C@H](Cc1ccccn1)c1ccccc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868663831 KKKFCZXVMBSHDQ-IZLXSDGUSA-N 500.643 4.050 10 10 KICE COc1ccc(N2CCN(c3cc(N4CC(=O)N5CCc6ccccc6[C@H]5C4)nc(-c4cccc(OC)c4)n3)CC2)cc1 1869321944 JEFPSEVAEUMXSL-SSEXGKCCSA-N 576.701 4.433 10 10 KICE COc1ccc(CN=c2nc(Nc3ccc(C)cc3)[nH]c(N3CCN(c4ccc(OC)cc4)CC3)n2)cc1 1871478377 SWICIKPSMBEAIF-UHFFFAOYSA-N 511.630 4.301 10 10 KICE COCCN1C(=O)C(NCc2ccc(C(=O)OC(C)C)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873165046 FMGRNQJESVFKCB-UHFFFAOYSA-N 515.610 4.175 10 10 KICE CCOCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccc3c(c2)OCO3)C1=O 1873169561 CVVZRZGFQBFOIH-UHFFFAOYSA-N 501.583 4.119 10 10 KICE O=C1C(=Cc2c(NC[C@@H](O)c3ccccc3)nc3ccccn3c2=O)SC(=S)N1C1CCCCC1 2296546053 JXYRERDXHLJMHX-HXUWFJFHSA-N 506.653 4.374 10 10 KICE Cc1ccc([N+](=O)[O-])cc1-c1ccc(C=C2C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)Cc2ccccc2)o1 2297348249 XVZGQVIUPUTPRP-UHFFFAOYSA-N 535.563 4.355 10 10 KICE CCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C2SC(N3CCC(C(N)=O)CC3)=NC2=O)c1 2297470717 ZBNOBQMESXSSPE-UHFFFAOYSA-N 515.639 4.496 10 10 KICE CC1=NN(c2ccc(Br)cc2)C(=O)C1=CNc1ccc(S(=O)(=O)N2CCCCC2)cc1 2297709590 YOCGZBRKIBHLGJ-UHFFFAOYSA-N 503.422 4.342 10 10 KICE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCc1cccc(C(=O)O)c1 2313565202 ZXNLAYKWPFOOIN-UHFFFAOYSA-N 551.349 4.401 10 10 KICE COc1ccc(CNc2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1 33155022 SEFIWUBQMLZJNF-IAFWPLRWSA-N 522.652 4.004 10 10 KICE COc1cc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OC(=O)c1ccccc1F 33681230 YCACJQXUFANWHH-WNBXHAMUSA-N 501.499 4.116 10 10 KICE CCCC[C@H](CC)CN1C(=O)/C(=C\c2c(N3CCC(C(N)=O)CC3)nc3c(C)cccn3c2=O)SC1=S 100850327 YTJGZRMMCIIVEV-CQHJRZBDSA-N 541.743 4.122 10 10 KICE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(N3CCC[C@@H](C)C3)nc12 100886080 WPEYGQDHYLJLIQ-LTNVFZTJSA-N 534.663 4.369 10 10 KICE C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)/C(=C/c2cccc(Oc3ccccc3)c2)SC1=S 101971454 MXJJXFPIMYUKAO-AABCQZNVSA-N 539.660 4.355 10 10 KICE CCOc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)ccc1OC(=O)c1cccc(C)c1 104563413 IWWYDSDMRCRORA-SREDRKHISA-N 540.623 4.013 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccccc3OCc3ccc(C(=O)O)cc3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 1083914308 PABIFVJGDNCYIW-LJAQVGFWSA-N 597.693 4.142 10 10 KICE Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(N3CCC[C@@H](C)C3)nc12 1772721506 WPEYGQDHYLJLIQ-YSUUHWHMSA-N 534.663 4.369 10 10 KICE CCOC(=O)c1c(NC(=O)C(=O)NC2CCN(C(=O)OCC)CC2)sc(C)c1-c1ccc(Cl)cc1 1860759122 VCEHUDAGROTQOB-UHFFFAOYSA-N 522.023 4.229 10 10 KICE CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC13CC4CC(CC(C4)C1)C3)=C(N)O2 1864014392 UHSAVBHWKDPESL-AVHOYTHQSA-N 541.652 4.411 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)c3cccc(F)c3)CC2)cc1 1874642273 ACENCCJWASZIPC-HHHXNRCGSA-N 500.574 4.006 10 10 KICE O=C(CN1C(=O)SC(=Cc2cc(Br)cc(Br)c2O)C1=O)Nc1nccs1 2314833240 QKXMIUKDOJZTJQ-UHFFFAOYSA-N 519.196 4.049 10 10 KICE O=C1c2ccccc2C(=O)c2cc(NC(=O)C3CCN(C(=O)C=Cc4ccc([N+](=O)[O-])s4)CC3)ccc21 2322115039 WIHJLXPUKUAPHU-UHFFFAOYSA-N 515.547 4.322 10 10 KICE CCN(CC)c1c(/C=C2/SC(=S)N(CCc3ccc(OC)cc3)C2=O)c(C)c(C#N)c(=O)n1CC 33478213 CQGHZHFUAAQFAL-PXLXIMEGSA-N 510.685 4.347 10 10 KICE COc1ccc(CCN2C(=O)/C(=C3\C(=O)N(CC(=O)NCc4ccccc4)c4ccccc43)SC2=S)cc1OC 102844218 CFROXLMFDGPZIO-CYYJNZCTSA-N 573.696 4.181 10 10 KICE Cc1ccc(CN2C(=O)/C(=C\c3nc(S(=O)(=O)c4ccc(C)cc4)c(N4CCOCC4)o3)SC2=S)cc1 103099794 HTCBUMKFXOLYQQ-RCCKNPSSSA-N 555.703 4.362 10 10 KICE CCCCn1c(NCc2ccc3c(c2)OCO3)c(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)c(C)c(C#N)c1=O 143352629 HZYLTAKKHOLMCZ-UUYOSTAYSA-N 568.677 4.235 10 10 KICE CCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1OC 1083853518 AAUIYOWPLBZYGN-RIYZIHGNSA-N 571.165 4.127 10 10 KICE O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)C(=O)Nc1nc(-c2ccc3nc(O)oc3c2)cs1 1860743461 DUZQAPJIFBEPKR-UHFFFAOYSA-N 510.487 4.010 10 10 KICE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)NCCc2c[nH]c4ccccc24)[C@H]3c2ccc(O)c(O)c2)cc1 1864008539 MEXLLKWRLOCPGS-NDEPHWFRSA-N 549.631 4.494 10 10 KICE CCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN(C)C)=C(N)O2 1864022490 XYCRGODDFBWAKI-AREMUKBSSA-N 541.652 4.152 10 10 KICE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCC1)=C(N)O2 1865029093 FUXPNHZZGYZLDB-XMMPIXPASA-N 502.615 4.311 10 10 KICE CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCCC1)=C(N)O2 1865029811 VQDWXOLSSPJABQ-XMMPIXPASA-N 502.615 4.392 10 10 KICE COc1ccc(-c2nn(C)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)N2CCCc4ccccc42)=C(N)O3)cc1 1865033661 FSHYRETZCPERAJ-XMMPIXPASA-N 524.577 4.181 10 10 KICE COc1ccccc1NCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866888179 IXPDJSYOAFRVDS-MHZLTWQESA-N 563.610 4.344 10 10 KICE COc1ccc(C(=O)N[C@H](Cc2ccc(OC(C)=O)cc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1OC 1867305083 PHTPUCHXSBWDDR-JSOSNVBQSA-N 616.759 4.380 10 10 KICE CCC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867815885 KMDRWFBFLFPDCN-RSXGOPAZSA-N 554.648 4.119 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)Cc3nc(-c4ccc(F)cc4)oc3C)CC2)cc1 1868645753 YVHVGJGNQDIUDQ-GDLZYMKVSA-N 572.637 4.122 10 10 KICE CC/C(=C\C(=O)N[C@@H](CCSC)C(=O)N1CCN(c2ccc(OC)cc2)CC1)c1ccc(OC)cc1 1868660860 KGYMPPCNUZENSB-RJOAZTIESA-N 511.688 4.084 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccccc3S(C)(=O)=O)C(=O)N(Cc3cccnc3)C2=O)cc1 1873418733 XRKDOXJVIUEXJZ-UHFFFAOYSA-N 526.618 4.285 10 10 KICE Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccco4)C3=O)c(N3CCN(c4ccc(F)cc4)CC3)nc12 2296732233 LKOVWPXCSCWDGB-UHFFFAOYSA-N 561.664 4.463 10 10 KICE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccc(F)cc2)C(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc1 20663098 LLXCFZBXGLWROW-NUOPVWJPSA-N 528.628 4.250 10 10 KICE biogenic CCCCCCN1C(=O)/C(=C/c2c(N3C[C@H](C)O[C@H](C)C3)nc3ccc(C)cn3c2=O)SC1=S 33438298 MYCYEYDLBIEKAA-YVWUKRILSA-N 500.690 4.398 10 10 KICE CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(OCCOc4ccccc4C)c(Cl)c3)C(=O)N=C2S1 101399203 GAMAQEVMGJWSLT-NSNCLKJASA-N 533.031 4.118 10 10 KICE COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCc1cccc(C(=O)O)c1 1084149844 HJZVPUGDPCEOLD-BKUYFWCQSA-N 516.575 4.421 10 10 KICE CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC(C)C)=C(N)O2 1864010181 JMYAQBVOMZMRHP-XMMPIXPASA-N 520.630 4.170 10 10 KICE CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(Cl)c1)=C(N)O2 1864014668 ZZNRIFQIQJJHTR-HSZRJFAPSA-N 532.000 4.295 10 10 KICE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C)C1)=C(N)O2 1865033086 RMHVQIGPYKZHQS-CJAUYULYSA-N 516.642 4.475 10 10 KICE CCCC[C@@H](NC(=O)c1cccc(NC(C)=O)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867637991 GOIGOEJBGQOFAI-IZLXSDGUSA-N 521.706 4.343 10 10 KICE COc1ccc(N2CCN(c3nc(=NCc4ccc(F)cc4)[nH]c(=Nc4cc(C)ccc4C)[nH]3)CC2)cc1 1871670066 RSIWYLDMIPNRPR-UHFFFAOYSA-N 513.621 4.162 10 10 KICE CCN(CC)CCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccc3c(c2)OCO3)C1=O 1873167802 YEUGAPLCCBROAD-UHFFFAOYSA-N 528.653 4.424 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccc4c(c3)OCO4)C(=O)N(CCOC(C)C)C2=O)cc1 1873168351 RZNKBSWXTIEUKA-UHFFFAOYSA-N 501.583 4.118 10 10 KICE CCOC(=O)c1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCc3cnc[nH]3)C2=O)c1 1873425688 BKIVNDYIUKQNGZ-UHFFFAOYSA-N 523.593 4.429 10 10 KICE COc1ccc(N2CCN(CCC(=O)c3cccc(NC(=O)C4(c5ccc6c(c5)OCO6)CC4)c3)CC2)cc1 1874728399 YHBMNTYELZAAIC-UHFFFAOYSA-N 527.621 4.489 10 10 KICE COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(I)c(OCCOc4cccc(OC)c4)c(OC)c3)C2=O)cc1 2297500032 GLDRAUWNTIPXPN-UHFFFAOYSA-N 644.418 4.441 10 10 KICE CC(=O)Nc1ccc(OCCn2cc(/C=C3\C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)c3ccccc32)cc1 102444260 SLIRVHJIZFACLI-PCLIKHOPSA-N 526.524 4.484 10 10 KICE COc1ccccc1[C@@H]1N[C@](Cc2c[nH]c3ccccc23)(C(=O)O)[C@@H]2C(=O)N(Cc3ccc4c(c3)C(=O)c3ccccc3C4=O)C(=O)[C@@H]12 150651141 FJMDFHMPEBJPSB-ASLHIYRDSA-N 639.664 4.464 10 10 KICE CSCC[C@]1(C(=O)O)N[C@H](c2cc(Cl)ccc2[N+](=O)[O-])[C@@H]2C(=O)N(Cc3ccc4c(c3)C(=O)c3ccccc3C4=O)C(=O)[C@H]21 247495295 CWXDBKAIZXOZDJ-FXIKWKPTSA-N 634.066 4.046 10 10 KICE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC(C)C)=C(N)O2 1864013045 OWJBZEIPHMKLMO-QHCPKHFHSA-N 541.048 4.184 10 10 KICE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccco1)=C(N)O2 1864013509 XMCZLMXUJOVGCS-DEOSSOPVSA-N 514.582 4.208 10 10 KICE CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cccs1)=C(N)O2 1864019039 USFVHQQBZALTEJ-QHCPKHFHSA-N 534.613 4.159 10 10 KICE CCc1nn(CC)c2c1[C@@H](c1cccc(Cl)c1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865097080 GGRPNYFATBYDEH-HSZRJFAPSA-N 522.049 4.171 10 10 KICE CCCN(CCCN(C)C)c1cc(Nc2cccc3c2C(=O)c2ccccc2C3=O)nc(CCOC)n1 1868254209 HSVODSSSTOCVQG-UHFFFAOYSA-N 501.631 4.353 10 10 KICE N=C1C(=Cc2ccc(OCc3ccc4c(c3)OCO4)cc2)C(=O)N=C2SC(CC(=O)N3CCCCC3)=NN12 2297468921 TYIQWJXAMXNDBC-UHFFFAOYSA-N 531.594 4.016 10 10 KICE CCOC(=O)COc1c(Br)cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1OCC 2313561094 UGOMKSSXQBPZMN-UHFFFAOYSA-N 596.228 4.219 10 10 KICE COc1ccc(-n2c(C)cc(C(=O)COC(=O)/C=C\c3c(C)nn([C@H]4CCS(=O)(=O)C4)c3Cl)c2C)cc1 103070520 ZDLWUBFECMQTPJ-QJRAZLAKSA-N 546.045 4.060 10 10 KICE COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 103848986 GWKWJJBZHJAJSV-YVLHZVERSA-N 522.401 4.109 10 10 KICE CCn1c(N2CCN(c3ccccc3)CC2)c(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)c(C)c(C#N)c1=O 110522897 GLCOXSMRKSNMTB-MOHJPFBDSA-N 579.748 4.221 10 10 KICE CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(OC)cc3)N(CCCN3CCN(c4ccc(OC)cc4)CC3)C2=S)cc1 150396268 PUVQHTRFMXCNQQ-WJOKGBTCSA-N 659.809 4.424 10 10 KICE CCC[C@@H](NC(=O)c1cc(C)n(-c2cccc(Cl)c2)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861886202 FWGNKLYRIBLBAS-XMMPIXPASA-N 510.038 4.090 10 10 KICE CCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1)=C(N)O2 1864019747 QAUVMLVNFMMWCS-VWLOTQADSA-N 510.594 4.224 10 10 KICE CCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2-c2ccc(Cl)cc2)[C@@H]1c1ccc(O)c(O)c1 1864023506 ZRDWUFXXCSJEKI-QFIPXVFZSA-N 532.984 4.443 10 10 KICE Cc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)C1CCCCC1)=C(N)O2 1865026945 UFNQBZAIITXGSJ-XMMPIXPASA-N 506.578 4.276 10 10 KICE O=C(COc1cn(Cc2ccco2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O)N1CCOCC1 1871033013 PUXXGAXHWIRWOP-UHFFFAOYSA-N 514.582 4.083 10 10 KICE Cc1c(N2C(=O)C(=Cc3c(N4CCN(Cc5ccccc5)CC4)nc4ccccn4c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C 2314414793 MMJZMNSAZPBTID-UHFFFAOYSA-N 649.802 4.220 10 10 KICE COc1cccc(CN2CCC(N(c3ccc4c(c3)OCO4)S(=O)(=O)c3ccc(F)cc3)CC2)c1O 34683987 OPKIOGSGFIAOGF-UHFFFAOYSA-N 514.575 4.129 10 10 KICE COc1ccc(CN2C(=O)/C(=C\c3c(NC[C@H]4CCCO4)nc4ccc(C)cn4c3=O)SC2=S)cc1 35300149 SYVKXEWJRLUBFL-MRUVXERFSA-N 522.652 4.004 10 10 KICE CCCn1c(N2C[C@H](C)O[C@@H](C)C2)c(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)c(C)c(C#N)c1=O 137730209 ZPLSTGHJEZKHGB-YFHQDKTHSA-N 566.705 4.182 10 10 KICE Cc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCCC1)=C(N)O2 1865026503 OOLCULIDBCMWFF-QHCPKHFHSA-N 509.006 4.402 10 10 KICE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](C)C1)=C(N)O2 1865027454 YKVQHQGHIVUQGL-NPMXOYFQSA-N 509.006 4.258 10 10 KICE COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N(C)C2CCCCC2)[C@@H]3c2ccc(O)c(O)c2)cc1 1865028095 PIHLBDSMSYILTN-XMMPIXPASA-N 504.587 4.086 10 10 KICE CCC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(OCCN2CCOCC2)c(OC)c1 1865665241 IQLNOPXYPUPZEF-LTGZKZEYSA-N 514.420 4.365 10 10 KICE CC(=O)Nc1c(Br)cc(C(=O)N[C@@H](c2ccc(N(C)C)cc2)c2nccn2C)cc1Br 1866063860 LKXAERALRBBWMK-IBGZPJMESA-N 549.267 4.489 10 10 KICE Cc1ccc(-c2cc(C(=O)N[C@@H](C)C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)nn2C)cc1C 1866827007 WGIOMURFEVPYNK-SFHVURJKSA-N 506.562 4.236 10 10 KICE CSCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(C(C)(C)C)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867511883 DAGYSDXUXACGAT-NSOVKSMOSA-N 607.821 4.342 10 10 KICE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccc(F)cc4)cn3Cc3cccnc3)CC2)cc1 1870623219 KWMAYFQOGZMGPT-UHFFFAOYSA-N 514.601 4.341 10 10 KICE O=C1C(=Cc2c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccc(F)cc1 2314399371 UOUYRBCUZUKLRX-UHFFFAOYSA-N 615.712 4.286 10 10 KICE CCN(C)C(=O)c1cccc(CSc2nc(COC)cc(N3CCN(c4ccc(OC)cc4)CC3)n2)c1 36061625 YMNXMHTUSLWIKJ-UHFFFAOYSA-N 521.687 4.342 10 10 KICE CCOc1cc(/C=C2\C(=N)N3N=C(S(=O)(=O)CC(C)C)SC3=NC2=O)ccc1OC(=O)c1cccs1 101399652 JYTACFKZFPCJLP-XJWHVNBWSA-N 546.652 4.013 10 10 KICE Cc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C/Nc2c(C)nn(-c3ccc([N+](=O)[O-])cc3)c2C)C1=O 103811689 QMTIYDDQIASWQQ-WQRHYEAKSA-N 539.346 4.047 10 10 KICE Cc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(C(F)(F)F)c1)=C(N)O2 1864009708 KQSTXNLNVQVMPL-JOCHJYFZSA-N 537.498 4.017 10 10 KICE NC1=C(C(=O)NCCc2cccs2)[C@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3ccccc3)c2O1 1864015265 NQZABLGDWAVURJ-LJQANCHMSA-N 542.539 4.417 10 10 KICE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4Cc4ccccc4)[C@@H]3c3ccccc3)CC2)cc1 1865014983 QLAMIFCJRVRTSA-NDEPHWFRSA-N 535.648 4.292 10 10 KICE C[C@@H]1CCCN(C(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3Cc3ccccc3)[C@@H]2c2ccc(O)c(O)c2)C1 1865033882 JQAXTECCTDVVAU-QRWLVFNGSA-N 528.531 4.315 10 10 KICE O=C(Cc1ccc(N2CCOCC2)cc1)N[C@H](Cc1ccc(F)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866907660 WEKBCYIZEQGINL-SSEXGKCCSA-N 591.639 4.346 10 10 KICE CCOC(=O)c1ccc(NC(=O)CN2C(=O)C(=C3SC(=S)N(CC(C)C)C3=O)c3ccccc32)cc1 2296539365 RBKIIIDNRUQIRD-UHFFFAOYSA-N 523.636 4.076 10 10 KICE O=C1N=C(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)SC1=Cc1ccccc1OS(=O)(=O)c1ccccc1 2296945842 KSQCZKMQRMHEFQ-UHFFFAOYSA-N 550.618 4.155 10 10 KICE Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(NC3CCCC3)nc12 2314413724 FXLQQVUGKJWYBC-UHFFFAOYSA-N 520.636 4.488 10 10 KICE COc1ccc(/C=C\C(=O)Nc2ccc3nc(N4CCN(c5ncccn5)CC4)cc(C)c3c2)cc1OC 33695419 LDFFBJSMFUGXCD-POHAHGRESA-N 510.598 4.329 10 10 KICE Cc1c(N2C(=O)/C(=C/c3c(NCc4ccco4)nc4ccccn4c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C 110074764 COFGRSIFDJFQPK-QNGOZBTKSA-N 570.656 4.103 10 10 KICE CC[C@H]([C@H](C)O)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cncn6)(c6ccc(F)cc6F)C5)cc4)CC3=O)cc2)c1=O 504665240 ZZDLBPMUUVZXAY-NOWIPFOESA-N 714.774 4.100 10 10 KICE CCc1sc(NC(=O)C(=O)NCCCN(CC)CC)c(C(=O)OC)c1-c1ccc(Br)cc1 1860763300 DCAHRBNIFCQKJQ-UHFFFAOYSA-N 524.481 4.313 10 10 KICE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NCc1ccccc1OC)[C@@H]2c1ccc(O)c(O)c1 1864017261 IWAYMRNEJJDRQI-XMMPIXPASA-N 542.592 4.009 10 10 KICE COc1ccc(C2=NN(Cc3ccccc3F)C(=O)/C2=C/c2ccc(OCCN3CCOCC3)c(OC)c2)cc1 1865665361 PIDHKECESGRSQA-LGUFXXKBSA-N 545.611 4.384 10 10 KICE CCC[C@@H](NC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867202875 AORBIMUCUCJAPJ-HSZRJFAPSA-N 523.589 4.253 10 10 KICE CN(C)c1ccc([C@@H](CNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)N2CCCCC2)cc1 1867798730 VQKWFSDHRUDLPY-GRKNLSHJSA-N 602.736 4.117 10 10 KICE CC[C@](C)(NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867817153 ADONAROQCQFPLL-LSYYVWMOSA-N 554.648 4.119 10 10 KICE CC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867911928 YYUSZBTYJVPYAQ-ZEQRLZLVSA-N 516.042 4.166 10 10 KICE Cc1oc(-c2ccc(Cl)cc2)nc1CC(=O)NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1868132044 GHQRMNQGHJJUAR-UHFFFAOYSA-N 513.937 4.376 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)CCCc3ccc4c(c3)OCCO4)CC2)cc1 1868727645 UKJLLMGXZNXOJK-MUUNZHRXSA-N 561.654 4.005 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)CCS(=O)(=O)c3ccc(C(C)(C)C)cc3)c3ccccc3)CC2)cc1 1868744572 MDKONLVKSAORJW-PMERELPUSA-N 577.747 4.363 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)c4cc(C(F)(F)F)cc(C(F)(F)F)c4)n(C)n3)CC2)cc1 1869969897 XQDGHRSOSCPFKU-UHFFFAOYSA-N 528.457 4.440 10 10 KICE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(N3CCC(C(N)=O)CC3)=NC2=O)cc1 2296730266 OFHOEXNCUBRLSV-UHFFFAOYSA-N 501.612 4.106 10 10 KICE Cc1ccc2nc(N3CCCCC3)c(/C=C3\SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(=O)n2c1 110075249 NULCMJJINSNKAB-JWGURIENSA-N 572.716 4.197 10 10 KICE O=C(O)CCN1C(=O)/C(=C/c2ccccc2OCCOc2ccccc2/C=C2/SC(=S)N(CCC(=O)O)C2=O)SC1=S 159217218 BVMTUTHCMHYCMV-KBNZVFGVSA-N 644.774 4.496 10 10 KICE Cc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1OC(C)(C)C)=C(N)O2 1864010977 XTAGYRHNWWUGSQ-RUZDIDTESA-N 541.608 4.175 10 10 KICE CCCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2Cc2cccc(F)c2)[C@H]1c1ccc(O)c(O)c1 1864013258 UEMACSKWNLVPOR-HSZRJFAPSA-N 508.594 4.435 10 10 KICE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCC(C)C)=C(N)O2 1864013264 UNZZNMYKTJYISI-DEOSSOPVSA-N 504.631 4.460 10 10 KICE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)N2CCC[C@@H](C)C2)[C@H]3c2ccc(O)c(O)c2)c1 1865027778 KYYDBPKADKKYFF-NSYGIPOTSA-N 502.615 4.221 10 10 KICE CCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCC1)=C(N)O2 1865032638 HOWBMHNODWDUGI-NRFANRHFSA-N 539.430 4.316 10 10 KICE CCCc1nn(CCC)c2c1[C@H](c1cccc(OC)c1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865576633 CHQJQGMIMCFCFX-SANMLTNESA-N 545.684 4.306 10 10 KICE COc1ccc(CN2C(=O)c3ccc(C(=O)Nc4c(Br)cccc4C(=O)O)cc3C2=O)cc1 1865878205 FHRLXWJKWKRWOS-UHFFFAOYSA-N 509.312 4.204 10 10 KICE COc1ccc(CN2C(=O)c3ccc(C(=O)N[C@@H](C)C(=O)NC[C@H](c4ccc(N(C)C)cc4)N4CCCCC4)cc3C2=O)cc1 1867445947 QXOQBAASZXNMJX-GTYOFVGBSA-N 611.743 4.019 10 10 KICE CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCN(c3nnc(-c4ccc(Cl)cc4)n3C)CC2)n1 1869128858 JKNXMNJSFHIQKO-UHFFFAOYSA-N 574.133 4.150 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCO[C@@H](c5ccccc5)C4)nc(-c4cccnc4)n3)CC2)cc1 1869371346 HPJRPFVRRJDMTN-HHHXNRCGSA-N 508.626 4.452 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCCOC(C)C)C(=O)N(Cc3ccc4c(c3)OCO4)C2=O)cc1 1873165216 ISIFTLXBBQASKR-UHFFFAOYSA-N 501.583 4.118 10 10 KICE COc1ccc([C@@H]2[C@@H](C(=O)N3CCN(c4ccc(OC)cc4)CC3)c3ccccc3CC(=O)N2C2CC2)cc1 1892028316 RGEXJEUGKFILSO-IOWSJCHKSA-N 525.649 4.425 10 10 KICE Cc1ccc(CN2C(=O)C(=Cc3c(N4C[C@H](C)O[C@@H](C)C4)nc4c(C)cccn4c3=O)SC2=S)cc1 2040467047 UHYAQIVTQDGDKM-OALUTQOASA-N 520.680 4.326 10 10 KICE O=C(CCN1C(=O)C(=Cc2cccc(Br)c2)SC1=S)Nc1ccc(O)c(C(=O)O)c1 2297459488 RQYHENFZDHWVHO-UHFFFAOYSA-N 507.387 4.083 10 10 KICE CCOc1cc(C=C2SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)ccc1O[C@@H](C)C(=O)O 2314935468 PICXFQUQKHRQCY-INIZCTEOSA-N 539.635 4.141 10 10 KICE COc1ccc(CN2C(=O)/C(=C/c3nc(S(=O)(=O)c4ccc(C)cc4)c(N4CCOCC4)o3)SC2=S)cc1 100913014 CHFUSKHGGXVIOK-QNGOZBTKSA-N 571.702 4.062 10 10 KICE COc1ccc2[nH]c3c(c2c1)CCN[C@]31CS[C@@H]2c3c(OC(C)=O)c(C)c4c(c3[C@@H](COC1=O)N1[C@@H](O)[C@H]3Cc5cc(C)c(OC)c(O)c5[C@H]([C@H]21)N3C)OCO4 201182818 YDDMIZRDDREKEP-FSEVOENZSA-N 784.888 4.189 10 10 KICE COc1ccc([C@@H]2C3=C(N=c4sc(=Cc5ccc(N(C)C)cc5)c(=O)n42)c2ccccc2CC3)cc1OC 263622601 UJUOEOWPPWUISA-GDLZYMKVSA-N 523.658 4.402 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)cc1 1862158091 VJDSPAHEFLEJQS-LSABQMHNSA-N 506.455 4.266 10 10 KICE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cn(C)c3ccccc13)=C(N)O2 1864014379 TVGYQXOIIUYTCF-SANMLTNESA-N 543.668 4.448 10 10 KICE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NCc1ccccc1)[C@@H]2c1ccc(O)c(O)c1 1864017119 FVWNDMBRCWTPSY-XMMPIXPASA-N 526.593 4.391 10 10 KICE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1ccccc1C 1865660544 JZJHKAWLOLAYLW-OAQYLSRUSA-N 541.574 4.282 10 10 KICE COc1cccc2c1C(=O)N([C@H](Cc1ccccc1)C(=O)Nc1ccc3c(c1)C(=O)c1ccccc1C3=O)C2=O 1865840451 OOXMWVBQWDVCRE-RUZDIDTESA-N 530.536 4.317 10 10 KICE COc1ccc(CN2C(=O)c3ccc(C(=O)Nc4ccc(I)cc4C(=O)O)cc3C2=O)cc1 1865878493 LITPTLWJLJGUDU-UHFFFAOYSA-N 556.312 4.047 10 10 KICE CC[C@H](C)N1C(=O)c2ccc(C(=O)N[C@@](C)(CC)C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O 1867582400 BZBOJCCMYOGDDK-ZSMKPLJQSA-N 575.754 4.389 10 10 KICE CN(C)c1ccc([C@H](CNC(=O)[C@@H](CSCc2ccccc2)NC(=O)c2ccc(NS(C)(=O)=O)cc2)N2CCCCC2)cc1 1867605449 MJGWSTSSBQXGMO-JSOSNVBQSA-N 637.872 4.499 10 10 KICE CC(=O)Oc1ccc(C[C@H](NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867847680 TVEDPYXABUIMNC-BHDXBOSCSA-N 660.728 4.487 10 10 KICE CCCC[C@@H](NC(=O)c1ccc(N2CCN(C(=O)C(C)(C)C)CC2)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868805586 NHVCJHXZJURKDE-GDLZYMKVSA-N 577.770 4.027 10 10 KICE CCCCN=c1nc(Nc2ccc(Br)cc2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871471362 XMUSBGPQILSDAT-UHFFFAOYSA-N 512.456 4.347 10 10 KICE COCCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NC[C@H](O)c3ccc(Cl)cc3)ncnc21 1875222539 DQKBVHGTCUXQEB-MHZLTWQESA-N 579.101 4.238 10 10 KICE CCCCCOC(=O)CCN1C(=O)C(=C2SC(=S)N(CCC(=O)OCCCCC)C2=O)SC1=S 2295880037 ZRBBKTNDLCLMLT-UHFFFAOYSA-N 546.758 4.166 10 10 KICE COc1ccc(CN2C(=O)C(=Cc3c(N4C[C@H](C)O[C@H](C)C4)nc4ccc(C)cn4c3=O)SC2=S)cc1 2295987661 JYXGYIAFLYDUJL-HDICACEKSA-N 536.679 4.027 10 10 KICE O=C(O)CC[C@H](C(=O)O)N1C(=O)C(=Cc2cc(Cl)ccc2OCC(=O)Nc2ccc(F)cc2)SC1=S 2314842438 VNCBYGFHDXIXDM-MRXNPFEDSA-N 552.989 4.016 10 10 KICE CN(C)c1ccc(/C=c2\s/c(=C\S(=O)(=O)c3ccc(Cl)cc3)n(CC(=O)c3ccc(Cl)cc3)c2=O)cc1 97981001 IYXNTHVMGABSJI-ZJBVHHKSSA-N 573.523 4.206 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 1084152698 IAQIPPWXSJGIRO-HHHXNRCGSA-N 588.642 4.041 10 10 KICE COc1ccc(N2CCN(C(=O)c3ccc4nc(-c5cc(OC)c(OC)c(OC)c5)[nH]c4c3)CC2)cc1 1861869797 YMMRNDNOTKNPFQ-UHFFFAOYSA-N 502.571 4.227 10 10 KICE CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(OC)cc1)=C(N)O2 1864009971 HDSXGOUKXMUGEY-VWLOTQADSA-N 526.593 4.256 10 10 KICE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1c[nH]c3ccccc13)=C(N)O2 1864013452 BLZXHADLRYDDBK-RUZDIDTESA-N 529.641 4.438 10 10 KICE CCCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1864015342 OZXNFZUYTIXWBA-IBGZPJMESA-N 516.520 4.362 10 10 KICE CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(C)cc1)=C(N)O2 1864017754 UNSSDIJOIKUSAC-RUZDIDTESA-N 510.594 4.208 10 10 KICE CCCC[C@H](NC(=O)C[C@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868692806 GMFJTWIDNCXZPO-SVBPBHIXSA-N 535.685 4.374 10 10 KICE COCCNC(=O)COc1cn(CCCOC(C)C)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870966408 CELUIXSTMGUJSI-UHFFFAOYSA-N 522.646 4.161 10 10 KICE COc1cc(C=C2C(=N)N3N=C(S(=O)(=O)CC(C)C)SC3=NC2=O)ccc1OCc1ccccc1F 2297346440 DGJXJGOCBVTUKH-UHFFFAOYSA-N 530.603 4.061 10 10 KICE CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CN2C(=O)C(=Cc3cccs3)SC2=S)cc1 2314627492 BJLAMWMZUJLBEX-LJQANCHMSA-N 501.699 4.223 10 10 KICE CCCCN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(C)c2N2CCN(c3ccccc3F)CC2)SC1=S 33458897 NTCVTWDJYDIUBR-PXLXIMEGSA-N 525.675 4.032 10 10 KICE O=S(=O)(Nc1ccc(O)cc1)c1ccc(Cc2ccc(S(=O)(=O)Nc3ccc(O)cc3)cc2)cc1 196443495 PVGKXCISMCULOP-UHFFFAOYSA-N 510.593 4.290 10 10 KICE Cc1ccc(C(C)C)c(Oc2nc3ccccn3c(=O)c2/C=C2\SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c1 213161758 PYRPJDIZHDXEBA-OJSPLJLUSA-N 555.703 4.307 10 10 KICE CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 1084016720 MEZQAFBLINOZLO-BKUYFWCQSA-N 505.458 4.378 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)c3ccc4nc(-c5cccc(Cl)c5)[nH]c4c3)CC2)cc1 1861888044 BCVZSTOGQCMXMF-GOSISDBHSA-N 518.017 4.359 10 10 KICE COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N[C@H](C)c2ccccc2)[C@H]3c2ccc(O)c(O)c2)cc1 1864007202 HSJMJMYHEDCCQJ-CPJLOUKISA-N 512.566 4.173 10 10 KICE CCN(CC)CCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2cc(C)ccc2C)[C@@H]1c1ccc(O)c(O)c1 1864012153 SOXRCJJMXUWLKH-MHZLTWQESA-N 547.700 4.201 10 10 KICE CCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCc3ccccc3C1)=C(N)O2 1865032770 KEIRDMPCEGPIMG-AREMUKBSSA-N 538.604 4.134 10 10 KICE CC[C@@H](NC(=O)[C@H]1CCCN1Cc1ccccc1F)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866921115 XSJQHROEAWIANN-ILBGXUMGSA-N 513.569 4.099 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccccn3)C(=O)N(Cc3ccc4c(c3)OCO4)C2=O)cc1 1873164017 IFRWDVHGFINHGB-UHFFFAOYSA-N 506.562 4.288 10 10 KICE COC(=O)Nc1ccc(-n2c(C)cc(C=C3NC(=O)N(CC(=O)Nc4ccc(C)cc4)C3=O)c2C)cc1 2294046283 ADTRGXICHSXVRC-UHFFFAOYSA-N 501.543 4.112 10 10 KICE Cc1ccc(S(=O)(=O)c2nc(C=C3SC(=S)N(Cc4ccc(F)cc4)C3=O)oc2N2CCOCC2)cc1 2296167122 VYQNCYYDKDDUFS-UHFFFAOYSA-N 559.666 4.193 10 10 KICE Cc1cccn2c(=O)c(C=C3SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(NCC(C)C)nc12 2296732227 KDJCWOVWTGKSEF-UHFFFAOYSA-N 560.705 4.274 10 10 KICE CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C(=O)OCC)cc4)c3C)c(=O)n2[C@@H]1c1cccs1 2987303 WQUODEBJRNFRLV-GTWFGUSFSA-N 575.712 4.444 10 10 KICE CCOc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC)ccc1O[C@@H](C)c1ccccc1 20206479 XFFJJBCNRCARKV-OJNZYWOCSA-N 512.613 4.237 10 10 KICE CCN1C(=O)/C(=C2\SC(=S)N([C@H](C(=O)OC)c3ccccc3)C2=O)c2cc(Br)ccc21 101737152 KOIAMTLKPLVMAP-HMNTXPNISA-N 517.426 4.301 10 10 KICE CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1cccc(OC)c1 1084092408 KYJQSBOVNODLEH-MUUNZHRXSA-N 539.657 4.010 10 10 KICE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)NCc2ccccc2F)[C@H]3c2ccc(O)c(O)c2)c1 1864010727 BCURYGJQIZWYMM-SANMLTNESA-N 528.584 4.418 10 10 KICE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@@H](C)C1)=C(N)O2 1865029774 VFEUQGJHUPHWGD-KXNSMUHISA-N 539.032 4.220 10 10 KICE CCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N([C@H](C)CC)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867580685 WGAZLGSAOKNNQD-YDTRGFDASA-N 575.754 4.389 10 10 KICE CN(C)c1ccc([C@@H](CNC(=O)[C@H](NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c2ccccc2)N2CCCCC2)cc1 1867694867 VCTAKDGWKRLGBJ-ROJLCIKYSA-N 668.260 4.241 10 10 KICE CC(=O)Oc1ccc(C[C@@H](NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867789814 RVXCTSQCBOHBRF-FHPVIJFVSA-N 686.810 4.107 10 10 KICE CC/C(=C\C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1)c1ccc(OC)cc1 1868666385 LGXUXZVLTAONLI-UFZXZGGJSA-N 543.664 4.279 10 10 KICE COCCN1[C@@H](C)CN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(-c3cccc(OC)c3)n2)C[C@H]1C 1869312578 UHVSJCAAFPYXQC-PSWAGMNNSA-N 546.716 4.033 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCc3cccnc3)C(=O)N(Cc3nc4ccccc4[nH]3)C2=O)cc1 1873164340 XGLUUPWMNDGLCR-UHFFFAOYSA-N 502.578 4.435 10 10 KICE COc1ccc(CN2C(=O)C(NCCOC(C)C)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1OC 1873165324 HXNXSSUSLOSDFJ-UHFFFAOYSA-N 517.626 4.406 10 10 KICE Cc1cc([N+](=O)[O-])ccc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCc2cnc[nH]2)C1=O 1873425951 KSAQZGPVRDBYLB-UHFFFAOYSA-N 510.554 4.469 10 10 KICE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCC1(N(Cc2ccccc2)Cc2ccccc2)COC1 2200961251 IYJQGFADEPZGOV-SANMLTNESA-N 561.679 4.121 10 10 KICE O=C1NC(=S)N(C2CCCCC2)C(=O)C1=CNc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1 2296147271 ROQGIWXHWKFTLN-UHFFFAOYSA-N 552.100 4.174 10 10 KICE Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccccc4)C3=O)c(N3C[C@H](C)O[C@H](C)C3)nc12 2296698686 FGEHNEFXVJIBEO-HDICACEKSA-N 506.653 4.018 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)C=Cc4cccc(F)c4)n(-c4ccc(OC)cc4)n3)CC2)cc1 2331394379 ABHAORJQRNNFCJ-UHFFFAOYSA-N 528.588 4.402 10 10 KICE CCOCCCNc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccc(OC)cc2)C1=O 33629591 PFGQWIRWDOHNRI-RCCKNPSSSA-N 524.668 4.251 10 10 KICE O=C1/C(=C/c2ccccc2)SC(=S)N1CCCC(=O)N(Cc1ccc(N2CCCCC2)o1)[C@H]1CCS(=O)(=O)C1 101909570 DBNMHKIXVLOOIG-WPJOPHNKSA-N 587.789 4.467 10 10 KICE O=C1/C(=C\c2c(NC[C@H](O)c3ccccc3)nc3ccccn3c2=O)SC(=S)N1Cc1ccc(F)cc1 102687496 VICBLXCSBYIUPT-PIUNUONSSA-N 532.622 4.381 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(C)C)c(Br)c3)c(=O)n2[C@H]1c1ccccc1Cl 252672165 PKEDZJGPQYWAQD-QFIPXVFZSA-N 560.901 4.280 10 10 KICE CCOc1cccc(C2=C(O)C(=O)N(c3ccc(C(=O)OCCOC)cc3)[C@H]2c2ccc(O)c(O)c2)c1 526562433 LIWLZCOQZKOWHA-VWLOTQADSA-N 505.523 4.357 10 10 KICE Cc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)c1ccccc1)=C(N)O2 1864011670 JUQUIQQDPFNVFU-LMKMVOKYSA-N 514.557 4.362 10 10 KICE CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOc1cc(C)cc(C)c1)=C(N)O2 1864017892 XUJQQEZFAWICEJ-AREMUKBSSA-N 540.620 4.353 10 10 KICE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCc1ccccc1)[C@H]2c1ccc(O)c(O)c1 1864022388 MXEAHLRJNUIMQP-IBGZPJMESA-N 516.520 4.023 10 10 KICE CC1CCN(C(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3-c3ccccc3)[C@H]2c2ccc(O)c(O)c2)CC1 1865032235 YRFYFIXTBIDTSY-LJQANCHMSA-N 514.504 4.255 10 10 KICE C[C@H](NC(=O)c1ccccc1C(=O)c1ccccc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867543624 YKLUGCVSPFHSDN-IADCTJSHSA-N 526.681 4.445 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)C[C@@H](c3cccc(Br)c3)c3nccs3)CC2)cc1 1868893772 IXLXOYWGYYKBIH-MBSDFSHPSA-N 557.514 4.290 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc4c(c3)OCO4)C(=O)N(CCCCN(C)C)C2=O)cc1 1873425390 WNJPUFMIAJRVAW-UHFFFAOYSA-N 500.599 4.357 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)c3cc4ccccc4n3C)CC2)cc1 1874642652 KIFIQNUWIGHTAX-MUUNZHRXSA-N 535.648 4.358 10 10 KICE CC(=O)N1N=C(c2ccc(I)o2)O[C@@H]1C(=Cc1ccc(N(C)C)cc1)NC(=O)c1ccccc1 2297403626 VIJQSKYTMZHSNT-RUZDIDTESA-N 570.387 4.288 10 10 KICE CCC[C@@H](NC(=O)C=Cc1ccc(Br)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2328570757 LMOBDZOSIHTRJI-HSZRJFAPSA-N 500.437 4.105 10 10 KICE CS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C(=O)N=C2S1 20207650 ZWKRKKLWAJRSHL-LQKPDRLUSA-N 509.396 4.194 10 10 KICE COc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1 33604097 RBJPROBVHLBCFB-JCMHNJIXSA-N 519.604 4.259 10 10 KICE CC(C)CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCOCC3)c2)SC1=S 101013147 IWYCFSYTTNBNHQ-JLPGSUDCSA-N 568.746 4.417 10 10 KICE CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCc3ccc(C(=O)O)cc3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 103904310 PABIFVJGDNCYIW-NNAGEYCMSA-N 597.693 4.142 10 10 KICE Cc1cccn2c(=O)c(/C=C3\SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(N3CCCCC3)nc12 110075243 GBGGHCMAKRWBRF-XLNRJJMWSA-N 572.716 4.197 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 254516231 AUXCSMFMBXTIAG-MHZLTWQESA-N 572.643 4.341 10 10 KICE CC[C@H]1CCCCN1C(=O)CN1CCOCCOc2ccc(N3CCOCC3)cc2Cc2cccc(c2)C1 643588931 MPHZAVHVWJKJNE-NDEPHWFRSA-N 521.702 4.116 10 10 KICE Nc1ccc(NC(=O)c2cc(I)cc(I)c2I)cc1 700720735 AOXIRAVFMXDBIK-UHFFFAOYSA-N 589.940 4.335 10 10 KICE COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1cccc(C(=O)O)c1 1084001944 YZZWEZTYNDGKDA-NDENLUEZSA-N 522.966 4.457 10 10 KICE C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)CCN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)[C@H]2CCS(=O)(=O)C2)o1 1615296210 RBINRFGENLDREK-IJBFNAFYSA-N 562.710 4.349 10 10 KICE COc1cccc(OCC(=O)Nc2cccc(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)n2)c1 1860557948 FGTSDHFFLCTIEJ-UHFFFAOYSA-N 507.502 4.135 10 10 KICE CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)c1ccc(OC)cc1)=C(N)O2 1864014572 YOHUKTZRKWGDDU-NSYGIPOTSA-N 541.608 4.212 10 10 KICE CCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)Cc1ccccc1)=C(N)O2 1865035194 NWYRVXROVUSYPX-RUZDIDTESA-N 528.584 4.397 10 10 KICE C=Cc1ccccc1OCC(=O)N[C@H](CCSC)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867267095 XMJGDXKFJXYPMZ-HSZRJFAPSA-N 514.603 4.360 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)Cc3nc(-c4cccc(F)c4)oc3C)CC2)cc1 1868644743 ZZQRLSAMZOPOTN-GDLZYMKVSA-N 556.638 4.417 10 10 KICE CCCCCn1cc(OCC(=O)N2CCCCCC2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870500206 AYEVRQRSQAZWJE-UHFFFAOYSA-N 524.706 4.151 10 10 KICE COc1ccc(N2CCN(Cc3cc(=O)c(OCCOC(C)C)cn3CCc3ccccc3)CC2)cc1 1870539511 PLXYQWRJPGUISJ-UHFFFAOYSA-N 505.659 4.226 10 10 KICE Cc1cccn2c(=O)c(C=C3SC(=S)N(CC(C)C)C3=O)c(N3CCN(Cc4ccccc4)CC3)nc12 2296697906 YVBZPFQCXUDVHQ-UHFFFAOYSA-N 533.723 4.182 10 10 KICE CCN(CC)c1ccc(C=C(NC(=O)c2ccc(F)cc2)C(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc1 2297504416 LLXCFZBXGLWROW-VWNXMTODSA-N 528.628 4.250 10 10 KICE CCOc1cc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCCSc1ccc(C)cc1 101397129 ZPJKQMFMFRXVSO-MRKXPFMVSA-N 544.680 4.186 10 10 KICE Cc1c(Br)ccc(N2C(=O)NC(=O)/C(=C\c3cccc(I)c3)C2=O)c1C 103813311 WVFVRGLPKLMAEY-NTEUORMPSA-N 525.140 4.337 10 10 KICE COc1ccc(-[n+]2noc(O)c2C(=O)CSC2=N/C(=C/c3ccc(N(C)C)cc3)C(=O)N2c2ccccc2)cc1 104842788 RLZNIYLHBSPGDF-JJIBRWJFSA-O 556.624 4.091 10 10 KICE O=C(CCCN1C(=O)/C(=C\c2ccccc2OC(F)F)SC1=S)Nc1ccc(C(=O)O)c(O)c1 210498316 RCDUHMNBQBSCEY-LICLKQGHSA-N 508.524 4.312 10 10 KICE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)NCc2cccs2)[C@@H]3c2ccc(O)c(O)c2)cc1 1864008216 GAOUQFJCDFWXFY-HSZRJFAPSA-N 502.596 4.032 10 10 KICE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)CC)=C(N)O2 1864018026 ASZQKHFHOWDSKG-YEJXKQKISA-N 514.985 4.307 10 10 KICE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC1)=C(N)O2 1865030846 SOEJRHUKGXGKRW-DEOSSOPVSA-N 502.615 4.229 10 10 KICE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4-c4ccccc4Cl)[C@H]3c3ccc[nH]3)CC2)cc1 1865598498 IXIFVYHCKFDHEP-RUZDIDTESA-N 545.043 4.214 10 10 KICE CSCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N([C@@H](CC(C)C)C(=O)O)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867477107 LVBBXJTUPSTJFN-DTXPUJKBSA-N 665.857 4.043 10 10 KICE COc1ccc(-c2nc(CC(=O)N[C@H](C(=O)N3CCN(c4ccc(OC)cc4)CC3)c3ccccc3)c(C)o2)cc1 1868656820 CGKFGAYFCJTXKB-PMERELPUSA-N 554.647 4.416 10 10 KICE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)[C@H](c3ccc(Br)cc3)C(C)C)CC2)cc1 1868848950 RWTZUNSYUDUAQD-QHCPKHFHSA-N 516.480 4.441 10 10 KICE COCCNC(=O)COc1cn(Cc2ccccc2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870962637 XZSZCCWONIHGOU-UHFFFAOYSA-N 512.610 4.394 10 10 KICE CCS(=O)(=O)C1=NN2C(=N)C(=Cc3cc(Cl)c(OCc4ccc(C)cc4)c(OC)c3)C(=O)N=C2S1 2297346151 HYZQEDSFFDGWNT-UHFFFAOYSA-N 533.031 4.247 10 10 KICE Cc1ccc(CN2C(=O)C(=Cc3c(N4C[C@H](C)O[C@H](C)C4)nc4ccc(C)cn4c3=O)SC2=S)cc1 2314400502 NXESMZMLIYNDCQ-KDURUIRLSA-N 520.680 4.326 10 10 KICE O=C(NN1C(=O)C(=Cc2ccc(OCC(=O)N3CCCCC3)cc2)SC1=S)c1ccccc1Cl 2314765010 RMCHEEYNVRTHBR-UHFFFAOYSA-N 516.044 4.278 10 10 KICE COc1ccc(C=C2SC(=S)N(CCCC(=O)N=c3[nH]onc3-c3cc(C)ccc3C)C2=O)cc1 2314817641 DZMHRDJIJMTVTA-UHFFFAOYSA-N 508.625 4.404 10 10 KICE CCC1=NN2C(=N)/C(=C/c3ccc(OCCOc4ccc(NC(C)=O)cc4)c(OC)c3)C(=O)N=C2S1 96467385 CYYBFRVLNWODRO-YJFMCDHMSA-N 507.572 4.141 10 10 KICE O=C1/C(=C/c2ccccc2)SC(=S)N1CCC(=O)N(Cc1ccc(N2CCCCC2)o1)[C@@H]1CCS(=O)(=O)C1 101909555 LDEUYAKKLYJLMF-VLZCYVRTSA-N 573.762 4.077 10 10 KICE COCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCC3)c2)SC1=S 102989918 LQFARLBQLPRECK-HAVVHWLPSA-N 554.719 4.171 10 10 KICE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCCOc4ccccc4C)c(Cl)c3)C(=N)N21 104561508 HHUOTIHTIWPNBR-NSNCLKJASA-N 533.031 4.118 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](CSCc3ccccc3)NC(=O)c3cccc(C)c3)CC2)cc1 1862286755 XLPDKARBHAIFCS-HHHXNRCGSA-N 503.668 4.384 10 10 KICE CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCCC1)=C(N)O2 1864012819 JZXCILDBSGXSEQ-QHCPKHFHSA-N 503.603 4.165 10 10 KICE Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1ccccc1OC(C)(C)C)[C@H]2c1ccc(O)c(O)c1 1864015307 ODHHZMGUPGSBCF-SFHVURJKSA-N 532.519 4.038 10 10 KICE C[C@H]1CCCN(C(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3-c3ccccc3)[C@@H]2c2ccc(O)c(O)c2)C1 1865031945 RVRSYHRJVNCEQW-LIRRHRJNSA-N 514.504 4.255 10 10 KICE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)N1CCCCC1)[C@@H]2c1ccc(O)c(O)c1 1865033908 KEXKQKVSLZLZQJ-JOCHJYFZSA-N 504.587 4.087 10 10 KICE Cc1cc(C(=O)N[C@@H](CSCc2ccccc2)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)n[nH]1 1866836847 ZXBZKZBARXYUEC-DEOSSOPVSA-N 524.602 4.164 10 10 KICE CCC[C@H](NC(=O)c1cc(C2CC2)n2nc(C)cc2n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867169953 UMNRPPWWUMFTII-QFIPXVFZSA-N 521.577 4.228 10 10 KICE CN(C)c1ccc([C@H](CNC(=O)C(C)(C)NC(=O)c2ccccc2Br)N2CCCCC2)cc1 1867378897 REABCZCXINSARY-QHCPKHFHSA-N 515.496 4.367 10 10 KICE CCOc1ccc(-c2nc(N3CCN(c4ccc(OC)cc4)CC3)cc(N3C[C@H](C)O[C@@H](C)C3)n2)cc1 1867998890 RXHQZIXVXBLGAY-VXKWHMMOSA-N 503.647 4.491 10 10 KICE CCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CC[C@H](c3ccc4c(c3)OCO4)C2)n1 1869229883 WDRSKNPADOLHPW-QFIPXVFZSA-N 501.631 4.487 10 10 KICE CCCOC(=O)c1ccc(CN2C(=O)C(NCCc3cnc[nH]3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873168767 IXMJPMHTLJTGTM-UHFFFAOYSA-N 551.647 4.496 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc([N+](=O)[O-])cc3)C(=O)N(CCCn3ccnc3)C2=O)cc1 1873423973 WEGWDWSCDDJSPV-UHFFFAOYSA-N 510.554 4.481 10 10 KICE Cc1cccn2c(=O)c(C=C3SC(=S)N(CC(C)C)C3=O)c(NCc3ccc4c(c3)OCO4)nc12 2296707884 VDIGEUWYHBPUPN-UHFFFAOYSA-N 508.625 4.201 10 10 KICE C[C@@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C3SC(N4CCOCC4)=NC3=O)c2)C1 2314479334 OFZHEBMJJQHJFI-OAQYLSRUSA-N 577.732 4.262 10 10 KICE Cc1c(N2C(=O)C(=Cc3c[nH]nc3-c3cccc([N+](=O)[O-])c3)SC2=S)c(=O)n(-c2ccccc2)n1C 2314486325 CFLLIEAZUGSWDH-UHFFFAOYSA-N 518.580 4.189 10 10 KICE CCn1c(N2CCCCCC2)c(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)c(C)c(C#N)c1=O 33813455 NVYZMXKVCVXCGO-HKWRFOASSA-N 516.689 4.275 10 10 KICE Cc1ccc(/C=C2\SC(=S)N(CC(=O)N(Cc3c(F)cccc3Cl)[C@H]3CCS(=O)(=O)C3)C2=O)cc1 101283055 JVPNZFFESPKDAS-QREGZJMFSA-N 553.102 4.205 10 10 KICE CCc1cccc(CC)c1N1C(=O)[C@H]2[C@H](C1=O)[C@@](C(=O)O)(c1ccccc1)N[C@H]2c1ccc(N(C)C)cc1 248015146 CUVCDINPKFLNCD-GURVGDRESA-N 511.622 4.308 10 10 KICE CN(C)c1ccc2c(c1)Oc1cc(N(C)C)ccc1C21OC(=O)c2ccc(C(=O)NCCOCCOCCOCCN=[N+]=[N-])cc21 642887026 FAQCSDPIOJBBED-UHFFFAOYSA-N 630.702 4.477 10 10 KICE Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(F)cc1)=C(N)O2 1864008480 LBZSIHRYZFMQPH-DEOSSOPVSA-N 534.975 4.438 10 10 KICE NC1=C(C(=O)NCc2ccncc2)[C@@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(Cc3ccccc3)c2O1 1864016405 OHCGQAOMRUOLGM-SANMLTNESA-N 545.599 4.416 10 10 KICE CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1F)=C(N)O2 1864018190 FGVCONAIRRWRCF-DEOSSOPVSA-N 532.547 4.194 10 10 KICE Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC1)=C(N)O2 1865028681 XUVUCBRRVRWMPJ-HXUWFJFHSA-N 501.370 4.216 10 10 KICE CCc1nn(CC)c2c1[C@@H](c1c(F)cccc1Cl)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865149153 CXQDBAKFIYYATA-XMMPIXPASA-N 540.039 4.310 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCCCOC(C)C)C(=O)N(CCCCN3CCCC3)C2=O)cc1 1873166039 ZPPKRDPXVMRYLZ-UHFFFAOYSA-N 506.691 4.455 10 10 KICE CCCn1c(C(=O)NCc2ccc(F)cc2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873572437 HHKDBYXLNCNKEQ-UHFFFAOYSA-N 502.594 4.246 10 10 KICE CCOc1cccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2CCN(c3ccc(OC)cc3)CC2)c1 1874642894 PUVUHYRKOVCIOL-LJAQVGFWSA-N 526.637 4.265 10 10 KICE CS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(OCCOc4ccc(Cl)cc4)c(Cl)c3)C(=O)N=C2S1 2297346301 TUCBXHGIOLRVIW-UHFFFAOYSA-N 539.422 4.072 10 10 KICE Cc1cccc(C)c1OCCOc1ccc(C=C2C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)cc1 2297468606 PFVXPFPGCULWLO-UHFFFAOYSA-N 531.638 4.393 10 10 KICE CCN1C(=O)C(=Cc2cn(CCOc3ccccc3C)c3ccc(Br)cc23)C(=O)NC1=S 2313623735 CBOKBOQSQPASEZ-UHFFFAOYSA-N 512.429 4.438 10 10 KICE CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(OC)cc3)N(CCCN3CCN(c4ccc(OC)cc4)CC3)C2=S)cc1 150396265 PUVQHTRFMXCNQQ-HKBQPEDESA-N 659.809 4.424 10 10 KICE O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C\c1cc(Br)c(N2CCCC2)o1 1084457443 SUZYUZBKPNTBOX-ZROIWOOFSA-N 525.222 4.236 10 10 KICE CCOC(=O)c1c(NC(=O)C(=O)NCCOc2ccc(OC)cc2)sc(C)c1-c1ccc(OCC)cc1 1860762572 KGVYZKOASLRGEX-UHFFFAOYSA-N 526.611 4.441 10 10 KICE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCC1)=C(N)O2 1864011902 ZWQSQUMQJMDKFI-XMMPIXPASA-N 518.614 4.388 10 10 KICE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC(C)C)=C(N)O2 1864013044 OWJBZEIPHMKLMO-HSZRJFAPSA-N 541.048 4.184 10 10 KICE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOc1ccccc1)=C(N)O2 1864017885 XRJJYCXBLJZYMX-XMMPIXPASA-N 547.011 4.389 10 10 KICE COc1ccc(CCOc2cn(CC(C)C)c(CN3CCN(c4ccc(OC)cc4)CC3)cc2=O)cc1 1870604189 AQIQWTQIQCRHQS-UHFFFAOYSA-N 505.659 4.465 10 10 KICE COCCCN1C(=O)C(Nc2ccc(CC(=O)OC)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873420340 LTHJZQMPFFOYIW-UHFFFAOYSA-N 501.583 4.038 10 10 KICE COc1ccc([C@@H]2[C@H](C(=O)N3CCN(c4ccc(OC)cc4)CC3)c3ccccc3CC(=O)N2C2CC2)cc1 1892028315 RGEXJEUGKFILSO-FIRIVFDPSA-N 525.649 4.425 10 10 KICE C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3/SC(=S)N(C)C3=O)c2)C[C@@H](C)O1 1879334 HWPPJWYZIJNTIA-JDQAAXRKSA-N 554.719 4.168 10 10 KICE NS(=O)(=O)c1ccc(N2N=C(C(F)(F)F)/C(=C\c3ccc(OCc4ccccc4)cc3)C2=O)cc1 59396415 AVFOSCKNODICTN-KGENOOAVSA-N 501.486 4.262 10 10 KICE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)nc12 109944552 RBTXOIOHDLJUIR-WPWMEQJKSA-N 611.749 4.455 10 10 KICE C=CCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CCC)c2N2CCN(c3ccc(F)cc3)CC2)SC1=S 110527160 OAJWKENOTRNGPL-KQWNVCNZSA-N 537.686 4.291 10 10 KICE COc1ccc(C2=C(O)C(=O)N(c3cc(OC)c(OC)c(OC)c3)[C@@H]2c2ccc(O)c(O)c2)cc1OC 526632355 KOIINBIEEYVEMQ-XMMPIXPASA-N 509.511 4.198 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)c3cccc(OCC(C)C)c3)CC2)cc1 1862256182 XBYSETFGYPFHQK-GDLZYMKVSA-N 515.654 4.420 10 10 KICE CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCC1)=C(N)O2 1865030941 VRKMIMHAXTYEBZ-QHCPKHFHSA-N 506.578 4.141 10 10 KICE NC1=C(C(=O)N2CCCCCC2)[C@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3ccccc3)c2O1 1865031367 FJJWCOVCFKTCND-LJQANCHMSA-N 514.504 4.400 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCN[C@@H](c5cn(C)c6ccccc56)C4=O)nc(-c4cccnc4)n3)CC2)cc1 1869374625 KXOSCPFOYDVAED-HKBQPEDESA-N 574.689 4.043 10 10 KICE CCOCCCn1cc(OCCOc2ccccc2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870599299 SASRXKHKKYIDNJ-UHFFFAOYSA-N 521.658 4.064 10 10 KICE CCCCN1C(=O)C(=Cc2c(N3CCN(c4ccccc4F)CC3)nc3ccc(C)cn3c2=O)SC1=S 2296331095 PIHNCBFOCBRYHK-UHFFFAOYSA-N 537.686 4.470 10 10 KICE COc1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)ccc1OCCCOc1ccc(C)cc1C 2296562492 YSZVLKAUCLIOKY-UHFFFAOYSA-N 504.539 4.415 10 10 KICE Cc1cccn2c(=O)c(C=C3SC(=S)N(C(C)C)C3=O)c(N3CCN(c4ccc(F)cc4)CC3)nc12 2296732212 JAMKRUHHPSOXFQ-UHFFFAOYSA-N 523.659 4.078 10 10 KICE COc1ccc(C(=O)NN2C(=O)C(=Cc3ccc(OCC(=O)Nc4ccccc4)c(OC)c3)SC2=S)cc1 2297560975 BZASUIHTRFMCRO-UHFFFAOYSA-N 549.630 4.268 10 10 KICE COc1cc2c3c(c1)C(=C1SC(=S)NC1=O)C(=O)N3C(C)(C)C=C2CN1CCN(c2ccccc2F)CC1 2297632349 ZEXHTTFSQYSPMF-UHFFFAOYSA-N 550.681 4.038 10 10 KICE O=C(O)CC[C@H](C(=O)O)N1C(=O)/C(=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(F)cc2)SC1=S 101965231 VNCBYGFHDXIXDM-LTKMBJGESA-N 552.989 4.016 10 10 KICE COc1cc(/C=C2\C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)ccc1OCc1ccc(F)cc1 102470840 ADJNRYAUUYDOKW-UNJPEWJUSA-N 521.574 4.045 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 254883469 HMNHLAZYEXFZON-HHHXNRCGSA-N 572.643 4.341 10 10 KICE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NCc1ccccc1OC)[C@H]2c1ccc(O)c(O)c1 1864017260 IWAYMRNEJJDRQI-DEOSSOPVSA-N 542.592 4.009 10 10 KICE CCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@H](C)C1)=C(N)O2 1865035923 BQFWLWGWZMCFNX-FIAZIHOUSA-N 540.620 4.330 10 10 KICE O=C(N[C@H](Cc1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cccc(Cl)n1 1866566444 FUIOOOIXWAPANG-HSZRJFAPSA-N 509.949 4.490 10 10 KICE CC(=O)Oc1ccc(C[C@@H](NC(=O)Cc2sc(C)nc2C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 1866571141 URHBFUVXHXLBIE-AREMUKBSSA-N 581.650 4.369 10 10 KICE CCC[C@H](NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867843912 FIKWXWMWFCBXNI-JYFHCDHNSA-N 554.648 4.119 10 10 KICE CCC[C@@H](NC(=O)CCc1csc(-c2ccccc2)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868906342 QLSSLEPWIDGHMZ-RUZDIDTESA-N 506.672 4.385 10 10 KICE COCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CC2CCC(C(=O)OC(C)C)CC2)C1=O 1873164997 CDKFBVGAPLKLGD-UHFFFAOYSA-N 521.658 4.168 10 10 KICE COCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCOc2cc(C)cc(C)c2)C1=O 1873165636 NWUXCHJMINIXGS-UHFFFAOYSA-N 501.627 4.496 10 10 KICE COCCn1c(C(=O)NCCC2=CCCCC2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873592517 JJMCZRJPKRYVGR-UHFFFAOYSA-N 518.662 4.033 10 10 KICE CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2C=C2SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1 2296848619 MAGNIAXBDMIADW-KRWDZBQOSA-N 555.703 4.173 10 10 KICE Cc1cc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N(CCS(=O)(=O)O)C2=O)cc2c1O[C@@H](C)C2 2297498393 XVMCRFJXTZSRQV-INIZCTEOSA-N 541.676 4.260 10 10 KICE CCCCCNc1nc2ccc(C)cn2c(=O)c1C=C1SC(=S)N(CCCCCC(=O)O)C1=O 2314400622 OLVKUQULWKGEHM-UHFFFAOYSA-N 502.662 4.451 10 10 KICE CCOCCCN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3ccc(C)c(C)c3)c3ccccc32)SC1=S 2533380 FZFYOPQCWBMGNC-GHVJWSGMSA-N 509.653 4.287 10 10 KICE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CCCc4ccccc4)C3=O)c(N3CCSCC3)nc12 33934008 ZICISAJHQDPOAH-HEHNFIMWSA-N 522.721 4.390 10 10 KICE CCOC(=O)[C@@](CCCN1C(=O)c2ccccc2C1=O)(N=Nc1cc2c(C)cc(=O)oc2cc1C)C(C)=O 254894720 LSNRJBPBMOIRBV-NDEPHWFRSA-N 517.538 4.461 10 10 KICE CCCOc1cccc(C2=C(O)C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@H]2c2ccc(N(C)C)cc2)c1 526312818 XOGDSVHHIDUKRR-VWLOTQADSA-N 507.612 4.246 10 10 KICE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1F)=C(N)O2 1864012018 PGCITBASSNNZBK-DEOSSOPVSA-N 534.975 4.455 10 10 KICE C[C@@H](NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccn2)[C@H]1c1ccc(O)c(O)c1)c1ccccc1 1864021601 DGJVJLWROCDTMQ-JLTOFOAXSA-N 537.498 4.269 10 10 KICE Cc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOc3ccccc31)=C(N)O2 1865027745 KIKIVGCNBKVDCK-XMMPIXPASA-N 530.968 4.366 10 10 KICE CCc1nn(C)c2c1[C@H](c1c(Cl)cccc1Cl)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865177515 VMJGHFYYKDRYLD-QHCPKHFHSA-N 542.467 4.341 10 10 KICE CSCC[C@H](NC(=O)C[C@H]1CC(=O)c2ccccc21)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867242013 SPOJRMZDPXNLEZ-OSPHWJPCSA-N 526.614 4.399 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)Cc3nc(-c4ccc(F)cc4)oc3C)CC2)cc1 1868645754 YVHVGJGNQDIUDQ-LJAQVGFWSA-N 572.637 4.122 10 10 KICE CCOCCCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(CCc2ccccc2)C1=O 2297460059 JEOMYXVYLOCWQD-UHFFFAOYSA-N 508.669 4.285 10 10 KICE Cc1ccc2nc(N3CCC(C)CC3)c(/C=C3\SC(=S)N(CCCCCC(=O)O)C3=O)c(=O)n2c1 33451863 CJCQFEUFEPLKOC-RGEXLXHISA-N 514.673 4.085 10 10 KICE CCCn1c(NCCc2ccccc2)c(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c(C)c(C#N)c1=O 40066726 QXEQWRLHSYJCAC-QKYYUXOMSA-N 522.696 4.473 10 10 KICE Cc1ccc(/C=C\c2onc(C)c2S(=O)(=O)N2CCC(C(=O)NCc3ccc(N(C)C)cc3)CC2)cc1 96839291 OTNJIZBADJCIDK-KAMYIIQDSA-N 522.671 4.245 10 10 KICE O=C(O)C[C@H](C(=O)O)N1C(=O)/C(=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(Cl)cc2)SC1=S 101965098 MBFQVOHVKKYMAG-TUBDAXHVSA-N 555.417 4.140 10 10 KICE COc1cc(/C=C2\C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)ccc1OCc1cccc(C)c1 102472289 MHKFCXFRLVNZSS-WJQQQHEKSA-N 517.611 4.214 10 10 KICE COc1ccc(CCN2C(=O)/C(=C/c3c(N4CCCCC4)nc4ccc(C)cn4c3=O)SC2=S)cc1OC 105762722 RFOCMTKGHZRHNC-KQWNVCNZSA-N 550.706 4.454 10 10 KICE COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c1C 1084574443 ADLULYQJZWLQDY-ODLFYWEKSA-N 539.342 4.440 10 10 KICE NC1=C(C(=O)N2CCCCCC2)[C@@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3ccccn3)c2O1 1865031904 QXINSKWYGPKXIK-DEOSSOPVSA-N 523.593 4.443 10 10 KICE CCC[C@H](NC(=O)Cc1ccc2nc(O)c(C)cc2c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866914947 RXMYBHMRNPUFIA-VWLOTQADSA-N 521.573 4.490 10 10 KICE CN(C)c1ccc([C@@H](CNC(=O)CNC(=O)c2ccccc2C(=O)c2ccccc2)N2CCCCC2)cc1 1867543331 QJJDWYUBUINFLN-MUUNZHRXSA-N 512.654 4.057 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)Cc3csc(COc4ccccc4)n3)c3ccccc3)CC2)cc1 1868595212 HGRZGPBJWIYHAY-SSEXGKCCSA-N 556.688 4.480 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)[C@@H](c3ccc(OC)c(OC)c3)C(C)C)CC2)cc1 1868864682 YWRZCFYCPGTOAL-RPLLCQBOSA-N 543.730 4.039 10 10 KICE COc1ccc(N2CCN(c3cc(N(C(=O)[C@@H]4CCCN4)c4cc(C)on4)nc(-c4ccc(F)cc4)n3)CC2)cc1 1869267038 NHYTUZJIUABBQK-VWLOTQADSA-N 557.630 4.331 10 10 KICE CC[C@H](C)c1ccccc1OCCOc1ccc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc1 101397479 HKKNEDYUCFEMDC-RARAFIHZSA-N 526.640 4.279 10 10 KICE CCOCCOC(=O)c1ccc(N2C(=O)C(O)=C(c3ccc(OC)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1 526565779 MJHPGDOQUCEPMB-VWLOTQADSA-N 505.523 4.357 10 10 KICE CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccnc1)=C(N)O2 1864011563 VHTKZTIJKNIBJC-QHCPKHFHSA-N 532.000 4.295 10 10 KICE CCCc1nn(CCC)c2c1[C@H](c1cccc(F)c1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865547575 LWCPUOSTOZPDAA-VWLOTQADSA-N 533.648 4.437 10 10 KICE COc1cc(C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc(OC)c1OC 1867339217 JUBOXEMHTORPNU-FQLXRVMXSA-N 604.748 4.169 10 10 KICE CSCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccn1)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867479270 GUTLEBWHIWTWIN-CONSDPRKSA-N 642.826 4.139 10 10 KICE CN(C)c1ccc([C@H](CNC(=O)[C@@H](Cc2ccccc2)N2C(=O)c3ccc(C(=O)O)cc3C2=O)N2CCCCC2)cc1 1868025085 KEKBBYICXVITGB-WDYNHAJCSA-N 568.674 4.002 10 10 KICE CC[C@H](NC(=O)Cc1nc(-c2cccc(Cl)c2)oc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868648300 MRXOSMSXYSDXQF-QHCPKHFHSA-N 511.022 4.098 10 10 KICE C[C@H]1C[C@H](C)CN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)C1 100886102 FTMMPSOLINHEJK-DRYMOHHNSA-N 534.663 4.307 10 10 KICE CCOc1cc(/C=C2\C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)ccc1OCC(=O)Nc1ccccc1C(=O)OC 101573022 SQIPLCGZRJNYLX-HAHDFKILSA-N 557.559 4.394 10 10 KICE CCOC(=O)[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(OCC(=O)N(CC)CC)c(OC)c2)SC1=S 101738376 SMKJIXNGWOCUFQ-KZVLXBEFSA-N 542.679 4.448 10 10 KICE O=C(NCc1ccccc1O)c1cc(I)cc(I)c1I 706256141 SALYILJBBUKISF-UHFFFAOYSA-N 604.951 4.136 10 10 KICE CC(C)CCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(F)c2)[C@@H]1c1ccc(O)c(O)c1 1864015064 IXAIZZMXZOOYIQ-IBGZPJMESA-N 534.510 4.357 10 10 KICE COC(=O)c1c(NC(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)sc(C)c1-c1ccc(C)c(C)c1 1865943264 KIOPOAYCKCFTGY-UHFFFAOYSA-N 512.609 4.446 10 10 KICE CCCC[C@@H](NC(=O)CS(=O)(=O)c1cccc(Cl)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866884170 MIAURIPFRDHVDX-HSZRJFAPSA-N 553.036 4.203 10 10 KICE CC(=O)Oc1ccc(C[C@H](NC(=O)C[C@H]2CCCCO2)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 1867248627 NGRAJSWSULCDGZ-AMGIVPHBSA-N 554.599 4.013 10 10 KICE COc1cccc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867385447 FCCAVVBDTXEPMP-KYJUHHDHSA-N 544.696 4.151 10 10 KICE CC[C@H](NC(=O)[C@H](c1ccc(Br)cc1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868854853 MNSVFXWBIKYWSG-ZEQRLZLVSA-N 516.480 4.441 10 10 KICE COc1ccc(N2CCN(Cc3cc(=O)c(OCCCc4ccccc4)cn3C[C@H]3CCCO3)CC2)cc1 1870689234 ZXAWHDWZDKTLET-GDLZYMKVSA-N 517.670 4.370 10 10 KICE CC[C@H](C)NC(=O)COc1cn(CCCN(C)C)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870961547 ZIGKNECNDIFHSN-QFIPXVFZSA-N 505.663 4.449 10 10 KICE CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OCCOc4cc(C)cc(C)c4)c(Cl)c3)C(=N)N21 2297345495 BRKHQUXJCCDMOX-UHFFFAOYSA-N 547.058 4.426 10 10 KICE COc1cccc(OCCOc2c(Br)cc(C=C3C(=N)N4OC(C)=CC4=NC3=O)cc2OC)c1 2297347396 ACFILTAPCOAYBW-UHFFFAOYSA-N 528.359 4.374 10 10 KICE CCOc1ccc(C=CC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 2330601877 RMSWOKYOGHHEBY-LJAQVGFWSA-N 513.638 4.183 10 10 KICE COCCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(C(=O)O)cc3C)c2C)C(=O)N(c2ccccc2)C1=O 33567351 RWJAZBHXEOBUOC-XQNSMLJCSA-N 501.539 4.126 10 10 KICE COc1ccc(C2=NN(C(=O)CN3C(=O)C(=O)c4cc(Cl)ccc43)[C@H](c3ccc(N(C)C)cc3)C2)cc1 72413247 XOERDNSTWDBNQE-VWLOTQADSA-N 516.985 4.322 10 10 KICE COc1ccc(NC(=O)CN2C(=O)/C(=C3/SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c3ccccc32)cc1 102679464 LFKZEURPENWKKS-IMVLJIQESA-N 611.705 4.254 10 10 KICE CCOC(=O)c1c(NC(=O)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)sc2c1CCCC2 1860741393 JNOVJLFRFRUBOR-UHFFFAOYSA-N 502.548 4.156 10 10 KICE CCOC(=O)c1c(NC(=O)C(=O)Nc2ccc(N3CCN(C)CC3)cc2)sc(C)c1-c1ccccc1 1860747605 PSIWLSJQDCJXNH-UHFFFAOYSA-N 506.628 4.229 10 10 KICE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)N[C@@H]1CCCC[C@@H]1C)[C@@H]2c1ccc(O)c(O)c1 1864017315 JOOYAVBIVSYUPO-LERMDLETSA-N 518.614 4.379 10 10 KICE CCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)c1ccc(OC)cc1)=C(N)O2 1864019963 SKONINBWWYHAMA-HFJWLAOPSA-N 540.620 4.486 10 10 KICE CCCn1nc(CC)c2c1OC(N)=C(C(=O)NCc1ccc(OC(C)(C)C)cc1)[C@@H]2c1ccc(O)c(O)c1 1864022416 VYVTUIVVNXKGTN-HSZRJFAPSA-N 520.630 4.455 10 10 KICE CCCCN(CC)C(=O)C1=C(N)Oc2c(c(CC)nn2Cc2cccc(F)c2)[C@@H]1c1ccc(O)c(O)c1 1865035637 YDIHHFMRKGKRGP-QHCPKHFHSA-N 508.594 4.387 10 10 KICE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4CC(C)C)[C@H]3c3c[nH]c4ccccc34)CC2)cc1 1865367644 SVKNZNOOBLZMTR-HHHXNRCGSA-N 540.668 4.381 10 10 KICE COC(=O)c1c(NC(=O)[C@@H](CCC(N)=O)NC(=O)OCc2ccccc2)sc(C)c1-c1ccccc1 1866116081 DWUUAQDQEMBISP-LJQANCHMSA-N 509.584 4.009 10 10 KICE CC(=O)Oc1ccc(C[C@@H](NC(=O)c2cccc(OC(C)=O)c2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867300936 AFCIZMONJPCEDM-SAIUNTKASA-N 614.743 4.288 10 10 KICE CCOc1ccc(-c2nc(N3CCN(c4ccc(OC)cc4)CC3)cc(N3CCC4(CC3)OCCO4)n2)cc1 1867997109 XJQZDMMJSCUDRI-UHFFFAOYSA-N 531.657 4.221 10 10 KICE CCCC[C@@H](NC(=O)Cc1nc(-c2cccc(F)c2)oc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868640241 GRBWVRHNVWNCDL-RUZDIDTESA-N 522.621 4.364 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCO[C@H](c5cccnc5)C4)nc(-c4ccccc4)n3)CC2)cc1 1869204282 CYVUTNBNZDGWIR-MHZLTWQESA-N 508.626 4.452 10 10 KICE COc1ccc(N2CCN(c3nc(=NCc4ccccc4Cl)nc(Nc4ccc(O)cc4)[nH]3)CC2)cc1 1871719912 LZEXPLFCBDKEQC-UHFFFAOYSA-N 518.021 4.343 10 10 KICE Cc1cc(C)cc(OCCNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCc3cnc[nH]3)C2=O)c1 1873168820 KMHPKWOTJREZGV-UHFFFAOYSA-N 523.637 4.425 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3cccc([N+](=O)[O-])c3)C(=O)N(CCCn3ccnc3)C2=O)cc1 1873424081 YMTNNVXCWOYAQW-UHFFFAOYSA-N 510.554 4.481 10 10 KICE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CCN(c2ccc(CN)c(Br)c2F)CC1 2227915304 AFSAGQBUEJJOKF-UHFFFAOYSA-N 531.467 4.341 10 10 KICE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OCc1ccc2c(c1)OCO2 2313557691 JSODALFCWQWKMN-UHFFFAOYSA-N 504.470 4.199 10 10 KICE CC[C@@H](Oc1ccccc1C=C1SC(=S)N(NC(=O)c2ccc(Br)cc2)C1=O)C(=O)O 2314933698 XCCHNVSBRLCZHJ-OAHLLOKOSA-N 521.414 4.237 10 10 KICE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(NCC(C)C)nc12 34262226 FRNTUKAKAOSTBJ-KEBDBYFISA-N 508.625 4.201 10 10 KICE CCCCn1c(NCCc2ccccc2)c(/C=C2\SC(=S)N(CCC(=O)O)C2=O)c(C)c(C#N)c1=O 40066929 UTEONYMZMWHSQP-QNGOZBTKSA-N 524.668 4.159 10 10 KICE CCc1ccccc1OCCOc1ccc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC)cc1Cl 104561661 JNKMRFPBQBHUPI-VUJLKEPGSA-N 547.058 4.372 10 10 KICE CCCn1c(N2CCN(Cc3ccccc3)CC2)c(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c(C)c(C#N)c1=O 110525186 CNBKNMSHWDZKCP-ZVSVJSTQSA-N 577.776 4.141 10 10 KICE CCCn1c(N2CCN(c3ccccc3F)CC2)c(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c(C)c(C#N)c1=O 110526934 NBNZNKCZABEAJN-HBAFHOPNSA-N 581.739 4.284 10 10 KICE Cc1cc(C)cc(Oc2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(CCCC(=O)O)C2=O)c1 213197876 WHVLWJACBOADOF-UYRXBGFRSA-N 509.609 4.478 10 10 KICE COc1ccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3-c3ccccc3Cl)[C@@H]2c2ccc(O)c(O)c2)cc1 1864008678 PLSWTQBPKPSGCQ-DEOSSOPVSA-N 532.984 4.265 10 10 KICE NC1=C(C(=O)NC2CCCC2)[C@@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3ccccc3)c2O1 1864014755 BQJNKTPGSLPDGN-SFHVURJKSA-N 500.477 4.056 10 10 KICE CC(C)NC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(F)cc2)[C@H]1c1ccc(O)c(O)c1 1864016210 JONPVELKISLTMD-HSZRJFAPSA-N 514.557 4.368 10 10 KICE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCC(C)C)=C(N)O2 1864018548 NPEAWMFYQZTFBQ-JOCHJYFZSA-N 511.022 4.415 10 10 KICE CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C)CC1)=C(N)O2 1865030920 UUYVSJLMCRPRKU-DEOSSOPVSA-N 520.605 4.387 10 10 KICE CCCOc1ccccc1[C@@H]1C(C(=O)N2CCN(c3ccc(OC)cc3)CC2)=C(N)Oc2c1c(C)nn2CCC 1865449146 YDTGXHNOBMMFMA-MHZLTWQESA-N 545.684 4.442 10 10 KICE CC(=O)NCCN1C(=O)C(Nc2cccc(C(F)(F)F)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422420 WQSCAYOQPVXDSK-UHFFFAOYSA-N 510.516 4.441 10 10 KICE Cc1ccc(COc2ccc(/C=C3\C(=N)N4N=C(CC(=O)N5CCOCC5)SC4=NC3=O)cc2Cl)cc1 103231863 OWLUWOBUZXZRRZ-UNJPEWJUSA-N 538.029 4.095 10 10 KICE CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CCc1ccncc1)=C(N)O2 1865029895 XVWODJANYVCNQV-SANMLTNESA-N 539.636 4.417 10 10 KICE CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1c[nH]c2ccccc12 1865371529 KKPPJCUOYHRVAZ-SANMLTNESA-N 540.668 4.389 10 10 KICE CC(=O)Oc1ccc(C[C@@H](NC(=O)c2cccc(Cl)n2)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 1866567749 YPDAGTQZZBIYBF-RUZDIDTESA-N 567.985 4.416 10 10 KICE CC(C)c1ccc([C@@H](C(=O)N[C@@H](CO)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C(C)C)cc1 1866960336 FOKOOKZZHINWPU-UIOOFZCWSA-N 512.606 4.441 10 10 KICE CCCOC(=O)c1ccc(CN2C(=O)C(NCCCN(C)C)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873166015 YIZJEEZMRKJVLQ-UHFFFAOYSA-N 542.680 4.482 10 10 KICE COc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C[C@H]3CCCO3)C2=O)c([N+](=O)[O-])c1 1873418997 KTRWGPBZQVXXRD-JOCHJYFZSA-N 516.554 4.382 10 10 KICE CCCCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O 2297458980 JBDQFJFXHIVCSX-UHFFFAOYSA-N 508.625 4.345 10 10 KICE Cc1c(/C=C2/SC(=S)N(C3CCCCC3)C2=O)c(N2CCN(Cc3ccccc3)CC2)n(C)c(=O)c1C#N 105468728 APKYHDUAZXLSIK-KOEQRZSOSA-N 547.750 4.422 10 10 KICE O=C1/C(=C\c2c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccccc1 109287948 PMCGLOWVBLWPMQ-YZSQISJMSA-N 597.722 4.147 10 10 KICE CCOC(=O)COc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1Br 1084567142 XFXBIMVQKKMNBZ-AUWJEWJLSA-N 586.620 4.473 10 10 KICE NC1=C(C(=O)NC2CCCC2)[C@@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(Cc3cccc(F)c3)c2O1 1864015456 RQIWROOFRCPWOC-IBGZPJMESA-N 532.494 4.254 10 10 KICE COc1ccc(CCNC(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3CC(C)C)[C@H]2c2ccc(O)c(O)c2)cc1 1864022292 LHTGVYNQRLSXEB-HXUWFJFHSA-N 546.546 4.031 10 10 KICE CCc1nn(CC(C)C)c2c1[C@H](c1ccccc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865027631 OSFUMTIYBPNAFE-VWLOTQADSA-N 515.658 4.154 10 10 KICE CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1cccc(OCC)c1 1865247152 MERJOTBVIRHGEJ-AREMUKBSSA-N 531.657 4.052 10 10 KICE COc1cc(C=C2C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)ccc1OCc1ccc(C)cc1 2296055625 LVWUYDJVUUEWNU-UHFFFAOYSA-N 517.611 4.214 10 10 KICE Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccco4)C3=O)c(N3CCN(Cc4ccccc4)CC3)nc12 2296698701 GNVYWFYDTHMUJO-UHFFFAOYSA-N 557.701 4.320 10 10 KICE COc1ccc(N2CCN(c3nc4ccccn4c(=O)c3C=C3SC(=S)N(Cc4ccco4)C3=O)CC2)cc1 2296707939 ZHOZPBWGQBLACM-UHFFFAOYSA-N 559.673 4.024 10 10 KICE Cc1ccc2nc(NCCCn3ccnc3)c(C=C3SC(=S)N(CCc4ccccc4)C3=O)c(=O)n2c1 2297312760 JZDIHSQOIZRKSU-UHFFFAOYSA-N 530.679 4.146 10 10 KICE CCOc1cc(C=C2C(=N)N3N=C(S(=O)(=O)CC)SC3=NC2=O)ccc1O[C@@H](C)c1ccccc1 2297346238 OUECNPFFKXDSID-HNNXBMFYSA-N 512.613 4.237 10 10 KICE Cc1ccc(C(C)C)c(Oc2nc3ccccn3c(=O)c2/C=C2/SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)c1 101061949 PYRPJDIZHDXEBA-RSZPVBOMSA-N 555.703 4.307 10 10 KICE Cc1ccc2nc(N3CCC[C@H](C)C3)c(/C=C3\SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(=O)n2c1 110078126 QBTBWDAOEKADHC-VBHHZLGVSA-N 534.663 4.369 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)cc3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br 252674494 SFEIRYWYNMILNK-SANMLTNESA-N 614.562 4.424 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 254870703 DJZIJRVYZZFKCH-SANMLTNESA-N 558.616 4.033 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4cccc(C(=O)OCC)c4)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 725391000 YAXRESCDCVWZOM-NDEPHWFRSA-N 585.682 4.301 10 10 KICE O=C1c2ccccc2C(=O)c2cc(NC(=O)C3CCN(C(=O)COc4ccc(Cl)cc4)CC3)ccc21 1860589387 DQSGBIBVQSTMRZ-UHFFFAOYSA-N 502.954 4.372 10 10 KICE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCOc3ccccc31)[C@@H]2c1ccc(O)c(O)c1 1865034085 ONEDKOCJAARYCJ-LJQANCHMSA-N 530.503 4.089 10 10 KICE CCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1C)=C(N)O2 1865035313 QLBLSAPPLHYIFW-WAIKUNEKSA-N 506.578 4.140 10 10 KICE CSCC[C@H](NC(=O)[C@H]1CCCN1Cc1ccccc1F)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866921173 YILKPVVDYKXTRZ-IZZNHLLZSA-N 559.663 4.442 10 10 KICE CCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N([C@@H](CC(C)C)C(=O)O)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867471297 DXCDYFBYUCHLLD-OIFRRMEBSA-N 633.790 4.090 10 10 KICE Cc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCNC(=O)[C@H]2c2cn(C)c3ccccc23)n1 1868481411 TWOMFTVZTUABQT-GDLZYMKVSA-N 542.599 4.473 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)CCc3csc(-c4ccccc4)n3)C(C)C)CC2)cc1 1868900219 NUQBPYKQBZBIQY-SANMLTNESA-N 506.672 4.241 10 10 KICE COCCc1nc(N2CCC(c3nc(C)c(C)s3)CC2)cc(N2CCN(c3ccc(OC)cc3)CC2)n1 1869109074 MECDSZJDLDPXAS-UHFFFAOYSA-N 522.719 4.458 10 10 KICE COc1ccc(N2CCN(c3nc(=NCc4ccc(O)cc4)nc(Nc4ccc(C)c(C)c4)[nH]3)CC2)cc1 1871527783 HTQBUJWYKNFYGS-UHFFFAOYSA-N 511.630 4.307 10 10 KICE COc1ccc(N2CCN(CCC(=O)c3ccc(NC(=O)COc4ccccc4OC)cc3)CC2)cc1 1874754016 HLCJWEICEBTRNI-UHFFFAOYSA-N 503.599 4.116 10 10 KICE CCN1CCN(c2nc3ccc(C)cn3c(=O)c2C=C2SC(=S)N([C@H](C)c3ccccc3)C2=O)CC1 2297312648 JFXLXGFAHSWJGR-LJQANCHMSA-N 519.696 4.107 10 10 KICE COC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(C)C)c(Br)c3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 252676460 XDOUIMCIFZEDMR-DEOSSOPVSA-N 554.510 4.360 10 10 KICE CCCc1ccc(OCC(=O)N[C@H](Cc2ccccc2)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1862208831 XSZKROKVIUKISN-GDLZYMKVSA-N 515.654 4.103 10 10 KICE COc1ccc([C@H](C)NC(=O)C2=C(N)Oc3c(c(C)nn3Cc3ccccc3F)[C@H]2c2ccc(O)c(O)c2)cc1 1864009201 CCSGRJSYSVCQSN-YHAMSUFESA-N 544.583 4.371 10 10 KICE NC1=C(C(=O)NC2CCCCC2)[C@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3ccccc3)c2O1 1864015451 RMMQQZQNCSVTPN-LJQANCHMSA-N 514.504 4.446 10 10 KICE CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(Cc3ccccc3C)CC1)=C(N)O2 1865030425 JPBQLNOROMZWBA-SANMLTNESA-N 545.684 4.004 10 10 KICE CCCCc1ccc(Nc2nc(=NC[C@@H]3CCCO3)nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]2)cc1 1871503069 WZJWYMFPINDDOG-SANMLTNESA-N 517.678 4.306 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)Cc3cc(C)ccc3C)CC2)cc1 1874642720 LNONGCJTPAMIPR-SSEXGKCCSA-N 524.665 4.412 10 10 KICE O=C1NC(=O)N(c2cccc(Br)c2)C(=O)C1=Cc1cc(I)c(O)c(I)c1 2294124619 HEDYSQFXIPUIKB-UHFFFAOYSA-N 638.981 4.030 10 10 KICE CC[C@H](C)N1C(=O)C(=Cc2c(N3CCN(c4ccc(OC)cc4)CC3)nc3ccccn3c2=O)SC1=S 2296696660 IBODOQVJHLXDFF-SFHVURJKSA-N 535.695 4.029 10 10 KICE CCc1nn2c(=O)cc(COc3ccc(C=C4C(=N)N5N=C(C6CCCCC6)SC5=NC4=O)cc3)nc2s1 2297350714 CRYMXXMNCLFQEF-UHFFFAOYSA-N 547.666 4.492 10 10 KICE CCOC(=O)C1CCN(C2=NC(=O)C(=Cc3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N(C)C)c3)S2)CC1 2314475718 BAIGSBBHMMGCEF-UHFFFAOYSA-N 593.731 4.035 10 10 KICE O=C1C(=Cc2ccc(F)cc2)SC(=S)N1CCC(=O)N(Cc1ccc(N2CCCCC2)o1)[C@@H]1CCS(=O)(=O)C1 2314829274 UUEQVRAZTIKRPE-OAQYLSRUSA-N 591.752 4.216 10 10 KICE CCOC(=O)N1CCN(c2nc3ccc(C)cn3c(=O)c2/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)CC1 105451019 CRDPSNISBFIUHH-ODENVGOISA-N 563.705 4.244 10 10 KICE CCOC(=O)C1=C(C)N=c2s/c(=C/C(Br)=C/c3ccccc3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 105537518 DKXBSABTBCBUJL-SNJKCZKCSA-N 552.494 4.252 10 10 KICE Cc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(N(C)C)cc4)N[C@](Cc4ccc([N+](=O)[O-])cc4)(C(=O)O)[C@@H]3C2=O)cc1Cl 248043724 LPGSDSYZOYJGBN-MGQBIDJDSA-N 563.010 4.139 10 10 KICE C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)CN2C(=O)/C(=C\c3ccc(Cl)cc3)SC2=S)[C@H]2CCS(=O)(=O)C2)o1 1615296202 LRELHISQNTZOOJ-MHXJAFHZSA-N 565.138 4.474 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)COc3c(C)ccc(C)c3C)CC2)cc1 1862198933 CWBZKMFAAQBTCS-MUUNZHRXSA-N 515.654 4.076 10 10 KICE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NCc1cccs1)[C@@H]2c1ccc(O)c(O)c1 1864017506 NWTLBNRYJMTSQW-JOCHJYFZSA-N 532.622 4.452 10 10 KICE CCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@H](C)C1)=C(N)O2 1865032628 HFRGPJSSWUJQHR-MHPIHPPYSA-N 516.642 4.413 10 10 KICE CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1cccc(OCC)c1 1865251268 PWWNNLQPZYVDOF-AREMUKBSSA-N 545.684 4.306 10 10 KICE Cc1nc2ccc(C(=O)NC(C)(C)C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2nc1C 1867687446 YIYTUCZFWAGYBD-MHZLTWQESA-N 516.690 4.164 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3cc(C)n(-c4ccc(Br)cc4)n3)C(C)C)CC2)cc1 1868763243 ZEKWGSQXHPFEEV-RUZDIDTESA-N 554.489 4.055 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)C[C@H](C)c3cccc(Cl)c3)CC2)cc1 1868995775 VJQQRIJZQDAWPB-YADARESESA-N 504.096 4.429 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3cnc[nH]3)C(=O)N(CCc3cn(C)c4ccccc34)C2=O)cc1 1873169008 UJXQREALNBGIRZ-UHFFFAOYSA-N 532.648 4.464 10 10 KICE O=C(O)CCCCCN1C(=O)C(=Cc2c(NCCc3ccccc3)nc3ccccn3c2=O)SC1=S 2296697691 AVWDZTAIFWKUBZ-UHFFFAOYSA-N 522.652 4.195 10 10 KICE CCOc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OC(=O)c1ccc(C(C)C)cc1 2297345218 CXPHPKAFMQHBHG-UHFFFAOYSA-N 540.623 4.049 10 10 KICE COc1ccc(CCN2C(=O)C(=Cc3c(N4CCCCC4)nc4ccc(C)cn4c3=O)SC2=S)cc1 2297461408 LSZYNSPLRDCTNF-UHFFFAOYSA-N 520.680 4.446 10 10 KICE Cc1cc(N2C(=O)NC(=O)C(=Cc3c(C)nn(-c4ccc([N+](=O)[O-])cc4)c3C)C2=O)c(C)cc1Br 2313548035 JKKMFMAHKRCJDI-UHFFFAOYSA-N 538.358 4.443 10 10 KICE CC(=O)N1N=C(c2ccc(I)o2)O[C@@H]1/C(=C/c1ccc(N(C)C)cc1)NC(=O)c1ccccc1 33355860 VIJQSKYTMZHSNT-AUCVXZHOSA-N 570.387 4.288 10 10 KICE CCCn1c(N2C[C@H](C)O[C@H](C)C2)c(/C=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c(C)c(C#N)c1=O 110527879 KSVVNUNLOAROAF-ZOLBUAMYSA-N 618.785 4.256 10 10 KICE COc1ccc(CCN2C(=O)/C(=C/c3nc(C#N)c(N4CCN(Cc5ccccc5)CC4)o3)SC2=S)cc1OC 213217625 GJNYBQRTKXBIPV-UQQQWYQISA-N 575.716 4.330 10 10 KICE Cc1cc(N2C(=O)NC(=O)/C(=C/c3c(C)nn(-c4ccc([N+](=O)[O-])cc4)c3C)C2=O)c(C)cc1Br 1083942055 JKKMFMAHKRCJDI-ODLFYWEKSA-N 538.358 4.443 10 10 KICE COc1ccc([C@@H](C)NC(=O)C2=C(N)Oc3c(c(C)nn3-c3ccc(C)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1 1864008732 QSNSGCWTTJJVRP-QUGAMOGWSA-N 526.593 4.481 10 10 KICE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOc1ccccc1)=C(N)O2 1864012349 YBSFIMZXBQRTFK-VWLOTQADSA-N 547.011 4.194 10 10 KICE CCCc1nn(CC)c2c1[C@@H](c1sccc1C)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865337642 QIDIGKXFJYETGM-HSZRJFAPSA-N 521.687 4.277 10 10 KICE CCC[C@H](NC(=O)CCS(=O)(=O)c1ccc(OC)c(Cl)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866806739 YYEBCIOVSZRYCV-QHCPKHFHSA-N 583.062 4.211 10 10 KICE C[C@@H](NC(=O)c1ccccc1C(=O)c1ccccc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867543623 YKLUGCVSPFHSDN-BTYSJIOQSA-N 526.681 4.445 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H](c3ccc(OC)c(OC)c3)C(C)C)CC2)cc1 1868864748 ZRQSPWKCVJQQDZ-QCENPCRXSA-N 575.706 4.234 10 10 KICE CCOc1ccc(N2C(=O)C(=Cc3ccc(OCc4cccc(C(=O)O)c4)cc3)C(=O)NC2=S)cc1 2294204933 VMFXAYLPGHHRPG-UHFFFAOYSA-N 502.548 4.194 10 10 KICE Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1C=C1C(=O)NC(=O)N(c2ccc(Br)c(C)c2C)C1=O 2313548466 XFQQVUSDKCBQDK-UHFFFAOYSA-N 538.358 4.443 10 10 KICE CCc1cccc(CC)c1N1C(=O)[C@@H]2[C@H](c3ccc(N(C)C)cc3)N[C@@](Cc3ccccc3)(C(=O)O)[C@@H]2C1=O 33631792 ITSFEZCUVYRWDX-GZNUUUAQSA-N 525.649 4.394 10 10 KICE COc1ccc(N2CCN(C(=O)c3sc4ncn(CC(=O)Nc5cccc(C(F)(F)F)c5)c(=O)c4c3C)CC2)cc1 98049804 KMXUINZUOWDGKU-UHFFFAOYSA-N 585.608 4.395 10 10 KICE CCOc1cc(Br)c(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1OC 1084116908 IMEAXVFZOLUJAT-ZSOIEALJSA-N 524.165 4.285 10 10 KICE CCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H]1CCCC[C@@H]1C)=C(N)O2 1864019639 ODGLTHJULIYSEL-UQJUWTFNSA-N 502.615 4.295 10 10 KICE CCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@@H](C)C1)=C(N)O2 1865032963 OTRGYSPUIYHLDE-SRGWNRLKSA-N 518.614 4.054 10 10 KICE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)N1CCCCCC1)[C@@H]2c1ccc(O)c(O)c1 1865033872 JNKYWLQWXKMJMJ-JOCHJYFZSA-N 504.587 4.087 10 10 KICE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)N(C)C1CCCCC1)[C@@H]2c1ccc(O)c(O)c1 1865034250 SBJKAQLFPFATKQ-HSZRJFAPSA-N 518.614 4.476 10 10 KICE CCCC[C@@H](NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867796190 DCEDNVOLYWGYNT-LEAFIULHSA-N 552.720 4.359 10 10 KICE CCc1ccc(-c2nc(CC(=O)N[C@H](CC)C(=O)N3CCN(c4ccc(OC)cc4)CC3)c(C)o2)cc1 1868992872 LMWGOSDNXXNNCT-RUZDIDTESA-N 504.631 4.007 10 10 KICE COc1ccc(/C=C2/SC(Nc3nnc(SCC(=O)Nc4ccc(C(=O)O)cc4)s3)=NC2=O)cc1 206386424 LMKXFSYHTIFVKI-MHWRWJLKSA-N 527.609 4.058 10 10 KICE CCN(CC)CCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@H]1c1ccc(O)c(O)c1 1864013391 ARTYBWATWDIXRF-RUZDIDTESA-N 539.636 4.103 10 10 KICE CCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCc3ccccc3C1)=C(N)O2 1865035034 JRRNUADDEWJDQB-AREMUKBSSA-N 540.595 4.324 10 10 KICE COc1ccc(-c2cc(C(=O)N[C@H](CCSC)C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)nc(O)n2)cc1 1866623559 YHJZBGDCRZETLE-HSZRJFAPSA-N 582.638 4.123 10 10 KICE CC[C@](C)(NC(=O)c1ccc2c(c1)C(=O)N([C@@H](Cc1ccccc1)C(=O)O)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867633233 ZHMNOVDPTOILFQ-QXGWMLRCSA-N 667.807 4.286 10 10 KICE COc1ccccc1C(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867917094 YZYSAZYIRYVWLE-URLMMPGGSA-N 528.697 4.446 10 10 KICE CC[C@H](NC(=O)Cc1nc(-c2ccccc2Cl)oc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868647362 MSBVWYNSLLAKMD-QHCPKHFHSA-N 511.022 4.098 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCC(n5cnnc5C)CC4)nc(Cc4ccccc4)n3)CC2)cc1 1869079933 KJLZCRBDPKOJRX-UHFFFAOYSA-N 524.673 4.144 10 10 KICE CCCn1cc(OCCOc2ccc(OC)cc2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870457583 NPJJGEVBIUIXLR-UHFFFAOYSA-N 507.631 4.056 10 10 KICE COc1ccc(N2CCN(C(=O)c3ccc4nc(SCC(=O)NC5CCCCC5)[nH]c4c3)CC2)cc1 1872824691 HZLSIVSFJNSCGV-UHFFFAOYSA-N 507.660 4.075 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCc3cccc(C(F)(F)F)c3)C(=O)N(CCN3CCOCC3)C2=O)cc1 1873163126 XLWOBCHAQIMLNP-UHFFFAOYSA-N 552.597 4.315 10 10 KICE COC(=O)Cc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCOC(C)C)C2=O)cc1 1873420794 VXUCJHNUQKSVMC-UHFFFAOYSA-N 515.610 4.427 10 10 KICE Cc1ccc(S(=O)(=O)N[C@@H](C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c2ccccc2)cc1 1874019382 WIOZLJNRBPGNQD-AREMUKBSSA-N 510.571 4.429 10 10 KICE CCCOc1cc(N(CC)CC)ccc1C=C1C(=O)NN(c2ccc(I)cc2)C1=O 2295157472 BALHLOQIHDBXSR-UHFFFAOYSA-N 519.383 4.388 10 10 KICE Cc1ccc(NC(=O)COc2ccc(C=C3C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)cc2Cl)cc1 2313556158 OVVYWEJZTUUICL-UHFFFAOYSA-N 533.924 4.061 10 10 KICE COc1ccc(CNc2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1 33155023 SEFIWUBQMLZJNF-UOIFGXKSSA-N 522.652 4.004 10 10 KICE CCOC(=O)[C@@H]1CCCN(c2cc(N3CCN(C(=O)c4ccco4)CC3)c3c4c(onc24)-c2ccccc2C3=O)C1 101434982 WUTMMOYOHQFQLB-LJQANCHMSA-N 554.603 4.374 10 10 KICE CCN(CC)S(=O)(=O)c1ccc(/C=C\C(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)cc1 103096946 VXJDGWYIZMPVQG-ZROIWOOFSA-N 552.649 4.335 10 10 KICE CCCn1c(N2CCN(c3ccc(F)cc3)CC2)c(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c(C)c(C#N)c1=O 110527245 NFNDTZMAQWYTEU-SYANTJLKSA-N 581.739 4.284 10 10 KICE COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccccc3N3CCOCC3)[C@@H]2c2ccc(O)c(O)c2)c1 526499873 HXAUMLWAUZWZMX-AREMUKBSSA-N 504.539 4.009 10 10 KICE CC(C)(C)C(=O)OC[C@@H](N=[N+]=[N-])[C@@H]1O[C@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C 1085210290 JLKYKJIAGQRDOG-CWQOZTLDSA-N 541.642 4.485 10 10 KICE CCc1nn(CC(C)C)c2c1[C@@H](c1cccc(C)c1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865570450 FGYCRCQNEIWEND-AREMUKBSSA-N 529.685 4.462 10 10 KICE CC[C@](C)(NC(=O)c1ccc2c(c1)C(=O)N([C@H](Cc1ccccc1)C(=O)O)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867633231 ZHMNOVDPTOILFQ-NFSSQQQASA-N 667.807 4.286 10 10 KICE CC[C@@](C)(NC(=O)Cc1csc(COc2ccc(C)cc2)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868593633 YBABGDREQIUAOB-GDLZYMKVSA-N 536.698 4.215 10 10 KICE CC/C(=C\C(=O)N[C@@H](C)C(=O)N1CCN(c2ccc(OC)cc2)CC1)c1cc(Br)ccc1OC 1868949067 JVDVTHWLGCUQHR-BDBAMQCISA-N 530.463 4.113 10 10 KICE COc1cc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OC 2294259171 OXKWALSNDNJAOW-UHFFFAOYSA-N 526.206 4.060 10 10 KICE O=C1C(=Cc2c(N3CCN(c4cccc(Cl)c4)CC3)nc3ccccn3c2=O)SC(=S)N1C[C@@H]1CCCO1 2296706730 MCKVUEBFXRSXNV-FQEVSTJZSA-N 568.124 4.055 10 10 KICE CCOc1cc(C=C2SC(=S)N(Nc3ccc([N+](=O)[O-])cc3)C2=O)ccc1O[C@@H](CC)C(=O)O 2314934612 ITFVSAKVMIMDDL-INIZCTEOSA-N 503.558 4.464 10 10 KICE CN1C(=O)/C(=C/c2cn(CCOc3ccccc3)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 101378730 AXPYJSGQFBFTDQ-ZXVVBBHZSA-N 543.645 4.258 10 10 KICE CCCC[C@H](NC(=O)/C=C/c1ccc(Br)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861949045 IZUPEIXAQXFWAI-ZJRYQZHFSA-N 514.464 4.495 10 10 KICE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(F)cc1)=C(N)O2 1864011167 QYFWCZPLVYSPLV-VWLOTQADSA-N 544.583 4.395 10 10 KICE CC[C@H](C)NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(F)c2)[C@@H]1c1ccc(O)c(O)c1 1864015140 KCUIMKZSSODKSD-SGTLLEGYSA-N 520.483 4.110 10 10 KICE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4Cc4ccccc4F)[C@H]3c3ccco3)CC2)cc1 1865305143 LHINCODUCHUJAM-AREMUKBSSA-N 543.599 4.024 10 10 KICE CN(C)c1ccc([C@H](CNC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccc([N+](=O)[O-])cc2)N2CCCCC2)cc1 1867360174 ICHGSIRYRDGEBA-VMPREFPWSA-N 543.668 4.345 10 10 KICE CSCC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccn1)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867479272 GUTLEBWHIWTWIN-FIRIVFDPSA-N 642.826 4.139 10 10 KICE C[C@H](C(=O)O)N1C(=O)c2ccc(C(=O)N[C@H](CSCc3ccccc3)C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O 1867498745 JUBATVPYVUAXDK-HKLFXDKOSA-N 685.847 4.197 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](C)c3ccc(Br)cc3)CC2)cc1 1868837413 DAWLPDQWFVMZEZ-HRFSGMKKSA-N 566.496 4.343 10 10 KICE O=C(COc1cn(CCCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O)NCc1ccccc1 1870818929 DNARFPWRYMXWSZ-UHFFFAOYSA-N 512.610 4.282 10 10 KICE CCCCOCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2ccc(C)cc2C)[nH]1 1871604055 REBNVRQLYDKTBQ-UHFFFAOYSA-N 519.694 4.030 10 10 KICE COc1ccc(N2CCN(S(=O)(=O)c3ccc(OCC(=O)Nc4ccc(Cl)cc4C)cc3)CC2)cc1 1872718144 CQSKBZRMTGPUPD-UHFFFAOYSA-N 530.046 4.185 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccccc3N3CCOCC3)C(=O)N(C[C@@H]3CCCO3)C2=O)cc1 1873419620 MTNUCZXTHDDFST-VWLOTQADSA-N 526.637 4.302 10 10 KICE COc1cccc2cc(-c3nn(-c4ccccc4)cc3C=C3SC(=S)N(CCS(=O)(=O)O)C3=O)oc12 2314450662 KEWFPODZYHVKEG-UHFFFAOYSA-N 541.632 4.383 10 10 KICE COCCCN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3cccc(C(F)(F)F)c3)c3ccccc32)SC1=S 1764120 RVDDRHCMVHFFEQ-FMQUCBEESA-N 535.569 4.299 10 10 KICE Cc1ccc2nc(N3C[C@H](C)O[C@H](C)C3)c(/C=C3\SC(=S)N(Cc4ccc(F)cc4)C3=O)c(=O)n2c1 33473374 YRNUXXNOALCXOH-NIIQRYEDSA-N 524.643 4.157 10 10 KICE CCSC1=NSC2=NC(=O)/C(=C/c3ccc(OCCOc4cccc(OC)c4)c(OC)c3)C(=N)N12 104372441 RQUBIJNXVWENPX-SCORJZKRSA-N 512.613 4.491 10 10 KICE Cc1ccsc1CN(C(=O)CCCN1C(=O)/C(=C\c2ccccc2)SC1=S)[C@@H]1CCS(=O)(=O)C1 207324973 XCISGCMKYBOUCL-YFQSIASUSA-N 534.750 4.254 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)CCc3ccc(C)c(C)c3)CC2)cc1 1861940900 WCTCKPANYDGXEK-LJAQVGFWSA-N 517.645 4.460 10 10 KICE Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NC(c1ccccc1)c1ccccc1)[C@H]2c1ccc(O)c(O)c1 1864016058 ZITGEGFNTHSBMD-FQEVSTJZSA-N 536.510 4.451 10 10 KICE CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCC(Cc3ccccc3)CC1)[C@@H]2c1ccc(O)c(O)c1 1865026968 UXSVPQITNFBJST-RUZDIDTESA-N 502.615 4.189 10 10 KICE COC(=O)c1c(NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)sc(C)c1-c1ccc(C)c(C)c1 1866025978 DWYHFQCVCILAJD-UHFFFAOYSA-N 507.524 4.270 10 10 KICE C[C@H](NC(=O)[C@@H](Cc1ccccn1)c1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866680816 ALGRFDZWMZCUAN-DFBJGRDBSA-N 503.558 4.327 10 10 KICE COc1ccc(N2CCN(c3nc(=NCCCCc4ccccc4)[nH]c(=Nc4ccccc4)[nH]3)CC2)cc1 1871599269 GMZIQKFZJJUAOZ-UHFFFAOYSA-N 509.658 4.229 10 10 KICE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 2296777141 NFYWHEDSBOIGHM-UHFFFAOYSA-N 509.272 4.211 10 10 KICE Cc1ccccc1OCCOc1ccc(C=C2C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC(C)C)cc1 2297345486 BDMUYENKUFCAPM-UHFFFAOYSA-N 526.640 4.100 10 10 KICE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)c(C)c3C)C2=O)cc(I)c1OC 2313549282 RRVUTUSHCLJIQK-UHFFFAOYSA-N 585.192 4.354 10 10 KICE Cc1cccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc(N5CCOCC5)cc4)c3C)C(=O)NC2=S)c1 2313624068 LISSFNQATFWNFM-UHFFFAOYSA-N 500.624 4.070 10 10 KICE CCOC(=O)N1CCN(c2nc3ccc(C)cn3c(=O)c2C=C2SC(=S)N(Cc3ccccc3Cl)C2=O)CC1 2314399337 PWRKHXDZZILJRK-UHFFFAOYSA-N 584.123 4.336 10 10 KICE CC[C@H](Oc1ccc(C=C2SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1)C(=O)O 2314930481 DXZGAHUHGBEKGN-IBGZPJMESA-N 509.609 4.132 10 10 KICE O=C1/C(=C\c2nc3ccc(I)cc3c(=O)n2CCCO)c2ccccc2N1Cc1ccccc1 100729657 DNACIHJJLFMVFC-PGMHBOJBSA-N 563.395 4.471 10 10 KICE Cc1cc(Oc2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)ccc1Cl 101062765 HVMCDRDDOXDTHT-BKQORJHRSA-N 562.094 4.145 10 10 KICE COc1cc(/C=C2/C(=N)N3N=C(c4ccc(C)cc4)SC3=NC2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 105793035 NEIIGKKVRSXABS-ITFAFNGDSA-N 577.600 4.347 10 10 KICE COc1ccc(CN2C(=O)/C(=C\c3c(C)c(C#N)c(=O)n(C)c3NCc3ccco3)SC2=S)cc1 208270754 WHITXMFYWDADIB-SRZZPIQSSA-N 506.609 4.181 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cccc(OCc4ccccc4)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 254715146 MVRNLUQFOPVFHJ-GDLZYMKVSA-N 553.684 4.443 10 10 KICE CC(C)Oc1c(I)cc(I)cc1/C=C1/C(=O)NC(=O)N(CCc2ccccc2)C1=O 1084459219 ZGLPOCZLRFQZPU-BOPFTXTBSA-N 630.220 4.388 10 10 KICE CC[C@@H](C)NC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2CC(C)C)[C@H]1c1ccc(O)c(O)c1 1864017764 UQRTUVPICUJJQA-OPAMFIHVSA-N 506.603 4.235 10 10 KICE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CC1)=C(N)O2 1864018882 TUDUXSOQASNICX-FQEVSTJZSA-N 515.397 4.185 10 10 KICE Cc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C)C1)=C(N)O2 1865027611 JTMIVNLYNLPFDZ-JLCFBVMHSA-N 539.430 4.308 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)COc4ccccc4)n(-c4ccc(Cl)cc4)n3)CC2)cc1 1869970326 ISUFKUNNQJIZLS-UHFFFAOYSA-N 519.005 4.273 10 10 KICE CCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCCCCN(CC)CC)ncnc21 1875206317 SZFDLWDELUHSQZ-UHFFFAOYSA-N 521.710 4.346 10 10 KICE CN1C(=O)C(=Cc2cn(CCOc3ccccc3)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 2297508708 AXPYJSGQFBFTDQ-UHFFFAOYSA-N 543.645 4.258 10 10 KICE Cc1cc(Br)ccc1N1C(=O)NC(=O)C(=CNc2c(C)nn(-c3ccc([N+](=O)[O-])cc3)c2C)C1=O 2313548267 QMTIYDDQIASWQQ-UHFFFAOYSA-N 539.346 4.047 10 10 KICE CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(OC(C)C)c(OC)c3)C2=O)cc1 2313549505 XXOWEKPJHXTMJU-UHFFFAOYSA-N 503.349 4.310 10 10 KICE COc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 2313558813 KKEUVMZMQCEWNS-UHFFFAOYSA-N 507.499 4.153 10 10 KICE COc1cc(C=C2SC(=S)N([C@@H](C(=O)O)c3ccccc3)C2=O)ccc1OCC(=O)N1CCCCC1 2314769944 XFSYTLXCBHOPCC-HSZRJFAPSA-N 526.636 4.114 10 10 KICE CN1C(=O)/C(=C/c2cn(Cc3ccccc3)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 33592438 VXISDTKQSFGMDN-YZSQISJMSA-N 513.619 4.228 10 10 KICE CC(C)C(=O)N[C@@H](Oc1ccc(/C=C2/SC(=S)N(CCC(=O)O)C2=O)cc1)C(Cl)(Cl)Cl 102630496 QXOARTSOSHWIES-VEMDQMBVSA-N 525.863 4.210 10 10 KICE Cc1cc(/C=C2/C(=O)NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(N2CCOCC2)c(Br)c1 104927443 CISHBISIXHOTFN-HAHDFKILSA-N 563.452 4.355 10 10 KICE COc1ccc(CN2C(=O)/C(=C/c3c(C)c(C#N)c(=O)n(C)c3N3CCN(c4ccccc4)CC3)SC2=S)cc1 110520142 SXCRNZGVECOXTQ-ONUIUJJFSA-N 571.728 4.302 10 10 KICE CCN(CC)CCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2cccc(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1864008260 GSJWYETWJNYZGQ-DEOSSOPVSA-N 540.064 4.178 10 10 KICE Cc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1)=C(N)O2 1864008409 JXTGSSURFORAOF-QHCPKHFHSA-N 502.958 4.256 10 10 KICE COc1ccc([C@H](C)NC(=O)C2=C(N)Oc3c(c(C)nn3Cc3cccc(F)c3)[C@H]2c2ccc(O)c(O)c2)cc1 1864011681 JWTWZRBGXYKJLV-YHAMSUFESA-N 544.583 4.371 10 10 KICE Cc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCC1)=C(N)O2 1864012095 QYYQXEXLILDLLK-QHCPKHFHSA-N 509.006 4.448 10 10 KICE CCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2-c2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1 1864021673 FHILFFMBXLAXSB-QHCPKHFHSA-N 512.566 4.098 10 10 KICE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CC)=C(N)O2 1865030404 JEHPLTDDTKTZKL-DEOSSOPVSA-N 504.631 4.475 10 10 KICE Cc1ccc(C)c(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)N2CCCC2)[C@@H]3c2ccc(O)c(O)c2)c1 1865034431 WKBMMJPMRXBFOF-HXUWFJFHSA-N 528.531 4.295 10 10 KICE CCCc1nn(CCC)c2c1[C@@H](c1ccccc1O)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865528620 IHBYIPMQTODVPX-RUZDIDTESA-N 531.657 4.003 10 10 KICE O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cccc(Cl)n1 1866566445 FUIOOOIXWAPANG-QHCPKHFHSA-N 509.949 4.490 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)CCc3c[nH]c4ccccc34)CC2)cc1 1868585184 MOYICPALDUKMBO-GDLZYMKVSA-N 510.638 4.185 10 10 KICE O=C(CCN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)Nc1ccc(O)c(C(=O)O)c1 2454628 FDPTVQBQJFRKTO-CXUHLZMHSA-N 507.387 4.083 10 10 KICE Cc1ccc(NC(=O)CN2C(=O)/C(=C3/SC(=S)N(CCCCCC(=O)O)C3=O)c3ccccc32)cc1 33912721 PNMDZCKFRHUQQS-GHVJWSGMSA-N 523.636 4.197 10 10 KICE CCn1c(N2CCC(C)CC2)c(/C=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c(C)c(C#N)c1=O 110521113 QTUHFJLLLSYMGW-JLPGSUDCSA-N 588.759 4.488 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)cc1 254347888 HALYNTKEVFPDKW-HHHXNRCGSA-N 572.643 4.123 10 10 KICE CCN(CCc1ccncc1)C(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2Cl)[C@H]1c1ccc(O)c(O)c1 1865028222 RVXPAEJSFHIRSK-RUZDIDTESA-N 546.027 4.426 10 10 KICE CCCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867356550 SACRHNVOMGASBS-IZZNHLLZSA-N 509.651 4.293 10 10 KICE CN(C)c1ccc([C@@H](CNC(=O)[C@@H](CO)NC(=O)c2c(Cl)ccc(Cl)c2Cl)N2CCCCC2)cc1 1867741358 GCYHKTVTJGQBSZ-NHCUHLMSSA-N 541.907 4.147 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCCC[C@H]4CCO)nc(-c4cccc(OC)c4)n3)CC2)cc1 1867992819 JUDCSESGMMVKPG-DEOSSOPVSA-N 503.647 4.229 10 10 KICE CCCCCn1cc(OCC(=O)NC2CCCCC2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870492779 MEXQXCRPHSDVSD-UHFFFAOYSA-N 524.706 4.197 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(N[C@@H]3CCCC[C@@H]3C)C(=O)N(CCCN3CCOCC3)C2=O)cc1 1873169630 DCPIWXSEYZYOPJ-HFZDXXHNSA-N 504.675 4.065 10 10 KICE COCCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCc3ccccc3F)ncnc21 1875225602 VSXUUCYDMZHXPW-UHFFFAOYSA-N 532.620 4.190 10 10 KICE Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(NCC(C)C)nc12 2295998909 FRNTUKAKAOSTBJ-UHFFFAOYSA-N 508.625 4.201 10 10 KICE CCN1C(=O)C(=C2SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)c2cc(Br)ccc21 2314764703 KAJXSXLGNNMOTN-UHFFFAOYSA-N 522.833 4.385 10 10 KICE O=C1/C(=C/c2cccs2)SC(=S)N1CCC(=O)N(Cc1c(F)cccc1Cl)[C@H]1CCS(=O)(=O)C1 101283009 HQHWHSRCILYEHD-KVMVOAJRSA-N 559.131 4.348 10 10 KICE Cc1noc(/C=C/c2ccc(F)cc2F)c1S(=O)(=O)N1CCC(C(=O)NCc2ccc(N(C)C)cc2)CC1 102614307 QTDKEZGOUZPFNZ-YRNVUSSQSA-N 544.624 4.215 10 10 KICE NS(=O)(=O)c1ccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3Cl)[C@@H]2c2ccc(O)c(O)c2)cc1 526313595 LSWNKUXLBGQYGK-FQEVSTJZSA-N 507.351 4.109 10 10 KICE CN(C)c1ccc([C@H](CNC(=O)[C@@H](CO)NC(=O)c2c(Cl)ccc(Cl)c2Cl)N2CCCCC2)cc1 1867741359 GCYHKTVTJGQBSZ-RTWAWAEBSA-N 541.907 4.147 10 10 KICE CSCC[C@@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867785542 VGJYHOOJJLIXGB-GGXMVOPNSA-N 596.798 4.456 10 10 KICE CC[C@@](C)(NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867922247 GPHYQEHOAKUDFZ-ZBWWXOROSA-N 599.732 4.384 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)[C@@H]3C[C@H]3c3ccccc3)CC2)cc1 1868901277 CLBMPAWECYOIBH-IARZGTGTSA-N 501.602 4.014 10 10 KICE COCCN1[C@@H](C)CN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(-c3ccc(F)cc3)n2)C[C@@H]1C 1869275785 ZUPYNOXHKRTGMA-GOTSBHOMSA-N 534.680 4.163 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3cccc(F)c3)C(=O)N(CCCN3CCOCC3)C2=O)cc1 1873425535 DHIKBBSGXJKJFD-UHFFFAOYSA-N 502.590 4.148 10 10 KICE CCOc1cc(C=C2C(=N)N3C(SCC)=NSC3=NC2=O)ccc1OS(=O)(=O)c1ccccc1 2297345100 QVXDGNOLQKTSIG-UHFFFAOYSA-N 516.626 4.183 10 10 KICE CCOC(=O)c1ccc(NC(=O)CN2C(=O)/C(=C3/SC(=S)N(C4CCCC4)C3=O)c3ccccc32)cc1 2509074 MEKLYNGWVLBFIZ-GHVJWSGMSA-N 535.647 4.363 10 10 KICE CCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(C)C)c2)SC1=S 35447479 YYNDULMODMTYLF-QNGOZBTKSA-N 512.682 4.401 10 10 KICE CCCn1c(N2CCN(c3ccccc3F)CC2)c(/C=C2\SC(=S)N(CCCOC)C2=O)c(C)c(C#N)c1=O 110526900 BRIBAVVSYZLUNC-ULJHMMPZSA-N 569.728 4.142 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 254435211 ZZNPKHCQPMNMAA-MHZLTWQESA-N 588.642 4.041 10 10 KICE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN(C)C)=C(N)O2 1864010208 KDBAZOANCCTWKH-HSZRJFAPSA-N 540.064 4.042 10 10 KICE CCCCOCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2cc(C)ccc2C)[C@H]1c1ccc(O)c(O)c1 1864010621 ACCKTXHWMDAXPZ-AREMUKBSSA-N 534.657 4.285 10 10 KICE CC(C)NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2c(F)cccc2Cl)[C@@H]1c1ccc(O)c(O)c1 1864022366 MIIOKYLFMOGBBU-KRWDZBQOSA-N 540.901 4.373 10 10 KICE CC[C@](C)(NC(=O)c1ccc(N2CCN(C(=O)C3CC3)CC2)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866899125 SKWCGKTZZUBGRX-UMSFTDKQSA-N 578.669 4.058 10 10 KICE CCc1cccc(CC)c1N1C(=O)c2ccc(C(=O)N[C@H](CO)C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O 1867593485 SYWRKKRNFPFANV-ROJLCIKYSA-N 639.797 4.112 10 10 KICE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4c(C)cc(C)cc4C)cn3CCN(C)C)CC2)cc1 1870379780 OCZFUQYUWIKCDD-UHFFFAOYSA-N 518.702 4.245 10 10 KICE COc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C[C@H]3CCCO3)C2=O)cc1OC 1873420487 ZVKOBQKUGNVQMX-HSZRJFAPSA-N 501.583 4.482 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(Cl)c([N+](=O)[O-])c3)C(=O)N(CCN3CCOCC3)C2=O)cc1 1873425898 PGXYGFRHLLSUGJ-UHFFFAOYSA-N 550.015 4.180 10 10 KICE O=C1N=C(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)SC1=Cc1ccc(OS(=O)(=O)c2ccccc2)cc1 2296928514 UTTGQFCQKKBAEJ-UHFFFAOYSA-N 550.618 4.155 10 10 KICE COc1ccc(CCN2C(=O)C(=Cc3c(N4CCC(C)CC4)nc4ccccn4c3=O)SC2=S)cc1OC 2314401264 VWYRMWVVYCZJMO-UHFFFAOYSA-N 550.706 4.392 10 10 KICE COc1ccc(CN2C(=O)C(=Cc3c(N4CCCCC4)nc4c(C)cccn4c3=O)SC2=S)cc1 2314413748 GMUZZZKWSCHTNB-UHFFFAOYSA-N 506.653 4.403 10 10 KICE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)NCCc2ccccc2)[C@@H]3c2ccc(O)c(O)c2)cc1 1864008098 BRTLZBGCGHVBSO-AREMUKBSSA-N 510.594 4.013 10 10 KICE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOCC)=C(N)O2 1864012657 GAZPPNLSGZRJKL-VWLOTQADSA-N 534.657 4.149 10 10 KICE CCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1864016037 YYZLNRLUJPGHEQ-OAHLLOKOSA-N 529.302 4.440 10 10 KICE CCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccs1)=C(N)O2 1864018804 REGKKLPMXZZCEP-JOCHJYFZSA-N 520.586 4.117 10 10 KICE C[C@H]1CCCN(C(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3Cc3cccc(F)c3)[C@H]2c2ccc(O)c(O)c2)C1 1865033969 LWXMINJPHGTSSI-VBKZILBWSA-N 546.521 4.454 10 10 KICE O=C(CCc1ccco1)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866576737 XEFHNWPJGIZDIK-VWLOTQADSA-N 508.530 4.059 10 10 KICE CC[C@@H](NC(=O)c1ccccc1I)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867858869 XEWGYSPTFKAXDK-RPWUZVMVSA-N 562.496 4.209 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)c3cccc(-n4cccc4)c3)CC2)cc1 1868614505 WLOCPVUFSVVMNH-GDLZYMKVSA-N 526.612 4.315 10 10 KICE CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OCCOc4ccc(C)cc4)c(Cl)c3)C(=N)N21 2297345710 UQHDISPOAPVPKF-UHFFFAOYSA-N 533.031 4.118 10 10 KICE COc1ccc(CCN2C(=O)C(=Cc3c(N4CCCCC4)nc4c(C)cccn4c3=O)SC2=S)cc1 2297460319 FMIOBOUGAVSQFO-UHFFFAOYSA-N 520.680 4.446 10 10 KICE CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3cc(I)c(O)c(I)c3)C2=O)c1 2313556958 PIUOPGDSKUVSGH-UHFFFAOYSA-N 648.191 4.065 10 10 KICE COc1cc(C=C2C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCc1cccc(C(=O)O)c1 2313564939 HJZVPUGDPCEOLD-UHFFFAOYSA-N 516.575 4.421 10 10 KICE C[C@@H](NC(=O)CCCCCN1C(=O)/C(=C/c2cc(Br)cc(Br)c2O)SC1=S)C(=O)O 101969769 HVLFHSJTGAZTIF-DOQDJBIESA-N 580.320 4.268 10 10 KICE Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@](Cc2ccc([N+](=O)[O-])cc2)(C(=O)O)N[C@H]3c2ccc(N(C)C)cc2)cc1Cl 102479767 LPGSDSYZOYJGBN-APSVEGKFSA-N 563.010 4.139 10 10 KICE COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)c2C)cc1 103858293 PWXHAQRVRBQSRP-FYJGNVAPSA-N 522.355 4.310 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3c(C)nn(-c4ccccc4)c3Cl)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 252670071 JMOKXCWZFNHIDF-VWLOTQADSA-N 562.095 4.012 10 10 KICE CCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN(CC)CC)=C(N)O2 1864020263 XLTOCHDJYNXVIO-QHCPKHFHSA-N 540.064 4.042 10 10 KICE CCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccncc1)=C(N)O2 1864022494 YAMUHCFEUIMFBK-AREMUKBSSA-N 533.588 4.405 10 10 KICE CC[C@](C)(NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867817155 ADONAROQCQFPLL-NAKRPHOHSA-N 554.648 4.119 10 10 KICE COc1ccc(CCN2C(=O)C(=Cc3c(NC[C@@H](O)c4ccccc4)nc4ccccn4c3=O)SC2=S)cc1OC 2314475917 FPHFYRWHOVQOOF-JOCHJYFZSA-N 588.711 4.301 10 10 KICE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C2SC(=S)N(CCCC(=O)O)C2=O)c(C)c1 2314509714 XIDIVNBACPKHKF-UHFFFAOYSA-N 509.609 4.478 10 10 KICE COc1ccc(C=C2SC(=S)N(CC(=O)N(Cc3ccc(N(C)C)cc3)C[C@H]3CCCO3)C2=O)cc1 2314627683 SEUCVTOXASPAGW-HSZRJFAPSA-N 525.696 4.170 10 10 KICE COc1cc(C=C2SC(=S)N(NC(=O)c3ccc(OCc4ccccc4)cc3)C2=O)ccc1OCC(=O)O 2314933165 UPDPZWWKXSTTLT-UHFFFAOYSA-N 550.614 4.284 10 10 KICE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C(C)C)C3=O)c(N3CCN(c4ccccc4F)CC3)nc12 2371343 QXBNZQLOKJDIOP-RCCKNPSSSA-N 523.659 4.078 10 10 KICE COc1cc(/C=C2\C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)ccc1OCc1ccccc1C 102471947 SZKMWGJTBGFSSG-WJQQQHEKSA-N 517.611 4.214 10 10 KICE COc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(N(C)C)cc2)C(C(=O)Nc2ccccc2C)=C(C)N=3)cc1 103254113 IHIKPMIWPXWBDH-OXWVMCNISA-N 538.673 4.257 10 10 KICE Cc1ccc(/C=C2/SC(=S)N(CC(=O)N(Cc3ccc(N(C)C)cc3)C[C@@H]3CCCO3)C2=O)cc1 205611157 XWPUNHVDVDFKMG-GVFUYMABSA-N 509.697 4.470 10 10 KICE CCN1C(=O)/C(=C/c2cn(CC(=O)N3[C@H](C)CCC[C@H]3C)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 254396575 RNAQMGLCSPQXPB-GNJOINOBSA-N 590.746 4.359 10 10 KICE CCOC(=O)c1c(NC(=O)C(=O)NC[C@@H](c2ccc(OC)cc2)N(C)C)sc(C)c1-c1ccc(F)cc1 1860759595 YBYQKJOIZITBMZ-NRFANRHFSA-N 527.618 4.406 10 10 KICE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)NCc2cccs2)[C@H]3c2ccc(O)c(O)c2)cc1 1864008217 GAOUQFJCDFWXFY-QHCPKHFHSA-N 502.596 4.032 10 10 KICE COc1ccc(-c2nn(C)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)N[C@H](C)c2ccccc2)=C(N)O3)cc1 1864021661 FBBMAESQBSFWQY-WAIKUNEKSA-N 512.566 4.079 10 10 KICE O=C(C[C@H]1CCCCO1)N[C@@H](Cc1ccc(F)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867244006 LZYHUESFRXFWCF-NLFFAJNJSA-N 514.553 4.226 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)CCSc3nnc(-c4ccccc4)n3C)c3ccccc3)CC2)cc1 1868920142 YXNVRCXOZCELGO-MUUNZHRXSA-N 570.719 4.179 10 10 KICE COc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCN(C)C)C2=O)cc1OC 1873421062 FBDPVIPRVCKSHH-UHFFFAOYSA-N 502.615 4.255 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(C(=O)OC(C)C)cc3)C(=O)N(CCN(C)C)C2=O)cc1 1873421153 JLGLINANBFDQNT-UHFFFAOYSA-N 514.626 4.413 10 10 KICE COc1cc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCN3CCOCC3)C2=O)cc(OC)c1 1873425870 OCGHRYUJNQFAEY-UHFFFAOYSA-N 544.652 4.026 10 10 KICE COc1ccc(N2CCN(CCC(=O)c3ccc(NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)cc3)CC2)cc1 1874756525 CTBDPGDUNBTNDZ-UHFFFAOYSA-N 518.570 4.259 10 10 KICE Cc1sc2nc1CC(=O)N[C@@H](CCCCNC(=O)CC(C)(C)C)CC(=O)NCCC[C@H](NCc1ccccc1O)C(=O)N1CCC2CC1 2080421852 DECAFYIOAZWXHW-NSOVKSMOSA-N 682.932 4.072 10 10 KICE CCOc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc(Cl)c1OCc1ccccc1F 2297345059 MYIQCPPKXDIJOT-UHFFFAOYSA-N 536.994 4.078 10 10 KICE COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(I)c(OS(=O)(=O)c4ccc(C)cc4)c(OC)c3)C2=O)cc1 2313541006 JJLCHCCIBFAVKR-UHFFFAOYSA-N 648.431 4.051 10 10 KICE COC(=O)c1ccc(-c2ccc(C=C3C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)o2)c(C)c1 2313560857 JHLPJQJBPVRLSA-UHFFFAOYSA-N 509.312 4.471 10 10 KICE CCN1CCN(c2c(/C=C3/SC(=S)N([C@H](C)c4ccccc4)C3=O)c(C)c(C#N)c(=O)n2CC)CC1 33479166 QMJISXBODJWELR-KMYAOZERSA-N 521.712 4.153 10 10 KICE COc1cc(/C=C2\C(=O)N(c3cccc(Cl)c3)C(=O)N=C2O)cc(I)c1OC 59861280 MWQNCNWLVNTWNU-MLPAPPSSSA-N 512.687 4.469 10 10 KICE CCOc1cc(/C=C2/SC(=S)N(CCCCCC(=O)OC)C2=O)cc(Br)c1OCC(=O)N1CCOCC1 101731718 JXLXJHJZNXBJDR-HMMYKYKNSA-N 615.568 4.020 10 10 KICE Cc1cccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(CC(=O)N5CCCC5)SC4=NC3=O)cc2)c1 102771543 LCWCIVYJVRTHPQ-WOIBEVDJSA-N 517.611 4.084 10 10 KICE CCOc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc(Cl)c1OCc1ccc(F)cc1 104558349 DVWPPNQHAWUUKW-NUKAQNENSA-N 536.994 4.078 10 10 KICE Cc1c(/C=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c(NCCc2ccccc2)n(C)c(=O)c1C#N 143266095 FNMGQIPGSQNUID-UQQQWYQISA-N 596.738 4.424 10 10 KICE CCCCn1c(NCCc2ccc(OC)c(OC)c2)c(/C=C2\SC(=S)N(CCOC)C2=O)c(C)c(C#N)c1=O 143339251 USWWXRQQJAFKCM-JLPGSUDCSA-N 570.737 4.348 10 10 KICE CCc1ccc(N2C(=O)[C@@H]3[C@H](c4cccc(OC)c4O)N[C@](CC4CCCCC4)(C(=O)O)[C@@H]3C2=O)cc1 251997609 LJRARDMNNBPJNY-UITIVDIESA-N 506.599 4.207 10 10 KICE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN(C)C)=C(N)O2 1864009949 GGXQQOAGTOHILF-QHCPKHFHSA-N 540.064 4.042 10 10 KICE CCCCOCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2cccc(F)c2)[C@H]1c1ccc(O)c(O)c1 1864018821 RIDWSTXVPPICHS-XMMPIXPASA-N 538.620 4.062 10 10 KICE COc1ccc(-c2nn(CC(C)C)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)N2CCCCC2)=C(N)O3)cc1 1865033844 IVEWTFJXKPUTGN-HSZRJFAPSA-N 518.614 4.333 10 10 KICE COc1cccc(OC)c1C(=O)N[C@@H](Cc1ccc(OC(C)=O)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867363019 FSDCMTMRBIAXOJ-XZWHSSHBSA-N 616.759 4.380 10 10 KICE COc1cccc(C(=O)N[C@H](Cc2ccc(OC(C)=O)cc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867384651 OHANZUCTRTXBRS-ROJLCIKYSA-N 586.733 4.371 10 10 KICE Cc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CC(=O)N3CCc4c(F)cccc4[C@H]3C2)n1 1868481591 WSHUFHNJSIVYBC-RUZDIDTESA-N 533.563 4.389 10 10 KICE COc1ccc(N2CCN(Cc3cc(=O)c(OCCOC(C)C)cn3Cc3ccccc3C)CC2)cc1 1870540716 KJOIQSJGCWUWMO-UHFFFAOYSA-N 505.659 4.340 10 10 KICE CC(=O)N1CCN(c2ccc(OC[C]3CO[C@@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 2086896768 CYGHGTSLHAIIBF-AREMUKBSSA-N 530.432 4.369 10 10 KICE Cc1ccc(CN2C(=O)C(=C3SC(=S)N(CCC(=O)O)C3=O)c3cc(Br)ccc32)cc1 2296538364 KFJFJBLJFZZKTB-UHFFFAOYSA-N 517.426 4.350 10 10 KICE Cc1ccccc1NC(=O)CN1C(=O)C(=C2SC(=S)N(CCCCCC(=O)O)C2=O)c2ccccc21 2296714168 BRKKGGBWSHDEDH-UHFFFAOYSA-N 523.636 4.197 10 10 KICE Cc1ccc(CN2C(=O)C(=Cc3c(N4C[C@H](C)O[C@@H](C)C4)nc4ccc(C)cn4c3=O)SC2=S)cc1 2314400503 NXESMZMLIYNDCQ-OALUTQOASA-N 520.680 4.326 10 10 KICE O=C(O)C[C@@H](C(=O)O)N1C(=O)C(=Cc2cc(Br)ccc2OCC(=O)Nc2ccc(Cl)cc2)SC1=S 2314842445 VWQZRLSSFCKKOX-HNNXBMFYSA-N 599.868 4.249 10 10 KICE NS(=O)(=O)c1ccc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)cc1 101969265 IGWVRRNHMONWCD-RGEXLXHISA-N 524.089 4.388 10 10 KICE Cc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 103873662 JYTDZFWSJMWCKL-YVLHZVERSA-N 542.331 4.464 10 10 KICE CC(C)NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1864015979 YBKHOHBZIZWIOT-INIZCTEOSA-N 508.884 4.175 10 10 KICE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC(C)C)=C(N)O2 1864017860 XIAFJDAGBXBCAJ-IBGZPJMESA-N 503.386 4.372 10 10 KICE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC(C)C)=C(N)O2 1864019271 XPDYRNXWUYWYDT-QHCPKHFHSA-N 541.048 4.184 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCN(c5ccccc5OC)CC4)nc(C(C)(C)C)n3)CC2)cc1 1867967457 VZWBZVOEYWLIBD-UHFFFAOYSA-N 516.690 4.445 10 10 KICE COCCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CC(=O)N3CCc4c(F)cccc4[C@H]3C2)n1 1868254170 GNIQUGLQZLMEON-AREMUKBSSA-N 577.616 4.270 10 10 KICE COc1ccc(N2CCN(c3nc(=NCc4ccncc4)nc(Nc4ccc(Cl)c(C)c4)[nH]3)CC2)cc1 1871663845 PSVCOIYOXDPVRE-UHFFFAOYSA-N 517.037 4.341 10 10 KICE Cc1sc2nc1CC(=O)N[C@@H](CCCCNC(=O)Nc1ccccc1)CC(=O)NCCC[C@H](NCc1ccccc1O)C(=O)N1CCC2CC1 2080420485 AEALVCXDYJNANZ-KYJUHHDHSA-N 703.910 4.341 10 10 KICE CCOCCCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3ccc(OCC)cc3)c3ccccc32)SC1=S 2296711378 TUOYBUOWSUERSZ-UHFFFAOYSA-N 525.652 4.069 10 10 KICE Cc1ccc(N2C(=O)C(=Cc3cn(CC(=O)N4CCCC4)c4ccccc34)C(=O)NC2=S)cc1Cl 2297560081 KGBQVDCOJKSZEU-UHFFFAOYSA-N 507.015 4.057 10 10 KICE COc1cc(/C=C2/C(=O)N(c3ccc4c(c3)OCO4)C(=O)N=C2O)ccc1OCc1ccc(C(=O)O)cc1 27532347 NBNXVBFDJZFSJI-VXLYETTFSA-N 516.462 4.208 10 10 KICE CCCOC(=O)CCCN1C(=O)/C(=C\c2cc(Br)c(OCC(=O)N3CCOCC3)c(OCC)c2)SC1=S 101742975 PCBJREXUTMRLSN-HMMYKYKNSA-N 615.568 4.020 10 10 KICE CCN1C(=O)/C(=C2\SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)c2cc(Br)ccc21 101745037 PDOPLKTTWYPXJK-NXVVXOECSA-N 567.284 4.495 10 10 KICE Cc1cc(Br)c(N2C(=O)NC(=O)/C(=C/c3c(C)nn(-c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3C)C2=O)cc1C 103811900 TWKXRWFWTINZKY-YVLHZVERSA-N 583.355 4.351 10 10 KICE O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCCCC3)c2)SC(=S)N1[C@H]1CCS(=O)(=O)C1 150451791 GSMZVLXHSILMSM-MVOIGYSNSA-N 642.850 4.492 10 10 KICE CCCC[C@H](NC(=O)C(=O)Nc1sc(C)c(-c2ccc(Br)cc2)c1C(=O)OCC)C(=O)O 1860757973 DZNZCXQQIRDYKX-HNNXBMFYSA-N 525.421 4.361 10 10 KICE COc1ccc([C@H](C)NC(=O)C2=C(N)Oc3c(c(C)nn3-c3ccccc3)[C@@H]2c2ccc(O)c(O)c2)cc1OC 1864007546 PFBPYXPPQXPLSD-QMTYFTJSSA-N 542.592 4.181 10 10 KICE CCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cc(C)ccc2C)[C@H]1c1ccc(O)c(O)c1 1864016425 OXROBUSCBIZDIY-XMMPIXPASA-N 510.594 4.457 10 10 KICE Cc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCc3ccccc3C1)=C(N)O2 1865026405 NBNWBUVNSLTAEX-SANMLTNESA-N 526.568 4.070 10 10 KICE CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CCc1ccncc1)=C(N)O2 1865032769 KDCMLJYNMRDRQD-SANMLTNESA-N 539.636 4.335 10 10 KICE CSCC[C@@H](NC(=O)c1nc(C2CC2)n2ccccc12)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866861013 XMHCTYHZEICNKK-JOCHJYFZSA-N 538.629 4.477 10 10 KICE CSCC[C@@H](NC(=O)Cc1ccc2nc(O)c(C)cc2c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866918439 PZMANLIZKVQCQW-RUZDIDTESA-N 553.640 4.443 10 10 KICE CCOc1ccc(-c2nc(N3CCN(c4ccc(OC)cc4)CC3)cc(N3[C@@H](C)COC[C@H]3C)n2)cc1 1869335858 XQDXFBZMMFOFJC-SZPZYZBQSA-N 503.647 4.491 10 10 KICE CCOC(=O)N1CCC(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(Cc3nc4ccccc4[nH]3)C2=O)CC1 1873162026 CEWLQARITOLLFR-UHFFFAOYSA-N 566.662 4.461 10 10 KICE CCN(CC)CCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccc3c(c2)OCO3)C1=O 1873169411 NJFSUDKESGHWTN-UHFFFAOYSA-N 514.626 4.034 10 10 KICE COc1ccc(N2C(=O)C(=Cc3cn(CC(=O)Nc4ccccc4)c4ccccc34)C(=O)NC2=S)cc1 2294229485 YSUUSYIAJLUMCN-UHFFFAOYSA-N 510.575 4.120 10 10 KICE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1C 2296707829 PXOBGOCMECCKEY-HXUWFJFHSA-N 525.677 4.245 10 10 KICE C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)/C(=C/c2cccc(OCc3ccccc3)c2)SC1=S 101971466 HRQRXXXNPNPRMJ-XYLCRUHJSA-N 553.687 4.141 10 10 KICE O=C(CN1C(=O)/C(=C2/SC(=S)NC2=O)c2cc(Br)ccc21)Nc1cccc(C(F)(F)F)c1 102371773 OMEAPCQKCNNAIR-FOCLMDBBSA-N 542.358 4.312 10 10 KICE CCCn1c(NCc2ccc3c(c2)OCO3)c(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c(C)c(C#N)c1=O 143311191 OSLJUBULQMXQBT-JHHOAVTDSA-N 552.678 4.159 10 10 KICE CCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2-c2ccccc2Cl)[C@H]1c1ccc(O)c(O)c1 1864022498 NIMOZOYDODYKNC-JOCHJYFZSA-N 532.984 4.443 10 10 KICE COC(=O)c1c(NC(=O)CC2CCS(=O)(=O)CC2)sc(C)c1-c1ccc(Br)cc1 1866195680 PCYQQZXNXJRAMF-UHFFFAOYSA-N 500.436 4.426 10 10 KICE CSCC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(C(C)(C)C)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867511882 DAGYSDXUXACGAT-IZLXSDGUSA-N 607.821 4.342 10 10 KICE CC[C@H](NC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867530335 FLFXHAPTQJPSRU-KYJUHHDHSA-N 581.717 4.405 10 10 KICE CC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867620827 GMRZKIIVCZSKQO-FIRIVFDPSA-N 595.744 4.401 10 10 KICE CC(=O)Oc1ccc(C[C@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867810664 TXABVMKXYFJYIV-CDZUIXILSA-N 660.728 4.487 10 10 KICE COc1ccc(N2CCN(c3nc(=NCc4ccco4)nc(Nc4ccc(OC(C)C)cc4)[nH]3)CC2)cc1 1871722681 RKTCAFGQINACME-UHFFFAOYSA-N 515.618 4.365 10 10 KICE COCCCN1C(=O)C(NCCOc2cc(C)cc(C)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873168579 AGEJVXBKFCKWHW-UHFFFAOYSA-N 501.627 4.496 10 10 KICE COc1ccc(Cl)cc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCNC(C)=O)C1=O 1873422205 LDNCIBXXQQWATN-UHFFFAOYSA-N 506.990 4.084 10 10 KICE O=C1Nc2ccc(Br)cc2C1=C1SC(=S)N(NC(=O)c2ccc(Br)cc2)C1=O 2297296791 OTEAFYWSFHZNDM-UHFFFAOYSA-N 539.230 4.080 10 10 KICE CCOC(=O)c1ccc(NC(=O)CCCN2C(=O)C(=Cc3cc(OC)c(O)c(OC)c3)SC2=S)cc1 2314831706 QGTBLFAQQKUAMG-UHFFFAOYSA-N 530.624 4.206 10 10 KICE COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1 2079954 CNJHRYKRTRAISQ-HMAPJEAMSA-N 564.392 4.174 10 10 KICE COc1ccc(CN2C(=O)/C(=C\c3c(N4CCCCC4)nc4c(C)cccn4c3=O)SC2=S)cc1 35300207 GMUZZZKWSCHTNB-RCCKNPSSSA-N 506.653 4.403 10 10 KICE CN(C)c1ccc([C@@H]2CC(c3ccc(Br)cc3)=NN2C2=NC(=O)[C@@H](CC(=O)O)S2)cc1 72413113 PNHNYXOGCNXLBJ-RBUKOAKNSA-N 501.406 4.139 10 10 KICE CCOc1cc(/C=C2\C(=N)N3C(SC)=NSC3=NC2=O)ccc1OCCOc1ccc(OC)cc1 96450544 IBMLERMNWSVCHE-MRKXPFMVSA-N 512.613 4.491 10 10 KICE O=C1/C(=C\c2c(NC[C@@H](O)c3ccccc3)nc3ccccn3c2=O)SC(=S)N1CCc1ccccc1 102687470 YKLWQRNUKBLHSL-PLPWKKLYSA-N 528.659 4.284 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 254734749 MERAPMXUISVEKJ-HHHXNRCGSA-N 572.643 4.341 10 10 KICE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCC(C)C)=C(N)O2 1864010134 IGZPTEGBKLOZAI-HSZRJFAPSA-N 506.603 4.102 10 10 KICE NC1=C(C(=O)NCc2cccs2)[C@@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(Cc3ccccc3)c2O1 1864015226 MRXIHQAEOAXXIW-IBGZPJMESA-N 542.539 4.434 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)CCCSC)n(-c4cccc(Cl)c4)n3)CC2)cc1 1869970211 FSODEEOTMDOMHY-UHFFFAOYSA-N 501.056 4.338 10 10 KICE CCCCN1C(=O)C(=Cc2c(N3CCN(c4ccccc4OC)CC3)nc3ccccn3c2=O)SC1=S 2295982173 WMIFYPQRQKRKQP-UHFFFAOYSA-N 535.695 4.031 10 10 KICE COc1ccc(CCN2C(=O)C(=Cc3c(N4C[C@@H](C)O[C@H](C)C4)nc4c(C)cccn4c3=O)SC2=S)cc1 2296938408 KHRJEXUVGLTWEH-RTBURBONSA-N 550.706 4.069 10 10 KICE O=C(CCN1CCOCC1)NN1C(=O)C(=Cc2ccc(-c3c(Cl)cccc3Cl)o2)SC1=S 2314487656 HBKFIYIPPIJYCD-UHFFFAOYSA-N 512.440 4.208 10 10 KICE COc1ccc(C=CC(=O)N2CCC(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)CC2)cc1OC 2321901562 LGMOSKKRSLCTIP-UHFFFAOYSA-N 524.573 4.370 10 10 KICE COCc1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(SCc2cccc(C(=O)N3CCCC3)c2)n1 36061624 YMNJQKCWUZJCLL-UHFFFAOYSA-N 533.698 4.487 10 10 KICE COc1ccccc1OCCOc1c(OC)cc(/C=C2/C(=N)N3C(SC)=NSC3=NC2=O)cc1OC 101348204 GUWCKZRUMXRJAX-RYEMSDEPSA-N 528.612 4.110 10 10 KICE CCOC(=O)C1CCN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(Cc3ccc(C)cc3)C2=O)CC1 103719559 KJOXIYZURZFVCA-CJLVFECKSA-N 548.690 4.184 10 10 KICE O=C(O)/C(Cl)=C(/Cl)C(=O)Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(/N=N/c3ccccc3)c(O)c12 1615945114 NPAFAAHXEQXNAA-QFPFZIRTSA-N 590.375 4.167 10 10 KICE CCCOc1ccccc1C(=O)N[C@H](Cc1ccccc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862059617 VWHRMFJKJUUBFX-HHHXNRCGSA-N 501.627 4.174 10 10 KICE CCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)cc2)[C@H]1c1ccc(O)c(O)c1 1864013767 FSDFUDZFFVAONT-OAQYLSRUSA-N 502.958 4.435 10 10 KICE COc1ccc(-c2nn(C)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)N[C@H](C)c2ccc(OC)cc2)=C(N)O3)cc1 1864021711 FUAGNMOLRFDFBK-GYCJOSAFSA-N 542.592 4.088 10 10 KICE CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1cc(Cl)ccc1O 1865213199 ZNADCWMCJXQFHV-XMMPIXPASA-N 538.048 4.013 10 10 KICE Cc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCN3CCOCC3)C2=O)c([N+](=O)[O-])c1 1873426193 WDHMXOOQXSBEOK-UHFFFAOYSA-N 543.624 4.225 10 10 KICE COc1ccc(N2C(=O)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C(=O)NC2=S)c(OC)c1 2313541729 WMBDIOUSERVDKE-UHFFFAOYSA-N 513.915 4.357 10 10 KICE COc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 2313558693 HRORZQNZUKHHGQ-UHFFFAOYSA-N 507.499 4.153 10 10 KICE COc1cc(/C=C2/SC(=S)N(Cc3ccco3)C2=O)ccc1OCC(=O)Oc1ccc(C=O)cc1 33723318 CNTQHNNMSAGIOD-WSDLNYQXSA-N 509.561 4.487 10 10 KICE COc1ccc(CCN2C(=O)/C(=C\c3c(N4C[C@@H](C)O[C@H](C)C4)nc4ccc(C)cn4c3=O)SC2=S)cc1 100851291 IYVYXKQPJRKCPF-ICXVXVOZSA-N 550.706 4.069 10 10 KICE CCCCN1C(=O)/C(=C\c2c(N3CCN(c4ccccc4F)CC3)nc3ccc(C)cn3c2=O)SC1=S 100880688 PIHNCBFOCBRYHK-CJLVFECKSA-N 537.686 4.470 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1 254347895 HALYNTKEVFPDKW-MHZLTWQESA-N 572.643 4.123 10 10 KICE Cc1ccc(CCNC(=O)C2=C(N)Oc3c(c(C)nn3Cc3ccc(F)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1 1864012127 RSBCWJPBHPPHNA-SANMLTNESA-N 528.584 4.152 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCC5(CC4)OCCO5)nc(-c4ccccc4C)n3)CC2)cc1 1867961639 YWOQDFPXXKTZFH-UHFFFAOYSA-N 501.631 4.131 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)C[C@H](c3ccc(F)cc3)c3cccc(F)c3)CC2)cc1 1868719466 QTUBTKDDRHNJKR-NFQMXDRXSA-N 507.581 4.349 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)C[C@@H](c3ccc(F)cc3)c3ccc(OC)c(OC)c3)CC2)cc1 1869020286 ZNULORDNQYKFHA-IDISGSTGSA-N 549.643 4.227 10 10 KICE COc1ccc([N+](=O)[O-])cc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(C[C@H]2CCCO2)C1=O 1873418814 BCAFLPIPNKDBQF-JOCHJYFZSA-N 516.554 4.382 10 10 KICE COc1cc(C=C2C(=O)NC(=S)N(c3ccccc3C)C2=O)ccc1OCc1cccc(C(=O)O)c1 2313565259 ZUWUTGSGAYLTPD-UHFFFAOYSA-N 502.548 4.112 10 10 KICE O=C(O)CCN1C(=O)C(=C2C(=O)N(CCCOc3ccc(Cl)cc3)c3ccccc32)SC1=S 2326944892 AOKAMRROJXAAPK-UHFFFAOYSA-N 503.001 4.202 10 10 KICE COC(=O)c1ccccc1NC(=O)c1sc2ncnc(N3CCN(c4ccc(OC)cc4)CC3)c2c1C 10013143 QOLSXBIBPOTZFG-UHFFFAOYSA-N 517.611 4.374 10 10 KICE O=C(CNCc1cc(Cl)cc(Br)c1O)Nc1ccc(I)cc1F 1860721110 HFZCIVAXDRJEGZ-UHFFFAOYSA-N 513.532 4.280 10 10 KICE COc1ccccc1CNC(=O)C1=C(N)Oc2c(c(C)nn2-c2cccc(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1864008655 PCHUHKZDFUJOAI-XMMPIXPASA-N 532.984 4.265 10 10 KICE CCCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOCC)=C(N)O2 1864013153 QZIDQNRUINIALC-QHCPKHFHSA-N 541.048 4.186 10 10 KICE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccccc1)=C(N)O2 1864013203 SIQZXXHKYIOLJG-SANMLTNESA-N 542.611 4.488 10 10 KICE CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)c1ccc(OC)c(OC)c1)=C(N)O2 1864021253 NZZSVNDGEOXRCL-GYCJOSAFSA-N 536.629 4.102 10 10 KICE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N[C@@H]1CCCC[C@@H]1C)[C@H]2c1ccc(O)c(O)c1 1864022588 PNBNLYJYYPPPMI-JOQOYGCGSA-N 508.541 4.359 10 10 KICE COc1cc(/C=C2\C(=O)N(Cc3ccc(F)cc3)N=C2c2ccccc2)ccc1OCCN1CCOCC1 1865665717 IEUAWCFYPNPOBA-XHPQRKPJSA-N 515.585 4.375 10 10 KICE COc1cc(OC)cc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867391552 QAOBIENYMYKCIH-CONSDPRKSA-N 574.722 4.160 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCc5nc[nH]c5[C@@H]4C(C)C)nc(-c4cccnc4)n3)CC2)cc1 1869375459 WRSDYHRZDPRJST-NDEPHWFRSA-N 510.646 4.357 10 10 KICE COc1ccc(CN=c2nc(Nc3ccc(F)cc3)[nH]c(N3CCN(c4ccc(OC)cc4)CC3)n2)cc1 1871519446 GAIWDKVHDCRVHF-UHFFFAOYSA-N 515.593 4.132 10 10 KICE COc1cc(C=C2C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OCCOCCOc1ccccc1 2297499515 JQUIVAXKSSEIBF-UHFFFAOYSA-N 508.600 4.445 10 10 KICE CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccccc3C)C2=O)ccc1O[C@H](CC)C(=O)O 2314934191 GFHJNAIUVMMXIS-QGZVFWFLSA-N 500.598 4.182 10 10 KICE CCCCCNc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(CCCCCC(=O)O)C1=O 33481534 ZYARDGMNJLWDGW-OBGWFSINSA-N 502.662 4.451 10 10 KICE CCCCCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(CCCCCC(=O)O)C1=O 33481536 ZYARDGMNJLWDGW-SDXDJHTJSA-N 502.662 4.451 10 10 KICE CC[C@H](C)N1C(=O)/C(=C\c2c(N3CCN(c4ccccc4)CC3)nc3ccccn3c2=O)SC1=S 33688557 IUHITAKGNVFRGX-KOXKPCSVSA-N 505.669 4.021 10 10 KICE COc1ccc(N2CCN([C@H](CNS(=O)(=O)c3cc(Cl)ccc3Cl)c3ccco3)CC2)cc1 38619460 PZQIXIVOBZHXDF-OAQYLSRUSA-N 510.443 4.437 10 10 KICE CCOc1cc(/C=C2/C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)cc(I)c1O 101723465 CZDDGXYNHMPKCP-GHXNOFRVSA-N 542.782 4.189 10 10 KICE CCOC(=O)c1ccc(NC(=O)CN2C(=O)/C(=C3/SC(=S)N(CCCCCC(=O)O)C3=O)c3ccccc32)cc1 102838959 SAGWUEOAJFGARX-WCWDXBQESA-N 581.672 4.065 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)cc3OC)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br 252671080 MQEPJGKVQPNGLB-MHZLTWQESA-N 644.588 4.433 10 10 KICE COC(=O)c1ccc(C(=O)OC)c(N=N[C@H](C(C)=O)C(=O)Nc2ccc(NC(=O)[C@H](N=Nc3cc(C(=O)OC)ccc3C(=O)OC)C(C)=O)cc2)c1 606509430 BZKXDIAAIOXKAH-VSGBNLITSA-N 716.660 4.193 10 10 KICE [N-]=[N+]=N[C@H]1CCCN(C(=O)c2cc(I)cc(I)c2I)C1 701282924 YJXBBMJODIYMPB-QMMMGPOBSA-N 607.959 4.415 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 1084146436 FQDIYUWVDANUMW-NDEPHWFRSA-N 629.651 4.473 10 10 KICE Cc1ccc(C)c(CNC(=O)C2=C(N)Oc3c(c(C)nn3Cc3ccccc3F)[C@H]2c2ccc(O)c(O)c2)c1 1864009686 KLBHFBPGNHREAX-AREMUKBSSA-N 528.584 4.418 10 10 KICE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)NC2CCCC2)[C@@H]3c2ccc(O)c(O)c2)cc1 1864014987 HOYLOLVBKCGMMI-LJQANCHMSA-N 530.503 4.064 10 10 KICE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCC(C)C)=C(N)O2 1864018413 KRVAWGPLIMATHC-OAQYLSRUSA-N 514.985 4.164 10 10 KICE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4Cc4ccccc4)[C@H]3c3ccccc3)CC2)cc1 1865014982 QLAMIFCJRVRTSA-MUUNZHRXSA-N 535.648 4.292 10 10 KICE CCc1nn(C)c2c1[C@@H](c1c(Cl)cccc1Cl)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865177514 VMJGHFYYKDRYLD-HSZRJFAPSA-N 542.467 4.341 10 10 KICE CC[C@@H](NC(=O)[C@H](c1ccc(Br)cc1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868854851 MNSVFXWBIKYWSG-RPWUZVMVSA-N 516.480 4.441 10 10 KICE CCOC(=O)c1ccc(CN2C(=O)C(NCCCCN(C)C)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873167714 ULGNSVBCLPQVRR-UHFFFAOYSA-N 542.680 4.482 10 10 KICE COc1cccc(S(=O)(=O)NCc2ccc(C(=O)NCc3ccc(N4C[C@H]5CC[C@H]4C5)cc3)cc2)c1 1892177623 WDOXYDCTSNHZSM-DHLKQENFSA-N 505.640 4.092 10 10 KICE COC(=O)[C@H](c1ccccc1)N1C(=O)C(=Cc2ccc(OCC(=O)N3CCCCC3)c(OC)c2)SC1=S 2314766775 CAVQRGLFWXLNFB-DEOSSOPVSA-N 540.663 4.202 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)C(C)=Cc3cccc(Cl)c3)CC2)cc1 2330120560 LFFBCTLIRFRBJV-DEOSSOPVSA-N 502.080 4.339 10 10 KICE CCN(CC)C(=O)COc1ccc(/C=C2/SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)cc1 40940193 WZDPGPIAQODVPU-XDHOZWIPSA-N 504.033 4.133 10 10 KICE COc1ccc(CCN2C(=O)/C(=C/c3c(C)c(C#N)c(=O)n(C)c3N3CCN(Cc4ccccc4)CC3)SC2=S)cc1 110519263 OKDKQQIIYWFCKZ-USHMODERSA-N 599.782 4.340 10 10 KICE O=C(CCCN1C(=O)/C(=C2/SC(=S)N(CCCC(=O)Nc3ccccc3C(=O)O)C2=O)SC1=S)Nc1ccccc1C(=O)O 150609800 BSKMIMJIBZAUHB-DQRAZIAOSA-N 672.788 4.153 10 10 KICE COc1ccc(CCN2C(=O)/C(=C/c3ccc(OCCC(=O)O)c(OC)c3)SC2=S)cc1OC 210446336 JQOJCOBYXHZDMG-STZFKDTASA-N 503.598 4.010 10 10 KICE CO[C@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(CN(C)N5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C 1848435411 HOWFLFURDYGQJW-YVJOQMODSA-N 838.996 4.348 10 10 KICE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)N2C[C@H](C)C[C@@H](C)C2)[C@H]3c2ccc(O)c(O)c2)cc1 1865028138 QFASXBPSAIAIIO-GAKIBJFNSA-N 502.615 4.159 10 10 KICE COc1cc(OC)cc(C(=O)N[C@H](Cc2ccc(OC(C)=O)cc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867394267 KRMGXNPGRTZOQZ-CZNDPXEESA-N 616.759 4.380 10 10 KICE COc1ccc(N2CCN(Cc3cc(=O)c(OCC(=O)OC4CCCCC4)cn3CC(C)C)CC2)cc1 1870572814 WDFMYYGIORDXOG-UHFFFAOYSA-N 511.663 4.090 10 10 KICE Cc1ccc2nc(N3CCN(c4cccc(Cl)c4)CC3)c(C=C3SC(=S)N(CCCC(=O)O)C3=O)c(=O)n2c1 2297312671 ZSJRBRLIBAEOPX-UHFFFAOYSA-N 584.123 4.049 10 10 KICE COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1 2313682652 HZRQKRIEJAEZPN-UHFFFAOYSA-N 580.648 4.354 10 10 KICE Cc1ccc(C=C2SC(=S)N(CC(=O)N(Cc3ccc([C@@H]4C[C@H]4C)o3)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 2314829312 XKTYEIZRQAHNLO-YFVAEKQCSA-N 544.720 4.129 10 10 KICE CC(C)S(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(-c4ccc(Br)cc4)o3)C(=N)N21 96460901 BABUTEPQCYAGIR-ICZFKYGZSA-N 507.391 4.109 10 10 KICE CCOC(=O)CCCN1C(=O)/C(=C\c2cc(Br)c(OCC(=O)N3CCCCC3)c(OC)c2)SC1=S 101742567 WGYLVCUDVNGVPO-XMHGGMMESA-N 585.542 4.394 10 10 KICE CCN(CC)c1ccc([C@@H]2C(c3cc(OC)ccc3OC)=C(O)C(=O)N2c2ccc(S(N)(=O)=O)cc2)cc1 526315409 YCIQFIOCTRAUKX-AREMUKBSSA-N 537.638 4.255 10 10 KICE CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1OCc1ccc(C(=O)O)cc1 1084532495 RWQDNBDROSLKSX-UYRXBGFRSA-N 520.538 4.333 10 10 KICE COc1ccc([C@@H](C)NC(=O)C2=C(N)Oc3c(c(C)nn3-c3ccccc3)[C@H]2c2ccc(O)c(O)c2)cc1OC 1864007544 PFBPYXPPQXPLSD-AKJBCIBTSA-N 542.592 4.181 10 10 KICE COc1ccc([C@H](C)NC(=O)C2=C(N)Oc3c(c(C)nn3Cc3ccccc3)[C@H]2c2ccc(O)c(O)c2)cc1 1864008030 AFMXGGATVHJMIZ-MRDQGFSESA-N 526.593 4.232 10 10 KICE CC[C@H](C)NC(=O)C1=C(N)Oc2c(c(C)nn2Cc2c(F)cccc2Cl)[C@H]1c1ccc(O)c(O)c1 1864009701 KOZRGCUVLAIYCR-LAJNKCICSA-N 500.958 4.053 10 10 KICE CN(C)c1ccc([C@@H](CNC(=O)c2c[nH]c3c(I)cccc3c2=O)N2CCCCC2)cc1 1866445040 OXZCZFWCQDVLOD-JOCHJYFZSA-N 544.437 4.156 10 10 KICE CC(C)CN1C(=O)c2ccc(C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O 1867417687 BMBBMHDMTMXBAO-JHOUSYSJSA-N 639.797 4.395 10 10 KICE COc1ccc(Cl)cc1C(=O)NC(C)(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867615145 RQPRHPLLUQOKGG-HSZRJFAPSA-N 501.071 4.266 10 10 KICE CC[C@@H](CC(=O)N[C@H](C)C(=O)N1CCN(c2ccc(OC)cc2)CC1)c1cc(Br)ccc1OC 1868964391 QLSOFRWCBXERGC-MOPGFXCFSA-N 532.479 4.204 10 10 KICE CCCC[C@@H](NC(=O)Cc1ccc(C)c(Br)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869028381 OMTUKLMSUAUXRH-XMMPIXPASA-N 516.480 4.332 10 10 KICE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(N3CCC(C(N)=O)CC3)=NC2=O)cc1Br 2296721783 UMSMYVBKVYJURH-UHFFFAOYSA-N 566.481 4.478 10 10 KICE CCOc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1OCc1ccc2c(c1)OCO2 2313558806 KIBPOPGAXJIASF-UHFFFAOYSA-N 520.538 4.363 10 10 KICE CCOCCCNc1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc(OC)cc2)C1=O 33751721 DODDZGFOQXDCJF-STZFKDTASA-N 524.668 4.251 10 10 KICE CCN(CC)c1ccc([C@H]2C(c3cccc(OC)c3)=C(O)C(=O)N2c2ccc(S(N)(=O)=O)cc2)cc1 526314551 YACPXLUWOJHTPV-VWLOTQADSA-N 507.612 4.246 10 10 KICE COc1ccc(N2CCN(C(=O)c3cc4c(N5CCCCCC5)ncnc4n3Cc3ccco3)CC2)cc1 1873563973 MKOSCCHTODONPC-UHFFFAOYSA-N 514.630 4.424 10 10 KICE CCCCn1c(N2C[C@H](C)C[C@@H](C)C2)c(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)c(C)c(C#N)c1=O 39990497 URSIVIKUNGWXHQ-SJJRUYGKSA-N 530.716 4.377 10 10 KICE CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCC1)=C(N)O2 1864018109 CRGNYSFKQKDKNL-QHCPKHFHSA-N 506.578 4.188 10 10 KICE O=C(CCc1ccco1)N[C@@H](Cc1ccc(F)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866576369 MWNNBVDRHCFCBS-VWLOTQADSA-N 510.521 4.493 10 10 KICE COc1ccc(CN2C(=O)c3ccc(C(=O)NC(C)(C)C(=O)NC[C@@H](c4ccc(N(C)C)cc4)N4CCCCC4)cc3C2=O)cc1 1867451439 SSVNRYZSSUFSTI-HKBQPEDESA-N 625.770 4.409 10 10 KICE CN(C)c1ccc([C@@H](CNC(=O)C(C)(C)NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)N2CCCCC2)cc1 1867745699 KORYHPHTRMGGCB-MUUNZHRXSA-N 618.244 4.432 10 10 KICE CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OCCCOc4c(C)cccc4C)cc3)C(=N)N21 2297345607 LIUJYEWQTYPWJN-UHFFFAOYSA-N 526.640 4.163 10 10 KICE CC(C)COc1ccc(C=C2SC(N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)=NC2=O)cc1 2297576286 ISEPKDXLJPTPDB-UHFFFAOYSA-N 520.076 4.352 10 10 KICE CCCC[C@@H](CC)CN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2N2CCN(CC)CC2)SC1=S 33811953 RVWWNESSHUBFAH-MLPWYGTASA-N 515.749 4.125 10 10 KICE COCc1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(SCc2ccc(C(=O)N3CCCC3)cc2)n1 36053903 VLYLEVPYVNVKQH-UHFFFAOYSA-N 533.698 4.487 10 10 KICE Cc1c(N2C(=O)/C(=C\c3c(N4CCC(C)CC4)nc4ccccn4c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C 100850955 OLDUPYWZVFVIKR-OQKWZONESA-N 572.716 4.134 10 10 KICE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN(C)C)=C(N)O2 1864009948 GGXQQOAGTOHILF-HSZRJFAPSA-N 540.064 4.042 10 10 KICE Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCc1cccc(Cl)c1)[C@H]2c1ccc(O)c(O)c1 1864016122 HWUFRFCRFXBPIJ-NRFANRHFSA-N 502.958 4.163 10 10 KICE CC(=O)Oc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867722633 RSAICTQDAXNVDS-IOWSJCHKSA-N 556.707 4.362 10 10 KICE CSCC[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867822811 ZJJRYGDTAHXSIV-AZGAKELHSA-N 586.715 4.072 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCNC(=O)[C@@H]4c4ccc(F)cc4)nc(-c4ccccc4)n3)CC2)cc1 1869210580 PRIACNJPFDJSQS-LJAQVGFWSA-N 538.627 4.295 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccc(S(N)(=O)=O)cc3)C(=O)N([C@H](C)c3ccccc3)C2=O)cc1 1873164456 CLGLLIWFDJFOHU-JOCHJYFZSA-N 554.672 4.372 10 10 KICE COCCOC(=O)c1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C[C@@H]3CCCO3)C2=O)cc1 1873420262 WUFQFXWHTSDUGE-SANMLTNESA-N 543.620 4.268 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(N4CCCC4)cc3)C(=O)N(CCN3CCOCC3)C2=O)cc1 1873425853 NWVVTRXNQIPBSO-UHFFFAOYSA-N 539.680 4.219 10 10 KICE O=C1NC(=S)N(c2cccc(Br)c2)C(=O)C1=Cc1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 2294235448 RNAYAIWOKPHXQW-UHFFFAOYSA-N 525.340 4.376 10 10 KICE COc1ccccc1OCCn1cc(C=C2C(=O)NC(=O)N(Cc3cccs3)C2=O)c2ccccc21 2296215359 JCLZYVKGVANNKY-UHFFFAOYSA-N 501.564 4.452 10 10 KICE COc1ccc(CCN2C(=O)C(=C3C(=O)N(CC(=O)NCc4ccccc4)c4ccccc43)SC2=S)cc1OC 2296716174 CFROXLMFDGPZIO-UHFFFAOYSA-N 573.696 4.181 10 10 KICE CC(C)C(=O)N[C@H](Oc1ccc(C=C2SC(=S)N(CCC(=O)O)C2=O)cc1)C(Cl)(Cl)Cl 2297497548 QXOARTSOSHWIES-QGZVFWFLSA-N 525.863 4.210 10 10 KICE C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)CCN2C(=O)C(=Cc3cccs3)SC2=S)[C@@H]2CCS(=O)(=O)C2)o1 2314829242 RQHFZRIZNZIEDL-MDZRGWNJSA-N 550.749 4.272 10 10 KICE O=C(CCN1CCOCC1)NN1C(=O)/C(=C/c2ccc(-c3c(Cl)cccc3Cl)o2)SC1=S 35519429 HBKFIYIPPIJYCD-ATVHPVEESA-N 512.440 4.208 10 10 KICE COc1ccc(CCN2C(=O)/C(=C/c3c(C)c(C#N)c(=O)n(C)c3NCc3ccc4c(c3)OCO4)SC2=S)cc1OC 143277153 AFVMHJSXIBMFJB-ZMFRSBBQSA-N 604.710 4.367 10 10 KICE CCCCn1c(=C2SC(=S)N(c3ccccc3)C2=O)sc(=C2Sc3ccc(OC)cc3N2C)c1=O 254463269 NAUYAJOSDGHCIK-UHFFFAOYSA-N 541.745 4.199 10 10 KICE C[C@@H]1C[C@H]1c1ccc(CN(C(=O)CCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)[C@H]2CCS(=O)(=O)C2)o1 256043551 RBINRFGENLDREK-JJQKQPHPSA-N 562.710 4.349 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)CCCOc3ccc(C(C)(C)C)cc3)CC2)cc1 1862220228 SSIIJPSQWDMISB-MHZLTWQESA-N 507.675 4.492 10 10 KICE NC1=C(C(=O)NCc2ccco2)[C@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(Cc3cccc(F)c3)c2O1 1864015175 LHQBDHXJHLTZBT-LJQANCHMSA-N 544.461 4.105 10 10 KICE NC1=C(C(=O)NCCc2ccccc2)[C@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3ccccn3)c2O1 1864016528 RNVRWNTXSQQMNQ-AREMUKBSSA-N 545.599 4.399 10 10 KICE CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCc3ccccc3C1)=C(N)O2 1865032848 MPMJSXAMYKEDHF-AREMUKBSSA-N 522.605 4.434 10 10 KICE CCc1ccc(-c2nc(CC(=O)NC(C)(C)C(=O)N3CCN(c4ccc(OC)cc4)CC3)c(C)o2)cc1 1868993070 QSEOZIAHWYTGTN-UHFFFAOYSA-N 504.631 4.007 10 10 KICE Cc1ccc(OCCn2cc(C=C3C(=O)NC(=S)N(C)C3=O)c3cc(Br)ccc32)cc1C 2313624104 MNNAQUNRJZTEEW-UHFFFAOYSA-N 512.429 4.356 10 10 KICE CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1cccc(OC)c1 103753469 KYJQSBOVNODLEH-MGXIGDRJSA-N 539.657 4.010 10 10 KICE CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C/c3cc(Br)cc(Br)c3O)C2=O)c1 103846324 FDXRXYKFYDJULS-ZSOIEALJSA-N 554.191 4.381 10 10 KICE CN1C(=O)C(=Cc2ccc(Sc3nc4ccc(N5C(=O)[C@@H]6[C@H]7C=C[C@@H](C7)[C@H]6C5=O)cc4s3)c([N+](=O)[O-])c2)C(=O)N(C)C1=O 253578990 ZAUVWUILAHZWOB-HXJYVALZSA-N 615.649 4.101 10 10 KICE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)NCCC(C)C)[C@@H]3c2ccc(O)c(O)c2)cc1 1864015235 MXONQRAYUHJZNM-LJQANCHMSA-N 532.519 4.168 10 10 KICE CC[C@@H](C)NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1 1864015286 OAEPGIIVPPEBHT-ACJLOTCBSA-N 502.493 4.220 10 10 KICE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCc1ccc(C)cc1)[C@H]2c1ccc(O)c(O)c1 1864016344 MWFKNKOMVFBXFV-DEOSSOPVSA-N 510.594 4.343 10 10 KICE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCC1)=C(N)O2 1865034920 HSOFBQJGZUIUTJ-JOCHJYFZSA-N 526.996 4.405 10 10 KICE CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc[nH]1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865610119 DNLQXNHROATSDN-SANMLTNESA-N 538.652 4.123 10 10 KICE CSCC[C@@H](NC(=O)c1cccc(N2CCCC2=O)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866614861 LCCGYIMFPPNJLE-XMMPIXPASA-N 541.629 4.079 10 10 KICE CCC[C@@H](NC(=O)c1cc(OC)c(OC)c(OC)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867338053 AKPKCVLMMWGZFN-RPBOFIJWSA-N 540.705 4.020 10 10 KICE COCCCN1C(=O)c2ccc(C(=O)N[C@H](Cc3ccccc3)C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O 1867517455 DVJDINQDCHTQAF-CZNDPXEESA-N 639.797 4.070 10 10 KICE CCOCCCN1C(=O)C(NCc2ccc(OC)c(OC)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873168790 JQSSRPMZNWHGDD-UHFFFAOYSA-N 517.626 4.408 10 10 KICE CC[C@@H](C)N1C(=O)C(=Cc2c(NCc3ccc4c(c3)OCO4)nc3ccc(C)cn3c2=O)SC1=S 2296541860 AVJZCIXKTBDMPG-OAHLLOKOSA-N 508.625 4.343 10 10 KICE CN(C)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N(C[C@@H]3CCCO3)C2=O)c1 2297470935 LAXFUYDCYDGAKO-NRFANRHFSA-N 554.719 4.170 10 10 KICE CCCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(c2c(C)n(C)n(-c3ccccc3)c2=O)C1=O 2314413673 DMYIZCBXECOXBS-UHFFFAOYSA-N 546.678 4.028 10 10 KICE CCCCNc1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O 33781310 AVJWEUYMSGPURZ-JAIQZWGSSA-N 508.625 4.345 10 10 KICE CCNC(=O)N1c2ccc(OC)cc2C(=C2SC(C(=O)OC)=C(C(=O)OC)S2)C(=S)C1(C)C 34705392 VYJWTNVCEAQCFJ-UHFFFAOYSA-N 508.643 4.099 10 10 KICE CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCc4cccc(C(=O)O)c4)c(OC)c3)C2=O)cc1 59250296 VHKBZHKUCUFKPW-HMAPJEAMSA-N 500.507 4.201 10 10 KICE COc1cc(/C=C2\C(=O)NN(c3ccc(I)cc3)C2=O)ccc1OCc1ccc(F)cc1 100313095 VPWVKSUOYWHJBA-UDWIEESQSA-N 544.320 4.479 10 10 KICE Cc1ccc2nc(N3CCC[C@@H](C)C3)c(/C=C3/SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(=O)n2c1 100886087 QBTBWDAOEKADHC-CNPYVQQSSA-N 534.663 4.369 10 10 KICE CCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CCC)c2N2CCN(Cc3ccccc3)CC2)SC1=S 110525099 RXVIYRYVYJZJQN-ULJHMMPZSA-N 535.739 4.372 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4cccc(C(=O)OC)c4)c3C)c(=O)n2[C@@H]1c1ccc(OC)cc1 252669270 HAPKCIXXSVAWOS-MUUNZHRXSA-N 585.682 4.001 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 254516228 AUXCSMFMBXTIAG-HHHXNRCGSA-N 572.643 4.341 10 10 KICE CC[C@@](C)(NC(=O)c1cc(C)n(-c2cccc(Cl)c2)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861886986 ZJBSSOZANXXHHV-HHHXNRCGSA-N 510.038 4.090 10 10 KICE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccco1)=C(N)O2 1864012621 FLRFSKVAPVKFCI-QHCPKHFHSA-N 518.545 4.038 10 10 KICE NC1=C(C(=O)NC2CCCC2)[C@@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(Cc3ccc(F)cc3)c2O1 1864014858 FBYGUGPVGSPIMC-IBGZPJMESA-N 532.494 4.254 10 10 KICE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)N[C@@H]1CCCC[C@H]1C)[C@H]2c1ccc(O)c(O)c1 1864017316 JOOYAVBIVSYUPO-LQNXUBFPSA-N 518.614 4.379 10 10 KICE Cc1cccc(-c2nc(CC(=O)N[C@H](C)C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c(C)o2)c1 1866645203 ZMRUHJFARAIYSN-QGZVFWFLSA-N 507.546 4.420 10 10 KICE CCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(CC(C)C)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867420620 SEYRXUQQGLJQEW-VMPREFPWSA-N 575.754 4.247 10 10 KICE COCCN1[C@H](C)CN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(-c3ccccc3)n2)C[C@H]1C 1869203881 RRVDYISSUDJPDN-DNQXCXABSA-N 516.690 4.024 10 10 KICE COc1ccc(N2CCN(c3nc(=NCc4ccc(O)cc4)nc(Nc4ccc(Cl)cc4)[nH]3)CC2)cc1 1871524528 KXSHZLRQCRJPFY-UHFFFAOYSA-N 518.021 4.343 10 10 KICE COc1ccc(N2CCN(c3nc(=NCCCN(C)C)nc(Nc4ccc(C(C)(C)C)cc4)[nH]3)CC2)cc1 1871556891 VZSYPMJIXVCKKZ-UHFFFAOYSA-N 518.710 4.033 10 10 KICE CCCCN(C)C(=O)c1cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc2n1Cc1ccco1 1873563037 FGGAMOBNJIYHJU-UHFFFAOYSA-N 502.619 4.280 10 10 KICE COc1cccc(OCCOc2c(Br)cc(C=C3C(=O)NN(c4ccccc4)C3=O)cc2OC)c1 2293381579 UUZPHSARPARIPT-UHFFFAOYSA-N 539.382 4.386 10 10 KICE COc1cccc(/C=C/C(=O)Nc2ccc3nc(N4CCN(c5ncccn5)CC4)cc(C)c3c2)c1OC 3650193 YVUCIOUBAJZJAO-DHZHZOJOSA-N 510.598 4.329 10 10 KICE CCSC1=NSC2=NC(=O)/C(=C\c3ccc(OCCOc4ccccc4OC)c(OC)c3)C(=N)N12 20114657 BMQOTDZIMCUCDK-SQPBVYQDSA-N 512.613 4.491 10 10 KICE CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 103567520 OPTJAKIZORNOMU-WOJGMQOQSA-N 531.344 4.071 10 10 KICE CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1ccc(F)cc1 103753780 RTRHHHYINXEAAU-OLIAQGHGSA-N 527.621 4.141 10 10 KICE O=C1N=C(N2CCOCC2)S/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCC2)c1 110556861 QIFABQHOOTYDEW-NCELDCMTSA-N 563.705 4.016 10 10 KICE Cc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1Cl)=C(N)O2 1864011868 MDZPKJIFMZQYHV-DEOSSOPVSA-N 534.975 4.455 10 10 KICE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cccs1)=C(N)O2 1864012221 UTOOBJZPEXMBNK-QHCPKHFHSA-N 537.041 4.419 10 10 KICE CCCOc1ccc(NC(=O)c2cc(OC(C)=O)c3c(c2)C(=O)c2cccc(OC(C)=O)c2C3=O)cc1 1873927379 DRBVWZYZEWXIDP-UHFFFAOYSA-N 501.491 4.354 10 10 KICE C[C@H](c1ccccc1)N1C(=O)C(=Cc2c(N3CCC4(CC3)OCCO4)nc3ccccn3c2=O)SC1=S 2314433839 VDIMNIHUYUDAQH-GOSISDBHSA-N 534.663 4.000 10 10 KICE CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@@H]1c1cccs1 58825564 BNXTZRMGIOZPQP-MGSPXPDISA-N 521.639 4.406 10 10 KICE CCOC(=O)c1c(NC(=O)COc2ccc(/C=C3/SC(=S)N(C)C3=O)cc2OC)sc(C)c1C 211913507 PXSFZJCIYRVXED-LICLKQGHSA-N 520.654 4.399 10 10 KICE CC1(C)COCCC[C@@H]2CN(Cc3ccc(O)c(O)c3)CC[C@H]2CC(=O)N(Cc2ccccc2)C[C@@H]1O 1614974531 KWARYTRRTLXNEV-OARDWFSCSA-N 510.675 4.152 10 10 KICE C[C@H](O)[C@@H](C(=O)O)N1C(=O)/C(=C\c2cn(CCOc3ccc(Cl)cc3)c3ccccc23)SC1=S 1858595509 BXKQZEBBEMYYJH-XPEABUTISA-N 517.028 4.409 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)c3ccccc3C(F)(F)F)CC2)cc1 1861924439 HWZXQPSBITVYGZ-VWLOTQADSA-N 511.544 4.404 10 10 KICE Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccco1)=C(N)O2 1864010096 PEUQLXUFKWAZOE-JOCHJYFZSA-N 524.936 4.048 10 10 KICE CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccs1)=C(N)O2 1864017294 JHQBNZJBDTXAHA-JOCHJYFZSA-N 502.596 4.227 10 10 KICE CCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCN(c3ccccc3OC)CC2)n1 1867975908 RTUYAPITCKZGRP-UHFFFAOYSA-N 502.663 4.100 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCC(N(C)C)CC4)nc(-c4cccc(OC)c4)n3)CC2)cc1 1867992737 HZVCXJYGYDUOAK-UHFFFAOYSA-N 502.663 4.018 10 10 KICE CCc1nc(N2CCC(CS(=O)(=O)c3ccccc3)CC2)cc(N2CCN(c3ccc(OC)cc3)CC2)n1 1869124975 RKKYACXGBNZPQT-UHFFFAOYSA-N 535.714 4.065 10 10 KICE COCCCN1C(=O)C(Nc2ccc(N3CCN(C)CC3)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873419687 AAVSRDBFRMFYNZ-UHFFFAOYSA-N 527.669 4.074 10 10 KICE CCc1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1874643344 XDJUYBCFLBLJAO-LJAQVGFWSA-N 510.638 4.429 10 10 KICE CC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)C1=CNc1ccc(S(=O)(=O)N2CCOCC2)cc1 2297550892 ZDBLTVSRRKSGSI-UHFFFAOYSA-N 529.833 4.386 10 10 KICE Cc1cc(Br)c(N2C(=O)NC(=O)C(=Cc3cccc(I)c3)C2=O)cc1C 2313548384 UWGGEFHZDTUHSG-UHFFFAOYSA-N 525.140 4.337 10 10 KICE Cc1ccc2nc(NC[C@H]3CCCO3)c(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)c(=O)n2c1 33516563 NZKKEINUFBFIBG-BWCLHNGZSA-N 506.653 4.038 10 10 KICE COc1cc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc(Cl)c1OC(=O)c1ccco1 97492633 XLYOLJCUKFEVME-SIJPIJEQSA-N 507.915 4.223 10 10 KICE O=C1/C(=C/c2ccc(F)cc2)SC(=S)N1CC(=O)N(Cc1c(F)cccc1Cl)[C@@H]1CCS(=O)(=O)C1 101283078 VRUQSWQJGAGHFU-HSGPEQJXSA-N 557.065 4.035 10 10 KICE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C(=O)OCCOC)cc3)[C@H]2c2ccc(O)c(O)c2)cc1 526563678 VIMZWXFHLYRHNZ-VWLOTQADSA-N 505.523 4.357 10 10 KICE CCOC(=O)c1c(NC(=O)C(=O)N=c2cc[nH]c(C)c2)sc(C)c1-c1ccc(Br)cc1 1860747099 UTNMIJOJBGGHCO-UHFFFAOYSA-N 502.390 4.365 10 10 KICE CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCc1ccccc1)=C(N)O2 1864018101 CKTRQVWTFZTKGQ-SANMLTNESA-N 542.611 4.488 10 10 KICE COc1cc(C(=O)N[C@H](C)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c(Br)c(OC)c1OC 1867451428 SIMAFMVMQSQZMR-XMSQKQJNSA-N 591.547 4.003 10 10 KICE CC[C@](C)(NC(=O)c1ccc([N+](=O)[O-])c(C)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867872429 BWHHAPTXQSVVQD-NAKRPHOHSA-N 509.651 4.211 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)Cc3nc(-c4ccc(Cl)cc4)oc3C)CC2)cc1 1868650222 DLJDYSWRRWUGHP-DEOSSOPVSA-N 557.116 4.441 10 10 KICE CCC[C@@H](NC(=O)[C@H](C)c1ccc(Br)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868837158 BIDLGCOQARDITF-WZONZLPQSA-N 502.453 4.195 10 10 KICE COc1ccc(N2CCN(CCC(=O)c3ccc(OC(=O)c4cc(OC)cc(OC)c4)cc3)CC2)cc1 1874740058 KECISVKIPVQIQI-UHFFFAOYSA-N 504.583 4.327 10 10 KICE CN(Cc1ccccc1)c1nc2ccccn2c(=O)c1C=C1SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O 2296697728 FJALRRFPNDFTJK-UHFFFAOYSA-N 542.642 4.461 10 10 KICE O=C1C(=Cc2cccs2)SC(=S)N1CCC(=O)N(Cc1ccc(N2CCCCC2)o1)[C@@H]1CCS(=O)(=O)C1 2314828792 KDGZIEVMVNHVDM-GOSISDBHSA-N 579.791 4.139 10 10 KICE CC(C)c1nc2c(Cl)cc(C(F)(F)F)cn2c1C=C1SC(=S)N([C@@H](C(=O)O)[C@H](C)O)C1=O 2323823522 OEYVVCSBQIKAEQ-RMLUDKJBSA-N 507.943 4.165 10 10 KICE CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C(=O)OC)c4)c3C)c(=O)n2[C@@H]1c1ccc(OC)cc1 2797405 HAPKCIXXSVAWOS-YNMQQHPQSA-N 585.682 4.001 10 10 KICE COc1ccc(CN2C(=O)/C(=C\c3c(N4CCCCCC4)nc4ccccn4c3=O)SC2=S)cc1 33468026 YTOWSQHUVKVXEV-LTGZKZEYSA-N 506.653 4.485 10 10 KICE COc1ccc(CCNc2c(/C=C3\SC(=S)N(CC(C)C)C3=O)c(C)c(C#N)c(=O)n2C)cc1OC 40066571 KNSLWSRMZKBWJJ-UUYOSTAYSA-N 526.684 4.094 10 10 KICE Cc1cc(N2C(=O)NC(=O)/C(=C\c3c(C)nn(-c4ccc([N+](=O)[O-])cc4)c3C)C2=O)ccc1Br 103811515 HGQXEOJWZSCOKG-YBFXNURJSA-N 524.331 4.135 10 10 KICE CC(C)(C)c1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 210722036 GPXSOOWUZAGUAF-HMMYKYKNSA-N 517.698 4.252 10 10 KICE COc1cc(/C=C2/SC(=S)N(CCCCCC(=O)Nc3ccc(C(=O)O)cc3)C2=O)ccc1O 210745371 KRKYJMVSJLHRPG-XSFVSMFZSA-N 500.598 4.499 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Cl)c4ccccc4n3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 1084426348 HUHUVPVFSLJUEP-VWLOTQADSA-N 533.053 4.066 10 10 KICE CCOC(=O)c1c(NC(=O)C(=O)NC[C@H](c2ccc(OC)cc2)N(C)C)sc(C)c1-c1ccccc1 1860760122 SSLKHNGISSRKEY-OAQYLSRUSA-N 509.628 4.266 10 10 KICE CCc1sc(NC(=O)C(=O)NCc2ccc(C(=O)O)cc2)c(C(=O)OC)c1-c1ccc(Br)cc1 1860763501 JFNWSPBGBFANFH-UHFFFAOYSA-N 545.411 4.480 10 10 KICE Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCC(C)C)=C(N)O2 1864009364 GCDKQBPEZZFINE-JOCHJYFZSA-N 514.985 4.300 10 10 KICE Cc1cccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3Cc3cccc(F)c3)[C@H]2c2ccc(O)c(O)c2)c1 1864012120 RPVHTCCQESRHAL-RUZDIDTESA-N 514.557 4.110 10 10 KICE CCCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(F)cc1)=C(N)O2 1864012671 GEKLGJMTYCGGOC-SANMLTNESA-N 542.611 4.488 10 10 KICE CC(C)CCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1864014758 BSXLMYSTSXLLML-IBGZPJMESA-N 516.520 4.218 10 10 KICE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N[C@@H](C)c1ccccc1)[C@@H]2c1ccc(O)c(O)c1 1864022661 PRIRWFZGALQEGZ-SCLBCKFNSA-N 502.493 4.295 10 10 KICE CC[C@@](C)(NC(=O)c1cc(C)n(-c2ccc(Br)cc2)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868767107 DJBDICXITSAHAV-HHHXNRCGSA-N 554.489 4.199 10 10 KICE COC(=O)c1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(Cc3ccncc3)C2=O)cc1 1873164964 AUHAWCSVEKPPPO-UHFFFAOYSA-N 520.589 4.346 10 10 KICE O=C1N=C(N2CCN(c3ccccc3)CC2)SC1=Cc1ccc(OS(=O)(=O)c2ccccc2)cc1 2296441433 KKDYFBIRUPAIFP-UHFFFAOYSA-N 505.621 4.247 10 10 KICE O=C(CN1C(=O)C(=Cc2cc(Br)cc(Br)c2O)SC1=S)Nc1ccc(C(=O)O)cc1 2314828979 XRCOBASWHZNSBP-UHFFFAOYSA-N 572.256 4.455 10 10 KICE C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)CCN2C(=O)C(=Cc3ccc(F)cc3)SC2=S)[C@H]2CCS(=O)(=O)C2)o1 2314829200 RBINRFGENLDREK-PBEJRMEISA-N 562.710 4.349 10 10 KICE Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C\C(=O)OCC(=O)c1cc(C)n(-c2ccccc2)c1C 34846216 HPHHZBZRTUAJNJ-QJRAZLAKSA-N 516.019 4.051 10 10 KICE CC[C@H](C)N1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2N2CCN(Cc3ccccc3)CC2)SC1=S 110521703 URDWPKXFVFZAQT-UZXDDYOISA-N 535.739 4.370 10 10 KICE COc1ccc(/C=C2/SC(=S)N(CC(=O)N(Cc3ccc(N(C)C)cc3)C[C@@H]3CCCO3)C2=O)cc1 205611372 SEUCVTOXASPAGW-GVFUYMABSA-N 525.696 4.170 10 10 KICE NC1=C(C(=O)NCc2ccc(F)cc2)[C@@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3ccccn3)c2O1 1864016525 RLXVPDPITUHNBS-VWLOTQADSA-N 549.562 4.496 10 10 KICE CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCc1ccco1)[C@@H]2c1ccc(O)c(O)c1 1864016872 ZHXGWWSFTVVDIJ-JOCHJYFZSA-N 500.555 4.221 10 10 KICE C[C@@H](NC(=O)[C@H](C)c1ccc(Br)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866933391 GQISEFPLZWFMGL-HUUCEWRRSA-N 505.368 4.471 10 10 KICE CN(C)c1ccc([C@@H](CNC(=O)c2ccc3c(c2)C(=O)N([C@@H](Cc2ccccc2)C(=O)O)C3=O)N2CCCCC2)cc1 1868025473 QJNSZJXFFHTYLC-URLMMPGGSA-N 568.674 4.002 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCN[C@@H](c5ccc(F)cc5)C4=O)nc(-c4ccccc4)n3)CC2)cc1 1869210645 RFSZAVNTGSVHSQ-LJAQVGFWSA-N 538.627 4.295 10 10 KICE COCCN1[C@H](C)CN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(-c3ccc(F)cc3)n2)C[C@H]1C 1869275784 ZUPYNOXHKRTGMA-DHIUTWEWSA-N 534.680 4.163 10 10 KICE CCCCc1ccc(Nc2nc(=NCCCN(C)C)nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]2)cc1 1871502635 WKQILTFODKUEPE-UHFFFAOYSA-N 518.710 4.079 10 10 KICE CCOc1cc(C=C2C(=O)NC(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)c(Br)cc1OC 2297578511 HKAUDDKSLNXYNG-UHFFFAOYSA-N 539.766 4.193 10 10 KICE COc1ccc(CCN2C(=O)C(=Cc3c(N4C[C@@H](C)O[C@H](C)C4)nc4c(C)cccn4c3=O)SC2=S)cc1OC 2314400190 KNBFAFNWTJWMIX-RTBURBONSA-N 580.732 4.078 10 10 KICE COc1ccc(C=C2SC(=S)N(CCC(=O)N(Cc3c(F)cccc3Cl)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 2314603313 DNMZRQQXCAQBHW-QGZVFWFLSA-N 583.128 4.295 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H]3c4cc(OC)c(OC)cc4C(=O)N(C)[C@@H]3c3ccccc3F)CC2)cc1 4760721 BYFQUMJVTKNWJO-VSGBNLITSA-N 533.600 4.111 10 10 KICE COc1ccc(N2CCN(C(=O)c3ccc(C[S@@](=O)c4ccc(Br)cc4)o3)CC2)cc1 9693879 YMDXFKFTUNSZSW-HKBQPEDESA-N 503.418 4.321 10 10 KICE COCCN1C(=O)c2ccccc2[C@H](C(=O)N2CCN(c3ccc(OC)cc3)CC2)[C@@H]1c1ccc(F)cc1 9780716 GVPFBQJSHGEAEX-NSOVKSMOSA-N 517.601 4.110 10 10 KICE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CC(=O)O)C3=O)c(Oc3ccc(Cl)cc3Cl)nc12 101063119 ZLANGLIQUQLOFK-OVCLIPMQSA-N 522.391 4.388 10 10 KICE C[C@@H]1C[C@H]1c1ccc(CN(C(=O)CCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)[C@@H]2CCS(=O)(=O)C2)o1 101911373 RBINRFGENLDREK-CDUXYWMQSA-N 562.710 4.349 10 10 KICE O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C\c1cn(CCOc2ccc3c(c2)OCO3)c2ccccc12 103661570 QDCXOCHVNUBAMK-HMAPJEAMSA-N 501.539 4.244 10 10 KICE O=C(O[C@H]1Cc2c(O)cc(O)cc2O[C@H]1c1cc(=O)c(O)c2c(O)c(O)cc([C@@H]3Oc4cc(O)cc(O)c4C[C@@H]3OC(=O)c3cc(O)c(O)c(O)c3)c2c1)c1cc(O)c(O)c(O)c1 150338650 ZEASWHWETFMWCV-BSEIRQEISA-N 868.709 4.176 10 10 KICE endogenous,in-man COc1ccc(/C=C2/SC(=S)N(CCC(=O)N(Cc3ccc(N4CCCCC4)o3)[C@H]3CCS(=O)(=O)C3)C2=O)cc1 207308812 PMRBDXWZHXRNLV-MQMHFVAESA-N 603.788 4.086 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)cc3)c(=O)n2[C@@H]1c1ccc(SC)cc1 254818984 SWAQXLPCMOCYEX-RUZDIDTESA-N 521.708 4.366 10 10 KICE CCOCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1864007222 HYCNMWCZUOFHNO-NRFANRHFSA-N 533.412 4.136 10 10 KICE Cc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(F)cc1)=C(N)O2 1864008570 NFMARFRFVSVZNK-DEOSSOPVSA-N 534.975 4.438 10 10 KICE CC[C@H](C)NC(=O)C1=C(N)Oc2c(c(C)nn2Cc2c(F)cccc2Cl)[C@@H]1c1ccc(O)c(O)c1 1864009702 KOZRGCUVLAIYCR-QKVFXAPYSA-N 500.958 4.053 10 10 KICE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NCCc1ccccc1)[C@@H]2c1ccc(O)c(O)c1 1864017848 WUVYVDXRJDKWOS-RUZDIDTESA-N 540.620 4.433 10 10 KICE CCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCC1)=C(N)O2 1864018634 PLRZAUHBHMEGKP-HSZRJFAPSA-N 506.578 4.188 10 10 KICE Cc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](C)C1)=C(N)O2 1865025975 HACGCYHELXPERS-WNSKOXEYSA-N 509.006 4.258 10 10 KICE CC[C@H](NC(=O)c1cc(Cl)ccc1OC)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867609520 LIWZMTGPBPBOAJ-BJKOFHAPSA-N 501.071 4.266 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)Cc3nc(-c4ccc5c(c4)OCO5)oc3C)c3ccccc3)CC2)cc1 1868998814 VLTIORUEOBNHJZ-PMERELPUSA-N 568.630 4.136 10 10 KICE CC[C@H](NC(=O)c1cc(C2CC2)n2nc(-c3ccccc3)cc2n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869003133 NHMWZYCUGIBHLL-VWLOTQADSA-N 538.652 4.140 10 10 KICE COc1ccc(N2CCN(c3cc(N(C(=O)[C@@H]4CCCN4)c4cc(C)on4)nc(-c4cccc(OC)c4)n3)CC2)cc1 1869305189 WWPRJTPMSBFELP-SANMLTNESA-N 569.666 4.201 10 10 KICE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@H]3CC[C@H](Cn4c(O)nc5ccccc5c4=O)CC3)cccc21 1874017636 UCAGMARZEMIFFB-IYARVYRRSA-N 507.546 4.323 10 10 KICE COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3Cl)C2=O)ccc1OCC(=O)O 16915175 XKSSEFHJWVLJCL-FRKPEAEDSA-N 513.380 4.012 10 10 KICE Cc1cc(C)cc(N2C(=O)N=C(O)/C(=C/c3cc(I)c(O)c([N+](=O)[O-])c3)C2=O)c1 33247510 JSQHXANWOUYTHT-MLPAPPSSSA-N 507.240 4.029 10 10 KICE C=CCNc1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(CCc2ccc(OC)c(OC)c2)C1=O 33524726 VPJQWSNWLJRXIM-STZFKDTASA-N 522.652 4.062 10 10 KICE COc1ccc(N2CCN([C@H](CNC(=O)c3cc(OC)ccc3Br)c3ccco3)CC2)cc1 38606932 MLLQPMJFFIZUIC-HSZRJFAPSA-N 514.420 4.353 10 10 KICE Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc2c(c1O)C[C@H](O)[C@@H](c1ccc(O)c(O)c1)O2 96095371 PBYRKMXDROOXMU-XKDUFCMJSA-N 866.781 4.444 10 10 KICE in-vitro NC1=C(C(=O)NCc2ccco2)[C@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(Cc3ccc(F)cc3)c2O1 1864015465 RTPXLQALSRHZDH-LJQANCHMSA-N 544.461 4.105 10 10 KICE CCC[C@H](NC(=O)CCCc1ccc2c(c1)OCCO2)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866789655 OJMFKBHSPDDQIM-DEOSSOPVSA-N 526.589 4.480 10 10 KICE CN(C)c1ccc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867891035 SLEGNJINBRBSFM-CONSDPRKSA-N 557.739 4.209 10 10 KICE COc1ccc(N2CCN(S(=O)(=O)c3ccc(OCc4cc(Cl)cc5c4OCOC5)cc3)CC2)cc1 1872725485 LHNGHKOIZJUGJR-UHFFFAOYSA-N 531.030 4.305 10 10 KICE COC(=O)c1c(C(F)(F)F)nn([C@H](c2ccc(OC)cc2O)C2(C)CC2)c1I 2079861625 KWIXLYOFXCPIEK-CQSZACIVSA-N 510.250 4.397 10 10 KICE COc1ccc(N2CCN(C(=O)CCC(C)=CCc3c(OC)c(C)c4c(c3OC)C(=O)OC4)CC2)cc1 2297476101 AJFIQMOTCUBOCY-UHFFFAOYSA-N 508.615 4.309 10 10 KICE CNc1c(I)cc(C=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1I 2313510358 YYZZCBUHVXWILU-UHFFFAOYSA-N 607.573 4.257 10 10 KICE CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(I)c(OCC)c(OCC)c3)C2=O)cc1 2313518559 JDJUYLNPPNGZCS-UHFFFAOYSA-N 550.349 4.154 10 10 KICE Cc1c(N2C(=O)C(=Cc3c(N4CCCC[C@H]4C)nc4ccccn4c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C 2314414211 SMFQFFRQAYNMQR-GOSISDBHSA-N 572.716 4.277 10 10 KICE CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1 33353455 HALYNTKEVFPDKW-BIWBSIMWSA-N 572.643 4.123 10 10 KICE Cc1cc(I)ccc1NC(=O)CNCc1cc(Cl)cc(Br)c1O 1860721395 RSZXOHJGMDBLRP-UHFFFAOYSA-N 509.569 4.449 10 10 KICE O=C(O)CCCN1C(=O)/C(=C\c2cn(CC(=O)OCCc3ccccc3)c3ccccc23)SC1=S 1860827111 SJFIBTFEDNWUCC-PXLXIMEGSA-N 508.621 4.493 10 10 KICE CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(CC)CC)=C(N)O2 1864011608 WMPBTVXLYQBASY-HSZRJFAPSA-N 540.064 4.042 10 10 KICE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)NCCC(C)C)[C@H]3c2ccc(O)c(O)c2)cc1 1864015234 MXONQRAYUHJZNM-IBGZPJMESA-N 532.519 4.168 10 10 KICE CCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc3ccccc23)[C@@H]1c1ccc(O)c(O)c1 1864021566 CRTSNSUXNRWWDW-IBGZPJMESA-N 510.472 4.286 10 10 KICE Cc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@]3(C)C[C@H]1CC(C)(C)C3)=C(N)O2 1865026929 TWAQRPVMVYADGP-XGGVPNMNSA-N 515.614 4.109 10 10 KICE COc1cc(Cl)c(OC)c2c(=O)c(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)c[nH]c12 1866440397 FONOLZGQIKFHSK-NRFANRHFSA-N 513.038 4.222 10 10 KICE O=C(C[C@@H]1CCCCO1)N[C@@H](Cc1ccc(F)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867244004 LZYHUESFRXFWCF-CPJSRVTESA-N 514.553 4.226 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCN(C(=O)c5cc6ccccc6[nH]5)CC4)nc(C(C)C)n3)CC2)cc1 1869094881 WHFVEGSYSSSRBK-UHFFFAOYSA-N 539.684 4.379 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc4c(c3)OCO4)C(=O)N(CCCn3ccnc3)C2=O)cc1 1873424017 XCZUEIGQTBBGAI-UHFFFAOYSA-N 509.566 4.302 10 10 KICE CCN(CC)CCCN1C(=O)C(Nc2ccccc2S(C)(=O)=O)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873425399 WZHKFKAHNYTNRN-UHFFFAOYSA-N 548.709 4.422 10 10 KICE Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(OCC(=O)O)c(I)c3)C2=O)cc1Cl 2294118640 INKSCZVIKXNBFB-UHFFFAOYSA-N 619.593 4.145 10 10 KICE CCOc1ccc(-n2c(C)cc(C=C3C(=O)N(CC)c4ccc(S(=O)(=O)N5CCOCC5)cc43)c2C)cc1 2297508985 FYQKYEGKRZYUCG-UHFFFAOYSA-N 535.666 4.421 10 10 KICE COc1ccc(CCN2C(=O)C(=Cc3c(N4CCCC4)nc4ccc(C)cn4c3=O)SC2=S)cc1OC 2314400517 OHVODLUVVNJXFC-UHFFFAOYSA-N 536.679 4.064 10 10 KICE COc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C(=O)NC2=S)c(OC)c1 59595972 CBCLTBHKBUFTJD-XNTDXEJSSA-N 513.915 4.357 10 10 KICE C[C@@H]1CCCN(C2=NC(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N4CCOCC4)c3)S2)C1 101013217 MSAZPIHYDCJUQY-OIHNEICTSA-N 577.732 4.262 10 10 KICE O=C(CN1C(=O)/C(=C/c2cc(Br)cc(Br)c2O)SC1=S)NCc1ccccc1 101966075 MRGPNTNNGRYDIB-CHHVJCJISA-N 542.274 4.435 10 10 KICE CCCn1c(NCc2ccc(OC)cc2)c(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)c(C)c(C#N)c1=O 143318153 DGMAGTFPODYKJZ-BKUYFWCQSA-N 540.667 4.125 10 10 KICE CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(OCc3cccc(C(=O)O)c3)c(OC)c2)C1=O 1083899318 JYTMYEPVMLZNFO-STZFKDTASA-N 500.507 4.201 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 1084457726 WRBBMWLXAJSUSW-SANMLTNESA-N 558.616 4.033 10 10 KICE Cc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(Cl)cc1)=C(N)O2 1864010998 CQJYYEJNZTYUSE-RUZDIDTESA-N 549.002 4.497 10 10 KICE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)N2CCCCC2)[C@@H]3c2ccc(O)c(O)c2)cc1 1865031225 BSOOHFZFKMBCAD-LJQANCHMSA-N 530.503 4.018 10 10 KICE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4-c4cccc(Cl)c4)[C@@H]3c3ccco3)CC2)cc1 1865303379 GHRPHHKJMYLOBU-VWLOTQADSA-N 546.027 4.479 10 10 KICE COCCCN1C(=O)c2ccc(C(=O)N[C@@H](Cc3ccc(F)cc3)C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O 1867514144 BUQZJXYWJWXIIF-LQJZCPKCSA-N 657.787 4.209 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccncc3)c3ccccc3)CC2)cc1 1868668833 HBVKLRSNTDTWHJ-ZWXJPIIXSA-N 548.687 4.493 10 10 KICE CCOC(=O)N1CCC(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCN(CC)CC)C2=O)CC1 1873162303 OYTHEXBKNJZHEX-UHFFFAOYSA-N 549.716 4.116 10 10 KICE Cc1ccsc1CN(C(=O)CCCN1C(=O)C(=Cc2ccc(F)cc2)SC1=S)[C@H]1CCS(=O)(=O)C1 2314600134 JNFUJAQJAOEAMG-IBGZPJMESA-N 552.740 4.393 10 10 KICE C[C@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3\SC(N4CCC(C(N)=O)CC4)=NC3=O)c2)C1 101014688 TWOSGVWQEAJCEM-CCPXZDFDSA-N 618.785 4.128 10 10 KICE O=C1/C(=C/c2ccc(F)cc2)SC(=S)N1CCC(=O)N(Cc1c(F)cccc1Cl)[C@@H]1CCS(=O)(=O)C1 101283088 FKCHQMFBZDMJSX-CTPANLQCSA-N 571.092 4.425 10 10 KICE COc1ccc(CCN2C(=O)/C(=C/c3c(N4CCC(C)CC4)nc4ccccn4c3=O)SC2=S)cc1OC 105603605 VWYRMWVVYCZJMO-QJOMJCCJSA-N 550.706 4.392 10 10 KICE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc2c(c1)C(=O)N(Cc1ccc3c(c1)OCO3)C2=O 1861862095 JLPZJQUQPAWCPY-UHFFFAOYSA-N 530.492 4.239 10 10 KICE CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H]1CCCC[C@H]1C)=C(N)O2 1864013553 CGDRERNKZRNYBA-QSAZIKIQSA-N 503.603 4.021 10 10 KICE CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1ccc(OCC)cc1 1865275673 DUUBGNJSPSZDTH-SANMLTNESA-N 531.657 4.052 10 10 KICE CCC[C@@H](NC(=O)Cc1ccc2nc(O)c(C)cc2c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866914945 RXMYBHMRNPUFIA-RUZDIDTESA-N 521.573 4.490 10 10 KICE Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1[N+](=O)[O-] 1867843780 CFVODVARMGCDDZ-FIBWVYCGSA-N 618.691 4.268 10 10 KICE COc1ccc([C@@H](C(=O)N[C@@H](C(=O)N2CCN(c3ccc(OC)cc3)CC2)C(C)C)C2CCCC2)cc1 1868882130 RXUCHEQTBQAPPI-WUFINQPMSA-N 507.675 4.467 10 10 KICE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccc([N+](=O)[O-])cc4)cn3CC(C)C)CC2)cc1 1870683436 ISTJGKKIKWKTKJ-UHFFFAOYSA-N 506.603 4.322 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3ccc(F)cc3)C(=O)N(C3CCN(C)CC3)C2=O)cc1 1873162073 FCWUHPVACXOHOS-UHFFFAOYSA-N 500.618 4.240 10 10 KICE COc1cc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C[C@@H]3CCCO3)C2=O)cc(OC)c1 1873419519 IXIWQKLPTLVJDC-QHCPKHFHSA-N 501.583 4.482 10 10 KICE CCOCCCN1C(=O)C(=Cc2c(N3CCN(c4ccc(F)cc4)CC3)nc3ccc(C)cn3c2=O)SC1=S 2296846603 CQEKYOPWRSBJFA-UHFFFAOYSA-N 567.712 4.096 10 10 KICE O=C1c2ccccc2C(=O)c2cc(CN3C(=O)[C@@H]4[C@H](C(=O)O)N[C@@H](c5ccc(-c6ccccc6)cc5)[C@@H]4C3=O)ccc21 105342812 GGHMOWKTCFFZFF-GIFPIDKJSA-N 556.574 4.028 10 10 KICE CCCn1c(N2C[C@H](C)O[C@H](C)C2)c(/C=C2\SC(=S)N(Cc3ccc(OC)cc3)C2=O)c(C)c(C#N)c1=O 110527902 VEURKWSIWNEXDQ-AQKUVPCKSA-N 552.722 4.462 10 10 KICE COc1c(Br)cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1Br 1084132631 KSGMZKCEGJWPHX-POHAHGRESA-N 514.170 4.191 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)c3c(F)cccc3Cl)CC2)cc1 1862299192 CAQCZUHRCVGPCV-XMMPIXPASA-N 513.972 4.317 10 10 KICE NC1=C(C(=O)NC2CCCCC2)[C@@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3ccccn3)c2O1 1864016534 RPVQZORADZRSEE-DEOSSOPVSA-N 523.593 4.489 10 10 KICE CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@H](C)C1)=C(N)O2 1865028967 CEBMLEYYTMVHJU-VBURHUQHSA-N 539.032 4.220 10 10 KICE CCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCCC1)=C(N)O2 1865033439 ZOVFYPSUYYXSPN-XMMPIXPASA-N 502.615 4.311 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)[C@@H](c3ccc(Cl)cc3)C3CC3)CC2)cc1 1868866815 BPWFUZXKBHIJMY-LOSJGSFVSA-N 516.107 4.429 10 10 KICE CC[C@](C)(NC(=O)CCc1csc(-c2ccccc2)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868906531 SEYFYXXTYCCAMF-NDEPHWFRSA-N 506.672 4.385 10 10 KICE CCOc1cccc(C(=O)Nc2nc(N3CCN(c4ccc(OC)cc4)CC3)nn2-c2ccc(OC)cc2)c1 1869970011 LSWOXFPUIDIVMX-UHFFFAOYSA-N 528.613 4.262 10 10 KICE CCCCCOC(=O)COc1cn(CCNC(C)=O)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870843806 MTNPIJRUKMMUGR-UHFFFAOYSA-N 520.630 4.452 10 10 KICE CCN(CC)CCN1C(=O)C(NCC2CCC(C(=O)OC)CC2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873170567 FWJWNLKWSDRPOZ-UHFFFAOYSA-N 534.701 4.085 10 10 KICE COc1cc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OCc1ccc(C(=O)O)cc1 2294005069 XAXGLXSELQVVIG-UHFFFAOYSA-N 522.966 4.457 10 10 KICE CCOCCCN1C(=O)C(=Cc2c(NCc3ccc(OC)cc3)nc3c(C)cccn3c2=O)SC1=S 2296697783 LIYNHGYEZBVLEW-UHFFFAOYSA-N 524.668 4.251 10 10 KICE Cc1ccc2nc(NCC(C)C)c(C=C3SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(=O)n2c1 2296732357 YVDAHGVQLSRLRC-UHFFFAOYSA-N 508.625 4.201 10 10 KICE O=C(O)CN1C(=O)/C(=C\c2c(Oc3ccc(Cl)cc3Cl)nc3ccccn3c2=O)SC1=S 39835830 ZOHBRPYSSNDUFJ-RIYZIHGNSA-N 508.364 4.079 10 10 KICE COc1ccc(/C=C2\SC(=S)N(CCC(=O)N3CCN(C4=NC(=O)/C(=C\c5ccc(C)cc5)S4)CC3)C2=O)cc1 100353387 NSAGNGZDZOVVAW-QEYUTVSCSA-N 592.768 4.410 10 10 KICE COc1ccc(C(=O)Oc2c(I)cc(/C=C3/SC(=S)NC3=O)cc2OC)cc1 103485259 SWVANYXBAFDNBM-OQLLNIDSSA-N 527.361 4.016 10 10 KICE CC(C)(C)C(=O)OC[C@@H]1O[C@H](N=[N+]=[N-])[C@@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C 105509491 ZRIINKFKQWXADE-ATIWLJMLSA-N 541.642 4.485 10 10 KICE COc1cccc(C2=C(O)C(=O)N(c3ccccc3N3CCOCC3)[C@@H]2c2ccc(O)c(O)c2)c1OC 526501197 JNDVDCWYWXLJOF-RUZDIDTESA-N 504.539 4.009 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)C(c3ccccc3)c3ccccc3)CC2)cc1 1862120638 RFLOSTFCTRBUHO-HHHXNRCGSA-N 517.695 4.414 10 10 KICE Cc1ccc(CCNC(=O)C2=C(N)Oc3c(c(C)nn3Cc3cccc(F)c3)[C@@H]2c2ccc(O)c(O)c2)cc1 1864011867 MDVGCWTVGJJKFU-SANMLTNESA-N 528.584 4.152 10 10 KICE CCCc1nn(CCC)c2c1[C@@H](c1ccc(F)cc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865517872 LZZGYTJIQUCDFK-RUZDIDTESA-N 533.648 4.437 10 10 KICE Cc1ccc(N2C(=O)c3ccc(C(=O)N[C@@H](c4ccc(N(C)C)cc4)c4nccn4C)cc3C2=O)c(C)c1 1865886818 VISNVAFWFIMEER-SANMLTNESA-N 507.594 4.423 10 10 KICE O=C(N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(-c2ccco2)on1 1866644943 RBRILXFHDSQLGW-QHCPKHFHSA-N 547.523 4.395 10 10 KICE CC(=O)Oc1ccc(C[C@H](NC(=O)c2ccccc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867774523 LCUCAHZYFGRLPW-IOWSJCHKSA-N 556.707 4.362 10 10 KICE Cc1cc(C)cc(OCCN2C(=O)C(NCCN(C)C)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)c1 1873164840 VEGKIAOINWWAGQ-UHFFFAOYSA-N 500.643 4.021 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCCN3CCOCC3)C(=O)N(C3CCCCCCC3)C2=O)cc1 1873169708 FTKUNLKPOOZZAE-UHFFFAOYSA-N 504.675 4.209 10 10 KICE COc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCN(C)C)C2=O)cc1[N+](=O)[O-] 1873421452 YTURODFVJATKRF-UHFFFAOYSA-N 517.586 4.155 10 10 KICE COc1ccc(CCN2C(=O)C(=C3C(=O)Nc4ccc(Br)cc43)SC2=S)cc1OC 2296664730 ZZBLOPGMEDFJCK-UHFFFAOYSA-N 505.415 4.233 10 10 KICE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 2313540989 IAVCCYNPXJJNSK-UHFFFAOYSA-N 571.007 4.490 10 10 KICE Cc1cccn2c(=O)c(C=C3SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)nc12 2314399404 XOAMBCATTJYPKW-UHFFFAOYSA-N 707.838 4.257 10 10 KICE C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)CCN2C(=O)C(=Cc3cccs3)SC2=S)[C@H]2CCS(=O)(=O)C2)o1 2314829237 RQHFZRIZNZIEDL-GJYPPUQNSA-N 550.749 4.272 10 10 KICE O=C1/C(=C\c2c(NC[C@@H](O)c3ccccc3)nc3ccccn3c2=O)SC(=S)N1Cc1ccccc1 102687490 XMUKLDIDKBMNQT-ODAUKNCYSA-N 514.632 4.241 10 10 KICE CCCCN(C)c1c(/C=C2/SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)c(C)c(C#N)c(=O)n1C 105632354 WEXAFJYWEXOFOY-HZHRSRAPSA-N 540.711 4.263 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)Cc3cc(OC)ccc3Cl)c3ccccc3)CC2)cc1 1861899673 XYLAEVNWGZMTRN-HHHXNRCGSA-N 508.018 4.106 10 10 KICE Cc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1OC(C)(C)C)=C(N)O2 1864009471 HZBOEONNKHMJMT-XMMPIXPASA-N 520.630 4.447 10 10 KICE NC1=C(C(=O)NCc2ccccn2)[C@@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3ccccc3)c2O1 1864013549 CCNYGSRZXKOTOZ-VWLOTQADSA-N 531.572 4.357 10 10 KICE CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)c1ccc(OC)c(OC)c1)=C(N)O2 1864013892 IHJNSBSCCZRQKB-FYSMJZIKSA-N 536.629 4.246 10 10 KICE CCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccs1)=C(N)O2 1864019507 KPTQKEFQVPYWBH-QHCPKHFHSA-N 516.623 4.286 10 10 KICE COC(=O)c1c(NC(=O)CCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)sc(C)c1-c1ccccc1 1866024208 QFNXHXAIMCHPGY-UHFFFAOYSA-N 507.524 4.433 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3cccc(OC(C)C)c3)C(=O)N(CCN3CCOCC3)C2=O)cc1 1873425569 GEXTTWSYQFJFGO-UHFFFAOYSA-N 528.653 4.406 10 10 KICE COc1cc(C=C2C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1OCc1cccc(C(=O)O)c1 2294095615 XBNPFXFHUMYNNG-UHFFFAOYSA-N 500.507 4.256 10 10 KICE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1cc(I)c(O)c(I)c1 2294118752 XFDLODIXHDSPMN-UHFFFAOYSA-N 638.981 4.030 10 10 KICE COc1ccc(CN2C(=O)C(=Cc3c(N4C[C@@H](C)O[C@H](C)C4)nc4ccc(C)cn4c3=O)SC2=S)cc1 2295987662 JYXGYIAFLYDUJL-QZTJIDSGSA-N 536.679 4.027 10 10 KICE CC1(C)COCCC[C@@H]2CN(Cc3ccc(O)c(O)c3)CC[C@@H]2CC(=O)N(Cc2ccccc2)C[C@H]1O 1614974530 KWARYTRRTLXNEV-INNMJMHTSA-N 510.675 4.152 10 10 KICE CCCCOCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(Cl)cc2)[C@H]1c1ccc(O)c(O)c1 1864011525 JDDRHHWJIWLPEQ-XMMPIXPASA-N 541.048 4.322 10 10 KICE CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(OC)cc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865642488 SLXVPAAJNMDLDE-AREMUKBSSA-N 545.684 4.162 10 10 KICE CC[C@H](NC(=O)c1cc(OC)c(OC)c(OC)c1Br)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867465220 WRWIKXXQFQNKMP-GOTSBHOMSA-N 605.574 4.393 10 10 KICE CCOc1ccc(-c2nc(N3CCN(c4ccc(OC)cc4)CC3)cc(N3[C@H](C)COC[C@H]3C)n2)cc1 1869335857 XQDXFBZMMFOFJC-FGZHOGPDSA-N 503.647 4.491 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)Cc4ccccc4F)n(-c4ccc(C)cc4)n3)CC2)cc1 1869970419 RFNAELYPXFNTQF-UHFFFAOYSA-N 500.578 4.231 10 10 KICE COc1ccc(N2CCN(C(=O)c3ccc4nc(SCC(=O)OCc5ccccc5)[nH]c4c3)CC2)cc1 1872825225 SEBRFOGRNPUYEU-UHFFFAOYSA-N 516.623 4.369 10 10 KICE Cc1cccn2c(=O)c(C=C3SC(=S)N(CCCc4ccccc4)C3=O)c(N3C[C@H](C)O[C@@H](C)C3)nc12 2296212929 PWTMQXXGVNQROC-PMACEKPBSA-N 534.707 4.451 10 10 KICE COc1cc(C=C2C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)ccc1OCc1ccc(Cl)cc1 2297307943 GEXJCLNTMJYORC-UHFFFAOYSA-N 511.987 4.381 10 10 KICE COc1c(I)cc(I)cc1C=C1C(=O)NN(c2cccc(Cl)c2)C1=O 2297319977 SVWIHVJGQHWUJQ-UHFFFAOYSA-N 580.547 4.019 10 10 KICE O=C(CN1C(=O)/C(=C2/SC(=S)N(C[C@H]3CCCO3)C2=O)c2ccccc21)Nc1ccc(Cl)cc1 33482316 UMGXXXQUGDVNNG-FVGNFYTDSA-N 514.028 4.076 10 10 KICE Cc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3nc(-c4ccc(S(C)(=O)=O)cc4)ns3)C2=O)cc1 102271475 SYMGUXXCRZINSR-AQTBWJFISA-N 544.705 4.147 10 10 KICE CC(C)(C)C(=O)OC[C@@H]1O[C@H](N=[N+]=[N-])[C@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C 252587657 ZRIINKFKQWXADE-AVEIZBFRSA-N 541.642 4.485 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)c(N(CC)CC)cc3OC)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 252670689 LLGMWSAJYZKZLM-AREMUKBSSA-N 628.545 4.144 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4cccc(C(=O)OC)c4)c3C)c(=O)n2[C@H]1c1cccs1 252676536 XJLZSRXNHSXGSF-VWLOTQADSA-N 561.685 4.054 10 10 KICE O=C(Cn1c2c(c3cc(F)ccc31)CCCC2)N1CCO[C@@]2(CCCCc3ccccc3OCCNC2=O)C1 643554564 FLCSFZRZQSBSLN-HKBQPEDESA-N 533.644 4.178 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)cc3)c(=O)n2[C@H]1c1ccc(Br)cc1 1772719888 LKINQJURZGRHJE-DEOSSOPVSA-N 554.510 4.407 10 10 KICE Cc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)C13CC4CC(CC(C4)C1)C3)=C(N)O2 1864011107 ZGWAYAFZIIIOKD-OPPMLGCBSA-N 541.652 4.403 10 10 KICE Cc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C(=O)NC[C@@H]2CCCO2)[C@@H]3c2ccc(O)c(O)c2)cc1 1864014497 WGEPOBZOUILART-WIOPSUGQSA-N 538.604 4.249 10 10 KICE NC1=C(C(=O)NCc2ccco2)[C@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(Cc3ccccc3F)c2O1 1864022569 OWJKCSIADHLEOS-LJQANCHMSA-N 544.461 4.105 10 10 KICE CCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](C)C1)=C(N)O2 1865033202 UMULQASFJPJPLC-OYHNWAKOSA-N 509.006 4.452 10 10 KICE CCCc1nn(CC)c2c1[C@@H](c1c[nH]c3ccccc13)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865367032 AKKGQABZPSHAOE-AREMUKBSSA-N 540.668 4.389 10 10 KICE Cc1nc(CNC(=O)OC(C)(C)C)sc1C(=O)N[C@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867076694 GQZUIPLLGDINHS-OAHLLOKOSA-N 548.621 4.009 10 10 KICE CCCC[C@@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867789425 DKDAAUAIZADDGK-OFSOJUDTSA-N 594.757 4.129 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccncc3)c3ccccc3)CC2)cc1 1868668831 HBVKLRSNTDTWHJ-ROJLCIKYSA-N 548.687 4.493 10 10 KICE CCOC(=O)C1CCN(c2nc3c(C)cccn3c(=O)c2C=C2SC(=S)N(Cc3ccccc3)C2=O)CC1 2297460055 FKPPPRPQMGBYFX-UHFFFAOYSA-N 548.690 4.184 10 10 KICE Cc1cc(N2C(=O)NC(=O)C(=Cc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)C2=O)ccc1Br 2313548542 XVLBNQYSSMSBIX-UHFFFAOYSA-N 513.348 4.322 10 10 KICE C[C@H](C(=O)NCCCCCC(=O)O)N1C(=O)C(=Cc2cc(Br)cc(Br)c2O)SC1=S 2314837511 TVDDIVKJKYXJJX-SNVBAGLBSA-N 580.320 4.268 10 10 KICE CC(C)(C)c1ccc(OCCOc2ccc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2)cc1 104557922 UQTRTTPDDDPOMF-BZYMUNDLSA-N 526.640 4.063 10 10 KICE CS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCCOc4ccccc4Cl)c(Cl)c3)C(=N)N21 104559864 DQXDBHDWZVDNOS-YDQQKUGSSA-N 539.422 4.072 10 10 KICE COC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC)c(COc4ccc(F)cc4F)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 252669868 IWEBKMGVDZWIMQ-LJAQVGFWSA-N 605.663 4.340 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)CCc3ccc(C)c(C)c3)CC2)cc1 1861940899 WCTCKPANYDGXEK-GDLZYMKVSA-N 517.645 4.460 10 10 KICE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1F)=C(N)O2 1864012019 PGCITBASSNNZBK-XMMPIXPASA-N 534.975 4.455 10 10 KICE CC(C)NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2Cl)[C@@H]1c1ccc(O)c(O)c1 1864014698 AKEBDYHQDPXVCN-KRWDZBQOSA-N 522.911 4.234 10 10 KICE CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)C1CCCCC1)=C(N)O2 1865030506 LHPHGZCCNNYTRR-HSZRJFAPSA-N 503.603 4.117 10 10 KICE COc1ccc(C(=O)N[C@H](C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c2ccccc2)cc1N1CCN(C)CC1 1867223276 KIODFSWLQGIRFT-HKBQPEDESA-N 588.664 4.332 10 10 KICE CCCC[C@H](NC(=O)CCN(Cc1ccccn1)C(=O)OC(C)(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868926906 ZMIVCZQTJNGWCR-MHZLTWQESA-N 567.731 4.241 10 10 KICE COc1ccc(N2CCN(C(=O)CNC(=O)C[C@H](c3ccccc3)c3ccc(OC)c(Cl)c3)CC2)cc1 1868960763 HEZDTKPLLSVZMB-RUZDIDTESA-N 522.045 4.344 10 10 KICE COc1ccc(N2CCN(c3nc(=NCCCCCO)nc(Nc4ccc(C(C)(C)C)cc4)[nH]3)CC2)cc1 1871555591 BACOPEOJIMMEHQ-UHFFFAOYSA-N 519.694 4.244 10 10 KICE CCOC(=O)C1CCN(c2nc3c(C)cccn3c(=O)c2C=C2SC(=S)N(CCc3ccccc3)C2=O)CC1 2296169349 GQFIKSVSWPBEPZ-UHFFFAOYSA-N 562.717 4.226 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)C=Cc3ccccc3Cl)CC2)cc1 2330451879 HVKUUFSQUHUHDK-HHHXNRCGSA-N 520.029 4.144 10 10 KICE O=C(Cn1cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c2ccccc21)Nc1ccc(F)cc1 59336673 UTOGWEIWBLGMMI-XKZIYDEJSA-N 500.461 4.225 10 10 KICE COc1ccc(CCN2C(=O)/C(=C\c3c(N4C[C@H](C)O[C@@H](C)C4)nc4ccc(C)cn4c3=O)SC2=S)cc1 100851294 IYVYXKQPJRKCPF-TXSSHTDISA-N 550.706 4.069 10 10 KICE CCOC(=O)Cn1cc(C(=O)C(=O)N2CCN(c3ccc(OC)cc3)CC2)c2cc(NC(=O)CCc3ccccc3)ccc21 103130274 AAUYHUORDHDHBA-UHFFFAOYSA-N 596.684 4.316 10 10 KICE O=C(CCCN1C(=O)/C(=C2/SC(=S)N(CCCC(=O)Nc3ccccc3O)C2=O)SC1=S)Nc1ccccc1O 103644026 XUNLAMNTWBFDMW-DQRAZIAOSA-N 616.768 4.168 10 10 KICE COc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(C(C)(C)C)cc3)C2=O)c(C(=O)O)c1OC 210403299 BCDLCQDWNFSEFQ-ATVHPVEESA-N 500.598 4.246 10 10 KICE CCN(CC)c1ccc(CN2CC[C@H](N3CCN(c4ccccc4OC)CC3)[C@H](CCC(=O)OC)C2)c(O)c1 211236162 GMBDNIPXDPJYET-SQHAQQRYSA-N 538.733 4.213 10 10 KICE [N-]=[N+]=NCCc1ccc(O)c(N=Nc2ccc(C(=O)NCCOCCOCCOCCNC(=O)CCCC[C@@H]3SC[C@H]4NC(=O)N[C@@H]43)cc2)c1 888087542 VQJUOWXTLWKWGJ-QKMMQOFESA-N 711.846 4.282 10 10 KICE C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3/SC(=S)N(CCCC(=O)O)C3=O)c2)C[C@@H](C)O1 1554268777 IIEXLDOYZRXXQO-FWOCFWLASA-N 626.782 4.403 10 10 KICE Cc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cccs1)=C(N)O2 1864008211 FXXKZYRJKXJRIY-QFIPXVFZSA-N 523.014 4.360 10 10 KICE Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCC1)=C(N)O2 1864009392 GNFHNPXAZGEKIG-JOCHJYFZSA-N 512.969 4.197 10 10 KICE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCc1ccccc1OC)[C@@H]2c1ccc(O)c(O)c1 1864016595 TYJPLLOXIGHHBD-XMMPIXPASA-N 526.593 4.391 10 10 KICE CC(=O)Oc1ccc(C[C@@H](NC(=O)C[C@@H]2CCCCO2)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 1867248629 NGRAJSWSULCDGZ-WXVAWEFUSA-N 554.599 4.013 10 10 KICE C=Cc1ccccc1OCC(=O)N[C@@H](CSCc1ccccc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869050599 BPSICIYINLQERQ-NDEPHWFRSA-N 545.705 4.484 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3ccc(Cl)cc3)C(=O)N(CCCN3CCOCC3)C2=O)cc1 1873162477 XERPDPCQGLDALO-UHFFFAOYSA-N 547.099 4.382 10 10 KICE N=C1C(=Cc2ccc(OCCOc3ccccc3)c(Cl)c2)C(=O)N=C2SC(CC(=O)N3CCCC3)=NN12 2296056399 ZVLBOFFMGDQFGE-UHFFFAOYSA-N 538.029 4.429 10 10 KICE COC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)c2C)cc1 2313559740 PWXHAQRVRBQSRP-UHFFFAOYSA-N 522.355 4.310 10 10 KICE CCCC[C@@H](CC)CN1C(=O)C(=Cc2c(N3CCOCC3)nc3c(C)cccn3c2=O)SC1=S 2314414596 FJJKSKWGLNSZQE-GOSISDBHSA-N 500.690 4.257 10 10 KICE COc1cc(C=C2SC(=S)N(CCS(=O)(=O)O)C2=O)ccc1OCc1ccccc1Cl 2314600136 JRUBQHJHFFOVAM-UHFFFAOYSA-N 500.019 4.017 10 10 KICE CC(=O)N1CC[C@H]2CC[C@@H](CN(Cc3cc(C(C)(C)C)ccc3O)Cc3ccccc31)N2S(C)(=O)=O 643580380 WHEBQOPOPHRDFX-RPBOFIJWSA-N 513.704 4.241 10 10 KICE COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCc2cccc(Cl)c2)[C@@H]3c2ccc(O)c(O)c2)cc1 1864007705 SJPNDBRLYFVXNF-XMMPIXPASA-N 532.984 4.265 10 10 KICE CCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H]1CCCC[C@H]1C)=C(N)O2 1864017233 IPZQCNXZRCLUCT-YOJAFSQSSA-N 518.614 4.244 10 10 KICE CCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C)C1)=C(N)O2 1865032322 AGJLZXDVRAQVNB-HOYKHHGWSA-N 502.615 4.167 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3c[nH]c4ccccc34)C(=O)N(CCCN(C)C)C2=O)cc1 1873162482 XPOPKOBXHBEECF-UHFFFAOYSA-N 509.654 4.439 10 10 KICE COCCOC(=O)c1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C(C)C)C2=O)cc1 1873424447 PSVGGJHNWKCTCW-UHFFFAOYSA-N 501.583 4.498 10 10 KICE CCOC(=O)COc1ccc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1OCC 2294253444 UNSXDZWMXKRNDZ-UHFFFAOYSA-N 523.394 4.165 10 10 KICE C[C@H](c1ccccc1)N1C(=O)C(=Cc2c(NCCCn3ccnc3)nc3ccccn3c2=O)SC1=S 2297458869 SZTGWZPNTVDPLI-GOSISDBHSA-N 516.652 4.356 10 10 KICE Cc1c(N2C(=O)/C(=C3\C(=O)N(CC(=O)Nc4ccc(F)cc4)c4ccccc43)SC2=S)c(=O)n(-c2ccccc2)n1C 1903812 JLNRPIIGDQOYKR-SHHOIMCASA-N 599.669 4.385 10 10 KICE Cc1ccc2nc(N3C[C@H](C)O[C@@H](C)C3)c(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)c(=O)n2c1 1772719555 OQSCBSGHMVCUER-QKAAPCBHSA-N 506.653 4.018 10 10 KICE CCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1)=C(N)O2 1864019480 ZTLVNKQXTOYGTK-DEOSSOPVSA-N 514.557 4.055 10 10 KICE CCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN(CC)CC)=C(N)O2 1864020261 XLTOCHDJYNXVIO-HSZRJFAPSA-N 540.064 4.042 10 10 KICE CCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2-c2ccccc2Cl)[C@@H]1c1ccc(O)c(O)c1 1864022499 NIMOZOYDODYKNC-QFIPXVFZSA-N 532.984 4.443 10 10 KICE Cc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCc3ccccc3C1)=C(N)O2 1865027466 YSJPQLXPAGYDQK-AREMUKBSSA-N 526.568 4.070 10 10 KICE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866007579 OGKXDJPAKGNNAN-QHCPKHFHSA-N 528.561 4.427 10 10 KICE CN(C)c1ccc([C@@H](CNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)c2ccc(F)cc2)N2CCCCC2)cc1 1867342743 RLZFHZUTBJTYDZ-FQLXRVMXSA-N 532.660 4.282 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)c3cc(C)n(-c4ccccc4)n3)CC2)cc1 1868757856 DZGIGAOEVISYSG-GDLZYMKVSA-N 541.627 4.018 10 10 KICE Cc1ccc(C2=S=C(c3ccc(F)cc3)C(S(=O)(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)=N2)cc1 1871284684 JEYAXMAZAILXJI-UHFFFAOYSA-N 538.626 4.038 10 10 KICE CCN(CC)CCN1C(=O)C(NCCc2nc3ccccc3[nH]2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873169332 KCEQNRGIJPIRKU-UHFFFAOYSA-N 524.669 4.224 10 10 KICE COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccc(C(=O)O)cc4)c(Br)c3)C2=O)cc1 2297301488 APGGYDNYNGYXGY-UHFFFAOYSA-N 551.349 4.401 10 10 KICE CCOC(=O)c1ccc(NC(=O)CN2C(=O)/C(=C3/SC(=S)N(CC(C)C)C3=O)c3ccccc32)cc1 34806453 RBKIIIDNRUQIRD-QURGRASLSA-N 523.636 4.076 10 10 KICE C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C(=O)/C(=C/c2cc(Br)ccc2O)SC1=S 47152404 SDMBUOFXXMELPZ-XBTXGSBDSA-N 508.375 4.291 10 10 KICE Cc1ccccc1OCCCOc1ccc(/C=C2\C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)cc1 103597231 ZZZLDSQAHPYOKZ-RJQQKCKVSA-N 531.638 4.475 10 10 KICE Cc1c(/C=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c(N2CCCCCC2)n(C)c(=O)c1C#N 110520599 PVSHDZSEFSUGCR-KQWNVCNZSA-N 574.732 4.149 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc(C(=O)OCC)cc4)c3C)c(=O)n2[C@@H]1c1ccccc1OC 1084624735 BHYVPXWLQVXTLB-GDLZYMKVSA-N 599.709 4.391 10 10 KICE COc1ccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3Cc3cccc(Cl)c3)[C@H]2c2ccc(O)c(O)c2)cc1 1864012072 QGJGFHOPYCDAIA-RUZDIDTESA-N 547.011 4.324 10 10 KICE CCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H]1CCCC[C@H]1C)=C(N)O2 1864019636 ODGLTHJULIYSEL-GQOCTPOGSA-N 502.615 4.295 10 10 KICE CCCc1nn(C)c2c1[C@@H](c1c(F)cccc1Cl)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865144713 ABSXIVKGOOYQHB-XMMPIXPASA-N 540.039 4.217 10 10 KICE CC[C@](C)(NC(=O)c1cc(OC)cc(OC)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867396344 MQVWYUJORIPYPR-WNJJXGMVSA-N 510.679 4.012 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)[C@H]3C[C@@H]3c3ccc(F)cc3)CC2)cc1 1868825528 RSNOCTHNNCKXSQ-PKTNWEFCSA-N 519.592 4.153 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)[C@H](C)c3ccc(Br)cc3)CC2)cc1 1868841681 ZNBNBSODLODUES-WZONZLPQSA-N 534.520 4.148 10 10 KICE COCCCn1cc(OCCCOc2ccccc2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870632507 GPRVNQREHKQMCV-UHFFFAOYSA-N 521.658 4.064 10 10 KICE NC(=O)COc1cn(C[C@H](O)c2ccc(Cl)cc2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871118264 IFIKNZVOCRYKDC-SANMLTNESA-N 519.001 4.455 10 10 KICE Cc1nc(F)[nH]c(=Nc2ccc(S(=O)(=O)O)c(/N=N/c3c(S(=O)(=O)O)cc4cc(S(=O)(=O)O)c(/N=N/c5cc(S(=O)(=O)O)ccc5S(=O)(=O)O)c(N)c4c3O)c2)c1Cl 1933253056 SJXVCYARSHRQSE-IALZAULJSA-N 927.283 4.248 10 10 KICE CCCCN1C(=O)C(=Cc2c(N3CCN(c4ccccc4F)CC3)nc3ccccn3c2=O)SC1=S 2296203761 JQQJSAILSUAHMK-UHFFFAOYSA-N 523.659 4.162 10 10 KICE N=C1C(=Cc2ccc(OCc3ccccc3[N+](=O)[O-])cc2)C(=O)N=C2SC(CC(=O)N3CCCCC3)=NN12 2296937137 VUIRRTNOAQMAEC-UHFFFAOYSA-N 532.582 4.196 10 10 KICE COc1cccc(OCCOc2ccc(C=C3C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2OC)c1 2297469251 WBGKNMGJMDJQDT-UHFFFAOYSA-N 529.578 4.224 10 10 KICE O=C1C(=Cc2c(N3CCN(c4ccccc4F)CC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccc2c(c1)OCO2 2314408545 BOJOIFSWCFWJDR-UHFFFAOYSA-N 601.685 4.290 10 10 KICE CCOCCCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(CCc2ccc(OC)c(OC)c2)C1=O 2314414382 XRIMXPVIOMDUMO-UHFFFAOYSA-N 568.721 4.303 10 10 KICE CCOC(=O)c1c(NC(=O)COc2ccc(C=C3SC(=S)N(C)C3=O)cc2OC)sc(C)c1C 2314489450 PXSFZJCIYRVXED-UHFFFAOYSA-N 520.654 4.399 10 10 KICE CCOC(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C/c3ccc(OC)c(OC)c3)SC2=S)cc1 15037968 HKYSYYXVXMQWDN-ZHZULCJRSA-N 500.598 4.111 10 10 KICE COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Cl)c1OCc1ccc(C(=O)O)cc1 101677268 RGXPDYJOJPTGOP-LSCVHKIXSA-N 550.907 4.021 10 10 KICE COc1cc(/C=C2\C(=N)N3C(SC)=NSC3=NC2=O)cc(Br)c1OC(=O)c1ccco1 104485199 PDYUYZCPFXLHBI-KGUSFBOQSA-N 521.374 4.210 10 10 KICE CC(C)c1ccc(/C=C/C(=O)NCCc2ccc(S(=O)(=O)NC(=O)Oc3ccc(N)cc3)cc2)cc1 1859007340 FUOYXWRBPFDKPD-FRKPEAEDSA-N 507.612 4.242 10 10 KICE COc1ccc(C(=O)Nc2cccc(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)n2)cc1OC 1860553575 ZJIHWTIICSMSJR-UHFFFAOYSA-N 507.502 4.379 10 10 KICE CCSc1ccc(Cl)cc1CC(=O)N1CSC[C@H]1C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861907544 CKTGAIGYIXYDQW-QFIPXVFZSA-N 520.120 4.253 10 10 KICE CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@H]1c1ccc(O)c(O)c1 1865031730 MZUBJOYBBCYEGY-RUZDIDTESA-N 540.620 4.266 10 10 KICE COc1ccc(CCN2C(=O)c3ccc(C(=O)Nc4c(Br)cccc4C(=O)O)cc3C2=O)cc1 1865884305 JARPSCHNQBKNGK-UHFFFAOYSA-N 523.339 4.247 10 10 KICE CCC[C@H](NC(=O)c1ccc(OC)c(OC)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867311011 INJRIKUIFUAJRJ-LOSJGSFVSA-N 510.679 4.012 10 10 KICE CCCC[C@H](NC(=O)c1ccc(N2CCN(C(=O)C(C)(C)C)CC2)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868805587 NHVCJHXZJURKDE-LJAQVGFWSA-N 577.770 4.027 10 10 KICE COc1ccc(N2CCN(c3cc(N4CC(=O)N5CCc6c(F)cccc6[C@H]5C4)nc(C(C)C)n3)CC2)cc1 1869103943 SBYTZKVMRYEMAA-AREMUKBSSA-N 530.648 4.020 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)c4cc(C)cc(C)c4)n(-c4ccc(OC)cc4)n3)CC2)cc1 1869969580 FMJUBLSUJRXKTI-UHFFFAOYSA-N 512.614 4.480 10 10 KICE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccc(C(C)C)cc4)cn3C[C@@H](C)O)CC2)cc1 1870472455 YBOLNVSOMKANKZ-HSZRJFAPSA-N 505.659 4.262 10 10 KICE CCOc1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCN3CCOCC3)C2=O)c1 1873426017 RTSYSBRFAIGFGO-UHFFFAOYSA-N 528.653 4.407 10 10 KICE COc1ccc(N2CCN(CCC(=O)c3cccc(NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)c3)CC2)cc1 1874728857 SQDWHBKIUQDVNZ-UHFFFAOYSA-N 518.570 4.259 10 10 KICE COc1c(Br)cc(Br)cc1C=C1C(=O)NC(=O)N(CCc2ccc(F)cc2)C1=O 2296110340 NSUPYGWEVUTKAS-UHFFFAOYSA-N 526.156 4.064 10 10 KICE CC(C)(C)c1ccc(OCCOc2ccc(C=C3C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2)cc1 2297345769 AKVMMHXFLWESAQ-UHFFFAOYSA-N 526.640 4.063 10 10 KICE O=C(O)CCCCCN1C(=O)C(=Cc2c(Oc3ccccc3F)nc3ccccn3c2=O)SC1=S 2314509713 XIBVEJLYKDXWDK-UHFFFAOYSA-N 513.572 4.472 10 10 KICE CC(C)c1nc2c(Cl)cc(C(F)(F)F)cn2c1C=C1SC(=S)N([C@H](CCC(N)=O)C(=O)O)C1=O 2323813753 YPBUKFMBJARDTR-LLVKDONJSA-N 534.969 4.050 10 10 KICE COc1cc(C=C2C(=O)N(c3ccccc3Cl)N=C2C(F)(F)F)ccc1OCCN1CCOCC1 2332105192 GUQJESRPRQVZSY-UHFFFAOYSA-N 509.912 4.408 10 10 KICE COc1ccc(/C=C2\SC(=S)N([C@H]3CC(=O)N(c4cccc(C(F)(F)F)c4)C3=O)C2=O)cc1OC 101974239 FSQPUNRZZSTQTF-QJVAEYLJSA-N 522.526 4.256 10 10 KICE Cc1cc(/C=C2/C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)c(C)n1-c1cc(Cl)ccc1Cl 103572603 XTKOJWBDRMVKPH-UQJNUVEPSA-N 545.452 4.269 10 10 KICE Cc1cc(Br)c(N2C(=O)NC(=O)/C(=C/c3cc4c(cc3Br)OCO4)C2=O)cc1C 103813263 AYVDNHWRGWDJKX-XGICHPGQSA-N 522.149 4.224 10 10 KICE CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(N(CC)CC)cc3O)c(=O)n2[C@@H]1c1ccccc1 1083946839 RPQZKMKYIXDIME-GDLZYMKVSA-N 553.684 4.487 10 10 KICE CCc1sc(NC(=O)C(=O)NCc2ccc(O)cc2)c(C(=O)OC)c1-c1ccc(Br)cc1 1860764061 XZXZODHDTYOYNK-UHFFFAOYSA-N 517.401 4.487 10 10 KICE Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(Cl)cc1)=C(N)O2 1864007004 CWNMGMJLPJBXKJ-HSZRJFAPSA-N 502.958 4.256 10 10 KICE CCCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1OC(C)(C)C)=C(N)O2 1864013794 GGPKBQMBUUEJEI-HSZRJFAPSA-N 520.630 4.455 10 10 KICE CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1c[nH]c3ccccc13)=C(N)O2 1864014653 ZONRCSBYQVBUSG-XMMPIXPASA-N 515.614 4.192 10 10 KICE Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC1)=C(N)O2 1865025926 FLFHTQIEJCJJLN-NRFANRHFSA-N 515.397 4.275 10 10 KICE CCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCc3ccccc3C1)=C(N)O2 1865032762 KBEQZLQTPJOAFD-AREMUKBSSA-N 522.605 4.185 10 10 KICE CCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCN(c3cccc(OC)c3)CC2)n1 1867976256 FLIWSOUYVDQLMM-UHFFFAOYSA-N 502.663 4.100 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)CCC(=O)N3CCC[C@H]3c3nc4ccccc4s3)C(C)C)CC2)cc1 1868885083 KKUWFKNRJDOBRY-SVEHJYQDSA-N 577.751 4.238 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccccn3)C(=O)N(CCc3nc4ccccc4[nH]3)C2=O)cc1 1873164326 WOPDGZZBGPJWTK-UHFFFAOYSA-N 516.605 4.478 10 10 KICE Cc1ccc2nc(NCCCOC(C)C)c(C=C3SC(=S)N(CCCCCC(=O)O)C3=O)c(=O)n2c1 2296846722 ZEUTWRVPZAKQCX-UHFFFAOYSA-N 532.688 4.076 10 10 KICE COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1 33516594 RBYFCLHZJRFZTA-JCMHNJIXSA-N 519.604 4.259 10 10 KICE COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3sc4c(c3C(=O)NCc3cccnc3)CCC4)C2=O)cc1 101281911 PFOPKFUWWKIWHW-MTJSOVHGSA-N 564.714 4.410 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4cccc(C(=O)OC)c4)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1 252669271 HAPKCIXXSVAWOS-NDEPHWFRSA-N 585.682 4.001 10 10 KICE Cc1nc(C)c(CC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)s1 1866571373 PIHRBDVYOVMCDP-XMMPIXPASA-N 539.613 4.150 10 10 KICE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@@H](CO)NC(=O)c3nn(-c4ccc(Cl)c(Cl)c4)c4c3CCC4)cccc21 1866854379 IBXGFBBFKYMLJN-HSZRJFAPSA-N 589.435 4.173 10 10 KICE CC[C@@H](C)Nc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O 2295979467 ZLSSCWQRMINVPZ-OAHLLOKOSA-N 508.625 4.343 10 10 KICE CCN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3cccc(Br)c3)c3ccccc32)SC1=S 2533362 GASKYVBVVXBWEN-ISLYRVAYSA-N 502.415 4.026 10 10 KICE CCCCCCN1C(=O)/C(=C/c2c(N3C[C@H](C)O[C@H](C)C3)nc3c(C)cccn3c2=O)SC1=S 33438294 YGJNUTSESOEGKS-AUNAQYQXSA-N 500.690 4.398 10 10 KICE CCCOc1ccc([C@@H]2N[C@](CCSC)(C(=O)O)[C@H]3C(=O)N(Cc4ccc5c(c4)C(=O)c4ccccc4C5=O)C(=O)[C@@H]32)cc1 102465854 BBEVPNZXTMUCNS-JPWDMULGSA-N 612.704 4.273 10 10 KICE CC(C)(C)C(=O)OC[C@@H]1O[C@H](N=[N+]=[N-])[C@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C 252587660 ZRIINKFKQWXADE-TZNCUMHOSA-N 541.642 4.485 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)cc3)c(=O)n2[C@H]1c1ccc(SC)cc1 254818986 SWAQXLPCMOCYEX-VWLOTQADSA-N 521.708 4.366 10 10 KICE Cc1ccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3Cc3ccc(F)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1 1864012033 PPNLIAXUYAKHMX-VWLOTQADSA-N 514.557 4.110 10 10 KICE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCCCc1ccccc1)[C@@H]2c1ccc(O)c(O)c1 1864023217 VYLVQTGLVFZJQI-LJQANCHMSA-N 516.520 4.167 10 10 KICE COc1ccc([C@H](C(=O)N[C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C(C)C)cc1OC 1866982267 CRCSXDWNWFXFIO-CRICUBBOSA-N 514.578 4.362 10 10 KICE COCCCn1cc(OCc2ccc(Cl)cc2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870440215 FAVGJEPJPUEFJZ-UHFFFAOYSA-N 512.050 4.448 10 10 KICE Cc1ccc(S(=O)(=O)c2nc(C=C3SC(=S)N(CCc4ccccc4)C3=O)oc2N2CCOCC2)cc1 2296938958 YTXXYKFSNBPICT-UHFFFAOYSA-N 555.703 4.096 10 10 KICE CC[C@@H](C)N1C(=O)C(=Cc2c(N3CCN(c4ccc(F)cc4)CC3)nc3ccccn3c2=O)SC1=S 2297096197 DCDRBUZSDHWAAY-QGZVFWFLSA-N 523.659 4.160 10 10 KICE CC(C)CS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OCCOc4ccccc4Cl)cc3)C(=N)N21 2297345635 NXUGWPVBTBXDHN-UHFFFAOYSA-N 547.058 4.445 10 10 KICE COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)C2=Cc2ccc(OCCN3CCOCC3)c(OC)c2)cc1 2332105209 INGXBLSSUFNKMO-UHFFFAOYSA-N 543.620 4.258 10 10 KICE CCSC1=NSC2=NC(=O)/C(=C/c3ccc(OC(=O)c4ccc(OC)c(OC)c4)c(OC)c3)C(=N)N12 104485349 UWWJDFHBVFWARS-DSKFECOOSA-N 526.596 4.261 10 10 KICE CC(C)(C)C(=O)OC[C@@H]1O[C@H](N=[N+]=[N-])[C@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C 252587658 ZRIINKFKQWXADE-RZFLPCETSA-N 541.642 4.485 10 10 KICE CCOc1cccc(C2=C(O)C(=O)N(c3ccc(N4CCN(C)CC4)cc3)[C@@H]2c2ccc(O)c(O)c2)c1 526386481 BMNJMICKNFRFMS-HHHXNRCGSA-N 501.583 4.306 10 10 KICE CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccccc1)=C(N)O2 1864013741 ZMYKGXUVMRLQOY-SANMLTNESA-N 542.611 4.488 10 10 KICE Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCc1ccc(Cl)cc1)[C@@H]2c1ccc(O)c(O)c1 1864015491 ANDSHPZQKQMCKY-OAQYLSRUSA-N 502.958 4.163 10 10 KICE Cc1ccc(CNC(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3CC(C)C)[C@@H]2c2ccc(O)c(O)c2)cc1 1864021312 AJBVOTMKEQZDJZ-IBGZPJMESA-N 516.520 4.289 10 10 KICE CCc1ccc(-c2nc(CC(=O)NCC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c(C)o2)cc1 1868158901 WRVCUJQHEANWIV-UHFFFAOYSA-N 507.546 4.285 10 10 KICE CCCC[C@@H](NC(=O)CCN(Cc1ccncc1)C(=O)OC(C)(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868925699 KFZKRNZVCSWXHB-HHHXNRCGSA-N 567.731 4.241 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)c3cc(-c4ccc(F)c(F)c4)[nH]n3)CC2)cc1 1868930928 BQUWXYPBSGRBCH-NDEPHWFRSA-N 563.580 4.193 10 10 KICE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccccc4F)cn3Cc3cccnc3)CC2)cc1 1870345751 LGXFEJPGTBDNJG-UHFFFAOYSA-N 514.601 4.341 10 10 KICE CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)NCc4nc5ccccc5[nH]4)c4ccccc34)[C@@H]21 1873911229 ISMAJGVPJFJXSF-GDLZYMKVSA-N 504.594 4.371 10 10 KICE C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)CCN2C(=O)C(=Cc3ccc(F)cc3)SC2=S)[C@@H]2CCS(=O)(=O)C2)o1 2314829194 RBINRFGENLDREK-BSIFCXSSSA-N 562.710 4.349 10 10 KICE O=C1/C(=C\c2c(NCc3ccco3)nc3ccccn3c2=O)SC(=S)N1Cc1ccc2c(c1)OCO2 100886055 WYGFMKQDKZKAAH-RGVLZGJSSA-N 518.576 4.030 10 10 KICE O=C1/C(=C/c2c(N3CCN(c4ccccc4F)CC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccc2c(c1)OCO2 109953394 BOJOIFSWCFWJDR-XYGWBWBKSA-N 601.685 4.290 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)cc3)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 254822574 BGJJGAREPBTVQO-MUUNZHRXSA-N 563.720 4.442 10 10 KICE COc1c(I)cc(I)cc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O 1084116849 GIHUSMXAXLXTEI-AWNIVKPZSA-N 608.557 4.224 10 10 KICE CCN(CC)C(=O)C[C@H]1CCN2C[C@H]1C=CCOc1ccccc1CN(Cc1ccccc1O)CC2=O 1616122676 MGWYIDXJPRZYJS-DNQXCXABSA-N 505.659 4.066 10 10 KICE CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCC1=CCCCC1)=C(N)O2 1864013122 QLWYROJBTBGTPG-DEOSSOPVSA-N 515.614 4.332 10 10 KICE CCCOc1ccc([C@H]2C(C(=O)N3CCN(c4ccc(OC)cc4)CC3)=C(N)Oc3c2c(CC)nn3CC)cc1 1865272544 LGUYHESFWOXAJL-AREMUKBSSA-N 545.684 4.306 10 10 KICE COc1cccc(C(=O)N[C@@H](Cc2ccc(OC(C)=O)cc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867384650 OHANZUCTRTXBRS-AJQTZOPKSA-N 586.733 4.371 10 10 KICE N=c1[nH]nc(COc2cn(CCCCCO)c(CNc3ccc(Nc4ccccc4)cc3)cc2=O)s1 1871027722 ONLISITXBFXOLR-UHFFFAOYSA-N 506.632 4.210 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCc3cccc(Cl)c3)C(=O)N(CCCN3CCOCC3)C2=O)cc1 1873170770 PPQDHUKFAFUPRL-UHFFFAOYSA-N 533.072 4.340 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3S(=O)(=O)c3ccc(Oc4ccccc4C)cc3)CC2)cc1 1892260096 SIOAYQHUVGFKAY-HHHXNRCGSA-N 535.666 4.298 10 10 KICE Cc1cccn2c(=O)c(C=C3SC(=S)N(C(C)C)C3=O)c(N3CCN(c4ccccc4F)CC3)nc12 2296215384 QXBNZQLOKJDIOP-UHFFFAOYSA-N 523.659 4.078 10 10 KICE CCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3cccc(Br)c3)c3ccccc32)SC1=S 2296712166 GASKYVBVVXBWEN-UHFFFAOYSA-N 502.415 4.026 10 10 KICE CCCC[C@H](CC)CN1C(=O)C(=Cc2c(N3CCC(C(N)=O)CC3)nc3ccc(C)cn3c2=O)SC1=S 2314399974 GINIOHXNSHPBSR-SFHVURJKSA-N 541.743 4.122 10 10 KICE CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 6378542 ISVFAHXENJHHSY-NNAGEYCMSA-N 598.681 4.352 10 10 KICE Cc1c(NC(=O)[C@@H](C(C)C)N2C(=O)/C(=C\c3ccccc3)SC2=S)c(=O)n(-c2ccccc2)n1C 13306737 BHTAZEAYOUZASM-GFCAVMEOSA-N 506.653 4.349 10 10 KICE O=C1/C(=C\c2c(NC[C@H](O)c3ccccc3)nc3ccccn3c2=O)SC(=S)N1C1CCCCC1 33918317 JXYRERDXHLJMHX-GDUPUGJQSA-N 506.653 4.374 10 10 KICE CCCCn1c(N2C[C@H](C)O[C@H](C)C2)c(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c(C)c(C#N)c1=O 39991349 RXKYAIJYNJAHDX-WIZLDEDZSA-N 526.684 4.437 10 10 KICE CCc1cccc(CC)c1N1C(=O)[C@@H]2[C@H](c3ccc(N(C)C)cc3)N[C@](C(=O)O)(c3ccccc3)[C@@H]2C1=O 43221532 CUVCDINPKFLNCD-WJQRCLFPSA-N 511.622 4.308 10 10 KICE O=C(CCCN1C(=O)/C(=C2/SC(=S)N(CCCC(=O)Nc3cccc(O)c3)C2=O)SC1=S)Nc1cccc(O)c1 103644036 YMDBRIQTSYHVMD-DQRAZIAOSA-N 616.768 4.168 10 10 KICE COc1ccc(CCN2C(=O)/C(=C/c3c(NC[C@@H](O)c4ccccc4)nc4ccccn4c3=O)SC2=S)cc1OC 110555643 FPHFYRWHOVQOOF-BUTHZZEHSA-N 588.711 4.301 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)/C=C/c3ccc(Cl)cc3)CC2)cc1 1861946038 DSIOOYIOARUCBZ-ODVZWJMOSA-N 520.029 4.144 10 10 KICE CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN(CC)CC)=C(N)O2 1864009972 HIPVAQBYMGFBTG-RUZDIDTESA-N 533.673 4.087 10 10 KICE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOc1ccccc1)=C(N)O2 1864012348 YBSFIMZXBQRTFK-RUZDIDTESA-N 547.011 4.194 10 10 KICE O=C(N[C@H](Cc1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(-c2cccnc2)on1 1867165899 KORAKAWGURXHAQ-RUZDIDTESA-N 542.551 4.492 10 10 KICE COc1cc(C(=O)N[C@H](Cc2ccc(OC(C)=O)cc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc(OC)c1OC 1867335884 FMFWLDRBBMPPMX-FIRIVFDPSA-N 646.785 4.388 10 10 KICE COc1ccc(N2CCN(Cc3cc(=O)c(OCCc4ccccc4)cn3Cc3cccnc3)CC2)cc1 1870689977 MZQVJXRIYOIRGE-UHFFFAOYSA-N 510.638 4.244 10 10 KICE C[C@@H](O)Cn1cc(OCC(=O)N2CCCCCC2)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870932198 GMBVWZWGJGEAFE-JOCHJYFZSA-N 504.631 4.366 10 10 KICE CN(C)CCn1cc(OCC(=O)Nc2ccccn2)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870933708 NGWLROXAYHJGBP-UHFFFAOYSA-N 512.614 4.178 10 10 KICE COc1ccc(OC)c(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCc3cnc[nH]3)C2=O)c1 1873425903 JEENSVLDXCXVAF-UHFFFAOYSA-N 511.582 4.269 10 10 KICE COc1ccc(CCN2C(=O)C(=Cc3c(NC[C@@H](O)c4ccccc4)nc4ccccn4c3=O)SC2=S)cc1 2296546108 NTLYRHUEUUAPOV-HSZRJFAPSA-N 558.685 4.293 10 10 KICE COc1cc2c3c(c1)C(=C1SC(=S)NC1=O)C(=O)N3C(C)(C)C=C2CSc1nnc(C)s1 2297632335 JAJFAZLNCOFIKK-UHFFFAOYSA-N 502.668 4.029 10 10 KICE CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc(Br)ccc1OC(=O)/C=C1\SC(=O)NC1=O 33524533 ANWQGOQJVWCAMW-NHLSHGKWSA-N 512.341 4.028 10 10 KICE COc1cccc([C@@H]2N[C@](Cc3c[nH]c4ccccc34)(C(=O)O)[C@@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)[C@@H]23)c1O 104879988 QIPGJHDVDQKEKK-MSCBGTKOSA-N 579.531 4.417 10 10 KICE COc1cc(/C=C2/SC(=S)N(CC(=O)N3C[C@H](C)O[C@H](C)C3)C2=O)ccc1OC1CCCCC1 211941849 YGMZIULLTCAZFK-BBDDYXILSA-N 504.674 4.244 10 10 KICE CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1ccccc1C 1865663059 BBDZKGWDBXPZNX-RUZDIDTESA-N 515.658 4.216 10 10 KICE CCc1ccc(COc2cn(C[C@H]3CCCO3)c(CN3CCN(c4ccc(OC)cc4)CC3)cc2=O)cc1 1870464268 BVGUZFZTORJSGE-GDLZYMKVSA-N 517.670 4.500 10 10 KICE CCOC(=O)c1ccc(CN2C(=O)C(NC[C@@H]3CCCO3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873166268 JKKCTWFVJULBOV-SANMLTNESA-N 527.621 4.320 10 10 KICE CCN(CC)CCNC(=O)c1ccc(NC(=O)c2c3c(n4ccccc24)C(=O)c2ccccc2C3=O)cc1 1874019636 KUHYDBCSGKJBNT-UHFFFAOYSA-N 508.578 4.039 10 10 KICE CCCCN1C(=O)C(=Cc2c(N3CCN(Cc4ccccc4)CC3)nc3c(C)cccn3c2=O)SC1=S 2296698684 DSHSEFQBAQWDGO-UHFFFAOYSA-N 533.723 4.326 10 10 KICE N=C1/C(=C\c2cn(Cc3ccccc3F)c3ccccc23)C(=O)N=C2SC(CC(=O)N3CCCC3)=NN12 102476686 NCYRVWOHWBQKLH-ZXLLOHKYSA-N 514.586 4.460 10 10 KICE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)NCc2ccc(F)cc2)[C@H]3c2ccc(O)c(O)c2)cc1 1864008097 BRHONHSBHZCKRG-VWLOTQADSA-N 514.557 4.110 10 10 KICE CCCCOCCCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2CC)[C@@H]1c1ccc(O)c(O)c1 1864017439 MLLJXUZOGLWPGW-QHCPKHFHSA-N 536.629 4.007 10 10 KICE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1C)=C(N)O2 1865026743 RODQCSTWYAIHOB-IQMFZBJNSA-N 509.006 4.400 10 10 KICE NC1=C(C(=O)N2CCCC2)[C@@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3cccc(Cl)c3)c2O1 1865032192 XNVOLFFIVJCYGA-KRWDZBQOSA-N 520.895 4.273 10 10 KICE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4CC(C)C)[C@H]3c3ccc(C)cc3)CC2)cc1 1865179912 MHRWMXIVEVKFKC-AREMUKBSSA-N 515.658 4.208 10 10 KICE CC[C@](C)(NC(=O)c1ccc2c(c1)C(=O)N([C@@H](CC(C)C)C(=O)O)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867476183 GYDYGDGJNCHOJV-AXJWHKOCSA-N 633.790 4.090 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)Cc3nc(-c4ccc(F)cc4)oc3C)CC2)cc1 1868642141 LOZSQSLOIJUFCQ-LJAQVGFWSA-N 556.638 4.417 10 10 KICE CCCC[C@H](NC(=O)c1nc(C(C)(C)C)n2ccccc12)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868788079 COTWNHZCEFWTIH-QHCPKHFHSA-N 505.663 4.278 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)C[C@@H](C)c3cccc(OC)c3)c3ccccc3)CC2)cc1 1868943717 QKDKJOOSBCCHDA-KPURRNSFSA-N 501.627 4.404 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)c3cc(-c4cccc(OC)c4)on3)CC2)cc1 1868965380 QMEJJKTWVVELQD-NDEPHWFRSA-N 558.610 4.188 10 10 KICE Cc1ccc(C=C2SC(=S)N(CCC(=O)NCCNC(=O)CCN3C(=O)C(=Cc4ccc(C)cc4)SC3=S)C2=O)cc1 2297259425 VQAHMFOOZUSGHB-UHFFFAOYSA-N 638.862 4.419 10 10 KICE COc1cc(C=C2C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)ccc1OCc1ccccc1 2297470602 SIEIJPDTBDAHNS-UHFFFAOYSA-N 517.611 4.296 10 10 KICE O=C(O)CN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)SC1=S 3765867 KPYGWNZHKBWIBY-PXNMLYILSA-N 509.359 4.222 10 10 KICE CC[C@H](C)Nc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(CCc2ccc(OC)c(OC)c2)C1=O 33379179 RDGOJJJDFNDJOA-WASCAKKMSA-N 524.668 4.366 10 10 KICE O=C1[C@@H]2[C@H](c3cc(Br)ccc3O)N[C@](CC3CCCCC3)(C(=O)O)[C@@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 247846451 DSIZCJIPNQPXOI-YGWSKSRPSA-N 572.412 4.307 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)c(OC)c(Br)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 1084059833 PBTNQMODYIBBRI-QFIPXVFZSA-N 635.378 4.398 10 10 KICE CCc1sc(NC(=O)C(=O)N[C@H](C(=O)O)[C@@H](C)CC)c(C(=O)OC)c1-c1ccc(Br)cc1 1860763961 UGKJHWHXYMYYBE-GTNSWQLSSA-N 525.421 4.081 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)CCCOc3ccc(C)cc3)c3ccccc3)CC2)cc1 1862214187 GGHGUUMRZHIOCH-GDLZYMKVSA-N 501.627 4.369 10 10 KICE Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(Cl)cc1)=C(N)O2 1864007246 IOHDDKNQNOTJIQ-DEOSSOPVSA-N 516.985 4.299 10 10 KICE Cc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(Cc3ccccc3)CC1)=C(N)O2 1865029151 HFXXSLLUMBBZCZ-SANMLTNESA-N 516.642 4.435 10 10 KICE CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc[nH]1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865600249 RZCMDUFTCHZVPI-SANMLTNESA-N 538.652 4.205 10 10 KICE CC[C@](C)(NC(=O)c1cc(C)n(-c2ccc(Br)cc2)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868767109 DJBDICXITSAHAV-MHZLTWQESA-N 554.489 4.199 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3cc(C)n(-c4ccccc4F)n3)c3ccccc3)CC2)cc1 1868983701 KGWBNJPCQNDJGJ-MUUNZHRXSA-N 527.600 4.148 10 10 KICE CCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCN3CCc4c(F)cccc4[C@H]3C2)n1 1869228376 GAGZZHYXWWMZPD-HHHXNRCGSA-N 516.665 4.323 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)/C=C/c4ccc(F)cc4)n(-c4ccc(OC)cc4)n3)CC2)cc1 1869969704 JNKZEFBEPADZOF-FZSIALSZSA-N 528.588 4.402 10 10 KICE CCOCCCN1C(=O)C(NCC2CCC(C(=O)OC)CC2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873170580 GHYMQQZJXSEFIS-UHFFFAOYSA-N 521.658 4.170 10 10 KICE CCCCCNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O 33781305 WPNCLKLUVDXMNA-DEDYPNTBSA-N 508.625 4.427 10 10 KICE CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCC(=O)NCc1ccccc1 100225580 YXMYUMJLCLUPHZ-LPYMAVHISA-N 533.968 4.100 10 10 KICE CCOc1cc(/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 103680198 WZCSFWJPTQGITD-ABVAMLGQSA-N 533.444 4.394 10 10 KICE COc1ccc(CCN2C(=O)/C(=C/c3c(N4CCCCC4)nc4c(C)cccn4c3=O)SC2=S)cc1OC 105762716 SYRCAHXHXNUFPG-QJOMJCCJSA-N 550.706 4.454 10 10 KICE COc1ccc([C@@H](C)NC(=O)C2=C(N)Oc3c(c(C)nn3Cc3ccccc3F)[C@H]2c2ccc(O)c(O)c2)cc1 1864009198 CCSGRJSYSVCQSN-AKJBCIBTSA-N 544.583 4.371 10 10 KICE Cc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)C13CC4CC(CC(C4)C1)C3)=C(N)O2 1864011108 ZGWAYAFZIIIOKD-PKVBSGDWSA-N 541.652 4.403 10 10 KICE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)CC)=C(N)O2 1864018025 ASZQKHFHOWDSKG-LRTDBIEQSA-N 514.985 4.307 10 10 KICE CCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@@H](C)C1)=C(N)O2 1865033232 VCUIJPZOPGKWNW-RHGYRFJNSA-N 502.615 4.104 10 10 KICE CC(C)C[C@H](CC(=O)N[C@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(F)cc1 1867111399 YYDPVPAZHQDVKX-KBMIEXCESA-N 516.569 4.237 10 10 KICE CCCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCC(CN3CCOCC3)CC2)n1 1868387326 ZIDPPQBTBZIKOF-UHFFFAOYSA-N 525.653 4.497 10 10 KICE CCOc1cc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc(Cl)c1OCc1cccc(C)c1 2297345806 DVRBWTPRUBBNBL-UHFFFAOYSA-N 533.031 4.247 10 10 KICE Cc1cc(Oc2nc3c(C)cccn3c(=O)c2C=C2SC(=S)N(CC(=O)O)C2=O)ccc1Cl 2314509709 XEZFYANYRIFIRQ-UHFFFAOYSA-N 501.973 4.043 10 10 KICE Cc1cc(C)cc(Oc2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N(CCCC(=O)O)C2=O)c1 39836056 WHVLWJACBOADOF-CPNJWEJPSA-N 509.609 4.478 10 10 KICE CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(C)c4)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 59418548 JXFPLNHEZDIPQQ-DBXPASCUSA-N 527.646 4.433 10 10 KICE COc1cc(/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1OCCOCCOc1ccccc1 102469953 NKEMHDKENZSSQC-ZXDVXRBZSA-N 534.516 4.351 10 10 KICE CC[C@H](C)N1C(=O)/C(=C\c2c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)nc3c(C)cccn3c2=O)SC1=S 102835924 AIXCMDPHFQKVIP-WWJLXRQJSA-N 577.732 4.054 10 10 KICE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3CCC(C(N)=O)CC3)=NC2=O)cc1 102860293 OFHOEXNCUBRLSV-XQNSMLJCSA-N 501.612 4.106 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@H]1c1ccccc1 252675480 UDAQUGISLYDNFS-SANMLTNESA-N 515.610 4.345 10 10 KICE O=C(/C=C/c1ccccc1)N(C(=O)/C=C/c1ccccc1)S(=O)(=O)c1ccc(N=NN2CCOCC2)cc1 254487078 PANWASRJJZJYOS-SKSADFOXSA-N 530.606 4.488 10 10 KICE Cc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(Cl)c1)=C(N)O2 1864011088 DMXFGNDESULWLD-XMMPIXPASA-N 534.975 4.455 10 10 KICE COc1ccccc1CNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2cc(C)ccc2C)[C@H]1c1ccc(O)c(O)c1 1864011408 HHHILSNQTXDNSD-HHHXNRCGSA-N 540.620 4.287 10 10 KICE CCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2F)[C@H]1c1ccc(O)c(O)c1 1864016858 YUOLKGUQAIYFSK-HSZRJFAPSA-N 514.557 4.370 10 10 KICE COc1ccc(-c2nn(CC(C)C)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)NCc2ccco2)=C(N)O3)cc1 1864017309 JLERWJLTKCYDNB-QHCPKHFHSA-N 530.581 4.230 10 10 KICE CCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)c1ccccc1)=C(N)O2 1864017805 VOWGHPBBCDHSKT-SSOJOUAXSA-N 526.593 4.427 10 10 KICE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCc1ccc(Cl)cc1)[C@@H]2c1ccc(O)c(O)c1 1864022803 RDSUBSYOSCQMLO-QGZVFWFLSA-N 522.911 4.040 10 10 KICE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC1)=C(N)O2 1865030184 FGYCRNSFWFOLOU-JOCHJYFZSA-N 526.996 4.405 10 10 KICE CCN(CC)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(F)c2)[C@H]1c1ccc(O)c(O)c1 1865034366 UZEAEIUSCRVOCM-GOSISDBHSA-N 520.483 4.064 10 10 KICE CC[C@@H](NC(=O)c1nc(CC(C)C)n2ccccc12)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866865323 QZSUTECEDADILD-OAQYLSRUSA-N 508.578 4.455 10 10 KICE O=C(CCc1nc(O)c2ccccc2n1)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867263767 MSEITPVTJDEEDF-MHZLTWQESA-N 570.605 4.410 10 10 KICE COc1ccc(N2CCN(c3cc(N4CC(=O)N5CCc6c(F)cccc6[C@@H]5C4)nc(Cc4ccccc4)n3)CC2)cc1 1869087012 UZEIWYZWOQCNII-PMERELPUSA-N 578.692 4.488 10 10 KICE CCc1nc(N2CCN(CCCc3ccc(OC)cc3)CC2)cc(N2CCN(c3ccc(OC)cc3)CC2)n1 1869126020 CSTSWDIMYOYUOA-UHFFFAOYSA-N 530.717 4.138 10 10 KICE Cc1ccc2nc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)c(C=C3SC(=S)N(C4CCCC4)C3=O)c(=O)n2c1 2314399360 SMYRKCHLKXKILW-UHFFFAOYSA-N 589.743 4.198 10 10 KICE CCCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CCC)c2N2C[C@H](C)O[C@@H](C)C2)SC1=S 39990238 QYXDPVXCJJCCLY-HEXNSGTLSA-N 502.706 4.443 10 10 KICE CCOc1cc(/C=C2/C(=O)N(c3ccc(CC)cc3)C(=O)N=C2O)c(Br)cc1OCC(=O)O 96585236 NGIGDVWUVQLXFH-CXUHLZMHSA-N 517.332 4.380 10 10 KICE CCn1c(NCCc2ccc(OC)c(OC)c2)c(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c(C)c(C#N)c1=O 143237571 IHGNHLGUMDALNR-QCYAWUEASA-N 568.721 4.100 10 10 KICE CCN(CC)c1ccc([C@H]2C(c3cccc(OC)c3OC)=C(O)C(=O)N2c2ccc(S(N)(=O)=O)cc2)cc1 526315538 ZYHXXBYATTWOFA-VWLOTQADSA-N 537.638 4.255 10 10 KICE [N-]=[N+]=NC[C@H]1CCCN1C(=O)c1cc(I)cc(I)c1I 701282898 YFZMOALTXPDAGF-MRVPVSSYSA-N 607.959 4.415 10 10 KICE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](C)C1)=C(N)O2 1865032794 KUJIOLBNMPXYTG-OYHNWAKOSA-N 509.006 4.452 10 10 KICE CCCC[C@H](NC(=O)Cc1sc(NC(C)=O)nc1-c1cccs1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868629313 RITFLVYIVAHGHE-QFIPXVFZSA-N 569.753 4.405 10 10 KICE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(NCc3ccco3)nc12 100886056 GBRRMZMVDLZJKW-SRZZPIQSSA-N 532.603 4.338 10 10 KICE CCOc1cc(/C=C2/SC(=S)N([C@H](C(=O)OC)c3ccccc3)C2=O)ccc1OCC(=O)N(CC)CC 101737751 FPUKJLQASXTUGA-KZVLXBEFSA-N 542.679 4.448 10 10 KICE CCCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccco1)=C(N)O2 1864012644 FVHSUKJRBREGKQ-HSZRJFAPSA-N 518.545 4.038 10 10 KICE CCCC[C@H](NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867796191 DCEDNVOLYWGYNT-LSYYVWMOSA-N 552.720 4.359 10 10 KICE Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1[N+](=O)[O-] 1867843781 CFVODVARMGCDDZ-OFSOJUDTSA-N 618.691 4.268 10 10 KICE CCOCCOC(=O)COc1cn(C[C@H]2CCCO2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871120990 SZZTZIFDHANYIK-AREMUKBSSA-N 521.614 4.342 10 10 KICE CCOc1cc(C=C2C(=O)NN(c3cccc(Cl)c3)C2=O)c(Br)c(Br)c1O 2297461689 DKBNRQQMONMAKD-UHFFFAOYSA-N 516.573 4.431 10 10 KICE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1cc(I)cc(I)c1O 2313559628 IBQCEAIYWBWGMO-UHFFFAOYSA-N 638.981 4.030 10 10 KICE CCOc1c(I)cc(/C=C2/C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1OC 100222174 QQFDZFACITWCRT-ZSOIEALJSA-N 542.782 4.183 10 10 KICE COc1cccc(OCCOc2c(Br)cc(/C=C3/C(=N)N4OC(C)=CC4=NC3=O)cc2OC)c1 101430701 ACFILTAPCOAYBW-OXOMLNGBSA-N 528.359 4.374 10 10 KICE CCOC(=O)COc1cc(Br)c(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1OCC 1084017398 HXPRNRUAWGYQEG-SXGWCWSVSA-N 596.228 4.219 10 10 KICE COc1ccc([C@H](C)NC(=O)C2=C(N)Oc3c(c(C)nn3-c3ccc(OC)cc3)[C@H]2c2ccc(O)c(O)c2)cc1 1864007233 IEBBMDLZTSTITI-YHAMSUFESA-N 542.592 4.181 10 10 KICE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC(C)C)=C(N)O2 1864010372 LROGJONHKOLOKM-JOCHJYFZSA-N 527.021 4.125 10 10 KICE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C(=O)NC(C)C)[C@H]3c2ccc(O)c(O)c2)cc1 1864014493 WFWIUOKZCOGKBZ-QHCPKHFHSA-N 512.566 4.178 10 10 KICE CCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)CC)=C(N)O2 1864019735 PVWOWNSMKBHHOW-RNODOKPDSA-N 527.419 4.218 10 10 KICE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCc3ccccc3C1)[C@@H]2c1ccc(O)c(O)c1 1865033555 CIKWNTFTINGLEW-LJQANCHMSA-N 514.504 4.003 10 10 KICE CCOC(=O)c1c(NC(=O)[C@@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)sc2c1CC[C@@H](C)C2 1865927072 IGCXAUKPVWOAFW-SJLPKXTDSA-N 514.644 4.097 10 10 KICE CCCC[C@@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867789426 DKDAAUAIZADDGK-POURPWNDSA-N 594.757 4.129 10 10 KICE COc1ccc([C@@H](C(=O)N[C@H](C(=O)N2CCN(c3ccc(OC)cc3)CC2)C(C)C)C2CCCC2)cc1 1868882128 RXUCHEQTBQAPPI-NSOVKSMOSA-N 507.675 4.467 10 10 KICE CCOc1ccc(-c2nc(N3CCN(c4ccc(OC)cc4)CC3)cc(N3C[C@H](C)N(CCOC)[C@@H](C)C3)n2)cc1 1869329609 UHNHJMIMXQUWGP-DQEYMECFSA-N 560.743 4.423 10 10 KICE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4c(C)noc4C)cn3Cc3ccco3)CC2)cc1 1870566006 YPPCFAYJIZBSNH-UHFFFAOYSA-N 504.587 4.004 10 10 KICE COc1ccc(N2CCN(c3nc(=NCCc4ccc(C)cc4)[nH]c(=Nc4ccccc4C)[nH]3)CC2)cc1 1871479615 AZCZEFKONPSFPR-UHFFFAOYSA-N 509.658 4.066 10 10 KICE COc1ccc(OCCNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C[C@@H]3CCCO3)C2=O)cc1 1873165413 NLQDHXDKYKLJCO-SANMLTNESA-N 515.610 4.030 10 10 KICE O=C(CN1C(=O)C(=C2SC(=S)N(C[C@@H]3CCCO3)C2=O)c2ccccc21)Nc1ccccc1Cl 2296713640 NBIMCWASKXKSCI-AWEZNQCLSA-N 514.028 4.076 10 10 KICE C=C(Br)C(=O)Nc1ccc(N=Nc2c(NC)ccc3cc(S(=O)(=O)O)cc(O)c23)c(S(=O)(=O)O)c1 2333207360 OSPMFGOZOJIBBW-UHFFFAOYSA-N 585.414 4.343 10 10 KICE CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@H]1c1cccc(OC)c1 1785860 GFESCZJKJDBUQQ-BIWBSIMWSA-N 545.636 4.354 10 10 KICE CCN(CC)c1ccc(C=c2sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)OC(C)C)=C(C)N=3)cc1 254853866 KTBISMJIDMSICY-SANMLTNESA-N 519.667 4.042 10 10 KICE COc1ccc(C(=O)Nc2cccc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)n2)cc1OC 1860553256 ULFHDTFAVLACSF-UHFFFAOYSA-N 507.502 4.379 10 10 KICE Cc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(Cl)c1)=C(N)O2 1864011507 IQWNEZOSCQCXHA-XMMPIXPASA-N 534.975 4.455 10 10 KICE CCCCOc1ccc([C@@H]2C(C(=O)N3CCN(c4ccc(OC)cc4)CC3)=C(N)Oc3c2c(C)nn3CC)cc1 1865239501 ULZPJTMKICGBCP-MHZLTWQESA-N 545.684 4.442 10 10 KICE CCc1ccc([C@H]2C(C(=O)N3CCN(c4ccc(OC)cc4)CC3)=C(N)Oc3c2c(C)nn3CC(C)C)cc1 1865495952 IBBKJXRKHRIASY-HHHXNRCGSA-N 529.685 4.462 10 10 KICE COc1cccc2c1C(=O)N([C@@H](Cc1ccccc1)C(=O)Nc1cccc3c1C(=O)c1ccccc1C3=O)C2=O 1865839597 HRVSYBHTNSOFGR-DEOSSOPVSA-N 530.536 4.317 10 10 KICE CCOc1ccc(-c2nc(N3CCN(c4ccc(OC)cc4)CC3)cc(N3C[C@H](C)N(CCOC)[C@H](C)C3)n2)cc1 1869329611 UHNHJMIMXQUWGP-PLQXJYEYSA-N 560.743 4.423 10 10 KICE COC(=O)c1c(-n2c(C)cc(/C=C3/C(=O)N(C)c4ccc(S(=O)(=O)N5CCOCC5)cc43)c2C)sc2c1CCCC2 101378590 MCAHHXAYYMXNPJ-LFVJCYFKSA-N 595.743 4.359 10 10 KICE CS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(OCCOc4ccccc4Cl)c(Cl)c3)C(=O)N=C2S1 101398013 SPVNCKWGPBUDAP-YDQQKUGSSA-N 539.422 4.072 10 10 KICE C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)/C(=C/c2cccc(OCc3ccccc3)c2)SC1=S 101971474 HRQRXXXNPNPRMJ-XMSCMFJESA-N 553.687 4.141 10 10 KICE CC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@](CC2CCCCC2)(C(=O)O)N[C@H]3c2ccc(N(C)C)cc2)cc1 102487064 UOMNMYNMPFMTNY-TUAOVVRQSA-N 517.626 4.199 10 10 KICE CCOC(=O)c1c(NC(=O)C(=O)N[C@@H](C(=O)O)[C@H](C)CC)sc(C)c1-c1ccc(Br)cc1 1860758256 IGSZTHDLDDPCKG-PIGZYNQJSA-N 525.421 4.217 10 10 KICE CCCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2Cc2ccc(F)cc2)[C@H]1c1ccc(O)c(O)c1 1864013692 YYILVBRPCJYFBU-HSZRJFAPSA-N 508.594 4.435 10 10 KICE CCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(F)cc2)[C@@H]1c1ccc(O)c(O)c1 1864015567 CIFFOOQFLFWJLR-QHCPKHFHSA-N 514.557 4.370 10 10 KICE Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@H](C)C1)=C(N)O2 1865028120 PWHXSPNRZXETSK-GPAUDHNESA-N 545.423 4.229 10 10 KICE Cc1ccc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867329770 PSYLJWLMIURUMP-XZWHSSHBSA-N 528.697 4.451 10 10 KICE O=C(COc1cn(CCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O)Nc1ccc(F)cc1 1871175120 INUYGDNYAQWVFS-UHFFFAOYSA-N 502.546 4.353 10 10 KICE COc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C[C@@H]3CCCO3)C2=O)cc1[N+](=O)[O-] 1873419071 NQJUYGYTMXUPGN-QFIPXVFZSA-N 516.554 4.382 10 10 KICE COc1cc(C(=O)Oc2cc3c4c(c2)[C@@H](C)CC(C)(C)N4C(=O)/C3=C2\SC(=S)NC2=O)cc(OC)c1OC 2185889641 YPTKJHYSUWUGRH-YUDCKQSLSA-N 554.646 4.423 10 10 KICE COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)C2=C(C)Nc2ccc(S(N)(=O)=O)cc2)cc1 2313683589 HDOUHPRAQIXAKW-UHFFFAOYSA-N 519.608 4.089 10 10 KICE CCOC(=O)CN1C(=O)/C(=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)c2ccccc21 33296756 DACLKDMKNDTPJF-ISLYRVAYSA-N 503.399 4.135 10 10 KICE Cc1ccc2nc(NC[C@@H]3CCCO3)c(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)c(=O)n2c1 33516561 NZKKEINUFBFIBG-BJLUOBIUSA-N 506.653 4.038 10 10 KICE CCOCCCN1C(=O)/C(=C\c2c(N3CCN(c4ccccc4F)CC3)nc3c(C)cccn3c2=O)SC1=S 100880672 AYXLAXANDWNWRU-PTGBLXJZSA-N 567.712 4.096 10 10 KICE Cc1ccccc1COc1ccc(/C=C2\C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)cc1Cl 103595283 LJSXOPULZOEUQX-UNJPEWJUSA-N 538.029 4.095 10 10 KICE CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OC)c(I)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 150597715 GUEIDDACJSQGPT-IMEWXKHHSA-N 729.378 4.082 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 254305799 XDONUGPBVIBCDZ-LJAQVGFWSA-N 598.681 4.352 10 10 KICE CC(C)COc1ccc(C2=C(O)C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@H]2c2ccc(N(C)C)cc2)cc1 526312184 QBMYMLXWRGRKHY-SANMLTNESA-N 521.639 4.492 10 10 KICE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(OC)cc1)=C(N)O2 1864009970 HDSXGOUKXMUGEY-RUZDIDTESA-N 526.593 4.256 10 10 KICE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(CC)CC)=C(N)O2 1864011233 SBHOMKUXAJCBSB-HSZRJFAPSA-N 540.064 4.042 10 10 KICE CCOCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2cccc3ccccc23)[C@H]1c1ccc(O)c(O)c1 1864020752 GPUYZHLKELJHEE-RUZDIDTESA-N 528.609 4.237 10 10 KICE Cc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C)C1)=C(N)O2 1865027613 JTMIVNLYNLPFDZ-PEBXRYMYSA-N 539.430 4.308 10 10 KICE CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(CCC)nn2Cc2cc(C)ccc2C)[C@@H]1c1ccc(O)c(O)c1 1865031123 ZHWWUTUGVAYONZ-SANMLTNESA-N 548.684 4.228 10 10 KICE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C)CC1)=C(N)O2 1865035030 JNJSDYVQVYJMOJ-RUZDIDTESA-N 516.642 4.475 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)[C@H]3C[C@@H]3c3ccccc3)CC2)cc1 1868901280 CLBMPAWECYOIBH-PKTNWEFCSA-N 501.602 4.014 10 10 KICE CC[C@@H](C)N1C(=O)C(=Cc2c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)nc3c(C)cccn3c2=O)SC1=S 2296707718 AIXCMDPHFQKVIP-LJQANCHMSA-N 577.732 4.054 10 10 KICE COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1 2079952 DSOHZJKIKXPBKY-HMAPJEAMSA-N 553.493 4.431 10 10 KICE Cc1ccc2nc(NCc3ccco3)c(/C=C3/SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(=O)n2c1 100886058 IGTKRCDFAMQHGE-UFFVCSGVSA-N 532.603 4.338 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 1084065373 KBBSDWATBODXJG-GDLZYMKVSA-N 659.677 4.482 10 10 KICE Cc1cc(N2C(=O)NC(=O)/C(=C/c3c(C)nn(-c4ccc([N+](=O)[O-])cc4)c3C)C2=O)ccc1Br 1084458506 HGQXEOJWZSCOKG-ODLFYWEKSA-N 524.331 4.135 10 10 KICE O=C(O)CCCN1C(=O)/C(=C\c2cn(CC(=O)NCCc3ccccc3)c3ccccc23)SC1=S 1860826731 KTNQXPOEGNECAK-PXLXIMEGSA-N 507.637 4.066 10 10 KICE CCc1ccc(OCCCC(=O)N[C@H](CCSC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1862231540 YPBIFSYJKINHGH-AREMUKBSSA-N 513.704 4.003 10 10 KICE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4C)[C@H]3c3c(Cl)cccc3Cl)CC2)cc1 1865175439 ZUINOCCUEPSBEO-QFIPXVFZSA-N 528.440 4.087 10 10 KICE CCC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(C(C)(C)C)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867511026 YHVPDVKAITUHJZ-VSGBNLITSA-N 575.754 4.389 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H](Cc3ccccn3)c3ccccc3)CC2)cc1 1868665099 URORXOGTJVXVFZ-ACHIHNKUSA-N 564.686 4.198 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)[C@H]3CCCN3Cc3ccccc3F)c3ccccc3)CC2)cc1 1868822811 WUWHXKABVHMJJB-FQLXRVMXSA-N 530.644 4.005 10 10 KICE CCC[C@H](NC(=O)Cc1nc(-c2ccc(CC)cc2)oc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868988249 UQOAOULLIBBPGX-SANMLTNESA-N 518.658 4.397 10 10 KICE CCCCCCN1C(=O)C(NCc2ccc(S(N)(=O)=O)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873164847 VQVPUAFLZTWROF-UHFFFAOYSA-N 534.682 4.192 10 10 KICE COc1ccc(N2CCN(CCC(=O)c3cccc(OC(=O)c4ccc(OC)c(OC)c4)c3)CC2)cc1 1874731384 JFPMJDUEYHVHRD-UHFFFAOYSA-N 504.583 4.327 10 10 KICE COc1ccc([C@H]2[C@@H](C(=O)N3CCN(c4ccc(OC)cc4)CC3)c3ccccc3CC(=O)N2C2CC2)cc1 1892028314 RGEXJEUGKFILSO-CONSDPRKSA-N 525.649 4.425 10 10 KICE COc1cc(C=C2C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc(OC)c1OCCOc1ccccc1 2296063130 IUSTWDDXVMXWBS-UHFFFAOYSA-N 529.578 4.224 10 10 KICE COc1c(C=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(CCN(C)C(=O)c2ccccc2)cc2c1OCO2 2297638983 OQKQYKQKHAJTHR-UHFFFAOYSA-N 561.978 4.058 10 10 KICE O=C(CCCN1C(=O)/C(=C/c2ccccc2OC(F)F)SC1=S)Nc1cc(C(=O)O)cc(C(=O)O)c1 59816319 AGOFZSAXOWOJIZ-BOPFTXTBSA-N 536.534 4.305 10 10 KICE O=C(CN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1sc2c(c1C(=O)NCc1cccnc1)CCC2 101281847 PJZMBOWJKCXTDC-ZDLGFXPLSA-N 540.717 4.463 10 10 KICE CC(=O)NS(=O)(=O)c1ccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3)[C@@H]2c2ccc(N(C)C)cc2)cc1 526138732 ADOMDGVCQPEPDP-DEOSSOPVSA-N 526.014 4.288 10 10 KICE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccncc1)=C(N)O2 1864012759 IPHLXIKGEKYRKF-SANMLTNESA-N 539.636 4.318 10 10 KICE CC(C)CCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccn2)[C@H]1c1ccc(O)c(O)c1 1864016582 STJBXUFJQAPSQB-HSZRJFAPSA-N 511.582 4.202 10 10 KICE CCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2-c2cccc(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1864021533 CLIQFGCYSOXPTE-QFIPXVFZSA-N 532.984 4.443 10 10 KICE CCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CC(=O)N3CC(C)(C)c4ccccc4[C@@H]3C2)n1 1869227946 DXPOMYDCWCJLCZ-MHZLTWQESA-N 540.712 4.445 10 10 KICE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)ccc1OCCOc1ccc([N+](=O)[O-])cc1 2293682589 BRLJVBDSQLYYDT-UHFFFAOYSA-N 547.520 4.126 10 10 KICE Cc1ccc2nc(Sc3ccc(Cl)cc3)c(C=C3SC(=S)N([C@@H]4CCS(=O)(=O)C4)C3=O)c(=O)n2c1 2314401150 VFCYZOZGTLQFKV-OAHLLOKOSA-N 564.135 4.196 10 10 KICE CN(C)c1ccc(CN(C(=O)Cc2coc3ccc(Br)cc23)[C@@H]2CCS(=O)(=O)C2)cc1 39883363 BKPHROFLWBRGGM-HXUWFJFHSA-N 505.434 4.020 10 10 KICE CCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2N2CCN(c3ccccc3F)CC2)SC1=S 39989862 FHJMQIZSWRTIOO-JCMHNJIXSA-N 525.675 4.125 10 10 KICE Cc1ccc2nc(N3CCC(C)CC3)c(/C=C3/SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(=O)n2c1 100850960 BWNAOSWCLBAJED-XQNSMLJCSA-N 586.743 4.443 10 10 KICE COc1ccc(/C=C2\SC(=S)N([C@H]3CC(=O)N(c4ccccc4C(F)(F)F)C3=O)C2=O)cc1OC 101974254 ZQRIJRGOOLXLBT-PACYTGELSA-N 522.526 4.256 10 10 KICE COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)cc(Br)c1O 102038227 TZZYYPWSKOBPHV-SDQBBNPISA-N 526.206 4.066 10 10 KICE COc1cc(NC(=O)COc2c(C)cc(Br)cc2Br)c(N2CCOCC2)cc1OC 104472279 AFFURZCCDXQHJM-UHFFFAOYSA-N 544.240 4.391 10 10 KICE CCN(CC)C(=O)COc1ccc(-c2c(C)sc(NC(=O)C(=O)N[C@H]3CCCC[C@@H]3C)c2C(=O)OC)cc1 1860763705 NQVTYWDRRPYOPJ-UWJYYQICSA-N 543.686 4.391 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)CCCOc3ccccc3Cl)CC2)cc1 1862228128 OKJODZJAQODUEA-QHCPKHFHSA-N 520.095 4.094 10 10 KICE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(CC)CC)=C(N)O2 1864012986 NOBWPOJTGZMYEX-AREMUKBSSA-N 547.700 4.065 10 10 KICE NC1=C(C(=O)NCc2ccccc2)[C@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(Cc3ccccc3)c2O1 1864015625 SZKPOYPNWGOIJP-OAQYLSRUSA-N 536.510 4.372 10 10 KICE Cc1cc(C)cc(OCCNC(=O)C2=C(N)Oc3c(c(-c4ccccc4)nn3C)[C@H]2c2ccc(O)c(O)c2)c1 1864016629 UJAYVTVPGPIZDI-XMMPIXPASA-N 526.593 4.005 10 10 KICE Cc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOc3ccccc31)=C(N)O2 1865026552 PLTCJDXRMVHJMY-RUZDIDTESA-N 544.995 4.425 10 10 KICE O=C(N[C@H](Cc1ccc(O)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cccc(Cl)n1 1866564874 RAHDAXTXUJIESZ-HSZRJFAPSA-N 525.948 4.196 10 10 KICE CC[C@H](NC(=O)[C@H]1CCCN1Cc1ccccc1F)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866921117 XSJQHROEAWIANN-UKILVPOCSA-N 513.569 4.099 10 10 KICE CC[C@](C)(NC(=O)/C=C(\C)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867077055 GDKICXKSFWMMJU-OTSHCQPXSA-N 573.671 4.039 10 10 KICE Cc1ccccc1C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867899869 NVCQHVRQOVFUSZ-IHLOFXLRSA-N 528.697 4.451 10 10 KICE CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CC[C@H](O)C[C@@H]2c2ccc(OC)c(OC)c2)n1 1869139975 FMCPQOKRQCVSSK-UKILVPOCSA-N 533.673 4.094 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)/C=C/c4ccc(OC)cc4OC)n(C(C)(C)C)n3)CC2)cc1 1869970517 MJOOJPJVYHUYEY-RIYZIHGNSA-N 520.634 4.037 10 10 KICE COC(=O)C1CCC(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(Cc3ccccn3)C2=O)CC1 1873170902 VYYQGQNQTMLWHE-UHFFFAOYSA-N 526.637 4.338 10 10 KICE O=C1C(=Cc2c(NC[C@H]3CCCO3)nc3ccccn3c2=O)SC(=S)N1Cc1ccccc1Cl 2296542729 GAFVNVPSGMSNPI-MRXNPFEDSA-N 513.044 4.340 10 10 KICE C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C3SC(=S)N(C)C3=O)c2)C[C@@H](C)O1 2296846391 HWPPJWYZIJNTIA-QZTJIDSGSA-N 554.719 4.168 10 10 KICE CCOc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC)ccc1OCCSc1ccccc1 2297345524 DXYIPUNDRABJGM-UHFFFAOYSA-N 544.680 4.268 10 10 KICE O=C(CN1C(=O)/C(=C2/SC(=S)N(CCc3ccccc3)C2=O)c2ccccc21)NCc1ccccc1 2533854 ZXHYIOCIOHWRJZ-OCOZRVBESA-N 513.644 4.164 10 10 KICE CCCn1c(NCc2ccccc2)c(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)c(C)c(C#N)c1=O 40066787 JICGBLYXHUVIEB-MOSHPQCFSA-N 510.641 4.117 10 10 KICE Cc1ccc(/C=C2\SC(=S)N(CC(=O)N(Cc3c(F)cccc3Cl)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 101283053 JVPNZFFESPKDAS-BYINCCNUSA-N 553.102 4.205 10 10 KICE COc1cc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCc1cccc2ccccc12 101397318 LLIHHKJOCAPARV-VYIPLNHISA-N 520.592 4.049 10 10 KICE C[C@@H]1C[C@H]1c1ccc(CN(C(=O)CCN2C(=O)/C(=C/c3cccs3)SC2=S)[C@@H]2CCS(=O)(=O)C2)o1 101911263 RQHFZRIZNZIEDL-ZJAVKFHMSA-N 550.749 4.272 10 10 KICE O=C(Nc1cc(C(=O)Nc2ccc(O)cc2C(=O)O)cc(C(=O)Nc2ccc(O)cc2C(=O)O)c1)c1ccc([N+](=O)[O-])cc1 105550563 GYJWFPZJUGIHPH-UHFFFAOYSA-N 600.496 4.159 10 10 KICE Cc1ccc2nc(N3CCN(c4ccccc4F)CC3)c(/C=C3\SC(=S)N(CCCCCC(=O)O)C3=O)c(=O)n2c1 109953849 KZMBEXSFMBUVTH-QJOMJCCJSA-N 595.722 4.315 10 10 KICE COC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=S)N(c4ccc(Br)cc4)C3=O)c2C)cc1 1084026478 LBCSYQQDQBZWOR-BKUYFWCQSA-N 538.423 4.475 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)/C=C/c3ccccc3Cl)CC2)cc1 1862144507 HVKUUFSQUHUHDK-HJTIZKHNSA-N 520.029 4.144 10 10 KICE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC(C)C)=C(N)O2 1864017668 RGHVHFWZYSUHNV-NRFANRHFSA-N 547.439 4.389 10 10 KICE CCOC(=O)Oc1ccc(C(=O)NC(C)(C)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867294175 SNNVWDUYFUEINH-VWLOTQADSA-N 524.662 4.140 10 10 KICE CN(C)c1ccc([C@@H](CNC(=O)C(C)(C)NC(=O)c2ccc3c(c2)C(=O)N(CCc2ccccc2)C3=O)N2CCCCC2)cc1 1867425747 UBEWYJMSBCRLPF-WJOKGBTCSA-N 609.771 4.443 10 10 KICE CC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccc3c(c1)OCO3)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867447382 DLUFCBXUJAHTIM-IHLOFXLRSA-N 639.753 4.129 10 10 KICE COc1ccc(N2CCN(S(=O)(=O)c3ccc(OCC(=O)Nc4ccccc4C(C)C)cc3)CC2)cc1 1872717811 WDSCYZSGLKOLMX-UHFFFAOYSA-N 523.655 4.347 10 10 KICE CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cn(CC(=O)Nc4ccccc4)c4ccccc34)C2=O)cc1 2296557910 ZHTCVYZWRRGBKU-UHFFFAOYSA-N 508.534 4.345 10 10 KICE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C3SC(=S)N(CCS(=O)(=O)O)C3=O)c2)C1 2314475986 GYMFOQBPSYYWEZ-BGYRXZFFSA-N 646.838 4.295 10 10 KICE C[C@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C3SC(N4CCOCC4)=NC3=O)c2)C1 2314479333 OFZHEBMJJQHJFI-NRFANRHFSA-N 577.732 4.262 10 10 KICE CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1OCCOc1ccc([N+](=O)[O-])cc1 100229242 JFZSQRCHYJVIAH-XQNSMLJCSA-N 531.521 4.426 10 10 KICE CCOC(=O)[C@H](c1ccccc1)N1C(=O)/C(=C2/C(=O)N(C)c3ccc(Br)cc32)SC1=S 101738250 MUUPEVCYFMGJJP-HMNTXPNISA-N 517.426 4.301 10 10 KICE C[C@@H]1C[C@H]1c1ccc(CN(C(=O)CCN2C(=O)/C(=C/c3ccccc3)SC2=S)[C@@H]2CCS(=O)(=O)C2)o1 101911297 LAIABXAHIRYFJZ-LEGQUHEYSA-N 544.720 4.210 10 10 KICE CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3C)C2=O)ccc1OCC(=O)N(CC)CC 206935405 ZGJNSKWUOJGVIK-JCMHNJIXSA-N 527.668 4.187 10 10 KICE CCOc1cc(/C=C2\SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)ccc1OCCC(=O)O 210465558 KEROJPKJXIZIFC-JCMHNJIXSA-N 517.625 4.400 10 10 KICE COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NC24CC5CC(CC(C5)C2)C4)[C@H]3c2ccc(O)c(O)c2)cc1 1864007308 KGPOERDOVKCRLJ-ORFJLSCNSA-N 542.636 4.380 10 10 KICE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)NCCc2ccccc2)[C@@H]3c2ccc(O)c(O)c2)c1 1864011538 JHXWYTHLCOMZFD-HHHXNRCGSA-N 524.621 4.321 10 10 KICE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccco1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865307976 VXUAQXVKNYEMGV-RUZDIDTESA-N 519.646 4.137 10 10 KICE CC(C)(NC(=O)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866630762 YYFUMDLLNMVWFJ-UHFFFAOYSA-N 580.062 4.193 10 10 KICE O=C(N[C@H](Cc1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(-c2cccnc2)[nH]n1 1867159727 XEJUZUHEZSOFHD-AREMUKBSSA-N 541.567 4.227 10 10 KICE CN(C)c1ccc([C@H](CNC(=O)C(C)(C)NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)N2CCCCC2)cc1 1867615684 DFFYXDGSHHZCCW-PMERELPUSA-N 595.744 4.401 10 10 KICE C[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867618577 NHUIRVQKWZYFGW-WVXBCFDCSA-N 581.717 4.011 10 10 KICE COc1ccc(N2CCN(c3cc(N4CC(=O)N5CC(C)(C)c6ccc(Cl)cc6[C@H]5C4)nc(C)n3)CC2)cc1 1869299991 JTXOAHPPXNZQHZ-AREMUKBSSA-N 547.103 4.455 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccccc3OC(C)C)C(=O)N(CCN3CCOCC3)C2=O)cc1 1873425993 QQGOQPBHAMOGQC-UHFFFAOYSA-N 528.653 4.406 10 10 KICE O=C1NC(=O)N(c2cccc(Br)c2)C(=O)C1=Cc1cc(Br)c(N2CCCC2)o1 2313564935 HAYNKYSDDMDAMI-UHFFFAOYSA-N 509.154 4.071 10 10 KICE COc1ccc(CN2C(=O)C(=Cc3c(N4CCC(C)CC4)nc4ccccn4c3=O)SC2=S)cc1 2314401306 XLANZZJUGZBSDT-UHFFFAOYSA-N 506.653 4.341 10 10 KICE COc1cc(/C=C2\SC(=S)N(CC(=O)Nc3nnc(C)s3)C2=O)ccc1OC1CCCCC1 39793655 OGSKNUOHNVOBAD-WQRHYEAKSA-N 504.659 4.407 10 10 KICE COc1ccccc1OCCOc1c(OC)cc(/C=C2\C(=N)N3C(SC)=NSC3=NC2=O)cc1OC 104485067 GUWCKZRUMXRJAX-NGLHLPICSA-N 528.612 4.110 10 10 KICE Cc1cc(N2CCCC2)c(F)cc1CN1CC(=O)NCCCCCOc2ccc(CCC(=O)O)cc2C1 643573375 ZFIDIVQMSXVZNY-UHFFFAOYSA-N 511.638 4.433 10 10 KICE CCN(CC)C(=O)COc1ccc(-c2c(C)sc(NC(=O)C(=O)NCCc3ccccc3)c2C(=O)OC)cc1 1860763983 VBEZYWACXNETGK-UHFFFAOYSA-N 551.665 4.055 10 10 KICE Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCCCc1ccccc1)[C@@H]2c1ccc(O)c(O)c1 1864016433 PBEHEPSHVBGBGO-XMMPIXPASA-N 510.594 4.332 10 10 KICE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](C)C1)=C(N)O2 1865027455 YKVQHQGHIVUQGL-WNSKOXEYSA-N 509.006 4.258 10 10 KICE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)N1CCOc3ccccc31)[C@H]2c1ccc(O)c(O)c1 1865034364 UVWOAUAGRBZSMR-DEOSSOPVSA-N 540.576 4.110 10 10 KICE CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1cccc(C)c1 1865571939 QGDKIDBNEJUFRA-VWLOTQADSA-N 515.658 4.216 10 10 KICE Cc1ccc(N2C(=O)c3ccc(C(=O)NCC(=O)NC[C@@H](c4ccc(N(C)C)cc4)N4CCCCC4)cc3C2=O)c(C)c1 1867539256 IPNFROCGRGRPMA-PMERELPUSA-N 581.717 4.243 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)C[C@H](c3ccccc3)c3nnc(C)o3)c3ccccc3)CC2)cc1 1868891751 QZIBUPNCDKEHKN-PXJZQJOASA-N 539.636 4.115 10 10 KICE CC[C@H](NC(=O)Cc1ccc2nc(O)c(Cc3ccccc3)cc2c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868934715 AWIYCERSEUYMQN-LJAQVGFWSA-N 552.675 4.326 10 10 KICE CCc1ccc(COc2cn(CCCN(C)C)c(CN3CCN(c4ccc(OC)cc4)CC3)cc2=O)cc1 1870466228 BMKBGTRRGRWIMY-UHFFFAOYSA-N 518.702 4.272 10 10 KICE CCc1ccccc1N=c1[nH]c(N2CCN(c3ccc(OC)cc3)CC2)nc(=NCc2ccc(C)cc2)[nH]1 1871560246 HZALRHPEIDWBGQ-UHFFFAOYSA-N 509.658 4.277 10 10 KICE COc1ccc([N+](=O)[O-])cc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCn2ccnc2)C1=O 1873423057 CKYRYOGQVYPINM-UHFFFAOYSA-N 540.580 4.490 10 10 KICE CC[C@H](C)N1C(=O)C(=Cc2c(NCc3ccc4c(c3)OCO4)nc3ccc(C)cn3c2=O)SC1=S 2296541859 AVJZCIXKTBDMPG-HNNXBMFYSA-N 508.625 4.343 10 10 KICE CCOc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC)ccc1O[C@@H](C)c1ccccc1 96460219 XFFJJBCNRCARKV-HBFLSEMUSA-N 512.613 4.237 10 10 KICE Cc1ccc(S(=O)(=O)N2C[C@H](C)N(S(=O)(=O)c3ccc(C)cc3)[C@H]2c2ccc(N(C)C)cc2)cc1 248051924 NLVRURDWWRNKGZ-LVXARBLLSA-N 513.685 4.152 10 10 KICE COc1ccc(CCN2C(=O)/C(=C/c3c(N4C[C@H](C)O[C@@H](C)C4)nc4ccc(C)cn4c3=O)SC2=S)cc1OC 1772719520 BIVVFMPTSUFJKM-XIHJABAGSA-N 580.732 4.078 10 10 KICE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccnc1)=C(N)O2 1864011671 XPPBCTKEHULZRI-HSZRJFAPSA-N 532.000 4.295 10 10 KICE COc1ccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3Cc3cccc(Cl)c3)[C@@H]2c2ccc(O)c(O)c2)cc1 1864012073 QGJGFHOPYCDAIA-VWLOTQADSA-N 547.011 4.324 10 10 KICE CCCCN(CC)C(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccc(OC)cc2)[C@@H]1c1ccc(O)c(O)c1 1865033319 WYTIXEDRGJKFDC-QHCPKHFHSA-N 506.603 4.198 10 10 KICE CN(C)c1ccc([C@@H](CNC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)N2CCCCC2)cc1 1867831618 WEFLCEUOEAGLGA-FQLXRVMXSA-N 606.655 4.393 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3cc(C)n(-c4ccccc4)n3)c3ccccc3)CC2)cc1 1868760187 INGRIHYMMULBBE-NDEPHWFRSA-N 509.610 4.009 10 10 KICE COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2C[C@H](C)N(c3ccccc3)[C@H](C)C2)n1 1869112545 WMMKYPPRRIIRFW-PSWAGMNNSA-N 516.690 4.104 10 10 KICE CC(=O)c1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCN3CCOCC3)C2=O)cc1 1873425877 OPCXZMIDNFLPHC-UHFFFAOYSA-N 526.637 4.211 10 10 KICE CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)NCc4nc5ccccc5[nH]4)c4ccccc34)[C@H]21 1873911230 ISMAJGVPJFJXSF-LJAQVGFWSA-N 504.594 4.371 10 10 KICE COc1ccc(Br)c(CNC2CN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)C2)c1O 2272024150 GXDJCTNGRCBKRC-UHFFFAOYSA-N 530.460 4.109 10 10 KICE CCCCN1C(=O)C(=Cc2c(N3CCN(c4ccc(F)cc4)CC3)nc3ccccn3c2=O)SC1=S 2296731309 MOXZLEVKIUIMKA-UHFFFAOYSA-N 523.659 4.162 10 10 KICE Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1C=C1C(=O)NC(=O)N(c2cccc3ccccc23)C1=O 2313547948 HEZBUGJKROVHMS-UHFFFAOYSA-N 526.465 4.125 10 10 KICE CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(OC)cc3)c2C)c2cc(S(=O)(=O)N3CCOCC3)ccc21 8778145 VCXNCQYEZKMKOC-ONUIUJJFSA-N 521.639 4.031 10 10 KICE CCCCCNc1nc2ccc(C)cn2c(=O)c1/C=C1/SC(=S)N(CCCCCC(=O)O)C1=O 35520932 OLVKUQULWKGEHM-NBVRZTHBSA-N 502.662 4.451 10 10 KICE COCc1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(SCc2cccc(C(=O)NC[C@H]3CCCO3)c2)n1 98015291 RGBRFLZMKCFVEY-HHHXNRCGSA-N 563.724 4.159 10 10 KICE Cc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1OC(C)(C)C)=C(N)O2 1864009470 HZBOEONNKHMJMT-DEOSSOPVSA-N 520.630 4.447 10 10 KICE CCN(CCc1ccncc1)C(=O)C1=C(N)Oc2c(c(C)nn2-c2cccc(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1865027026 DEICUNLEWOFTPB-RUZDIDTESA-N 546.027 4.426 10 10 KICE CCN(CC)C(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1865028758 ZURFGFHWXWGDSV-FQEVSTJZSA-N 503.386 4.462 10 10 KICE CC(C)N1C(=O)c2ccc(C(=O)N[C@H](Cc3ccc(O)cc3)C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O 1867431862 DAKZMLDITGDTDS-ROJLCIKYSA-N 625.770 4.147 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)Cc3nc(-c4cccc(OC)c4)oc3C)c3ccccc3)CC2)cc1 1868653094 HQDDNBYMDRCCPM-SSEXGKCCSA-N 554.647 4.416 10 10 KICE COC(=O)c1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCCN(C)C)C2=O)c1 1873424673 IJNVITLPZINCFK-UHFFFAOYSA-N 514.626 4.415 10 10 KICE COc1ccc(N2CCN(CCC(=O)c3ccc(NC(=O)COc4cc(F)ccc4F)cc3)CC2)cc1 1874756550 DZTXFHVUOBKCKY-UHFFFAOYSA-N 509.553 4.386 10 10 KICE COCCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCCc3ccc(OC)cc3)ncnc21 1875220037 DEVNHWSPTMGVPQ-UHFFFAOYSA-N 558.683 4.102 10 10 KICE COc1ccc(N2CCN(C(=O)c3cc4c(NCc5ccc(O)cc5)ncnc4n3Cc3ccco3)CC2)cc1 1875235705 RVQDGZUKGRAGKW-UHFFFAOYSA-N 538.608 4.361 10 10 KICE Cc1ccc(CN(C(=O)CCCN2C(=O)C(=Cc3ccc(Cl)cc3)SC2=S)[C@@H]2CCS(=O)(=O)C2)o1 2314600063 AHKWEYFEAAUKSB-LJQANCHMSA-N 553.127 4.439 10 10 KICE COc1cc(/C=C2/SC(=S)NC2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 2949746 QXWLORWRLNBXJJ-OQLLNIDSSA-N 500.417 4.023 10 10 KICE CS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(OCc4ccccc4Cl)c(Cl)c3)C(=O)N=C2S1 20208021 JDSUNUKKVKBTGZ-QNHLIMGLSA-N 509.396 4.194 10 10 KICE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CCC(=O)O)C3=O)c(Oc3ccccc3Cl)nc12 39835958 UPNXQVKGJOAISQ-LFIBNONCSA-N 501.973 4.125 10 10 KICE O=C(NN1C(=O)/C(=C\c2ccc(O)c(Br)c2)SC1=S)c1ccc(Br)cc1 101744951 PCWAAHYIWROPOX-RIYZIHGNSA-N 514.220 4.463 10 10 KICE CCCCn1c(NCc2ccc(F)cc2)c(/C=C2\SC(=S)N(CCC(=O)O)C2=O)c(C)c(C#N)c1=O 143364909 OOYOUHZHNFBNQF-NDENLUEZSA-N 528.631 4.256 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@@H]1c1ccccc1 252675479 UDAQUGISLYDNFS-AREMUKBSSA-N 515.610 4.345 10 10 KICE C[C@@H]1C[C@H]1c1ccc(CN(C(=O)CCN2C(=O)/C(=C/c3cccs3)SC2=S)[C@H]2CCS(=O)(=O)C2)o1 256043703 RQHFZRIZNZIEDL-SEMFABLOSA-N 550.749 4.272 10 10 KICE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCOc1cc(C)cc(C)c1)[C@@H]2c1ccc(O)c(O)c1 1864023445 ZCVNUSCBXAOBRY-HXUWFJFHSA-N 546.546 4.230 10 10 KICE CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C)CC1)=C(N)O2 1865030494 LBIRLWQKACXYOM-DEOSSOPVSA-N 520.605 4.387 10 10 KICE CCC[C@@H](NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867843911 FIKWXWMWFCBXNI-BVAGGSTKSA-N 554.648 4.119 10 10 KICE CCCn1cc(OCCCOc2ccc(OC)cc2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870593929 QIXKOMVWCQAATH-UHFFFAOYSA-N 521.658 4.446 10 10 KICE CCOCCCN1C(=O)C(=Cc2c(N3C[C@@H](C)C[C@@H](C)C3)nc3c(C)cccn3c2=O)SC1=S 2296540776 RPLZPJKRIIZKMS-CALCHBBNSA-N 500.690 4.113 10 10 KICE CCOCCCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3cccc(Cl)c3)c3ccccc32)SC1=S 2296711209 BWUFPAJFBRWAQE-UHFFFAOYSA-N 516.044 4.323 10 10 KICE Cc1cccc(NC(=O)CN2C(=O)C(=C3SC(=S)N(CCCCCC(=O)O)C3=O)c3ccccc32)c1 2296729522 VDMSZXYXQVXOPW-UHFFFAOYSA-N 523.636 4.197 10 10 KICE COc1cccc(OCCOc2c(I)cc(C=C3SC(=S)NC3=O)cc2OC)c1 2297306655 RTYNPQJSWFUVLD-UHFFFAOYSA-N 543.404 4.255 10 10 KICE COc1ccc(C=C2C(=O)NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1COc1ccc(NC(C)=O)cc1 2297681015 GOQYSVQBOVBHAS-UHFFFAOYSA-N 517.513 4.034 10 10 KICE COc1cccc(N2C(=O)N=C(O)/C(=C\c3ccc(OC)c(CN4C(=O)c5ccccc5C4=O)c3)C2=O)c1 2276188 BYYRYVBXDBDHBG-LPYMAVHISA-N 511.490 4.007 10 10 KICE COCCCN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3cccc(Br)c3)c3ccccc32)SC1=S 2533364 LPVHHKDYLWXUKW-FMQUCBEESA-N 546.468 4.042 10 10 KICE COc1cc(/C=C2/C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2C)ccc1OCC(=O)NCc1ccccc1 103250221 YVXMPIYISKFAQG-OEAKJJBVSA-N 500.511 4.105 10 10 KICE CCOC(=O)N1CCC(NC(=O)C(=O)Nc2sc(CC)c(-c3ccc(Br)cc3)c2C(=O)OC)CC1 1860763954 UBRLELKFDFVYIC-UHFFFAOYSA-N 566.474 4.202 10 10 KICE CC[C@@H](C)NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2F)[C@@H]1c1ccc(O)c(O)c1 1864021763 GGDIXQUMQNLFMG-XIKOKIGWSA-N 520.483 4.110 10 10 KICE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOc3ccccc31)=C(N)O2 1865028143 QJHBLVDWHSCJPI-XMMPIXPASA-N 530.968 4.366 10 10 KICE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)N2CCOc4ccccc42)[C@H]3c2ccc(O)c(O)c2)cc1 1865028361 SNQNHOKRIGOLDY-SANMLTNESA-N 524.577 4.080 10 10 KICE CC[C@@H](NC(=O)CCCc1ccc(OC)c(OC)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866786011 ZEQUZMIGIQFHDI-JOCHJYFZSA-N 514.578 4.335 10 10 KICE CCOC(=O)N1CCC(N2C(=O)C(NCc3nc4ccccc4[nH]3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)CC1 1873168616 CBGGHYXDLRNXEH-UHFFFAOYSA-N 566.662 4.461 10 10 KICE CCOc1cc(C=C2SC(=S)NC2=O)ccc1OC(=O)c1ccccc1I 2297200017 DETHGPNTWOTHKS-UHFFFAOYSA-N 511.362 4.398 10 10 KICE COc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCc1ccc(Cl)cc1Cl 2297345139 VOKFPYAKNLDKJO-UHFFFAOYSA-N 539.422 4.202 10 10 KICE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(I)c1OCc1ccc(C(=O)O)cc1 2313557818 MOSOABRYQJDUBL-UHFFFAOYSA-N 616.339 4.383 10 10 KICE COc1cc(C=C2SC(=S)N(CC(=O)O)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(C)c1C 2313630637 PTFHXCDRDNHVTE-UHFFFAOYSA-N 565.467 4.378 10 10 KICE COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C(C)(C)C)cc3)C2=O)ccc1OCC(=O)O 16915192 UFBNLWBJFDRUNR-XDHOZWIPSA-N 500.598 4.002 10 10 KICE CC[C@H](C)N1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2N2CCN(c3ccc(F)cc3)CC2)SC1=S 33812481 IDIWMVAOZRHDJH-VOMLJKFNSA-N 525.675 4.031 10 10 KICE O=C1/C(=C\c2c(N3CCSCC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccccc1Cl 35073868 PPNWUIULLYGVLC-QGOAFFKASA-N 515.085 4.303 10 10 KICE CC[C@@H](C)N1C(=O)/C(=C\c2c(N3CCN(c4ccccc4)CC3)nc3ccc(C)cn3c2=O)SC1=S 35363196 FEUPFGARLUACBZ-NDWLXSOOSA-N 519.696 4.329 10 10 KICE CCN1C(=O)/C(=C\c2cc(C)n(-c3sc(C)c(C)c3C(=O)OC)c2C)c2cc(S(N)(=O)=O)ccc21 59186084 IANRLTUPUOPPIZ-JAIQZWGSSA-N 513.641 4.114 10 10 KICE O=C1/C(=C\c2c(NCCCn3ccnc3)nc3ccccn3c2=O)SC(=S)N1Cc1ccccc1Cl 102824699 DBBNZVZQHYGUEP-XSFVSMFZSA-N 537.070 4.448 10 10 KICE Cc1ccc2nc(N3CCC[C@H](C)C3)c(/C=C3\SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(=O)n2c1 110076080 GSEMUEYTKKDXOZ-JYBCESJWSA-N 586.743 4.443 10 10 KICE CC(C)(C)C(=O)OC[C@H](N=[N+]=[N-])[C@@H]1O[C@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C 503922968 JLKYKJIAGQRDOG-KFGODFMUSA-N 541.642 4.485 10 10 KICE COC(=O)c1cc(C(=O)OC)cc(N2C(=O)C(O)=C(c3ccc(Cl)cc3)[C@@H]2c2ccc(O)c(O)c2)c1 526288273 WRTPXAUQFALXBG-QFIPXVFZSA-N 509.898 4.382 10 10 KICE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCCc2ccc(F)cc2)[C@H]3c2ccc(O)c(O)c2)cc1 1864008669 PIIMPYOUSPUFTE-VWLOTQADSA-N 514.557 4.093 10 10 KICE Cc1cccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3Cc3ccccc3F)[C@@H]2c2ccc(O)c(O)c2)c1 1864010233 PXGMIAKHOPLXLU-VWLOTQADSA-N 514.557 4.110 10 10 KICE Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCC1)=C(N)O2 1865026939 UCIZTQMBXNZBLQ-QFIPXVFZSA-N 512.969 4.151 10 10 KICE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1ccccn1 1865379578 OIYWDZFALFDRGC-RUZDIDTESA-N 536.636 4.017 10 10 KICE CCOc1cc(C(=O)N[C@@H](C)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc(OCC)c1OCC 1867389968 IYELMHIKYVJIPC-BKMJKUGQSA-N 554.732 4.410 10 10 KICE CCCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N([C@H](CC(C)C)C(=O)O)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867473987 ZWRSOTBBZVAECB-OJDZSJEKSA-N 647.817 4.480 10 10 KICE Cc1nnc(N2CCN(c3cc(Nc4cccc5c4C(=O)c4ccccc4C5=O)nc(-c4ccccc4)n3)CC2)n1C 1868363619 UAPUYRMUMJSPIH-UHFFFAOYSA-N 556.630 4.426 10 10 KICE CCOCCCn1cc(OCc2ccccc2C)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870626685 IDVXSUQSPQNHJJ-UHFFFAOYSA-N 505.659 4.493 10 10 KICE CCN(CC)CCN=c1nc(Nc2ccc(C(C)C)cc2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871504270 DBPDKOWMANSTQJ-UHFFFAOYSA-N 518.710 4.249 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)c3cc4ccccc4n3C)CC2)cc1 1874642653 KIFIQNUWIGHTAX-NDEPHWFRSA-N 535.648 4.358 10 10 KICE NS(=O)(=O)c1ccc(NC(=O)CCCCCN2C(=O)C(=Cc3cc(Br)ccc3O)SC2=S)cc1 2314831544 NEQQKTWFIWWMKB-UHFFFAOYSA-N 584.539 4.202 10 10 KICE COc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCc1c(Cl)cccc1Cl 104558774 WSSMWVOJZUGEKA-DUXYOCCMSA-N 539.422 4.202 10 10 KICE COc1ccc(CCN2C(=O)/C(=C/c3c(N4CCCC4)nc4ccc(C)cn4c3=O)SC2=S)cc1OC 105603603 OHVODLUVVNJXFC-JCMHNJIXSA-N 536.679 4.064 10 10 KICE Cc1c(NC(=O)CCCN2C(=O)/C(=C3/SC(=S)N(CCCC(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)SC2=S)c(=O)n(-c2ccccc2)n1C 150559074 VUKVFFJPLVROQS-FLWNBWAVSA-N 805.002 4.352 10 10 KICE CC[C@@](C)(NC(=O)c1c(OC)cccc1OC)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867366621 QYDIJRVUJHFQKQ-MUAVYFROSA-N 510.679 4.012 10 10 KICE CC(=O)Oc1ccc(C[C@@H](NC(=O)c2ccc3c(c2)C(=O)N(C(C)C)C3=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867434858 MNQHKKOZZGJZMK-KKLWWLSJSA-N 667.807 4.367 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(N[C@H]3CCCC[C@@H]3C)C(=O)N(CCCN3CCOCC3)C2=O)cc1 1873169631 DCPIWXSEYZYOPJ-LVXARBLLSA-N 504.675 4.065 10 10 KICE CN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCC3)c2)SC1=S 2296846448 NTYJTHGNBTUDQZ-UHFFFAOYSA-N 510.666 4.155 10 10 KICE N=[S@](=O)(O)c1ccc(-c2ccc(C=C3C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)o2)cc1 2297330011 JMXDMRIWRKYNNB-UHFFFAOYSA-N 516.329 4.254 10 10 KICE Cc1c(C(=O)O)cccc1-c1ccc(C=C2SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)o1 2297461007 FIWPCYWFRBHSDE-UHFFFAOYSA-N 506.492 4.357 10 10 KICE CCOCCCN1C(=O)C(=Cc2c(NCCc3ccccc3)nc3c(C)cccn3c2=O)SC1=S 2314413658 DGCDMDHRAPNPPL-UHFFFAOYSA-N 508.669 4.285 10 10 KICE CC1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C3SC(=S)N(CC(=O)O)C3=O)c2)CC1 2314476672 SWHZQYDUHMAHNS-UHFFFAOYSA-N 582.729 4.246 10 10 KICE CCOc1cc(C=C2SC(=S)N([C@@H](C(=O)OC)c3ccccc3)C2=O)cc(Br)c1OCC(=O)N1CCOCC1 2314768988 NAOQIEYZYJLHOC-HSZRJFAPSA-N 635.558 4.201 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)C=Cc3ccc(Cl)cc3)CC2)cc1 2328565364 DSIOOYIOARUCBZ-HHHXNRCGSA-N 520.029 4.144 10 10 KICE Cc1cccc(C)c1OCCOc1ccc(/C=C2\C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)cc1 103605251 PFVXPFPGCULWLO-WZOBNIDESA-N 531.638 4.393 10 10 KICE CCCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCC1)=C(N)O2 1864012540 CPXGUHHRGOJJJL-DEOSSOPVSA-N 502.615 4.439 10 10 KICE CCOCCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1 1864014041 LXAPGBONHYZLHJ-VWLOTQADSA-N 540.620 4.496 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)Cc3nc(-c4ccccc4C)oc3C)CC2)cc1 1868634003 ZHZMKSQFIMEQHL-SSEXGKCCSA-N 568.674 4.291 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3cccc(Cl)c3)C(=O)N(CCN3CCOCC3)C2=O)cc1 1873425872 OEQUEDHVMDZXKI-UHFFFAOYSA-N 505.018 4.272 10 10 KICE Cc1cccc(OCCCOc2ccc(C=C3C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2Cl)c1 2297346137 GQWFNOGXNWODNI-UHFFFAOYSA-N 533.031 4.118 10 10 KICE CCOCCCNc1nc2ccc(C)cn2c(=O)c1C=C1SC(=S)N(CCc2ccccc2)C1=O 2314413980 MQOCFCGRLDOCPF-UHFFFAOYSA-N 508.669 4.285 10 10 KICE COc1ccc(CCN2C(=O)/C(=C\c3c(N4CCCCC4)nc4ccccn4c3=O)SC2=S)cc1 33339529 AXXOXDHGAFPAOI-HEHNFIMWSA-N 506.653 4.137 10 10 KICE COc1ccc(/C=C2\SC(=S)N(CCCC(=O)N(Cc3ccc(N4CCCCC4)o3)[C@H]3CCS(=O)(=O)C3)C2=O)cc1 101909656 XCXVVXFDRHPMCC-VYUMYAIBSA-N 617.815 4.476 10 10 KICE C=C(Br)C(=O)Nc1ccc(S(=O)(=O)O)c(N=N[C@H]2C(=O)N(c3cc(Cl)c(S(=O)(=O)O)cc3Cl)N=C2C)c1 255986174 LSMLYSMFJGHQSH-QGZVFWFLSA-N 655.292 4.209 10 10 KICE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(N4CCN(C)CC4)cc3)[C@H]2c2ccc(O)c(O)c2)cc1 526388017 QITMCAMPIQCIJP-MHZLTWQESA-N 501.583 4.306 10 10 KICE Cc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(Cl)cc1)=C(N)O2 1864011001 CQJYYEJNZTYUSE-VWLOTQADSA-N 549.002 4.497 10 10 KICE CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCCCN1CCCC1)[C@H]2c1ccc(O)c(O)c1 1864015285 NYIOOGWZSPVAMS-VWLOTQADSA-N 545.684 4.304 10 10 KICE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCc1nc3ccccc3[nH]1)[C@H]2c1ccc(O)c(O)c1 1864016396 NXMNOOWNXYADSQ-DEOSSOPVSA-N 536.592 4.259 10 10 KICE CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOc1ccccc1)=C(N)O2 1864017831 WEQIHMNVWCEOQA-VWLOTQADSA-N 526.593 4.044 10 10 KICE Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOc3ccccc31)=C(N)O2 1865026872 BXNXWVCYLZNYCU-DEOSSOPVSA-N 530.968 4.366 10 10 KICE CCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1C)=C(N)O2 1865035146 MJAXZNMMYBILIV-QMHKHESXSA-N 506.578 4.140 10 10 KICE CCCC[C@H](NC(=O)CCS(=O)(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868744199 CNPRPVPSIXGLAH-MHZLTWQESA-N 557.757 4.180 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCc3nc4ccccc4[nH]3)C(=O)N(CCCCN(C)C)C2=O)cc1 1873168936 QJLIVTBARWHEFX-UHFFFAOYSA-N 510.642 4.182 10 10 KICE CCOc1cc(C=C2C(=N)N3N=C(S(=O)(=O)CC(C)C)SC3=NC2=O)ccc1OC(=O)c1cccs1 2297346467 JYTACFKZFPCJLP-UHFFFAOYSA-N 546.652 4.013 10 10 KICE Oc1cc(O)c2c(c1)O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]4c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2 96086151 BYSRPHRKESMCPO-HMQYECKYSA-N 864.765 4.242 10 10 KICE endogenous,in-man COc1ccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2OC)cc1 103606206 CRKMPLULNHMWNX-AHXGQMSJSA-N 529.578 4.224 10 10 KICE Cc1ccc2nc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)c(/C=C3\SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(=O)n2c1 150620715 KVFQPZVOWVMSQC-MIXAMLLLSA-N 707.838 4.257 10 10 KICE CCN(CC)C(=O)COc1ccc(-c2c(C)sc(NC(=O)C(=O)NCc3ccc(OC)cc3)c2C(=O)OC)cc1 1860763666 LZJIPFIRKFXOOC-UHFFFAOYSA-N 567.664 4.021 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)C3CCN(Cc4ccc(C(C)(C)C)cc4)CC3)CC2)cc1 1861974933 GBRNTISKLMQAHO-QHCPKHFHSA-N 520.718 4.058 10 10 KICE CC[C@H](NC(=O)c1ccc2nc(-c3cccc(C)c3)[nH]c2c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862097069 FVMWDFBVNBBKGO-VWLOTQADSA-N 511.626 4.404 10 10 KICE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1)=C(N)O2 1864007957 YCBNDEMXSBWPEK-QHCPKHFHSA-N 502.958 4.256 10 10 KICE Cc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCC1)=C(N)O2 1864008383 JGNCXSJARNGGOF-QFIPXVFZSA-N 539.430 4.498 10 10 KICE Cc1cc(C)cc(OCCNC(=O)C2=C(N)Oc3c(c(C)nn3Cc3ccccc3)[C@H]2c2ccc(O)c(O)c2)c1 1864008778 RWFQINRDYNNRBS-HHHXNRCGSA-N 540.620 4.158 10 10 KICE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@@H](NC(=O)[C@H]3CC(=O)N(c4ccccc4)C3)c3ccccc3)cccc21 1866871098 TZWZUUYASDFEEV-LGGPFLRQSA-N 543.579 4.311 10 10 KICE COc1ccc(CN2C(=O)c3ccc(C(=O)N[C@H](C)C(=O)NC[C@@H](c4ccc(N(C)C)cc4)N4CCCCC4)cc3C2=O)cc1 1867445948 QXOQBAASZXNMJX-IPBJYNAHSA-N 611.743 4.019 10 10 KICE CCC[C@@H](NC(=O)[C@H](c1ccc(OC)c(OC)c1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868863720 MDAZGAIUQITLJP-SQHAQQRYSA-N 511.663 4.086 10 10 KICE COc1ccccc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCN2CCOCC2)C1=O 1873426222 XJLRBMQVIWPLFO-UHFFFAOYSA-N 514.626 4.017 10 10 KICE COc1cc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCc1ccc(Cl)cc1Cl 2297346010 WFOOSNBXFDGEGV-UHFFFAOYSA-N 539.422 4.202 10 10 KICE CCS(=O)(=O)C1=NN2C(=N)C(=Cc3cc(Cl)c(OCc4ccccc4F)c(OC)c3)C(=O)N=C2S1 2297346275 RILGGLRXWCDYRX-UHFFFAOYSA-N 536.994 4.078 10 10 KICE Cc1cccn2c(=O)c(C=C3SC(=S)N(CCCc4ccccc4)C3=O)c(NC[C@@H]3CCCO3)nc12 2297461028 IBTPEPOHINWBJA-FQEVSTJZSA-N 520.680 4.428 10 10 KICE COc1cc(C=C2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1cccc(C(=O)O)c1 2313543649 YZZWEZTYNDGKDA-UHFFFAOYSA-N 522.966 4.457 10 10 KICE COc1cccc(OCCCOc2ccc(/C=C3\C(=N)N4C(SC)=NSC4=NC3=O)cc2OC)c1 96459409 RVJKGCFMXQQKTR-SCORJZKRSA-N 512.613 4.491 10 10 KICE Cc1ccc2nc(NCCCOC(C)C)c(/C=C3/SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(=O)n2c1 101011860 ZZMKYUWAXGZLAE-XQNSMLJCSA-N 604.758 4.434 10 10 KICE Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](c2ccc(N(C)C)cc2)NN3C(=O)c2cccc(Br)c2)cc1 101098781 YJWXLCQNNLSQFQ-SMIHKQSGSA-N 533.426 4.083 10 10 KICE CS(=O)(=O)c1ccc(-c2nsc(NC(=O)CCN3C(=O)/C(=C/c4ccc(Cl)cc4)SC3=S)n2)cc1 102271492 LHIVALXNSXKIPD-ATVHPVEESA-N 565.123 4.492 10 10 KICE COc1ccc(/C=C2/SC(=S)N(CCCC(=O)N(Cc3sccc3C)[C@H]3CCS(=O)(=O)C3)C2=O)cc1 207325844 SORVLHCTOFBHOD-ORTNRGLGSA-N 564.776 4.262 10 10 KICE CCOC(=O)CC1=NN(c2ccccc2)C(=O)C1=c1sc(=C2Sc3ccc(Cl)cc3N2C)c(=O)n1-c1ccccc1 252676156 WEDVRCZCEAPMGZ-UHFFFAOYSA-N 603.125 4.367 10 10 KICE COc1ccccc1OCC(=O)Nc1cccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)n1 1860557089 MGTMVIITASPMHU-UHFFFAOYSA-N 507.502 4.135 10 10 KICE CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN(CC)CC)=C(N)O2 1864017122 FWVKWEFPWDHZPQ-RUZDIDTESA-N 533.673 4.087 10 10 KICE CCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@H](C)C1)=C(N)O2 1865034600 AEOMREUCUBIFHO-UAVUOLJFSA-N 520.605 4.243 10 10 KICE CCc1ccc([C@@H]2C(C(=O)N3CCN(c4ccc(OC)cc4)CC3)=C(N)Oc3c2c(C(F)(F)F)nn3C)cc1 1865499950 SOVCRSPDFYZGOO-NRFANRHFSA-N 541.574 4.053 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)Cc3nc(-c4ccccc4OC)oc3C)c3ccccc3)CC2)cc1 1868655591 WABIUHYRZURZSW-SSEXGKCCSA-N 554.647 4.416 10 10 KICE COc1ccc(N2CCN(c3nc(=NCc4ccc(C)cc4)[nH]c(=Nc4cccc(C)c4C)[nH]3)CC2)cc1 1871592349 MSYOBRGYGZWZRW-UHFFFAOYSA-N 509.658 4.332 10 10 KICE CCOc1ccc(OCC(=O)Oc2cccc(C(=O)CCN3CCN(c4ccc(OC)cc4)CC3)c2)cc1 1874738019 YUMLUZDEMAUJFL-UHFFFAOYSA-N 518.610 4.473 10 10 KICE COc1ccc([C@H]2[C@H](C(=O)N3CCN(c4ccc(OC)cc4)CC3)c3ccccc3CC(=O)N2C2CC2)cc1 1892028317 RGEXJEUGKFILSO-JSOSNVBQSA-N 525.649 4.425 10 10 KICE O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)cc1 1892138522 SBDKCVJSFTZKCA-APTRMMRNSA-N 532.504 4.297 10 10 KICE CCOc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC(C)C)ccc1OCc1ccccc1 2297345763 ZOTCFGZKKWJYFB-UHFFFAOYSA-N 526.640 4.312 10 10 KICE Cc1ccc2nc(N3CCN(c4ccc(F)cc4)CC3)c(C=C3SC(=S)N(CC(C)C)C3=O)c(=O)n2c1 2297463911 CLRBXFPDFSQNQH-UHFFFAOYSA-N 537.686 4.326 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)C=Cc4cc(OC)ccc4OC)n(C(C)(C)C)n3)CC2)cc1 2331396984 WWIMDAGGPMRNLP-UHFFFAOYSA-N 520.634 4.037 10 10 KICE C/C(NCCN1CCOCC1)=C1/C(=O)N(c2nc3ccccc3s2)N=C1CSc1ccc(C)cc1 100641714 KNYQZXGWRGRFBP-CLCOLTQESA-N 507.685 4.295 10 10 KICE CC[C@@H](C)N1C(=O)/C(=C\c2c(N3CCN(c4ccc(OC)cc4)CC3)nc3ccc(C)cn3c2=O)SC1=S 103650933 LNMQONSXVCQTPD-KMYAOZERSA-N 549.722 4.338 10 10 KICE C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3/SC(=S)N(CCCC(=O)O)C3=O)c2)C[C@@H](C)O1 110558248 IIEXLDOYZRXXQO-LZSGNZRWSA-N 626.782 4.403 10 10 KICE COc1ccc(C=c2sc3n(c2=O)[C@H](c2ccc(N(C)C)cc2)C(C(=O)Nc2ccccc2C)=C(C)N=3)cc1 252669660 IHIKPMIWPXWBDH-MUUNZHRXSA-N 538.673 4.257 10 10 KICE CCOC(=O)Oc1c2c(c(OC(=O)OCC)c3c1C(=O)c1cccc(OC)c1C3=O)[C@@H](OC(=O)OCC)C[C@@](O)(C(C)=O)C2 256607177 YJTXQIIZHCNWLB-YVGXBJCXSA-N 614.556 4.022 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 1084402130 OZTWVXHGXZBYNC-HHHXNRCGSA-N 572.643 4.341 10 10 KICE O=C(CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)NC[C@H]1CCCN2CCCC[C@H]12 1615156330 WUVLKQNDVAPGRX-QFQXNSOFSA-N 509.654 4.345 10 10 KICE Cc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)c1ccccc1)=C(N)O2 1864011672 JUQUIQQDPFNVFU-PUAOIOHZSA-N 514.557 4.362 10 10 KICE CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCCCN1CCCC1)[C@@H]2c1ccc(O)c(O)c1 1864015284 NYIOOGWZSPVAMS-RUZDIDTESA-N 545.684 4.304 10 10 KICE CCCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCCC1)=C(N)O2 1865029810 VQDWXOLSSPJABQ-DEOSSOPVSA-N 502.615 4.392 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)[C@@H](Cc3ccccn3)c3ccccc3)CC2)cc1 1868665100 URORXOGTJVXVFZ-AJQTZOPKSA-N 564.686 4.198 10 10 KICE CCCC[C@@H](NC(=O)C[C@@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868692804 GMFJTWIDNCXZPO-KAYWLYCHSA-N 535.685 4.374 10 10 KICE CC[C@@](C)(NC(=O)c1cc(C2CC2)n2nc(C(C)(C)C)cc2n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868996630 UVQQTCAJWBOKRB-SSEXGKCCSA-N 532.689 4.160 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)C4CCCC4)n(-c4ccc(Br)cc4)n3)CC2)cc1 1869970124 YTVMTQJFTXFQER-UHFFFAOYSA-N 525.451 4.494 10 10 KICE CCN(CC)CCCn1cc(OCc2ccccc2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870468925 ZNQCUPXRHBAPIM-UHFFFAOYSA-N 518.702 4.490 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccc(OC(C)(C)C)cc3)C(=O)N(CCN3CCOCC3)C2=O)cc1 1873162591 CZUAQCCLPXGXHB-UHFFFAOYSA-N 556.707 4.473 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)c3ccc(F)c(F)c3F)CC2)cc1 1874643155 UOSJQEQZCYSKKN-VWLOTQADSA-N 536.554 4.284 10 10 KICE CCOc1cc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OC(=O)c1ccc(C(C)C)cc1 2297346308 USIOLPCFJSKSFM-UHFFFAOYSA-N 540.623 4.049 10 10 KICE CCOc1cc(C=C2C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)ccc1OCc1ccc(F)cc1 2297468414 FLZWNXOTGGBYMU-UHFFFAOYSA-N 535.601 4.435 10 10 KICE CCOc1c(I)cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1OC 2313559438 AAUIYOWPLBZYGN-UHFFFAOYSA-N 571.165 4.127 10 10 KICE Cc1ccc(NC(=O)COc2ccc(Br)cc2C=C2SC(=S)N(CC(=O)O)C2=O)cc1 2314842180 DOZPJBWDCDCHLJ-UHFFFAOYSA-N 521.414 4.061 10 10 KICE Cc1ccc(NC(=O)COc2ccc(Cl)cc2C=C2SC(=S)N([C@H](CCC(=O)O)C(=O)O)C2=O)cc1 2314842265 KVGUAZWICXAOKW-QGZVFWFLSA-N 549.026 4.185 10 10 KICE CCc1ccc(N2C(=O)/C(=C\c3cc(Br)c(OCC(=O)O)c(Br)c3)C(=O)NC2=S)cc1 101724213 FQBFSJRMDLWGPX-AUWJEWJLSA-N 568.243 4.069 10 10 KICE CCOc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 104101196 FOOJSEUAQCNAGE-CXROVBITSA-N 543.583 4.036 10 10 KICE O=C(/C=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)Nc1ccc(N2CCN(C(=O)/C=C\c3ccccc3)CC2)cc1 206018983 QCVCUWYOLJCTEQ-GOBHWCIESA-N 567.646 4.445 10 10 KICE CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1cccc(OC)c1OC 254615281 DZTKFDOBMYYHDD-MUUNZHRXSA-N 569.683 4.019 10 10 KICE CCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(F)cc2)[C@H]1c1ccc(O)c(O)c1 1864015566 CIFFOOQFLFWJLR-HSZRJFAPSA-N 514.557 4.370 10 10 KICE CCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cccs1)=C(N)O2 1864018006 AMZZGDGXSKZPHR-HSZRJFAPSA-N 534.613 4.159 10 10 KICE C[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867725360 GLKSRNNWIFYZRT-ONOMSOESSA-N 585.680 4.154 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)C[C@H](C)c3cccc(OC)c3)c3ccccc3)CC2)cc1 1868943720 QKDKJOOSBCCHDA-ZTOMLWHTSA-N 501.627 4.404 10 10 KICE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4cccc(F)c4)cn3C[C@H]3CCCO3)CC2)cc1 1870615082 PBINOXBPIDNZNU-HHHXNRCGSA-N 507.606 4.076 10 10 KICE COc1ccc(N2CCN(c3nc(=NCc4ccccc4)[nH]c(=Nc4cccc(Cl)c4C)[nH]3)CC2)cc1 1871491922 JRFYHNSTMYFPCG-UHFFFAOYSA-N 516.049 4.368 10 10 KICE CC[C@H](C)Nc1nc2ccccn2c(=O)c1C=C1SC(=S)N(CCc2ccc(OC)c(OC)c2)C1=O 2297459095 RDGOJJJDFNDJOA-INIZCTEOSA-N 524.668 4.366 10 10 KICE COc1ccc(C=C2SC(=S)N([C@@H]3CC(=O)N(c4ccccc4C(F)(F)F)C3=O)C2=O)cc1OC 2314834164 ZQRIJRGOOLXLBT-OAHLLOKOSA-N 522.526 4.256 10 10 KICE CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@H]1c1ccccc1Cl 2917747 ZWFIUYGMIWRXJG-XXMKCSCWSA-N 540.085 4.307 10 10 KICE COc1ccc(/C=C2\SC(Nc3nnc(SCC(=O)Nc4ccc(OC)cc4)s3)=NC2=O)cc1 54201825 MMNRAQCUFBHZNO-BOPFTXTBSA-N 513.626 4.369 10 10 KICE Cc1c(/C=C2\SC(=S)N(Cc3ccc(F)cc3)C2=O)c(NCc2ccc3c(c2)OCO3)n(C)c(=O)c1C#N 143280550 ZZJYZWFSOMKWMQ-RMORIDSASA-N 548.621 4.447 10 10 KICE CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)cc1 205611258 ILDMAUKFQHONKH-DHNIJCFSSA-N 513.660 4.301 10 10 KICE COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccccc3N3CCOCC3)[C@H]2c2ccc(O)c(O)c2)c1 526499876 HXAUMLWAUZWZMX-SANMLTNESA-N 504.539 4.009 10 10 KICE CC[C@@H]1CCCCN1C(=O)CN1CCOCCOc2ccc(N3CCOCC3)cc2Cc2cccc(c2)C1 643588930 MPHZAVHVWJKJNE-MUUNZHRXSA-N 521.702 4.116 10 10 KICE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCC(C)C)=C(N)O2 1864010606 OVPLOCROOXSDEP-NRFANRHFSA-N 541.446 4.465 10 10 KICE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)N1CCCC[C@H]1C)[C@@H]2c1ccc(O)c(O)c1 1865034396 VWBGSZGGAJBKLJ-OPAMFIHVSA-N 504.587 4.085 10 10 KICE CCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCCC1)=C(N)O2 1865034938 HYFUFRIYWJPSJJ-HSZRJFAPSA-N 506.578 4.141 10 10 KICE O=C(CCc1nc(O)c2ccccc2n1)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867262751 XVTMVWBOAZOGTE-MHZLTWQESA-N 586.604 4.115 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCN(c5ccc(OC)cc5)CC4)nc(C(C)(C)C)n3)CC2)cc1 1867969310 UQJFEWWPIPPYNE-UHFFFAOYSA-N 516.690 4.445 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)c4cccc(OC(C)=O)c4)n(-c4ccc(C)cc4)n3)CC2)cc1 1869970096 NGWJKCPFECSZDS-UHFFFAOYSA-N 526.597 4.089 10 10 KICE COc1ccc(N2CCN(c3nc(=NCc4ccccc4C)[nH]c(=Nc4cc(C)ccc4C)[nH]3)CC2)cc1 1871671732 DTBXDKRWGGIMPQ-UHFFFAOYSA-N 509.658 4.332 10 10 KICE COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)C1=Cc1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1 2294061109 FJGNAXWBKLSFTF-UHFFFAOYSA-N 571.449 4.393 10 10 KICE COc1ccc(N2C(=O)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C(=O)NC2=S)c(OC)c1 2313543680 BDJDAZMIHDEQCH-UHFFFAOYSA-N 558.366 4.466 10 10 KICE Cc1ccc(C=C2SC(=S)N(CC(=O)N(Cc3c(F)cccc3Cl)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 2314603335 JVPNZFFESPKDAS-QGZVFWFLSA-N 553.102 4.205 10 10 KICE C[C@@H]1C[C@H]1c1ccc(CN(C(=O)CCN2C(=O)C(=Cc3ccc(F)cc3)SC2=S)[C@@H]2CCS(=O)(=O)C2)o1 2314829199 RBINRFGENLDREK-OZOXKJRCSA-N 562.710 4.349 10 10 KICE CCN1C(=O)COc2ccc(-c3csc(NS(=O)(=O)c4ccc(Br)s4)n3)cc21 11858024 WDZADDVKEPNPIC-UHFFFAOYSA-N 500.421 4.180 10 10 KICE CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3)c(=O)n2[C@H]1c1ccc(OCC)c(OC)c1 101095302 KUCXSTBMDPTVHP-CMISJSSVSA-N 549.693 4.052 10 10 KICE COc1ccccc1[C@H]1CC(c2cccn2C)=NN1C(=O)CN(CCN1CCOCC1)C(=O)c1ccc(C(F)(F)F)cc1 103231728 SHCYYZDJJXDLMS-HHHXNRCGSA-N 597.638 4.205 10 10 KICE Cc1c(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)c(N2CCN(c3ccccc3)CC2)n(C)c(=O)c1C#N 105617103 SHRPJONSDIFIPI-KOEQRZSOSA-N 541.702 4.293 10 10 KICE CC1=NN(c2ccccc2)C(=O)C1=c1sc(=C2Sc3ccc(Cl)cc3N2C)c(=O)n1Cc1ccccc1 252677407 YQBYUOCVRPNEOQ-UHFFFAOYSA-N 545.089 4.493 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cccc(OCc4ccccc4)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 254715149 MVRNLUQFOPVFHJ-LJAQVGFWSA-N 553.684 4.443 10 10 KICE CCOc1ccc(C2=C(O)C(=O)N(c3cc(C(=O)OC)ccc3C(=O)OC)[C@@H]2c2ccc(O)c(O)c2)cc1 526601733 ULNJCLDKLDJJBJ-XMMPIXPASA-N 519.506 4.127 10 10 KICE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccco1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865307807 LSWIDUBMSYQZHF-HHHXNRCGSA-N 539.636 4.470 10 10 KICE COc1ccc(CCNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCOC(C)C)C2=O)cc1OC 1873166501 RCPFGYMICYYOBA-UHFFFAOYSA-N 531.653 4.449 10 10 KICE CCOc1cc(C=C2SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)cc(Br)c1OCC(=O)N1CCOCC1 2314765083 UMBXLPZPGRMENM-UHFFFAOYSA-N 640.965 4.285 10 10 KICE CCCn1c(N2C[C@H](C)O[C@H](C)C2)c(/C=C2\SC(=S)N(C3CCCC3)C2=O)c(C)c(C#N)c1=O 39990280 MEKPIZKBIMKYHU-YAFZODKBSA-N 500.690 4.196 10 10 KICE CCN1C(=O)/C(=C/c2cn(CC(=O)N3[C@@H](C)CCC[C@H]3C)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 101377651 RNAQMGLCSPQXPB-JEXDNQGLSA-N 590.746 4.359 10 10 KICE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CCS(=O)(=O)O)C2=O)cc1 102837858 LBGGIESGOLRAPE-RCCKNPSSSA-N 529.665 4.417 10 10 KICE CN1C(=O)C(=Cc2ccc(Sc3nc4ccc(N5C(=O)[C@H]6CCCC[C@@H]6C5=O)cc4s3)c([N+](=O)[O-])c2)C(=O)N(C)C1=O 103806119 WBWPRWWWMZMHHW-IRXDYDNUSA-N 605.654 4.469 10 10 KICE O=C(COc1c(Br)cc(Br)cc1Br)NC1=NN(c2ccccc2)C(=O)C1 105369118 FULZEEXUNVEYPR-UHFFFAOYSA-N 546.013 4.220 10 10 KICE CCCn1c(N2CCN(c3ccc(F)cc3)CC2)c(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c(C)c(C#N)c1=O 110527240 NFNDTZMAQWYTEU-TYGBLEFESA-N 581.739 4.284 10 10 KICE COc1c(/C=C2\C(=O)NC(=O)N(c3ccc(I)cc3)C2=O)c(CCN(C)C(=O)c2ccccc2)cc2c1OCO2 150464520 VJWAXWHIWJUVMB-PXLXIMEGSA-N 653.429 4.010 10 10 KICE COc1ccc(-n2c(=C(C#N)C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)sc(=Cc3ccc(N4CCOCC4)cc3)c2=O)cc1 254294029 RVSHZYQXXNXHLN-UHFFFAOYSA-N 697.861 4.181 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=C/C(Br)=C\c3ccccc3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 1084470072 DKXBSABTBCBUJL-HPGFBOOGSA-N 552.494 4.252 10 10 KICE C[C@@H]1C[C@@H](C)CN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)C1 1772721299 FTMMPSOLINHEJK-OYVQJDAOSA-N 534.663 4.307 10 10 KICE CCCCOCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2ccccc2F)[C@H]1c1ccc(O)c(O)c1 1864018989 TYLSIVKSBDTZQO-XMMPIXPASA-N 538.620 4.062 10 10 KICE NC1=C(C(=O)N2CCCCC2)[C@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3ccccn3)c2O1 1865031462 HKZHTZZEZZTRSD-HSZRJFAPSA-N 509.566 4.053 10 10 KICE NC1=C(C(=O)N2CCCC2)[C@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3cccc(Cl)c3)c2O1 1865032193 XNVOLFFIVJCYGA-QGZVFWFLSA-N 520.895 4.273 10 10 KICE CCCC[C@H](NC(=O)c1cccc(N(CCC)CCC)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868604295 GGKLSPANGPYSHJ-SANMLTNESA-N 509.695 4.354 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccccn3)c3ccccc3)CC2)cc1 1868668035 POGJEVFBGKHEQR-ZWXJPIIXSA-N 548.687 4.493 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)Cc3nc(-c4cccc(Br)c4)oc3C)C(C)C)CC2)cc1 1869005264 YHNBSBOREUGWHA-SANMLTNESA-N 569.500 4.453 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)/C=C/c4ccccc4)n(-c4ccc(OC)cc4)n3)CC2)cc1 1869969561 FFKAMLJHLUQDPF-CAOOACKPSA-N 510.598 4.263 10 10 KICE CCOc1cc(C=C2C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)cc(Br)c1O 2294956848 PEADJGCRJIHLFC-UHFFFAOYSA-N 526.206 4.147 10 10 KICE Cc1ccc2nc(N3CCCCC3)c(C=C3SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(=O)n2c1 2296705099 PTSCWIIUAVTCBT-UHFFFAOYSA-N 520.636 4.123 10 10 KICE CCc1nnc(NC(=O)COc2ccc(C=C3SC(=S)N(Cc4ccco4)C3=O)cc2OC)s1 2314490546 YWELISBZMFWLET-UHFFFAOYSA-N 516.626 4.121 10 10 KICE Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)C1=O 2144081 KTRZOVZSLZJYRT-XKZIYDEJSA-N 538.651 4.033 10 10 KICE Cc1ccc2nc(NC[C@@H]3CCCO3)c(/C=C3\SC(=S)N(Cc4ccc(F)cc4)C3=O)c(=O)n2c1 33803775 JAVNVBZNDNNHLX-ISRVBRPNSA-N 510.616 4.134 10 10 KICE CCCOc1ccc(S(=O)(=O)NC[C@H](c2ccco2)N2CCN(c3ccc(OC)cc3)CC2)cc1C 38619489 HZQIUDLXVSDFQX-RUZDIDTESA-N 513.660 4.227 10 10 KICE CC1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3\SC(N4CCOCC4)=NC3=O)c2)CC1 101013478 UKYGPKJFCITZSN-XHPQRKPJSA-N 577.732 4.262 10 10 KICE O=C(O)CCCCCNC(=O)CCN1C(=O)/C(=C/c2cc(Br)cc(Br)c2O)SC1=S 101966775 VFTWPTRTNRQTSQ-ZROIWOOFSA-N 580.320 4.270 10 10 KICE CCCCCCN1C(=O)/C(=C2/SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c2cc(Br)ccc21 102842092 UWJXMQBBKJBXKV-IAFNSTAXSA-N 543.530 4.135 10 10 KICE CCN(CC)c1ccc(/C=C2/N=C(SCC(=O)Nc3c[n+](N4CCCCC4)no3)N(c3ccccc3)C2=O)cc1 103408762 CMEOBYKMCOZOKR-NCELDCMTSA-O 560.704 4.046 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 252671610 NTOUSVVNXFHASO-MUUNZHRXSA-N 575.662 4.362 10 10 KICE Cc1ccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3Cc3ccc(F)cc3)[C@H]2c2ccc(O)c(O)c2)cc1 1864012032 PPNLIAXUYAKHMX-RUZDIDTESA-N 514.557 4.110 10 10 KICE C[C@H](NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccn2)[C@H]1c1ccc(O)c(O)c1)c1ccccc1 1864021604 DGJVJLWROCDTMQ-VBKZILBWSA-N 537.498 4.269 10 10 KICE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCCC1)=C(N)O2 1865025639 BBUKBLIZCHQWBI-QHCPKHFHSA-N 509.006 4.402 10 10 KICE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4CC(C)C)[C@@H]3c3ccc(C)cc3)CC2)cc1 1865179913 MHRWMXIVEVKFKC-SANMLTNESA-N 515.658 4.208 10 10 KICE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(-c5ccccc5)nn4C)[C@@H]3c3ccc(C)cc3)CC2)cc1 1865187005 DOULIJADCUQIIT-SANMLTNESA-N 535.648 4.448 10 10 KICE CN(C)c1ccc([C@@H](CNC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)N2CCCCC2)cc1 1867790419 WBBXIIBLCKSECJ-BZKUTMRRSA-N 628.774 4.182 10 10 KICE CC[C@@H](C(=O)N[C@@H](CCSC)C(=O)N1CCN(c2ccc(OC)cc2)CC1)c1ccc(Cl)cc1 1868834233 ADXCNJJRBUNOKB-RPWUZVMVSA-N 504.096 4.429 10 10 KICE CC/C(=C\C(=O)N[C@H](C)C(=O)N1CCN(c2ccc(OC)cc2)CC1)c1cc(Br)ccc1OC 1868949068 JVDVTHWLGCUQHR-CQGUWYRNSA-N 530.463 4.113 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)Cc3ccc(F)cc3F)CC2)cc1 1874642674 KRXFFRCGOULDHZ-MUUNZHRXSA-N 532.591 4.074 10 10 KICE O=C(CN1C(=O)C(=C2SC(=S)N(C[C@H]3CCCO3)C2=O)c2ccccc21)Nc1ccccc1Cl 2296713642 NBIMCWASKXKSCI-CQSZACIVSA-N 514.028 4.076 10 10 KICE COc1cccc(-n2c(C)cc(C=C3C(=N)N4N=C(CC(=O)N5CCCCC5)SC4=NC3=O)c2C)c1 2297469035 WZXQIGRRYISNAI-UHFFFAOYSA-N 504.616 4.125 10 10 KICE C[C@@H]1CCCCN1c1nc2ccccn2c(=O)c1C=C1SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O 2314413965 MFMGCGAXNHTZRX-MRXNPFEDSA-N 520.636 4.203 10 10 KICE COc1cc(/C=C2\C(=O)N(C)C(=S)N=C2O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 33333053 LOIOKXGBKLDXQV-AUWJEWJLSA-N 506.334 4.042 10 10 KICE CCOC(=O)[C@H]1CCCN(c2cc(N3CCN(C(=O)c4ccco4)CC3)c3c4c(onc24)-c2ccccc2C3=O)C1 101434985 WUTMMOYOHQFQLB-IBGZPJMESA-N 554.603 4.374 10 10 KICE CCCCn1c(N2CCN(c3ccccc3F)CC2)c(/C=C2\SC(=S)N(CCOC)C2=O)c(C)c(C#N)c1=O 110531312 CXCUJUDZJCUBSH-ULJHMMPZSA-N 569.728 4.142 10 10 KICE Cc1c(N2C(=O)/C(=C/c3c(NC[C@@H](O)c4ccccc4)nc4ccccn4c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C 110555662 XMBQQAMYEYVJRM-QHKNXTSZSA-N 610.721 4.044 10 10 KICE COc1ccc([C@@H](C)NC(=O)C2=C(N)Oc3c(c(C)nn3-c3ccccc3)[C@@H]2c2ccc(O)c(O)c2)cc1 1864007274 JLNZMGHAMOLBDH-CPJLOUKISA-N 512.566 4.173 10 10 KICE Cc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)C13CC4CC(CC(C4)C1)C3)=C(N)O2 1864011106 ZGWAYAFZIIIOKD-GMHFDQIDSA-N 541.652 4.403 10 10 KICE COCCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1 1864014654 ZPEMVVCRPAILQZ-DEOSSOPVSA-N 526.593 4.106 10 10 KICE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)N2CCc4ccccc4C2)[C@H]3c2ccc(O)c(O)c2)cc1 1865026851 BOWNJOPZXRRNDD-MHZLTWQESA-N 522.605 4.239 10 10 KICE C[C@@H]1CCCN(C(=O)C2=C(N)Oc3c(c(-c4ccccc4)nn3-c3ccccn3)[C@@H]2c2ccc(O)c(O)c2)C1 1865031287 DNOIPPHPMNLVMP-KOSHJBKYSA-N 523.593 4.299 10 10 KICE COCCCN1C(=O)c2ccc(C(=O)N[C@@H](Cc3ccccc3)C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O 1867517456 DVJDINQDCHTQAF-JHOUSYSJSA-N 639.797 4.070 10 10 KICE CC(=O)Oc1ccc(C[C@H](NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867789815 RVXCTSQCBOHBRF-HJIQQCSTSA-N 686.810 4.107 10 10 KICE CN(C)c1ccc([C@H](CNC(=O)C(C)(C)NC(=O)c2ccccc2I)N2CCCCC2)cc1 1867855586 IRZSJWNOJSFAHC-QHCPKHFHSA-N 562.496 4.209 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3nc(C4CC4)n4ccccc34)c3ccccc3)CC2)cc1 1868778376 KHVYUTUPBUVARJ-SANMLTNESA-N 509.610 4.040 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)C[C@H](C)c3cccc(Cl)c3)CC2)cc1 1868995772 VJQQRIJZQDAWPB-CYFREDJKSA-N 504.096 4.429 10 10 KICE CCOC(=O)Cc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCOC)C2=O)cc1 1873420740 ULVAXMXDYCTCRE-UHFFFAOYSA-N 515.610 4.428 10 10 KICE CC[C@@H](C)Oc1c(I)cc(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)cc1OC 2294353285 WFMZYPVYKOFOAX-CYBMUJFWSA-N 526.371 4.272 10 10 KICE COc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc(Cl)c1OCc1ccc(Cl)cc1 2297345279 IGXIWZNBVHFXQJ-UHFFFAOYSA-N 539.422 4.202 10 10 KICE COCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)c2)SC1=S 2314475977 GTLQZVJKTAWERK-BGYRXZFFSA-N 598.772 4.185 10 10 KICE CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccccc3Br)C2=O)ccc1O[C@H](C)C(=O)O 2314934632 JBNWQDPWDIEMJO-GFCCVEGCSA-N 551.440 4.246 10 10 KICE CCN1C(=O)/C(=C2\SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)c2cc(Br)ccc21 101743830 YQCYQFICAYPDSG-NXVVXOECSA-N 522.833 4.385 10 10 KICE Nc1ccc(NC(=O)COc2c(I)cc(I)cc2I)cc1 154587159 PQAIQYMFKAPTMN-UHFFFAOYSA-N 619.966 4.100 10 10 KICE COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(\C)Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1 205948284 HZRQKRIEJAEZPN-XQNSMLJCSA-N 580.648 4.354 10 10 KICE Cc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCc3ccccc31)=C(N)O2 1865026563 PTKAAUXREXQLDB-SANMLTNESA-N 526.568 4.464 10 10 KICE CCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C)CC1)=C(N)O2 1865032353 ASTVIAYCYGYPLG-QFIPXVFZSA-N 509.006 4.452 10 10 KICE O=C(CN1C(=O)/C(=C2/SC(=S)N(C[C@H]3CCCO3)C2=O)c2ccccc21)Nc1cccc(Cl)c1 33882068 GCFXKRLHSVEAIU-FVGNFYTDSA-N 514.028 4.076 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(C)C)c(Br)c3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 252669401 HKIGSXFSNOQCQI-QHCPKHFHSA-N 635.378 4.398 10 10 KICE COc1ccc(/C=C2/SC(=S)N(CCC(=O)N(Cc3ccc([C@@H]4C[C@@H]4C)o3)[C@H]3CCS(=O)(=O)C3)C2=O)cc1 1772756601 CEUSTVFLZUWVAX-YWOAPHPXSA-N 574.746 4.219 10 10 KICE CCN(CC)C(=O)COc1ccc(-c2c(C)sc(NC(=O)C(=O)NCCc3ccc(OC)cc3)c2C(=O)OC)cc1 1860763880 PTQHSYBVKODHIZ-UHFFFAOYSA-N 581.691 4.063 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)CSc3ccccc3)CC2)cc1 1874642323 AXUUHJWJMGYLDI-MUUNZHRXSA-N 528.678 4.345 10 10 KICE CS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(OCc4ccc(Cl)c(Cl)c4)cc3)C(=O)N=C2S1 2297345996 UXCAUGVIWIVVKR-UHFFFAOYSA-N 509.396 4.194 10 10 KICE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(Br)c(Br)c1O 2313559735 PMRSSXFFFVUSKQ-UHFFFAOYSA-N 575.007 4.355 10 10 KICE COC(=O)[C@@H](c1ccccc1)N1C(=O)C(=Cc2ccc(OCC(=O)N3CCCCC3)cc2)SC1=S 2314767038 CUCVGRUMWAMCBN-HSZRJFAPSA-N 510.637 4.193 10 10 KICE COc1cc(/C=C2\C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)c(Br)c(Br)c1O 12412703 ZASWKMWLDHZEPV-QPEQYQDCSA-N 510.138 4.430 10 10 KICE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(N3CCCCC3)nc12 100885860 GBGGHCMAKRWBRF-OQKWZONESA-N 572.716 4.197 10 10 KICE CC(C)CCN1C(=O)/C(=C\c2c(N3CCN(Cc4ccccc4)CC3)nc3ccccn3c2=O)SC1=S 102987210 BSMUGCBQRRZSEN-PTGBLXJZSA-N 533.723 4.264 10 10 KICE Cc1cc(Br)c(N2C(=O)NC(=O)/C(=C\c3cccc(I)c3)C2=O)cc1C 103813288 UWGGEFHZDTUHSG-NTEUORMPSA-N 525.140 4.337 10 10 KICE Cc1cccn2c(=O)c(/C=C3\SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(N3CCC[C@H](C)C3)nc12 110076072 WUHZKXYLVFAQOB-PAJXCOJRSA-N 586.743 4.443 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3cccc(Br)c3)c3ccccc3)CC2)cc1 1862041507 LSDFJZGLFJEWNA-XMMPIXPASA-N 508.416 4.278 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)[C@@H](C)Oc3ccccc3C(C)C)CC2)cc1 1862206907 YOQPOEZVXLLSJN-PXDATVDWSA-N 513.704 4.173 10 10 KICE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NCCCOC(C)C)[C@@H]2c1ccc(O)c(O)c1 1864017818 VYVABXFMZIAEFM-HSZRJFAPSA-N 536.629 4.006 10 10 KICE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4-c4ccccc4)[C@@H]3c3cccs3)CC2)cc1 1865317035 LGFKUBJLCKXHND-VWLOTQADSA-N 527.650 4.294 10 10 KICE CN(C)c1ccc([C@H](CNC(=O)CCCN2C(=O)c3ccc(Br)cc3C2=O)N2CCCCC2)cc1 1866022889 SMIBZTCGFJNKGG-DEOSSOPVSA-N 541.490 4.235 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)CCSc3nnc(-c4ccccc4)n3C)c3ccccc3)CC2)cc1 1868920143 YXNVRCXOZCELGO-NDEPHWFRSA-N 570.719 4.179 10 10 KICE COc1ccc(CCNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCCN(C)C)C2=O)cc1OC 1873166350 MQWWRSSLRCNPAH-UHFFFAOYSA-N 544.696 4.365 10 10 KICE O=C(NN1C(=O)C(=C2C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)SC1=S)c1cccnc1 2314717688 MGLWDCRRRACBEE-UHFFFAOYSA-N 506.996 4.198 10 10 KICE CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C(C)(C)C)cc3)C2=O)ccc1OCC(=O)O 16915850 NQFOEFAPPHADHY-DEDYPNTBSA-N 514.625 4.392 10 10 KICE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCCCOc4c(C)cccc4C)cc3)C(=N)N21 101395514 LIUJYEWQTYPWJN-ARJKYRGMSA-N 526.640 4.163 10 10 KICE O=C1c2ccccc2C(=O)c2cc(CN3C(=O)[C@@H]4[C@@H](c5cc(Cl)cc(Cl)c5Cl)N[C@@H](C(=O)O)[C@H]4C3=O)ccc21 102462091 JDVKAXJWFVGMDV-JFJDKTSWSA-N 583.811 4.321 10 10 KICE CCOc1cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 102882009 FEHVTWFWBBJSNR-IXODWGBUSA-N 507.528 4.488 10 10 KICE CCOC(=O)CCCCCN1C(=O)/C(=C/c2ccc(OCC(=O)N3CCCCC3)c(OC)c2)SC1=S 206719770 YVBNFNYKXTYUDB-XLNRJJMWSA-N 534.700 4.411 10 10 KICE CC(C)CNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1864015232 MXIZDUWXTYTSEI-GOSISDBHSA-N 536.938 4.482 10 10 KICE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC1)=C(N)O2 1865030107 CIIFNCIFQASCLP-QFIPXVFZSA-N 509.006 4.266 10 10 KICE Cc1cccc(N2C(=O)c3ccc(C(=O)N[C@@H](c4ccc(N(C)C)cc4)c4nccn4C)cc3C2=O)c1C 1865898580 PCLYQXDMTUBLEF-SANMLTNESA-N 507.594 4.423 10 10 KICE CC(=O)Oc1ccc(C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867360418 KDDNRMHCCSYDAA-IOWSJCHKSA-N 601.704 4.271 10 10 KICE CC[C@@H](NC(=O)c1cccc(Br)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867411653 AZCHIEXFQSSQSJ-DNQXCXABSA-N 515.496 4.367 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)Cc3ccc(C)c(Br)c3)CC2)cc1 1869028285 MRMIWNSBNDXHGZ-MHZLTWQESA-N 566.496 4.091 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)c4cncc(C)c4)n(-c4ccccc4Cl)n3)CC2)cc1 1869969405 MQHNTAVKZLXFHU-UHFFFAOYSA-N 503.994 4.212 10 10 KICE CCOc1cn(C[C@@H](c2ccccc2)N2CCCC2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870367614 ZVLDWWKEGIADSY-LJAQVGFWSA-N 516.686 4.415 10 10 KICE Cc1cc(C=C2C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)c(C)n1-c1ccc(C(=O)O)cc1 2294093832 VEEXLHHVQZQLSS-UHFFFAOYSA-N 508.328 4.221 10 10 KICE COc1cccc(OCCOc2c(OC)cc(C=C3C(=N)N4C(SC)=NSC4=NC3=O)cc2OC)c1 2297341088 SYYCTXRZYIPKLL-UHFFFAOYSA-N 528.612 4.110 10 10 KICE Cc1cc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 2313543618 VQINPMVEUVJDIN-UHFFFAOYSA-N 568.405 4.084 10 10 KICE C[C@H]1C[C@H](C)CN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(CCCCCC(=O)O)C2=O)C1 2314399967 GFJQYIQPHDLSDS-IRXDYDNUSA-N 514.673 4.023 10 10 KICE CCOc1cc(C=C2SC(=S)N([C@@H](CCC(N)=O)C(=O)O)C2=O)ccc1OCc1ccc(Cl)cc1 2314541632 PGFGMKMACXOTML-KRWDZBQOSA-N 535.043 4.238 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)C=Cc4ccc([N+](=O)[O-])cc4)n(-c4ccccc4)n3)CC2)cc1 2331394663 IERDASGSOKTJCT-UHFFFAOYSA-N 525.569 4.163 10 10 KICE CCOC(=O)c1c(NC(=O)COc2ccc(/C=C3\SC(=S)N(C)C3=O)cc2OC)sc(C)c1C 39793582 PXSFZJCIYRVXED-YVLHZVERSA-N 520.654 4.399 10 10 KICE NS(=O)(=O)c1ccc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)cc1 101969298 CYRXGCYOHXKKMQ-RGEXLXHISA-N 568.540 4.497 10 10 KICE O=C1/C(=C/c2nc3ccc(I)cc3c(=O)n2CCCO)c2ccccc2N1Cc1ccccc1 103600337 DNACIHJJLFMVFC-LTGZKZEYSA-N 563.395 4.471 10 10 KICE CCCC[C@H](CC)CN1C(=O)/C(=C/c2c(N3CCN(C(=O)OCC)CC3)nc3ccccn3c2=O)SC1=S 105444955 VWEQLHWJIPBVTF-AJNNJPABSA-N 557.742 4.391 10 10 KICE COc1ccc(CCNc2c(/C=C3\SC(=S)N(C4CCCC4)C3=O)c(C)c(C#N)c(=O)n2C)cc1OC 143271550 HKVAONHUBFWHSO-UCQKPKSFSA-N 538.695 4.381 10 10 KICE O=C1c2ccccc2C(=O)c2c(NC(=O)C3CCN(C(=O)c4cncc(Br)c4)CC3)cccc21 1860598347 BQHZEJHXSGOMFA-UHFFFAOYSA-N 518.367 4.110 10 10 KICE CCCCOCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccccc2Cl)[C@H]1c1ccc(O)c(O)c1 1864011723 KKLHGSZSYFIDLM-XMMPIXPASA-N 541.048 4.322 10 10 KICE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccnc1)=C(N)O2 1864013237 UAJQVGUEYYGFSQ-XMMPIXPASA-N 546.027 4.355 10 10 KICE CCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(F)cc1)=C(N)O2 1864018128 DANIYXHDLVIPKM-RUZDIDTESA-N 546.574 4.237 10 10 KICE CC[C@@](C)(NC(=O)CCC(=O)N1CCC[C@@H]1c1nc2ccccc2s1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868893855 HQQCIEAXTSMQGV-OOWIMERYSA-N 577.751 4.382 10 10 KICE CCCC[C@@H](NC(=O)c1cc(-c2ccc(F)c(F)c2)[nH]n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868934410 IKJLVSMOKFMLJY-HSZRJFAPSA-N 511.573 4.001 10 10 KICE COCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccc(C(=O)OC(C)C)cc2)C1=O 1873165966 YNAMEFOSTLEURW-UHFFFAOYSA-N 515.610 4.175 10 10 KICE COc1ccc(CCN2C(=O)C(NCCCn3ccnc3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873168287 PSGRPZRSCJZLPM-UHFFFAOYSA-N 523.637 4.302 10 10 KICE Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C=CC(=O)OCC(=O)c1cc(C)n(-c2ccccc2)c1C 2042441471 HPHHZBZRTUAJNJ-FQEVSTJZSA-N 516.019 4.051 10 10 KICE O=C(O)CN1C(=O)C(=Cc2ccc(OCC(=O)Nc3ccc(Br)cc3Cl)cc2)SC1=S 2294650117 XQKQOIABTHGZKY-UHFFFAOYSA-N 541.832 4.406 10 10 KICE CC[C@H](C)N1C(=O)C(=Cc2c(N3CCN(c4ccccc4F)CC3)nc3ccccn3c2=O)SC1=S 2296208210 WVCLWBKXJFQYKH-KRWDZBQOSA-N 523.659 4.160 10 10 KICE CCOc1cccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)c1 2296546025 IDEBTTYCSLNENK-FQEVSTJZSA-N 525.677 4.326 10 10 KICE C[C@@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C3SC(=S)N(CCS(=O)(=O)O)C3=O)c2)C1 2314479206 CUEYZYDKVHIIID-LJQANCHMSA-N 632.811 4.049 10 10 KICE O=C(CN1C(=O)/C(=C2/SC(=S)N(C[C@@H]3CCCO3)C2=O)c2ccccc21)Nc1ccccc1Cl 33573903 NBIMCWASKXKSCI-PXKHIBQASA-N 514.028 4.076 10 10 KICE C[C@H]1CN(c2ccc([N+](=O)[O-])c(COCc3cc(N4C[C@H](C)O[C@H](C)C4)ccc3[N+](=O)[O-])c2)C[C@H](C)O1 71791791 DLPGFKKHSFLVOS-LWYYNNOASA-N 514.579 4.447 10 10 KICE Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1/C=C1\C(=O)NC(=O)N(c2ccc(Br)c(C)c2C)C1=O 103811368 XFQQVUSDKCBQDK-YBFXNURJSA-N 538.358 4.443 10 10 KICE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)nc12 150421951 XOAMBCATTJYPKW-VUTHCHCSSA-N 707.838 4.257 10 10 KICE COc1ccc(CCN2C[C@H](O)C(C)(C)COCCC[C@@H]3CN(Cc4ccc(O)c(O)c4)CC[C@H]3CC2=O)cc1 1616168171 RSBRAZVGIJLTDE-MWSYKCOMSA-N 554.728 4.203 10 10 KICE NC1=C(C(=O)NCCCn2ccnc2)[C@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3ccccc3)c2O1 1864014470 VUWIHRLXOVLKPC-RUZDIDTESA-N 548.603 4.048 10 10 KICE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)NCC(C)C)=C(N)O3)cc1 1864022634 PQEJAOAJORCJLB-DEOSSOPVSA-N 526.593 4.426 10 10 KICE Cc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](C)C1)=C(N)O2 1865026647 QQZSODORVDTZQS-NPMXOYFQSA-N 509.006 4.258 10 10 KICE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4-c4ccc(Cl)cc4)[C@@H]3c3ccc[nH]3)CC2)cc1 1865599331 XAAXKBVLDDAEHF-VWLOTQADSA-N 545.043 4.214 10 10 KICE O=C(N[C@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(-c2cc3ccccc3[nH]2)cc1 1867064886 ZKDRCTOXCRWNEP-HHHXNRCGSA-N 529.552 4.340 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCN5CCc6c(Cl)cccc6[C@@H]5C4)nc(C)n3)CC2)cc1 1869302861 WXMNPSOKPCTQMS-SANMLTNESA-N 505.066 4.193 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](C)NS(=O)(=O)c3ccc(Oc4ccccc4Cl)cc3)CC2)cc1 1892083366 MUCLBRZMWNJQPB-IBGZPJMESA-N 530.046 4.157 10 10 KICE CCOCCCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3ccc(C)cc3C)c3ccccc32)SC1=S 2296713727 VHEKFFRSIAATBI-UHFFFAOYSA-N 509.653 4.287 10 10 KICE O=C1N=C(N2CCN(Cc3ccccc3)CC2)SC1=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 2314476352 NFIPCGYYDKSEIR-UHFFFAOYSA-N 654.818 4.348 10 10 KICE CCN1CCN(c2cc(C)c3cc(NC(=S)N4CCN(c5ccc(OC)cc5)CC4)ccc3n2)CC1 20153579 WXSQMVFUBACQNU-UHFFFAOYSA-N 504.704 4.213 10 10 KICE CCCOc1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1862063259 DLKIEMKHCUNFPG-MUUNZHRXSA-N 501.627 4.174 10 10 KICE CCCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(Cc3ccccc3)CC1)=C(N)O2 1865030234 GLCCNMAIZPDTTM-RUZDIDTESA-N 516.642 4.443 10 10 KICE CSCC[C@H](NC(=O)c1cc(C)n(-c2ccccc2)n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866840245 QHLZQSKMJMDIRC-DEOSSOPVSA-N 538.629 4.446 10 10 KICE C[C@@H](NC(=O)CCN(Cc1ccncc1)C(=O)OC(C)(C)C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867085096 IXSCJAOWXKZATN-LJQANCHMSA-N 556.619 4.128 10 10 KICE CN(C)c1ccc([C@H](CNC(=O)[C@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c2ccccc2)N2CCCCC2)cc1 1867832946 SZGUDRAPGDBVPF-WUFINQPMSA-N 574.638 4.384 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)Cc3nc(-c4cccc(C)c4)oc3C)CC2)cc1 1868634856 SLNORIKENQWMKK-VWLOTQADSA-N 536.698 4.096 10 10 KICE COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCN(C(C)C)c3ccccc32)n1 1869119750 LMJKRHALCWWCLT-UHFFFAOYSA-N 502.663 4.367 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCO[C@H](c5cccnc5)C4)nc(-c4cccc(OC)c4)n3)CC2)cc1 1869314713 RLKZPXPKNCDJQZ-NDEPHWFRSA-N 538.652 4.460 10 10 KICE CCN(CC)CCN1C(=O)C(NCCc2ccc(F)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873161999 AVMGKCJGCQRKLV-UHFFFAOYSA-N 502.634 4.487 10 10 KICE CC[C@H](C)OC(=O)c1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCNC(C)=O)C2=O)c1 1873422137 HZCAGKOOGJIVML-NRFANRHFSA-N 542.636 4.378 10 10 KICE NS(=O)(=O)c1ccc(NC(=O)CCN2C(=O)C(=Cc3cccc(Oc4ccccc4)c3)SC2=S)cc1 2314827577 HWQKHXDDQLSQGD-UHFFFAOYSA-N 539.660 4.356 10 10 KICE CC(C)S(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OC(=O)c4cccs4)c(Cl)c3)C(=N)N21 104563520 JRSDWIRRSLROJX-JGJJTGRPSA-N 523.017 4.021 10 10 KICE CCOC(=O)[C@H](C(=O)C(=O)Nc1c(C)cccc1C(C)C)c1nc2ccc3c(c2nc1O)C(=O)c1ccccc1C3=O 104722460 CQTWPQSVTJSNOR-QHCPKHFHSA-N 565.582 4.397 10 10 KICE CCCCOCCCNC(=O)C(=O)Nc1sc(C)c(-c2ccc(OCC(=O)N(CC)CC)cc2)c1C(=O)OC 1860763651 LJMUVWKUPNXNQX-UHFFFAOYSA-N 561.701 4.019 10 10 KICE COCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2Cl)[C@H]1c1ccc(O)c(O)c1 1864015949 GXQRJFPUIQLPDI-HSZRJFAPSA-N 547.011 4.120 10 10 KICE CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1c[nH]c3ccccc13)=C(N)O2 1864017010 CGZILZGEPAMELT-AREMUKBSSA-N 535.604 4.381 10 10 KICE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@@H](NC(=O)c3n[nH]c4c3CCCC4)c3ccccc3)cccc21 1866852994 HHCRFMHUWKQAHQ-VWLOTQADSA-N 504.546 4.174 10 10 KICE CCC[C@@H](NC(=O)c1ccc(OC)c(OC)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867311010 INJRIKUIFUAJRJ-JWQCQUIFSA-N 510.679 4.012 10 10 KICE CCCCCCOc1ccc(C(=O)N[C@@H](CO)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867567058 DQVYISUBLJHWQZ-VMPREFPWSA-N 538.733 4.146 10 10 KICE COCCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCN(C(=O)C3CCCCC3)CC2)n1 1868254216 HZLDHNYRRFOCOF-UHFFFAOYSA-N 553.663 4.413 10 10 KICE COc1ccc(N2CCN(c3nc(=NCc4ccc(C)cc4)[nH]c(=Nc4cccc(Cl)c4)[nH]3)CC2)cc1 1871648539 ROZSYDGASDBWFL-UHFFFAOYSA-N 516.049 4.368 10 10 KICE CCN(CC)c1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCN3CCOCC3)C2=O)cc1 1873425781 LHJUPXLEKMZGNY-UHFFFAOYSA-N 541.696 4.465 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)c3ccc(F)cc3)CC2)cc1 1874643120 SNXALQUKHVOHEA-MHZLTWQESA-N 500.574 4.006 10 10 KICE COc1ccc(N2CCN(CCC(=O)c3cccc(NC(=O)Cc4ccccc4[N+](=O)[O-])c3)CC2)cc1 1874722095 PBPOSJZRTINZFZ-UHFFFAOYSA-N 502.571 4.180 10 10 KICE CC(C)(C)OC(=O)NCCC(CCNC(=O)OC(C)(C)C)NCc1ccc(Br)cc1O 2025365370 IFIWVSAWVXACIL-UHFFFAOYSA-N 502.450 4.443 10 10 KICE Cc1ccc2nc(NC3CC(C)(C)NC(C)(C)C3)c(C=C3SC(=S)N(C[C@H]4CCCO4)C3=O)c(=O)n2c1 2040466508 GIFWCKIBRKXJAS-GOSISDBHSA-N 541.743 4.104 10 10 KICE O=C(Cn1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c2ccccc21)Nc1ccc(F)cc1 2294095515 UTOGWEIWBLGMMI-UHFFFAOYSA-N 500.461 4.225 10 10 KICE Cc1ccc2nc(NCc3ccc4c(c3)OCO4)c(C=C3SC(=S)N(Cc4ccco4)C3=O)c(=O)n2c1 2296542712 CDOZWOKBJKFWDG-UHFFFAOYSA-N 532.603 4.338 10 10 KICE CCOC(=O)c1ccc(NC(=O)[C@@H](C)N2C(=O)/C(=C/c3ccc(O)c(OCC)c3)SC2=S)cc1 15047069 HLVMDPRCFUFNQW-KELUXRKGSA-N 500.598 4.196 10 10 KICE COc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=S)N=C2O)cc(I)c1OC 33296101 FGFNHERSUAKGJE-ZSOIEALJSA-N 508.337 4.288 10 10 KICE COc1ccc(CCN2C(=O)/C(=C/c3nc(C#N)c(N4CCN(Cc5ccccc5)CC4)o3)SC2=S)cc1 213217341 VWZWAQDNHBASCU-ULJHMMPZSA-N 545.690 4.321 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4cccc(C(=O)O)c4)c3C)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 252667698 DGKVVWYUCXUTNL-LJAQVGFWSA-N 615.708 4.311 10 10 KICE [N-]=[N+]=NCCc1ccc(O)c(/N=N/c2ccc(C(=O)NCCOCCOCCOCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]34)cc2)c1 643961301 VQJUOWXTLWKWGJ-NOLYYEHKSA-N 711.846 4.282 10 10 KICE CCOC(=O)c1c(NC(=O)C(=O)NCCc2nc3ccc(F)cc3[nH]2)sc(C)c1-c1ccc(F)cc1 1860766554 DSPAKGZJWZVLNL-UHFFFAOYSA-N 512.538 4.352 10 10 KICE COc1ccc(N2CCN(C(=O)c3cc(-c4ccc5c(c4)OCO5)n(Cc4cccc(F)c4)n3)CC2)cc1 1862366911 UUWQYOQLNYLSFH-UHFFFAOYSA-N 514.557 4.437 10 10 KICE NC1=C(C(=O)NC2CCCC2)[C@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3ccccn3)c2O1 1864016698 VPSUFQAQKFLUQJ-HSZRJFAPSA-N 509.566 4.099 10 10 KICE CCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1F)=C(N)O2 1864017740 TYXLBTDAXMXODX-DEOSSOPVSA-N 530.556 4.005 10 10 KICE CCN(CCO)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1865032172 XFVFHFPAYOFUEM-HSZRJFAPSA-N 547.011 4.139 10 10 KICE Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)N2CCCCC2)[C@H]3c2ccc(O)c(O)c2)cc1 1865033862 JBRSNDRTPXQJQT-FQEVSTJZSA-N 528.531 4.377 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCN(c5ccccc5F)CC4)nc(-c4cccnc4)n3)CC2)cc1 1868004154 LWZOFXJQTURILR-UHFFFAOYSA-N 525.632 4.340 10 10 KICE COCCN1C(=O)C(Nc2ccc(CC(=O)OC(C)C)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873420186 ITNSCHMFVVXIBS-UHFFFAOYSA-N 515.610 4.427 10 10 KICE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)NCCc3ccccc3)n4CC(C)C)CC2)cc1 1873575931 AUUNUBFBSKBXAE-UHFFFAOYSA-N 512.658 4.395 10 10 KICE COc1cc(C(=O)Oc2cc3c4c(c2)[C@H](C)CC(C)(C)N4C(=O)/C3=C2\SC(=S)NC2=O)cc(OC)c1OC 2185889640 YPTKJHYSUWUGRH-JOKLBXFLSA-N 554.646 4.423 10 10 KICE Cc1ccc2nc(N3C[C@H](C)O[C@H](C)C3)c(C=C3SC(=S)N(Cc4ccccc4)C3=O)c(=O)n2c1 2314400634 OQSCBSGHMVCUER-HDICACEKSA-N 506.653 4.018 10 10 KICE CCCn1c(N2CCC[C@H](C)C2)c(/C=C2\SC(=S)N(CCCOCC)C2=O)c(C)c(C#N)c1=O 35521191 HOPRAFOQDTXSGW-XESZTULISA-N 502.706 4.303 10 10 KICE CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(OCCOc4ccc(Cl)c(C)c4)cc3)C(=O)N=C2S1 101398711 JIVNOIPHODNEKP-RBRHTRMMSA-N 533.031 4.118 10 10 KICE CCCOc1ccccc1C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862055741 NLULNSRHGLFMBJ-HHHXNRCGSA-N 519.617 4.313 10 10 KICE Cc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)c1ccc3c(c1)CCCC3)=C(N)O2 1864009484 IGJVYTYVDNVCFU-CBZJRKILSA-N 537.620 4.438 10 10 KICE CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(CC)CC)=C(N)O2 1864011609 WMPBTVXLYQBASY-QHCPKHFHSA-N 540.064 4.042 10 10 KICE CCCc1nn(CC(C)C)c2c1[C@@H](c1cccc(O)c1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865045522 LFALXCMIGCFNMY-AREMUKBSSA-N 545.684 4.249 10 10 KICE CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccco1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865307808 LSWIDUBMSYQZHF-MHZLTWQESA-N 539.636 4.470 10 10 KICE CCCc1nn(CC)c2c1[C@H](c1ccc(F)cc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865517982 NYCRCGFIPBZPFO-DEOSSOPVSA-N 519.621 4.047 10 10 KICE CCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N([C@@H](Cc1ccccc1)C(=O)O)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867629990 QWWWMGQMEYJANH-XFCANUNOSA-N 667.807 4.286 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCO[C@@H](c5ccc(Br)cc5)C4)nc(C)n3)CC2)cc1 1869294451 JJNXTYWEVWHNNW-XMMPIXPASA-N 524.463 4.461 10 10 KICE CCCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCCCOC(C)C)ncnc21 1875211772 MTHFWKMVJHEURW-UHFFFAOYSA-N 508.667 4.429 10 10 KICE CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 2080879985 GTTIFKLJRZJRCP-QFIPXVFZSA-N 543.661 4.477 10 10 KICE COc1cc(C=C2SC(=S)NC2=O)cc(I)c1OCCOc1ccccc1 2293579801 PTAUVVGHDWSHDF-UHFFFAOYSA-N 513.378 4.246 10 10 KICE COc1cc(C=C2C(=O)N(c3cccc(C(F)(F)F)c3)N=C2C)cc(Br)c1OCC(N)=O 2297456280 CHJIPEQGSPNEFJ-UHFFFAOYSA-N 512.282 4.147 10 10 KICE CCCOC(=O)CCCN1C(=O)/C(=C\c2ccc(OCC(=O)N(CC)CC)c(OCC)c2)SC1=S 40939052 HADBCZBNJGYITB-LTGZKZEYSA-N 522.689 4.267 10 10 KICE O=C(O)CN1C(=O)/C(=C/c2cc(Br)ccc2OCC(=O)Nc2ccc(Cl)cc2)SC1=S 101964693 WSLAKLMKOAVNSV-PXNMLYILSA-N 541.832 4.406 10 10 KICE COc1ccc(N2CCN(c3cc(C(=O)O)c4cc(NS(=O)(=O)c5ccccc5C)ccc4n3)CC2)cc1 102314608 PLHBNYLCRKBSAR-UHFFFAOYSA-N 532.622 4.377 10 10 KICE CN1C(=O)C(=Cc2ccc(Sc3nc4ccc(N5C(=O)[C@H]6[C@H]7C=C[C@@H](C7)[C@H]6C5=O)cc4s3)c([N+](=O)[O-])c2)C(=O)N(C)C1=O 103806132 ZAUVWUILAHZWOB-NONVMONDSA-N 615.649 4.101 10 10 KICE Cc1c(N2C(=O)/C(=C/c3c(N4CCN(Cc5ccccc5)CC4)nc4ccccn4c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C 150591111 MMJZMNSAZPBTID-MEFGMAGPSA-N 649.802 4.220 10 10 KICE CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(N(CC)CC)cc3O)c(=O)n2[C@H]1c1ccc(OC)cc1 1084113987 NRVUSCUSXMLANP-PMERELPUSA-N 583.710 4.496 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](CSCc3ccccc3)NC(=O)c3cccc(OC)c3)CC2)cc1 1862047190 OQQZLAPCOHGXND-HHHXNRCGSA-N 519.667 4.084 10 10 KICE CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC13CC4CC(CC(C4)C1)C3)=C(N)O2 1864014527 XJJRIUTWKMCYKV-DPYMPBHMSA-N 506.647 4.436 10 10 KICE CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(C)c1)=C(N)O2 1864018455 LIZCEDRVRWCDMB-VWLOTQADSA-N 528.584 4.364 10 10 KICE Cn1nc(C(=O)NC(C)(C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1-c1cc(F)ccc1F 1867100769 SIJFXCLNAZVYGO-UHFFFAOYSA-N 528.515 4.288 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](C)Cc3ccc(F)cc3)CC2)cc1 1868762771 FRMZPWRVSSDURA-RBISFHTESA-N 503.618 4.089 10 10 KICE CCCCn1c(C(=O)NCc2ccc(O)cc2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873581765 ALMRAYQWAOSACT-UHFFFAOYSA-N 514.630 4.202 10 10 KICE CCOc1cccc(-c2nn(-c3ccccc3)cc2C=C2SC(N3CCC(C(N)=O)CC3)=NC2=O)c1 2296545914 ATQCNMHMDAQGAW-UHFFFAOYSA-N 501.612 4.106 10 10 KICE COc1ccc(Cl)cc1-n1c(C)cc(C=C2C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)c1C 2296636703 NSKYMGLEIFZRNX-UHFFFAOYSA-N 525.034 4.388 10 10 KICE O=C(Cn1cc(C=C2C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)c2ccccc21)Nc1ccc(Cl)cc1 2297556226 SVDOTJQHOWESFX-UHFFFAOYSA-N 559.003 4.463 10 10 KICE C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)CCN2C(=O)C(=Cc3ccccc3)SC2=S)[C@H]2CCS(=O)(=O)C2)o1 2314828802 LAIABXAHIRYFJZ-LMNJBCLMSA-N 544.720 4.210 10 10 KICE CCOCCOC(=O)[C@H](CC)n1cc(C=C2SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 2326945403 LOQMWRXWNHYFRN-SFHVURJKSA-N 504.630 4.238 10 10 KICE O=C(CCCN1C(=O)/C(=C/c2ccccc2OC(F)F)SC1=S)N(CCO)Cc1ccccc1 16922755 UOHMGXLJOVZPRL-HKWRFOASSA-N 506.596 4.291 10 10 KICE COc1cccc(C2=NN(C(=O)CN3C(=O)C(=O)c4cc(Cl)ccc43)[C@H](c3ccc(N(C)C)cc3)C2)c1 72413213 BZTSNYHAWWKPRS-VWLOTQADSA-N 516.985 4.322 10 10 KICE CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3CCC(C(N)=O)CC3)=NC2=O)c1 97497886 ZBNOBQMESXSSPE-JJIBRWJFSA-N 515.639 4.496 10 10 KICE COc1cc(S(=O)(=O)Nc2ccccc2C)ccc1N/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 101747041 JZOHETBJVXEMLL-XMHGGMMESA-N 540.985 4.037 10 10 KICE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCCc2cccs2)[C@@H]3c2ccc(O)c(O)c2)cc1 1864009066 YQHVUODXRHLTLL-HSZRJFAPSA-N 502.596 4.015 10 10 KICE CCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@@H]1c1ccc(O)c(O)c1 1864014552 YCSOFKBODLYDRM-NRFANRHFSA-N 502.958 4.435 10 10 KICE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NCc1ccc(OC)cc1)[C@H]2c1ccc(O)c(O)c1 1864017350 KGZXTYNOLXKXJM-DEOSSOPVSA-N 542.592 4.009 10 10 KICE CC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(CCC(C)C)C2=O)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866619308 BMGZQHLFYVIVTF-DEOSSOPVSA-N 551.599 4.251 10 10 KICE CN(C)c1ccc([C@@H](CNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)c2ccc([N+](=O)[O-])cc2)N2CCCCC2)cc1 1867357598 KXSHPRFGXIXJEB-FQLXRVMXSA-N 559.667 4.051 10 10 KICE CC[C@@](C)(NC(=O)c1ccc2c(c1)C(=O)N(C(C)(C)C)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867513670 TVYNNMSSQZSWMX-VCTRWQRLSA-N 575.754 4.389 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)C[C@H](c3cccc(Br)c3)c3nccs3)CC2)cc1 1868893770 IXLXOYWGYYKBIH-FDDCHVKYSA-N 557.514 4.290 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)CCc3csc(-c4ccccn4)n3)c3ccccc3)CC2)cc1 1868908006 BNKNHVXLIYNSLV-NDEPHWFRSA-N 541.677 4.353 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)c3cc(-c4cccc(OC)c4)on3)CC2)cc1 1868959569 KBNGTBLWJAFEHU-MUUNZHRXSA-N 540.620 4.049 10 10 KICE COc1ccc(N2CCN(c3nc(=NC(=O)c4ccc(C(F)(F)F)cc4)n(C(C)(C)C)[nH]3)CC2)cc1 1869970984 WGTNGNRLAYDTRC-UHFFFAOYSA-N 502.541 4.061 10 10 KICE C[C@@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C3SC(=S)NC3=O)c2)C1 2314508139 QPEQYPWGLISCHI-QGZVFWFLSA-N 524.693 4.449 10 10 KICE COc1ccc(N2CCN([C@H](CNS(=O)(=O)c3ccc(C(F)(F)F)cc3)c3ccco3)CC2)cc1 38619448 TYPWSLJTYDRMGH-JOCHJYFZSA-N 509.550 4.149 10 10 KICE COc1cccc([C@@H]2N[C@](Cc3c[nH]c4ccccc34)(C(=O)O)[C@@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)[C@H]23)c1O 104879978 QIPGJHDVDQKEKK-UITIVDIESA-N 579.531 4.417 10 10 KICE Cc1c(/C=C2/SC(=S)N(CCC(C)C)C2=O)c(N2CCN(Cc3ccccc3)CC2)n(C)c(=O)c1C#N 105468724 NYDGSDRFYQPHGC-LFVJCYFKSA-N 535.739 4.135 10 10 KICE COc1ccc(CN2C(=O)/C(=C/c3c(C)c(C#N)c(=O)n(C)c3NCc3ccc4c(c3)OCO4)SC2=S)cc1 143279944 UCTBSLNSEBUDBS-MYKKPKGFSA-N 560.657 4.316 10 10 KICE COC(=O)c1cc(C(=O)OC)cc(N2C(=O)C(O)=C(c3ccc(OC)cc3)[C@@H]2c2ccc(N(C)C)cc2)c1 526286107 HISCEZWKFKRFSV-VWLOTQADSA-N 516.550 4.392 10 10 KICE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1F)=C(N)O2 1864011152 QTCCMQFLLOZMKH-RUZDIDTESA-N 544.583 4.395 10 10 KICE CCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCC1)=C(N)O2 1864018108 CRGNYSFKQKDKNL-HSZRJFAPSA-N 506.578 4.188 10 10 KICE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOc3ccccc31)=C(N)O2 1865026487 OFOLOTCDRRUDLZ-VWLOTQADSA-N 544.995 4.425 10 10 KICE CCCC[C@H](NC(=O)c1cc(-c2ccco2)n(C)n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867245767 WFFUOEBQCQBANR-NRFANRHFSA-N 510.550 4.383 10 10 KICE CC[C@@](C)(NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867846662 AGAFKKPGIGPFNF-LEAFIULHSA-N 554.648 4.119 10 10 KICE CCOC(=O)[C@@H]1CCCN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(-c3cccc(OC)c3)n2)C1 1867994425 UOQWLDMHZOSERC-HSZRJFAPSA-N 531.657 4.267 10 10 KICE CC[C@H](C)Nc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O 2295979466 ZLSSCWQRMINVPZ-HNNXBMFYSA-N 508.625 4.343 10 10 KICE COc1ccccc1NC(=O)COc1ccc(C=C2SC(=S)N(N3C(=O)c4ccccc4C3=O)C2=O)cc1 2297576497 CTSOILWNQPKKQI-UHFFFAOYSA-N 545.598 4.125 10 10 KICE COc1ccc(CCN2C(=O)C(=Cc3c(N4CCN(Cc5ccc6c(c5)OCO6)CC4)nc4ccccn4c3=O)SC2=S)cc1 2314399264 DUKXMFFXUPJUOB-UHFFFAOYSA-N 641.775 4.198 10 10 KICE CC(C)(C)c1ccc(C=C2SC(=S)N(CCCC(=O)Nc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 2314831250 GPXSOOWUZAGUAF-UHFFFAOYSA-N 517.698 4.252 10 10 KICE CCOC(=O)c1ccc2c(c1)N(CCCS(=O)(=O)O)/C(=C/C=C/c1n(CC)c3ccc(C(=O)OCC)cc3[n+]1CCOCCOC)N2CC 97955879 JLRCWOUHZFWHHQ-UHFFFAOYSA-O 699.847 4.444 10 10 KICE CCOc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC)cc(Cl)c1OCc1ccccc1 101395244 KYOGCROJFIEMSR-JTPDXPAISA-N 533.031 4.329 10 10 KICE COc1ccc(CCNc2c(/C=C3\SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(C)c(C#N)c(=O)n2C)cc1OC 163504979 FREQLMVXURBTQE-PKAZHMFMSA-N 656.790 4.441 10 10 KICE O=S(=O)(O)c1ccc(/N=N/c2ccc(/N=N\c3c(O)c(S(=O)(=O)O)cc4cc(S(=O)(=O)O)ccc34)c(S(=O)(=O)O)c2)cc1 169289740 KMNTUASVUKNVJS-RIIXPHEHSA-N 672.653 4.363 10 10 KICE COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c1C 1084344558 PUGXYGIITZHLQG-ODLFYWEKSA-N 539.342 4.440 10 10 KICE CCCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC(C)C)=C(N)O2 1864012968 NDHKPNVTBQAHKW-HSZRJFAPSA-N 541.048 4.184 10 10 KICE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4Cc4ccccc4)[C@H]3c3cccs3)CC2)cc1 1865320192 GLWSAVLXHVRJDW-AREMUKBSSA-N 541.677 4.353 10 10 KICE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@H](Cc3ccc(F)cc3)NC(=O)[C@H]3CC(=O)N(c4ccccc4)C3)cccc21 1866863516 XEDSVBNNRYHFTG-KMRXNPHXSA-N 575.596 4.320 10 10 KICE CC(=O)Oc1cccc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867295519 WCDQHHLJCIIDJQ-IOWSJCHKSA-N 572.706 4.068 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCN[C@H](c5cn(C)c6ccccc56)C4=O)nc(-c4cccnc4)n3)CC2)cc1 1869374626 KXOSCPFOYDVAED-WJOKGBTCSA-N 574.689 4.043 10 10 KICE COCCCN=c1nc(Nc2ccc(C(C)(C)C)cc2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871554348 IFZCKKAVWCQCJW-UHFFFAOYSA-N 505.667 4.118 10 10 KICE CCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NC[C@@H](O)c3ccc(Cl)cc3)ncnc21 1875202962 CURYODRDQPBNCJ-RUZDIDTESA-N 535.048 4.221 10 10 KICE CCCCNc1nc2ccc(C)cn2c(=O)c1C=C1SC(=S)N(c2c(C)n(C)n(-c3ccccc3)c2=O)C1=O 2314414167 RGWNUCKDGCNGFR-UHFFFAOYSA-N 560.705 4.419 10 10 KICE CCN1C(=O)C(=C2SC(=S)N([C@H](C(=O)O)c3ccccc3)C2=O)c2cc(Br)ccc21 2314768723 MFKFSCSZWJJEBT-INIZCTEOSA-N 503.399 4.213 10 10 KICE Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C2\SC(=S)N([C@@H](CCC(=O)O)C(=O)O)C2=O)cc1 101965255 AYGZQUMAIWNLLO-BEWREHSGSA-N 593.477 4.294 10 10 KICE CCSC1=NSC2=NC(=O)/C(=C/c3cc(OC)c(OCCOc4cccc(OC)c4)c(OC)c3)C(=N)N12 104485343 IGLHWGCXNVIMGY-MJSBPXROSA-N 542.639 4.500 10 10 KICE CC(C)c1nc2c(Cl)cc(C(F)(F)F)cn2c1/C=C1/SC(=S)N([C@@H](C(=O)O)[C@H](C)O)C1=O 1858596071 OEYVVCSBQIKAEQ-OYYGWFIXSA-N 507.943 4.165 10 10 KICE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1cccc(C(F)(F)F)c1)[C@H]2c1ccc(O)c(O)c1 1864022082 KFCQZKXPOREUJR-INIZCTEOSA-N 542.436 4.363 10 10 KICE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)N2CCCC[C@H]2C)[C@H]3c2ccc(O)c(O)c2)cc1 1865031988 SNGVKONNKXYQQU-VLIAUNLRSA-N 544.530 4.407 10 10 KICE CN(C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccn2)[C@H]1c1ccc(O)c(O)c1)C1CCCCC1 1865034111 PISONOBGCTZAAQ-LJQANCHMSA-N 529.519 4.183 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)C[C@@H](C)c3ccc(Cl)cc3)CC2)cc1 1868684713 XLCBJNGMEHLEQY-DVECYGJZSA-N 504.096 4.429 10 10 KICE CCCC[C@H](NC(=O)Cc1ccc(C)c(Br)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869028380 OMTUKLMSUAUXRH-DEOSSOPVSA-N 516.480 4.332 10 10 KICE COc1ccc(N2CCN(Cc3cc(=O)c(OCCOC(C)C)cn3Cc3cccc(C)c3)CC2)cc1 1870540568 DAIRIVDVLJBEEK-UHFFFAOYSA-N 505.659 4.340 10 10 KICE COc1ccc(CCN2C(=O)C(=Cc3c(NC[C@@H]4CCCO4)nc4c(C)cccn4c3=O)SC2=S)cc1OC 2314413803 IHEONEFCUFKFHC-IBGZPJMESA-N 566.705 4.055 10 10 KICE Cc1c(N2C(=O)/C(=C\c3c(N4CCCCCC4)nc4ccccn4c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C 100850926 UAGAYYVNOTZBGY-RELWKKBWSA-N 572.716 4.279 10 10 KICE COc1ccccc1OCCOc1c(Br)cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc1OC 101430598 JXNJYIAYZSARNO-OHGJXKEGSA-N 528.359 4.374 10 10 KICE COc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1I 103858552 GFRWIOZDGXXUMI-SDQBBNPISA-N 606.008 4.491 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)cc3O)c(=O)n2[C@@H]1c1ccc(Br)cc1 252671576 NPYFYZYMBUDPHU-XMMPIXPASA-N 570.509 4.113 10 10 KICE CCCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(OC)cc2)[C@@H]1c1ccc(O)c(O)c1 1864015242 NDIZFVOGSJLTRN-IBGZPJMESA-N 532.519 4.312 10 10 KICE CC(C)CNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2Cl)[C@H]1c1ccc(O)c(O)c1 1864015447 RIZCINLCHLRSGC-QGZVFWFLSA-N 522.911 4.423 10 10 KICE Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)NCc2ccccn2)[C@@H]3c2ccc(O)c(O)c2)cc1 1864015805 VXNKIBCXVBURIL-HXUWFJFHSA-N 537.498 4.017 10 10 KICE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4C)[C@H]3c3ccc(C(C)(C)C)cc3)CC2)cc1 1865123716 FRRALBPLGGHWPL-RUZDIDTESA-N 515.658 4.078 10 10 KICE C[C@@H](NC(=O)c1ccccc1C(=O)c1ccccc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867543626 YKLUGCVSPFHSDN-RNWIMVQKSA-N 526.681 4.445 10 10 KICE CCCCCOC(=O)COc1cn(CCC(C)C)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870422801 ZRRPDTOKLLTTCE-UHFFFAOYSA-N 513.679 4.337 10 10 KICE COc1ccc(CN2C(=O)C(NCCCCN(C)C)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1OC 1873167739 VQLOLCYZSSFJOX-UHFFFAOYSA-N 530.669 4.323 10 10 KICE CC[C@H](C)OC(=O)c1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCNC(C)=O)C2=O)cc1 1873422157 IXZNEHLMWONICR-NRFANRHFSA-N 542.636 4.378 10 10 KICE COc1ccc(N2CCN(CCC(=O)c3cccc(OC(=O)Cc4ccc(OC)cc4OC)c3)CC2)cc1 1874731453 MHSULEKFKIXLKD-UHFFFAOYSA-N 518.610 4.256 10 10 KICE [N-]=[N+]=N[C@@H]1CCC[C@H]1NC(=O)c1cc(I)cc(I)c1I 2234170645 FZIXYQXEZPAEOX-NXEZZACHSA-N 607.959 4.462 10 10 KICE CCN1C(=O)C(=C2SC(=S)N([C@H](C(=O)OC)c3ccccc3)C2=O)c2cc(Br)ccc21 2314768333 KOIAMTLKPLVMAP-KRWDZBQOSA-N 517.426 4.301 10 10 KICE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C[C@@H]4CCCO4)C3=O)c(NCCc3ccccc3)nc12 33417169 JSUMVAKBGNABHF-QTKYHAHDSA-N 506.653 4.038 10 10 KICE Cc1ccc(CN2C(=O)/C(=C\c3c(NC[C@H]4CCCO4)nc4ccc(C)cn4c3=O)SC2=S)cc1 33781436 JRTAISSMEZCNOP-MRUVXERFSA-N 506.653 4.304 10 10 KICE COc1ccc(N2CCN([C@@H](CNS(=O)(=O)c3ccc(OC(F)(F)F)cc3)c3ccco3)CC2)cc1 38637540 GTRNIYXGNNCLTB-QFIPXVFZSA-N 525.549 4.029 10 10 KICE O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1OCCOc1ccc(Br)cc1 100475734 YQOJKTFMYNMUKF-QNGOZBTKSA-N 524.327 4.277 10 10 KICE C[C@@H]1C[C@@H](C)CN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)C1 100886104 FTMMPSOLINHEJK-HIAWKFHPSA-N 534.663 4.307 10 10 KICE C[C@@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3/SC(=S)N(CCS(=O)(=O)O)C3=O)c2)C1 150658288 CUEYZYDKVHIIID-GXDFBKAQSA-N 632.811 4.049 10 10 KICE CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 1084022221 IHFNYTWECITENW-OCKHKDLRSA-N 581.940 4.290 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)c3ccc(-n4cccc4)cc3)CC2)cc1 1862265098 DZIHSNRHDKKXIL-GDLZYMKVSA-N 508.622 4.176 10 10 KICE Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1c[nH]c3ccccc13)=C(N)O2 1864006945 BEDTVBMMPQVMIS-SANMLTNESA-N 521.577 4.127 10 10 KICE Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cn(C)c3ccccc13)=C(N)O2 1864008993 WOVOHCNENJCTNM-NDEPHWFRSA-N 549.631 4.196 10 10 KICE Cc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCCC1)=C(N)O2 1865027785 KZPKPIJSJBHANA-QFIPXVFZSA-N 539.430 4.452 10 10 KICE CCc1nn(CC)c2c1[C@@H](c1ccc(Cl)cc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865093854 XQWBWKJNEAQTCV-HSZRJFAPSA-N 522.049 4.171 10 10 KICE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(-c5ccccc5)nn4C)[C@H]3c3cccs3)CC2)cc1 1865326002 JHEKHUCJERDBDG-HSZRJFAPSA-N 527.650 4.201 10 10 KICE CN(C)c1ccc([C@H](CNC(=O)CCCCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)N2CCCCC2)cc1 1866024770 AQUCTIZXAVOLAI-VWLOTQADSA-N 535.645 4.161 10 10 KICE CN(C)c1ccc([C@H](CNC(=O)c2c[nH]c3c(F)cc(I)cc3c2=O)N2CCCCC2)cc1 1866446733 KXNXBQUDRJLUOW-QFIPXVFZSA-N 562.427 4.295 10 10 KICE CN(C)c1ccc([C@@H](CNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccn2)C3=O)N2CCCCC2)cc1 1867467002 SXPDNLFZJXTTOF-VSJLXWSYSA-N 674.802 4.334 10 10 KICE CCc1cccc(CC)c1N1C(=O)c2ccc(C(=O)N[C@@H](CO)C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O 1867593481 SYWRKKRNFPFANV-ACHIHNKUSA-N 639.797 4.112 10 10 KICE CC(=O)Oc1ccc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867718615 NFXFYCPHUDJLJS-CONSDPRKSA-N 572.706 4.068 10 10 KICE CCC[C@@H](NC(=O)Cc1nc(-c2ccc(Cl)cc2)oc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868651266 PAYAUBFIBHCQRA-XMMPIXPASA-N 525.049 4.488 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCC3CCC(C(=O)OC(C)C)CC3)C(=O)N(CCc3cnc[nH]3)C2=O)cc1 1873170767 PORZLRZVKWTUBN-UHFFFAOYSA-N 557.695 4.487 10 10 KICE O=C(CNC(=O)c1ccc2nc(-n3cccc3)sc2c1)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874017442 QCCUDOGRSUKGPP-UHFFFAOYSA-N 506.543 4.231 10 10 KICE COC(=O)c1ccc(NCN2C(=O)C(=Cc3ccc(I)cc3)SC2=S)cc1 2297450813 NLUDGBBWTFYJBP-UHFFFAOYSA-N 510.378 4.349 10 10 KICE C[C@@H]1CCCN(C2=NC(=O)C(=Cc3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N(C)C)c3)S2)C1 2297470374 HYKQMXKPAACTDH-LJQANCHMSA-N 535.695 4.492 10 10 KICE O=C(O)COc1c(Br)cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1Br 2313559540 DADJDEJNFAALKL-UHFFFAOYSA-N 603.017 4.104 10 10 KICE CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)ccc1OCCC(=O)O 16919755 DJDLQFRQJQQXMQ-WOJGMQOQSA-N 506.989 4.138 10 10 KICE CCCC[C@@H](CC)CN1C(=O)/C(=C\c2c(N3CCC(C(N)=O)CC3)nc3c(C)cccn3c2=O)SC1=S 100850326 YTJGZRMMCIIVEV-ISPGYRLHSA-N 541.743 4.122 10 10 KICE Cc1ccc2nc(Sc3ccc(Cl)cc3)c(/C=C3/SC(=S)N([C@@H]4CCS(=O)(=O)C4)C3=O)c(=O)n2c1 100850906 VFCYZOZGTLQFKV-BFERYNQYSA-N 564.135 4.196 10 10 KICE C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3\SC(N4C[C@H](C)O[C@H](C)C4)=NC3=O)c2)C[C@H](C)O1 256025213 RUSYVENEAPWPLL-GTRHJEOASA-N 621.785 4.417 10 10 KICE [N-]=[N+]=NCCc1ccc(O)c(/N=N/c2ccc(C(=O)NCCOCCOCCOCCNC(=O)CCCC[C@@H]3SC[C@H]4NC(=O)N[C@@H]43)cc2)c1 643961300 VQJUOWXTLWKWGJ-HTDQJINQSA-N 711.846 4.282 10 10 KICE COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)cc(I)c3OC(C)C)C2=O)cc1 1084477842 LLJCZFSQLYFHSA-CXUHLZMHSA-N 632.192 4.358 10 10 KICE NC1=C(C(=O)NCc2ccncc2)[C@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3ccccc3)c2O1 1864014210 PKWMSKIABYHPMS-RUZDIDTESA-N 531.572 4.357 10 10 KICE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCc1nc3ccccc3[nH]1)=C(N)O2 1864014436 VDZVUGOAOZWVQH-RUZDIDTESA-N 544.656 4.223 10 10 KICE CC[C@@H](C)NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1 1864015287 OAEPGIIVPPEBHT-FZKQIMNGSA-N 502.493 4.220 10 10 KICE CCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2-c2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1 1864021672 FHILFFMBXLAXSB-HSZRJFAPSA-N 512.566 4.098 10 10 KICE Cc1cccc(CNC(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3CC(C)C)[C@@H]2c2ccc(O)c(O)c2)c1 1864023474 ZIYYMCIBOZJAMF-IBGZPJMESA-N 516.520 4.289 10 10 KICE CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C)C1)=C(N)O2 1865029072 FRXZRWBAYKQFJS-HOYKHHGWSA-N 502.615 4.498 10 10 KICE CCN(CCc1ccncc1)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2CC(C)C)[C@@H]1c1ccc(O)c(O)c1 1865033628 FJXYKQHYNIPGLI-FQEVSTJZSA-N 545.562 4.150 10 10 KICE Cc1cc(C)n(-c2ccccc2)c(=O)c1C(=O)NC(C)(C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867217932 YUWSJDOFANGQQV-UHFFFAOYSA-N 533.584 4.377 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCc5nc[nH]c5[C@H]4C(C)C)nc(-c4cccnc4)n3)CC2)cc1 1869375458 WRSDYHRZDPRJST-MUUNZHRXSA-N 510.646 4.357 10 10 KICE COc1ccc(OCCOc2cn(CC(C)C)c(CN3CCN(c4ccc(OC)cc4)CC3)cc2=O)cc1 1870457276 GZWIGLZFFHVTEU-UHFFFAOYSA-N 521.658 4.302 10 10 KICE COc1ccccc1Oc1cc(N)c2c(c1N)C(=O)c1c(N)c(Oc3ccccc3OC)cc(N)c1C2=O 206677458 AWLUCCWKNUBYON-UHFFFAOYSA-N 512.522 4.393 10 10 KICE CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(sc(=Cc3ccc(N(CC)CC)cc3)c2=O)=N1 1084475060 BXZRAUMFLSGPQQ-NDEPHWFRSA-N 563.720 4.442 10 10 KICE CCCC[C@@H](NC(=O)/C=C/c1ccc(Br)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861949041 IZUPEIXAQXFWAI-CSVHPWFYSA-N 514.464 4.495 10 10 KICE COc1cccc(OC)c1C(=O)N[C@H](Cc1ccccc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867369114 QYGWCPBCFUXOBP-VSGBNLITSA-N 558.723 4.454 10 10 KICE COCCCN1C(=O)c2ccc(C(=O)N[C@H](Cc3ccccc3)C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O 1867517458 DVJDINQDCHTQAF-SAIUNTKASA-N 639.797 4.070 10 10 KICE COc1ccc(OCCNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCOC(C)C)C2=O)cc1 1873165433 OHAUPFPPJXHEBY-UHFFFAOYSA-N 517.626 4.276 10 10 KICE COc1ccc([N+](=O)[O-])cc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCN(C)C)C1=O 1873421373 UNRYCPYJAKAPBP-UHFFFAOYSA-N 517.586 4.155 10 10 KICE CCc1cc(C)cc(OCCOc2ccc(C=C3C(=N)N4N=C(S(=O)(=O)CC)SC4=NC3=O)cc2)c1 2297346203 LXJDCHIJHBAPAW-UHFFFAOYSA-N 526.640 4.027 10 10 KICE COc1ccc(N2CCN(C(=O)C3CCN(S(=O)(=O)c4c(C)noc4C=Cc4ccccc4F)CC3)CC2)cc1 2297402669 ADMDTGFCNHAVPL-UHFFFAOYSA-N 568.671 4.051 10 10 KICE COc1ccc(N2CCN(CCCNC(=O)CN3C(=O)C(=Cc4cccc(Cl)c4)Oc4ccccc43)CC2)cc1 2297417766 RIYPMYLLTAIATR-UHFFFAOYSA-N 561.082 4.444 10 10 KICE O=C(NN1C(=O)C(=C2C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)SC1=S)c1ccncc1 2314717553 AMSAESVKRADOMY-UHFFFAOYSA-N 506.996 4.198 10 10 KICE CCOc1cc(C=C2SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)ccc1OCCC(=O)O 2314934803 KEROJPKJXIZIFC-UHFFFAOYSA-N 517.625 4.400 10 10 KICE CCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)c1ccccc1)=C(N)O2 1864017803 VOWGHPBBCDHSKT-GKVSMKOHSA-N 526.593 4.427 10 10 KICE CCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)CC)=C(N)O2 1864019736 PVWOWNSMKBHHOW-XCLFUZPHSA-N 527.419 4.218 10 10 KICE C[C@H]1CCCCN1C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccn2)[C@H]1c1ccc(O)c(O)c1 1865032202 XTBGIYOLQRIAFA-MHECFPHRSA-N 523.593 4.441 10 10 KICE Cc1oc(-c2cccc(F)c2)nc1CC(=O)N[C@@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866657177 MUYBRMGKPOUUQO-HNNXBMFYSA-N 511.509 4.250 10 10 KICE CN(C)c1ccc([C@@H](CNC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)N2CCCCC2)cc1 1867828374 NPRNKJUOUZTCSF-FQLXRVMXSA-N 588.665 4.254 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(OC(C)=O)cc3)NC(=O)C[C@@H](C)c3cccc(OC)c3)CC2)cc1 1868941278 JPMGGYLFAMQUGY-SLGOVJDISA-N 573.690 4.199 10 10 KICE CCCCOC(=O)COc1cn(CCNC(C)=O)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871201611 MAZGCQGRSZGNKC-UHFFFAOYSA-N 506.603 4.062 10 10 KICE CCCn1c(C(=O)NCc2ccccc2F)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873575726 RRUOYUXVBULELF-UHFFFAOYSA-N 502.594 4.246 10 10 KICE CCOc1cccc(N2C(=O)C(=Cc3ccc(OCc4cccc(C(=O)O)c4)cc3)C(=O)NC2=S)c1 2294204935 VOPHPYLWKDKRJJ-UHFFFAOYSA-N 502.548 4.194 10 10 KICE CCS(=O)(=O)C1=NN2C(=N)C(=Cc3cc(Cl)c(OCc4cccc(C)c4)c(OC)c3)C(=O)N=C2S1 2297346195 LHAXPZJOKPXYSW-UHFFFAOYSA-N 533.031 4.247 10 10 KICE COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)C2=C(C)NCCOc2ccccc2OC)cc1 2313683092 RNIYAOUHBXTXJT-UHFFFAOYSA-N 502.527 4.306 10 10 KICE O=c1[nH]ncn1-c1ccc(N2CCN(c3ccc(OC[C@@H]4CO[C@@](Cn5cncn5)(c5ccc(Cl)cc5Cl)O4)cc3)CC2)cc1 27993535 FBAPZOQKYAPBHI-DLFZDVPBSA-N 649.539 4.133 10 10 KICE in-vitro CN(C)c1ccc(CN(C(=O)Cc2coc3ccc(Br)cc23)[C@H]2CCS(=O)(=O)C2)cc1 39883364 BKPHROFLWBRGGM-FQEVSTJZSA-N 505.434 4.020 10 10 KICE CCOc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCc1cccc2ccccc12 104558399 BHTMQODBKARZOL-XDXPSGJKSA-N 534.619 4.439 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)CCCOc3ccc4ccccc4c3)CC2)cc1 1862224126 OQWWWANKOKBZCL-MHZLTWQESA-N 519.667 4.258 10 10 KICE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccncc1)=C(N)O2 1864009966 GYHMJERENLPFSD-HSZRJFAPSA-N 532.000 4.295 10 10 KICE Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1ccccc1OC(C)(C)C)[C@@H]2c1ccc(O)c(O)c1 1864015306 ODHHZMGUPGSBCF-GOSISDBHSA-N 532.519 4.038 10 10 KICE Cc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1CCO)=C(N)O2 1865028972 CMUBELYZJUMTPP-IDISGSTGSA-N 540.620 4.203 10 10 KICE CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(c3cccc(C)c3C)CC1)=C(N)O2 1865030874 TVJDRXKBFIOPSG-AREMUKBSSA-N 545.684 4.317 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCNC(=O)[C@@H]4c4ccc(F)cc4)nc(Cc4ccccc4)n3)CC2)cc1 1869080253 VVKHUKDGGGAATO-HKBQPEDESA-N 552.654 4.219 10 10 KICE CCCCOCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCn2ccnc2)C1=O 1873170153 PJCUTUDIWPNAEE-UHFFFAOYSA-N 503.647 4.257 10 10 KICE CCOc1ccc(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1874642705 LIDXVTGPSBVUJA-GDLZYMKVSA-N 526.637 4.265 10 10 KICE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(I)c1OCc1ccc2c(c1)OCO2 2313558285 XDQYTXRENVGRHO-UHFFFAOYSA-N 616.339 4.413 10 10 KICE Cc1c(N2C(=O)/C(=C\c3c(NC4CCCC4)nc4ccccn4c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C 100885923 VHUZOXREMRTKEU-LTGZKZEYSA-N 558.689 4.253 10 10 KICE C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3\SC(=S)N(CCS(=O)(=O)O)C3=O)c2)C1 150451526 GYMFOQBPSYYWEZ-CNEWXIHYSA-N 646.838 4.295 10 10 KICE CCCOC(=O)CCCN1C(=O)/C(=C/c2ccc(OCC(=O)N(CC)CC)c(OCC)c2)SC1=S 206877477 HADBCZBNJGYITB-PGMHBOJBSA-N 522.689 4.267 10 10 KICE Cc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCCC1)=C(N)O2 1864012192 UHSHJNZWFQMEJH-DEOSSOPVSA-N 506.578 4.324 10 10 KICE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CC)=C(N)O2 1865030405 JEHPLTDDTKTZKL-XMMPIXPASA-N 504.631 4.475 10 10 KICE COc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C3CCN(C)CC3)C2=O)cc1[N+](=O)[O-] 1873427764 ZVMPVCFACDMQIB-UHFFFAOYSA-N 529.597 4.297 10 10 KICE COc1ccc(N2CCN(CCC(=O)c3cccc(NC(=O)c4ccc(OC)c(OC)c4)c3)CC2)cc1 1874719865 FLAACELPKQVKEJ-UHFFFAOYSA-N 503.599 4.360 10 10 KICE CCOCCOC(=O)c1ccc(N2C(=O)C(O)=C(c3cccc(OC)c3)[C@@H]2c2ccc(O)c(O)c2)cc1 526566657 KTQGOLQIRUMWDG-VWLOTQADSA-N 505.523 4.357 10 10 KICE CCCn1nc(CC)c2c1OC(N)=C(C(=O)NCc1cccc(C(F)(F)F)c1)[C@H]2c1ccc(O)c(O)c1 1864022172 VGFIRDLQODRBOL-FQEVSTJZSA-N 516.520 4.297 10 10 KICE CCc1nn(CC(C)C)c2c1[C@H](c1cccc(C)c1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865570451 FGYCRCQNEIWEND-SANMLTNESA-N 529.685 4.462 10 10 KICE CN(C)c1ccc([C@@H](CNC(=O)C[C@@H](CNC(=O)C(F)(F)F)c2ccccc2)N2CCCCC2)cc1 1865983837 VSQANRCPHHYKGN-LADGPHEKSA-N 504.597 4.248 10 10 KICE O=C(N[C@@H](Cc1ccc(F)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(-c2ccncc2)[nH]n1 1867157964 GZYUKISGPIBCDB-SANMLTNESA-N 559.557 4.366 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)Cc3nc(-c4cccc(F)c4)oc3C)CC2)cc1 1868644744 ZZQRLSAMZOPOTN-LJAQVGFWSA-N 556.638 4.417 10 10 KICE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccc(C(C)C)cc4)cn3C[C@H](C)O)CC2)cc1 1870472456 YBOLNVSOMKANKZ-QHCPKHFHSA-N 505.659 4.262 10 10 KICE Oc1cccc(F)c1Cn1nc(I)c(I)c1C(F)(F)F 2079208149 OVVZLDSXHAKMKM-UHFFFAOYSA-N 511.982 4.004 10 10 KICE Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccco4)C3=O)c(NC[C@@H](O)c3ccccc3)nc12 2296540724 KAUHXARLEODCBV-HXUWFJFHSA-N 518.620 4.143 10 10 KICE O=C1C(=Cc2c(NC[C@H](O)c3ccccc3)nc3ccccn3c2=O)SC(=S)N1Cc1ccccc1 2296546415 XMUKLDIDKBMNQT-NRFANRHFSA-N 514.632 4.241 10 10 KICE COC(=O)c1ccc(-n2c(C)cc(C=C3SC(=O)N(CC(=O)Nc4ccc5c(c4)OCO5)C3=O)c2C)cc1 2297560784 ULEQBFPCSIBXAS-UHFFFAOYSA-N 533.562 4.284 10 10 KICE Cc1ccc2nc(N3CCC(C)CC3)c(/C=C3/SC(=S)N(CCCCCC(=O)O)C3=O)c(=O)n2c1 33451861 CJCQFEUFEPLKOC-XMHGGMMESA-N 514.673 4.085 10 10 KICE O=C(O)CCCCCN1C(=O)/C(=C\c2c(N3CCN(c4ccc(F)cc4)CC3)nc3ccccn3c2=O)SC1=S 100860247 PMXPFKKLZJHCJS-RELWKKBWSA-N 581.695 4.006 10 10 KICE O=C1/C(=C/c2cccs2)SC(=S)N1CCC(=O)N(Cc1ccc(N2CCCCC2)o1)[C@H]1CCS(=O)(=O)C1 101909536 KDGZIEVMVNHVDM-IGCAKMCNSA-N 579.791 4.139 10 10 KICE CCCn1c(NCCc2ccc(OC)c(OC)c2)c(/C=C2\SC(=S)N(CCCOC)C2=O)c(C)c(C#N)c1=O 143299619 OVXTVHQKKXZKRS-JLPGSUDCSA-N 570.737 4.348 10 10 KICE Cc1ccc(/C=C2/SC(=S)N(CCC(=O)NCCN3CCN(C(=O)CCN4C(=O)/C(=C\c5ccc(C)cc5)SC4=S)CC3)C2=O)cc1 150646849 JTGQMSBHUJZORY-GPAWKIAZSA-N 707.969 4.447 10 10 KICE Cc1ccc(/C=C2/SC(=S)N(CCC(=O)N(Cc3ccc(N4CCCCC4)o3)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 207308225 RLCPCCFSPJAOBD-PCCDRTMGSA-N 587.789 4.386 10 10 KICE COc1ccc(/C=C2\SC(=S)N(CCC(=O)N(Cc3ccc([C@@H]4C[C@@H]4C)o3)[C@H]3CCS(=O)(=O)C3)C2=O)cc1 256040119 CEUSTVFLZUWVAX-KJRDIALVSA-N 574.746 4.219 10 10 KICE Cc1ccc(CCNC(=O)C2=C(N)Oc3c(c(C)nn3Cc3cccc(F)c3)[C@H]2c2ccc(O)c(O)c2)cc1 1864011866 MDVGCWTVGJJKFU-AREMUKBSSA-N 528.584 4.152 10 10 KICE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccncc1)=C(N)O2 1864012771 IWWHQEPXRTWILD-XMMPIXPASA-N 546.027 4.355 10 10 KICE CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC13CC4CC(CC(C4)C1)C3)=C(N)O2 1864014393 UHSAVBHWKDPESL-QCKPZGTRSA-N 541.652 4.411 10 10 KICE Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCc1ccc(Cl)cc1)[C@H]2c1ccc(O)c(O)c1 1864016611 UCLHCLBDFKNBRI-QFIPXVFZSA-N 516.985 4.205 10 10 KICE CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H]1CCCC[C@H]1C)=C(N)O2 1864018435 LAEKMTUSIXOKNT-YOJAFSQSSA-N 520.605 4.434 10 10 KICE CC1CCN(C(=O)C2=C(N)Oc3c(c(-c4ccccc4)nn3-c3ccccn3)[C@H]2c2ccc(O)c(O)c2)CC1 1865031503 INFHDMRISOGMSD-XMMPIXPASA-N 523.593 4.299 10 10 KICE CCCc1nn(CCC)c2c1[C@H](c1ccccc1F)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865068217 GAKOVLFPPVZGGO-VWLOTQADSA-N 533.648 4.437 10 10 KICE CN(C)c1ccc([C@@H](CNC(=O)[C@@H](CC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)N2CCCCC2)cc1 1866006706 DYMSJPKOMFFCSF-KAYWLYCHSA-N 552.716 4.423 10 10 KICE CCCC[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866872241 XPPARCYCBBKWGA-CLOONOSVSA-N 523.589 4.129 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(OC(C)=O)cc3)NC(=O)[C@@H](C)Cc3ccc(F)cc3)CC2)cc1 1868763887 MWCCHZJJWCPQTC-CHJDUVSTSA-N 561.654 4.015 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCC[C@H]4C(=O)NCc4ccccc4)nc(C(C)C)n3)CC2)cc1 1869089161 XPVZLABQUYGQPD-SANMLTNESA-N 514.674 4.220 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)/C=C/c4ccc([N+](=O)[O-])cc4)n(-c4ccccc4)n3)CC2)cc1 1869970309 IERDASGSOKTJCT-CXUHLZMHSA-N 525.569 4.163 10 10 KICE CCOCCCN1C(=O)C(NCc2ccc3c(c2)OCO3)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873168387 SZUBHCINWQPRPC-UHFFFAOYSA-N 501.583 4.119 10 10 KICE C[C@H]1CN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N([C@@H](C)c3ccccc3)C2=O)C[C@@H](C)O1 2296541889 DMILYCJQXMSZDS-KSZLIROESA-N 506.653 4.271 10 10 KICE CN1C(=O)C(=Cc2cn(Cc3cccc(F)c3)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 2297508804 LUUICMDWVSRLON-UHFFFAOYSA-N 531.609 4.367 10 10 KICE COc1c(Br)cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1I 2313558597 FOLHPKVXMVKZMU-UHFFFAOYSA-N 561.170 4.033 10 10 KICE COC(=O)c1cc(NC(C)=C2C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccc(OC)cc2)cc(C(=O)OC)c1 2313683744 ZGVXNMAYSISPRU-UHFFFAOYSA-N 544.520 4.314 10 10 KICE CCCC[C@@H](CC)CN1C(=O)C(=Cc2c(N3CCC(C(N)=O)CC3)nc3c(C)cccn3c2=O)SC1=S 2314401449 YTJGZRMMCIIVEV-GOSISDBHSA-N 541.743 4.122 10 10 KICE C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C3SC(=S)N(CCCC(=O)O)C3=O)c2)C[C@@H](C)O1 2314476079 IIEXLDOYZRXXQO-BGYRXZFFSA-N 626.782 4.403 10 10 KICE CC1CCN(C2=NC(=O)C(=Cc3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N4CCOCC4)c3)S2)CC1 2314476186 KIXXBGJNMRDCBH-UHFFFAOYSA-N 577.732 4.262 10 10 KICE CC(C)S(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCCOc4ccccc4)c(Cl)c3)C(=N)N21 104563540 XIFVSWSNRVGQOZ-NFBUKIRSSA-N 533.031 4.198 10 10 KICE CCOC(=O)CCCCCN1C(=O)/C(=C2/SC(=S)N(CCCCCC(=O)OCC)C2=O)SC1=S 106055428 AIQSYNLAAPIPBY-ZCXUNETKSA-N 546.758 4.166 10 10 KICE CC(C)CC[C@H]1OC(=O)N[C@H]1c1cc(I)cc(I)c1O 575254282 ABEXZWOKNBESLK-NEPJUHHUSA-N 501.102 4.187 10 10 KICE Cc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C)C1)=C(N)O2 1865025972 HACGCYHELXPERS-CMJOXMDJSA-N 509.006 4.258 10 10 KICE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4-c4ccccc4)[C@H]3c3cccc(F)c3)CC2)cc1 1865541762 JYJNQQIYDOBFME-HHHXNRCGSA-N 539.611 4.372 10 10 KICE CCOC(=O)Oc1ccc(C(=O)N[C@@H](CC)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867299858 UTXQDNCACXWAPJ-IZZNHLLZSA-N 524.662 4.140 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCC(c5ncncn5)CC4)nc(-c4ccccc4C)n3)CC2)cc1 1869150746 KVWAXXBCUULANW-UHFFFAOYSA-N 522.657 4.356 10 10 KICE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4cccc5ccccc45)cn3CCCO)CC2)cc1 1870488228 SWXFTWUZQUMHGX-UHFFFAOYSA-N 513.638 4.294 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccc(C(=O)OC(C)C)cc3)C(=O)N(CCN(C)C)C2=O)cc1 1873165860 XKNRZNSEUGTREI-UHFFFAOYSA-N 528.653 4.091 10 10 KICE COc1ccc([C@H](C)NC(=O)Cn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)cc1OC 1873995584 XVSNDVGOOWRIQH-SFHVURJKSA-N 508.578 4.469 10 10 KICE CCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCc3ccc(O)cc3)ncnc21 1875206829 JTKWWZJOOMEWPH-UHFFFAOYSA-N 500.603 4.130 10 10 KICE CCOc1cc(C=C2SC(=S)N(n3c(C)ccc3C)C2=O)cc(I)c1O 2293937633 YLVOHSFOTATTBF-UHFFFAOYSA-N 500.383 4.351 10 10 KICE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(Br)cc1OC(C)C 2313557251 YCGLRZIOBDARTB-UHFFFAOYSA-N 517.332 4.030 10 10 KICE Cc1ccc(CN(C)C(=O)[C@H](CC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)c(O)c1Br 2380780026 HQECFCLXOUEIND-IBGZPJMESA-N 535.435 4.448 10 10 KICE CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C(=O)OCC)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 100617689 KVOQYJDBUYRESZ-JLKMOJGBSA-N 629.735 4.400 10 10 KICE COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(Br)c(Br)c1O 103858329 PMRSSXFFFVUSKQ-WDZFZDKYSA-N 575.007 4.355 10 10 KICE COCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)c2)SC1=S 110558184 GTLQZVJKTAWERK-LZSGNZRWSA-N 598.772 4.185 10 10 KICE CCOc1cc(/C=C2/SC(=S)N([C@H](C(=O)OC)c3ccccc3)C2=O)cc(Br)c1OCC(=O)N1CCOCC1 150435706 NAOQIEYZYJLHOC-QFVBLGFASA-N 635.558 4.201 10 10 KICE Nc1ccc(OCC(=O)Nc2c(I)cc(I)cc2I)cc1 155060173 GXXAEKHNNHNVTE-UHFFFAOYSA-N 619.966 4.100 10 10 KICE CCCn1nc(C)c2c1OC(N)=C(C(=O)N[C@@H](C)C13CC4CC(CC(C4)C1)C3)[C@@H]2c1ccc(O)c(O)c1 1864010077 OUKJSWNVHIBOJA-KPEMCJJNSA-N 506.647 4.428 10 10 KICE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)NC2CCCCC2)[C@H]3c2ccc(O)c(O)c2)c1 1864010750 BKWPQUHDOPAXJM-VWLOTQADSA-N 502.615 4.411 10 10 KICE Cc1ccc(C)c(CNC(=O)C2=C(N)Oc3c(c(C)nn3Cc3cccc(F)c3)[C@@H]2c2ccc(O)c(O)c2)c1 1864011919 MVHIDBKEEYLKGM-SANMLTNESA-N 528.584 4.418 10 10 KICE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)NCCc2ccc(F)cc2)[C@H]3c2ccc(O)c(O)c2)c1 1864012217 URRRQVQBHUIFSN-MHZLTWQESA-N 542.611 4.460 10 10 KICE Cc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1Cl)=C(N)O2 1864012402 ZFZKPJPHUKYDKP-DEOSSOPVSA-N 534.975 4.455 10 10 KICE CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOc1cc(C)cc(C)c1)=C(N)O2 1864014348 SMNLILFEHRLEGV-DEOSSOPVSA-N 520.630 4.163 10 10 KICE CCc1ccc([C@H](C)NC(=O)C2=C(N)Oc3c(c(CC)nn3-c3ccccn3)[C@H]2c2ccc(O)c(O)c2)cc1 1864019031 UPLGIMAWGAMMHV-SSOJOUAXSA-N 525.609 4.375 10 10 KICE Cc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C)C1)=C(N)O2 1865025973 HACGCYHELXPERS-IQMFZBJNSA-N 509.006 4.258 10 10 KICE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4c(Cl)cccc4Cl)cn3CCO)CC2)cc1 1870603883 MUIHVEFUTHXHTO-UHFFFAOYSA-N 518.441 4.057 10 10 KICE N=c1[nH]nc(COc2cn(C[C@@H]3CCCO3)c(CNc3ccc(Nc4ccccc4)cc3)cc2=O)s1 1871025962 IRPQDQUDXAXZGZ-QFIPXVFZSA-N 504.616 4.226 10 10 KICE CCCCOCCCN=c1nc(Nc2ccc(F)cc2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871514996 FSLTWOYTLSGAOJ-UHFFFAOYSA-N 509.630 4.130 10 10 KICE CCCCN1C(=O)C(=Cc2c(N3CCN(c4ccccc4F)CC3)nc3c(C)cccn3c2=O)SC1=S 2296255981 BFVSNWUDAPAJBU-UHFFFAOYSA-N 537.686 4.470 10 10 KICE Cc1ccc2nc(N3CCN(c4ccccc4F)CC3)c(C=C3SC(=S)N(CC(C)C)C3=O)c(=O)n2c1 2296331000 UQTJSWTZTHCYKE-UHFFFAOYSA-N 537.686 4.326 10 10 KICE O=C(CCCN1C(=O)C(=C2SC(=S)N(CCCC(=O)Nc3cccc(C(=O)O)c3)C2=O)SC1=S)Nc1cccc(C(=O)O)c1 2297476656 PRZUGJAVEHTUSI-UHFFFAOYSA-N 672.788 4.153 10 10 KICE Cc1ccsc1CN(C(=O)CN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)[C@@H]1CCS(=O)(=O)C1 101266776 WLLNJPKRGZINBW-RMFUMNGISA-N 541.141 4.127 10 10 KICE COc1ccc(OCC(=O)NN2C(=O)c3cc(Br)ccc3N[C@H]2c2ccc(N(C)C)cc2)cc1 101316024 SDUNYVYHMJNLGB-XMMPIXPASA-N 525.403 4.200 10 10 KICE CCOC(=O)c1c(NC(=O)C(=O)NCc2ccncc2)sc(C)c1-c1ccc(Br)cc1 1860758797 PNDOVZNBHYZHAG-UHFFFAOYSA-N 502.390 4.313 10 10 KICE Cc1ccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3Cc3ccccc3F)[C@H]2c2ccc(O)c(O)c2)cc1 1864010674 AOVZMBHYUVGWLC-RUZDIDTESA-N 514.557 4.110 10 10 KICE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1C[C@H](C)C[C@@H](C)C1)[C@@H]2c1ccc(O)c(O)c1 1865033528 BRBGZSHUGDNTGA-HBUWYVDXSA-N 508.541 4.168 10 10 KICE CCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOc3ccccc31)=C(N)O2 1865034880 GTSSSAOBGPVMJY-RUZDIDTESA-N 542.567 4.164 10 10 KICE CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)Cc1ccccc1)=C(N)O2 1865035239 OTYHAWROSSLAJY-VWLOTQADSA-N 528.584 4.397 10 10 KICE CCC[C@@H](NC(=O)Cc1nc(-c2ccccc2C)oc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868632878 NJCRDLGSYDHDFN-RUZDIDTESA-N 504.631 4.143 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NC3CCCCCC3)C(=O)N(CCCN3CCOCC3)C2=O)cc1 1873168408 UIKVKPCGBVTDSF-UHFFFAOYSA-N 504.675 4.209 10 10 KICE CN(C)c1ccc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc1Br 2313561201 YYKXNUSSONNABX-UHFFFAOYSA-N 509.223 4.109 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)C=Cc3cccc(Cl)c3)CC2)cc1 2330366210 DEZVLWHHCCTDCD-HHHXNRCGSA-N 504.030 4.438 10 10 KICE CCCN(CCC)C(=O)COc1ccc(C=C2C(=O)N(c3ccccn3)N=C2C(F)(F)F)cc1OC 2332139358 XVJIKBRPDMZBIE-UHFFFAOYSA-N 504.509 4.466 10 10 KICE CCN1/C(=C/C=C/C2=[N+](CCCCCC(=O)NCCN)c3ccc(S(=O)(=O)O)cc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21 72131075 ORNHJQWBHLGYSB-UHFFFAOYSA-O 673.878 4.449 10 10 KICE in-vitro Cc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1)=C(N)O2 1864007956 YCBNDEMXSBWPEK-HSZRJFAPSA-N 502.958 4.256 10 10 KICE CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cccs1)=C(N)O2 1864012705 HDHPBNFGIXXDOJ-XMMPIXPASA-N 530.650 4.410 10 10 KICE CCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)Cc1ccccc1)=C(N)O2 1865034932 HURZBAMEVFGWKN-RUZDIDTESA-N 528.584 4.397 10 10 KICE C[C@H](NC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867527229 BGGXGUZYTVCXOK-ZTOMLWHTSA-N 567.690 4.015 10 10 KICE CCCN=c1nc(Nc2ccc(Br)c(C)c2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871578419 CBMRGMAVKDYCJW-UHFFFAOYSA-N 512.456 4.265 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NC[C@H]3CCCO3)C(=O)N(CCc3nc4ccccc4[nH]3)C2=O)cc1 1873166174 FNHHMEGLVQSGFD-HSZRJFAPSA-N 509.610 4.062 10 10 KICE O=C(Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)Nc1ccccc1N1CCOCC1 1873973725 XOOPTOVZPWLVAV-UHFFFAOYSA-N 505.578 4.050 10 10 KICE Cc1ccc(NC(=O)COc2ccc(Cl)cc2C=C2SC(=S)N([C@@H](CCC(=O)O)C(=O)O)C2=O)cc1 2314842264 KVGUAZWICXAOKW-KRWDZBQOSA-N 549.026 4.185 10 10 KICE Cn1c(=O)c2c(-c3ccc(Cl)cc3)n3c(c2n(C)c1=O)[C@@H](c1ccc(O)c(O)c1)Nc1ccccc1-3 21659114 KRPILABXPVPSCD-JOCHJYFZSA-N 500.942 4.274 10 10 KICE COCc1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(SCc2ccc(C(=O)NC[C@H]3CCCO3)cc2)n1 98015254 IPTOZJYMRROOKU-HHHXNRCGSA-N 563.724 4.159 10 10 KICE COc1ccc(N2CCN(S(=O)(=O)c3ccc(F)c(C(=O)Nc4ccccc4Br)c3)CC2)cc1 98049741 AASNTERVDCRNDV-UHFFFAOYSA-N 548.434 4.360 10 10 KICE N=C1/C(=C\c2ccc(OC(=O)c3ccc(F)cc3)cc2)C(=O)N=C2SC(CC(=O)N3CCCCC3)=NN12 103598510 ZEIIJZLIRQHKCT-UFTGVOQFSA-N 519.558 4.067 10 10 KICE CC(C)(C)C(=O)OC[C@@H](N=[N+]=[N-])[C@@H]1O[C@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C 1085210291 JLKYKJIAGQRDOG-MDMSPXHWSA-N 541.642 4.485 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)CCCOc3ccc4ccccc4c3)CC2)cc1 1862224887 WEZCOQSDXMECGA-MUUNZHRXSA-N 501.627 4.347 10 10 KICE CCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(OC(C)(C)C)cc1)=C(N)O2 1864018078 CCVMVYFHVIRUIV-JOCHJYFZSA-N 506.603 4.065 10 10 KICE CCCC[C@@H](NC(=O)c1cc(-c2cccnc2)[nH]n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867159997 JTMPZCJELKOLRB-JOCHJYFZSA-N 507.550 4.174 10 10 KICE CCCCOc1ccc(C(=O)NCC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1OCC 1867666752 VPRYAJMGAKRWIK-SANMLTNESA-N 524.706 4.403 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(OC(C)=O)cc3)NC(=O)CCc3c[nH]c4ccccc34)CC2)cc1 1868582231 MWQQPTXYFBAHQI-HKBQPEDESA-N 568.674 4.111 10 10 KICE COc1ccc(N2CCN(c3nc(=NCC(C)C)[nH]c(=Nc4cc(Cl)cc(Cl)c4)[nH]3)CC2)cc1 1871537960 GCAFAYITMXYASM-UHFFFAOYSA-N 502.450 4.169 10 10 KICE COc1ccc(N2CCN(c3nc(=NCc4ccccc4C)[nH]c(=Nc4cccc(Cl)c4)[nH]3)CC2)cc1 1871647973 SFUXZXWCFGKNKT-UHFFFAOYSA-N 516.049 4.368 10 10 KICE O=C(CCN1C(=O)C(=Cc2cccc(Br)c2)SC1=S)Nc1ccc([N+](=O)[O-])cc1O 2297459484 PFMPHFOYPHRGKW-UHFFFAOYSA-N 508.375 4.293 10 10 KICE O=C(CN1C(=O)SC(=Cc2cc(Br)cc(Br)c2O)C1=O)N1CCCCCC1 2314834022 YYCPLCDZRDDKEV-UHFFFAOYSA-N 518.227 4.356 10 10 KICE COc1ccc(N2CCN(C(=O)c3oc4ccccc4c3NC(=O)Cc3ccc([N+](=O)[O-])cc3)CC2)cc1 20900488 PYHKDWLJRQORDA-UHFFFAOYSA-N 514.538 4.493 10 10 KICE CCSc1ccc(Cl)cc1CC(=O)N1CSC[C@@H]1C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861907543 CKTGAIGYIXYDQW-JOCHJYFZSA-N 520.120 4.253 10 10 KICE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCC1)=C(N)O2 1864012874 LIWLFAQZBOTYAI-HSZRJFAPSA-N 506.578 4.188 10 10 KICE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCc1ccc(F)cc1)[C@H]2c1ccc(O)c(O)c1 1864015767 FIMMRLSTQBWFGV-QFIPXVFZSA-N 500.530 4.131 10 10 KICE CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1ccc(C)cc1 1865195898 XWTMIIQCARBSNB-RUZDIDTESA-N 515.658 4.216 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)Cc3csc(COc4ccc(C)cc4)n3)C(C)C)CC2)cc1 1868591792 QBEBIGAYUJBAED-MUUNZHRXSA-N 536.698 4.071 10 10 KICE COC(=O)Cc1ccc(NC(=O)CCn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)cc1 1873950249 GNGMXXGCZKWCBB-UHFFFAOYSA-N 506.562 4.319 10 10 KICE COc1ccc(C=C2C(=O)NC(=S)N(C3CCCCC3)C2=O)cc1COc1ccc(NC(C)=O)cc1 2295934200 GFMSNAOJHMXHON-UHFFFAOYSA-N 507.612 4.192 10 10 KICE Cc1cccn2c(=O)c(C=C3SC(=S)N(C4CCCC4)C3=O)c(NC[C@@H](O)c3ccccc3)nc12 2296547669 YQOYVYGMTBSWRA-HXUWFJFHSA-N 506.653 4.292 10 10 KICE CCOc1cc(C=C2C(=O)NN(c3ccc(Cl)cc3)C2=O)c(Br)c(Br)c1O 2297461719 KQUVPCYWWBSJFT-UHFFFAOYSA-N 516.573 4.431 10 10 KICE O=C(O)CN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCCCC3)c2)SC1=S 2314476936 YHSDOGIQWIMUFF-UHFFFAOYSA-N 582.729 4.390 10 10 KICE COc1ccc(C=C2SC(=S)N(CC(=O)N(Cc3ccc(N(C)C)cc3)C[C@@H]3CCCO3)C2=O)cc1 2314627684 SEUCVTOXASPAGW-QHCPKHFHSA-N 525.696 4.170 10 10 KICE Cc1ccc(Cn2c(C)nc(I)c2I)c(O)c1Br 2327614960 HWYVBBCTZYOLGN-UHFFFAOYSA-N 532.945 4.226 10 10 KICE Cc1ccc(CN2C(=O)/C(=C\c3c(NC[C@@H]4CCCO4)nc4c(C)cccn4c3=O)SC2=S)cc1 33367621 BLGZTWKUUDTCNE-IOVUBPJKSA-N 506.653 4.304 10 10 KICE CN(C)c1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2C(=O)CN2C(=O)C(=O)c3cc(Cl)ccc32)cc1 72413281 LYMUOCYEPAKDEF-DEOSSOPVSA-N 504.949 4.452 10 10 KICE CC[C@@H](C)N1C(=O)/C(=C\c2c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)nc3c(C)cccn3c2=O)SC1=S 102835920 AIXCMDPHFQKVIP-IERINAHZSA-N 577.732 4.054 10 10 KICE CCn1c(N2CCN(c3ccc(F)cc3)CC2)c(/C=C2\SC(=S)N(CC(C)C)C2=O)c(C)c(C#N)c1=O 110523315 UZFYTLSRKRSMQX-UCQKPKSFSA-N 539.702 4.371 10 10 KICE COc1ccc(CNc2c(/C=C3\SC(=S)N(CCCCCC(=O)O)C3=O)c(C)c(C#N)c(=O)n2C)cc1 143282665 ZKZBHHGLUIJYGN-BKUYFWCQSA-N 540.667 4.032 10 10 KICE CCc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@](Cc2ccc([N+](=O)[O-])cc2)(C(=O)O)N[C@H]3c2cc(Br)ccc2O)cc1 251987361 HXZYFKOKHGXAQD-NLJXWPIHSA-N 594.418 4.142 10 10 KICE COc1cc(C=C2C(=O)NC(=S)NC2=O)c(Br)cc1OCc1ccc(Cl)cc1Cl 725406886 NLESUZNFWMZWSZ-UHFFFAOYSA-N 516.200 4.258 10 10 KICE C[C@H]1NC(=O)C2(CCCCc3ccccc3OCCNC1=O)CCN(Cc1ccc(N3CCCC3)c(F)c1)CC2 1615071711 QIORLIFCBAZKCL-XMMPIXPASA-N 550.719 4.434 10 10 KICE CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccs1)=C(N)O2 1864011226 RUZXKBJMVIVGJY-QFIPXVFZSA-N 502.596 4.309 10 10 KICE COCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)cc2)[C@@H]1c1ccc(O)c(O)c1 1864016275 LABLAVGVMAKNSN-QHCPKHFHSA-N 547.011 4.120 10 10 KICE CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1F)=C(N)O2 1864017707 SERYFWJLPGCGGN-XMMPIXPASA-N 514.557 4.304 10 10 KICE CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1ccc(CC)cc1 1865503241 QQSKKTBFNNPSKU-SANMLTNESA-N 529.685 4.470 10 10 KICE CCc1ccccc1OCC(=O)Nc1nc(N2CCN(c3ccc(OC)cc3)CC2)nn1-c1ccccc1 1869970983 WFIQKPPJBBTPSG-UHFFFAOYSA-N 512.614 4.182 10 10 KICE Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1cccc(C(=O)O)c1 2294095711 ZRIVLDJIHJBUEG-UHFFFAOYSA-N 508.328 4.221 10 10 KICE N=C1C(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N=C2SN=C(S(=O)(=O)Cc3ccccc3)N12 2297345891 KZBUXFBWCSIUTR-UHFFFAOYSA-N 521.536 4.046 10 10 KICE C[C@H]1CN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(Cc3ccccc3Cl)C2=O)C[C@@H](C)O1 2314400507 NXSNNHXODKETCC-IYBDPMFKSA-N 527.071 4.363 10 10 KICE NS(=O)(=O)c1ccc(NC(=O)COc2ccccc2C=C2SC(=S)N(Nc3nc4ccccc4s3)C2=O)cc1 2314818456 GKSOWLWHRWINPL-UHFFFAOYSA-N 597.725 4.190 10 10 KICE COc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)ccc1OCC(=O)Oc1ccc(C=O)cc1 33723317 CNTQHNNMSAGIOD-UUYOSTAYSA-N 509.561 4.487 10 10 KICE COc1cccc(C2=NN(C(=O)CN3C(=O)C(=O)c4cc(Cl)ccc43)[C@@H](c3ccc(N(C)C)cc3)C2)c1 72413214 BZTSNYHAWWKPRS-RUZDIDTESA-N 516.985 4.322 10 10 KICE Cc1ccc2nc(N3C[C@H](C)O[C@@H](C)C3)c(/C=C3\SC(=S)N(Cc4ccc(F)cc4)C3=O)c(=O)n2c1 1772719146 YRNUXXNOALCXOH-WLPOIXRISA-N 524.643 4.157 10 10 KICE Cc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C(=O)NCCc2cnc[nH]2)[C@H]3c2ccc(O)c(O)c2)cc1 1864013420 BDPKUKREIHVESZ-VWLOTQADSA-N 548.603 4.036 10 10 KICE Cc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1C)=C(N)O2 1865027800 LJGOELTYELRGPM-PEBXRYMYSA-N 539.430 4.450 10 10 KICE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)N2CCC[C@H](C)C2)[C@H]3c2ccc(O)c(O)c2)cc1 1865031195 BDDPSFPTRXUWCT-XOBRGWDASA-N 544.530 4.264 10 10 KICE COc1c(Cl)ccc(Cl)c1C(=O)NCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867745844 NOBUJPQZYJPLTD-NRFANRHFSA-N 507.462 4.141 10 10 KICE Cc1c(C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1867817173 KJHFKOJDAJXSGX-PQHLKRTFSA-N 618.691 4.268 10 10 KICE CC(=O)Oc1ccc(C[C@H](NC(=O)c2ccc(N(C)C)cc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867885188 GVRUMKIEYJERPZ-JHOUSYSJSA-N 599.776 4.428 10 10 KICE COc1ccc(N2CCN(c3nc(=NCC(C)C)nc(Nc4ccc(N5CCCCC5)cc4)[nH]3)CC2)cc1 1871608756 GBFHCRFSPJRRDL-UHFFFAOYSA-N 516.694 4.431 10 10 KICE CS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(OCCOc4ccccc4Cl)c(Cl)c3)C(=O)N=C2S1 2297346299 SPVNCKWGPBUDAP-UHFFFAOYSA-N 539.422 4.072 10 10 KICE Cc1ccc2nc(NCc3ccco3)c(/C=C3/SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(=O)n2c1 100885817 MYWAYVHHXGCLAN-HYARGMPZSA-N 584.683 4.412 10 10 KICE COc1ccc(/C=C2/SC(=S)N(CCC(=O)N(Cc3cccc(Cl)c3)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 102998007 LOSALALYMDNQQT-YRXLECQKSA-N 565.138 4.156 10 10 KICE CCOC(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C\c3cc(OC)c(O)c(OC)c3)SC2=S)cc1 210719509 QGTBLFAQQKUAMG-XSFVSMFZSA-N 530.624 4.206 10 10 KICE CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OCc1ccc(C(=O)O)cc1 1084289475 SZUIBWKNBYQIKC-BKUYFWCQSA-N 504.470 4.168 10 10 KICE CCc1nn(CC(C)C)c2c1[C@@H](c1cc(C)ccc1O)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865204908 QAHLZPXEZMBHQD-AREMUKBSSA-N 545.684 4.168 10 10 KICE CC[C@@](C)(NC(=O)[C@H](C)c1ccc(Br)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868833312 MIKAZCGKTACIAR-IQGLISFBSA-N 502.453 4.195 10 10 KICE CCn1cc(OCC(=O)Nc2c(C)cc(C)cc2C)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870745545 OWABGLGGFUYLIN-UHFFFAOYSA-N 518.658 4.142 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)Cc3ccc(C)c(C)c3)CC2)cc1 1874643357 XLISEWASMBGUHK-SSEXGKCCSA-N 524.665 4.412 10 10 KICE COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4ccc(Cl)c(C(=O)O)c4)c3C)C2=O)c(OC)c1 2294106482 SODPEFMTCVSFJC-UHFFFAOYSA-N 523.929 4.129 10 10 KICE COc1cc(C=C2C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c(Br)c(Br)c1O 2294244433 INALQNRLHLELLV-UHFFFAOYSA-N 540.233 4.374 10 10 KICE CCOc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)ccc1OC(=O)c1ccc(C)cc1 2297346048 YVZJZKZYMKPHNW-UHFFFAOYSA-N 540.623 4.013 10 10 KICE CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4ccc5c(c4)OCO5)c3C)C2=O)c1 2313556893 OBMZWADWPWRFDP-UHFFFAOYSA-N 517.538 4.287 10 10 KICE CCOc1cc(/C=C2/C(=N)N3C(SC)=NSC3=NC2=O)ccc1OCCOc1ccccc1OC 20154716 KDGVHLFIVRFCFD-SQPBVYQDSA-N 512.613 4.491 10 10 KICE COc1ccc(CN2C(=O)/C(=C\c3c(N4CCN(c5ccc(OC)cc5)CC4)nc4ccccn4c3=O)SC2=S)cc1 102684855 ZZBPMESRNLTUDS-LGUFXXKBSA-N 599.738 4.440 10 10 KICE CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C/c3ccccc3OCc3ccc(C(=O)O)cc3)C2=O)c1 1084155416 LEJDZWVTNGDZSV-JCMHNJIXSA-N 530.533 4.428 10 10 KICE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccnc1)=C(N)O2 1864013081 PQJRJLGSYOCLAE-SANMLTNESA-N 539.636 4.318 10 10 KICE CCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN(CC)CC)=C(N)O2 1864019620 NPNWESQSFNLCTO-AREMUKBSSA-N 547.700 4.146 10 10 KICE CCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(OC)cc1)=C(N)O2 1864020414 YMOXOOWUPABSEL-AREMUKBSSA-N 540.620 4.233 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCCCN3CCOCC3)C(=O)N([C@@H]3CCCC[C@@H]3C)C2=O)cc1 1873169343 KONIUMCQXQIRBU-HFZDXXHNSA-N 504.675 4.065 10 10 KICE CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)NCc4ccc5c(c4)OCO5)c4ccccc34)[C@H]21 1873921323 HCDNWUFDHKVTAP-LJAQVGFWSA-N 508.578 4.223 10 10 KICE CC[C@@H](C)N1C(=O)C(=Cc2c(N3CCN(c4ccccc4OC)CC3)nc3ccccn3c2=O)SC1=S 2295990441 ONUMBXUTDGJCCM-GOSISDBHSA-N 535.695 4.029 10 10 KICE CCOCCCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3ccccc3Cl)c3ccccc32)SC1=S 2296712133 APGJZSVUBYCPBI-UHFFFAOYSA-N 516.044 4.323 10 10 KICE Cc1ccc(C(C)C)c(OCCOc2ccc(C=C3C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2)c1 2297345897 LJNZTDJXQKBAKF-UHFFFAOYSA-N 526.640 4.197 10 10 KICE CCN1C(=O)C(=Cc2cn(CC(=O)N3[C@H](C)CCC[C@H]3C)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 2297509068 RNAQMGLCSPQXPB-DHIUTWEWSA-N 590.746 4.359 10 10 KICE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCc1ccc(C)cc1 2313556367 XDZXKBDJOZVDKY-UHFFFAOYSA-N 500.507 4.368 10 10 KICE COC(=O)[C@H](c1ccccc1)N1C(=O)C(=Cc2ccc(OCC(=O)N3CCCCC3)cc2)SC1=S 2314767039 CUCVGRUMWAMCBN-QHCPKHFHSA-N 510.637 4.193 10 10 KICE CCOC(=O)c1ccc(N2C(=O)C[C@@H](N3C(=O)C(=CC(C)=Cc4ccccc4)SC3=S)C2=O)cc1 2314832140 AIZZJYLDTFYRPB-HXUWFJFHSA-N 506.605 4.343 10 10 KICE CCCCOCCOC(=O)Cn1cc(C=C2SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 2326945393 IOKNYVDGNKGRCB-UHFFFAOYSA-N 504.630 4.067 10 10 KICE COc1cc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccc(C(=O)O)cc3)C2=O)ccc1O 15044412 KRKYJMVSJLHRPG-ZHZULCJRSA-N 500.598 4.499 10 10 KICE COc1ccccc1OCCOc1ccc([N+](=O)[O-])cc1/C=C1\C(=N)N2N=C(C(C)C)SC2=NC1=O 33592278 XJZYBSZTLZGVIQ-IXLJKPNMSA-N 509.544 4.336 10 10 KICE CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1ccccc1 35332477 GRIIHXCIHDNGAX-CBEFOCLBSA-N 509.631 4.002 10 10 KICE CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1cccc(OC)c1 103753462 KYJQSBOVNODLEH-RFZPLYKNSA-N 539.657 4.010 10 10 KICE CCN(CC)C(=O)COc1ccc(/C=C2/SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1 1858590119 XXQSPKYPAIACGC-XQNSMLJCSA-N 514.669 4.395 10 10 KICE CCOC(=O)c1c(NC(=O)C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)sc(C)c1-c1ccc(F)cc1 1860758088 AFUYEGFKGZWTKR-UHFFFAOYSA-N 533.622 4.494 10 10 KICE CCCOc1ccccc1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862059618 VWHRMFJKJUUBFX-MHZLTWQESA-N 501.627 4.174 10 10 KICE COc1ccc(CCNC(=O)C2=C(N)Oc3c(c(C)nn3Cc3ccc(C)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1 1864008697 QACDYAZMPLKCAR-MHZLTWQESA-N 540.620 4.022 10 10 KICE CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)c1ccc(OC)c(OC)c1)=C(N)O2 1864013893 IHJNSBSCCZRQKB-GYCJOSAFSA-N 536.629 4.246 10 10 KICE C[C@@H](NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2C)[C@H]1c1ccc(O)c(O)c1)C12CC3CC(CC(C3)C1)C2 1864014942 GPLGINGGRSNJJO-QWJGVIPHSA-N 532.563 4.266 10 10 KICE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCc1ccc(OC)cc1)[C@@H]2c1ccc(O)c(O)c1 1864016392 NXELUQDPPUUXAM-HSZRJFAPSA-N 512.566 4.001 10 10 KICE CCCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](C)C1)=C(N)O2 1865030376 ISFCEPCXMRUIHI-BXKMTCNYSA-N 520.605 4.387 10 10 KICE NC1=C(C(=O)N2CCCCCC2)[C@@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3ccccc3)c2O1 1865031366 FJJWCOVCFKTCND-IBGZPJMESA-N 514.504 4.400 10 10 KICE O=C(Cn1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c2ccccc21)Nc1ccc(F)cc1 2294229445 UKGDDVQIKJTJKF-UHFFFAOYSA-N 516.529 4.390 10 10 KICE CCCN1C(=O)C(=Cc2c(N3CCN(c4ccccc4F)CC3)nc3ccc(C)cn3c2=O)SC1=S 2296342661 OEJUJIVWSOBLMO-UHFFFAOYSA-N 523.659 4.080 10 10 KICE Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CCN3C(=O)C(=Cc4ccccc4)SC3=S)cc2)n1 2297243962 IXTMVKZKJWMMSC-UHFFFAOYSA-N 553.691 4.124 10 10 KICE CCOc1cc(C=C2C(=O)NN(c3ccc(CC)cc3)C2=O)c(Br)c(Br)c1O 2297458364 ZRCOGZDXPHRBTI-UHFFFAOYSA-N 510.182 4.340 10 10 KICE COc1ccc(C2=NN(Cc3ccc(F)cc3)C(=O)C2=Cc2ccc(OCCN3CCOCC3)c(OC)c2)cc1 2332106711 YCKGEOWSZDNNTR-UHFFFAOYSA-N 545.611 4.384 10 10 KICE CN(C)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3CCCCC3)=NC2=O)c1 35447494 GIDNXVBAFHWMCP-HAVVHWLPSA-N 521.668 4.246 10 10 KICE Cc1ccc2nc(NCc3ccc4c(c3)OCO4)c(/C=C3/SC(=S)N(Cc4ccco4)C3=O)c(=O)n2c1 102682776 CDOZWOKBJKFWDG-UFFVCSGVSA-N 532.603 4.338 10 10 KICE CCN(CC)C(=O)C1=C(N)Oc2c(c(C)nn2Cc2c(F)cccc2Cl)[C@@H]1c1ccc(O)c(O)c1 1865026028 IHVUHCTUVYJZLX-NRFANRHFSA-N 500.958 4.007 10 10 KICE CCc1ccc(-c2nc(CC(=O)N[C@](C)(CC)C(=O)N3CCN(c4ccc(OC)cc4)CC3)c(C)o2)cc1 1868993310 XGUIVGDVMVIPJD-SSEXGKCCSA-N 518.658 4.397 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(F)c(F)c3F)C(=O)N(CCN3CCOCC3)C2=O)cc1 1873425676 KIZNYRQDWIKNMI-UHFFFAOYSA-N 524.543 4.036 10 10 KICE COc1ccc([C@H](CNC(=O)CN2C(=O)C(=Cc3ccc(F)cc3)SC2=S)N2CCCCC2)cc1 2314625276 WKQFTSVDOYRZOA-QFIPXVFZSA-N 513.660 4.379 10 10 KICE CCOc1cc(C=C2SC(=S)N(CCCCCC(=O)OC)C2=O)ccc1OCC(=O)N1CCCCC1 2314755021 NUXSMIYJYAUJDT-UHFFFAOYSA-N 534.700 4.411 10 10 KICE O=C(O)CCN1C(=O)/C(=C/c2cc(Br)ccc2OCC(=O)Nc2ccc(F)cc2)SC1=S 101964764 YEIMEPZZGBHRRX-YVLHZVERSA-N 539.404 4.282 10 10 KICE COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCc1cccc(C(=O)O)c1 103874988 ZXNLAYKWPFOOIN-NDENLUEZSA-N 551.349 4.401 10 10 KICE Cc1ccc(CN2C(=O)/C(=C/c3c(N4C[C@H](C)O[C@@H](C)C4)nc4ccc(C)cn4c3=O)SC2=S)cc1 1772719141 NXESMZMLIYNDCQ-ATSGOFTJSA-N 520.680 4.326 10 10 KICE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccn1)=C(N)O2 1864009792 DTHFQYVCPCNQMA-HSZRJFAPSA-N 532.000 4.295 10 10 KICE CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cccs1)=C(N)O2 1864011775 YEDNEXYDRXHRIZ-QHCPKHFHSA-N 516.623 4.351 10 10 KICE CCCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)C13CC4CC(CC(C4)C1)C3)=C(N)O2 1864012537 CKNOGMQBUOGAQP-YMIDIQKJSA-N 506.647 4.200 10 10 KICE COc1ccc(-c2nn(C)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)NC24CC5CC(CC(C5)C2)C4)=C(N)O3)cc1 1864021706 FTTSMKXKBBPQRG-ZCGOIYLRSA-N 542.636 4.287 10 10 KICE CC(C)[C@H](C(=O)N[C@@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(Br)cc1 1866977868 XILJGFLOYICKPW-GOTSBHOMSA-N 549.421 4.080 10 10 KICE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1 2293115925 OVLGWYCLMFOZST-HXUWFJFHSA-N 525.677 4.326 10 10 KICE COc1cc(C=C2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc(C(=O)O)cc1 2294229109 VDLPJLHEBCLWGU-UHFFFAOYSA-N 522.966 4.457 10 10 KICE COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)C2=C(C)Nc2ccc(Cn3cnnc3)cc2)cc1 2313683377 YPNKLZKDVZIPMS-UHFFFAOYSA-N 509.526 4.380 10 10 KICE Cc1ccc2nc(N3C[C@H](C)O[C@H](C)C3)c(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)c(=O)n2c1 33445638 KYODFNRUYBVFLI-OJIOPUPCSA-N 520.680 4.060 10 10 KICE CCCCCCN1C(=O)/C(=C\c2c(NCCCn3ccnc3)nc3c(C)cccn3c2=O)SC1=S 34259265 NDKXHCZKJBTSFH-CAPFRKAQSA-N 510.689 4.483 10 10 KICE CCOc1cc(/C=C2\C(=N)N3C(SCC)=NSC3=NC2=O)ccc1OS(=O)(=O)c1ccccc1 96459445 QVXDGNOLQKTSIG-ONNBZHDSSA-N 516.626 4.183 10 10 KICE COc1ccc(CCN2C(=O)/C(=C\c3c(N4C[C@H](C)O[C@H](C)C4)nc4ccc(C)cn4c3=O)SC2=S)cc1OC 100850392 BIVVFMPTSUFJKM-MMEPFNPESA-N 580.732 4.078 10 10 KICE COc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCc1ccc(Cl)c(Cl)c1 104558764 YVTZVDMDXYFWEF-WVIXDYEQSA-N 539.422 4.202 10 10 KICE Cc1cccn2c(=O)c(/C=C3\SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(NC[C@H](O)c3ccccc3)nc12 110555715 MCZGMDKTRVWJKE-FDJRJZQMSA-N 624.748 4.352 10 10 KICE COc1ccc(CCN2C(=O)/C(=C\c3c(N4CCN(Cc5ccc6c(c5)OCO6)CC4)nc4ccccn4c3=O)SC2=S)cc1 150421970 DUKXMFFXUPJUOB-TURZUDJPSA-N 641.775 4.198 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(C)C)c(Br)c3)c(=O)n2[C@@H]1c1ccc(Br)cc1 252676473 XEKMBHXIVNOCHQ-JOCHJYFZSA-N 605.352 4.389 10 10 KICE COc1ccc(/C=C2\SC(=S)N(CCC(=O)N(Cc3ccc([C@@H]4C[C@H]4C)o3)[C@H]3CCS(=O)(=O)C3)C2=O)cc1 256040120 CEUSTVFLZUWVAX-YKUYDBAYSA-N 574.746 4.219 10 10 KICE Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC13CC4CC(CC(C4)C1)C3)=C(N)O2 1864008729 QQKMVGRZOLLAHI-WQQPYGCBSA-N 526.637 4.431 10 10 KICE Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC(C)C)=C(N)O2 1864011658 JSZGSJLBGVFQMZ-HXUWFJFHSA-N 503.386 4.177 10 10 KICE CCCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccs1)=C(N)O2 1864012669 GEASEXFYIIDHIW-QHCPKHFHSA-N 516.623 4.368 10 10 KICE CCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@H](C)C1)=C(N)O2 1865035922 BQFWLWGWZMCFNX-DFXHWTJYSA-N 540.620 4.330 10 10 KICE CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1ccc(CC)cc1 1865495854 FFTJIVPYDQVJGX-AREMUKBSSA-N 515.658 4.216 10 10 KICE CC(C)C[C@H](CC(=O)N[C@@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(F)cc1 1867111397 YYDPVPAZHQDVKX-CLOONOSVSA-N 516.569 4.237 10 10 KICE CCOC(=O)[C@H]1CCCN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(-c3ccccc3)n2)C1 1867972306 NLOYXFUICCRHCV-QHCPKHFHSA-N 501.631 4.258 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCN(c5cccc(OC)c5)CC4)nc(-c4cccnc4)n3)CC2)cc1 1868004623 JELUGDZPFFSMEC-UHFFFAOYSA-N 537.668 4.209 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)[C@H](C)Oc4ccc(Cl)cc4)n(C(C)(C)C)n3)CC2)cc1 1869970519 MLYZWUGZYMMTNV-SFHVURJKSA-N 513.042 4.428 10 10 KICE N=c1[nH]nc(COc2cn(CCc3cnc[nH]3)c(CNc3ccc(Nc4ccccc4)cc3)cc2=O)s1 1871026504 NDOQETWGQPLMDP-UHFFFAOYSA-N 514.615 4.013 10 10 KICE CCc1ccccc1N=c1[nH]c(N2CCN(c3ccc(OC)cc3)CC2)nc(=NCc2cccc(C)c2)[nH]1 1871558245 VJLOKVFSNJBWKT-UHFFFAOYSA-N 509.658 4.277 10 10 KICE COc1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCCN(C)C)C2=O)cc1OC 1873168667 FHPCKDIZKLNLBT-UHFFFAOYSA-N 530.669 4.323 10 10 KICE Cc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCc3cnc[nH]3)C2=O)c([N+](=O)[O-])c1 1873426097 NVAHVHJJMSXDPZ-UHFFFAOYSA-N 510.554 4.469 10 10 KICE CCOC(=O)c1c(-n2c(C)cc(C=C3C(=O)NC(=O)N(Cc4ccco4)C3=O)c2C)sc2c1CCCC2 2313540609 JZVUXNMUSPDTJW-UHFFFAOYSA-N 521.595 4.466 10 10 KICE O=C1C(=Cc2cn(-c3ccccc3)nc2C23CC4CC(CC(C4)C2)C3)SC(=S)N1CCS(=O)(=O)O 2314475944 GCYFREADZZBJHB-UHFFFAOYSA-N 529.709 4.429 10 10 KICE C[C@@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C3SC(=S)N(CC(=O)O)C3=O)c2)C1 2314479249 ISMCMZUUUWZOAF-GOSISDBHSA-N 582.729 4.246 10 10 KICE CCOc1cc(C=C2SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)ccc1O[C@H](C)C(=O)O 2314935470 PICXFQUQKHRQCY-MRXNPFEDSA-N 539.635 4.141 10 10 KICE O=C1c2ccccc2C(=O)c2cc(NC(=O)C3CCN(C(=O)C=Cc4ccc([N+](=O)[O-])cc4)CC3)ccc21 2321911370 USITWOCAKUAEQG-UHFFFAOYSA-N 509.518 4.261 10 10 KICE COc1cccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(N5CCCCC5)cc4)c(=O)n32)c1 22861295 GJSDFJNWOSAYFV-CSJROMOCSA-N 531.678 4.186 10 10 KICE O=C1/C(=C\c2c(N3CCN(c4ccc(F)cc4)CC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccc2c(c1)OCO2 100860255 PKJLJQPOCDTWDI-PCLIKHOPSA-N 601.685 4.290 10 10 KICE COC(=O)c1ccc(C(=O)OC)c(N2C(=O)C(O)=C(c3cccc(OC)c3)[C@H]2c2ccc(N(C)C)cc2)c1 526602275 LZAFSQSDLLONNO-RUZDIDTESA-N 516.550 4.392 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1 1084287768 CUSMOROJVHQOOO-MHZLTWQESA-N 545.636 4.354 10 10 KICE Cc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccnc1)=C(N)O2 1864009996 HPNDCBVLIQUWTM-AREMUKBSSA-N 519.561 4.151 10 10 KICE Cc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1F)=C(N)O2 1864012227 UUJBOWXCSQUZSR-XMMPIXPASA-N 534.975 4.455 10 10 KICE CCc1nn(C)c2c1[C@@H](c1ccc(C(F)(F)F)cc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865557674 IQTAWADYNWPHLT-JOCHJYFZSA-N 541.574 4.053 10 10 KICE CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc[nH]1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865610118 DNLQXNHROATSDN-AREMUKBSSA-N 538.652 4.123 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)C[C@H](c3ccccc3)c3nnc(C)o3)CC2)cc1 1868890939 NIIZVRZTOHZMTC-WDYNHAJCSA-N 571.653 4.124 10 10 KICE CC(=O)NCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2cccc(C(F)(F)F)c2)C1=O 1873167045 QDEMSKFXOFYBCW-UHFFFAOYSA-N 524.543 4.119 10 10 KICE COc1ccc([N+](=O)[O-])cc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(C[C@@H]2CCCO2)C1=O 1873418815 BCAFLPIPNKDBQF-QFIPXVFZSA-N 516.554 4.382 10 10 KICE CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)NC34CC5CC(CC(C5)C3)C4)cc1C2=O 1873933731 DTZYTEQIPLFMEJ-UHFFFAOYSA-N 501.535 4.011 10 10 KICE COc1cc(C=C2C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCc1cccc(C(=O)O)c1 2294229415 RLTVVSHFSXGQJJ-UHFFFAOYSA-N 502.548 4.112 10 10 KICE CC[C@@](C)(NC(=O)C=Cc1ccc(Br)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2328571765 TVLMXHZVXSEELN-RUZDIDTESA-N 500.437 4.105 10 10 KICE CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(F)cc3)c2C)c2cc(S(=O)(=O)N3CCOCC3)ccc21 8778126 YRAAEFIRCRQLPP-XYGWBWBKSA-N 509.603 4.161 10 10 KICE COCCN(CC(=O)N1N=C(c2cccn2C)C[C@@H]1c1cc(OC)ccc1OC)C(=O)c1ccccc1Cl 103125571 PPTRALMLVHUEKB-RUZDIDTESA-N 539.032 4.162 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 252676167 WFEXIXVEPFOHAY-LJAQVGFWSA-N 615.708 4.311 10 10 KICE NC1=C(C(=O)NCCc2ccccc2)[C@@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3ccccc3)c2O1 1864014846 DXOITBWBHJVUPN-NRFANRHFSA-N 536.510 4.356 10 10 KICE CCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)c1ccccc1)=C(N)O2 1864017804 VOWGHPBBCDHSKT-NSYGIPOTSA-N 526.593 4.427 10 10 KICE CCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)c1ccc(OC)cc1)=C(N)O2 1864019965 SKONINBWWYHAMA-WXTAPIANSA-N 540.620 4.486 10 10 KICE CSCC[C@@H](NC(=O)c1ccc(F)c(F)c1F)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867812654 BLFSEJSWNMHHHU-DHIUTWEWSA-N 536.664 4.365 10 10 KICE CN(C)c1ccc([C@H](CNC(=O)C(C)(C)NC(=O)c2cc([N+](=O)[O-])ccc2Cl)N2CCCCC2)cc1 1867901801 MRTSHGBCUZPCKM-QHCPKHFHSA-N 516.042 4.166 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3cc(C4CC4)n4nc(-c5ccccc5)cc4n3)C(C)C)CC2)cc1 1869004669 SNPVODDGNMDVML-SSEXGKCCSA-N 552.679 4.386 10 10 KICE COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCC[C@@H]2C(=O)c2ccc(OC)c(C)c2)n1 1869108154 YGNAMIDUWWWTMU-AREMUKBSSA-N 545.684 4.169 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3nc4ccccc4[nH]3)C(=O)N(Cc3cccnc3)C2=O)cc1 1873169211 FLJXNAFJIKNUES-UHFFFAOYSA-N 516.605 4.478 10 10 KICE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)N3CCC[C@H](C)C3)n4Cc3ccco3)CC2)cc1 1873563022 DQLSLYCHWGVMDX-NRFANRHFSA-N 514.630 4.280 10 10 KICE CCOc1ccc(OCC(=O)Oc2ccc(C(=O)CCN3CCN(c4ccc(OC)cc4)CC3)cc2)cc1 1874746986 OUHPDTHHOLUAST-UHFFFAOYSA-N 518.610 4.473 10 10 KICE C[C@@H](C(=O)NCCCCCC(=O)O)N1C(=O)C(=Cc2cc(Br)cc(Br)c2O)SC1=S 2314837510 TVDDIVKJKYXJJX-JTQLQIEISA-N 580.320 4.268 10 10 KICE Cc1ccc(CN2C(=O)/C(=C3/SC(=S)N([C@H]4CCS(=O)(=O)C4)C3=O)c3cc(Br)ccc32)cc1 1812559 IPJVNJFCVNMXDO-QBNCKDSPSA-N 563.520 4.063 10 10 KICE CCOCCCN1C(=O)/C(=C\c2c(NCCc3ccccc3)nc3c(C)cccn3c2=O)SC1=S 33780916 DGCDMDHRAPNPPL-HEHNFIMWSA-N 508.669 4.285 10 10 KICE Cc1ccc(-c2ccc(/C=C3/SC(=S)N(NC(=O)CCN4CCCCC4)C3=O)o2)c([N+](=O)[O-])c1 35519039 IYGCWZYYSMKXOF-XSFVSMFZSA-N 500.602 4.272 10 10 KICE CCCn1c(N2CCN(c3ccccc3)CC2)c(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c(C)c(C#N)c1=O 110526732 REXNBYOCIJVLDZ-BUTHZZEHSA-N 563.749 4.145 10 10 KICE NC1=C(C(=O)NCCCO)[C@@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3cccc4ccccc34)c2O1 1864014799 CQPKOMQBCGACFL-SANMLTNESA-N 548.599 4.297 10 10 KICE Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)NCc2ccco2)[C@@H]3c2ccc(O)c(O)c2)cc1 1864014839 DKJWLPZKQATWCF-HXUWFJFHSA-N 540.498 4.274 10 10 KICE CCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(C)cc1)=C(N)O2 1864017071 DSNPRSBZCHQQNY-VWLOTQADSA-N 526.593 4.174 10 10 KICE CN(C)c1ccc([C@H](CNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)c2ccccc2)N2CCCCC2)cc1 1867772969 JOYYMJGIAODYSP-WDYNHAJCSA-N 514.670 4.143 10 10 KICE COCCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCO[C@@H](c3ccncc3)C2)n1 1868254714 YWGMTISZZRQNDD-XMMPIXPASA-N 521.577 4.157 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)c4ccccc4F)n(-c4ccc(OC)cc4)n3)CC2)cc1 1869970426 RNDPIQANUJYBDQ-UHFFFAOYSA-N 502.550 4.003 10 10 KICE COc1ccc(OCC(=O)Oc2cccc(C(=O)CCN3CCN(c4ccc(OC)cc4)CC3)c2)cc1 1874736627 OFQWQEFRQIDHKA-UHFFFAOYSA-N 504.583 4.083 10 10 KICE CCOC(=O)c1nn(Cc2cc(C(F)(F)F)ccc2O)c(C(F)(F)F)c1I 2079259152 RUYFBGPSBQHHLN-UHFFFAOYSA-N 508.156 4.456 10 10 KICE CC(C)S(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OCCOc4ccccc4Cl)cc3)C(=N)N21 2297345976 TVCZUYFUUVRPBC-UHFFFAOYSA-N 533.031 4.198 10 10 KICE O=C(CCCN1C(=O)/C(=C/c2ccccc2OC(F)F)SC1=S)Nc1ccc(O)c(C(=O)O)c1 16922732 DVJATCVSYJWBIE-YVLHZVERSA-N 508.524 4.312 10 10 KICE CS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(OCc4c(Cl)cccc4Cl)cc3)C(=O)N=C2S1 20207768 KRUQXUUHNUSHMW-GDGNHNJGSA-N 509.396 4.194 10 10 KICE Cc1ccc2nc(NC[C@@H](O)c3ccccc3)c(/C=C3/SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(=O)n2c1 101012893 BJRJCSKEPWCENM-RBWLTTHTSA-N 624.748 4.352 10 10 KICE CC[C@@H](C)N1C(=O)/C(=C\c2c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)nc3ccc(C)cn3c2=O)SC1=S 102391504 HLSUQXBCCVBOGN-ANRKENSESA-N 577.732 4.054 10 10 KICE COc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCc1ccc(Cl)cc1Cl 104558294 VOKFPYAKNLDKJO-KHHNAJNHSA-N 539.422 4.202 10 10 KICE CCc1cccc(CC)c1N1C(=O)[C@H]2[C@H](C1=O)[C@](Cc1ccccc1)(C(=O)O)N[C@H]2c1ccc(N(C)C)cc1 248034049 ITSFEZCUVYRWDX-ACIRYHQQSA-N 525.649 4.394 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 1084457725 WRBBMWLXAJSUSW-AREMUKBSSA-N 558.616 4.033 10 10 KICE CCc1sc(NC(=O)C(=O)N[C@@H](CC(C)C)C(=O)O)c(C(=O)OC)c1-c1ccc(Br)cc1 1860764015 WKJVFIUCYUWZCK-AWEZNQCLSA-N 525.421 4.081 10 10 KICE CCCC[C@@H](NC(=O)c1ccc2nc(CC(C)C)[nH]c2c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862108481 WNNBTOJELMCMLG-RUZDIDTESA-N 505.663 4.407 10 10 KICE CCN(CC)CCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2cccc(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1864008261 GSJWYETWJNYZGQ-XMMPIXPASA-N 540.064 4.178 10 10 KICE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN(C)C)=C(N)O2 1864012882 LKINDUBIGLYUJF-AREMUKBSSA-N 547.700 4.065 10 10 KICE Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCc1cn(C)c3ccccc13)[C@H]2c1ccc(O)c(O)c1 1864016359 NCHAXDVNURGJCW-VWLOTQADSA-N 535.604 4.044 10 10 KICE CCCCCCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2CC)[C@H]1c1ccc(O)c(O)c1 1864017040 CYSKISPIIXBGKF-JOCHJYFZSA-N 506.603 4.381 10 10 KICE COc1ccc(-c2nn(CC(C)C)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)NCc2ccco2)=C(N)O3)cc1 1864017308 JLERWJLTKCYDNB-HSZRJFAPSA-N 530.581 4.230 10 10 KICE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCC1)=C(N)O2 1864018999 UBFISSVTPRPIIW-QFIPXVFZSA-N 526.996 4.451 10 10 KICE CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(Cc3cccc(C)c3)CC1)=C(N)O2 1865030128 CXEOGFABEZRGKN-AREMUKBSSA-N 545.684 4.004 10 10 KICE O=C(N[C@H](Cc1ccc(O)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(C2CC2)on1 1867151854 PWZFAORRUUCSBJ-HSZRJFAPSA-N 521.529 4.013 10 10 KICE Cn1nc(C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1-c1ccco1 1867252887 NVEAHLDVDIJTON-XMMPIXPASA-N 544.567 4.435 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccn3)c3ccccc3)CC2)cc1 1868668032 POGJEVFBGKHEQR-ACHIHNKUSA-N 548.687 4.493 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCO[C@H](c5ccc(Br)cc5)C4)nc(C)n3)CC2)cc1 1869294450 JJNXTYWEVWHNNW-DEOSSOPVSA-N 524.463 4.461 10 10 KICE COc1ccc(N2CCN(c3nc(=NCC(C)C)nc(Nc4ccc(Br)cc4)[nH]3)CC2)cc1 1871471332 WLNPPAWXDDLENO-UHFFFAOYSA-N 512.456 4.203 10 10 KICE CCN(CC)CCN1C(=O)C(Nc2ccc(CC(=O)OC)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873426011 RNHGJIXSKHJVMC-UHFFFAOYSA-N 528.653 4.343 10 10 KICE COc1ccc(N2CCN(c3ncnc4c3ccc(=O)n4-c3ccc(Br)c(C)c3)CC2)cc1 1873532339 IPGLNHJAZZUVAX-UHFFFAOYSA-N 506.404 4.187 10 10 KICE CCOC(=O)c1ccc(N2C(=O)C[C@@H](N3C(=O)C(=Cc4ccc(Cl)cc4)SC3=S)C2=O)cc1 2296732954 FUHIUOJBVQGWJX-QGZVFWFLSA-N 500.985 4.050 10 10 KICE CC1(C)C=C(CSc2nnc(-c3ccncc3)o2)c2cccc3c2N1C(=O)C3=C1SC(=S)NC1=O 2297632347 YZZTURKRXQRKCJ-UHFFFAOYSA-N 519.633 4.305 10 10 KICE O=C(O)CN1C(=O)C(=Cc2c(Oc3ccc(Cl)cc3Cl)nc3ccccn3c2=O)SC1=S 2314509903 ZOHBRPYSSNDUFJ-UHFFFAOYSA-N 508.364 4.079 10 10 KICE C[C@@H](C(=O)Nc1ccc(C(=O)O)cc1)N1C(=O)C(=Cc2cc(Br)ccc2O)SC1=S 2314836103 ABXQHXFNLSKNTA-JTQLQIEISA-N 507.387 4.081 10 10 KICE CC1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3/SC(=S)N([C@H]4CCS(=O)(=O)C4)C3=O)c2)CC1 150657852 JMAHJLMJLUULOJ-MSIOFZDNSA-N 642.850 4.348 10 10 KICE Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccc(F)cc4)C3=O)c(N3C[C@H](C)O[C@@H](C)C3)nc12 1772719138 JMEFQFFUYRVHLZ-FPHNSIFGSA-N 524.643 4.157 10 10 KICE CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccn1)=C(N)O2 1864011570 VLLPKGGTLBNCSC-HSZRJFAPSA-N 532.000 4.295 10 10 KICE CCCCC[C@@H](CC)NC(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccccn2)[C@H]1c1ccc(O)c(O)c1 1864019391 XXQSMJKYMYAJDB-WZONZLPQSA-N 505.619 4.411 10 10 KICE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)NCC(C)C)=C(N)O3)cc1 1864021656 FAMWPKRSTDJALW-RUZDIDTESA-N 540.620 4.485 10 10 KICE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N(C)Cc1ccccc1)[C@@H]2c1ccc(O)c(O)c1 1865033887 JUBLZXKZXWMHDY-LJQANCHMSA-N 516.520 4.322 10 10 KICE CCCN(CCC)C(=O)C1=C(N)Oc2c(c(CC)nn2Cc2ccc(F)cc2)[C@@H]1c1ccc(O)c(O)c1 1865035235 ORQOABCEKIMMHF-QHCPKHFHSA-N 508.594 4.387 10 10 KICE CCCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N([C@H](CC(C)C)C(=O)O)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867473989 ZWRSOTBBZVAECB-YPKYBTACSA-N 647.817 4.480 10 10 KICE COc1ccc(OCCNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C[C@H]3CCCO3)C2=O)cc1 1873165412 NLQDHXDKYKLJCO-AREMUKBSSA-N 515.610 4.030 10 10 KICE Oc1ccc(F)cc1Cn1nc(I)c(I)c1C(F)(F)F 2079208480 RYVWTUHBORIFIV-UHFFFAOYSA-N 511.982 4.004 10 10 KICE COc1cc(C=C2C(=O)NC(=O)N(Cc3ccccc3)C2=O)cc(OC)c1OCCOc1ccc(C)c(C)c1 2293250308 UINDMOYVECCUFN-UHFFFAOYSA-N 530.577 4.440 10 10 KICE CCOC(=O)c1ccc(NC(=O)CN2C(=O)C(=C3SC(=S)N(CCCCCC(=O)O)C3=O)c3ccccc32)cc1 2296711369 SAGWUEOAJFGARX-UHFFFAOYSA-N 581.672 4.065 10 10 KICE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3cc(Cl)c(OCc4ccc(C)cc4)c(OC)c3)C(=N)N21 104560987 YIHVTPGBVVXQNQ-UOSKESRZSA-N 533.031 4.247 10 10 KICE CCOCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2NCc2ccc3c(c2)OCO3)SC1=S 143248174 JLVCASPJXNIWOC-UUYOSTAYSA-N 540.667 4.017 10 10 KICE CCOC(=O)CCCCCN1C(=O)/C(=C/c2ccc(OCC(=O)N(CC)CC)c(OC)c2)SC1=S 206719810 BESIMEXCFWPDTK-PGMHBOJBSA-N 522.689 4.267 10 10 KICE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)NCc2ccc(F)cc2)[C@@H]3c2ccc(O)c(O)c2)cc1 1864008096 BRHONHSBHZCKRG-RUZDIDTESA-N 514.557 4.110 10 10 KICE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cccs1)=C(N)O2 1864010394 MBSPOGJGLITMJK-DEOSSOPVSA-N 546.649 4.360 10 10 KICE Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC(C)C)=C(N)O2 1864010506 UYCXQNQDWZSKCY-HSZRJFAPSA-N 545.011 4.069 10 10 KICE CCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(C)c1)=C(N)O2 1864018154 DNRMBVGKAOEBNR-RUZDIDTESA-N 528.584 4.364 10 10 KICE CCC[C@@H](NC(=O)[C@H](Cc1ccccn1)c1ccccc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868663833 KKKFCZXVMBSHDQ-VSGBNLITSA-N 500.643 4.050 10 10 KICE CCC[C@@H](NC(=O)CCC(=O)N1CCC[C@H]1c1nc2ccccc2s1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868894229 KAICUHIZHWBWND-FTJBHMTQSA-N 577.751 4.382 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3nc(C(F)(F)F)n4ccccc34)c3ccccc3)CC2)cc1 1869069605 VQWFMAYELHTLRY-HSZRJFAPSA-N 537.542 4.182 10 10 KICE COCCc1nc(N2CCN(CCc3cccc(Cl)c3)CC2)cc(N2CCN(c3ccc(OC)cc3)CC2)n1 1869106802 HXKBSVOWVHMCKE-UHFFFAOYSA-N 551.135 4.019 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)n(-c4ccccc4)n3)CC2)cc1 1869970394 PPRMRXMVUHEUOM-XNTDXEJSSA-N 525.569 4.163 10 10 KICE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4c(C)cccc4C)cn3CCCN(C)C)CC2)cc1 1870490220 VCDQYGAGEMVHHY-UHFFFAOYSA-N 518.702 4.327 10 10 KICE COc1ccc(N2CCN(C(=O)c3ccc(CNS(=O)(=O)c4cccc(C(F)(F)F)c4)cc3)CC2)cc1 1892142872 AMECKSZMHMAPTJ-UHFFFAOYSA-N 533.572 4.155 10 10 KICE O=C1NC(=O)N(c2ccc(C3C4CC5CC(C4)CC3C5)cc2)C(=O)C1=Cc1ccc(N2CCOCC2)o1 2297561934 CWZHAHRYKZSUOS-UHFFFAOYSA-N 501.583 4.322 10 10 KICE CC1(C)C=C(CN2CCN(c3ccccc3)CC2)c2cc(F)cc3c2N1C(=O)C3=C1SC(=S)NC1=O 2297632344 UHHRZZNLPKOXGR-UHFFFAOYSA-N 520.655 4.029 10 10 KICE NS(=O)(=O)c1ccc(NC(=O)CCCCCN2C(=O)/C(=C/c3cccc(Br)c3)SC2=S)cc1 101969302 SBEPQEGYNDSHEV-RGEXLXHISA-N 568.540 4.497 10 10 KICE CCc1cccc(CC)c1N1C(=O)[C@H]2[C@H](C1=O)[C@](C(=O)O)(c1ccccc1)N[C@H]2c1ccc(N(C)C)cc1 248015154 CUVCDINPKFLNCD-XZSHTLEFSA-N 511.622 4.308 10 10 KICE Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1/C=C1/C(=O)NC(=O)N(c2ccc(Br)c(C)c2C)C1=O 1084518554 XFQQVUSDKCBQDK-ODLFYWEKSA-N 538.358 4.443 10 10 KICE C[C@H](NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2C)[C@@H]1c1ccc(O)c(O)c1)c1ccc2c(c1)CCCC2 1864014848 DXYLXALWEUMSDG-RBZFPXEDSA-N 528.531 4.301 10 10 KICE CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1sccc1C 1865343025 HKOFQLSKKVRJOQ-QHCPKHFHSA-N 521.687 4.277 10 10 KICE C[C@H](NC(=O)CCN(Cc1cccnc1)C(=O)OC(C)(C)C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867081306 UYJNBJSGZQTKLV-IBGZPJMESA-N 556.619 4.128 10 10 KICE CSCC[C@H](NC(=O)c1cc(-c2cccnc2)on1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867166129 PMLGVJGJNRVSQO-NRFANRHFSA-N 526.574 4.002 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)c3cc(-c4ccc(C)c(C)c4)n(C)n3)CC2)cc1 1868754995 FVVZPDXSQOSJLV-SSEXGKCCSA-N 567.690 4.108 10 10 KICE COc1ccc(N2CCN(C(=O)c3cc4c(NCCCCCCO)ncnc4n3CC(C)C)CC2)cc1 1875208616 RVBANDLSOMQTCG-UHFFFAOYSA-N 508.667 4.023 10 10 KICE COC(=O)c1c(-n2c(C)cc(C=C3C(=O)N(C)c4ccc(S(=O)(=O)N5CCOCC5)cc43)c2C)sc2c1CCCC2 2297508808 MCAHHXAYYMXNPJ-UHFFFAOYSA-N 595.743 4.359 10 10 KICE CCOc1c(I)cc(C=C2C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1OC 2297578567 XUUGSURDDRZWJO-UHFFFAOYSA-N 526.714 4.018 10 10 KICE O=C1[C@H]2[C@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc(Br)cc1 101076077 DSJBJCIWKMIGGD-HKBOAZHASA-N 502.320 4.144 10 10 KICE Cc1ccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2Cl)cc1C 101398010 HBJMMDPTYZPOGL-BVDVPRQSSA-N 533.031 4.036 10 10 KICE CCOC(=O)CCCCCN1C(=O)/C(=C\c2ccc(OCC(=O)N3CCCCC3)c(OC)c2)SC1=S 101731992 YVBNFNYKXTYUDB-OQKWZONESA-N 534.700 4.411 10 10 KICE COc1ccc(N2CCN(c3nc4ccccn4c(=O)c3/C=C3/SC(=S)N(CCc4ccccc4)C3=O)CC2)cc1 102684874 CJESJCXMEJVDBX-YYADALCUSA-N 583.739 4.474 10 10 KICE COc1ccc(N2CCOCC2)cc1C(=O)N1CCC2(CCCCc3ccccc3O[C@H](C)C(=O)NC2)CC1 643562673 YWJBCNNMQQVJRY-HSZRJFAPSA-N 535.685 4.064 10 10 KICE Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccco1)=C(N)O2 1864010097 PEUQLXUFKWAZOE-QFIPXVFZSA-N 524.936 4.048 10 10 KICE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN(CC)CC)=C(N)O2 1864012880 LJVWMBCQAZFHNF-AREMUKBSSA-N 547.700 4.146 10 10 KICE CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H]1CCCO1)=C(N)O2 1864013827 HAWAIHSDHZPZOB-FQRUVTKNSA-N 540.620 4.379 10 10 KICE CCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1)=C(N)O2 1864018075 BXROHHKZQSQPQY-XMMPIXPASA-N 514.557 4.055 10 10 KICE CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H]1CCCC[C@H]1C)=C(N)O2 1864018221 GCQXBNFKBJJQAR-YOJAFSQSSA-N 520.605 4.434 10 10 KICE CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC13CC4CC(CC(C4)C1)C3)=C(N)O2 1864021125 KOXHJVJMECZCKI-DPYMPBHMSA-N 506.647 4.292 10 10 KICE CCCC[C@@H](NC(=O)Cc1ccc2c(c1)OCCO2)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866606710 NZXCMXXPKOQHGL-HSZRJFAPSA-N 512.562 4.089 10 10 KICE CC(=O)Oc1ccc(C[C@H](NC(=O)[C@@H](c2ccccc2)N(C)C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 1866697358 FIQIMXBXXDLOEK-IGYGKHONSA-N 589.648 4.356 10 10 KICE COCCCN1C(=O)c2ccc(C(=O)N[C@@H](Cc3ccccc3)C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O 1867517457 DVJDINQDCHTQAF-LQJZCPKCSA-N 639.797 4.070 10 10 KICE CSCC[C@H](NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867848436 JYEDIQLBEASIAT-JYFHCDHNSA-N 586.715 4.072 10 10 KICE CCCCCCn1cc(OCC(=O)N[C@@H](C)CC)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870529277 FQXFPBMRTKZBME-QHCPKHFHSA-N 512.695 4.053 10 10 KICE CCOc1cc(C=C2C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)ccc1OCc1ccccc1 2296053637 QVNOEKUDRRLLLW-UHFFFAOYSA-N 517.611 4.296 10 10 KICE CCOC(=O)[C@@H](C(=O)C(=O)Nc1c(F)cc(F)cc1Br)c1nc2ccc3c(c2nc1O)C(=O)c1ccccc1C3=O 150670303 DKYPNRIAYRRYDA-LJQANCHMSA-N 624.350 4.006 10 10 KICE Cc1ccc(/C=C2/SC(=S)N(CC(=O)N(Cc3ccc([C@@H]4C[C@@H]4C)o3)[C@H]3CCS(=O)(=O)C3)C2=O)cc1 1615296237 XKTYEIZRQAHNLO-SBOVYWPYSA-N 544.720 4.129 10 10 KICE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOCC)=C(N)O2 1864010012 HVRIQLIZCLQCFI-JOCHJYFZSA-N 527.021 4.127 10 10 KICE CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1Cl)=C(N)O2 1864012975 NGPQBEMTOISRJD-QHCPKHFHSA-N 532.000 4.295 10 10 KICE CCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cccs1)=C(N)O2 1864018764 CGCQFCRFSIBLND-DEOSSOPVSA-N 530.650 4.328 10 10 KICE CCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)c1ccccc1)=C(N)O2 1864019617 NJWXKFGAYCMEIX-BVZFJXPGSA-N 510.594 4.477 10 10 KICE CCc1ccc([C@@H](C)NC(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3CC)[C@@H]2c2ccc(O)c(O)c2)cc1 1864022033 JEPVDNKGOKJZQQ-YJYMSZOUSA-N 516.520 4.467 10 10 KICE CC[C@@H](NC(=O)c1ccc2nc(C)c(C)nc2c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867683755 AMYNGMRLNQXPHZ-LEAFIULHSA-N 516.690 4.164 10 10 KICE COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCc3cc(OC)ccc3[C@H]2C)n1 1869108968 KPHLOXQFOFDLDU-OAQYLSRUSA-N 503.647 4.133 10 10 KICE CCc1ccc([C@H]2CN(c3cc(N4CCN(c5ccc(OC)cc5)CC4)nc(CCOC)n3)CCO2)cc1 1869114869 OYSXDMFZFOSYNO-HHHXNRCGSA-N 517.674 4.141 10 10 KICE CCN(CC)CCN1C(=O)C(Nc2ccccc2N2CCOCC2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873425655 JWFJYXNCPLGYEY-UHFFFAOYSA-N 541.696 4.465 10 10 KICE CCCn1c(C(=O)NCCc2ccc(F)cc2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873571892 JDNZPWANBSXJBE-UHFFFAOYSA-N 516.621 4.288 10 10 KICE CCN(CC)C(=O)COc1ccc(C=C2SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)cc1OC 2314765262 YWDNYBWWSKKLCI-UHFFFAOYSA-N 534.059 4.142 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H]3c4cc(OC)c(OC)cc4C(=O)N(C)[C@H]3c3ccccc3F)CC2)cc1 4760723 BYFQUMJVTKNWJO-IZLXSDGUSA-N 533.600 4.111 10 10 KICE CC[C@H](C)N1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2NCCc2ccc(OC)c(OC)c2)SC1=S 40066574 COQQSIAAWDBSEZ-PXNCGERRSA-N 526.684 4.237 10 10 KICE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3\SC(N4CCC(C(N)=O)CC4)=NC3=O)c2)C1 101014251 ZQUSOGAKBSXZNZ-MPYTWRFLSA-N 632.812 4.374 10 10 KICE O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 150449471 NFIPCGYYDKSEIR-SXBRIOAWSA-N 654.818 4.348 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 252669237 GYFZJOGOXXZNFX-AREMUKBSSA-N 558.616 4.033 10 10 KICE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCCOc2cc(C)cc(C)c2)[C@@H]3c2ccc(O)c(O)c2)cc1 1864008110 CBFMXEDCSYCXHG-HHHXNRCGSA-N 540.620 4.407 10 10 KICE Cc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)c1ccccc1)=C(N)O2 1864011491 IJODAMRBEWFJTQ-CPJLOUKISA-N 514.557 4.362 10 10 KICE CCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2Cl)[C@H]1c1ccc(O)c(O)c1 1864015916 GNBKSXPXWKWOHI-JOCHJYFZSA-N 516.985 4.494 10 10 KICE NC1=C(C(=O)N2CCCC2)[C@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(Cc3cccc(Cl)c3)c2O1 1865033644 FLWLYDUXQLDQGL-GOSISDBHSA-N 534.922 4.332 10 10 KICE C[C@H](NC(=O)CCN(Cc1ccncc1)C(=O)OC(C)(C)C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867085094 IXSCJAOWXKZATN-IBGZPJMESA-N 556.619 4.128 10 10 KICE CC(=O)Oc1ccc(C[C@@H](NC(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867795663 NPVRXUFCULLAKB-NDKRRWIDSA-N 644.773 4.337 10 10 KICE COC(=O)c1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCOC(C)C)C2=O)cc1 1873165599 QOFKQZUMWAMEQI-UHFFFAOYSA-N 515.610 4.175 10 10 KICE CCN(CC)CCCN1C(=O)C(NCC2CCC(C(=O)OC)CC2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873170969 YQJWVFLCHGQWTI-UHFFFAOYSA-N 548.728 4.475 10 10 KICE COc1cc(C=C2C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OC(=O)c1ccc(F)cc1 2297499404 BADUDYGZHIMOKA-UHFFFAOYSA-N 501.499 4.116 10 10 KICE C[C@H](O)[C@H](C(=O)O)N1C(=O)C(=Cc2cn(CCOc3ccc(Cl)cc3)c3ccccc23)SC1=S 2318683322 BXKQZEBBEMYYJH-LHSJRXKWSA-N 517.028 4.409 10 10 KICE CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)ccc1OCCC(=O)O 16919745 YVIUGYXIZUMRPH-LDADJPATSA-N 506.989 4.138 10 10 KICE CN(C)c1ccc([C@H]2Nc3ccc(Br)cc3C(=O)N2NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 39920689 GPTFPOQTLPEZIZ-NRFANRHFSA-N 510.348 4.335 10 10 KICE CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(Cl)cc1)=C(N)O2 1864014606 ZDUCJZRPWXWLCK-JOCHJYFZSA-N 511.022 4.364 10 10 KICE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4C)[C@@H]3c3ccc(Cl)c(Cl)c3)CC2)cc1 1865167261 NZKAZWKAKSNFNC-QFIPXVFZSA-N 528.440 4.087 10 10 KICE CC[C@H](NC(=O)c1nc(C(F)(F)F)n2ccccc12)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867287413 OFHUDFDGAOUHLQ-KRWDZBQOSA-N 520.467 4.276 10 10 KICE COc1cccc(OC)c1C(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867369115 QYGWCPBCFUXOBP-WUFINQPMSA-N 558.723 4.454 10 10 KICE COc1cccc(C(=O)N[C@H](Cc2ccccc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867385160 YNDPQZXVPPMRFP-LOYHVIPDSA-N 528.697 4.446 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NC3CCN(Cc4ccccc4)CC3)C(=O)N(CCc3cnc[nH]3)C2=O)cc1 1873162521 ZGOHYBZEGIJUMG-UHFFFAOYSA-N 548.691 4.394 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCCCn3ccnc3)C(=O)N(CCc3nc4ccccc4[nH]3)C2=O)cc1 1873168219 NCMQUMHUKJOSOW-UHFFFAOYSA-N 533.636 4.169 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NC3CCN(C)CC3)C(=O)N(CCc3ccc(F)cc3)C2=O)cc1 1873170940 XIGXNHWBFYVKBB-UHFFFAOYSA-N 500.618 4.240 10 10 KICE CC(=O)NCCN1C(=O)C(Nc2cccc(OCC(C)C)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873424869 XPTQTKNTYQFCPN-UHFFFAOYSA-N 514.626 4.457 10 10 KICE O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)[C@H]1CCCCN1S(=O)(=O)c1ccc(Br)cc1 1892138523 SBDKCVJSFTZKCA-NGYIFUPDSA-N 532.504 4.297 10 10 KICE COc1ccc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1COc1ccc(NC(C)=O)cc1 2295872367 QBSIRRDZRBBXQW-UHFFFAOYSA-N 503.486 4.038 10 10 KICE COc1cc(C=C2SC(=S)N(NC(=O)c3ccccc3Br)C2=O)cc(OC)c1OC 2296764762 NGQOWFBOYQKQRE-UHFFFAOYSA-N 509.403 4.021 10 10 KICE Cc1cc(C=C2C(=O)N(C)c3ccc(S(=O)(=O)N4CCOCC4)cc32)c(C)n1-c1ccc(Br)cc1 2297508910 XXBFNKNIUPBFSC-UHFFFAOYSA-N 556.482 4.395 10 10 KICE CCCCn1c(N2C[C@@H](C)C[C@@H](C)C2)c(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)c(C)c(C#N)c1=O 39990495 URSIVIKUNGWXHQ-POKCEJIYSA-N 530.716 4.377 10 10 KICE O=C(O)COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(OCc4ccccc4)cc3)C2=O)cc1 59815028 VJSJMFIOBPXJPT-HYARGMPZSA-N 520.588 4.275 10 10 KICE CCCC[C@@H](CC)CN1C(=O)/C(=C\c2c(N3CCN(C(=O)OCC)CC3)nc3ccccn3c2=O)SC1=S 100849789 VWEQLHWJIPBVTF-OXMAITBSSA-N 557.742 4.391 10 10 KICE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c(C)c1 102836234 ICROHRFYGWHVEZ-PPRFWAEMSA-N 525.677 4.245 10 10 KICE Cc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cccs1)=C(N)O2 1864011915 MUTHPOUHDHQKTG-QHCPKHFHSA-N 537.041 4.419 10 10 KICE CCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1c(F)cccc1Cl 1865145212 LLXDVBLVPCOTBK-HSZRJFAPSA-N 526.012 4.056 10 10 KICE O=C(C[C@H](c1ccccc1)c1cccc(F)c1)N[C@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866772453 NSFPWXHRARHVBA-XNMGPUDCSA-N 536.559 4.239 10 10 KICE COc1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc(OC)c1OC 1867336163 HXELKLRRFWKUTG-URLMMPGGSA-N 588.749 4.463 10 10 KICE COCCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCNC(=O)[C@@H]2c2ccc(F)cc2)n1 1868254662 XKARGMPPIHPKCU-NDEPHWFRSA-N 551.578 4.001 10 10 KICE COc1ccc(N2CCN(c3cc(N(Cc4ccccc4)C(=O)[C@@H]4CCCN4)nc(-c4cccnc4)n3)CC2)cc1 1869358287 PKVYOLZJJNXHAP-NDEPHWFRSA-N 549.679 4.159 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)n(-c4ccccc4)n3)CC2)cc1 1869970783 PXMWJMQLRCLHGF-UHFFFAOYSA-N 513.558 4.071 10 10 KICE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccccc4C)cn3CCCN(C)C)CC2)cc1 1870629248 HRGDKRBLIFBACD-UHFFFAOYSA-N 504.675 4.018 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCCCN3CCOCC3)C(=O)N([C@H](C)c3ccccc3)C2=O)cc1 1873169327 JYMBYVWOHUOFMV-XMMPIXPASA-N 512.654 4.247 10 10 KICE CC(=O)NCCN1C(=O)C(Nc2ccc(C)c(Br)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422178 JXXSOLPWZLYBAB-UHFFFAOYSA-N 535.442 4.493 10 10 KICE CCOC(=O)Cn1cc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c2ccccc21 2294229378 OHNYAZPKPWWAJZ-UHFFFAOYSA-N 502.379 4.343 10 10 KICE COc1ccc(CCN2C(=O)C(=Cc3c(N4C[C@H](C)O[C@@H](C)C4)nc4ccc(C)cn4c3=O)SC2=S)cc1OC 2314399677 BIVVFMPTSUFJKM-OALUTQOASA-N 580.732 4.078 10 10 KICE CC1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3\SC(N4CCC(C(N)=O)CC4)=NC3=O)c2)CC1 101013489 YXOPWFPKRXWNSF-DIBXZPPDSA-N 618.785 4.128 10 10 KICE N=C1/C(=C\c2ccc(OCc3ccc(F)cc3)cc2)C(=O)N=C2SC(CC(=O)N3CCCCC3)=NN12 102475127 ULQZFGHISGXFIN-AHXGQMSJSA-N 505.575 4.426 10 10 KICE COc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(N(C)C)cc2)C(C(=O)Nc2ccccc2C)=C(C)N=3)cc1 103254108 IHIKPMIWPXWBDH-FHMSYZJOSA-N 538.673 4.257 10 10 KICE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1c[nH]c3ccccc13)=C(N)O2 1864013454 BLZXHADLRYDDBK-VWLOTQADSA-N 529.641 4.438 10 10 KICE COc1ccc(-c2nn(C)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)NC24CC5CC(CC(C5)C2)C4)=C(N)O3)cc1 1864021704 FTTSMKXKBBPQRG-GQAFUBENSA-N 542.636 4.287 10 10 KICE CN(Cc1ccccc1)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccn2)[C@H]1c1ccc(O)c(O)c1 1865034245 SAFCADAPIANTCT-HXUWFJFHSA-N 537.498 4.051 10 10 KICE COc1ccc([C@H](CC(=O)N[C@H](CO)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C(C)C)cc1C 1866772384 SCLJDSRWWRCHDJ-ILBGXUMGSA-N 528.605 4.025 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](CSCc3ccccc3)NC(=O)Cc3sc(C)nc3C)CC2)cc1 1868581545 BWFKUVBBTHTPIF-RUZDIDTESA-N 538.739 4.078 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(OC(C)=O)cc3)NC(=O)[C@@H](C)Cc3ccc(F)cc3)CC2)cc1 1868763889 MWCCHZJJWCPQTC-SMSORMJASA-N 561.654 4.015 10 10 KICE CC[C@@](C)(NC(=O)[C@@H](c1ccc(OC)c(OC)c1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868860523 QROXTTMVWWQQTE-GGXMVOPNSA-N 511.663 4.086 10 10 KICE CCCCCOC(=O)COc1cn(CCCCC)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870421716 LYWGNMAYJJEICP-UHFFFAOYSA-N 513.679 4.482 10 10 KICE COC(=O)c1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCOC(C)C)C2=O)c1 1873419800 ANZNORNCQNSCOB-UHFFFAOYSA-N 501.583 4.498 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)c3cc(C)cc(C)c3)CC2)cc1 1874642372 CHQZUPNPOUHYIR-GDLZYMKVSA-N 510.638 4.483 10 10 KICE COC(=O)c1c(C(F)(F)F)nn([C@@H](c2ccc(OC)cc2O)C2(C)CC2)c1I 2079861621 KWIXLYOFXCPIEK-AWEZNQCLSA-N 510.250 4.397 10 10 KICE CCCCCCN1C(=O)C(=Cc2c(N3CCN(C(=O)OCC)CC3)nc3c(C)cccn3c2=O)SC1=S 2297460449 RCKYNSJICFJMJQ-UHFFFAOYSA-N 543.715 4.063 10 10 KICE Cc1ccc(C=C2SC(=S)N(CCC(=O)Nc3nc(-c4ccc(S(C)(=O)=O)cc4)ns3)C2=O)cc1 2314913681 SYMGUXXCRZINSR-UHFFFAOYSA-N 544.705 4.147 10 10 KICE CCc1ccc(C(C)=CC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 2329489971 IRJYQEAIXIHPGD-SSEXGKCCSA-N 527.665 4.443 10 10 KICE CCOC(=O)[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(OCC(=O)N(CC)CC)c(OC)c2)SC1=S 101738378 SMKJIXNGWOCUFQ-GOOXQAOHSA-N 542.679 4.448 10 10 KICE COc1cccc(OCCOc2ccc([N+](=O)[O-])cc2/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)c1 103493741 VMPZCJIFBZKPIN-KHCNQNERSA-N 509.544 4.336 10 10 KICE CCCCOc1ccc(C(=O)N2CCC[C@H]2C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1OCC 1862251635 YGTUQCQNARKRNK-VWLOTQADSA-N 509.647 4.226 10 10 KICE Cc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)c1ccccc1)=C(N)O2 1864011496 IJODAMRBEWFJTQ-PUAOIOHZSA-N 514.557 4.362 10 10 KICE Cc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C(=O)NCCCCCO)[C@H]3c2ccc(O)c(O)c2)cc1 1864014451 VHRHBGAPYNAHDX-VWLOTQADSA-N 540.620 4.232 10 10 KICE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)CC)=C(N)O2 1864018024 ASZQKHFHOWDSKG-ASSNKEHSSA-N 514.985 4.307 10 10 KICE CCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(C)cc1)=C(N)O2 1864019992 TWSIARFVLBFFLX-AREMUKBSSA-N 524.621 4.267 10 10 KICE CCc1nn(CC(C)C)c2c1[C@H](c1ccc(OC)cc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865642489 SLXVPAAJNMDLDE-SANMLTNESA-N 545.684 4.162 10 10 KICE COC(=O)c1ccccc1N1C[C@@H](C(=O)Nc2sc3c(c2C(=O)OC)CC[C@H](C(C)(C)C)C3)CC1=O 1865924358 RYLDDPUQGNYYOC-HOTGVXAUSA-N 512.628 4.464 10 10 KICE CC[C@H](NC(=O)c1cc(N2CCCCS2(=O)=O)ccc1Cl)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866632572 XGOOZVPUDGRIEA-QHCPKHFHSA-N 580.062 4.193 10 10 KICE COc1ccc(C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867312841 AMZGVCKBTXOKDL-LOYHVIPDSA-N 544.696 4.151 10 10 KICE Cc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCNC(=O)[C@@H]2c2cn(C)c3ccccc23)n1 1868481412 TWOMFTVZTUABQT-LJAQVGFWSA-N 542.599 4.473 10 10 KICE COc1ccc([C@@H](C(=O)N[C@H](CCSC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)C(C)C)cc1 1868857672 SYEOMPDPNBQJCP-FTJBHMTQSA-N 513.704 4.030 10 10 KICE COc1cc(C=C2C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 2294133967 ORYUHRXTMYITLH-UHFFFAOYSA-N 501.495 4.466 10 10 KICE Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccc(F)cc4)C3=O)c(NC[C@@H]3CCCO3)nc12 2314413946 LYPSGJISBCJJGE-SFHVURJKSA-N 510.616 4.134 10 10 KICE COc1ccc(CN2C(=O)C(=Cc3c(N4CCC[C@@H](C)C4)nc4ccccn4c3=O)SC2=S)cc1 2314414016 NPOIIAIMBXJSOA-QGZVFWFLSA-N 506.653 4.341 10 10 KICE Cc1cccn2c(=O)c(C=C3SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(NC[C@H](O)c3ccccc3)nc12 2314476290 MCZGMDKTRVWJKE-DEOSSOPVSA-N 624.748 4.352 10 10 KICE COc1ccc(C=C2SC(=S)N(CCC(=O)N(Cc3ccc(N4CCCCC4)o3)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 2314828869 PMRBDXWZHXRNLV-OAQYLSRUSA-N 603.788 4.086 10 10 KICE CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(\C)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1 20286544 CMGABGCPBYXTTK-FYJGNVAPSA-N 500.943 4.179 10 10 KICE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N(CCCC(=O)O)C2=O)c(C)c1 39836122 XIDIVNBACPKHKF-CPNJWEJPSA-N 509.609 4.478 10 10 KICE CCCCn1c(N2CCC[C@H](C)C2)c(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c(C)c(C#N)c1=O 39990430 HDZKRAVUYCZHOR-HIUHXVBSSA-N 514.717 4.445 10 10 KICE O=C1/C(=C2/SC(=S)N(CCC(=O)N3CCCc4ccccc43)C2=O)CC(=S)N1CCC(=O)N1CCCc2ccccc21 97984514 NIVBPHIOVOYZLY-XAYXJRQQSA-N 618.806 4.400 10 10 KICE COc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(C)=O)[C@H](C(=O)c2ccc(OC)c(OC)c2)[C@@]12C(=O)Nc1ccccc12 504391072 ZOBFHNYEIRCFPU-INXMUBLWSA-N 524.573 4.275 10 10 KICE biogenic Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN(C)C)=C(N)O2 1864007795 VGILVWHEYRBLNU-QFIPXVFZSA-N 546.455 4.051 10 10 KICE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC(C)C)=C(N)O2 1864012863 KYYHOOMKECQEBH-VWLOTQADSA-N 534.657 4.148 10 10 KICE Cc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C(=O)NCCOC(C)C)[C@@H]3c2ccc(O)c(O)c2)cc1 1864014630 ZJEDLDIQWNJJHU-RUZDIDTESA-N 540.620 4.495 10 10 KICE COC(=O)c1c(NC(=O)CCN2C(=O)c3cccnc3C2=O)sc(C)c1-c1ccc(Br)cc1 1866245012 YVOFVAWHFOZGRQ-UHFFFAOYSA-N 528.384 4.292 10 10 KICE COc1ccc(N2CCN(c3nc(=NCc4ccccc4)[nH]c(=Nc4cc(Cl)ccc4C)[nH]3)CC2)cc1 1871512041 XXYADNXNUWUDOC-UHFFFAOYSA-N 516.049 4.368 10 10 KICE COc1ccc(N2CCN(c3nc(=NCc4ccccc4C)[nH]c(=Nc4cc(C)cc(C)c4)[nH]3)CC2)cc1 1871550318 JWOMTUJUXZEWDA-UHFFFAOYSA-N 509.658 4.332 10 10 KICE CCCOc1ccccc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCN2CCOCC2)C1=O 1873425490 BBYNZWRIOPUTOJ-UHFFFAOYSA-N 528.653 4.407 10 10 KICE Cc1ccc(CNc2nc3ccc(C)cn3c(=O)c2C=C2SC(=S)N(C[C@H]3CCCO3)C2=O)cc1 2296543524 JTOWINQKZXSGJS-LJQANCHMSA-N 506.653 4.304 10 10 KICE O=C(CCCN1C(=O)C(=C2SC(=S)N(CCCC(=O)Nc3ccc(O)cc3)C2=O)SC1=S)Nc1ccc(O)cc1 2297449477 IYHAIELRDSDUJN-UHFFFAOYSA-N 616.768 4.168 10 10 KICE O=C(O)C[C@@H](C(=O)O)N1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)SC1=S 2425026 CJXFLYOLLOBLEA-DKFVHQPUSA-N 513.984 4.322 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=C/C(Br)=C/c3ccccc3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 1084470073 DKXBSABTBCBUJL-TYHZVKHLSA-N 552.494 4.252 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)CCCOc3c(C)cccc3C)CC2)cc1 1862208380 RYAVYOYEXMNIBF-VWLOTQADSA-N 513.704 4.058 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)cc1 1862235824 QKMDETFNOOJYER-AWEZNQCLSA-N 503.443 4.200 10 10 KICE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)NCCc2ccccc2)[C@H]3c2ccc(O)c(O)c2)cc1 1864008099 BRTLZBGCGHVBSO-SANMLTNESA-N 510.594 4.013 10 10 KICE CCCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2Cc2cccc(F)c2)[C@@H]1c1ccc(O)c(O)c1 1864013259 UEMACSKWNLVPOR-QHCPKHFHSA-N 508.594 4.435 10 10 KICE CN(C)CCCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@H]1c1ccc(O)c(O)c1 1864014616 ZFLAMUJYAGMONN-RUZDIDTESA-N 539.636 4.103 10 10 KICE CCCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2Cc2ccc(F)cc2)[C@@H]1c1ccc(O)c(O)c1 1864017342 KCBVUPYTNJRZPA-DEOSSOPVSA-N 544.583 4.378 10 10 KICE CCc1nn(CC(C)C)c2c1[C@@H](c1cccc(OC)c1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865581624 IOFMADVEEMEFQU-AREMUKBSSA-N 545.684 4.162 10 10 KICE C[C@@H](C(=O)Nc1ccc(N)cc1)N1C(=O)c2c(I)c(I)c(I)c(I)c2C1=O 1865889928 ROYVXGSPYNRETP-LURJTMIESA-N 812.909 4.310 10 10 KICE CC(=O)Oc1ccc(C[C@H](NC(=O)c2cccc(OC(C)=O)c2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867300935 AFCIZMONJPCEDM-LQJZCPKCSA-N 614.743 4.288 10 10 KICE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4cccc(F)c4)cn3CCCCCCO)CC2)cc1 1870616218 NZLYNYVEAGZHOG-UHFFFAOYSA-N 523.649 4.450 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccccn3)C(=O)N(Cc3nc4ccccc4[nH]3)C2=O)cc1 1873164183 PUPSAPQMLRCXMT-UHFFFAOYSA-N 502.578 4.435 10 10 KICE Cc1ccc(O)c(Cn2nc(I)c(I)c2C(F)(F)F)c1 2079211940 FSZWLCRJLGSROR-UHFFFAOYSA-N 508.019 4.173 10 10 KICE CS(=O)(=O)c1ccc(-c2nsc(NC(=O)CCCN3C(=O)C(=Cc4cccs4)SC3=S)n2)cc1 2314913641 KUTMJMMYVUXNPV-UHFFFAOYSA-N 550.734 4.290 10 10 KICE NS(=O)(=O)c1ccc(NC(=O)CCCCCN2C(=O)/C(=C/c3c[nH]c4ccccc34)SC2=S)cc1 101969333 MXGYSDMXVDJKHR-STZFKDTASA-N 528.681 4.216 10 10 KICE Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccs1)=C(N)O2 1864008658 PDJXVBLARUTACI-NRFANRHFSA-N 508.987 4.318 10 10 KICE C[C@H](NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2C)[C@@H]1c1ccc(O)c(O)c1)C12CC3CC(CC(C3)C1)C2 1864014943 GPLGINGGRSNJJO-YUPYVVRWSA-N 532.563 4.266 10 10 KICE CCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccccc1)=C(N)O2 1864018224 GDPXHIMLKVRUOZ-RUZDIDTESA-N 528.584 4.098 10 10 KICE COC(=O)c1c(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)sc(C)c1-c1ccccc1 1866007307 PSVFLWPHGIIPFD-UHFFFAOYSA-N 535.043 4.437 10 10 KICE CC(=O)Oc1ccc(C[C@H](NC(=O)c2cccc(OC(C)=O)c2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867300934 AFCIZMONJPCEDM-JHOUSYSJSA-N 614.743 4.288 10 10 KICE CC[C@](C)(NC(=O)c1ccc(OC)c(OC)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867313542 DYVILQOQWVGCOF-GIGWZHCTSA-N 510.679 4.012 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)n(C(C)(C)C)n3)CC2)cc1 1869970072 DTKDBSKICWMKQV-UHFFFAOYSA-N 513.986 4.182 10 10 KICE CCc1ccccc1N=c1[nH]c(N2CCN(c3ccc(OC)cc3)CC2)nc(=NCc2ccccc2F)[nH]1 1871559898 RUCUOFNHFBXSAA-UHFFFAOYSA-N 513.621 4.108 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3nc4ccccc4[nH]3)C(=O)N(CCOC(C)C)C2=O)cc1 1873169564 PGUAOGFQDZPSFB-UHFFFAOYSA-N 511.626 4.308 10 10 KICE COc1cc(S(=O)(=O)Nc2ccccc2C)ccc1NC=C1C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 2294259117 JZOHETBJVXEMLL-UHFFFAOYSA-N 540.985 4.037 10 10 KICE CCOc1cc(C=C2SC(=S)N(CCS(=O)(=O)O)C2=O)ccc1OCc1ccccc1Cl 2314600277 WTNSDSROSCLNCB-UHFFFAOYSA-N 514.046 4.407 10 10 KICE CC(=O)N1CCC(C(=O)NCc2ccccc2)(N(Cc2ccc(N(C)C)cc2)C(=O)c2ccc(C)cc2)CC1 33068379 TWDWDBBMESRMEL-UHFFFAOYSA-N 526.681 4.401 10 10 KICE COc1ccc(N2CCN([C@@H](c3cccs3)[C@@H](C)NC(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc1 57015878 XYYBPNFJZVZWQP-NIYFSFCBSA-N 525.671 4.464 10 10 KICE COc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCc4ccc(C(=O)O)cc4)c(Br)c3)C2=O)cc1 100345059 APGGYDNYNGYXGY-NDENLUEZSA-N 551.349 4.401 10 10 KICE CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c4cc(OC)ccc4n3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 105537507 SVFPKJHOYAYXDH-JAYSWQADSA-N 563.079 4.075 10 10 KICE CCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@]3(C)C[C@H]1CC(C)(C)C3)=C(N)O2 1865035440 UAZRBAAQCPTCCG-AYFWRAPZSA-N 529.641 4.363 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)CCCc3ccc(OC)c(OC)c3)c3ccccc3)CC2)cc1 1868727390 QLFSMSJWVJBPPP-SSEXGKCCSA-N 531.653 4.241 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)c3cc(-c4ccccc4)on3)CC2)cc1 1868752609 CGQVEJOBKBEYNE-MHZLTWQESA-N 510.594 4.040 10 10 KICE CCc1ccc(-c2nc(CC(=O)N[C@@](C)(CC)C(=O)N3CCN(c4ccc(OC)cc4)CC3)c(C)o2)cc1 1868993309 XGUIVGDVMVIPJD-PMERELPUSA-N 518.658 4.397 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)c3cc(C4CC4)n4nc(-c5ccccc5Cl)cc4n3)CC2)cc1 1869005813 KZRYHHGOFGTLTC-LJQANCHMSA-N 559.070 4.403 10 10 KICE CCOc1ccc(-c2nc(N3CCN(c4ccc(OC)cc4)CC3)cc(N3CCOCC3(C)C)n2)cc1 1869322571 KKZCEFXVUOYUIO-UHFFFAOYSA-N 503.647 4.493 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccc(S(N)(=O)=O)cc3)C(=O)N([C@H]3CCCC[C@H]3C)C2=O)cc1 1873164722 PAGNZIQQDIZJCY-BCHFMIIMSA-N 546.693 4.190 10 10 KICE CCCOC(=O)c1ccc(CN2C(=O)C(NCCOC)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873165213 IOEVWJNREWQJFH-UHFFFAOYSA-N 515.610 4.177 10 10 KICE COc1ccc(CCN2C(=O)C(=Cc3c(N4CCN(c5ccc(OC)cc5)CC4)nc4ccccn4c3=O)SC2=S)cc1 2296718571 YEXNBQQOIDPQLY-UHFFFAOYSA-N 613.765 4.482 10 10 KICE CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4ccccc4C(=O)O)c3C)C2=O)c1 2313556401 YYPSIBVHXGYAKR-UHFFFAOYSA-N 517.538 4.256 10 10 KICE COc1cc(/C=C2\C(=O)N(c3ccc(Cl)cc3)C(=O)N=C2O)cc(I)c1OC 33410639 RPILKDRMWKEVEL-QPEQYQDCSA-N 512.687 4.469 10 10 KICE O=C(CCCN1C(=O)/C(=C2/SC(=S)N(CCCC(=O)Nc3ccc(O)cc3)C2=O)SC1=S)Nc1ccc(O)cc1 103943494 IYHAIELRDSDUJN-DQRAZIAOSA-N 616.768 4.168 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)[C@H](C)Oc3ccccc3C(C)C)CC2)cc1 1862206904 YOQPOEZVXLLSJN-OFVILXPXSA-N 513.704 4.173 10 10 KICE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCC)=C(N)O2 1864009743 CRAAJCUFRFXMJU-LJQANCHMSA-N 503.386 4.374 10 10 KICE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC)=C(N)O2 1864012586 DMWWULBBWHSBNH-NRFANRHFSA-N 547.439 4.059 10 10 KICE CCCc1nn(CCC)c2c1[C@H](c1ccccc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865017071 FISNXLAUNUSBFC-VWLOTQADSA-N 515.658 4.298 10 10 KICE CCCC[C@@H](NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867805609 RSWAPDBHYPRIKN-RSXGOPAZSA-N 569.703 4.310 10 10 KICE CCOC(=O)N1CCN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(Cc3ccccc3Cl)C2=O)CC1 2296907840 DWNZNAYWNJTNNN-UHFFFAOYSA-N 570.096 4.028 10 10 KICE COC(=O)C1=C(C)N(Cc2ccco2)C(=O)C1=Cc1ccc(OCC(=O)Nc2ccccc2OC)cc1 2313578058 FOQAOVMUQIFVOC-UHFFFAOYSA-N 502.523 4.179 10 10 KICE O=C1N=C(N2CCCCC2)SC1=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 2314476601 RLAXFGXZLRMXAN-UHFFFAOYSA-N 563.705 4.016 10 10 KICE CCOc1ccc(C=CC(=O)N[C@H](Cc2ccccc2)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 2330601876 RMSWOKYOGHHEBY-GDLZYMKVSA-N 513.638 4.183 10 10 KICE CCn1c(NCCc2ccccc2)c(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c(C)c(C#N)c1=O 40066405 LHADCMIBLNGUPW-MAGMUUGSSA-N 508.669 4.083 10 10 KICE O=C(O)C[C@@H](C(=O)O)N1C(=O)/C(=C/c2cc(Br)ccc2OCC(=O)Nc2ccc(Cl)cc2)SC1=S 101965120 VWQZRLSSFCKKOX-QTISIFFUSA-N 599.868 4.249 10 10 KICE CC[C@@H](C)NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(F)c2)[C@H]1c1ccc(O)c(O)c1 1864015139 KCUIMKZSSODKSD-KZULUSFZSA-N 520.483 4.110 10 10 KICE CCc1nn(C)c2c1[C@H](c1cccc3ccccc13)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865134181 CXXUBEHHJBZKFN-SANMLTNESA-N 523.637 4.188 10 10 KICE O=C(N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cccc(Cl)n1 1866564875 RAHDAXTXUJIESZ-QHCPKHFHSA-N 525.948 4.196 10 10 KICE COc1cc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c([N+](=O)[O-])cc1OC 1867802602 UIMRTBJIVZLGBR-LMSSTIIKSA-N 619.719 4.068 10 10 KICE CCOCCCn1cc(OCc2ccccc2F)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870341354 WMJZPNSBVVBTAT-UHFFFAOYSA-N 509.622 4.324 10 10 KICE O=C(Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)NCCCc1nc2ccccc2[nH]1 1873975831 ACZSPCZBXRMHQD-UHFFFAOYSA-N 502.578 4.200 10 10 KICE CCCCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3ccc(C(=O)OCC)cc3)c3ccccc32)SC1=S 2296538564 YJWATTIYRQDTNN-UHFFFAOYSA-N 523.636 4.220 10 10 KICE CCOCCCN1C(=O)C(=Cc2c(N3C[C@H](C)C[C@@H](C)C3)nc3ccc(C)cn3c2=O)SC1=S 2296541882 CRJICTMTYYSERK-QZTJIDSGSA-N 500.690 4.113 10 10 KICE COc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)o1 2296604967 PDZGMSGWKKUDPJ-UHFFFAOYSA-N 512.272 4.292 10 10 KICE COc1ccc(CNc2nc3ccc(C)cn3c(=O)c2C=C2SC(=S)N(C[C@H]3CCCO3)C2=O)cc1 2296709016 AZTDEZNQFFNFMC-LJQANCHMSA-N 522.652 4.004 10 10 KICE COc1ccc(N2CCN(c3nc4ccc(C)cn4c(=O)c3/C=C3/SC(=S)N(Cc4ccco4)C3=O)CC2)cc1 102552249 WSHPVKYQLYDKBB-LFVJCYFKSA-N 573.700 4.333 10 10 KICE CCCCn1c(NCc2ccc3c(c2)OCO3)c(/C=C2\SC(=S)N(CCOC)C2=O)c(C)c(C#N)c1=O 143350221 JEGHQOSGMNHLHW-UUYOSTAYSA-N 540.667 4.017 10 10 KICE COc1ccc(N2CCOCC2)cc1C(=O)N1CCC2(CCCCc3ccccc3O[C@@H](C)C(=O)NC2)CC1 1615070800 YWJBCNNMQQVJRY-QHCPKHFHSA-N 535.685 4.064 10 10 KICE Cc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccn1)=C(N)O2 1864011444 UQRRJDPAVQXVKU-SANMLTNESA-N 519.561 4.151 10 10 KICE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CC1)=C(N)O2 1864018883 TUDUXSOQASNICX-HXUWFJFHSA-N 515.397 4.185 10 10 KICE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](C)C1)=C(N)O2 1865033084 RMHVQIGPYKZHQS-AVRWGWEMSA-N 516.642 4.475 10 10 KICE CC(=O)Oc1ccc(C(=O)N[C@@H](C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c2ccccc2)cc1 1867718373 FBECMEMPXJQXEG-LOYHVIPDSA-N 542.680 4.492 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCCCN3CCOCC3)C(=O)N(CCc3c[nH]c4ccccc34)C2=O)cc1 1873170050 MMDHAWJDEMRECO-UHFFFAOYSA-N 551.691 4.210 10 10 KICE COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)C1=Cc1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1 2294061375 YILLWQORDZVFPU-UHFFFAOYSA-N 541.025 4.327 10 10 KICE Cc1cc(C=C2C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)c(C)n1-c1cc(Cl)ccc1Cl 2297470433 XTKOJWBDRMVKPH-UHFFFAOYSA-N 545.452 4.269 10 10 KICE Cc1ccc2nc(N3CCC[C@H](C)C3)c(/C=C3/SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(=O)n2c1 100885918 GSEMUEYTKKDXOZ-FSTGKYBXSA-N 586.743 4.443 10 10 KICE CN1C(=O)C(=Cc2ccc(Sc3nc4ccc(N5C(=O)[C@@H]6[C@@H](C5=O)[C@H]5C=C[C@H]6C5)cc4s3)c([N+](=O)[O-])c2)C(=O)N(C)C1=O 103806138 ZAUVWUILAHZWOB-MWWDPVSPSA-N 615.649 4.101 10 10 KICE CCN(CC)C(=O)COc1ccc(-c2c(C)sc(NC(=O)C(=O)NC3CCCCC3)c2C(=O)OC)cc1 1860763323 FDZXCWJUWXMJML-UHFFFAOYSA-N 529.659 4.145 10 10 KICE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCCc2c[nH]c4ccccc24)[C@H]3c2ccc(O)c(O)c2)cc1 1864007483 NVFKDQLPHPSFMQ-MHZLTWQESA-N 535.604 4.435 10 10 KICE C[C@H](O)CNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc3ccccc23)[C@@H]1c1ccc(O)c(O)c1 1864015102 JNNIBZQEVZMZEL-QYBDOPJKSA-N 548.599 4.295 10 10 KICE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)NC2CCCCC2)[C@H]3c2ccc(O)c(O)c2)cc1 1864015216 MNMLPWBOBLHUQF-FQEVSTJZSA-N 544.530 4.454 10 10 KICE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NCCc1ccccc1)[C@H]2c1ccc(O)c(O)c1 1864017849 WUVYVDXRJDKWOS-VWLOTQADSA-N 540.620 4.433 10 10 KICE CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(C)cc1)=C(N)O2 1864018651 PUAVLEPJHFADMU-VWLOTQADSA-N 528.584 4.364 10 10 KICE NC1=C(C(=O)N2CCOCC2)[C@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3ccc(Cl)cc3)c2O1 1865031810 ONGBKAAWVZYTJZ-HSZRJFAPSA-N 544.995 4.157 10 10 KICE CSCC[C@H](NC(=O)c1nc(C2CC2)n2ccccc12)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866861014 XMHCTYHZEICNKK-QFIPXVFZSA-N 538.629 4.477 10 10 KICE COc1ccc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867312840 AMZGVCKBTXOKDL-KYJUHHDHSA-N 544.696 4.151 10 10 KICE CCc1cccc(CC)c1N1C(=O)c2ccc(C(=O)N[C@@H](CO)C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O 1867593483 SYWRKKRNFPFANV-AJQTZOPKSA-N 639.797 4.112 10 10 KICE CN(C)c1ccc([C@H](CNC(=O)[C@@H](NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c2ccccc2)N2CCCCC2)cc1 1867790499 JWWUBQDAZNFDDE-ACHIHNKUSA-N 614.747 4.312 10 10 KICE COCCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCCc3ccc(C)cc3)ncnc21 1875221574 WBIKGIHRJGYOJC-UHFFFAOYSA-N 542.684 4.402 10 10 KICE O=C(CN1C(=O)C(=C2SC(=S)N(C[C@H]3CCCO3)C2=O)c2ccccc21)Nc1cccc(C(F)(F)F)c1 2296538526 VMQHYGYWHNLFQA-MRXNPFEDSA-N 547.580 4.441 10 10 KICE CCOCCCN1C(=O)C(=Cc2c(Oc3ccccc3OC)nc3c(C)cccn3c2=O)SC1=S 2314509565 WGNKWRCXDXPWDK-UHFFFAOYSA-N 511.625 4.432 10 10 KICE CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1c(OC)ccc2ccc(OC)cc12 100590805 IDUNZPOCARGLCF-KYRGTEIWSA-N 557.672 4.035 10 10 KICE COc1cc(/C=C2/SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)ccc1OCC(=O)N1CCCCC1 101744268 XAVXNGFCNVSHTR-FYJGNVAPSA-N 546.070 4.286 10 10 KICE Cc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C/c2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)C1=O 103795114 WUGHZHMOAMGQNG-JAIQZWGSSA-N 566.364 4.228 10 10 KICE Cc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCC1=CCCCC1)=C(N)O2 1864010249 QIQBIHCIZXNOPA-VWLOTQADSA-N 518.589 4.491 10 10 KICE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4Cc4ccccc4)[C@@H]3c3cccs3)CC2)cc1 1865320193 GLWSAVLXHVRJDW-SANMLTNESA-N 541.677 4.353 10 10 KICE COc1ccc(OC)c(NC(=O)COC(=O)CCN2C(=O)C(=CC=Cc3ccccc3)SC2=S)c1 2053623283 PKJNYZSACQNMNP-UHFFFAOYSA-N 512.609 4.033 10 10 KICE Cc1ccc(OCCOc2ccc(C=C3C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)C(C)C)cc2)cc1C 2297345708 UNRKXKGXMGAGEC-UHFFFAOYSA-N 526.640 4.161 10 10 KICE C[C@@H]1CN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(CCCc3ccccc3)C2=O)C[C@@H](C)O1 2297461535 BRZMSSACCZRKAM-RTBURBONSA-N 520.680 4.142 10 10 KICE N=C1C(=Cc2ccc(OC(=O)c3ccc(F)cc3)cc2)C(=O)N=C2SC(CC(=O)N3CCCCC3)=NN12 2297469041 ZEIIJZLIRQHKCT-UHFFFAOYSA-N 519.558 4.067 10 10 KICE CN(C)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N(C[C@H]3CCCO3)C2=O)c1 2297470936 LAXFUYDCYDGAKO-OAQYLSRUSA-N 554.719 4.170 10 10 KICE COc1ccc(CN2C(=O)C(=Cc3nc(S(=O)(=O)c4ccc(C)cc4)c(N4CCOCC4)o3)SC2=S)cc1 2314435690 CHFUSKHGGXVIOK-UHFFFAOYSA-N 571.702 4.062 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)C=Cc3ccc(Cl)cc3Cl)CC2)cc1 2330439898 ZQGHRKAPEYZDQZ-QFIPXVFZSA-N 506.455 4.266 10 10 KICE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccco1)=C(N)O2 1864018355 JBZFFLKAHLQISY-QFIPXVFZSA-N 520.973 4.162 10 10 KICE Cc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)C[C@@H](C)C1)=C(N)O2 1865027323 GQPCCDRVYMIXJY-WBPRFABPSA-N 509.006 4.444 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)CCCC(=O)c3cccs3)CC2)cc1 1868733495 MNYVVTLCWJIMGT-VWLOTQADSA-N 519.667 4.186 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)CCCOc4ccccc4C)n(C(C)(C)C)n3)CC2)cc1 1869969956 BHPXNWHVEGSWCF-UHFFFAOYSA-N 506.651 4.474 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)CSc3ccccc3)CC2)cc1 1874642324 AXUUHJWJMGYLDI-NDEPHWFRSA-N 528.678 4.345 10 10 KICE CC[C@@H](C)N1C(=O)C(=Cc2c(N3CCN(c4ccccc4)CC3)nc3c(C)cccn3c2=O)SC1=S 2296318952 NBLWOEUOWJWYJI-LJQANCHMSA-N 519.696 4.329 10 10 KICE CCOc1cc(C=C2SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)ccc1OC(=O)C=Cc1ccc(OC)cc1 2296538151 BSFNKMDLAOQRDI-LJQANCHMSA-N 559.687 4.101 10 10 KICE CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OCCCOc4ccc(Cl)cc4)cc3)C(=N)N21 2297345556 HGMIDBJQEJLNJZ-UHFFFAOYSA-N 533.031 4.199 10 10 KICE C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C3SC(=S)N(CCC(=O)O)C3=O)c2)C[C@@H](C)O1 2314475941 GCYCZONNJIYWEQ-KDURUIRLSA-N 612.755 4.013 10 10 KICE O=C(O)c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccc4c(c3)C(=O)N(c3cccc(O)c3)C4=O)cc1)C2=O 3142872 HBWLVYPNNZDWRR-UHFFFAOYSA-N 520.453 4.484 10 10 KICE Cc1ccc(NC(=O)CN2C(=O)/C(=C3/SC(=S)N(C[C@@H]4CCCO4)C3=O)c3ccccc32)c(C)c1 33869442 BFJFNWZQTPRUPU-AWZKZOKMSA-N 507.637 4.039 10 10 KICE Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C2\SC(=S)N([C@@H](C)C(=O)O)C2=O)cc1 101964983 BAAUOHZRCIVMKP-VQIMKDEXSA-N 535.441 4.449 10 10 KICE COc1cc(OC)c(CN2C(=O)c3ccccc3C2=O)cc1/C=C1\C(=O)N(c2ccc(F)cc2)C(=O)N=C1O 103118320 BZESXNVWPTVZNI-MTJSOVHGSA-N 529.480 4.146 10 10 KICE C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3/SC(N4C[C@@H](C)O[C@H](C)C4)=NC3=O)c2)C[C@@H](C)O1 1554268940 RUSYVENEAPWPLL-JOXCUVTASA-N 621.785 4.417 10 10 KICE O=C(Cc1ccccc1[N+](=O)[O-])Nc1cccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)n1 1860564572 KCTBXMMUTOZPEK-UHFFFAOYSA-N 506.474 4.199 10 10 KICE Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)NCCCOC(C)C)[C@H]3c2ccc(O)c(O)c2)cc1 1864014976 HKFHPPGMVKGPDW-FQEVSTJZSA-N 546.546 4.237 10 10 KICE CCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCC1)=C(N)O2 1864019955 SCWBDSWSURSANZ-QFIPXVFZSA-N 509.006 4.312 10 10 KICE CN(C)c1ccc([C@H](NC(=O)c2c[nH]c3c(I)cc(Br)cc3c2=O)c2nccn2C)cc1 1866447709 PDDXWALHKPXLQO-IBGZPJMESA-N 606.262 4.214 10 10 KICE Cc1oc(-c2ccc(F)cc2)nc1CC(=O)N[C@@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866659131 LJLUWPLGJQTUTI-HNNXBMFYSA-N 511.509 4.250 10 10 KICE CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(C)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867876164 YSZIBWHNTSGCQV-AOYPEHQESA-N 541.718 4.164 10 10 KICE CN(C)c1ccc([C@@H](CNC(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccc(C(=O)O)cc3C2=O)N2CCCCC2)cc1 1868025083 KEKBBYICXVITGB-URLMMPGGSA-N 568.674 4.002 10 10 KICE CCN(CC)CCn1cc(OCCc2ccccc2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870691854 RIECABXDLFNHLC-UHFFFAOYSA-N 518.702 4.142 10 10 KICE CC(=O)NCCN1C(=O)C(Nc2ccc(Br)cc2C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422209 LKNFNXSNNSBRKP-UHFFFAOYSA-N 535.442 4.493 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)Cc3ccc(Cl)cc3)CC2)cc1 1874642758 MOMKYEPXYAVDKG-NDEPHWFRSA-N 531.056 4.449 10 10 KICE O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)C1=Cc1ccc(N2CCOCC2)o1 2297555794 YXJWOBSKUYZHLV-UHFFFAOYSA-N 501.583 4.250 10 10 KICE COc1cc(C=C2C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 2313557301 ZUQBPJYYCNWPPO-UHFFFAOYSA-N 596.346 4.340 10 10 KICE Cn1c(=O)c2c(-c3ccc(Cl)cc3)n3c(c2n(C)c1=O)[C@@H](c1cccc(O)c1O)Nc1ccccc1-3 21659121 DIXTZDFZVPRYIK-OAQYLSRUSA-N 500.942 4.274 10 10 KICE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3CCC(C(N)=O)CC3)=NC2=O)c(C)c1 33432377 BRXGOSBDYIVNLX-LFVJCYFKSA-N 515.639 4.414 10 10 KICE CCCn1c(NCc2ccc(F)cc2)c(/C=C2\SC(=S)N(CCOC)C2=O)c(C)c(C#N)c1=O 40066859 PVMDYLYORPADAM-NDENLUEZSA-N 500.621 4.037 10 10 KICE C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)CN2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)[C@@H]2CCS(=O)(=O)C2)o1 101911425 LRELHISQNTZOOJ-CFNYCBHXSA-N 565.138 4.474 10 10 KICE O=C(/C=C\c1ccccc1)N(C(=O)/C=C/c1ccccc1)S(=O)(=O)c1ccc(N=NN2CCOCC2)cc1 254487076 PANWASRJJZJYOS-DQYIVPQRSA-N 530.606 4.488 10 10 KICE CCOC(=O)c1c(NC(=O)C(=O)NC[C@H](c2ccc(OC)cc2)N(C)C)sc(C)c1-c1ccc(F)cc1 1860759596 YBYQKJOIZITBMZ-OAQYLSRUSA-N 527.618 4.406 10 10 KICE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(F)cc1)=C(N)O2 1864007281 JQAAYKYCFIOERT-XMMPIXPASA-N 534.975 4.438 10 10 KICE COc1ccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3Cc3cc(C)ccc3C)[C@H]2c2ccc(O)c(O)c2)cc1 1864012024 PJFQEENZZQAONJ-HHHXNRCGSA-N 540.620 4.287 10 10 KICE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOCC)=C(N)O2 1864012708 HEVKZUOJKMZUMA-HSZRJFAPSA-N 541.048 4.186 10 10 KICE NC1=C(C(=O)NCc2ccccn2)[C@@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(Cc3ccccc3)c2O1 1864016357 NBORLJIFIPLMEG-SANMLTNESA-N 545.599 4.416 10 10 KICE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NCc1cccc(C)c1)[C@@H]2c1ccc(O)c(O)c1 1864017619 QBWPAOLHWZUYMS-XMMPIXPASA-N 526.593 4.309 10 10 KICE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4-c4ccccc4)[C@@H]3c3ccccc3F)CC2)cc1 1865062197 MAIOHHUEZFVCDS-MHZLTWQESA-N 539.611 4.372 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(OC(C)=O)cc3)NC(=O)C[C@@H](C)c3cccc(OC)c3)CC2)cc1 1868941277 JPMGGYLFAMQUGY-IPBJYNAHSA-N 573.690 4.199 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)c3cc(C)n(-c4ccccc4F)n3)CC2)cc1 1868983997 PTCCMOHYKCCTBC-NDEPHWFRSA-N 541.627 4.018 10 10 KICE CCN(CC)CCn1cc(OCc2ccccc2C)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870628088 SEHWWJUEZJWHOY-UHFFFAOYSA-N 518.702 4.408 10 10 KICE CCCCOCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cc(C)cc(C)c2)[nH]1 1871548130 RGYLTGOXBJQXOZ-UHFFFAOYSA-N 519.694 4.030 10 10 KICE COc1ccc(CCNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C3CCN(C)CC3)C2=O)cc1 1873166657 VEJZTNHXHYMZAL-UHFFFAOYSA-N 512.654 4.109 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)c3ccc(C)c(C)c3)CC2)cc1 1874643076 RORDWHXGCNHQDC-LJAQVGFWSA-N 510.638 4.483 10 10 KICE CCOc1cc(C=C2SC(=S)N([C@@H](C(=O)O)c3ccccc3)C2=O)cc(Br)c1OCC(=O)N1CCOCC1 2314769979 XMNQFEKKGRVLTI-JOCHJYFZSA-N 621.531 4.113 10 10 KICE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CCCc4ccccc4)C3=O)c(NC[C@@H]3CCCO3)nc12 33651197 IBTPEPOHINWBJA-OFXNXBLFSA-N 520.680 4.428 10 10 KICE Cc1ccc2nc(NC[C@H]3CCCO3)c(/C=C3\SC(=S)N(Cc4ccc(F)cc4)C3=O)c(=O)n2c1 33803777 JAVNVBZNDNNHLX-HDOAHBKWSA-N 510.616 4.134 10 10 KICE Cc1ccsc1CN(C(=O)CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)[C@@H]1CCS(=O)(=O)C1 101266764 RUABSXDQMIDXAN-GEBKJHSDSA-N 538.713 4.003 10 10 KICE COc1ccc(/C=C2/SC(=S)N(CC(=O)N(Cc3ccc(N(C)C)cc3)C[C@H]3CCCO3)C2=O)cc1 205611393 SEUCVTOXASPAGW-DGEAWOGYSA-N 525.696 4.170 10 10 KICE COc1ccc(/C=C2/SC(=S)N(CCCC(=O)N(Cc3ccc(N4CCCCC4)o3)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 207308860 XCXVVXFDRHPMCC-RYEBZEHMSA-N 617.815 4.476 10 10 KICE Cc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1)=C(N)O2 1864008764 RRPHLXDLOVEVBM-HSZRJFAPSA-N 547.409 4.365 10 10 KICE CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)c1ccc(OC)c(OC)c1)=C(N)O2 1864013894 IHJNSBSCCZRQKB-UPCLLVRISA-N 536.629 4.246 10 10 KICE Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)NCCCOC(C)C)[C@@H]3c2ccc(O)c(O)c2)cc1 1864014977 HKFHPPGMVKGPDW-HXUWFJFHSA-N 546.546 4.237 10 10 KICE CCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCC(C)C)=C(N)O2 1864018532 NBWTYGRMSXHBCY-JOCHJYFZSA-N 511.022 4.415 10 10 KICE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)N2CCCC2)=C(N)O3)cc1 1865033471 ALPSSPJVTHKFOS-VWLOTQADSA-N 538.604 4.335 10 10 KICE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1cccs1 1865328441 WVIJMEGPKWNYBO-SFHVURJKSA-N 533.576 4.035 10 10 KICE CCc1ccccc1N=c1[nH]c(N2CCN(c3ccc(OC)cc3)CC2)nc(=NCCc2ccccc2)[nH]1 1871557146 YEBSOFVQIHHIDS-UHFFFAOYSA-N 509.658 4.011 10 10 KICE COc1ccc(C=C2SC(=S)N(CCC(=O)Nc3nonc3-c3ccc(OC)cc3C)C2=O)cc1 2314828822 MBWRSZAGQRNCOW-UHFFFAOYSA-N 510.597 4.292 10 10 KICE NS(=O)(=O)c1ccc(NC(=O)CCCCCN2C(=O)C(=Cc3c[nH]c4ccccc34)SC2=S)cc1 2314831533 MXGYSDMXVDJKHR-UHFFFAOYSA-N 528.681 4.216 10 10 KICE CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)ccc1OCC(=O)N(CC)CC 40940582 QWFZTMNZNDBPFJ-PXLXIMEGSA-N 527.668 4.187 10 10 KICE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCCCOc4cc(C)cc(C)c4)cc3)C(=N)N21 104561162 FPPVOKFRVAQQLD-FNKNWIJASA-N 526.640 4.163 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@H]1c1ccccc1OC 252670730 LNSXFLRBHMVWBW-MHZLTWQESA-N 545.636 4.354 10 10 KICE CCN(CC)c1ccc(C=c2sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)OC(C)C)=C(C)N=3)cc1 254853861 KTBISMJIDMSICY-AREMUKBSSA-N 519.667 4.042 10 10 KICE Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)NC2CCCC2)[C@H]3c2ccc(O)c(O)c2)cc1 1864014842 DOKGCMWOALUWMJ-IBGZPJMESA-N 514.504 4.364 10 10 KICE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccn1)=C(N)O2 1864018442 LCSBCRBCYQMSMU-HSZRJFAPSA-N 549.990 4.104 10 10 KICE Cc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C)CC1)=C(N)O2 1865026579 PWRSMWWJNPTLCM-QHCPKHFHSA-N 509.006 4.258 10 10 KICE CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@H](C)C1)=C(N)O2 1865029941 YTRWEJAKFUIIIQ-XFAGBWLFSA-N 502.615 4.435 10 10 KICE CC1CCN(C(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3Cc3ccccc3F)[C@@H]2c2ccc(O)c(O)c2)CC1 1865033996 MWSOVRSFIRZBKR-FQEVSTJZSA-N 546.521 4.454 10 10 KICE CCCCN(CCCC)C(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccccn2)[C@@H]1c1ccc(O)c(O)c1 1865035655 YPJULRYOKAANGQ-QHCPKHFHSA-N 505.619 4.364 10 10 KICE CCc1nn(C)c2c1[C@@H](c1ccc(Cl)cc1Cl)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865181162 TUGQIVDKEQQNRM-JOCHJYFZSA-N 542.467 4.341 10 10 KICE CC(C)C[C@H](C(=O)O)N1C(=O)c2ccc(C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O 1867470443 STUPHYJNUARYFL-LBFZIJHGSA-N 697.833 4.238 10 10 KICE CC/C(=C\C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1)c1ccc(OC)cc1 1868666384 LGXUXZVLTAONLI-CFOJLQOVSA-N 543.664 4.279 10 10 KICE Cc1ccc(C=C2SC(=S)N(CC(=O)N(Cc3ccc([C@@H]4C[C@@H]4C)o3)[C@H]3CCS(=O)(=O)C3)C2=O)cc1 2314829310 XKTYEIZRQAHNLO-HFSMHLIXSA-N 544.720 4.129 10 10 KICE O=C(O)CCN1C(=O)/C(=C2\C(=O)N(Cc3ccccc3)c3ccc(Br)cc32)SC1=S 1830179 WFFWLSYVMGOWTN-ISLYRVAYSA-N 503.399 4.042 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@]34CC[C@@](C)(c5nc6ccc([N+](=O)[O-])cc6nc53)C4(C)C)CC2)cc1 33765285 XTHMUJDANMSKEA-WUFINQPMSA-N 501.587 4.225 10 10 KICE O=C(CN1C(=O)/C(=C2/SC(=S)NC2=O)c2cc(Br)ccc21)Nc1ccccc1C(F)(F)F 102371785 XUDUWDOFFBXTSA-FOCLMDBBSA-N 542.358 4.312 10 10 KICE COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCc1ccc2c(c1)OCO2 103849810 CNWRNGRRWYQEMF-LSCVHKIXSA-N 524.888 4.462 10 10 KICE CCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H]1CCCC[C@@H]1C)=C(N)O2 1864019637 ODGLTHJULIYSEL-JBUDQFAYSA-N 502.615 4.295 10 10 KICE NC1=C(C(=O)N2CCCCC2)[C@@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3ccccc3)c2O1 1865032049 UNULXYRWRNWSHW-SFHVURJKSA-N 500.477 4.009 10 10 KICE CCCN(CCC)C(=O)C1=C(N)Oc2c(c(CC)nn2Cc2cccc(F)c2)[C@H]1c1ccc(O)c(O)c1 1865035064 KJYATXVYBKAKGH-HSZRJFAPSA-N 508.594 4.387 10 10 KICE COC(=O)c1c(NC(=O)CCCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)sc(C)c1-c1ccccc1 1866026632 ULKRXRIJOXVQLR-UHFFFAOYSA-N 507.524 4.433 10 10 KICE Cc1cc([C@@H](CC(=O)N[C@@H](CO)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C(C)C)ccc1F 1866766042 KIRJGAVAVIFLPJ-DHLKQENFSA-N 516.569 4.155 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)Cc3csc(COc4ccc(C)cc4)n3)CC2)cc1 1868591000 HOTVIWHCAGWGOM-SANMLTNESA-N 568.765 4.168 10 10 KICE CC(=O)NCCN1C(=O)C(Nc2cccc(Br)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422487 ZTTGETVIAXUTJT-UHFFFAOYSA-N 521.415 4.185 10 10 KICE O=C1C(=Cc2c(NC[C@@H](O)c3ccccc3)nc3ccccn3c2=O)SC(=S)N1CCc1ccccc1 2296546435 YKLWQRNUKBLHSL-JOCHJYFZSA-N 528.659 4.284 10 10 KICE COc1cc(C=C2SC(=S)NC2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 2297331665 QXWLORWRLNBXJJ-UHFFFAOYSA-N 500.417 4.023 10 10 KICE Cc1ccc(OCCCOc2ccc(C=C3C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2Cl)cc1 2297346281 RQTGBQHHRIRNFQ-UHFFFAOYSA-N 533.031 4.118 10 10 KICE Cc1cc(C)cc(N2C(=O)C(=Cc3cn(CC(=O)N4CCC(C)CC4)c4ccccc34)C(=O)NC2=S)c1 2297462714 AXOCZHSFXYHHPJ-UHFFFAOYSA-N 514.651 4.348 10 10 KICE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)ccc1OCCO 2313548805 GFKBUYPFZUMXFK-UHFFFAOYSA-N 516.594 4.201 10 10 KICE CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)c(=O)n2[C@H]1c1cccs1 2053792 BMCGBNOFRRQPQP-RISWYLRJSA-N 575.712 4.362 10 10 KICE C/C(NCCN1CCOCC1)=C1\C(=O)N(c2nc3ccccc3s2)N=C1CSc1ccc(C)cc1 22920610 KNYQZXGWRGRFBP-LYBHJNIJSA-N 507.685 4.295 10 10 KICE CCSC1=NSC2=NC(=O)/C(=C\c3cc(OC)c(OCCOc4ccccc4OC)c(OC)c3)C(=N)N12 101348299 IGRASEVBUKZSSM-GFWJHOOASA-N 542.639 4.500 10 10 KICE COc1ccc(/C=C2\SC(=S)N([C@@H]3CC(=O)N(c4cccc(C(F)(F)F)c4)C3=O)C2=O)cc1OC 101974236 FSQPUNRZZSTQTF-FNMPFJKNSA-N 522.526 4.256 10 10 KICE COc1cc(/C=C2\C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)ccc1OCc1ccccc1 103567153 SIEIJPDTBDAHNS-IHRWIMNOSA-N 517.611 4.296 10 10 KICE CCCOC(=O)CCCN1C(=O)/C(=C/c2ccc(OCC(=O)N3CCCCC3)c(OCC)c2)SC1=S 206877423 UQPWDFIUIQPUQB-XLNRJJMWSA-N 534.700 4.411 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)cc3O)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 254715989 WZDFHMILTLGENP-NDEPHWFRSA-N 579.719 4.148 10 10 KICE Cc1c(Br)ccc(N2C(=O)NC(=O)/C(=C/c3cccc(I)c3)C2=O)c1C 1084350512 WVFVRGLPKLMAEY-ZROIWOOFSA-N 525.140 4.337 10 10 KICE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCc2ccc(F)cc2)[C@@H]3c2ccc(O)c(O)c2)cc1 1864008377 JGGVVSLFURYMSU-XMMPIXPASA-N 500.530 4.050 10 10 KICE Cc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C(=O)NCCCN(C)C)[C@@H]3c2ccc(O)c(O)c2)cc1 1864013952 JVWRWSOEMJWUFS-RUZDIDTESA-N 539.636 4.021 10 10 KICE CC(C)CCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(F)c2)[C@H]1c1ccc(O)c(O)c1 1864015065 IXAIZZMXZOOYIQ-LJQANCHMSA-N 534.510 4.357 10 10 KICE NC1=C(C(=O)NC2CC2)[C@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(Cc3cccc(F)c3)c2O1 1864016828 YHGAHOCGVVTGOI-HSZRJFAPSA-N 512.541 4.122 10 10 KICE CCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(C)cc1)=C(N)O2 1864017447 MPANHXYHMNBAIJ-SANMLTNESA-N 540.620 4.216 10 10 KICE CCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccs1)=C(N)O2 1864019506 KPTQKEFQVPYWBH-HSZRJFAPSA-N 516.623 4.286 10 10 KICE COc1ccc(N2CCN(C(=O)c3cc4c(N5CCCCC5)ncnc4n3Cc3ccco3)CC2)cc1 1873563812 CYDBNBDCIXWPNG-UHFFFAOYSA-N 500.603 4.034 10 10 KICE CCOc1ccc(CCNc2ncnc3c2cc(C(=O)N2CCN(c4ccc(OC)cc4)CC2)n3C)cc1OCC 1875198713 KZFFSBZXHIXZEG-UHFFFAOYSA-N 558.683 4.391 10 10 KICE CCN(CC)S(=O)(=O)c1ccc(C=CC(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)cc1 2042440049 VXJDGWYIZMPVQG-UHFFFAOYSA-N 552.649 4.335 10 10 KICE COc1cc(C=C2SC(=S)N(CCC(=O)NC34CC5CC(CC(C5)C3)C4)C2=O)cc(OC)c1OC 2297554632 NCZGQNSUPDHDLJ-UHFFFAOYSA-N 516.685 4.389 10 10 KICE Cc1c(N2C(=O)C(=Cc3c(N4CCN(c5ccccc5F)CC4)nc4ccccn4c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C 2314408603 PGCYOWYPCONDJN-UHFFFAOYSA-N 653.765 4.364 10 10 KICE COc1cc(C=C2SC(=S)N(CCCCCC(=O)NCc3ccccc3)C2=O)cc(OC)c1O 2314837546 UFVYNVFKTBLNOL-UHFFFAOYSA-N 500.642 4.487 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)C=Cc4ccc(OC)cc4OC)n(C(C)(C)C)n3)CC2)cc1 2331397146 MJOOJPJVYHUYEY-UHFFFAOYSA-N 520.634 4.037 10 10 KICE CCCn1c(N2CCCCCC2)c(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c(C)c(C#N)c1=O 39990213 OHLVPLHWLFAWCY-MKYLKIGJSA-N 500.690 4.199 10 10 KICE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCCOc4ccc(Cl)c(C)c4)cc3)C(=N)N21 104560896 BZWKMAVZQKUMGC-RBRHTRMMSA-N 533.031 4.118 10 10 KICE CCCCC1CCC(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)Oc3ccc(N)cc3)cc2)CC1 1859004931 UYQHQMAMNLYVPF-UHFFFAOYSA-N 501.649 4.401 10 10 KICE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)NC2CCCC2)=C(N)O3)cc1 1864017026 COXKCNWCVSARSM-DEOSSOPVSA-N 539.592 4.108 10 10 KICE CN(C)c1ccc([C@@H](CNC(=O)[C@H](CC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)N2CCCCC2)cc1 1866006707 DYMSJPKOMFFCSF-RRPNLBNLSA-N 552.716 4.423 10 10 KICE CN(C)c1ccc([C@H](CNC(=O)[C@H](CO)NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)N2CCCCC2)cc1 1867660175 QWYRJBAOHZKCTB-GOTSBHOMSA-N 574.566 4.224 10 10 KICE CN(C)c1ccc([C@@H](CNC(=O)[C@H](CO)NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)N2CCCCC2)cc1 1867660177 QWYRJBAOHZKCTB-XZOQPEGZSA-N 574.566 4.224 10 10 KICE COCCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCN(c3ccccc3)C(=O)C2)n1 1868254674 XWTUFNJKOSZQTL-UHFFFAOYSA-N 533.588 4.038 10 10 KICE CC[C@](C)(NC(=O)[C@@H](Cc1ccccn1)c1ccccc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868667609 KJVUPLFEKFIZSE-FIBWVYCGSA-N 500.643 4.050 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCC(CN5CCOCC5)CC4)nc(-c4ccccc4C)n3)CC2)cc1 1869139238 HVHXXYHWLYBBDP-UHFFFAOYSA-N 542.728 4.336 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCO[C@H](c5ccncc5)C4)nc(-c4cccc(OC)c4)n3)CC2)cc1 1869314408 NQULUNNBSPWBNK-NDEPHWFRSA-N 538.652 4.460 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)Cc4ccc(C)cc4)n(-c4ccc(OC)cc4)n3)CC2)cc1 1869969354 AVFUARANTQGNMY-UHFFFAOYSA-N 512.614 4.101 10 10 KICE COc1ccc(N2CCN(CCC(=O)c3cccc(OC(=O)COc4cccc(OC)c4)c3)CC2)cc1 1874737391 XKHLZWCUCDWUAR-UHFFFAOYSA-N 504.583 4.083 10 10 KICE O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1cc(Br)cc(Br)c1O 2313510538 PIIFKOYRFHCGNS-UHFFFAOYSA-N 500.530 4.237 10 10 KICE COc1ccc([C@@H](CNC(=O)CN2C(=O)C(=Cc3cccs3)SC2=S)N2CCCCC2)cc1 2314625186 KCQCMLZNASLRPO-HXUWFJFHSA-N 501.699 4.301 10 10 KICE Nc1ccc(S(=O)(=O)c2ccc(N=[N+]([O-])c3ccc(S(=O)(=O)c4ccc(N)cc4)cc3)cc2)cc1 2333243507 SMEWQWPADHSEIL-UHFFFAOYSA-N 508.581 4.442 10 10 KICE Cc1ccc(NC(=O)CN2C(=O)/C(=C3/SC(=S)N(C[C@H]4CCCO4)C3=O)c3ccccc32)c(C)c1 2533268 BFJFNWZQTPRUPU-DUPNKOKHSA-N 507.637 4.039 10 10 KICE Cc1ccc(NC(=O)CN2C(=O)/C(=C3/SC(=S)N(C[C@H]4CCCO4)C3=O)c3ccccc32)cc1C 2533378 JFINEXHVERCSDU-KGNHYALCSA-N 507.637 4.039 10 10 KICE CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(C)c4)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 59418549 JXFPLNHEZDIPQQ-CMISJSSVSA-N 527.646 4.433 10 10 KICE COc1ccc(/C=C2/SC(=S)N(CCCCCC(=O)NCCCCCC(=O)O)C2=O)cc1OC 210752518 COCOERGCMMGNEJ-CAPFRKAQSA-N 508.662 4.227 10 10 KICE C[C@@H]1CCCN(C(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3-c3ccccc3)[C@H]2c2ccc(O)c(O)c2)C1 1865031942 RVRSYHRJVNCEQW-AUUYWEPGSA-N 514.504 4.255 10 10 KICE CC[C@H](NC(=O)CCCc1ccc(OC)c(OC)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866786012 ZEQUZMIGIQFHDI-QFIPXVFZSA-N 514.578 4.335 10 10 KICE COc1ccc(N2CCN(c3nc(=NC(=O)c4ccc(Cl)s4)n(-c4ccc(C)cc4)[nH]3)CC2)cc1 1869969499 DNEQRPAGFLTJAP-UHFFFAOYSA-N 509.035 4.300 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3c[nH]c4ccccc34)C(=O)N(CCCN3CCOCC3)C2=O)cc1 1873162402 TZLMRZBPXUVCLU-UHFFFAOYSA-N 551.691 4.210 10 10 KICE COc1ccc(Cl)cc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCN2CCOCC2)C1=O 1873425986 QLGKGDCYHZZNCP-UHFFFAOYSA-N 535.044 4.280 10 10 KICE COc1ccc(N2CCN(C(=O)c3cc4c(NC[C@@H](c5ccccc5)N5CCCC5)ncnc4n3C)CC2)cc1 1875199375 WVVXANWGKQOGRN-NDEPHWFRSA-N 539.684 4.188 10 10 KICE O=C(Nc1cc(Br)c(I)c(Br)c1)c1cccc(O)c1O 2151778304 LQBYJYZOZKZKIH-UHFFFAOYSA-N 512.923 4.480 10 10 KICE CC[C@@H](C)N1C(=O)C(=Cc2c(N3CCN(c4ccccc4F)CC3)nc3ccc(C)cn3c2=O)SC1=S 2296331033 CQWNMVTZCRHLSH-GOSISDBHSA-N 537.686 4.468 10 10 KICE CC[C@@H](C)c1ccc(OCCOc2ccc(C=C3C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2)cc1 2297345068 OCDRTZGBGNVQEH-MRXNPFEDSA-N 526.640 4.279 10 10 KICE CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3cc(Cl)c(OCc4ccc(C)cc4)c(OC)c3)C(=N)N21 2297345749 YIHVTPGBVVXQNQ-UHFFFAOYSA-N 533.031 4.247 10 10 KICE CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(OCC(=O)O)c(Br)c3)C2=O)c1 2313556555 DABHVRXIKOQIOG-UHFFFAOYSA-N 567.776 4.030 10 10 KICE CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])o3)C2=O)c1 2313556905 OGZZEZBYWJIWNK-UHFFFAOYSA-N 536.453 4.227 10 10 KICE COc1cc(OC)cc(C(=O)Nc2cccc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)n2)c1 1860551418 GAJMPATXPDWVSG-UHFFFAOYSA-N 507.502 4.379 10 10 KICE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCc1ccc(OC)cc1)[C@H]2c1ccc(O)c(O)c1 1864015742 DTQDHUPSWYWWFF-DEOSSOPVSA-N 526.593 4.043 10 10 KICE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(-c5ccccc5)nn4C)[C@H]3c3ccc(F)cc3)CC2)cc1 1865520204 MMMCMLINUZIMNW-RUZDIDTESA-N 539.611 4.278 10 10 KICE Cc1ccc(OCc2nc(CC(=O)NCC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cs2)cc1 1868129013 SYJXXKONAURDPA-UHFFFAOYSA-N 525.586 4.103 10 10 KICE CCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCC[C@H]2C(=O)NC2CCCCC2)n1 1869214927 LNOMTEKCNUALOR-VWLOTQADSA-N 506.695 4.182 10 10 KICE COc1ccc(N2CCN(c3cc(N4CC(=O)N5CCc6ccccc6[C@@H]5C4)nc(-c4cccc(OC)c4)n3)CC2)cc1 1869321943 JEFPSEVAEUMXSL-PMERELPUSA-N 576.701 4.433 10 10 KICE CCc1ccc(C(=O)N=c2nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]n2-c2cccc(Cl)c2)cc1 1869969952 BGTNHDSYGDANNH-UHFFFAOYSA-N 517.033 4.493 10 10 KICE COC(=O)c1ccccc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCn2ccnc2)C1=O 1873423053 CFPIXRPFMNFKIQ-UHFFFAOYSA-N 523.593 4.360 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)c3cccc(F)c3)CC2)cc1 1874642274 ACENCCJWASZIPC-MHZLTWQESA-N 500.574 4.006 10 10 KICE CCOCCCN1C(=O)C(=Cc2c(N3CCN(c4ccccc4F)CC3)nc3ccc(C)cn3c2=O)SC1=S 2296939470 HDKPEJQOTNTPHI-UHFFFAOYSA-N 567.712 4.096 10 10 KICE CCOC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4ccc(OC)cc4OC)C3=O)c2C)cc1 2313541345 CKQFVACKHUOYBE-UHFFFAOYSA-N 533.606 4.119 10 10 KICE CCCOC(=O)CCCN1C(=O)C(=Cc2ccc(OCC(=O)N3CCCCC3)c(OCC)c2)SC1=S 2314761491 UQPWDFIUIQPUQB-UHFFFAOYSA-N 534.700 4.411 10 10 KICE C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)C(=Cc2cccc(Oc3ccccc3)c2)SC1=S 2314837008 MXJJXFPIMYUKAO-INIZCTEOSA-N 539.660 4.355 10 10 KICE Cc1cccn2c(=O)c(/C=C3/SC(=S)N([C@H]4CCS(=O)(=O)C4)C3=O)c(Sc3ccc(Cl)cc3)nc12 100850904 YLBKVYKUGXTMGG-LZNAANCOSA-N 564.135 4.196 10 10 KICE Cc1ccc2nc(N3CCN(c4cccc(Cl)c4)CC3)c(/C=C3/SC(=S)N(CCCC(=O)O)C3=O)c(=O)n2c1 103649073 ZSJRBRLIBAEOPX-RCCKNPSSSA-N 584.123 4.049 10 10 KICE COc1cc(/C=C2/C(=O)NC(=O)N([C@@H](C)C34CC5CC(CC(C5)C3)C4)C2=O)cc(I)c1O 109890424 ZZKCQGWFCSDDAB-MJMSWUAYSA-N 550.393 4.072 10 10 KICE COc1ccc(N2CCN3c4ccc(C(F)(F)F)cc4C[C@H](C(=O)N4C[C@H](C)O[C@H](C)C4)[C@H]3C2)cc1 248153764 YDAJVNQZJOUXIT-OTZUMCJQSA-N 503.565 4.217 10 10 KICE Cc1ccn2c(C(=O)N3CCC(C(=O)Nc4ccc5c(c4)C(=O)c4ccccc4C5=O)CC3)c(C)nc2c1 1860606577 LRQKTLTXRGFMNQ-UHFFFAOYSA-N 506.562 4.217 10 10 KICE CCCn1nc(C)c2c1OC(N)=C(C(=O)N[C@@H](C)c1ccc3c(c1)CCCC3)[C@H]2c1ccc(O)c(O)c1 1864010040 NQQGZZDKHHVQLZ-LMKMVOKYSA-N 502.615 4.464 10 10 KICE Cc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1Cl)=C(N)O2 1864012078 QKHMNTNUOAQMFI-DEOSSOPVSA-N 534.975 4.455 10 10 KICE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(CC)CC)=C(N)O2 1864012987 NOBWPOJTGZMYEX-SANMLTNESA-N 547.700 4.065 10 10 KICE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCC(C)C)=C(N)O2 1864013732 ZJJAAJOJTOIYEL-DEOSSOPVSA-N 504.631 4.379 10 10 KICE CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)c1ccc(OC)cc1)=C(N)O2 1864020568 DMVRHTSUWOGZRZ-QMHKHESXSA-N 506.603 4.093 10 10 KICE Cc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](C)C1)=C(N)O2 1865026649 QQZSODORVDTZQS-WNSKOXEYSA-N 509.006 4.258 10 10 KICE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCC(N3CCCCC3)CC1)[C@@H]2c1ccc(O)c(O)c1 1865031644 LIFHDCBGXIAEDU-RUZDIDTESA-N 543.668 4.153 10 10 KICE COc1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1OC 1867307806 FBJHFKOVOVNCMI-WDYNHAJCSA-N 558.723 4.454 10 10 KICE CC[C@@](C)(NC(=O)[C@H](c1ccc(OC)c(OC)c1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868860524 QROXTTMVWWQQTE-LITSAYRRSA-N 511.663 4.086 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCN[C@@H](c5ccc(F)cc5)C4=O)nc(Cc4ccccc4)n3)CC2)cc1 1869080062 UIBHKMHJJCEWLX-HKBQPEDESA-N 552.654 4.219 10 10 KICE CCC1=NN2C(=N)C(=Cc3cc(I)c(OS(=O)(=O)c4ccc(C)cc4)c(OC)c3)C(=O)N=C2S1 2293662199 HZWGZPGNCZFSSM-UHFFFAOYSA-N 610.455 4.405 10 10 KICE Cc1noc(C=Cc2ccc(F)cc2F)c1S(=O)(=O)N1CCC(C(=O)NCc2ccc(N(C)C)cc2)CC1 2297403142 QTDKEZGOUZPFNZ-UHFFFAOYSA-N 544.624 4.215 10 10 KICE O=C(Cn1cc(C=C2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c2ccccc21)NCc1ccco1 2297552057 ROACLNAPZNVPCH-UHFFFAOYSA-N 518.982 4.035 10 10 KICE CCn1c(N2C[C@@H](C)C[C@@H](C)C2)c(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)c(C)c(C#N)c1=O 33813451 MMMRFLDPJPSXEQ-POKCEJIYSA-N 530.716 4.377 10 10 KICE Cc1cc(C)cc(OCCOc2ccc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)C(C)C)cc2)c1 104562970 YBXAXTBOESBDRF-SMKDVUIYSA-N 526.640 4.161 10 10 KICE Cc1cc(N2C(=O)NC(=O)/C(=C/c3cccc(I)c3)C2=O)ccc1Br 1083936835 JHPHVTBMFGCRQZ-ZROIWOOFSA-N 511.113 4.029 10 10 KICE CCOC(=O)COc1c(I)cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1I 1084227429 BEIOENOOONLJGS-AUWJEWJLSA-N 725.071 4.267 10 10 KICE CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCC1)=C(N)O2 1864012541 CPXGUHHRGOJJJL-XMMPIXPASA-N 502.615 4.439 10 10 KICE CCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccn1)=C(N)O2 1864020908 HWIZOVOGXZWUJN-AREMUKBSSA-N 533.588 4.405 10 10 KICE COc1ccc(-c2nn(C)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)NCc2ccc(Cl)cc2)=C(N)O3)cc1 1864022053 JNASDWIDNWVDLP-QFIPXVFZSA-N 532.984 4.171 10 10 KICE CCc1nn(C)c2c1[C@@H](c1cccc3ccccc13)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865134180 CXXUBEHHJBZKFN-AREMUKBSSA-N 523.637 4.188 10 10 KICE CN(C)c1ccc([C@H](CNC(=O)C(C)(C)NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccc4c(c2)OCO4)C3=O)N2CCCCC2)cc1 1867445682 KIBLQIZXQGYSQK-LJAQVGFWSA-N 639.753 4.129 10 10 KICE CCCC[C@H](NC(=O)[C@@H](Cc1ccncc1)c1ccccc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868674482 YPGSZQDHDUCGDF-VMPREFPWSA-N 514.670 4.440 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(OC(C)=O)cc3)NC(=O)CCCC(=O)c3cccs3)CC2)cc1 1868733236 FDYPUENLIFQSJD-MHZLTWQESA-N 577.703 4.111 10 10 KICE CCCCCCn1cc(OCC(=O)OC(C)(C)C)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870446672 IBUWVEUIDUJPNC-UHFFFAOYSA-N 513.679 4.480 10 10 KICE Cc1ccc(C)c(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCN3CCOCC3)C2=O)c1 1873169227 GFUSEPORRBJEEY-UHFFFAOYSA-N 526.681 4.303 10 10 KICE Cc1cccc(OCCCOc2ccc(C=C3C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2Cl)c1 2297345379 QZQORGZMELSBKF-UHFFFAOYSA-N 533.031 4.118 10 10 KICE COc1ccc(N2CCN(C(=O)c3ccc4c(c3)NC(=O)[C@@H](CSCc3cccc(F)c3)N4)CC2)cc1 9505295 QDJHEZDRZWBBSE-AREMUKBSSA-N 520.630 4.463 10 10 KICE COc1ccc(CCN2C(=O)/C(=C/c3c(C)c(C#N)c(=O)n(C)c3N3CCC[C@@H](C)C3)SC2=S)cc1OC 137679401 ZLWLYMGWOHEITG-SNNLMFDCSA-N 552.722 4.263 10 10 KICE COCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cc(C)ccc2C)[C@@H]1c1ccc(O)c(O)c1 1864016589 SYIGSFAIGXNEMV-VWLOTQADSA-N 540.620 4.084 10 10 KICE CCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(OC)cc1)=C(N)O2 1864018568 OCUCPPRKOZJZMC-RUZDIDTESA-N 544.583 4.064 10 10 KICE CCCOC(=O)c1ccc(CNC(=O)C2=C(N)Oc3c(c(CC)nn3CC(C)C)[C@H]2c2ccc(O)c(O)c2)cc1 1864020925 IKBQJQYHXGPWDI-XMMPIXPASA-N 548.640 4.091 10 10 KICE O=C1c2ccccc2C(=O)c2c(NC(=O)c3c[nH]c4c(F)cc(I)cc4c3=O)cccc21 1866446581 IKUJYYZHYZNTBL-UHFFFAOYSA-N 538.272 4.300 10 10 KICE COc1cc(OC)cc(C(=O)N[C@@H](Cc2ccc(OC(C)=O)cc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867394269 KRMGXNPGRTZOQZ-LQJZCPKCSA-N 616.759 4.380 10 10 KICE CC[C@@H](NC(=O)c1cc(OC)c(OC)c(OC)c1Br)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867465221 WRWIKXXQFQNKMP-PKTZIBPZSA-N 605.574 4.393 10 10 KICE Cc1ccccc1C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867899871 NVCQHVRQOVFUSZ-LOYHVIPDSA-N 528.697 4.451 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)[C@H](c3ccc(F)cc3)C(C)C)CC2)cc1 1868844971 QTCDDWBIXTZDBI-DQEYMECFSA-N 501.668 4.161 10 10 KICE CCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCN(c3ccccc3NC(C)=O)CC2)n1 1869226236 GTCZZYGAWNWEBW-UHFFFAOYSA-N 529.689 4.049 10 10 KICE CCCCn1cc(OCC(=O)OC2CCCCC2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870572252 KBVDMMJXAJBDMV-UHFFFAOYSA-N 511.663 4.234 10 10 KICE COc1ccc(N2CCN(CCC(=O)c3ccc(OC(=O)Cc4ccc(OC)c(OC)c4)cc3)CC2)cc1 1874738977 LJLSIJXSDSOGGB-UHFFFAOYSA-N 518.610 4.256 10 10 KICE CCN1C(=O)C(=Cc2nc3ccc(I)cc3c(=O)n2C)c2cc(Br)ccc21 2296049230 NIYHHFRBKPUIIF-UHFFFAOYSA-N 536.167 4.208 10 10 KICE COc1ccc(CN2C(=O)C(=Cc3c(N4CCN(c5ccc(OC)cc5)CC4)nc4ccccn4c3=O)SC2=S)cc1 2296544553 ZZBPMESRNLTUDS-UHFFFAOYSA-N 599.738 4.440 10 10 KICE C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C3SC(=S)N(CCS(=O)(=O)O)C3=O)c2)C1 2314475987 GYMFOQBPSYYWEZ-PMACEKPBSA-N 646.838 4.295 10 10 KICE CC[C@H](C)Oc1c(I)cc(/C=C2/C(=O)NC(=O)N(C3CCCCC3)C2=O)cc1OC 9259662 WFMZYPVYKOFOAX-ATTDUZETSA-N 526.371 4.272 10 10 KICE CCOCCCNc1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc(F)cc2)C1=O 33807234 YAQQLYNEXPNXNJ-MOSHPQCFSA-N 512.632 4.382 10 10 KICE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCc1nc3ccccc3[nH]1)=C(N)O2 1864014437 VDZVUGOAOZWVQH-VWLOTQADSA-N 544.656 4.223 10 10 KICE CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1cccc(C)c1 1865571938 QGDKIDBNEJUFRA-RUZDIDTESA-N 515.658 4.216 10 10 KICE O=C(COc1cccc2c1C(=O)N(c1ccccc1)C2=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1865836567 UCMNVWNPSKQWNW-UHFFFAOYSA-N 502.482 4.280 10 10 KICE CCOC(=O)N1CCN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(-c3ccc(OCC)cc3)n2)CC1 1867996674 MJKRYUVPPGPALA-UHFFFAOYSA-N 546.672 4.156 10 10 KICE CCCC[C@@H](NC(=O)c1cc(C)n(-c2cccc(C)c2)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868765867 FTSDUHMYFAJYJR-AREMUKBSSA-N 503.647 4.135 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)c3nc(C(C)(C)C)n4ccccc34)CC2)cc1 1868789962 LWMJXNNLRDLFFZ-AREMUKBSSA-N 555.679 4.036 10 10 KICE COc1ccc(CCN2C(=O)C(NC3CCN(C)CC3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1OC 1873170487 BNOIVSLGPJAXRN-UHFFFAOYSA-N 542.680 4.118 10 10 KICE CCc1ccc(N2C(=O)C(=Cc3ccc(OCc4cccc(C(=O)O)c4)c(OC)c3)C(=O)NC2=S)cc1 2294204876 NSXCZPBVUNHXKX-UHFFFAOYSA-N 516.575 4.366 10 10 KICE Cc1ccccc1OCCOc1ccc(C=C2C(=N)N3N=C(S(=O)(=O)CC(C)C)SC3=NC2=O)cc1 2297346428 AVDSNCPCFCCZOO-UHFFFAOYSA-N 526.640 4.100 10 10 KICE C[C@H]1C[C@H](C)CN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)C1 2314413714 FTMMPSOLINHEJK-IRXDYDNUSA-N 534.663 4.307 10 10 KICE C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C3SC(N4CCC(C(N)=O)CC4)=NC3=O)c2)C1 2314477009 ZQUSOGAKBSXZNZ-VXKWHMMOSA-N 632.812 4.374 10 10 KICE NS(=O)(=O)c1ccc(NC(=O)CCN2C(=O)C(=Cc3cccc(OCc4ccccc4)c3)SC2=S)cc1 2314827441 FAJRQKGMSLKPOV-UHFFFAOYSA-N 553.687 4.143 10 10 KICE CCN(CC)C(=O)COc1ccc(C=C2SC(=S)N(CCOc3ccc(OC)cc3)C2=O)cc1 2323719044 GODABEUSFWJBBS-UHFFFAOYSA-N 500.642 4.223 10 10 KICE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3cn(CCOc4ccc(C)cc4)c4ccccc34)C(=N)N21 20206505 AMTKPIYWKJTFFL-NKFJNAIASA-N 521.624 4.040 10 10 KICE CCCCn1c(N2C[C@H](C)C[C@@H](C)C2)c(/C=C2\SC(=S)N(CCOC)C2=O)c(C)c(C#N)c1=O 39990475 XRZDTNVYGLABCR-SJJRUYGKSA-N 502.706 4.158 10 10 KICE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCCCOc4ccc(Cl)cc4)cc3)C(=N)N21 104561006 HGMIDBJQEJLNJZ-QCYUAWMTSA-N 533.031 4.199 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](CSCc3ccccc3)NC(=O)c3cccc(F)c3)CC2)cc1 1862070015 GXASCUBIBQHPFO-SANMLTNESA-N 507.631 4.215 10 10 KICE COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCc2ccccc2Cl)[C@@H]3c2ccc(O)c(O)c2)cc1 1864006961 BLBOEJHUYAHYSV-XMMPIXPASA-N 532.984 4.265 10 10 KICE CCCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOc1ccccc1)=C(N)O2 1864013063 PFPSCDRPFJLCEK-SANMLTNESA-N 540.620 4.185 10 10 KICE CC(C)CNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)cc2)[C@H]1c1ccc(O)c(O)c1 1864014701 ALIGRLKOCWBCBI-QGZVFWFLSA-N 522.911 4.423 10 10 KICE CCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(C)cc1)=C(N)O2 1864019455 ZBBMKZRZIAWSKU-VWLOTQADSA-N 528.584 4.364 10 10 KICE CC[C@H](NC(=O)c1cc(-c2ccc(F)c(F)c2)[nH]n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867094296 REAQOHZNCCRVLU-FQEVSTJZSA-N 514.488 4.277 10 10 KICE CCCC[C@@H](NC(=O)[C@@H](Cc1ccncc1)c1ccccc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868674481 YPGSZQDHDUCGDF-URLMMPGGSA-N 514.670 4.440 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCC[C@H]4C(=O)N=c4cc(C)o[nH]4)nc(-c4ccc(C)cc4)n3)CC2)cc1 1869157884 ONNKQELWMZLAAC-SANMLTNESA-N 553.667 4.113 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCN(c5ccccc5)C(=O)C4)nc(-c4ccccc4)n3)CC2)cc1 1869206264 FKMIYSAYDBTOTA-UHFFFAOYSA-N 520.637 4.332 10 10 KICE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C3SC(=S)N(CC(=O)O)C3=O)c2)C1 2314476391 NSBNYFOILZHHST-KDURUIRLSA-N 596.756 4.492 10 10 KICE O=C(O)CCN1C(=O)C(=Cc2c(Oc3ccc(Cl)cc3Cl)nc3ccccn3c2=O)SC1=S 2314506820 FSJCEDAXFOITEX-UHFFFAOYSA-N 522.391 4.470 10 10 KICE CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)ccc1O[C@@H](C)C(=O)O 2314933702 CNQLAPBVWCIRRX-LBPRGKRZSA-N 506.989 4.137 10 10 KICE Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)c(NC[C@H]3CCCO3)nc12 33516559 GWPIZFFOERAPBY-CBAAQYGVSA-N 506.653 4.038 10 10 KICE Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(NC3CCCC3)nc12 33726912 FXLQQVUGKJWYBC-MTJSOVHGSA-N 520.636 4.488 10 10 KICE Cc1cccc(OCCOc2ccc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)CC(C)C)cc2)c1 104561943 XCIRRTRISDDQSW-SMKDVUIYSA-N 526.640 4.100 10 10 KICE COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 1083951249 ZUQBPJYYCNWPPO-LSCVHKIXSA-N 596.346 4.340 10 10 KICE C[C@@H]1C[C@H]1c1ccc(CN(C(=O)CN2C(=O)/C(=C\c3ccc(Cl)cc3)SC2=S)[C@H]2CCS(=O)(=O)C2)o1 1615296201 LRELHISQNTZOOJ-DLVKNRNASA-N 565.138 4.474 10 10 KICE O=C1c2ccccc2C(=O)c2c(NC(=O)C3CCN(C(=O)/C=C/c4ccc([N+](=O)[O-])cc4)CC3)cccc21 1860596977 FODMXEMUPLZJJT-JLHYYAGUSA-N 509.518 4.261 10 10 KICE Cc1ccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3Cc3cccc(F)c3)[C@@H]2c2ccc(O)c(O)c2)cc1 1864012029 PLJXNBTYWBUQKA-VWLOTQADSA-N 514.557 4.110 10 10 KICE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCc1ccc3c(c1)OCO3)[C@H]2c1ccc(O)c(O)c1 1864015480 AEPIZGQZXWPUEF-DEOSSOPVSA-N 540.576 4.111 10 10 KICE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCC1)=C(N)O2 1865034859 GKDZTRVNTGVAFI-QFIPXVFZSA-N 509.006 4.266 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)C[C@@H](C)c3cccc(Cl)c3)CC2)cc1 1868995773 VJQQRIJZQDAWPB-DVECYGJZSA-N 504.096 4.429 10 10 KICE CCCn1c(C(=O)N2CCc3ccccc3C2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873548754 IJYKJIPVRLHIFM-UHFFFAOYSA-N 510.642 4.375 10 10 KICE COc1ccc(OCC(=O)Nc2ccc(C(=O)CCN3CCN(c4ccc(OC)cc4)CC3)cc2)cc1 1874753517 JAEHGXWZICSNNA-UHFFFAOYSA-N 503.599 4.116 10 10 KICE COc1ccc(CN2C(=O)C(=Cc3c(NC[C@H](O)c4ccccc4)nc4ccccn4c3=O)SC2=S)cc1 2296545973 DNSWNGGAYTVKRP-QFIPXVFZSA-N 544.658 4.250 10 10 KICE CCOC(=O)c1ccc(NC(=O)CCN2C(=O)C(=Cc3ccc(O)c(OCC)c3)SC2=S)cc1 2314827796 MMSCKJWVCOMXHH-UHFFFAOYSA-N 500.598 4.198 10 10 KICE CCOC(=O)c1c(NC(=O)C(=O)N[C@H](CC(C)C)C(=O)O)sc(C)c1-c1ccc(Br)cc1 1860758202 GJYCROFRHNQAFL-OAHLLOKOSA-N 525.421 4.217 10 10 KICE CCOC(=O)c1c(NC(=O)C(=O)Nc2nc3c(s2)CN(C)CC3)sc(C)c1-c1ccc(F)cc1 1860766945 FLSAJRFGCTZERG-UHFFFAOYSA-N 502.593 4.061 10 10 KICE Cc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C(=O)NCCOC(C)C)[C@H]3c2ccc(O)c(O)c2)cc1 1864014631 ZJEDLDIQWNJJHU-VWLOTQADSA-N 540.620 4.495 10 10 KICE CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1c[nH]c2ccccc12 1865366601 CQNWBUBXOJTPQL-SANMLTNESA-N 526.641 4.135 10 10 KICE C[C@H](C(=O)N[C@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(Br)cc1 1866933392 GQISEFPLZWFMGL-LSDHHAIUSA-N 505.368 4.471 10 10 KICE CC(=O)Nc1cccc(C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867638020 HELNCGCSWXALMF-FIRIVFDPSA-N 571.722 4.101 10 10 KICE COc1ccc(CCN2C(=O)C(NC3CCN(C)CC3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873170619 IFMQSBDRXURTJP-UHFFFAOYSA-N 512.654 4.109 10 10 KICE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)Nc3ccc(OC)c(Cl)c3)n4C)CC2)cc1 1873650292 HITRUUAKIGBICD-UHFFFAOYSA-N 506.994 4.218 10 10 KICE CCCC[C@H](CC)CN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2N2CCN(C)CC2)SC1=S 33812514 BTJHZFHQNKMVPX-UQRWVXEISA-N 515.749 4.218 10 10 KICE COc1ccc(N2CCN(c3nc(SCc4ccc(C(=O)N5CCN(C)CC5)cc4)nc(C)c3C)CC2)cc1 103048485 QFUPOQHFUMRPHJ-UHFFFAOYSA-N 546.741 4.109 10 10 KICE CC1=NN(c2ccccc2)C(=O)C1=c1sc(=C2Sc3ccccc3N2C)c(=O)n1-c1cccc(C)c1 254763665 QBHSPJDKABDOMC-UHFFFAOYSA-N 510.644 4.089 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c3ccccc3)CC2)cc1 1861916762 AWHMWGZNIRLCHH-XMMPIXPASA-N 508.962 4.077 10 10 KICE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccn1)=C(N)O2 1864013268 UPYVRDIKLKSPNX-DEOSSOPVSA-N 546.027 4.355 10 10 KICE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCc3ccccc3C1)[C@H]2c1ccc(O)c(O)c1 1865033554 CIKWNTFTINGLEW-IBGZPJMESA-N 514.504 4.003 10 10 KICE CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1ccc(F)cc1F 1865424388 BOLRYLISGWTNCZ-DEOSSOPVSA-N 537.611 4.186 10 10 KICE O=C(CC(c1ccc(F)cc1)c1ccc(F)cc1)N[C@@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866755440 DMOJUMROEAGBEV-MHZLTWQESA-N 554.549 4.378 10 10 KICE Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)NCC(=O)NC[C@H](c4ccc(N(C)C)cc4)N4CCCCC4)cc3C2=O)c1 1867483425 RHRTZZSRMIEZAV-SSEXGKCCSA-N 581.717 4.243 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)CCc3csc(-c4ccccc4)n3)CC2)cc1 1868900342 QXDXFWPCBDVIAF-RUZDIDTESA-N 538.739 4.338 10 10 KICE COC(=O)c1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCn3ccnc3)C2=O)cc1 1873423168 HZPBWARGCRYCPI-UHFFFAOYSA-N 523.593 4.360 10 10 KICE Cc1cccn2c(=O)c(C=C3SC(=S)N(CCCCCC(=O)O)C3=O)c(N3CCN(c4ccccc4F)CC3)nc12 2314408569 GXSQVADCOLSMDJ-UHFFFAOYSA-N 595.722 4.315 10 10 KICE Cc1ccc2nc(N3CCC[C@H](C)C3)c(C=C3SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(=O)n2c1 2314414116 QBTBWDAOEKADHC-INIZCTEOSA-N 534.663 4.369 10 10 KICE N=C1/C(=C\c2cn(Cc3ccc4c(c3)OCO4)c3ccccc23)C(=O)N=C2SC(c3cccnc3)=NN12 2412878 LRUSRRDLQFMTJZ-CPGQCLDFSA-N 506.547 4.481 10 10 KICE COC(=O)[C@@H]1[C@H](c2ccc(OC)c(OC)c2OC)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12 33794748 PCOLEOKCAUWMCO-DSITVLBTSA-N 525.557 4.319 10 10 KICE biogenic COc1ccc(N2CCN(S(=O)(=O)c3cc(C(=O)Nc4ccc(Br)cc4)ccc3F)CC2)cc1 98049739 YTLWRXDIMXIGGT-UHFFFAOYSA-N 548.434 4.360 10 10 KICE COc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)ccc1OCC(=O)Oc1ccc(C=O)cc1OC 100844383 AVUJTHQJXLTUPY-FMCGGJTJSA-N 539.587 4.495 10 10 KICE Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3/C(=N)N4N=C(COc5ccccc5)SC4=NC3=O)cc2)cc1 107277993 IZJAPTIPBPRFQN-ZKNSXIRRSA-N 532.603 4.461 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)cc3O)c(=O)n2[C@H]1c1ccc(Br)cc1 252671575 NPYFYZYMBUDPHU-DEOSSOPVSA-N 570.509 4.113 10 10 KICE CC(C)(C)C(=O)OC[C@H](N=[N+]=[N-])[C@H]1O[C@@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C 1775956673 JLKYKJIAGQRDOG-PNKHAZJDSA-N 541.642 4.485 10 10 KICE in-vitro CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccccc1)=C(N)O2 1864009553 AMYJDXWXNDENAB-VWLOTQADSA-N 510.594 4.290 10 10 KICE COCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@@H]1c1ccc(O)c(O)c1 1864014587 YXPVZXZJUWFWKI-QFIPXVFZSA-N 532.984 4.061 10 10 KICE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCCc1ccccc1)[C@@H]2c1ccc(O)c(O)c1 1864016000 HDUDTXRANQYKFX-XMMPIXPASA-N 510.594 4.425 10 10 KICE CC(C)C[C@H](C(=O)O)N1C(=O)c2ccc(C(=O)N[C@H](Cc3ccc(O)cc3)C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O 1867470444 STUPHYJNUARYFL-SXLOSVNLSA-N 697.833 4.238 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(OC(C)=O)cc3)NC(=O)/C(C)=C/c3ccccc3)CC2)cc1 1868745736 UHARERSVXPQAIK-CVSSFELZSA-N 541.648 4.100 10 10 KICE Cc1ccc(C2=NN3C(=N)C(=Cc4ccccc4OS(=O)(=O)c4ccccc4)C(=O)N=C3S2)cc1 2293117034 CNFLMLZLRFZTDM-UHFFFAOYSA-N 502.577 4.430 10 10 KICE CN(C)c1ccc(C=C(NC(=O)c2ccccc2Br)C(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc1 2297504489 MPKFPYYFFKYHDD-RTWAWAEBSA-N 561.480 4.094 10 10 KICE Cc1c(N2C(=O)C(=Cc3c(NCc4ccco4)nc4ccccn4c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C 2314413626 COFGRSIFDJFQPK-UHFFFAOYSA-N 570.656 4.103 10 10 KICE C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C3SC(=S)N(CCC(=O)O)C3=O)c2)C[C@@H](C)O1 2314475943 GCYCZONNJIYWEQ-RTBURBONSA-N 612.755 4.013 10 10 KICE COc1ccc(N2CCN(CCCNC(=O)c3ccc4c(c3)NC(=O)c3ccccc3S4)CC2)cc1 9971972 ZFEDKRXVIPXVAC-UHFFFAOYSA-N 502.640 4.354 10 10 KICE CCCOc1ccc(S(=O)(=O)NC[C@@H](c2ccco2)N2CCN(c3ccc(OC)cc3)CC2)cc1C 38619486 HZQIUDLXVSDFQX-VWLOTQADSA-N 513.660 4.227 10 10 KICE Cc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C/c2c(C)nn(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2C)C1=O 103811985 LVLUAVVSIFDBFP-YVLHZVERSA-N 569.328 4.043 10 10 KICE CCOc1cccc(C2=C(O)C(=O)N(c3ccc(N4CCN(C)CC4)cc3)[C@H]2c2ccc(O)c(O)c2)c1 526386482 BMNJMICKNFRFMS-MHZLTWQESA-N 501.583 4.306 10 10 KICE CCc1ccc(-c2nc3cc(C(=O)N[C@H](C)C(=O)N4CCN(c5ccc(OC)cc5)CC4)ccc3[nH]2)cc1 1862100386 LPPGRXNNLNCNSW-HXUWFJFHSA-N 511.626 4.268 10 10 KICE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccco1)=C(N)O2 1864010152 IVQGOSIRPAXBTN-JOCHJYFZSA-N 520.973 4.493 10 10 KICE CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1ccc(F)cc1 1865525106 RRJUUSHLGVNFPY-DEOSSOPVSA-N 519.621 4.047 10 10 KICE CC[C@@](C)(NC(=O)c1cc(C)n(-c2ccccc2)n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866841300 WMEGENCEQVBQFD-SSEXGKCCSA-N 506.562 4.493 10 10 KICE CC(=O)Nc1cccc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867638021 HELNCGCSWXALMF-IOWSJCHKSA-N 571.722 4.101 10 10 KICE CCCC[C@H](NC(=O)CCc1csc(-c2ccccn2)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868908782 RNDGUNPQHFIOAZ-VWLOTQADSA-N 521.687 4.170 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCN(c5ccccc5NC(C)=O)CC4)nc(C(C)(C)C)n3)CC2)cc1 1869187938 PGHQEDFFHONEPL-UHFFFAOYSA-N 543.716 4.394 10 10 KICE CC(=O)NCCN1C(=O)C(Nc2ccccc2OC(C)C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422465 YOYKQSVRIVQFJP-UHFFFAOYSA-N 500.599 4.209 10 10 KICE CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OCCOc4ccc(Cl)c(C)c4)cc3)C(=N)N21 2297345500 BZWKMAVZQKUMGC-UHFFFAOYSA-N 533.031 4.118 10 10 KICE Cc1cc(C)cc(OCCOc2ccc(C=C3C(=N)N4N=C(CC(=O)N5CCCC5)SC4=NC3=O)cc2)c1 2297468561 ISMBIVXRFFODAM-UHFFFAOYSA-N 531.638 4.393 10 10 KICE Cc1cc(C=C2C(=O)N(C)c3ccc(S(=O)(=O)N4CCOCC4)cc32)c(C)n1-c1ccc(N2CCOCC2)c(Br)c1 2297508955 BUVBOXQISWBIEO-UHFFFAOYSA-N 641.588 4.231 10 10 KICE O=C(O)CCCCCN1C(=O)/C(=C\c2c(Oc3ccc(F)cc3)nc3ccccn3c2=O)SC1=S 39835683 JDKXXEXNVQNBCC-NBVRZTHBSA-N 513.572 4.472 10 10 KICE Cc1c(N2C(=O)/C(=C\c3c(N4CCC[C@@H](C)C4)nc4ccccn4c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C 100885911 APEBNJSBXNOSAA-IPEVAPCJSA-N 572.716 4.134 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)c(=O)n2[C@H]1c1cccs1 252666431 BMCGBNOFRRQPQP-SANMLTNESA-N 575.712 4.362 10 10 KICE CC[C@H](C)NC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2CC(C)C)[C@@H]1c1ccc(O)c(O)c1 1864017762 UQRTUVPICUJJQA-AOMKIAJQSA-N 506.603 4.235 10 10 KICE CCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccccc1)=C(N)O2 1864018225 GDPXHIMLKVRUOZ-VWLOTQADSA-N 528.584 4.098 10 10 KICE COC(=O)c1c(NC(=O)CNS(=O)(=O)c2ccc(C)cc2)sc(C)c1-c1ccc(Br)cc1 1866113864 YQGKVZCGRXYUBV-UHFFFAOYSA-N 537.457 4.498 10 10 KICE Cn1nc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1-c1ccco1 1867240899 SAVWQGWYHZGCIO-DEOSSOPVSA-N 560.566 4.141 10 10 KICE CC[C@@H](NC(=O)c1ccccc1I)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867858868 XEWGYSPTFKAXDK-DNQXCXABSA-N 562.496 4.209 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCNC(=O)[C@H]4c4ccc(F)cc4)nc(-c4cccc(OC)c4)n3)CC2)cc1 1869316749 IEMNLRWBIHDOJW-SSEXGKCCSA-N 568.653 4.304 10 10 KICE CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OCCOc4c(C)cccc4C)c(Cl)c3)C(=N)N21 2297345646 ORIBRUSEADGWDJ-UHFFFAOYSA-N 547.058 4.426 10 10 KICE COCCN1C(=O)c2ccccc2[C@@H](C(=O)N2CCN(c3ccc(OC)cc3)CC2)[C@@H]1c1ccc(F)cc1 9780709 GVPFBQJSHGEAEX-IZLXSDGUSA-N 517.601 4.110 10 10 KICE CS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(OCc4ccc(Cl)c(Cl)c4)cc3)C(=O)N=C2S1 20207765 UXCAUGVIWIVVKR-FCASDSMHSA-N 509.396 4.194 10 10 KICE CCCCn1c(N2CCCC2)c(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)c(C)c(C#N)c1=O 33813471 HWNULJOHYZTIGP-HKWRFOASSA-N 516.689 4.275 10 10 KICE O=C1C(O)=C(c2cccs2)[C@H](c2ccc(O)c(O)c2)N1c1ccc(S(=O)(=O)Nc2ccccn2)cc1 526266959 HSPJTWRWOBOIGC-QHCPKHFHSA-N 521.576 4.412 10 10 KICE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4CC(C)C)[C@@H]3c3cccc(C)c3)CC2)cc1 1865559691 CKRUIULAOUQCKM-SANMLTNESA-N 515.658 4.208 10 10 KICE C[C@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867618578 NHUIRVQKWZYFGW-YUDQIZAISA-N 581.717 4.011 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](CSCc3ccccc3)NC(=O)c3cc(-c4ccco4)on3)CC2)cc1 1868632638 TZYYDAOSTHCVBK-VWLOTQADSA-N 546.649 4.324 10 10 KICE CC[C@H](CC(=O)N[C@H](C)C(=O)N1CCN(c2ccc(OC)cc2)CC1)c1cc(Br)ccc1OC 1868964394 QLSOFRWCBXERGC-RTBURBONSA-N 532.479 4.204 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3cc(C4CC4)n4nc(C(C)(C)C)cc4n3)C(C)C)CC2)cc1 1868998557 CQQXTOZPZYUXNE-MHZLTWQESA-N 532.689 4.016 10 10 KICE CC(=O)Nc1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCc3cnc[nH]3)C2=O)c1 1873426093 NRLCQTQJHBQXDQ-UHFFFAOYSA-N 508.582 4.210 10 10 KICE COc1ccc(OCCNC(=O)CCn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)cc1 1873960735 JAKFKGMHRKZCLI-UHFFFAOYSA-N 508.578 4.168 10 10 KICE O=C1NC(=S)N(c2cccc(Br)c2)C(=O)C1=Cc1cc(I)cc(I)c1O 2294259094 ILLWEPDSJIRDST-UHFFFAOYSA-N 655.049 4.195 10 10 KICE Cc1ccc(CN2C(=O)C(=Cc3c(N4C[C@H](C)O[C@H](C)C4)nc4ccccn4c3=O)SC2=S)cc1 2314399821 DZEDVTMJPUKZAM-HDICACEKSA-N 506.653 4.018 10 10 KICE Cc1cc(C)cc(Oc2nc3c(C)cccn3c(=O)c2C=C2SC(=S)N(CCCC(=O)O)C2=O)c1 2314509567 WHVLWJACBOADOF-UHFFFAOYSA-N 509.609 4.478 10 10 KICE CC[C@](C)(NC(=O)C=Cc1ccc(Br)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2328571766 TVLMXHZVXSEELN-VWLOTQADSA-N 500.437 4.105 10 10 KICE Cc1c(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)c(NCCc2ccccc2)n(C)c(=O)c1C#N 40066559 DAZTYHFBMHQDAP-QNGOZBTKSA-N 524.668 4.066 10 10 KICE CCCn1c(=O)/c(=C2/C=Cc3ccccc3N2CC)s/c1=C1\SC(=S)N(C2CCCCC2)C1=O 100181142 BYIBOCUFOTWOIB-MCDNAADFSA-N 511.738 4.283 10 10 KICE O=C1c2ccccc2C(=O)c2cc(CN3C(=O)[C@@H]4[C@H](C(=O)O)N[C@H](c5ccc(-c6ccccc6)cc5)[C@@H]4C3=O)ccc21 102461179 GGHMOWKTCFFZFF-VJLHXPKFSA-N 556.574 4.028 10 10 KICE NS(=O)(=O)c1ccc(NC(=O)CCCCCN2C(=O)/C(=C/C=C\c3ccccc3)SC2=S)cc1 210748045 ZXPVNGWHAOLUJF-XZSIZXQSSA-N 515.682 4.291 10 10 KICE [N-]=[N+]=NCCc1ccc(O)c(N=Nc2ccc(C(=O)NCCOCCOCCOCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]34)cc2)c1 888087540 VQJUOWXTLWKWGJ-DEDOGFMKSA-N 711.846 4.282 10 10 KICE Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC13CC4CC(CC(C4)C1)C3)=C(N)O2 1864008728 QQKMVGRZOLLAHI-LFBDGUEQSA-N 526.637 4.431 10 10 KICE Cc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1F)=C(N)O2 1864012226 UUJBOWXCSQUZSR-DEOSSOPVSA-N 534.975 4.455 10 10 KICE CC(C)NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1864016070 ZNHCSOPYASHDMX-KRWDZBQOSA-N 522.911 4.234 10 10 KICE CCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(F)cc1)=C(N)O2 1864018141 DEKUKYZLQOMLJP-VWLOTQADSA-N 546.574 4.237 10 10 KICE NC1=C(C(=O)N2CCCC2)[C@@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3ccc(Cl)cc3)c2O1 1865032106 VUEZHVZNIGSHLK-KRWDZBQOSA-N 520.895 4.273 10 10 KICE CCOc1ccc([C@H]2C(C(=O)N3CCN(c4ccc(OC)cc4)CC3)=C(N)Oc3c2c(C)nn3CC(C)C)cc1 1865275840 IFANMVJRVDWVAJ-HHHXNRCGSA-N 545.684 4.298 10 10 KICE C[C@H](NC(=O)c1cc(C2CC2)n2nc(C(C)(C)C)cc2n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867181790 NADMAGZEZCDUBO-INIZCTEOSA-N 535.604 4.437 10 10 KICE CC[C@](C)(NC(=O)c1ccc(OC)c(OC)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867313543 DYVILQOQWVGCOF-OUTSHDOLSA-N 510.679 4.012 10 10 KICE CC[C@](C)(NC(=O)c1ccc([N+](=O)[O-])c(C)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867872428 BWHHAPTXQSVVQD-LSYYVWMOSA-N 509.651 4.211 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCC(Cc5ccc([N+](=O)[O-])cc5)CC4)nc(C)n3)CC2)cc1 1869297056 VMSQZMLLTXREKI-UHFFFAOYSA-N 502.619 4.488 10 10 KICE CCOC(=O)C1CCN(c2nc3c(C)cccn3c(=O)c2C=C2SC(=S)N(Cc3ccc(OC)cc3)C2=O)CC1 2296929518 CKQAPLDQLFFOAJ-UHFFFAOYSA-N 578.716 4.192 10 10 KICE Cc1cc(C=C2C(=O)N(C)c3ccc(S(=O)(=O)N4CCOCC4)cc32)c(C)n1-c1ccc(Cl)cc1 2297508832 OMDSPPLZCXNHSZ-UHFFFAOYSA-N 512.031 4.285 10 10 KICE COc1ccc(CCN2C(=O)C(=Cc3c(N4CCCCC4)nc4c(C)cccn4c3=O)SC2=S)cc1OC 2314414232 SYRCAHXHXNUFPG-UHFFFAOYSA-N 550.706 4.454 10 10 KICE CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccccc3C)C2=O)ccc1OCC(=O)N1CCCCC1 2314768657 KNGBYVUHJQFHTI-UHFFFAOYSA-N 539.679 4.331 10 10 KICE COC(=O)CCCCCN1C(=O)/C(=C\c2ccc(OCC(=O)N3CCCCC3)c(OC)c2)SC1=S 40928037 BAOPDXNNMKDQJA-LTGZKZEYSA-N 520.673 4.021 10 10 KICE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCCOc4c(C)cccc4C)c(Cl)c3)C(=N)N21 101395727 ORIBRUSEADGWDJ-ACKDDNJSSA-N 547.058 4.426 10 10 KICE O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1sc2c(c1C(=O)NCc1cccnc1)CCC2 207822032 PJZMBOWJKCXTDC-VCHYOVAHSA-N 540.717 4.463 10 10 KICE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)NCCc2ccc(F)cc2)[C@H]3c2ccc(O)c(O)c2)cc1 1864008407 JXPBQOCIPISPOR-SANMLTNESA-N 528.584 4.152 10 10 KICE COc1ccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3-c3cccc(Cl)c3)[C@@H]2c2ccc(O)c(O)c2)cc1 1864009084 YYJBVEKXXQZUDC-DEOSSOPVSA-N 532.984 4.265 10 10 KICE CCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1F)=C(N)O2 1864018191 FGVCONAIRRWRCF-XMMPIXPASA-N 532.547 4.194 10 10 KICE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1ccc(F)cc1)[C@@H]2c1ccc(O)c(O)c1 1864022764 QPUBXMISFJACPQ-GOSISDBHSA-N 520.483 4.119 10 10 KICE CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(N3CCCCC3)CC1)=C(N)O2 1865032669 HXJOEZOPBMTPPX-SANMLTNESA-N 543.668 4.017 10 10 KICE Cc1oc(-c2ccc(F)cc2)nc1CC(=O)N[C@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866659133 LJLUWPLGJQTUTI-OAHLLOKOSA-N 511.509 4.250 10 10 KICE CCCC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867830781 DBZMXHUPGVYNBZ-FTJBHMTQSA-N 554.648 4.201 10 10 KICE COCCN1[C@@H](C)CN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(-c3ccccc3C)n2)C[C@H]1C 1869149638 UWXNGJVSJIDAIB-PLQXJYEYSA-N 530.717 4.333 10 10 KICE COc1ccc(N2CCN(c3nc(=NC(=O)c4ccc(F)cc4)n(-c4cccc(Cl)c4)[nH]3)CC2)cc1 1869970829 RECRHWRQVSCKCW-UHFFFAOYSA-N 506.969 4.069 10 10 KICE CCOC(=O)CCCOc1cn(CCNC(C)=O)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870797436 JGEHOQWBQYYRDJ-UHFFFAOYSA-N 506.603 4.062 10 10 KICE CCOCCCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3c(C)cccc3C)c3ccccc32)SC1=S 2296713552 IWWGSEKYNAGZSF-UHFFFAOYSA-N 509.653 4.287 10 10 KICE COc1ccc(N2CCN(C(=O)C3CCN(S(=O)(=O)c4c(C)noc4C=Cc4ccc(C)cc4)CC3)CC2)cc1 2297402614 VOMXFTWUDFUJIG-UHFFFAOYSA-N 564.708 4.220 10 10 KICE COc1ccc(C(=O)Oc2c(Br)cc(C=C3C(=N)N4OC(C)=CC4=NC3=O)cc2OC)cc1OC 2297499398 AMEXMDXTNIUJBS-UHFFFAOYSA-N 542.342 4.144 10 10 KICE C[C@H]1CN(C2=NC(=O)C(=Cc3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N4C[C@H](C)O[C@H](C)C4)c3)S2)C[C@@H](C)O1 2314476618 RUSYVENEAPWPLL-MESAYYPLSA-N 621.785 4.417 10 10 KICE CCOc1cc(C=C2SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)ccc1O[C@H](C)C(=O)O 2314935891 SOQVEKVCLGPRTP-GFCCVEGCSA-N 506.989 4.137 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)C=Cc3ccc(Cl)c(Cl)c3)CC2)cc1 2330534636 VJDSPAHEFLEJQS-JOCHJYFZSA-N 506.455 4.266 10 10 KICE CC(C)(C)C(=O)OC[C@H]1O[C@@H](N=[N+]=[N-])[C@@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C 5848055 ZRIINKFKQWXADE-DFBDCSAJSA-N 541.642 4.485 10 10 KICE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(NC[C@H](O)c3ccccc3)nc12 102994715 UPHAYWDQYDSTEP-UQQIOGDDSA-N 572.668 4.279 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(C)C)c(Br)c3)c(=O)n2[C@@H]1c1ccccc1Cl 252672164 PKEDZJGPQYWAQD-JOCHJYFZSA-N 560.901 4.280 10 10 KICE CC[C@](C)(NC(=O)CCc1ccc(Br)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861952256 SOPJTKPYGUBCDC-VWLOTQADSA-N 502.453 4.024 10 10 KICE CCN(CC)CCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2cccc3ccccc23)[C@H]1c1ccc(O)c(O)c1 1864011236 SDHZBOUQJVDPQO-HHHXNRCGSA-N 541.652 4.288 10 10 KICE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCc3ccccc3C1)[C@@H]2c1ccc(O)c(O)c1 1865031671 LUUHENNWQCHLAE-XMMPIXPASA-N 508.578 4.261 10 10 KICE CCN(CC)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(F)c2)[C@@H]1c1ccc(O)c(O)c1 1865034367 UZEAEIUSCRVOCM-SFHVURJKSA-N 520.483 4.064 10 10 KICE Cc1ccccc1-c1nc(CC(=O)N[C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c(C)o1 1866642162 RERXWCOJLNUMFO-QGZVFWFLSA-N 507.546 4.420 10 10 KICE CCOc1ccc(Nc2nc(=NCc3ccccc3)nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]2)cc1 1871530355 BYWNJXGMTKGFJP-UHFFFAOYSA-N 511.630 4.383 10 10 KICE O=C1NC(=S)N(c2cccc(Br)c2)C(=O)C1=Cc1cc(Br)c(O)c(I)c1 2294259177 QDLMYCORFUDGDX-UHFFFAOYSA-N 608.049 4.353 10 10 KICE CC(C)c1nc2c(Cl)cc(C(F)(F)F)cn2c1C=C1SC(=S)N([C@@H](CCC(N)=O)C(=O)O)C1=O 2323813754 YPBUKFMBJARDTR-NSHDSACASA-N 534.969 4.050 10 10 KICE CC(C)(C)c1ccc(OCCN2C(=O)C(=C3SC(=S)N(CCC(=O)O)C3=O)c3ccccc32)cc1 2326944974 YAAWLPXWLFTCSZ-UHFFFAOYSA-N 510.637 4.456 10 10 KICE Cc1ccc(CNC(=O)[C@@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)c(O)c1Br 2327800414 KEWIGERFUFMFAI-LJQANCHMSA-N 506.441 4.105 10 10 KICE Cc1cccc(N2C(=O)N=C(O)/C(=C/c3c(C)nn(-c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3C)C2=O)c1C 59858754 MDANUJLPAUTWMM-WQRHYEAKSA-N 504.459 4.429 10 10 KICE CCc1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(SCc2ccc(C(=O)N3CCN(C)CC3)cc2)n1 98015018 FYKPIJXIJYMPBV-UHFFFAOYSA-N 546.741 4.054 10 10 KICE CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(C)cc4)cc3)C2=O)c1 1083902074 MPWHNWHXNHHCJU-JLPGSUDCSA-N 543.576 4.476 10 10 KICE CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C/c3cc(I)c(NC)c(I)c3)C2=O)c1 1084236294 YVEYXZFFHFEBGZ-ZSOIEALJSA-N 661.234 4.401 10 10 KICE CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(sc(=Cc3ccc(N(CC)CC)cc3)c2=O)=N1 1084475059 BXZRAUMFLSGPQQ-MUUNZHRXSA-N 563.720 4.442 10 10 KICE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCC(C)C)=C(N)O2 1864018549 NPEAWMFYQZTFBQ-QFIPXVFZSA-N 511.022 4.415 10 10 KICE Cc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](C)C1)=C(N)O2 1865027610 JTMIVNLYNLPFDZ-FPTDNZKUSA-N 539.430 4.308 10 10 KICE O=C(N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(C2CC2)on1 1867151855 PWZFAORRUUCSBJ-QHCPKHFHSA-N 521.529 4.013 10 10 KICE CCOC(=O)Oc1ccc(C(=O)N[C@H](CC)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867299856 UTXQDNCACXWAPJ-FTJBHMTQSA-N 524.662 4.140 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(N4CCN(C)CC4)cc3)C(=O)N(CCCCN(C)C)C2=O)cc1 1873425213 SBLQIYIVRJNRGL-UHFFFAOYSA-N 554.739 4.380 10 10 KICE COCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCCC3=CCCCC3)ncnc21 1875230180 WUDYSKPZMADBHW-UHFFFAOYSA-N 518.662 4.351 10 10 KICE COc1ccc(-n2c(C)cc(C(=O)COC(=O)C=Cc3c(C)nn([C@@H]4CCS(=O)(=O)C4)c3Cl)c2C)cc1 2042441587 ZDLWUBFECMQTPJ-HXUWFJFHSA-N 546.045 4.060 10 10 KICE COc1cc(C=C2C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OCCOc1ccc(NC(C)=O)cc1 2297347350 UHMRQINYBFFIGD-UHFFFAOYSA-N 521.599 4.387 10 10 KICE COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)c(C)cc3Br)C2=O)cc(I)c1OC 1083898324 NSPKUQVGVARCNS-NTUHNPAUSA-N 585.192 4.354 10 10 KICE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C(F)(F)F)nn4C)[C@@H]3c3ccccc3Cl)CC2)cc1 1865164828 UOZVPFKZXPZPBS-IBGZPJMESA-N 547.965 4.144 10 10 KICE CN(C)c1ccc([C@H](CNC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)c2ccc([N+](=O)[O-])cc2)N2CCCCC2)cc1 1867357625 LHPSOUIONPJWMH-WDYNHAJCSA-N 561.658 4.484 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)Cc3ccc4nc(O)c(C)cc4c3)c3ccccc3)CC2)cc1 1868814010 GDCOPWJUTFOUIY-GDLZYMKVSA-N 524.621 4.006 10 10 KICE COc1ccc(N2CCN(c3cc(N4Cc5cc(OC)c(OC)cc5C(C)(C)C4)nc(C)n3)CC2)cc1 1869303246 VNICRBUFFXEBDT-UHFFFAOYSA-N 503.647 4.435 10 10 KICE COc1ccc(N2CCN(Cc3cc(=O)c(OCCc4ccccc4)cn3Cc3ccccn3)CC2)cc1 1870691129 LGZKBFHZKZOEPP-UHFFFAOYSA-N 510.638 4.244 10 10 KICE CCOC(=O)C1CCN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(C3CCCCC3)C2=O)CC1 2297460318 CCWLENVKFFKUNY-UHFFFAOYSA-N 526.684 4.008 10 10 KICE Cc1c(N2C(=O)C(=Cc3c(NC4CCCC4)nc4ccccn4c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C 2314414291 VHUZOXREMRTKEU-UHFFFAOYSA-N 558.689 4.253 10 10 KICE CCCC[C@H](NC(=O)C=Cc1ccc(OCC)c(OC)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2330611565 ZOZOMOYJSMTXBM-VWLOTQADSA-N 509.647 4.140 10 10 KICE COc1ccc(CN2C(=O)/C(=C/c3c(N4CCCCC4)nc4ccc(C)cn4c3=O)SC2=S)cc1 35300211 DFDZCUGDRXOBFZ-STZFKDTASA-N 506.653 4.403 10 10 KICE CCCn1c(N2CCN(CC)CC2)c(/C=C2\SC(=S)N(Cc3ccc(F)cc3)C2=O)c(C)c(C#N)c1=O 110524579 GPHBJUYNNMNHQU-HAHDFKILSA-N 539.702 4.121 10 10 KICE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2ccccc2N2CCOCC2)[C@H]1c1ccc(O)c(O)c1 526501574 LNGYXVPCHGJXBK-SANMLTNESA-N 518.566 4.399 10 10 KICE [N-]=[N+]=NCCc1ccc(O)c(/N=N/c2ccc(C(=O)NCCOCCOCCOCCNC(=O)CCCC[C@@H]3SC[C@H]4NC(=O)N[C@H]43)cc2)c1 643961302 VQJUOWXTLWKWGJ-PNZHSJHHSA-N 711.846 4.282 10 10 KICE COC(=O)COc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1Br 1083894333 ZOCDRMKBHQWYPY-MLPAPPSSSA-N 572.593 4.083 10 10 KICE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCC(C)C)=C(N)O2 1864018978 FWRNSBMGSLXOHX-DEOSSOPVSA-N 504.631 4.379 10 10 KICE CCc1nn(CC)c2c1[C@H](c1c(F)cccc1Cl)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865149152 CXQDBAKFIYYATA-DEOSSOPVSA-N 540.039 4.310 10 10 KICE COc1cc(Cl)c(OC)c2c(=O)c(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)c[nH]c12 1866440398 FONOLZGQIKFHSK-OAQYLSRUSA-N 513.038 4.222 10 10 KICE CN(C)c1ccc([C@H](CNC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)N2CCCCC2)cc1 1867698523 ZJXCPASDDJNAEN-SAIUNTKASA-N 682.287 4.111 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCCCN(C)C)C(=O)N(CCCc3nc4ccccc4[nH]3)C2=O)cc1 1873165660 OQYXGVXEIXTMKY-UHFFFAOYSA-N 524.669 4.224 10 10 KICE COc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C[C@H]3CCCO3)C2=O)c(OC)c1 1873419655 OEKSWDBHQKEPDH-HSZRJFAPSA-N 501.583 4.482 10 10 KICE COc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCNC(C)=O)C2=O)cc1Cl 1873422492 ZZCMJWBDAVTXMD-UHFFFAOYSA-N 506.990 4.084 10 10 KICE CCOc1ccc(C)cc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCNC(C)=O)C1=O 1873424800 WWSVHNCMJCMFBG-UHFFFAOYSA-N 500.599 4.129 10 10 KICE CCOC(=O)COc1c(Br)cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1Br 2313558612 FTLNABHGPXNBBU-UHFFFAOYSA-N 586.233 4.124 10 10 KICE Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccc(F)cc4)C3=O)c(N3C[C@H](C)O[C@@H](C)C3)nc12 2314400162 JMEFQFFUYRVHLZ-IRXDYDNUSA-N 524.643 4.157 10 10 KICE CCOc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)ccc1OCc1ccc(C(=O)O)o1 9260116 YOVBEYVORJHANU-UNOMPAQXSA-N 504.495 4.239 10 10 KICE CCN(CC)C(=O)COc1ccc(-c2c(C)sc(NC(=O)C(=O)NCc3ccc(F)cc3)c2C(=O)OC)cc1 1860764100 ZHKXDPFTXWFOOK-UHFFFAOYSA-N 555.628 4.151 10 10 KICE CCOCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1864007223 HYCNMWCZUOFHNO-OAQYLSRUSA-N 533.412 4.136 10 10 KICE CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOc1ccccc1)=C(N)O2 1864010551 NLMRKQIJFPKLRR-VWLOTQADSA-N 526.593 4.126 10 10 KICE CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1cccc(F)c1 1865553589 UJBCUWKEZTYTQB-XMMPIXPASA-N 519.621 4.047 10 10 KICE CN(C)c1ccc([C@H](CNC(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccc(C(=O)O)cc3C2=O)N2CCCCC2)cc1 1868025084 KEKBBYICXVITGB-VMPREFPWSA-N 568.674 4.002 10 10 KICE Cc1ccc2nc(N3CCN(c4ccc(F)cc4)CC3)c(C=C3SC(=S)N(C(C)C)C3=O)c(=O)n2c1 2296846656 NLHPOIXQIHBVKV-UHFFFAOYSA-N 523.659 4.078 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H]3c4cc(OC)c(OC)cc4C(=O)N(C)[C@H]3c3ccccc3F)CC2)cc1 4760728 BYFQUMJVTKNWJO-NSOVKSMOSA-N 533.600 4.111 10 10 KICE CCOc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC)ccc1OCCSc1ccccc1 101395470 DXYIPUNDRABJGM-OCTOJFLBSA-N 544.680 4.268 10 10 KICE Cc1ccc2nc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)c(/C=C3\SC(=S)N(C4CCCC4)C3=O)c(=O)n2c1 105469906 SMYRKCHLKXKILW-MYYYXRDXSA-N 589.743 4.198 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)/C=C/c3ccc(Cl)cc3)CC2)cc1 1861947385 YGLNWPCNDQDGOA-FFFSVGICSA-N 504.030 4.438 10 10 KICE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)c3ccc4[nH]c(-c5ccc(F)cc5)nc4c3)CC2)cc1 1862095209 DFGQIAHLBWVEPH-UHFFFAOYSA-N 515.589 4.235 10 10 KICE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccccc1)=C(N)O2 1864013202 SIQZXXHKYIOLJG-AREMUKBSSA-N 542.611 4.488 10 10 KICE COCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1864016482 QADICIKHCRUUAX-HSZRJFAPSA-N 547.011 4.120 10 10 KICE Cc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1C)=C(N)O2 1865026596 QAVZSJPPMZCFIQ-WNSKOXEYSA-N 509.006 4.400 10 10 KICE NC1=C(C(=O)N2CCCC2)[C@@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3ccccc3Cl)c2O1 1865031210 BQESPQOTDGLZTJ-KRWDZBQOSA-N 520.895 4.273 10 10 KICE COC(=O)c1c(NC(=O)[C@@H](CCS(C)(=O)=O)N2C(=O)c3ccccc3C2=O)sc(C)c1-c1ccc(Br)cc1 1865988880 QCXKUHOUTYRIFE-LJQANCHMSA-N 619.515 4.311 10 10 KICE CC(=O)Oc1ccc(C[C@@H](NC(=O)c2cc(C3CC3)on2)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 1867153012 JVEFTKIXVSTOLW-RUZDIDTESA-N 563.566 4.233 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccccn3)c3ccccc3)CC2)cc1 1868668034 POGJEVFBGKHEQR-ROJLCIKYSA-N 548.687 4.493 10 10 KICE CCC[C@H](NC(=O)CCC(=O)N1CCC[C@H]1c1nc2ccccc2s1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868894234 KAICUHIZHWBWND-UIOOFZCWSA-N 577.751 4.382 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCC(c5nc(C)n(C)n5)CC4)nc(-c4ccc(F)cc4)n3)CC2)cc1 1869279534 KEIDDXISLDGOLX-UHFFFAOYSA-N 542.663 4.439 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCCCN3CCOCC3)C(=O)N([C@@H]3CCCC[C@H]3C)C2=O)cc1 1873169345 KONIUMCQXQIRBU-QFQXNSOFSA-N 504.675 4.065 10 10 KICE Cc1sc2nc1CC(=O)N1CC[C@@H](CC(=O)N3CCCC3)[C@@H](CC(=O)NCC[C@H]3CN(Cc4ccccc4O)CC[C@H]3CC(=O)N3CCC2CC3)C1 2080408245 GEJDWZSRLQBZCC-QUUJSONZSA-N 732.992 4.321 10 10 KICE CCOc1cccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N(CCS(=O)(=O)O)C2=O)c1 2296056478 TYUBAKWMSRXSDY-UHFFFAOYSA-N 515.638 4.027 10 10 KICE CC(C)c1ccc(N2C(=O)NC(=O)C(=Cc3cc(I)c(OCC(=O)O)c(I)c3)C2=O)cc1 2297301746 HLBRPXDMNPCAOJ-UHFFFAOYSA-N 660.202 4.149 10 10 KICE COc1ccc(N2C(=O)C(=Cc3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C(=O)NC2=S)c(OC)c1 2313543758 HMZIDOZTTABQLE-UHFFFAOYSA-N 513.915 4.357 10 10 KICE COc1cc(-c2nc3ccccc3c(=O)n2NCc2cc(Br)ccc2O)cc(OC)c1OC 27532138 SUKUKVSJHMQRQM-UHFFFAOYSA-N 512.360 4.301 10 10 KICE C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3/SC(=S)N(CCC(=O)O)C3=O)c2)C[C@@H](C)O1 1554268766 GCYCZONNJIYWEQ-KTMBLSSYSA-N 612.755 4.013 10 10 KICE Cc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOc1ccccc1)=C(N)O2 1864012252 VVXYYDVKRNJXOU-RUZDIDTESA-N 547.011 4.194 10 10 KICE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCC1=CCCCC1)[C@H]2c1ccc(O)c(O)c1 1864023207 VRAOTWHCCXIQED-SFHVURJKSA-N 506.525 4.424 10 10 KICE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C)C1)=C(N)O2 1865029278 JQYMTOTYOSJBQE-OSPHWJPCSA-N 518.614 4.198 10 10 KICE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)N(C)Cc1ccccc1)[C@@H]2c1ccc(O)c(O)c1 1865033681 FZQQYUSGMIDPIR-XMMPIXPASA-N 526.593 4.343 10 10 KICE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1sccc1C 1865339029 HKFFCOXSLXCDGM-SFHVURJKSA-N 547.603 4.344 10 10 KICE C[C@H](NC(=O)Cc1csc(COc2ccccc2)n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866585080 YKONDABWEPLOPI-KRWDZBQOSA-N 525.586 4.183 10 10 KICE C[C@H](NC(=O)[C@H](Cc1ccccn1)c1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866680818 ALGRFDZWMZCUAN-UQBPGWFLSA-N 503.558 4.327 10 10 KICE O=C(N[C@@H](Cc1ccc(F)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(-c2cccnc2)[nH]n1 1867156347 ICUPZGAMWWWBIP-SANMLTNESA-N 559.557 4.366 10 10 KICE CC(=O)Oc1ccc(C[C@H](NC(=O)c2ccc3c(c2)C(=O)N(C(C)C)C3=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867434862 MNQHKKOZZGJZMK-SZAHLOSFSA-N 667.807 4.367 10 10 KICE CC[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867767105 DNSJDMOYZJLQCV-LADGPHEKSA-N 516.042 4.166 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](CSCc3ccccc3)NC(=O)CCc3ncc4ccccn34)CC2)cc1 1868802632 VJTXREQCXDFDGX-NDEPHWFRSA-N 557.720 4.043 10 10 KICE COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2Cc3cc(OC)c(OC)cc3C(C)(C)C2)n1 1869120789 ZKXCRSVGGWUANH-UHFFFAOYSA-N 547.700 4.316 10 10 KICE CCOc1cc(C=C2C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)ccc1OCc1ccc(C(=O)O)o1 2294353293 YOVBEYVORJHANU-UHFFFAOYSA-N 504.495 4.239 10 10 KICE Cc1cccn2c(=O)c(C=C3SC(=S)N(C[C@@H]4CCCO4)C3=O)c(NCCc3ccccc3)nc12 2296697770 JSUMVAKBGNABHF-IBGZPJMESA-N 506.653 4.038 10 10 KICE COc1ccc(N2CCN(c3nc4ccc(C)cn4c(=O)c3C=C3SC(=S)N(CC(C)C)C3=O)CC2)cc1 2296791909 HUJSSVLNPMLMNM-UHFFFAOYSA-N 549.722 4.195 10 10 KICE CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OCc4ccccc4C)c(Cl)c3)C(=N)N21 2297345736 XBEKSZMWACTJBE-UHFFFAOYSA-N 503.005 4.239 10 10 KICE COc1ccc(N2CCN(Cc3cccn3-c3nnc(N4CCN(C5CCCCC5)CC4)s3)CC2)cc1 8597373 GEVOEZVNBZNZOA-UHFFFAOYSA-N 521.735 4.114 10 10 KICE CCOCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2N2C[C@@H](C)C[C@@H](C)C2)SC1=S 39989796 TWIKYFCVCIXMOH-POKCEJIYSA-N 502.706 4.158 10 10 KICE CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)ccc1OCCOc1ccccc1OC 100229035 IKPZLUBFSHKLDN-OQKWZONESA-N 532.549 4.227 10 10 KICE O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)C(Br)(Br)Br)ccc21 100488058 SJQIFKNAORHMCR-UHFFFAOYSA-N 522.996 4.032 10 10 KICE Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 1084137983 SBCHIGRMHHKNNW-UDWIEESQSA-N 509.316 4.431 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 1084402131 OZTWVXHGXZBYNC-MHZLTWQESA-N 572.643 4.341 10 10 KICE CC(C)(C)OC(=O)CCCCCCCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-] 1857791762 IHMIRMWIHCIMTP-UHFFFAOYSA-N 722.918 4.025 10 10 KICE NC1=C(C(=O)NCc2ccccc2)[C@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3ccccc3)c2O1 1864015131 JYTNLYQJGXCIKO-HXUWFJFHSA-N 522.483 4.313 10 10 KICE CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cn(C)c3ccccc13)=C(N)O2 1864020931 IOQIPSFQHNXTCX-VWLOTQADSA-N 529.641 4.058 10 10 KICE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1CCO)=C(N)O2 1865031082 YNGYINQNNYILDY-ATIYNZHBSA-N 546.668 4.062 10 10 KICE CCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C)CC1)=C(N)O2 1865032812 LNFODZGOMGCIJN-DEOSSOPVSA-N 502.615 4.167 10 10 KICE C[C@@H](O)Cn1cc(OCC(=O)Nc2nccs2)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870937831 UOLXUJRZWZEXGQ-GOSISDBHSA-N 505.600 4.059 10 10 KICE COc1ccc(C)cc1-n1c(C)cc(C=C2C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)c1C 2297467912 KCQHHNNDKVBHGP-UHFFFAOYSA-N 518.643 4.433 10 10 KICE Cc1cc(N2C(=O)NC(=O)C(=Cc3c(C)nn(-c4ccc([N+](=O)[O-])cc4)c3C)C2=O)ccc1Br 2313547953 HGQXEOJWZSCOKG-UHFFFAOYSA-N 524.331 4.135 10 10 KICE C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)CCN2C(=O)C(=Cc3ccccc3)SC2=S)[C@@H]2CCS(=O)(=O)C2)o1 2314828803 LAIABXAHIRYFJZ-QFUCXCTJSA-N 544.720 4.210 10 10 KICE COc1ccc(N2CCN(S(=O)(=O)c3ccc(F)c(C(=O)Nc4ccccc4Cl)c3)CC2)cc1 8583145 VRTXGFVSGCRTPO-UHFFFAOYSA-N 503.983 4.251 10 10 KICE COc1cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OCCOCCOc1ccccc1 102465234 JQUIVAXKSSEIBF-XNUZKYAUSA-N 508.600 4.445 10 10 KICE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCCCOc4ccc(C)cc4C)cc3)C(=N)N21 104561175 UORICLQUJQGAOQ-UQIALHJZSA-N 526.640 4.163 10 10 KICE COc1ccc(CCN2C(=O)/C(=C/c3c(C)c(C#N)c(=O)n(C)c3N3CCN(c4ccccc4)CC3)SC2=S)cc1 110520161 CXUZNOJGYQUBJJ-DIBXZPPDSA-N 585.755 4.345 10 10 KICE COc1ccc(/C=C2/SC(=S)N(CCCC(=O)N(Cc3sccc3C)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 207325800 SORVLHCTOFBHOD-KNGGAZFVSA-N 564.776 4.262 10 10 KICE CN(C)c1ccc([C@@H](NC(=O)CN2C(=O)c3c(I)c(I)c(I)c(I)c3C2=O)c2nccn2C)cc1 1865895484 VFKSEKLKTCEMDQ-HXUWFJFHSA-N 921.053 4.406 10 10 KICE COCCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCC[C@H]2C(=O)NCc2ccccc2)n1 1868254504 RDFXGQOOGMCUSF-SANMLTNESA-N 561.642 4.470 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccn3)c3ccccc3)CC2)cc1 1868668033 POGJEVFBGKHEQR-AJQTZOPKSA-N 548.687 4.493 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)C[C@@H](c3ccccc3)c3nnc(C)o3)CC2)cc1 1868890938 NIIZVRZTOHZMTC-VMPREFPWSA-N 571.653 4.124 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3c(C)cc(C)n(-c4ccccc4)c3=O)c3ccccc3)CC2)cc1 1869011892 ZIDPXNLDOCCJBV-PMERELPUSA-N 550.659 4.283 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3nc(C(F)(F)F)n4ccccc34)c3ccccc3)CC2)cc1 1869069606 VQWFMAYELHTLRY-QHCPKHFHSA-N 537.542 4.182 10 10 KICE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N(CCS(=O)(=O)O)C2=O)cc1 2296710650 LBGGIESGOLRAPE-UHFFFAOYSA-N 529.665 4.417 10 10 KICE CCc1cc(C)cc(OCCOc2ccc(C=C3C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)CC)cc2)c1 2297345407 TZCAGWPPMNHORT-UHFFFAOYSA-N 526.640 4.027 10 10 KICE CCC(=CC(=O)N[C@@H](CCSC)C(=O)N1CCN(c2ccc(OC)cc2)CC1)c1ccc(OC)cc1 2329515078 KGYMPPCNUZENSB-SANMLTNESA-N 511.688 4.084 10 10 KICE N=C1/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N=C2SN=C(S(=O)(=O)Cc3ccccc3)N12 104563695 KZBUXFBWCSIUTR-ODJOWLHGSA-N 521.536 4.046 10 10 KICE O=C(O)CCCCCN1C(=O)/C(=C/c2c(N3CCN(c4ccc(F)cc4)CC3)nc3ccccn3c2=O)SC1=S 109950959 PMXPFKKLZJHCJS-PYCFMQQDSA-N 581.695 4.006 10 10 KICE COc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(C)=O)[C@@H](C(=O)c2ccc(OC)c(OC)c2)[C@@]12C(=O)Nc1ccccc12 504391075 ZOBFHNYEIRCFPU-JGLCYXNFSA-N 524.573 4.275 10 10 KICE biogenic CCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(F)c2)[C@@H]1c1ccc(O)c(O)c1 1864016325 MKILBUXZDRKCLB-QHCPKHFHSA-N 514.557 4.370 10 10 KICE COc1ccc(-c2nn(CC(C)C)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)NCc2ccccn2)=C(N)O3)cc1 1864017809 VTICMRGQRWHCPW-XMMPIXPASA-N 541.608 4.032 10 10 KICE COc1ccccc1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867913949 XDESYDMYXJODIY-VMPREFPWSA-N 544.696 4.151 10 10 KICE CCCC[C@@H](NC(=O)CCN(Cc1cccnc1)C(=O)OC(C)(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868927630 NWLLGLSUIZVNML-HHHXNRCGSA-N 567.731 4.241 10 10 KICE COCCN1[C@H](C)CN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(-c3cccc(OC)c3)n2)C[C@H]1C 1869312577 UHVSJCAAFPYXQC-DNQXCXABSA-N 546.716 4.033 10 10 KICE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4c(C)noc4C)cn3CCCOC(C)C)CC2)cc1 1870565362 GFLOREQHGTUQLS-UHFFFAOYSA-N 524.662 4.178 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccc4c(c3)OCO4)C(=O)N(CCCCN(C)C)C2=O)cc1 1873167878 BHZUVIBIDLVWBP-UHFFFAOYSA-N 514.626 4.034 10 10 KICE CCOCCCN1C(=O)C(Nc2ccc(CC(=O)OC)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422602 FPJULHBNWSHITB-UHFFFAOYSA-N 515.610 4.428 10 10 KICE CCOC(=O)COc1c(Cl)cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1Cl 2294095470 SATUDUAOLKHNDF-UHFFFAOYSA-N 542.169 4.364 10 10 KICE COc1cc(C=C2C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1OCCOc1ccc(NC(C)=O)cc1 2297347322 HMAGAMRBRWILJE-UHFFFAOYSA-N 547.515 4.293 10 10 KICE O=C1C(=Cc2c(N3CCN(c4ccc(F)cc4)CC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccc2c(c1)OCO2 2314408607 PKJLJQPOCDTWDI-UHFFFAOYSA-N 601.685 4.290 10 10 KICE CCOc1cc(C=C2SC(=S)N(CCCCCC(=O)NCCCCCC(=O)O)C2=O)ccc1O 2314831586 NWMASRYEKXFTHF-UHFFFAOYSA-N 508.662 4.314 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](CSCc3ccccc3)NC(=O)C=Cc3ccco3)CC2)cc1 2331418081 DZVTYRUXLPOKAQ-AREMUKBSSA-N 505.640 4.068 10 10 KICE Nc1ccc(S(=O)(=O)c2ccc(/N=[N+](\[O-])c3ccc(S(=O)(=O)c4ccc(N)cc4)cc3)cc2)cc1 5741618 SMEWQWPADHSEIL-DQSJHHFOSA-N 508.581 4.442 10 10 KICE Cc1c(N2C(=O)/C(=C\c3c(N4CCCC[C@@H]4C)nc4ccccn4c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C 100885965 SMFQFFRQAYNMQR-VJWQYWRGSA-N 572.716 4.277 10 10 KICE COc1ccc(N2CCN(C(=O)C3CCN(S(=O)(=O)c4c(C)noc4/C=C/c4ccc(C)cc4)CC3)CC2)cc1 102612912 VOMXFTWUDFUJIG-MDWZMJQESA-N 564.708 4.220 10 10 KICE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cc(I)cc(I)c1O 150383369 IBQCEAIYWBWGMO-SDQBBNPISA-N 638.981 4.030 10 10 KICE COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C(=O)NC2=S)c(OC)c1 1084503999 WMBDIOUSERVDKE-YBEGLDIGSA-N 513.915 4.357 10 10 KICE CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H]1CCCC[C@@H]1C)=C(N)O2 1864013555 CGDRERNKZRNYBA-XAEMIUIASA-N 503.603 4.021 10 10 KICE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C(F)(F)F)nn4C)[C@@H]3c3ccc(Cl)cc3)CC2)cc1 1865087602 LBQWGCUBRFSAGC-IBGZPJMESA-N 547.965 4.144 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)Cc3nc(-c4ccc(Cl)cc4)oc3C)C(C)C)CC2)cc1 1868651825 UHFUKTPGHUHXQL-SANMLTNESA-N 525.049 4.344 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)[C@@H](c3ccc(F)cc3)C(C)C)CC2)cc1 1868844973 QTCDDWBIXTZDBI-LOSJGSFVSA-N 501.668 4.161 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3n[nH]c(C)c3-c3ccccc3)c3ccccc3)CC2)cc1 1869063637 GFGLQNRCCKHZQN-MHZLTWQESA-N 509.610 4.214 10 10 KICE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc(C(=O)O)cc1 2294134117 UITOUUIWBNVTFF-UHFFFAOYSA-N 506.898 4.292 10 10 KICE COc1ccc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1COc1ccc(NC(C)=O)cc1 2296135918 IUNSBADLPSNJHA-UHFFFAOYSA-N 519.554 4.203 10 10 KICE CCOC(=O)C1CCN(c2nc3c(C)cccn3c(=O)c2C=C2SC(=S)N(Cc3ccc(F)cc3)C2=O)CC1 2296938413 KVQAKFCOABQVNB-UHFFFAOYSA-N 566.680 4.323 10 10 KICE CCCN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3cccc(Br)c3)c3ccccc32)SC1=S 2533361 OQPZPDXCBJVNHW-VHEBQXMUSA-N 516.442 4.416 10 10 KICE COc1ccc(N2CCN(C(=O)C3CCN(S(=O)(=O)c4c(C)noc4/C=C/c4ccccc4F)CC3)CC2)cc1 102613406 ADMDTGFCNHAVPL-KPKJPENVSA-N 568.671 4.051 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](CSCc3ccccc3)NC(=O)Cc3ccccc3)CC2)cc1 1861961153 HRPDSGMIYNRVQE-HHHXNRCGSA-N 503.668 4.005 10 10 KICE CCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(F)cc1)=C(N)O2 1864019208 WEVLTHZDUJHMEI-DEOSSOPVSA-N 532.547 4.194 10 10 KICE CCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(C)cc1)=C(N)O2 1864019993 TWSIARFVLBFFLX-SANMLTNESA-N 524.621 4.267 10 10 KICE COc1ccc(-c2nn(C)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)NCCC2=CCCCC2)=C(N)O3)cc1 1864023340 YGMNWBPMUHOJAM-QHCPKHFHSA-N 516.598 4.208 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCC5(CC4)OCCO5)nc(-c4ccc(Cl)cc4)n3)CC2)cc1 1867981309 JJZBALOFSWETRB-UHFFFAOYSA-N 522.049 4.476 10 10 KICE Cc1cc(C(=O)NCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)nn1-c1ccc(Br)cc1 1868139562 JTGRQHFHLOTNKR-UHFFFAOYSA-N 543.377 4.087 10 10 KICE CCc1ccc(-c2nc(CC(=O)N[C@H](C(=O)N3CCN(c4ccc(OC)cc4)CC3)C(C)C)c(C)o2)cc1 1868988644 WRIIQFVQWGBXJL-NDEPHWFRSA-N 518.658 4.253 10 10 KICE COc1ccc(NC(=O)COc2ccc(/C=C3/SC(=S)N(CC(C)C)C3=O)cc2)c([N+](=O)[O-])c1 1871287836 WNZPAFIGABJHDR-KEBDBYFISA-N 501.586 4.478 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccccc3Cl)C(=O)N(CCN3CCOCC3)C2=O)cc1 1873425695 KWVQALQFWZZDRW-UHFFFAOYSA-N 505.018 4.272 10 10 KICE CC[C@@H](C)N1C(=O)C(=Cc2c(N3CCN(c4ccccc4F)CC3)nc3ccccn3c2=O)SC1=S 2296208211 WVCLWBKXJFQYKH-QGZVFWFLSA-N 523.659 4.160 10 10 KICE CC[C@H](C)N1C(=O)C(=Cc2c(N3CCN(c4ccccc4)CC3)nc3ccccn3c2=O)SC1=S 2296307056 IUHITAKGNVFRGX-SFHVURJKSA-N 505.669 4.021 10 10 KICE CNc1c(I)cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1I 2313559696 NCHSVSHGJOPLFJ-UHFFFAOYSA-N 652.024 4.366 10 10 KICE Cc1c(N2C(=O)C(=Cc3c(NCCCOC(C)C)nc4ccccn4c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C 2314478786 VTSOSRHPDZXQTN-UHFFFAOYSA-N 590.731 4.125 10 10 KICE O=C1C(=Cc2c(Oc3ccc(Cl)cc3Cl)nc3ccccn3c2=O)SC(=S)N1[C@H]1CCS(=O)(=O)C1 2314509910 ZUSJBAODKJRJDD-ZDUSSCGKSA-N 568.485 4.182 10 10 KICE COc1ccc(C(=O)Nc2nc3c(s2)CCC[C@H]3C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 8979453 XQZJUZYQOQZSDJ-JOCHJYFZSA-N 506.628 4.181 10 10 KICE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC)=C(N)O2 1864010184 JOJMNNLQWKDXFR-FQEVSTJZSA-N 533.412 4.000 10 10 KICE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC)=C(N)O2 1864012587 DMWWULBBWHSBNH-OAQYLSRUSA-N 547.439 4.059 10 10 KICE CC[C@](C)(NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccn1)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867477218 OPGSZDBCFWXKNV-BIMVPBQRSA-N 610.759 4.186 10 10 KICE CCc1cccc(CC)c1N1C(=O)c2ccc(C(=O)N[C@H](CO)C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O 1867593486 SYWRKKRNFPFANV-ZWXJPIIXSA-N 639.797 4.112 10 10 KICE COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCO[C@H](c3ccc(Br)cc3)C2)n1 1869113937 QKGXVGZXLNWFQC-VWLOTQADSA-N 568.516 4.341 10 10 KICE COc1ccc(N2CCN(S(=O)(=O)c3ccc(OCC(=O)Nc4cccc(Cl)c4C)cc3)CC2)cc1 1872716461 BZQDSKKVNXRPLM-UHFFFAOYSA-N 530.046 4.185 10 10 KICE CCCCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccc(S(N)(=O)=O)cc2)C1=O 1873168337 RUITZOCIRIPOCM-UHFFFAOYSA-N 534.682 4.192 10 10 KICE Cc1sc(NS(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)nc1-c1ccc(-c2ccccc2)cc1 1892225852 DXOVDZNHBRNCBY-UHFFFAOYSA-N 518.620 4.137 10 10 KICE COCCN1C(=O)C(=Cc2c(N3CCC(Cc4ccccc4)CC3)nc3ccc(C)cn3c2=O)SC1=S 2296705142 WBEVSUHRTHLCJA-UHFFFAOYSA-N 534.707 4.310 10 10 KICE CCOc1cc(/C=C2/C(=N)N3C(SC)=NSC3=NC2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 20205468 SZUFKCULCJXEBC-GJXXPDGXSA-N 516.626 4.101 10 10 KICE CCOc1ccc(OCC(=O)N2CCC(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)CC2)cc1 1860593203 XMSWUKOQZNPSBI-UHFFFAOYSA-N 512.562 4.117 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](CSCc3ccccc3)NC(=O)CCc3ccccc3)CC2)cc1 1862289271 SPARCOMMRJXPSV-NDEPHWFRSA-N 517.695 4.395 10 10 KICE COc1ccc(CCNC(=O)C2=C(N)Oc3c(c(C)nn3-c3ccc(Cl)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1 1864007575 PTUMYUYHMMVPDL-VWLOTQADSA-N 547.011 4.307 10 10 KICE COc1ccccc1CNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2Cl)[C@@H]1c1ccc(O)c(O)c1 1864009056 YMJSYPLALBJUHH-DEOSSOPVSA-N 532.984 4.265 10 10 KICE CCCn1nc(C)c2c1OC(N)=C(C(=O)NCc1ccc(OC(C)(C)C)cc1)[C@H]2c1ccc(O)c(O)c1 1864011145 ZYQUKYULOSAFPH-QHCPKHFHSA-N 506.603 4.201 10 10 KICE CCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(F)cc1)=C(N)O2 1864019371 JPDQBTXYNLDHKR-XMMPIXPASA-N 514.557 4.055 10 10 KICE CCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C)C1)=C(N)O2 1865032708 IVFGUYCTCHCDCA-IVZQSRNASA-N 509.006 4.452 10 10 KICE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)N1C[C@H](C)C[C@@H](C)C1)[C@@H]2c1ccc(O)c(O)c1 1865033781 HYAYXFYBVIJORJ-SEPYTNNBSA-N 518.614 4.189 10 10 KICE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N(C)Cc1ccccc1)[C@H]2c1ccc(O)c(O)c1 1865034255 SCHVTEZVBICFEQ-SFHVURJKSA-N 502.493 4.076 10 10 KICE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1ccc(C)cc1 1865190134 BQXLQJXGCLNLIG-NRFANRHFSA-N 541.574 4.282 10 10 KICE CSCC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867822812 ZJJRYGDTAHXSIV-RSXGOPAZSA-N 586.715 4.072 10 10 KICE CCCC[C@H](NC(=O)c1ccc(N(C)C)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867890704 OBCGHMPFCYOCLJ-WUFINQPMSA-N 507.723 4.451 10 10 KICE Cc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCN(c3ccc4oc(O)nc4c3)CC2)n1 1868480626 DJHQWJNALZKSEL-UHFFFAOYSA-N 532.560 4.477 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)c4cccnc4Cl)n(-c4ccc(C)cc4)n3)CC2)cc1 1869969680 IRPACUQYLSLXNS-UHFFFAOYSA-N 503.994 4.212 10 10 KICE CCCCCn1cc(OCC(=O)Nc2ccccc2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870759951 WQGGWMHWMGSVQZ-UHFFFAOYSA-N 518.658 4.387 10 10 KICE COC(=O)c1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCCN(C)C)C2=O)cc1 1873424698 JVFMALFSWZGLPM-UHFFFAOYSA-N 514.626 4.415 10 10 KICE COc1ccc(-c2cc3n(n2)C[C@@](C)(C(=O)NCc2ccccc2)N(Cc2ccc(N(C)C)cc2)C3=O)cc1 21855234 FUYKRWHJGSRTAD-HKBQPEDESA-N 523.637 4.356 10 10 KICE CC[C@@H](C)N1C(=O)/C(=C\c2c(N3CCN(c4ccccc4)CC3)nc3c(C)cccn3c2=O)SC1=S 34262911 NBLWOEUOWJWYJI-ACXJOVJBSA-N 519.696 4.329 10 10 KICE CCn1c(N2CCC[C@@H](C)C2)c(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)c(C)c(C#N)c1=O 39989716 MVYVMUHTJVMFOJ-FPXKJXHESA-N 516.689 4.131 10 10 KICE Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C2\SC(=S)N([C@@H](CCC(=O)O)C(=O)O)C2=O)cc1 101965234 KVGUAZWICXAOKW-BEWREHSGSA-N 549.026 4.185 10 10 KICE CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc1I 1083948571 PWQMRZNSZZVVKT-ZSOIEALJSA-N 541.139 4.119 10 10 KICE CCOC(=O)c1c(NC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)sc(C)c1-c1ccc(F)cc1 1860758392 FZMYKFVFPCGLDB-UHFFFAOYSA-N 514.575 4.354 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)c3ccccc3OCC(C)C)CC2)cc1 1862055891 PGCMXPCXSOTLHY-MUUNZHRXSA-N 515.654 4.420 10 10 KICE CCCC[C@H](NC(=O)COc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862202599 OZSGBEGCNJWJTB-QFIPXVFZSA-N 508.446 4.405 10 10 KICE Cc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCc1ccccc1)=C(N)O2 1864012115 ROOLJLJIIXEFDS-SANMLTNESA-N 528.584 4.234 10 10 KICE CCCCOC(=O)c1ccc(CNC(=O)C2=C(N)Oc3c(c(CCC)nn3CC)[C@H]2c2ccc(O)c(O)c2)cc1 1864014551 XYYFVESEMAHTHD-XMMPIXPASA-N 548.640 4.235 10 10 KICE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCc1ccc(F)cc1)[C@H]2c1ccc(O)c(O)c1 1864015689 CXJHCBNRJCKZBP-QHCPKHFHSA-N 514.557 4.174 10 10 KICE CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccccc1)=C(N)O2 1864017029 CSFQTSUUQLQIAM-VWLOTQADSA-N 510.594 4.208 10 10 KICE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccco1)=C(N)O2 1864018022 ASWHIZYCBWBBJE-JOCHJYFZSA-N 520.973 4.162 10 10 KICE CCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)C13CC4CC(CC(C4)C1)C3)=C(N)O2 1864021278 OOSOHYXUALGXFJ-GGVJIIAMSA-N 506.647 4.292 10 10 KICE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](C)C1)=C(N)O2 1865029279 JQYMTOTYOSJBQE-XDHUDOTRSA-N 518.614 4.198 10 10 KICE C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867738877 KJBUOEFQBRTDDK-DWACAAAGSA-N 604.217 4.042 10 10 KICE CC[C@H](NC(=O)c1ccccc1I)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867858872 XEWGYSPTFKAXDK-ZEQRLZLVSA-N 562.496 4.209 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)c4ccc(Cl)nc4)n(-c4ccc(C)cc4)n3)CC2)cc1 1869970885 ZWITVTLDMUAAAY-UHFFFAOYSA-N 503.994 4.212 10 10 KICE CCN(CC)CCn1cc(OCc2ccccc2F)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870344761 NYUXPDFLPBVCAQ-UHFFFAOYSA-N 522.665 4.239 10 10 KICE COc1ccc(CN2C(=O)C(=Cc3c(N4C[C@@H](C)O[C@H](C)C4)nc4c(C)cccn4c3=O)SC2=S)cc1 2295979414 HYCJNHNIBLDQHY-QZTJIDSGSA-N 536.679 4.027 10 10 KICE CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@H]1c1cccs1 58825568 BNXTZRMGIOZPQP-XPCGLTFESA-N 521.639 4.406 10 10 KICE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(CN4CCN(C)CC4)cc3)[C@H]2c2ccc(O)c(O)c2)cc1 526602504 RTTYHBIBHWKFPP-NDEPHWFRSA-N 515.610 4.301 10 10 KICE CCOC(=O)c1cccc(NC(=O)CN2CCOCCOc3ccc(N4CCOCC4)cc3Cc3cccc(c3)C2)c1 643588180 DDZYRPXBLOBKGY-UHFFFAOYSA-N 573.690 4.140 10 10 KICE CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(OC)cc1)=C(N)O2 1864011203 RRCLSBGEGJYVTB-SANMLTNESA-N 540.620 4.298 10 10 KICE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCCc1ccccc1)[C@@H]2c1ccc(O)c(O)c1 1864021524 CFPPCVMWOVXPSO-HXUWFJFHSA-N 530.547 4.413 10 10 KICE CCc1nn(CC(C)C)c2c1[C@@H](c1cccc(F)c1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865552218 AOELBLNVARSSPU-RUZDIDTESA-N 533.648 4.293 10 10 KICE CC[C@@H](CC(=O)N[C@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(Br)ccc1OC 1867138568 RRAQNEKWCKMDBH-QMHKHESXSA-N 579.447 4.233 10 10 KICE CC[C@@H](NC(=O)c1cc(OC)c(OC)c(OC)c1Br)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867465219 WRWIKXXQFQNKMP-DHIUTWEWSA-N 605.574 4.393 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCN(C)[C@@H](c5ccccc5)C4)nc(-c4cccnc4)n3)CC2)cc1 1869372633 UYLUTIUDZHJEPM-MUUNZHRXSA-N 521.669 4.367 10 10 KICE COc1ccc(CCN2C(=O)C(=Cc3c(N4C[C@@H](C)O[C@H](C)C4)nc4ccc(C)cn4c3=O)SC2=S)cc1 2314400151 IYVYXKQPJRKCPF-RTBURBONSA-N 550.706 4.069 10 10 KICE C[C@@H]1C[C@H]1c1ccc(CN(C(=O)CCN2C(=O)C(=Cc3ccc(F)cc3)SC2=S)[C@H]2CCS(=O)(=O)C2)o1 2314829197 RBINRFGENLDREK-LKUPVBHCSA-N 562.710 4.349 10 10 KICE CCOc1c(I)cc(I)cc1/C=C1\C(=O)NC(=O)N(c2ccccc2C)C1=O 103813799 GMVSPAGYDCGYPN-NTEUORMPSA-N 602.166 4.269 10 10 KICE O=C(CCCN1C(=O)/C(=C\c2ccccc2OC(F)F)SC1=S)Nc1ccc(O)cc1C(=O)O 210498218 XKWFJBYNVALISP-LICLKQGHSA-N 508.524 4.312 10 10 KICE COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)c(C)cc3Br)C2=O)cc(I)c1O 1084465602 CQVWVVMEUFUTQZ-WUXMJOGZSA-N 571.165 4.051 10 10 KICE CCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(Br)cc2)[C@@H]1c1ccc(O)c(O)c1 1864008058 AVFWMSWIKLLMQG-NRFANRHFSA-N 527.419 4.355 10 10 KICE NC1=C(C(=O)NCc2ccccc2)[C@@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3ccccn3)c2O1 1864015485 AIQAIIRYGVEWGF-VWLOTQADSA-N 531.572 4.357 10 10 KICE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCc1ccccc1F)[C@H]2c1ccc(O)c(O)c1 1864015745 DVFBBTJZNHHQNV-QFIPXVFZSA-N 500.530 4.131 10 10 KICE CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)c1ccc(OC)cc1)=C(N)O2 1864017171 HDUWMFOFMPOHFE-SSOJOUAXSA-N 526.593 4.427 10 10 KICE CCc1nn(CC(C)C)c2c1[C@@H](c1ccccc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865027630 OSFUMTIYBPNAFE-RUZDIDTESA-N 515.658 4.154 10 10 KICE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4-c4ccc(Cl)cc4)[C@H]3c3ccc[nH]3)CC2)cc1 1865599330 XAAXKBVLDDAEHF-RUZDIDTESA-N 545.043 4.214 10 10 KICE CC[C@](C)(NC(=O)[C@@H]1CCCN1Cc1ccccc1F)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866920703 UGZMCPPZLQAITE-FKAPRUDGSA-N 527.596 4.489 10 10 KICE CCCC[C@@H](NC(=O)Cc1nc(-c2ccc(F)cc2)oc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868645737 YBLCTGRTLQAVTF-RUZDIDTESA-N 522.621 4.364 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)c3cc(-c4ccccc4)on3)CC2)cc1 1868752608 CGQVEJOBKBEYNE-HHHXNRCGSA-N 510.594 4.040 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)c4cc5ccccc5n4C)n(-c4ccccc4)n3)CC2)cc1 1869970501 LUNIUQWISNWLCE-UHFFFAOYSA-N 507.598 4.347 10 10 KICE COCCn1cc(OCc2c(C)cc(C)cc2C)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870378782 NCGXHQBTKKKSMK-UHFFFAOYSA-N 505.659 4.330 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3cnc[nH]3)C(=O)N(CCc3c[nH]c4ccccc34)C2=O)cc1 1873169117 ZWWBODPUNWFUTI-UHFFFAOYSA-N 518.621 4.453 10 10 KICE CCCCN(C)c1ncnc2c1cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2Cc1ccco1 1873564390 SVILEQMHQRIWKD-UHFFFAOYSA-N 502.619 4.280 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)Cc3cc(C)ccc3C)CC2)cc1 1874642719 LNONGCJTPAMIPR-PMERELPUSA-N 524.665 4.412 10 10 KICE COc1cccc2cc(-c3nn(-c4ccccc4)cc3/C=C3\SC(=S)N(CCS(=O)(=O)O)C3=O)oc12 100953289 KEWFPODZYHVKEG-MOSHPQCFSA-N 541.632 4.383 10 10 KICE Nc1ccc(N(C(=S)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c2ccccc2)cc1 242595304 CIYKZQDCCMDJRL-UHFFFAOYSA-N 503.049 4.478 10 10 KICE Cc1nn(-c2cc(Cl)c(S(=O)(=O)O)cc2Cl)c(O)c1N=Nc1ccc(S(=O)(=O)O)cc1 263614742 SWTAMHBAAIVEKW-UHFFFAOYSA-N 507.333 4.102 10 10 KICE in-vitro C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)CCN2C(=O)/C(=C\c3ccccc3)SC2=S)[C@H]2CCS(=O)(=O)C2)o1 1615296200 LAIABXAHIRYFJZ-SWQDURGFSA-N 544.720 4.210 10 10 KICE CCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(Cc1ccccc1)Cc1ccccc1)=C(N)O2 1865033448 ZZOSPUMJXZKIFG-RUZDIDTESA-N 510.594 4.317 10 10 KICE CCCC[C@H](NC(=O)c1cccc(N2CCCCS2(=O)=O)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866627171 SUIFGZKISZYNJG-SANMLTNESA-N 573.671 4.319 10 10 KICE C[C@H](NC(=O)[C@@H](C)c1ccc(Br)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866933390 GQISEFPLZWFMGL-GJZGRUSLSA-N 505.368 4.471 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)Cc3nc(-c4cccc(Cl)c4)oc3C)CC2)cc1 1868649722 BFMQZGZJYXNYLJ-DEOSSOPVSA-N 557.116 4.441 10 10 KICE CC(=O)NCCN1C(=O)C(Nc2ccc(NC(=O)C(C)C)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422304 PZLSHFPQBPYAHN-UHFFFAOYSA-N 527.625 4.017 10 10 KICE CCNC(=O)c1nn(Cc2cc(C(F)(F)F)ccc2O)c(C(F)(F)F)c1I 2079214531 IKVLJHXZLOKZKO-UHFFFAOYSA-N 507.172 4.029 10 10 KICE Cc1cccn2c(=O)c(C=C3SC(=S)N(CCCCCC(=O)O)C3=O)c(N(C)Cc3ccccc3)nc12 2296707898 WXEODRUKHVYGHO-UHFFFAOYSA-N 536.679 4.486 10 10 KICE O=C(CN1C(=O)C(=C2SC(=S)N(Cc3ccc(F)cc3)C2=O)c2ccccc21)NCCc1ccccc1 2296713732 VNAMEFXPTNPYFM-UHFFFAOYSA-N 531.634 4.303 10 10 KICE CCN1C(=O)C(=Cc2c(N3CCN(c4cccc(Cl)c4)CC3)nc3ccc(C)cn3c2=O)SC1=S 2297312660 RSOHDMQGHFWAPX-UHFFFAOYSA-N 526.087 4.204 10 10 KICE Cc1ccc(C(C)C)c(Oc2nc3ccccn3c(=O)c2C=C2SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)c1 2314508680 PYRPJDIZHDXEBA-KRWDZBQOSA-N 555.703 4.307 10 10 KICE CC1CCN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)CC1 33467963 SAWGRXRXERSLQG-FYJGNVAPSA-N 520.636 4.061 10 10 KICE COc1ccc(CCN2C(=O)/C(=C\c3c(NC[C@H](O)c4ccccc4)nc4ccccn4c3=O)SC2=S)cc1OC 101012799 FPHFYRWHOVQOOF-ALAMRGAJSA-N 588.711 4.301 10 10 KICE Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1/C=C1\C(=O)NC(=O)N(c2ccc(Br)c(C)c2C)C1=O 103811957 YBPGHVWBYRAZJX-LICLKQGHSA-N 583.355 4.351 10 10 KICE CN(C)c1ccc(N=Nc2ccccc2C(=O)OCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)cc1 254492094 CCYOGBMCPRPJMC-UHFFFAOYSA-N 503.515 4.444 10 10 KICE CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)NC[C@@H]4CCCN5CCCC[C@H]45)c4ccccc34)[C@@H]21 1615156391 XHNZPTMSSIMBBX-RRIABGHYSA-N 511.670 4.169 10 10 KICE Cc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)c1ccc3c(c1)CCCC3)=C(N)O2 1864009485 IGJVYTYVDNVCFU-CRYYWNKWSA-N 537.620 4.438 10 10 KICE Cc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCC1=CCCCC1)=C(N)O2 1864010248 QIQBIHCIZXNOPA-RUZDIDTESA-N 518.589 4.491 10 10 KICE CCCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1)=C(N)O2 1864013725 ZHNCYAXZIYNYLD-VWLOTQADSA-N 510.594 4.306 10 10 KICE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C(=O)NCC(C)C)[C@H]3c2ccc(O)c(O)c2)cc1 1864014286 RDKYHZSCHQJADM-DEOSSOPVSA-N 526.593 4.426 10 10 KICE CCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(C)cc1)=C(N)O2 1864018580 OIWQURFFMRKJJV-AREMUKBSSA-N 542.611 4.406 10 10 KICE CCCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2-c2ccc(OC)cc2)[C@H]1c1ccc(O)c(O)c1 1864022963 SPCOMUYXEHTGSM-XMMPIXPASA-N 542.592 4.189 10 10 KICE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCC1)=C(N)O2 1865032466 CTBCEDORQFNHOV-DEOSSOPVSA-N 502.615 4.229 10 10 KICE CSCC[C@H](NC(=O)CCc1ccccc1F)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866597968 VSGBIEBKLWIIPG-QHCPKHFHSA-N 504.583 4.410 10 10 KICE CCOc1cn(CCc2ccc(S(N)(=O)=O)cc2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870786488 CFIVRLMSFMGAFS-UHFFFAOYSA-N 518.639 4.493 10 10 KICE Cc1cc(C)cc(OCCN2C(=O)C(NCCCN3CCOCC3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)c1 1873169226 GFTOLPKOVASCDS-UHFFFAOYSA-N 556.707 4.182 10 10 KICE COc1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)ccc1OCCCOc1ccccc1Cl 2296608287 NPSHRZSLZGVCTJ-UHFFFAOYSA-N 510.930 4.452 10 10 KICE CC[C@@H](Oc1ccc(C=C2SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1)C(=O)O 2314930482 DXZGAHUHGBEKGN-LJQANCHMSA-N 509.609 4.132 10 10 KICE C[C@H](c1ccccc1)N1C(=O)/C(=C/c2c(N3CCC4(CC3)OCCO4)nc3ccccn3c2=O)SC1=S 109560846 VDIMNIHUYUDAQH-QUWSGOTNSA-N 534.663 4.000 10 10 KICE O=C1/C(=C/c2c(NCCc3ccccc3)nc3ccccn3c2=O)SC(=S)N1Cc1ccc2c(c1)OCO2 109967849 BNPKOYGDCQFKFJ-HAHDFKILSA-N 542.642 4.479 10 10 KICE O=C(CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)NC[C@@H]1CCCN2CCCC[C@H]12 1615156322 WUVLKQNDVAPGRX-HFZDXXHNSA-N 509.654 4.345 10 10 KICE COCCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1864014419 USUNKVPPLITALQ-QHCPKHFHSA-N 547.011 4.451 10 10 KICE CCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCCCC1)=C(N)O2 1864018135 DCFUEQBHEKSGKE-QHCPKHFHSA-N 503.603 4.165 10 10 KICE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1ccccc1F)[C@H]2c1ccc(O)c(O)c1 1864021925 IAONPLROKHXGEQ-SFHVURJKSA-N 520.483 4.119 10 10 KICE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOCC1)=C(N)O2 1865029386 MDNCNAJIFGQQND-NRFANRHFSA-N 545.423 4.096 10 10 KICE CC[C@H](NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1Cl)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866625851 VHTBABICDDLXAN-QHCPKHFHSA-N 580.062 4.193 10 10 KICE COc1ccc(-c2nc(CC(=O)N[C@@H](C)C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c(C)o2)cc1 1866674426 XJNQZQLSVTWJHO-INIZCTEOSA-N 523.545 4.120 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCO[C@@H](c5cccnc5)C4)nc(-c4ccccc4)n3)CC2)cc1 1869204281 CYVUTNBNZDGWIR-HHHXNRCGSA-N 508.626 4.452 10 10 KICE O=C(COc1cn(CCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O)Nc1ccccc1F 1871195047 YWNIUBQVAYBELI-UHFFFAOYSA-N 502.546 4.353 10 10 KICE COC(=O)c1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCc3cnc[nH]3)C2=O)cc1 1873426162 QEPMOUHAWGXUCR-UHFFFAOYSA-N 509.566 4.039 10 10 KICE CCn1c(N2C[C@H](C)O[C@H](C)C2)c(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)c(C)c(C#N)c1=O 33475381 KKVJVXKLKNAPIW-ZYVKARGFSA-N 508.669 4.063 10 10 KICE O=C(O)CCNC(=O)c1ccc(/N=N/c2ccc(Oc3ccc(C(=O)NCCC(=O)O)cc3)c(C(=O)O)c2)cc1 77285334 BXJNXRKWSCKIFA-NVQSTNCTSA-N 548.508 4.002 10 10 KICE in-vitro Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1/C=C1\C(=O)NC(=O)N(c2cccc3ccccc23)C1=O 103811947 HEZBUGJKROVHMS-DEDYPNTBSA-N 526.465 4.125 10 10 KICE O=C(O)c1cc(C(=O)O)cc(-c2ccc(/C=C3\SC(=O)N(CC(=O)c4ccc([N+](=O)[O-])cc4)C3=O)o2)c1 104419502 FPEMJYBAMDKHOZ-JMIUGGIZSA-N 522.447 4.170 10 10 KICE C[C@@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3/SC(N4CCOCC4)=NC3=O)c2)C1 110559525 OFZHEBMJJQHJFI-MSPRMREJSA-N 577.732 4.262 10 10 KICE COc1ccc(CCC(=O)N2CCC(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)CC2)cc1OC 1860593445 CCJMROPQBANYIO-UHFFFAOYSA-N 526.589 4.289 10 10 KICE CCc1sc(NC(=O)C(=O)N[C@@H](C(=O)O)[C@@H](C)CC)c(C(=O)OC)c1-c1ccc(Br)cc1 1860763959 UGKJHWHXYMYYBE-APPDUMDISA-N 525.421 4.081 10 10 KICE O=C(O)CCN1C(=O)/C(=C2/C(=O)N(CCCOc3ccc(Cl)cc3)c3ccccc32)SC1=S 1860826132 AOKAMRROJXAAPK-VXPUYCOJSA-N 503.001 4.202 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)CCCOc3ccc(C)cc3)CC2)cc1 1862214580 LYPOEEGDEOXVOT-LJAQVGFWSA-N 515.654 4.239 10 10 KICE CCCOC(=O)c1ccc(CNC(=O)C2=C(N)Oc3c(c(CCC)nn3CCC)[C@H]2c2ccc(O)c(O)c2)cc1 1864013579 CYEOEVFRMCFUNM-XMMPIXPASA-N 548.640 4.235 10 10 KICE CCc1nn(CC(C)C)c2c1[C@@H](c1ccccc1F)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865073000 BMHHRCZZORKLOR-RUZDIDTESA-N 533.648 4.293 10 10 KICE CC/C(=C\C(=O)N[C@@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(Br)ccc1OC 1867115685 LIAFEBHXRTVBCX-IGVGMEOHSA-N 577.431 4.142 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](c3ccc(F)cc3)C(C)C)CC2)cc1 1868853073 QYXRQYUYSDFUJX-VMPREFPWSA-N 533.644 4.356 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCN(C(=O)C5CCCCC5)CC4)nc(C(C)(C)C)n3)CC2)cc1 1869187675 ZYORYIGUECZWGZ-UHFFFAOYSA-N 520.722 4.338 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCN(c5ccccc5)C(=O)C4)nc(-c4ccc(F)cc4)n3)CC2)cc1 1869285751 UTDLPVQQPAPCED-UHFFFAOYSA-N 538.627 4.471 10 10 KICE CCCCCn1cc(OCC(=O)OCCC(C)C)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870579955 YKDBSQASLPOZGG-UHFFFAOYSA-N 513.679 4.337 10 10 KICE CCN(CC)CCN1C(=O)C(Nc2ccc3c(c2)OCO3)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873426029 SCOUAMQRJJZEFM-UHFFFAOYSA-N 500.599 4.357 10 10 KICE C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C3SC(=S)N(CCCC(=O)O)C3=O)c2)C[C@H](C)O1 2314476080 IIEXLDOYZRXXQO-PMACEKPBSA-N 626.782 4.403 10 10 KICE C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)CN2C(=O)C(=Cc3ccc(Cl)cc3)SC2=S)[C@H]2CCS(=O)(=O)C2)o1 2314828818 LRELHISQNTZOOJ-BPAFIMBUSA-N 565.138 4.474 10 10 KICE COc1cc(N2C(=O)N=C(O)/C(=C/c3cc(Br)c(O)c(OC)c3)C2=O)c(OC)cc1Cl 34138035 WNLZCMBMEDRNHQ-WMZJFQQLSA-N 511.712 4.341 10 10 KICE COc1ccc(CCN2C(=O)/C(=C\c3c(N4CCCCC4)nc4ccccn4c3=O)SC2=S)cc1OC 100885037 MEWIHXZEEPSLCL-OQKWZONESA-N 536.679 4.146 10 10 KICE O=C(CCN1CCOCC1)NN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)SC1=S 101034066 OFRBMDVUGOEVGI-CJLVFECKSA-N 554.097 4.147 10 10 KICE Cc1cc(N2C(=O)NC(=O)/C(=C/c3c(C)nn(-c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3C)C2=O)ccc1Br 1084106946 JHZZVCOMQSPDJX-YVLHZVERSA-N 569.328 4.043 10 10 KICE CCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2Cl)[C@@H]1c1ccc(O)c(O)c1 1864015662 UURBPFHSVFGQJP-KRWDZBQOSA-N 522.911 4.236 10 10 KICE CCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCc1ccccc1)=C(N)O2 1864019130 GROIHDXVPYNONG-AREMUKBSSA-N 524.621 4.349 10 10 KICE CCCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2ccccc2F)[C@H]1c1ccc(O)c(O)c1 1864019436 YPWORZUYRQHSPW-HSZRJFAPSA-N 508.594 4.435 10 10 KICE NC1=C(C(=O)N2CCCC2)[C@@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(Cc3ccc(Cl)cc3)c2O1 1865034345 UGIPPXASXPFDQP-SFHVURJKSA-N 534.922 4.332 10 10 KICE CCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1ccc(C(C)C)cc1 1865153561 YECPOXMLFFVWEP-SANMLTNESA-N 515.658 4.387 10 10 KICE CC[C@](C)(NC(=O)c1cc(C2CC2)n2nc(C)cc2n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867171264 PEQZISJMPCLPLB-PMERELPUSA-N 521.577 4.228 10 10 KICE CC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867911927 YYUSZBTYJVPYAQ-RPWUZVMVSA-N 516.042 4.166 10 10 KICE COc1ccc(C=C2C(=O)NC(=S)N(c3ccccc3)C2=O)cc1COc1ccc(NC(C)=O)cc1 2296138986 IGVZVZVEXURQJH-UHFFFAOYSA-N 501.564 4.064 10 10 KICE CCSC1=NSC2=NC(=O)C(=Cc3ccc(OC(=O)c4ccc(OC)c(OC)c4)c(OC)c3)C(=N)N12 2297341099 UWWJDFHBVFWARS-UHFFFAOYSA-N 526.596 4.261 10 10 KICE CCOc1ccc(-n2c(C)cc(C=C3C(=O)N(C)c4ccc(S(=O)(=O)N5CCOCC5)cc43)c2C)cc1 2297508781 JJXIGQSXNYGJBI-UHFFFAOYSA-N 521.639 4.031 10 10 KICE CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccc(C(C)(C)C)cc3)C2=O)ccc1OCC(=O)O 2314932543 NQFOEFAPPHADHY-UHFFFAOYSA-N 514.625 4.392 10 10 KICE COc1ccc(N2CCN(CCCNC(=O)c3c(C)nn(-c4ccc(F)cc4)c3-n3cccc3)CC2)cc1 8591846 SFOIDBHQMPQMGP-UHFFFAOYSA-N 516.621 4.061 10 10 KICE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3cn(CCOc4ccc(C)cc4)c4ccccc34)C(=N)N21 96460238 AMTKPIYWKJTFFL-RDJYZGLESA-N 521.624 4.040 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Cl)cc3Cl)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 254519393 HVJDHYFGRAXMSQ-JOCHJYFZSA-N 516.450 4.171 10 10 KICE CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCC(Cc3ccccc3)CC1)[C@H]2c1ccc(O)c(O)c1 1865035505 VRHXBNNKIGVHKW-VWLOTQADSA-N 516.642 4.443 10 10 KICE O=C(N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cccc(N2CCCC2=O)c1 1866612204 PYMMWAPQVPWCNK-NDEPHWFRSA-N 573.605 4.274 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCN(c5ccccn5)CC4)nc(-c4ccccc4)n3)CC2)cc1 1867971922 MUKUYTIBNQJCNV-UHFFFAOYSA-N 507.642 4.200 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCN[C@H](c5ccc(F)cc5)C4=O)nc(-c4ccccc4)n3)CC2)cc1 1869210644 RFSZAVNTGSVHSQ-GDLZYMKVSA-N 538.627 4.295 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)[C@H](C)Oc4ccc(O)cc4)n(-c4ccc(C)cc4)n3)CC2)cc1 1869969488 DAZGDYOVEPRITJ-NRFANRHFSA-N 528.613 4.023 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCCCN(C)C)C(=O)N(CC3CCC(C(=O)OC(C)C)CC3)C2=O)cc1 1873165685 PMFBSPKYYBROKQ-UHFFFAOYSA-N 548.728 4.473 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@H](C)c3ccccc3)CC2)cc1 1874643101 SCKWMIRMWXQQAY-PZGXJGMVSA-N 510.638 4.356 10 10 KICE CCOCCCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(Cc2ccc(F)cc2)C1=O 2297460015 HONOLKFPOXVAIY-UHFFFAOYSA-N 512.632 4.382 10 10 KICE COC(=O)c1ccc(C(=O)OC)c(N/C(C)=C2/C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccc(OC)cc2)c1 205970486 FDWDFHCEGWWQNC-LFVJCYFKSA-N 544.520 4.314 10 10 KICE COc1ccc(/C=C2/SC(=S)N(CCC(=O)N(Cc3ccc(N4CCCCC4)o3)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 207308764 PMRBDXWZHXRNLV-OHQZHEALSA-N 603.788 4.086 10 10 KICE Cc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(OC(C)(C)C)cc1)=C(N)O2 1864009692 KNADASOBHSMMJC-DEOSSOPVSA-N 520.630 4.447 10 10 KICE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)N2CCC[C@H](C)C2)[C@H]3c2ccc(O)c(O)c2)c1 1865027777 KYYDBPKADKKYFF-GKVSMKOHSA-N 502.615 4.221 10 10 KICE CCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N([C@H](C)CC)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867580682 WGAZLGSAOKNNQD-MXUAVAHLSA-N 575.754 4.389 10 10 KICE CC(=O)Oc1ccc(C[C@@H](NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867847682 TVEDPYXABUIMNC-PPTMTGTBSA-N 660.728 4.487 10 10 KICE COc1ccc(-c2nc(CC(=O)N[C@@H](Cc3ccccc3)C(=O)N3CCN(c4ccc(OC)cc4)CC3)c(C)o2)cc1 1868655892 DLEKZHLTKOLJQK-PMERELPUSA-N 568.674 4.286 10 10 KICE CC[C@@](C)(NC(=O)CCc1nc(-c2ccc(OC)cc2)cs1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868915170 WTJHAJAYAXNALK-GDLZYMKVSA-N 536.698 4.394 10 10 KICE COC(=O)C1CCC(CNC(=O)CCn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@@H]32)CC1 2297718173 XIIZZJDPCZJUOA-CMDAQFAFSA-N 528.653 4.274 10 10 KICE COc1c(Br)cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1Br 2313558828 KSGMZKCEGJWPHX-UHFFFAOYSA-N 514.170 4.191 10 10 KICE O=C1C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCCC3)c2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 2314476861 XCLYGXWXSSCAQZ-HSZRJFAPSA-N 628.823 4.102 10 10 KICE CC[C@@H](Oc1ccc(C=C2SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)cc1OC)C(=O)O 2314931482 FYCPAZYDUNNFCW-OAHLLOKOSA-N 506.989 4.137 10 10 KICE COc1cc(/C=C2\C(=O)N(c3ccc(F)cc3)C(=S)N=C2O)cc(I)c1OC 33409691 AJXHRRIRNPAAPX-QPEQYQDCSA-N 512.300 4.119 10 10 KICE COc1ccc(N2CCN(c3ncnc(Oc4ccc(Br)c5cccnc45)c3N)CC2)cc1 40727873 OIWVCWAVMNONQH-UHFFFAOYSA-N 507.392 4.497 10 10 KICE Cc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCCC1)=C(N)O2 1864011293 FWPAZOAQPYASTD-XMMPIXPASA-N 506.578 4.324 10 10 KICE Cn1nc(C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1-c1ccco1 1867252886 NVEAHLDVDIJTON-DEOSSOPVSA-N 544.567 4.435 10 10 KICE CC(=O)Oc1cccc(C(=O)N[C@@H](C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c2ccccc2)c1 1867296596 PNQNBFPFKAMXQJ-XZWHSSHBSA-N 542.680 4.492 10 10 KICE COc1ccccc1C(=O)N[C@H](Cc1ccc(OC(C)=O)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867916494 RHXGBAYBKNRMGT-FIRIVFDPSA-N 586.733 4.371 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)C[C@H](C)c3cccc(OC)c3)CC2)cc1 1868939298 CNQOMIPBIMSOHL-IADCTJSHSA-N 515.654 4.274 10 10 KICE COc1ccc(N2CCN(Cc3cc(=O)c(OCC(=O)Nc4cccc(C)c4)cn3CC(C)C)CC2)cc1 1870729698 QDQVOTDRWZBUIU-UHFFFAOYSA-N 518.658 4.161 10 10 KICE COc1ccc(N2CCN(c3nc(=NCCc4ccc(C)cc4)nc(Nc4ccc(F)cc4)[nH]3)CC2)cc1 1871517488 OYSNLEMDYZODSP-UHFFFAOYSA-N 513.621 4.474 10 10 KICE COc1ccc(OCCN2C(=O)C(NCc3ccccn3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873163892 BSWNRDGQYDWYPO-UHFFFAOYSA-N 522.605 4.446 10 10 KICE Nc1c(N=Nc2ccc(S(=O)(=O)CCOS(=O)(=O)O)cc2)c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(N=Nc3cc(N=c4[nH]c(F)nc(F)c4Cl)ccc3S(=O)(=O)O)c(O)c12 2333207359 LBWKOUMCXLSLPR-UHFFFAOYSA-N 959.300 4.179 10 10 KICE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CC(C)C)C3=O)c(N3CCN(c4ccccc4)CC3)nc12 1450040 IBJMBQOCIIQAOY-CJLVFECKSA-N 519.696 4.187 10 10 KICE O=c1[nH]ncn1-c1ccc(N2CCN(c3ccc(OC[C@@H]4CO[C@](Cn5cncn5)(c5ccc(Cl)cc5Cl)O4)cc3)CC2)cc1 27993544 FBAPZOQKYAPBHI-JOMNFKBKSA-N 649.539 4.133 10 10 KICE O=C1/C(=C/c2c(NC3CCCC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccc2c(c1)OCO2 33726910 JCSKDLXQSBFTKM-NDENLUEZSA-N 506.609 4.179 10 10 KICE COc1cccc(CN2CCC(N(c3ccc4c(c3)OCO4)S(=O)(=O)c3ccc(C)cc3)CC2)c1O 34683982 RJEQSOSVSQMWCQ-UHFFFAOYSA-N 510.612 4.298 10 10 KICE COc1cc(/C=C2\C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)ccc1OCc1ccc(C)cc1 102471526 LVWUYDJVUUEWNU-WJQQQHEKSA-N 517.611 4.214 10 10 KICE COc1ccc(OC)c(C2=C(O)C(=O)N(c3cc(OC)c(OC)c(OC)c3)[C@@H]2c2ccc(O)c(O)c2)c1 526633594 SZDPOGNVJIEYBA-XMMPIXPASA-N 509.511 4.198 10 10 KICE CCOCCOC(=O)[C@@H](CC)n1cc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 1860826747 LOQMWRXWNHYFRN-SQVRNEIYSA-N 504.630 4.238 10 10 KICE CN(C)c1ccc([C@@H](CNC(=O)c2c[nH]c3ccc(I)cc3c2=O)N2CCCCC2)cc1 1866154785 ILPHIORHQQQWBL-HSZRJFAPSA-N 544.437 4.156 10 10 KICE O=C(N[C@H](Cc1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(C2CC2)[nH]n1 1867147958 IBUFIVJQZOECSR-XMMPIXPASA-N 504.546 4.042 10 10 KICE CC[C@@](C)(NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867817149 ADONAROQCQFPLL-LBNVMWSVSA-N 554.648 4.119 10 10 KICE Cc1cc(C)cc(OCCNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCN(C)C)C2=O)c1 1873168736 HURPPRDEPRWSON-UHFFFAOYSA-N 500.643 4.021 10 10 KICE O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)C1=Cc1cc(Br)c(N2CCOCC2)o1 2294244499 QEPKYEHQVBQYAG-UHFFFAOYSA-N 531.215 4.017 10 10 KICE Cc1cc(C=C2C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)c(C)n1-c1ccc(Cl)cc1Cl 2296215356 IAHABIJTKDAPCO-UHFFFAOYSA-N 545.452 4.269 10 10 KICE CCN(CC)CCOC(=O)c1ccc(NC(=O)CN2C(=O)C(=Cc3ccc(OC)cc3)SC2=S)cc1 2297297563 LMTAMTNGZWOXJF-UHFFFAOYSA-N 527.668 4.034 10 10 KICE CCOC(=O)N1CCN(c2nc3ccc(C)cn3c(=O)c2C=C2SC(=S)N([C@H](C)c3ccccc3)C2=O)CC1 2314399257 CRDPSNISBFIUHH-LJQANCHMSA-N 563.705 4.244 10 10 KICE CCOCCCN1C(=O)/C(=C/c2c(NCCc3ccccc3)nc3ccc(C)cn3c2=O)SC1=S 33780919 KIEXJKWELBUSQF-PGMHBOJBSA-N 508.669 4.285 10 10 KICE CCn1c(NCCc2ccccc2)c(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c(C)c(C#N)c1=O 40066406 LHADCMIBLNGUPW-HBEGMLAUSA-N 508.669 4.083 10 10 KICE COc1ccc(N2CCN(CCCNC(=O)CN3C(=O)/C(=C\c4cccc(Cl)c4)Oc4ccccc43)CC2)cc1 101632443 RIYPMYLLTAIATR-XHLNEMQHSA-N 561.082 4.444 10 10 KICE Cc1cc(C)cc(OCCOc2ccc(/C=C3\C(=N)N4N=C(CC(=O)N5CCCC5)SC4=NC3=O)cc2)c1 103607112 ISMBIVXRFFODAM-VMJYKDGMSA-N 531.638 4.393 10 10 KICE C[C@@H]1C[C@H]1c1ccc(CN(C(=O)CN2C(=O)/C(=C\c3ccc(Cl)cc3)SC2=S)[C@@H]2CCS(=O)(=O)C2)o1 1615296203 LRELHISQNTZOOJ-SSNBBSKJSA-N 565.138 4.474 10 10 KICE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)NC(C)C)=C(N)O3)cc1 1864022006 IJANJNCOSLOTCK-DEOSSOPVSA-N 542.592 4.187 10 10 KICE CCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCC1)=C(N)O2 1865032639 HOWBMHNODWDUGI-OAQYLSRUSA-N 539.430 4.316 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)C[C@@H](c3ccc4c(c3)OCCO4)C3CC3)CC2)cc1 1868692610 CVGQXTVMEQWSEJ-LOYHVIPDSA-N 569.702 4.426 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCNC(=O)[C@@H]4c4cn(C)c5ccccc45)nc(C(C)C)n3)CC2)cc1 1869104565 RNLQXPFNWNQTHX-LJAQVGFWSA-N 539.684 4.104 10 10 KICE COc1ccc(CCN2C(=O)C(NC[C@@H]3CCCO3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1OC 1873166572 RYKWQNBCRLYCBP-VWLOTQADSA-N 529.637 4.203 10 10 KICE COc1ccc(CN2C(=O)C(NCCCCN(C)C)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873167791 XRCFGMRSAOLMGJ-UHFFFAOYSA-N 500.643 4.314 10 10 KICE CCN(CC)CCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2nc3ccccc3[nH]2)C1=O 1873169141 BDROOZOQQVMRBT-UHFFFAOYSA-N 510.642 4.182 10 10 KICE COc1ccc(C=C2SC(=S)N(CCCC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1 2053494131 LTIVRYYXKABWIP-UHFFFAOYSA-N 522.652 4.113 10 10 KICE COC(=O)c1c(C(F)(F)F)nn([C@@H](c2ccc(OC)cc2O)C2CCC2)c1I 2079863089 QWYMGJUXFXFYDD-CQSZACIVSA-N 510.250 4.397 10 10 KICE Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccc(F)cc4)C3=O)c(NCCCn3ccnc3)nc12 2295979419 KCZKZEGGVLEFEU-UHFFFAOYSA-N 534.642 4.242 10 10 KICE COc1cc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OCc1cccc(C(=O)O)c1 2313564856 BWZQECHZILDGRL-UHFFFAOYSA-N 522.966 4.457 10 10 KICE CN(C)c1ccc2c(c1)Oc1cc(N(C)C)ccc1C21OC(=O)c2cc(C(=O)NCCOCCOCCOCCNC(=O)CCCC[C@@H]3SC[C@H]4NC(=O)N[C@@H]43)ccc21 1857791916 BWYKRFATNNMLLL-ATAYRHEDSA-N 831.005 4.008 10 10 KICE CCOC(=O)c1c(NC(=O)C(=O)NCc2cccnc2)sc(C)c1-c1ccc(Br)cc1 1860759123 VDVBJRKBVGFVNQ-UHFFFAOYSA-N 502.390 4.313 10 10 KICE CCC[C@H](NC(=O)c1ccc2nc(-c3ccccc3)[nH]c2c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862093426 SIFAIAUHPHOXMJ-SANMLTNESA-N 511.626 4.486 10 10 KICE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)NCc2ccc(F)cc2)[C@H]3c2ccc(O)c(O)c2)c1 1864012407 ZGRILFCHIPPPSA-SANMLTNESA-N 528.584 4.418 10 10 KICE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N(CCO)Cc1ccccc1)[C@@H]2c1ccc(O)c(O)c1 1865031184 AXJYQADWZGZTJB-RUZDIDTESA-N 540.620 4.087 10 10 KICE CCOC(=O)N1CCN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(-c3ccccc3Cl)n2)CC1 1867979160 JKFZXMNDQZIIJL-UHFFFAOYSA-N 537.064 4.411 10 10 KICE COc1ccc(N2CCN(Cc3cc(=O)c(OCC(=O)OCCC(C)C)cn3CCC(C)C)CC2)cc1 1870580560 ABMHGZFYUZAVMP-UHFFFAOYSA-N 513.679 4.193 10 10 KICE CC(=O)NCCN1C(=O)C(NCc2cccc(C(F)(F)F)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873163050 TYLDJVAMZYQBSU-UHFFFAOYSA-N 524.543 4.119 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(N[C@H]3CCCC[C@@H]3C)C(=O)N(Cc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 1873170420 ZDVPDUVBWOMXNU-SIBVEZHUSA-N 546.693 4.190 10 10 KICE COc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OCc1ccc2c(c1)OCO2 2297347840 SZRRRMMVGHWZHQ-UHFFFAOYSA-N 512.316 4.216 10 10 KICE CCc1cccc2c(C=C3C(=O)N(CC)c4ccc(S(=O)(=O)N5CCOCC5)cc43)cn(CC(=O)N3CCCCC3)c12 2297508988 GRIUTMATSVHEMO-UHFFFAOYSA-N 590.746 4.144 10 10 KICE O=C(CCN1CCOCC1)NN1C(=O)/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S 35519490 OJGKVPMVOGNGRH-PDGQHHTCSA-N 512.440 4.208 10 10 KICE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCCCOc4ccc(C)cc4C)cc3)C(=N)N21 101395506 UORICLQUJQGAOQ-ARJKYRGMSA-N 526.640 4.163 10 10 KICE COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(OCc4ccccc4)cc3)C2=O)ccc1OCC(=O)O 210937829 UPDPZWWKXSTTLT-UCQKPKSFSA-N 550.614 4.284 10 10 KICE CCOC(=O)c1sc(NC(=O)C(=O)Nc2sc(C)c(-c3ccc(C)cc3)c2C(=O)OC)nc1C 1860765840 QBFPPMVQNICJCG-UHFFFAOYSA-N 501.586 4.337 10 10 KICE Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1Cl)=C(N)O2 1864008641 OWPPWWCEUGKPEQ-XMMPIXPASA-N 516.985 4.315 10 10 KICE Cc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1Cl)=C(N)O2 1864012079 QKHMNTNUOAQMFI-XMMPIXPASA-N 534.975 4.455 10 10 KICE CCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H]1CCCC[C@@H]1C)=C(N)O2 1864017231 IPZQCNXZRCLUCT-SWDVRCMSSA-N 518.614 4.244 10 10 KICE CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](C)C1)=C(N)O2 1865029075 FRXZRWBAYKQFJS-UUOWRZLLSA-N 502.615 4.498 10 10 KICE CCC[C@H](NC(=O)Cc1csc(COc2ccc(C)cc2)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868591899 QYSZREJQMCSQTD-SANMLTNESA-N 536.698 4.215 10 10 KICE COc1ccc(N2CCN(Cc3cc(=O)c(OCCCc4ccccc4)cn3CCCN(C)C)CC2)cc1 1870688253 AVTPIGDHXAAJDE-UHFFFAOYSA-N 518.702 4.142 10 10 KICE Cc1ccc(Cn2nc(I)c(I)c2C(F)(F)F)c(O)c1 2079196417 GOWISVAVYLIJFI-UHFFFAOYSA-N 508.019 4.173 10 10 KICE COc1cc(C=C2SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)ccc1OCC(=O)N1CCCCC1 2314764480 DIBJIYKPGKHXJU-UHFFFAOYSA-N 590.521 4.395 10 10 KICE Cn1c(=O)c2c(-c3ccc(Cl)cc3)n3c(c2n(C)c1=O)[C@@H](c1ccc(O)cc1O)Nc1ccccc1-3 21659117 WKYBICACOAYLGV-JOCHJYFZSA-N 500.942 4.274 10 10 KICE C[C@H]1CN(C2=NC(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N4CCCC4)c3)S2)C[C@@H](C)O1 101013410 JTUBGOSNSMSFRS-GNUDVLMQSA-N 577.732 4.403 10 10 KICE CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](C)C1)=C(N)O2 1865029074 FRXZRWBAYKQFJS-MHECFPHRSA-N 502.615 4.498 10 10 KICE CC[C@@H](NC(=O)CCSc1nnc(-c2ccccc2)n1C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867075150 IGBGVLXJGLRRFD-JOCHJYFZSA-N 553.644 4.273 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)CCCc3ccc(OC)c(OC)c3)c3ccccc3)CC2)cc1 1868727389 QLFSMSJWVJBPPP-PMERELPUSA-N 531.653 4.241 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCN5CCc6c(F)cccc6[C@H]5C4)nc(C(C)C)n3)CC2)cc1 1869103116 FMUNLXSHJDEOSH-HHHXNRCGSA-N 516.665 4.494 10 10 KICE COc1ccc(N2CCN(S(=O)(=O)c3ccc(OCC(=O)Nc4c(C)cc(C)cc4C)cc3)CC2)cc1 1872719531 NKEPCZOUAABFSH-UHFFFAOYSA-N 523.655 4.149 10 10 KICE COCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCCc3c[nH]c4ccccc34)ncnc21 1875223379 JONSIJVXKRYWLA-UHFFFAOYSA-N 553.667 4.185 10 10 KICE COc1ccc(C=C2SC(=S)N(CCC(=O)N(Cc3cccc(Cl)c3)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 2296851815 LOSALALYMDNQQT-HXUWFJFHSA-N 565.138 4.156 10 10 KICE CC(C)S(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OC(=O)c4cccs4)c(Cl)c3)C(=N)N21 2297345870 JRSDWIRRSLROJX-UHFFFAOYSA-N 523.017 4.021 10 10 KICE CCOc1c(I)cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1I 2313558027 RBQMSDNQHSVYCH-UHFFFAOYSA-N 606.129 4.100 10 10 KICE CC(C)c1nc2c(Cl)cc(C(F)(F)F)cn2c1C=C1SC(=S)N([C@@H](C(=O)O)[C@@H](C)O)C1=O 2323823524 OEYVVCSBQIKAEQ-XLKFXECMSA-N 507.943 4.165 10 10 KICE CCCn1c(N2CCOCC2)c(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)c(C)c(C#N)c1=O 39989932 WQEMDIQOYCDUSU-OSVNEOKWSA-N 508.669 4.237 10 10 KICE CC(C)(C)C(=O)OC[C@H](N=[N+]=[N-])[C@@H]1O[C@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C 503922970 JLKYKJIAGQRDOG-QXDIGNSFSA-N 541.642 4.485 10 10 KICE Cc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(C(F)(F)F)c1)=C(N)O2 1864009422 HAQBSBRVIZDDEN-NRFANRHFSA-N 516.520 4.289 10 10 KICE CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCC(C)C)=C(N)O2 1864013093 PXURETXTUHFMBN-QHCPKHFHSA-N 508.594 4.291 10 10 KICE CCOCCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@H]1c1ccc(O)c(O)c1 1864014595 ZBKVIGJELYPGEC-XMMPIXPASA-N 526.593 4.188 10 10 KICE CCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)cc2)[C@H]1c1ccc(O)c(O)c1 1864015829 WRVHPQCYSFLHED-MRXNPFEDSA-N 508.884 4.177 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)[C@@H](C)c4ccccc4)n(-c4ccc(OC)cc4)n3)CC2)cc1 1869970755 WXGNCKXPXPSJRP-NRFANRHFSA-N 512.614 4.353 10 10 KICE COCCN1C(=O)C(NC2CCN(Cc3ccccc3)CC2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873162220 KXBRHBYFSPAAQJ-UHFFFAOYSA-N 512.654 4.075 10 10 KICE Cc1ccc(CN2C(=O)C(=Cc3c(N4C[C@H](C)O[C@H](C)C4)nc4c(C)cccn4c3=O)SC2=S)cc1 2040467046 UHYAQIVTQDGDKM-KDURUIRLSA-N 520.680 4.326 10 10 KICE Oc1cc(O)c2c(c1)O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]4c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2 2085696244 BYSRPHRKESMCPO-OOWTUQIMSA-N 864.765 4.242 10 10 KICE CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccc(C(=O)O)cc4)c(OC)c3)C2=O)cc1 2294124659 QYXRMYQQCLHFAX-UHFFFAOYSA-N 500.507 4.201 10 10 KICE CN1C(=O)C(=Cc2cn(Cc3ccccc3F)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 2297508845 PTWWTNFGHHMQJT-UHFFFAOYSA-N 531.609 4.367 10 10 KICE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCc1ccc2c(c1)OCO2 2313557425 CNWRNGRRWYQEMF-UHFFFAOYSA-N 524.888 4.462 10 10 KICE COc1ccc(CCN2C(=O)C(=Cc3c(NC[C@@H]4CCCO4)nc4ccc(C)cn4c3=O)SC2=S)cc1OC 2314413641 CXWHQVFSJQEULM-IBGZPJMESA-N 566.705 4.055 10 10 KICE CC[C@H](C)Nc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O 34254898 ZLSSCWQRMINVPZ-BBJIBYMTSA-N 508.625 4.343 10 10 KICE CCOC(=O)CCCCCN1C(=O)/C(=C\c2ccc(OCC(=O)N3CCCCC3)cc2)SC1=S 40928515 UNKOEAVBUMJHOQ-HEHNFIMWSA-N 504.674 4.403 10 10 KICE Cc1c(/C=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c(NCc2ccc3c(c2)OCO3)n(C)c(=O)c1C#N 163506136 LWJUOFPMVWNFOV-MXAYSNPKSA-N 626.720 4.110 10 10 KICE CCOc1ccc(-n2c(C)cc(C=c3sc(=C(C#N)C#N)n(-c4ccc(OCC)cc4)c3=O)c2C)cc1 254398428 CIMMXTGPMIVVGE-UHFFFAOYSA-N 510.619 4.131 10 10 KICE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccccc1)=C(N)O2 1864012433 ZTLLRFSGOZVYTQ-VWLOTQADSA-N 531.012 4.358 10 10 KICE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)N2CCCC[C@H]2C)[C@H]3c2ccc(O)c(O)c2)c1 1865028348 SHNFGRGOOZOPBY-CJAUYULYSA-N 502.615 4.363 10 10 KICE Cc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(Cc3ccccc3)CC1)=C(N)O2 1865029150 HFXXSLLUMBBZCZ-AREMUKBSSA-N 516.642 4.435 10 10 KICE COc1ccc(-c2nn(CC(C)C)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)N2CCCCC2)=C(N)O3)cc1 1865033845 IVEWTFJXKPUTGN-QHCPKHFHSA-N 518.614 4.333 10 10 KICE CSCC[C@@H](NC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867206569 UYJPHVCLVRZBAA-HSZRJFAPSA-N 555.656 4.206 10 10 KICE CSCC[C@H](NC(=O)c1ccc2cc[nH]c2c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867673342 TYBSBTXBVCDGDD-AHKZPQOWSA-N 521.731 4.429 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(N[C@@H](C)c3ccccc3)C(=O)N(CCCN3CCOCC3)C2=O)cc1 1873168310 QOAPSFKKLBVLQT-DEOSSOPVSA-N 512.654 4.247 10 10 KICE CC(=O)NCCN1C(=O)C(Nc2ccc(Br)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422149 IMEWBDWOKGAQQD-UHFFFAOYSA-N 521.415 4.185 10 10 KICE C[C@H]1Cc2cc(-c3nn(-c4ccccc4)cc3C=C3SC(=S)N([C@H]4CCS(=O)(=O)C4)C3=O)ccc2O1 2296541910 IKDALLQSFLPWAU-KKSFZXQISA-N 537.688 4.251 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)C=Cc3ccc(F)cc3)CC2)cc1 2328572950 SRFYKRHALQWYIV-MHZLTWQESA-N 505.565 4.063 10 10 KICE Cc1c(NC(=O)CN2C(=O)/C(=C3/SC(=S)N(Cc4ccccc4)C3=O)c3ccccc32)c(=O)n(-c2ccccc2)n1C 2533475 GVJWMSIGHCXBEZ-IMVLJIQESA-N 595.706 4.241 10 10 KICE CCOC(=O)CCCN1C(=O)/C(=C\c2ccc(OCC(=O)N3CCCCC3)c(OCC)c2)SC1=S 40938794 SUJYQFLWKGTUPT-LTGZKZEYSA-N 520.673 4.021 10 10 KICE CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccco1)=C(N)O2 1864012645 FVHSUKJRBREGKQ-QHCPKHFHSA-N 518.545 4.038 10 10 KICE CCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1864014879 FKVROBDWDJYOJU-MRXNPFEDSA-N 508.884 4.177 10 10 KICE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N[C@H](C)c1ccccc1)[C@H]2c1ccc(O)c(O)c1 1864022657 PRIRWFZGALQEGZ-ACJLOTCBSA-N 502.493 4.295 10 10 KICE NC1=C(C(=O)N2CCCCCC2)[C@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3ccccn3)c2O1 1865031905 QXINSKWYGPKXIK-XMMPIXPASA-N 523.593 4.443 10 10 KICE CCc1nn(-c2ccccc2)c2c1[C@H](c1ccco1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865315857 OLQKLYNHTCSYGU-SANMLTNESA-N 525.609 4.080 10 10 KICE CCC[C@@H](NC(=O)[C@@H](Cc1ccccn1)c1ccccc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868663834 KKKFCZXVMBSHDQ-WUFINQPMSA-N 500.643 4.050 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)C[C@@H](c3ccc(F)cc3)c3cccc(F)c3)CC2)cc1 1868719464 QTUBTKDDRHNJKR-DCFHFQCYSA-N 507.581 4.349 10 10 KICE CCOC(=O)COc1c(Cl)cc(C=C2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1Cl 2294005044 RCIDXJWMOCQECE-UHFFFAOYSA-N 513.786 4.420 10 10 KICE O=C1C(=Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)SC(=S)N1CCS(=O)(=O)O 2296727651 VFKFCXZLDLEWAH-UHFFFAOYSA-N 506.030 4.282 10 10 KICE CCN(CC)C(=O)COc1ccc(C=C2SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)cc1OC 2314764737 LADZTFLVGULUCV-UHFFFAOYSA-N 534.059 4.142 10 10 KICE NC(=O)C1CCN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(CCCCCCCCCCC(=O)O)C2=O)CC1 100850572 FWLAEPISAZTGBA-ZBJSNUHESA-N 599.779 4.193 10 10 KICE Cc1cccn2c(=O)c(/C=C3/SC(=S)N([C@@H](C)c4ccccc4)C3=O)c(NCCCN3CCOCC3)nc12 103661135 WHZQAKMTFFTIGQ-KNOQIOAQSA-N 549.722 4.100 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1 1862282972 GOVWMTOFEPBTBU-MUUNZHRXSA-N 515.654 4.388 10 10 KICE COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCCCc2ccccc2)[C@@H]3c2ccc(O)c(O)c2)cc1 1864007258 IZQKLSDZMSINEW-AREMUKBSSA-N 526.593 4.044 10 10 KICE CC(C)OCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@H]1c1ccc(O)c(O)c1 1864013883 HZDGZDUDFOPWDC-XMMPIXPASA-N 526.593 4.186 10 10 KICE CCCc1nn(CC)c2c1[C@@H](c1cccc(OCC)c1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865246034 MRCNZCCDOOQXJB-AREMUKBSSA-N 545.684 4.306 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)Cc3nc(-c4cccc(OC)c4)oc3C)CC2)cc1 1868654608 XXKHXOUTFYTKOI-SSEXGKCCSA-N 568.674 4.286 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)CCCSC)n(-c4ccc(Cl)cc4)n3)CC2)cc1 1869970311 IJKKWGMMYOPUKX-UHFFFAOYSA-N 501.056 4.338 10 10 KICE COc1ccc(OCCn2cc(OCC(C)C)c(=O)cc2CN2CCN(c3ccc(OC)cc3)CC2)cc1 1870437995 KFOLVSXMMWIFGX-UHFFFAOYSA-N 521.658 4.302 10 10 KICE COc1ccc(N2CCN(Cc3cc(=O)c(OC)cn3C[C@H](c3ccccc3)N3CCCC3)CC2)cc1 1870555915 DIILFYCHOHXKCK-MUUNZHRXSA-N 502.659 4.025 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3cccc(C(=O)OC(C)C)c3)C(=O)N(CCN(C)C)C2=O)cc1 1873421049 DIMGNANMKXCUDE-UHFFFAOYSA-N 514.626 4.413 10 10 KICE CN1C(=O)C(=Cc2ccc(OCc3ccc(Br)cc3)c(Br)c2)C(=O)NC1=S 2294204795 BZJJVSXXNFWSDJ-UHFFFAOYSA-N 510.207 4.047 10 10 KICE COc1cc(C=C2C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccc(C(=O)O)cc1 2294259037 CLSIRBQMSXAGPB-UHFFFAOYSA-N 502.548 4.112 10 10 KICE CCOc1c(Br)cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1I 2313557549 GABSVUNLDUKEKF-UHFFFAOYSA-N 559.129 4.258 10 10 KICE CCN(CC)c1ccc(CN(CCOC)C(=O)c2ccco2)c(OS(=O)(=O)c2ccc(OC)cc2)c1 37423655 DOFMTJWERUTIFY-UHFFFAOYSA-N 516.616 4.191 10 10 KICE CCCn1c(N2C[C@H](C)O[C@@H](C)C2)c(/C=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c(C)c(C#N)c1=O 137730086 KSVVNUNLOAROAF-KLLVMDPRSA-N 618.785 4.256 10 10 KICE CCOc1ccc(C2=C(O)C(=O)N(c3cc(C(=O)OC)ccc3C(=O)OC)[C@H]2c2ccc(O)c(O)c2)cc1 526601732 ULNJCLDKLDJJBJ-DEOSSOPVSA-N 519.506 4.127 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)cc3OC)c(=O)n2[C@@H]1c1ccc(Cl)cc1 725401763 XSQMXISSAPGRCF-RUZDIDTESA-N 540.085 4.307 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)[C@H](C)Oc3ccc(Cl)cc3)c3ccccc3)CC2)cc1 1862216915 CMFZUGDAXQEPHK-RXFWQSSRSA-N 508.018 4.322 10 10 KICE Cc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCc1ccccc1)=C(N)O2 1864009903 MXENKGJAROLWFY-SANMLTNESA-N 528.584 4.234 10 10 KICE CCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1F)=C(N)O2 1864019231 WXBCIAIGDNBABG-XMMPIXPASA-N 532.547 4.194 10 10 KICE CCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1OC)=C(N)O2 1864019629 NVRPQTGGCZOCGS-SANMLTNESA-N 540.620 4.233 10 10 KICE CCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOc3ccccc31)=C(N)O2 1865034881 GTSSSAOBGPVMJY-VWLOTQADSA-N 542.567 4.164 10 10 KICE CCCOc1cccc([C@@H]2C(C(=O)N3CCN(c4ccc(OC)cc4)CC3)=C(N)Oc3c2c(CCC)nn3C)c1 1865264497 MQVCEDHHYGEGOE-SANMLTNESA-N 545.684 4.213 10 10 KICE CN(C)c1ccc([C@@H](CNC(=O)CCCCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)N2CCCCC2)cc1 1866024769 AQUCTIZXAVOLAI-RUZDIDTESA-N 535.645 4.161 10 10 KICE CCN(CC)C(=O)COc1cn(CCc2cnc[nH]2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871081997 HROQKHLDSYATHU-UHFFFAOYSA-N 514.630 4.417 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(OC(C)C)cc3)C(=O)N(CCN3CCOCC3)C2=O)cc1 1873425551 FHUNULLXGDYZES-UHFFFAOYSA-N 528.653 4.406 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)c3ccc(F)c(F)c3)CC2)cc1 1874643138 TVSNBRIJAHWWHT-MHZLTWQESA-N 518.564 4.145 10 10 KICE CCOC(=O)c1ccc(NC(=O)CN2C(=O)/C(=C3/SC(=S)N([C@H](C)CC)C3=O)c3ccccc32)cc1 2509081 HRCXSJNVBTUCQO-UCMDFWOYSA-N 523.636 4.219 10 10 KICE COc1ccc(C(=O)Nc2nc3c(s2)CCC[C@@H]3C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 8979451 XQZJUZYQOQZSDJ-QFIPXVFZSA-N 506.628 4.181 10 10 KICE CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N(CCCC(=O)O)C2=O)cc1 39835939 VYCPAHBZXVHGAI-XMHGGMMESA-N 509.609 4.424 10 10 KICE CCCC[C@H](CC)CN1C(=O)/C(=C\c2c(N3CCC4(CC3)OCCO4)nc3ccccn3c2=O)SC1=S 100920169 KGZPVXUDPVLTHA-MXTRNAPSSA-N 542.727 4.455 10 10 KICE CCc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@](CC2CCCCC2)(C(=O)O)N[C@H]3c2cccc(OC)c2O)cc1 251997604 LJRARDMNNBPJNY-MVPDCNEZSA-N 506.599 4.207 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)c3cccc4ccccc34)CC2)cc1 1862240255 UNUDNDSVDNRKAS-LJAQVGFWSA-N 509.606 4.244 10 10 KICE CCN(CC)CCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1864013393 ARTYBWATWDIXRF-VWLOTQADSA-N 539.636 4.103 10 10 KICE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NC1CCCC1)[C@H]2c1ccc(O)c(O)c1 1864017191 HRHQZXHWXCCGMZ-QFIPXVFZSA-N 504.587 4.133 10 10 KICE C[C@H]1CCCN(C(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3Cc3ccccc3)[C@@H]2c2ccc(O)c(O)c2)C1 1865033883 JQAXTECCTDVVAU-YWZLYKJASA-N 528.531 4.315 10 10 KICE O=C(C[C@@H]1CCCCO1)N[C@H](Cc1ccc(F)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867244005 LZYHUESFRXFWCF-NBGIEHNGSA-N 514.553 4.226 10 10 KICE COc1ccc(N2CCN(Cc3cc(=O)c(OCCC(C)C)cn3CCCCN3CCCC3)CC2)cc1 1870352594 BUVGFRGPFGMZDV-UHFFFAOYSA-N 510.723 4.480 10 10 KICE CCc1ccc(Nc2nc(=NCCCOC(C)C)nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]2)cc1 1871585998 ZLZHPMGVSCELDA-UHFFFAOYSA-N 505.667 4.162 10 10 KICE CCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2NCCc2ccc(OC)c(OC)c2)SC1=S 40066569 WWOMWJHODZBTOW-HMAPJEAMSA-N 526.684 4.239 10 10 KICE COc1ccc(CCN2C(=O)/C(=C/c3c(N4CCN(Cc5ccccc5)CC4)nc4ccccn4c3=O)SC2=S)cc1OC 105605990 WQZGDZXCGCBJPU-HFTWOUSFSA-N 627.792 4.478 10 10 KICE CCCCn1c(N2CCN(Cc3ccccc3)CC2)c(/C=C2\SC(=S)N(CC)C2=O)c(C)c(C#N)c1=O 110529449 MXJIBQWDMCIOGS-ULJHMMPZSA-N 535.739 4.372 10 10 KICE CC[C@@H](C)NC(=O)C1=C(N)Oc2c(c(C)nn2Cc2c(F)cccc2Cl)[C@@H]1c1ccc(O)c(O)c1 1864009700 KOZRGCUVLAIYCR-GTJPDFRWSA-N 500.958 4.053 10 10 KICE Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCc3ccccc31)=C(N)O2 1865028640 XCEJEDWZTDXAOA-AREMUKBSSA-N 508.578 4.325 10 10 KICE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C(F)(F)F)nn4C)[C@H]3c3cccc(Cl)c3)CC2)cc1 1865097545 SYQOETWZHJZZTA-LJQANCHMSA-N 547.965 4.144 10 10 KICE CC[C@@](C)(NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866604562 PPUGBGVTXSFRFA-MGBGTMOVSA-N 575.577 4.388 10 10 KICE O=C(Nc1ccc(F)c(F)c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866855094 AJFCDUWCFQICKR-VWLOTQADSA-N 553.521 4.045 10 10 KICE CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCC[C@H](CS(=O)(=O)c3ccccc3)C2)n1 1869124708 JUAZHJXUHGNMKY-QHCPKHFHSA-N 535.714 4.065 10 10 KICE COc1ccc(N2CCN(Cc3cc(=O)c(OCC4CCCCC4)cn3CCc3cnc[nH]3)CC2)cc1 1870482919 GNELBKUSUSDGCP-UHFFFAOYSA-N 505.663 4.104 10 10 KICE O=C1C(=Cc2c(NC[C@H](O)c3ccccc3)nc3ccccn3c2=O)SC(=S)N1C1CCCCC1 2296546052 JXYRERDXHLJMHX-FQEVSTJZSA-N 506.653 4.374 10 10 KICE COc1c(C=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(CCN(C)C(=S)NCc2ccccc2)cc2c1OCO2 2296926455 NGLGEKGMXHLJKY-UHFFFAOYSA-N 607.088 4.293 10 10 KICE COc1ccc(CCN2C(=O)NC(=O)C(=Cc3cc(C)n(-c4ccc(Cl)cc4)c3C)C2=O)cc1OC 2296938964 ZXFIDNSBIHTZAN-UHFFFAOYSA-N 507.974 4.469 10 10 KICE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCc1ccc(C(=O)O)cc1 2313557872 NURVXQQDPWTJPS-UHFFFAOYSA-N 524.888 4.431 10 10 KICE CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCc4ccccc4)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 6378543 MVRNLUQFOPVFHJ-ACJNQYEBSA-N 553.684 4.443 10 10 KICE COc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(CCCCCC(=O)O)C1=O 101062144 WFUQBPUBODEMDP-XDJHFCHBSA-N 525.608 4.342 10 10 KICE Cc1cc(/C=C2/C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)c(C)n1-c1ccc(Cl)cc1Cl 102583348 IAHABIJTKDAPCO-UQJNUVEPSA-N 545.452 4.269 10 10 KICE O=C(/C=C\c1ccccc1)N(C(=O)/C=C\c1ccccc1)S(=O)(=O)c1ccc(N=NN2CCOCC2)cc1 254487077 PANWASRJJZJYOS-HNBNMECJSA-N 530.606 4.488 10 10 KICE Cc1ccc2nc(N3CCC[C@@H](C)C3)c(/C=C3\SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(=O)n2c1 1772721306 GSEMUEYTKKDXOZ-OYADDEIPSA-N 586.743 4.443 10 10 KICE Cc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(Cl)cc1)=C(N)O2 1864012351 YCPPELXQHSYZNR-VWLOTQADSA-N 549.002 4.497 10 10 KICE NC1=C(C(=O)NCc2cccnc2)[C@@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(Cc3ccccc3)c2O1 1864016623 UINWDYFUUWWKFY-SANMLTNESA-N 545.599 4.416 10 10 KICE CCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H]1CCCC[C@@H]1C)=C(N)O2 1864018866 SOUOUSXVVQSUNZ-FBOFTVOISA-N 520.605 4.434 10 10 KICE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1C)=C(N)O2 1865029298 KBQCWNIAJXZKTD-OSPHWJPCSA-N 518.614 4.340 10 10 KICE NC1=C(C(=O)N2CCCC2)[C@@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(Cc3ccccc3)c2O1 1865032062 VBKYHVIECVQCBM-DEOSSOPVSA-N 508.578 4.327 10 10 KICE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4-c4ccccc4)[C@@H]3c3cccc(F)c3)CC2)cc1 1865541763 JYJNQQIYDOBFME-MHZLTWQESA-N 539.611 4.372 10 10 KICE CC(C)[C@@H](CC(=O)N[C@@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(Cl)cc1 1866754804 KKKRVBLBEUHNKB-VWNXMTODSA-N 518.997 4.361 10 10 KICE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)cccc21 1866877323 HGWVGZQUCPTWNZ-SKCUWOTOSA-N 557.606 4.181 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCN(C(=O)C5CC5)CC4)nc(-c4ccccc4Cl)n3)CC2)cc1 1869237468 WEIOETLINXENSN-UHFFFAOYSA-N 533.076 4.191 10 10 KICE CCOC(=O)c1cccc(-c2ccc(C=C3C(=O)N(c4ccc(S(N)(=O)=O)cc4)N=C3C(F)(F)F)o2)c1 2297312525 WXQVNEFRBPASIV-UHFFFAOYSA-N 533.484 4.119 10 10 KICE CCc1cccc(CC)c1N1C(=O)[C@H]2[C@H](C1=O)[C@](Cc1ccc([N+](=O)[O-])cc1)(C(=O)O)N[C@H]2c1ccc(N(C)C)cc1 248015000 CRSOHDJFGBFGHA-ACIRYHQQSA-N 570.646 4.302 10 10 KICE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCCCc2ccccc2)[C@H]3c2ccc(O)c(O)c2)cc1 1864009101 ZGHQXGHBMNHQKY-SANMLTNESA-N 510.594 4.344 10 10 KICE CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccccc1)=C(N)O2 1864013230 TYXNHUXLRJTKLE-AREMUKBSSA-N 524.621 4.349 10 10 KICE CC(C)NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2Cl)[C@@H]1c1ccc(O)c(O)c1 1864015192 LVYFZMIVLXKFJN-INIZCTEOSA-N 508.884 4.175 10 10 KICE CCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCC1)=C(N)O2 1864019954 SCWBDSWSURSANZ-JOCHJYFZSA-N 509.006 4.312 10 10 KICE CC(C)[C@H](CC(=O)N[C@@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(Cl)cc1 1866754803 KKKRVBLBEUHNKB-UPVQGACJSA-N 518.997 4.361 10 10 KICE COc1ccc(CCN2C(=O)c3ccc(C(=O)N[C@H](C)C(=O)NC[C@H](c4ccc(N(C)C)cc4)N4CCCCC4)cc3C2=O)cc1 1867493776 BKRDEDYKYYSZIN-GPNASLBKSA-N 625.770 4.062 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](c3ccc(OC)c(OC)c3)C(C)C)CC2)cc1 1868864746 ZRQSPWKCVJQQDZ-IZEXYCQBSA-N 575.706 4.234 10 10 KICE COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCS[C@H](c3ccc(OC)cc3)C2)n1 1869115202 GRCSUEUWNOQUFJ-SANMLTNESA-N 535.714 4.304 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)C4=Cc5ccccc5OC4)n(-c4ccc(C)cc4)n3)CC2)cc1 1869969439 CEHOTCDPCOAYJS-UHFFFAOYSA-N 522.609 4.325 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)CCc4ccccc4)n(-c4ccc(OC)cc4)n3)CC2)cc1 1869970868 YTCYOLGSVDETGI-UHFFFAOYSA-N 512.614 4.182 10 10 KICE COc1ccc(C=C2SC(=S)N(CCCC(=O)NCCc3ccc(OC)c(OC)c3)C2=O)cc1 2297500712 YPMJUHZNLIGRHP-UHFFFAOYSA-N 500.642 4.053 10 10 KICE Cc1ccc(OCCCOc2ccc(/C=C3\C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2Cl)cc1 101398106 RQTGBQHHRIRNFQ-NFBUKIRSSA-N 533.031 4.118 10 10 KICE CCCn1c(N2CCN(c3ccc(F)cc3)CC2)c(/C=C2\SC(=S)N(CCCOC)C2=O)c(C)c(C#N)c1=O 110527211 LZBBRBFAJRYCEF-ULJHMMPZSA-N 569.728 4.142 10 10 KICE Cc1cccn2c(=O)c(/C=C3\SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)nc12 150620714 XOAMBCATTJYPKW-CEUNXORHSA-N 707.838 4.257 10 10 KICE COc1cccc([C@H]2CN(C)[C@@]3(C(=O)N(C)c4ccc(F)cc43)[C@@]23SC(=S)N(Cc2ccco2)C3=O)c1 227249034 LJEIUUBZLKIRLN-COFKYPDJSA-N 537.638 4.128 10 10 KICE Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@@H](C)C1)=C(N)O2 1865027597 JSRCQUJPBONDIG-HUYGQZFBSA-N 509.006 4.444 10 10 KICE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCOc3ccccc31)[C@H]2c1ccc(O)c(O)c1 1865034084 ONEDKOCJAARYCJ-IBGZPJMESA-N 530.503 4.089 10 10 KICE CC[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867883163 QILYVJYWHGVXRJ-LADGPHEKSA-N 516.042 4.166 10 10 KICE CCC[C@@H](NC(=O)[C@@H](C)c1ccc(Br)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868837155 BIDLGCOQARDITF-FDDCHVKYSA-N 502.453 4.195 10 10 KICE CCOc1cc(C=C2C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OC(=O)c1cccs1 2297467860 IXNRLVSHSDGNEE-UHFFFAOYSA-N 503.565 4.428 10 10 KICE C[C@H]1CCCCN1C(=O)Cn1cc(C=C2C(=O)N(C)c3ccc(S(=O)(=O)N4CCOCC4)cc32)c2cc(Br)ccc21 2297508997 HLGPSUIZBXRITH-FQEVSTJZSA-N 641.588 4.343 10 10 KICE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C3SC(=S)N(CC(=O)O)C3=O)c2)C1 2314476393 NSBNYFOILZHHST-RTBURBONSA-N 596.756 4.492 10 10 KICE O=C1C(=Cc2ccc(Cl)cc2)SC(=S)N1CC(=O)N(Cc1ccc(N2CCCCC2)o1)[C@@H]1CCS(=O)(=O)C1 2314828527 FTIYYWASXGTVAB-HXUWFJFHSA-N 594.180 4.340 10 10 KICE C[C@@H]1C[C@H]1c1ccc(CN(C(=O)CN2C(=O)C(=Cc3ccc(Cl)cc3)SC2=S)[C@H]2CCS(=O)(=O)C2)o1 2314828819 LRELHISQNTZOOJ-MOXGXCLJSA-N 565.138 4.474 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)C=Cc3ccccc3Cl)CC2)cc1 2330460776 JSQXUSXWLQVRAW-MHZLTWQESA-N 504.030 4.438 10 10 KICE CC[C@@H](C)N1C(=O)/C(=C\c2c(N3CCN(c4ccccc4F)CC3)nc3ccc(C)cn3c2=O)SC1=S 100880746 CQWNMVTZCRHLSH-GNFOSXPUSA-N 537.686 4.468 10 10 KICE CN(C)c1ccc(/C=C2/N=C(SCC(=O)c3c(O)on[n+]3-c3ccccc3)N(c3ccccc3)C2=O)cc1 104847220 DVPWCVBRHSUECH-HAVVHWLPSA-O 526.598 4.083 10 10 KICE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NC1CCCCC1)[C@@H]2c1ccc(O)c(O)c1 1864017356 KIDCWUPBHXQYIS-JOCHJYFZSA-N 504.587 4.133 10 10 KICE CCCN(CCC(=O)OCC)C(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1 1865032332 ALNYNSGLLFSVJC-RUZDIDTESA-N 548.640 4.041 10 10 KICE COc1ccc(CCN2C(=O)/C(=C\c3c(C)c(C#N)c(=O)n(C)c3N3CCC(C)CC3)SC2=S)cc1 2253381 JTMIZYKYZSGBIO-HZHRSRAPSA-N 522.696 4.254 10 10 KICE COc1ccc(N2CCN(C(=O)CSc3nc(Cl)cc(N4CCN(C(=O)c5ccc(C)cc5)[C@@H](C)C4)n3)CC2)cc1 102193954 GZVMBTFEWGCWTH-QFIPXVFZSA-N 595.169 4.239 10 10 KICE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccccc1)=C(N)O2 1864007075 FOIXUEOQWGUYOV-XMMPIXPASA-N 516.985 4.299 10 10 KICE Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccccc1)=C(N)O2 1864008360 IXCZUCKVCWFALP-DEOSSOPVSA-N 516.985 4.299 10 10 KICE Cc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1F)=C(N)O2 1864008498 LKMFCOQLNDSGNV-HSZRJFAPSA-N 520.948 4.395 10 10 KICE CCc1nn(CC(C)C)c2c1[C@H](c1cccc(OC)c1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865581625 IOFMADVEEMEFQU-SANMLTNESA-N 545.684 4.162 10 10 KICE O=C(Nc1ccc(F)c(F)c1)C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866855093 AJFCDUWCFQICKR-RUZDIDTESA-N 553.521 4.045 10 10 KICE COc1cccc(OC)c1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867361637 JDAKSBRJQBPCCF-WUFINQPMSA-N 574.722 4.160 10 10 KICE CCN(CC)S(=O)(=O)c1ccc(C=CC(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1 2042439971 PFZWPGLYJMUDGP-UHFFFAOYSA-N 538.622 4.293 10 10 KICE COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(Br)c1OCC(N)=O 34869061 HULZABRTPFNDRY-XDHOZWIPSA-N 506.356 4.156 10 10 KICE Cc1cccn2c(=O)c(/C=C3/SC(=S)N([C@H](C)c4ccccc4)C3=O)c(NCCCN3CCOCC3)nc12 103661143 WHZQAKMTFFTIGQ-SXKRPYPPSA-N 549.722 4.100 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@@H]1c1ccccc1OC 252670729 LNSXFLRBHMVWBW-HHHXNRCGSA-N 545.636 4.354 10 10 KICE CN(C)c1ccc2c(c1)Oc1cc(N(C)C)ccc1C21OC(=O)c2cc(C(=O)NCCOCCOCCOCCNC(=O)CCCC[C@@H]3SC[C@H]4NC(=O)N[C@H]43)ccc21 1857791917 BWYKRFATNNMLLL-CVTWUAINSA-N 831.005 4.008 10 10 KICE CCCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCC(C)C)=C(N)O2 1864013758 ZYDMBSKEPGSIRU-HSZRJFAPSA-N 508.594 4.291 10 10 KICE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N[C@H](C)c1ccc(OC)cc1)[C@H]2c1ccc(O)c(O)c1 1864022979 SVNJRQUZKPAUBD-YJYMSZOUSA-N 532.519 4.304 10 10 KICE CC[C@@](C)(NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccn1)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867477224 OPGSZDBCFWXKNV-QTQRRKOQSA-N 610.759 4.186 10 10 KICE COCCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCCc3ccccc3)ncnc21 1875220138 IKBHLSUIGLKMTK-UHFFFAOYSA-N 528.657 4.093 10 10 KICE COc1ccc(CN2C(=O)/C(=C/c3c(N4CCCCCC4)nc4ccccn4c3=O)SC2=S)cc1 33468025 YTOWSQHUVKVXEV-PGMHBOJBSA-N 506.653 4.485 10 10 KICE CCCCN1C(=O)/C(=C\c2c(N3CCN(c4ccccc4)CC3)nc3ccc(C)cn3c2=O)SC1=S 33910112 LSGJKELIZFMPTO-OQKWZONESA-N 519.696 4.331 10 10 KICE Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C2\SC(=S)N([C@H](CCC(=O)O)C(=O)O)C2=O)cc1 101965258 AYGZQUMAIWNLLO-HPKGMJOESA-N 593.477 4.294 10 10 KICE Cc1cc(Br)c(N2C(=O)NC(=O)/C(=C\NN3C(=O)c4cccc5c(Br)ccc(c45)C3=O)C2=O)cc1C 103917401 HIGVYMSSTWIXQT-MHWRWJLKSA-N 612.234 4.249 10 10 KICE COc1cc(/C=C2\C(=N)N3C(SC)=NSC3=NC2=O)cc(OC)c1OCCOc1ccc(C)cc1 104372266 LPIMBLFUWCDFNH-LECIVKJOSA-N 512.613 4.410 10 10 KICE CC(C)(C)C(=O)OC[C@H](N=[N+]=[N-])[C@H]1O[C@@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C 200581390 JLKYKJIAGQRDOG-ADHGMGHFSA-N 541.642 4.485 10 10 KICE in-vitro Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(CNC(=O)/C=C/c3ccc(Cl)cc3Cl)cc2)cc1 1858959371 PDEUYNKYPXAIDF-UUILKARUSA-N 520.394 4.383 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)C(C)(C)Oc3ccc(Cl)cc3)CC2)cc1 1862111563 GAXFDXYWMGEAIL-HSZRJFAPSA-N 520.095 4.093 10 10 KICE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCCc3ccccc31)[C@@H]2c1ccc(O)c(O)c1 1865034257 SCQLDQFPUUNRGC-LJQANCHMSA-N 514.504 4.397 10 10 KICE O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(-c2cccnc2)[nH]n1 1867159728 XEJUZUHEZSOFHD-SANMLTNESA-N 541.567 4.227 10 10 KICE COc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCc3cnc[nH]3)C2=O)c([N+](=O)[O-])c1 1873426408 WTNFBLJXLRSGHE-UHFFFAOYSA-N 526.553 4.169 10 10 KICE COc1ccc(N2CCN(CCC(=O)c3cccc(OC(=O)COc4ccccc4OC)c3)CC2)cc1 1874734635 YYHSIPXBPZRCCJ-UHFFFAOYSA-N 504.583 4.083 10 10 KICE COc1cc(C=C2C(=N)N3C(SC)=NSC3=NC2=O)cc(OC)c1OCCOc1cccc(C)c1 2297333777 QFLOOEKDESJYNK-UHFFFAOYSA-N 512.613 4.410 10 10 KICE Cc1ccc(C(=O)O)cc1-c1ccc(C=C2SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)o1 2297561478 FIHXOZCALBDGQK-UHFFFAOYSA-N 506.492 4.357 10 10 KICE CCOCCCNc1nc2ccc(C)cn2c(=O)c1C=C1SC(=S)N(CCc2ccc(OC)c(OC)c2)C1=O 2314413756 GUZXANDQQOWPBA-UHFFFAOYSA-N 568.721 4.303 10 10 KICE O=C1C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCCCC3)c2)SC(=S)N1[C@H]1CCS(=O)(=O)C1 2314475974 GSMZVLXHSILMSM-DEOSSOPVSA-N 642.850 4.492 10 10 KICE CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)cc(Br)c1OCC(=O)N1CCOCC1 2314764711 KGSXCDXYCAIOJR-UHFFFAOYSA-N 685.416 4.394 10 10 KICE CC(C)c1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)c(OCC(=O)O)c(Br)c3)C2=O)cc1 100081623 AXLIMZMFWYFDGQ-CHHVJCJISA-N 566.202 4.465 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4cccc(C)c4)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 1083944728 JXFPLNHEZDIPQQ-HHHXNRCGSA-N 527.646 4.433 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)/C=C/c3cccc(Cl)c3)CC2)cc1 1862137430 KCZQUNVFAXQJHW-QSVQOIOGSA-N 520.029 4.144 10 10 KICE Cc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C(=O)NC[C@H]2CCCO2)[C@@H]3c2ccc(O)c(O)c2)cc1 1864014495 WGEPOBZOUILART-RCZVLFRGSA-N 538.604 4.249 10 10 KICE CCc1nn(-c2ccccc2)c2c1[C@H](c1ccccc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865022169 CIBLSXLHNMQYRG-MHZLTWQESA-N 535.648 4.487 10 10 KICE CCCN(CCC)C(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccc(OC)cc2)[C@H]1c1ccc(O)c(O)c1 1865033162 UBARCBPZSSSYFJ-HSZRJFAPSA-N 506.603 4.198 10 10 KICE O=C(Cc1ccc(N2CCOCC2)cc1)N[C@@H](Cc1ccc(F)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866907659 WEKBCYIZEQGINL-PMERELPUSA-N 591.639 4.346 10 10 KICE CN(C)c1ccc([C@H](CNC(=O)C(C)(C)NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)N2CCCCC2)cc1 1867745700 KORYHPHTRMGGCB-NDEPHWFRSA-N 618.244 4.432 10 10 KICE CCOc1cc(C=C2SC(=S)NC2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 2297331703 PKBIUIGGHPUNGT-UHFFFAOYSA-N 514.444 4.413 10 10 KICE CN1CCN(CN2C(=O)C(=C3SC(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)c3ccccc32)CC1 2313621559 RRCVPTZMOFHQIQ-UHFFFAOYSA-N 519.479 4.321 10 10 KICE O=C(O)CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCCC3)c2)SC1=S 2314475736 BFUKKVURLMDRGU-UHFFFAOYSA-N 582.729 4.390 10 10 KICE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2C=C2SC(=S)N(CCCC(=O)O)C2=O)c1C 2314506447 CYMRXQIKERUPQQ-UHFFFAOYSA-N 509.609 4.478 10 10 KICE Cn1c(=O)c2c(-c3ccc(Cl)cc3)n3c(c2n(C)c1=O)[C@H](c1ccc(O)cc1O)Nc1ccccc1-3 21659119 WKYBICACOAYLGV-QFIPXVFZSA-N 500.942 4.274 10 10 KICE CCOC(=O)COc1ccc(/C=C2/C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1OCC 101746281 UNSXDZWMXKRNDZ-UVTDQMKNSA-N 523.394 4.165 10 10 KICE COc1c(I)cc(I)cc1/C=C1\C(=O)NC(=O)N(c2ccc(C)cc2C)C1=O 103813855 DORGTGJFEYSICL-RIYZIHGNSA-N 602.166 4.188 10 10 KICE COc1ccc(CCN2C(=O)/C(=C/c3c(N4C[C@H](C)O[C@H](C)C4)nc4ccc(C)cn4c3=O)SC2=S)cc1 105666964 IYVYXKQPJRKCPF-FVIPPFNKSA-N 550.706 4.069 10 10 KICE CCN(CC)C(=O)COc1ccc(/C=C2/SC(=S)N(CCOc3ccc(OC)cc3)C2=O)cc1 1858586674 GODABEUSFWJBBS-CJLVFECKSA-N 500.642 4.223 10 10 KICE Cc1cccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3Cc3ccccc3F)[C@H]2c2ccc(O)c(O)c2)c1 1864010232 PXGMIAKHOPLXLU-RUZDIDTESA-N 514.557 4.110 10 10 KICE CCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cc(C)ccc1C)=C(N)O2 1864017735 TXLLBFQZPLHEJL-SANMLTNESA-N 540.620 4.482 10 10 KICE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCc1cccs1)[C@H]2c1ccc(O)c(O)c1 1864021670 FGIBQBVGULCSIT-KRWDZBQOSA-N 522.549 4.084 10 10 KICE CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(c3cccc(C)c3)CC1)=C(N)O2 1865030218 GEKGKLOESLKUIZ-RUZDIDTESA-N 531.657 4.009 10 10 KICE Cc1ccc(-c2nc(CC(=O)N[C@H](C)C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c(C)o2)cc1 1866651325 KTVQTZJJXJVCGT-QGZVFWFLSA-N 507.546 4.420 10 10 KICE CC(=O)Oc1ccc(C[C@H](NC(=O)c2ccc3oc(O)nc3c2)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 1867137070 ZRNISZZYYFMWRT-SANMLTNESA-N 589.560 4.214 10 10 KICE CC(C)N1C(=O)c2ccc(C(=O)N[C@@H](Cc3ccccc3)C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O 1867436462 ZXINDWNFSZRSNZ-ACHIHNKUSA-N 609.771 4.442 10 10 KICE CSCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccn1)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867479275 GUTLEBWHIWTWIN-IOWSJCHKSA-N 642.826 4.139 10 10 KICE COc1cc(C(=O)N[C@H](Cc2ccccc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c([N+](=O)[O-])cc1OC 1867807209 UROGAHXCLZSIEK-PXJZQJOASA-N 603.720 4.363 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)c3c(C)cc(C)n(-c4ccccc4)c3=O)CC2)cc1 1869012139 RLBBMDPLJSAACW-SSEXGKCCSA-N 564.686 4.153 10 10 KICE CCOC(=O)c1ccccc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCN2CCOCC2)C1=O 1873425557 FOMPTKICVCAOKQ-UHFFFAOYSA-N 556.663 4.185 10 10 KICE CCCCN(CCC)C(=O)c1cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc2n1CCOC 1873557393 PZIYXKQJRMUORV-UHFFFAOYSA-N 508.667 4.065 10 10 KICE CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC)c(COc4ccc(NC(C)=O)cc4)c3)C2=O)cc1 2295869843 JSNFVWDUZAZYEC-UHFFFAOYSA-N 529.549 4.298 10 10 KICE O=C(CN1C(=O)C(=C2SC(=S)N(C[C@@H]3CCCO3)C2=O)c2ccccc21)Nc1cccc(C(F)(F)F)c1 2296538525 VMQHYGYWHNLFQA-INIZCTEOSA-N 547.580 4.441 10 10 KICE CC1CCN(C2=NC(=O)C(=Cc3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N(C)C)c3)S2)CC1 2296849814 ZOFMHSZGAINRQK-UHFFFAOYSA-N 535.695 4.492 10 10 KICE COc1ccc(CCN2C(=O)/C(=C\c3c(N4C[C@@H](C)O[C@H](C)C4)nc4c(C)cccn4c3=O)SC2=S)cc1OC 100850388 KNBFAFNWTJWMIX-KTMBLSSYSA-N 580.732 4.078 10 10 KICE COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)cc(Br)c1O 101744963 BDMIOGQAWGQMAO-RIYZIHGNSA-N 544.246 4.472 10 10 KICE O=C1/C(=C\c2c(NCc3ccc4c(c3)OCO4)nc3ccccn3c2=O)SC(=S)N1Cc1ccccc1 102852272 CIWFEGGCSIIRGL-LPYMAVHISA-N 528.615 4.437 10 10 KICE Cc1cccc(COc2ccc(/C=C3\C(=N)N4N=C(CC(=O)N5CCOCC5)SC4=NC3=O)cc2Cl)c1 103614834 GIIQSKWTVBSXAB-UNJPEWJUSA-N 538.029 4.095 10 10 KICE COc1ccccc1CNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2cc(C)ccc2C)[C@@H]1c1ccc(O)c(O)c1 1864011411 HHHILSNQTXDNSD-MHZLTWQESA-N 540.620 4.287 10 10 KICE CCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1864016163 IRFLUNWTNDGPGT-OAQYLSRUSA-N 502.958 4.435 10 10 KICE CCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN(C)C)=C(N)O2 1864022491 XYCRGODDFBWAKI-SANMLTNESA-N 541.652 4.152 10 10 KICE C[C@@H]1CCCC[C@@H]1NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccn2)[C@H]1c1ccc(O)c(O)c1 1864023292 XNRSDLZKTTXALD-FRIZHTMISA-N 529.519 4.087 10 10 KICE CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1ccc(OCC)cc1 1865282779 IXKBYWGSHYGSHL-SANMLTNESA-N 545.684 4.306 10 10 KICE COc1cc(/C=C2\C(=O)N(Cc3cccc(F)c3)N=C2c2ccccc2)ccc1OCCN1CCOCC1 1865665780 LFMSAKTXFFNUCJ-XHPQRKPJSA-N 515.585 4.375 10 10 KICE Cc1nc(C)c(CC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)s1 1866571372 PIHRBDVYOVMCDP-DEOSSOPVSA-N 539.613 4.150 10 10 KICE COc1ccc(-c2csc(CCC(=O)N[C@H](CCSC)C(=O)N3CCN(c4ccc(OC)cc4)CC3)n2)cc1 1868914545 SRWQEUDVKJNTIP-RUZDIDTESA-N 568.765 4.347 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCNC(=O)[C@@H]4c4cn(C)c5ccccc45)nc(-c4cccnc4)n3)CC2)cc1 1869374004 DHWMPOJRRJNFFY-HKBQPEDESA-N 574.689 4.043 10 10 KICE CCOc1ccc(C)cc1NC(=O)c1cc(OC(C)=O)c2c(c1)C(=O)c1cccc(OC(C)=O)c1C2=O 1873930310 PGIVPCWWICNAMN-UHFFFAOYSA-N 501.491 4.272 10 10 KICE COc1ccc(OCC(=O)Oc2ccc(C(=O)CCN3CCN(c4ccc(OC)cc4)CC3)cc2)cc1 1874745149 IRMKVVDAKNZGOW-UHFFFAOYSA-N 504.583 4.083 10 10 KICE COc1ccc(N2CCN(C(=O)c3cc4c(NCCCn5ccnc5)ncnc4n3Cc3ccccc3)CC2)cc1 1875217598 AFHJGGHWABZIQD-UHFFFAOYSA-N 550.667 4.149 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)C=Cc4ccc(OC)c(OC)c4)n(C(C)(C)C)n3)CC2)cc1 2331397228 XRNBPQWLDMLTHP-UHFFFAOYSA-N 520.634 4.037 10 10 KICE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CCCc4ccccc4)C3=O)c(NC[C@H]3CCCO3)nc12 33651198 IBTPEPOHINWBJA-JFLDFIPSSA-N 520.680 4.428 10 10 KICE COc1cc(C(=O)NN2C(=O)c3cc(Cl)ccc3N[C@H]2c2ccc(N(C)C)cc2)cc(OC)c1OC 39920008 CMHYQZWCIYUICW-XMMPIXPASA-N 510.978 4.343 10 10 KICE CCn1c(NCc2ccc(F)cc2)c(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c(C)c(C#N)c1=O 40066505 SYRRBCPUNPASFA-UTYYKHSJSA-N 512.632 4.180 10 10 KICE O=C(O)COc1ccccc1/C=C1/SC(=S)N(NC(=O)c2ccc(OCc3ccccc3)cc2)C1=O 59815329 QVEBOBSNEMXQBG-HYARGMPZSA-N 520.588 4.275 10 10 KICE COc1ccc(N2CCN(c3ncnc4sc(C(=O)N5CCN(Cc6ccc7c(c6)OCO7)CC5)c(C)c34)CC2)cc1 100664823 HJTZKANIPKFXTG-UHFFFAOYSA-N 586.718 4.022 10 10 KICE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCCCOc4cccc(C)c4C)cc3)C(=N)N21 101395527 PAXIWZJIMYHWGD-ARJKYRGMSA-N 526.640 4.163 10 10 KICE Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C2\SC(=S)N([C@H](C)C(=O)O)C2=O)cc1 101964988 BAAUOHZRCIVMKP-CCOVPTLTSA-N 535.441 4.449 10 10 KICE Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCC(=O)O)c(I)c3)C2=O)cc1Cl 150662588 INKSCZVIKXNBFB-UUILKARUSA-N 619.593 4.145 10 10 KICE CCN(CC)C(=O)C[C@@H]1CCN2C[C@H]1C=CCOc1ccccc1CN(Cc1ccccc1O)CC2=O 1616122675 MGWYIDXJPRZYJS-BJKOFHAPSA-N 505.659 4.066 10 10 KICE Cc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C(=O)NCCc2cnc[nH]2)[C@@H]3c2ccc(O)c(O)c2)cc1 1864013419 BDPKUKREIHVESZ-RUZDIDTESA-N 548.603 4.036 10 10 KICE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccco1)=C(N)O2 1864017129 GBUWRQYAFAOOCH-OAQYLSRUSA-N 506.946 4.103 10 10 KICE COc1ccc(N2CCN(c3cc(N4CC(=O)N5CCc6ccccc6[C@@H]5C4)nc(C(C)(C)C)n3)CC2)cc1 1869189239 JILGCIKOJNLSPV-SANMLTNESA-N 526.685 4.055 10 10 KICE COCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCc2ccc(OC)c(OC)c2)C1=O 1873165746 SMLPPCIBEIGRQI-UHFFFAOYSA-N 517.626 4.060 10 10 KICE CCN(CC)CCN1C(=O)C(Nc2ccc3c(c2)OCCO3)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873426177 VHOBFGZZDBGSTN-UHFFFAOYSA-N 514.626 4.399 10 10 KICE O=C(CN1C(=O)C(=C2SC(=S)N(C[C@@H]3CCCO3)C2=O)c2ccccc21)Nc1ccc(Cl)cc1 2296539397 UMGXXXQUGDVNNG-INIZCTEOSA-N 514.028 4.076 10 10 KICE COc1ccc(CCN2C(=O)C(=Cc3c(N4CCCC4)nc4c(C)cccn4c3=O)SC2=S)cc1OC 2296545342 IQRKAWVBYHZZOG-UHFFFAOYSA-N 536.679 4.064 10 10 KICE COc1ccc(N2CCN(c3nc4c(C)cccn4c(=O)c3C=C3SC(=S)N(CC(C)C)C3=O)CC2)cc1 2296703978 DRHVLLZPVBXMBA-UHFFFAOYSA-N 549.722 4.195 10 10 KICE COc1ccc(C(=O)Oc2ccc(C=C3C(=N)N4OC(C)=CC4=NC3=O)cc2Br)cc1OC 2297347680 SMOJQMGSRJOZNG-UHFFFAOYSA-N 512.316 4.136 10 10 KICE Cc1ccc2nc(N3C[C@@H](C)O[C@H](C)C3)c(C=C3SC(=S)N(Cc4ccccc4)C3=O)c(=O)n2c1 2314400635 OQSCBSGHMVCUER-QZTJIDSGSA-N 506.653 4.018 10 10 KICE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCc4ccc(F)cc4)c(Cl)c3)C(=N)N21 96460527 FIGQEZZNKOSKBM-JICKLIGNSA-N 506.968 4.069 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3c(OC)ccc4ccccc34)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 254303835 YCIXZTDVQLEWRV-MHZLTWQESA-N 527.646 4.026 10 10 KICE [N-]=[N+]=NC[C@@H]1CCCN1C(=O)c1cc(I)cc(I)c1I 701282909 YFZMOALTXPDAGF-QMMMGPOBSA-N 607.959 4.415 10 10 KICE Cc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCC1)=C(N)O2 1864008145 DMIIGZRJNCPQEG-OAQYLSRUSA-N 525.403 4.108 10 10 KICE NC1=C(C(=O)NCc2ccccc2F)[C@@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3ccccc3)c2O1 1864016072 ZNXOBHDRJFXUFE-FQEVSTJZSA-N 540.473 4.452 10 10 KICE Cc1cccc(CNC(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3-c3ccccn3)[C@H]2c2ccc(O)c(O)c2)c1 1864023492 ZLYYGQQIGXYZSY-HXUWFJFHSA-N 537.498 4.017 10 10 KICE Cc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1C)=C(N)O2 1865027801 LJGOELTYELRGPM-RCDICMHDSA-N 539.430 4.450 10 10 KICE CSCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N([C@H](Cc1ccccc1)C(=O)O)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867628224 YVNSZVVENVKOJR-DSPMFFIESA-N 699.874 4.239 10 10 KICE CC[C@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867785382 QKRSGJOYPDKODY-LBNVMWSVSA-N 550.704 4.113 10 10 KICE CCOc1ccc(-c2nc(N3CCN(c4ccc(OC)cc4)CC3)cc(N3C[C@@H](C)N(CCOC)[C@H](C)C3)n2)cc1 1869329610 UHNHJMIMXQUWGP-JWQCQUIFSA-N 560.743 4.423 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCC[C@H]4C(=O)NC4CCCCC4)nc(-c4cccnc4)n3)CC2)cc1 1869358594 UYFYCZDQLXSKQH-MHZLTWQESA-N 541.700 4.292 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)C(F)(F)F)n(-c4ccc(Cl)c(Cl)c4)n3)CC2)cc1 1869969011 ADHRPSSFKAVYTJ-UHFFFAOYSA-N 515.323 4.410 10 10 KICE CC1=NN(c2ccccc2)C(=O)C1=Cc1cc(Br)ccc1OC(=O)C=C1SC(=O)NC1=O 2314397319 ANWQGOQJVWCAMW-UHFFFAOYSA-N 512.341 4.028 10 10 KICE C=CCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(CCc2ccc(OC)c(OC)c2)C1=O 33524724 MJAYJFLIHALZQI-QNGOZBTKSA-N 522.652 4.062 10 10 KICE COc1cccc(OCCOc2c(I)cc(/C=C3/SC(=S)NC3=O)cc2OC)c1 100373796 RTYNPQJSWFUVLD-LICLKQGHSA-N 543.404 4.255 10 10 KICE COc1ccc(CN2C(=O)/C(=C\c3c(N4C[C@H](C)O[C@H](C)C4)nc4ccc(C)cn4c3=O)SC2=S)cc1 100851115 JYXGYIAFLYDUJL-DXUKYQHBSA-N 536.679 4.027 10 10 KICE Cc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\c2c(C)nn(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2C)C1=O 1084067771 LVLUAVVSIFDBFP-LICLKQGHSA-N 569.328 4.043 10 10 KICE CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1c[nH]c3ccccc13)=C(N)O2 1864020544 DICFSIKSRSVJHB-DEOSSOPVSA-N 515.614 4.048 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCN(CCc5ccccc5OC)CC4)nc(C(C)C)n3)CC2)cc1 1869088098 NCVIRNUOXQJETR-UHFFFAOYSA-N 530.717 4.309 10 10 KICE COc1ccc(N2CCN(Cc3ccc(C(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3)CC2)cc1 1872883863 APIKOZSZAASRAG-UHFFFAOYSA-N 511.626 4.068 10 10 KICE CCOC(=O)c1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCN(C)C)C2=O)cc1 1873421081 FZDNZXNQTSKCBX-UHFFFAOYSA-N 514.626 4.415 10 10 KICE Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccco4)C3=O)c(NCc3ccc4c(c3)OCO4)nc12 2296707863 SPFLITINEBZCRL-UHFFFAOYSA-N 532.603 4.338 10 10 KICE CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccc(F)cc3)C2=O)ccc1O[C@@H](CC)C(=O)O 2314933956 FMSZTLIFODTQJP-INIZCTEOSA-N 504.561 4.013 10 10 KICE Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccc(F)cc4)C3=O)c(NC[C@H]3CCCO3)nc12 33803773 LYPSGJISBCJJGE-BDBXIWDTSA-N 510.616 4.134 10 10 KICE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(Cc4ccco4)C3=O)c(NCc3ccc4c(c3)OCO4)nc12 102835909 SPFLITINEBZCRL-SRZZPIQSSA-N 532.603 4.338 10 10 KICE CN1C(=O)/C(=C/c2ccc(OCC(=O)N3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)cc2)SC1=S 207099099 IXSZSTAOUVAIFT-NDENLUEZSA-N 566.583 4.172 10 10 KICE COC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4cccc(Cl)c4)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 252676247 WMRNNAWHIINULY-RUZDIDTESA-N 534.037 4.388 10 10 KICE COC(=O)c1cccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)c2C)c1 1084600552 DLUCSZRAHREJIV-BKUYFWCQSA-N 522.355 4.310 10 10 KICE CCCC[C@@H](NC(=O)COc1cc(C)c(Cl)c(C)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862181600 JTSNWAWZBNNLCK-XMMPIXPASA-N 502.055 4.368 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](CSCc3ccccc3)NC(=O)c3sccc3C)CC2)cc1 1862246489 MFZGKEJAXKXTDQ-DEOSSOPVSA-N 509.697 4.446 10 10 KICE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)NC2CC2)=C(N)O3)cc1 1864017534 OMEHCIXKDBZVQV-DEOSSOPVSA-N 542.567 4.131 10 10 KICE COCCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCO[C@H](c3cccnc3)C2)n1 1868254279 KHBNEMGBDFBKBJ-DEOSSOPVSA-N 521.577 4.157 10 10 KICE Cc1c(NC(=O)CN2C(=O)C(=C3SC(=S)N(Cc4ccc(F)cc4)C3=O)c3ccccc32)c(=O)n(-c2ccccc2)n1C 2296714379 RDABAWHMDHSADG-UHFFFAOYSA-N 613.696 4.380 10 10 KICE CC(C)c1nc2c(Cl)cc(C(F)(F)F)cn2c1C=C1SC(=S)N([C@H](CC(=O)O)C(=O)O)C1=O 2323831520 YMIVILBYFCSXIC-LLVKDONJSA-N 521.926 4.259 10 10 KICE Cc1ccccc1OCCCn1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)c2ccccc21 96459891 LJTQWNHNGNOGQO-SVKNRIHUSA-N 521.624 4.040 10 10 KICE O=C1[C@@H]2[C@H](c3ccc(Br)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccccc1[N+](=O)[O-] 105487194 ZDAIVGQOPILOPN-ACRUOGEOSA-N 547.317 4.052 10 10 KICE O=C(O)CCCCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCOCC3)c2)SC1=S 110556578 GFVQBFFYCIYWBK-NCELDCMTSA-N 626.782 4.406 10 10 KICE CCCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC)=C(N)O2 1864013411 BAAONGRFCYNHKQ-VWLOTQADSA-N 528.609 4.237 10 10 KICE NC1=C(C(=O)NCc2cccnc2)[C@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(Cc3ccccc3)c2O1 1864016622 UINWDYFUUWWKFY-AREMUKBSSA-N 545.599 4.416 10 10 KICE CCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOc3ccccc31)=C(N)O2 1865033307 WOQVDSFLVSJHMI-SANMLTNESA-N 538.604 4.334 10 10 KICE Cc1cc(Br)c(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccc4c(c2)OCO4)C3=O)c(C(=O)O)c1 1865880000 KVUIHXUPYYLDQT-UHFFFAOYSA-N 537.322 4.233 10 10 KICE CCCC[C@H](NC(=O)c1cc(-c2cc(F)ccc2F)n(C)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868943469 YSMQPMDMIINLFA-DEOSSOPVSA-N 525.600 4.011 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NC3CCCCCC3)C(=O)N(Cc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 1873168543 ZBHFLGUZSUKVHP-UHFFFAOYSA-N 546.693 4.334 10 10 KICE Cc1ccc(C)c(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(Cc3ccc(S(N)(=O)=O)cc3)C2=O)c1 1873169590 QNFNAFBLNWCWPL-UHFFFAOYSA-N 568.699 4.428 10 10 KICE CCOc1ccccc1OCC(=O)Oc1cccc(C(=O)CCN2CCN(c3ccc(OC)cc3)CC2)c1 1874731548 ABSKBZFWEQAGFJ-UHFFFAOYSA-N 518.610 4.473 10 10 KICE Cc1ccc(NC=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1NC=C1C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 2297620302 BBLJDPRSGRIDOR-UHFFFAOYSA-N 619.421 4.459 10 10 KICE CC1(C)C=C(CN2CCN(c3ccc(F)cc3)CC2)c2cc(F)cc3c2N1C(=O)C3=C1SC(=S)NC1=O 2297632343 SOHNXWNCHHWKOQ-UHFFFAOYSA-N 538.645 4.168 10 10 KICE CCOC(=O)COc1cc(Br)c(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1OCC 2313560825 HXPRNRUAWGYQEG-UHFFFAOYSA-N 596.228 4.219 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(OC(C)=O)cc3)NC(=O)C(C)=Cc3ccccc3)CC2)cc1 2330087972 UHARERSVXPQAIK-PMERELPUSA-N 541.648 4.100 10 10 KICE COc1cc(C=C2C(=O)N(Cc3cccc(Cl)c3)N=C2C(F)(F)F)ccc1OCCN1CCOCC1 2332105245 LNNJXFWDAVKSMI-UHFFFAOYSA-N 523.939 4.404 10 10 KICE CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1 101346765 VJKODICNHAENDR-BKUYFWCQSA-N 541.431 4.375 10 10 KICE CCOC(=O)C1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N(CCc3ccccc3)C2=O)CC1 102563583 GQFIKSVSWPBEPZ-PTGBLXJZSA-N 562.717 4.226 10 10 KICE CCN(CC)c1ccc([C@@H]2C(c3ccc(OC)cc3)=C(O)C(=O)N2c2ccc(S(=O)(=O)NC(C)=O)cc2)cc1 526138812 DESNGOIJMFHAOC-HHHXNRCGSA-N 549.649 4.423 10 10 KICE CCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOc1ccccc1)=C(N)O2 1864019703 PIDQYNCXQZYJNK-XMMPIXPASA-N 547.011 4.389 10 10 KICE CN(C)c1ccc([C@H](CNC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)N2CCCCC2)cc1 1867795798 QHNFXNPXPHGBRF-MVSFAKPFSA-N 586.737 4.411 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCN(c5ccc([N+](=O)[O-])cc5)CC4)nc(C(C)C)n3)CC2)cc1 1867951500 OMFRUMGHKBCCIK-UHFFFAOYSA-N 517.634 4.170 10 10 KICE COc1ccc(/C=C(\C(=O)Nc2nc(N3CCN(c4ccc(OC)cc4)CC3)nn2C)c2ccccc2)cc1 1869969649 SKLWZQJGVUTIEE-MEFGMAGPSA-N 524.625 4.338 10 10 KICE COc1ccc(OCCN2C(=O)C(NCCOC(C)C)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873165677 TZRYNDGOLIGPPO-UHFFFAOYSA-N 517.626 4.276 10 10 KICE COc1ccccc1OCCOc1ccc([N+](=O)[O-])cc1C=C1C(=N)N2N=C(C(F)(F)F)SC2=NC1=O 2295914128 XOERNXPFFOFOMT-UHFFFAOYSA-N 535.460 4.243 10 10 KICE Cc1ccc(OCCOc2ccc(C=C3C(=N)N4N=C(CC(=O)N5CCCC5)SC4=NC3=O)cc2)cc1C 2297467787 SMNQOUSXVYDRMK-UHFFFAOYSA-N 531.638 4.393 10 10 KICE COc1ccc([C@H]2[C@@H](C(=O)N3CCN(c4ccc(OC)cc4)CC3)CC(=O)N2c2ccc(OC)cc2)cc1 4761092 PTGJENBUJKIRDF-YTMVLYRLSA-N 515.610 4.155 10 10 KICE CCCCn1c(NCCc2ccccc2)c(/C=C2\SC(=S)N(CCOC)C2=O)c(C)c(C#N)c1=O 40066924 HRYNCJZMMJHAEY-JWGURIENSA-N 510.685 4.331 10 10 KICE Cc1cccc(C)c1NC(=O)C(C#N)=c1sc(=Cc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c(=O)n1-c1ccccc1C(F)(F)F 254617156 KRWQRPMURCKTKU-UHFFFAOYSA-N 649.651 4.421 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)cc3OC)c(=O)n2[C@@H]1c1ccc(OCC)cc1 1081111531 NQTRVUSUQVIUMS-HHHXNRCGSA-N 549.693 4.052 10 10 KICE CCCC[C@@H](NC(=O)COc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862202598 OZSGBEGCNJWJTB-JOCHJYFZSA-N 508.446 4.405 10 10 KICE Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCc1ccccc1)=C(N)O2 1864008243 GNRQWLLOMPBVJG-SANMLTNESA-N 510.594 4.095 10 10 KICE CCCCOCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccccc2Cl)[C@@H]1c1ccc(O)c(O)c1 1864011722 KKLHGSZSYFIDLM-DEOSSOPVSA-N 541.048 4.322 10 10 KICE Cc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccccc1)=C(N)O2 1864012037 PSCBMVCWTVRDOM-VWLOTQADSA-N 531.012 4.358 10 10 KICE CCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(C)c1)=C(N)O2 1864018454 LIZCEDRVRWCDMB-RUZDIDTESA-N 528.584 4.364 10 10 KICE CCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccnc1)=C(N)O2 1864021553 PSNSGUSKSJUDJE-SANMLTNESA-N 533.588 4.405 10 10 KICE C[C@@H]1CCCN(C(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3Cc3ccc(F)cc3)[C@H]2c2ccc(O)c(O)c2)C1 1865033640 FLVXOBLZOHHGAM-JLTOFOAXSA-N 546.521 4.454 10 10 KICE C[C@@H](NC(=O)C[C@@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866719174 ARBNCWPSNRDJLH-UZUQRXQVSA-N 524.573 4.260 10 10 KICE CC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccc(OC)cc1)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867458227 ZSLUSFZHBDNEMD-ROJLCIKYSA-N 625.770 4.409 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)C[C@H](c3ccc(F)cc3)c3cccc(F)c3)CC2)cc1 1868719463 QTUBTKDDRHNJKR-CCLHPLFOSA-N 507.581 4.349 10 10 KICE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)CCCC(=O)c3ccc(Br)cc3)CC2)cc1 1868732924 VUQNEYPAZYLOOG-UHFFFAOYSA-N 530.463 4.054 10 10 KICE CC[C@@](C)(NC(=O)[C@@H](C)c1ccc(Br)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868833309 MIKAZCGKTACIAR-AVRWGWEMSA-N 502.453 4.195 10 10 KICE COc1ccc(N2CCN(c3nc(=NC(=O)c4ccc(C)cc4)n(-c4ccc(Cl)cc4)[nH]3)CC2)cc1 1869970471 KCBBYUNIOFAWFN-UHFFFAOYSA-N 503.006 4.239 10 10 KICE COCCOC(=O)COc1cn(Cc2ccco2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870905691 NQZBXHMFAQWKQU-UHFFFAOYSA-N 503.555 4.414 10 10 KICE Cc1cccn2c(=O)c(C=C3SC(=S)N(C4CCCC4)C3=O)c(N3CCN(c4ccccc4)CC3)nc12 2296337010 LEIPPVIWMVVTJW-UHFFFAOYSA-N 531.707 4.473 10 10 KICE COc1ccc(CNc2nc3ccccn3c(=O)c2C=C2SC(=S)N(Cc3ccco3)C2=O)cc1 2296716213 KNGOLDGHBUBGKN-UHFFFAOYSA-N 504.593 4.310 10 10 KICE CCCCN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3ccc(OC)cc3OC)c3ccccc32)SC1=S 2533040 KLZDQQLIDDUVRQ-QURGRASLSA-N 511.625 4.061 10 10 KICE COc1ccc(N2CCN(C(=O)CCc3c(C)nc4cc(-c5ccc(OC)cc5OC)nn4c3C)CC2)cc1 8598851 VGJFVMAGNWZOMJ-UHFFFAOYSA-N 529.641 4.320 10 10 KICE COc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3ncc(Cc4cccc([N+](=O)[O-])c4)s3)C2=O)cc1OC 103381143 CLPGTUFEYLICCW-RGVLZGJSSA-N 556.647 4.499 10 10 KICE Cc1ccc(C)c(OCCOc2ccc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2Cl)c1 104560055 QQIGGVOVDQGGLC-SVBOREBNSA-N 533.031 4.036 10 10 KICE CCOc1cc(C2=C(O)C(=O)N(c3ccccc3N3CCOCC3)[C@@H]2c2ccc(O)c(O)c2)ccc1OC 526499967 HWHJYWUSJLGCHM-HHHXNRCGSA-N 518.566 4.399 10 10 KICE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCc1c[nH]c3ccccc13)[C@H]2c1ccc(O)c(O)c1 1864021810 GYHQIGVOOMVRIM-FQEVSTJZSA-N 541.530 4.258 10 10 KICE CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(O)CC1)=C(N)O2 1865031078 YKPQHTKRSYJNKI-AREMUKBSSA-N 540.620 4.067 10 10 KICE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C)CC1)=C(N)O2 1865032316 AEQIDWAVFUQZEC-JOCHJYFZSA-N 509.006 4.452 10 10 KICE CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccco1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865315939 QPGXMRXHCDCTKT-MHZLTWQESA-N 539.636 4.388 10 10 KICE Cc1ccc([C@H](CC(=O)N[C@@H](CO)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C2CC2)cc1C 1866723870 KPLXKBXTVVAEMX-RSXGOPAZSA-N 510.590 4.078 10 10 KICE CC(C)(NC(=O)CCc1csc(-c2ccccn2)n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867053598 PCIKFQICXXCAIS-UHFFFAOYSA-N 524.602 4.447 10 10 KICE CC[C@](C)(NC(=O)c1cc(OC)cc(OC)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867396343 MQVWYUJORIPYPR-UHSQPCAPSA-N 510.679 4.012 10 10 KICE CC[C@H](C)N1C(=O)c2ccc(C(=O)N[C@@H](CCSC)C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O 1867591037 PAFUQZCBQIOSQE-ZRKWFTTGSA-N 607.821 4.342 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)Cc3nc(-c4ccc(Cl)cc4)oc3C)CC2)cc1 1868650223 DLJDYSWRRWUGHP-XMMPIXPASA-N 557.116 4.441 10 10 KICE CCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCC[C@H]2C(=O)NCc2ccccc2)n1 1869214998 ODNOITMGBDHSJC-SANMLTNESA-N 514.674 4.050 10 10 KICE COc1ccc(CCC(=O)Nc2nc(N3CCN(c4ccc(OC)cc4)CC3)nn2-c2ccc(C)cc2)cc1 1869969465 CUHPTGJARICCPQ-UHFFFAOYSA-N 526.641 4.491 10 10 KICE COc1ccc(N2CCN(Cc3cc(=O)c(OCCc4ccccc4)cn3Cc3ccncc3)CC2)cc1 1870690631 PZJDSKHEXQKEJT-UHFFFAOYSA-N 510.638 4.244 10 10 KICE CC(C)S(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OCCOc4ccccc4)c(Cl)c3)C(=N)N21 2297346026 XIFVSWSNRVGQOZ-UHFFFAOYSA-N 533.031 4.198 10 10 KICE CCC(CC)C1=NN2C(=N)C(=Cc3ccc(OCc4cc(=O)n5nc(C)sc5n4)cc3)C(=O)N=C2S1 2297350847 RVRPTDOPIBIQOW-UHFFFAOYSA-N 521.628 4.094 10 10 KICE CCC[C@H](NC(=O)C=Cc1ccc(Br)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2328570758 LMOBDZOSIHTRJI-QHCPKHFHSA-N 500.437 4.105 10 10 KICE CC(=O)Nc1ccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)cc2)cc1 20235204 SGAJUJUIXHEJRN-XUHCONPKSA-N 517.489 4.284 10 10 KICE O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cc(Br)c(O)c(I)c1 100454619 NAGCDYBCZFUMGG-WZUFQYTHSA-N 608.049 4.353 10 10 KICE CCCC[C@@H](NC(=O)CCc1ccc(Br)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861951321 BSUPQLCYQWWEQA-XMMPIXPASA-N 516.480 4.414 10 10 KICE C=Cc1ccccc1OCC(=O)N[C@@H](CCSC)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867267096 XMJGDXKFJXYPMZ-QHCPKHFHSA-N 514.603 4.360 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)[C@H](Cc3ccncc3)c3ccccc3)CC2)cc1 1868673446 NKMDKVXCWOOPQZ-VSGBNLITSA-N 532.710 4.003 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)C[C@@H](c3ccc(F)cc3)c3ccc(OC)c(OC)c3)CC2)cc1 1869020293 ZNULORDNQYKFHA-ZBLYBZFDSA-N 549.643 4.227 10 10 KICE COCCCn1cc(OCc2ccccc2Cl)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870338324 CPHDJBMLUUDXKP-UHFFFAOYSA-N 512.050 4.448 10 10 KICE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccc(C(C)C)cc4)cn3CCCO)CC2)cc1 1870471706 SWLTUZHERIPXGE-UHFFFAOYSA-N 505.659 4.264 10 10 KICE CN(C)CCn1cc(OCC(=O)NCc2ccco2)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870984072 SJESJIQOYLNZFP-UHFFFAOYSA-N 515.614 4.054 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)CCOc3ccccc3)CC2)cc1 1874643317 WGTSZINSFIZVBC-LJAQVGFWSA-N 526.637 4.022 10 10 KICE COc1ccc(N2CCN(C(=O)c3cc4c(NCCCCCCO)ncnc4n3Cc3ccccc3)CC2)cc1 1875219699 NFMMYGCDMODTJG-UHFFFAOYSA-N 542.684 4.415 10 10 KICE Cc1cc(C)c(N2C(=O)NC(=O)C(=Cc3c(C)c4cc5c6c(c4oc3=O)CCCN6CCC5)C2=O)c(C)c1 2296038199 NSQMXXHUGRDKHX-UHFFFAOYSA-N 511.578 4.392 10 10 KICE CC[C@H](C)Oc1c(I)cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1OC 103849769 FDIBJYGNCBKAJR-RGZVIEDOSA-N 554.381 4.448 10 10 KICE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCCOc4c(C)cccc4C)c(Cl)c3)C(=N)N21 104561634 ORIBRUSEADGWDJ-JPXJQDSKSA-N 547.058 4.426 10 10 KICE COc1ccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3-c3ccccc3Cl)[C@H]2c2ccc(O)c(O)c2)cc1 1864008679 PLSWTQBPKPSGCQ-XMMPIXPASA-N 532.984 4.265 10 10 KICE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1OC)=C(N)O2 1864009600 BUZCPYJSEZJSFI-RUZDIDTESA-N 526.593 4.256 10 10 KICE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H]1CCCO1)=C(N)O2 1864017409 LOVWHTASLCAPER-QVKFZJNVSA-N 545.423 4.143 10 10 KICE CCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(F)cc1)=C(N)O2 1864019998 UAEPTCRGJXILJZ-RUZDIDTESA-N 528.584 4.364 10 10 KICE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@H](NC(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)c3ccccc3)cccc21 1866871099 TZWZUUYASDFEEV-ONOMSOESSA-N 543.579 4.311 10 10 KICE COc1cc(C(=O)N[C@H](Cc2ccc(OC(C)=O)cc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc(OC)c1OC 1867335886 FMFWLDRBBMPPMX-JSOSNVBQSA-N 646.785 4.388 10 10 KICE COc1cccc(C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867385446 FCCAVVBDTXEPMP-IHLOFXLRSA-N 544.696 4.151 10 10 KICE CN(C)c1ccc([C@@H](CNC(=O)C(C)(C)NC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)N2CCCCC2)cc1 1867533401 FBETXWZRLOAUNN-GDLZYMKVSA-N 581.717 4.405 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)[C@H](C)c4ccccc4)n(-c4ccc(OC)cc4)n3)CC2)cc1 1869970757 WXGNCKXPXPSJRP-OAQYLSRUSA-N 512.614 4.353 10 10 KICE CCN(CC)CCn1cc(OCc2ccccc2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870468471 GQQAAGREGCYLID-UHFFFAOYSA-N 504.675 4.100 10 10 KICE CCOC(=O)N1CCC(N2C(=O)C(NCCOc3ccccc3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)CC1 1873164649 KYFJUSIHDGRNLB-UHFFFAOYSA-N 556.663 4.464 10 10 KICE COc1c(I)cc(I)cc1C=C1C(=O)NN(c2ccc(Br)cc2)C1=O 2297100823 RFXNIXZQKLUECD-UHFFFAOYSA-N 624.998 4.128 10 10 KICE CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C2SC(=S)N(CCCC(=O)O)C2=O)cc1 2314509549 VYCPAHBZXVHGAI-UHFFFAOYSA-N 509.609 4.424 10 10 KICE CCOCCCN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3cc(C)ccc3C)c3ccccc32)SC1=S 2533472 QBQCLKAVWIZJNV-GHVJWSGMSA-N 509.653 4.287 10 10 KICE CCOC(=O)CCN1C(=O)/C(=C\c2cc(Br)c(OCC(=O)N(CC)CC)c(OCC)c2)SC1=S 101741279 NGJSOKYCIDVNFJ-QGOAFFKASA-N 573.531 4.249 10 10 KICE CC1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3/SC(N4CCOCC4)=NC3=O)c2)CC1 110557439 UKYGPKJFCITZSN-LGUFXXKBSA-N 577.732 4.262 10 10 KICE CCOc1cc(/C=C2/SC(=S)N([C@@H](C(=O)OC)c3ccccc3)C2=O)cc(Br)c1OCC(=O)N1CCOCC1 150435708 NAOQIEYZYJLHOC-JDCXBEBJSA-N 635.558 4.201 10 10 KICE CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)cc1 205611276 ILDMAUKFQHONKH-ZZAWEDPDSA-N 513.660 4.301 10 10 KICE CCCCOCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2cccc(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1864011860 MBWPUTFODRCPEQ-XMMPIXPASA-N 541.048 4.322 10 10 KICE CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(F)cc1)=C(N)O2 1864018129 DANIYXHDLVIPKM-VWLOTQADSA-N 546.574 4.237 10 10 KICE CCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccccc1)=C(N)O2 1864020012 UDWQORUAWSAASE-AREMUKBSSA-N 524.621 4.267 10 10 KICE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)N2CCCC[C@@H]2C)[C@@H]3c2ccc(O)c(O)c2)c1 1865028346 SHNFGRGOOZOPBY-AVRWGWEMSA-N 502.615 4.363 10 10 KICE CCCc1nn(C)c2c1[C@@H](c1ccccc1OC(C)C)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865456154 AJVLVPKTJHLVFN-AREMUKBSSA-N 545.684 4.212 10 10 KICE COc1c(Br)c(C(=O)NCC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c(Br)c(OC)c1OC 1867433957 QESWMYNWOHGVBX-IBGZPJMESA-N 656.416 4.377 10 10 KICE CC[C@@H](NC(=O)c1cc(Cl)ccc1OC)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867609522 LIWZMTGPBPBOAJ-DNQXCXABSA-N 501.071 4.266 10 10 KICE CSCC[C@H](NC(=O)c1ccc(N(C)C)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867889044 NRGOEHLRYVCQLM-RRPNLBNLSA-N 525.763 4.014 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccc(S(N)(=O)=O)cc3)C(=O)N([C@@H]3CCCC[C@@H]3C)C2=O)cc1 1873164721 PAGNZIQQDIZJCY-AFMDSPMNSA-N 546.693 4.190 10 10 KICE CCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CCC)c2NCc2ccc3c(c2)OCO3)SC1=S 40066805 WFZSFMAOHVLOQZ-NHDPSOOVSA-N 510.641 4.390 10 10 KICE Cc1ccc(Nc2ccc(O)c3c2C(=O)c2c(O)ccc(Nc4ccc(C)cc4S(=O)(=O)O)c2C3=O)c(S(=O)(=O)O)c1 95870055 DOXXOFOESSOQBZ-UHFFFAOYSA-N 610.622 4.471 10 10 KICE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C[C@H]4CCCO4)C3=O)c(N3CCN(c4cccc(Cl)c4)CC3)nc12 103867893 GVVLWNDSOMFLEK-BQNPTPDXSA-N 582.151 4.363 10 10 KICE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N[C@H](C)c1ccccc1)[C@@H]2c1ccc(O)c(O)c1 1864022659 PRIRWFZGALQEGZ-FZKQIMNGSA-N 502.493 4.295 10 10 KICE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)N2CCC(C)CC2)[C@@H]3c2ccc(O)c(O)c2)cc1 1865031851 PKUYVFIPLJSOHP-HXUWFJFHSA-N 544.530 4.264 10 10 KICE CCCc1nn(CCC)c2c1[C@H](c1ccc(F)cc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865517873 LZZGYTJIQUCDFK-VWLOTQADSA-N 533.648 4.437 10 10 KICE O=C(N[C@@H](Cc1ccc(F)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(C2CC2)on1 1867150641 PFGDUQVRKPYDHS-QHCPKHFHSA-N 523.520 4.446 10 10 KICE CC(=O)Oc1ccc(C[C@H](NC(=O)c2cc(C3CC3)on2)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 1867153015 JVEFTKIXVSTOLW-VWLOTQADSA-N 563.566 4.233 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3ccc(F)cc3)C(=O)N(CCCCN(C)C)C2=O)cc1 1873162169 IVFBIJSHZQXYCP-UHFFFAOYSA-N 502.634 4.487 10 10 KICE CCN(CC)CCN1C(=O)C(NCc2ccc(OC)c(OC)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873168729 HORKEIZFMTXRKA-UHFFFAOYSA-N 530.669 4.323 10 10 KICE COC(=O)c1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C3CCN(C)CC3)C2=O)cc1 1873427630 SODBIYGEQBWMNV-UHFFFAOYSA-N 512.610 4.167 10 10 KICE O=C(CCC(=O)N1CCN(c2cccc(Cl)c2)CC1)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874017736 UUTJYMYCSQRGOY-UHFFFAOYSA-N 501.970 4.183 10 10 KICE Oc1c(F)cccc1Cn1nc(I)c(I)c1C(F)(F)F 2079199510 FATCPTVCCOGFPL-UHFFFAOYSA-N 511.982 4.004 10 10 KICE Cc1ccsc1CN(C(=O)CN1C(=O)C(=Cc2ccc(Cl)cc2)SC1=S)[C@H]1CCS(=O)(=O)C1 2314600272 WLLNJPKRGZINBW-KRWDZBQOSA-N 541.141 4.127 10 10 KICE COc1ccc(N2CCN(C(=O)c3nn(-c4ccc(C)cc4)c(=O)c4c3c3ccccc3n4C)CC2)cc1 9682031 YELQQJJJBMJRKN-UHFFFAOYSA-N 507.594 4.157 10 10 KICE C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)CCN2C(=O)/C(=C/c3ccccc3)SC2=S)[C@@H]2CCS(=O)(=O)C2)o1 101911292 LAIABXAHIRYFJZ-FFKUPYOGSA-N 544.720 4.210 10 10 KICE CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc(Br)c1OCC(=O)N1CCOCC1 150399344 DSTAKTJBQCFGLA-DEDYPNTBSA-N 640.965 4.285 10 10 KICE C[C@@H]1C[C@H]1c1ccc(CN(C(=O)CCN2C(=O)/C(=C\c3ccccc3)SC2=S)[C@@H]2CCS(=O)(=O)C2)o1 1615296199 LAIABXAHIRYFJZ-PRKHQUGWSA-N 544.720 4.210 10 10 KICE CCCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C)CC1)=C(N)O2 1865030921 UUYVSJLMCRPRKU-XMMPIXPASA-N 520.605 4.387 10 10 KICE CN(C)c1ccc([C@H](NC(=O)c2cc(O)c3cc(I)cc(F)c3n2)c2nccn2C)cc1 1866529047 NAOIJPRKLCAULG-FQEVSTJZSA-N 545.356 4.003 10 10 KICE CC[C@@](C)(NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccn1)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867477220 OPGSZDBCFWXKNV-LWQYYNMXSA-N 610.759 4.186 10 10 KICE Cc1noc(C)c1COc1cn(CCOCCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871013350 AFQABIXICFOCHL-UHFFFAOYSA-N 504.587 4.397 10 10 KICE Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(C(=O)O)cc1 2313559820 VODOPTMYCMVYMI-UHFFFAOYSA-N 508.328 4.221 10 10 KICE CCOC(=O)c1ccc(N2NC(=O)/C(=C\c3cc(Br)cc(Br)c3OCC)C2=O)cc1 2907290 MKMIMCORGHKYJD-MHWRWJLKSA-N 538.192 4.248 10 10 KICE O=C1N=C(N2CCCCC2)S/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 110556641 RLAXFGXZLRMXAN-NCELDCMTSA-N 563.705 4.016 10 10 KICE CCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1F)=C(N)O2 1864019549 LUMFLOUKPIPCGO-XMMPIXPASA-N 514.557 4.055 10 10 KICE CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1ccc(F)cc1 1865525107 RRJUUSHLGVNFPY-XMMPIXPASA-N 519.621 4.047 10 10 KICE CN(C)[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1 1866698721 QQLWSYBTCDWOEW-YTMVLYRLSA-N 531.612 4.431 10 10 KICE CCOc1ccc(C(=O)N[C@@H](CCSC)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867541692 ISBSWQPZMQTUPL-RRPNLBNLSA-N 526.747 4.346 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)/C=C/c4cccc(F)c4)n(-c4ccc(OC)cc4)n3)CC2)cc1 1869969297 ABHAORJQRNNFCJ-GIDUJCDVSA-N 528.588 4.402 10 10 KICE CCN(CC)CCN1C(=O)C(NCCc2ccc(OC)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873166285 JYUYEMMUMJTIIR-UHFFFAOYSA-N 514.670 4.357 10 10 KICE CN1C(=O)C(=C2SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)c2cc(Br)ccc21 2314765037 SDFVKYQXCYCQKT-UHFFFAOYSA-N 553.257 4.104 10 10 KICE COCCN1C(=O)c2ccccc2[C@@H](C(=O)N2CCN(c3ccc(OC)cc3)CC2)[C@H]1c1ccc(F)cc1 9780706 GVPFBQJSHGEAEX-VSGBNLITSA-N 517.601 4.110 10 10 KICE CCC1=NN2C(=N)/C(=C\c3ccc(OCCOc4ccc(NC(C)=O)cc4)c(OC)c3)C(=O)N=C2S1 15935728 CYYBFRVLNWODRO-LMEPTBFJSA-N 507.572 4.141 10 10 KICE COc1ccc(N2CCN([C@H](NC(=O)c3cc4ccccc4oc3=O)C(Cl)(Cl)Cl)CC2)cc1 39916778 AWARZPHGTOGRQD-QFIPXVFZSA-N 510.805 4.050 10 10 KICE CCOc1cc(/C=C2\C(=N)N3C(SC)=NSC3=NC2=O)ccc1OCCOc1ccccc1OC 96450483 KDGVHLFIVRFCFD-AGDGNBHRSA-N 512.613 4.491 10 10 KICE Cc1ccc2nc(N3CCN(c4ccc(F)cc4)CC3)c(/C=C3\SC(=S)N(CCCCCC(=O)O)C3=O)c(=O)n2c1 109952884 MPBLIECKJHTIEW-QJOMJCCJSA-N 595.722 4.315 10 10 KICE CCCn1c(N2CCN(Cc3ccccc3)CC2)c(/C=C2\SC(=S)N(CCCOCC)C2=O)c(C)c(C#N)c1=O 110525230 OGHNLZZMXMSLTK-XHPQRKPJSA-N 579.792 4.388 10 10 KICE O=c1[nH]ncn1-c1ccc(N2CCN(c3ccc(OC[C@H]4CO[C@@](Cn5cncn5)(c5ccc(Cl)cc5Cl)O4)cc3)CC2)cc1 163318413 FBAPZOQKYAPBHI-JTSJOTPCSA-N 649.539 4.133 10 10 KICE CNc1c(I)cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1I 164442978 NCHSVSHGJOPLFJ-SDQBBNPISA-N 652.024 4.366 10 10 KICE CCOc1ccc(NC(=O)CCCN2C(=O)/C(=C\c3cc(OC)c(O)c(OC)c3)SC2=S)cc1 210721292 OEXCHQUMMUEOPP-XSFVSMFZSA-N 502.614 4.428 10 10 KICE COc1ccc(/C=C/C(=O)N2CCC(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)CC2)cc1OC 1860595458 LGMOSKKRSLCTIP-XYOKQWHBSA-N 524.573 4.370 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1 1862282973 GOVWMTOFEPBTBU-NDEPHWFRSA-N 515.654 4.388 10 10 KICE CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(C)c1)=C(N)O2 1864018207 FQXMIMPPSPEYKI-VWLOTQADSA-N 528.584 4.364 10 10 KICE C[C@@H]1CCCN(C(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3-c3ccccc3)[C@@H]2c2ccc(O)c(O)c2)C1 1865031944 RVRSYHRJVNCEQW-KUHUBIRLSA-N 514.504 4.255 10 10 KICE CCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)C1CCCCC1)=C(N)O2 1865032725 JEWWLPSOUJVLFU-XMMPIXPASA-N 518.614 4.340 10 10 KICE O=C(Cc1ccc2c(c1)OCCO2)N[C@H](Cc1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866606320 DTBJMWYWLBUOSZ-AREMUKBSSA-N 546.579 4.142 10 10 KICE Cc1cc(C(=O)NC(C)(C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)nn1-c1ccccc1F 1867173412 OXQMWZORFFENTD-UHFFFAOYSA-N 510.525 4.242 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)/C(C)=C/c3cccc(Cl)c3)CC2)cc1 1868750344 LFFBCTLIRFRBJV-VSRFVYNTSA-N 502.080 4.339 10 10 KICE COc1ccc(N2CCN(Cc3cc(=O)c(OCC(=O)Nc4ccccc4)cn3CCC(C)C)CC2)cc1 1870758588 LNANELFCZHCBIF-UHFFFAOYSA-N 518.658 4.243 10 10 KICE O=C1c2c(O)cc(O)cc2O[C@@H](c2ccc(O)cc2)[C@H]1c1c(O)cc(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc12 26187316 GFWPWSNIXRDQJC-YTMVLYRLSA-N 556.479 4.499 10 10 KICE biogenic,in-vitro O=C1/C(=C\c2c(N3CCN(c4ccccc4F)CC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccco1 100880600 PWVAHDMWECDVDU-CJLVFECKSA-N 547.637 4.155 10 10 KICE COCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)SC1=S 101013722 GTLQZVJKTAWERK-CNEWXIHYSA-N 598.772 4.185 10 10 KICE O=C(CN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1sc2c(c1C(=O)NCc1cccnc1)CCC2 101281863 ZUFXPUMBMUVWEX-NDENLUEZSA-N 534.688 4.402 10 10 KICE Cc1c(/C=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c(N2C[C@@H](C)C[C@@H](C)C2)n(C)c(=O)c1C#N 110519620 PHPSOIGHQXZPCD-CYLBCFLHSA-N 588.759 4.251 10 10 KICE CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1OCc1ccc2c(c1)OCO2 1084556232 KIBPOPGAXJIASF-WQRHYEAKSA-N 520.538 4.363 10 10 KICE CCCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)c1ccc3c(c1)CCCC3)=C(N)O2 1864013700 ZCQVDUODLISPDD-FYSMJZIKSA-N 502.615 4.235 10 10 KICE CCOCCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1864014594 ZBKVIGJELYPGEC-DEOSSOPVSA-N 526.593 4.188 10 10 KICE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN(CC)CC)=C(N)O2 1864020462 ZKGVPOZRQDTQDI-AREMUKBSSA-N 547.700 4.065 10 10 KICE CCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)c1ccc3c(c1)CCCC3)=C(N)O2 1864022101 SVYKUKCGJWNCKL-VOIUYBSRSA-N 502.615 4.327 10 10 KICE Cc1ccc(CCNC(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3CC(C)C)[C@H]2c2ccc(O)c(O)c2)cc1 1864022957 SMMRNYUFRKNLKP-HXUWFJFHSA-N 530.547 4.331 10 10 KICE CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(N3CCCCC3)CC1)=C(N)O2 1865032668 HXJOEZOPBMTPPX-AREMUKBSSA-N 543.668 4.017 10 10 KICE CCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866605257 PIDOVDQBGZQEGN-SANMLTNESA-N 575.577 4.388 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)c3sc(C)nc3C(C)C)CC2)cc1 1868970170 IUOLMTGVDIGEEE-DEOSSOPVSA-N 524.662 4.413 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCc5ccc(S(N)(=O)=O)cc5C4)nc(-c4ccccc4Cl)n3)CC2)cc1 1869237487 WTNSYANXXNAZHD-UHFFFAOYSA-N 591.137 4.342 10 10 KICE COCCOC(=O)c1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCc3cnc[nH]3)C2=O)cc1 1873426387 VWLYDVIZLAMWLH-UHFFFAOYSA-N 553.619 4.055 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)Cc3ccc(C)cc3)CC2)cc1 1874642815 NJVQAMJNHKCBEU-GDLZYMKVSA-N 510.638 4.104 10 10 KICE Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccco4)C3=O)c(N3CCN(c4ccccc4F)CC3)nc12 2296930558 VMJLATCVACYXNJ-UHFFFAOYSA-N 561.664 4.463 10 10 KICE COc1ccc(CCN2C(=O)/C(=C\c3c(N4CCC(C)CC4)nc4ccccn4c3=O)SC2=S)cc1 35074765 OWHUAHAPDQDXFK-OQKWZONESA-N 520.680 4.383 10 10 KICE CCn1c(/C=C2/C(=O)Nc3ccc(Br)cc32)nc2ccc(I)cc2c1=O 100023051 KISDYYZZVZDCTM-UKTHLTGXSA-N 522.140 4.276 10 10 KICE Cc1cc(N2C(=O)NC(=O)/C(=C\c3c(C)nn(-c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3C)C2=O)ccc1Br 103811890 JHZZVCOMQSPDJX-LICLKQGHSA-N 569.328 4.043 10 10 KICE COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(OCC(=O)Nc4ccccc4)c(OC)c3)SC2=S)cc1 108627924 BZASUIHTRFMCRO-HZHRSRAPSA-N 549.630 4.268 10 10 KICE COC(=O)c1ccccc1-n1c(C)cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c1C 1084476556 PEGLHJOUQMYZLZ-MOSHPQCFSA-N 522.355 4.310 10 10 KICE CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOc1ccccc1)=C(N)O2 1864010853 PPZPOUMMSJDYEE-SANMLTNESA-N 540.620 4.434 10 10 KICE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCC(C)C)=C(N)O2 1864012583 DLSMPAXWRZDRNL-QHCPKHFHSA-N 508.594 4.291 10 10 KICE C[C@@H](NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2C)[C@H]1c1ccc(O)c(O)c1)c1ccc2c(c1)CCCC2 1864014851 DXYLXALWEUMSDG-ZUOKHONESA-N 528.531 4.301 10 10 KICE Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C(=O)NC2CC2)[C@H]3c2ccc(O)c(O)c2)cc1 1864016348 MXJPIMOKMJDXSJ-DEOSSOPVSA-N 508.578 4.291 10 10 KICE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCC1)=C(N)O2 1865029092 FUXPNHZZGYZLDB-DEOSSOPVSA-N 502.615 4.311 10 10 KICE CC[C@@](C)(NC(=O)CCS(=O)(=O)c1cccc(Cl)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866887250 JGYJPDBSWOOXAR-MUUNZHRXSA-N 553.036 4.203 10 10 KICE CCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N(CC(=O)OCC)Cc2ccccc2)n1 1867975132 KQJYAZHMUNXEHW-UHFFFAOYSA-N 503.647 4.334 10 10 KICE CCOc1ccc(-c2nc(N3CCC(N(C)C)CC3)cc(N3CCN(c4ccc(OC)cc4)CC3)n2)cc1 1867997065 VUNKWFSOIWNFCX-UHFFFAOYSA-N 516.690 4.408 10 10 KICE Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccccc4)C3=O)c(NCCCn3ccnc3)nc12 2053498822 SXGXBAPZZKZZGK-UHFFFAOYSA-N 516.652 4.103 10 10 KICE COc1ccc(CN2C(=O)C(=Cc3c(N4CCCC[C@@H]4C)nc4ccccn4c3=O)SC2=S)cc1 2314414255 UPIHUKBLHCVQQQ-KRWDZBQOSA-N 506.653 4.483 10 10 KICE CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)cc1 33353454 HALYNTKEVFPDKW-ZGOFBEGVSA-N 572.643 4.123 10 10 KICE Cc1cccc(C)c1NC(=O)CN1C(=O)/C(=C2/SC(=S)N(C[C@@H]3CCCO3)C2=O)c2ccccc21 39983409 MNNBQARFECTKIA-BIBRTQAFSA-N 507.637 4.039 10 10 KICE CCOC(=O)C1=NN(c2ccccc2)C(=O)[C@@H]1[C@]1([C@H]2C(=O)N(c3ccccc3)N=C2C)C(=O)N(c2ccccc2)N=C1C 100998692 SBQAGAMSLOTOIN-VHNUMCGNSA-N 576.613 4.017 10 10 KICE CN1C(=O)/C(=C2\SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)c2cc(Br)ccc21 101745034 SDFVKYQXCYCQKT-PFONDFGASA-N 553.257 4.104 10 10 KICE NS(=O)(=O)c1ccc(NC(=O)CCCCCN2C(=O)/C(=C/c3cc(Cl)ccc3O)SC2=S)cc1 101969321 QQQAILJTGOFFNZ-UYRXBGFRSA-N 540.088 4.093 10 10 KICE COc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C2(C(=O)NCc3ccccc3)CCN(C(C)=O)CC2)cc1 102647037 SEAKMHIJYKCADO-UHFFFAOYSA-N 542.680 4.101 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)c3cccc4ccccc34)CC2)cc1 1862240254 UNUDNDSVDNRKAS-GDLZYMKVSA-N 509.606 4.244 10 10 KICE CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN(CC)CC)=C(N)O2 1864013248 UDBNMNVYLAONHS-AREMUKBSSA-N 547.700 4.228 10 10 KICE CCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(OC)cc2)[C@@H]1c1ccc(O)c(O)c1 1864014519 XBRIEFAPHBZDMG-QHCPKHFHSA-N 512.566 4.180 10 10 KICE CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCc1ccco1)[C@H]2c1ccc(O)c(O)c1 1864016873 ZHXGWWSFTVVDIJ-QFIPXVFZSA-N 500.555 4.221 10 10 KICE O=C(CCc1ccco1)N[C@H](Cc1ccc(O)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866576736 XEFHNWPJGIZDIK-RUZDIDTESA-N 508.530 4.059 10 10 KICE COc1ccc(CCCC(=O)NC(C)(C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1OC 1866786946 GTFHQRPPDISOAO-UHFFFAOYSA-N 514.578 4.335 10 10 KICE C[C@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867618576 NHUIRVQKWZYFGW-JHOBJCJYSA-N 581.717 4.011 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCCCc3nc4ccccc4[nH]3)C(=O)N(C[C@H]3CCCO3)C2=O)cc1 1873168597 BEFMFZGFRRDACW-XMMPIXPASA-N 523.637 4.452 10 10 KICE CCOC(=O)CN1C(=O)SC(=Cc2cc(C)n(-c3cccc(I)c3)c2C)C1=O 2294010897 QHMWUZNVSBKHMT-UHFFFAOYSA-N 510.353 4.298 10 10 KICE COc1ccc(CN2C(=O)C(=C3C(=O)N(CC(=O)NCCc4ccccc4)c4ccccc43)SC2=S)cc1 2296713703 SKTBCIPGMOIXEF-UHFFFAOYSA-N 543.670 4.172 10 10 KICE Cc1ccc(-n2nc(C)c(NC=C3C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)c2C)cc1C 2313548025 JDYMYIGLOPYKGP-UHFFFAOYSA-N 508.376 4.447 10 10 KICE COc1cc(C=C2C(=O)N(Cc3cccc(F)c3)N=C2c2ccccc2)ccc1OCCN1CCOCC1 2332105241 LFMSAKTXFFNUCJ-UHFFFAOYSA-N 515.585 4.375 10 10 KICE CCCN1C(=O)COc2ccc(-c3csc(NS(=O)(=O)c4ccc5c(c4)CCCN5C(C)=O)n3)cc21 11858003 ZUIGPURNXDHJNZ-UHFFFAOYSA-N 526.640 4.045 10 10 KICE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2Br)C(=O)NCCCC(=O)O)cc1 33414210 WSXIOUOCUMJBOS-PGMHBOJBSA-N 502.409 4.047 10 10 KICE CCN(CC)C(=O)COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)cc1 40940016 GNOIZAKUMVLDKR-CPNJWEJPSA-N 504.033 4.133 10 10 KICE O=C1/C(=C\c2c(NCCc3ccccc3)nc3ccccn3c2=O)SC(=S)N1Cc1ccc2c(c1)OCO2 100886188 BNPKOYGDCQFKFJ-HZHRSRAPSA-N 542.642 4.479 10 10 KICE Cc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCC1)=C(N)O2 1864008144 DMIIGZRJNCPQEG-NRFANRHFSA-N 525.403 4.108 10 10 KICE CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN(C)C)=C(N)O2 1864011614 WRQPYZFDPYNRHP-HSZRJFAPSA-N 540.064 4.042 10 10 KICE CCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC(C)C)=C(N)O2 1864019380 JUSKWYQLANUQKH-QHCPKHFHSA-N 541.048 4.184 10 10 KICE CCCOc1cccc([C@@H]2C(C(=O)N3CCN(c4ccc(OC)cc4)CC3)=C(N)Oc3c2c(C)nn3CCC)c1 1865263857 XXMOAFRLOGUIIW-MHZLTWQESA-N 545.684 4.442 10 10 KICE COc1cc(/C=C2\C(=O)N(c3cccc(Cl)c3)N=C2C(F)(F)F)ccc1OCCN1CCOCC1 1865665083 AKOUZNRJGCUNKB-UYRXBGFRSA-N 509.912 4.408 10 10 KICE COC(=O)c1c(NC(=O)[C@@H]2C[C@H](O)CN2C(=O)c2ccccc2)sc(C)c1-c1ccc(Br)cc1 1866203569 HGMOSEWLFPOYPP-OALUTQOASA-N 543.439 4.487 10 10 KICE CN(C)c1ccc([C@H](CNC(=O)c2cc(=O)c3cc(OC(F)(F)F)ccc3[nH]2)N2CCCCC2)cc1 1866547983 SBWJOASOZZYDAU-QHCPKHFHSA-N 502.537 4.450 10 10 KICE CCOc1ccc(-c2nc(N3CCN(C(=O)CCN4CCCC4)CC3)cc(N3CCN(c4ccc(OC)cc4)CC3)n2)cc1 1869329807 FMOVWVIBHUKZBE-UHFFFAOYSA-N 599.780 4.012 10 10 KICE CC(=O)NCCn1cc(OCC(=O)OCCC(C)C)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1871031308 RZUSBEZIEIKKLM-UHFFFAOYSA-N 520.630 4.308 10 10 KICE COc1ccc(N2CCN(c3nc(=NCc4ccc(C)cc4)[nH]c(=Nc4ccc(C)cc4C)[nH]3)CC2)cc1 1871603394 BPCZTJNAFALMBA-UHFFFAOYSA-N 509.658 4.332 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccccc3S(C)(=O)=O)C(=O)N(CCOC(C)C)C2=O)cc1 1873420783 WELSROXIBQBBOF-UHFFFAOYSA-N 521.639 4.115 10 10 KICE COc1ccc(N2CCN(C(=O)c3cc4c(NC[C@@H](c5ccc(O)cc5)N(C)C)ncnc4n3CC(C)C)CC2)cc1 1875209205 FISKXXPQVLBTPH-LJAQVGFWSA-N 571.726 4.479 10 10 KICE COc1cc(C=C2C(=O)N(c3cccc(Cl)c3)N=C2C(F)(F)F)ccc1OCCN1CCOCC1 2332105124 AKOUZNRJGCUNKB-UHFFFAOYSA-N 509.912 4.408 10 10 KICE Cc1c(/C=C2/SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)c(N2CCCCCC2)n(C)c(=O)c1C#N 33459703 PARAKMNZHTZLNI-WSDLNYQXSA-N 522.652 4.076 10 10 KICE Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccc(F)cc4)C3=O)c(NC[C@@H]3CCCO3)nc12 33803771 LYPSGJISBCJJGE-HRVJUDJTSA-N 510.616 4.134 10 10 KICE COc1ccc(CCN2C(=O)/C(=C/c3ccc(-c4ccc(S(N)(=O)=O)cc4)o3)SC2=S)cc1 34990124 VGGGKIAFEHQZQY-STZFKDTASA-N 500.623 4.047 10 10 KICE CC[C@H](C)N1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2N2CCN(c3ccccc3)CC2)SC1=S 39989859 JKVQQDDEDHXCRH-PAJXCOJRSA-N 521.712 4.375 10 10 KICE O=C(CSc1nnc(NC2=NC(=O)/C(=C3/C(=O)Nc4ccccc43)S2)s1)Nc1ccc(Cl)cc1 102371629 RIDHIBUCFFDSOV-NXVVXOECSA-N 529.028 4.327 10 10 KICE CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br 103765814 SFEIRYWYNMILNK-KEQCBNTKSA-N 614.562 4.424 10 10 KICE Cc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(Cc1ccccc1)C(C)C)=C(N)O2 1865027483 ZAIZWKUTGMDGKF-VWLOTQADSA-N 511.582 4.119 10 10 KICE CCCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C)C1)=C(N)O2 1865030377 ISFCEPCXMRUIHI-MZNJEOGPSA-N 520.605 4.387 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)Cc4cccs4)n(-c4ccc(Cl)cc4)n3)CC2)cc1 1869970539 NJDNVDZMAURALQ-UHFFFAOYSA-N 509.035 4.499 10 10 KICE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccccc4F)cn3C[C@@H]3CCCO3)CC2)cc1 1870346075 YSLLWGWKMWIQHM-SANMLTNESA-N 507.606 4.076 10 10 KICE COc1cc(C=C2C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)ccc1OCc1cccc(C)c1 2296056367 MHKFCXFRLVNZSS-UHFFFAOYSA-N 517.611 4.214 10 10 KICE CC[C@@H](CO)Nc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(Cc2ccccc2Cl)C1=O 2297461135 FVGVMWPIAMWAGZ-INIZCTEOSA-N 515.060 4.241 10 10 KICE CCOC(=O)c1ccc(NC(=O)[C@H](C)N2C(=O)/C(=C/c3ccc(OC)c(OC)c3)SC2=S)cc1 15047060 SGLBUDCBAAFNRA-DABDWFRDSA-N 500.598 4.109 10 10 KICE CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1ccc(OCC)cc1 100689704 LUALQZHHEXBQBW-RWDZFFNTSA-N 553.684 4.400 10 10 KICE O=C(CN1C(=O)/C(=C/c2cc(Br)cc(Br)c2O)SC1=S)Nc1ccc(C(=O)O)cc1 101965770 XRCOBASWHZNSBP-NSIKDUERSA-N 572.256 4.455 10 10 KICE Cc1ccc(S(=O)(=O)N2C[C@@H](C)N(S(=O)(=O)c3ccc(C)cc3)[C@H]2c2ccc(N(C)C)cc2)cc1 248051946 NLVRURDWWRNKGZ-RLWLMLJZSA-N 513.685 4.152 10 10 KICE Cc1nc2ccc(NC(=O)CN3CCOCCOc4ccc(N5CCOCC5)cc4Cc4cccc(c4)C3)cc2[nH]1 643589559 WOURMJJMVIJOTA-UHFFFAOYSA-N 555.679 4.148 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](CSCc3ccccc3)NC(=O)c3cccc(F)c3)CC2)cc1 1862070014 GXASCUBIBQHPFO-AREMUKBSSA-N 507.631 4.215 10 10 KICE CCOCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1864017824 WCTQJPHQLBULGC-NRFANRHFSA-N 547.439 4.390 10 10 KICE Cc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)C1CCCCC1)=C(N)O2 1865026196 JVDFGKMVPYPKGL-DEOSSOPVSA-N 506.578 4.276 10 10 KICE COC(=O)c1c(NC(=O)CNC(=O)c2ccc(N)cc2)sc(C)c1-c1ccc(Br)cc1 1866102038 WHAJTTZRKMOCKO-UHFFFAOYSA-N 502.390 4.223 10 10 KICE CC[C@](C)(NC(=O)[C@@H](c1ccc(OC)c(OC)c1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868860525 QROXTTMVWWQQTE-UHSQPCAPSA-N 511.663 4.086 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCO[C@@H](c5cccnc5)C4)nc(Cc4ccccc4)n3)CC2)cc1 1869077137 BERCIRZNDCBHTI-MUUNZHRXSA-N 522.653 4.376 10 10 KICE CCN=c1nc(Nc2ccc(OCc3ccccc3)cc2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871635953 KOBBSHYKWKIBKL-UHFFFAOYSA-N 511.630 4.383 10 10 KICE CCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCCc3ccc(OC)c(OC)c3)ncnc21 1875203992 VHDYHAAWKAEMOO-UHFFFAOYSA-N 558.683 4.484 10 10 KICE CCc1ccc(N2C(=O)C(=Cc3cc(Br)c(OCC(=O)O)c(Br)c3)C(=O)NC2=S)cc1 2294204812 FQBFSJRMDLWGPX-UHFFFAOYSA-N 568.243 4.069 10 10 KICE CCCCn1c(N2CCOCC2)c(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c(C)c(C#N)c1=O 39990301 OAUJPSJTUCVGMA-QJOMJCCJSA-N 522.696 4.109 10 10 KICE CCCCCCN1C(=O)/C(=C\c2c(CCN(C)C(=S)NCc3ccccc3)cc3c(c2OC)OCO3)C(=O)N=C1O 103088695 GYJDDDZDXRZZHL-QJOMJCCJSA-N 580.707 4.219 10 10 KICE CCN(CC)c1ccc([C@@H]2C(c3cccc(OC)c3)=C(O)C(=O)N2c2ccc(S(=O)(=O)NC(C)=O)cc2)cc1 526138822 DNMXLFGVAOSCAL-HHHXNRCGSA-N 549.649 4.423 10 10 KICE Nc1ccc(CNC(=O)c2cc(I)cc(I)c2I)cc1 700714631 FAQXLRMKDMBGDG-UHFFFAOYSA-N 603.967 4.013 10 10 KICE NC1=C(C(=O)NCc2ccccc2F)[C@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3ccccn3)c2O1 1864015910 GKQHZRWUKRMXDH-RUZDIDTESA-N 549.562 4.496 10 10 KICE CCCC[C@@H](NC(=O)CCc1ncc2ccccn12)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866895734 ZKQYRLQFVDMHDE-XMMPIXPASA-N 508.578 4.356 10 10 KICE COc1cn(CCc2ccc(S(N)(=O)=O)cc2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870999203 DALBSZQHIKUUDI-UHFFFAOYSA-N 504.612 4.103 10 10 KICE COc1ccc([N+](=O)[O-])cc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCc2cnc[nH]2)C1=O 1873426461 ZCDRIPXPUUZLPJ-UHFFFAOYSA-N 526.553 4.169 10 10 KICE Cc1cccn2c(=O)c(C=C3SC(=S)N(C4CCCCC4)C3=O)c(NCCCn3ccnc3)nc12 2296697918 ZPZYDFWCUVVVFO-UHFFFAOYSA-N 508.673 4.236 10 10 KICE CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4cccc(C(=O)O)c4)c(OC)c3)C2=O)cc1 2313565150 VHKBZHKUCUFKPW-UHFFFAOYSA-N 500.507 4.201 10 10 KICE Cc1ccc2nc(NCC(C)C)c(C=C3SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(=O)n2c1 2314408625 SWHPXEBIPJERAU-UHFFFAOYSA-N 560.705 4.274 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)C=Cc3ccc(Cl)cc3)CC2)cc1 2328567511 YGLNWPCNDQDGOA-MHZLTWQESA-N 504.030 4.438 10 10 KICE CCCCN1C(=O)/C(=C\c2c(N3CCN(c4ccccc4F)CC3)nc3ccccn3c2=O)SC1=S 39728177 JQQJSAILSUAHMK-HEHNFIMWSA-N 523.659 4.162 10 10 KICE COc1ccc(CN2C(=O)/C(=C\c3c(N4C[C@@H](C)O[C@H](C)C4)nc4ccc(C)cn4c3=O)SC2=S)cc1 100851119 JYXGYIAFLYDUJL-HFRLZFEPSA-N 536.679 4.027 10 10 KICE COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)N1CCCCC1 101744654 VCAKKIQPHIPLQP-KGENOOAVSA-N 546.070 4.286 10 10 KICE CCN(CC)c1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(CCc2ccc(OC)c(OC)c2)C1=O 102449152 QSYCXXZWMQJHGJ-CJLVFECKSA-N 538.695 4.310 10 10 KICE O=C(O)[C@H](Cc1ccc(O)cc1)N1C(=O)/C(=C\c2cc(Cl)cc(Br)c2O)SC1=S 1858592816 YDIVBGCOJVSQNV-UUINEXAVSA-N 514.806 4.411 10 10 KICE CCc1sc(NC(=O)C(=O)NCc2cccnc2)c(C(=O)OC)c1-c1ccc(Br)cc1 1860763258 BEXPACZZDCKJTD-UHFFFAOYSA-N 502.390 4.177 10 10 KICE COc1ccc(CCNC(=O)C2=C(N)Oc3c(c(C)nn3-c3cccc(Cl)c3)[C@@H]2c2ccc(O)c(O)c2)cc1 1864009083 YXNPWYZOGHOOOD-VWLOTQADSA-N 547.011 4.307 10 10 KICE Cc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCCC1)=C(N)O2 1864011292 FWPAZOAQPYASTD-DEOSSOPVSA-N 506.578 4.324 10 10 KICE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCCCN(CC)CC)[C@@H]2c1ccc(O)c(O)c1 1864016010 HEWUMDVAMWCADR-XMMPIXPASA-N 533.673 4.304 10 10 KICE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC(C)C)=C(N)O2 1864017861 XIAFJDAGBXBCAJ-LJQANCHMSA-N 503.386 4.372 10 10 KICE CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1C)=C(N)O2 1865035311 QLBLSAPPLHYIFW-MWTRTKDXSA-N 506.578 4.140 10 10 KICE CCCOc1ccc([C@@H]2C(C(=O)N3CCN(c4ccc(OC)cc4)CC3)=C(N)Oc3c2c(CCC)nn3C)cc1 1865268799 GKZLXBNWBDKKPI-SANMLTNESA-N 545.684 4.213 10 10 KICE CN(C)c1ccc([C@@H](CNC(=O)c2cc(=O)c3cc(OC(F)(F)F)ccc3[nH]2)N2CCCCC2)cc1 1866547982 SBWJOASOZZYDAU-HSZRJFAPSA-N 502.537 4.450 10 10 KICE COc1cc(OC)cc(C(=O)N[C@H](Cc2ccc(OC(C)=O)cc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867394270 KRMGXNPGRTZOQZ-SAIUNTKASA-N 616.759 4.380 10 10 KICE CCOC(=O)c1ccc(CN2C(=O)C(NCCCN(C)C)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873165902 VYSKJIGRMIOQMA-UHFFFAOYSA-N 528.653 4.092 10 10 KICE Cc1ccc2nc(N3CCN(c4ccccc4)CC3)c(C=C3SC(=S)N(CC(C)C)C3=O)c(=O)n2c1 2296323497 KNJYBCRTSHMMMT-UHFFFAOYSA-N 519.696 4.187 10 10 KICE Cc1cccn2c(=O)c(C=C3SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(N3CCCCC3)nc12 2314413728 GBGGHCMAKRWBRF-UHFFFAOYSA-N 572.716 4.197 10 10 KICE CCOC(=O)[C@H](c1ccccc1)N1C(=O)C(=Cc2ccc(OCC(=O)N(CC)CC)c(OC)c2)SC1=S 2314769603 SMKJIXNGWOCUFQ-DEOSSOPVSA-N 542.679 4.448 10 10 KICE COc1cc(OC)c(CN2C(=O)c3ccccc3C2=O)cc1/C=C1/C(=O)N=C(S)N(c2ccc(C)cc2)C1=O 102549538 UESXRTPKKXHHLM-XKZIYDEJSA-N 541.585 4.051 10 10 KICE CCCn1c(N2CCC(Cc3ccccc3)CC2)c(/C=C2\SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)c(C)c(C#N)c1=O 110525058 KPMFHAAJHGMYJH-ZVSVJSTQSA-N 610.827 4.286 10 10 KICE CC[C@@H](NC(=O)c1ccc2nc(Cc3ccccc3)[nH]c2c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861894759 AJEUZYAHFHHKJT-RUZDIDTESA-N 511.626 4.020 10 10 KICE Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccn1)=C(N)O2 1864007941 XVAIMFKABSBCST-QFIPXVFZSA-N 538.391 4.305 10 10 KICE CCCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1864015461 RSHZALYCXVHNGD-SFHVURJKSA-N 502.493 4.303 10 10 KICE COc1ccc([C@H](C)NC(=O)C2=C(N)Oc3c(c(-c4ccccc4)nn3C)[C@H]2c2ccc(O)c(O)c2)cc1 1864016332 MLSZRYOEUIQIER-QMHKHESXSA-N 512.566 4.079 10 10 KICE CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN(CC)CC)=C(N)O2 1864017123 FWVKWEFPWDHZPQ-VWLOTQADSA-N 533.673 4.087 10 10 KICE CN(C)c1ccc([C@@H](CNC(=O)C(C)(C)NC(=O)c2cc([N+](=O)[O-])ccc2Cl)N2CCCCC2)cc1 1867901798 MRTSHGBCUZPCKM-HSZRJFAPSA-N 516.042 4.166 10 10 KICE COCCc1nc(N2CCC(Cc3ccccc3)CC2)cc(N2CCN(c3ccc(OC)cc3)CC2)n1 1867954820 GNVQIPOUZCTDQW-UHFFFAOYSA-N 501.675 4.460 10 10 KICE CC1CCN(C(=O)COc2cn(CCN(C)C)c(CNc3ccc(Nc4ccccc4)cc3)cc2=O)CC1 1870928813 VFJAWZIPAZLVKU-UHFFFAOYSA-N 517.674 4.403 10 10 KICE COCCCN1C(=O)C(Nc2cc([N+](=O)[O-])ccc2OC)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873420359 MDPQFPNMYODZHJ-UHFFFAOYSA-N 504.543 4.239 10 10 KICE CCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCCc3ccc(OC)cc3)ncnc21 1875204015 VXLPJWBKNAALKL-UHFFFAOYSA-N 528.657 4.476 10 10 KICE O=C1C(=Cc2c(N3CCN(Cc4ccccc4)CC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccc2c(c1)OCO2 2296716928 GEOKHSCHUUMNRL-UHFFFAOYSA-N 597.722 4.147 10 10 KICE CC[C@@H](Oc1ccc(C=C2SC(=S)N(NC(=O)c3ccccc3Br)C2=O)cc1OC)C(=O)O 2314931725 HZRNPPAEYBNGFN-OAHLLOKOSA-N 551.440 4.246 10 10 KICE CCOC(=O)C1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N(C3CCCCC3)C2=O)CC1 102711366 XCWNKKGHDAZAJX-LTGZKZEYSA-N 540.711 4.316 10 10 KICE CCOc1cccc(C2=C(O)C(=O)N(c3cc(C(=O)OC)cc(C(=O)OC)c3)[C@@H]2c2ccc(O)c(O)c2)c1 526287045 OQTJIUBSRLCONL-XMMPIXPASA-N 519.506 4.127 10 10 KICE O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1cccc(NC(=O)c2cc3ccccc3oc2=O)n1 1860562901 GVFOTDSUWNLIML-UHFFFAOYSA-N 515.481 4.468 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)/C=C/c3cccc(Cl)c3)CC2)cc1 1862139063 DEZVLWHHCCTDCD-ZOYLIWTNSA-N 504.030 4.438 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)[C@H](C)Oc3ccc(Cl)cc3)c3ccccc3)CC2)cc1 1862216812 CMFZUGDAXQEPHK-FNZWTVRRSA-N 508.018 4.322 10 10 KICE COc1cccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867385161 YNDPQZXVPPMRFP-XZWHSSHBSA-N 528.697 4.446 10 10 KICE CN(C)c1ccc([C@@H](CNC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)N2CCCCC2)cc1 1867698521 ZJXCPASDDJNAEN-JHOUSYSJSA-N 682.287 4.111 10 10 KICE CCOc1ccc(-c2nc(N3CCC(CO)CC3)cc(N3CCN(c4ccc(OC)cc4)CC3)n2)cc1 1867997198 ZOIRGNFABUCAQO-UHFFFAOYSA-N 503.647 4.086 10 10 KICE CCNC(=O)COc1cn(CCCn2ccnc2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870972986 BMEKVPCPVXGZLB-UHFFFAOYSA-N 500.603 4.006 10 10 KICE CCOc1cc(C=C2C(=N)N3C(c4ccccc4)=CSC3=NC2=O)cc(Cl)c1OS(C)(=O)=O 2293261804 NJJANUJSNYTNOS-UHFFFAOYSA-N 503.989 4.381 10 10 KICE COc1ccc(CNc2nc3c(C)cccn3c(=O)c2C=C2SC(=S)N(C[C@H]3CCCO3)C2=O)cc1 2296710705 SEFIWUBQMLZJNF-LJQANCHMSA-N 522.652 4.004 10 10 KICE Cc1ccc(CN2C(=O)C(=Cc3c(NCCCn4ccnc4)nc4ccccn4c3=O)SC2=S)cc1 2296845302 XWHKFHLCWBOIOP-UHFFFAOYSA-N 516.652 4.103 10 10 KICE CCOc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC)cc(Cl)c1OCc1ccccc1 2297345308 KYOGCROJFIEMSR-UHFFFAOYSA-N 533.031 4.329 10 10 KICE C[C@@H]1C[C@H]1c1ccc(CN(C(=O)CN2C(=O)C(=Cc3ccc(Cl)cc3)SC2=S)[C@@H]2CCS(=O)(=O)C2)o1 2314828820 LRELHISQNTZOOJ-XFQXTVEOSA-N 565.138 4.474 10 10 KICE Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC(C)C)=C(N)O2 1864007936 XUEULKFOPBTMNY-NRFANRHFSA-N 533.412 4.135 10 10 KICE CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)c1ccccc1)=C(N)O2 1864013607 YFYIOZUDPPBTBJ-MZNJEOGPSA-N 511.582 4.203 10 10 KICE CCN(CCc1ccncc1)C(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1 1865028756 ZTFBJRCNFBFEDK-HHHXNRCGSA-N 539.636 4.140 10 10 KICE O=C(C[C@H](c1ccccc1)c1ccc(F)c(F)c1)N[C@@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867123563 ZBTWGVPEHBBTML-KCWPFWIISA-N 554.549 4.378 10 10 KICE CCCCCCN=c1nc(Nc2ccc(NC(C)=O)cc2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871481923 VKTDWGDSMRJLKI-UHFFFAOYSA-N 518.666 4.323 10 10 KICE CCN(CC)CCN1C(=O)C(NCc2ccccc2OC)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873165369 LMFPXCPTRLRBCG-UHFFFAOYSA-N 500.643 4.314 10 10 KICE COCCCN1C(=O)C(Nc2ccc(C(=O)OCCOC)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873420160 KOBCXFABMJVDAB-UHFFFAOYSA-N 531.609 4.126 10 10 KICE COC(=O)c1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCN(C)C)C2=O)c1 1873421316 RAUGOJVFNLSSKV-UHFFFAOYSA-N 500.599 4.024 10 10 KICE N=C1C(=Cc2ccc(-c3ccc(Br)cc3)o2)C(=O)N=C2SC(CC(=O)N3CCCC3)=NN12 2296070805 NQLZOZPFYKQJCX-UHFFFAOYSA-N 512.389 4.341 10 10 KICE CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3cc(Br)cc(Br)c3O)C2=O)c1 2313556596 FDXRXYKFYDJULS-UHFFFAOYSA-N 554.191 4.381 10 10 KICE COc1ccc(CCN2C(=O)/C(=C/c3c(N4CCCC4)nc4ccc(C)cn4c3=O)SC2=S)cc1 33473965 UEIHXYYYZJGVAR-QNGOZBTKSA-N 506.653 4.056 10 10 KICE Cc1ccc(S(=O)(=O)Nc2ccc(N3CCN(Cc4ccc(N(C)C)cc4)CC3)nc2)cc1Cl 34682164 YKZSTNHJILXCNF-UHFFFAOYSA-N 500.068 4.232 10 10 KICE CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 103518932 BGJJGAREPBTVQO-RYOBIWAXSA-N 563.720 4.442 10 10 KICE COc1ccc(N2C(=O)/C(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C(=O)NC2=S)c(OC)c1 1084059173 HMZIDOZTTABQLE-YBEGLDIGSA-N 513.915 4.357 10 10 KICE CCCCOCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2cc(C)ccc2C)[C@@H]1c1ccc(O)c(O)c1 1864010623 ACCKTXHWMDAXPZ-SANMLTNESA-N 534.657 4.285 10 10 KICE CC[C@@H](C)NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1 1864015852 XBAUMEMYZLZUMZ-AUUYWEPGSA-N 516.520 4.279 10 10 KICE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC(C)C)=C(N)O2 1864017403 LKPJJWVFNOBEPI-QFIPXVFZSA-N 527.021 4.125 10 10 KICE CCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccnc1)=C(N)O2 1864021551 PSNSGUSKSJUDJE-AREMUKBSSA-N 533.588 4.405 10 10 KICE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1cccc(C)c1)[C@H]2c1ccc(O)c(O)c1 1864023241 WHYOOGFCSLDRFX-SFHVURJKSA-N 502.493 4.043 10 10 KICE CCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](C)C1)=C(N)O2 1865033201 UMULQASFJPJPLC-NYHFZMIOSA-N 509.006 4.452 10 10 KICE COCCCN1C(=O)c2ccc(C(=O)N[C@@H](C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)c3ccccc3)cc2C1=O 1867516513 AJKYLLPTFDZDDI-ROJLCIKYSA-N 625.770 4.200 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCNC(=O)[C@H]4c4ccc(F)cc4)nc(Cc4ccccc4)n3)CC2)cc1 1869080255 VVKHUKDGGGAATO-WJOKGBTCSA-N 552.654 4.219 10 10 KICE CCCCCn1cc(OCC(=O)N2CCC(C)CC2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870495085 IDTGGBJFRXXNME-UHFFFAOYSA-N 524.706 4.007 10 10 KICE COc1ccc(NC(=O)COc2cn(CCO)c(CNc3ccc(Nc4ccccc4)cc3)cc2=O)cc1 1871180324 YIDAXKZHACNOSW-UHFFFAOYSA-N 514.582 4.222 10 10 KICE COc1ccc(OCCNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCCN(C)C)C2=O)cc1 1873165012 CZBLWBKROZNTMV-UHFFFAOYSA-N 530.669 4.193 10 10 KICE NC(=O)c1cc(-c2ccc([S@]([O])(=O)=C3CCC(Nc4ccc(C(F)(F)F)cn4)CC3)cc2)ccn1 2086896649 HXDKLTZWXVGDJT-UHFFFAOYSA-N 503.526 4.477 10 10 KICE Cc1c(/C=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c(N2C[C@H](C)C[C@@H](C)C2)n(C)c(=O)c1C#N 137682608 PHPSOIGHQXZPCD-WNGFQLFOSA-N 588.759 4.251 10 10 KICE Cc1c(F)cccc1NC(=O)CN1CCOCCOc2ccc(N3CCOCC3)cc2Cc2cccc(c2)C1 643589722 ZXKGCURRFWIELH-UHFFFAOYSA-N 533.644 4.411 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)/C=C/c3ccc(F)cc3)CC2)cc1 1861951112 SRFYKRHALQWYIV-GFUFCRMCSA-N 505.565 4.063 10 10 KICE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCOc3ccccc31)[C@H]2c1ccc(O)c(O)c1 1865032190 XNSDRHIHVVKGSR-DEOSSOPVSA-N 524.577 4.492 10 10 KICE CCCc1nn(CC)c2c1[C@@H](c1ccc(CC)cc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865498002 FALRRVFSOJCLOJ-AREMUKBSSA-N 529.685 4.470 10 10 KICE COc1cc(C(=O)N[C@@H](Cc2ccc(OC(C)=O)cc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c([N+](=O)[O-])cc1OC 1867806454 KGKNDOQZIAMMJM-SMCANUKXSA-N 661.756 4.288 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)C[C@H](c3cccc(Br)c3)c3nccs3)CC2)cc1 1868893773 IXLXOYWGYYKBIH-WZONZLPQSA-N 557.514 4.290 10 10 KICE COc1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCCN(C)C)C2=O)cc1 1873166373 NRUDODLPZLPSLU-UHFFFAOYSA-N 500.643 4.314 10 10 KICE COc1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCn3ccnc3)C2=O)cc1OC 1873168878 NVUNHIIYNPLIID-UHFFFAOYSA-N 539.636 4.268 10 10 KICE CC1=NN(c2ccc(Br)cc2C)C(=O)C1=Cc1c(O)nc(O)n(-c2ccc(Cl)cc2)c1=O 2297533514 HYPSXSLGNWWVRX-UHFFFAOYSA-N 515.751 4.174 10 10 KICE CCN1CCN(c2nc3ccc(C)cn3c(=O)c2/C=C2/SC(=S)N(Cc3ccccc3Cl)C2=O)CC1 100886468 FVVFYCZRUPULAU-KGENOOAVSA-N 540.114 4.200 10 10 KICE COc1cccc(OCCOc2c(OC)cc(/C=C3\C(=N)N4C(SC)=NSC4=NC3=O)cc2OC)c1 104485077 SYYCTXRZYIPKLL-ZMXGXFJXSA-N 528.612 4.110 10 10 KICE CCc1sc(NC(=O)C(=O)NCCCOC(C)C)c(C(=O)OC)c1-c1ccc(Br)cc1 1860763900 QRNHATXRTFTCBA-UHFFFAOYSA-N 511.438 4.396 10 10 KICE Cc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(Cl)c1)=C(N)O2 1864011085 DMXFGNDESULWLD-DEOSSOPVSA-N 534.975 4.455 10 10 KICE CCCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOCC)=C(N)O2 1864013152 QZIDQNRUINIALC-HSZRJFAPSA-N 541.048 4.186 10 10 KICE CCCCOCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2ccc(F)cc2)[C@@H]1c1ccc(O)c(O)c1 1864019403 XZILPAGYZULCEE-DEOSSOPVSA-N 538.620 4.062 10 10 KICE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOCC1)=C(N)O2 1865029387 MDNCNAJIFGQQND-OAQYLSRUSA-N 545.423 4.096 10 10 KICE Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)N2CCCCC2)[C@H]3c2ccc(O)c(O)c2)cc1 1865031992 SORJNSWHXAOIFZ-IBGZPJMESA-N 514.504 4.318 10 10 KICE CCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOc3ccccc31)=C(N)O2 1865032712 IYKVNUNNJBPGID-RUZDIDTESA-N 524.577 4.025 10 10 KICE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4-c4ccccc4)[C@H]3c3cccs3)CC2)cc1 1865317034 LGFKUBJLCKXHND-RUZDIDTESA-N 527.650 4.294 10 10 KICE CC(=O)Oc1ccc(C[C@@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867810663 TXABVMKXYFJYIV-BHYZAODMSA-N 660.728 4.487 10 10 KICE CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCN3CCc4c(Cl)cccc4[C@H]3C2)n1 1869138559 QUYLPOWMZUYECH-AREMUKBSSA-N 519.093 4.447 10 10 KICE COc1ccc(CCNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C[C@H]3CCCO3)C2=O)cc1OC 1873166315 LHQWRBAJOBAHPI-RUZDIDTESA-N 529.637 4.203 10 10 KICE COc1ccc(N2CCN(C(=O)c3cc4c(N5CCC(C)CC5)ncnc4n3Cc3ccco3)CC2)cc1 1873563599 UOHKIIBIIAPCQC-UHFFFAOYSA-N 514.630 4.280 10 10 KICE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)N3CCCCCC3)n4Cc3ccco3)CC2)cc1 1873563873 WXRRALNAUVAXHB-UHFFFAOYSA-N 514.630 4.424 10 10 KICE CC[C@@H](C)N1C(=O)C(=Cc2c(N3CCN(c4ccc(OC)cc4)CC3)nc3c(C)cccn3c2=O)SC1=S 2296705137 VOBJOWIPUJZAKQ-LJQANCHMSA-N 549.722 4.338 10 10 KICE Cc1cccn2c(=O)c(C=C3SC(=S)N(CCCC(=O)O)C3=O)c(N3CCN(c4cccc(Cl)c4)CC3)nc12 2296717940 SSOQKMWYWWLWJQ-UHFFFAOYSA-N 584.123 4.049 10 10 KICE COC(=O)c1ccc(C)c(-c2ccc(C=C3C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)o2)c1 2313560762 FYCLIVBJBUIZKO-UHFFFAOYSA-N 509.312 4.471 10 10 KICE COC(=O)c1cc(NC(C)=C2C(=O)N(c3ccc(OC)cc3)N=C2c2ccc(OC)cc2)cc(C(=O)OC)c1 2313683644 MRPQAKVTCUVNGJ-UHFFFAOYSA-N 529.549 4.414 10 10 KICE CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)ccc1O[C@@H](CC)C(=O)O 2314933469 BPZUNEIZDBQPOC-KRWDZBQOSA-N 500.598 4.182 10 10 KICE COC(=O)N[C@@H](CCSC)C(=O)Oc1ccc(Nc2nc3c(s2)C(=O)c2ccccc2C3=O)cc1 6716363 SFDSXIZFOOBDMC-KRWDZBQOSA-N 511.581 4.045 10 10 KICE CCn1c(N2CCCCC2)c(/C=C2\SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)c(C)c(C#N)c1=O 110520881 MSQUXRIAQPFEFS-JLPGSUDCSA-N 552.722 4.500 10 10 KICE CCCn1c(N2CCN(CC)CC2)c(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)c(C)c(C#N)c1=O 110524569 FBDZKHNAXRGBFK-JLPGSUDCSA-N 535.739 4.290 10 10 KICE CC(C)(C)C(=O)OC[C@H](N=[N+]=[N-])[C@@H]1O[C@@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C 137238998 JLKYKJIAGQRDOG-TXTZMMAHSA-N 541.642 4.485 10 10 KICE in-vitro COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(\C)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 205948582 IHVUMDPSJSZPAG-LFVJCYFKSA-N 562.633 4.144 10 10 KICE COc1ccc([C@H](C)NC(=O)C2=C(N)Oc3c(c(C)nn3-c3ccccc3)[C@H]2c2ccc(O)c(O)c2)cc1 1864007275 JLNZMGHAMOLBDH-IVCQMTBJSA-N 512.566 4.173 10 10 KICE CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1ccc(Cl)cc1 1865084193 LYXKBCSNMWVWBK-XMMPIXPASA-N 522.049 4.307 10 10 KICE COC(=O)c1c(NC(=O)[C@@H](CCS(C)(=O)=O)N2C(=O)c3ccccc3C2=O)sc(C)c1-c1ccc(C)c(C)c1 1865987916 CHDLXIXCMAHVDH-OAQYLSRUSA-N 568.673 4.165 10 10 KICE COc1cccc(OCCOc2ccc([N+](=O)[O-])cc2C=C2C(=N)N3N=C(C(C)C)SC3=NC2=O)c1 2297307197 VMPZCJIFBZKPIN-UHFFFAOYSA-N 509.544 4.336 10 10 KICE CC(C)Oc1c(I)cc(I)cc1C=C1C(=O)NC(=O)N(CCc2ccccc2)C1=O 2313548595 ZGLPOCZLRFQZPU-UHFFFAOYSA-N 630.220 4.388 10 10 KICE COc1cc(/C=C2\C(=O)N(c3ccccc3C)C(=S)N=C2O)cc(I)c1OC 33707580 HWHIVKDZLMMRLW-JYRVWZFOSA-N 508.337 4.288 10 10 KICE Cc1noc(/C=C\c2ccccc2F)c1S(=O)(=O)N1CCC(C(=O)NCc2ccc(N(C)C)cc2)CC1 96839445 ODRCIPXTVMFDKF-RAXLEYEMSA-N 526.634 4.076 10 10 KICE COc1ccc2c(c1)N(C)C(=c1sc(=C3C(=O)N(c4ccccc4)N=C3C)n(-c3ccc(C)cc3)c1=O)S2 254375703 FOVFQQKUHAGIMH-UHFFFAOYSA-N 540.670 4.097 10 10 KICE COc1cc(CNCCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(Br)c1O 1860711361 QRMDEBQNQXQMSL-UHFFFAOYSA-N 509.356 4.057 10 10 KICE Cc1ccc(CCNC(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3CC(C)C)[C@@H]2c2ccc(O)c(O)c2)cc1 1864022956 SMMRNYUFRKNLKP-FQEVSTJZSA-N 530.547 4.331 10 10 KICE CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C)C1)=C(N)O2 1865028912 AUEDAFJEOKSPNW-HOYKHHGWSA-N 502.615 4.248 10 10 KICE CCCN(CCC)C(=O)C1=C(N)Oc2c(c(CC)nn2Cc2ccccc2F)[C@@H]1c1ccc(O)c(O)c1 1865035617 XNYNARWYSYIBSU-QHCPKHFHSA-N 508.594 4.387 10 10 KICE CCc1ccc(COc2cn(CCCOC)c(CN3CCN(c4ccc(OC)cc4)CC3)cc2=O)cc1 1870464000 PNESRLJEFOHZDH-UHFFFAOYSA-N 505.659 4.357 10 10 KICE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccccc4C)cn3C[C@@H]3CCCO3)CC2)cc1 1870626659 GREBZLJLISFTOU-NDEPHWFRSA-N 503.643 4.246 10 10 KICE COc1ccc(N2CCN(CCC(=O)c3cccc(OC(=O)c4ccc(OC)c([N+](=O)[O-])c4)c3)CC2)cc1 1874737373 WMLVQCYYYWERKM-UHFFFAOYSA-N 519.554 4.226 10 10 KICE Cc1c(NC(=O)CCN2C(=O)C(=Cc3ccc(Cl)cc3)SC2=S)c(=O)n(-c2ccccc2)n1C 2297233431 KRNNWQAOZWIDBP-UHFFFAOYSA-N 513.044 4.368 10 10 KICE CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(I)cc(I)c3OCC)C2=O)cc1 2313548525 XEBUOIGSVFLCNF-UHFFFAOYSA-N 632.192 4.360 10 10 KICE CCOC(=O)C1CCN(c2nc3ccccc3cc2C=C2SC(=S)N(C[C@@H]3CCCO3)C2=O)CC1 2314648346 XAFAPFYATUNORD-FQEVSTJZSA-N 511.669 4.395 10 10 KICE COc1cc(C=C2SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)cc(Br)c1OCC(=O)N1CCOCC1 2314764514 FLENJQJIWXUSQG-UHFFFAOYSA-N 671.389 4.004 10 10 KICE CN(Cc1ccccc1)c1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O 102824530 FJALRRFPNDFTJK-OEAKJJBVSA-N 542.642 4.461 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 254435209 ZZNPKHCQPMNMAA-HHHXNRCGSA-N 588.642 4.041 10 10 KICE Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cccs1)=C(N)O2 1864008133 CVRPUXUTVOMXEG-QFIPXVFZSA-N 523.014 4.360 10 10 KICE CCCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2-c2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1 1864021740 GEBIILBMWDTZHW-DEOSSOPVSA-N 526.593 4.488 10 10 KICE CC(C)c1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)n1 1868228264 LBXMRRLEMMDYKV-UHFFFAOYSA-N 553.644 4.329 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)C[C@H](c3ccccc3)c3ccc(F)c(F)c3)CC2)cc1 1868950529 OULHGPUIXPTMEA-CJFMBICVSA-N 507.581 4.349 10 10 KICE CCc1nc(N2CCC(Oc3ccc(OC)cc3)CC2)cc(N2CCN(c3ccc(OC)cc3)CC2)n1 1869130869 SPSGZWJYBHIOMF-UHFFFAOYSA-N 503.647 4.431 10 10 KICE CCOC(=O)c1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C[C@@H]3CCCO3)C2=O)cc1 1873165978 YZKGSXFLQMJZMJ-SANMLTNESA-N 527.621 4.320 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCCCc3nc4ccccc4[nH]3)C(=O)N(C3CCN(C)CC3)C2=O)cc1 1873168636 CQRMMSKSJLYRBN-UHFFFAOYSA-N 536.680 4.367 10 10 KICE COc1ccc(CCN2C(=O)C(=Cc3c(N4C[C@H](C)O[C@H](C)C4)nc4c(C)cccn4c3=O)SC2=S)cc1 2296938406 KHRJEXUVGLTWEH-KDURUIRLSA-N 550.706 4.069 10 10 KICE Cc1ccc(OCCOc2ccc(C=C3C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)C(C)C)cc2)c(C)c1 2297345787 BUXKTFZQYQSKNW-UHFFFAOYSA-N 526.640 4.161 10 10 KICE Cc1ccc(-n2c(C)cc(C=C3C(=O)N(C)c4ccc(S(=O)(=O)N5CCOCC5)cc43)c2C)cc1C 2297508823 OBARBTCCVHBVPV-UHFFFAOYSA-N 505.640 4.249 10 10 KICE CCOC(=O)Cc1csc(NC(=O)CSC2=NC(=Cc3ccc(N(C)C)cc3)C(=O)N2c2ccccc2)n1 2297710790 ZSASRGUTSSZTHX-UHFFFAOYSA-N 549.678 4.430 10 10 KICE C[C@@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C3SC(=S)N([C@@H]4CCS(=O)(=O)C4)C3=O)c2)C1 2314479215 DZLLBKLAWWBQKP-HYBUGGRVSA-N 642.850 4.348 10 10 KICE O=S(=O)(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cc(Br)ccc1O)N2 14461236 OACYRSBTFXIYPG-AEFRCRGFSA-N 505.434 4.439 10 10 KICE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCCCOc4cc(C)cc(C)c4)cc3)C(=N)N21 101395498 FPPVOKFRVAQQLD-HTWVIFJXSA-N 526.640 4.163 10 10 KICE CNc1c(I)cc(/C=C2/C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1I 101677629 DOGSEOOQFSCNJH-AUWJEWJLSA-N 601.182 4.221 10 10 KICE CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(I)cc(I)c3OCC)C2=O)cc1 1084301144 XEBUOIGSVFLCNF-YBEGLDIGSA-N 632.192 4.360 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)c3cc4ccccc4n3C)CC2)cc1 1862073197 GSKWPNNRYDGEIY-AREMUKBSSA-N 514.601 4.016 10 10 KICE Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCCCc1ccccc1)[C@H]2c1ccc(O)c(O)c1 1864016432 PBEHEPSHVBGBGO-DEOSSOPVSA-N 510.594 4.332 10 10 KICE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCC(N3CCCCC3)CC1)[C@H]2c1ccc(O)c(O)c1 1865031645 LIFHDCBGXIAEDU-VWLOTQADSA-N 543.668 4.153 10 10 KICE CC[C@H](NC(=O)Cc1nc(-c2ccc3c(c2)OCO3)oc1C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867191745 AVNBBPCZAPGIOV-NRFANRHFSA-N 551.555 4.230 10 10 KICE CSCC[C@@H](NC(=O)c1ccc(F)c(F)c1F)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867812656 BLFSEJSWNMHHHU-PKTZIBPZSA-N 536.664 4.365 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)Cc3nc(-c4cccc(OC)c4)oc3C)CC2)cc1 1868654606 XXKHXOUTFYTKOI-PMERELPUSA-N 568.674 4.286 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccccc3Br)C(=O)N(CCN3CCOCC3)C2=O)cc1 1873425500 BILWAIQDCJNCNS-UHFFFAOYSA-N 549.469 4.381 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@H](C)c3ccccc3)CC2)cc1 1874643102 SCKWMIRMWXQQAY-ZTOMLWHTSA-N 510.638 4.356 10 10 KICE CCCCn1c(N2CCN(CC)CC2)c(/C=C2\SC(=S)N(C3CCCC3)C2=O)c(C)c(C#N)c1=O 33812685 UIWTUBXBZWYRMN-JWGURIENSA-N 513.733 4.114 10 10 KICE Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1/C=C1/C(=O)NC(=O)N([C@@H](C)C23CC4CC(CC(C4)C2)C3)C1=O 34258825 RDFLIWZJKKGHBZ-HRVGGHDHSA-N 517.586 4.464 10 10 KICE COc1ccc(/C=C2/SC(=S)N(CCCC(=O)N3CCN(c4ccccc4)CC3)C2=O)cc1OC 35638804 BITQQHFQXYSCLV-PTGBLXJZSA-N 511.669 4.034 10 10 KICE CCN1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N(Cc3ccccc3Cl)C2=O)CC1 100886465 NWQKBUGNRYMRBA-RCCKNPSSSA-N 540.114 4.200 10 10 KICE CN1CCN(c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)cc2[N+](=O)[O-])CC1 103813121 YMHKYRYOUHMOTE-CVKSISIWSA-N 569.662 4.481 10 10 KICE C[C@@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3\SC(=S)N(CCS(=O)(=O)O)C3=O)c2)C1 150452118 CUEYZYDKVHIIID-VKINRBECSA-N 632.811 4.049 10 10 KICE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(OCc2ccc(C(=O)O)cc2)cc1 1083997296 DGLCEFHIIRNOAX-BKUYFWCQSA-N 521.323 4.393 10 10 KICE COc1ccc([C@H](C)NC(=O)C2=C(N)Oc3c(c(C)nn3Cc3ccccc3F)[C@@H]2c2ccc(O)c(O)c2)cc1 1864009200 CCSGRJSYSVCQSN-QMTYFTJSSA-N 544.583 4.371 10 10 KICE CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccco1)=C(N)O2 1864013323 VUSRIHVVDNKCOI-QHCPKHFHSA-N 518.545 4.038 10 10 KICE CCCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)c1ccc3c(c1)CCCC3)=C(N)O2 1864013705 ZCQVDUODLISPDD-VOIUYBSRSA-N 502.615 4.235 10 10 KICE CCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)c1ccccc1)=C(N)O2 1864017802 VOWGHPBBCDHSKT-CRICUBBOSA-N 526.593 4.427 10 10 KICE COc1ccc(-c2nn(C)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)NCCc2ccc(Cl)cc2)=C(N)O3)cc1 1864021667 FEZXUBGSDXGYJP-QHCPKHFHSA-N 547.011 4.214 10 10 KICE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4-c4cccc(Cl)c4)[C@H]3c3ccc[nH]3)CC2)cc1 1865594536 XZRSPVMNIXQHDT-RUZDIDTESA-N 545.043 4.214 10 10 KICE CC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867746607 BOSYOKJMHBVOGZ-VMPREFPWSA-N 618.244 4.432 10 10 KICE CCC[C@H](NC(=O)CCCC(=O)c1ccc(Br)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868736484 XLXNYRHWVWDQCM-DEOSSOPVSA-N 544.490 4.444 10 10 KICE CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCN(c3ccc(S(=O)(=O)NC4CCCCC4)cc3)CC2)n1 1869129015 ROGGVWTYSIILDH-UHFFFAOYSA-N 619.836 4.312 10 10 KICE COc1ccc(N2CCN(c3nc(=NCCC4=CCCCC4)[nH]c(=Nc4cccc(OC)c4)[nH]3)CC2)cc1 1871669165 RVANFDRQNYASAP-UHFFFAOYSA-N 515.662 4.105 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCCN3CCOCC3)C(=O)N(Cc3ccc(OC(C)(C)C)cc3)C2=O)cc1 1873170236 RQIHHPCBEFIZFS-UHFFFAOYSA-N 556.707 4.473 10 10 KICE N=C1C(=Cc2ccc(SCc3ccc(Cl)cc3)o2)C(=O)N=C2SC(CC(=O)N3CCOCC3)=NN12 2297349964 ICMIQLUEXCQESY-UHFFFAOYSA-N 530.031 4.093 10 10 KICE Cc1ccc2nc(N3C[C@H](C)C[C@@H](C)C3)c(C=C3SC(=S)N(CCCCCC(=O)O)C3=O)c(=O)n2c1 2314400934 RQAMBMHBFDNICU-QZTJIDSGSA-N 528.700 4.331 10 10 KICE COc1ccc(C=C2SC(N=c3[nH]nc(SCC(=O)Nc4ccc(Cl)cc4)s3)=NC2=O)cc1 2314951903 NGZRJDODFKFJIC-UHFFFAOYSA-N 518.045 4.435 10 10 KICE Cc1ccc(OCCCn2cc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)c3ccccc32)cc1 96459843 HTOHCDBKTNJXEE-RDJYZGLESA-N 521.624 4.040 10 10 KICE CC[C@H](NC(=O)c1ccc2[nH]c(-c3ccc(C)cc3)nc2c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862099487 VDAPVNBKPUFELJ-VWLOTQADSA-N 511.626 4.404 10 10 KICE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCC(C)C)=C(N)O2 1864010135 IGZPTEGBKLOZAI-QHCPKHFHSA-N 506.603 4.102 10 10 KICE NC1=C(C(=O)NC2CC2)[C@@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(Cc3ccc(F)cc3)c2O1 1864016679 VGVOCTSQXPKGFO-QHCPKHFHSA-N 512.541 4.122 10 10 KICE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)NC2CC2)=C(N)O3)cc1 1864017585 PIQCBZAJSJFECF-VWLOTQADSA-N 538.604 4.300 10 10 KICE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(-c5ccccc5)nn4C)[C@H]3c3ccccc3)CC2)cc1 1865019056 KPJDKJXQYPTHJC-RUZDIDTESA-N 521.621 4.139 10 10 KICE CCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@H](C)C1)=C(N)O2 1865032964 OTRGYSPUIYHLDE-UAVUOLJFSA-N 518.614 4.054 10 10 KICE CCCC[C@@H](NC(=O)c1cccc(OC(C)=O)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867296881 VGNYKSKPCUDKKW-IZLXSDGUSA-N 522.690 4.310 10 10 KICE CCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(C)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867876822 HGOVAPMDJJERFY-RSXGOPAZSA-N 509.651 4.211 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)Cc3nc(-c4cccc(C)c4)oc3C)CC2)cc1 1868634855 SLNORIKENQWMKK-RUZDIDTESA-N 536.698 4.096 10 10 KICE CC[C@@](C)(NC(=O)Cc1nc(-c2ccc(C)cc2)oc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868635930 DTWSMOHRAVHAFA-GDLZYMKVSA-N 504.631 4.143 10 10 KICE COc1ccc(N2CCN(c3nc(=NCCc4ccccc4)[nH]c(=Nc4ccc(C)cc4C)[nH]3)CC2)cc1 1871604330 ZNKFJYQRSQATDK-UHFFFAOYSA-N 509.658 4.066 10 10 KICE COc1ccc(CCNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCOC(C)C)C2=O)cc1 1873162502 YMMGFLLEFRVZGP-UHFFFAOYSA-N 501.627 4.440 10 10 KICE CCc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(OCc3cccc(C(=O)O)c3)c(OC)c2)C1=O 2313564979 JYTMYEPVMLZNFO-UHFFFAOYSA-N 500.507 4.201 10 10 KICE CCCOC(=O)[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(OCC(=O)N3CCOCC3)c(OCC)c2)SC1=S 101739929 RHSIOCUWUOMDDH-INZJWMLVSA-N 584.716 4.219 10 10 KICE CC(=O)C(/N=N/c1ccc(/C=C\c2ccc(-n3nc4cc(S(=O)(=O)O)c5ccccc5c4n3)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1)C(C)=O 150378201 RLAAWRVSLGRFJS-YEAKSZLBSA-N 713.728 4.115 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)cc3OC)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 254396646 YWDHQGBKWRWAML-GDLZYMKVSA-N 593.746 4.451 10 10 KICE CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(OC)cc1)=C(N)O2 1864016967 AYCFJWFLGIVADG-VWLOTQADSA-N 526.593 4.174 10 10 KICE Cc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)C1CCCCC1)=C(N)O2 1865026197 JVDFGKMVPYPKGL-XMMPIXPASA-N 506.578 4.276 10 10 KICE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C)CC1)=C(N)O2 1865030384 IUZCBOOMNVUELT-DEOSSOPVSA-N 520.605 4.387 10 10 KICE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCC1)=C(N)O2 1865034623 APBMPNCSLVLGTK-QFIPXVFZSA-N 509.006 4.266 10 10 KICE Cc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CC(=O)N3CCc4ccccc4[C@@H]3C2)n1 1868480433 AGBWNGGFZQRRCT-VWLOTQADSA-N 515.573 4.250 10 10 KICE COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2[C@@H](Cc3ccccc3)COCC2(C)C)n1 1869102334 OOFFCAOGRNZVMX-SANMLTNESA-N 531.701 4.227 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)[C@@H](C)Oc4ccc(Cl)cc4)n(C(C)(C)C)n3)CC2)cc1 1869970518 MLYZWUGZYMMTNV-GOSISDBHSA-N 513.042 4.428 10 10 KICE CCc1ccccc1N=c1[nH]c(N2CCN(c3ccc(OC)cc3)CC2)nc(=NCc2ccccc2C)[nH]1 1871558194 SXZHLEFYTMQMOQ-UHFFFAOYSA-N 509.658 4.277 10 10 KICE CCN(CC)C(=O)COc1ccc(C=C2SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)cc1 2314765181 WZDPGPIAQODVPU-UHFFFAOYSA-N 504.033 4.133 10 10 KICE CC(C)c1nc2c(Cl)cc(C(F)(F)F)cn2c1C=C1SC(=S)N([C@H](C(=O)O)[C@H](C)O)C1=O 2323823523 OEYVVCSBQIKAEQ-RTHLEPHNSA-N 507.943 4.165 10 10 KICE CCCCn1c(N2C[C@@H](C)C[C@@H](C)C2)c(/C=C2\SC(=S)N(CCOC)C2=O)c(C)c(C#N)c1=O 39990473 XRZDTNVYGLABCR-POKCEJIYSA-N 502.706 4.158 10 10 KICE CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3Cl)C2=O)ccc1OCC(=O)O 59815843 MTOPSHMDPWUQFT-CAOOACKPSA-N 527.407 4.402 10 10 KICE CCOC(=O)c1cccc(-c2ccc(/C=C3/C(=O)N(c4ccc(S(N)(=O)=O)cc4)N=C3C(F)(F)F)o2)c1 103638571 WXQVNEFRBPASIV-CPNJWEJPSA-N 533.484 4.119 10 10 KICE CC(C)c1nc2c(Cl)cc(C(F)(F)F)cn2c1/C=C1/SC(=S)N([C@@H](CC(=O)O)C(=O)O)C1=O 1858596680 YMIVILBYFCSXIC-ZFSPTPKQSA-N 521.926 4.259 10 10 KICE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCCc2cn(C)c4ccccc24)[C@H]3c2ccc(O)c(O)c2)cc1 1864007085 FVFCRGPANPORPP-NDEPHWFRSA-N 549.631 4.446 10 10 KICE Cc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(Cl)c1)=C(N)O2 1864010504 UWJIOZAGCGNLLX-DEOSSOPVSA-N 534.975 4.455 10 10 KICE CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccs1)=C(N)O2 1864012668 GEASEXFYIIDHIW-HSZRJFAPSA-N 516.623 4.368 10 10 KICE CCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOc1ccccc1)=C(N)O2 1864019315 IMNFHUBNPGFCGQ-SANMLTNESA-N 540.620 4.103 10 10 KICE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1cccs1)[C@@H]2c1ccc(O)c(O)c1 1864023324 YBRIYELHWCHKJH-MRXNPFEDSA-N 508.522 4.042 10 10 KICE CC(C)(NC(=O)[C@H]1CCCN1Cc1ccccc1F)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866910699 AEKLTIPZJYRUQW-XMMPIXPASA-N 513.569 4.099 10 10 KICE O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(C2CC2)on1 1867154303 YGQDGIAIRFLFHR-QHCPKHFHSA-N 505.530 4.307 10 10 KICE CCOCCCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3ccc(Cl)cc3)c3ccccc32)SC1=S 2296712191 IGFPBEIVNFLOGB-UHFFFAOYSA-N 516.044 4.323 10 10 KICE C[C@@H]1C[C@@H](C)CN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(CCCCCC(=O)O)C2=O)C1 2314399966 GFJQYIQPHDLSDS-IAGOWNOFSA-N 514.673 4.023 10 10 KICE COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NCCCCCC(=O)O)C2=O)cc1OC 15044775 COCOERGCMMGNEJ-SILNSSARSA-N 508.662 4.227 10 10 KICE COc1ccc(N(C2CCN(Cc3cccc(OC)c3O)CC2)S(=O)(=O)c2ccc(F)cc2)cc1OC 34683945 ZTLAQMFRGASBHF-UHFFFAOYSA-N 530.618 4.417 10 10 KICE O=C1/C(=C\c2c(Oc3ccc(Cl)cc3Cl)nc3ccccn3c2=O)SC(=S)N1[C@H]1CCS(=O)(=O)C1 101062232 ZUSJBAODKJRJDD-VZWMTCDZSA-N 568.485 4.182 10 10 KICE CCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cc(C)ccc2C)[C@H]1c1ccc(O)c(O)c1 1864015815 WCVBAKCDXFGKQA-LJQANCHMSA-N 516.520 4.199 10 10 KICE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC)=C(N)O2 1864018379 JVUFVPWVSHYFTC-OAQYLSRUSA-N 547.439 4.059 10 10 KICE NC1=C(C(=O)NC2CC2)[C@@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(Cc3c(F)cccc3Cl)c2O1 1864021698 FRGPUNYUCVUNIS-KRWDZBQOSA-N 538.885 4.127 10 10 KICE CC(C)CCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(F)cc2)[C@H]1c1ccc(O)c(O)c1 1864021738 FZMUJVHMFXQWNO-LJQANCHMSA-N 534.510 4.357 10 10 KICE CCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)c1ccc3c(c1)CCCC3)=C(N)O2 1864022100 SVYKUKCGJWNCKL-UPCLLVRISA-N 502.615 4.327 10 10 KICE CC(=O)Oc1ccc(C[C@H](NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867696910 LYEJZLZZUAKBKH-PXLJZGITSA-N 740.323 4.037 10 10 KICE CC[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867767102 DNSJDMOYZJLQCV-ISKFKSNPSA-N 516.042 4.166 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)c3cc(C)n(-c4cccc(C)c4)n3)CC2)cc1 1868769233 WMBQSHGNLZODSD-PMERELPUSA-N 537.664 4.188 10 10 KICE CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CC[C@@H](O)C[C@@H]2c2ccc(OC)c(OC)c2)n1 1869139973 FMCPQOKRQCVSSK-ILBGXUMGSA-N 533.673 4.094 10 10 KICE CCc1cccc(C)c1NC(=O)COc1cn(CC)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870403835 ZQINNZSAAYIXQM-UHFFFAOYSA-N 518.658 4.087 10 10 KICE CC(C)(C)OC(=O)NCCC(CCNC(=O)OC(C)(C)C)NCc1c(O)cccc1Br 2025364271 SOGWYXUJWKTHLH-UHFFFAOYSA-N 502.450 4.443 10 10 KICE CS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OCc4ccccc4Cl)c(Cl)c3)C(=N)N21 2297345437 WPMNSCXQMYXAOW-UHFFFAOYSA-N 509.396 4.194 10 10 KICE O=C1/C(=C\c2c(N3CCN(c4cccc(Cl)c4)CC3)nc3ccccn3c2=O)SC(=S)N1C[C@H]1CCCO1 33355602 MCKVUEBFXRSXNV-JFLDFIPSSA-N 568.124 4.055 10 10 KICE COc1ccc(CN2C(=O)/C(=C\c3c(C)c(C#N)c(=O)n(C)c3N3CCC(C)CC3)SC2=S)cc1 33383649 LSSKTXMSUBEVBI-LPYMAVHISA-N 508.669 4.212 10 10 KICE CCOC(=O)[C@@H](c1ccccc1)N1C(=O)/C(=C2/C(=O)N(C)c3ccc(Br)cc32)SC1=S 101738247 MUUPEVCYFMGJJP-FXBHHXAOSA-N 517.426 4.301 10 10 KICE CCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(Cc1ccccc1)C(C)C)=C(N)O2 1865034815 FJGQHMPZIFNZPX-VWLOTQADSA-N 525.609 4.373 10 10 KICE O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(-c2cccnc2)on1 1867165900 KORAKAWGURXHAQ-VWLOTQADSA-N 542.551 4.492 10 10 KICE Cc1ccc(CC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)o1 1867250986 RSYQREGBHKUHME-VWLOTQADSA-N 510.521 4.411 10 10 KICE CCCC[C@H](NC(=O)c1cccc(OC(C)=O)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867296882 VGNYKSKPCUDKKW-NSOVKSMOSA-N 522.690 4.310 10 10 KICE COc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1OC 1867307804 FBJHFKOVOVNCMI-VMPREFPWSA-N 558.723 4.454 10 10 KICE COc1ccc(N2CCN(c3nc(=NC(=O)c4[nH]c5ccc(C)cc5c4C)n(C(C)(C)C)[nH]3)CC2)cc1 1869970714 OEZDKWYNYNDODY-UHFFFAOYSA-N 501.635 4.141 10 10 KICE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4cccc(F)c4)cn3Cc3ccccn3)CC2)cc1 1870617055 UCFGNYQFEYBLRZ-UHFFFAOYSA-N 514.601 4.341 10 10 KICE CCOC(=O)N1CCC(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(Cc3ccco3)C2=O)CC1 1873162524 ZSDKGYPYFRDRFB-UHFFFAOYSA-N 516.598 4.178 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(N[C@@H]3CCCC[C@@H]3C)C(=O)N(Cc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 1873170417 ZDVPDUVBWOMXNU-AFMDSPMNSA-N 546.693 4.190 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)c3ccc(C)c(C)c3)CC2)cc1 1874643075 RORDWHXGCNHQDC-GDLZYMKVSA-N 510.638 4.483 10 10 KICE O=C(O)CCCCCN1C(=O)C(=Cc2c(N3CCN(c4ccccc4F)CC3)nc3ccccn3c2=O)SC1=S 2314408623 SPFGRAJKFKURBQ-UHFFFAOYSA-N 581.695 4.006 10 10 KICE CCOc1cc(C=C2SC(=S)N(CCCCCC(=O)OC)C2=O)ccc1OCC(=O)N(CC)CC 2314755209 YNOWLEMCOKEVSA-UHFFFAOYSA-N 522.689 4.267 10 10 KICE CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCCOCCOc1ccc(C)cc1 34871425 SRDQKCMGYWECHK-PLRJNAJWSA-N 502.567 4.330 10 10 KICE Cc1ccc2nc(N3CCN(c4cccc(Cl)c4)CC3)c(/C=C3/SC(=S)N(C[C@@H]4CCCO4)C3=O)c(=O)n2c1 102684932 YRYHSZBZNHVSGJ-VQYZLWMVSA-N 582.151 4.363 10 10 KICE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC(C)C)=C(N)O2 1864013250 UDFRKQPHRCSBKL-NRFANRHFSA-N 514.985 4.307 10 10 KICE CCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCCC1)=C(N)O2 1864020197 WXINNSACJQKGKS-XMMPIXPASA-N 502.615 4.439 10 10 KICE CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CCC)CCC(=O)OCC)=C(N)O2 1865029289 JWCMKBKJOWKDJN-VWLOTQADSA-N 548.640 4.122 10 10 KICE CCCC[C@H](NC(=O)[C@H](Cc1ccncc1)c1ccccc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868674483 YPGSZQDHDUCGDF-WDYNHAJCSA-N 514.670 4.440 10 10 KICE COc1ccc(N2CCN(C(=O)CNC(=O)CCc3ccc4nc(O)c(-c5ccccc5)cc4c3)CC2)cc1 1868829258 XFFHFAQWWFFRQH-UHFFFAOYSA-N 524.621 4.014 10 10 KICE C=Cc1ccccc1OCC(=O)N[C@H](CSCc1ccccc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869050598 BPSICIYINLQERQ-MUUNZHRXSA-N 545.705 4.484 10 10 KICE COc1ccc(N2CCN(c3cc(N4CC(=O)N5CCc6c(F)cccc6[C@H]5C4)nc(Cc4ccccc4)n3)CC2)cc1 1869087013 UZEIWYZWOQCNII-SSEXGKCCSA-N 578.692 4.488 10 10 KICE COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)C1=Cc1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1 2294061153 INLQNYYRNJDYAL-UHFFFAOYSA-N 571.051 4.335 10 10 KICE CCc1ccc(N2C(=O)C(=Cc3ccc(OCc4ccc(C(=O)O)cc4)c(OC)c3)C(=O)NC2=S)cc1 2294229015 FAYZIRFQRGNERG-UHFFFAOYSA-N 516.575 4.366 10 10 KICE CC(C)CS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(-c4ccc(Br)cc4)o3)C(=O)N=C2S1 2297346459 IPNRPUSMVPUJFF-UHFFFAOYSA-N 521.418 4.357 10 10 KICE CC(C)CC(=O)N1CCN(c2ccc(NC(=O)C=Cc3ccc(N4CCOCC4)c([N+](=O)[O-])c3)cc2Cl)CC1 2313685441 KDNLPCUQMRNPCV-UHFFFAOYSA-N 556.063 4.431 10 10 KICE CC[C@H](Oc1ccc(C=C2SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1OC)C(=O)O 2314931064 BQNDVWIKAPZCKO-KRWDZBQOSA-N 517.625 4.398 10 10 KICE COC(=O)c1ccc(N2C(=O)N=C(O)/C(=C\c3ccccc3OCc3ccc(C(=O)O)cc3)C2=O)cc1 33313410 OQSIVBNNWJHXAT-KGENOOAVSA-N 500.463 4.257 10 10 KICE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N(CCCC(=O)O)C2=O)c1C 39836079 CYMRXQIKERUPQQ-CPNJWEJPSA-N 509.609 4.478 10 10 KICE COc1cccc(OCCOc2c(Br)cc(/C=C3/C(=O)NN(c4ccccc4)C3=O)cc2OC)c1 100373707 UUZPHSARPARIPT-BKUYFWCQSA-N 539.382 4.386 10 10 KICE CC(C)CCN1C(=O)/C(=C\c2c(N3CCN(c4ccccc4F)CC3)nc3ccccn3c2=O)SC1=S 102571059 CGGICVZGMLQFBV-OQKWZONESA-N 537.686 4.408 10 10 KICE Cc1cccn2c(=O)c(/C=C3\SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(NCc3ccco3)nc12 110074768 BPLYRNQJYPEFER-JCMHNJIXSA-N 584.683 4.412 10 10 KICE Cc1c(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c(NCc2ccc3c(c2)OCO3)n(C)c(=O)c1C#N 143276584 QEKMIWGUEIRWPC-CFRMEGHHSA-N 544.658 4.350 10 10 KICE O=C1c2ccccc2C(=O)c2cc(NC(=O)C3CCN(C(=O)c4cncc(Br)c4)CC3)ccc21 1860598630 MOACMAOORCESML-UHFFFAOYSA-N 518.367 4.110 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](CSCc3ccccc3)NC(=O)c3sccc3C)CC2)cc1 1862246490 MFZGKEJAXKXTDQ-XMMPIXPASA-N 509.697 4.446 10 10 KICE CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN(C)C)=C(N)O2 1864013576 CVQGZZBZKTXQEP-AREMUKBSSA-N 541.652 4.152 10 10 KICE COC(=O)c1c(NC(=O)[C@H](C)N2C(=O)c3cccnc3C2=O)sc(C)c1-c1ccc(Br)cc1 1866240253 HRNRSDOFAHNMOI-NSHDSACASA-N 528.384 4.291 10 10 KICE CC[C@@](C)(NC(=O)c1cc(OC)cc(OC)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867396341 MQVWYUJORIPYPR-GGXMVOPNSA-N 510.679 4.012 10 10 KICE CCCCn1cc(OCC(=O)N(C)C2CCCCC2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870505674 INSROVPTLQVDRD-UHFFFAOYSA-N 524.706 4.149 10 10 KICE COc1ccc(OCCOc2ccc(C=C3C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)cc2OC)cc1 2293692864 VHLPDPVJFCWVES-UHFFFAOYSA-N 520.489 4.343 10 10 KICE O=C(NN1C(=O)C(=C2C(=O)N(Cc3ccccc3Cl)c3ccccc32)SC1=S)c1ccncc1 2297456145 JRRYHMCRVYCGJO-UHFFFAOYSA-N 506.996 4.198 10 10 KICE COc1cc(C=C2C(=O)NC(=O)N(c3ccccc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 2313521415 MKRDQOGQWXNFGK-UHFFFAOYSA-N 599.337 4.453 10 10 KICE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCc4ccc(C)cc4)c(Cl)c3)C(=N)N21 20206851 FPNAFTIXQXZCIF-KMFLQCEESA-N 503.005 4.239 10 10 KICE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCCCOc4c(C)cccc4C)cc3)C(=N)N21 104561197 LIUJYEWQTYPWJN-UQIALHJZSA-N 526.640 4.163 10 10 KICE COc1ccc([C@H](CNC(=O)CN2C(=O)/C(=C\c3cccs3)SC2=S)N2CCCCC2)cc1 205608089 KCQCMLZNASLRPO-LQOIVRHRSA-N 501.699 4.301 10 10 KICE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCC(C)C)=C(N)O2 1864012837 KKTQECJWYAVIHV-QFIPXVFZSA-N 511.022 4.415 10 10 KICE Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@H](C)C1)=C(N)O2 1865028122 PWHXSPNRZXETSK-SASJJMKUSA-N 545.423 4.229 10 10 KICE CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1CCO)=C(N)O2 1865029410 MMSMAJRJSHAFCZ-NBGIEHNGSA-N 532.641 4.003 10 10 KICE CC[C@H](NC(=O)c1cc(C)n(-c2ccccc2F)n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867172074 JUIJHQGIEVKCJB-NRFANRHFSA-N 510.525 4.242 10 10 KICE CSCC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccc3c(c1)OCO3)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867448622 AJROJJXDFJLLDE-JSOSNVBQSA-N 685.847 4.472 10 10 KICE COCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCc2nc3ccccc3[nH]2)C1=O 1873165123 CSTKJRMDHKMDMK-UHFFFAOYSA-N 511.626 4.309 10 10 KICE CCOCCCN1C(=O)C(NCCOc2ccc(OC)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873165983 ZBGRTZYCVOBSFP-UHFFFAOYSA-N 517.626 4.278 10 10 KICE COc1ccc(-c2ccc(C=C3C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)o2)c([N+](=O)[O-])c1 2297348163 NRGZCPBGNABZAB-UHFFFAOYSA-N 512.272 4.292 10 10 KICE COc1cc(C=C2C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)ccc1OCc1ccc(C(=O)O)cc1 2313560831 IIXYMXMSSMDAHU-UHFFFAOYSA-N 551.349 4.401 10 10 KICE CCCCCCN1C(=O)C(=Cc2c(N3C[C@H](C)O[C@@H](C)C3)nc3c(C)cccn3c2=O)SC1=S 2314401430 YGJNUTSESOEGKS-ROUUACIJSA-N 500.690 4.398 10 10 KICE CC[C@@H](Oc1cccc(C=C2SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c1)C(=O)O 2314932786 YQMCLWYRVKGPKO-LJQANCHMSA-N 509.609 4.132 10 10 KICE COc1ccc([C@H](NC(=O)c2cc(OC)c(OC)c(OC)c2)c2cc([N+](=O)[O-])c3cccnc3c2O)cc1OC 2921349 XBNSOXTZDNXBOO-DEOSSOPVSA-N 549.536 4.411 10 10 KICE CCOC(=O)CCCCCN1C(=O)/C(=C\c2cc(Br)c(OCC(=O)N3CCOCC3)c(OCC)c2)SC1=S 101732120 GMDIETFIFNOQPL-LTGZKZEYSA-N 629.595 4.410 10 10 KICE C[C@@H](O)[C@H](C(=O)O)N1C(=O)/C(=C\c2cn(CCOc3ccc(Cl)cc3)c3ccccc23)SC1=S 1858595507 BXKQZEBBEMYYJH-GWTYIMFXSA-N 517.028 4.409 10 10 KICE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccs1)=C(N)O2 1864011225 RUZXKBJMVIVGJY-JOCHJYFZSA-N 502.596 4.309 10 10 KICE NC1=C(C(=O)NC2CC2)[C@@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(Cc3ccccc3F)c2O1 1864016493 QJVXIUDWCGFYIC-QHCPKHFHSA-N 512.541 4.122 10 10 KICE COc1ccc(-c2nn(CC(C)C)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)NCc2ccncc2)=C(N)O3)cc1 1864017853 WXEPPPOJSYKCQS-XMMPIXPASA-N 541.608 4.032 10 10 KICE CCCC[C@H](NC(=O)c1ccc(N(C)C)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867890702 OBCGHMPFCYOCLJ-NSOVKSMOSA-N 507.723 4.451 10 10 KICE CCOC(=O)N1CCC(N2C(=O)C(NCc3ccco3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)CC1 1873164300 UZTBCMWYGPSTSV-UHFFFAOYSA-N 516.598 4.178 10 10 KICE CC[C@H](C)N1C(=O)C(=Cc2c(N3CCN(c4ccc(F)cc4)CC3)nc3ccc(C)cn3c2=O)SC1=S 2297463996 COJMBKDYYFZUAQ-SFHVURJKSA-N 537.686 4.468 10 10 KICE CCOC(=O)c1cccc(-c2ccc(C=C3C(=N)N4N=C(CC(=O)N5CCCCC5)SC4=NC3=O)o2)c1 2297468281 UPVMOPVAJAMHQP-UHFFFAOYSA-N 519.583 4.145 10 10 KICE Cc1cc(Br)c(N2C(=O)NC(=O)C(=Cc3cc4c(cc3Br)OCO4)C2=O)cc1C 2313547747 AYVDNHWRGWDJKX-UHFFFAOYSA-N 522.149 4.224 10 10 KICE COc1cc(/C=C2/C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)ccc1OCc1ccc(Cl)cc1 3983353 GEXJCLNTMJYORC-LPYMAVHISA-N 511.987 4.381 10 10 KICE COc1ccc(N2CCN(c3ncnc4sc(C(=O)N5CCN(c6ccccc6F)CC5)c(C)c34)CC2)cc1 100664761 HXKLATUECJGUJT-UHFFFAOYSA-N 546.672 4.436 10 10 KICE Cc1ccc(/C=C2\SC(=S)N(CCC(=O)N(Cc3sccc3C)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 101266750 QLMKHXXSUHPECQ-PQDCBLBRSA-N 534.750 4.172 10 10 KICE Cc1ccc(CN(C(=O)CCCN2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)[C@@H]2CCS(=O)(=O)C2)o1 101267025 AHKWEYFEAAUKSB-UOIFGXKSSA-N 553.127 4.439 10 10 KICE COc1ccc(CCN2C(=O)/C(=C/c3c(N4C[C@H](C)O[C@H](C)C4)nc4ccc(C)cn4c3=O)SC2=S)cc1OC 105605962 BIVVFMPTSUFJKM-GAJHHXGFSA-N 580.732 4.078 10 10 KICE C=CCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CCC)c2NCCc2ccc(OC)c(OC)c2)SC1=S 143299199 MMCLBMYDPCYGRX-HAHDFKILSA-N 538.695 4.497 10 10 KICE COc1ccc(Oc2cc(N)c3c(c2N)C(=O)c2c(N)c(Oc4ccc(OC)cc4)cc(N)c2C3=O)cc1 206677570 MJBCWOYMNHYMFC-UHFFFAOYSA-N 512.522 4.393 10 10 KICE COc1ccc(C2=C(O)C(=O)N(c3cc(OC)c(OC)c(OC)c3)[C@H]2c2ccc(O)c(O)c2)cc1OC 526632354 KOIINBIEEYVEMQ-DEOSSOPVSA-N 509.511 4.198 10 10 KICE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccnc1)=C(N)O2 1864013236 UAJQVGUEYYGFSQ-DEOSSOPVSA-N 546.027 4.355 10 10 KICE CCc1ccc([C@@H](C)NC(=O)C2=C(N)Oc3c(c(CC)nn3-c3ccccn3)[C@@H]2c2ccc(O)c(O)c2)cc1 1864019030 UPLGIMAWGAMMHV-NSYGIPOTSA-N 525.609 4.375 10 10 KICE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC1)=C(N)O2 1865030099 CGNJEFWUCMHJMT-QFIPXVFZSA-N 509.006 4.266 10 10 KICE Cc1oc(-c2ccc(C(C)(C)C)cc2)nc1CC(=O)N[C@@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866680213 KNPJRKVFTHEYNB-SANMLTNESA-N 565.626 4.381 10 10 KICE Cn1c(SCCC(=O)NC(C)(C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)nnc1-c1ccccc1 1867072951 IOVJEMYEFNDJTJ-UHFFFAOYSA-N 553.644 4.273 10 10 KICE CC(C)OCCCNc1nc2ccccn2c(=O)c1C=C1SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O 2296731271 KPHIFNLFYZOEMY-UHFFFAOYSA-N 538.651 4.052 10 10 KICE C[C@@H]1CN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(Cc3ccccc3Cl)C2=O)C[C@@H](C)O1 2314400506 NXSNNHXODKETCC-HZPDHXFCSA-N 527.071 4.363 10 10 KICE CCCCN(C)c1c(/C=C2/SC(=S)N(CCc3ccc(OC)cc3)C2=O)c(C)c(C#N)c(=O)n1C 33458882 ATXPAOUSAROCFH-PXLXIMEGSA-N 510.685 4.254 10 10 KICE Cc1ccc(/C=C2\SC(=S)N(CCC(=O)NCCNC(=O)CCN3C(=O)/C(=C\c4ccc(C)cc4)SC3=S)C2=O)cc1 150408132 VQAHMFOOZUSGHB-QFFDILLMSA-N 638.862 4.419 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)CCCOc3ccccc3)CC2)cc1 1862224012 NYMWZORKVKWTTB-MUUNZHRXSA-N 519.617 4.070 10 10 KICE CCCn1nc(C)c2c1OC(N)=C(C(=O)NCc1ccccc1OC(C)(C)C)[C@@H]2c1ccc(O)c(O)c1 1864009872 MLHMYAYXJHEEBO-HSZRJFAPSA-N 506.603 4.201 10 10 KICE Cc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1Cl)=C(N)O2 1864012403 ZFZKPJPHUKYDKP-XMMPIXPASA-N 534.975 4.455 10 10 KICE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN(CC)CC)=C(N)O2 1864012881 LJVWMBCQAZFHNF-SANMLTNESA-N 547.700 4.146 10 10 KICE CCCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCC(C)C)=C(N)O2 1864012989 NOPYMRBMDHHBCI-QFIPXVFZSA-N 511.022 4.415 10 10 KICE CCCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1OC(C)(C)C)=C(N)O2 1864013795 GGPKBQMBUUEJEI-QHCPKHFHSA-N 520.630 4.455 10 10 KICE CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(CCC)nn2-c2cccc(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1865029586 QUEZNTKQRWEPGP-HSZRJFAPSA-N 541.048 4.205 10 10 KICE CCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@@H](C)C1)=C(N)O2 1865032627 HFRGPJSSWUJQHR-HHJKRLRDSA-N 516.642 4.413 10 10 KICE CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1C)=C(N)O2 1865035144 MJAXZNMMYBILIV-HJPURHCSSA-N 506.578 4.140 10 10 KICE COc1ccccc1NCCC(=O)N[C@@H](CCSC)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866890683 FOYFAOWNILNDJE-QHCPKHFHSA-N 531.634 4.149 10 10 KICE CCCCCCOc1ccc(C(=O)N[C@@H](CO)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867567057 DQVYISUBLJHWQZ-URLMMPGGSA-N 538.733 4.146 10 10 KICE COc1ccc(OCCN2C(=O)C(NCCCCN(C)C)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873167759 WJKOHDIMOLTJEL-UHFFFAOYSA-N 530.669 4.193 10 10 KICE Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccccc4)C3=O)c(N3C[C@H](C)O[C@@H](C)C3)nc12 2296698688 FGEHNEFXVJIBEO-ROUUACIJSA-N 506.653 4.018 10 10 KICE Cc1cccn2c(=O)c(C=C3SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(N3CCC[C@H](C)C3)nc12 2314414347 WUHZKXYLVFAQOB-SFHVURJKSA-N 586.743 4.443 10 10 KICE CCOC(=O)[C@@H](c1ccccc1)N1C(=O)C(=Cc2ccc(OCC(=O)N(CC)CC)c(OC)c2)SC1=S 2314769604 SMKJIXNGWOCUFQ-XMMPIXPASA-N 542.679 4.448 10 10 KICE COc1ccc(N2CCN(S(=O)(=O)c3ccc(F)c(C(=O)Nc4ccc(Br)cc4)c3)CC2)cc1 98049752 SBJOVSDOMCFUGM-UHFFFAOYSA-N 548.434 4.360 10 10 KICE CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3\SC(=S)N(C)C3=O)c2)CC1 101013640 OUJVCTYZJUOYNC-ULJHMMPZSA-N 596.756 4.334 10 10 KICE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCCOc4ccc(C)c(C)c4)c(Cl)c3)C(=N)N21 101395692 NOXGVYASNCABRN-JZSRTLTASA-N 547.058 4.426 10 10 KICE N=C1/C(=C\c2ccc(OCc3ccc4c(c3)OCO4)cc2)C(=O)N=C2SC(CC(=O)N3CCCCC3)=NN12 103602741 TYIQWJXAMXNDBC-RZIXDFODSA-N 531.594 4.016 10 10 KICE Cc1cc(C)cc(OCCOc2ccc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2Cl)c1 104560033 RMJLXRGUYRYDQT-BVDVPRQSSA-N 533.031 4.036 10 10 KICE Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C4CCCC4)C3=O)c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)nc12 105469899 OXCPANGXYFAXFB-XYGWBWBKSA-N 589.743 4.198 10 10 KICE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3/SC(=S)N(CCS(=O)(=O)O)C3=O)c2)C1 150658178 GYMFOQBPSYYWEZ-LZSGNZRWSA-N 646.838 4.295 10 10 KICE COc1ccc(NC(=O)Cn2cc(/C=C3/SC(=S)N(CCCC(=O)O)C3=O)c3ccccc32)cc1 1860827158 UJAJRULRWJIUEX-FYJGNVAPSA-N 509.609 4.355 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)CCc3ccc(Cl)cc3)CC2)cc1 1861947900 IMNLRBLKWZVDFR-MHZLTWQESA-N 506.046 4.358 10 10 KICE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NCc1ccccc1F)[C@@H]2c1ccc(O)c(O)c1 1864016992 BTNFNUOPQWXHEM-HSZRJFAPSA-N 530.556 4.140 10 10 KICE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C)CC1)=C(N)O2 1865029502 OTWROFRYGOXKKK-DEOSSOPVSA-N 518.614 4.198 10 10 KICE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)N1CCC[C@@H](C)C1)[C@@H]2c1ccc(O)c(O)c1 1865034177 QXSZINUKQFIMEM-UZUQRXQVSA-N 518.614 4.333 10 10 KICE COc1ccc(-n2nncc2C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 1866926333 QNHBURGRDAMVOA-HHHXNRCGSA-N 571.593 4.031 10 10 KICE CC[C@H](NC(=O)C[C@@H](c1ccccc1)c1nnc(C)o1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867032108 VLWCSHWXXMOTEG-GOTSBHOMSA-N 522.561 4.209 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCC(c5ncncn5)CC4)nc(-c4ccc(C)cc4)n3)CC2)cc1 1869172743 XBRBEEZYABMJFK-UHFFFAOYSA-N 522.657 4.356 10 10 KICE Cc1ccc2nc(NCc3ccco3)c(C=C3SC(=S)N(CCCCCC(=O)O)C3=O)c(=O)n2c1 2296715298 HLAOUQAQTYIYEI-UHFFFAOYSA-N 512.613 4.054 10 10 KICE CCCC[C@H](CC)CN1C(=O)C(=Cc2c(N3CCOCC3)nc3ccc(C)cn3c2=O)SC1=S 2314415066 WDZDBLUIADOEHO-SFHVURJKSA-N 500.690 4.257 10 10 KICE COc1ccc(CCN2C(=O)/C(=C\c3c(N4CCCCC4)nc4c(C)cccn4c3=O)SC2=S)cc1 1482211 FMIOBOUGAVSQFO-OQKWZONESA-N 520.680 4.446 10 10 KICE CCCCn1c(N2CCOCC2)c(/C=C2\SC(=S)N(Cc3ccc(F)cc3)C2=O)c(C)c(C#N)c1=O 39990316 IARZWJMLIFSQLT-HMAPJEAMSA-N 526.659 4.206 10 10 KICE CCOc1cc(/N=N/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(NC(C)=O)cc1N(CCOC(C)=O)CCOC(C)=O 111392073 IZFIERQAGQRBQN-CYYJNZCTSA-N 560.520 4.208 10 10 KICE COc1ccc(N2CCN(C(=O)c3cc(-c4ccc5c(c4)OCO5)n(-c4ccc(OC)cc4)n3)CC2)cc1 1862366319 LGHQXUKEVJWJTO-UHFFFAOYSA-N 512.566 4.248 10 10 KICE Cc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1F)=C(N)O2 1864012101 RAOARCMMQXRWDQ-XMMPIXPASA-N 534.975 4.455 10 10 KICE CCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(CC)CC)=C(N)O2 1864022143 UNWPHMPWOGGVLO-SANMLTNESA-N 541.652 4.152 10 10 KICE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C)CC1)=C(N)O2 1865032317 AEQIDWAVFUQZEC-QFIPXVFZSA-N 509.006 4.452 10 10 KICE CC(=O)Oc1ccc(C[C@@H](NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867789816 RVXCTSQCBOHBRF-LDNVYYCDSA-N 686.810 4.107 10 10 KICE CCCC[C@@H](NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867796192 DCEDNVOLYWGYNT-NAKRPHOHSA-N 552.720 4.359 10 10 KICE CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(C)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867876166 YSZIBWHNTSGCQV-RSXGOPAZSA-N 541.718 4.164 10 10 KICE CC[C@@](C)(NC(=O)Cc1nc(-c2ccccc2C)oc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868634767 QCNFUSLLHDTGEF-GDLZYMKVSA-N 504.631 4.143 10 10 KICE CC[C@@](C)(NC(=O)[C@H](Cc1ccncc1)c1ccccc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868670541 OEITXYBKOKRNNW-POURPWNDSA-N 500.643 4.050 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCNC(=O)[C@@H]4c4ccc(F)cc4)nc(-c4cccc(OC)c4)n3)CC2)cc1 1869316748 IEMNLRWBIHDOJW-PMERELPUSA-N 568.653 4.304 10 10 KICE CCCCCCOC(=O)COc1cn(CCCC)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870417587 ZFLDLPHTAHNOCS-UHFFFAOYSA-N 513.679 4.482 10 10 KICE COc1ccc(N2CCN(c3nc(=NCCc4ccc(F)cc4)nc(Nc4ccc(C)cc4)[nH]3)CC2)cc1 1871476054 ZXPXDVZFEXJKLA-UHFFFAOYSA-N 513.621 4.474 10 10 KICE Cc1ccc(C)c(CN2C(=O)C(NCCCN3CCOCC3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)c1 1873169826 XWIRUBZOSVMRMN-UHFFFAOYSA-N 526.681 4.303 10 10 KICE O=C1NCC[C@H]2CN(Cc3ccccc3O)CC[C@H]2CC(=O)N2CCN(C3CCOCC3)C[C@H]2COc2ccc(C(F)(F)F)cc21 2080442334 MKOCDXNFEMYUHG-QONNDPFASA-N 644.735 4.144 10 10 KICE O=C(O)COc1cccc(/C=C2/SC(=S)N(NC(=O)c3ccc(OCc4ccccc4)cc3)C2=O)c1 59815309 HYKQHTFNJJKLJM-HYARGMPZSA-N 520.588 4.275 10 10 KICE CCOc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC)ccc1OCCSc1ccccc1 104561135 DXYIPUNDRABJGM-NLPPSYTOSA-N 544.680 4.268 10 10 KICE Cc1ccccc1[C@@H]1N[C@](Cc2ccccc2)(C(=O)O)[C@@H]2C(=O)N(Cc3ccc4c(c3)C(=O)c3ccccc3C4=O)C(=O)[C@@H]12 106755881 RTZHNODFDIPHCJ-MEBNRWAXSA-N 584.628 4.282 10 10 KICE Cc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3nc(-c4ccc(S(C)(=O)=O)cc4)ns3)C2=O)cc1 206728076 SYMGUXXCRZINSR-QGOAFFKASA-N 544.705 4.147 10 10 KICE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC(C)C)=C(N)O2 1864018691 QTRKBOXHRFCLQW-QHCPKHFHSA-N 541.048 4.184 10 10 KICE Cc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCC1)=C(N)O2 1865027311 GLPVFLXLAHFLKO-OAQYLSRUSA-N 525.403 4.062 10 10 KICE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CCc1ccncc1)=C(N)O2 1865029894 XVWODJANYVCNQV-AREMUKBSSA-N 539.636 4.417 10 10 KICE CCC[C@H](NC(=O)c1c(OC)cccc1OC)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867364492 LJWWDWOLWUPWHZ-ZEQRLZLVSA-N 510.679 4.012 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCN(c5ncccn5)CC4)nc(-c4ccc(Cl)cc4)n3)CC2)cc1 1867981439 KVWGLVTVGBBFLO-UHFFFAOYSA-N 543.075 4.249 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)c3nc(CC(C)C)n4ccccc34)CC2)cc1 1868780194 VVMDEBKFSHZMLD-MHZLTWQESA-N 557.670 4.370 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)CCCc3cccc(Cl)c3)CC2)cc1 1868953186 ARAGWYDIQALDHQ-NDEPHWFRSA-N 536.072 4.453 10 10 KICE COc1ccc(CC(=O)Nc2nc(N3CCN(c4ccc(OC)cc4)CC3)nn2-c2ccc(C)cc2)cc1 1869970846 XVZJTSQMBOKJLI-UHFFFAOYSA-N 512.614 4.101 10 10 KICE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccccc4F)cn3CCCCCO)CC2)cc1 1870345062 VLVGUXNHUCSOHM-UHFFFAOYSA-N 509.622 4.060 10 10 KICE COc1ccc(N2CCN(C(=O)c3ccc4nc(SCC(=O)N(C)C5CCCCC5)[nH]c4c3)CC2)cc1 1872825394 WIGQKAZSBCGFRG-UHFFFAOYSA-N 521.687 4.417 10 10 KICE COCCCN1C(=O)C(NC2CCN(Cc3ccccc3)CC2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873162093 GEPMJBCXFWEITP-UHFFFAOYSA-N 526.681 4.465 10 10 KICE COc1ccccc1N1CCN(c2nc3ccc(C)cn3c(=O)c2C=C2SC(=S)N(CC(C)C)C2=O)CC1 2297461080 TUDCKNIJJQRNBZ-UHFFFAOYSA-N 549.722 4.195 10 10 KICE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1cc(Br)cc(Br)c1O 2313559746 QHBOZOKFGOGLEE-UHFFFAOYSA-N 544.981 4.346 10 10 KICE CCOc1cc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OCc1ccc2c(c1)OCO2 4657777 ISDMOVXCEHMAAU-UIILWQRHSA-N 527.562 4.455 10 10 KICE Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1/C=C1\C(=O)N(c2cccc(Cl)c2)C(=O)N=C1O 59858746 MOGAORCESFTDRO-YVLHZVERSA-N 510.850 4.466 10 10 KICE CCc1cccc2c(/C=C3/C(=O)N(CC)c4ccc(S(=O)(=O)N5CCOCC5)cc43)cn(CC(=O)N3CCCCC3)c12 101377594 GRIUTMATSVHEMO-TURZUDJPSA-N 590.746 4.144 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](CSCc3ccccc3)NC(=O)/C=C/c3ccco3)CC2)cc1 1862275279 DZVTYRUXLPOKAQ-ODUIWNOOSA-N 505.640 4.068 10 10 KICE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)NCCc2c[nH]c4ccccc24)[C@@H]3c2ccc(O)c(O)c2)cc1 1864008538 MEXLLKWRLOCPGS-MUUNZHRXSA-N 549.631 4.494 10 10 KICE Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)NCc2ccco2)[C@H]3c2ccc(O)c(O)c2)cc1 1864015054 IRQYEWTZXINFOP-IBGZPJMESA-N 526.471 4.215 10 10 KICE CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCCOC(C)C)[C@H]2c1ccc(O)c(O)c1 1864016125 HWXNQFUVPQUXNK-QHCPKHFHSA-N 520.630 4.243 10 10 KICE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1sccc1C 1865339028 HKFFCOXSLXCDGM-GOSISDBHSA-N 547.603 4.344 10 10 KICE CC[C@@H](NC(=O)C[C@H](c1ccccc1)c1nnc(C)o1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867032104 VLWCSHWXXMOTEG-DHIUTWEWSA-N 522.561 4.209 10 10 KICE CCCC[C@@H](NC(=O)c1cc(OC)cc(OC)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867390310 BLYAHBBHZXSRMK-IZLXSDGUSA-N 524.706 4.402 10 10 KICE COc1ccc([C@H](C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N2CCN(c3ccc(OC)cc3)CC2)C(C)C)cc1 1868858306 WJHBNQCCKCIOQS-LOYHVIPDSA-N 545.680 4.225 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(Cl)c([N+](=O)[O-])c3)C(=O)N(CCN(C)C)C2=O)cc1 1873421149 JAETXFOADGGFBN-UHFFFAOYSA-N 507.978 4.409 10 10 KICE CCOCCCN1C(=O)C(Nc2ccccc2C(=O)OC)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873425777 LGCLGFLFSWYMKY-UHFFFAOYSA-N 501.583 4.499 10 10 KICE COc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCN3CCOCC3)C2=O)c(OC)c1 1873426242 XRKUKFZFXXLHDR-UHFFFAOYSA-N 544.652 4.026 10 10 KICE Cc1ccc(CN2C(=O)C(=Cc3nc(S(=O)(=O)c4ccc(C)cc4)c(N4CCOCC4)o3)SC2=S)cc1 2296928351 HTCBUMKFXOLYQQ-UHFFFAOYSA-N 555.703 4.362 10 10 KICE CCN(CC)C(=O)COc1ccc(C=C2SC(=S)N(C[C@@H](c3ccc(OC)cc3)N(C)C)C2=O)cc1 2323879739 BSVIGWZIXQIAOM-QHCPKHFHSA-N 527.712 4.447 10 10 KICE CCCC[C@@H](NC(=O)C=C(C)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 2331919544 FJLVZXHIJBHONF-HHHXNRCGSA-N 587.698 4.429 10 10 KICE COc1ccc(N2CCN(C(=O)c3cc(-c4ccc5c(c4)OCO5)n(Cc4ccc(F)cc4)n3)CC2)cc1 1862366082 KAEFAWOBDYLYJY-UHFFFAOYSA-N 514.557 4.437 10 10 KICE Cc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC(C)C)=C(N)O2 1864009568 BCQIAUQROVFQPM-AREMUKBSSA-N 528.609 4.371 10 10 KICE CCc1ccc([C@H](C)NC(=O)C2=C(N)Oc3c(c(C)nn3-c3ccccn3)[C@H]2c2ccc(O)c(O)c2)cc1 1864009907 NBRKNKJIHBAATK-IVCQMTBJSA-N 511.582 4.121 10 10 KICE Cc1ccc(C)c(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)NC(C)C)[C@@H]3c2ccc(O)c(O)c2)c1 1864015045 IODSZHKEJGTJLS-LJQANCHMSA-N 516.520 4.197 10 10 KICE CCCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1864017111 FTEAORRGDSCNFN-LJQANCHMSA-N 503.386 4.374 10 10 KICE CCCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1864018114 CUBKSKVLRXCRJH-FQEVSTJZSA-N 517.413 4.433 10 10 KICE CCN(CCc1ccncc1)C(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(Cl)cc2)[C@@H]1c1ccc(O)c(O)c1 1865027317 GPZOZRHRCJJMBM-VWLOTQADSA-N 546.027 4.426 10 10 KICE CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(CC)nn2-c2cccc3ccccc23)[C@H]1c1ccc(O)c(O)c1 1865038128 UYMMWLDWHROAIE-AREMUKBSSA-N 542.636 4.315 10 10 KICE CCN=c1nc(Nc2ccc(N3CCC(C)CC3)cc2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871660958 SSPHUDIOMIOABJ-UHFFFAOYSA-N 502.667 4.040 10 10 KICE CCOC(=O)c1ccc(CN2C(=O)C(NC3CCN(C)CC3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873170637 JHFXQLHCGGMHTN-UHFFFAOYSA-N 540.664 4.235 10 10 KICE COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)C1=Cc1ccc(CNS(=O)(=O)c2ccccc2)o1 2294061131 HBXUSVIJCDIDHK-UHFFFAOYSA-N 506.580 4.252 10 10 KICE CC1=C(C(=O)OCc2ccccc2)[C@@H](c2cccs2)n2c(s/c(=C\c3ccc(N(C)C)cc3)c2=O)=N1 33920833 VRBCNUJAPLWPFZ-QKSFETHESA-N 515.660 4.106 10 10 KICE CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(\C)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1 205939927 ZDBUFKQSGZKKBY-HAVVHWLPSA-N 535.586 4.383 10 10 KICE O=C1c2ccccc2C(=O)c2cc(CN3C(=O)[C@@H]4[C@H](C(=O)O)N[C@H](c5cc(Cl)cc(Cl)c5Cl)[C@@H]4C3=O)ccc21 247380649 JDVKAXJWFVGMDV-IRMYBRCSSA-N 583.811 4.321 10 10 KICE COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N[C@@H](C)c2ccccc2)[C@H]3c2ccc(O)c(O)c2)cc1 1864007204 HSJMJMYHEDCCQJ-LMKMVOKYSA-N 512.566 4.173 10 10 KICE CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCCO)=C(N)O2 1864014176 OTDUGXOPOSFYIY-AREMUKBSSA-N 542.636 4.363 10 10 KICE CCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1ccccc1OC(C)C 1865456392 DDBMFOYWXPFIPU-AREMUKBSSA-N 531.657 4.051 10 10 KICE Cc1ccc(-c2nc3cc(C(=O)N[C@H](CO)C(=O)Nc4cccc5c4C(=O)c4ccccc4C5=O)ccc3o2)cc1 1866884522 ZVTRQOWWKZMLPM-RUZDIDTESA-N 545.551 4.308 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)c3snc4ccccc34)CC2)cc1 1869057305 MYTJBGSTDSZDRI-VWLOTQADSA-N 518.614 4.134 10 10 KICE CCOc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCN3CCOCC3)C2=O)cc1 1873425782 LHZWFCDGJJEEPL-UHFFFAOYSA-N 514.626 4.017 10 10 KICE CC(C)(C)OC(=O)NCCN(Cc1ccccc1)C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 2022906276 PMEBFWIBICNQIM-NRFANRHFSA-N 529.634 4.087 10 10 KICE CC(=O)Nc1ccc(OCCOc2ccc(C=C3C(=N)N4N=C(c5ccco5)SC4=NC3=O)cc2)cc1 2297347327 JOHDWSLFVXMXGG-UHFFFAOYSA-N 515.551 4.363 10 10 KICE COc1ccc(N2CCN(c3nc(SCc4ccc(C(=O)N5CCN(C(C)=O)CC5)cc4)nc(C)c3C)CC2)cc1 102194002 OCKYDAYRIWTYQV-UHFFFAOYSA-N 574.751 4.025 10 10 KICE O=C1N=C(N2CCN(c3ccccc3[N+](=O)[O-])CC2)S/C1=C/c1ccccc1OS(=O)(=O)c1ccccc1 102475062 YXOUWYLDJUKTDD-HKOYGPOVSA-N 550.618 4.155 10 10 KICE COc1cccc2cc(-c3nn(-c4ccccc4)cc3/C=C3/SC(=S)N(CCS(=O)(=O)O)C3=O)oc12 110927099 KEWFPODZYHVKEG-DEDYPNTBSA-N 541.632 4.383 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@@H]1c1cccc(OC)c1 254408191 GFESCZJKJDBUQQ-HHHXNRCGSA-N 545.636 4.354 10 10 KICE CCCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(F)cc1)=C(N)O2 1864012789 JDYOGDYYPODGQM-VWLOTQADSA-N 528.584 4.445 10 10 KICE Cc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C)CC1)=C(N)O2 1865026578 PWRSMWWJNPTLCM-HSZRJFAPSA-N 509.006 4.258 10 10 KICE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N(Cc1ccccc1)C(C)C)[C@@H]2c1ccc(O)c(O)c1 1865034051 NWOMMAPPLYQVEI-LJQANCHMSA-N 516.520 4.465 10 10 KICE CC(=O)Oc1ccc(C[C@@H](NC(=O)c2ccc3c(c2)C(=O)N(C(C)C)C3=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867434860 MNQHKKOZZGJZMK-NOCHOARKSA-N 667.807 4.367 10 10 KICE COCCCN1C(=O)C(Nc2ccc(OC)cc2[N+](=O)[O-])=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873419999 FSKIJCKJTOTOQD-UHFFFAOYSA-N 504.543 4.239 10 10 KICE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1O 2294118751 XBGZREUHCIRJOJ-UHFFFAOYSA-N 526.714 4.024 10 10 KICE Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(Cl)cc3Cl)C2=O)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 2313543660 ZYPSZZDWTYQAFT-UHFFFAOYSA-N 542.331 4.464 10 10 KICE CCOCCCN1C(=O)C(=Cc2c(NCCc3ccccc3)nc3ccc(C)cn3c2=O)SC1=S 2314413883 KIEXJKWELBUSQF-UHFFFAOYSA-N 508.669 4.285 10 10 KICE CCn1c(N2CCN(Cc3ccccc3)CC2)c(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)c(C)c(C#N)c1=O 110521674 GAMMKERXOPLMHZ-BWAHOGKJSA-N 593.775 4.217 10 10 KICE COc1ccc(/C=C2/SC(Nc3nnc(SCC(=O)Nc4ccc(F)cc4)s3)=NC2=O)cc1 206386126 WQDDYQFJZLBILE-MHWRWJLKSA-N 501.590 4.499 10 10 KICE Cc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC(C)C)=C(N)O2 1864009569 BCQIAUQROVFQPM-SANMLTNESA-N 528.609 4.371 10 10 KICE COCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)cc2)[C@H]1c1ccc(O)c(O)c1 1864016274 LABLAVGVMAKNSN-HSZRJFAPSA-N 547.011 4.120 10 10 KICE CCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC(C)C)=C(N)O2 1864019760 QGZUPAGDNNKGLS-JOCHJYFZSA-N 527.021 4.125 10 10 KICE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC1)=C(N)O2 1865030098 CGNJEFWUCMHJMT-JOCHJYFZSA-N 509.006 4.266 10 10 KICE CCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C)CC1)=C(N)O2 1865032813 LNFODZGOMGCIJN-XMMPIXPASA-N 502.615 4.167 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3c(C)cc(C)n(-c4ccccc4)c3=O)c3ccccc3)CC2)cc1 1869011893 ZIDPXNLDOCCJBV-SSEXGKCCSA-N 550.659 4.283 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)COc4ccc(Cl)cc4)n(-c4ccccc4)n3)CC2)cc1 1869970067 DRDRNOLHLSZEPN-UHFFFAOYSA-N 519.005 4.273 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccc(Cl)cc3)C(=O)N(CCCN3CCOCC3)C2=O)cc1 1873166849 YZEMEURIZIONQV-UHFFFAOYSA-N 533.072 4.340 10 10 KICE [N-]=[N+]=NCCOCCOCCOCCNC(=O)c1ccc(C(=O)O)c(-c2c3ccc(=N)cc-3oc3cc(N)ccc23)c1 2037597138 PINZKFLGFZOVCZ-UHFFFAOYSA-N 574.594 4.054 10 10 KICE Cc1cccn2c(=O)c(C=C3SC(=S)N(C4CCCC4)C3=O)c(NC[C@H](O)c3ccccc3)nc12 2296547668 YQOYVYGMTBSWRA-FQEVSTJZSA-N 506.653 4.292 10 10 KICE COc1c(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(CCN(C)C(=O)c2ccccc2)cc2c1OCO2 2297639021 RMVYECNSHIISHT-UHFFFAOYSA-N 606.429 4.168 10 10 KICE CCOC(=O)c1ccc(NC(=O)COc2ccc(Br)cc2C=C2SC(=S)NC2=O)cc1 2314835420 HWXASRCWPPFHOZ-UHFFFAOYSA-N 521.414 4.132 10 10 KICE CCCCN1C(=O)/C(=C\c2c(N3CCN(c4ccccc4OC)CC3)nc3ccccn3c2=O)SC1=S 102431324 WMIFYPQRQKRKQP-RELWKKBWSA-N 535.695 4.031 10 10 KICE Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(CCNC(=O)C(c3ccccc3)c3ccccc3)cc2)cc1 1859004409 SZDGDAWKQNSWCD-UHFFFAOYSA-N 529.618 4.237 10 10 KICE Cc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H]1CCCC[C@H]1C)=C(N)O2 1864011979 OIGJPGFVHKKUEA-VEQVNTQVSA-N 506.578 4.180 10 10 KICE CCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCc1ccccc1)=C(N)O2 1864018415 KSLXPUQZIRREKG-SANMLTNESA-N 542.611 4.488 10 10 KICE CCc1ccc([C@H](C)NC(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3CC)[C@@H]2c2ccc(O)c(O)c2)cc1 1864022031 JEPVDNKGOKJZQQ-DJJJIMSYSA-N 516.520 4.467 10 10 KICE CCCC[C@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866872242 XPPARCYCBBKWGA-DFBJGRDBSA-N 523.589 4.129 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3cc(C)n(-c4ccc(Br)cc4)n3)C(C)C)CC2)cc1 1868763244 ZEKWGSQXHPFEEV-VWLOTQADSA-N 554.489 4.055 10 10 KICE CC[C@H](CC(=O)N[C@@H](C)C(=O)N1CCN(c2ccc(OC)cc2)CC1)c1cc(Br)ccc1OC 1868964393 QLSOFRWCBXERGC-RBUKOAKNSA-N 532.479 4.204 10 10 KICE CCn1cc(OCc2cc(=O)oc3ccc(C)cc23)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870766668 IALLWJZHNZIROB-UHFFFAOYSA-N 515.610 4.193 10 10 KICE COc1ccc(Nc2nc(=NCc3ccc(F)cc3)nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]2)cc1 1871561173 ZOSZPQWZXRJOBZ-UHFFFAOYSA-N 515.593 4.132 10 10 KICE COc1ccc(OCCN2C(=O)C(NCc3cccnc3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873164011 HZQYYVOTIJJREG-UHFFFAOYSA-N 522.605 4.446 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3nc4ccccc4[nH]3)C(=O)N(C[C@H]3CCCO3)C2=O)cc1 1873169377 LXHREYSQDORBRG-HSZRJFAPSA-N 509.610 4.062 10 10 KICE Cc1c(NC(=O)[C@@H](C(C)C)N2C(=O)C(=Cc3ccccc3)SC2=S)c(=O)n(-c2ccccc2)n1C 2053610895 BHTAZEAYOUZASM-JOCHJYFZSA-N 506.653 4.349 10 10 KICE COC(=O)c1cccc(-n2c(C)cc(C=C3C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)c2C)c1 2313559558 DLUCSZRAHREJIV-UHFFFAOYSA-N 522.355 4.310 10 10 KICE CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)ccc1OCCC(=O)O 2314933875 DLDISFIBPBARHD-UHFFFAOYSA-N 506.989 4.138 10 10 KICE CCC[C@H](NC(=O)C=C(C)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 2331916279 ZQROQMXRVXSYLL-SANMLTNESA-N 573.671 4.039 10 10 KICE CN(C)S(=O)(=O)n1cc(/C=C(/NC(=O)c2ccccc2Cl)C(=O)N2CCc3ccccc32)c2ccccc21 33356802 SSYOGRNOANZROZ-JJIBRWJFSA-N 549.052 4.309 10 10 KICE COc1cc(/C=C2/SC(=S)N(CC(=O)N3C[C@H](C)O[C@@H](C)C3)C2=O)ccc1OC1CCCCC1 211941910 YGMZIULLTCAZFK-QSBCOWLBSA-N 504.674 4.244 10 10 KICE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC)=C(N)O2 1864011197 ROBOCPNROCCHDD-OAQYLSRUSA-N 547.439 4.390 10 10 KICE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCc1ccccc1OC)[C@H]2c1ccc(O)c(O)c1 1864016594 TYJPLLOXIGHHBD-DEOSSOPVSA-N 526.593 4.391 10 10 KICE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCCC1)=C(N)O2 1865025638 BBUKBLIZCHQWBI-HSZRJFAPSA-N 509.006 4.402 10 10 KICE CCCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@@H](C)C1)=C(N)O2 1865029390 MGUAHYMQTWEQEL-CEYNDMKZSA-N 516.642 4.494 10 10 KICE Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCC(Cc3ccccc3)CC1)[C@@H]2c1ccc(O)c(O)c1 1865031643 LGJFZZIXHHUYFI-HXUWFJFHSA-N 528.531 4.026 10 10 KICE CSCC[C@@H](NC(=O)CCCc1ccc2c(c1)OCCO2)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866789296 KPSDYRUQVJDKMX-XMMPIXPASA-N 558.656 4.433 10 10 KICE Cc1cccc(-n2ncc3c(=O)n4c(nc32)S[C@H](CC(=O)NCc2ccc(N3C[C@H]5CC[C@H]3C5)cc2)C4)c1 1892051868 RJHRDAPRPPLWRA-ODGPQVTHSA-N 526.666 4.060 10 10 KICE CC[C@@H](C)N1C(=O)C(=Cc2c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)nc3ccc(C)cn3c2=O)SC1=S 2295838599 HLSUQXBCCVBOGN-LJQANCHMSA-N 577.732 4.054 10 10 KICE CS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(OCc4ccc(Cl)cc4Cl)cc3)C(=O)N=C2S1 2297346064 ZWKRKKLWAJRSHL-UHFFFAOYSA-N 509.396 4.194 10 10 KICE COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(C[C@H]2CCCO2)C1=O 2314508321 OTABAPSIPKJNIH-MRXNPFEDSA-N 509.609 4.184 10 10 KICE CCOc1cc(C=C2SC(=S)N([C@H](C(=O)O)c3ccccc3)C2=O)ccc1OCC(=O)N(CC)CC 2314769661 TZCVXSRXEIIGTL-QHCPKHFHSA-N 528.652 4.360 10 10 KICE CCOC(=O)c1c(CSc2ccccc2)n(C)c2cc(Br)c(O)c(CN3CCN(CCOCCO)CC3)c12 102704507 LUOXSAOUEWBVQE-UHFFFAOYSA-N 606.583 4.242 10 10 KICE COc1ccc(N2CCN(C(=O)c3ccc(S(=O)(=O)Cc4ccccc4Cl)c([N+](=O)[O-])c3)CC2)cc1 102729349 GEGFLSQLSHXSAD-UHFFFAOYSA-N 530.002 4.193 10 10 KICE CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(sc(=Cc3ccc(N(CC)CC)cc3O)c2=O)=N1 1084404891 QAMUIWOJBVURCN-NDEPHWFRSA-N 579.719 4.148 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@@H]1c1cc(OC)ccc1OC 1084642627 JWRWVRLTTULFOP-MUUNZHRXSA-N 602.669 4.131 10 10 KICE CCN(CC)C(=O)COc1ccc(/C=C2/SC(=S)N(C[C@H](c3ccc(OC)cc3)N(C)C)C2=O)cc1 1858593880 BSVIGWZIXQIAOM-DIVQNALZSA-N 527.712 4.447 10 10 KICE CCCn1nc(CC)c2c1OC(N)=C(C(=O)NCc1ccccc1OC(C)(C)C)[C@@H]2c1ccc(O)c(O)c1 1864022838 YREGUVWHTXFQAA-HSZRJFAPSA-N 520.630 4.455 10 10 KICE CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](C)C1)=C(N)O2 1865028914 AUEDAFJEOKSPNW-MHECFPHRSA-N 502.615 4.248 10 10 KICE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(c3ccccc3F)CC1)=C(N)O2 1865030574 MKMOQLZNXHOGEJ-RUZDIDTESA-N 549.647 4.085 10 10 KICE CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOc3ccccc31)=C(N)O2 1865032528 FCYZUKKRKOTQLK-RUZDIDTESA-N 524.577 4.275 10 10 KICE CCCNC(=O)COc1cn(CCCn2ccnc2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871136569 HEUIJWYOAHODBH-UHFFFAOYSA-N 514.630 4.396 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)c3ccc(F)c(F)c3F)CC2)cc1 1874643154 UOSJQEQZCYSKKN-RUZDIDTESA-N 536.554 4.284 10 10 KICE CC[C@H](C)c1ccc(-n2c(C)cc(C=C3C(=N)N4N=C(CC(=O)N5CCOCC5)SC4=NC3=O)c2C)cc1 2297468393 OZFZFOVRZJHEEP-KRWDZBQOSA-N 532.670 4.476 10 10 KICE CCOc1ccc(C=C2C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc1I 2313561022 PWQMRZNSZZVVKT-UHFFFAOYSA-N 541.139 4.119 10 10 KICE CCOC(=O)CCCCCN1C(=O)C(=Cc2cc(Br)c(OCC(=O)N3CCOCC3)c(OCC)c2)SC1=S 2314754881 GMDIETFIFNOQPL-UHFFFAOYSA-N 629.595 4.410 10 10 KICE CCOc1cc(C=C2SC(=S)N(CCCC(=O)O)C2=O)cc(Br)c1OCC(=O)N(CC)CC 2314760867 MEWFKNVTCCYMCC-UHFFFAOYSA-N 559.504 4.161 10 10 KICE COc1ccc(OC)c(C=CC(=O)N2CCC(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)CC2)c1 2322071109 VNMFTPGZFVQATG-UHFFFAOYSA-N 524.573 4.370 10 10 KICE COc1ccc(N2CCN(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)N3Cc4ccccc4C3=O)CC2)cc1 20561284 IPMFCMCAKAYWIU-SANMLTNESA-N 515.610 4.148 10 10 KICE CCOc1ccc(N2C(=O)N=C(O)/C(=C/c3cn(CC(=O)NCc4ccco4)c4ccccc34)C2=O)cc1 33932897 LKNFSFJVVXNVFF-UCQKPKSFSA-N 512.522 4.456 10 10 KICE CCOc1cc(/C=C2/SC(=S)N(CCCCCC(=O)O)C2=O)ccc1OCC(=O)N(CC)CC 40927844 XYQYNASVGXRUPT-HMMYKYKNSA-N 508.662 4.179 10 10 KICE CN(C)c1ccc(/C=c2\s/c(=C\S(=O)(=O)c3ccc(Cl)cc3)n(CC(=O)c3ccc(Br)cc3)c2=O)cc1 96021870 OQJOWCBEZBJCJU-ZJBVHHKSSA-N 617.974 4.315 10 10 KICE COC(=O)c1ccc(C(=O)OC)c(N/C(C)=C2/C(=O)N(c3ccc(OC)cc3)N=C2c2ccc(OC)cc2)c1 205970408 LTEUMMODEBVQJD-KOEQRZSOSA-N 529.549 4.414 10 10 KICE NS(=O)(=O)c1ccc(N2C(=O)C(O)=C(c3ccc(Cl)c(Cl)c3)[C@@H]2c2ccc(O)c(O)c2)cc1 526314148 OKBJTJNWOZVWPV-FQEVSTJZSA-N 507.351 4.109 10 10 KICE CC(C)CNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2)[C@H]1c1ccc(O)c(O)c1 1864016541 RTBCSCUTDAHRHT-XMMPIXPASA-N 510.594 4.476 10 10 KICE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC(C)C)=C(N)O2 1864019753 QDWGNCAQNNJGFG-VWLOTQADSA-N 534.657 4.148 10 10 KICE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4Cc4ccccc4F)[C@@H]3c3ccco3)CC2)cc1 1865305145 LHINCODUCHUJAM-SANMLTNESA-N 543.599 4.024 10 10 KICE CCCOc1ccccc1[C@H]1C(C(=O)N2CCN(c3ccc(OC)cc3)CC2)=C(N)Oc2c1c(CC)nn2CC 1865452036 KCZNFGSDVNUOHK-AREMUKBSSA-N 545.684 4.306 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCN(CCCc5cccc(F)c5)CC4)nc(C)n3)CC2)cc1 1869293450 BSKFUSYSPRXPQP-UHFFFAOYSA-N 504.654 4.014 10 10 KICE CCCOc1cn(C[C@@H](O)c2ccc(Cl)cc2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870657117 HCXYJRHHQDDJKR-HHHXNRCGSA-N 512.050 4.355 10 10 KICE Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCCCCCN=[N+]=[N-])C(C)(C)C)cc1 2080389358 AQQCBOMPDQRUHN-UWPQIUOOSA-N 657.838 4.131 10 10 KICE O=C1/C(=C\c2c(NC3CCCC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccc2c(c1)OCO2 33726911 JCSKDLXQSBFTKM-UDWIEESQSA-N 506.609 4.179 10 10 KICE CCn1c(N2CCN(c3ccc(F)cc3)CC2)c(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)c(C)c(C#N)c1=O 110523392 VEIFURNETQAXCL-ULJHMMPZSA-N 597.738 4.360 10 10 KICE Cc1cc(Br)c(N2C(=O)NC(=O)/C(=C\c3c(C)nn(-c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3C)C2=O)cc1C 1084361559 TWKXRWFWTINZKY-LICLKQGHSA-N 583.355 4.351 10 10 KICE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCC(C)C)=C(N)O2 1864012735 IAFPPOFYVBVEPQ-QFIPXVFZSA-N 511.022 4.415 10 10 KICE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccn1)=C(N)O2 1864013149 QXZGUCFLDNQEAF-XMMPIXPASA-N 546.027 4.355 10 10 KICE CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(F)cc1)=C(N)O2 1864017756 UPHZABFGKGSLOQ-DEOSSOPVSA-N 514.557 4.304 10 10 KICE CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(CCC)nn2-c2cccc(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1865029587 QUEZNTKQRWEPGP-QHCPKHFHSA-N 541.048 4.205 10 10 KICE CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1cn(C)c2ccccc12 1865361186 XRAPDWDVRVEZNW-HHHXNRCGSA-N 540.668 4.145 10 10 KICE O=C(Cc1ccc2c(c1)OCCO2)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866606323 DTBJMWYWLBUOSZ-SANMLTNESA-N 546.579 4.142 10 10 KICE COCCN1[C@@H](C)CN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(-c3ccccc3)n2)C[C@@H]1C 1869203883 RRVDYISSUDJPDN-ZEQRLZLVSA-N 516.690 4.024 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)C4=Cc5ccccc5OC4)n(-c4ccccc4)n3)CC2)cc1 1869970286 HOAFWSHTXWLSIJ-UHFFFAOYSA-N 508.582 4.017 10 10 KICE COc1ccc(N2CCN(c3nc(=NCCc4ccccc4)[nH]c(=Nc4cccc(C)c4C)[nH]3)CC2)cc1 1871591175 OPKJFJPPNGPOFL-UHFFFAOYSA-N 509.658 4.066 10 10 KICE COC(=O)C1CCC(CN2C(=O)C(NCCCn3ccnc3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)CC1 1873167773 WZGZTAPLUJERQA-UHFFFAOYSA-N 543.668 4.030 10 10 KICE O=C1N=C(N2CCN(c3ccccc3)CC2)SC1=Cc1ccccc1OS(=O)(=O)c1ccccc1 2295976533 FVHOZCUANIPBSC-UHFFFAOYSA-N 505.621 4.247 10 10 KICE CCc1nnc(NS(=O)(=O)c2ccc(NC=C3C(=O)N(c4ccc(Cl)c(OC)c4)N=C3C)cc2)s1 2297465622 SZDILFPMAGGGBT-UHFFFAOYSA-N 533.035 4.282 10 10 KICE CN1C(=O)C(=Cc2cn(Cc3ccc(F)cc3)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 2297508873 UHYTWPWTCOBPCO-UHFFFAOYSA-N 531.609 4.367 10 10 KICE CCOC(=O)CCCCCN1C(=O)C(=Cc2ccc(OCC(=O)N(CC)CC)c(OC)c2)SC1=S 2314754773 BESIMEXCFWPDTK-UHFFFAOYSA-N 522.689 4.267 10 10 KICE O=C(O)COc1ccccc1C=C1SC(=S)N(NC(=O)c2ccc(OCc3ccccc3)cc2)C1=O 2314931800 QVEBOBSNEMXQBG-UHFFFAOYSA-N 520.588 4.275 10 10 KICE Cc1cccc(-n2c(=C3C(=O)N(c4ccccc4)N=C3NC(=O)c3ccccc3)sc(=C3Sc4ccccc4N3C)c2=O)c1 254820285 WMWLUXGRMNRORH-UHFFFAOYSA-N 615.740 4.456 10 10 KICE COC(=O)c1c(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(Cc4ccccc4)C3=O)c2C)sc2c1CCCC2 1084043653 VSYWWAYSTMAUMN-STZFKDTASA-N 517.607 4.483 10 10 KICE Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(Cl)cc1)=C(N)O2 1864008653 PBNQEEDICLSBBG-XMMPIXPASA-N 516.985 4.315 10 10 KICE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCCc2cccs2)[C@H]3c2ccc(O)c(O)c2)cc1 1864009067 YQHVUODXRHLTLL-QHCPKHFHSA-N 502.596 4.015 10 10 KICE COc1ccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3-c3cccc(Cl)c3)[C@H]2c2ccc(O)c(O)c2)cc1 1864009085 YYJBVEKXXQZUDC-XMMPIXPASA-N 532.984 4.265 10 10 KICE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NCc1ccc(F)cc1)[C@H]2c1ccc(O)c(O)c1 1864017745 UFTSMOOAOKZXEY-QHCPKHFHSA-N 530.556 4.140 10 10 KICE CCc1ccccc1N=c1[nH]c(N2CCN(c3ccc(OC)cc3)CC2)nc(=NCc2ccc(F)cc2)[nH]1 1871558354 ZSHGKUWCJAJFQF-UHFFFAOYSA-N 513.621 4.108 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccc(C(=O)OC(C)C)cc3)C(=O)N(CCCN(C)C)C2=O)cc1 1873165615 RSLCCDPULXZCBN-UHFFFAOYSA-N 542.680 4.481 10 10 KICE CCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCc3ccc(OC)cc3)ncnc21 1875207249 SIGGIFGFKLISLT-UHFFFAOYSA-N 514.630 4.433 10 10 KICE O=C1C(=Cc2c(N3CCN(c4cccc(Cl)c4)CC3)nc3ccccn3c2=O)SC(=S)N1C[C@H]1CCCO1 2296706731 MCKVUEBFXRSXNV-HXUWFJFHSA-N 568.124 4.055 10 10 KICE COc1cccc(C=C2SC(=S)N(CCCC(=O)NCCc3ccc(OC)c(OC)c3)C2=O)c1 2297500654 LSMQRUYEHLIUAM-UHFFFAOYSA-N 500.642 4.053 10 10 KICE CCOC(=O)CCCCCN1C(=O)C(=Cc2ccc(OCC(=O)N3CCCCC3)c(OC)c2)SC1=S 2314755213 YVBNFNYKXTYUDB-UHFFFAOYSA-N 534.700 4.411 10 10 KICE COc1cc(/N=N/c2cc(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(OS(=O)(=O)c4ccccc4)c23)c(C)cc1N 100048980 QEYCCMMMEKIJFH-CYYJNZCTSA-N 607.644 4.416 10 10 KICE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C4CCCC4)C3=O)c(N3CCN(Cc4ccccc4)CC3)nc12 100884370 OSXDOBCZNXAIDE-HKOYGPOVSA-N 545.734 4.469 10 10 KICE CCOCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2N2CCN(c3ccc(F)cc3)CC2)SC1=S 110523400 TUXASQBBHLEBNF-ULJHMMPZSA-N 569.728 4.142 10 10 KICE C[C@@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3/SC(=S)NC3=O)c2)C1 213224696 QPEQYPWGLISCHI-FEMWLQECSA-N 524.693 4.449 10 10 KICE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@@H](C)C1)=C(N)O2 1865029569 QMBOLNJVUNQVKU-FUMQJTLXSA-N 532.641 4.444 10 10 KICE NC1=C(C(=O)N2CCCC2)[C@@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(Cc3ccccc3F)c2O1 1865031666 LQONFTDGYBHEPU-DEOSSOPVSA-N 526.568 4.466 10 10 KICE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4-c4ccc(Cl)cc4)[C@H]3c3ccco3)CC2)cc1 1865303536 JNTYFBUXOSQAKW-RUZDIDTESA-N 546.027 4.479 10 10 KICE CN(C)[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1 1866705336 VARPTJFGBLLJHL-YTMVLYRLSA-N 547.611 4.137 10 10 KICE COCCN1[C@@H](C)CN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(-c3ccc(C)cc3)n2)C[C@H]1C 1869164136 AIZWITFYTMBFHB-PLQXJYEYSA-N 530.717 4.333 10 10 KICE COCCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCc3ccc(F)cc3)ncnc21 1875221620 YEEGJWVCGHDCPK-UHFFFAOYSA-N 532.620 4.190 10 10 KICE CCN(CCc1c(C=C2C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)[nH]c2ccccc12)C(C)=O 2296307102 WAQKRZZHZDOTCS-UHFFFAOYSA-N 512.488 4.264 10 10 KICE CCOc1cc(C=C2C(=N)N3N=C(S(=O)(=O)CC)SC3=NC2=O)ccc1O[C@H](C)c1ccccc1 2297346239 OUECNPFFKXDSID-OAHLLOKOSA-N 512.613 4.237 10 10 KICE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C3SC(=S)N(CCS(=O)(=O)O)C3=O)c2)C1 2314475988 GYMFOQBPSYYWEZ-WOJBJXKFSA-N 646.838 4.295 10 10 KICE CCN(CC)C(=O)COc1ccc(/C=C2/SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)cc1OC 101744272 LADZTFLVGULUCV-UDWIEESQSA-N 534.059 4.142 10 10 KICE O=C1[C@@H]2[C@@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@H]2C(=O)N1c1ccc(Br)cc1 106597526 DSJBJCIWKMIGGD-PWRODBHTSA-N 502.320 4.144 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 252672347 PYOWSCZPAKVNMI-NDEPHWFRSA-N 555.656 4.243 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@H]1c1ccc(C)cc1 254685713 MJODOAWPBIRXCP-MHZLTWQESA-N 556.644 4.422 10 10 KICE COC(=O)c1cc(C(=O)OC)cc(N2C(=O)C(O)=C(c3ccc(OC)cc3)[C@H]2c2ccc(N(C)C)cc2)c1 526286106 HISCEZWKFKRFSV-RUZDIDTESA-N 516.550 4.392 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)CCc3ccc(C)cc3)CC2)cc1 1861939484 QNMPQUZOEJIOTO-MUUNZHRXSA-N 503.618 4.152 10 10 KICE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccnc1)=C(N)O2 1864012564 DDBNQXDKYBMAFN-RUZDIDTESA-N 525.609 4.010 10 10 KICE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCc1cccs1)[C@@H]2c1ccc(O)c(O)c1 1864016633 UKBNYVBPWKRJGN-OAQYLSRUSA-N 502.596 4.096 10 10 KICE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCCO)=C(N)O2 1864017695 RWZLEJMJGBDZIN-OAQYLSRUSA-N 547.439 4.126 10 10 KICE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCC1)=C(N)O2 1865034858 GKDZTRVNTGVAFI-JOCHJYFZSA-N 509.006 4.266 10 10 KICE CC[C@H](NC(=O)c1ccc2nc(C)c(C)nc2c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867683756 AMYNGMRLNQXPHZ-LSYYVWMOSA-N 516.690 4.164 10 10 KICE COc1ccc(N2CCN(c3nc(=NCc4ccccc4Cl)[nH]c(=Nc4cccc(C)c4)[nH]3)CC2)cc1 1871649708 SKRFLOPBNZLODC-UHFFFAOYSA-N 516.049 4.368 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)Cc3ccc(Cl)cc3)CC2)cc1 1874642757 MOMKYEPXYAVDKG-MUUNZHRXSA-N 531.056 4.449 10 10 KICE [N-]=[N+]=N[C@@H]1CCN(C(=O)c2cc(I)cc(I)c2I)C1 1912170317 VRDNYNNAWNPOFZ-SSDOTTSWSA-N 593.932 4.025 10 10 KICE Cc1ccc(CN2C(=O)C(=Cc3c(NC[C@H]4CCCO4)nc4ccc(C)cn4c3=O)SC2=S)cc1 2296544466 JRTAISSMEZCNOP-LJQANCHMSA-N 506.653 4.304 10 10 KICE CCC(=CC(=O)N[C@H](C)C(=O)N1CCN(c2ccc(OC)cc2)CC1)c1cc(Br)ccc1OC 2331512717 JVDVTHWLGCUQHR-GOSISDBHSA-N 530.463 4.113 10 10 KICE CCCC[C@H](NC(=O)C=C(C)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 2331919545 FJLVZXHIJBHONF-MHZLTWQESA-N 587.698 4.429 10 10 KICE CC(C)(C)OC(=O)CN(CCN(CC(=O)OC(C)(C)C)[C@@H](Cc1ccc(N)cc1)C(=O)OC(C)(C)C)CC(=O)OC(C)(C)C 103652824 PNAJJMLCNYTZDD-VWLOTQADSA-N 621.816 4.151 10 10 KICE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CC1)=C(N)O2 1864017726 SWCDVFIXNGEVBY-IBGZPJMESA-N 501.370 4.126 10 10 KICE CCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1C)=C(N)O2 1865033358 XYWRZYZPOUEMTL-HOYKHHGWSA-N 502.615 4.309 10 10 KICE COc1ccc(CN2C(=O)c3ccc(C(=O)Nc4ccc(Br)cc4C(=O)O)cc3C2=O)cc1 1865878698 PGMGVPRXEQNENS-UHFFFAOYSA-N 509.312 4.204 10 10 KICE COCCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCC(c3nc(C)n(C)n3)CC2)n1 1868254314 LDWWLCNJSUVYOT-UHFFFAOYSA-N 537.624 4.005 10 10 KICE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4cccc(F)c4)cn3C[C@@H]3CCCO3)CC2)cc1 1870615083 PBINOXBPIDNZNU-MHZLTWQESA-N 507.606 4.076 10 10 KICE C[C@@H](O)[C@@H](C(=O)O)N1C(=O)C(=Cc2cn(CCOc3ccc(Cl)cc3)c3ccccc23)SC1=S 2318683325 BXKQZEBBEMYYJH-SZNDQCEHSA-N 517.028 4.409 10 10 KICE CN(C)c1ccc([C@@H]2Nc3ccc(Br)cc3C(=O)N2NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 39920688 GPTFPOQTLPEZIZ-OAQYLSRUSA-N 510.348 4.335 10 10 KICE Cc1c(N2C(=O)/C(=C\c3c(N4C[C@@H](C)C[C@@H](C)C4)nc4ccccn4c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C 100885937 PHSRBAIZOJWDLY-NLHLISGVSA-N 586.743 4.380 10 10 KICE Cc1ccc(CN(C(=O)CCN2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)[C@H]2CCS(=O)(=O)C2)o1 101267023 MUIAFDYKXFNACK-HRVJUDJTSA-N 539.100 4.049 10 10 KICE COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc([N+](=O)[O-])c1O 1084141254 RZPBVZPAUHNEHW-NKVSQWTQSA-N 517.538 4.443 10 10 KICE CCSc1ccc(Cl)cc1CC(=O)N1CCC[C@H]1C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861908593 OKYODABWXZPREU-QHCPKHFHSA-N 502.080 4.343 10 10 KICE CCCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccn1)=C(N)O2 1864012886 LLDFQCCEZKSKQK-DEOSSOPVSA-N 546.027 4.355 10 10 KICE Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)NC2CCCC2)[C@@H]3c2ccc(O)c(O)c2)cc1 1864014843 DOKGCMWOALUWMJ-LJQANCHMSA-N 514.504 4.364 10 10 KICE CC[C@H](NC(=O)[C@@H]1CCCN1Cc1ccccc1F)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866921118 XSJQHROEAWIANN-ZCYQVOJMSA-N 513.569 4.099 10 10 KICE CCOC(=O)Oc1ccc(C(=O)N[C@H](CCSC)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867303807 QKRBQHOIVNTTSY-KAYWLYCHSA-N 570.756 4.483 10 10 KICE CC(=O)Nc1cccc(C(=O)N[C@H](Cc2ccc(OC(C)=O)cc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867641335 VWHWBVQPLYCVMI-CZNDPXEESA-N 613.759 4.321 10 10 KICE CCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCN(c3ccc(OC)cc3)CC2)n1 1867976074 BBRUPOPJAPNPCO-UHFFFAOYSA-N 502.663 4.100 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)[C@@H](C)Oc4ccc(O)cc4)n(-c4ccc(C)cc4)n3)CC2)cc1 1869969490 DAZGDYOVEPRITJ-OAQYLSRUSA-N 528.613 4.023 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)COc4ccc(Cl)c(C)c4)n(C(C)(C)C)n3)CC2)cc1 1869970301 HVRXMWMVAXPHHG-UHFFFAOYSA-N 513.042 4.348 10 10 KICE COc1ccc(N2CCN(c3nc(=NCc4ccc(Cl)cc4)[nH]c(=Nc4ccccc4)[nH]3)CC2)cc1 1871601260 CREMAIUJDGZMAV-UHFFFAOYSA-N 502.022 4.060 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(N[C@H]3CCCC[C@H]3C)C(=O)N(CCCN3CCOCC3)C2=O)cc1 1873169633 DCPIWXSEYZYOPJ-RLWLMLJZSA-N 504.675 4.065 10 10 KICE COc1cc(C=C2C(=O)NC(=O)N(c3cc(C)c(C)cc3Br)C2=O)cc(I)c1O 2313548713 CQVWVVMEUFUTQZ-UHFFFAOYSA-N 571.165 4.051 10 10 KICE Cc1ccsc1CN(C(=O)CCCN1C(=O)C(=Cc2cccs2)SC1=S)[C@@H]1CCS(=O)(=O)C1 2314600231 SZOLFGXGTPAOKL-MRXNPFEDSA-N 540.779 4.315 10 10 KICE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(NC[C@H](O)c3ccccc3)nc12 101012834 MCZGMDKTRVWJKE-IOCYEQIYSA-N 624.748 4.352 10 10 KICE Cc1c(N2C(=O)/C(=C\c3c(N4CCN(c5ccc(F)cc5)CC4)nc4ccccn4c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C 150432345 RWYGZVOBTLFYMS-LHLOQNFPSA-N 653.765 4.364 10 10 KICE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3\SC(=S)N(CCS(=O)(=O)O)C3=O)c2)C1 150451530 GYMFOQBPSYYWEZ-JRWMAURKSA-N 646.838 4.295 10 10 KICE COc1ccc(N2CCN(C(=O)c3cc(-c4ccc5c(c4)OCCO5)n(Cc4ccccc4)n3)CC2)cc1 1862362283 AJTZJDBFINDZKX-UHFFFAOYSA-N 510.594 4.341 10 10 KICE Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1Cl)=C(N)O2 1864007882 WWNXLBHNUSTDKY-HSZRJFAPSA-N 502.958 4.256 10 10 KICE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)NCc2ccccc2F)[C@@H]3c2ccc(O)c(O)c2)cc1 1864009092 ZDDKYXRTWUPEHD-RUZDIDTESA-N 514.557 4.110 10 10 KICE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(CC)CC)=C(N)O2 1864011234 SBHOMKUXAJCBSB-QHCPKHFHSA-N 540.064 4.042 10 10 KICE CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCc1ccccn1)[C@H]2c1ccc(O)c(O)c1 1864016457 PNEUHROFLHUFLN-QHCPKHFHSA-N 511.582 4.023 10 10 KICE CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(F)cc1)=C(N)O2 1864017502 NVWAXRBBKWSMRJ-DEOSSOPVSA-N 514.557 4.039 10 10 KICE CCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1)=C(N)O2 1864019746 QAUVMLVNFMMWCS-RUZDIDTESA-N 510.594 4.224 10 10 KICE Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)N[C@H](c4ccc(N(C)C)cc4)c4nccn4C)cc3C2=O)c1 1865882685 AEJGHXIMPDIBRY-AREMUKBSSA-N 507.594 4.423 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCN(C(=O)CCN5CCOCC5)CC4)nc(-c4ccc(C(C)(C)C)cc4)n3)CC2)cc1 1869349641 OJRNDHHOJZVZLL-UHFFFAOYSA-N 627.834 4.147 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)c4ccc(OC)c(OC)c4)n(-c4ccc(C)cc4)n3)CC2)cc1 1869970007 LROGPBKYCZHTCN-UHFFFAOYSA-N 528.613 4.180 10 10 KICE COc1ccc(N2CCN(c3nc(=NCc4cccc(C)c4)[nH]c(=Nc4cc(C)cc(C)c4)[nH]3)CC2)cc1 1871550595 UZLLWJARRHUKRN-UHFFFAOYSA-N 509.658 4.332 10 10 KICE COc1ccc(C=C2C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1CN1C(=O)c2ccccc2C1=O 2296025086 GZBVZNPBRVBKJR-UHFFFAOYSA-N 539.613 4.446 10 10 KICE CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OCCCOc4cc(C)cc(C)c4)cc3)C(=N)N21 2297345532 FPPVOKFRVAQQLD-UHFFFAOYSA-N 526.640 4.163 10 10 KICE COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c1C 2313561020 PUGXYGIITZHLQG-UHFFFAOYSA-N 539.342 4.440 10 10 KICE CCCn1c(N2CCCCCC2)c(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c(C)c(C#N)c1=O 39990212 OHLVPLHWLFAWCY-SBGXLDQMSA-N 500.690 4.199 10 10 KICE CN(C)c1ccc([C@@H]2CC(c3ccc(Br)cc3)=NN2C2=NC(=O)[C@H](CC(=O)O)S2)cc1 72413111 PNHNYXOGCNXLBJ-OALUTQOASA-N 501.406 4.139 10 10 KICE CC(C)CS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(-c4ccc(Br)cc4)o3)C(=O)N=C2S1 101399569 IPNRPUSMVPUJFF-WKWHHHHXSA-N 521.418 4.357 10 10 KICE Cc1cc(/C=C2/C(=O)N(C)c3ccc(S(=O)(=O)N4CCOCC4)cc32)c(C)n1-c1ccc(N2CCOCC2)c(Br)c1 150624689 BUVBOXQISWBIEO-YZSQISJMSA-N 641.588 4.231 10 10 KICE CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(N(C)C)c(Br)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 252669313 HCVARBMPIHITMG-NDEPHWFRSA-N 632.536 4.493 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OCc4ccccc4)cc3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 252671650 NWDPSNJBWIEXRH-LJAQVGFWSA-N 553.684 4.443 10 10 KICE COc1ccccc1CNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccccc2Cl)[C@@H]1c1ccc(O)c(O)c1 1864011258 DVXNYCHBCWAMGE-VWLOTQADSA-N 547.011 4.324 10 10 KICE Cc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccs1)=C(N)O2 1864011731 KOXRCWAEDTVFGA-QFIPXVFZSA-N 523.014 4.377 10 10 KICE CCCCCCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2CC)[C@@H]1c1ccc(O)c(O)c1 1864017041 CYSKISPIIXBGKF-QFIPXVFZSA-N 506.603 4.381 10 10 KICE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1C[C@@H](C)C[C@@H](C)C1)[C@@H]2c1ccc(O)c(O)c1 1865033531 BRBGZSHUGDNTGA-QWQRMKEZSA-N 508.541 4.168 10 10 KICE Cc1cc(C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)ccc1[N+](=O)[O-] 1867871192 LHFWJMHWNXBDBQ-DGPALRBDSA-N 573.694 4.359 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCC(NC(=O)OC(C)(C)C)CC4)nc(-c4cccnc4)n3)CC2)cc1 1868003651 RAJCPHGBBHDVED-UHFFFAOYSA-N 545.688 4.367 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(OC(C)=O)cc3)NC(=O)c3sc(C)nc3C(C)C)CC2)cc1 1868976187 YIUXEFHRLHLVSN-AREMUKBSSA-N 564.708 4.199 10 10 KICE COCCN1[C@@H](C)CN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(-c3ccccc3)n2)C[C@H]1C 1869203882 RRVDYISSUDJPDN-PSWAGMNNSA-N 516.690 4.024 10 10 KICE COc1ccc(CCn2cc(OCC(C)C)c(=O)cc2CN2CCN(c3ccc(OC)cc3)CC2)cc1 1870435546 KUTRMJYKSYHUHO-UHFFFAOYSA-N 505.659 4.465 10 10 KICE CC(=O)NCCN1C(=O)C(Nc2ccc(OC(F)(F)F)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873421995 ARTOUDITNMEGJK-UHFFFAOYSA-N 526.515 4.321 10 10 KICE COc1ccc(CN2C(=O)C(=Cc3c(NC[C@H]4CCCO4)nc4ccc(C)cn4c3=O)SC2=S)cc1 2296542801 SYVKXEWJRLUBFL-LJQANCHMSA-N 522.652 4.004 10 10 KICE O=C(O)CCCN1C(=O)C(=Cc2c(N3CCC(Cc4ccccc4)CC3)nc3ccccn3c2=O)SC1=S 2296707878 UIAYUHPQABFRMO-UHFFFAOYSA-N 548.690 4.220 10 10 KICE Cc1cccn2c(=O)c(C=C3SC(=S)N(CCCc4ccccc4)C3=O)c(N3CCSCC3)nc12 2297461521 ZICISAJHQDPOAH-UHFFFAOYSA-N 522.721 4.390 10 10 KICE COc1cc(/C=C2/C(=N)N3N=C(c4ccc(C)cc4)SC3=NC2=O)ccc1OS(=O)(=O)c1ccccc1 105919596 HIWYAAWDIXWAFB-ICALIKLASA-N 532.603 4.439 10 10 KICE O=C(CCCN1C(=O)/C(=C\c2ccccc2OC(F)F)SC1=S)Nc1ccc(O)c(C(=O)O)c1 210498262 DVJATCVSYJWBIE-LICLKQGHSA-N 508.524 4.312 10 10 KICE CCOC(=O)[C@](CCCN1C(=O)c2ccccc2C1=O)(N=Nc1cc2c(C)cc(=O)oc2cc1C)C(C)=O 254894717 LSNRJBPBMOIRBV-MUUNZHRXSA-N 517.538 4.461 10 10 KICE CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)c1ccc(OC)cc1)=C(N)O2 1864014081 NBICEROMHCLGQE-MWTRTKDXSA-N 506.603 4.237 10 10 KICE CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(C)c1)=C(N)O2 1864019559 LYZOHYZLKMXEDR-VWLOTQADSA-N 510.594 4.474 10 10 KICE NC1=C(C(=O)N2CCCC2)[C@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(Cc3cccc(F)c3)c2O1 1865031841 PIKOURWNTTYZCI-XMMPIXPASA-N 526.568 4.466 10 10 KICE CCCC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(C(C)C)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867432152 IMDWVXPEBHJSMY-FQLXRVMXSA-N 575.754 4.389 10 10 KICE COc1ccc(N2CCN(c3cc(N(C(C)=O)c4ccccc4N4CCNCC4)nc(Cc4ccccc4)n3)CC2)cc1 1869086164 NQJSHIXZTDUCCM-UHFFFAOYSA-N 577.733 4.497 10 10 KICE C[C@@H](NC(=O)COc1cn(CCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O)c1ccccc1 1870834873 TVLOWHHSJXDUEV-JOCHJYFZSA-N 512.610 4.453 10 10 KICE COc1ccc(N2CCN(S(=O)(=O)c3ccc(OCc4ccc(C(=O)OC(C)C)cc4)cc3)CC2)cc1 1872720390 ARUSTNQVJKKMQD-UHFFFAOYSA-N 524.639 4.350 10 10 KICE COCCN1C(=O)C(NCC2CCC(C(=O)OC(C)C)CC2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873170633 JDUSYCKIMMOHTB-UHFFFAOYSA-N 521.658 4.168 10 10 KICE COc1ccc2[nH]c3c(c2c1)CN(C(=O)CCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)CC3 1874016138 AWRYEGPYVBSNEL-UHFFFAOYSA-N 507.546 4.256 10 10 KICE CC1(C)C=C(CN2CCN(c3ccccc3F)CC2)c2cc(F)cc3c2N1C(=O)C3=C1SC(=S)NC1=O 2297632346 XUVLPJNEGSKGHI-UHFFFAOYSA-N 538.645 4.168 10 10 KICE Cc1c(N2C(=O)C(=Cc3c(N4CCC[C@@H](C)C4)nc4ccccn4c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C 2314413553 APEBNJSBXNOSAA-GOSISDBHSA-N 572.716 4.134 10 10 KICE CCN1C(=O)C(=C2SC(=S)N(NC(=O)c3ccccc3C)C2=O)c2cc(Br)ccc21 2314768712 LMSAGPXEHVCMRE-UHFFFAOYSA-N 502.415 4.040 10 10 KICE Cc1ccc(NC(=O)COc2ccc(Br)cc2C=C2SC(=S)N([C@@H](C)C(=O)O)C2=O)cc1 2314842135 BAAUOHZRCIVMKP-ZDUSSCGKSA-N 535.441 4.449 10 10 KICE COc1ccc(C=CC(=O)N2CCC(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)CC2)cc1OC 2318784188 GKZRWAUJGUBASV-UHFFFAOYSA-N 524.573 4.370 10 10 KICE CC1CCN(C2=NC(=O)/C(=C\c3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N4CCOCC4)c3)S2)CC1 110556652 KIXXBGJNMRDCBH-LGUFXXKBSA-N 577.732 4.262 10 10 KICE CCOC(=O)COc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1OCC 1084012115 UGOMKSSXQBPZMN-SXGWCWSVSA-N 596.228 4.219 10 10 KICE CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H]1CCCC[C@@H]1C)=C(N)O2 1864013552 CGDRERNKZRNYBA-CEXJFXJFSA-N 503.603 4.021 10 10 KICE CC(C)CCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@H]1c1ccc(O)c(O)c1 1864014972 HICSCLWIMWEUCE-GOSISDBHSA-N 502.493 4.159 10 10 KICE CCCCCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2-c2ccccn2)[C@H]1c1ccc(O)c(O)c1 1864017153 HADCBODOAGBUGZ-XMMPIXPASA-N 541.608 4.355 10 10 KICE CC/C(=C\C(=O)N[C@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(Br)ccc1OC 1867115684 LIAFEBHXRTVBCX-HRNYAPDYSA-N 577.431 4.142 10 10 KICE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)Cc3nc(-c4ccc(Cl)cc4)oc3C)CC2)cc1 1868649456 UMBZWBRMGOEKNA-UHFFFAOYSA-N 511.022 4.098 10 10 KICE COc1ccc(-c2nc(CC(=O)N[C@@H](C(=O)N3CCN(c4ccc(OC)cc4)CC3)c3ccccc3)c(C)o2)cc1 1868656821 CGKFGAYFCJTXKB-SSEXGKCCSA-N 554.647 4.416 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)/C(C)=C/c3ccccc3)CC2)cc1 1868746047 BMOWCIFHZOHETK-FUZQEDAYSA-N 501.602 4.314 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)C[C@@H](c3ccccc3)c3nnc(C)o3)c3ccccc3)CC2)cc1 1868891750 QZIBUPNCDKEHKN-LMSSTIIKSA-N 539.636 4.115 10 10 KICE C[C@H](O)Cn1cc(OCC(=O)N2CCCCCC2)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870932199 GMBVWZWGJGEAFE-QFIPXVFZSA-N 504.631 4.366 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCCCc3nc4ccccc4[nH]3)C(=O)N(CCCN(C)C)C2=O)cc1 1873168813 KGARWDNGEUYOFR-UHFFFAOYSA-N 524.669 4.224 10 10 KICE COc1ccc(N2CCN(CCC(=O)c3ccc(OC(=O)Cc4cc(OC)ccc4OC)cc3)CC2)cc1 1874740443 FCFRSSKXBQMOLF-UHFFFAOYSA-N 518.610 4.256 10 10 KICE CCOC(=O)c1c(C(F)(F)F)nn([C@H](c2ccc(OC)cc2O)C2CC2)c1I 2079858321 OEZYAXZWSVDNNS-AWEZNQCLSA-N 510.250 4.397 10 10 KICE CC[C@H](C)N1C(=O)C(=Cc2c(N3CCN(c4ccccc4F)CC3)nc3c(C)cccn3c2=O)SC1=S 2296175672 CXBGFYPFOZDDLG-SFHVURJKSA-N 537.686 4.468 10 10 KICE CCS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(OCCOc4ccc(Cl)c(C)c4)cc3)C(=O)N=C2S1 2297346173 JIVNOIPHODNEKP-UHFFFAOYSA-N 533.031 4.118 10 10 KICE CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)N(CC)c4ccc(S(=O)(=O)N5CCOCC5)cc43)c2C)cc1 8778140 IEUDZXWGAKGBFY-IMRQLAEWSA-N 563.676 4.199 10 10 KICE COc1ccc(N2CCN([C@H](c3cccs3)[C@@H](C)NC(=O)Cc3ccc(OC)c(OC)c3)CC2)cc1 20289498 AEUJOHISSHASTJ-NGOKVRLYSA-N 509.672 4.385 10 10 KICE COc1ccc(CN2C(=O)/C(=C\c3c(C)c(C#N)c(=O)n(C)c3N3CCCCCC3)SC2=S)cc1 33459701 PNKPKUCRXKFQAA-HYARGMPZSA-N 508.669 4.356 10 10 KICE O=C1/C(=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c2ccccc2N1CN1CCOCC1 38204552 ALJSXLUQOGGDRW-HNENSFHCSA-N 506.436 4.406 10 10 KICE CCc1nn2c(=O)cc(COc3ccc(/C=C4\C(=N)N5N=C(C(CC)CC)SC5=NC4=O)cc3)nc2s1 101498269 CRSRAANRQPBYLX-KQHQIWRUSA-N 535.655 4.348 10 10 KICE CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(N(CC)CC)cc3OC)c(=O)n2[C@@H]1c1ccc(OC)cc1OC 150441131 KNKIBWMKGWSLMT-ORVZPOCUSA-N 644.588 4.433 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OCC)c(Br)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 725385780 UTNOTNIQEYPYOG-XMMPIXPASA-N 570.509 4.026 10 10 KICE CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1)=C(N)O2 1864013745 ZQABXJDCOKULIM-VWLOTQADSA-N 528.584 4.445 10 10 KICE CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCc3ccccc3C1)=C(N)O2 1865033136 SPIWSWHESLKLFI-RUZDIDTESA-N 508.578 4.125 10 10 KICE CCOc1ccc(-c2nc(N3CCN(c4ccc(OC)cc4)CC3)cc(N(C)C3CCN(C)CC3)n2)cc1 1867995134 ZYIXQHMRYXBRIS-UHFFFAOYSA-N 516.690 4.408 10 10 KICE CCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCNC(=O)[C@H]2c2ccc(F)cc2)n1 1868275907 YEPPLZNBUDTCJO-HHHXNRCGSA-N 521.552 4.375 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)CCc3ccc4nc(O)c(-c5ccccc5)cc4c3)CC2)cc1 1868829146 VJWCCTWZAMTMCZ-JOCHJYFZSA-N 538.648 4.402 10 10 KICE COc1ccc(CCNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCn3ccnc3)C2=O)cc1 1873166220 HJFKOKZPGRTYJZ-UHFFFAOYSA-N 523.637 4.302 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCCCN3CCOCC3)C(=O)N(Cc3cccc(Cl)c3)C2=O)cc1 1873169179 CWJFKFJAFNVBSD-UHFFFAOYSA-N 533.072 4.340 10 10 KICE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccccc1OCc1ccc(C(=O)O)cc1 2313556485 ARRJOGNOLCYNGI-UHFFFAOYSA-N 521.323 4.393 10 10 KICE Cc1c(N2C(=O)C(=Cc3c(N4C[C@@H](C)C[C@@H](C)C4)nc4ccccn4c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C 2314414091 PHSRBAIZOJWDLY-KDURUIRLSA-N 586.743 4.380 10 10 KICE O=C1NC(=O)N(CCNc2ncc(C(F)(F)F)cc2Cl)C(=O)/C1=C\Nc1cccc(C(F)(F)F)c1 100408016 NIGCRHPEGDVKPT-LCYFTJDESA-N 521.805 4.259 10 10 KICE CC[C@H](C)N1C(=O)/C(=C\c2c(N3CCN(Cc4ccccc4)CC3)nc3ccc(C)cn3c2=O)SC1=S 100884397 PKINDBXGYDXYSB-NGIIGVMLSA-N 533.723 4.325 10 10 KICE COC(=O)c1ccc([C@@H]2N[C@](Cc3c[nH]c4ccccc34)(C(=O)O)[C@H]3C(=O)N(Cc4ccc5c(c4)C(=O)c4ccccc4C5=O)C(=O)[C@@H]32)cc1 150657087 ASHDHOVQRSWQMQ-QSEKVJNNSA-N 667.674 4.242 10 10 KICE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cc(Cl)c(O)c(Br)c1 1084092145 LFOCPTWWSTWQRZ-WZUFQYTHSA-N 500.530 4.237 10 10 KICE COc1cc(CNCCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc(Br)c1O 1860710911 BUMKVKOJAILBJF-UHFFFAOYSA-N 509.356 4.057 10 10 KICE Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NC13CC4CC(CC(C4)C1)C3)[C@H]2c1ccc(O)c(O)c1 1864016100 HPAIWSSEBCIVFB-DOXTXDFGSA-N 512.610 4.278 10 10 KICE Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NC13CC4CC(CC(C4)C1)C3)[C@@H]2c1ccc(O)c(O)c1 1864016101 HPAIWSSEBCIVFB-JSHWAXSASA-N 512.610 4.278 10 10 KICE CCOc1cc(N2CCOCC2)c(OCC)c2c(=O)c(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)c[nH]c12 1866448036 FCOXPCDRKQVCGS-MHZLTWQESA-N 591.753 4.185 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](Cc3ccccn3)c3ccccc3)CC2)cc1 1868665102 URORXOGTJVXVFZ-ZWXJPIIXSA-N 564.686 4.198 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)Cc3nc(-c4ccc5c(c4)OCO5)oc3C)c3ccccc3)CC2)cc1 1868998815 VLTIORUEOBNHJZ-SSEXGKCCSA-N 568.630 4.136 10 10 KICE O=C1/C(=C\c2ccc(F)cc2)SC(=S)N1CCC(=O)N(Cc1ccc(N2CCCCC2)o1)[C@@H]1CCS(=O)(=O)C1 207308503 UUEQVRAZTIKRPE-BQNPTPDXSA-N 591.752 4.216 10 10 KICE CCSc1ccc(Cl)cc1CC(=O)N1CCC[C@@H]1C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861908592 OKYODABWXZPREU-HSZRJFAPSA-N 502.080 4.343 10 10 KICE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCc1ccc(Cl)cc1)[C@H]2c1ccc(O)c(O)c1 1864022802 RDSUBSYOSCQMLO-KRWDZBQOSA-N 522.911 4.040 10 10 KICE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C(F)(F)F)nn4CC(C)C)[C@H]3c3ccco3)CC2)cc1 1865311590 IMDGQLOBXHIVOC-HXUWFJFHSA-N 545.562 4.203 10 10 KICE COc1ccc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1OC 1867314604 YTGPSGJUJWPHRP-VMPREFPWSA-N 574.722 4.160 10 10 KICE CC(=O)Oc1ccc(C[C@H](NC(=O)c2ccc(N(C)C)cc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867885189 GVRUMKIEYJERPZ-LQJZCPKCSA-N 599.776 4.428 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccccc3N3CCOCC3)C(=O)N(C[C@H]3CCCO3)C2=O)cc1 1873419619 MTNUCZXTHDDFST-RUZDIDTESA-N 526.637 4.302 10 10 KICE O=C1NN(c2ccccc2)C(=O)C1=Cc1cc([N+](=O)[O-])ccc1OCCOc1ccc(Br)cc1 2293202318 YQOJKTFMYNMUKF-UHFFFAOYSA-N 524.327 4.277 10 10 KICE COc1ccc(CN2C(=O)C(=Cc3c(NCCCOC(C)C)nc4ccccn4c3=O)SC2=S)cc1 2296546198 TWFIQBBOQIRLEE-UHFFFAOYSA-N 524.668 4.332 10 10 KICE Cc1ccc2nc(N3CCN(c4ccc(F)cc4)CC3)c(C=C3SC(=S)N(Cc4ccco4)C3=O)c(=O)n2c1 2296846726 ZVIQOBRUFPBIEV-UHFFFAOYSA-N 561.664 4.463 10 10 KICE C[C@H]1CN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(CCCc3ccccc3)C2=O)C[C@H](C)O1 2297461534 BRZMSSACCZRKAM-OALUTQOASA-N 520.680 4.142 10 10 KICE CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)NCC4CCC(C(=O)O)CC4)c4ccccc34)[C@H]21 2297718137 QMTQBSUFBVLOGX-DVZOKEKYSA-N 514.626 4.186 10 10 KICE O=C1C(=Cc2ccccc2)SC(=S)N1CCC(=O)N(Cc1ccc(N2CCCCC2)o1)[C@@H]1CCS(=O)(=O)C1 2314828807 LDEUYAKKLYJLMF-OAQYLSRUSA-N 573.762 4.077 10 10 KICE COC(=O)[C@@H]1[C@@H](c2cc(OC)c(OC)c(OC)c2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12 2104478 WNRPPOKGKWYFDD-CYXNTTPDSA-N 525.557 4.319 10 10 KICE biogenic NS(=O)(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C/c3cccc(Oc4ccccc4)c3)SC2=S)cc1 101966578 HWQKHXDDQLSQGD-JWGURIENSA-N 539.660 4.356 10 10 KICE CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c4ccccc4n3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 105537500 HUHUVPVFSLJUEP-XSZPGNIMSA-N 533.053 4.066 10 10 KICE CC(C)N1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCOCC3)c2)SC1=S 110556495 WOBOOLABHHKTTN-XQNSMLJCSA-N 554.719 4.170 10 10 KICE O=C1/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCCC3)c2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 150657785 XCLYGXWXSSCAQZ-QADUPLGGSA-N 628.823 4.102 10 10 KICE CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1ccccc1 254340877 GRIIHXCIHDNGAX-HHHXNRCGSA-N 509.631 4.002 10 10 KICE CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C\c3cc(Br)cc(I)c3O)C2=O)c1 1084089779 MWODXZAWQOWULO-RIYZIHGNSA-N 601.191 4.223 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)/C=C/c3ccccc3Cl)CC2)cc1 1862146045 JSQXUSXWLQVRAW-NDMUKNDCSA-N 504.030 4.438 10 10 KICE Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(Cl)cc1)=C(N)O2 1864007247 IOHDDKNQNOTJIQ-XMMPIXPASA-N 516.985 4.299 10 10 KICE Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1Cl)=C(N)O2 1864008640 OWPPWWCEUGKPEQ-DEOSSOPVSA-N 516.985 4.315 10 10 KICE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)NCc2cccc(C)c2)[C@H]3c2ccc(O)c(O)c2)cc1 1864012195 UIMXWNOYJTVMQA-SANMLTNESA-N 510.594 4.279 10 10 KICE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCc1ccccc1)=C(N)O2 1864013446 BKFNGQFOLQQSJG-XMMPIXPASA-N 504.631 4.346 10 10 KICE CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1nc3ccccc3[nH]1)=C(N)O2 1864019641 ODTFLDRRYJEAOC-VWLOTQADSA-N 536.592 4.042 10 10 KICE CCCOc1ccc([C@H]2C(C(=O)N3CCN(c4ccc(OC)cc4)CC3)=C(N)Oc3c2c(CCC)nn3C)cc1 1865268798 GKZLXBNWBDKKPI-AREMUKBSSA-N 545.684 4.213 10 10 KICE COc1cc(OC)cc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867391554 QAOBIENYMYKCIH-IOWSJCHKSA-N 574.722 4.160 10 10 KICE CCn1cc(OCc2ccc(C(=O)OC(C)C)cc2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870326677 VZDXGDHCEFXDTA-UHFFFAOYSA-N 519.642 4.343 10 10 KICE COc1ccc(N2CCN(S(=O)(=O)c3ccc(OCC(=O)Nc4ccc(C)cc4Cl)cc3)CC2)cc1 1872717186 TWYOOHUANNUCQX-UHFFFAOYSA-N 530.046 4.185 10 10 KICE COC(=O)C1CCC(CN2C(=O)C(NCc3ccccn3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)CC1 1873164077 KXHFPDXVVFHOQV-UHFFFAOYSA-N 526.637 4.338 10 10 KICE CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)Nc3ccc(OC(C)C)cc3)cc1C2=O 1873926584 MXMKDQNRPJDTGR-UHFFFAOYSA-N 501.491 4.352 10 10 KICE COc1cc(C=C2SC(=S)N(CC(=O)Nc3nnc(C)s3)C2=O)ccc1OC1CCCCC1 2314489127 OGSKNUOHNVOBAD-UHFFFAOYSA-N 504.659 4.407 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)C=Cc3ccc(F)cc3)CC2)cc1 2328572949 SRFYKRHALQWYIV-HHHXNRCGSA-N 505.565 4.063 10 10 KICE Cc1c(/C=C2/SC(=S)N(C3CCCC3)C2=O)c(N2CCN(c3ccccc3)CC2)n(C)c(=O)c1C#N 33451585 BBAFOHYVUIPNLM-XQNSMLJCSA-N 519.696 4.036 10 10 KICE Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C2\C(=N)N3N=C(c4cccs4)SC3=NC2=O)cc1 97441794 WIZMEMGUYYMQNX-ARFHJRQPSA-N 508.606 4.492 10 10 KICE CCN1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N([C@@H](C)c3ccccc3)C2=O)CC1 102823395 LRIIOQAVIXFRHU-WXNAFCGMSA-N 519.696 4.107 10 10 KICE CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 103754706 PTIGSHLUUQWACS-FJSZTYFPSA-N 569.683 4.019 10 10 KICE CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(N(CC)CC)cc3O)c(=O)n2[C@@H]1c1ccc(OC)cc1 1084113988 NRVUSCUSXMLANP-SSEXGKCCSA-N 583.710 4.496 10 10 KICE Cc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H]1CCCC[C@@H]1C)=C(N)O2 1864011084 ZAJLEUYNGSJSNQ-VNJOCVIMSA-N 506.578 4.180 10 10 KICE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NCCc1cccs1)[C@H]2c1ccc(O)c(O)c1 1864017549 OTUNIKLYQJSSDJ-QFIPXVFZSA-N 532.622 4.105 10 10 KICE CCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCc1ccccc1)=C(N)O2 1864017598 PRDZFRYTUKDWCE-AREMUKBSSA-N 540.620 4.298 10 10 KICE NC1=C(C(=O)N2CCCc3ccccc32)[C@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3ccccn3)c2O1 1865034065 OELFMIPDIKWQRX-OAQYLSRUSA-N 549.509 4.371 10 10 KICE CCCC[C@H](NC(=O)c1ccc(OC)c(OC)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867307156 FDFUMYGGCKATJD-UIOOFZCWSA-N 524.706 4.402 10 10 KICE CCCC[C@H](NC(=O)c1ccc(OC(C)=O)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867718534 FZOKVBAXBJIOBZ-WUFINQPMSA-N 522.690 4.310 10 10 KICE CCCC[C@@H](NC(=O)Cc1nc(-c2ccc(OC)cc2)oc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868656966 GKWMQGBUDBUTQT-AREMUKBSSA-N 534.657 4.234 10 10 KICE COc1ccc(N2CCN(C(=O)c3cn(-c4ccc(OCc5ccccc5)cc4)c(=O)cc3O)CC2)cc1 1870129877 AMKPBHGHRIPNBX-UHFFFAOYSA-N 511.578 4.093 10 10 KICE CCCCNC(=O)COc1cn(CCc2cnc[nH]2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870954548 UNFMKKPKXIWTBF-UHFFFAOYSA-N 514.630 4.465 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCCCCN(C)C)C(=O)N(CCOc3ccccc3)C2=O)cc1 1873167779 XGVIMWRMTLMKHT-UHFFFAOYSA-N 500.643 4.184 10 10 KICE CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CN1CCN(C=C2C(=O)N(c3ccc(C)c(C)c3)N=C2C)CC1 2297511321 BFMXPVYQWQYTDF-UHFFFAOYSA-N 510.642 4.451 10 10 KICE CC[C@@H](Oc1ccc(C=C2SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1OC)C(=O)O 2314932999 QYHQKDDERJKMNM-GOSISDBHSA-N 539.635 4.141 10 10 KICE CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)c(COc4ccc(NC(C)=O)cc4)c3)C2=O)cc1 2278366 JSNFVWDUZAZYEC-PCLIKHOPSA-N 529.549 4.298 10 10 KICE CCCCNc1nc2ccc(C)cn2c(=O)c1/C=C1/SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O 33781311 AVJWEUYMSGPURZ-RGVLZGJSSA-N 508.625 4.345 10 10 KICE COc1ccc(N2CCN(c3nc4c(C)cccn4c(=O)c3/C=C3/SC(=S)N(CC(C)C)C3=O)CC2)cc1 102832601 DRHVLLZPVBXMBA-XQNSMLJCSA-N 549.722 4.195 10 10 KICE Cc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccc(N(C)C)cc4)NN(C(=O)c4cccc(Br)c4)[C@H]3C2=O)cc1 103588305 YJWXLCQNNLSQFQ-WXFUMESZSA-N 533.426 4.083 10 10 KICE CCc1nnc(NC(=O)COc2ccc(/C=C3/SC(=S)N(Cc4ccco4)C3=O)cc2OC)s1 211917209 YWELISBZMFWLET-LICLKQGHSA-N 516.626 4.121 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cccc(Cl)c3Cl)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 725401046 CEODONKIHTUHBV-JOCHJYFZSA-N 516.450 4.171 10 10 KICE COc1ccc(/C=C2/SC(=S)N(CCC(=O)N(Cc3ccc([C@@H]4C[C@@H]4C)o3)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 1772756600 CEUSTVFLZUWVAX-BZZBUKCYSA-N 574.746 4.219 10 10 KICE Cc1ccc(S(=O)(=O)CC(CS(=O)(=O)c2ccc(C)cc2)C(=O)c2ccc(C(=O)NCCOCCOCCOCCN=[N+]=[N-])cc2)cc1 1848432499 IPFVUCCDSQHREM-UHFFFAOYSA-N 700.836 4.140 10 10 KICE COc1ccccc1OCC(=O)Nc1cc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)ccn1 1860511018 CXGPUOAGNNTBPU-UHFFFAOYSA-N 507.502 4.135 10 10 KICE COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NC2CCCCCC2)[C@H]3c2ccc(O)c(O)c2)cc1 1864007850 WFVSTWVPYLRNNN-DEOSSOPVSA-N 504.587 4.134 10 10 KICE CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccco1)=C(N)O2 1864010397 MCAKFYJVOULFPT-QHCPKHFHSA-N 500.555 4.148 10 10 KICE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccco1)=C(N)O2 1864018955 FJYQZAQXAJTYQN-XMMPIXPASA-N 514.582 4.126 10 10 KICE NC1=C(C(=O)N2CCCC2)[C@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(Cc3ccccc3F)c2O1 1865031667 LQONFTDGYBHEPU-XMMPIXPASA-N 526.568 4.466 10 10 KICE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCN(c3ccccc3)CC1)[C@@H]2c1ccc(O)c(O)c1 1865032212 YBKBCXYCWQDPLB-RUZDIDTESA-N 537.620 4.025 10 10 KICE CC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867620829 GMRZKIIVCZSKQO-JSOSNVBQSA-N 595.744 4.401 10 10 KICE Cc1nnc([C@@H](CC(=O)NCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c2cccc(Br)c2)o1 1868155945 ASUGPJWHBCPSBP-NRFANRHFSA-N 573.403 4.193 10 10 KICE COCCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CC(=O)N3CCc4c(F)cccc4[C@@H]3C2)n1 1868254171 GNIQUGLQZLMEON-SANMLTNESA-N 577.616 4.270 10 10 KICE CCC[C@H](NC(=O)Cc1nc(-c2cccc(C)c2)oc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868636391 MJZTXHDLRLOSJJ-VWLOTQADSA-N 504.631 4.143 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)Cc3nc(-c4cccc(Cl)c4)oc3C)C(C)C)CC2)cc1 1868650068 IJPLSTLCFHCHMB-AREMUKBSSA-N 525.049 4.344 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(OC(C)=O)cc3)NC(=O)/C(C)=C/c3ccccc3)CC2)cc1 1868745737 UHARERSVXPQAIK-MVIHEARRSA-N 541.648 4.100 10 10 KICE CCOCCCN1C(=O)C(NCc2ccc(C(=O)OC)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873165866 XOKOMPBESWCEMZ-UHFFFAOYSA-N 515.610 4.177 10 10 KICE CCOC(=O)c1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCOC)C2=O)cc1 1873420561 PXPAPQIUIRPUBY-UHFFFAOYSA-N 501.583 4.499 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)c3ccc(F)cc3)CC2)cc1 1874643119 SNXALQUKHVOHEA-HHHXNRCGSA-N 500.574 4.006 10 10 KICE O=C1NC(=S)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C\c1cc2c(cc1Br)OCO2 6974351 OIVPQGGFIRBYKY-KMKOMSMNSA-N 500.157 4.316 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)c3ccccc3OCC(C)C)CC2)cc1 1862055892 PGCMXPCXSOTLHY-NDEPHWFRSA-N 515.654 4.420 10 10 KICE CCCC[C@@H](NC(=O)c1nn(-c2ccccc2)c2c1CCC2)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862069147 IRULSWJYNOUTDF-AREMUKBSSA-N 515.658 4.007 10 10 KICE COc1ccccc1CNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(Cl)cc2)[C@@H]1c1ccc(O)c(O)c1 1864011947 NMMINPGYVGRDRC-VWLOTQADSA-N 547.011 4.324 10 10 KICE CCCCOCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1 1864017333 JTOPRFHLVIUKFQ-XMMPIXPASA-N 520.630 4.172 10 10 KICE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccco1)=C(N)O2 1864018023 ASWHIZYCBWBBJE-QFIPXVFZSA-N 520.973 4.162 10 10 KICE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCCc3ccccc31)[C@@H]2c1ccc(O)c(O)c1 1865033456 AFQYPNVKHCNMNR-GOSISDBHSA-N 500.477 4.007 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)[C@H](c3ccc(Cl)cc3)C3CC3)CC2)cc1 1868866816 BPWFUZXKBHIJMY-RPBOFIJWSA-N 516.107 4.429 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCC[C@H]4C(=O)c4ccc(OC)c(C)c4)nc(C)n3)CC2)cc1 1869291434 JHMIIWNYUCPJPL-VWLOTQADSA-N 501.631 4.289 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)Cc4ccccc4)n(-c4cccc(Cl)c4)n3)CC2)cc1 1869970953 UTKXYYPBFJNVAW-UHFFFAOYSA-N 503.006 4.437 10 10 KICE CCN(CC)CCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccc(C(=O)OC)cc2)C1=O 1873169791 VHMYLUWDRUOHAQ-UHFFFAOYSA-N 528.653 4.092 10 10 KICE COC(=O)c1ccccc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCCN(C)C)C1=O 1873425464 ZRJVSRWVSUTHMN-UHFFFAOYSA-N 514.626 4.415 10 10 KICE CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)NCCc4nc5ccccc5[nH]4)c4ccccc34)[C@H]21 1873944193 KLJFMAHMRAIEPQ-LJAQVGFWSA-N 504.594 4.023 10 10 KICE O=C(C=Cc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)Nc1ccc(N2CCN(C(=O)C=Cc3ccccc3)CC2)cc1 2313685473 QCVCUWYOLJCTEQ-UHFFFAOYSA-N 567.646 4.445 10 10 KICE O=C(O)C[C@H](C(=O)O)N1C(=O)C(=Cc2cc(Br)ccc2OCC(=O)Nc2ccc(Cl)cc2)SC1=S 2314842447 VWQZRLSSFCKKOX-OAHLLOKOSA-N 599.868 4.249 10 10 KICE COc1ccc(CN2C(=O)/C(=C\c3c(NC[C@@H]4CCCO4)nc4c(C)cccn4c3=O)SC2=S)cc1 33671633 BSYZJALUWAPZIM-IOVUBPJKSA-N 522.652 4.004 10 10 KICE O=C(O)CCCN1C(=O)/C(=C\c2c(N3CCC(Cc4ccccc4)CC3)nc3ccccn3c2=O)SC1=S 102835806 UIAYUHPQABFRMO-RELWKKBWSA-N 548.690 4.220 10 10 KICE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(NC[C@@H](O)c3ccccc3)nc12 102994720 UPHAYWDQYDSTEP-HLQTZPMBSA-N 572.668 4.279 10 10 KICE COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OC 103814355 WVTVMOCBRYAIKO-NTUHNPAUSA-N 524.165 4.204 10 10 KICE Cc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(F)cc1)=C(N)O2 1864008571 NFMARFRFVSVZNK-XMMPIXPASA-N 534.975 4.438 10 10 KICE CCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](C)C1)=C(N)O2 1865032710 IVFGUYCTCHCDCA-OYHNWAKOSA-N 509.006 4.452 10 10 KICE CCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1C)=C(N)O2 1865035013 JFUXUYRESZMPKV-MWTRTKDXSA-N 506.578 4.140 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)Cc3nc(-c4cccc(F)c4)oc3C)CC2)cc1 1868640129 CYSVFUCMBVBASS-GDLZYMKVSA-N 572.637 4.122 10 10 KICE CC[C@@](C)(NC(=O)Cc1nc(-c2ccccc2Cl)oc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868647161 HQLZOEYRJZOVKU-MUUNZHRXSA-N 525.049 4.488 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCC(c5nc(C)n(C)n5)CC4)nc(Cc4ccccc4)n3)CC2)cc1 1869079639 GJMRACOMWMJOSZ-UHFFFAOYSA-N 538.700 4.224 10 10 KICE Cc1cccn2c(=O)c(C=C3SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(NCc3ccco3)nc12 2314413588 BPLYRNQJYPEFER-UHFFFAOYSA-N 584.683 4.412 10 10 KICE CCOc1cc(C=C2SC(=S)N([C@@H](C(=O)OC)c3ccccc3)C2=O)ccc1OCC(=O)N(CC)CC 2314767264 FPUKJLQASXTUGA-XMMPIXPASA-N 542.679 4.448 10 10 KICE CC[C@@H](C)N1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2N2CCN(c3ccccc3)CC2)SC1=S 39989858 JKVQQDDEDHXCRH-MPGAHLTBSA-N 521.712 4.375 10 10 KICE CN(C)c1ccc([C@H]2CC(c3cccc(Br)c3)=NN2C(=O)CN2C(=O)C(=O)c3ccccc32)cc1 100901428 LMIBXAODVWSFJG-XMMPIXPASA-N 531.410 4.422 10 10 KICE COc1ccc(CN2C(=O)/C(=C\c3c(NC[C@@H](O)c4ccccc4)nc4ccccn4c3=O)SC2=S)cc1 102687534 DNSWNGGAYTVKRP-WWOVWOHCSA-N 544.658 4.250 10 10 KICE CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCc1ccccc1)=C(N)O2 1864017313 JOJMLFOTIOLHJN-VWLOTQADSA-N 510.594 4.290 10 10 KICE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1cccnc1 1865393639 FJIPMBBVIACRHE-VWLOTQADSA-N 536.636 4.017 10 10 KICE COc1cc(C(=O)N[C@H](Cc2ccccc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc(OC)c1OC 1867336161 HXELKLRRFWKUTG-FQLXRVMXSA-N 588.749 4.463 10 10 KICE COc1ccc(N2CCN(CCC(=O)c3cccc(NC(=O)Cc4cc(OC)ccc4OC)c3)CC2)cc1 1874722461 YAZZYKXJGNYXGO-UHFFFAOYSA-N 517.626 4.289 10 10 KICE CCOc1ccc(NC(=O)CN2C(=O)SC(=Cc3cc(OC)c(N4CCCC4)cc3OC)C2=O)cc1 2293999063 SWXYDSOPWRWEEB-UHFFFAOYSA-N 511.600 4.378 10 10 KICE Cc1ccc2nc(N3CCN(Cc4ccccc4)CC3)c(C=C3SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(=O)n2c1 2314414632 GZGSHUIYUZFXPN-UHFFFAOYSA-N 611.749 4.455 10 10 KICE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N(C)C2=O)c1 2314476092 IOPFLXHXQZGTNV-UHFFFAOYSA-N 512.682 4.401 10 10 KICE Cc1c(N2C(=O)C(=Cc3c(NC[C@@H](O)c4ccccc4)nc4ccccn4c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C 2314476879 XMBQQAMYEYVJRM-HSZRJFAPSA-N 610.721 4.044 10 10 KICE CC[C@H](C)N1C(=O)/C(=C\c2c(N3CCN(c4ccccc4F)CC3)nc3ccccn3c2=O)SC1=S 35190009 WVCLWBKXJFQYKH-QFGIDJEJSA-N 523.659 4.160 10 10 KICE Cc1c(/C=C2\SC(=S)N(C3CCCC3)C2=O)c(NCc2ccc3c(c2)OCO3)n(C)c(=O)c1C#N 40066623 JVBACTVEZYFQSK-FBHDLOMBSA-N 508.625 4.050 10 10 KICE COc1cc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc(Cl)c1OCc1ccccc1Cl 101397315 DXMLJVJICWUNJQ-WVIXDYEQSA-N 539.422 4.202 10 10 KICE Cc1cccc(C)c1OCCOc1ccc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc1Cl 101398096 SKNPDISAIXREBJ-SVBOREBNSA-N 533.031 4.036 10 10 KICE CCN(CC)C(=O)COc1ccc(-c2c(C)sc(NC(=O)C(=O)NC[C@H](c3ccc(OC)cc3)N(C)C)c2C(=O)OC)cc1 1860763681 MWZMIBQWVHMMKQ-RUZDIDTESA-N 624.760 4.124 10 10 KICE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOc1cc(C)cc(C)c1)=C(N)O2 1864013771 FYPAHGRHEWJIRT-VWLOTQADSA-N 534.657 4.409 10 10 KICE CCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)C13CC4CC(CC(C4)C1)C3)=C(N)O2 1864021276 OOSOHYXUALGXFJ-ACIFMUOSSA-N 506.647 4.292 10 10 KICE CC(=O)Oc1ccc(C[C@H](NC(=O)c2ccc3c(c2)C(=O)N([C@H](CC(C)C)C(=O)O)C3=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867468786 OHYQUVIPQHNHGV-PDHQKIGBSA-N 739.870 4.458 10 10 KICE COc1cc(C(=O)N[C@H](Cc2ccc(OC(C)=O)cc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c([N+](=O)[O-])cc1OC 1867806452 KGKNDOQZIAMMJM-BVRKHOPBSA-N 661.756 4.288 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)CCC(=O)N3CCC[C@H]3c3nc4ccccc4s3)C(C)C)CC2)cc1 1868885075 KKUWFKNRJDOBRY-ABYGYWHVSA-N 577.751 4.238 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)c3ccccc3F)CC2)cc1 1874642843 OIUVFUKNIZBWGG-HHHXNRCGSA-N 500.574 4.006 10 10 KICE COc1ccc(OC)c(N2C(=O)C(=Cc3ccc(OC)c(COc4ccc(NC(C)=O)cc4)c3)C(=O)NC2=S)c1 2296103126 QPGLRDURHKDCJK-UHFFFAOYSA-N 561.616 4.081 10 10 KICE CCOc1cc(C=C2C(=N)N3C(SC)=NSC3=NC2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 2297345126 SZUFKCULCJXEBC-UHFFFAOYSA-N 516.626 4.101 10 10 KICE CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 102260810 PBAJXZHZGLGZMY-JLHDDXNDSA-N 628.707 4.360 10 10 KICE Oc1ccc2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)c2c(c([C@@H]3c4ccc(O)cc4O[C@H](c4cc(O)c(O)c(O)c4)[C@H]3O)c1O)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2 150343045 QZNRDKYJASOYMZ-BLBVDZAISA-N 866.781 4.444 10 10 KICE biogenic,in-vitro CC1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3/SC(=S)N([C@@H]4CCS(=O)(=O)C4)C3=O)c2)CC1 150657851 JMAHJLMJLUULOJ-OTZYPNAKSA-N 642.850 4.348 10 10 KICE COC(=O)c1cc(N/C(C)=C2/C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)cc(C(=O)OC)c1 205959005 UKQBVSMLJOKLRL-XQNSMLJCSA-N 514.494 4.305 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 252672346 PYOWSCZPAKVNMI-MUUNZHRXSA-N 555.656 4.243 10 10 KICE CC[C@@](C)(NC(=O)c1ccc2nc(-c3ccccc3)[nH]c2c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862091745 BNZLBPVZGJCLQG-SSEXGKCCSA-N 511.626 4.486 10 10 KICE Cc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccco1)=C(N)O2 1864009457 HTBCXXXJWHBGJV-VWLOTQADSA-N 508.534 4.349 10 10 KICE Cc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCCC1)=C(N)O2 1865026583 PYYSNSYIDMBLMX-QHCPKHFHSA-N 509.006 4.402 10 10 KICE CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)C[C@@H](C)C1)=C(N)O2 1865029938 YTRWEJAKFUIIIQ-GGUMNFRJSA-N 502.615 4.435 10 10 KICE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)N1CCCCCC1)[C@@H]2c1ccc(O)c(O)c1 1865033870 JLKCIBCWCOEUDT-HSZRJFAPSA-N 518.614 4.477 10 10 KICE CCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1cccc2ccccc12 1865133357 XXBLWKOYIDLZHD-MHZLTWQESA-N 523.637 4.417 10 10 KICE CCOC(=O)c1ccc(CN2C(=O)C(NCCCn3ccnc3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873167851 AMEVOWRTSHXCTF-UHFFFAOYSA-N 551.647 4.427 10 10 KICE Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccco4)C3=O)c(NC[C@H](O)c3ccccc3)nc12 2296540723 KAUHXARLEODCBV-FQEVSTJZSA-N 518.620 4.143 10 10 KICE CCCCN1C(=O)C(=Cc2c(N3CCN(c4ccccc4OC)CC3)nc3ccc(C)cn3c2=O)SC1=S 2296559575 SROZLBFUWIBGSO-UHFFFAOYSA-N 549.722 4.339 10 10 KICE COc1ccc(CN2C(=O)C(=Cc3c(N4CCCC[C@H]4C)nc4ccccn4c3=O)SC2=S)cc1 2314414256 UPIHUKBLHCVQQQ-QGZVFWFLSA-N 506.653 4.483 10 10 KICE COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(CNS(=O)(=O)c2ccccc2)o1 658252 IUQTWMFYLHQJMX-HMAPJEAMSA-N 512.971 4.289 10 10 KICE CCOC(=O)[C@@H](C(=O)C(=O)Nc1c(C)cccc1C(C)C)c1nc2ccc3c(c2nc1O)C(=O)c1ccccc1C3=O 104722465 CQTWPQSVTJSNOR-HSZRJFAPSA-N 565.582 4.397 10 10 KICE CCOC(=O)Cn1cc(C(=O)C(=O)N2CCN(c3ccc(OC)cc3)CC2)c2cc(NC(=O)/C=C\c3ccccc3)ccc21 208961939 VNXGTAQKDVJKGL-SXGWCWSVSA-N 594.668 4.396 10 10 KICE COc1ccc(C2=C(O)C(=O)N(c3cc(OC)c(OC)c(OC)c3)[C@@H]2c2ccc(O)c(O)c2)c(OC)c1 526634153 ZRWWDIGPFJIKEF-XMMPIXPASA-N 509.511 4.198 10 10 KICE CCCC[C@H](NC(=O)C(=O)Nc1sc(CC)c(-c2ccc(Br)cc2)c1C(=O)OC)C(=O)O 1860764046 XKEPPOSYQGBMDW-AWEZNQCLSA-N 525.421 4.225 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)CCCOc3ccccc3Cl)CC2)cc1 1862228127 OKJODZJAQODUEA-HSZRJFAPSA-N 520.095 4.094 10 10 KICE COc1ccc([C@@H](C)NC(=O)C2=C(N)Oc3c(c(C)nn3-c3ccc(OC)cc3)[C@H]2c2ccc(O)c(O)c2)cc1 1864007230 IEBBMDLZTSTITI-AKJBCIBTSA-N 542.592 4.181 10 10 KICE CCCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2Cc2ccccc2F)[C@H]1c1ccc(O)c(O)c1 1864013294 VIUWCYVWUUSMAZ-HSZRJFAPSA-N 508.594 4.435 10 10 KICE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(c3cccc(C)c3)CC1)=C(N)O2 1865030136 DEWJQMLMWHHKNQ-AREMUKBSSA-N 545.684 4.255 10 10 KICE CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(F)cc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865524680 LGKQCORXGFYUJG-RUZDIDTESA-N 533.648 4.293 10 10 KICE CCCC[C@H](NC(=O)c1cc(OC)c(OC)c(OC)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867339645 NAYHNKWXRIQISE-IZZNHLLZSA-N 554.732 4.410 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(F)c(F)c3)C(=O)N(CCCN3CCOCC3)C2=O)cc1 1873425850 NWFGLDPGMOSXJB-UHFFFAOYSA-N 520.580 4.287 10 10 KICE COc1cc(C=C2C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 2293345713 JEBWVXZKTSICPE-UHFFFAOYSA-N 562.629 4.469 10 10 KICE COc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)o1 2294229301 HVVBVUJITAXNHW-UHFFFAOYSA-N 528.340 4.457 10 10 KICE COc1cc(/C=C2\SC(=S)N([C@H]3CC(=O)N(CCCCC(=O)O)C3=O)C2=O)ccc1OCc1ccc(C)cc1 101974504 ZLNBQFJDSIINGH-FVHJOOJJSA-N 568.673 4.166 10 10 KICE O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 1084595492 JTPYVIUFFOGIBR-WJDWOHSUSA-N 508.443 4.266 10 10 KICE CC[C@H](C)NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(F)c2)[C@H]1c1ccc(O)c(O)c1 1864015138 KCUIMKZSSODKSD-KPZWWZAWSA-N 520.483 4.110 10 10 KICE CCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCCC1)=C(N)O2 1865035134 MGKOWYPEUWEZFV-HSZRJFAPSA-N 506.578 4.141 10 10 KICE CN(C)c1ccc([C@@H](CNC(=O)[C@H](CSCc2ccccc2)NC(=O)c2ccc(NS(C)(=O)=O)cc2)N2CCCCC2)cc1 1867605448 MJGWSTSSBQXGMO-IOWSJCHKSA-N 637.872 4.499 10 10 KICE COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCN(c3nnc(-c4ccc(Cl)cc4)o3)CC2)n1 1869113587 FJXMSVWIGDYETG-UHFFFAOYSA-N 591.116 4.031 10 10 KICE Cc1ccc([N+](=O)[O-])cc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCc2cnc[nH]2)C1=O 1873425724 CZPYAHDUEMJGTR-UHFFFAOYSA-N 510.554 4.469 10 10 KICE CCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NC[C@@H](c3ccc(O)cc3)N(C)C)ncnc21 1875207448 XAZJUBJTLOYYJL-NDEPHWFRSA-N 557.699 4.233 10 10 KICE CCOC(=O)COc1c(Cl)cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1OCC 2313560819 HUTUHKPAJXMODP-UHFFFAOYSA-N 551.777 4.110 10 10 KICE O=C(O)CCNC(=O)c1ccc(N=Nc2cc(C(=O)NCCC(=O)O)ccc2N=Nc2ccc(O)c(C(=O)O)c2)cc1 2333227942 IBCQZTYNNGNNDJ-UHFFFAOYSA-N 576.522 4.330 10 10 KICE CCc1ccc(N2C(=O)[C@@H]3[C@H](c4cc(Br)ccc4O)N[C@](Cc4ccc([N+](=O)[O-])cc4)(C(=O)O)[C@@H]3C2=O)cc1 251987364 HXZYFKOKHGXAQD-TVQWTUMOSA-N 594.418 4.142 10 10 KICE CCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC(C)C)=C(N)O2 1864019378 JUSKWYQLANUQKH-HSZRJFAPSA-N 541.048 4.184 10 10 KICE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)N2C[C@@H](C)C[C@@H](C)C2)[C@@H]3c2ccc(O)c(O)c2)c1 1865028707 YGYJZGYCMRFQKL-FIAZIHOUSA-N 516.642 4.467 10 10 KICE Cc1cc([C@@H](CC(=O)N[C@H](CO)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C(C)C)ccc1F 1866766045 KIRJGAVAVIFLPJ-WIOPSUGQSA-N 516.569 4.155 10 10 KICE CCCc1nc(N2CCN(Cc3ccccc3C)CC2)cc(N2CCN(c3ccc(OC)cc3)CC2)n1 1867977096 VSMZRGWQZIRELQ-UHFFFAOYSA-N 500.691 4.395 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3cc(C)n(-c4ccccc4F)n3)c3ccccc3)CC2)cc1 1868983703 KGWBNJPCQNDJGJ-NDEPHWFRSA-N 527.600 4.148 10 10 KICE CCCCn1cc(OCCOc2ccc(OC)cc2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870458169 YCQMNGMDYBADTQ-UHFFFAOYSA-N 521.658 4.446 10 10 KICE CCN1C(=O)C(=Cc2cn(CC(=O)N3[C@@H](C)CCC[C@H]3C)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 2297509070 RNAQMGLCSPQXPB-ZRZAMGCNSA-N 590.746 4.359 10 10 KICE CCn1c(N2CCC[C@H](C)C2)c(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)c(C)c(C#N)c1=O 33813449 MVYVMUHTJVMFOJ-SMEDBKPVSA-N 516.689 4.131 10 10 KICE CCN(CC)c1ccc(CN(C[C@@H]2CCCO2)C(=O)Nc2ccccc2OC)c(OS(=O)(=O)CC)c1 36009036 HFYFTRKRKKODAF-QFIPXVFZSA-N 519.664 4.483 10 10 KICE CCCn1c(N2CCC[C@H](C)C2)c(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c(C)c(C#N)c1=O 39990082 OVCBJMSEBSBOLW-QVQQZCKUSA-N 500.690 4.055 10 10 KICE CCCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2NCc2ccc3c(c2)OCO3)SC1=S 40066613 RRJJTNAOUSSZPI-NHDPSOOVSA-N 510.641 4.298 10 10 KICE Cc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3Cl)C2=O)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 103795240 ZYPSZZDWTYQAFT-NVMNQCDNSA-N 542.331 4.464 10 10 KICE COC(=O)[C@@H]1S[C@]2(SC(c3ccccc3)=NC23CCCC3)[C@H](C(=O)OC)N1c1ccc(OC)cc1 230216524 NIKSOADBIRIJQQ-WDZJFXIESA-N 512.653 4.492 10 10 KICE CCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc3ccccc23)[C@H]1c1ccc(O)c(O)c1 1864021569 CRTSNSUXNRWWDW-LJQANCHMSA-N 510.472 4.286 10 10 KICE CCN(CC)C(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2CC(C)C)[C@@H]1c1ccc(O)c(O)c1 1865032369 AWXZKIVDHNUFLG-QFIPXVFZSA-N 506.603 4.189 10 10 KICE CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)Cc1ccccc1)=C(N)O2 1865034933 HURZBAMEVFGWKN-VWLOTQADSA-N 528.584 4.397 10 10 KICE CCCOc1ccccc1[C@H]1C(C(=O)N2CCN(c3ccc(OC)cc3)CC2)=C(N)Oc2c1c(CCC)nn2C 1865446734 NNMCZNMXNSQENL-AREMUKBSSA-N 545.684 4.213 10 10 KICE O=C1C(=Cc2c(NC[C@@H](O)c3ccccc3)nc3ccccn3c2=O)SC(=S)N1Cc1ccccc1 2296546416 XMUKLDIDKBMNQT-OAQYLSRUSA-N 514.632 4.241 10 10 KICE CCSC1=NSC2=NC(=O)C(=Cc3cc(OC)c(OCCOc4cccc(OC)c4)c(OC)c3)C(=N)N12 2297341035 IGLHWGCXNVIMGY-UHFFFAOYSA-N 542.639 4.500 10 10 KICE COc1cc(C=C2SC(=S)N(N3C(=O)c4ccccc4C3=O)C2=O)ccc1OCC(=O)Nc1ccccc1 2297577035 NLDYZPIXUYLKCR-UHFFFAOYSA-N 545.598 4.125 10 10 KICE COc1cc(C=C2C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1OCc1ccccc1 2313555959 GOPQIQGQLWVWBY-UHFFFAOYSA-N 551.349 4.432 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)c3cc4ccccc4[nH]3)CC2)cc1 1862069778 CGQSZKZVYUZBNC-HHHXNRCGSA-N 500.574 4.006 10 10 KICE Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1ccc(OC(C)(C)C)cc1)[C@H]2c1ccc(O)c(O)c1 1864015263 NNFPOZXZSSWRFV-SFHVURJKSA-N 532.519 4.038 10 10 KICE CCN(CC)CCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2CC(C)C)[C@H]1c1ccc(O)c(O)c1 1864015585 SFATXILEXJJECX-XMMPIXPASA-N 533.673 4.160 10 10 KICE CCC[C@@H](NC(=O)CCS(=O)(=O)c1ccc(OC)c(Cl)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866806738 YYEBCIOVSZRYCV-HSZRJFAPSA-N 583.062 4.211 10 10 KICE COc1cc(OC)cc(C(=O)N[C@H](Cc2ccccc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867394284 KWOAMAQXIVUKNC-FIRIVFDPSA-N 558.723 4.454 10 10 KICE COCCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CC(=O)N3CCc4ccccc4[C@@H]3C2)n1 1868254555 TWTVSQFISDSTIV-SANMLTNESA-N 559.626 4.131 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(OC(C)=O)cc3)NC(=O)[C@H](C)Cc3ccc(F)cc3)CC2)cc1 1868763888 MWCCHZJJWCPQTC-RCRUUEGKSA-N 561.654 4.015 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)C[C@@H](C)c3cccc(OC)c3)CC2)cc1 1868939297 CNQOMIPBIMSOHL-BTYSJIOQSA-N 515.654 4.274 10 10 KICE CNC(=O)COc1cn(CCCCN2CCCC2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871018759 SILAFMHJFSKONA-UHFFFAOYSA-N 503.647 4.205 10 10 KICE CCOCCCNc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccc(F)cc2)C1=O 34799636 HONOLKFPOXVAIY-XSFVSMFZSA-N 512.632 4.382 10 10 KICE COc1ccc(N2CCN([C@@H](CNS(=O)(=O)c3cccc(C(F)(F)F)c3)c3ccco3)CC2)cc1 38619451 KDAXAMJHCVRHOR-QFIPXVFZSA-N 509.550 4.149 10 10 KICE Cc1ccc(N2C(=O)/C(=C\c3cc(Br)cc(I)c3O)C(=O)NC2=S)cc1C 101749149 MLADWLCXBCSSBJ-AUWJEWJLSA-N 557.207 4.207 10 10 KICE O=C(O)CCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCC3)c2)SC1=S 110557159 ZOEHPYJHMKEQAK-HAVVHWLPSA-N 582.729 4.390 10 10 KICE COc1ccc(/C=C2/SC(Nc3nnc(SCC(=O)Nc4ccc(OC)cc4)s3)=NC2=O)cc1 206386390 MMNRAQCUFBHZNO-GZTJUZNOSA-N 513.626 4.369 10 10 KICE COc1ccc([C@@H](C)NC(=O)C2=C(N)Oc3c(c(C)nn3Cc3ccccc3)[C@H]2c2ccc(O)c(O)c2)cc1 1864008033 AFMXGGATVHJMIZ-WGDIFIGCSA-N 526.593 4.232 10 10 KICE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCC)=C(N)O2 1864012685 GOQLYLBITHNQSE-HXUWFJFHSA-N 517.413 4.433 10 10 KICE CCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1864014712 AUWRJPKWNVWLSB-INIZCTEOSA-N 543.329 4.499 10 10 KICE COc1ccc(-c2nn(CC(C)C)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)NCC(C)C)=C(N)O3)cc1 1864017752 UNOWVKVFVGQODE-JOCHJYFZSA-N 506.603 4.093 10 10 KICE CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(OC)cc1)=C(N)O2 1864018439 LBOXLPSLYMWVSY-VWLOTQADSA-N 544.583 4.064 10 10 KICE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C)C1)=C(N)O2 1865027452 YKVQHQGHIVUQGL-CMJOXMDJSA-N 509.006 4.258 10 10 KICE CC(=O)Oc1ccc(C[C@H](NC(=O)[C@H](c2ccccc2)N(C)C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 1866697359 FIQIMXBXXDLOEK-SMCANUKXSA-N 589.648 4.356 10 10 KICE O=C(C[C@@H](c1ccccc1)c1ccc(F)c(F)c1)N[C@@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867123562 ZBTWGVPEHBBTML-HOFKKMOUSA-N 554.549 4.378 10 10 KICE CC[C@@H](NC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867530334 FLFXHAPTQJPSRU-IHLOFXLRSA-N 581.717 4.405 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)[C@H](CC(C)C)c3cccc(Br)c3)CC2)cc1 1869001812 TUCVYJWGWDGILX-NTKDMRAZSA-N 516.480 4.441 10 10 KICE CCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CC[C@H](O)C[C@H]2c2ccc(OC)c(OC)c2)n1 1869231560 YCCAJGACCBMNTH-AHWVRZQESA-N 547.700 4.484 10 10 KICE Cc1c(NC(=O)CCN2C(=O)C(=Cc3ccccc3Cl)SC2=S)c(=O)n(-c2ccccc2)n1C 2297296781 MGWGILKJTZJEGJ-UHFFFAOYSA-N 513.044 4.368 10 10 KICE COc1ccc(NC(=O)CN2C(=O)/C(=C3/SC(=S)N(CCc4ccccc4)C3=O)c3ccccc32)cc1 102677966 FZNUQXVDFSVASH-OCOZRVBESA-N 529.643 4.495 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccc(C(C)=O)cc4)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 1084213006 FWTMQPYDBDIGOZ-MUUNZHRXSA-N 555.656 4.327 10 10 KICE COc1ccc(/C=C/C(=O)N2CCC(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)CC2)cc1OC 1860595298 GKZRWAUJGUBASV-ACCUITESSA-N 524.573 4.370 10 10 KICE O=C(O)CCN1C(=O)/C(=C2/C(=O)N(Cc3ccc(Br)cc3)c3ccccc32)SC1=S 1860827431 YCPKABQGQRBGCQ-ZCXUNETKSA-N 503.399 4.042 10 10 KICE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)N(C)C2CCCCC2)[C@H]3c2ccc(O)c(O)c2)cc1 1865027031 DGOBVEIGKNUMMJ-VWLOTQADSA-N 502.615 4.445 10 10 KICE Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@H](C)C1)=C(N)O2 1865027599 JSRCQUJPBONDIG-NPGVVQFXSA-N 509.006 4.444 10 10 KICE CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1cccc(Cl)c1 1865092478 RJWMHOVSVYQBPU-DEOSSOPVSA-N 522.049 4.307 10 10 KICE COc1ccccc1C(=O)N[C@@H](Cc1ccc(OC(C)=O)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867916495 RHXGBAYBKNRMGT-IOWSJCHKSA-N 586.733 4.371 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)[C@@H](c3ccc(F)cc3)C(C)C)CC2)cc1 1868844972 QTCDDWBIXTZDBI-JWQCQUIFSA-N 501.668 4.161 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)Cc3ccc4nc(O)c(C(C)C)cc4c3)CC2)cc1 1868909945 CVKDTOFEUHTLCT-HHHXNRCGSA-N 550.725 4.202 10 10 KICE COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCC[C@H]2C(=O)c2ccc(OC)c(C)c2)n1 1869108155 YGNAMIDUWWWTMU-SANMLTNESA-N 545.684 4.169 10 10 KICE CCN(CCc1c(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)[nH]c2ccccc12)C(C)=O 2296256022 NUYWYENEAPRYNX-UHFFFAOYSA-N 523.387 4.008 10 10 KICE CCOc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc(Cl)c1OCc1ccc(C)cc1 2297345217 CURPSDCPVHNWIG-UHFFFAOYSA-N 533.031 4.247 10 10 KICE COc1ccccc1OCCn1cc(/C=C2/C(=O)N(C)c3ccc(S(=O)(=O)N4CCOCC4)cc32)c2ccccc21 101378720 PBPQYMSXQWWGBP-LGUFXXKBSA-N 573.671 4.267 10 10 KICE CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCc3ccc(C(=O)O)cc3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 103904306 PABIFVJGDNCYIW-PQRKSKNISA-N 597.693 4.142 10 10 KICE CCOc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC(C)C)ccc1OCc1ccccc1 104562184 ZOTCFGZKKWJYFB-VYIPLNHISA-N 526.640 4.312 10 10 KICE CO[C@@H]1O[C@H](CN=[N+]=[N-])[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 202459732 LSKICROOUPISTF-RIFZOBPSSA-N 531.521 4.345 10 10 KICE CCN(CC)C(=O)COc1ccc(-c2c(C)sc(NC(=O)C(=O)NCc3ccccc3)c2C(=O)OC)cc1 1860763934 SHDJLNBKMXVDJK-UHFFFAOYSA-N 537.638 4.012 10 10 KICE COc1ccccc1CNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2Cl)[C@H]1c1ccc(O)c(O)c1 1864009057 YMJSYPLALBJUHH-XMMPIXPASA-N 532.984 4.265 10 10 KICE Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1)=C(N)O2 1864009678 KEVWWFRYFCZXEX-DEOSSOPVSA-N 534.975 4.455 10 10 KICE CCCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCC(C)C)=C(N)O2 1864012988 NOPYMRBMDHHBCI-JOCHJYFZSA-N 511.022 4.415 10 10 KICE CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(Cc3ccc(C)cc3)CC1)=C(N)O2 1865030632 NIKVKNOXWVZBAJ-AREMUKBSSA-N 545.684 4.004 10 10 KICE CC[C@@H](Oc1cccc(C=C2SC(=S)N(NC(=O)c3ccccc3Br)C2=O)c1)C(=O)O 2314930834 JWEBIAUCQWVAJZ-MRXNPFEDSA-N 521.414 4.237 10 10 KICE O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C\c1ccc(OS(=O)(=O)c2ccccc2)cc1 35127615 KDTRLOYYBSGZHG-PLRJNAJWSA-N 519.648 4.242 10 10 KICE O=C(CCCN1C(=O)/C(=C\c2ccccc2OC(F)F)SC1=S)N(CCO)Cc1ccccc1 210498536 UOHMGXLJOVZPRL-HMMYKYKNSA-N 506.596 4.291 10 10 KICE CCCN1C(=O)C(=c2sc(=C3C=Cc4ccccc4N3CC)c(=O)n2-c2ccc(C)cc2)SC1=S 263629203 RMDKBBWZOGSBSZ-UHFFFAOYSA-N 519.717 4.247 10 10 KICE CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1cccc(OC)c1 1084092409 KYJQSBOVNODLEH-NDEPHWFRSA-N 539.657 4.010 10 10 KICE CCC[C@H](NC(=O)/C=C/c1ccc(Br)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861949162 LMOBDZOSIHTRJI-HANTZDOSSA-N 500.437 4.105 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)CCCOc3ccc4ccccc4c3)CC2)cc1 1862224125 OQWWWANKOKBZCL-HHHXNRCGSA-N 519.667 4.258 10 10 KICE CCCCOCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(Cl)cc2)[C@@H]1c1ccc(O)c(O)c1 1864011524 JDDRHHWJIWLPEQ-DEOSSOPVSA-N 541.048 4.322 10 10 KICE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)NCCc2cccs2)[C@H]3c2ccc(O)c(O)c2)c1 1864012149 SIONRUBABARTKO-VWLOTQADSA-N 530.650 4.383 10 10 KICE CCCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2cccc(F)c2)[C@@H]1c1ccc(O)c(O)c1 1864018881 TUASGUSTPQKQPE-QHCPKHFHSA-N 508.594 4.435 10 10 KICE Cc1cc(C(=O)N[C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)nn1-c1ccc(Br)cc1 1866846679 BKFZMTGRAMNBOZ-INIZCTEOSA-N 557.404 4.476 10 10 KICE CSCC[C@H](NC(=O)CCS(=O)(=O)c1cccc(Cl)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866887579 RLQOEPOTDPPWTK-QHCPKHFHSA-N 585.103 4.156 10 10 KICE CC(C)C[C@@H](CC(=O)N[C@@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(F)cc1 1867111398 YYDPVPAZHQDVKX-DFBJGRDBSA-N 516.569 4.237 10 10 KICE CCCC[C@H](NC(=O)c1cccc(NC(C)=O)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867637992 GOIGOEJBGQOFAI-NSOVKSMOSA-N 521.706 4.343 10 10 KICE CN(C)c1ccc([C@H](CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2cccc(F)c2)N2CCCCC2)cc1 1867837413 AIANUVOVQFUTEK-VMPREFPWSA-N 532.660 4.282 10 10 KICE COCCc1nc(N2CCC(Oc3ccc(OC)cc3)CC2)cc(N2CCN(c3ccc(OC)cc3)CC2)n1 1869111207 XKGKMVNWBFXIGP-UHFFFAOYSA-N 533.673 4.057 10 10 KICE COCCN1C(=O)C(Nc2ccc(C(=O)OC(C)C)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873420445 MJRFXUCNVLULDC-UHFFFAOYSA-N 501.583 4.498 10 10 KICE CCOC(=O)c1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCc3cnc[nH]3)C2=O)cc1 1873425670 AZMFUYQJRXHMCM-UHFFFAOYSA-N 523.593 4.429 10 10 KICE Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(O)c(I)c3)C2=O)c1 2297298401 IZLOCMCQWZHOBK-UHFFFAOYSA-N 541.139 4.043 10 10 KICE Cc1ccc2nc(NCc3ccco3)c(C=C3SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(=O)n2c1 2314413993 MYWAYVHHXGCLAN-UHFFFAOYSA-N 584.683 4.412 10 10 KICE CCC(CC)C1=NN2C(=N)/C(=C\c3ccc(OCc4cc(=O)n5nc(C)sc5n4)cc3)C(=O)N=C2S1 20332151 RVRPTDOPIBIQOW-TZDYEIAFSA-N 521.628 4.094 10 10 KICE O=C(NN1C(=O)/C(=C2/C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)SC1=S)c1cccnc1 40846670 MGLWDCRRRACBEE-VXPUYCOJSA-N 506.996 4.198 10 10 KICE C[C@H]1CN(c2ccc([N+](=O)[O-])c(COCc3cc(N4C[C@@H](C)O[C@H](C)C4)ccc3[N+](=O)[O-])c2)C[C@@H](C)O1 71791792 DLPGFKKHSFLVOS-WTGUMLROSA-N 514.579 4.447 10 10 KICE CC[C@H](C)N1C(=O)/C(=C\c2c(N3CCN(c4ccccc4OC)CC3)nc3ccc(C)cn3c2=O)SC1=S 103718796 JGPXLHXYGTUGOU-LKZQPVPRSA-N 549.722 4.338 10 10 KICE CCN1C(=c2sc(=C3C(=O)N(c4ccccc4)N=C3C)n(-c3ccccc3)c2=O)C=Cc2cc(C)ccc21 252669476 HQMQGBLDHYRIIX-UHFFFAOYSA-N 518.642 4.442 10 10 KICE CC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccc(OC)cc1)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867458225 ZSLUSFZHBDNEMD-ACHIHNKUSA-N 625.770 4.409 10 10 KICE Cc1ccccc1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867899872 NVCQHVRQOVFUSZ-XZWHSSHBSA-N 528.697 4.451 10 10 KICE CCCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)n1 1868386861 JQIZEKBNPQFPOH-UHFFFAOYSA-N 553.644 4.158 10 10 KICE CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N(CCN2CCN(C)CC2)c2ccccc2Cl)n1 1869139934 DEISBGAYHQSNLQ-UHFFFAOYSA-N 550.151 4.413 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccccc3N3CCOCC3)C(=O)N(CCCn3ccnc3)C2=O)cc1 1873423402 KIHVFNPIYBZSMW-UHFFFAOYSA-N 550.663 4.410 10 10 KICE N=C1C(=Cc2cn(Cc3ccc4c(c3)OCO4)c3ccccc23)C(=O)N=C2SC(CC(=O)N3CCCC3)=NN12 2296070799 LYQIJMYGJQYGFZ-UHFFFAOYSA-N 540.605 4.050 10 10 KICE COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c1C 2313560622 ADLULYQJZWLQDY-UHFFFAOYSA-N 539.342 4.440 10 10 KICE Cc1ccc(CN2C(=O)/C(=C\c3c(NC[C@H]4CCCO4)nc4c(C)cccn4c3=O)SC2=S)cc1 33367623 BLGZTWKUUDTCNE-DBRLUCFCSA-N 506.653 4.304 10 10 KICE Cc1ccc2nc(N3CCC[C@H](C)C3)c(/C=C3/SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(=O)n2c1 100886083 QBTBWDAOEKADHC-RSFOSLOZSA-N 534.663 4.369 10 10 KICE O=C(O)CCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCOCC3)c2)SC1=S 101013175 GFVQBFFYCIYWBK-PLRJNAJWSA-N 626.782 4.406 10 10 KICE Cc1c(/C=C2/SC(=S)N(CCC(C)C)C2=O)c(N2CCN(c3ccccc3F)CC2)n(C)c(=O)c1C#N 105634996 GSMDCIZTAWWRBN-HZHRSRAPSA-N 539.702 4.278 10 10 KICE CCOc1cccc(N2C(=O)/C(=C\c3ccc(OCc4cccc(C(=O)O)c4)c(OC)c3)C(=O)NC2=S)c1 1084161844 ZBAJKNQPGOGYLZ-XKZIYDEJSA-N 532.574 4.202 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(C(C)(C)C)cc3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 1084214664 FXWACXPCWUBIRG-VWLOTQADSA-N 503.668 4.162 10 10 KICE CCOC(=O)c1c(NC(=O)C(=O)N=c2[nH]nc(CC(C)C)s2)sc(C)c1-c1ccc(OCC)cc1 1860767061 GGPHWHIEGKXTRO-UHFFFAOYSA-N 516.645 4.348 10 10 KICE CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(Cl)cc1)=C(N)O2 1864022861 ZGFAIWSNSFXWCM-QFIPXVFZSA-N 511.022 4.220 10 10 KICE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC1)=C(N)O2 1865029229 IWUAPBSSLRTBGA-OAQYLSRUSA-N 539.430 4.316 10 10 KICE C[C@H]1CCCN(C(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3Cc3ccc(F)cc3)[C@H]2c2ccc(O)c(O)c2)C1 1865033641 FLVXOBLZOHHGAM-VBKZILBWSA-N 546.521 4.454 10 10 KICE CC[C@@H](NC(=O)Cc1ccc2nc(O)c(Cc3ccccc3)cc2c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868934714 AWIYCERSEUYMQN-GDLZYMKVSA-N 552.675 4.326 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)C[C@@H](C)c3cccc(OC)c3)CC2)cc1 1868941237 HKLTWDNHXFZYGI-KPURRNSFSA-N 533.644 4.413 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCN(c5ccccc5)C(=O)C4)nc(Cc4ccccc4)n3)CC2)cc1 1869086002 DJDWESUWRMAKOV-UHFFFAOYSA-N 534.664 4.256 10 10 KICE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccc(F)cc4)cn3Cc3ccccn3)CC2)cc1 1870623940 CKQUNGQDGACBHV-UHFFFAOYSA-N 514.601 4.341 10 10 KICE COCCn1cc(OCC(=O)Nc2nnc(C)s2)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1871020515 AKRQXBVVYXDENE-UHFFFAOYSA-N 520.615 4.028 10 10 KICE CC(C)C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874017939 ZBGNVGKSZOQQOV-QFIPXVFZSA-N 510.999 4.447 10 10 KICE CNc1c(I)cc(C=C2C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1I 2294093685 DOGSEOOQFSCNJH-UHFFFAOYSA-N 601.182 4.221 10 10 KICE CCOc1ccc(NC(=O)CCN2C(=O)C(=Cc3cc(OC)c(OC)c(OC)c3)SC2=S)cc1 2296753619 QWERZAPMVFFICN-UHFFFAOYSA-N 502.614 4.341 10 10 KICE O=C1C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCCCC3)c2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 2314475975 GSMZVLXHSILMSM-XMMPIXPASA-N 642.850 4.492 10 10 KICE CCOCCCN1C(=O)/C(=C\c2c(NCCc3ccccc3)nc3ccc(C)cn3c2=O)SC1=S 33780918 KIEXJKWELBUSQF-LTGZKZEYSA-N 508.669 4.285 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 1083955330 MVRNHBSHZFZHEM-GDLZYMKVSA-N 598.681 4.352 10 10 KICE CCN(CC)C(=O)COc1ccc(-c2c(C)sc(NC(=O)C(=O)NCc3ccccc3F)c2C(=O)OC)cc1 1860763502 JIFZGMLTOFHKNI-UHFFFAOYSA-N 555.628 4.151 10 10 KICE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)NCc2ccccc2F)[C@@H]3c2ccc(O)c(O)c2)c1 1864010725 BCURYGJQIZWYMM-AREMUKBSSA-N 528.584 4.418 10 10 KICE Cc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOc3ccccc31)=C(N)O2 1865027744 KIKIVGCNBKVDCK-DEOSSOPVSA-N 530.968 4.366 10 10 KICE COc1ccc(Cl)cc1C(=O)NC(C)(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867615146 RQPRHPLLUQOKGG-QHCPKHFHSA-N 501.071 4.266 10 10 KICE Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1[N+](=O)[O-] 1867843782 CFVODVARMGCDDZ-POURPWNDSA-N 618.691 4.268 10 10 KICE CCCC[C@H](NC(=O)c1cc(-c2ccc(C)c(C)c2)n(C)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868756383 ZDVRFDUSJFEVKC-SANMLTNESA-N 517.674 4.350 10 10 KICE O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)[C@H]1CCCN1S(=O)(=O)c1cccc(C(F)(F)F)c1 1892118451 HGDYINAGIBNNDA-AVCGJXAMSA-N 507.578 4.164 10 10 KICE COC(=O)c1cccc(-c2ccc(C=C3C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)o2)c1C 2313560941 MJIPQBJIFWKTFQ-UHFFFAOYSA-N 509.312 4.471 10 10 KICE COc1ccc(N2N=C(C)/C(=C\NN3C(=O)c4cccc5c(Br)ccc(c45)C3=O)C2=O)cc1 104717956 RSRQVFGEMWPKRX-XDHOZWIPSA-N 505.328 4.018 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](CSCc3ccccc3)NC(=O)c3ccccc3OC)CC2)cc1 1862051957 YHCHCNWRBSAUOM-SANMLTNESA-N 519.667 4.084 10 10 KICE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)NCCc2ccccc2)[C@H]3c2ccc(O)c(O)c2)c1 1864011539 JHXWYTHLCOMZFD-MHZLTWQESA-N 524.621 4.321 10 10 KICE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC(C)C)=C(N)O2 1864019191 WAJAECQCPXWYIR-FQEVSTJZSA-N 517.413 4.431 10 10 KICE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1CCO)=C(N)O2 1865031085 YNGYINQNNYILDY-NVQXNPDNSA-N 546.668 4.062 10 10 KICE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)N1C[C@H](C)C[C@@H](C)C1)[C@H]2c1ccc(O)c(O)c1 1865033779 HYAYXFYBVIJORJ-QZMQVMSPSA-N 518.614 4.189 10 10 KICE CN(C)c1ccc([C@H](CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2ccc3c(c2)C(=O)N([C@H](Cc2ccccc2)C(=O)O)C3=O)N2CCCCC2)cc1 1867627394 HSNYBDQYCBEUHI-QOEXFKEZSA-N 731.850 4.435 10 10 KICE Cc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCN(C)C)C2=O)c([N+](=O)[O-])c1 1873421156 JRMGCRDSNMROPK-UHFFFAOYSA-N 501.587 4.454 10 10 KICE Cc1c(N2C(=O)C(=C3C(=O)N(CC(=O)Nc4ccc(F)cc4)c4ccccc43)SC2=S)c(=O)n(-c2ccccc2)n1C 2296539253 JLNRPIIGDQOYKR-UHFFFAOYSA-N 599.669 4.385 10 10 KICE CCOc1ccccc1-n1c(C)cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC(C)C)c1C 2297345491 BLNTVNXZRAEPLJ-UHFFFAOYSA-N 513.645 4.140 10 10 KICE Cc1ccc(C=C2SC(=S)N(CC(=O)N(Cc3ccc(N(C)C)cc3)C[C@@H]3CCCO3)C2=O)cc1 2314627706 XWPUNHVDVDFKMG-QHCPKHFHSA-N 509.697 4.470 10 10 KICE NS(=O)(=O)c1ccc(NC(=O)CCCCCN2C(=O)/C(=C\c3c[nH]c4ccccc34)SC2=S)cc1 210748468 MXGYSDMXVDJKHR-KGENOOAVSA-N 528.681 4.216 10 10 KICE CCOc1cc(/C=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)ccc1OCCC(=O)O 210967902 NPYKNQZJNMSRCA-QNGOZBTKSA-N 539.635 4.142 10 10 KICE CSCC[C@]1(C(=O)O)N[C@H](c2cccc(OC(F)(F)F)c2)[C@H]2C(=O)N(Cc3ccc4c(c3)C(=O)c3ccccc3C4=O)C(=O)[C@H]21 247550681 VUWIJPFWNXXWQO-NBTLCYJSSA-N 638.620 4.383 10 10 KICE O=S(=O)(O)OCCS(=O)(=O)c1ccc(Nc2nc(Cl)[nH]c(=Nc3cc(S(=O)(=O)O)cc4cc(S(=O)(=O)O)c(/N=N/c5c(S(=O)(=O)O)ccc6ccccc56)c(O)c34)n2)cc1 1857524587 GCFNHGHMJMHQSX-YMZYAJTMSA-N 946.354 4.195 10 10 KICE COc1ccc(OC)c(-c2csc(NC(=O)C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)n2)c1 1860744676 AVWJIBQMHXDNER-UHFFFAOYSA-N 513.531 4.180 10 10 KICE CCOC(=O)c1c(NC(=O)C(=O)NCCOc2ccc(OC)cc2)sc(C)c1-c1ccc(F)cc1 1860758769 LZOFWEFXLKAEDI-UHFFFAOYSA-N 500.548 4.182 10 10 KICE Cc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(Cc1ccccc1)C(C)C)=C(N)O2 1865027482 ZAIZWKUTGMDGKF-RUZDIDTESA-N 511.582 4.119 10 10 KICE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)N2C[C@H](C)C[C@@H](C)C2)[C@H]3c2ccc(O)c(O)c2)c1 1865028708 YGYJZGYCMRFQKL-KABRZNFWSA-N 516.642 4.467 10 10 KICE CCC[C@@H](NC(=O)[C@H]1CCCN1Cc1ccccc1F)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866919423 PTAQYIQLCAXHPI-CLJLJLNGSA-N 527.596 4.489 10 10 KICE CCN(CC)CCN1C(=O)C(Nc2ccc(N3CCN(C)CC3)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873426122 USHOCGIPQQELHP-UHFFFAOYSA-N 554.739 4.380 10 10 KICE Cc1cc(C)cc(OCCOc2ccc(C=C3C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2Cl)c1 2297346189 KOVUTLUVFMJXLU-UHFFFAOYSA-N 533.031 4.036 10 10 KICE COc1cc(C=C2SC(=S)N(NC(=O)c3ccc(C(C)(C)C)cc3)C2=O)ccc1OCCC(=O)O 2314930880 AJWPCJSYLUMPGL-UHFFFAOYSA-N 514.625 4.392 10 10 KICE O=C(O)COc1ccccc1/C=C1/SC(=S)N(NC(=O)C(c2ccccc2)c2ccccc2)C1=O 33431457 KWKBKZWYRHHOSC-RCCKNPSSSA-N 504.589 4.215 10 10 KICE Cc1ccc(CN2C(=O)/C(=C/c3c(N4C[C@H](C)O[C@H](C)C4)nc4ccc(C)cn4c3=O)SC2=S)cc1 33469198 NXESMZMLIYNDCQ-XKFKZCNISA-N 520.680 4.326 10 10 KICE CCn1c(N2CCCCC2)c(/C=C2/SC(=S)N(Cc3ccc(OC)cc3)C2=O)c(C)c(C#N)c1=O 33470071 HNVCPDFYHHJCRC-HYARGMPZSA-N 508.669 4.449 10 10 KICE Cc1ccc2nc(NCc3ccc4c(c3)OCO4)c(/C=C3/SC(=S)N(CC(C)C)C3=O)c(=O)n2c1 39983460 ZFNDUFKENXCLOJ-AWQFTUOYSA-N 508.625 4.201 10 10 KICE CCCn1c(N2C[C@@H](C)C[C@@H](C)C2)c(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c(C)c(C#N)c1=O 39990137 QXBLVQHMEYCWMM-QAQQXZLWSA-N 514.717 4.301 10 10 KICE CCCCn1c(N2C[C@H](C)O[C@H](C)C2)c(/C=C2\SC(=S)N(CCCOCC)C2=O)c(C)c(C#N)c1=O 39991364 IZYRLOPBSIFCDE-LODLPNETSA-N 532.732 4.070 10 10 KICE CCCCN1C(=O)C(=C/C=C/C=C/c2c(O)n(CCCC)c(=O)n(CCCC)c2=O)C(=O)N(CCCC)C1=O 78938373 CQAPPGVBCMJDML-WXUKJITCSA-N 542.677 4.203 10 10 KICE in-vitro CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCc4ccccc4)c(Br)c3)C(=N)N21 101395702 XERSWKCWQIRBPU-IQGAPNPZSA-N 533.429 4.039 10 10 KICE C[C@@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3/SC(=S)N(CC(=O)O)C3=O)c2)C1 110559385 ISMCMZUUUWZOAF-UEIZDATPSA-N 582.729 4.246 10 10 KICE COc1ccccc1NC(=O)COc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1OC 150481391 RRHUEDOLUHRXEB-XDHOZWIPSA-N 641.418 4.301 10 10 KICE C[C@@H]1C[C@H]1c1ccc(CN(C(=O)CCN2C(=O)/C(=C/c3ccccc3)SC2=S)[C@H]2CCS(=O)(=O)C2)o1 256042044 LAIABXAHIRYFJZ-ADCGLMSZSA-N 544.720 4.210 10 10 KICE COc1cc(N=Nc2cc(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(OS(=O)(=O)c4ccccc4)c23)c(C)cc1N 256160804 QEYCCMMMEKIJFH-UHFFFAOYSA-N 607.644 4.416 10 10 KICE CCOC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=S)N(c4ccc(OC)cc4OC)C3=O)c2C)cc1 1084106513 CKQFVACKHUOYBE-HMAPJEAMSA-N 533.606 4.119 10 10 KICE O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cc([N+](=O)[O-])c(N2CCOCC2)cc1N1CCOCC1 1084272476 HLLGMLAMZJEDBT-LQKURTRISA-N 641.725 4.402 10 10 KICE CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCCC1)=C(N)O2 1864012818 JZXCILDBSGXSEQ-HSZRJFAPSA-N 503.603 4.165 10 10 KICE Cc1ccc(C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867329767 PSYLJWLMIURUMP-IHLOFXLRSA-N 528.697 4.451 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)c3cc(C)n(-c4cccc(C)c4)n3)CC2)cc1 1868761667 WVZZJOKWDSBJTR-PMERELPUSA-N 555.654 4.327 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)CCc3nc(-c4ccc(F)cc4)cs3)C(C)C)CC2)cc1 1868911217 ANQKEWCLQRCWBX-HHHXNRCGSA-N 524.662 4.380 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)C3(c4ccc(N)cc4)CCCCC3)CC2)cc1 1868930863 FAKSCQZRZWAIDX-SSEXGKCCSA-N 556.707 4.261 10 10 KICE COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCc3cc(OC)ccc3[C@@H]2C)n1 1869108967 KPHLOXQFOFDLDU-NRFANRHFSA-N 503.647 4.133 10 10 KICE CCc1ccccc1OCCOc1ccc(C=C2C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC)cc1Cl 2297345582 JNKMRFPBQBHUPI-UHFFFAOYSA-N 547.058 4.372 10 10 KICE Cc1ccc(OCCOc2ccc(C=C3C(=N)N4N=C(CC(=O)N5CCCC5)SC4=NC3=O)cc2)c(C)c1 2297468277 SFRXQWOURZAZKM-UHFFFAOYSA-N 531.638 4.393 10 10 KICE COc1cc(C=C2SC(=S)N(N)C2=O)cc(I)c1OCc1ccccc1F 2297576498 DCAABNOEBWRFLK-UHFFFAOYSA-N 516.357 4.093 10 10 KICE CCOc1ccc(N2C(=O)C(=Cc3ccccc3OCc3ccc(C(=O)O)cc3)C(=O)NC2=S)cc1 2313557127 UXCFQUNHCVAEGP-UHFFFAOYSA-N 502.548 4.194 10 10 KICE CCOc1cc(C=C2SC(=S)N(NS(=O)(=O)c3ccc(Cl)cc3)C2=O)ccc1O[C@@H](CC)C(=O)O 2314934610 IRHPRFPTQMASSC-INIZCTEOSA-N 557.071 4.075 10 10 KICE COc1ccc(C(=O)Oc2ccc(/C=C3/C(=N)N4OC(C)=CC4=NC3=O)cc2Br)cc1OC 20236755 SMOJQMGSRJOZNG-LQDTWPQUSA-N 512.316 4.136 10 10 KICE CCOc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)ccc1OCc1ccccc1 96460858 RTARSMKHPGMMLX-SCORJZKRSA-N 512.613 4.064 10 10 KICE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCCCOc4ccc(C)c(C)c4)cc3)C(=N)N21 104561228 REJCDSRQJZHHNN-FNKNWIJASA-N 526.640 4.163 10 10 KICE Cc1c(N2C(=O)/C(=C/c3c(N4CCC(C)CC4)nc4ccccn4c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C 105642904 OLDUPYWZVFVIKR-XLNRJJMWSA-N 572.716 4.134 10 10 KICE O=C1/C(=C\c2cccs2)SC(=S)N1CCC(=O)N(Cc1ccc(N2CCCCC2)o1)[C@H]1CCS(=O)(=O)C1 207307726 KDGZIEVMVNHVDM-CQHJRZBDSA-N 579.791 4.139 10 10 KICE O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\c1cn(CCOc2ccc3c(c2)OCO3)c2ccc(Br)cc12 1083976937 GJYDZFYVXIVPHX-FBHDLOMBSA-N 578.375 4.467 10 10 KICE Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1c[nH]c3ccccc13)=C(N)O2 1864006944 BEDTVBMMPQVMIS-AREMUKBSSA-N 521.577 4.127 10 10 KICE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NCc1ccccc1)[C@H]2c1ccc(O)c(O)c1 1864017118 FVWNDMBRCWTPSY-DEOSSOPVSA-N 526.593 4.391 10 10 KICE NC1=C(C(=O)NC2CCCCCC2)[C@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3ccccn3)c2O1 1864023009 UDKBIBCLDSSETO-LJQANCHMSA-N 529.519 4.231 10 10 KICE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCOc3ccccc31)[C@@H]2c1ccc(O)c(O)c1 1865031412 GITVCOIIKYFQTC-HSZRJFAPSA-N 510.550 4.101 10 10 KICE CCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@@H](C)C1)=C(N)O2 1865034909 HOLSOGJRNOXQPX-XVTZWQNCSA-N 520.605 4.243 10 10 KICE CCC[C@@H](NC(=O)CCCc1ccc2c(c1)OCCO2)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866789656 OJMFKBHSPDDQIM-XMMPIXPASA-N 526.589 4.480 10 10 KICE CCCC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(C(C)C)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867432155 IMDWVXPEBHJSMY-WDYNHAJCSA-N 575.754 4.389 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3nc(CC(C)C)n4ccccc34)c3ccccc3)CC2)cc1 1868779176 DYVAIWVIIIKAOS-NDEPHWFRSA-N 525.653 4.361 10 10 KICE CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCN3CCc4c(Cl)cccc4[C@@H]3C2)n1 1869138560 QUYLPOWMZUYECH-SANMLTNESA-N 519.093 4.447 10 10 KICE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccccc4F)cn3CCCCCCO)CC2)cc1 1870343025 CIPXQTNPOPMPPA-UHFFFAOYSA-N 523.649 4.450 10 10 KICE CCC(=CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1)c1ccc(OC)cc1 2329517740 LGXUXZVLTAONLI-SSEXGKCCSA-N 543.664 4.279 10 10 KICE CCOc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC)ccc1OCc1ccccc1Cl 101395232 YQADBULCMSTRBZ-LXEXHQCYSA-N 533.031 4.329 10 10 KICE [N-]=[N+]=NCCc1ccc(O)c(N=Nc2ccc(C(=O)NCCOCCOCCOCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)cc2)c1 888087541 VQJUOWXTLWKWGJ-JLHXZSQLSA-N 711.846 4.282 10 10 KICE CCOC(=O)c1c(NC(=O)C(=O)N[C@H](C(=O)O)[C@@H](C)CC)sc(C)c1-c1ccc(Br)cc1 1860758255 IGSZTHDLDDPCKG-GTNSWQLSSA-N 525.421 4.217 10 10 KICE CCC[C@@H](NC(=O)/C=C/c1ccc(Br)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861949163 LMOBDZOSIHTRJI-WYIJSASQSA-N 500.437 4.105 10 10 KICE CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccco1)=C(N)O2 1864010333 KNOHGDVYBBMLPK-QFIPXVFZSA-N 520.973 4.493 10 10 KICE Cc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)c1ccccc1)=C(N)O2 1864011740 KTJGRUYHWBLHKM-LMKMVOKYSA-N 514.557 4.362 10 10 KICE Cc1ccc(CCNC(=O)C2=C(N)Oc3c(c(C)nn3Cc3ccc(F)cc3)[C@H]2c2ccc(O)c(O)c2)cc1 1864012126 RSBCWJPBHPPHNA-AREMUKBSSA-N 528.584 4.152 10 10 KICE CCCOC(=O)c1ccc(CNC(=O)C2=C(N)Oc3c(c(CC)nn3CC(C)C)[C@@H]2c2ccc(O)c(O)c2)cc1 1864020924 IKBQJQYHXGPWDI-DEOSSOPVSA-N 548.640 4.091 10 10 KICE C[C@@H]1CCCCN1C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccn2)[C@@H]1c1ccc(O)c(O)c1 1865032201 XTBGIYOLQRIAFA-KOSHJBKYSA-N 523.593 4.441 10 10 KICE COc1cccc(OC)c1C(=O)N[C@H](Cc1ccc(OC(C)=O)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867363016 FSDCMTMRBIAXOJ-IHLOFXLRSA-N 616.759 4.380 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCCC3=CCCCC3)C(=O)N(CCCN3CCOCC3)C2=O)cc1 1873167497 KEWHIIVYWCLQJU-UHFFFAOYSA-N 516.686 4.376 10 10 KICE COc1ccc(-n2c(C)cc(C(=O)COC(=O)C=Cc3c(C)nn([C@H]4CCS(=O)(=O)C4)c3Cl)c2C)cc1 2042441586 ZDLWUBFECMQTPJ-FQEVSTJZSA-N 546.045 4.060 10 10 KICE COc1ccc(CCN2C(=O)C(=Cc3c(NCC(C)C)nc4ccccn4c3=O)SC2=S)cc1OC 2295982121 HQYLEMRHESPSHB-UHFFFAOYSA-N 524.668 4.224 10 10 KICE CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OCCCOc4cccc(C)c4C)cc3)C(=N)N21 2297345651 PAXIWZJIMYHWGD-UHFFFAOYSA-N 526.640 4.163 10 10 KICE Cc1ccc2nc(NC[C@H]3CCCO3)c(C=C3SC(=S)N(Cc4ccc(F)cc4)C3=O)c(=O)n2c1 2314413845 JAVNVBZNDNNHLX-GOSISDBHSA-N 510.616 4.134 10 10 KICE O=C(CN1C(=O)C(=Cc2cc(Br)cc(Br)c2O)SC1=S)Nc1nccs1 2314827393 DAGHDOJQFSWLQJ-UHFFFAOYSA-N 535.264 4.214 10 10 KICE NS(=O)(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C/c3cccc(OCc4ccccc4)c3)SC2=S)cc1 101966581 FAJRQKGMSLKPOV-KQWNVCNZSA-N 553.687 4.143 10 10 KICE CCCCN1C(=O)/C(=C\c2c(N3CCN(c4ccc(OC)cc4)CC3)nc3ccccn3c2=O)SC1=S 102987208 OYYZIMOOLFZBTP-RELWKKBWSA-N 535.695 4.031 10 10 KICE CCCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1F)=C(N)O2 1864012825 KFKNSTUVBJZURK-VWLOTQADSA-N 528.584 4.445 10 10 KICE CCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2F)[C@@H]1c1ccc(O)c(O)c1 1864016859 YUOLKGUQAIYFSK-QHCPKHFHSA-N 514.557 4.370 10 10 KICE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)cc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865117844 LEVDVRIJWPAPEW-AREMUKBSSA-N 545.684 4.249 10 10 KICE COc1ccc([C@H](CC(=O)N[C@@H](CO)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C(C)C)cc1C 1866772385 SCLJDSRWWRCHDJ-NOZRDPDXSA-N 528.605 4.025 10 10 KICE COc1ccc([C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCN(c3ccc(OC)cc3)CC2)C(C)C)cc1 1868858308 WJHBNQCCKCIOQS-XZWHSSHBSA-N 545.680 4.225 10 10 KICE COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCC[C@H](Oc3ccccc3)C2)n1 1869122446 JIVUEQGCYHAQTO-SANMLTNESA-N 503.647 4.049 10 10 KICE COc1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCN3CCOCC3)C2=O)c1 1873425891 PAXPGOQCABGAJF-UHFFFAOYSA-N 514.626 4.017 10 10 KICE Cc1cc(C=C2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(N2CCOCC2)cc1 2313623793 DYWIEWFTTONDAV-UHFFFAOYSA-N 521.042 4.415 10 10 KICE COc1ccc(N2N=C(C)C(=C(C)Nc3ccc(S(=O)(=O)Nc4ccc(Cl)nn4)cc3)C2=O)cc1 2313681939 QZCKQBWFXJOFGP-UHFFFAOYSA-N 512.979 4.048 10 10 KICE CCCC[C@@H](CC)CN1C(=O)C(=Cc2c(N3CCN(C(=O)OCC)CC3)nc3ccccn3c2=O)SC1=S 2314399389 VWEQLHWJIPBVTF-LJQANCHMSA-N 557.742 4.391 10 10 KICE CC(=O)NCCc1c(/C=C2/C(=O)N(c3ccc(Br)cc3)C(=S)N=C2O)[nH]c2ccccc12 38166343 PXSIKOFRONSQFB-LDADJPATSA-N 511.401 4.281 10 10 KICE O=C1c2ccccc2-c2onc3c(N4CCN(CCOc5ccc(Cl)cc5)CC4)cc(NCCO)c1c23 63490357 MKEQDTJCZVZROT-UHFFFAOYSA-N 519.001 4.298 10 10 KICE COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 100310145 DSFOWNDGOGOOEY-WQRHYEAKSA-N 518.438 4.279 10 10 KICE CCN1C(=O)/C(=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)c2cc(Br)ccc21 101744607 ATWBEPMBXUFZKL-NXVVXOECSA-N 522.833 4.385 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3c(OC)ccc4ccccc34)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 254303834 YCIXZTDVQLEWRV-HHHXNRCGSA-N 527.646 4.026 10 10 KICE CCN(CC)c1ccc([C@H]2C(c3cccc(OC)c3)=C(O)C(=O)N2c2ccc(S(=O)(=O)NC(C)=O)cc2)cc1 526138823 DNMXLFGVAOSCAL-MHZLTWQESA-N 549.649 4.423 10 10 KICE CCCOc1c(I)cc(I)cc1/C=C1/C(=O)NC(=O)N(CCc2ccccc2)C1=O 1084175261 QNINOEMGTZXJKW-ATVHPVEESA-N 630.220 4.389 10 10 KICE Cc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCc1ccccc1)=C(N)O2 1864010716 BCMBKUGZBWXDSW-SANMLTNESA-N 528.584 4.234 10 10 KICE COCCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1 1864014655 ZPEMVVCRPAILQZ-XMMPIXPASA-N 526.593 4.106 10 10 KICE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC)=C(N)O2 1864018378 JVUFVPWVSHYFTC-NRFANRHFSA-N 547.439 4.059 10 10 KICE COc1ccc(-c2nn(C)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)NCc2cc(C)ccc2C)=C(N)O3)cc1 1864022546 OIOPFFAYPHYUQN-DEOSSOPVSA-N 526.593 4.135 10 10 KICE CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(c3cccc(C)c3C)CC1)=C(N)O2 1865037501 PENKKKBXZIRQHG-SANMLTNESA-N 545.684 4.173 10 10 KICE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(-c5ccccc5)nn4C)[C@@H]3c3cccs3)CC2)cc1 1865326003 JHEKHUCJERDBDG-QHCPKHFHSA-N 527.650 4.201 10 10 KICE CCCC[C@H](NC(=O)c1cc(C)n(-c2cccc(C)c2)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868765868 FTSDUHMYFAJYJR-SANMLTNESA-N 503.647 4.135 10 10 KICE COc1ccc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc1CN1C(=O)c2ccccc2C1=O 2296020961 VAEMWYNJPPTXLO-UHFFFAOYSA-N 576.428 4.085 10 10 KICE CCCCCCN1C(=O)C(=Cc2c(NCCCn3ccnc3)nc3c(C)cccn3c2=O)SC1=S 2296845241 NDKXHCZKJBTSFH-UHFFFAOYSA-N 510.689 4.483 10 10 KICE COc1cc(C=C2C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)ccc1O[C@@H](C)c1ccccc1 2297470336 XXRKKCFCSOEUOG-KRWDZBQOSA-N 517.611 4.467 10 10 KICE Cc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc(N5CCOCC5)cc4)c3C)C(=O)NC2=S)cc1C 2313624094 MEORUCRTFYSMGB-UHFFFAOYSA-N 514.651 4.379 10 10 KICE O=C1C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCCCC3)c2)SC(=S)N1CCS(=O)(=O)O 2314476387 NRDACBQJCJAPLR-UHFFFAOYSA-N 632.811 4.193 10 10 KICE CCOC(=O)c1ccc(NC(=O)CN2C(=O)C(=Cc3cc(Br)ccc3O)SC2=S)cc1 2314828732 WTNVGKFZNUBSQC-UHFFFAOYSA-N 521.414 4.171 10 10 KICE COc1cc(C=C2SC(=S)N(NC(=O)c3ccc(Cl)cc3Cl)C2=O)ccc1O[C@H](C)C(=O)O 2314932493 MYAWOIWAYQIGRH-SNVBAGLBSA-N 527.407 4.400 10 10 KICE CCOc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](c2ccc(N(C)C)cc2)NN3C(=O)c2cccc(Br)c2)cc1 2959889 WNZSTZVIDAYJGH-DSITVLBTSA-N 563.452 4.174 10 10 KICE CCOC(=O)c1ccc(NC(=O)[C@@H](C)N2C(=O)/C(=C/c3ccc(OC)c(OC)c3)SC2=S)cc1 15047058 SGLBUDCBAAFNRA-KELUXRKGSA-N 500.598 4.109 10 10 KICE COc1cc(/C=C2/C(=N)N3C(SC)=NSC3=NC2=O)cc(OC)c1OCCOc1cccc(C)c1 20114630 QFLOOEKDESJYNK-KUYAPCGNSA-N 512.613 4.410 10 10 KICE COc1cc([N+](=O)[O-])cc([C@@H]2OC(c3ccc(NC(=O)c4cccc(Cl)c4)cc3)=NN2C(C)=O)c1O 64819834 VCRBJJOFEZKHNY-DEOSSOPVSA-N 510.890 4.454 10 10 KICE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(NCc3ccco3)nc12 100885815 BPLYRNQJYPEFER-PXLXIMEGSA-N 584.683 4.412 10 10 KICE COc1ccc(OCC(=O)NN2C(=O)c3cc(Br)ccc3N[C@@H]2c2ccc(N(C)C)cc2)cc1 101316029 SDUNYVYHMJNLGB-DEOSSOPVSA-N 525.403 4.200 10 10 KICE O=C1/C(=C/c2cc(-c3ccc(Br)cc3)nn2-c2ccccc2)SC(=S)N1CCS(=O)(=O)O 102627110 AYRIPETXBLPAHQ-UYRXBGFRSA-N 550.481 4.391 10 10 KICE C[C@@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3\SC(=S)N([C@H]4CCS(=O)(=O)C4)C3=O)c2)C1 256024824 DZLLBKLAWWBQKP-USGPQRSYSA-N 642.850 4.348 10 10 KICE CCC(=O)O[C@H]1[C@H](OC(=O)CC)[C@@](CO[P@]2(=O)OCC[C@@H](c3cccc(Cl)c3)O2)(N=[N+]=[N-])O[C@H]1n1ccc(O)nc1=O 1772502524 DOIJDQFWSCXUHP-LGWRSFCRSA-N 627.931 4.084 10 10 KICE CCc1ccc(OCCCC(=O)N[C@@H](CCSC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1862231542 YPBIFSYJKINHGH-SANMLTNESA-N 513.704 4.003 10 10 KICE CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccccc1)=C(N)O2 1864013235 UAGFUEXYLLIJCV-SANMLTNESA-N 542.611 4.488 10 10 KICE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(F)cc1)=C(N)O2 1864014457 VLBJQFKJKSQYFI-QHCPKHFHSA-N 508.594 4.095 10 10 KICE CC1CCN(C(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3Cc3ccc(F)cc3)[C@H]2c2ccc(O)c(O)c2)CC1 1865034479 XNKHEHHCVHOACH-HXUWFJFHSA-N 546.521 4.454 10 10 KICE CN(C)c1ccc([C@@H](CNC(=O)C[C@H](CNC(=O)C(F)(F)F)c2ccccc2)N2CCCCC2)cc1 1865983836 VSQANRCPHHYKGN-ISKFKSNPSA-N 504.597 4.248 10 10 KICE Cc1cc2nc(C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cc(C3CC3)n2n1 1867170353 ZDZCXCLZRSSUBE-SANMLTNESA-N 585.620 4.376 10 10 KICE CC[C@@](C)(NC(=O)c1cc(C2CC2)n2nc(C)cc2n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867171265 PEQZISJMPCLPLB-SSEXGKCCSA-N 521.577 4.228 10 10 KICE CCCC[C@H](NC(=O)CCc1nc(O)c2ccccc2n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867260962 LHMZEEMPBXXPCB-DEOSSOPVSA-N 536.588 4.357 10 10 KICE CC(=O)Oc1ccc(C[C@H](NC(=O)c2ccc3c(c2)C(=O)N([C@@H](CC(C)C)C(=O)O)C3=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867468887 OHYQUVIPQHNHGV-QGBCWPEESA-N 739.870 4.458 10 10 KICE CC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(CCc1ccc(OC)cc1)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867501383 BBCOWWZSBHVBPS-CZNDPXEESA-N 639.797 4.452 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)C[C@H](c3ccccc3)c3nnc(C)o3)c3ccccc3)CC2)cc1 1868891752 QZIBUPNCDKEHKN-XRKRLSELSA-N 539.636 4.115 10 10 KICE COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2[C@H](Cc3ccccc3)COCC2(C)C)n1 1869102333 OOFFCAOGRNZVMX-AREMUKBSSA-N 531.701 4.227 10 10 KICE CCCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCCCN(CC)CC)ncnc21 1875212302 UKOGJPPKHOKPED-UHFFFAOYSA-N 521.710 4.346 10 10 KICE CCOC(=O)[C@@H]1CCCN(c2nc3c(C)cccn3c(=O)c2C=C2SC(=S)N(C3CCCCC3)C2=O)C1 2296732149 ACRKWKGQLPVWIA-GOSISDBHSA-N 540.711 4.316 10 10 KICE CCCCNc1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(c2c(C)n(C)n(-c3ccccc3)c2=O)C1=O 110077373 RGWNUCKDGCNGFR-QNGOZBTKSA-N 560.705 4.419 10 10 KICE CC[C@@H](NC(=O)CCCOc1cc(C)c(Cl)c(C)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862225621 QPODTKSLJROMRH-XMMPIXPASA-N 502.055 4.368 10 10 KICE CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC(C)C)=C(N)O2 1864011664 XFBMOVRTPKLYES-QFIPXVFZSA-N 527.021 4.125 10 10 KICE Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCc1c[nH]c3ccccc13)[C@H]2c1ccc(O)c(O)c1 1864016840 YMYTUIXFDAEWPH-DEOSSOPVSA-N 521.577 4.033 10 10 KICE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1cccc(C)c1)[C@@H]2c1ccc(O)c(O)c1 1864023240 WHYOOGFCSLDRFX-GOSISDBHSA-N 502.493 4.043 10 10 KICE NC1=C(C(=O)N2CCCC2)[C@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(Cc3ccccc3)c2O1 1865032063 VBKYHVIECVQCBM-XMMPIXPASA-N 508.578 4.327 10 10 KICE CCCc1nn(C)c2c1[C@H](c1ccccc1OC(C)C)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865456155 AJVLVPKTJHLVFN-SANMLTNESA-N 545.684 4.212 10 10 KICE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1cccc(F)c1 1865548874 CDHBCYXMTXRESH-FQEVSTJZSA-N 545.537 4.113 10 10 KICE CCCC[C@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867789424 DKDAAUAIZADDGK-FIBWVYCGSA-N 594.757 4.129 10 10 KICE CCOC(=O)N1CCN(c2nc3c(C)cccn3c(=O)c2C=C2SC(=S)N([C@@H](C)c3ccccc3)C2=O)CC1 2296144922 LYYNDXJQTXRAFL-IBGZPJMESA-N 563.705 4.244 10 10 KICE COc1cc(N2C(=O)NC(=O)C(=Cc3cn(Cc4ccccc4)c4ccccc34)C2=O)cc(OC)c1OC 2296474094 OLPTYBMXKOCIAR-UHFFFAOYSA-N 511.534 4.382 10 10 KICE COc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OC(=O)c1ccccc1F 20236688 ROEGXCDWNFHMBG-ARNWESCTSA-N 500.280 4.266 10 10 KICE COc1ccc(CNc2nc3ccc(C)cn3c(=O)c2/C=C2/SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1 35225862 AZTDEZNQFFNFMC-CIPMJJFUSA-N 522.652 4.004 10 10 KICE CCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCc1ccccc1)=C(N)O2 1864018414 KSLXPUQZIRREKG-AREMUKBSSA-N 542.611 4.488 10 10 KICE CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(CCC)nn2-c2ccc(Cl)cc2)[C@H]1c1ccc(O)c(O)c1 1865029384 LZFKSGLJVXAWFY-HSZRJFAPSA-N 541.048 4.205 10 10 KICE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N(CCO)Cc1ccccc1)[C@H]2c1ccc(O)c(O)c1 1865031185 AXJYQADWZGZTJB-VWLOTQADSA-N 540.620 4.087 10 10 KICE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCc3ccccc3C1)[C@H]2c1ccc(O)c(O)c1 1865033492 ASFVNJPZCUUBQO-FQEVSTJZSA-N 528.531 4.249 10 10 KICE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1ccncc1 1865410070 NKOHEZSNOYDSFV-RUZDIDTESA-N 536.636 4.017 10 10 KICE CC(C)[C@H](CC(=O)N[C@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(Cl)cc1 1866754802 KKKRVBLBEUHNKB-LADGPHEKSA-N 518.997 4.361 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)c3c(C)cc(C)n(-c4ccccc4)c3=O)CC2)cc1 1869012138 RLBBMDPLJSAACW-PMERELPUSA-N 564.686 4.153 10 10 KICE CCOc1ccc(-n2c(C)cc(C=C3C(=N)N4N=C(CC(=O)N5CCCC5)SC4=NC3=O)c2C)cc1 2297499550 LPDHBGMRNSZOIR-UHFFFAOYSA-N 504.616 4.125 10 10 KICE Cc1cc(C=C2C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 2313561155 XCQWNBUAMQMLHP-UHFFFAOYSA-N 509.316 4.431 10 10 KICE Cc1cccn2c(=O)c(C=C3SC(=S)N([C@H]4CCS(=O)(=O)C4)C3=O)c(Sc3ccc(Cl)cc3)nc12 2314401434 YLBKVYKUGXTMGG-HNNXBMFYSA-N 564.135 4.196 10 10 KICE COc1cc(/C=C2/C(=N)N3C(SC)=NSC3=NC2=O)cc(OC)c1OCCOc1ccc(C)cc1 20114632 LPIMBLFUWCDFNH-KUYAPCGNSA-N 512.613 4.410 10 10 KICE COc1ccc(CN2C(=O)/C(=C\c3c(NCCCOC(C)C)nc4ccccn4c3=O)SC2=S)cc1 33930763 TWFIQBBOQIRLEE-RCCKNPSSSA-N 524.668 4.332 10 10 KICE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCCCOc4ccc(C)c(C)c4)cc3)C(=N)N21 101395532 REJCDSRQJZHHNN-HTWVIFJXSA-N 526.640 4.163 10 10 KICE COc1ccc(CCN2C(=O)/C(=C/c3c(C)c(C#N)c(=O)n(C)c3N3CCCCC3)SC2=S)cc1OC 110518680 YHMXTWYPUKUBJX-HAHDFKILSA-N 538.695 4.017 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4cccc(C(=O)O)c4)c3C)c(=O)n2[C@@H]1c1ccc(C)cc1 252669094 GLUZJZQZSIXAAM-HHHXNRCGSA-N 555.656 4.212 10 10 KICE COc1ccc(CCC(=O)N2CCC(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)CC2)cc1OC 1860594167 PZKONNRUQWTIRY-UHFFFAOYSA-N 526.589 4.289 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)COc3c(C)ccc(C)c3C)c3ccccc3)CC2)cc1 1862201275 ZJUMZVRBCYCGAF-MUUNZHRXSA-N 501.627 4.206 10 10 KICE CC[C@H](C)NC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2CC(C)C)[C@H]1c1ccc(O)c(O)c1 1864017763 UQRTUVPICUJJQA-KSFYIVLOSA-N 506.603 4.235 10 10 KICE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)N2CCCC[C@H]2C)[C@@H]3c2ccc(O)c(O)c2)c1 1865028349 SHNFGRGOOZOPBY-IQGLISFBSA-N 502.615 4.363 10 10 KICE CSCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867925025 LXYUICBJKKXMGM-XZWHSSHBSA-N 631.799 4.337 10 10 KICE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccc(F)cc4)cn3Cc3ccncc3)CC2)cc1 1870625653 NEPODRLTWBFYGP-UHFFFAOYSA-N 514.601 4.341 10 10 KICE COc1ccc(Nc2nc(=NCc3ccccc3C)nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]2)cc1 1871560773 GNBZXPOKOGQQKY-UHFFFAOYSA-N 511.630 4.301 10 10 KICE COCCOC(=O)c1ccc(NC(=O)c2ccc(CN3CCN(c4ccc(OC)cc4)CC3)cc2)cc1 1872883892 BWVMJXXMZFPJFJ-UHFFFAOYSA-N 503.599 4.073 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3cccc(C(=O)OC(C)C)c3)C(=O)N(CCN3CCOCC3)C2=O)cc1 1873425658 JYYQIERDYFXIAO-UHFFFAOYSA-N 556.663 4.184 10 10 KICE Cc1cccc(O)c1Cn1nc(I)c(I)c1C(F)(F)F 2079210531 TZCGMCBVBQWRQL-UHFFFAOYSA-N 508.019 4.173 10 10 KICE CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 6354191 DJZIJRVYZZFKCH-OCEWKHMESA-N 558.616 4.033 10 10 KICE Cc1ccc2nc(NCC(C)C)c(/C=C3/SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(=O)n2c1 39723633 YVDAHGVQLSRLRC-AWQFTUOYSA-N 508.625 4.201 10 10 KICE CCCn1c(N2CCOCC2)c(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)c(C)c(C#N)c1=O 39989931 WQEMDIQOYCDUSU-CEZZIEKDSA-N 508.669 4.237 10 10 KICE CN1C(=O)/C(=C/c2cn(Cc3ccccc3F)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 101378761 PTWWTNFGHHMQJT-PCLIKHOPSA-N 531.609 4.367 10 10 KICE CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)cc(Br)c1O 102038234 OHODYMVJRHINFL-QPEQYQDCSA-N 540.233 4.456 10 10 KICE CCOc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc(Cl)c1OCc1ccc(C)cc1 104558848 CURPSDCPVHNWIG-UOSKESRZSA-N 533.031 4.247 10 10 KICE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCCOc4ccc(C)cc4)c(Cl)c3)C(=N)N21 104561520 UQHDISPOAPVPKF-NFBUKIRSSA-N 533.031 4.118 10 10 KICE CCn1c(N2CCN(c3ccccc3)CC2)c(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c(C)c(C#N)c1=O 110522880 QXTCQBRXUHHSGZ-JLPGSUDCSA-N 545.690 4.369 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OCc4ccccc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 252675381 TXUVSHZBIQHLDT-SSEXGKCCSA-N 583.710 4.452 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc(C(=O)OCC)cc4)c3C)c(=O)n2[C@H]1c1cccs1 254757542 WQUODEBJRNFRLV-SANMLTNESA-N 575.712 4.444 10 10 KICE CCc1sc(NC(=O)C(=O)N[C@H](CC(C)C)C(=O)O)c(C(=O)OC)c1-c1ccc(Br)cc1 1860764016 WKJVFIUCYUWZCK-CQSZACIVSA-N 525.421 4.081 10 10 KICE CN(Cc1ccccc1)C(=O)Cn1cc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 1860826535 GFZBZFQEZZBQLU-HYARGMPZSA-N 507.637 4.366 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](CSCc3ccccc3)NC(=O)c3ccccc3F)CC2)cc1 1862116215 FJVJUWAYPFQPNQ-AREMUKBSSA-N 507.631 4.215 10 10 KICE CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1OC)=C(N)O2 1864009601 BUZCPYJSEZJSFI-VWLOTQADSA-N 526.593 4.256 10 10 KICE CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOc1cc(C)cc(C)c1)=C(N)O2 1864014349 SMNLILFEHRLEGV-XMMPIXPASA-N 520.630 4.163 10 10 KICE CCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2Cc2cc(C)ccc2C)[C@@H]1c1ccc(O)c(O)c1 1864017435 MIYGKLPCBBAABE-VWLOTQADSA-N 540.620 4.466 10 10 KICE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC(C)C)=C(N)O2 1864017669 RGHVHFWZYSUHNV-OAQYLSRUSA-N 547.439 4.389 10 10 KICE Cc1nc(CC(=O)N[C@H](CSCc2ccccc2)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)co1 1867226424 QSEFVTKARTZPRB-RUZDIDTESA-N 539.613 4.358 10 10 KICE CC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867746606 BOSYOKJMHBVOGZ-URLMMPGGSA-N 618.244 4.432 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)Cc3nc(-c4ccccc4OC)oc3C)c3ccccc3)CC2)cc1 1868655590 WABIUHYRZURZSW-PMERELPUSA-N 554.647 4.416 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)CCCC(=O)c3cccs3)c3ccccc3)CC2)cc1 1868736244 YESHVBQRXJSYNN-MHZLTWQESA-N 505.640 4.316 10 10 KICE CCCCOc1cn(CCOc2ccc(OC)cc2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870665422 SMPYQHQZMUSSGP-UHFFFAOYSA-N 521.658 4.446 10 10 KICE COc1ccc(N2CCN(C(=O)c3ccc4nc(SCC(=O)N5CCCCCC5)[nH]c4c3)CC2)cc1 1872824994 MPMPCCLLXINEKY-UHFFFAOYSA-N 507.660 4.029 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCc3cccnc3)C(=O)N(CCc3nc4ccccc4[nH]3)C2=O)cc1 1873164026 IWZZHAAWDMOBRJ-UHFFFAOYSA-N 516.605 4.478 10 10 KICE COc1ccc(CN2C(=O)C(=Cc3c(N4C[C@H](C)O[C@@H](C)C4)nc4c(C)cccn4c3=O)SC2=S)cc1 2295979415 HYCJNHNIBLDQHY-ROUUACIJSA-N 536.679 4.027 10 10 KICE CCCCN1C(=O)C(=Cc2c(N3CCN(Cc4ccccc4)CC3)nc3ccccn3c2=O)SC1=S 2296698673 CIZLRXZDWUCSOD-UHFFFAOYSA-N 519.696 4.018 10 10 KICE CCOCCCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(c2c(C)n(C)n(-c3ccccc3)c2=O)C1=O 2314414127 QIJQFOUVGSRERB-UHFFFAOYSA-N 590.731 4.045 10 10 KICE O=C1NC(=S)NC(=O)C1=Cc1ccc(N2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 8425664 VSEWLBDMCFSVPO-VWLOTQADSA-N 562.051 4.074 10 10 KICE CN(C)c1ccc([C@@H]2CC(c3cccc(Br)c3)=NN2C2=NC(=O)[C@H](CC(=O)O)S2)cc1 72413085 SSEAUWSEFXBJNF-OALUTQOASA-N 501.406 4.139 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@H]1c1ccccc1OC 1084635448 GEKAYBNQQRMCAN-MHZLTWQESA-N 527.646 4.214 10 10 KICE COc1ccc(CCN2C(=O)/C(=C/c3c(N4C[C@H](C)O[C@@H](C)C4)nc4ccc(C)cn4c3=O)SC2=S)cc1 1772719137 IYVYXKQPJRKCPF-HNGNLUIFSA-N 550.706 4.069 10 10 KICE Cc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(F)cc1)=C(N)O2 1864011337 GYSKDVJXCSCSOT-VWLOTQADSA-N 549.002 4.497 10 10 KICE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOCC)=C(N)O2 1864012709 HEVKZUOJKMZUMA-QHCPKHFHSA-N 541.048 4.186 10 10 KICE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4-c4cccc(Cl)c4)[C@H]3c3ccco3)CC2)cc1 1865303378 GHRPHHKJMYLOBU-RUZDIDTESA-N 546.027 4.479 10 10 KICE CCN(CC)CCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCc2ccc(F)cc2)C1=O 1873169516 OQFSKHRYEMTXBR-UHFFFAOYSA-N 502.634 4.487 10 10 KICE CCOc1ccc(N2C(=O)C(=Cc3ccc(OC)c(COc4ccc(NC(C)=O)cc4)c3)C(=O)NC2=S)cc1 2295924303 SCHXYAFIRWDUPT-UHFFFAOYSA-N 545.617 4.463 10 10 KICE O=C(CN1C(=O)C(=C2SC(=S)N(C3CCCCC3)C2=O)c2ccccc21)NCCc1ccccc1 2296713447 CDFNITPWLTUYTB-UHFFFAOYSA-N 505.665 4.296 10 10 KICE Cc1ccc(CNC(=O)[C@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)c(O)c1Br 2352950938 ZZDUJUVRGFJFKG-VWLOTQADSA-N 518.452 4.249 10 10 KICE Cc1ccc(C)c(CNC(=O)C2=C(N)Oc3c(c(C)nn3Cc3ccccc3F)[C@@H]2c2ccc(O)c(O)c2)c1 1864009687 KLBHFBPGNHREAX-SANMLTNESA-N 528.584 4.418 10 10 KICE CCCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1864017110 FTEAORRGDSCNFN-IBGZPJMESA-N 503.386 4.374 10 10 KICE CCCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1C)=C(N)O2 1865029183 HUCPYYCGNJHBQD-UUOWRZLLSA-N 502.615 4.391 10 10 KICE CCCC[C@@H](NC(=O)c1c(OC)cccc1OC)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867365776 WIGZUXZQPXVAGY-RPBOFIJWSA-N 524.706 4.402 10 10 KICE CCOc1ccc(CC(=O)Nc2nc(N3CCN(c4ccc(OC)cc4)CC3)nn2-c2ccc(C)cc2)cc1 1869969678 IQEIKYBKZPSPAJ-UHFFFAOYSA-N 526.641 4.491 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCc3nc4ccccc4[nH]3)C(=O)N(Cc3cccnc3)C2=O)cc1 1873168647 DBPJITGFWVAOBP-UHFFFAOYSA-N 502.578 4.435 10 10 KICE Cc1cccc(C)c1OCCOc1ccc(C=C2C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC(C)C)cc1 2297345601 KYVRHGLBDZYGKG-UHFFFAOYSA-N 540.667 4.409 10 10 KICE Cc1ccsc1CN(C(=O)CCCN1C(=O)C(=Cc2ccc(F)cc2)SC1=S)[C@@H]1CCS(=O)(=O)C1 2314600135 JNFUJAQJAOEAMG-LJQANCHMSA-N 552.740 4.393 10 10 KICE CCn1c(NCc2ccc(OC)cc2)c(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c(C)c(C#N)c1=O 40066479 AFDYUVHYCBNQRU-JJUBJSHISA-N 524.668 4.049 10 10 KICE CCCCCN1C(=O)/C(=C\c2c(N3CCN(c4ccccc4)CC3)nc3ccccn3c2=O)SC1=S 102607579 HBSVJLSMSOGWSE-ZBJSNUHESA-N 519.696 4.413 10 10 KICE COc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCc1cccc2ccccc12 104558386 JAKAXVYUFJKBOZ-VYIPLNHISA-N 520.592 4.049 10 10 KICE Cc1ccc(/C=C2/SC(=S)N(CC(=O)N(Cc3ccc(N(C)C)cc3)C[C@H]3CCCO3)C2=O)cc1 205611177 XWPUNHVDVDFKMG-DGEAWOGYSA-N 509.697 4.470 10 10 KICE COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 1083872349 KKEUVMZMQCEWNS-PDGQHHTCSA-N 507.499 4.153 10 10 KICE CC(C)NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)cc2)[C@H]1c1ccc(O)c(O)c1 1864015437 REOYTYANSZAQIW-QGZVFWFLSA-N 522.911 4.234 10 10 KICE CCCC[C@H](NC(=O)Cc1nc(-c2ccccc2OC)oc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868655507 UHWCNRRGBTXEQR-VWLOTQADSA-N 534.657 4.234 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3cnc[nH]3)C(=O)N(Cc3ccc(C(=O)OC(C)C)cc3)C2=O)cc1 1873168638 CWLQXYBTUMLSKN-UHFFFAOYSA-N 551.647 4.495 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NC3CCCCCCC3)C(=O)N(CCN3CCOCC3)C2=O)cc1 1873169364 LMJHNXQUDZKIIT-UHFFFAOYSA-N 504.675 4.209 10 10 KICE CC[C@@H](C)c1ccc(-n2c(C)cc(C=C3C(=N)N4N=C(CC(=O)N5CCOCC5)SC4=NC3=O)c2C)cc1 2297468394 OZFZFOVRZJHEEP-QGZVFWFLSA-N 532.670 4.476 10 10 KICE CCOC(=O)[C@H](c1ccccc1)N1C(=O)C(=Cc2cc(Br)c(OCC(=O)N3CCOCC3)c(OC)c2)SC1=S 2314770055 YOTHGQUNOWKUBX-QHCPKHFHSA-N 635.558 4.201 10 10 KICE CN(C)c1ccc(CN2CCC(N(c3ccc4c(c3)OCO4)S(=O)(=O)c3ccc(F)cc3)CC2)cc1 34683845 JYLXDSKNMUBMJO-UHFFFAOYSA-N 511.619 4.480 10 10 KICE CCCN(CCC)c1nc2ccc(C)cn2c(=O)c1/C=C1/SC(=S)N(CCCCCC(=O)O)C1=O 102688246 FUWUVJUFYBVPQJ-XDJHFCHBSA-N 516.689 4.476 10 10 KICE CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C\N1CCN(/C=C2/C(=O)N(c3ccc(C)cc3C)N=C2C)CC1 103764331 YXQHRSFPAXBOKJ-WTHRLWDASA-N 510.642 4.451 10 10 KICE Cc1ccc2nc(N3CCN(Cc4ccccc4)CC3)c(/C=C3\SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(=O)n2c1 105612629 GZGSHUIYUZFXPN-YUMHPJSZSA-N 611.749 4.455 10 10 KICE CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(sc(=Cc3ccc(N(C)C)c(Br)c3)c2=O)=N1 1084362624 FXPRRWXBPHYILE-SANMLTNESA-N 614.562 4.424 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@@H]1c1ccccc1OC 1084635447 GEKAYBNQQRMCAN-HHHXNRCGSA-N 527.646 4.214 10 10 KICE COC(=O)c1c(NC(=O)CN2C(=O)Cc3ccccc3C2=O)sc(C)c1-c1ccc(Br)cc1 1866217550 ONNBTJDONOGHOQ-UHFFFAOYSA-N 527.396 4.436 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(OC(C)=O)cc3)NC(=O)c3cccc(-n4cccc4)c3)CC2)cc1 1868615093 XNKPYYPDECGGMO-HKBQPEDESA-N 566.658 4.101 10 10 KICE CC[C@H](C)N1C(=O)C(=Cc2c(N3CCN(Cc4ccccc4)CC3)nc3c(C)cccn3c2=O)SC1=S 2296845235 MHGNPHYTXKDBQN-FQEVSTJZSA-N 533.723 4.325 10 10 KICE COc1ccccc1N1CCN(c2nc3ccc(C)cn3c(=O)c2C=C2SC(=S)N(Cc3ccco3)C2=O)CC1 2296943266 WGDVMNDZRHITSN-UHFFFAOYSA-N 573.700 4.333 10 10 KICE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCC(=O)O)C2=O)c1 101013538 OPUWLAKWTCAEHE-JWGURIENSA-N 570.718 4.246 10 10 KICE COc1ccc(/C=C2/SC(=S)N(CCC(=O)N(Cc3ccc(Cl)cc3)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 102998015 XQJHKYRIELVDEX-YRXLECQKSA-N 565.138 4.156 10 10 KICE C[C@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3/SC(N4CCOCC4)=NC3=O)c2)C1 110559531 OFZHEBMJJQHJFI-AFDYPQSWSA-N 577.732 4.262 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)cc1 1084097605 GOTZKQFYTIRFHJ-HHHXNRCGSA-N 527.646 4.214 10 10 KICE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1C)=C(N)O2 1865029296 KBQCWNIAJXZKTD-BXKMTCNYSA-N 518.614 4.340 10 10 KICE CC[C@H](NC(=O)c1cc(-c2cccc(OC)c2)on1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867145516 HKDMKIXSGFBNJZ-NRFANRHFSA-N 509.518 4.273 10 10 KICE CN(C)c1ccc([C@@H](CNC(=O)C(C)(C)NC(=O)c2cccc(Br)c2)N2CCCCC2)cc1 1867407963 MJCNAACXRNXQIX-HSZRJFAPSA-N 515.496 4.367 10 10 KICE CCn1c(C(=O)NCc2ccccc2Cl)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873570121 WXWJJQKHZBBQKC-UHFFFAOYSA-N 505.022 4.370 10 10 KICE COc1ccc(N2CCN(CCC(=O)c3ccc(NC(=O)C4(c5ccc6c(c5)OCO6)CC4)cc3)CC2)cc1 1874756627 ILRZZINJFDIIML-UHFFFAOYSA-N 527.621 4.489 10 10 KICE Cc1ccc(OCCOc2ccc(C=C3C(=N)N4N=C(S(=O)(=O)CC(C)C)SC4=NC3=O)cc2)cc1 2297346449 GETCRECGLXSUNX-UHFFFAOYSA-N 526.640 4.100 10 10 KICE CCOC(=O)c1c(COc2ccc([N+](=O)[O-])cc2)n(C)c2cc(Br)c(O)c(CN(C)C)c12 22521214 PHPRPVUIUUGHOL-UHFFFAOYSA-N 506.353 4.372 10 10 KICE Cc1c(/C=C2\SC(=S)N(C3CCCCC3)C2=O)c(NCc2ccc3c(c2)OCO3)n(C)c(=O)c1C#N 40066620 HQSJEEQAJIUCEE-JJFYIABZSA-N 522.652 4.440 10 10 KICE Cc1cc(N2C(=O)NC(=O)/C(=C/Nc3c(C)nn(Cc4ccccc4)c3C)C2=O)ccc1Br 59858830 KARIHFJQPLQNFQ-UNOMPAQXSA-N 508.376 4.198 10 10 KICE CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1c(OC)ccc2ccc(OC)cc12 100590808 IDUNZPOCARGLCF-NKYAOSOXSA-N 557.672 4.035 10 10 KICE Cc1ccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2Cl)c(C)c1 101398087 RSKAGRVSUQNBEX-SVBOREBNSA-N 533.031 4.036 10 10 KICE Cc1ccc(/C=C2\SC(=S)N(CC(=O)N(Cc3ccc([C@@H]4C[C@H]4C)o3)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 101911323 XKTYEIZRQAHNLO-ZFISSMNSSA-N 544.720 4.129 10 10 KICE COc1ccc(/C=C2\SC(=S)N(CCC(=O)N(Cc3ccc([C@@H]4C[C@@H]4C)o3)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 101911412 CEUSTVFLZUWVAX-URBXBHEPSA-N 574.746 4.219 10 10 KICE O=C(CCCN1C(=O)/C(=C2/SC(=S)N(CCCC(=O)Nc3ccc(C(=O)O)cc3)C2=O)SC1=S)Nc1ccc(C(=O)O)cc1 150601982 ZGBBQZRXTIMBOT-DQRAZIAOSA-N 672.788 4.153 10 10 KICE Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(Cl)cc1)=C(N)O2 1864009051 YKJBQPJIUXFLKI-VWLOTQADSA-N 531.012 4.358 10 10 KICE Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)NCC(C)C)[C@H]3c2ccc(O)c(O)c2)cc1 1864015596 SMPZJKUKONPRNX-IBGZPJMESA-N 516.520 4.137 10 10 KICE CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H]1CCCC[C@@H]1C)=C(N)O2 1864018433 LAEKMTUSIXOKNT-SWDVRCMSSA-N 520.605 4.434 10 10 KICE CCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCc3ccccc3C1)=C(N)O2 1865033097 RODNCQDGXIRIDP-MHZLTWQESA-N 536.632 4.493 10 10 KICE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1cccc(F)c1 1865548876 CDHBCYXMTXRESH-HXUWFJFHSA-N 545.537 4.113 10 10 KICE CN(C)c1ccc([C@@H](CNC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)N2CCCCC2)cc1 1867795799 QHNFXNPXPHGBRF-QCENPCRXSA-N 586.737 4.411 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)/C(C)=C/c3cccc(Cl)c3)CC2)cc1 1868750343 LFFBCTLIRFRBJV-HJMGBZSKSA-N 502.080 4.339 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)c3cc(C)n(-c4ccccc4F)n3)CC2)cc1 1868983996 PTCCMOHYKCCTBC-MUUNZHRXSA-N 541.627 4.018 10 10 KICE CN(C(=O)COc1cn(CCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O)C1CCCCC1 1870940580 VBUPIQQENAXKHY-UHFFFAOYSA-N 504.631 4.366 10 10 KICE O=C(CN1C(=O)C[C@H](N2C(=O)C(=CC=Cc3ccccc3)SC2=S)C1=O)Nc1cccc(C(F)(F)F)c1 2040480907 BYRMONTUGSKGTD-SFHVURJKSA-N 545.564 4.229 10 10 KICE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)c1ccc(N)c2c1CCN(C(=O)OC(C)(C)C)C2 2044724110 HXRCRFZQHILGAY-UHFFFAOYSA-N 549.713 4.418 10 10 KICE COc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)o1 2294229461 VZVKQWQZOSPMTO-UHFFFAOYSA-N 528.340 4.457 10 10 KICE COc1cccc(OCCCOc2ccc(C=C3C(=N)N4C(SC)=NSC4=NC3=O)cc2OC)c1 2297345115 RVJKGCFMXQQKTR-UHFFFAOYSA-N 512.613 4.491 10 10 KICE Cc1ccc(C)c(OCCOc2ccc(C=C3C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2Cl)c1 2297346221 NIYHUMKYGBEALJ-UHFFFAOYSA-N 533.031 4.036 10 10 KICE CC1=NN(c2ccc(F)cc2)C(=O)C1=Cc1c(C)nn(-c2ccc(I)cc2)c1O 2297456041 PBGYHHIKHIRCDP-UHFFFAOYSA-N 502.287 4.436 10 10 KICE Cc1cc(C=C2C(=O)NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(N2CCOCC2)c(Br)c1 2313631149 CISHBISIXHOTFN-UHFFFAOYSA-N 563.452 4.355 10 10 KICE O=C(O)CCN1C(=O)C(=C2C(=O)N(Cc3ccc(Br)cc3)c3ccccc32)SC1=S 2326944783 YCPKABQGQRBGCQ-UHFFFAOYSA-N 503.399 4.042 10 10 KICE Cc1ccc2nc(N3C[C@@H](C)C[C@@H](C)C3)c(/C=C3\SC(=S)N(CCCCCC(=O)O)C3=O)c(=O)n2c1 33452777 RQAMBMHBFDNICU-YVWUKRILSA-N 528.700 4.331 10 10 KICE CCCC[C@@H](CC)CN1C(=O)/C(=C/c2c(N3CCOCC3)nc3ccc(C)cn3c2=O)SC1=S 33492730 WDZDBLUIADOEHO-WRDGEJPTSA-N 500.690 4.257 10 10 KICE CC[C@H](C)N1C(=O)/C(=C\c2c(N3CCN(c4ccccc4)CC3)nc3ccc(C)cn3c2=O)SC1=S 35363197 FEUPFGARLUACBZ-QZMYASAMSA-N 519.696 4.329 10 10 KICE COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3C)C2=O)cc(I)c1O 103814602 DHGHADWSMBLJIZ-WUXMJOGZSA-N 571.165 4.051 10 10 KICE COc1cc(/C=C2/C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 105792574 AQRFGVHTEHUPKY-UWZLSMKUSA-N 593.599 4.069 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)cc3OC)c(=O)n2[C@H]1c1ccc(SC)cc1 254704697 PKZDSAMTANCQMU-SANMLTNESA-N 551.734 4.375 10 10 KICE NC1=C(C(=O)NC2CCCC2)[C@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(Cc3ccc(F)cc3)c2O1 1864014859 FBYGUGPVGSPIMC-LJQANCHMSA-N 532.494 4.254 10 10 KICE CCc1nn(CC(C)C)c2c1[C@@H](c1ccccc1C)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865664045 YXDDQNTUAHCFKL-AREMUKBSSA-N 529.685 4.462 10 10 KICE O=C(Cc1ccc2c(c1)OCCO2)N[C@H](Cc1ccc(F)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866606487 LSBVEWOGKAMCIN-AREMUKBSSA-N 564.569 4.281 10 10 KICE CC[C@H](NC(=O)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866629858 YPZHBIUARKYEKJ-QFIPXVFZSA-N 580.062 4.193 10 10 KICE CSCC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccc3c(c1)OCO3)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867448618 AJROJJXDFJLLDE-FIRIVFDPSA-N 685.847 4.472 10 10 KICE CC[C@@](C)(NC(=O)CCc1csc(-c2ccccc2)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868906530 SEYFYXXTYCCAMF-MUUNZHRXSA-N 506.672 4.385 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)c3nc(C(F)(F)F)n4ccccc34)CC2)cc1 1869060285 NQMATUHDIGRPHY-QHCPKHFHSA-N 569.559 4.191 10 10 KICE COc1ccc(N2CCN(Cc3cc(=O)c(OCCc4ccccc4)cn3CCCCCCO)CC2)cc1 1870692430 DQZOUGWDJGWVJF-UHFFFAOYSA-N 519.686 4.353 10 10 KICE CCOC(=O)c1ccc(N2NC(=O)C(=Cc3ccc(-c4ccc(Br)cc4C(=O)O)o3)C2=O)cc1 2293201989 FQJOGTZGTMSFHO-UHFFFAOYSA-N 525.311 4.045 10 10 KICE CCOc1ccc(NS(=O)(=O)c2ccc(NC=C3C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)cc2)cc1 2297100854 ZSZNEHBDSBAXJL-UHFFFAOYSA-N 540.985 4.118 10 10 KICE COc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC(C)C)ccc1OCc1cccc(C)c1 2297345574 IWZUIRQCGBTKOD-UHFFFAOYSA-N 526.640 4.230 10 10 KICE Cc1noc(/C=C/c2ccccc2F)c1S(=O)(=O)N1CCC(C(=O)NCc2ccc(N(C)C)cc2)CC1 33058943 ODRCIPXTVMFDKF-JLHYYAGUSA-N 526.634 4.076 10 10 KICE CCN(CC)c1ccc(CN(CCOC)C(=O)NC(C)(C)C)c(OS(=O)(=O)c2ccc(OC)cc2)c1 37422920 QHUQYRXJMTXAAP-UHFFFAOYSA-N 521.680 4.266 10 10 KICE CCOC(=O)N1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N(Cc3ccccc3Cl)C2=O)CC1 100849989 KUYFDPZEZDPTJM-RCCKNPSSSA-N 584.123 4.336 10 10 KICE CCOC(=O)C(=O)N1c2c(C)cc(C)cc2C(=C2SC(C(=O)OC)=C(C(=O)OC)S2)C(=S)C1(C)C 101268534 CLQMQIIZRAFDMX-UHFFFAOYSA-N 535.665 4.068 10 10 KICE Cc1c(N2C(=O)/C(=C/c3c(NC4CCCC4)nc4ccccn4c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C 110076632 VHUZOXREMRTKEU-PGMHBOJBSA-N 558.689 4.253 10 10 KICE Cc1ccc(N2C(=O)[C@@H]3[C@H](c4cc(Br)ccc4O)N[C@](Cc4ccc(O)cc4)(C(=O)O)[C@@H]3C2=O)cc1Cl 248152098 KFHCRRFSOKYCKH-FAWUNYRSSA-N 585.838 4.338 10 10 KICE Cc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCC1=CCCCC1)=C(N)O2 1864010930 BZIBKWCEPUCASB-VWLOTQADSA-N 518.589 4.491 10 10 KICE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccnc1)=C(N)O2 1864011353 SMQWVGPLVUSRND-QHCPKHFHSA-N 532.000 4.295 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCC[C@H]4C(=O)N=c4cc(C)o[nH]4)nc(-c4ccccc4C)n3)CC2)cc1 1869138851 AANHEEUNQRCDIY-SANMLTNESA-N 553.667 4.113 10 10 KICE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccccc4F)cn3Cc3ccccn3)CC2)cc1 1870347161 SGKIJEZVRWVNQA-UHFFFAOYSA-N 514.601 4.341 10 10 KICE N=c1[nH]nc(COc2cn(Cc3cccnc3)c(CNc3ccc(Nc4ccccc4)cc3)cc2=O)s1 1871026447 WIOBUDWAUXEAEZ-UHFFFAOYSA-N 511.611 4.490 10 10 KICE COCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCc3ccc(Cl)cc3)ncnc21 1875227732 ZBNCSCIZGRSDMA-UHFFFAOYSA-N 535.048 4.314 10 10 KICE COc1ccc(N2CCN(C(=O)c3cc4c(NCc5ccccn5)ncnc4n3Cc3ccco3)CC2)cc1 1875237796 UQALCELGWVYKAB-UHFFFAOYSA-N 523.597 4.051 10 10 KICE CCOc1c(Br)cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1Br 2313557620 HWBCJXGLHWLRAE-UHFFFAOYSA-N 512.129 4.416 10 10 KICE CCN1C(=O)C(=C2SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)c2cc(Br)ccc21 2314764374 ATWBEPMBXUFZKL-UHFFFAOYSA-N 522.833 4.385 10 10 KICE CCOC(=O)c1ccc(NC(=O)CN2C(=O)C(=Cc3ccc(Br)cc3)SC2=S)cc1 2314827688 KGFYEJOCKKUVJU-UHFFFAOYSA-N 505.415 4.466 10 10 KICE Cc1ccc(CN(C)C(=O)[C@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)c(O)c1Br 2352659771 BSTNTPICFFIBGO-FQEVSTJZSA-N 520.468 4.447 10 10 KICE CCCNc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(CCc2ccc(OC)c(OC)c2)C1=O 33923103 IUUZGOWLPNVSLA-RCCKNPSSSA-N 524.668 4.286 10 10 KICE CC(=O)Nc1ccc(/C=C2/SC(=O)N(CCN3C(=O)S/C(=C/c4ccc(N(C)C)cc4)C3=O)C2=O)cc1 100254459 PLVARDSYVMFTFA-NNFYUIBOSA-N 536.635 4.484 10 10 KICE O=C(O)CCN1C(=O)/C(=C\c2c(Oc3ccc(Cl)cc3Cl)nc3ccccn3c2=O)SC1=S 101062213 FSJCEDAXFOITEX-XNTDXEJSSA-N 522.391 4.470 10 10 KICE COc1ccc(/C=C2\SC(Nc3nnc(SCC(=O)Nc4ccc(C(=O)O)cc4)s3)=NC2=O)cc1 102371621 LMKXFSYHTIFVKI-YBEGLDIGSA-N 527.609 4.058 10 10 KICE COc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1OC 102516182 QWRRGZVQKZHORJ-HAHDFKILSA-N 549.630 4.268 10 10 KICE CCOC(=O)c1c(NC(=O)C(=O)Nc2ccc(N3CCOCC3)cc2)sc(C)c1-c1ccc(F)cc1 1860746729 AHAUIKPFOGLJTE-UHFFFAOYSA-N 511.575 4.453 10 10 KICE CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(Cl)cc1)=C(N)O2 1864022860 ZGFAIWSNSFXWCM-JOCHJYFZSA-N 511.022 4.220 10 10 KICE CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)O[C@H](C)C1)=C(N)O2 1865028965 CEBMLEYYTMVHJU-LNPFQXMTSA-N 539.032 4.220 10 10 KICE COc1ccc(N2CCN(c3cc(N4CC(=O)N5CCc6c(F)cccc6[C@@H]5C4)nc(C(C)C)n3)CC2)cc1 1869103944 SBYTZKVMRYEMAA-SANMLTNESA-N 530.648 4.020 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCc5ccc(S(N)(=O)=O)cc5C4)nc(-c4ccc(Cl)cc4)n3)CC2)cc1 1869255102 XAEZLCZEMRYPLU-UHFFFAOYSA-N 591.137 4.342 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCCCCN(C)C)C(=O)N(Cc3nc4ccccc4[nH]3)C2=O)cc1 1873167464 IPGHWFZVGHKSCC-UHFFFAOYSA-N 510.642 4.182 10 10 KICE CC[C@H](C)N1C(=O)C(=Cc2c(N3CCN(Cc4ccccc4)CC3)nc3ccc(C)cn3c2=O)SC1=S 2296721757 PKINDBXGYDXYSB-FQEVSTJZSA-N 533.723 4.325 10 10 KICE COc1ccc(C=C2C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cc1COc1ccc(NC(C)=O)cc1 2296925370 ANEDEYRFKWSMFE-UHFFFAOYSA-N 515.591 4.372 10 10 KICE COc1ccc(OC)c(NC(=O)COC(=O)CCN2C(=O)/C(=C\C=C\c3ccccc3)SC2=S)c1 12555400 PKJNYZSACQNMNP-DVMKSOMISA-N 512.609 4.033 10 10 KICE COc1ccc(CCN2C(=O)/C(=C/c3c(C)c(C#N)c(=O)n(C)c3N3CCC[C@H](C)C3)SC2=S)cc1 33812147 YMXAFEUGYFFXLF-PGECNJAHSA-N 522.696 4.254 10 10 KICE COc1ccc(CNc2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(Cc3ccco3)C2=O)cc1 35225861 KNGOLDGHBUBGKN-DEDYPNTBSA-N 504.593 4.310 10 10 KICE CC(C)C(=O)N[C@H](Oc1ccc(/C=C2/SC(=S)N(CCC(=O)O)C2=O)cc1)C(Cl)(Cl)Cl 102630494 QXOARTSOSHWIES-JZUUQJBKSA-N 525.863 4.210 10 10 KICE NS(=O)(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C/c3cc(Br)cc(Br)c3O)SC2=S)cc1 150441041 JYQFQMMBCFWZGJ-SXGWCWSVSA-N 635.381 4.185 10 10 KICE CCCCCSC1=NC(=O)C2=c3cc(Br)ccc3=N[C@H](c3ccc(N(CC)CC)cc3)N2N1 588226045 GQPOBHCZTSLTLD-QHCPKHFHSA-N 528.520 4.362 10 10 KICE CCC[C@H](NC(=O)COc1ccc(OC)cc1C(C)(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862174946 RTELIPPMFVFXRV-VWLOTQADSA-N 511.663 4.014 10 10 KICE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)N2CCOc4ccccc42)[C@H]3c2ccc(O)c(O)c2)c1 1865025749 CTXDNFYVXAHPRT-MHZLTWQESA-N 538.604 4.388 10 10 KICE COc1cc(/C=C2\C(=O)N(c3ccccc3Cl)N=C2C(F)(F)F)ccc1OCCN1CCOCC1 1865665200 GUQJESRPRQVZSY-VKAVYKQESA-N 509.912 4.408 10 10 KICE CCOC(=O)Oc1ccc(C(=O)NC(C)(C)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867294174 SNNVWDUYFUEINH-RUZDIDTESA-N 524.662 4.140 10 10 KICE CN(C)c1ccc([C@@H](CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2ccc(F)cc2)N2CCCCC2)cc1 1867342744 RLZFHZUTBJTYDZ-URLMMPGGSA-N 532.660 4.282 10 10 KICE CCCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCC[C@H]2C(=O)N=c2cc(C)o[nH]2)n1 1868387121 RYEPBMAIQQTIPD-QFIPXVFZSA-N 536.592 4.274 10 10 KICE CC[C@@H](NC(=O)Cc1nc(-c2cccc(Br)c2)oc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869007898 QTBNJVCUJQBCLK-HSZRJFAPSA-N 555.473 4.207 10 10 KICE COCCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCc3ccc(OC)c(OC)c3)ncnc21 1875222551 IZTGZVNDRIOCAD-UHFFFAOYSA-N 574.682 4.068 10 10 KICE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 2313557799 MEZQAFBLINOZLO-UHFFFAOYSA-N 505.458 4.378 10 10 KICE CC(=O)Nc1ccc(-n2c(C)cc(C=C3C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)c2C)cc1 2313559508 CMBGYVJUZMPJHN-UHFFFAOYSA-N 521.371 4.481 10 10 KICE COc1cc(NC(=S)NC(=O)c2cc(Br)ccc2Cl)c(N2CCOCC2)cc1OC 20496584 KGRJEUTWXZBABT-UHFFFAOYSA-N 514.829 4.083 10 10 KICE CCCC[C@@H](CC)CN1C(=O)/C(=C\c2c(N3CCC4(CC3)OCCO4)nc3ccccn3c2=O)SC1=S 100920168 KGZPVXUDPVLTHA-OXMAITBSSA-N 542.727 4.455 10 10 KICE O=C1/C(=C/c2ccc(F)cc2)SC(=S)N1CCC(=O)N(Cc1ccc(N2CCCCC2)o1)[C@@H]1CCS(=O)(=O)C1 101909622 UUEQVRAZTIKRPE-RGNNIMSVSA-N 591.752 4.216 10 10 KICE COCCCN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(C)c2N2CCC(Cc3ccccc3)CC2)SC1=S 110571964 IDXRLRATZRKDJA-JJIBRWJFSA-N 536.723 4.262 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3cccc(Br)c3)c3ccccc3)CC2)cc1 1862041506 LSDFJZGLFJEWNA-DEOSSOPVSA-N 508.416 4.278 10 10 KICE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccs1)=C(N)O2 1864010927 BYKFDCIOTJRILJ-QFIPXVFZSA-N 523.014 4.377 10 10 KICE Cc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H]1CCCC[C@H]1C)=C(N)O2 1864011963 NUCJPKHCJDWPHD-VNOPPTIDSA-N 506.578 4.180 10 10 KICE Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](C)C1)=C(N)O2 1865027464 YOHTYXVTWMRRRC-PSLXWICFSA-N 526.996 4.397 10 10 KICE CCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCCC1)=C(N)O2 1865033438 ZOVFYPSUYYXSPN-DEOSSOPVSA-N 502.615 4.311 10 10 KICE CCCCOC(=O)c1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCNC(C)=O)C2=O)cc1 1873422156 IWZLZYVLVDJCFD-UHFFFAOYSA-N 542.636 4.379 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(Cl)cc3[N+](=O)[O-])C(=O)N(CCN3CCOCC3)C2=O)cc1 1873426035 SECDYEBGKOOFKC-UHFFFAOYSA-N 550.015 4.180 10 10 KICE COc1cc(C=C2SC(=S)N(NC(=O)c3ccc(Cl)cc3Cl)C2=O)ccc1O[C@@H](C)C(=O)O 2314932492 MYAWOIWAYQIGRH-JTQLQIEISA-N 527.407 4.400 10 10 KICE CCOc1cc(/C=C2/C(=N)N3C(SC)=NSC3=NC2=O)ccc1OCCOc1cccc(OC)c1 20154729 HBSQZUTYPGJGAK-JLFKZYKSSA-N 512.613 4.491 10 10 KICE O=C1N=C(NC2CCCCC2)S/C1=C/c1ccc(-c2ccc(S(=O)(=O)Nc3ncccn3)cc2)o1 97990779 PYGRLARFBNKXTA-RCCKNPSSSA-N 509.613 4.430 10 10 KICE COc1ccc(CN2C(=O)/C(=C/c3c(C)c(C#N)c(=O)n(C)c3N3CCN(c4ccc(F)cc4)CC3)SC2=S)cc1 110520443 LTCUVVCZZRTLBZ-QQXSKIMKSA-N 589.718 4.441 10 10 KICE COc1ccc([C@@H](C)NC(=O)C2=C(N)Oc3c(c(C)nn3-c3ccccc3)[C@@H]2c2ccc(O)c(O)c2)cc1OC 1864007545 PFBPYXPPQXPLSD-DXPJPUQTSA-N 542.592 4.181 10 10 KICE CCCc1nn(CCC)c2c1[C@@H](c1ccc(OC)cc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865636492 CSYGNCHATUVDBY-AREMUKBSSA-N 545.684 4.306 10 10 KICE CC[C@H](NC(=O)c1c(C)cc(C)n(-c2ccccc2)c1=O)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867216896 UZCPQAVUCVIRQW-DEOSSOPVSA-N 533.584 4.377 10 10 KICE CCC[C@@H](NC(=O)[C@@H](Cc1ccncc1)c1ccccc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868673139 JJEJDKOLDHPOJR-WUFINQPMSA-N 500.643 4.050 10 10 KICE COC(=O)c1ccc(CN2C(=O)C(NCc3ccccn3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873164160 OXUBJEWDUXLBCK-UHFFFAOYSA-N 520.589 4.346 10 10 KICE CC(=O)NCCN1C(=O)C(Nc2ccc(OCC(C)C)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422445 XTLBDCCMSZCGNA-UHFFFAOYSA-N 514.626 4.457 10 10 KICE COc1ccc(N2CCN(CCC(=O)c3cccc(NC(=O)COc4ccccc4OC)c3)CC2)cc1 1874724475 LCRIDVWQRHAMCH-UHFFFAOYSA-N 503.599 4.116 10 10 KICE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC(NCc2cccc(Br)c2O)C1 2250306344 GBAXAVNCUHICLK-UHFFFAOYSA-N 500.434 4.101 10 10 KICE COc1cc(C=C2C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)ccc1OCc1ccccc1C 2296055641 SZKMWGJTBGFSSG-UHFFFAOYSA-N 517.611 4.214 10 10 KICE O=C1C(=Cc2c(N3CCc4ccccc4C3)nc3ccccn3c2=O)SC(=S)N1Cc1ccco1 2296848548 CYTYNZGVOMZLFZ-UHFFFAOYSA-N 500.605 4.252 10 10 KICE CCSC1=NSC2=NC(=O)/C(=C\c3ccc(OCCOc4ccc(OC)cc4)c(OC)c3)C(=N)N12 20154845 NFLFYWOYRHDCLG-LCQIMXFNSA-N 512.613 4.491 10 10 KICE CCOCCCN1C(=O)/C(=C\c2c(N3CCc4ccccc4C3)nc3c(C)cccn3c2=O)SC1=S 35190217 MFVYPRIJUFIFHG-CJLVFECKSA-N 520.680 4.193 10 10 KICE COc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc(Cl)c1OCc1ccccc1Cl 104558367 QEMLGRQCPDXSHC-WVIXDYEQSA-N 539.422 4.202 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 1084065374 KBBSDWATBODXJG-LJAQVGFWSA-N 659.677 4.482 10 10 KICE O=C1c2ccccc2C(=O)c2cc(NC(=O)C3CCN(C(=O)COc4ccccc4Cl)CC3)ccc21 1860593248 ZSYIYXJBHRLSFB-UHFFFAOYSA-N 502.954 4.372 10 10 KICE Cc1ccc(C)c(CNC(=O)C2=C(N)Oc3c(c(C)nn3Cc3ccccc3)[C@@H]2c2ccc(O)c(O)c2)c1 1864008819 SPVVSOMDUGSSAI-SANMLTNESA-N 510.594 4.279 10 10 KICE CCCCOCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1 1864017332 JTOPRFHLVIUKFQ-DEOSSOPVSA-N 520.630 4.172 10 10 KICE CCc1ccc([C@H](C)NC(=O)C2=C(N)Oc3c(c(CC)nn3-c3ccccn3)[C@@H]2c2ccc(O)c(O)c2)cc1 1864019029 UPLGIMAWGAMMHV-GKVSMKOHSA-N 525.609 4.375 10 10 KICE CCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCC1)=C(N)O2 1864019128 GRMLSQWZMSBHSB-NRFANRHFSA-N 539.430 4.362 10 10 KICE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4-c4ccccc4)[C@H]3c3ccccc3)CC2)cc1 1865013612 ZTDYEKWIXBEYHG-HHHXNRCGSA-N 521.621 4.233 10 10 KICE CC[C@H](NC(=O)Cc1ccc2nc(O)c(C)cc2c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866919060 VNGMVJJHBNUIFG-QFIPXVFZSA-N 507.546 4.100 10 10 KICE CN(C)c1ccc([C@@H](CNC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccc([N+](=O)[O-])cc2)N2CCCCC2)cc1 1867360173 ICHGSIRYRDGEBA-URLMMPGGSA-N 543.668 4.345 10 10 KICE CN(C)c1ccc([C@@H](CNC(=O)C(C)(C)NC(=O)c2ccccc2Br)N2CCCCC2)cc1 1867378896 REABCZCXINSARY-HSZRJFAPSA-N 515.496 4.367 10 10 KICE CC[C@@](C)(NC(=O)c1ccc2c(c1)C(=O)N(CC(C)C)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867424191 XXBWQHSKODYWIY-QPQHGXMVSA-N 575.754 4.247 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](Cc3ccncc3)c3ccccc3)CC2)cc1 1868673671 PWXSKXUFBFKDND-ZWXJPIIXSA-N 564.686 4.198 10 10 KICE C[C@H](O)Cn1cc(OCC(=O)NCc2ccccc2)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870820674 QUMVBSPEGKYYAS-QFIPXVFZSA-N 512.610 4.280 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(N(C)C)cc3)C(=O)N(CCCN3CCOCC3)C2=O)cc1 1873426187 VVGXKEUJFDLSML-UHFFFAOYSA-N 527.669 4.074 10 10 KICE COc1cc(C=C2SC(=S)N(CCC(=O)Nc3ccc(C(C)=O)cc3)C2=O)cc(OC)c1OC 2297306925 SGDLSHMVFUKGTA-UHFFFAOYSA-N 500.598 4.145 10 10 KICE CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3O)c(=O)n2[C@H]1c1ccccc1Cl 2163915 XVSUAWIMTNWRFS-YMSBRDKKSA-N 526.058 4.004 10 10 KICE O=S(=O)(NC[C@H]1CCCO1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc(Br)ccc1O)N2 14461235 OACYRSBTFXIYPG-SAQZZPNQSA-N 505.434 4.439 10 10 KICE CN(C)c1ccc([C@H]2CC(c3ccc(Br)cc3)=NN2C2=NC(=O)[C@H](CC(=O)O)S2)cc1 72413112 PNHNYXOGCNXLBJ-MOPGFXCFSA-N 501.406 4.139 10 10 KICE CCOc1cc(/C=C2/C(=O)N(c3ccc(CC)cc3)C(=O)N=C2O)cc(I)c1O 96475890 SAKWPXAAZYYANW-OQLLNIDSSA-N 506.296 4.465 10 10 KICE CCN(CC)C(=O)COc1c(Br)cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1OC 101743584 XPVPGXFMSRZHFZ-CPNJWEJPSA-N 578.510 4.251 10 10 KICE Cc1ccc2nc(NCCCOC(C)C)c(/C=C3/SC(=S)N(CCCCCC(=O)O)C3=O)c(=O)n2c1 102988933 ZEUTWRVPZAKQCX-XMHGGMMESA-N 532.688 4.076 10 10 KICE O=[IH2]N([IH2]=O)c1ccc(/N=N\c2ncc(Br)s2)c(C(=O)O)c1 368032448 XPJFHLIMODHFRY-NXVVXOECSA-N 614.985 4.217 10 10 KICE CCc1sc(NC(=O)C(=O)N[C@@H](C(=O)O)[C@H](C)CC)c(C(=O)OC)c1-c1ccc(Br)cc1 1860763962 UGKJHWHXYMYYBE-PIGZYNQJSA-N 525.421 4.081 10 10 KICE CCN(CCc1ccncc1)C(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1 1865027895 NESBPIVAIWFVME-SANMLTNESA-N 525.609 4.081 10 10 KICE CCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](C)C1)=C(N)O2 1865032709 IVFGUYCTCHCDCA-NYHFZMIOSA-N 509.006 4.452 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)[C@@H](CC(C)C)c3ccc(OC)c(Br)c3)CC2)cc1 1869006715 DJLITHWCAGJLLW-XXBNENTESA-N 546.506 4.450 10 10 KICE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)N3CCC[C@@H](C)C3)n4Cc3ccco3)CC2)cc1 1873563023 DQLSLYCHWGVMDX-OAQYLSRUSA-N 514.630 4.280 10 10 KICE O=C(NC1CC1)c1nn(Cc2cc(C(F)(F)F)ccc2O)c(C(F)(F)F)c1I 2079259370 VUYWLHMNSYXCBI-UHFFFAOYSA-N 519.183 4.171 10 10 KICE COc1ccc(N2CCN(C(=O)c3ccc(S(=O)(=O)c4cccc(Cl)c4)c([N+](=O)[O-])c3)CC2)cc1 20663617 DOSYQKXNACKLFX-UHFFFAOYSA-N 515.975 4.052 10 10 KICE Cc1ccsc1CN(C(=O)CCCN1C(=O)/C(=C/c2ccccc2)SC1=S)[C@@H]1CCS(=O)(=O)C1 101266745 XCISGCMKYBOUCL-HZQOKBKYSA-N 534.750 4.254 10 10 KICE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(F)cc1)=C(N)O2 1864011287 FQVYGIOKUUYERV-VWLOTQADSA-N 549.002 4.497 10 10 KICE CC[C@@H](NC(=O)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866629857 YPZHBIUARKYEKJ-JOCHJYFZSA-N 580.062 4.193 10 10 KICE CC[C@](C)(NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccn1)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867477223 OPGSZDBCFWXKNV-QGRQJHSQSA-N 610.759 4.186 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)C[C@H](C)c3ccc(Cl)cc3)CC2)cc1 1868684715 XLCBJNGMEHLEQY-YADARESESA-N 504.096 4.429 10 10 KICE COc1ccc(CCNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C3CCN(C)CC3)C2=O)cc1OC 1873166090 BSFSQONCPJIHPT-UHFFFAOYSA-N 542.680 4.118 10 10 KICE CCOc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCc1cccc2ccccc12 2297344966 BHTMQODBKARZOL-UHFFFAOYSA-N 534.619 4.439 10 10 KICE COc1ccc(C=C2SC(=S)N(CCC(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)C2=O)cc1 2297554422 SNOSXGOBJICICZ-UHFFFAOYSA-N 560.704 4.183 10 10 KICE COc1ccc(C=C2SC(=S)N(CCC(=O)N(Cc3ccc(N4CCCCC4)o3)[C@H]3CCS(=O)(=O)C3)C2=O)cc1 2314828867 PMRBDXWZHXRNLV-NRFANRHFSA-N 603.788 4.086 10 10 KICE Nc1c(Oc2ccc(S(=O)(=O)Nc3ccc(O)cc3)cc2)cc(O)c2c1C(=O)c1ccccc1C2=O 33607628 XHXIXAJCGSMLIZ-UHFFFAOYSA-N 502.504 4.049 10 10 KICE CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(C(C)C)cc2)C(C(=O)OC)=C(C)N=3)cc1 33789096 HFRWSLLNRVDNLK-KDSDTBODSA-N 503.668 4.378 10 10 KICE COc1ccc(CCN2C(=O)/C(=C\c3c(N4CCCCC4)nc4ccc(C)cn4c3=O)SC2=S)cc1 33886821 LSZYNSPLRDCTNF-CJLVFECKSA-N 520.680 4.446 10 10 KICE COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)ccc1OCC(=O)N1CCCCC1 101743872 BZYAJGXIBMKOMJ-KGENOOAVSA-N 546.070 4.286 10 10 KICE C[C@@H](N1C(=O)NC(=O)/C(=C/c2cc3c(cc2Br)OCO3)C1=O)C12CC3CC(CC(C3)C1)C2 108862993 JQAVWIXITCNQEF-KLQBUBKKSA-N 501.377 4.245 10 10 KICE CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1cccs1 254846681 ZZWKLWAMYDIWQS-VWLOTQADSA-N 515.660 4.063 10 10 KICE Cc1ccc(CCNC(=O)C2=C(N)Oc3c(c(C)nn3Cc3ccccc3F)[C@H]2c2ccc(O)c(O)c2)cc1 1864010230 PVXYXYGVLCWLMS-AREMUKBSSA-N 528.584 4.152 10 10 KICE Cc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C(=O)NCCCN(C)C)[C@H]3c2ccc(O)c(O)c2)cc1 1864013953 JVWRWSOEMJWUFS-VWLOTQADSA-N 539.636 4.021 10 10 KICE COc1ccc(-c2nn(CC(C)C)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)NC2CCCC2)=C(N)O3)cc1 1864017024 CNACTAOATUFZSJ-HSZRJFAPSA-N 518.614 4.379 10 10 KICE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCC1)=C(N)O2 1864018076 BZHCBRRVETWOKI-JOCHJYFZSA-N 509.006 4.312 10 10 KICE NC1=C(C(=O)NC2CC2)[C@@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3cccc4ccccc34)c2O1 1864022570 OWQZNXHCPHUKQS-FQEVSTJZSA-N 522.483 4.429 10 10 KICE CCCN(CCC)C(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2CC)[C@H]1c1ccc(O)c(O)c1 1865034382 VOMNRMAELNKZAC-JOCHJYFZSA-N 506.603 4.333 10 10 KICE COc1ccccc1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867913948 XDESYDMYXJODIY-URLMMPGGSA-N 544.696 4.151 10 10 KICE CCCC[C@@H](NC(=O)c1nc(CC(C)C)n2ccccc12)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868779428 KFGHYSWCCSFHGZ-XMMPIXPASA-N 505.663 4.179 10 10 KICE Cc1cccc(OCCOc2ccc(C=C3C(=N)N4N=C(S(=O)(=O)CC(C)C)SC4=NC3=O)cc2)c1 2297346489 OOYNEQPBTMUTTA-UHFFFAOYSA-N 526.640 4.100 10 10 KICE Cc1noc(C=Cc2ccccc2F)c1S(=O)(=O)N1CCC(C(=O)NCc2ccc(N(C)C)cc2)CC1 2297402840 ODRCIPXTVMFDKF-UHFFFAOYSA-N 526.634 4.076 10 10 KICE Cc1c(N2C(=O)C(=Cc3c(N4CCC(C)CC4)nc4ccccn4c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C 2314400521 OLDUPYWZVFVIKR-UHFFFAOYSA-N 572.716 4.134 10 10 KICE Cc1ccc(CNC(=O)[C@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)c(O)c1Br 2327800413 KEWIGERFUFMFAI-IBGZPJMESA-N 506.441 4.105 10 10 KICE CCCNc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(c2c(C)n(C)n(-c3ccccc3)c2=O)C1=O 100885884 DMYIZCBXECOXBS-HMMYKYKNSA-N 546.678 4.028 10 10 KICE C[C@@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3\SC(=S)NC3=O)c2)C1 101066072 QPEQYPWGLISCHI-VVRYKASASA-N 524.693 4.449 10 10 KICE CCOC(=O)C1CCN(c2c(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)c(C)c(C#N)c(=O)n2CC)CC1 110522629 NFARHLQXPMBWPA-ULJHMMPZSA-N 564.733 4.272 10 10 KICE C[C@@H]1Cc2cc(-c3nn(-c4ccccc4)cc3/C=C3/SC(=S)N([C@H]4CCS(=O)(=O)C4)C3=O)ccc2O1 254349016 IKDALLQSFLPWAU-BJCHONHNSA-N 537.688 4.251 10 10 KICE COC(=O)COc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1Br 1083940057 SJWGEAZSZCHKQU-MLPAPPSSSA-N 617.044 4.192 10 10 KICE CCCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](C)C1)=C(N)O2 1865028915 AUEDAFJEOKSPNW-UUOWRZLLSA-N 502.615 4.248 10 10 KICE NC1=C(C(=O)N2CCCCC2)[C@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(Cc3ccc(F)cc3)c2O1 1865033987 MRVFVFBCEMPFGJ-LJQANCHMSA-N 532.494 4.208 10 10 KICE COC(=O)c1c(NC(=O)c2cc(=O)c3cc(N4CCN(C)CC4)ccc3[nH]2)sc(C)c1-c1ccccc1 1866525836 ZGGWJHVDLAQCKO-UHFFFAOYSA-N 516.623 4.356 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)c3snc4ccccc34)CC2)cc1 1869057304 MYTJBGSTDSZDRI-RUZDIDTESA-N 518.614 4.134 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)c4ccc(Cl)cc4[N+](=O)[O-])n(C(C)(C)C)n3)CC2)cc1 1869970756 PDCZDRZKPKNRJV-UHFFFAOYSA-N 513.986 4.182 10 10 KICE COC(=O)c1ccc(CN2C(=O)C(NCCCn3ccnc3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873167888 BXCKVYURHCQTJT-UHFFFAOYSA-N 537.620 4.037 10 10 KICE CCN(CC)CCCCN1C(=O)C(NCCN(CC)CC)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873169839 YJGKMJAZQDDUOL-UHFFFAOYSA-N 507.723 4.227 10 10 KICE COc1cc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 34798831 QQNGADNQGISPNE-ULZOKRSMSA-N 514.523 4.245 10 10 KICE CCCCn1c(N2C[C@H](C)O[C@@H](C)C2)c(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c(C)c(C#N)c1=O 39991353 RXKYAIJYNJAHDX-VXRLUZMTSA-N 526.684 4.437 10 10 KICE COc1ccc(CCN2C(=O)/C(=C/c3c(NC[C@@H]4CCCO4)nc4ccc(C)cn4c3=O)SC2=S)cc1OC 105757432 CXWHQVFSJQEULM-CSMVZQPBSA-N 566.705 4.055 10 10 KICE CCN1/C(=C\C=C\c2n(CC)c3ccc(C#N)cc3[n+]2CCOC(C)=O)N(CCOC(C)=O)c2cc(C#N)ccc21 108392385 AXEIJCHXPXIVTK-UHFFFAOYSA-N 553.643 4.019 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)[C@@H](C)Oc3ccc(C(C)C)cc3)CC2)cc1 1862216323 LVNHUAJGJIDGMJ-QFQXNSOFSA-N 513.704 4.173 10 10 KICE Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC(C)C)=C(N)O2 1864011034 DAEVIBOFYILZEJ-JOCHJYFZSA-N 547.439 4.194 10 10 KICE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C(=O)NCC(C)C)[C@@H]3c2ccc(O)c(O)c2)cc1 1864014287 RDKYHZSCHQJADM-XMMPIXPASA-N 526.593 4.426 10 10 KICE NC1=C(C(=O)NCc2ccc(F)cc2)[C@@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3ccccc3)c2O1 1864015066 IYMUBAAFAGWTHC-FQEVSTJZSA-N 540.473 4.452 10 10 KICE CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1ccc(C)cc1 1865195899 XWTMIIQCARBSNB-VWLOTQADSA-N 515.658 4.216 10 10 KICE CCCOc1ccccc1[C@H]1C(C(=O)N2CCN(c3ccc(OC)cc3)CC2)=C(N)Oc2c1c(C)nn2CC 1865447374 BKXPFWKZPXFTRF-AREMUKBSSA-N 531.657 4.052 10 10 KICE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc[nH]1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865600248 RZCMDUFTCHZVPI-AREMUKBSSA-N 538.652 4.205 10 10 KICE Cc1ccc(OCc2nc(CC(=O)N[C@H](C)C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cs2)cc1 1866583180 NHLKKAXDTOGTJJ-GOSISDBHSA-N 539.613 4.492 10 10 KICE CC(C)CCN1C(=O)c2ccc(C(=O)NC(C)(C)C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cc2C1=O 1866618735 NWUYNBHVDTZENZ-UHFFFAOYSA-N 551.599 4.251 10 10 KICE CCC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccn1)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867477064 IRFMXTVZBDLCBQ-FIRIVFDPSA-N 610.759 4.186 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)C[C@H](c3ccc(F)cc3)c3ccc(OC)c(OC)c3)CC2)cc1 1869020289 ZNULORDNQYKFHA-JIPXPUAJSA-N 549.643 4.227 10 10 KICE COc1ccc(N2CCN(C(=O)c3ccc4nc(SCC(=O)Nc5ccccc5F)[nH]c4c3)CC2)cc1 1872824899 LFAGPVFPYIDJBI-UHFFFAOYSA-N 519.602 4.404 10 10 KICE CCN(CC)CCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCCN(C)C)C1=O 1873167756 WIHDGRDVSPZDSD-UHFFFAOYSA-N 507.723 4.227 10 10 KICE CCN(CC)CCN1C(=O)C(Nc2cccc(C(=O)OC)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873426224 XJTJFPFSZIUCNU-UHFFFAOYSA-N 514.626 4.415 10 10 KICE C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)/C(=C/c2ccc(-c3ccccc3)cc2)SC1=S 101971519 VIEMXCRQIOPRFE-AABCQZNVSA-N 523.661 4.229 10 10 KICE O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1[N+](=O)[O-])[C@H](c1ccc(Br)cc1)OC21C(=O)c2ccccc2C1=O 105487196 ZDAIVGQOPILOPN-NJYVYQBISA-N 547.317 4.052 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1 1084483945 FWYYFDGWIWVCJV-MUUNZHRXSA-N 587.698 4.232 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)c3ccc(Cl)s3)CC2)cc1 1862248896 RKWYVZUUGFFAEL-OAQYLSRUSA-N 502.011 4.239 10 10 KICE Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOc1ccccc1)=C(N)O2 1864008277 HJKCECVMSBNYTG-XMMPIXPASA-N 532.984 4.135 10 10 KICE Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCC1)=C(N)O2 1864009393 GNFHNPXAZGEKIG-QFIPXVFZSA-N 512.969 4.197 10 10 KICE CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(C)cc1)=C(N)O2 1864017755 UNSSDIJOIKUSAC-VWLOTQADSA-N 510.594 4.208 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCCC[C@@H]4CCO)nc(-c4cccc(OC)c4)n3)CC2)cc1 1867992821 JUDCSESGMMVKPG-XMMPIXPASA-N 503.647 4.229 10 10 KICE COc1ccc(N2CCN(c3cc(N4CC(=O)N5CCc6ccccc6[C@H]5C4)nc(C(C)(C)C)n3)CC2)cc1 1869189236 JILGCIKOJNLSPV-AREMUKBSSA-N 526.685 4.055 10 10 KICE COc1ccc(OCCN2C(=O)C(NC[C@H]3CCCO3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873166691 WVHNDWCAVXETMR-AREMUKBSSA-N 515.610 4.030 10 10 KICE CCCCN1C(=O)C(=CC=CC=C2Oc3ccccc3N2CCCS(=O)(=O)O)C(=O)N(CCCC)C1=S 2294965063 SKDUSRXOWAXOCO-UHFFFAOYSA-N 547.699 4.043 10 10 KICE COc1ccc(CN2C(=O)C(=Cc3c(NC[C@@H]4CCCO4)nc4ccc(C)cn4c3=O)SC2=S)cc1 2296542800 SYVKXEWJRLUBFL-IBGZPJMESA-N 522.652 4.004 10 10 KICE O=C1C(=Cc2c(N3CCN(Cc4ccccc4)CC3)nc3ccccn3c2=O)SC(=S)N1CCc1ccccc1 2296698756 NGVUCESTWAJUNX-UHFFFAOYSA-N 567.740 4.461 10 10 KICE COc1cc(C=C2C(=O)NC(=O)N(c3ccccc3)C2=O)cc(I)c1OS(=O)(=O)c1ccc(C)cc1 2313541016 KIBXRUPUZVRDPS-UHFFFAOYSA-N 618.405 4.042 10 10 KICE O=C(CN1C(=O)SC(=Cc2cc(Br)cc(Br)c2O)C1=O)NCc1ccccc1 2314834174 ZXQJTJJJWRKQNC-UHFFFAOYSA-N 526.206 4.270 10 10 KICE C[C@@H](NC(=O)CCCCCN1C(=O)C(=Cc2cc(Br)cc(Br)c2O)SC1=S)C(=O)O 2314836641 HVLFHSJTGAZTIF-SNVBAGLBSA-N 580.320 4.268 10 10 KICE Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cc(Br)cc(I)c3O)C2=O)c1 100110834 FJSGHXLQXVFQAQ-VGOFMYFVSA-N 541.139 4.043 10 10 KICE CC[C@H](C)N1C(=O)/C(=C\c2c(N3CCN(c4ccc(OC)cc4)CC3)nc3ccccn3c2=O)SC1=S 102824213 IBODOQVJHLXDFF-VJWQYWRGSA-N 535.695 4.029 10 10 KICE N=C1/C(=C\c2ccc(OC(=O)c3ccco3)c(Br)c2)C(=O)N=C2SC(c3cccnc3)=NN12 103605069 TVLRBUGBPCNPAX-JVWYAVPJSA-N 522.340 4.324 10 10 KICE Cc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(F)cc1)=C(N)O2 1864010723 BCPXBPZEZCAALE-XMMPIXPASA-N 534.975 4.455 10 10 KICE Cc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)c1ccccc1)=C(N)O2 1864011741 KTJGRUYHWBLHKM-PUAOIOHZSA-N 514.557 4.362 10 10 KICE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCc1ccc(C)cc1)[C@H]2c1ccc(O)c(O)c1 1864021654 DZJPWJRQMMVHSF-IBGZPJMESA-N 516.520 4.085 10 10 KICE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N2CCC(N4CCCCC4)CC2)[C@@H]3c2ccc(O)c(O)c2)cc1 1865028464 VPZSZBOHQSFNFH-HHHXNRCGSA-N 543.668 4.072 10 10 KICE CCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)Cc1ccccc1)=C(N)O2 1865035195 NWYRVXROVUSYPX-VWLOTQADSA-N 528.584 4.397 10 10 KICE CCCc1nn(CC)c2c1[C@H](c1ccc(OCC)cc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865279509 NHKJDIMJKXQFQM-SANMLTNESA-N 545.684 4.306 10 10 KICE CC(C)N1C(=O)c2ccc(C(=O)N[C@H](Cc3ccccc3)C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O 1867436467 ZXINDWNFSZRSNZ-ROJLCIKYSA-N 609.771 4.442 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCC[C@H]4C(=O)NCc4ccccc4)nc(C(C)(C)C)n3)CC2)cc1 1869179167 SKOQWJQIEHKGGL-SANMLTNESA-N 528.701 4.395 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3nc4ccccc4[nH]3)C(=O)N(CCCn3ccnc3)C2=O)cc1 1873169271 HXIGJYGJWYZFJM-UHFFFAOYSA-N 533.636 4.169 10 10 KICE Cc1ccc(NC(=O)CN2C(=O)C(=C3SC(=S)N(C[C@H]4CCCO4)C3=O)c3ccccc32)cc1C 2296712195 JFINEXHVERCSDU-GOSISDBHSA-N 507.637 4.039 10 10 KICE O=C(O)CCN1C(=O)/C(=C\c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)SC1=S 33766681 FBGWFENTOJKARQ-LICLKQGHSA-N 510.515 4.399 10 10 KICE Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C\C(=O)OCC(=O)c1cc(C)n(-c2ccccc2)c1C 34846214 HPHHZBZRTUAJNJ-GDCKJWNLSA-N 516.019 4.051 10 10 KICE CCOc1cc(/C=C2\C(=N)N3N=C(S(=O)(=O)CC)SC3=NC2=O)ccc1OCc1ccccc1Cl 101398546 NGWSOAPCILLLFV-SVBOREBNSA-N 533.031 4.329 10 10 KICE CCOc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(CC(=O)N5CCCC5)SC4=NC3=O)c2C)cc1 102463837 LPDHBGMRNSZOIR-RWYGKYMDSA-N 504.616 4.125 10 10 KICE CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(O)c(Br)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 105670867 BAXKGEATTZQRSU-SRKIZSPNSA-N 621.351 4.095 10 10 KICE CCOc1cc(/C=C2\SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)ccc1OCC(=O)O 210458511 IUGDCLKAHIXZBA-BKUYFWCQSA-N 503.598 4.010 10 10 KICE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCc1cccs1)[C@@H]2c1ccc(O)c(O)c1 1864021671 FGIBQBVGULCSIT-QGZVFWFLSA-N 522.549 4.084 10 10 KICE CCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1cccc2ccccc12 1865133356 XXBLWKOYIDLZHD-HHHXNRCGSA-N 523.637 4.417 10 10 KICE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4-c4ccccc4)[C@H]3c3ccc(F)cc3)CC2)cc1 1865513662 NRMBWAIXOAVOCJ-HHHXNRCGSA-N 539.611 4.372 10 10 KICE CN(C)c1ccc([C@@H](CNC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)N2CCCCC2)cc1 1867698520 ZJXCPASDDJNAEN-CZNDPXEESA-N 682.287 4.111 10 10 KICE COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCO[C@@H](c3cccc(Cl)c3)C2)n1 1869114343 BWSACEXGLALGSD-RUZDIDTESA-N 524.065 4.232 10 10 KICE CCOC(=O)c1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCCN(C)C)C2=O)cc1 1873165571 PVTWTKXGYQONLO-UHFFFAOYSA-N 542.680 4.482 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)Cc3ccc(Cl)cc3)CC2)cc1 1861958290 DTMCBHTZVMNIFG-AREMUKBSSA-N 510.009 4.107 10 10 KICE COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCc2cc(C)ccc2C)[C@H]3c2ccc(O)c(O)c2)cc1 1864007307 KGKYRDQOUPGECT-SANMLTNESA-N 526.593 4.228 10 10 KICE CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOc1cc(C)cc(C)c1)=C(N)O2 1864017893 XUJQQEZFAWICEJ-SANMLTNESA-N 540.620 4.353 10 10 KICE CCCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2Cc2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1864021296 AANJGJMBIIEHMG-DEOSSOPVSA-N 526.593 4.239 10 10 KICE CN(C)c1ccc([C@H](CNC(=O)COc2ccc3c4c(c(=O)oc3c2)CCCC4)N2CCCCC2)cc1 1865919705 CHQXTJKFPJTTIO-MHZLTWQESA-N 503.643 4.460 10 10 KICE CC(=O)Oc1cccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867301575 DQHBJFWFZCCNSI-CONSDPRKSA-N 556.707 4.362 10 10 KICE CCOC(=O)N1CCN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(-c3ccc(C)cc3)n2)CC1 1867965356 ZUCOYTNWDIXISW-UHFFFAOYSA-N 516.646 4.066 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)c3cc(-c4ccc(C)c(C)c4)n(C)n3)CC2)cc1 1868754206 QMSNRKNSHBOKBB-PMERELPUSA-N 551.691 4.402 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(Cl)cc3[N+](=O)[O-])C(=O)N(CCN(C)C)C2=O)cc1 1873421372 UNOXBIJTJNPGKX-UHFFFAOYSA-N 507.978 4.409 10 10 KICE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCCSc4ccc(C)cc4)c(OC)c3)C(=N)N21 101395113 BKIYZQXDUAKZOY-LCQIMXFNSA-N 544.680 4.186 10 10 KICE Cc1ccc(NC(=O)Cn2cc(/C=C3/C(=O)NC(=S)N(c4ccc(C(=O)O)cc4)C3=O)c3ccccc32)cc1 105029879 UZDKFNNPCSOXFN-UCQKPKSFSA-N 538.585 4.118 10 10 KICE CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OCC(=O)N1CCCCC1 206886756 CUVQHFQWFKCFOP-JWGURIENSA-N 525.652 4.023 10 10 KICE O=C1/C(=C\c2ccccc2)SC(=S)N1CCC(=O)N(Cc1ccc(N2CCCCC2)o1)[C@@H]1CCS(=O)(=O)C1 207307952 LDEUYAKKLYJLMF-RZMOPNSYSA-N 573.762 4.077 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](CSCc3ccccc3)NC(=O)Cc3ccc(F)cc3)CC2)cc1 1862123179 MFFOXMVNUPFMHL-HHHXNRCGSA-N 521.658 4.144 10 10 KICE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccco1)=C(N)O2 1864018354 JBZFFLKAHLQISY-JOCHJYFZSA-N 520.973 4.162 10 10 KICE CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1ccccc1Cl 1865162745 BUPIJQZXYWOYHE-XMMPIXPASA-N 522.049 4.307 10 10 KICE O=C(COc1cccc2c1C(=O)N(c1ccccc1)C2=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1865837914 JNNNQHBJEFUGFI-UHFFFAOYSA-N 502.482 4.280 10 10 KICE CCOC(=O)[C@@H]1CCCN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(Cc3ccccc3)n2)C1 1867948345 NAMCVXQXXBDOMN-XMMPIXPASA-N 515.658 4.182 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)Cc3csc(COc4ccccc4)n3)CC2)cc1 1868593798 DQDRAZGQOFFFPP-GDLZYMKVSA-N 570.715 4.350 10 10 KICE CC[C@@](C)(NC(=O)[C@@H](Cc1ccncc1)c1ccccc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868670538 OEITXYBKOKRNNW-BHBYDHKZSA-N 500.643 4.050 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)c4cncc(C)c4)n(-c4cccc(Cl)c4)n3)CC2)cc1 1869970981 WEMNQIFGTFFUKD-UHFFFAOYSA-N 503.994 4.212 10 10 KICE CCOCCOC(=O)COc1cn(CCCOC)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871119301 PIVGJOBYIMKWRB-UHFFFAOYSA-N 509.603 4.199 10 10 KICE COc1ccc(N2CCN(c3nc(=NCCCOC(C)C)[nH]c(=Nc4ccccc4C(C)C)[nH]3)CC2)cc1 1871496820 ZNSMLHQZPOHLSC-UHFFFAOYSA-N 519.694 4.145 10 10 KICE Cc1ccc(C=C2SC(=S)N(CCCC(=O)N(Cc3ccc(C)o3)[C@H]3CCS(=O)(=O)C3)C2=O)cc1 2314600064 AQBDBGYWGUMEFX-FQEVSTJZSA-N 532.709 4.094 10 10 KICE CCOC(=O)[C@@H](c1ccccc1)N1C(=O)C(=Cc2cc(Br)c(OCC(=O)N3CCOCC3)c(OC)c2)SC1=S 2314770054 YOTHGQUNOWKUBX-HSZRJFAPSA-N 635.558 4.201 10 10 KICE CS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C(=N)N21 96459651 XYCKNAOAAZYZMR-LQKPDRLUSA-N 509.396 4.194 10 10 KICE COc1ccc(N2CCN(C(=O)c3sc4ncnc(N5CCN(c6ccccc6F)CC5)c4c3C)CC2)cc1 102784928 BNZIHDJTPNBBPH-UHFFFAOYSA-N 546.672 4.436 10 10 KICE Cc1c(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c(N2CCN(c3ccc(F)cc3)CC2)n(C)c(=O)c1C#N 110520380 DXEPXVIIGOYYRX-UCQKPKSFSA-N 549.653 4.026 10 10 KICE Cc1ccc(/C=C2/SC(=S)N(CCC(=O)N(Cc3sccc3C)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 207325160 QLMKHXXSUHPECQ-CVNFFVDQSA-N 534.750 4.172 10 10 KICE CCN(CC)c1ccc(C=c2sc3n(c2=O)[C@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OCC(C)C)=C(C)N=3)cc1 254762954 UBQLZSZQWMMZDX-GDLZYMKVSA-N 591.730 4.215 10 10 KICE Cc1ccc(-n2nc(C)c(N/C=C3\C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)c2C)cc1C 1084452926 JDYMYIGLOPYKGP-UDWIEESQSA-N 508.376 4.447 10 10 KICE Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(CNC(=O)CCCc3ccc(Cl)cc3)cc2)cc1 1858959237 JNUJQANIXYNARN-UHFFFAOYSA-N 501.992 4.039 10 10 KICE Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccnc1)=C(N)O2 1864007962 YDKMGOZDPDGBIK-JOCHJYFZSA-N 538.391 4.305 10 10 KICE Cc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCC1=CCCCC1)=C(N)O2 1864010929 BZIBKWCEPUCASB-RUZDIDTESA-N 518.589 4.491 10 10 KICE CC(C)NC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(F)cc2)[C@@H]1c1ccc(O)c(O)c1 1864016211 JONPVELKISLTMD-QHCPKHFHSA-N 514.557 4.368 10 10 KICE C[C@@H](NC(=O)[C@@H](Cc1ccncc1)c1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866688323 IOURBFWVQBZPKG-CLOONOSVSA-N 503.558 4.327 10 10 KICE C[C@@H](NC(=O)C[C@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866719172 ARBNCWPSNRDJLH-HXOBKFHXSA-N 524.573 4.260 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](CSCc3ccccc3)NC(=O)CCc3ncc4ccccn34)CC2)cc1 1868802631 VJTXREQCXDFDGX-MUUNZHRXSA-N 557.720 4.043 10 10 KICE CCOC(=O)COc1cn(CCC2=CCCCC2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870695617 PWTFTWWQBBIGTI-UHFFFAOYSA-N 509.647 4.012 10 10 KICE COCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NC[C@@H](c3ccccc3)N3CCCC3)ncnc21 1875226722 CTBOEIDGZPVJEI-PMERELPUSA-N 583.737 4.298 10 10 KICE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1cc(Br)cc(I)c1O 2294005022 OBMKPSDWCUPIEN-UHFFFAOYSA-N 591.981 4.188 10 10 KICE COc1cc(C=C2SC(=S)N(CC(=O)Nc3nc4ccccc4s3)C2=O)cc(OC)c1OC 2297331860 XRXJJQVVKJZHGL-UHFFFAOYSA-N 501.611 4.162 10 10 KICE COc1ccccc1OCCOc1c(OC)cc(C=C2C(=N)N3C(SC)=NSC3=NC2=O)cc1OC 2297341023 GUWCKZRUMXRJAX-UHFFFAOYSA-N 528.612 4.110 10 10 KICE Cc1cc(Oc2nc3c(C)cccn3c(=O)c2C=C2SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)ccc1Cl 2314506994 HVMCDRDDOXDTHT-OAHLLOKOSA-N 562.094 4.145 10 10 KICE O=C1/C(=C\c2c(N3CCN(Cc4ccccc4)CC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccco1 100884346 GZXWXWWGMQJOSN-HAVVHWLPSA-N 543.674 4.011 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)[C@H](C)Oc3ccc(C(C)C)cc3)CC2)cc1 1862216322 LVNHUAJGJIDGMJ-LVXARBLLSA-N 513.704 4.173 10 10 KICE COc1ccc(-c2nn(CC(C)C)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)NCc2cccnc2)=C(N)O3)cc1 1864016951 ATGQUIGMZWZEDA-XMMPIXPASA-N 541.608 4.032 10 10 KICE CCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCCC1)=C(N)O2 1864017146 GXYSKSKYMANYMN-DEOSSOPVSA-N 518.614 4.388 10 10 KICE COc1cccc(OC)c1C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867361632 JDAKSBRJQBPCCF-IZLXSDGUSA-N 574.722 4.160 10 10 KICE COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCN3CCc4c(Cl)cccc4[C@@H]3C2)n1 1869121948 AWSULRSZKCQPKA-MHZLTWQESA-N 549.119 4.074 10 10 KICE COc1ccc(N2CCN(Cc3cc(=O)c(OCCOC(C)C)cn3CCc3ccc(F)cc3)CC2)cc1 1870540680 JDIYCOCIWGNJEN-UHFFFAOYSA-N 523.649 4.365 10 10 KICE CCN(CC)CCN1C(=O)C(NCCc2ccc(OC)c(OC)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873166100 BZEUGEZFJLSRQD-UHFFFAOYSA-N 544.696 4.365 10 10 KICE CCOc1ccc(N2C(=O)C(=Cc3ccc(OCc4ccc(C(=O)O)cc4)c(OC)c3)C(=O)NC2=S)cc1 2294228994 AYWSOTDHBNFIEV-UHFFFAOYSA-N 532.574 4.202 10 10 KICE COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)ccc3OCc3ccccc3)C2=O)cc1 2297624652 XGBBBFMBNYGWAW-UHFFFAOYSA-N 535.350 4.481 10 10 KICE CCn1c(NCCc2ccc(OC)c(OC)c2)c(/C=C2\SC(=S)N(C(C)C)C2=O)c(C)c(C#N)c1=O 40066418 VIVPPWPRQOYUTJ-XKZIYDEJSA-N 526.684 4.330 10 10 KICE CC(C)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)c(OCC(=O)O)c(I)c3)C2=O)cc1 150380366 HLBRPXDMNPCAOJ-VIZOYTHASA-N 660.202 4.149 10 10 KICE CCOc1cccc(C2=C(O)C(=O)N(c3ccc(S(=O)(=O)NC(C)=O)cc3)[C@@H]2c2ccc(N(C)C)cc2)c1 526140100 YKJCQXNFIXPMAW-AREMUKBSSA-N 535.622 4.033 10 10 KICE COc1ccc(-c2nn(C)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)NC2CCCCCC2)=C(N)O3)cc1 1864023234 WGGUNRQSWKFUKY-JOCHJYFZSA-N 504.587 4.041 10 10 KICE CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@@H](C)C1)=C(N)O2 1865032455 CPGQKEGLQMFKIR-NXMSCROESA-N 502.615 4.353 10 10 KICE O=C(N[C@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1)c1ccc2oc(O)nc2c1 1867128344 GKRVSLDMHMZZLM-VWLOTQADSA-N 517.497 4.419 10 10 KICE CC[C@@H](NC(=O)c1ccccc1Br)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867381015 SDIOEZLBVKJYEF-DNQXCXABSA-N 515.496 4.367 10 10 KICE COc1ccc(-c2csc(CCC(=O)N[C@@H](C(=O)N3CCN(c4ccc(OC)cc4)CC3)C(C)C)n2)cc1 1868913673 OFQFPRJUWWXZDT-MUUNZHRXSA-N 536.698 4.250 10 10 KICE COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2C[C@@H](C)Cc3cc(OC)ccc32)n1 1869114845 OLZQATODDPPRDZ-NRFANRHFSA-N 503.647 4.340 10 10 KICE CCOc1ccc(-c2nc(N3CCN(c4ccc(OC)cc4)CC3)cc(N3[C@@H](C)COC[C@@H]3C)n2)cc1 1869335859 XQDXFBZMMFOFJC-VXKWHMMOSA-N 503.647 4.491 10 10 KICE N=C1C(=Cc2cn(CCOc3ccccc3)c3ccccc23)C(=O)N=C2SC(CC(=O)N3CCCC3)=NN12 2296056447 KRLBVSXFIDGMHH-UHFFFAOYSA-N 526.622 4.352 10 10 KICE CC[C@H](C)N1C(=O)C(=Cc2c(N3CCN(c4ccccc4OC)CC3)nc3ccc(C)cn3c2=O)SC1=S 2297460328 JGPXLHXYGTUGOU-IBGZPJMESA-N 549.722 4.338 10 10 KICE O=C1/C(=C\c2c(N3CCCCCC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccc2c(c1)OCO2 33467580 IAVIBUSJOMQZJE-KGENOOAVSA-N 520.636 4.205 10 10 KICE CS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCc4ccc(Cl)c(Cl)c4)cc3)C(=N)N21 96459792 FJJAXHYZKNRZOE-FCASDSMHSA-N 509.396 4.194 10 10 KICE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(Cc4ccc(F)cc4)C3=O)c(NCCCn3ccnc3)nc12 102430981 KCZKZEGGVLEFEU-KGENOOAVSA-N 534.642 4.242 10 10 KICE CCCn1c(N2CCC(Cc3ccccc3)CC2)c(/C=C2\SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c(C)c(C#N)c1=O 110525053 KPMFHAAJHGMYJH-WBXJAQJHSA-N 610.827 4.286 10 10 KICE CCCCn1c(N2CCOCC2)c(/C=C2\SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)c(C)c(C#N)c1=O 110527999 CZMQIRPXBNMBKZ-UQQQWYQISA-N 582.748 4.126 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)COc3c(C)ccc(C)c3C)CC2)cc1 1862198934 CWBZKMFAAQBTCS-NDEPHWFRSA-N 515.654 4.076 10 10 KICE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccccc1)=C(N)O2 1864010962 QQUGCUQEAJEHEJ-SANMLTNESA-N 540.620 4.298 10 10 KICE NC1=C(C(=O)NCc2ccccc2)[C@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3ccccn3)c2O1 1864015484 AIQAIIRYGVEWGF-RUZDIDTESA-N 531.572 4.357 10 10 KICE Cc1cccc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867819700 CYFZSRKVYLWBJA-XZWHSSHBSA-N 528.697 4.451 10 10 KICE CCOC(=O)N1CCN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(-c3ccc(Cl)cc3)n2)CC1 1867981528 OJHUHKMKGYONGF-UHFFFAOYSA-N 537.064 4.411 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)Cc3csc(COc4ccc(C)cc4)n3)C(C)C)CC2)cc1 1868591794 QBEBIGAYUJBAED-NDEPHWFRSA-N 536.698 4.071 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCO[C@H](c5cccnc5)C4)nc(Cc4ccccc4)n3)CC2)cc1 1869077138 BERCIRZNDCBHTI-NDEPHWFRSA-N 522.653 4.376 10 10 KICE CCN(CC)CCn1cc(OCC(=O)NC(C)C)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870945322 LJYTXVVQQXEYNK-UHFFFAOYSA-N 505.663 4.449 10 10 KICE COc1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C[C@H]3CCCO3)C2=O)cc1OC 1873169104 ZEXHCXKUPFYOHG-XMMPIXPASA-N 515.610 4.160 10 10 KICE CCn1c(C=C2C(=O)N(C)c3ccc(Br)cc32)nc2ccc(I)cc2c1=O 2295914238 ZKTHJVTUQATKCS-UHFFFAOYSA-N 536.167 4.301 10 10 KICE COc1ccc(CCN2C(=O)/C(=C\c3c(N4CCCC4)nc4c(C)cccn4c3=O)SC2=S)cc1OC 100850374 IQRKAWVBYHZZOG-CJLVFECKSA-N 536.679 4.064 10 10 KICE O=C1/C(=C/c2c(N3CCN(c4ccc(F)cc4)CC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccc2c(c1)OCO2 109951300 PKJLJQPOCDTWDI-XYGWBWBKSA-N 601.685 4.290 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)c(N(CC)CC)cc3OC)c(=O)n2[C@@H]1c1ccc(OC)cc1OC 252670417 KNKIBWMKGWSLMT-HHHXNRCGSA-N 644.588 4.433 10 10 KICE CCOC(=O)C1=C(C)C(C(=O)Nc2ccccc2)=S=C1NC(=O)c1ccc(N(Cc2ccccc2C)S(C)(=O)=O)cc1 1860768331 HPGITIJMIKTBMJ-UHFFFAOYSA-N 605.738 4.258 10 10 KICE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCCc2ccc(F)cc2)[C@@H]3c2ccc(O)c(O)c2)cc1 1864008668 PIIMPYOUSPUFTE-RUZDIDTESA-N 514.557 4.093 10 10 KICE CCCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H]1CCCO1)=C(N)O2 1864013828 HAWAIHSDHZPZOB-IBVKSMDESA-N 540.620 4.379 10 10 KICE CCc1nn(C)c2c1[C@H](c1ccc(C(C)C)cc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865159873 TYDXABPCCWSNSU-VWLOTQADSA-N 515.658 4.158 10 10 KICE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4CC(C)C)[C@@H]3c3ccc(F)cc3)CC2)cc1 1865513835 HOYYZUQIGDXORR-VWLOTQADSA-N 519.621 4.039 10 10 KICE CC(=O)Oc1ccc(C[C@@H](NC(=O)Cc2ccc(C)o2)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 1867260236 VKNSPNHDFWZWCY-HHHXNRCGSA-N 550.567 4.197 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)c3cc(-c4cc(F)ccc4F)n(C)n3)CC2)cc1 1868940287 GFKPSCAVTQAQRQ-MUUNZHRXSA-N 577.607 4.203 10 10 KICE COc1ccc(N2CCN(c3nc(=NCCc4ccccc4)[nH]c(=Nc4cc(C)cc(C)c4)[nH]3)CC2)cc1 1871548016 MOMGZMSQZRMOFA-UHFFFAOYSA-N 509.658 4.066 10 10 KICE COCCOC(=O)c1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C[C@H]3CCCO3)C2=O)cc1 1873420261 WUFQFXWHTSDUGE-AREMUKBSSA-N 543.620 4.268 10 10 KICE CCCOC(=O)c1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCN3CCOCC3)C2=O)cc1 1873425702 KZWXEMAJZCDGEQ-UHFFFAOYSA-N 556.663 4.185 10 10 KICE C[C@@H]1CCCN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)C1 2296703963 BHUFZMNJPDMBMP-MRXNPFEDSA-N 520.636 4.061 10 10 KICE COc1cccc(C=CC(=O)Nc2ccc3nc(N4CCN(c5ncccn5)CC4)cc(C)c3c2)c1OC 2297332735 YVUCIOUBAJZJAO-UHFFFAOYSA-N 510.598 4.329 10 10 KICE COc1ccc(CCN2C(=O)C(=Cc3c(N4C[C@H](C)O[C@H](C)C4)nc4ccc(C)cn4c3=O)SC2=S)cc1OC 2314399675 BIVVFMPTSUFJKM-KDURUIRLSA-N 580.732 4.078 10 10 KICE CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccccc3C)C2=O)ccc1O[C@@H](CC)C(=O)O 2314934189 GFHJNAIUVMMXIS-KRWDZBQOSA-N 500.598 4.182 10 10 KICE CCCn1c(N2C[C@H](C)O[C@H](C)C2)c(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c(C)c(C#N)c1=O 39990255 BYQZFZKSKKHRSF-AKJJSLRDSA-N 522.696 4.453 10 10 KICE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCCCOc4ccc(Cl)cc4)cc3)C(=N)N21 101395400 HGMIDBJQEJLNJZ-DULIVUPNSA-N 533.031 4.199 10 10 KICE O=C(CN1C(=O)/C(=C/c2cc(Br)cc(Br)c2O)SC1=S)Nc1ccc(O)cc1 101965692 FPBDTDWUMVPSAI-NSIKDUERSA-N 544.246 4.463 10 10 KICE O=C1/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCCCC3)c2)SC(=S)N1CCS(=O)(=O)O 150658227 NRDACBQJCJAPLR-HKOYGPOVSA-N 632.811 4.193 10 10 KICE CC(C)(C)C(=O)OC[C@H](N=[N+]=[N-])[C@@H]1O[C@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C 503922969 JLKYKJIAGQRDOG-NNPSNHGLSA-N 541.642 4.485 10 10 KICE in-vitro CCN1C(=O)/C(=C\c2cn(CCOc3ccc(C)cc3)c3ccc(Br)cc23)C(=O)NC1=S 1084129882 RZVPWJWBIXLNHI-NDENLUEZSA-N 512.429 4.438 10 10 KICE CC(=O)Oc1ccc(C[C@@H](NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867696908 LYEJZLZZUAKBKH-GPOMZPHUSA-N 740.323 4.037 10 10 KICE COc1ccc(OC)c(C=CC(=O)N2CCC(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)CC2)c1 2322070925 VLOOIAVKAVHBDS-UHFFFAOYSA-N 524.573 4.370 10 10 KICE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C[C@H]4CCCO4)C3=O)c(N(C)Cc3ccccc3)nc12 34721810 JNXQOWZUTKVTMJ-KNGGAZFVSA-N 506.653 4.020 10 10 KICE Cc1cc(Oc2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(CCC(=O)O)C2=O)ccc1Cl 39835723 QTCIKYDZGPLIGL-LFIBNONCSA-N 501.973 4.125 10 10 KICE COc1ccc(CCN2C(=O)/C(=C\c3c(NCCCOC(C)C)nc4ccccn4c3=O)SC2=S)cc1OC 102863387 NXWMFNLSDFOULU-HAVVHWLPSA-N 568.721 4.383 10 10 KICE COCCN(CC(=O)N1N=C(c2cccn2C)C[C@H]1c1cc(OC)ccc1OC)C(=O)c1ccccc1Cl 103125568 PPTRALMLVHUEKB-VWLOTQADSA-N 539.032 4.162 10 10 KICE Cc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)c1ccccc1)=C(N)O2 1864011666 JUQUIQQDPFNVFU-CPJLOUKISA-N 514.557 4.362 10 10 KICE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1cc(C)ccc1C)[C@H]2c1ccc(O)c(O)c1 1864023170 UYWUHYNCZYUEEY-IBGZPJMESA-N 516.520 4.351 10 10 KICE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(c3ccc(F)cc3)CC1)=C(N)O2 1865031047 XVPZGMJMYQYXEZ-VWLOTQADSA-N 549.647 4.085 10 10 KICE O=C(N[C@H](Cc1ccc(F)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(-c2ccncc2)[nH]n1 1867157963 GZYUKISGPIBCDB-AREMUKBSSA-N 559.557 4.366 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)CCc3csc(-c4ccncc4)n3)CC2)cc1 1868906425 PDAHMECSPRWZRF-MUUNZHRXSA-N 573.694 4.362 10 10 KICE COc1ccc(N2CCN(C(=O)c3ccc4nc(CNC(=O)c5ccc(Cl)cc5)[nH]c4c3)CC2)cc1 1872797953 AUSVZQNQWKQDKJ-UHFFFAOYSA-N 503.990 4.117 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc4c(c3)OCCO4)C(=O)N(CCc3cnc[nH]3)C2=O)cc1 1873426397 WDHHCAFREWUFTQ-UHFFFAOYSA-N 509.566 4.023 10 10 KICE Cc1cccn2c(=O)c(C=C3SC(=S)N(C[C@H]4CCCO4)C3=O)c(N(C)Cc3ccccc3)nc12 2296698729 JNXQOWZUTKVTMJ-LJQANCHMSA-N 506.653 4.020 10 10 KICE O=C(CCCN1C(=O)C(=C2SC(=S)N(CCCC(=O)Nc3cccc(O)c3)C2=O)SC1=S)Nc1cccc(O)c1 2297312584 YMDBRIQTSYHVMD-UHFFFAOYSA-N 616.768 4.168 10 10 KICE Cc1ccsc1CN(C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S)[C@H]1CCS(=O)(=O)C1 101266740 SZOLFGXGTPAOKL-JIHKLPAASA-N 540.779 4.315 10 10 KICE CCOc1cc(/C=C2\C(=N)N3N=C(S(=O)(=O)CC)SC3=NC2=O)cc(Cl)c1OCc1ccccc1 101398584 AYHLLUSKOLBVKA-SSOZYACPSA-N 533.031 4.329 10 10 KICE CCOc1ccc(N2C(=O)[C@H]3[C@H](c4ccccc4Cl)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 101993355 WGAISVGMHAGGNC-VJBWXMMDSA-N 501.922 4.434 10 10 KICE COc1ccc(N2CCN(c3nc4ccccn4c(=O)c3/C=C3/SC(=S)N(Cc4ccco4)C3=O)CC2)cc1 102835821 ZHOZPBWGQBLACM-HAVVHWLPSA-N 559.673 4.024 10 10 KICE Cc1ccc(OCCOc2ccc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2Cl)cc1C 104559854 VTGBNJMTMZXQRF-BVDVPRQSSA-N 533.031 4.036 10 10 KICE CC1=NN(c2ccc(I)cc2)C(=O)/C1=C\c1c(C)[nH]n(-c2ccc(I)cc2)c1=O 105048876 LYKNCHQAYGBSFG-ODLFYWEKSA-N 610.193 4.489 10 10 KICE CCn1c(N2C[C@H](C)O[C@H](C)C2)c(/C=C2/SC(=S)N(CCc3ccc(OC)cc3)C2=O)c(C)c(C#N)c1=O 105675712 ZHPLJTZOIQTPCL-IKJQNQTJSA-N 552.722 4.114 10 10 KICE COc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3nonc3-c3ccc4c(c3)CCCC4)C2=O)cc1 207318042 ZLWPBFPSCMDOGQ-UDWIEESQSA-N 506.609 4.464 10 10 KICE COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(I)c1OC 1084005633 KPHRQNQANBPGBG-QPEQYQDCSA-N 571.165 4.046 10 10 KICE COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCc1ccc(C(=O)O)cc1 1084448544 NURVXQQDPWTJPS-GRSHGNNSSA-N 524.888 4.431 10 10 KICE COc1ccc(O)c(CN[C@@H]2C[C@@H](C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)N(C3Cc4ccccc4C3)C2)c1 1616105575 LCRFDBIJLTVFHV-VIZCGCQYSA-N 594.678 4.468 10 10 KICE CCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(C)cc1)=C(N)O2 1864018650 PUAVLEPJHFADMU-RUZDIDTESA-N 528.584 4.364 10 10 KICE CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cccs1)=C(N)O2 1864020285 XVUCPDUTTAHJAI-QHCPKHFHSA-N 516.623 4.269 10 10 KICE Cc1ccc(S(=O)(=O)Oc2ccc(C=C3C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2Cl)cc1 2296640548 CRQMIWKQKKZYCL-UHFFFAOYSA-N 538.010 4.479 10 10 KICE O=C(CCCN1C(=O)/C(=C/c2ccccc2OC(F)F)SC1=S)Nc1cc(C(=O)O)ccc1C(=O)O 59816324 SRBJQABTBWBFAH-BOPFTXTBSA-N 536.534 4.305 10 10 KICE CN(C)c1ccc([C@@H]2CC(c3ccc([N+](=O)[O-])cc3)=NN2C(=O)CN2C(=O)C(=O)c3cc(Cl)ccc32)cc1 100901652 PSNYTYQWKRFRNM-DEOSSOPVSA-N 531.956 4.221 10 10 KICE COc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC(C)C)ccc1OCc1ccc(C)cc1 104562293 SHWUMIJAHRRCJQ-ULZOKRSMSA-N 526.640 4.230 10 10 KICE O=C1/C(=C\c2cn(-c3ccccc3)nc2C23CC4CC(CC(C4)C2)C3)SC(=S)N1CCS(=O)(=O)O 110555632 GCYFREADZZBJHB-SRZZPIQSSA-N 529.709 4.429 10 10 KICE Cc1c(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)c(NCc2ccc(F)cc2)n(C)c(=O)c1C#N 143287637 CVQDZBITZSWNJQ-RMORIDSASA-N 548.621 4.447 10 10 KICE CCC(=O)O[C@H]1[C@@H](OC(=O)CC)[C@H](n2ccc(O)nc2=O)O[C@@]1(CO[P@]1(=O)OCC[C@H](c2cccc(Cl)c2)O1)N=[N+]=[N-] 602987251 DOIJDQFWSCXUHP-DDMIJDHCSA-N 627.931 4.084 10 10 KICE COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCc2ccc(Cl)cc2)[C@H]3c2ccc(O)c(O)c2)cc1 1864007584 PXPYRCOMLKXYDC-DEOSSOPVSA-N 532.984 4.265 10 10 KICE COCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1864016483 QADICIKHCRUUAX-QHCPKHFHSA-N 547.011 4.120 10 10 KICE COc1ccc(C=C2SC(N3CCN(C(=O)CCN4C(=O)C(=Cc5ccc(OC)cc5)SC4=S)CC3)=NC2=O)cc1 2053508994 KNIYVDDGACPPON-UHFFFAOYSA-N 608.767 4.110 10 10 KICE CC(C)CCN1C(=O)C(=Cc2c(N3CCN(Cc4ccccc4)CC3)nc3ccccn3c2=O)SC1=S 2296845187 BSMUGCBQRRZSEN-UHFFFAOYSA-N 533.723 4.264 10 10 KICE COc1ccc(N2CCN(c3ncnc(Nc4ccc(Br)cc4F)c3[N+](=O)[O-])CC2)cc1 40611250 BIDJBNFQZBYURD-UHFFFAOYSA-N 503.332 4.365 10 10 KICE O=C(NN1C(=O)/C(=C\c2ccc(OCC(=O)N3CCCCC3)cc2)SC1=S)c1ccccc1Cl 40940014 RMCHEEYNVRTHBR-XSFVSMFZSA-N 516.044 4.278 10 10 KICE CCOC(=O)[C@@H](c1ccccc1)N1C(=O)/C(=C\c2cc(Br)c(OCC(=O)N3CCOCC3)c(OC)c2)SC1=S 150437850 YOTHGQUNOWKUBX-JDCXBEBJSA-N 635.558 4.201 10 10 KICE Cc1ccc(/C=C2/SC(=S)N(CC(=O)N(Cc3ccc([C@@H]4C[C@H]4C)o3)[C@H]3CCS(=O)(=O)C3)C2=O)cc1 1615296235 XKTYEIZRQAHNLO-FUCSDKOVSA-N 544.720 4.129 10 10 KICE COC(=O)c1c(NC(=O)C(=O)NC[C@H](c2ccc(OC)cc2)N(C)C)sc(C)c1-c1ccc(C)c(C)c1 1860761365 SIRGVOXIOZYUKA-JOCHJYFZSA-N 523.655 4.493 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)c3ccc4nc(-c5ccccc5Cl)[nH]c4c3)CC2)cc1 1861888784 LJZOJQRSBCXTTE-GOSISDBHSA-N 518.017 4.359 10 10 KICE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccncc1)=C(N)O2 1864012758 IPHLXIKGEKYRKF-AREMUKBSSA-N 539.636 4.318 10 10 KICE C[C@@H](NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccn2)[C@@H]1c1ccc(O)c(O)c1)c1ccccc1 1864021607 DGJVJLWROCDTMQ-VLIAUNLRSA-N 537.498 4.269 10 10 KICE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@H](Cc3ccccc3)NC(=O)c3n[nH]c4c3CCCC4)cccc21 1866852043 VSUGBOQGGICIGY-VWLOTQADSA-N 518.573 4.044 10 10 KICE CC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccc(OC)cc1)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867458226 ZSLUSFZHBDNEMD-AJQTZOPKSA-N 625.770 4.409 10 10 KICE CCOc1ccc(C(=O)N[C@@H](CCSC)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867541693 ISBSWQPZMQTUPL-SVBPBHIXSA-N 526.747 4.346 10 10 KICE CC[C@](C)(NC(=O)[C@H](Cc1ccncc1)c1ccccc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868670540 OEITXYBKOKRNNW-OFSOJUDTSA-N 500.643 4.050 10 10 KICE CCC[C@@H](NC(=O)c1cc(C)n(-c2ccc(Br)cc2)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868767612 HBGKKPFDDCYBLJ-XMMPIXPASA-N 554.489 4.199 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)C[C@@H](c3ccccc3)c3nnc(C)o3)c3ccccc3)CC2)cc1 1868891753 QZIBUPNCDKEHKN-YTMVLYRLSA-N 539.636 4.115 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)n(-c4ccc(C)cc4)n3)CC2)cc1 1869969461 COYZQGZKTMUJHI-UHFFFAOYSA-N 527.585 4.380 10 10 KICE O=C(COc1cn(Cc2ccccc2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O)NCCCO 1871260340 HAGIKLUTQHLFPF-UHFFFAOYSA-N 512.610 4.130 10 10 KICE CCCOC(=O)c1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCN(C)C)C2=O)cc1 1873165600 QQGYUWRDHPEPNC-UHFFFAOYSA-N 528.653 4.092 10 10 KICE COc1ccc(N2CCN(CCC(=O)c3cccc(NC(=O)COc4cc(F)ccc4F)c3)CC2)cc1 1874728239 QVXOQIIUZLOOOE-UHFFFAOYSA-N 509.553 4.386 10 10 KICE Cc1cc(C)cc(OCCOc2ccc(C=C3C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)C(C)C)cc2)c1 2297346036 YBXAXTBOESBDRF-UHFFFAOYSA-N 526.640 4.161 10 10 KICE CC1CCN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)CC1 2314400952 SAWGRXRXERSLQG-UHFFFAOYSA-N 520.636 4.061 10 10 KICE O=C1C(=Cc2ccc(F)cc2)SC(=S)N1CCC(=O)N(Cc1ccc(N2CCCCC2)o1)[C@H]1CCS(=O)(=O)C1 2314829273 UUEQVRAZTIKRPE-NRFANRHFSA-N 591.752 4.216 10 10 KICE CS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4)c(Cl)c3)C(=N)N21 96460073 XCPVYBLTWJJOAT-FCASDSMHSA-N 509.396 4.194 10 10 KICE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCCCOc4ccccc4Cl)cc3)C(=N)N21 104561207 QVBGBXAZDPAJRN-DZEHKGNISA-N 533.031 4.199 10 10 KICE COC(=O)c1c(NC(=O)C(=O)Nc2ccc3c(c2)OCC(=O)N3C)sc(C)c1-c1ccc(C)c(C)c1 1860748970 QTCGBEFAZIFYTL-UHFFFAOYSA-N 507.568 4.059 10 10 KICE CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccncc1)=C(N)O2 1864010560 NQCBYBOJTKLBND-HSZRJFAPSA-N 532.000 4.295 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)[C@@H](Cc3ccccn3)c3ccccc3)CC2)cc1 1868666019 ZZXDUSKAYGNAOS-NSOVKSMOSA-N 532.710 4.003 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)[C@H]3C[C@H]3c3ccc(F)cc3)CC2)cc1 1868831187 HMVQXCOJWZNNBW-KCHLEUMXSA-N 501.602 4.014 10 10 KICE CCOC(=O)N1CCC(N2C(=O)C(NCCCCN3CCCC3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)CC1 1873167511 KTMDMIHRHCSTAV-UHFFFAOYSA-N 561.727 4.261 10 10 KICE CCOc1ccc(-n2c(C)cc(C=C3C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)CC(C)C)c2C)cc1 2297345520 DUCPYJOXDPQXGJ-UHFFFAOYSA-N 513.645 4.140 10 10 KICE CCCC[C@H](CC)CN1C(=O)C(=Cc2c(N3CCOCC3)nc3c(C)cccn3c2=O)SC1=S 2314414597 FJJKSKWGLNSZQE-SFHVURJKSA-N 500.690 4.257 10 10 KICE Cc1ccc(CN(C(=O)CCCN2C(=O)C(=Cc3ccc(Cl)cc3)SC2=S)[C@H]2CCS(=O)(=O)C2)o1 2314600062 AHKWEYFEAAUKSB-IBGZPJMESA-N 553.127 4.439 10 10 KICE CCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CCCC)c2N2C[C@H](C)O[C@H](C)C2)SC1=S 39991309 BSTGQMGDHNUPLG-POKCEJIYSA-N 502.706 4.443 10 10 KICE Cc1ccc(/C=C2/SC(=S)N(CCC(=O)N(Cc3ccc(N4CCCCC4)o3)[C@H]3CCS(=O)(=O)C3)C2=O)cc1 207308275 RLCPCCFSPJAOBD-ZRZWOPFXSA-N 587.789 4.386 10 10 KICE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NCc1cccs1)[C@@H]2c1ccc(O)c(O)c1 1864017283 JEXQETNKBGNZEA-OAQYLSRUSA-N 518.595 4.062 10 10 KICE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4-c4ccc(C)cc4)[C@H]3c3ccco3)CC2)cc1 1865303910 SPVIPJYZMMITDG-AREMUKBSSA-N 525.609 4.134 10 10 KICE CC(=O)Oc1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867722632 RSAICTQDAXNVDS-FIRIVFDPSA-N 556.707 4.362 10 10 KICE CC[C@@](C)(NC(=O)c1ccc(F)c(F)c1F)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867814258 PURKOLUMZFEESB-AJTFRIOCSA-N 504.597 4.412 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)/C(C)=C/c3ccccc3Cl)CC2)cc1 1868745354 HXRGNJLYRSXNNL-QYNZQUMISA-N 502.080 4.339 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCCCCN(C)C)C(=O)N(Cc3ccc4c(c3)OCO4)C2=O)cc1 1873167506 KPLDJVQAORLJDT-UHFFFAOYSA-N 514.626 4.034 10 10 KICE CCOc1cc(C=C2C(=N)N3C(SC)=NSC3=NC2=O)ccc1OCCOc1cccc(OC)c1 2297341025 HBSQZUTYPGJGAK-UHFFFAOYSA-N 512.613 4.491 10 10 KICE COc1cc(C=C2C(=N)N3N=C(C)SC3=NC2=O)cc(Cl)c1OCCOc1ccc(NC(C)=O)cc1 2297347351 VLOJPBCAIBFLQO-UHFFFAOYSA-N 527.990 4.404 10 10 KICE COc1ccc(CN2C(=O)C(=Cc3cc4ccccc4nc3N3CCC(C(N)=O)CC3)SC2=S)cc1 2314650452 HQXSDYGFYTULQO-UHFFFAOYSA-N 518.664 4.347 10 10 KICE COc1ccc(/C=C2/C(=O)N(c3ccccc3C)C(=S)N=C2O)cc1CN1C(=O)c2ccccc2C1=O 2277042 YZNZWIXNWIJEKM-KGENOOAVSA-N 511.559 4.471 10 10 KICE O=C1C[C@H](c2ccc(O)c(O)c2)c2c(cc(O)c3c2O[C@H](c2ccc(O)c(O)c2)[C@H](O)[C@H]3c2c(O)cc(O)c3c2O[C@H](c2ccc(O)c(O)c2)[C@@H](O)C3)O1 8234332 NWZBNZUABGSPSN-ZBBQFUFDSA-N 740.670 4.142 10 10 KICE biogenic,in-vitro CCCCn1c(N2CCCCCC2)c(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)c(C)c(C#N)c1=O 39991295 YAJKPGLRNXSKLL-HKWRFOASSA-N 516.689 4.275 10 10 KICE O=C(O)CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCCCC3)c2)SC1=S 101014358 YHSDOGIQWIMUFF-KQWNVCNZSA-N 582.729 4.390 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1 1084097608 GOTZKQFYTIRFHJ-MHZLTWQESA-N 527.646 4.214 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)C(C)(C)Oc3ccc(Cl)cc3)CC2)cc1 1862111564 GAXFDXYWMGEAIL-QHCPKHFHSA-N 520.095 4.093 10 10 KICE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC(C)C)=C(N)O2 1864012558 CYQYLEKIYDIXJJ-DEOSSOPVSA-N 538.620 4.060 10 10 KICE CCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H]1CCCC[C@H]1C)=C(N)O2 1864019638 ODGLTHJULIYSEL-JKHABCDFSA-N 502.615 4.295 10 10 KICE CC[C@@](C)(NC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867205157 DMAOQZCAYRSBIJ-WJOKGBTCSA-N 523.589 4.253 10 10 KICE CC(=O)Oc1ccc(C[C@H](NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867696909 LYEJZLZZUAKBKH-OIDHKYIRSA-N 740.323 4.037 10 10 KICE CCCN(CCC)c1cccc(C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCN(c3ccc(OC)cc3)CC2)n1 1868602622 DXJSVLIEQVPERQ-GDLZYMKVSA-N 543.712 4.407 10 10 KICE Cc1cccn2c(=O)c(C=C3SC(=S)N(CCC(=O)O)C3=O)c(N3CCC(Cc4ccccc4)CC3)nc12 2296706780 RNTRZOCDTPMLCY-UHFFFAOYSA-N 548.690 4.138 10 10 KICE O=C(CN1C(=O)SC(=Cc2cc(Br)cc(Br)c2O)C1=O)Nc1ccc(C(=O)O)cc1 2314833338 RYMNKOBLHORGRW-UHFFFAOYSA-N 556.188 4.290 10 10 KICE COCCNc1cc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)c2noc3c2c1C(=O)c1ccccc1-3 9642188 UVYFZKWPBKYJCA-UHFFFAOYSA-N 512.566 4.148 10 10 KICE O=C(O)C[C@H](C(=O)O)N1C(=O)/C(=C/c2cc(Br)ccc2OCC(=O)Nc2ccc(Cl)cc2)SC1=S 101965121 VWQZRLSSFCKKOX-TUBDAXHVSA-N 599.868 4.249 10 10 KICE Cc1cccc(C)c1OCCOc1ccc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc1Cl 104560042 CSLJLIPOFJBBLD-SVBOREBNSA-N 533.031 4.036 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)cc3O)c(=O)n2[C@@H]1c1ccc(SC)cc1 1084515641 DWMCIUUMRAXDEB-RUZDIDTESA-N 537.707 4.072 10 10 KICE CCN(CC)C(=O)COc1ccc(-c2c(C)sc(NC(=O)C(=O)NC3CC(C)(C)NC(C)(C)C3)c2C(=O)OC)cc1 1860764083 YTQVEKKNVKEERJ-UHFFFAOYSA-N 586.755 4.121 10 10 KICE COc1ccc(N2CCN(C(=O)CNC(=O)c3ccc4nc(-c5ccc6ccccc6c5)[nH]c4c3)CC2)cc1 1862092625 ZUXNRCVBXKAEEU-UHFFFAOYSA-N 519.605 4.470 10 10 KICE CCCCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccn2)[C@H]1c1ccc(O)c(O)c1 1864016514 QYDGIEBOGJKHNA-HSZRJFAPSA-N 511.582 4.347 10 10 KICE COc1ccc([C@@H](CC(=O)N[C@H](CO)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C(C)C)cc1C 1866772386 SCLJDSRWWRCHDJ-UKILVPOCSA-N 528.605 4.025 10 10 KICE O=C(Cc1ccc(N2CCOCC2)cc1)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866906213 MHKXWRQLGRIWAW-PMERELPUSA-N 573.649 4.207 10 10 KICE COc1ccc(N2CCN(CCC(=O)c3ccc(OC(=O)c4ccc(OC)c(OC)c4)cc3)CC2)cc1 1874739510 JVEPSTSLUVPMDK-UHFFFAOYSA-N 504.583 4.327 10 10 KICE COc1ccc(C=C2SC(=S)N(NC(=O)c3ccc(C(C)(C)C)cc3)C2=O)c(C(=O)O)c1OC 2314928754 BCDLCQDWNFSEFQ-UHFFFAOYSA-N 500.598 4.246 10 10 KICE COc1ccc(-c2cc3n(n2)C[C@](C)(C(=O)NCc2ccccc2)N(Cc2ccc(N(C)C)cc2)C3=O)cc1 21855229 FUYKRWHJGSRTAD-WJOKGBTCSA-N 523.637 4.356 10 10 KICE COc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(I)c(OS(=O)(=O)c4ccc(C)cc4)c(OC)c3)C2=O)cc1 150491686 JJLCHCCIBFAVKR-NDENLUEZSA-N 648.431 4.051 10 10 KICE Cc1cccn2c(=O)c(/C=C3\SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(N3CCC[C@@H](C)C3)nc12 1772721550 WUHZKXYLVFAQOB-MPGAHLTBSA-N 586.743 4.443 10 10 KICE COc1ccccc1CNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(Cl)cc2)[C@H]1c1ccc(O)c(O)c1 1864011946 NMMINPGYVGRDRC-RUZDIDTESA-N 547.011 4.324 10 10 KICE CCCCOCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2ccccc2F)[C@@H]1c1ccc(O)c(O)c1 1864018986 TYLSIVKSBDTZQO-DEOSSOPVSA-N 538.620 4.062 10 10 KICE CCCN(CCC)C(=O)C1=C(N)Oc2c(c(CC)nn2Cc2ccc(F)cc2)[C@H]1c1ccc(O)c(O)c1 1865035234 ORQOABCEKIMMHF-HSZRJFAPSA-N 508.594 4.387 10 10 KICE CCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1C)=C(N)O2 1865035312 QLBLSAPPLHYIFW-QMHKHESXSA-N 506.578 4.140 10 10 KICE COc1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c(Br)c(OC)c1OC 1865883437 GRVOUYVAZDRHTN-HXUWFJFHSA-N 520.468 4.498 10 10 KICE CC[C@H](CC(=O)N[C@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(Br)ccc1OC 1867138569 RRAQNEKWCKMDBH-WAIKUNEKSA-N 579.447 4.233 10 10 KICE COc1ccc(C(=O)N[C@H](Cc2ccc(OC(C)=O)cc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1OC 1867305081 PHTPUCHXSBWDDR-FIRIVFDPSA-N 616.759 4.380 10 10 KICE CCCC[C@H](NC(=O)Cc1nc(-c2cccc(OC)c2)oc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868654238 UGJGZGQXIJWEGO-SANMLTNESA-N 534.657 4.234 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(OC(C)=O)cc3)NC(=O)c3sc(C)nc3C(C)C)CC2)cc1 1868976188 YIUXEFHRLHLVSN-SANMLTNESA-N 564.708 4.199 10 10 KICE COc1ccc(N2CCN(c3cc(N4CC(=O)N5CCc6ccccc6[C@@H]5C4)nc(-c4ccccc4)n3)CC2)cc1 1869212366 MMJFDLNVMIYWDO-LJAQVGFWSA-N 546.675 4.425 10 10 KICE CC[C@H](C)N1C(=O)C(=Cc2c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)nc3ccc(C)cn3c2=O)SC1=S 2295838598 HLSUQXBCCVBOGN-IBGZPJMESA-N 577.732 4.054 10 10 KICE CCOC(=O)C1CCN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(Cc3ccc(F)cc3)C2=O)CC1 2296938577 VHHRHNCWNYCNKT-UHFFFAOYSA-N 552.653 4.015 10 10 KICE COc1c(I)cc(I)cc1C=C1C(=O)NC(=O)N(c2ccc(C)cc2C)C1=O 2313547851 DORGTGJFEYSICL-UHFFFAOYSA-N 602.166 4.188 10 10 KICE CCOC(=O)c1ccc(N2C(=O)C[C@H](N3C(=O)C(=CC(C)=Cc4ccccc4)SC3=S)C2=O)cc1 2314832139 AIZZJYLDTFYRPB-FQEVSTJZSA-N 506.605 4.343 10 10 KICE NS(=O)(=O)c1ccc(NC(=O)CCCCCN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)cc1 15044530 ZXPVNGWHAOLUJF-MPWPSHSKSA-N 515.682 4.291 10 10 KICE CCOC(=O)c1c(NC(=O)C(=O)Nc2sc(C)c(C)c2C(N)=O)sc(C)c1-c1ccc(F)cc1 1860767725 FISXPQLVLQCGNO-UHFFFAOYSA-N 503.577 4.394 10 10 KICE CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC(C)C)=C(N)O2 1864011662 XFBMOVRTPKLYES-JOCHJYFZSA-N 527.021 4.125 10 10 KICE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NCCc1ccc(F)cc1)[C@H]2c1ccc(O)c(O)c1 1864017424 MASFTZZXKXPJQM-DEOSSOPVSA-N 544.583 4.182 10 10 KICE CCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2-c2cccc(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1864021531 CLIQFGCYSOXPTE-JOCHJYFZSA-N 532.984 4.443 10 10 KICE CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCc1ccccc1)=C(N)O2 1864021576 PYPFASFMQKZJBM-XMMPIXPASA-N 504.631 4.346 10 10 KICE CN(C)c1ccc([C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)c2nccn2C)cc1 1865994299 SAAHGYQEYNWWCI-RRPNLBNLSA-N 511.626 4.229 10 10 KICE Cc1ccc(C(=O)N[C@@H](C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c2ccccc2)cc1S(=O)(=O)N(C)C 1866638012 JRMYTWWIZKIZDN-MUUNZHRXSA-N 581.650 4.131 10 10 KICE CCn1cc(OCCCOc2ccc(OC)cc2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870595447 MYVRMJMOTVACEQ-UHFFFAOYSA-N 507.631 4.056 10 10 KICE CCC(=O)Nc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCN3CCOCC3)C2=O)cc1 1873425798 MKLHMEADQMRLIQ-UHFFFAOYSA-N 555.679 4.357 10 10 KICE COc1cc(C=C2C(=N)N3C(SC)=NSC3=NC2=O)cc(OC)c1OCCOc1ccccc1C 2297344999 FLEXNKQDKDKCGX-UHFFFAOYSA-N 512.613 4.410 10 10 KICE CN1C(=O)C(=C2SC(=S)N(CCCC[C@@H](C(=O)O)N3C(=O)C(=C4C(=O)N(C)c5ccccc54)SC3=S)C2=O)c2ccccc21 2297450071 LEJRFCJLDRELSS-IBGZPJMESA-N 664.812 4.106 10 10 KICE CCCCCCN1C(=O)C(=Cc2c(N3C[C@H](C)O[C@H](C)C3)nc3c(C)cccn3c2=O)SC1=S 2314401428 YGJNUTSESOEGKS-HDICACEKSA-N 500.690 4.398 10 10 KICE C[C@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C3SC(=S)N(CCS(=O)(=O)O)C3=O)c2)C1 2314479205 CUEYZYDKVHIIID-IBGZPJMESA-N 632.811 4.049 10 10 KICE COc1ccc(/C=C2/C(=O)N(C3CCCCC3)C(=S)N=C2O)cc1CN1C(=O)c2ccccc2C1=O 33918178 ATKPZFQENHQRQQ-KGENOOAVSA-N 503.580 4.291 10 10 KICE Cc1cc(N2C(=O)N=C(O)/C(=C/c3cc([N+](=O)[O-])ccc3N3CCOCC3)C2=O)ccc1Br 59860250 YTOFGOUPIONNST-ATVHPVEESA-N 515.320 4.009 10 10 KICE CN(C)c1ccc([C@H]2CC(c3ccc([N+](=O)[O-])cc3)=NN2C(=O)CN2C(=O)C(=O)c3cc(Cl)ccc32)cc1 100901655 PSNYTYQWKRFRNM-XMMPIXPASA-N 531.956 4.221 10 10 KICE CC(C)S(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCCOc4ccccc4Cl)cc3)C(=N)N21 104562998 TVCZUYFUUVRPBC-ZCIRBWHOSA-N 533.031 4.198 10 10 KICE CCC[C@H](NC(=O)c1cc(C)n(-c2cccc(Cl)c2)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861886201 FWGNKLYRIBLBAS-DEOSSOPVSA-N 510.038 4.090 10 10 KICE NC1=C(C(=O)N2CCCC2)[C@@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(Cc3cccc(Cl)c3)c2O1 1865033645 FLWLYDUXQLDQGL-SFHVURJKSA-N 534.922 4.332 10 10 KICE CC1CCN(C(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3Cc3ccccc3)[C@H]2c2ccc(O)c(O)c2)CC1 1865034231 RWNUEHLHQZZQRZ-HXUWFJFHSA-N 528.531 4.315 10 10 KICE CCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N([C@@H](CC(C)C)C(=O)O)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867471294 DXCDYFBYUCHLLD-DTXPUJKBSA-N 633.790 4.090 10 10 KICE C[C@H]1CCCCN1c1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O 33781302 MFMGCGAXNHTZRX-JHDSZEHQSA-N 520.636 4.203 10 10 KICE CCCn1c(N2CCN(CC)CC2)c(/C=C2\SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)c(C)c(C#N)c1=O 110524492 MVQBHSCAAJECBJ-ITYLOYPMSA-N 595.791 4.041 10 10 KICE Cc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1nc3ccccc3[nH]1)=C(N)O2 1864008083 BHJVFYFZYQBVDC-XMMPIXPASA-N 542.983 4.133 10 10 KICE CCCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2ccccc2F)[C@@H]1c1ccc(O)c(O)c1 1864019437 YPWORZUYRQHSPW-QHCPKHFHSA-N 508.594 4.435 10 10 KICE CCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCC1)=C(N)O2 1864019942 RXTMNJZCGWFLHC-DEOSSOPVSA-N 502.615 4.357 10 10 KICE CCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C)CC1)=C(N)O2 1865032765 KBUYUKUTFPIZDP-QFIPXVFZSA-N 509.006 4.452 10 10 KICE CCCCN(CC)C(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccc(OC)cc2)[C@H]1c1ccc(O)c(O)c1 1865033318 WYTIXEDRGJKFDC-HSZRJFAPSA-N 506.603 4.198 10 10 KICE CC(C)(NC(=O)c1cc(N2CCCCS2(=O)=O)ccc1Cl)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866630906 CQSYQKHCGQDNTM-UHFFFAOYSA-N 580.062 4.193 10 10 KICE CC[C@@H](NC(=O)C[C@@H](c1ccccc1)c1nnc(C)o1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867032113 VLWCSHWXXMOTEG-XZOQPEGZSA-N 522.561 4.209 10 10 KICE CC[C@H](NC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867530337 FLFXHAPTQJPSRU-XZWHSSHBSA-N 581.717 4.405 10 10 KICE CC(C)c1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCN(C(=O)CCN3CCCC3)CC2)n1 1868227636 GLKVENWMJUMSLE-UHFFFAOYSA-N 552.679 4.254 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)CCCOc4ccc(Cl)cc4Cl)n(C)n3)CC2)cc1 1869969169 IEUKRJAFQJPZGJ-UHFFFAOYSA-N 519.433 4.255 10 10 KICE O=C1C(=Cc2c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccccc1 2297515394 PMCGLOWVBLWPMQ-UHFFFAOYSA-N 597.722 4.147 10 10 KICE O=C(CCCN1C(=O)/C(=C2/SC(=S)N(CCCC(=O)Nc3cccc(C(=O)O)c3)C2=O)SC1=S)Nc1cccc(C(=O)O)c1 56683790 PRZUGJAVEHTUSI-DQRAZIAOSA-N 672.788 4.153 10 10 KICE CCn1c(N2CCC(Cc3ccccc3)CC2)c(/C=C2/SC(=S)N(CCOC)C2=O)c(C)c(C#N)c1=O 105664766 LEIOEERLWFUBNC-JJIBRWJFSA-N 536.723 4.355 10 10 KICE COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCc2ccc(Cl)cc2)[C@@H]3c2ccc(O)c(O)c2)cc1 1864007585 PXPYRCOMLKXYDC-XMMPIXPASA-N 532.984 4.265 10 10 KICE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCc1cccs1)[C@@H]2c1ccc(O)c(O)c1 1864016671 VDQQYMNRAGGDEI-OAQYLSRUSA-N 502.596 4.444 10 10 KICE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCc1ccc(F)cc1)[C@@H]2c1ccc(O)c(O)c1 1864023142 USYYCUKLXAUBDX-LJQANCHMSA-N 534.510 4.162 10 10 KICE CSCC[C@@H](NC(=O)c1cccc(F)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867843424 WDQBCRRHZILASG-RPBOFIJWSA-N 500.684 4.087 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCN(C(=O)OC(C)(C)C)CC4)nc(Cc4ccccc4)n3)CC2)cc1 1867944560 MGZNSROFUOGRRM-UHFFFAOYSA-N 544.700 4.460 10 10 KICE CCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCC(c3nc(C)n(C)n3)CC2)n1 1868275706 VHWOIKMTCFMIEX-UHFFFAOYSA-N 507.598 4.379 10 10 KICE CC[C@@H](NC(=O)CCc1nc(-c2ccc(F)cc2)cs1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868916260 GMRPBQDLMDVLRZ-HSZRJFAPSA-N 510.635 4.134 10 10 KICE O=C(O)[C@@H](CO)N1C(=O)C(=Cc2cn(CCOc3ccc(Cl)cc3)c3ccccc23)SC1=S 2323832087 JDWCWICWVPZAHE-LJQANCHMSA-N 503.001 4.020 10 10 KICE O=C(O)CCCCCN1C(=O)/C(=C\c2c(N3CCc4ccccc4C3)nc3ccccn3c2=O)SC1=S 2345647 RSFLQMLIWNFVFR-LTGZKZEYSA-N 534.663 4.103 10 10 KICE CCSC1=NSC2=NC(=O)/C(=C/c3ccc(OCCOc4ccc(OC)cc4)c(OC)c3)C(=N)N12 96450631 NFLFYWOYRHDCLG-MRKXPFMVSA-N 512.613 4.491 10 10 KICE C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2c(N3CCC4(CC3)OCCO4)nc3ccccn3c2=O)SC1=S 109560843 VDIMNIHUYUDAQH-HGBKYHTQSA-N 534.663 4.000 10 10 KICE CCn1c(N2CCC(Cc3ccccc3)CC2)c(/C=C2\SC(=S)N(CCC(=O)O)C2=O)c(C)c(C#N)c1=O 110521407 XTYPIGMVZFHHAA-KQWNVCNZSA-N 550.706 4.183 10 10 KICE CC[C@@H](C)N1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2N2CCN(Cc3ccccc3)CC2)SC1=S 110521697 URDWPKXFVFZAQT-VKINRBECSA-N 535.739 4.370 10 10 KICE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC(C)C)=C(N)O2 1864012862 KYYHOOMKECQEBH-RUZDIDTESA-N 534.657 4.148 10 10 KICE COCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2Cl)[C@@H]1c1ccc(O)c(O)c1 1864015952 GXQRJFPUIQLPDI-QHCPKHFHSA-N 547.011 4.120 10 10 KICE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1cccc(Cl)c1)[C@H]2c1ccc(O)c(O)c1 1864022532 NYZKMGBAWAYZKG-KRWDZBQOSA-N 522.911 4.388 10 10 KICE COc1ccc(-c2nn(C)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)NCc2cc(C)ccc2C)=C(N)O3)cc1 1864022547 OIOPFFAYPHYUQN-XMMPIXPASA-N 526.593 4.135 10 10 KICE CCCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1C)=C(N)O2 1865029181 HUCPYYCGNJHBQD-KOSHJBKYSA-N 502.615 4.391 10 10 KICE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1ccccc1F 1865069260 UNRANMLFYVIMQQ-FQEVSTJZSA-N 545.537 4.113 10 10 KICE CSCC[C@H](NC(=O)c1ccccc1F)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867854796 XTOHXUMLDLEFTP-LOSJGSFVSA-N 500.684 4.087 10 10 KICE COc1ccc(N2C(=O)NC(=O)C(=Cc3cccn3-c3ccc([N+](=O)[O-])cc3Cl)C2=O)cc1Cl 2297346647 CVFCCZSBXWEMPY-UHFFFAOYSA-N 501.282 4.367 10 10 KICE Cc1ccc2nc(N3CCC(C)CC3)c(C=C3SC(=S)N(CCCCCC(=O)O)C3=O)c(=O)n2c1 2314399737 CJCQFEUFEPLKOC-UHFFFAOYSA-N 514.673 4.085 10 10 KICE COc1ccc(CCN2C(=O)/C(=C\c3c(N4C[C@@H](C)O[C@H](C)C4)nc4ccc(C)cn4c3=O)SC2=S)cc1OC 100850393 BIVVFMPTSUFJKM-XELNPYELSA-N 580.732 4.078 10 10 KICE CC(=O)Nc1ccc(/C=C2\SC(=O)N(CCN3C(=O)S/C(=C\c4ccc(N(C)C)cc4)C3=O)C2=O)cc1 103950243 PLVARDSYVMFTFA-HHQODBOJSA-N 536.635 4.484 10 10 KICE Cc1c(/C=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c(N2CCN(c3ccccc3)CC2)n(C)c(=O)c1C#N 150650717 SWVBCLFGGKUSPF-DIBXZPPDSA-N 637.791 4.096 10 10 KICE COc1ccc(N2CCN3c4ccc(C(F)(F)F)cc4C[C@H](C(=O)N4C[C@H](C)O[C@@H](C)C4)[C@H]3C2)cc1 248153772 YDAJVNQZJOUXIT-WVAJTSAMSA-N 503.565 4.217 10 10 KICE CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(F)cc1)=C(N)O2 1864009940 GCEHTFLNBKSLCA-DEOSSOPVSA-N 514.557 4.386 10 10 KICE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccco1)=C(N)O2 1864010622 PDHPJJDRXBIWQS-QFIPXVFZSA-N 520.973 4.493 10 10 KICE Cc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCC1)=C(N)O2 1864012094 QYYQXEXLILDLLK-HSZRJFAPSA-N 509.006 4.448 10 10 KICE CCCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)C13CC4CC(CC(C4)C1)C3)=C(N)O2 1864012535 CKNOGMQBUOGAQP-FOFPOYTISA-N 506.647 4.200 10 10 KICE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCc1ccc(OC)cc1)[C@@H]2c1ccc(O)c(O)c1 1864015743 DTQDHUPSWYWWFF-XMMPIXPASA-N 526.593 4.043 10 10 KICE COc1cccc2c1C(=O)N([C@@H](C(=O)Nc1cccc3c1C(=O)c1ccccc1C3=O)c1ccccc1)C2=O 1865841288 VZQAPDNAPRWECT-AREMUKBSSA-N 516.509 4.447 10 10 KICE CC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867620826 GMRZKIIVCZSKQO-CONSDPRKSA-N 595.744 4.401 10 10 KICE COc1ccc(N2CCN(Cc3cc(=O)c(OCC(=O)OC(C)C)cn3CCC3=CCCCC3)CC2)cc1 1870481166 WNKOTQDKJRACDI-UHFFFAOYSA-N 523.674 4.400 10 10 KICE CCCOC(=O)c1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCOC)C2=O)cc1 1873165802 VTPVAGNQNZXUSG-UHFFFAOYSA-N 515.610 4.177 10 10 KICE C[C@@H]1Cc2cc(-c3nn(-c4ccccc4)cc3C=C3SC(=S)N([C@H]4CCS(=O)(=O)C4)C3=O)ccc2O1 2296541908 IKDALLQSFLPWAU-IERDGZPVSA-N 537.688 4.251 10 10 KICE COCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)c2)SC1=S 2314475979 GTLQZVJKTAWERK-WOJBJXKFSA-N 598.772 4.185 10 10 KICE CC1CCN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)CC1 33467964 SAWGRXRXERSLQG-BKUYFWCQSA-N 520.636 4.061 10 10 KICE CCOC(=O)Oc1c2c(c(OC(=O)OCC)c3c1C(=O)c1cccc(OC)c1C3=O)[C@H](OC(=O)OCC)C[C@](O)(C(C)=O)C2 97976113 YJTXQIIZHCNWLB-JJCDCTGGSA-N 614.556 4.022 10 10 KICE CCOCCCNc1nc2ccc(C)cn2c(=O)c1/C=C1/SC(=S)N(CCc2ccc(OC)c(OC)c2)C1=O 100885068 GUZXANDQQOWPBA-XQNSMLJCSA-N 568.721 4.303 10 10 KICE COc1ccc(/C=C2\SC(N3CCN(C(=O)CCN4C(=O)/C(=C/c5ccc(OC)cc5)SC4=S)CC3)=NC2=O)cc1 103455629 KNIYVDDGACPPON-BOYKQRMESA-N 608.767 4.110 10 10 KICE O=C(O)C[C@]1(C(=O)O)N[C@H](c2ccc(/C=C/c3ccccc3)cc2)[C@@H]2C(=O)N(Cc3ccc4c(c3)C(=O)c3ccccc3C4=O)C(=O)[C@H]21 247451301 ZYANPVOTPCBXTC-MPPVYMEGSA-N 640.648 4.376 10 10 KICE CC(C)[C@H]1COc2ccccc2C(=O)NCCCCC2(CCN(Cc3cccc(F)c3O)CC2)C(=O)N1 643588768 IUERTMRAHYHBJF-XMMPIXPASA-N 511.638 4.247 10 10 KICE CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)c1ccc(OC)cc1)=C(N)O2 1864014080 NBICEROMHCLGQE-HJPURHCSSA-N 506.603 4.237 10 10 KICE CCCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCCO)=C(N)O2 1864014177 OTDUGXOPOSFYIY-SANMLTNESA-N 542.636 4.363 10 10 KICE CCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cc(C)ccc2C)[C@@H]1c1ccc(O)c(O)c1 1864015814 WCVBAKCDXFGKQA-IBGZPJMESA-N 516.520 4.199 10 10 KICE COc1ccc(-c2nc(CC(=O)N[C@H](C)C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c(C)o2)cc1 1866674427 XJNQZQLSVTWJHO-MRXNPFEDSA-N 523.545 4.120 10 10 KICE CN(C)c1ccc([C@H](CNC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)N2CCCCC2)cc1 1867698522 ZJXCPASDDJNAEN-LQJZCPKCSA-N 682.287 4.111 10 10 KICE CCCC[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867830782 DBZMXHUPGVYNBZ-IZZNHLLZSA-N 554.648 4.201 10 10 KICE COc1ccc(N2CCN(c3cc(N(C)C4CCN(C)CC4)nc(-c4cccc(OC)c4)n3)CC2)cc1 1867991352 UIIWBDMQTGLUQB-UHFFFAOYSA-N 502.663 4.018 10 10 KICE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)c3ccccc3SCC(=O)NCC3CCCCC3)CC2)cc1 1868602388 ZBWAQSHLWGIDOJ-UHFFFAOYSA-N 566.768 4.341 10 10 KICE CCCCOCCCN1C(=O)C(NCCCn2ccnc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873167943 DIWLOVHQOOJWDI-UHFFFAOYSA-N 503.647 4.257 10 10 KICE CCCCC[C@@H](CC)N1C(=O)C(NCCN2CCOCC2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873169651 FAYXZSMGKBISQY-RUZDIDTESA-N 506.691 4.455 10 10 KICE Cc1ccsc1CN(C(=O)CN1C(=O)C(=Cc2ccc(Cl)cc2)SC1=S)[C@@H]1CCS(=O)(=O)C1 2314600273 WLLNJPKRGZINBW-QGZVFWFLSA-N 541.141 4.127 10 10 KICE CCOc1ccc(NC(=O)CN2C(=O)/C(=C3/SC(=S)N(Cc4ccco4)C3=O)c3ccccc32)cc1 33333342 UATZCBODIVNQJM-GHVJWSGMSA-N 519.604 4.435 10 10 KICE CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OC 100224864 PIICNXWVPADLNM-ZSOIEALJSA-N 542.782 4.183 10 10 KICE COc1ccc(OC)c(-c2csc(NC(=O)C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)n2)c1 1860745102 XUSOIBXJUCJSLY-UHFFFAOYSA-N 513.531 4.180 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)/C=C/c3ccc(Cl)cc3Cl)CC2)cc1 1862145905 ZQGHRKAPEYZDQZ-LSABQMHNSA-N 506.455 4.266 10 10 KICE CCCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2-c2ccc(OC)cc2)[C@H]1c1ccc(O)c(O)c1 1864009750 CVKUBEKCMKRFLR-HSZRJFAPSA-N 506.603 4.246 10 10 KICE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N[C@@H](C)c1ccccc1)[C@H]2c1ccc(O)c(O)c1 1864022663 PRIRWFZGALQEGZ-UGSOOPFHSA-N 502.493 4.295 10 10 KICE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1ccccn1 1865379579 OIYWDZFALFDRGC-VWLOTQADSA-N 536.636 4.017 10 10 KICE CCOCCCN=c1nc(Nc2ccc(Cl)cc2C)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871567085 ATCCZLXHKAXQKU-UHFFFAOYSA-N 512.058 4.173 10 10 KICE COc1ccc(N2CCN(C(=O)c3ccc4nc(SCC(=O)N(C)Cc5ccccc5)[nH]c4c3)CC2)cc1 1872824979 MNURHFSKSXQCCM-UHFFFAOYSA-N 529.666 4.285 10 10 KICE O=C(NN1C(=O)C(=Cc2ccc(OCC(=O)N3CCCCC3)cc2)SC1=S)c1cccc(Cl)c1 2314764535 FWJFSAPMVCQROD-UHFFFAOYSA-N 516.044 4.278 10 10 KICE Cc1ccc2nc(NCCCOC(C)C)c(/C=C3\SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(=O)n2c1 110553090 ZZMKYUWAXGZLAE-KQWNVCNZSA-N 604.758 4.434 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)CCCOc3ccc4ccccc4c3)CC2)cc1 1862224888 WEZCOQSDXMECGA-NDEPHWFRSA-N 501.627 4.347 10 10 KICE CCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(OC)cc1)=C(N)O2 1864018438 LBOXLPSLYMWVSY-RUZDIDTESA-N 544.583 4.064 10 10 KICE CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccccc1)=C(N)O2 1864019459 ZBUFUQODEQOBTO-VWLOTQADSA-N 528.584 4.098 10 10 KICE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)O[C@H](C)C1)=C(N)O2 1865030252 GUXPHNWSYOKUMA-KYTVRQNUSA-N 546.668 4.242 10 10 KICE COc1ccc(C(=O)N[C@@H](C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c2ccccc2)cc1N1CCN(C)CC1 1867223277 KIODFSWLQGIRFT-WJOKGBTCSA-N 588.664 4.332 10 10 KICE Cc1cc(C)cc(OCCNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCN3CCOCC3)C2=O)c1 1873168595 BBQTXAQECIVFPS-UHFFFAOYSA-N 556.707 4.182 10 10 KICE C[C@@H]1Oc2ccc(-c3csc(NS(=O)(=O)c4ccc(Br)s4)n3)cc2N(C)C1=O 11858029 BCRFKTIABPHOEX-VIFPVBQESA-N 500.421 4.179 10 10 KICE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(c3ccc(F)cc3)CC1)=C(N)O2 1865031046 XVPZGMJMYQYXEZ-RUZDIDTESA-N 549.647 4.085 10 10 KICE CCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@@H](C)C1)=C(N)O2 1865032965 OTRGYSPUIYHLDE-XVTZWQNCSA-N 518.614 4.054 10 10 KICE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4Cc4ccc(F)cc4)[C@H]3c3ccco3)CC2)cc1 1865305878 UMKHHSBMBYAGRY-AREMUKBSSA-N 543.599 4.024 10 10 KICE CCC1=NN(Cc2c(F)cccc2Cl)C(=O)/C1=C/c1ccc(OCCN2CCOCC2)c(OC)c1 1865665172 FIWZUERPEKNGEI-XDJHFCHBSA-N 501.986 4.391 10 10 KICE CCOc1ccc(-c2nc(N3CCN(c4ccc(OC)cc4)CC3)cc(N3CCC[C@H]3C(=O)N=c3cc(C)o[nH]3)n2)cc1 1869322351 GWQVDJCPEYVQPS-MHZLTWQESA-N 583.693 4.203 10 10 KICE O=C(COc1cn(CCCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O)Nc1nccs1 1870937905 YICOBTPCRCTRGR-UHFFFAOYSA-N 505.600 4.060 10 10 KICE CCN(CC)c1ccc(Nc2nc(=NCC(C)C)nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]2)cc1 1871697368 QRVMHMYZTLBIJG-UHFFFAOYSA-N 504.683 4.286 10 10 KICE CC(C)Oc1ccc(/C=C2\SC(N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)=NC2=O)cc1 606629715 FPOVPDJWYNHLMA-QNGOZBTKSA-N 506.049 4.104 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)Cc3cc(OC)ccc3Cl)c3ccccc3)CC2)cc1 1861899674 XYLAEVNWGZMTRN-MHZLTWQESA-N 508.018 4.106 10 10 KICE COc1ccc(-c2nn(C)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)NCCc2ccc(Cl)cc2)=C(N)O3)cc1 1864021666 FEZXUBGSDXGYJP-HSZRJFAPSA-N 547.011 4.214 10 10 KICE CCC[C@@H](NC(=O)c1ccc(F)c(F)c1F)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867808601 BXKLBIIQZKKMQU-DHIUTWEWSA-N 504.597 4.412 10 10 KICE CCOC(=O)C1CCN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(Cc3ccccc3)n2)CC1 1867946571 MNZSELFNRUPULR-UHFFFAOYSA-N 515.658 4.182 10 10 KICE COCCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCO[C@H](c3ccncc3)C2)n1 1868254713 YWGMTISZZRQNDD-DEOSSOPVSA-N 521.577 4.157 10 10 KICE CCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CC[C@@H](O)C[C@@H]2c2ccc(OC)c(OC)c2)n1 1869231561 YCCAJGACCBMNTH-AOYPEHQESA-N 547.700 4.484 10 10 KICE CCCNC(=O)COc1cn(CCc2cnc[nH]2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871135006 QHJWXHQFTSEWTG-UHFFFAOYSA-N 500.603 4.075 10 10 KICE CCN(CC)CCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CC2CCC(C(=O)OC)CC2)C1=O 1873169229 GHYIWMBZRYLFIT-UHFFFAOYSA-N 534.701 4.085 10 10 KICE COc1ccc([C@@H](CNC(=O)CN2C(=O)C(=Cc3ccc(F)cc3)SC2=S)N2CCCCC2)cc1 2314625275 WKQFTSVDOYRZOA-JOCHJYFZSA-N 513.660 4.379 10 10 KICE CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CN2C(=O)C(=Cc3ccc(F)cc3)SC2=S)cc1 2314627560 ILDMAUKFQHONKH-QFIPXVFZSA-N 513.660 4.301 10 10 KICE O=C(O)C[C@H](C(=O)O)N1C(=O)C(=Cc2cc(Cl)ccc2OCC(=O)Nc2ccc(Cl)cc2)SC1=S 2314842285 MBFQVOHVKKYMAG-OAHLLOKOSA-N 555.417 4.140 10 10 KICE CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1O 101688134 XBGZREUHCIRJOJ-AWNIVKPZSA-N 526.714 4.024 10 10 KICE CCn1c(N2CCCCC2)c(/C=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c(C)c(C#N)c1=O 110520944 JSGKMZPSSGKSCJ-KQWNVCNZSA-N 574.732 4.242 10 10 KICE Cc1c(N2C(=O)/C(=C/c3c(N4C[C@H](C)C[C@@H](C)C4)nc4ccccn4c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C 1772721399 PHSRBAIZOJWDLY-NNCBWZTOSA-N 586.743 4.380 10 10 KICE COc1cccc2c1C(=O)N([C@@H](C(=O)Nc1ccc3c(c1)C(=O)c1ccccc1C3=O)c1ccccc1)C2=O 1865839482 FCSNBKSZGVENAW-AREMUKBSSA-N 516.509 4.447 10 10 KICE CCCCc1ccc(Nc2nc(=NC[C@H]3CCCO3)nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]2)cc1 1871503068 WZJWYMFPINDDOG-AREMUKBSSA-N 517.678 4.306 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCc3nc4ccccc4[nH]3)C(=O)N(CCCn3ccnc3)C2=O)cc1 1873168637 CTPBMPPDCCYYGN-UHFFFAOYSA-N 519.609 4.127 10 10 KICE COc1ccccc1OCCOc1ccc(C=C2C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1OC 2293128364 LXBBCWVJBHUIQF-UHFFFAOYSA-N 502.523 4.136 10 10 KICE COc1ccc(CCN2C(=O)C(=C3C(=O)N(CC(=O)NCc4ccccc4)c4ccccc43)SC2=S)cc1 2296716269 UJZISNOUUVHHSV-UHFFFAOYSA-N 543.670 4.172 10 10 KICE CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3cn(CCOc4cccc(C)c4)c4ccccc34)C(=N)N21 2297345386 RNUXJZNVZWPSCB-UHFFFAOYSA-N 521.624 4.040 10 10 KICE Cc1ccc(OCCCOc2ccc(C=C3C(=N)N4N=C(CC(=O)N5CCCC5)SC4=NC3=O)cc2)cc1 2297468215 PBEFHLIJZLUAIY-UHFFFAOYSA-N 531.638 4.475 10 10 KICE CCCCOC(=O)c1ccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3CC(C)C)[C@@H]2c2ccc(O)c(O)c2)cc1 1864009379 GHQQJKUXYVZKDZ-VWLOTQADSA-N 548.640 4.227 10 10 KICE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCC)=C(N)O2 1864012684 GOQLYLBITHNQSE-FQEVSTJZSA-N 517.413 4.433 10 10 KICE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN(CC)CC)=C(N)O2 1864017533 OJGVAXWVQQBVKQ-QHCPKHFHSA-N 540.064 4.042 10 10 KICE CCCn1nc(CC)c2c1OC(N)=C(C(=O)NCc1cccc(C(F)(F)F)c1)[C@@H]2c1ccc(O)c(O)c1 1864022173 VGFIRDLQODRBOL-HXUWFJFHSA-N 516.520 4.297 10 10 KICE CC(=O)Oc1ccc(C[C@@H](NC(=O)C[C@H]2CCCCO2)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 1867248626 NGRAJSWSULCDGZ-AJTFRIOCSA-N 554.599 4.013 10 10 KICE COCCN(CCOC)c1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(-c2ccc(Cl)cc2)n1 1867981484 NAYJQEFLMCHVQS-UHFFFAOYSA-N 512.054 4.231 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCN(c5ccc(OC)cc5)CC4)nc(-c4cccnc4)n3)CC2)cc1 1868004163 MNPAWCUZPYJYMU-UHFFFAOYSA-N 537.668 4.209 10 10 KICE CCCC[C@@H](NC(=O)CCc1csc(-c2ccncc2)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868909827 PLHIXQUGRIHHIP-RUZDIDTESA-N 521.687 4.170 10 10 KICE CCCCn1cc(OCC(=O)Nc2ccc(F)cc2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870734334 FJCTZMHXNFTPPJ-UHFFFAOYSA-N 522.621 4.136 10 10 KICE COc1ccc(C=C2C(=O)NC(=S)N(c3cccc(F)c3)C2=O)cc1COc1ccc(NC(C)=O)cc1 2296114053 KDKDSNJGRPWSPB-UHFFFAOYSA-N 519.554 4.203 10 10 KICE O=C1C(=Cc2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)SC(=S)N1CCS(=O)(=O)O 2314427823 SHZZKCAQNALCPU-UHFFFAOYSA-N 511.606 4.375 10 10 KICE COc1ccc(N2CCN(C(=O)c3ccc(C[S@](=O)c4ccc(Br)cc4)o3)CC2)cc1 9693880 YMDXFKFTUNSZSW-WJOKGBTCSA-N 503.418 4.321 10 10 KICE COc1ccc(N2CCN(c3ncnc4sc(C(=O)NCc5ccccc5OC)c(C)c34)CC2)cc1 10013137 FSNQEIUIFIYPMT-UHFFFAOYSA-N 503.628 4.274 10 10 KICE CCCn1c(N2CCC[C@@H](C)C2)c(/C=C2\SC(=S)N(CCCOCC)C2=O)c(C)c(C#N)c1=O 39990091 HOPRAFOQDTXSGW-RHTHQAGFSA-N 502.706 4.303 10 10 KICE CN(C)c1ccc([C@H]2CC(c3ccc(Br)cc3)=NN2C2=NC(=O)[C@@H](CC(=O)O)S2)cc1 72413114 PNHNYXOGCNXLBJ-RTBURBONSA-N 501.406 4.139 10 10 KICE O=C(O)COc1cccc(/C=C2\SC(=S)N(NC(=O)c3ccc(OCc4ccccc4)cc3)C2=O)c1 210879776 HYKQHTFNJJKLJM-HMAPJEAMSA-N 520.588 4.275 10 10 KICE Cc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(Cl)cc1)=C(N)O2 1864012035 PPSIWGVZHXOQAV-XMMPIXPASA-N 534.975 4.455 10 10 KICE CCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1F)=C(N)O2 1864019586 MUZAMETYLRFRLV-RUZDIDTESA-N 528.584 4.364 10 10 KICE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N[C@@H](C)c1ccc(OC)cc1)[C@@H]2c1ccc(O)c(O)c1 1864022978 SVNJRQUZKPAUBD-ORAYPTAESA-N 532.519 4.304 10 10 KICE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@@H](C)C1)=C(N)O2 1865028401 UFWDUUNPASWGOQ-HUYGQZFBSA-N 509.006 4.444 10 10 KICE C[C@@H]1CN(C(=O)C2=C(N)Oc3c(c(-c4ccccc4)nn3-c3ccccc3)[C@H]2c2ccc(O)c(O)c2)C[C@@H](C)O1 1865030816 RPMCDZKWUDUCTQ-MPCDZSKCSA-N 538.604 4.281 10 10 KICE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4Cc4ccc(C)cc4)[C@@H]3c3ccco3)CC2)cc1 1865305781 ROZDNJHEKCJDHH-MHZLTWQESA-N 539.636 4.193 10 10 KICE O=C(C[C@H](c1ccccc1)c1ccc(F)c(F)c1)N[C@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867123565 ZBTWGVPEHBBTML-YIXXDRMTSA-N 554.549 4.378 10 10 KICE CCC[C@H](NC(=O)c1cc(OC)c(OC)c(OC)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867338052 AKPKCVLMMWGZFN-LOSJGSFVSA-N 540.705 4.020 10 10 KICE CN(C)c1ccc([C@H](CNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)c2ccc(F)cc2)N2CCCCC2)cc1 1867342746 RLZFHZUTBJTYDZ-WDYNHAJCSA-N 532.660 4.282 10 10 KICE CCCC[C@H](NC(=O)Cc1nc(-c2cccc(F)c2)oc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868640242 GRBWVRHNVWNCDL-VWLOTQADSA-N 522.621 4.364 10 10 KICE COc1cc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCN3CCOCC3)C2=O)c(OC)cc1Cl 1873425554 FLNMZCTYSPKQCK-UHFFFAOYSA-N 565.070 4.289 10 10 KICE COc1ccc(N2CCN(CCC(=O)c3ccc(OC(=O)c4ccc(OC(C)=O)cc4)cc3)CC2)cc1 1874743366 CYAWXXUORCKKAC-UHFFFAOYSA-N 502.567 4.235 10 10 KICE COc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCc1cccc2ccccc12 2297345027 JAKAXVYUFJKBOZ-UHFFFAOYSA-N 520.592 4.049 10 10 KICE CCOc1cc(/C=C2/SC(=S)N(CCC(=O)OC)C2=O)cc(Br)c1OCC(=O)N1CCCCC1 101741028 WQMXRHRHMPRUOI-QGOAFFKASA-N 571.515 4.003 10 10 KICE CC[C@H](C)N1C(=O)/C(=C\c2c(N3CCN(c4ccccc4OC)CC3)nc3ccccn3c2=O)SC1=S 102434355 ONUMBXUTDGJCCM-VJWQYWRGSA-N 535.695 4.029 10 10 KICE CC[C@H](C)c1ccc(OCCOc2ccc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2)cc1 205733798 OCDRTZGBGNVQEH-UWOHZJBKSA-N 526.640 4.279 10 10 KICE COc1ccc(CCN2C[C@H](O)C(C)(C)COCCC[C@@H]3CN(Cc4ccc(O)c(O)c4)CC[C@@H]3CC2=O)cc1 1616168170 RSBRAZVGIJLTDE-MQNCWCGJSA-N 554.728 4.203 10 10 KICE CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(Cl)cc1)=C(N)O2 1864013130 QRXCJUSKCYIVJY-DEOSSOPVSA-N 546.027 4.338 10 10 KICE CC(C)CNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1864015099 JMIMNTXHYVYPRL-QGZVFWFLSA-N 522.911 4.423 10 10 KICE CCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)cc2)[C@H]1c1ccc(O)c(O)c1 1864015119 JVMXFOHQEFIIKK-QGZVFWFLSA-N 522.911 4.236 10 10 KICE CCc1ccc([C@@H]2C(C(=O)N3CCN(c4ccc(OC)cc4)CC3)=C(N)Oc3c2c(CC)nn3CC)cc1 1865503063 MJZUCGPJKVBUQM-VWLOTQADSA-N 515.658 4.080 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCCCN3CCOCC3)C(=O)N([C@H]3CCCC[C@H]3C)C2=O)cc1 1873169346 KONIUMCQXQIRBU-RLWLMLJZSA-N 504.675 4.065 10 10 KICE CCCn1c(C(=O)Nc2cccc(OC)c2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873650250 NRYWADGVSQRLIB-UHFFFAOYSA-N 500.603 4.437 10 10 KICE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCCN(OCc1ccccc1)C(=O)OC(C)(C)C 2080888126 PSENIULHFPYELO-NRFANRHFSA-N 545.633 4.019 10 10 KICE COCCCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3cccc(Br)c3)c3ccccc32)SC1=S 2296712228 LPVHHKDYLWXUKW-UHFFFAOYSA-N 546.468 4.042 10 10 KICE O=C(O)COc1ccc(C=C2C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1 2297549476 GIVVIPIWMGGMSU-UHFFFAOYSA-N 500.551 4.284 10 10 KICE Cc1cc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccccc1C(=O)O 2313561159 XFEGJGXVJQYUQW-UHFFFAOYSA-N 524.396 4.386 10 10 KICE CCOC(=O)N1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N([C@H](C)c3ccccc3)C2=O)CC1 100849822 LYYNDXJQTXRAFL-ACXJOVJBSA-N 563.705 4.244 10 10 KICE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(Cc4ccc(F)cc4)C3=O)c(N3CCSCC3)nc12 102436468 DAMUULLZVOKDND-CPNJWEJPSA-N 512.657 4.097 10 10 KICE N=C1/C(=C\c2ccc(OCCOc3ccccc3)cc2)C(=O)N=C2SC(CC(=O)N3CCCCC3)=NN12 102479171 ROOISQCDGXZRMW-VCLADSRUSA-N 517.611 4.166 10 10 KICE CN1C(=O)C(=Cc2ccc(Sc3nnc(Cc4cccc5ccccc45)n3C)c([N+](=O)[O-])c2)C(=O)N(C)C1=O 103773086 XXIIJKPSGUYNBU-UHFFFAOYSA-N 542.577 4.052 10 10 KICE COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1 103849896 NRGJGUZEPYYRPD-XKZIYDEJSA-N 537.931 4.204 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)cc3O)c(=O)n2[C@H]1c1ccc(Cl)cc1 1084393469 IEOROJKAXCEKHB-DEOSSOPVSA-N 526.058 4.004 10 10 KICE Cc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1)=C(N)O2 1864008408 JXTGSSURFORAOF-HSZRJFAPSA-N 502.958 4.256 10 10 KICE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOCC)=C(N)O2 1864012656 GAZPPNLSGZRJKL-RUZDIDTESA-N 534.657 4.149 10 10 KICE Cc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)C1CCCCC1)=C(N)O2 1865026257 LDDDCYFXYGELIP-XMMPIXPASA-N 506.578 4.276 10 10 KICE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)N2CCOc4ccccc42)[C@@H]3c2ccc(O)c(O)c2)cc1 1865028360 SNQNHOKRIGOLDY-AREMUKBSSA-N 524.577 4.080 10 10 KICE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)N1CCCC[C@H]1C)[C@H]2c1ccc(O)c(O)c1 1865034397 VWBGSZGGAJBKLJ-ZHRRBRCNSA-N 504.587 4.085 10 10 KICE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4CC(C)C)[C@H]3c3ccc(F)cc3)CC2)cc1 1865513834 HOYYZUQIGDXORR-RUZDIDTESA-N 519.621 4.039 10 10 KICE O=C(COc1cccc2c1C(=O)N(C1CCCCC1)C2=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1865837861 HKMJRWMJZGQFBJ-UHFFFAOYSA-N 508.530 4.408 10 10 KICE CCCC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(CCCOC)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867518279 NTNHIPNPWMSDPP-IHLOFXLRSA-N 605.780 4.017 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)CCCc3ccccc3C)CC2)cc1 1868952462 YVZDTJCVESMUSP-GDLZYMKVSA-N 515.654 4.108 10 10 KICE COCCCN1C(=O)C(NCCCc2nc3ccccc3[nH]2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873168581 AKLCOPYSRNNFQG-UHFFFAOYSA-N 511.626 4.309 10 10 KICE Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(N3CCC[C@@H](C)C3)nc12 2314414339 WPEYGQDHYLJLIQ-MRXNPFEDSA-N 534.663 4.369 10 10 KICE Cc1ccc(C=C2SC(=S)N(CCC(=O)N(Cc3sccc3C)[C@H]3CCS(=O)(=O)C3)C2=O)cc1 2314600193 QLMKHXXSUHPECQ-IBGZPJMESA-N 534.750 4.172 10 10 KICE CCCOC(=O)CCN1C(=O)C(=Cc2cc(Br)c(OCC(=O)N3CCCCC3)c(OC)c2)SC1=S 2314761694 XCMCVEKOCQXROQ-UHFFFAOYSA-N 585.542 4.394 10 10 KICE CCCCCCN1C(=O)/C(=C\c2c(N3CCC(C(=O)OCC)CC3)nc3ccccn3c2=O)SC1=S 33859940 OYXOGHPMHBJTHF-LVZFUZTISA-N 528.700 4.256 10 10 KICE COc1ccc(C=c2sc3n(c2=O)[C@@H](c2ccc(N(C)C)cc2)C(C(=O)Nc2ccccc2C)=C(C)N=3)cc1 252669661 IHIKPMIWPXWBDH-NDEPHWFRSA-N 538.673 4.257 10 10 KICE Cc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1)=C(N)O2 1864008765 RRPHLXDLOVEVBM-QHCPKHFHSA-N 547.409 4.365 10 10 KICE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccnc1)=C(N)O2 1864013080 PQJRJLGSYOCLAE-AREMUKBSSA-N 539.636 4.318 10 10 KICE COCCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1 1864015528 BMKJEBLWESAMAS-RUZDIDTESA-N 540.620 4.165 10 10 KICE COC(=O)c1c(NC(=O)[C@@H](CCC(N)=O)NC(=O)OCc2ccccc2)sc(C)c1-c1ccc(C)cc1 1866116611 KORDOKCABZJGGI-HXUWFJFHSA-N 523.611 4.318 10 10 KICE COC(=O)c1c(NC(=O)[C@H](CCC(N)=O)NC(=O)OC(C)(C)C)sc(C)c1-c1ccc(C)c(C)c1 1866239165 GDMRAPOXKQVCRU-KRWDZBQOSA-N 503.621 4.224 10 10 KICE COc1ccccc1NCCC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866888178 IXPDJSYOAFRVDS-HHHXNRCGSA-N 563.610 4.344 10 10 KICE O=C(N[C@@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(-c2cc3ccccc3[nH]2)cc1 1867064887 ZKDRCTOXCRWNEP-MHZLTWQESA-N 529.552 4.340 10 10 KICE COc1ccc(C(=O)N[C@@H](Cc2ccc(OC(C)=O)cc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867311989 XGZHJULGOVJYFY-AJQTZOPKSA-N 586.733 4.371 10 10 KICE CCCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N([C@@H](CC(C)C)C(=O)O)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867473986 ZWRSOTBBZVAECB-CHQNGUEUSA-N 647.817 4.480 10 10 KICE CCC[C@H](NC(=O)c1ccc(F)c(F)c1F)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867808602 BXKLBIIQZKKMQU-GOTSBHOMSA-N 504.597 4.412 10 10 KICE CCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867919761 GPUSZCZMGILZCS-KYJUHHDHSA-N 599.732 4.384 10 10 KICE COc1ccc(N2CCN(C(=O)CNC(=O)[C@H](CC(C)C)c3cccc(Br)c3)CC2)cc1 1869001567 NWFTUAZNQHDMOS-HSZRJFAPSA-N 502.453 4.052 10 10 KICE CN(C)CCn1cc(OCC(=O)Nc2nccs2)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870938248 QUKUNNXOTNODIC-UHFFFAOYSA-N 518.643 4.240 10 10 KICE CCCOc1c(I)cc(I)cc1C=C1C(=O)NC(=O)N(CCc2ccccc2)C1=O 2313548268 QNINOEMGTZXJKW-UHFFFAOYSA-N 630.220 4.389 10 10 KICE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(Br)cc1OCC(=O)Nc1ccccc1 2313556862 MZMKZICDRUNNAG-UHFFFAOYSA-N 608.401 4.260 10 10 KICE CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(N(C)C)cc4)N[C@](CC4CCCCC4)(C(=O)O)[C@@H]3C2=O)cc1 248077362 UOMNMYNMPFMTNY-OKUYAMHMSA-N 517.626 4.199 10 10 KICE COc1ccc(C(=O)N[C@@H](CSCc2ccccc2)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1862058532 RDNHCSUIINFLGY-MHZLTWQESA-N 519.667 4.084 10 10 KICE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCCc1ccccc1)[C@H]2c1ccc(O)c(O)c1 1864015997 HDUDTXRANQYKFX-DEOSSOPVSA-N 510.594 4.425 10 10 KICE Cc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C)CC1)=C(N)O2 1865027860 MNYVVTUNFTZVLG-JOCHJYFZSA-N 539.430 4.308 10 10 KICE CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCCC[C@H]1CCO)[C@@H]2c1ccc(O)c(O)c1 1865032086 VHUUYGCCJVIKKY-XUZZJYLKSA-N 532.641 4.075 10 10 KICE C[C@@H]1CCCN(C(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3Cc3ccccc3F)[C@H]2c2ccc(O)c(O)c2)C1 1865033524 BPTBGXVCHRTUTL-JLTOFOAXSA-N 546.521 4.454 10 10 KICE CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1cccc(OCC)c1 1865251269 PWWNNLQPZYVDOF-SANMLTNESA-N 545.684 4.306 10 10 KICE CCCOc1ccc([C@H]2C(C(=O)N3CCN(c4ccc(OC)cc4)CC3)=C(N)Oc3c2c(C)nn3CCC)cc1 1865271280 XZYQTXPPRFAEJH-HHHXNRCGSA-N 545.684 4.442 10 10 KICE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1ccco1 1865311776 HGWGOFHPXVUZLZ-XMMPIXPASA-N 525.609 4.215 10 10 KICE CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1sccc1C 1865333765 GUQCJPJRYBVPDR-QFIPXVFZSA-N 507.660 4.023 10 10 KICE CSCC[C@@H](NC(=O)c1ccccc1F)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867854795 XTOHXUMLDLEFTP-JWQCQUIFSA-N 500.684 4.087 10 10 KICE COCCCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3cccc(C(F)(F)F)c3)c3ccccc32)SC1=S 2296538492 RVDDRHCMVHFFEQ-UHFFFAOYSA-N 535.569 4.299 10 10 KICE CSCC[C@]1(C(=O)O)N[C@H](c2cccc(OC(F)(F)F)c2)[C@@H]2C(=O)N(Cc3ccc4c(c3)C(=O)c3ccccc3C4=O)C(=O)[C@@H]21 247550668 VUWIJPFWNXXWQO-BHUVWSLTSA-N 638.620 4.383 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)[C@H](C)Oc3ccc(C(C)C)cc3)CC2)cc1 1862216321 LVNHUAJGJIDGMJ-HFZDXXHNSA-N 513.704 4.173 10 10 KICE Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccncc1)=C(N)O2 1864007338 KXILVSYASYLCKI-JOCHJYFZSA-N 538.391 4.305 10 10 KICE COc1ccc(-c2nn(C)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)NCc2ccc(Cl)cc2)=C(N)O3)cc1 1864022052 JNASDWIDNWVDLP-JOCHJYFZSA-N 532.984 4.171 10 10 KICE O=C(O)CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCCC3)c2)SC1=S 101013271 BFUKKVURLMDRGU-QJOMJCCJSA-N 582.729 4.390 10 10 KICE CS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(OCCSc4ccc(Cl)cc4)cc3)C(=O)N=C2S1 102467761 WDWPPMPLEZWNCD-UPLGOKCCSA-N 521.045 4.132 10 10 KICE Cc1ccc2nc(NCCCn3ccnc3)c(/C=C3/SC(=S)N(CCc4ccccc4)C3=O)c(=O)n2c1 103656871 JZDIHSQOIZRKSU-CJLVFECKSA-N 530.679 4.146 10 10 KICE O=C(O[C@H]1Cc2c(O)cc(O)cc2O[C@H]1c1cc(O)c(=O)c2c(O)c(O)cc([C@H]3Oc4cc(O)cc(O)c4C[C@H]3OC(=O)c3cc(O)c(O)c(O)c3)c2c1)c1cc(O)c(O)c(O)c1 150351768 ZEASWHWETFMWCV-FAOXSHALSA-N 868.709 4.176 10 10 KICE endogenous,in-man COC(=O)[C@H](NC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21)c1ccccc1 1616127702 YNDVIWIPQPIHJV-PXJZQJOASA-N 522.605 4.209 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)cc3)c(=O)n2[C@@H]1c1ccc(OCC)c(OC)c1 1772727958 KUCXSTBMDPTVHP-HHHXNRCGSA-N 549.693 4.052 10 10 KICE CCCOc1ccc([C@@H]2C(C(=O)N3CCN(c4ccc(OC)cc4)CC3)=C(N)Oc3c2c(C)nn3CC)cc1 1865269731 DKZNGPLOJGSCAJ-SANMLTNESA-N 531.657 4.052 10 10 KICE COc1cc(Cl)c(OC)c2c(=O)cc(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)[nH]c12 1866523439 YSBUINKFTDUREL-NRFANRHFSA-N 513.038 4.222 10 10 KICE CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)Nc3ccccc3OC(C)C)cc1C2=O 1873925872 WBAWVFATVSBBON-UHFFFAOYSA-N 501.491 4.352 10 10 KICE COc1ccc(N2CCN(CCC(=O)c3cccc(OC(=O)c4c(OC)cccc4OC)c3)CC2)cc1 1874729640 FLSHESBFYFWURD-UHFFFAOYSA-N 504.583 4.327 10 10 KICE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2313557582 GWKWJJBZHJAJSV-UHFFFAOYSA-N 522.401 4.109 10 10 KICE COc1ccc(CCN2C(=O)/C(=C\c3c(N4C[C@H](C)O[C@@H](C)C4)nc4ccc(C)cn4c3=O)SC2=S)cc1OC 100850394 BIVVFMPTSUFJKM-HGDOOPNHSA-N 580.732 4.078 10 10 KICE CN(C)c1ccc([C@@H]2CC(c3cccc(Br)c3)=NN2C(=O)CN2C(=O)C(=O)c3ccccc32)cc1 100901425 LMIBXAODVWSFJG-DEOSSOPVSA-N 531.410 4.422 10 10 KICE Cc1nnc(SCC(=O)Nc2ccc3c(c2)C(=O)c2ccc(NC(=O)CSc4nnc(C)s4)cc2C3=O)s1 105528103 HGWLRYDUAOEESU-UHFFFAOYSA-N 582.714 4.243 10 10 KICE COc1ccc(CCN2C(=O)/C(=C/c3c(C)c(C#N)c(=O)n(C)c3N3CCCCCC3)SC2=S)cc1OC 110520481 PTNJTPNMOCOTPX-JLPGSUDCSA-N 552.722 4.407 10 10 KICE CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(OC)cc1)=C(N)O2 1864018835 RROAOSBRXLFXNQ-VWLOTQADSA-N 544.583 4.064 10 10 KICE CC(=O)Nc1cccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867638612 IUXRMJZLPQJFLL-CONSDPRKSA-N 555.723 4.396 10 10 KICE CN(C)c1ccc([C@H](CNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)c2cccc(F)c2)N2CCCCC2)cc1 1867837414 AIANUVOVQFUTEK-WDYNHAJCSA-N 532.660 4.282 10 10 KICE COCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cc(C(C)C)cc(C(C)C)c2)[nH]1 1871673476 ZHVLPRCKBBMMBH-UHFFFAOYSA-N 519.694 4.099 10 10 KICE CCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCOCC3)c2)SC1=S 2314475822 CZBMGGZEIKIPKF-UHFFFAOYSA-N 554.719 4.171 10 10 KICE COc1cc(NC(=O)c2cc(I)ccc2Cl)c(N2CCOCC2)cc1OC 20496324 XQKSBEZFVKQFHI-UHFFFAOYSA-N 502.736 4.051 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cccc(Cl)c3Cl)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 725401047 CEODONKIHTUHBV-QFIPXVFZSA-N 516.450 4.171 10 10 KICE CCOc1c(I)cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1I 1084053313 UBAGTVTXMNBOBP-XFFZJAGNSA-N 622.197 4.265 10 10 KICE CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)c1ccccc1)=C(N)O2 1864013605 YFYIOZUDPPBTBJ-BXKMTCNYSA-N 511.582 4.203 10 10 KICE CC(C)NC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2F)[C@@H]1c1ccc(O)c(O)c1 1864016715 VZDFBXFMZCRHQZ-QHCPKHFHSA-N 514.557 4.368 10 10 KICE CC(=O)Oc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867722631 RSAICTQDAXNVDS-CONSDPRKSA-N 556.707 4.362 10 10 KICE CCCN(CCC)c1cccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(c3ccc(OC)cc3)CC2)n1 1868602623 DXJSVLIEQVPERQ-LJAQVGFWSA-N 543.712 4.407 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3cc(C)n(-c4ccccc4)n3)c3ccccc3)CC2)cc1 1868760186 INGRIHYMMULBBE-MUUNZHRXSA-N 509.610 4.009 10 10 KICE Cc1ccc(NC(=O)CN2C(=O)C(=C3SC(=S)N(C[C@H]4CCCO4)C3=O)c3ccccc32)c(C)c1 2296712146 BFJFNWZQTPRUPU-QGZVFWFLSA-N 507.637 4.039 10 10 KICE CCCCCCN1C(=O)C(=C2SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c2cc(Br)ccc21 2296714393 UWJXMQBBKJBXKV-CQSZACIVSA-N 543.530 4.135 10 10 KICE CC(C)(C)c1ccc(OCCOc2ccc(C=C3C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2)cc1 2297345130 UQTRTTPDDDPOMF-UHFFFAOYSA-N 526.640 4.063 10 10 KICE COc1cc(C=C2SC(=S)N(NC(=O)c3ccc(Cl)cc3Cl)C2=O)ccc1OCCC(=O)O 2314931347 FNWTZAPPZBATPG-UHFFFAOYSA-N 527.407 4.402 10 10 KICE CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccccc3F)C2=O)ccc1O[C@@H](CC)C(=O)O 2314935204 NPFJOQKSKFSMHB-INIZCTEOSA-N 504.561 4.013 10 10 KICE O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 17200642 UVJBWQKVSRWSDT-UHFFFAOYSA-N 508.555 4.466 10 10 KICE CCOCCCNc1nc2ccc(C)cn2c(=O)c1/C=C1/SC(=S)N(CCc2ccccc2)C1=O 33517467 MQOCFCGRLDOCPF-LTGZKZEYSA-N 508.669 4.285 10 10 KICE COCc1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(SCc2ccc(C(=O)NCC3CC3)cc2)n1 36053902 JMERBUAQUIDXEN-UHFFFAOYSA-N 533.698 4.390 10 10 KICE COc1cc(I)cc(/C=C2\C(=O)N(c3ccccc3F)C(=S)N=C2O)c1OC 59136240 MGGYMWLNOKZYCM-WQLSENKSSA-N 512.300 4.119 10 10 KICE COc1ccc(CN2C(=O)/C(=C\c3c(N4C[C@H](C)O[C@@H](C)C4)nc4ccc(C)cn4c3=O)SC2=S)cc1 100851122 JYXGYIAFLYDUJL-AIHKSIKWSA-N 536.679 4.027 10 10 KICE CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(\C)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1 205935250 OCEGCNCDGPDIFR-RCCKNPSSSA-N 519.612 4.304 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)cc3OC)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br 252671079 MQEPJGKVQPNGLB-HHHXNRCGSA-N 644.588 4.433 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c3ccccc3)CC2)cc1 1861916761 AWHMWGZNIRLCHH-DEOSSOPVSA-N 508.962 4.077 10 10 KICE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)N[C@@H]2CCCC[C@H]2C)[C@H]3c2ccc(O)c(O)c2)cc1 1864011480 IBDSZAAIGWMCOK-ZIYZLLSTSA-N 502.615 4.349 10 10 KICE CCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(OC)cc1)=C(N)O2 1864018569 OCUCPPRKOZJZMC-VWLOTQADSA-N 544.583 4.064 10 10 KICE CCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)c1ccc(OC)cc1)=C(N)O2 1864019964 SKONINBWWYHAMA-QYBDOPJKSA-N 540.620 4.486 10 10 KICE CCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)c1ccc3c(c1)CCCC3)=C(N)O2 1864022099 SVYKUKCGJWNCKL-GYCJOSAFSA-N 502.615 4.327 10 10 KICE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOc3ccccc31)=C(N)O2 1865028142 QJHBLVDWHSCJPI-DEOSSOPVSA-N 530.968 4.366 10 10 KICE CCN(CC)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1 1865031207 BMUYAFQMKFVKPK-SFHVURJKSA-N 502.493 4.174 10 10 KICE CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCCC[C@@H]1CCO)[C@@H]2c1ccc(O)c(O)c1 1865032087 VHUUYGCCJVIKKY-ZJSXRUAMSA-N 532.641 4.075 10 10 KICE CCN(CC)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1 1865033858 IYVOLUMGPPOGMX-IBGZPJMESA-N 516.520 4.233 10 10 KICE CCCc1nn(C)c2c1[C@H](c1cccc(Cl)c1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865094345 IRNGYKZLSBGWFT-QHCPKHFHSA-N 522.049 4.078 10 10 KICE CC[C@@H](NC(=O)c1c(C)cc(C)n(-c2ccccc2)c1=O)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867216897 UZCPQAVUCVIRQW-XMMPIXPASA-N 533.584 4.377 10 10 KICE CCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N([C@@H](C)CC)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867580687 WGAZLGSAOKNNQD-ZRKWFTTGSA-N 575.754 4.389 10 10 KICE CCC[C@H](NC(=O)[C@H](Cc1ccncc1)c1ccccc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868673136 JJEJDKOLDHPOJR-IZLXSDGUSA-N 500.643 4.050 10 10 KICE CCOc1cc(Br)c(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1OC 2313560836 IMEAXVFZOLUJAT-UHFFFAOYSA-N 524.165 4.285 10 10 KICE Cc1ccc2nc(NCCc3ccccc3)c(/C=C3/SC(=S)N(C[C@@H]4CCCO4)C3=O)c(=O)n2c1 33655683 FWANLGLTOJMXSC-ORTNRGLGSA-N 506.653 4.038 10 10 KICE COc1cc(/C=C2/C(=O)NC(=O)N(c3cccc4ccccc34)C2=O)cc(I)c1OC 108637030 LLJXROJGOOROKB-YBEGLDIGSA-N 528.302 4.128 10 10 KICE O=C(O)COc1ccccc1/C=C1\SC(=S)N(NC(=O)c2ccc(OCc3ccccc3)cc2)C1=O 210881172 QVEBOBSNEMXQBG-HMAPJEAMSA-N 520.588 4.275 10 10 KICE CCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2Cl)[C@H]1c1ccc(O)c(O)c1 1864015781 VBRRZIOQGARCQT-MRXNPFEDSA-N 508.884 4.177 10 10 KICE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CC)=C(N)O2 1865034633 AVCXHFFSXMNTGQ-OAQYLSRUSA-N 514.985 4.261 10 10 KICE CCCc1nn(C)c2c1[C@@H](c1cccc(Cl)c1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865094344 IRNGYKZLSBGWFT-HSZRJFAPSA-N 522.049 4.078 10 10 KICE CN(C)c1ccc([C@H](CNC(=O)c2c[nH]c3c(F)cc(Br)cc3c2=O)N2CCCCC2)cc1 1866442558 VJKTVAHJHUSTAM-QFIPXVFZSA-N 515.427 4.453 10 10 KICE O=C(N[C@@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1)c1ccc2oc(O)nc2c1 1867128343 GKRVSLDMHMZZLM-RUZDIDTESA-N 517.497 4.419 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)[C@@H](c3ccc(Br)cc3)C(C)C)CC2)cc1 1868847425 DGPYJYZFXQOVOW-FDDCHVKYSA-N 502.453 4.051 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCO[C@H](c5ccccc5)C4)nc(-c4cccnc4)n3)CC2)cc1 1869371347 HPJRPFVRRJDMTN-MHZLTWQESA-N 508.626 4.452 10 10 KICE COc1ccc(N2CCN(c3nc(=NCCC(C)C)nc(Nc4ccc(N5CCCC5)cc4)[nH]3)CC2)cc1 1871677307 KLUSKRNFHIPVFY-UHFFFAOYSA-N 516.694 4.431 10 10 KICE COc1cc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCN(C)C)C2=O)cc(OC)c1 1873421457 ZAXBLRNIOWAJNS-UHFFFAOYSA-N 502.615 4.255 10 10 KICE O=C1C(=Cc2c(N3CCSCC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccccc1Cl 2296554324 PPNWUIULLYGVLC-UHFFFAOYSA-N 515.085 4.303 10 10 KICE O=C(CN1C(=O)C(=C2SC(=S)N(CCc3ccccc3)C2=O)c2ccccc21)NCCc1ccccc1 2296714442 YXTZCHJIVATNHA-UHFFFAOYSA-N 527.671 4.206 10 10 KICE Cc1ccc2nc(N3C[C@@H](C)C[C@@H](C)C3)c(C=C3SC(=S)N(CCCCCC(=O)O)C3=O)c(=O)n2c1 2314400933 RQAMBMHBFDNICU-HDICACEKSA-N 528.700 4.331 10 10 KICE CCOCCCNc1nc2ccc(C)cn2c(=O)c1/C=C1/SC(=S)N(Cc2ccc(F)cc2)C1=O 33807235 YAQQLYNEXPNXNJ-DEDYPNTBSA-N 512.632 4.382 10 10 KICE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C)C2=O)c1 35447531 IOPFLXHXQZGTNV-QNGOZBTKSA-N 512.682 4.401 10 10 KICE Cc1cc(C(=O)COC(=O)CNS(=O)(=O)/C=C\c2ccccc2)c(C)n1-c1ccc(OC(F)F)cc1 97658389 UBQUARBUDBGAQA-SEYXRHQNSA-N 518.538 4.012 10 10 KICE CCN(CC)C(=O)COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)cc1 101745291 DUBRQIBPWNSUEP-CPNJWEJPSA-N 548.484 4.243 10 10 KICE O=C(CN1C(=O)/C(=C2/SC(=S)N(C[C@@H]3CCCO3)C2=O)c2ccccc21)Nc1cccc(C(F)(F)F)c1 102677978 VMQHYGYWHNLFQA-BZROSYFNSA-N 547.580 4.441 10 10 KICE Cc1ccc(/C=C2\SC(=S)N(CC(=O)N(Cc3ccc([C@@H]4C[C@@H]4C)o3)[C@H]3CCS(=O)(=O)C3)C2=O)cc1 256044984 XKTYEIZRQAHNLO-DWHVFHMYSA-N 544.720 4.129 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)/C=C/c3ccc(C)cc3)CC2)cc1 1861944620 YBILPNXNJPZBBH-GVUSLMEPSA-N 501.602 4.232 10 10 KICE Cc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccs1)=C(N)O2 1864008043 ARIDINHVYWFJBX-OAQYLSRUSA-N 508.987 4.318 10 10 KICE CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1F)=C(N)O2 1864010860 PRVRJPWMWXEVFS-DEOSSOPVSA-N 514.557 4.386 10 10 KICE CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1F)=C(N)O2 1864012824 KFKNSTUVBJZURK-RUZDIDTESA-N 528.584 4.445 10 10 KICE COC(=O)c1ccccc1N1C[C@H](C(=O)Nc2sc3c(c2C(=O)OC)CC[C@H](C(C)(C)C)C3)CC1=O 1865924357 RYLDDPUQGNYYOC-CVEARBPZSA-N 512.628 4.464 10 10 KICE CN(C)c1ccc([C@H](CNC(=O)[C@H](NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c2ccccc2)N2CCCCC2)cc1 1867694865 VCTAKDGWKRLGBJ-AJQTZOPKSA-N 668.260 4.241 10 10 KICE CSCC[C@H](NC(=O)c1ccc(F)c(F)c1F)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867812655 BLFSEJSWNMHHHU-GOTSBHOMSA-N 536.664 4.365 10 10 KICE CCCCCCOc1ccc(-n2cc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)c(O)cc2=O)cc1 1870130497 NRVKCQXEYIBFRW-UHFFFAOYSA-N 505.615 4.473 10 10 KICE CCOCCCn1cc(OCC(=O)OCCOC)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870903688 SBDISUJDNYETAW-UHFFFAOYSA-N 509.603 4.199 10 10 KICE COc1cc(C=C2SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 2296545478 UPLJYZMLRKLEOP-KRWDZBQOSA-N 500.554 4.203 10 10 KICE COc1cc(C=C2SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)cc(OC)c1OC 2296763998 VVTYNMFSWVZWEJ-UHFFFAOYSA-N 509.403 4.021 10 10 KICE Cc1c(N2C(=O)C(=Cc3c(N4C[C@H](C)C[C@@H](C)C4)nc4ccccn4c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C 2314414093 PHSRBAIZOJWDLY-RTBURBONSA-N 586.743 4.380 10 10 KICE O=C(NN1C(=O)C(=Cc2ccc(O)c(Br)c2)SC1=S)c1ccc(Br)cc1 2314764919 PCWAAHYIWROPOX-UHFFFAOYSA-N 514.220 4.463 10 10 KICE COc1ccc(N2CCN(C(=O)Cc3csc(SCC(=O)Nc4ccc(Cl)cc4)n3)CC2)cc1 8852269 OQNPIGWIOZCSFL-UHFFFAOYSA-N 517.076 4.427 10 10 KICE O=C1c2ccccc2-c2onc3c(N4CCN(c5ccccn5)CC4)cc(N4CCN(C(=O)c5ccco5)CC4)c1c23 29749467 LHJAHSIFYOSANV-UHFFFAOYSA-N 560.614 4.316 10 10 KICE CCn1c(N2C[C@H](C)O[C@@H](C)C2)c(/C=C2\SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)c(C)c(C#N)c1=O 137706433 DDDAKHNLPRIEBA-FVYAXXHLSA-N 582.748 4.123 10 10 KICE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC(C)C)=C(N)O2 1864009616 CGIJNGVVUTYCLD-JOCHJYFZSA-N 527.021 4.125 10 10 KICE C[C@H](NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccn2)[C@@H]1c1ccc(O)c(O)c1)c1ccccc1 1864021609 DGJVJLWROCDTMQ-XOBRGWDASA-N 537.498 4.269 10 10 KICE CCCC[C@@H](NC(=O)c1ccc(OC(C)=O)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867718531 FZOKVBAXBJIOBZ-IZLXSDGUSA-N 522.690 4.310 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)CCc4cccc(OC)c4)n(-c4ccccc4)n3)CC2)cc1 1869970013 LTJBZMYMJMBHPJ-UHFFFAOYSA-N 512.614 4.182 10 10 KICE COc1ccc(N2CCN(C(=O)c3cc4c(N5CCC[C@@H](C)C5)ncnc4n3Cc3ccco3)CC2)cc1 1873563685 JPSNBCMRYOCLQH-OAQYLSRUSA-N 514.630 4.280 10 10 KICE COc1ccc(NC(=O)CN2C(=O)C(=C3SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c3ccccc32)cc1 2296539282 LFKZEURPENWKKS-UHFFFAOYSA-N 611.705 4.254 10 10 KICE Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(N3CCN(Cc4ccccc4)CC3)nc12 2296703972 CUMFLWDMJVEMMC-UHFFFAOYSA-N 611.749 4.455 10 10 KICE C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C3SC(N4C[C@@H](C)O[C@H](C)C4)=NC3=O)c2)C[C@@H](C)O1 2314476619 RUSYVENEAPWPLL-ODAXIHTASA-N 621.785 4.417 10 10 KICE COc1ccccc1NC(=O)Cn1cc(C=C2SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 2326945245 YBNVDPPLRSDDCF-UHFFFAOYSA-N 509.609 4.355 10 10 KICE O=C1/C(=C\c2c(NC[C@@H]3CCCO3)nc3ccccn3c2=O)SC(=S)N1CCCc1ccccc1 33890617 HMXMTTCZJKRXIG-XSLGSPGOSA-N 506.653 4.119 10 10 KICE COc1cc(/C=C2\C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)ccc1OCc1ccccc1F 102469856 ASFOBXABGMGCGR-ZZHDOCBZSA-N 521.574 4.045 10 10 KICE CCOC(=O)c1c(NC(=O)C(=O)NCCN(CC)CC)sc(C)c1-c1ccc(Br)cc1 1860758197 GEILCBOUTUDWHC-UHFFFAOYSA-N 510.454 4.059 10 10 KICE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1ccc[nH]1 1865605124 AYACGTTXAGUUJY-RUZDIDTESA-N 538.652 4.340 10 10 KICE COCCOC(=O)COc1cn(Cc2ccccn2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870906982 XZHYDNDICKFXRJ-UHFFFAOYSA-N 514.582 4.216 10 10 KICE COc1ccc(C=C2C(=O)NC(=O)N(c3c(C)cc(C)cc3C)C2=O)cc1CN1C(=O)c2ccccc2C1=O 2296347525 NHJRWMDLLWCHDF-UHFFFAOYSA-N 523.545 4.083 10 10 KICE C[C@@H]1CCCCN1C(=O)Cn1cc(C=C2C(=O)N(C)c3ccc(S(=O)(=O)N4CCOCC4)cc32)c2cc(Br)ccc21 2297508998 HLGPSUIZBXRITH-HXUWFJFHSA-N 641.588 4.343 10 10 KICE NC(=O)C1CCN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(CCCCCCCCCCC(=O)O)C2=O)CC1 2314399962 FWLAEPISAZTGBA-UHFFFAOYSA-N 599.779 4.193 10 10 KICE CCCC[C@@H](CC)CN1C(=O)C(=Cc2c(N3CCC4(CC3)OCCO4)nc3ccccn3c2=O)SC1=S 2314433136 KGZPVXUDPVLTHA-LJQANCHMSA-N 542.727 4.455 10 10 KICE O=C(CCN1CCOCC1)NN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)SC1=S 2314488434 OFRBMDVUGOEVGI-UHFFFAOYSA-N 554.097 4.147 10 10 KICE COc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(C)c([N+](=O)[O-])c4)c3C)C(=O)NC2=S)c(OC)c1 59595841 GFCUQIBBUVIDJM-JAIQZWGSSA-N 520.567 4.159 10 10 KICE CCC1=NN2C(=N)/C(=C\c3cc([N+](=O)[O-])ccc3OCCOCCOc3ccccc3)C(=O)N=C2S1 102916726 JNRUMXFWXYSOSP-BACOSTCQSA-N 509.544 4.098 10 10 KICE O=C1/C(=C\c2ccccc2)SC(=S)N1CCCC(=O)N(Cc1ccc(N2CCCCC2)o1)[C@H]1CCS(=O)(=O)C1 207308087 DBNMHKIXVLOOIG-UWODKOOBSA-N 587.789 4.467 10 10 KICE CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(CNN5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C 675083837 ZCHNOMJUMZWNDC-WNDPDUOJSA-N 824.969 4.006 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](CSCc3ccccc3)NC(=O)c3ccccc3F)CC2)cc1 1862116216 FJVJUWAYPFQPNQ-SANMLTNESA-N 507.631 4.215 10 10 KICE CCCCOCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2Cc2ccccc2)[C@H]1c1ccc(O)c(O)c1 1864013076 POMOUENIBNGXBY-RUZDIDTESA-N 534.657 4.313 10 10 KICE CC[C@H](C)NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1 1864015289 OAEPGIIVPPEBHT-UGSOOPFHSA-N 502.493 4.220 10 10 KICE CC[C@H](CC(=O)N[C@@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(Br)ccc1OC 1867138567 RRAQNEKWCKMDBH-MWTRTKDXSA-N 579.447 4.233 10 10 KICE CCCC[C@H](NC(=O)c1ccc(OC)c(N2CCN(C)CC2)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867219775 LXJKFWSNDNGPCZ-SANMLTNESA-N 568.674 4.150 10 10 KICE CCC[C@H](NC(=O)CCC(=O)N1CCC[C@@H]1c1nc2ccccc2s1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868894232 KAICUHIZHWBWND-IZZNHLLZSA-N 577.751 4.382 10 10 KICE CCOCCOC(=O)COc1cn(CCCCCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871122094 WPHHXGAQTDRYLD-UHFFFAOYSA-N 523.630 4.325 10 10 KICE Cc1cc(C=C2C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)c(C)n1-c1ccc2c(c1)OCO2 2293168060 ORFLCKBQYNPZCU-UHFFFAOYSA-N 524.396 4.417 10 10 KICE COc1ccc(N2C(=O)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C(=O)NC2=S)cc1 2294229376 OFHWVZMLWAPKIE-UHFFFAOYSA-N 528.340 4.457 10 10 KICE Cc1cccn2c(=O)c(C=C3SC(=S)N(CCCCCC(=O)O)C3=O)c(N3CCN(c4ccc(F)cc4)CC3)nc12 2297455310 VFAYVPLPQHMXJU-UHFFFAOYSA-N 595.722 4.315 10 10 KICE CN1C(=O)C(=Cc2cn(CCOc3ccccc3F)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 2297508878 UUZYUAOMQXXEDT-UHFFFAOYSA-N 561.635 4.397 10 10 KICE COc1cc(C=C2C(=O)N(Cc3ccccc3F)N=C2c2ccccc2)ccc1OCCN1CCOCC1 2332105129 APLQXBAGVNKFCP-UHFFFAOYSA-N 515.585 4.375 10 10 KICE CC1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)[C@H]1C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1 32106548 SSEDEHZVBQTFEO-RUZDIDTESA-N 506.628 4.236 10 10 KICE CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 100689701 LUALQZHHEXBQBW-HRLSHZPLSA-N 553.684 4.400 10 10 KICE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C4CCCC4)C3=O)c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)nc12 100849922 OXCPANGXYFAXFB-PCLIKHOPSA-N 589.743 4.198 10 10 KICE COC(=O)c1ccccc1NC(=O)COc1ccc(/C=C2\C(=O)N(c3cccc(C(=O)O)c3)N=C2C)cc1OC 101570956 CWSLHLNONBMTBL-XKZIYDEJSA-N 543.532 4.004 10 10 KICE COc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)ccc1OCCSc1ccccc1 104563180 YXOKMINSWHGVNF-MRKXPFMVSA-N 544.680 4.266 10 10 KICE Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cccs1)=C(N)O2 1864008132 CVRPUXUTVOMXEG-JOCHJYFZSA-N 523.014 4.360 10 10 KICE COc1ccc([C@@H](C)NC(=O)C2=C(N)Oc3c(c(C)nn3Cc3ccc(F)cc3)[C@H]2c2ccc(O)c(O)c2)cc1 1864011952 NSXGDTAJYAHVQC-AKJBCIBTSA-N 544.583 4.371 10 10 KICE Cc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1)=C(N)O2 1864012405 ZGNUYUSGFBAEOU-XMMPIXPASA-N 516.985 4.315 10 10 KICE CN(C)c1ccc([C@H](NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2Cl)C3=O)c2nccn2C)cc1 1865898979 NCVOJAUXBSNMRR-DEOSSOPVSA-N 513.985 4.460 10 10 KICE Cc1nc2ccc(N3C[C@@H](C(=O)NC[C@H](c4ccc(N(C)C)cc4)N4CCCCC4)CC3=O)cc2s1 1866258746 HQSIYNJDSRGUAT-SQJMNOBHSA-N 505.688 4.367 10 10 KICE O=C(N[C@@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1)c1cc(-c2cccnc2)[nH]n1 1867159985 JLGZDUVXMXWYJY-HHHXNRCGSA-N 527.540 4.357 10 10 KICE CCCC[C@@H](NC(=O)c1ccc(N(C)C)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867890701 OBCGHMPFCYOCLJ-IZLXSDGUSA-N 507.723 4.451 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)c4cccc(Br)c4)n(C(C)(C)C)n3)CC2)cc1 1869970085 DZNVXYWJAFLDTJ-UHFFFAOYSA-N 513.440 4.383 10 10 KICE CCCCCCn1cc(OCC(=O)N(CC)CC)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870631772 RBGSVVDLVGBQBD-UHFFFAOYSA-N 512.695 4.007 10 10 KICE CCCN=c1nc(Nc2ccc(N3CCCCC3)cc2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871609147 XZZJWRMQXCFWAV-UHFFFAOYSA-N 502.667 4.185 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc4c(c3)OCCO4)C(=O)N(CCOC(C)C)C2=O)cc1 1873420745 VPJLIKOXNJXQSX-UHFFFAOYSA-N 501.583 4.482 10 10 KICE CCN(CC)CCN1C(=O)C(Nc2ccc(C(=O)OCCOC)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873425770 LBLOBYJMVZASOP-UHFFFAOYSA-N 558.679 4.431 10 10 KICE Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C=CC(=O)OCC(=O)c1cc(C)n(-c2ccccc2)c1C 2042441472 HPHHZBZRTUAJNJ-HXUWFJFHSA-N 516.019 4.051 10 10 KICE CCc1cccc2c(C=C3C(=O)N(CC)c4ccc(S(=O)(=O)N5CCOCC5)cc43)cn(CC(=O)NC3CCCC3)c12 2297508984 FUVAGQUINYWXLA-UHFFFAOYSA-N 590.746 4.191 10 10 KICE CCOC(=O)N1CCN(c2nc3ccc(C)cn3c(=O)c2C=C2SC(=S)N([C@@H](C)c3ccccc3)C2=O)CC1 2314399256 CRDPSNISBFIUHH-IBGZPJMESA-N 563.705 4.244 10 10 KICE COc1ccc(C=CC(=O)Nc2nc(N3CCN(c4ccc(OC)cc4)CC3)nn2-c2ccccc2)cc1 2331394471 LOESIXWLCOKNHS-UHFFFAOYSA-N 510.598 4.263 10 10 KICE Cc1ccc(OCCCOc2ccc(/C=C3\C(=N)N4N=C(CC(=O)N5CCCC5)SC4=NC3=O)cc2)cc1 103611054 PBEFHLIJZLUAIY-BJDNMCPZSA-N 531.638 4.475 10 10 KICE Cc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\Nc2c(C)nn(-c3ccc([N+](=O)[O-])cc3)c2C)C1=O 1083986194 QMTIYDDQIASWQQ-WOJGMQOQSA-N 539.346 4.047 10 10 KICE CCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(Br)cc2)[C@H]1c1ccc(O)c(O)c1 1864008059 AVFWMSWIKLLMQG-OAQYLSRUSA-N 527.419 4.355 10 10 KICE CCCn1nc(C)c2c1OC(N)=C(C(=O)N[C@H](C)C13CC4CC(CC(C4)C1)C3)[C@H]2c1ccc(O)c(O)c1 1864010076 OUKJSWNVHIBOJA-CRDZBFGHSA-N 506.647 4.428 10 10 KICE CCCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccc(OC)cc2)[C@@H]1c1ccc(O)c(O)c1 1864017645 QTWXPJIHPIRBGB-QHCPKHFHSA-N 506.603 4.246 10 10 KICE CCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(F)cc1)=C(N)O2 1864019547 LSIACYBGHZBVEI-VWLOTQADSA-N 528.584 4.098 10 10 KICE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4CC(C)C)[C@H]3c3ccccc3F)CC2)cc1 1865066536 UYQRTZQUXOJJHC-RUZDIDTESA-N 519.621 4.039 10 10 KICE CCCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N([C@@H](CC(C)C)C(=O)O)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867473988 ZWRSOTBBZVAECB-RWSKJCERSA-N 647.817 4.480 10 10 KICE CCC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867919762 GPUSZCZMGILZCS-LOYHVIPDSA-N 599.732 4.384 10 10 KICE CCOC(=O)[C@@H]1CCCN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(-c3ccccc3)n2)C1 1867972305 NLOYXFUICCRHCV-HSZRJFAPSA-N 501.631 4.258 10 10 KICE Cc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCNC(=O)[C@@H]2c2ccc(F)cc2)n1 1868481577 VYHTVCJJRQJOMF-SANMLTNESA-N 507.525 4.121 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)/C(C)=C/c3ccccc3)CC2)cc1 1868746046 BMOWCIFHZOHETK-CMYGGHSTSA-N 501.602 4.314 10 10 KICE COc1ccc(N2CCN(C(=O)c3ccc4nc(SCC(=O)Nc5ccccc5)[nH]c4c3)CC2)cc1 1872824918 LKSOTWJTDGMMAO-UHFFFAOYSA-N 501.612 4.265 10 10 KICE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1F 2296709487 ZUSODIYMQVIMBK-LJQANCHMSA-N 543.667 4.465 10 10 KICE O=C(CN1C(=O)/C(=C2/SC(=S)N(Cc3ccc(F)cc3)C2=O)c2ccccc21)NCCc1ccccc1 2533464 VNAMEFXPTNPYFM-OCOZRVBESA-N 531.634 4.303 10 10 KICE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3cn(CCOc4cccc(C)c4)c4ccccc34)C(=N)N21 96460241 RNUXJZNVZWPSCB-RDJYZGLESA-N 521.624 4.040 10 10 KICE Cc1ccc(OCCOc2ccc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)C(C)C)cc2)cc1C 104562647 UNRKXKGXMGAGEC-SMKDVUIYSA-N 526.640 4.161 10 10 KICE O=C1C[C@H](c2ccc(O)c(O)c2)Oc2c1c(O)cc(O)c2[C@@H]1C(=O)c2c(O)cc(O)cc2O[C@@H]1c1ccc(O)cc1 169316283 IMIXFUXOSFSXPC-SGNYCRIWSA-N 558.495 4.433 10 10 KICE endogenous,in-man CCCCOc1ccc(C(=O)N2CCC[C@@H]2C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1OCC 1862251634 YGTUQCQNARKRNK-RUZDIDTESA-N 509.647 4.226 10 10 KICE COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NC24CC5CC(CC(C5)C2)C4)[C@@H]3c2ccc(O)c(O)c2)cc1 1864007309 KGPOERDOVKCRLJ-STENCPGBSA-N 542.636 4.380 10 10 KICE Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC13CC4CC(CC(C4)C1)C3)=C(N)O2 1864007358 LFMLLLOLMCDLNG-GVQYYIBISA-N 512.610 4.372 10 10 KICE CC[C@H](C)NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1 1864015288 OAEPGIIVPPEBHT-SCLBCKFNSA-N 502.493 4.220 10 10 KICE CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cccs1)=C(N)O2 1864018007 AMZZGDGXSKZPHR-QHCPKHFHSA-N 534.613 4.159 10 10 KICE CCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOc1ccccc1)=C(N)O2 1864019749 QAWMWQZIXSEVMU-XMMPIXPASA-N 547.011 4.389 10 10 KICE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1C)=C(N)O2 1865029297 KBQCWNIAJXZKTD-MZNJEOGPSA-N 518.614 4.340 10 10 KICE CCOc1cc(C(=O)NCC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc(OCC)c1OCC 1867389925 HSJYYGYCQHBGGS-VWLOTQADSA-N 540.705 4.022 10 10 KICE CCC[C@@H](NC(=O)CCc1nc(-c2ccc(OC)cc2)cs1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868917942 VQXXGHRUYVHPPH-RUZDIDTESA-N 536.698 4.394 10 10 KICE Cc1cccc(OCCOc2ccc(C=C3C(=N)N4N=C(CC(=O)N5CCCCC5)SC4=NC3=O)cc2)c1 2296634304 URLMXWGNFLEICH-UHFFFAOYSA-N 531.638 4.475 10 10 KICE COCCCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(CCCc2ccccc2)C1=O 2297461653 WSEMDMMTGKXAMN-UHFFFAOYSA-N 508.669 4.285 10 10 KICE O=C1C(=Cc2c(N3CCN(c4ccc(F)cc4)CC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccco1 2297464309 VZBYCDZEWSBFOO-UHFFFAOYSA-N 547.637 4.155 10 10 KICE O=C1/C(=C\c2c(NC[C@H]3CCCO3)nc3ccccn3c2=O)SC(=S)N1Cc1ccccc1Cl 15228504 GAFVNVPSGMSNPI-PUMYGXPMSA-N 513.044 4.340 10 10 KICE O=C1/C(=C\c2c(N3CCN(c4ccccc4)CC3)nc3ccccn3c2=O)SC(=S)N1C1CCCC1 35241171 CKFJCHABXCCTFH-RELWKKBWSA-N 517.680 4.165 10 10 KICE O=C(NN1C(=O)/C(=C\c2ccc(OCC(=O)N3CCCCC3)cc2)SC1=S)c1cccc(Cl)c1 40940191 FWJFSAPMVCQROD-DEDYPNTBSA-N 516.044 4.278 10 10 KICE CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3Br)C2=O)ccc1OCCC(=O)O 59816254 HZNGILZJWAUVBG-LDADJPATSA-N 551.440 4.248 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)cc(Br)c3OC)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 1084386927 COHROQBPHOQVJP-JOCHJYFZSA-N 635.378 4.398 10 10 KICE CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1)=C(N)O2 1864013724 ZHNCYAXZIYNYLD-RUZDIDTESA-N 510.594 4.306 10 10 KICE Cc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1C)=C(N)O2 1865027575 ZILREDFYYVVHFC-CMJOXMDJSA-N 509.006 4.400 10 10 KICE C[C@H]1CCCN(C(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3Cc3ccccc3)[C@H]2c2ccc(O)c(O)c2)C1 1865033881 JQAXTECCTDVVAU-MGPUTAFESA-N 528.531 4.315 10 10 KICE CCOc1ccc([C@@H]2C(C(=O)N3CCN(c4ccc(OC)cc4)CC3)=C(N)Oc3c2c(C)nn3CC(C)C)cc1 1865275841 IFANMVJRVDWVAJ-MHZLTWQESA-N 545.684 4.298 10 10 KICE CN(C)c1ccc([C@H](CNC(=O)[C@H](CC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)N2CCCCC2)cc1 1866006708 DYMSJPKOMFFCSF-SVBPBHIXSA-N 552.716 4.423 10 10 KICE CC[C@H](NC(=O)c1cc(C)n(-c2cccc(C)c2)n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866846253 VLBGCSJZNOQAKX-QHCPKHFHSA-N 506.562 4.412 10 10 KICE Cc1cc2cc(CC(=O)NC(C)(C)C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)ccc2nc1O 1866915254 GJMMXOKQICWEEZ-UHFFFAOYSA-N 507.546 4.100 10 10 KICE COc1ccc(Cl)cc1NC(=O)c1cc(OC(C)=O)c2c(c1)C(=O)c1cccc(OC(C)=O)c1C2=O 1873940239 YMUANZSGZKVXIZ-UHFFFAOYSA-N 507.882 4.227 10 10 KICE CCOc1cc(/C=C2/SC(=S)N(CCCCCC(=O)OC)C2=O)ccc1OCC(=O)N(CC)CC 40928102 YNOWLEMCOKEVSA-LTGZKZEYSA-N 522.689 4.267 10 10 KICE COc1cc(/C=C2/SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c(Br)cc1O 101549659 KMHVPGRALVKQAV-VCHYOVAHSA-N 532.441 4.367 10 10 KICE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCCOc4cc(C)ccc4C)c(Cl)c3)C(=N)N21 104561641 KJZATWLCRCCNMW-JPXJQDSKSA-N 547.058 4.426 10 10 KICE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cccc(NC(=O)c2cc3ccccc3oc2=O)n1 1860562975 KUSOVOCIWCGKIZ-UHFFFAOYSA-N 515.481 4.468 10 10 KICE CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCC1)=C(N)O2 1864013539 YAFKZGCHNISRTP-QHCPKHFHSA-N 506.578 4.188 10 10 KICE CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCC(C)C)=C(N)O2 1864013759 ZYDMBSKEPGSIRU-QHCPKHFHSA-N 508.594 4.291 10 10 KICE NC1=C(C(=O)NC2CCCCC2)[C@@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3ccccc3)c2O1 1864015450 RMMQQZQNCSVTPN-IBGZPJMESA-N 514.504 4.446 10 10 KICE Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCc1ccccc1Cl)[C@H]2c1ccc(O)c(O)c1 1864016448 PHQSBGKWEZQDRU-NRFANRHFSA-N 502.958 4.163 10 10 KICE CCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)c1ccccc1)=C(N)O2 1864019616 NJWXKFGAYCMEIX-AVRWGWEMSA-N 510.594 4.477 10 10 KICE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C)C1)=C(N)O2 1865032795 KUJIOLBNMPXYTG-QRQCRPRQSA-N 509.006 4.452 10 10 KICE COc1ccc(N2CCN(C(=O)CN3C(=O)c4c(I)c(I)c(I)c(I)c4C3=O)CC2)cc1 1866308055 KQHIGMHOMPOVPT-UHFFFAOYSA-N 883.000 4.058 10 10 KICE CC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867911926 YYUSZBTYJVPYAQ-DNQXCXABSA-N 516.042 4.166 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)CCc3csc(-c4ccccc4)n3)C(C)C)CC2)cc1 1868900218 NUQBPYKQBZBIQY-AREMUKBSSA-N 506.672 4.241 10 10 KICE CCCCc1ccc(Nc2nc(=NCCCCCO)nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]2)cc1 1871501968 MWYQCZJDTUIQJX-UHFFFAOYSA-N 519.694 4.289 10 10 KICE CC1=NN(c2ccc(C)cc2C)C(=O)C1=CN1CCN(C=C2C(=O)N(c3ccc(C)cc3C)N=C2C)CC1 2297453410 YXQHRSFPAXBOKJ-UHFFFAOYSA-N 510.642 4.451 10 10 KICE CN1C(=O)C(=Cc2cn(Cc3ccccc3)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 2297509101 VXISDTKQSFGMDN-UHFFFAOYSA-N 513.619 4.228 10 10 KICE O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1cc(Br)c(O)c(Br)c1 2313510625 XJULBDYFQAVFDI-UHFFFAOYSA-N 500.530 4.237 10 10 KICE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc([N+](=O)[O-])c1O 2313556239 RZPBVZPAUHNEHW-UHFFFAOYSA-N 517.538 4.443 10 10 KICE CCOCCCN1C(=O)/C(=C/c2c(Oc3ccccc3OC)nc3c(C)cccn3c2=O)SC1=S 213203828 WGNKWRCXDXPWDK-HKWRFOASSA-N 511.625 4.432 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(COc4ccc(F)cc4F)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 254439143 LZFSHYSXRYHPDY-HHHXNRCGSA-N 579.625 4.315 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 1084301860 CQOKVFNKSPNKLU-MUUNZHRXSA-N 629.651 4.473 10 10 KICE CCCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC(C)C)=C(N)O2 1864013662 YPUBSWPVMOMFKR-XMMPIXPASA-N 538.620 4.060 10 10 KICE CCCCOCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1 1864020045 VANAUVJCSHZNLB-VWLOTQADSA-N 534.657 4.231 10 10 KICE CCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C)CC1)=C(N)O2 1865032352 ASTVIAYCYGYPLG-JOCHJYFZSA-N 509.006 4.452 10 10 KICE CC(=O)Oc1cccc(C(=O)N[C@H](C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c2ccccc2)c1 1867296593 PNQNBFPFKAMXQJ-IHLOFXLRSA-N 542.680 4.492 10 10 KICE COc1ccc(C(=O)N[C@@H](Cc2ccc(OC(C)=O)cc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1OC 1867305082 PHTPUCHXSBWDDR-IOWSJCHKSA-N 616.759 4.380 10 10 KICE CCC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(CC(C)C)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867420621 SEYRXUQQGLJQEW-WDYNHAJCSA-N 575.754 4.247 10 10 KICE CCCOc1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCNC(C)=O)C2=O)c1 1873422491 ZXYNNDVRLOXQIN-UHFFFAOYSA-N 500.599 4.211 10 10 KICE CCCCOCCCNC(=O)c1cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc2n1CCC 1873573701 YMMRDNFJTSHSNF-UHFFFAOYSA-N 508.667 4.113 10 10 KICE Cc1ccc2nc(NCCc3ccccc3)c(C=C3SC(=S)N(C[C@@H]4CCCO4)C3=O)c(=O)n2c1 2296697738 FWANLGLTOJMXSC-IBGZPJMESA-N 506.653 4.038 10 10 KICE CCCCNc1nc2ccc(C)cn2c(=O)c1/C=C1/SC(=S)N(c2c(C)n(C)n(-c3ccccc3)c2=O)C1=O 100885996 RGWNUCKDGCNGFR-RCCKNPSSSA-N 560.705 4.419 10 10 KICE Cc1cc(OCCCOc2ccc(/C=C3\C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2)ccc1Cl 101397678 WYIDZVIFRSWQEC-RBRHTRMMSA-N 533.031 4.118 10 10 KICE COc1cccc([C@H]2N[C@](Cc3c[nH]c4ccccc34)(C(=O)O)[C@@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)[C@@H]23)c1O 104879983 QIPGJHDVDQKEKK-HZTMJRFTSA-N 579.531 4.417 10 10 KICE CCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1F)=C(N)O2 1864018237 GKVNECLKBWSVDT-XMMPIXPASA-N 532.547 4.194 10 10 KICE O=C(C[C@@H](c1ccccc1)c1cccc(F)c1)N[C@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866772450 NSFPWXHRARHVBA-AHKZPQOWSA-N 536.559 4.239 10 10 KICE COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCS[C@@H](c3ccc(OC)cc3)C2)n1 1869115201 GRCSUEUWNOQUFJ-AREMUKBSSA-N 535.714 4.304 10 10 KICE CCOc1cn(C[C@H](c2ccccc2)N2CCCC2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870367613 ZVLDWWKEGIADSY-GDLZYMKVSA-N 516.686 4.415 10 10 KICE Cc1cccn2c(=O)c(C=C3SC(=S)N(CC(C)C)C3=O)c(N3CCN(c4ccccc4)CC3)nc12 2296348665 IBJMBQOCIIQAOY-UHFFFAOYSA-N 519.696 4.187 10 10 KICE CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OCCOc4ccc(C)cc4C)c(Cl)c3)C(=N)N21 2297345744 XSBHHMXDGSOUSR-UHFFFAOYSA-N 547.058 4.426 10 10 KICE CCOc1cc(C=C2SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)ccc1O[C@@H](C)C(=O)O 2314935892 SOQVEKVCLGPRTP-LBPRGKRZSA-N 506.989 4.137 10 10 KICE COc1ccc(N2CCN(c3nc(SCc4cccc(C(=O)N5CCOCC5)c4)nc(C)c3C)CC2)cc1 36064117 SCGYPYMZKJTCGM-UHFFFAOYSA-N 533.698 4.193 10 10 KICE CCN(CC)c1ccc(C=c2sc3n(c2=O)[C@@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OCC(C)C)=C(C)N=3)cc1 254762962 UBQLZSZQWMMZDX-LJAQVGFWSA-N 591.730 4.215 10 10 KICE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOc1ccccc1)=C(N)O2 1864007725 SRCBAZCFJRMBDY-XMMPIXPASA-N 532.984 4.135 10 10 KICE Cc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCC1=CCCCC1)=C(N)O2 1864012081 QNMGFTPRDRRLDT-VWLOTQADSA-N 518.589 4.491 10 10 KICE CCCCOCCCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2CC)[C@H]1c1ccc(O)c(O)c1 1864017438 MLLJXUZOGLWPGW-HSZRJFAPSA-N 536.629 4.007 10 10 KICE C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867738878 KJBUOEFQBRTDDK-RBISFHTESA-N 604.217 4.042 10 10 KICE CN(C)c1ccc([C@@H](CNC(=O)C(C)(C)NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])N2CCCCC2)cc1 1867877812 FVZBDZULWKYGGW-HSZRJFAPSA-N 516.042 4.166 10 10 KICE COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2C[C@H](C)Cc3cc(OC)ccc32)n1 1869114846 OLZQATODDPPRDZ-OAQYLSRUSA-N 503.647 4.340 10 10 KICE COC(=O)c1ccc(CN2C(=O)C(NCc3ccncc3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873164065 KMGVPYXGWXNYCN-UHFFFAOYSA-N 520.589 4.346 10 10 KICE COCCOC(=O)c1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCCN(C)C)C2=O)cc1 1873425400 WZIGWLLYKHGGDS-UHFFFAOYSA-N 558.679 4.431 10 10 KICE O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc(Cl)c(CN2C(=O)c3ccccc3C2=O)c1 2297453766 ZOUNHZKYWFQBES-UHFFFAOYSA-N 535.343 4.368 10 10 KICE COc1cc(/C=C2\C(=O)N(c3cccc(C(=O)O)c3)N=C2C)c(Br)c(Br)c1O 13914911 XYTFISFUQOCNLV-QPEQYQDCSA-N 510.138 4.430 10 10 KICE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCc4ccc(C)cc4)c(Cl)c3)C(=N)N21 96460533 FPNAFTIXQXZCIF-QEEMYTIHSA-N 503.005 4.239 10 10 KICE CCOc1ccc(-n2c(C)cc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)CC(C)C)c2C)cc1 96460792 DUCPYJOXDPQXGJ-JXOFPYFMSA-N 513.645 4.140 10 10 KICE COc1ccccc1OCCOc1c(I)cc(/C=C2/SC(=S)NC2=O)cc1OC 100324172 BTPAGDPGTIFXKL-GZTJUZNOSA-N 543.404 4.255 10 10 KICE Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CCN3C(=O)/C(=C\c4ccccc4)SC3=S)cc2)n1 103324344 IXTMVKZKJWMMSC-RCCKNPSSSA-N 553.691 4.124 10 10 KICE CCN(CC)CCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(Cl)cc2)[C@H]1c1ccc(O)c(O)c1 1864007385 LSNNFOISUWCFKO-XMMPIXPASA-N 540.064 4.178 10 10 KICE Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccn1)=C(N)O2 1864007940 XVAIMFKABSBCST-JOCHJYFZSA-N 538.391 4.305 10 10 KICE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCC(C)C)=C(N)O2 1864018412 KRVAWGPLIMATHC-NRFANRHFSA-N 514.985 4.164 10 10 KICE COc1cccc(C(=O)N[C@H](Cc2ccccc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867385158 YNDPQZXVPPMRFP-IHLOFXLRSA-N 528.697 4.446 10 10 KICE COc1ccc(-c2nc(CC(=O)N[C@H](Cc3ccccc3)C(=O)N3CCN(c4ccc(OC)cc4)CC3)c(C)o2)cc1 1868655893 DLEKZHLTKOLJQK-SSEXGKCCSA-N 568.674 4.286 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)CCc3csc(-c4ccccn4)n3)CC2)cc1 1868900705 AWHRTAHLATUSPP-MUUNZHRXSA-N 573.694 4.362 10 10 KICE COc1ccc(N2CCN(Cc3cc(=O)c(OCCCc4ccccc4)cn3C[C@@H]3CCCO3)CC2)cc1 1870689235 ZXAWHDWZDKTLET-LJAQVGFWSA-N 517.670 4.370 10 10 KICE O=C(CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)NC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 1873964347 XTIMIWPJMHISCC-UBCPGOQUSA-N 508.622 4.164 10 10 KICE CCOC(=O)CCCN1C(=O)C(=Cc2ccc(OCC(=O)N3CCCCC3)c(OCC)c2)SC1=S 2314761443 SUJYQFLWKGTUPT-UHFFFAOYSA-N 520.673 4.021 10 10 KICE CCCn1c(NCc2ccccc2)c(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c(C)c(C#N)c1=O 40066777 DNAIUZZGGAFBIA-UUMRFZBWSA-N 508.669 4.431 10 10 KICE CCCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCC)cc3)C2=O)cc1OC 100182886 QJOYPAIFFMKKBH-GZTJUZNOSA-N 550.349 4.154 10 10 KICE O=C1/C(=C/c2ccc(F)cc2)SC(=S)N1CC(=O)N(Cc1c(F)cccc1Cl)[C@H]1CCS(=O)(=O)C1 101283083 VRUQSWQJGAGHFU-OBLBUWMUSA-N 557.065 4.035 10 10 KICE Cc1ccc2nc(NCc3ccco3)c(/C=C3\SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(=O)n2c1 110074774 MYWAYVHHXGCLAN-HMAPJEAMSA-N 584.683 4.412 10 10 KICE CC(C)(C)C(=O)OC[C@@H]1O[C@@H](N=[N+]=[N-])[C@@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C 616626261 ZRIINKFKQWXADE-OBVSXPTNSA-N 541.642 4.485 10 10 KICE CCOCCOC(=O)[C@H](CC)n1cc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 1860826746 LOQMWRXWNHYFRN-OFBHVFLISA-N 504.630 4.238 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](CSCc3ccccc3)NC(=O)/C=C/c3ccco3)CC2)cc1 1862275278 DZVTYRUXLPOKAQ-JBXKERDYSA-N 505.640 4.068 10 10 KICE CCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2c(F)cccc2Cl)[C@@H]1c1ccc(O)c(O)c1 1864010066 ONJPSTFMCUWFCU-NRFANRHFSA-N 500.958 4.054 10 10 KICE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCC(C)C)=C(N)O2 1864012582 DLSMPAXWRZDRNL-HSZRJFAPSA-N 508.594 4.291 10 10 KICE CCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(F)c2)[C@H]1c1ccc(O)c(O)c1 1864016324 MKILBUXZDRKCLB-HSZRJFAPSA-N 514.557 4.370 10 10 KICE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)cccc21 1866863517 XEDSVBNNRYHFTG-LYZGTLIUSA-N 575.596 4.320 10 10 KICE CC[C@@H](NC(=O)CCc1csc(-c2ccccn2)n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867058091 WQAUXYIMOVYYRZ-OAQYLSRUSA-N 524.602 4.447 10 10 KICE O=C(N[C@@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1)c1cc(-c2ccncc2)[nH]n1 1867160821 FTFSIMSGTBUIBY-HHHXNRCGSA-N 527.540 4.357 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)CCCc3ccc(OC)c(OC)c3)CC2)cc1 1868727071 NVPJPILZJFGEQQ-MUUNZHRXSA-N 545.680 4.111 10 10 KICE COC(=O)C1CCC(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(Cc3cccnc3)C2=O)CC1 1873170582 GJGXXDVEMIBDQV-UHFFFAOYSA-N 526.637 4.338 10 10 KICE CCOC(=O)c1c(C(F)(F)F)nn([C@@H](c2ccc(OC)cc2O)C2CC2)c1I 2079858322 OEZYAXZWSVDNNS-CQSZACIVSA-N 510.250 4.397 10 10 KICE Cc1cccc(OCCOc2ccc(C=C3C(=N)N4N=C(CC(=O)N5CCCC5)SC4=NC3=O)cc2)c1 2296643184 LCWCIVYJVRTHPQ-UHFFFAOYSA-N 517.611 4.084 10 10 KICE COc1ccc(NC(=O)Cn2cc(C=C3SC(=S)N(CCCC(=O)O)C3=O)c3ccccc32)cc1 2326945234 UJAJRULRWJIUEX-UHFFFAOYSA-N 509.609 4.355 10 10 KICE CC[C@@H](C)N1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2NCc2ccc3c(c2)OCO3)SC1=S 40066464 JXHIHYDEXUXPEW-YYLUKMIBSA-N 510.641 4.389 10 10 KICE CCCCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1OC 103253520 ANTXHJKQHYHQFI-GZTJUZNOSA-N 534.350 4.454 10 10 KICE CC1=NN(c2ccc(NC(=O)c3ccc(N)c(C)c3)cc2)C(=O)[C@H]1/N=N/c1cc(S(=O)(=O)O)cc(Cl)c1O 111898967 OFGPRXSOMRKYQS-GHFCYRQVSA-N 556.988 4.310 10 10 KICE CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(C(C)(C)C)cc3)C2=O)ccc1OCC(=O)O 210459389 NQFOEFAPPHADHY-MOSHPQCFSA-N 514.625 4.392 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@H]1c1ccc(F)cc1 254295240 MTDKLOZOPGSNNU-SANMLTNESA-N 533.600 4.484 10 10 KICE CCCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2ccc(F)cc2)[C@@H]1c1ccc(O)c(O)c1 1864018545 NKAXIZBQTDVKHR-QHCPKHFHSA-N 508.594 4.435 10 10 KICE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)N2CCC[C@H](C)C2)[C@@H]3c2ccc(O)c(O)c2)c1 1865027779 KYYDBPKADKKYFF-SSOJOUAXSA-N 502.615 4.221 10 10 KICE CCC[C@@H](NC(=O)[C@H](Cc1ccncc1)c1ccccc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868673138 JJEJDKOLDHPOJR-VSGBNLITSA-N 500.643 4.050 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3nc4ccccc4[nH]3)C(=O)N(Cc3ccccn3)C2=O)cc1 1873169849 YWJMNMPBAZKNFH-UHFFFAOYSA-N 516.605 4.478 10 10 KICE Cc1c(Br)ccc(N2C(=O)NC(=O)C(=Cc3cccc(I)c3)C2=O)c1C 2313548511 WVFVRGLPKLMAEY-UHFFFAOYSA-N 525.140 4.337 10 10 KICE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OC 2313560800 HGLDMULLJOKANC-UHFFFAOYSA-N 524.165 4.285 10 10 KICE CCCOc1ccc(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1862062633 LTNGKWCUQGGRJW-MUUNZHRXSA-N 519.617 4.313 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)CCCOc3ccccc3C)c3ccccc3)CC2)cc1 1862231268 TVOONPSWYOODST-GDLZYMKVSA-N 501.627 4.369 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)c3cccc(OCC(C)C)c3)CC2)cc1 1862256183 XBYSETFGYPFHQK-LJAQVGFWSA-N 515.654 4.420 10 10 KICE Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1)=C(N)O2 1864009679 KEVWWFRYFCZXEX-XMMPIXPASA-N 534.975 4.455 10 10 KICE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)C[C@@H](C)C1)=C(N)O2 1865029570 QMBOLNJVUNQVKU-GAKIBJFNSA-N 532.641 4.444 10 10 KICE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@@H](NC(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)c3ccccc3)cccc21 1866871100 TZWZUUYASDFEEV-PBBNMVCDSA-N 543.579 4.311 10 10 KICE CCOC(=O)Oc1ccc(C(=O)N[C@H](CC)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867299854 UTXQDNCACXWAPJ-CLJLJLNGSA-N 524.662 4.140 10 10 KICE CCCC[C@@H](NC(=O)Cc1nc(-c2cccc(OC)c2)oc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868654237 UGJGZGQXIJWEGO-AREMUKBSSA-N 534.657 4.234 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)C[C@H](c3ccccc3)C3CC3)CC2)cc1 1868681006 BAQGZKBCEHKORC-LOYHVIPDSA-N 527.665 4.361 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)c4ccnc(Cl)c4)n(-c4ccc(C)cc4)n3)CC2)cc1 1869969676 IOXIUMQZGCZOTM-UHFFFAOYSA-N 503.994 4.212 10 10 KICE COc1ccccc1NC(=O)COc1ccc(C=C2SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1 2293512362 RBJPROBVHLBCFB-UHFFFAOYSA-N 519.604 4.259 10 10 KICE Cc1cccn2c(=O)c(C=C3SC(=S)N(C[C@H]4CCCO4)C3=O)c(N3CCN(c4cccc(Cl)c4)CC3)nc12 2297453439 GVVLWNDSOMFLEK-OAQYLSRUSA-N 582.151 4.363 10 10 KICE COc1ccc(CCNC(=O)C2=C(N)Oc3c(c(C)nn3-c3ccc(Cl)cc3)[C@H]2c2ccc(O)c(O)c2)cc1 1864007574 PTUMYUYHMMVPDL-RUZDIDTESA-N 547.011 4.307 10 10 KICE Cc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccccc1)=C(N)O2 1864012036 PSCBMVCWTVRDOM-RUZDIDTESA-N 531.012 4.358 10 10 KICE Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)NC2CCCC2)[C@@H]3c2ccc(O)c(O)c2)cc1 1864015157 KJLKTCFQEFIZOC-HXUWFJFHSA-N 528.531 4.423 10 10 KICE C[C@H]1CCCN(C(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3-c3ccccc3)[C@H]2c2ccc(O)c(O)c2)C1 1865031943 RVRSYHRJVNCEQW-IFXJQAMLSA-N 514.504 4.255 10 10 KICE NC1=C(C(=O)N2CCCCCC2)[C@@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(Cc3ccccc3)c2O1 1865033704 GUZPJWBSQZAGLA-FQEVSTJZSA-N 528.531 4.459 10 10 KICE CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(CC)nn2-c2cccc3ccccc23)[C@@H]1c1ccc(O)c(O)c1 1865038129 UYMMWLDWHROAIE-SANMLTNESA-N 542.636 4.315 10 10 KICE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4-c4ccccc4)[C@@H]3c3ccc(F)cc3)CC2)cc1 1865513663 NRMBWAIXOAVOCJ-MHZLTWQESA-N 539.611 4.372 10 10 KICE CCCN(CCC)C(=O)COc1ccc(/C=C2\C(=O)N(c3ccccn3)N=C2C(F)(F)F)cc1OC 1865675745 XVJIKBRPDMZBIE-JXAWBTAJSA-N 504.509 4.466 10 10 KICE CCOC(=O)Oc1ccc(C(=O)N[C@@H](CCSC)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867303809 QKRBQHOIVNTTSY-SVBPBHIXSA-N 570.756 4.483 10 10 KICE COc1ccc(N2CCN(c3nc(=NCCc4ccc(F)cc4)nc(Nc4ccc(F)cc4)[nH]3)CC2)cc1 1871517265 LWZRFFRVJOUMMZ-UHFFFAOYSA-N 517.584 4.305 10 10 KICE CC[C@@H](C)OC(=O)c1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCNC(C)=O)C2=O)cc1 1873422158 IXZNEHLMWONICR-OAQYLSRUSA-N 542.636 4.378 10 10 KICE COc1ccccc1OCCCOc1ccc(C=C2C(=N)N3C(SC)=NSC3=NC2=O)cc1OC 2297341076 QYKIFJGYHVPKTP-UHFFFAOYSA-N 512.613 4.491 10 10 KICE CC(C)CS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(-c4ccc(Br)cc4)o3)C(=N)N21 2297345656 PSABHIIFJUSIHX-UHFFFAOYSA-N 521.418 4.357 10 10 KICE CCOC(=O)c1c(COc2ccccc2)n(C)c2cc(Br)c(O)c(CN3CCOCC3)c12 34406829 LSQZONKCLLREJT-UHFFFAOYSA-N 503.393 4.234 10 10 KICE COc1ccccc1OCCCOc1ccc(/C=C2\C(=N)N3C(SC)=NSC3=NC2=O)cc1OC 96450573 QYKIFJGYHVPKTP-AGDGNBHRSA-N 512.613 4.491 10 10 KICE COc1ccccc1OCCOc1ccc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)cc1OC 100666620 QGZQTDDHPXMPHD-IUKUERCASA-N 520.489 4.343 10 10 KICE Cc1c(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c(NCc2ccc3c(c2)OCO3)n(C)c(=O)c1C#N 143276371 SGBLDZDDGNQKJS-KSEXSDGBSA-N 530.631 4.308 10 10 KICE CCN(CC)c1ccc([C@H]2C(c3ccc(OC)cc3)=C(O)C(=O)N2c2ccc(S(=O)(=O)NC(C)=O)cc2)cc1 526138813 DESNGOIJMFHAOC-MHZLTWQESA-N 549.649 4.423 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)cc3O)c(=O)n2[C@H]1c1ccc(SC)cc1 1084515649 DWMCIUUMRAXDEB-VWLOTQADSA-N 537.707 4.072 10 10 KICE CC[C@@](C)(NC(=O)/C=C/c1ccc(Br)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861951134 TVLMXHZVXSEELN-MKZVKBBESA-N 500.437 4.105 10 10 KICE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1cccs1)[C@H]2c1ccc(O)c(O)c1 1864023322 YBRIYELHWCHKJH-INIZCTEOSA-N 508.522 4.042 10 10 KICE CCCN(CCC(=O)OCC)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2CCC)[C@@H]1c1ccc(O)c(O)c1 1865031564 JWRHXZJEUIBAKU-DEOSSOPVSA-N 548.640 4.258 10 10 KICE CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CCc1ccncc1)=C(N)O2 1865032768 KDCMLJYNMRDRQD-AREMUKBSSA-N 539.636 4.335 10 10 KICE NC1=C(C(=O)N2CCCc3ccccc32)[C@@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3ccccn3)c2O1 1865034064 OELFMIPDIKWQRX-NRFANRHFSA-N 549.509 4.371 10 10 KICE CSCC[C@@H](NC(=O)c1cc(C2CC2)n2nc(C)cc2n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867171344 QWNOVSKUTCAKDH-JOCHJYFZSA-N 553.644 4.181 10 10 KICE CN(C)c1ccc([C@@H](CNC(=O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2Cl)C3=O)N2CCCCC2)cc1 1867586250 GQVKJAUKGLVMNX-MUUNZHRXSA-N 588.108 4.280 10 10 KICE COc1ccc(-c2csc(CCC(=O)N[C@@H](CCSC)C(=O)N3CCN(c4ccc(OC)cc4)CC3)n2)cc1 1868914546 SRWQEUDVKJNTIP-VWLOTQADSA-N 568.765 4.347 10 10 KICE COc1ccc(OCCCOc2ccc(S(=O)(=O)N3CCN(c4ccc(OC)cc4)CC3)cc2)cc1 1872725356 FNSPBPNCXYHAQA-UHFFFAOYSA-N 512.628 4.063 10 10 KICE COC(=O)C1CCC(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCn3ccnc3)C2=O)CC1 1873170847 TYTSFUCJWWLPGX-UHFFFAOYSA-N 543.668 4.030 10 10 KICE COc1cc(C=C2SC(=S)N([C@H](C(=O)O)c3ccccc3)C2=O)ccc1OCC(=O)N1CCCCC1 2314769945 XFSYTLXCBHOPCC-QHCPKHFHSA-N 526.636 4.114 10 10 KICE O=C(/C=C/c1ccccc1)N(C(=O)/C=C/c1ccccc1)S(=O)(=O)c1ccc(/N=N/N2CCOCC2)cc1 866399 PANWASRJJZJYOS-ZTQSUZROSA-N 530.606 4.488 10 10 KICE Cc1ccc(-n2[nH]c(C)c(C3(c4c(C)[nH]n(-c5ccc(C)cc5)c4=O)C(=O)c4ccccc4C3=O)c2=O)cc1 8396578 DUEHVZOYDMYVSU-UHFFFAOYSA-N 518.573 4.244 10 10 KICE NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)/C(=C\c3c4ccccc4cc4ccccc34)SC2=S)cc1 210679305 NNTRKAHPZSLQLT-OEAKJJBVSA-N 533.656 4.480 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 1083955331 MVRNHBSHZFZHEM-LJAQVGFWSA-N 598.681 4.352 10 10 KICE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCOc1cc(C)cc(C)c1)[C@H]2c1ccc(O)c(O)c1 1864016195 JITXOEXGYUFLER-VWLOTQADSA-N 540.620 4.488 10 10 KICE CCCCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccn2)[C@H]1c1ccc(O)c(O)c1 1864022249 LCFXGJLVPZJCLU-GOSISDBHSA-N 517.508 4.088 10 10 KICE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C)C1)=C(N)O2 1865033087 RMHVQIGPYKZHQS-IQGLISFBSA-N 516.642 4.475 10 10 KICE CC[C@@H](NC(=O)CCc1csc(-c2ccncc2)n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867062297 DZBHDAGNUNPCFF-JOCHJYFZSA-N 524.602 4.447 10 10 KICE CC(C)c1cc2cc(CC(=O)NCC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)ccc2nc1O 1868148393 SLMRLFBBTYYJMH-UHFFFAOYSA-N 507.546 4.137 10 10 KICE COc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc(Cl)c1OCc1ccccc1Cl 2297345095 QEMLGRQCPDXSHC-UHFFFAOYSA-N 539.422 4.202 10 10 KICE CCN1C(=O)C(=Cc2cc(C)n(-c3ccc(OC)cc3)c2C)c2cc(S(=O)(=O)N3CCOCC3)ccc21 2297509092 VCXNCQYEZKMKOC-UHFFFAOYSA-N 521.639 4.031 10 10 KICE O=C1/C(=C\c2c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)nc3ccccn3c2=O)SC(=S)N1C1CCCCC1 100849836 QLWQZJUOUAOFCW-KOEQRZSOSA-N 589.743 4.279 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3cc([N+](=O)[O-])ccc3Cl)c3ccccc3)CC2)cc1 1862297534 KDUQKFLKVUMOAN-DEOSSOPVSA-N 508.962 4.077 10 10 KICE CCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2-c2ccc(Br)cc2)[C@H]1c1ccc(O)c(O)c1 1864011430 UKVLBZZDAAGDFD-HXUWFJFHSA-N 527.419 4.219 10 10 KICE CCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCc1ccccc1)=C(N)O2 1864017599 PRDZFRYTUKDWCE-SANMLTNESA-N 540.620 4.298 10 10 KICE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCC1)=C(N)O2 1864018998 UBFISSVTPRPIIW-JOCHJYFZSA-N 526.996 4.451 10 10 KICE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(-c5ccccc5)nn4C)[C@@H]3c3cccc(F)c3)CC2)cc1 1865547617 MYANWJGEDWHJDE-VWLOTQADSA-N 539.611 4.278 10 10 KICE CC(C)N1C(=O)c2ccc(C(=O)N[C@H](Cc3ccc(O)cc3)C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O 1867431863 DAKZMLDITGDTDS-ZWXJPIIXSA-N 625.770 4.147 10 10 KICE COc1ccc(C=C2SC(=S)N(CCC(=O)N(Cc3ccc(Cl)cc3)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 2296851835 XQJHKYRIELVDEX-HXUWFJFHSA-N 565.138 4.156 10 10 KICE Cc1ccc2nc(NC[C@@H](O)c3ccccc3)c(C=C3SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(=O)n2c1 2314475747 BJRJCSKEPWCENM-XMMPIXPASA-N 624.748 4.352 10 10 KICE COc1cc(C=C2SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)N1CCCCC1 2314765116 VCAKKIQPHIPLQP-UHFFFAOYSA-N 546.070 4.286 10 10 KICE CCCOC(=O)CCCN1C(=O)/C(=C\c2ccc(OCC(=O)N3CCCCC3)c(OC)c2)SC1=S 40939005 RAMSOAYYUCQHBL-LTGZKZEYSA-N 520.673 4.021 10 10 KICE CCOC(=O)c1c(NC(=O)C(=O)NC2CCN(C(=O)OCC)CC2)sc(C)c1-c1ccc(Br)cc1 1860759364 YRTXHHJMIDHIPR-UHFFFAOYSA-N 566.474 4.338 10 10 KICE COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NC2CCCCCC2)[C@@H]3c2ccc(O)c(O)c2)cc1 1864007851 WFVSTWVPYLRNNN-XMMPIXPASA-N 504.587 4.134 10 10 KICE Cc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C(=O)NCCCCCO)[C@@H]3c2ccc(O)c(O)c2)cc1 1864014450 VHRHBGAPYNAHDX-RUZDIDTESA-N 540.620 4.232 10 10 KICE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)NC(C)C)=C(N)O3)cc1 1864017187 HPNCFXKUJTVASN-XMMPIXPASA-N 544.583 4.377 10 10 KICE CC[C@@H](C)NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2F)[C@H]1c1ccc(O)c(O)c1 1864021760 GGDIXQUMQNLFMG-KZULUSFZSA-N 520.483 4.110 10 10 KICE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)N2CCCCCC2)[C@H]3c2ccc(O)c(O)c2)cc1 1865031436 GVIJQEMSMGUABP-FQEVSTJZSA-N 544.530 4.408 10 10 KICE CCCC[C@@H](NC(=O)c1cc(OC)cc(OC)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867390312 BLYAHBBHZXSRMK-VSGBNLITSA-N 524.706 4.402 10 10 KICE COCCOC(=O)COc1cn(Cc2cccnc2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870904433 NRBURJFCCRAWGH-UHFFFAOYSA-N 514.582 4.216 10 10 KICE COc1ccc(OCCNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(Cc3ccncc3)C2=O)cc1 1873165364 LFHARUMYMHOJNZ-UHFFFAOYSA-N 522.605 4.446 10 10 KICE CCOCCCN1C(=O)C(=Cc2c(N3C[C@@H](C)C[C@H](C)C3)nc3c(C)cccn3c2=O)SC1=S 2296540778 RPLZPJKRIIZKMS-IRXDYDNUSA-N 500.690 4.113 10 10 KICE CCOc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC)ccc1O[C@@H](C)c1ccccc1 2297345446 XFFJJBCNRCARKV-HNNXBMFYSA-N 512.613 4.237 10 10 KICE N=C1/C(=C\c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)C(=O)N=C2SC(CC(=O)N3CCCC3)=NN12 103567847 QXZXTTTXPUXCNG-KAGZEXGGSA-N 521.986 4.191 10 10 KICE CC(C)COc1cccc(C2=C(O)C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@@H]2c2ccc(N(C)C)cc2)c1 526312801 XFFJULAUQPPQGY-AREMUKBSSA-N 521.639 4.492 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@H]1c1cccs1 1084510159 BNXTZRMGIOZPQP-DEOSSOPVSA-N 521.639 4.406 10 10 KICE COc1cccc(OCC(=O)Nc2cc(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)ccn2)c1 1860510926 YRYUUFIMCZNPEW-UHFFFAOYSA-N 507.502 4.135 10 10 KICE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NCc1ccccc1)[C@H]2c1ccc(O)c(O)c1 1864017321 JPTRRQLMROLBAI-QHCPKHFHSA-N 512.566 4.001 10 10 KICE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)N1CCCCCC1)[C@H]2c1ccc(O)c(O)c1 1865033871 JLKCIBCWCOEUDT-QHCPKHFHSA-N 518.614 4.477 10 10 KICE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(-c5ccccc5)nn4C)[C@@H]3c3ccccc3C)CC2)cc1 1865660452 RHUIOLDRFNXOTA-SANMLTNESA-N 535.648 4.448 10 10 KICE CCC[C@H](NC(=O)c1cc(C)n(-c2ccccc2)n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866836727 BXVPXQPEYNHONJ-DEOSSOPVSA-N 506.562 4.493 10 10 KICE Cc1nc(CNC(=O)OC(C)(C)C)sc1C(=O)N[C@@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867076693 GQZUIPLLGDINHS-HNNXBMFYSA-N 548.621 4.009 10 10 KICE CC[C@H](C)Oc1c(I)cc(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)cc1OC 2294353286 WFMZYPVYKOFOAX-ZDUSSCGKSA-N 526.371 4.272 10 10 KICE Cc1ccc(CN2C(=O)C(=Cc3c(N4CCN(Cc5ccc6c(c5)OCO6)CC4)nc4ccccn4c3=O)SC2=S)cc1 2296704084 ODBIDOAZIVVCSN-UHFFFAOYSA-N 611.749 4.455 10 10 KICE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(-c2ccc(I)cc2)o1 2313557476 DMZKZXSTSKRCTO-UHFFFAOYSA-N 502.239 4.357 10 10 KICE COc1ccc(CCN2C(=O)C(=Cc3c(NC[C@H](O)c4ccccc4)nc4ccccn4c3=O)SC2=S)cc1OC 2314475918 FPHFYRWHOVQOOF-QFIPXVFZSA-N 588.711 4.301 10 10 KICE COc1cc(C=C2C(=O)N(Cc3ccccc3Cl)N=C2C(F)(F)F)ccc1OCCN1CCOCC1 2332105207 IJWITYHTBHEIRI-UHFFFAOYSA-N 523.939 4.404 10 10 KICE CCCn1c(N2CCCC2)c(/C=C2\SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)c(C)c(C#N)c1=O 110524068 GLNCGPJQJGCCDB-JLPGSUDCSA-N 552.722 4.500 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 252671611 NTOUSVVNXFHASO-NDEPHWFRSA-N 575.662 4.362 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)cc3)c(=O)n2[C@H]1c1ccc(OCC)cc1 1081111506 BPCNCWWXBPUKRD-SANMLTNESA-N 519.667 4.043 10 10 KICE COC(=O)COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1OC 1084425125 OLXVAXVLGRIQMD-MSXFZWOLSA-N 544.604 4.381 10 10 KICE Cc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@]3(C)C[C@H]1CC(C)(C)C3)=C(N)O2 1865026928 TWAQRPVMVYADGP-HUCYYKTBSA-N 515.614 4.109 10 10 KICE O=C(CCCN1C(=O)c2ccc(Br)cc2C1=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866022580 AHKCRKZLOOVSOL-UHFFFAOYSA-N 517.335 4.239 10 10 KICE CCCC[C@H](NC(=O)c1ccc(OC(C)=O)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867718532 FZOKVBAXBJIOBZ-NSOVKSMOSA-N 522.690 4.310 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)CCCOc4ccc(C)cc4)n(C(C)(C)C)n3)CC2)cc1 1869970050 DFINKHYPFSZXFS-UHFFFAOYSA-N 506.651 4.474 10 10 KICE COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(OS(=O)(=O)c4ccc(C)cc4)c(OC)c3)C2=O)cc1 2313541153 XKQHINRFXRQPSE-UHFFFAOYSA-N 601.431 4.209 10 10 KICE COc1ccc(CN2C(=O)C(=Cc3c(N4CCCCC4)nc4ccc(C)cn4c3=O)SC2=S)cc1 2314413657 DFDZCUGDRXOBFZ-UHFFFAOYSA-N 506.653 4.403 10 10 KICE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C3SC(N4CCC(C(N)=O)CC4)=NC3=O)c2)C1 2314477008 ZQUSOGAKBSXZNZ-SZPZYZBQSA-N 632.812 4.374 10 10 KICE CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccc(C(=O)OC)cc4)c3C)C2=O)c1 1084128816 OOGAHJNVMVCGHC-HAHDFKILSA-N 531.565 4.345 10 10 KICE CN(C)c1ccc(C=c2sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)cc1 1084416920 FELDJQVJDLYMHR-HHHXNRCGSA-N 508.603 4.293 10 10 KICE CCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccco1)=C(N)O2 1864019372 JQIAKHWRSFXESD-NRFANRHFSA-N 506.946 4.103 10 10 KICE CCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)O[C@H](C)C1)=C(N)O2 1865035924 BQFWLWGWZMCFNX-KABRZNFWSA-N 540.620 4.330 10 10 KICE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1ccccc1C 1865660543 JZJHKAWLOLAYLW-NRFANRHFSA-N 541.574 4.282 10 10 KICE COc1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c([N+](=O)[O-])cc1OC 1867807211 UROGAHXCLZSIEK-YTMVLYRLSA-N 603.720 4.363 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCN(Cc5ccc6c(c5)OCO6)CC4)nc(C(C)(C)C)n3)CC2)cc1 1867968955 IEHQUAQTDCRCQX-UHFFFAOYSA-N 544.700 4.160 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)CCc3ccc4nc(O)c(-c5ccccc5)cc4c3)CC2)cc1 1868829147 VJWCCTWZAMTMCZ-QFIPXVFZSA-N 538.648 4.402 10 10 KICE COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCc3[nH]c4c(OC)cccc4c3C2)n1 1869111942 BYHMVTIAXHMUIQ-UHFFFAOYSA-N 528.657 4.053 10 10 KICE O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)C1=Cc1ccc(OCc2ccc3c(c2)OCO3)c(Br)c1 2313557193 WTLLCYSXEVGWAP-UHFFFAOYSA-N 565.332 4.152 10 10 KICE CCOc1ccc(NC(=O)CCCN2C(=O)C(=Cc3cc(OC)c(O)c(OC)c3)SC2=S)cc1 2314831600 OEXCHQUMMUEOPP-UHFFFAOYSA-N 502.614 4.428 10 10 KICE COc1ccc(C2=NN(Cc3ccccc3F)C(=O)C2=Cc2ccc(OCCN3CCOCC3)c(OC)c2)cc1 2332106643 PIDHKECESGRSQA-UHFFFAOYSA-N 545.611 4.384 10 10 KICE CCCCn1c(N2C[C@H](C)O[C@@H](C)C2)c(/C=C2\SC(=S)N(CCCOCC)C2=O)c(C)c(C#N)c1=O 39991367 IZYRLOPBSIFCDE-NGGAMFONSA-N 532.732 4.070 10 10 KICE NS(=O)(=O)c1ccc(NC(=O)CCCCCN2C(=O)/C(=C/c3cc(Br)ccc3O)SC2=S)cc1 101969326 NEQQKTWFIWWMKB-UYRXBGFRSA-N 584.539 4.202 10 10 KICE Cc1c(/C=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c(N2CCC[C@H](C)C2)n(C)c(=O)c1C#N 110519429 AFPFQVNLCADLFT-PGECNJAHSA-N 574.732 4.005 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4cccc(C(=O)O)c4)c3C)c(=O)n2[C@H]1c1ccc(C)cc1 252669095 GLUZJZQZSIXAAM-MHZLTWQESA-N 555.656 4.212 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)[C@@H](C)Oc3ccc(Cl)cc3)c3ccccc3)CC2)cc1 1862216813 CMFZUGDAXQEPHK-FQRUVTKNSA-N 508.018 4.322 10 10 KICE Cc1cc(C)cc(OCCNC(=O)C2=C(N)Oc3c(c(-c4ccccc4)nn3C)[C@@H]2c2ccc(O)c(O)c2)c1 1864016628 UJAYVTVPGPIZDI-DEOSSOPVSA-N 526.593 4.005 10 10 KICE CCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(C)cc1)=C(N)O2 1864018827 RMNOLKBTXFKOMO-SANMLTNESA-N 542.611 4.406 10 10 KICE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(-c5ccccc5)nn4C)[C@@H]3c3ccccc3F)CC2)cc1 1865068193 FGAWUVBNYVYKFT-VWLOTQADSA-N 539.611 4.278 10 10 KICE CCN(CC)c1ccc([C@@H]2C(C(=O)N3CCN(c4ccc(OC)cc4)CC3)=C(N)Oc3c2c(C)nn3CC)cc1 1865428161 JCNWAOUJRLGIOJ-MHZLTWQESA-N 544.700 4.110 10 10 KICE CC[C@](C)(NC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867205156 DMAOQZCAYRSBIJ-HKBQPEDESA-N 523.589 4.253 10 10 KICE CC(=O)Nc1cccc(C(=O)N[C@H](Cc2ccc(OC(C)=O)cc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867641338 VWHWBVQPLYCVMI-SAIUNTKASA-N 613.759 4.321 10 10 KICE CC[C@@H](NC(=O)c1ccc(-n2cccc2)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867762818 MMTSCNYYJRMVBC-VSGBNLITSA-N 501.675 4.395 10 10 KICE Cc1oc(-c2cccc(Cl)c2)nc1CC(=O)NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1868132571 RTRIUBNYPLWERJ-UHFFFAOYSA-N 513.937 4.376 10 10 KICE CCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCN(c3ccccc3)C(=O)C2)n1 1868274911 JVNCKNVLHCJXQN-UHFFFAOYSA-N 503.562 4.411 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3nc(C(C)(C)C)n4ccccc34)c3ccccc3)CC2)cc1 1868785063 RAKSNGSYSTUIKK-SANMLTNESA-N 525.653 4.460 10 10 KICE COc1ccc(N2CCN(CCC(=O)c3ccc(NC(=O)Cc4ccc(OC)c(OC)c4)cc3)CC2)cc1 1874748307 XZKSXKUUVNWXRI-UHFFFAOYSA-N 517.626 4.289 10 10 KICE CCOc1cc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)cc(I)c1O 2294199200 CZDDGXYNHMPKCP-UHFFFAOYSA-N 542.782 4.189 10 10 KICE Cc1cc(C=C2C(=O)NC(=O)N(Cc3cccs3)C2=O)c(C)n1-c1ccc(N2CCCC2)c([N+](=O)[O-])c1 2296318942 JSPSXTPXCLYQBP-UHFFFAOYSA-N 519.583 4.326 10 10 KICE CCN1CCN(c2nc3ccc(C)cn3c(=O)c2C=C2SC(=S)N(Cc3ccccc3Cl)C2=O)CC1 2296697735 FVVFYCZRUPULAU-UHFFFAOYSA-N 540.114 4.200 10 10 KICE N=C1C(=Cc2ccc(OCc3ccccc3F)cc2)C(=O)N=C2SC(CC(=O)N3CCCCC3)=NN12 2297499476 HNDZBFYSPWXNLY-UHFFFAOYSA-N 505.575 4.426 10 10 KICE CC1=NN(c2ccc(Br)cc2)C(=O)C1=CNc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1 2297512583 VJKODICNHAENDR-UHFFFAOYSA-N 541.431 4.375 10 10 KICE O=C1C(=Cc2ccccc2)SC(=S)N1CCCC(=O)N(Cc1ccc(N2CCCCC2)o1)[C@H]1CCS(=O)(=O)C1 2314828501 DBNMHKIXVLOOIG-QFIPXVFZSA-N 587.789 4.467 10 10 KICE Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(CNC(=O)C=Cc3ccc(Cl)cc3Cl)cc2)cc1 2318707654 PDEUYNKYPXAIDF-UHFFFAOYSA-N 520.394 4.383 10 10 KICE O=S(=O)(NC[C@H]1CCCO1)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cc(Br)ccc1O)N2 14461237 OACYRSBTFXIYPG-LCRZVWJLSA-N 505.434 4.439 10 10 KICE CCCn1c(N2CCN(C)CC2)c(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)c(C)c(C#N)c1=O 33812615 RTEGXOZWEAUQQA-CCQQXMDGSA-N 521.712 4.153 10 10 KICE COc1ccc(/C=C2\SC(=S)N(CCC(=O)N(Cc3c(F)cccc3Cl)[C@H]3CCS(=O)(=O)C3)C2=O)cc1 101283120 DNMZRQQXCAQBHW-RIWZNOJBSA-N 583.128 4.295 10 10 KICE CC(C)CS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCCOc4ccccc4Cl)cc3)C(=N)N21 104562262 NXUGWPVBTBXDHN-WTCJYIDHSA-N 547.058 4.445 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)cc(Br)c3OC)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 1084386928 COHROQBPHOQVJP-QFIPXVFZSA-N 635.378 4.398 10 10 KICE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1F)=C(N)O2 1864007802 VIYQHFSZIGYIRN-HSZRJFAPSA-N 520.948 4.395 10 10 KICE CCc1nn(CC)c2c1[C@H](c1ccccc1OC(C)C)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865459541 ZMXBXNLPSJFXHX-SANMLTNESA-N 545.684 4.305 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)c3cc(-c4ccc(C)c(C)c4)n(C)n3)CC2)cc1 1868754994 FVVZPDXSQOSJLV-PMERELPUSA-N 567.690 4.108 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)c3cc(C)n(-c4cccc(C)c4)n3)CC2)cc1 1868761668 WVZZJOKWDSBJTR-SSEXGKCCSA-N 555.654 4.327 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)CCC(=O)N3CCC[C@@H]3c3nc4ccccc4s3)C(C)C)CC2)cc1 1868885079 KKUWFKNRJDOBRY-IRPSRAIASA-N 577.751 4.238 10 10 KICE CCCCn1cc(OCC(=O)Nc2ccccc2C)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870707696 FIDGXGOWWDROEI-UHFFFAOYSA-N 518.658 4.305 10 10 KICE COc1ccc(C=C2SC(=S)N([C@H]3CC(=O)N(c4ccccc4C(F)(F)F)C3=O)C2=O)cc1OC 2314834163 ZQRIJRGOOLXLBT-HNNXBMFYSA-N 522.526 4.256 10 10 KICE CC[C@H](Oc1cccc(C=C2SC(=S)N(NC(=O)c3ccccc3Br)C2=O)c1)C(=O)O 2314930833 JWEBIAUCQWVAJZ-INIZCTEOSA-N 521.414 4.237 10 10 KICE CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C(=O)OC)c4)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1 2797403 HAPKCIXXSVAWOS-ASZNLBCTSA-N 585.682 4.001 10 10 KICE O=C(CCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)N1CCN(CCc2ccccn2)CC1 38645446 RJWSPEXULIKRQZ-PYCFMQQDSA-N 515.104 4.103 10 10 KICE Cc1cc(/C=C2/C(=O)N(C)c3ccc(S(=O)(=O)N4CCOCC4)cc32)c(C)n1-c1ccc(Br)cc1 101378632 XXBFNKNIUPBFSC-BUVRLJJBSA-N 556.482 4.395 10 10 KICE CCOc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)ccc1OC(=O)c1ccc(C)cc1 104563426 YVZJZKZYMKPHNW-SREDRKHISA-N 540.623 4.013 10 10 KICE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOc1ccccc1)=C(N)O2 1864007724 SRCBAZCFJRMBDY-DEOSSOPVSA-N 532.984 4.135 10 10 KICE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)NCCOc2ccccc2)[C@H]3c2ccc(O)c(O)c2)c1 1864011527 JDSWYGYVSAEJDM-MHZLTWQESA-N 540.620 4.158 10 10 KICE Cc1oc(-c2ccc3c(c2)OCO3)nc1CC(=O)NC(C)(C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867196602 AEBOJAYOESCRIY-UHFFFAOYSA-N 551.555 4.230 10 10 KICE CN(C)c1ccc([C@@H](CNC(=O)[C@H](NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c2ccccc2)N2CCCCC2)cc1 1867790501 JWWUBQDAZNFDDE-ROJLCIKYSA-N 614.747 4.312 10 10 KICE COCCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCN(c3ccc4oc(O)nc4c3)CC2)n1 1868254226 IIWVSPCZYKLPEL-UHFFFAOYSA-N 576.613 4.358 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](C)Cc3ccc(F)cc3)CC2)cc1 1868762772 FRMZPWRVSSDURA-SKCUWOTOSA-N 503.618 4.089 10 10 KICE Cc1ccccc1OCCOc1ccc(C=C2C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)cc1 2297467896 VZAMZBBNHCTAFB-UHFFFAOYSA-N 517.611 4.084 10 10 KICE C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3\SC(N4C[C@@H](C)O[C@H](C)C4)=NC3=O)c2)C[C@@H](C)O1 101013843 RUSYVENEAPWPLL-MEQLPHBBSA-N 621.785 4.417 10 10 KICE O=C1[C@H]2[C@@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc(Br)cc1 101076075 DSJBJCIWKMIGGD-QHAWAJNXSA-N 502.320 4.144 10 10 KICE CCOC(=O)c1ccc(NC(=O)CN2C(=O)/C(=C/c3cc(Br)ccc3O)SC2=S)cc1 101965731 WTNVGKFZNUBSQC-YVLHZVERSA-N 521.414 4.171 10 10 KICE CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)cc(Br)c1OCC(=O)N1CCOCC1 150398989 KGSXCDXYCAIOJR-DEDYPNTBSA-N 685.416 4.394 10 10 KICE CCC[C@H](NC(=O)CNC(=O)c1ccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1)C(=O)O 1081156876 PQORJUKFDNPKHW-PYJSORCASA-N 565.595 4.211 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](CSCc3ccccc3)NC(=O)c3ccc(F)cc3)CC2)cc1 1862068367 WOKDWGIYVKBPHD-SANMLTNESA-N 507.631 4.215 10 10 KICE CCCc1nn(CC)c2c1[C@H](c1ccc(F)cc1F)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865420128 JPXAULZTDGZHKV-DEOSSOPVSA-N 537.611 4.186 10 10 KICE CC[C@H](NC(=O)CCc1csc(-c2ccccn2)n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867058090 WQAUXYIMOVYYRZ-NRFANRHFSA-N 524.602 4.447 10 10 KICE CCCC[C@@H](NC(=O)c1ccc(OC)c(N2CCN(C)CC2)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867219774 LXJKFWSNDNGPCZ-AREMUKBSSA-N 568.674 4.150 10 10 KICE CC(=O)Oc1cccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867301577 DQHBJFWFZCCNSI-IOWSJCHKSA-N 556.707 4.362 10 10 KICE COCCCN1C(=O)c2ccc(C(=O)N[C@H](C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)c3ccccc3)cc2C1=O 1867516511 AJKYLLPTFDZDDI-ACHIHNKUSA-N 625.770 4.200 10 10 KICE CCCC[C@@H](NC(=O)c1ccc(OC(C)=O)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867718533 FZOKVBAXBJIOBZ-VSGBNLITSA-N 522.690 4.310 10 10 KICE CCCN1CCN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(-c3ccc(OCC)cc3)n2)CC1 1867997175 ZCPVJLCSTVXZIP-UHFFFAOYSA-N 516.690 4.410 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)[C@@H]3C[C@@H]3c3ccc(F)cc3)CC2)cc1 1868825525 RSNOCTHNNCKXSQ-FCEKVYKBSA-N 519.592 4.153 10 10 KICE COc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCN3CCOCC3)C2=O)cc1Cl 1873425512 BXIWENRSJZVAGV-UHFFFAOYSA-N 535.044 4.280 10 10 KICE Cc1cc(Br)c(N2C(=O)NC(=O)C(=CNN3C(=O)c4cccc5c(N6CCCCC6)ccc(c45)C3=O)C2=O)cc1C 2297534404 VXSPJHIEOSNFGX-UHFFFAOYSA-N 616.472 4.477 10 10 KICE Cc1ccc2nc(N3CCN(c4ccccc4F)CC3)c(C=C3SC(=S)N(CCCCCC(=O)O)C3=O)c(=O)n2c1 2314408584 KZMBEXSFMBUVTH-UHFFFAOYSA-N 595.722 4.315 10 10 KICE O=C(CCCN1C(=O)C(=Cc2cc(Br)ccc2O)SC1=S)Nc1ccc(C(=O)O)cc1 2314831316 IFUXBXDNSONEJZ-UHFFFAOYSA-N 521.414 4.473 10 10 KICE COc1ccc(C2=C(O)C(=O)N(c3ccccc3N3CCOCC3)[C@H]2c2ccc(O)c(O)c2)c(OC)c1 526501435 OUGFJHJLSBWUBR-SANMLTNESA-N 504.539 4.009 10 10 KICE CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(sc(=Cc3ccc(N(CC)CC)cc3O)c2=O)=N1 1084404886 QAMUIWOJBVURCN-MUUNZHRXSA-N 579.719 4.148 10 10 KICE CC(C)CCC(=O)NCc1ccc(S(=O)(=O)NC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 1858680413 TUQYCWISNHYYSK-UHFFFAOYSA-N 533.606 4.025 10 10 KICE CCOC(=O)c1c(NC(=O)C(=O)NCCCCN2CCCC2)sc(C)c1-c1ccc(OCC)cc1 1860762455 GXIAZECEJGODBI-UHFFFAOYSA-N 501.649 4.230 10 10 KICE CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(OC)cc1)=C(N)O2 1864016966 AYCFJWFLGIVADG-RUZDIDTESA-N 526.593 4.174 10 10 KICE Cc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1C)=C(N)O2 1865026590 QAVZSJPPMZCFIQ-CMJOXMDJSA-N 509.006 4.400 10 10 KICE COc1ccc(N2CCN(c3nc(=NCCc4ccc(C)cc4)[nH]c(=Nc4cccc(C)c4)[nH]3)CC2)cc1 1871651204 OORNSEGJPVQIMQ-UHFFFAOYSA-N 509.658 4.066 10 10 KICE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OCCOc1ccc([N+](=O)[O-])cc1 2293453439 ITYCKYFJUCQUDO-UHFFFAOYSA-N 531.521 4.426 10 10 KICE COc1ccc(C=C2SC(=S)N(CCCCCC(=O)NCCCCCC(=O)O)C2=O)cc1OC 2314831103 COCOERGCMMGNEJ-UHFFFAOYSA-N 508.662 4.227 10 10 KICE COc1ccc(OC)c(NC(=O)COC(=O)CCN2C(=O)/C(=C/C=C\c3ccccc3)SC2=S)c1 35229348 PKJNYZSACQNMNP-GIEIVYLJSA-N 512.609 4.033 10 10 KICE CN1CCN(CN2C(=O)/C(=C3\SC(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)c3ccccc32)CC1 38204945 RRCVPTZMOFHQIQ-VXPUYCOJSA-N 519.479 4.321 10 10 KICE CCSC1=NSC2=NC(=O)/C(=C\c3ccc(OC(=O)c4ccc(OC)c(OC)c4)c(OC)c3)C(=N)N12 101348308 UWWJDFHBVFWARS-MZLPUNMDSA-N 526.596 4.261 10 10 KICE COc1ccccc1CNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2cccc(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1864012415 ZKLVJOGFWKNSCL-VWLOTQADSA-N 547.011 4.324 10 10 KICE CSCC[C@H](NC(=O)c1cc(-c2ccco2)on1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866640634 BONJDEIOXBDDQI-IBGZPJMESA-N 515.547 4.200 10 10 KICE CCOc1cc(C=C2C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)ccc1OCc1ccc(C(=O)O)o1 2294353296 ZBFMTCJAUBTUTJ-UHFFFAOYSA-N 555.337 4.384 10 10 KICE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)c(C)c1 2296709049 ICROHRFYGWHVEZ-IBGZPJMESA-N 525.677 4.245 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)C=Cc4cccc([N+](=O)[O-])c4)n(-c4ccccc4)n3)CC2)cc1 2331394519 PPRMRXMVUHEUOM-UHFFFAOYSA-N 525.569 4.163 10 10 KICE CCCN(CCC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N)=NC2=O)c1 35447643 QTUUGCPFLHGKHX-CJLVFECKSA-N 509.657 4.279 10 10 KICE COc1ccc(CCN2C(=O)/C(=C/c3c(C)c(C#N)c(=O)n(C)c3N3CCC[C@@H](C)C3)SC2=S)cc1 39989559 YMXAFEUGYFFXLF-NQRZERFFSA-N 522.696 4.254 10 10 KICE CCN(CC)C(=O)COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1 40940348 BVEHBVMSOWRKSN-CPNJWEJPSA-N 504.033 4.133 10 10 KICE Cc1ccc(-n2nc(C)c(N/C=C3/C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)c2C)cc1C 59858404 JDYMYIGLOPYKGP-NDENLUEZSA-N 508.376 4.447 10 10 KICE C[C@H]1CN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(CCCc3ccccc3)C2=O)C[C@@H](C)O1 97464756 BRZMSSACCZRKAM-FRGYUACHSA-N 520.680 4.142 10 10 KICE CS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCCOc4ccc(Cl)cc4)c(Cl)c3)C(=N)N21 104559874 OTZRGBHMFUIKCB-MGGLCJOQSA-N 539.422 4.072 10 10 KICE COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)N(C(=O)CSc3nccn3C)c3ccccc32)S1 104687787 LSZUUTUQVDAFBA-UHFFFAOYSA-N 561.732 4.414 10 10 KICE Cc1c(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)c(N2CCN(c3ccccc3)CC2)n(C)c(=O)c1C#N 110520137 VLFOUFZZCYFSAG-YSMPRRRNSA-N 585.711 4.022 10 10 KICE COC(=O)[C@@H](Cc1ccccc1)NC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21 1616128615 RRQJHWBFJPKXSV-FYBSXPHGSA-N 536.632 4.079 10 10 KICE CCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)CC)=C(N)O2 1864019734 PVWOWNSMKBHHOW-RBZFPXEDSA-N 527.419 4.218 10 10 KICE CC(=O)Oc1ccc(C[C@H](NC(=O)CCc2ccco2)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 1866583611 UBSQBELFWHXQTC-MHZLTWQESA-N 550.567 4.279 10 10 KICE CCCC[C@H](NC(=O)Cc1ccc2c(c1)OCCO2)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866606712 NZXCMXXPKOQHGL-QHCPKHFHSA-N 512.562 4.089 10 10 KICE CCC[C@H](NC(=O)[C@@H]1CCCN1Cc1ccccc1F)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866919426 PTAQYIQLCAXHPI-UIOOFZCWSA-N 527.596 4.489 10 10 KICE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@H](NC(=O)C3CCN(C(=O)C(F)(F)F)CC3)c3ccccc3)cccc21 1867289687 GCOGEEHJCSXCOD-XMMPIXPASA-N 563.532 4.059 10 10 KICE CC[C@](C)(NC(=O)c1cc(OC)c(OC)c(OC)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867342469 GIIWRXAODBLSCU-NGQVCNFZSA-N 540.705 4.020 10 10 KICE COc1ccc([C@H](C(=O)N[C@@H](C(=O)N2CCN(c3ccc(OC)cc3)CC2)C(C)C)C2CCCC2)cc1 1868882129 RXUCHEQTBQAPPI-VSGBNLITSA-N 507.675 4.467 10 10 KICE CCOCCCn1cc(OCc2cccc(F)c2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870612787 JLCTXVAMYSQOPD-UHFFFAOYSA-N 509.622 4.324 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccccc3N3CCOCC3)C(=O)N(CCCCN(C)C)C2=O)cc1 1873425426 XVOOOSBQSXBFPV-UHFFFAOYSA-N 541.696 4.465 10 10 KICE Cc1c(NC(=O)CN2C(=O)C(=C3SC(=S)N(Cc4ccccc4)C3=O)c3ccccc32)c(=O)n(-c2ccccc2)n1C 2296713525 GVJWMSIGHCXBEZ-UHFFFAOYSA-N 595.706 4.241 10 10 KICE CCOc1cc(C=C2C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 2297463264 WZCSFWJPTQGITD-UHFFFAOYSA-N 533.444 4.394 10 10 KICE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1cc(Cl)cc(I)c1O 2313559440 AGASUPHWKJLDIO-UHFFFAOYSA-N 547.530 4.079 10 10 KICE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1cc(Br)cc(Cl)c1O 2313559845 XUNALLSTKXWLEA-UHFFFAOYSA-N 500.530 4.237 10 10 KICE NS(=O)(=O)c1ccc(NC(=O)CCCN2C(=O)C(=Cc3cc(Br)cc(Br)c3O)SC2=S)cc1 2314831389 JYQFQMMBCFWZGJ-UHFFFAOYSA-N 635.381 4.185 10 10 KICE CCCCCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O 33781304 WPNCLKLUVDXMNA-MOSHPQCFSA-N 508.625 4.427 10 10 KICE CC(=O)Oc1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(c4cccc(Br)c4)C3=O)c2C)cc1 100072248 QCPPHQSOPQALQW-UUYOSTAYSA-N 522.355 4.448 10 10 KICE O=C1c2ccccc2C(=O)c2cc(CN3C(=O)[C@H]4[C@H](C3=O)[C@H](c3cc(Cl)cc(Cl)c3Cl)N[C@H]4C(=O)O)ccc21 102462086 JDVKAXJWFVGMDV-BAMDZGJYSA-N 583.811 4.321 10 10 KICE COc1ccc(N2CCN(C(=O)C3CCN(S(=O)(=O)c4c(C)noc4/C=C\c4ccc(C)cc4)CC3)CC2)cc1 105785228 VOMXFTWUDFUJIG-JYRVWZFOSA-N 564.708 4.220 10 10 KICE COC(=O)c1cc(N/C(C)=C2/C(=O)N(c3ccc(OC)cc3)N=C2c2ccc(OC)cc2)cc(C(=O)OC)c1 205970162 MRPQAKVTCUVNGJ-KOEQRZSOSA-N 529.549 4.414 10 10 KICE COC(=O)c1c(NC(=O)C(=O)NC[C@@H](c2ccc(OC)cc2)N(C)C)sc(C)c1-c1ccc(C)c(C)c1 1860761366 SIRGVOXIOZYUKA-QFIPXVFZSA-N 523.655 4.493 10 10 KICE CCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccs1)=C(N)O2 1864018805 REGKKLPMXZZCEP-QFIPXVFZSA-N 520.586 4.117 10 10 KICE CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@H](C)C1)=C(N)O2 1865028966 CEBMLEYYTMVHJU-PXAQALGRSA-N 539.032 4.220 10 10 KICE CCCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)C[C@@H](C)C1)=C(N)O2 1865029393 MGUAHYMQTWEQEL-RRQZXNHTSA-N 516.642 4.494 10 10 KICE COc1ccccc1-c1nc(CC(=O)N[C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c(C)o1 1866669376 DJMCVNWXJROYOH-INIZCTEOSA-N 523.545 4.120 10 10 KICE CN(C)c1ccc([C@@H](CNC(=O)[C@@H](NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c2ccccc2)N2CCCCC2)cc1 1867694869 VCTAKDGWKRLGBJ-ZWXJPIIXSA-N 668.260 4.241 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](CSCc3ccccc3)NC(=O)c3cccc(Cl)n3)CC2)cc1 1868579685 LVTXNOMJMYDXGZ-XMMPIXPASA-N 525.074 4.124 10 10 KICE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)c3cc(C4CC4)n4nc(-c5ccccc5)cc4n3)CC2)cc1 1869003020 BEKCBFLKNUADOW-UHFFFAOYSA-N 538.652 4.140 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCN[C@H](c5cn(C)c6ccccc56)C4=O)nc(C(C)(C)C)n3)CC2)cc1 1869194654 BJQWTLUZZKDCAD-GDLZYMKVSA-N 553.711 4.279 10 10 KICE O=c1cc(CNc2ccc(Nc3ccccc3)cc2)n(CCO)cc1OCc1nc(O)c2ccccc2n1 1870799528 SHSRSBOJOYBDBP-UHFFFAOYSA-N 509.566 4.424 10 10 KICE CCOCCCN1C(=O)C(NCCc2nc3ccccc3[nH]2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873169602 RAGIOSBEHZPZHA-UHFFFAOYSA-N 511.626 4.309 10 10 KICE CC(=O)Nc1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C3CCN(C)CC3)C2=O)c1 1873427606 RSNNMXQTYFDTRZ-UHFFFAOYSA-N 511.626 4.339 10 10 KICE COc1ccc(C=C2SC(=S)N(CCCC(=O)N(Cc3ccc(N4CCCCC4)o3)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 2314829302 XCXVVXFDRHPMCC-JOCHJYFZSA-N 617.815 4.476 10 10 KICE O=C(CCCN1C(=O)C(=Cc2ccccc2OC(F)F)SC1=S)Nc1cc(C(=O)O)cc(C(=O)O)c1 2314933285 AGOFZSAXOWOJIZ-UHFFFAOYSA-N 536.534 4.305 10 10 KICE CCOC(=O)Cn1cc(C(=O)C(=O)N2CCN(c3ccc(OC)cc3)CC2)c2cc(NC(=O)CC(C)(C)C)ccc21 103086203 RCYYXPJAKNVAPQ-UHFFFAOYSA-N 562.667 4.119 10 10 KICE COc1nccnc1NS(=O)(=O)c1ccc(N/C=C2\C(=O)N(c3ccc(Br)cc3C)N=C2C)cc1 104235123 MGHBLGNCYWJMOX-UYRXBGFRSA-N 557.430 4.075 10 10 KICE CC(C)CS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(-c4ccc(Br)cc4)o3)C(=N)N21 104562325 PSABHIIFJUSIHX-WKWHHHHXSA-N 521.418 4.357 10 10 KICE Cc1ccc2nc(N3CCC(C)CC3)c(/C=C3\SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(=O)n2c1 105643350 BWNAOSWCLBAJED-KQWNVCNZSA-N 586.743 4.443 10 10 KICE CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CN2C(=O)/C(=C\c3cccs3)SC2=S)cc1 205610924 BJLAMWMZUJLBEX-DBRLUCFCSA-N 501.699 4.223 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 1084502059 OVNHSLBNBAHRFV-HHHXNRCGSA-N 559.619 4.074 10 10 KICE Cc1ccc(CCNC(=O)C2=C(N)Oc3c(c(C)nn3Cc3ccccc3)[C@@H]2c2ccc(O)c(O)c2)cc1 1864008183 FBAWMVZNCSQBIT-SANMLTNESA-N 510.594 4.013 10 10 KICE CCCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccccc1)=C(N)O2 1864013740 ZMYKGXUVMRLQOY-AREMUKBSSA-N 542.611 4.488 10 10 KICE COCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1864013854 HODRVBOCUVEMGX-JOCHJYFZSA-N 532.984 4.061 10 10 KICE COCCCN1C(=O)c2ccc(C(=O)N[C@H](C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)c3ccccc3)cc2C1=O 1867516514 AJKYLLPTFDZDDI-ZWXJPIIXSA-N 625.770 4.200 10 10 KICE CCOC(=O)N1CCN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(-c3ccccc3C)n2)CC1 1867961301 LVPXNXCUAVYEKG-UHFFFAOYSA-N 516.646 4.066 10 10 KICE CC[C@@H](NC(=O)Cc1nc(-c2ccccc2Cl)oc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868647361 MSBVWYNSLLAKMD-HSZRJFAPSA-N 511.022 4.098 10 10 KICE CCN(CC)CCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCn2ccnc2)C1=O 1873167335 BOJCIAZUTJKSTK-UHFFFAOYSA-N 516.690 4.172 10 10 KICE CCn1c(C=C2C(=O)Nc3ccc(Br)cc32)nc2ccc(I)cc2c1=O 2295914188 KISDYYZZVZDCTM-UHFFFAOYSA-N 522.140 4.276 10 10 KICE CCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(C)C)c2)SC1=S 2314476967 YYNDULMODMTYLF-UHFFFAOYSA-N 512.682 4.401 10 10 KICE Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCCCCC(=O)O)C3=O)c(N3C[C@@H](C)C[C@@H](C)C3)nc12 33452769 SGZRKNNDXCAEOC-PIMKSVOMSA-N 528.700 4.331 10 10 KICE CCCCn1c(N2CCC[C@@H](C)C2)c(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)c(C)c(C#N)c1=O 39990439 YBAUTCJCXPUBIT-FPXKJXHESA-N 516.689 4.131 10 10 KICE O=C1NC(=O)C(=Cc2ccc(Sc3nc4ccc(NC(=O)c5ccccc5F)cc4s3)c([N+](=O)[O-])c2)C(=O)N1 103805997 HKSJMFFIHJZOGE-UHFFFAOYSA-N 563.548 4.497 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3c(C)nn(-c4ccccc4)c3Cl)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 252670070 JMOKXCWZFNHIDF-RUZDIDTESA-N 562.095 4.012 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4cccc(C(=O)OC)c4)c3C)c(=O)n2[C@@H]1c1cccs1 252676535 XJLZSRXNHSXGSF-RUZDIDTESA-N 561.685 4.054 10 10 KICE CC[C@H](NC(=O)c1ccc2nc(-c3ccccc3F)[nH]c2c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862092058 BVSHKVOLOBJTLY-DEOSSOPVSA-N 515.589 4.235 10 10 KICE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1ccc(Cl)cc1)[C@@H]2c1ccc(O)c(O)c1 1864023247 WIJQHZFIMIBPBZ-QGZVFWFLSA-N 522.911 4.388 10 10 KICE CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(c3cccc(C)c3C)CC1)=C(N)O2 1865037498 PENKKKBXZIRQHG-AREMUKBSSA-N 545.684 4.173 10 10 KICE COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C/c2ccc(OCCN3CCOCC3)c(OC)c2)cc1 1865665097 AZUMVAJSZMBZKL-LHLOQNFPSA-N 513.594 4.249 10 10 KICE Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)N[C@@H](c4ccc(N(C)C)cc4)c4nccn4C)cc3C2=O)c1 1865882686 AEJGHXIMPDIBRY-SANMLTNESA-N 507.594 4.423 10 10 KICE CCOC(=O)[C@H]1CCCN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(-c3cccc(OC)c3)n2)C1 1867994426 UOQWLDMHZOSERC-QHCPKHFHSA-N 531.657 4.267 10 10 KICE CCCC[C@H](NC(=O)Cc1nc(-c2ccc(F)cc2)oc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868645738 YBLCTGRTLQAVTF-VWLOTQADSA-N 522.621 4.364 10 10 KICE COc1ccc(N2CCN(C(=O)CNC(=O)[C@@H](CC(C)C)c3ccc(OC)c(Br)c3)CC2)cc1 1869006672 CIGZNNGHFWHLJO-QFIPXVFZSA-N 532.479 4.061 10 10 KICE COc1ccc(N2CCN(CCC(=O)c3ccc(NC(=O)COc4cccc(OC)c4)cc3)CC2)cc1 1874757190 JASDHCMZHWXBED-UHFFFAOYSA-N 503.599 4.116 10 10 KICE CCOc1cc(C=C2C(=N)N3N=C(S(=O)(=O)CC)SC3=NC2=O)cc(Cl)c1OCc1ccccc1 2297346080 AYHLLUSKOLBVKA-UHFFFAOYSA-N 533.031 4.329 10 10 KICE CCOc1cc(C=C2C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OCc1ccc2c(c1)OCO2 2297469230 ISDMOVXCEHMAAU-UHFFFAOYSA-N 527.562 4.455 10 10 KICE CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C(C)=O)cc4)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 105517656 FWTMQPYDBDIGOZ-RGFRMHDHSA-N 555.656 4.327 10 10 KICE Cc1cccn2c(=O)c(/C=C3\SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(N3CCC(C)CC3)nc12 105642909 ADEIUSCLEKGGAE-QJOMJCCJSA-N 586.743 4.443 10 10 KICE O=C1c2ccccc2C(=O)c2cc(CN3C(=O)[C@@H]4[C@H](C(=O)O)N[C@@H](c5cc(Cl)cc(Cl)c5Cl)[C@@H]4C3=O)ccc21 247380641 JDVKAXJWFVGMDV-DWQJTFDBSA-N 583.811 4.321 10 10 KICE CCOC(=O)COc1c(Br)cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1Br 1083983465 FTLNABHGPXNBBU-GHXNOFRVSA-N 586.233 4.124 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)/C=C/c3ccc(Cl)cc3)CC2)cc1 1861946035 DSIOOYIOARUCBZ-GFUFCRMCSA-N 520.029 4.144 10 10 KICE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(c3ccccc3F)CC1)=C(N)O2 1865030575 MKMOQLZNXHOGEJ-VWLOTQADSA-N 549.647 4.085 10 10 KICE CCCC[C@@H](NC(=O)c1cc(-c2cccnc2)on1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867165483 ZKOWSPHGPKMSAV-JOCHJYFZSA-N 508.534 4.439 10 10 KICE CCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(C(C)(C)C)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867511027 YHVPDVKAITUHJZ-WUFINQPMSA-N 575.754 4.389 10 10 KICE CN(C)c1ccc([C@@H](CNC(=O)[C@@H](NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c2ccccc2)N2CCCCC2)cc1 1867790502 JWWUBQDAZNFDDE-ZWXJPIIXSA-N 614.747 4.312 10 10 KICE CN(C)c1ccc([C@H](CNC(=O)C(C)(C)NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])N2CCCCC2)cc1 1867877813 FVZBDZULWKYGGW-QHCPKHFHSA-N 516.042 4.166 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)c3nc(C(C)(C)C)n4ccccc34)CC2)cc1 1868791705 RDNJLHMXPOCDMJ-SANMLTNESA-N 557.670 4.469 10 10 KICE C[C@@H](O)Cn1cc(OCC(=O)NCc2ccccc2)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870820671 QUMVBSPEGKYYAS-JOCHJYFZSA-N 512.610 4.280 10 10 KICE COc1ccc(N2CCN(c3nc(=NCC(C)C)nc(Nc4ccc(C(F)(F)F)cc4)[nH]3)CC2)cc1 1871678953 KDFQROQEHIQQSK-UHFFFAOYSA-N 501.557 4.459 10 10 KICE CCc1cccc(C)c1NC(=O)COc1ccc(S(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1872721430 MJSCSILQFWFHPY-UHFFFAOYSA-N 523.655 4.094 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCCCN(C)C)C(=O)N(C3CCN(Cc4ccccc4)CC3)C2=O)cc1 1873165307 HERQHYXVXRMIKJ-UHFFFAOYSA-N 539.724 4.380 10 10 KICE COCCN1C(=O)C(Nc2cccc(C(=O)OC(C)C)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873420532 PGSLZIFMDCOMGE-UHFFFAOYSA-N 501.583 4.498 10 10 KICE [N-]=[N+]=N[C@H]1CCC[C@H]1NC(=O)c1cc(I)cc(I)c1I 2234170648 FZIXYQXEZPAEOX-ZJUUUORDSA-N 607.959 4.462 10 10 KICE O=C(C=Cc1ccccc1)N(C(=O)C=Cc1ccccc1)S(=O)(=O)c1ccc(N=NN2CCOCC2)cc1 2297531767 PANWASRJJZJYOS-UHFFFAOYSA-N 530.606 4.488 10 10 KICE O=C1C(=Cc2c(Oc3ccc(Cl)cc3Cl)nc3ccccn3c2=O)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 2314509909 ZUSJBAODKJRJDD-CYBMUJFWSA-N 568.485 4.182 10 10 KICE COc1ccc(C=C2SC(=S)N(CCCC(=O)N(Cc3sccc3C)[C@H]3CCS(=O)(=O)C3)C2=O)cc1 2314600220 SORVLHCTOFBHOD-IBGZPJMESA-N 564.776 4.262 10 10 KICE CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)ccc1OCCC(=O)O 16919760 DLDISFIBPBARHD-LDADJPATSA-N 506.989 4.138 10 10 KICE COc1ccc(/C=C2\SC(N3CCN(C(=O)CCN4C(=O)/C(=C/c5cccs5)SC4=S)CC3)=NC2=O)cc1 103453919 UCEUHPSCNWAADK-DRXLFAFDSA-N 584.770 4.163 10 10 KICE COc1cc(/C=C2/C(=O)NC(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(I)c1O 104355691 SIHQENRKBFCMJS-WMZJFQQLSA-N 566.657 4.344 10 10 KICE CCCNc1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(c2c(C)n(C)n(-c3ccccc3)c2=O)C1=O 110076030 SIJCNYHLKMJJLK-ZHZULCJRSA-N 546.678 4.028 10 10 KICE Cc1ccsc1CN(C(=O)CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)[C@@H]1CCS(=O)(=O)C1 207325431 RUABSXDQMIDXAN-LSCADSNKSA-N 538.713 4.003 10 10 KICE O=C(O)CCCCCN1C(=O)/C(=C/c2c(Oc3ccc(F)cc3)nc3ccccn3c2=O)SC1=S 213153993 JDKXXEXNVQNBCC-JXAWBTAJSA-N 513.572 4.472 10 10 KICE NC1=C(C(=O)N2CCOCC2)[C@@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3cccc(Cl)c3)c2O1 1865032025 UAXDZXAOEOVSKR-QHCPKHFHSA-N 544.995 4.157 10 10 KICE CCCc1nn(CCC)c2c1[C@@H](c1cccc(O)c1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865046490 VMDKMDNPSBLHFG-RUZDIDTESA-N 531.657 4.003 10 10 KICE CC(=O)Oc1ccc(C[C@H](NC(=O)c2ccc3c(c2)C(=O)N([C@H](CC(C)C)C(=O)O)C3=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867468785 OHYQUVIPQHNHGV-LIVOIKKVSA-N 739.870 4.458 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)[C@H](c3ccc(Br)cc3)C(C)C)CC2)cc1 1868847427 DGPYJYZFXQOVOW-MBSDFSHPSA-N 502.453 4.051 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)C[C@H](C)c3cccc(OC)c3)CC2)cc1 1868941239 HKLTWDNHXFZYGI-PZGXJGMVSA-N 533.644 4.413 10 10 KICE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CCN(c2cc(Br)c(CN)cc2F)CC1 2227920677 NCVUOGKFCBRHGH-UHFFFAOYSA-N 531.467 4.341 10 10 KICE COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1 2297454108 NRGJGUZEPYYRPD-UHFFFAOYSA-N 537.931 4.204 10 10 KICE COc1cc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc(Br)c1OCc1ccc(Cl)cc1 2297499374 WZFFUWUOGLRNRZ-UHFFFAOYSA-N 583.873 4.311 10 10 KICE O=C(CN1C(=O)C(=Cc2ccc(Cl)cc2)SC1=S)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 2297554525 CMCQLYZXEZDGQX-UHFFFAOYSA-N 551.096 4.437 10 10 KICE Cc1ccc2nc(NCC(C)C)c(/C=C3/SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(=O)n2c1 100860496 SWHPXEBIPJERAU-FYJGNVAPSA-N 560.705 4.274 10 10 KICE Cc1cccn2c(=O)c(/C=C3/SC(=S)N([C@@H]4CCS(=O)(=O)C4)C3=O)c(Oc3ccc(Cl)cc3Cl)nc12 101063136 YIKCTIUYLRQZAN-YFEUJDIGSA-N 582.512 4.490 10 10 KICE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CCCc4ccccc4)C3=O)c(N3C[C@H](C)O[C@H](C)C3)nc12 102581628 PWTMQXXGVNQROC-IWEFTRBYSA-N 534.707 4.451 10 10 KICE COc1cccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3sc(=Cc4ccc(N5CCCCC5)cc4)c(=O)n32)c1 254606459 GJSDFJNWOSAYFV-MHZLTWQESA-N 531.678 4.186 10 10 KICE CC(C)c1nc2c(Cl)cc(C(F)(F)F)cn2c1/C=C1/SC(=S)N([C@H](C(=O)O)[C@H](C)O)C1=O 1858596072 OEYVVCSBQIKAEQ-REIGGUEDSA-N 507.943 4.165 10 10 KICE Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCc1ccccc1)=C(N)O2 1864008242 GNRQWLLOMPBVJG-AREMUKBSSA-N 510.594 4.095 10 10 KICE Cc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(Cl)cc1)=C(N)O2 1864012283 WTPQIJSPVYOYFV-XMMPIXPASA-N 534.975 4.455 10 10 KICE CCCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOc3ccccc31)=C(N)O2 1865030003 ZVMRLAFZNNYLEB-SANMLTNESA-N 538.604 4.415 10 10 KICE COc1ccc(-c2nn(C)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)N2CCCc4ccccc42)=C(N)O3)cc1 1865033660 FSHYRETZCPERAJ-DEOSSOPVSA-N 524.577 4.181 10 10 KICE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC1)=C(N)O2 1865035263 POSZGOHKXKFJSU-OAQYLSRUSA-N 512.969 4.015 10 10 KICE CCOC(=O)Cc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C3CCN(C)CC3)C2=O)cc1 1873427241 IQWUGZGYSXSDDJ-UHFFFAOYSA-N 540.664 4.486 10 10 KICE CCCOc1cccc(NC(=O)c2cc(OC(C)=O)c3c(c2)C(=O)c2cccc(OC(C)=O)c2C3=O)c1 1873923950 BWHCOINRIYQQIH-UHFFFAOYSA-N 501.491 4.354 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)Cc3ccc(F)cc3F)CC2)cc1 1874642675 KRXFFRCGOULDHZ-NDEPHWFRSA-N 532.591 4.074 10 10 KICE N=C1C(=Cc2ccc(OCCOc3ccccc3Cl)cc2)C(=O)N=C2SC(CC(=O)N3CCCC3)=NN12 2296056354 JVIYSEBEEVBEND-UHFFFAOYSA-N 538.029 4.429 10 10 KICE COc1cc(C=C2C(=O)NC(=O)N(c3cc(C)c(C)cc3Br)C2=O)cc(I)c1OC 2313549123 NSPKUQVGVARCNS-UHFFFAOYSA-N 585.192 4.354 10 10 KICE C[C@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C3SC(=S)NC3=O)c2)C1 2314508137 QPEQYPWGLISCHI-KRWDZBQOSA-N 524.693 4.449 10 10 KICE COc1ccc(N2N=C(C)/C(=C(/C)Nc3ccc(S(=O)(=O)Nc4ccc(Cl)nn4)cc3)C2=O)cc1 20286541 QZCKQBWFXJOFGP-HYARGMPZSA-N 512.979 4.048 10 10 KICE COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc(I)c1OS(=O)(=O)c1ccc(C)cc1 100320824 KIBXRUPUZVRDPS-UNOMPAQXSA-N 618.405 4.042 10 10 KICE COc1ccc(CCN2C(=O)/C(=C3\C(=O)N(CC(=O)NCCc4ccccc4)c4ccccc43)SC2=S)cc1 102840697 SIBHHOZYGUZMNP-CYYJNZCTSA-N 557.697 4.215 10 10 KICE CCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(F)cc2)[C@H]1c1ccc(O)c(O)c1 1864015282 NXRDFGGRSUANDF-GOSISDBHSA-N 520.483 4.111 10 10 KICE CC[C@@](C)(NC(=O)c1cccc(N2CCCC2=O)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866614923 NGDDUROYEMUTCU-SSEXGKCCSA-N 509.562 4.126 10 10 KICE CC(=O)Oc1ccc(C[C@@H](NC(=O)c2ccc3oc(O)nc3c2)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 1867137069 ZRNISZZYYFMWRT-AREMUKBSSA-N 589.560 4.214 10 10 KICE CC(C)C[C@@H](C(=O)N[C@@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cccc(Br)c1 1867201560 GANYQQXBHGAUOU-VWNXMTODSA-N 563.448 4.470 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)[C@H](Cc3ccncc3)c3ccccc3)CC2)cc1 1868673670 PWXSKXUFBFKDND-ROJLCIKYSA-N 564.686 4.198 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)CCCc3cccc(Cl)c3)CC2)cc1 1868953185 ARAGWYDIQALDHQ-MUUNZHRXSA-N 536.072 4.453 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCC[C@H]4C(=O)N=c4cc(C)o[nH]4)nc(-c4ccccc4Cl)n3)CC2)cc1 1869232305 GANOXQALAUEPBP-VWLOTQADSA-N 574.085 4.458 10 10 KICE CCc1ccc(Nc2nc(=NCc3ccc(O)cc3)nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]2)cc1 1871586661 DVCXQWXXKWZHNE-UHFFFAOYSA-N 511.630 4.252 10 10 KICE CCS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(OCCSc4ccc(C)cc4)c(OC)c3)C(=O)N=C2S1 2297346280 RQSMKPAWTACBKA-UHFFFAOYSA-N 544.680 4.186 10 10 KICE Cc1cc(Br)ccc1N1C(=O)NC(=O)C(=Cc2c(C)nn(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2C)C1=O 2313548106 LVLUAVVSIFDBFP-UHFFFAOYSA-N 569.328 4.043 10 10 KICE CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3ccccc3OCc3ccc(C(=O)O)cc3)C2=O)c1 2313556795 LEJDZWVTNGDZSV-UHFFFAOYSA-N 530.533 4.428 10 10 KICE CS(=O)(=O)c1ccc(-c2nsc(NC(=O)CCN3C(=O)C(=Cc4ccc(Cl)cc4)SC3=S)n2)cc1 2314913645 LHIVALXNSXKIPD-UHFFFAOYSA-N 565.123 4.492 10 10 KICE COc1ccc(CCN2C(=O)/C(=C\c3c(NC[C@@H](O)c4ccccc4)nc4ccccn4c3=O)SC2=S)cc1OC 101012801 FPHFYRWHOVQOOF-YALBQKEFSA-N 588.711 4.301 10 10 KICE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)CCCOc3cc(C)c(Cl)c(C)c3)CC2)cc1 1862225445 LVQGEIRHFOXNTQ-UHFFFAOYSA-N 502.055 4.368 10 10 KICE CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOCC)=C(N)O2 1864011842 ZDRJDNKWKVGSHN-QFIPXVFZSA-N 527.021 4.127 10 10 KICE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccn1)=C(N)O2 1864018443 LCSBCRBCYQMSMU-QHCPKHFHSA-N 549.990 4.104 10 10 KICE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)N2CCC(C)CC2)[C@H]3c2ccc(O)c(O)c2)cc1 1865031850 PKUYVFIPLJSOHP-FQEVSTJZSA-N 544.530 4.264 10 10 KICE CCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CCc1ccncc1)=C(N)O2 1865033428 ZJEAXEFZGOGFRP-AREMUKBSSA-N 539.636 4.086 10 10 KICE CSCC[C@@H](NC(=O)c1cc(-c2cccnc2)on1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867166130 PMLGVJGJNRVSQO-OAQYLSRUSA-N 526.574 4.002 10 10 KICE COc1ccc(CCN2C(=O)c3ccc(C(=O)NC(C)(C)C(=O)NC[C@H](c4ccc(N(C)C)cc4)N4CCCCC4)cc3C2=O)cc1 1867500813 LZSCRSISJXTMLC-JGCGQSQUSA-N 639.797 4.452 10 10 KICE CN(C)c1ccc([C@H](CNC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)N2CCCCC2)cc1 1867828376 NPRNKJUOUZTCSF-VMPREFPWSA-N 588.665 4.254 10 10 KICE COCCN1[C@@H](C)CN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(-c3ccc(C)cc3)n2)C[C@@H]1C 1869164134 AIZWITFYTMBFHB-DQEYMECFSA-N 530.717 4.333 10 10 KICE COCCCn1cc(OCc2cccc(Cl)c2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870406622 VYYSKKPJMXCCEZ-UHFFFAOYSA-N 512.050 4.448 10 10 KICE O=C1c2ccccc2C(=O)c2c(NC(=O)c3nc(S(=O)(=O)Cc4ccccc4)ncc3Cl)cccc21 1871278918 AQXFDIGXEGMKBL-UHFFFAOYSA-N 517.950 4.132 10 10 KICE CCN(CC)CCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCN(CC)CC)C1=O 1873167832 ZQDAYZVVNYFKHJ-UHFFFAOYSA-N 507.723 4.227 10 10 KICE O=C1C(=Cc2c(N3CCN(c4ccc(F)cc4)CC3)nc3ccccn3c2=O)SC(=S)N1C1CCCC1 2297464397 YNNIXDVSJPLYLZ-UHFFFAOYSA-N 535.670 4.304 10 10 KICE Cc1cc(Br)c(NC(=O)COc2ccc(C=C3SC(=S)N(CC(=O)O)C3=O)cc2)cc1C 2297576943 APULTUGUIGNVJE-UHFFFAOYSA-N 535.441 4.369 10 10 KICE O=C1C(=Cc2c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)nc3ccccn3c2=O)SC(=S)N1C1CCCCC1 2314399341 QLWQZJUOUAOFCW-UHFFFAOYSA-N 589.743 4.279 10 10 KICE COc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OCc1ccc2c(c1)OCO2 20236901 SZRRRMMVGHWZHQ-FAINKHGOSA-N 512.316 4.216 10 10 KICE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CCCCCC(=O)O)C3=O)c(N3CCN(c4ccccc4F)CC3)nc12 100860389 GXSQVADCOLSMDJ-PTGBLXJZSA-N 595.722 4.315 10 10 KICE COc1ccc(/C=C2/SC(N3CCN(C(=O)CCN4C(=O)/C(=C\c5cccs5)SC4=S)CC3)=NC2=O)cc1 103453918 UCEUHPSCNWAADK-YJKAXRSRSA-N 584.770 4.163 10 10 KICE COC(=O)c1cc(C(=O)OC)cc(N2C(=O)C(O)=C(c3cccc(OC)c3)[C@@H]2c2ccc(N(C)C)cc2)c1 526287638 UJRWGYQXGWNRMG-VWLOTQADSA-N 516.550 4.392 10 10 KICE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCC)=C(N)O2 1864009742 CRAAJCUFRFXMJU-IBGZPJMESA-N 503.386 4.374 10 10 KICE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)N1CCCC[C@@H]1C)[C@H]2c1ccc(O)c(O)c1 1865034394 VWBGSZGGAJBKLJ-AOMKIAJQSA-N 504.587 4.085 10 10 KICE CCOc1ccc(C(=O)N[C@H](CCSC)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867541691 ISBSWQPZMQTUPL-KAYWLYCHSA-N 526.747 4.346 10 10 KICE CC[C@@H](C)OC(=O)c1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCNC(C)=O)C2=O)c1 1873422138 HZCAGKOOGJIVML-OAQYLSRUSA-N 542.636 4.378 10 10 KICE CC(=O)NCCN1C(=O)C(Nc2cccc(OC(C)C)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873424229 NWONNMYDFBBSQL-UHFFFAOYSA-N 500.599 4.209 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(F)c(F)c3F)C(=O)N(CCCN3CCOCC3)C2=O)cc1 1873425778 LGFVGPGGFVQTTM-UHFFFAOYSA-N 538.570 4.426 10 10 KICE O=C1C(=Cc2c(N3CCCCCC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccc2c(c1)OCO2 2314400017 IAVIBUSJOMQZJE-UHFFFAOYSA-N 520.636 4.205 10 10 KICE NS(=O)(=O)c1ccc(NC(=O)CCCCCN2C(=O)C(=Cc3cc(Cl)ccc3O)SC2=S)cc1 2314831724 QQQAILJTGOFFNZ-UHFFFAOYSA-N 540.088 4.093 10 10 KICE CCOc1cc(C=C2SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)ccc1O[C@@H](C)C(=O)O 2314935181 NGZBBFXQZRWKTD-HNNXBMFYSA-N 517.625 4.398 10 10 KICE CCN(CC)C(=O)COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)cc1OC 101745101 OCSPWDAVIKPSDQ-DEDYPNTBSA-N 578.510 4.251 10 10 KICE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CCc4ccccc4)C3=O)c(NCCCn3ccnc3)nc12 102825321 NWGCZXLMKMYPSV-OQKWZONESA-N 530.679 4.146 10 10 KICE Cc1ccccc1OCCOc1ccc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC(C)C)cc1 104561957 BDMUYENKUFCAPM-RDJYZGLESA-N 526.640 4.100 10 10 KICE CCCC[C@H](NC(=O)COc1cc(C)c(Cl)c(C)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862181599 JTSNWAWZBNNLCK-DEOSSOPVSA-N 502.055 4.368 10 10 KICE CCCn1nc(C)c2c1OC(N)=C(C(=O)NCc1cccc(C(F)(F)F)c1)[C@@H]2c1ccc(O)c(O)c1 1864010499 UUBDAIKIUQQUJL-HXUWFJFHSA-N 502.493 4.043 10 10 KICE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)N[C@@H]2CCCC[C@@H]2C)[C@H]3c2ccc(O)c(O)c2)cc1 1864011476 IBDSZAAIGWMCOK-QBFCQJJASA-N 502.615 4.349 10 10 KICE CCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2c(F)cccc2Cl)[C@H]1c1ccc(O)c(O)c1 1864018049 BOECKALLPCYTJI-OAQYLSRUSA-N 514.985 4.308 10 10 KICE Cc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCc3ccccc3C1)=C(N)O2 1865025737 CQTNLONAJICHPZ-SANMLTNESA-N 526.568 4.070 10 10 KICE CCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOc3ccccc31)=C(N)O2 1865035540 WHQUEMRSAOLJNG-RUZDIDTESA-N 542.567 4.164 10 10 KICE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1cccs1 1865328070 SXHMYVSTXDEAFX-IBGZPJMESA-N 547.603 4.425 10 10 KICE COc1ccc(N2CCN(C(=O)c3cc4c(NCCCOC(C)C)ncnc4n3Cc3ccco3)CC2)cc1 1875234715 XMTUYBVMSSHVPT-UHFFFAOYSA-N 532.645 4.271 10 10 KICE CCOC(=O)[C@H](c1ccccc1)N1C(=O)C(=C2C(=O)N(C)c3ccc(Br)cc32)SC1=S 2314768970 MUUPEVCYFMGJJP-KRWDZBQOSA-N 517.426 4.301 10 10 KICE COc1ccc(N2CCN(C(=O)C[C@H](c3ccc(OC)c(OC)c3)N3Cc4ccccc4C3=O)CC2)cc1 20561282 IPMFCMCAKAYWIU-AREMUKBSSA-N 515.610 4.148 10 10 KICE O=C1[C@@H]2[C@@H](c3ccc(Br)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccccc1[N+](=O)[O-] 250871009 ZDAIVGQOPILOPN-PCCBWWKXSA-N 547.317 4.052 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 1084275503 ATNQJBYFKLZUJN-NDEPHWFRSA-N 629.651 4.473 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)CCCOc3ccccc3C)c3ccccc3)CC2)cc1 1862231269 TVOONPSWYOODST-LJAQVGFWSA-N 501.627 4.369 10 10 KICE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccs1)=C(N)O2 1864007161 HCKIZASIEMUJMZ-OAQYLSRUSA-N 508.987 4.318 10 10 KICE NC1=C(C(=O)NCc2ccncc2)[C@@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3ccccc3)c2O1 1864014211 PKWMSKIABYHPMS-VWLOTQADSA-N 531.572 4.357 10 10 KICE Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCc1c[nH]c3ccccc13)[C@@H]2c1ccc(O)c(O)c1 1864016841 YMYTUIXFDAEWPH-XMMPIXPASA-N 521.577 4.033 10 10 KICE COc1cccc2c1C(=O)N([C@H](C(=O)Nc1cccc3c1C(=O)c1ccccc1C3=O)c1ccccc1)C2=O 1865841289 VZQAPDNAPRWECT-SANMLTNESA-N 516.509 4.447 10 10 KICE CC[C@H](C)N1C(=O)c2ccc(C(=O)N[C@](C)(CC)C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O 1867582396 BZBOJCCMYOGDDK-HYMUSKODSA-N 575.754 4.389 10 10 KICE CCN(CC)CCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccc(OC)c(OC)c2)C1=O 1873169232 GLLRZOXOELLXFE-UHFFFAOYSA-N 530.669 4.323 10 10 KICE COc1cc(C=C2C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 2294133723 DGKXZXVVTXNMHM-UHFFFAOYSA-N 501.495 4.466 10 10 KICE Cc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCC(C)C)=C(N)O2 1864008282 HLELLWQNRJHGOH-NRFANRHFSA-N 527.419 4.211 10 10 KICE Cc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)c1ccccc1)=C(N)O2 1864011738 KTJGRUYHWBLHKM-CPJLOUKISA-N 514.557 4.362 10 10 KICE CCCCCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2CCC)[C@@H]1c1ccc(O)c(O)c1 1864017821 WCDGQIYCJMTLBX-QFIPXVFZSA-N 506.603 4.381 10 10 KICE COc1ccc(CCC(=O)Nc2nc(N3CCN(c4ccc(OC)cc4)CC3)nn2-c2ccccc2)cc1 1869970428 RTSSGOKKTBRQDE-UHFFFAOYSA-N 512.614 4.182 10 10 KICE CCCOC(=O)c1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCN3CCOCC3)C2=O)c1 1873425662 KBARGQYCXWBIAE-UHFFFAOYSA-N 556.663 4.185 10 10 KICE COCCCn1c(C(=O)Nc2ccccc2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873650624 XIQMHGKJVHVYQJ-UHFFFAOYSA-N 500.603 4.055 10 10 KICE COCCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCc3cccc(C)c3)ncnc21 1875221255 HEMJAQIHKHRPBM-UHFFFAOYSA-N 528.657 4.359 10 10 KICE CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OCCCOc4ccc(C)c(C)c4)cc3)C(=N)N21 2297345674 REJCDSRQJZHHNN-UHFFFAOYSA-N 526.640 4.163 10 10 KICE CCCNc1nc2ccc(C)cn2c(=O)c1/C=C1/SC(=S)N(CCc2ccc(OC)c(OC)c2)C1=O 33524695 WQFYIOIGTRWKBE-KGENOOAVSA-N 524.668 4.286 10 10 KICE C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)CCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)[C@@H]2CCS(=O)(=O)C2)o1 101911365 RBINRFGENLDREK-XFCXFMAGSA-N 562.710 4.349 10 10 KICE CCOCCCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(CCc2ccc(OC)c(OC)c2)C1=O 105763241 XRIMXPVIOMDUMO-QJOMJCCJSA-N 568.721 4.303 10 10 KICE CC(C)c1nc2c(Cl)cc(C(F)(F)F)cn2c1/C=C1/SC(=S)N([C@H](CC(=O)O)C(=O)O)C1=O 1858596678 YMIVILBYFCSXIC-DWGGBAKOSA-N 521.926 4.259 10 10 KICE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1nc3ccccc3[nH]1)=C(N)O2 1864011184 RFLGCRKIHLGJQA-RUZDIDTESA-N 536.592 4.123 10 10 KICE CCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(F)cc1)=C(N)O2 1864019209 WEVLTHZDUJHMEI-XMMPIXPASA-N 532.547 4.194 10 10 KICE C[C@@H]1CCCCN1C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1865032158 WYQKXNSCMVIDHK-KUHUBIRLSA-N 514.504 4.398 10 10 KICE CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CC(=O)N(c3ccc(N4CCCC4)cc3)C2)N2CCCCC2)cc1 1866279104 OCPIXPCRJIMYCW-RBJSKKJNSA-N 503.691 4.049 10 10 KICE COCCCN1C(=O)c2ccc(C(=O)N[C@@H](Cc3ccc(F)cc3)C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O 1867514143 BUQZJXYWJWXIIF-JHOUSYSJSA-N 657.787 4.209 10 10 KICE C[C@H](NC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867525966 XFPGTTNHMKBNEM-PZGXJGMVSA-N 573.738 4.143 10 10 KICE COc1ccc(N2CCN(c3nc(=NCc4ccc(C)cc4)[nH]c(=Nc4cc(C)cc(C)c4)[nH]3)CC2)cc1 1871550820 FAFHMMSPFNLZEZ-UHFFFAOYSA-N 509.658 4.332 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3cn(C)c4ccccc34)C(=O)N(CCCN(C)C)C2=O)cc1 1873162276 NVNDPXHTDFSLHB-UHFFFAOYSA-N 523.681 4.450 10 10 KICE COc1ccc(OCCN2C(=O)C(NCCCn3ccnc3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873168511 XQLHENIINVXBAM-UHFFFAOYSA-N 539.636 4.138 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)c3ccccc3F)CC2)cc1 1874642844 OIUVFUKNIZBWGG-MHZLTWQESA-N 500.574 4.006 10 10 KICE COc1cc(S(=O)(=O)Nc2ccccc2C)ccc1NC=C1C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O 2297511355 DVENEPNQGVCFTA-UHFFFAOYSA-N 540.985 4.037 10 10 KICE CCCC[C@H](CC)CN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2N2CCOCC2)SC1=S 39989621 XBLXGLXZOGOYEQ-SBGXLDQMSA-N 502.706 4.303 10 10 KICE CCCCCCN1C(=O)/C(=C\c2c(N3CCN(C(=O)OCC)CC3)nc3c(C)cccn3c2=O)SC1=S 100849771 RCKYNSJICFJMJQ-LVZFUZTISA-N 543.715 4.063 10 10 KICE CCN1C(=O)/C(=C2\SC(=S)N([C@@H](C(=O)OC)c3ccccc3)C2=O)c2cc(Br)ccc21 101737155 KOIAMTLKPLVMAP-FXBHHXAOSA-N 517.426 4.301 10 10 KICE CCOCCOC(=O)c1ccc(N2C(=O)C(O)=C(c3cccc(OC)c3)[C@H]2c2ccc(O)c(O)c2)cc1 526566655 KTQGOLQIRUMWDG-RUZDIDTESA-N 505.523 4.357 10 10 KICE COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)c(C)c3C)C2=O)cc(I)c1OC 1084001981 RRVUTUSHCLJIQK-QPEQYQDCSA-N 585.192 4.354 10 10 KICE CCCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC(c1ccccc1)c1ccccc1)=C(N)O2 1864010182 JNLNHGQMOSMZEA-DEOSSOPVSA-N 510.594 4.384 10 10 KICE CCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN(CC)CC)=C(N)O2 1864019621 NPNWESQSFNLCTO-SANMLTNESA-N 547.700 4.146 10 10 KICE COc1ccccc1-c1nc(CC(=O)N[C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c(C)o1 1866669377 DJMCVNWXJROYOH-MRXNPFEDSA-N 523.545 4.120 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)Cc3ccc4nc(O)c(C(C)C)cc4c3)C(C)C)CC2)cc1 1868910929 UYNLFNUFJMENLV-NDEPHWFRSA-N 518.658 4.105 10 10 KICE COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCO[C@H](c3ccc(Cl)cc3)C2)n1 1869117535 FSRXFIRKPRIVIF-VWLOTQADSA-N 524.065 4.232 10 10 KICE CCOCCCN1C(=O)C(Nc2ccc(N3CCN(C)CC3)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422677 JMCYIONXZVSSEB-UHFFFAOYSA-N 541.696 4.465 10 10 KICE COc1ccc(N2CCN(CCC(=O)c3ccc(OC(=O)c4c(OC)cccc4OC)cc3)CC2)cc1 1874742015 UUJCIUZVTNEIKY-UHFFFAOYSA-N 504.583 4.327 10 10 KICE CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)ccc1O[C@H](CC)C(=O)O 2314933471 BPZUNEIZDBQPOC-QGZVFWFLSA-N 500.598 4.182 10 10 KICE CCn1c(N2CCCCC2)c(/C=C2/SC(=S)N(CCc3ccc(OC)cc3)C2=O)c(C)c(C#N)c1=O 33470075 YJPGZRVHTGHDEU-XQNSMLJCSA-N 522.696 4.491 10 10 KICE Cc1c(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)c(N2CCN(c3ccc(F)cc3)CC2)n(C)c(=O)c1C#N 110520438 XDKQVSCXWJJWQR-WGARJPEWSA-N 603.701 4.161 10 10 KICE Cc1c(N2C(=O)/C(=C/c3c(N4CCN(c5ccc(F)cc5)CC4)nc4ccccn4c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C 150590045 RWYGZVOBTLFYMS-QOMWVZHYSA-N 653.765 4.364 10 10 KICE COc1cc(N2C(=O)C(O)=C(c3cccc(OC)c3OC)[C@@H]2c2ccc(O)c(O)c2)cc(OC)c1OC 526633986 YFWQOUYVIYGJAK-QHCPKHFHSA-N 509.511 4.198 10 10 KICE CC[C@@](C)(NC(=O)CCc1ccc(Br)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861952255 SOPJTKPYGUBCDC-RUZDIDTESA-N 502.453 4.024 10 10 KICE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCC1)=C(N)O2 1864011900 ZWQSQUMQJMDKFI-DEOSSOPVSA-N 518.614 4.388 10 10 KICE CCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCC(C)C)=C(N)O2 1864020067 VLBYDBFUHREYEM-HXUWFJFHSA-N 527.419 4.075 10 10 KICE CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(CCC)nn2Cc2cc(C)ccc2C)[C@H]1c1ccc(O)c(O)c1 1865031122 ZHWWUTUGVAYONZ-AREMUKBSSA-N 548.684 4.228 10 10 KICE CCCC[C@@H](NC(=O)CCc1csc(-c2ccccn2)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868908781 RNDGUNPQHFIOAZ-RUZDIDTESA-N 521.687 4.170 10 10 KICE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccc(C)cc4)cn3CCCCCO)CC2)cc1 1870768855 RNXGPTPPFWEFRY-UHFFFAOYSA-N 505.659 4.229 10 10 KICE CCOc1cccc(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N2CCN(c3ccc(OC)cc3)CC2)c1 1874642893 PUVUHYRKOVCIOL-GDLZYMKVSA-N 526.637 4.265 10 10 KICE Cc1cccc(OCCCn2cc(C=C3C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)c3ccccc32)c1 2297345302 KKPBSCWOKBFYOU-UHFFFAOYSA-N 521.624 4.040 10 10 KICE Cc1ccc(/C=C2\SC(=S)N(CCC(=O)N(Cc3ccc(N4CCCCC4)o3)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 101909588 RLCPCCFSPJAOBD-YMLINEMLSA-N 587.789 4.386 10 10 KICE CCOc1cc(/C=C2\C(=N)N3N=C(c4ccncc4)SC3=NC2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 102470426 HLMVVSVPNVLRDU-VTGHKQSHSA-N 547.618 4.224 10 10 KICE CCCn1c(NCCc2ccc(OC)c(OC)c2)c(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c(C)c(C#N)c1=O 143300982 RWAMJLRZTUVVLX-UQEONJGVSA-N 582.748 4.490 10 10 KICE COC(=O)c1ccc(C(=O)OC)c(N2C(=O)C(O)=C(c3ccc(Cl)cc3)[C@@H]2c2ccc(O)c(O)c2)c1 526602132 YBOHHSQGJOIHTN-QFIPXVFZSA-N 509.898 4.382 10 10 KICE CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(Br)c(Br)c1O 1083968681 WFNZMSNEBHZLKH-GHXNOFRVSA-N 528.128 4.121 10 10 KICE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)N[C@@H]2CCCC[C@H]2C)[C@@H]3c2ccc(O)c(O)c2)cc1 1864011473 IBDSZAAIGWMCOK-IUBQTAPSSA-N 502.615 4.349 10 10 KICE CC(C)CNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2Cl)[C@H]1c1ccc(O)c(O)c1 1864014998 HSRCOCDKCWANHZ-GOSISDBHSA-N 536.938 4.482 10 10 KICE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NCc1cccs1)[C@H]2c1ccc(O)c(O)c1 1864017507 NWTLBNRYJMTSQW-QFIPXVFZSA-N 532.622 4.452 10 10 KICE CCc1nn(CC)c2c1[C@@H](c1cn(C)c3ccccc13)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865363608 DMEWZOXEZXQLDH-AREMUKBSSA-N 540.668 4.009 10 10 KICE CC(=O)Oc1ccc(C(=O)N[C@H](C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c2ccccc2)cc1 1867718371 FBECMEMPXJQXEG-IHLOFXLRSA-N 542.680 4.492 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H](Cc3ccncc3)c3ccccc3)CC2)cc1 1868673668 PWXSKXUFBFKDND-ACHIHNKUSA-N 564.686 4.198 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)C[C@@H](c3ccccc3)C3CC3)CC2)cc1 1868681007 BAQGZKBCEHKORC-XZWHSSHBSA-N 527.665 4.361 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCN[C@H](c5ccc(F)cc5)C4=O)nc(Cc4ccccc4)n3)CC2)cc1 1869080063 UIBHKMHJJCEWLX-WJOKGBTCSA-N 552.654 4.219 10 10 KICE CCN1CCN(c2nc3c(C)cccn3c(=O)c2C=C2SC(=S)N([C@@H](C)c3ccccc3)C2=O)CC1 2296696363 LRIIOQAVIXFRHU-IBGZPJMESA-N 519.696 4.107 10 10 KICE CCN(CC)C(=O)Cn1cc(C=C2C(=O)N(CC)c3ccc(S(=O)(=O)N4CCOCC4)cc32)c2cc(Br)ccc21 2297508979 FAGYSCZHIBSDQX-UHFFFAOYSA-N 629.577 4.200 10 10 KICE Cc1ccc2nc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)c(C=C3SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(=O)n2c1 2297578895 MPODQFWJABIQIJ-UHFFFAOYSA-N 655.758 4.184 10 10 KICE COc1cc(/C=C2\SC(=S)N(CC(=O)Nc3nc4ccccc4s3)C2=O)cc(OC)c1OC 33396703 XRXJJQVVKJZHGL-YVLHZVERSA-N 501.611 4.162 10 10 KICE COc1ccc(CCN2C(=O)/C(=C\c3c(NC[C@H](O)c4ccccc4)nc4ccccn4c3=O)SC2=S)cc1 102687524 NTLYRHUEUUAPOV-HHEUTOACSA-N 558.685 4.293 10 10 KICE O=C1/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCCC3)c2)SC(=S)N1[C@H]1CCS(=O)(=O)C1 150657787 XCLYGXWXSSCAQZ-VAHWYXDJSA-N 628.823 4.102 10 10 KICE COc1ccc(N2CCN3c4ccc(C(F)(F)F)cc4C[C@H](C(=O)N4C[C@H](C)O[C@H](C)C4)[C@@H]3C2)cc1 248153769 YDAJVNQZJOUXIT-PJCFOSJUSA-N 503.565 4.217 10 10 KICE COC(=O)[C@H](NC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21)c1ccccc1 1616127704 YNDVIWIPQPIHJV-XRKRLSELSA-N 522.605 4.209 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)CCCOc3cc(C)c(Cl)c(C)c3)CC2)cc1 1862225807 WFWVENFGZPWKCS-VWLOTQADSA-N 514.066 4.464 10 10 KICE COc1ccccc1CNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(Cl)cc2)[C@@H]1c1ccc(O)c(O)c1 1864007452 NDRYPJGJNGZRST-DEOSSOPVSA-N 532.984 4.265 10 10 KICE CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOc1ccccc1)=C(N)O2 1864010852 PPZPOUMMSJDYEE-AREMUKBSSA-N 540.620 4.434 10 10 KICE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(F)cc1)=C(N)O2 1864011166 QYFWCZPLVYSPLV-RUZDIDTESA-N 544.583 4.395 10 10 KICE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(F)cc1)=C(N)O2 1864014456 VLBJQFKJKSQYFI-HSZRJFAPSA-N 508.594 4.095 10 10 KICE CCc1ccc([C@H](C)NC(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3CC)[C@H]2c2ccc(O)c(O)c2)cc1 1864022032 JEPVDNKGOKJZQQ-ORAYPTAESA-N 516.520 4.467 10 10 KICE CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1cn(C)c2ccccc12 1865361187 XRAPDWDVRVEZNW-MHZLTWQESA-N 540.668 4.145 10 10 KICE CC1(C)C(=O)N(CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c2ccc(Br)cc21 1871333346 RAWVHNRKCBYHLK-UHFFFAOYSA-N 503.352 4.487 10 10 KICE CCCN=c1nc(Nc2ccc(Br)cc2C)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871564951 ICHGFRBJBYEEQZ-UHFFFAOYSA-N 512.456 4.265 10 10 KICE Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1C=C1C(=O)NC(=O)N([C@@H](C)C23CC4CC(CC(C4)C2)C3)C1=O 2297549624 RDFLIWZJKKGHBZ-BBXRDKHSSA-N 517.586 4.464 10 10 KICE COCCCNc1nc2ccccn2c(=O)c1C=C1SC(=S)N(Cc2ccccc2Cl)C1=O 2314414257 UPNSBRPELIFEMP-UHFFFAOYSA-N 501.033 4.198 10 10 KICE O=C(O)C[C@@H](C(=O)O)N1C(=O)C(=Cc2cc(Cl)ccc2OCC(=O)Nc2ccc(Cl)cc2)SC1=S 2314842284 MBFQVOHVKKYMAG-HNNXBMFYSA-N 555.417 4.140 10 10 KICE Cc1c(NC(=O)CCN2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)c(=O)n(-c2ccccc2)n1C 1090095 KRNNWQAOZWIDBP-RGEXLXHISA-N 513.044 4.368 10 10 KICE CCCCn1c(NCc2ccc3c(c2)OCO3)c(/C=C2\SC(=S)N(CC)C2=O)c(C)c(C#N)c1=O 40066983 CMLBDLIADQAQBG-NHDPSOOVSA-N 510.641 4.390 10 10 KICE C[C@H]1CN(c2ccc([N+](=O)[O-])c(COCc3cc(N4C[C@H](C)O[C@H](C)C4)ccc3[N+](=O)[O-])c2)C[C@@H](C)O1 71791790 DLPGFKKHSFLVOS-FGYAAKKASA-N 514.579 4.447 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)/C=C/c3ccc(C)cc3)CC2)cc1 1861944619 YBILPNXNJPZBBH-CRQXQDGGSA-N 501.602 4.232 10 10 KICE Cc1ccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3Cc3ccc(C)cc3)[C@H]2c2ccc(O)c(O)c2)cc1 1864008258 GSIBWZMDGIPPOG-AREMUKBSSA-N 510.594 4.279 10 10 KICE Cc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(F)cc1)=C(N)O2 1864011268 FKEMCRXKHANMJS-DEOSSOPVSA-N 534.975 4.455 10 10 KICE CN(C)CCCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1864014617 ZFLAMUJYAGMONN-VWLOTQADSA-N 539.636 4.103 10 10 KICE CCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(F)cc1)=C(N)O2 1864017493 NRKLKYKLYGZUOV-XMMPIXPASA-N 530.556 4.005 10 10 KICE COc1ccc(-c2nn(C)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)N[C@@H](C)c2ccccc2)=C(N)O3)cc1 1864021660 FBBMAESQBSFWQY-QMHKHESXSA-N 512.566 4.079 10 10 KICE NC1=C(C(=O)N2CCCC2)[C@@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(Cc3ccccc3Cl)c2O1 1865034487 XPUAISWVMSCYQA-SFHVURJKSA-N 534.922 4.332 10 10 KICE CCCC[C@@H](NC(=O)C[C@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868692805 GMFJTWIDNCXZPO-RRPNLBNLSA-N 535.685 4.374 10 10 KICE CCCc1nc(N2CCC(CS(=O)(=O)c3ccccc3)CC2)cc(N2CCN(c3ccc(OC)cc3)CC2)n1 1869216181 KTOSGOURYMITRK-UHFFFAOYSA-N 549.741 4.455 10 10 KICE COc1ccc(OC)c(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C3CCN(C)CC3)C2=O)c1 1873427765 ZWEQFXPKKORAOO-UHFFFAOYSA-N 514.626 4.398 10 10 KICE Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(N2CCOCC2)cc1 2313624440 SIJNCWYSZPSHGF-UHFFFAOYSA-N 504.974 4.251 10 10 KICE COc1ccc(CCN2C(=O)C(=Cc3c(N4CCN(Cc5ccc6c(c5)OCO6)CC4)nc4ccccn4c3=O)SC2=S)cc1OC 2314399381 VQJMJYKWSPWWKT-UHFFFAOYSA-N 671.801 4.207 10 10 KICE CC(C)c1nc2c(Cl)cc(C(F)(F)F)cn2c1C=C1SC(=S)N([C@@H](CC(=O)O)C(=O)O)C1=O 2323831521 YMIVILBYFCSXIC-NSHDSACASA-N 521.926 4.259 10 10 KICE CN1C(=O)/C(=C/c2cn(CCOc3ccc(F)cc3)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 101378691 HMLCWUFAACQLFN-OVVQPSECSA-N 561.635 4.397 10 10 KICE COCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)SC1=S 110558189 GTLQZVJKTAWERK-VHEBRAQUSA-N 598.772 4.185 10 10 KICE Cc1c(/C=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c(N2CCC[C@@H](C)C2)n(C)c(=O)c1C#N 137680376 AFPFQVNLCADLFT-NQRZERFFSA-N 574.732 4.005 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccc(C(=O)OCC)cc4)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 252667118 CTKPUFPLWSOYBG-MUUNZHRXSA-N 585.682 4.301 10 10 KICE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCc1cccs1)[C@@H]2c1ccc(O)c(O)c1 1864015934 GUAQECWYMBVBMU-JOCHJYFZSA-N 516.623 4.486 10 10 KICE Cc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCC1)=C(N)O2 1865027310 GLPVFLXLAHFLKO-NRFANRHFSA-N 525.403 4.062 10 10 KICE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)Cc3ccc4nc(O)c(Cc5ccccc5)cc4c3)CC2)cc1 1868935887 OOIQVWNBYVQLFK-UHFFFAOYSA-N 552.675 4.326 10 10 KICE CCc1ccc(COc2cn(C[C@@H]3CCCO3)c(CN3CCN(c4ccc(OC)cc4)CC3)cc2=O)cc1 1870464269 BVGUZFZTORJSGE-LJAQVGFWSA-N 517.670 4.500 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3cnc[nH]3)C(=O)N(CCCc3nc4ccccc4[nH]3)C2=O)cc1 1873168670 FJLPUQQIZXNMIW-UHFFFAOYSA-N 533.636 4.239 10 10 KICE CCOc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4cccc(C(=O)O)c4)c(OC)c3)C2=O)c1 2294093792 QCZLNUHMHQBOSB-UHFFFAOYSA-N 516.506 4.038 10 10 KICE CCOc1cc(-c2nc3sc(=Cc4ccc(N(CC)CC)cc4)c(=O)n3n2)cc(OCC)c1OCC 2326211509 IFUVZUVLQWYWLL-UHFFFAOYSA-N 508.644 4.408 10 10 KICE O=C1/C(=C/c2c(N3CCCCCC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccc2c(c1)OCO2 33467579 IAVIBUSJOMQZJE-STZFKDTASA-N 520.636 4.205 10 10 KICE Cc1ccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(S(=O)(=O)CC(C)C)SC4=NC3=O)cc2)cc1 101399403 GETCRECGLXSUNX-SMKDVUIYSA-N 526.640 4.100 10 10 KICE Cc1c(/C=C2/SC(=S)N(Cc3ccco3)C2=O)c(N2CCN(c3ccccc3F)CC2)n(C)c(=O)c1C#N 105635044 SHXYFSUVOHQAMS-OEAKJJBVSA-N 549.653 4.026 10 10 KICE COc1ccc(CNc2c(/C=C3\SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(C)c(C#N)c(=O)n2C)cc1 143283947 NIDFJFWEERXHLP-MYYYXRDXSA-N 612.737 4.390 10 10 KICE COc1ccc([C@H](C)NC(=O)C2=C(N)Oc3c(c(C)nn3-c3ccc(C)cc3)[C@H]2c2ccc(O)c(O)c2)cc1 1864008730 QSNSGCWTTJJVRP-MRDQGFSESA-N 526.593 4.481 10 10 KICE Cc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(Cl)c1)=C(N)O2 1864010505 UWJIOZAGCGNLLX-XMMPIXPASA-N 534.975 4.455 10 10 KICE NC1=C(C(=O)NCc2cccs2)[C@@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3ccccc3)c2O1 1864015984 YCICGCYYSOUBAO-SFHVURJKSA-N 528.512 4.375 10 10 KICE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C)C1)=C(N)O2 1865030727 PLCGIYSNFJVPMR-MZNJEOGPSA-N 520.605 4.387 10 10 KICE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)N(C)C1CCCCC1)[C@H]2c1ccc(O)c(O)c1 1865034251 SBJKAQLFPFATKQ-QHCPKHFHSA-N 518.614 4.476 10 10 KICE CC[C@H](NC(=O)CCS(=O)(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866812958 LTOXTPOJNQDIDU-DEOSSOPVSA-N 560.672 4.457 10 10 KICE O=C(Nc1ccc(F)c(F)c1)C(=O)N[C@@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1 1866857829 STVVPKXSEPBDBA-RUZDIDTESA-N 539.494 4.175 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)Cc3nc(-c4ccccc4C)oc3C)CC2)cc1 1868630516 QDZTZJNODFGQGV-RUZDIDTESA-N 536.698 4.096 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3sc(CNC(=O)OC(C)(C)C)nc3C)c3ccccc3)CC2)cc1 1868922104 ZKEXADNUSXWFAF-RUZDIDTESA-N 579.723 4.305 10 10 KICE CC[C@@H](C)NC(=O)COc1cn(CCCN(C)C)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870961546 ZIGKNECNDIFHSN-JOCHJYFZSA-N 505.663 4.449 10 10 KICE Cc1cc(C)cc(OCCN2C(=O)C(NCCCN(C)C)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)c1 1873165708 QMFPWJCOPXVXGB-UHFFFAOYSA-N 514.670 4.411 10 10 KICE O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1cccc(OCCOc2ccc([N+](=O)[O-])cc2)c1 2293618342 SUVCEJWSQPVDHZ-UHFFFAOYSA-N 507.886 4.372 10 10 KICE CN(C)S(=O)(=O)n1cc(C=C(NC(=O)c2ccccc2Cl)C(=O)N2CCc3ccccc32)c2ccccc21 2297359108 SSYOGRNOANZROZ-UHFFFAOYSA-N 549.052 4.309 10 10 KICE Cc1ccc(C=C2SC(=S)N(CCC(=O)N(Cc3ccc(N4CCCCC4)o3)[C@H]3CCS(=O)(=O)C3)C2=O)cc1 2314829220 RLCPCCFSPJAOBD-QFIPXVFZSA-N 587.789 4.386 10 10 KICE CCC1=NN(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(OCCN2CCOCC2)c(OC)c1 2332106581 IQLNOPXYPUPZEF-UHFFFAOYSA-N 514.420 4.365 10 10 KICE COc1cc(C(=O)NN2C(=O)c3cc(Cl)ccc3N[C@@H]2c2ccc(N(C)C)cc2)cc(OC)c1OC 39920009 CMHYQZWCIYUICW-DEOSSOPVSA-N 510.978 4.343 10 10 KICE CN(C)c1ccc([C@@H]2CC(c3cccc(Br)c3)=NN2C(=O)CSc2nnc(N)s2)cc1 72413099 HQGMBNQKZYFSFB-SFHVURJKSA-N 517.478 4.419 10 10 KICE CCN1C(=O)/C(=C2\SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)c2cc(Br)ccc21 101744219 KAJXSXLGNNMOTN-NXVVXOECSA-N 522.833 4.385 10 10 KICE Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C2\SC(=S)N(CCC(=O)O)C2=O)cc1 101964760 DQKSPAGXMGCTOQ-WQRHYEAKSA-N 535.441 4.451 10 10 KICE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(CC)CC)=C(N)O2 1864011246 SEOMCJUNJZYBGE-HSZRJFAPSA-N 540.064 4.042 10 10 KICE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1)=C(N)O2 1864011418 UIPPIMYUPSUIJC-RUZDIDTESA-N 526.593 4.256 10 10 KICE CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(Cc3ccc(C)cc3)CC1)=C(N)O2 1865030633 NIKVKNOXWVZBAJ-SANMLTNESA-N 545.684 4.004 10 10 KICE CCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C)CC1)=C(N)O2 1865032764 KBUYUKUTFPIZDP-JOCHJYFZSA-N 509.006 4.452 10 10 KICE CCN(CC)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(F)cc2)[C@@H]1c1ccc(O)c(O)c1 1865034083 OMQKPVFSECHCAO-SFHVURJKSA-N 520.483 4.064 10 10 KICE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4CC(C)C)[C@H]3c3ccc(F)cc3F)CC2)cc1 1865414712 DUBIBPQUKIJYFQ-RUZDIDTESA-N 537.611 4.178 10 10 KICE C[C@H](NC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867420871 LMKUZEWIIWJZFN-DLLPINGYSA-N 595.744 4.053 10 10 KICE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1cc(Cl)cc(Br)c1O 2313559863 ZKEJWASDPQHZFL-UHFFFAOYSA-N 500.530 4.237 10 10 KICE CCOc1cc(/C=C2/C(=O)N(c3cccc(C(=O)O)c3)N=C2C(F)(F)F)c(Br)cc1OCC(=O)O 101603095 FFTVXYQSQUBAJB-VGOFMYFVSA-N 557.275 4.358 10 10 KICE O=C1NC(=S)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1cn(CC(=O)N2CCCC2)c2ccccc12 102044491 APICNQWSUMRFFM-UKWGHVSLSA-N 527.433 4.402 10 10 KICE Cc1cc(OCCCOc2ccc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2)ccc1Cl 104559167 OPQRAMXUTGCJNW-RBRHTRMMSA-N 533.031 4.118 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)CCCOc3ccc(C)cc3)c3ccccc3)CC2)cc1 1862214188 GGHGUUMRZHIOCH-LJAQVGFWSA-N 501.627 4.369 10 10 KICE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC(C)C)=C(N)O2 1864009931 FWXSKPNXPMZNDW-HXUWFJFHSA-N 527.419 4.218 10 10 KICE NC1=C(C(=O)NCc2ccccc2)[C@@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(Cc3ccccc3)c2O1 1864015624 SZKPOYPNWGOIJP-NRFANRHFSA-N 536.510 4.372 10 10 KICE CCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1F)=C(N)O2 1864019587 MUZAMETYLRFRLV-VWLOTQADSA-N 528.584 4.364 10 10 KICE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N2CCc4ccccc4C2)[C@@H]3c2ccc(O)c(O)c2)cc1 1865028520 WIVSXVRJOPEKTF-AREMUKBSSA-N 508.578 4.180 10 10 KICE C[C@@H]1CN(C(=O)C2=C(N)Oc3c(c(-c4ccccc4)nn3-c3ccccc3)[C@@H]2c2ccc(O)c(O)c2)C[C@@H](C)O1 1865030817 RPMCDZKWUDUCTQ-RRQZXNHTSA-N 538.604 4.281 10 10 KICE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)N(C)Cc1ccccc1)[C@H]2c1ccc(O)c(O)c1 1865033680 FZQQYUSGMIDPIR-DEOSSOPVSA-N 526.593 4.343 10 10 KICE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)cccc21 1866877320 HGWVGZQUCPTWNZ-DFHRPNOPSA-N 557.606 4.181 10 10 KICE CCN(CC)CCNc1ncnc2c1cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2Cc1ccccc1 1875218671 WKUWYKABZRCIOF-UHFFFAOYSA-N 541.700 4.204 10 10 KICE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC(NCc2cc(Br)ccc2O)C1 2250348014 ZLLIZJYEXASVTN-UHFFFAOYSA-N 500.434 4.101 10 10 KICE COc1ccc(CCN2C(=O)C(=Cc3c(NCc4ccco4)nc4ccccn4c3=O)SC2=S)cc1OC 2296709435 NQKVQCQCJGUTCG-UHFFFAOYSA-N 548.646 4.361 10 10 KICE COC(=O)c1c(-n2c(C)cc(C=C3C(=O)N(C)c4ccc(S(=O)(=O)N5CCOCC5)cc43)c2C)sc(C)c1C 2297509089 UZWGHHQSOQDAGV-UHFFFAOYSA-N 569.705 4.097 10 10 KICE COc1ccc(C=C2SC(=S)N(CC(=O)Nc3sc4c(c3C(=O)NCc3cccnc3)CCC4)C2=O)cc1 2314603355 PFOPKFUWWKIWHW-UHFFFAOYSA-N 564.714 4.410 10 10 KICE CN1C(=O)/C(=C/c2cn(CCOc3ccccc3F)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 101378728 UUZYUAOMQXXEDT-XIEYBQDHSA-N 561.635 4.397 10 10 KICE Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(N3CCC[C@H](C)C3)nc12 110078119 WPEYGQDHYLJLIQ-BDQMVGTNSA-N 534.663 4.369 10 10 KICE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCC1)=C(N)O2 1864013109 QGTBMIIMXKHWSH-XMMPIXPASA-N 502.615 4.357 10 10 KICE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)N1CCCC[C@@H]1C)[C@@H]2c1ccc(O)c(O)c1 1865034370 VDYJKBBXJJOBFX-GAJHUEQPSA-N 518.614 4.476 10 10 KICE CCCC[C@@H](NC(=O)c1c(OC)cccc1OC)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867365774 WIGZUXZQPXVAGY-JWQCQUIFSA-N 524.706 4.402 10 10 KICE COc1cc(C(=O)N[C@H](C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c2ccccc2)c([N+](=O)[O-])cc1OC 1867804841 LNRPYJIFWCRPHI-FIBWVYCGSA-N 589.693 4.493 10 10 KICE CCN(CC)CCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCOc2ccc(OC)cc2)C1=O 1873169794 VMEXCOFOUDIPQW-UHFFFAOYSA-N 530.669 4.193 10 10 KICE COc1ccc(N2CCN(C(=O)c3cc4c(NCCCOC(C)C)ncnc4n3CC(C)C)CC2)cc1 1875210255 QUVXMDLFIAZJAD-UHFFFAOYSA-N 508.667 4.285 10 10 KICE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1cc(Cl)c(O)c(Br)c1 2313559677 LFOCPTWWSTWQRZ-UHFFFAOYSA-N 500.530 4.237 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)C(C)=Cc3ccccc3Cl)CC2)cc1 2330098277 HXRGNJLYRSXNNL-DEOSSOPVSA-N 502.080 4.339 10 10 KICE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCc4ccccc4C)c(Cl)c3)C(=N)N21 20206847 XBEKSZMWACTJBE-KMFLQCEESA-N 503.005 4.239 10 10 KICE Cc1ccc2nc(NC3CC(C)(C)NC(C)(C)C3)c(/C=C3/SC(=S)N(C[C@@H]4CCCO4)C3=O)c(=O)n2c1 96022161 GIFWCKIBRKXJAS-PQFHHTBUSA-N 541.743 4.104 10 10 KICE CCOCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2N2CCN(c3ccccc3)CC2)SC1=S 110522907 XFWBGZIDTFPQBL-MOHJPFBDSA-N 551.738 4.003 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OCc4ccc(C(=O)O)cc4)cc3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 252668226 DZZGCYCFYKRHAI-GDLZYMKVSA-N 597.693 4.142 10 10 KICE O=C1NC(=O)N(c2cccc(Br)c2)C(=O)/C1=C\c1ccccc1OCc1ccc(C(=O)O)cc1 1083915954 VLAWJLONNQAEIJ-NDENLUEZSA-N 521.323 4.393 10 10 KICE COC(=O)COc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1I 1084536610 ZEJDRDDVMLVXGO-MLPAPPSSSA-N 664.044 4.034 10 10 KICE CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccs1)=C(N)O2 1864018521 MUNSZCYEDPEDCE-QFIPXVFZSA-N 520.586 4.117 10 10 KICE Cc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCCC1)=C(N)O2 1865026582 PYYSNSYIDMBLMX-HSZRJFAPSA-N 509.006 4.402 10 10 KICE CN(CCO)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc3ccccc23)[C@H]1c1ccc(O)c(O)c1 1865031296 DQCWXGVBLHPVCZ-AREMUKBSSA-N 548.599 4.249 10 10 KICE CCCC[C@H](NC(=O)c1c(OC)cccc1OC)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867365775 WIGZUXZQPXVAGY-LOSJGSFVSA-N 524.706 4.402 10 10 KICE COc1cc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c([N+](=O)[O-])cc1OC 1867802605 UIMRTBJIVZLGBR-YTMVLYRLSA-N 619.719 4.068 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)[C@H](Cc3ccccn3)c3ccccc3)CC2)cc1 1868666020 ZZXDUSKAYGNAOS-VSGBNLITSA-N 532.710 4.003 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)CCc3nc(-c4ccc(F)cc4)cs3)CC2)cc1 1868911734 GJMVTXLQBZQJDO-XMMPIXPASA-N 556.729 4.477 10 10 KICE CN(C)c1ccc(C=C2N=C(c3ccc(NC(=O)c4cncc(Br)c4)cc3)OC2=O)cc1[N+](=O)[O-] 2297506225 GKAGXTJDKNRHSA-UHFFFAOYSA-N 536.342 4.415 10 10 KICE O=C1NC(=O)N(c2cccc(Br)c2)C(=O)C1=Cc1ccccc1OCc1ccc(C(=O)O)cc1 2313557153 VLAWJLONNQAEIJ-UHFFFAOYSA-N 521.323 4.393 10 10 KICE CCN(c1cccc(C)c1)S(=O)(=O)c1ccc2[nH]cc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)c(=O)c2c1 6181015 QVCCLUZYSAEFMW-UHFFFAOYSA-N 560.676 4.023 10 10 KICE O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)SC(=S)N1CCS(=O)(=O)O 33601080 SHZZKCAQNALCPU-MOSHPQCFSA-N 511.606 4.375 10 10 KICE COc1ccc(N2CCN(c3ncnc(N4CCN(C(c5ccccc5)c5ccccc5)CC4)c3N)CC2)cc1 40727633 CKBQYWJGLLNVJE-UHFFFAOYSA-N 535.696 4.306 10 10 KICE O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Br)ccc1OCCOCCOc1ccccc1 100054516 FVONUUUPEAIIHA-NKFKGCMQSA-N 523.383 4.385 10 10 KICE COc1c(Br)cc(Br)cc1/C=C1/C(=O)NC(=O)N(CCc2ccc(F)cc2)C1=O 100288158 NSUPYGWEVUTKAS-DHDCSXOGSA-N 526.156 4.064 10 10 KICE CO[C@@H]1O[C@H](CN=[N+]=[N-])[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 202459750 LSKICROOUPISTF-WRTSOKPASA-N 531.521 4.345 10 10 KICE CCOc1cccc(C2=C(O)C(=O)N(c3ccc(CN4CCN(C)CC4)cc3)[C@@H]2c2ccc(O)c(O)c2)c1 526603798 OOKQOTNAMYUGLS-MUUNZHRXSA-N 515.610 4.301 10 10 KICE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cccs1)=C(N)O2 1864007141 GQSHAGHSPWSBAH-QFIPXVFZSA-N 523.014 4.360 10 10 KICE CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC)=C(N)O2 1864013409 BAAONGRFCYNHKQ-RUZDIDTESA-N 528.609 4.237 10 10 KICE COC(=O)c1c(NC(=O)[C@@H](CCC(N)=O)NC(=O)OC(C)(C)C)sc(C)c1-c1ccc(Br)cc1 1866239738 UDQYDDOKHVASOH-OAHLLOKOSA-N 554.463 4.370 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)CCCC(=O)c3ccc(Br)cc3)CC2)cc1 1868736666 ZHKQNPLRWCONRP-DEOSSOPVSA-N 576.557 4.397 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)c3cc(C)cc(C)c3)CC2)cc1 1874642373 CHQZUPNPOUHYIR-LJAQVGFWSA-N 510.638 4.483 10 10 KICE Cc1cc(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)c(C)n1-c1ccc(N2CCCC2)c([N+](=O)[O-])c1 2313631651 URNUNCTVXIUEQZ-UHFFFAOYSA-N 505.575 4.397 10 10 KICE C[C@H]1C[C@@H](C)CN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(CCCCCC(=O)O)C2=O)C1 2314399965 GFJQYIQPHDLSDS-CALCHBBNSA-N 514.673 4.023 10 10 KICE CCN(CC)C(=O)COc1ccc(C=C2SC(=S)N([C@@H](C(=O)OC)c3ccccc3)C2=O)cc1OC 2314770016 XYJMNFHGKTXELX-HSZRJFAPSA-N 528.652 4.058 10 10 KICE COc1cc(C=C2SC(=S)N(NC(=O)c3ccc(C(C)(C)C)cc3)C2=O)ccc1O[C@@H](C)C(=O)O 2314934311 YZBRYAIAFUSEDO-AWEZNQCLSA-N 514.625 4.391 10 10 KICE CCOc1c(I)cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1I 103849748 RBQMSDNQHSVYCH-QPEQYQDCSA-N 606.129 4.100 10 10 KICE CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)C2=O)c1 1083946884 OBMZWADWPWRFDP-MTJSOVHGSA-N 517.538 4.287 10 10 KICE CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)NC[C@@H]4CCCN5CCCC[C@@H]45)c4ccccc34)[C@@H]21 1615156385 XHNZPTMSSIMBBX-RDNALMLJSA-N 511.670 4.169 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](CSCc3ccccc3)NC(=O)Cc3ccccc3F)CC2)cc1 1862250480 SDMHZKJYDGUUIR-HHHXNRCGSA-N 521.658 4.144 10 10 KICE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)NCCC(C)C)=C(N)O3)cc1 1864017530 OJFSROCQBMHGLZ-DEOSSOPVSA-N 541.608 4.211 10 10 KICE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)NC2CC2)=C(N)O3)cc1 1864017842 WQJVOYOHAKRZQI-DEOSSOPVSA-N 542.567 4.131 10 10 KICE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CCc1ccncc1)=C(N)O2 1865030090 CAJSDJZILSHEFS-DEOSSOPVSA-N 519.646 4.084 10 10 KICE CN(C)c1ccc([C@H](CNC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)N2CCCCC2)cc1 1866109061 ANZRPJHCWGNVKH-SANMLTNESA-N 500.599 4.099 10 10 KICE C[C@H](NC(=O)[C@H](Cc1ccncc1)c1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866688326 IOURBFWVQBZPKG-UQBPGWFLSA-N 503.558 4.327 10 10 KICE CC[C@@H](NC(=O)Cc1nc(-c2ccc(Cl)cc2)oc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868649654 ZXCHDLOJBQKIIL-HSZRJFAPSA-N 511.022 4.098 10 10 KICE CCOCCCNc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(CCc2ccccc2)C1=O 33644218 JEOMYXVYLOCWQD-HEHNFIMWSA-N 508.669 4.285 10 10 KICE Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C\C(=O)OCC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C 103070522 KMTGCBSLNBLQCV-ZTBDEIDFSA-N 534.009 4.190 10 10 KICE CCCn1c(N2C[C@H](C)O[C@@H](C)C2)c(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c(C)c(C#N)c1=O 137728214 ANBZHUSOOMNJHL-RVPYRKDQSA-N 536.723 4.496 10 10 KICE CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)NC[C@@H]4CCCN5CCCC[C@H]45)c4ccccc34)[C@H]21 1615156377 XHNZPTMSSIMBBX-AKKDSBOQSA-N 511.670 4.169 10 10 KICE COC(=O)c1c(NC(=O)C(=O)NC[C@H](c2ccc(OC)cc2)N(C)C)sc(C)c1-c1ccc(C)cc1 1860761608 ZYZYMUQKWGRKJK-OAQYLSRUSA-N 509.628 4.185 10 10 KICE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)c1ccc(OC)cc1)=C(N)O2 1864014533 XMJOTPCKQHCBJP-MZNJEOGPSA-N 520.630 4.483 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3cc(C)n(-c4cccc(C)c4)n3)c3ccccc3)CC2)cc1 1868768611 SAVVFQFOZIDSFM-LJAQVGFWSA-N 523.637 4.318 10 10 KICE CCCCn1cc(OCc2ccc([N+](=O)[O-])cc2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870683400 GVPOFICLMLWQNP-UHFFFAOYSA-N 506.603 4.466 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccc(S(N)(=O)=O)cc3)C(=O)N(C3CCCCCC3)C2=O)cc1 1873164410 ALHWRGTWOIXEHJ-UHFFFAOYSA-N 546.693 4.334 10 10 KICE Cc1ccc(NC(=O)CN2C(=O)C(=C3SC(=S)N(C[C@@H]4CCCO4)C3=O)c3ccccc32)cc1C 2296712196 JFINEXHVERCSDU-SFHVURJKSA-N 507.637 4.039 10 10 KICE COc1cccc(C=C2SC(=S)N(CCCC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c1 2297477247 VPJBGWJRSWBVJK-UHFFFAOYSA-N 522.652 4.113 10 10 KICE CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)ccc1OCC(=O)N1CCCCC1 2314769124 UJQAPLMOOCCPHB-UHFFFAOYSA-N 539.679 4.331 10 10 KICE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCc4ccccc4C)c(Cl)c3)C(=N)N21 96460530 XBEKSZMWACTJBE-QEEMYTIHSA-N 503.005 4.239 10 10 KICE CCOC(=O)N1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N([C@@H](C)c3ccccc3)C2=O)CC1 100849821 LYYNDXJQTXRAFL-WXNAFCGMSA-N 563.705 4.244 10 10 KICE CCCCCCN1C(=O)/C(=C2/SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)c2cc(Br)ccc21 102842096 UWJXMQBBKJBXKV-YWMAMYRUSA-N 543.530 4.135 10 10 KICE COc1ccc(OC)c(C2=C(O)C(=O)N(c3cc(OC)c(OC)c(OC)c3)[C@H]2c2ccc(O)c(O)c2)c1 526633592 SZDPOGNVJIEYBA-DEOSSOPVSA-N 509.511 4.198 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)CCCOc3ccccc3C)CC2)cc1 1862228109 SCRMSROGGRTUBP-NDEPHWFRSA-N 515.654 4.239 10 10 KICE CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cn(C)c3ccccc13)=C(N)O2 1864017816 VXVJYRIMUSBQHO-HHHXNRCGSA-N 549.631 4.391 10 10 KICE CCCOc1cccc([C@H]2C(C(=O)N3CCN(c4ccc(OC)cc4)CC3)=C(N)Oc3c2c(CC)nn3CC)c1 1865268176 QUWJGNUSVNSASA-AREMUKBSSA-N 545.684 4.306 10 10 KICE CCC[C@@H](NC(=O)Cc1csc(COc2ccc(C)cc2)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868591896 QYSZREJQMCSQTD-AREMUKBSSA-N 536.698 4.215 10 10 KICE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccc(Cl)c(Cl)c4)cn3CCO)CC2)cc1 1870405517 SGTXXQMQMRKCAS-UHFFFAOYSA-N 518.441 4.057 10 10 KICE CCCN1C(=O)C(Nc2ccc(C(=O)OCCOC)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873421615 HTOKPWYGUFKXCP-UHFFFAOYSA-N 501.583 4.499 10 10 KICE N=C1C(=Cc2ccc(OC(=O)c3ccc(Cl)cc3)cc2)C(=O)N=C2SC(CC(=O)N3CCCC3)=NN12 2297470592 QXZXTTTXPUXCNG-UHFFFAOYSA-N 521.986 4.191 10 10 KICE COc1ccc(CCN2C(=O)C(=Cc3c(N4C[C@@H](C)O[C@H](C)C4)nc4ccc(C)cn4c3=O)SC2=S)cc1OC 2314399680 BIVVFMPTSUFJKM-RTBURBONSA-N 580.732 4.078 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)C=Cc3cccc(Cl)c3)CC2)cc1 2330343077 KCZQUNVFAXQJHW-MHZLTWQESA-N 520.029 4.144 10 10 KICE CCOC(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C/c3ccc(O)c(OCC)c3)SC2=S)cc1 15037971 MMSCKJWVCOMXHH-ZHZULCJRSA-N 500.598 4.198 10 10 KICE CCn1c(N2CCCCC2)c(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)c(C)c(C#N)c1=O 39989634 YKZQNNOKQJJJGX-UUYOSTAYSA-N 522.652 4.169 10 10 KICE Cc1ccc(/C=C2\SC(=S)N(CCC(=O)N(Cc3ccc(N4CCCCC4)o3)[C@H]3CCS(=O)(=O)C3)C2=O)cc1 101909593 RLCPCCFSPJAOBD-QYJRXKHCSA-N 587.789 4.386 10 10 KICE Cc1noc(/C=C\c2ccc(F)cc2F)c1S(=O)(=O)N1CCC(C(=O)NCc2ccc(N(C)C)cc2)CC1 105782146 QTDKEZGOUZPFNZ-XFFZJAGNSA-N 544.624 4.215 10 10 KICE COc1cc(/C=C2/C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)ccc1OS(=O)(=O)c1ccccc1 105792917 QYKHLNYWYRWMBF-AKZCVUIYSA-N 548.602 4.161 10 10 KICE CNc1c(I)cc(/C=C2/C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc1I 164476740 RAIXVMWYAZFEFK-XGICHPGQSA-N 652.024 4.366 10 10 KICE CCN(CC)CCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2cccc3ccccc23)[C@@H]1c1ccc(O)c(O)c1 1864011238 SDHZBOUQJVDPQO-MHZLTWQESA-N 541.652 4.288 10 10 KICE COc1ccc(-c2nn(CC(C)C)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)NCCC(C)C)=C(N)O3)cc1 1864017722 SPWVQUCHPPTVCR-HSZRJFAPSA-N 520.630 4.483 10 10 KICE CCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOc1ccccc1)=C(N)O2 1864019314 IMNFHUBNPGFCGQ-AREMUKBSSA-N 540.620 4.103 10 10 KICE CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@@H](C)C1)=C(N)O2 1865034811 FGHWYAYPLUHDKC-SRGWNRLKSA-N 520.605 4.243 10 10 KICE CCCc1nn(CC)c2c1[C@H](c1ccc(CC)cc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865498003 FALRRVFSOJCLOJ-SANMLTNESA-N 529.685 4.470 10 10 KICE CC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(CCc1ccc(OC)cc1)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867501386 BBCOWWZSBHVBPS-SAIUNTKASA-N 639.797 4.452 10 10 KICE CCCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(CCCOC)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867518282 NTNHIPNPWMSDPP-KYJUHHDHSA-N 605.780 4.017 10 10 KICE CC(=O)Oc1ccc(C[C@@H](NC(=O)c2ccc(N(C)C)cc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867885290 GVRUMKIEYJERPZ-SAIUNTKASA-N 599.776 4.428 10 10 KICE CCCCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2ccc3cc[nH]c3c2)[nH]1 1871590125 ZUSDIEIXNHFWIV-UHFFFAOYSA-N 500.651 4.268 10 10 KICE CCOc1cc(C=C2C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 2293176021 QCJXVXBCSPXMAD-UHFFFAOYSA-N 512.613 4.437 10 10 KICE COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(I)cc(I)c3OC(C)C)C2=O)cc1 2313548093 LLJCZFSQLYFHSA-UHFFFAOYSA-N 632.192 4.358 10 10 KICE CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4ccc(OC)cc4[N+](=O)[O-])c3C)C2=O)c1 2313556919 OMPIFLQIGFJIDE-UHFFFAOYSA-N 548.552 4.475 10 10 KICE O=C(NN1C(=O)C(=Cc2ccc(OCC(=O)N3CCCCC3)cc2)SC1=S)c1ccc(Cl)cc1 2314765173 WTKRPCXKDYOOSR-UHFFFAOYSA-N 516.044 4.278 10 10 KICE O=C1c2ccccc2C(=O)c2c(NC(=O)C3CCN(C(=O)C=Cc4ccc([N+](=O)[O-])cc4)CC3)cccc21 2321911435 FODMXEMUPLZJJT-UHFFFAOYSA-N 509.518 4.261 10 10 KICE CCCCn1c(N2CCC(C)CC2)c(/C=C2\SC(=S)N(CCCOC)C2=O)c(C)c(C#N)c1=O 39990390 XEZFWXQZVWZNES-QNGOZBTKSA-N 502.706 4.303 10 10 KICE O=C(CN1C(=O)/C(=C2/SC(=S)N(CCc3ccccc3)C2=O)c2ccccc21)NCCc1ccccc1 102842213 YXTZCHJIVATNHA-OCEACIFDSA-N 527.671 4.206 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)[C@@H](C)Oc3ccc(Cl)cc3)c3ccccc3)CC2)cc1 1862216914 CMFZUGDAXQEPHK-IBVKSMDESA-N 508.018 4.322 10 10 KICE Cc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(OC(C)(C)C)cc1)=C(N)O2 1864009693 KNADASOBHSMMJC-XMMPIXPASA-N 520.630 4.447 10 10 KICE Cc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCCC1)=C(N)O2 1864010937 BZWGJFKBLNHYDQ-DEOSSOPVSA-N 506.578 4.324 10 10 KICE Cc1ccc(C)c(CNC(=O)C2=C(N)Oc3c(c(C)nn3Cc3ccc(F)cc3)[C@@H]2c2ccc(O)c(O)c2)c1 1864012215 UQVNFSVRHNTKDV-SANMLTNESA-N 528.584 4.418 10 10 KICE CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)c1ccc(OC)cc1)=C(N)O2 1864017169 HDUWMFOFMPOHFE-GKVSMKOHSA-N 526.593 4.427 10 10 KICE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NCCc1ccc(F)cc1)[C@@H]2c1ccc(O)c(O)c1 1864017425 MASFTZZXKXPJQM-XMMPIXPASA-N 544.583 4.182 10 10 KICE COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C/c2ccc(OCCN3CCOCC3)c(OC)c2)cc1 1865665239 INGXBLSSUFNKMO-NHFJDJAPSA-N 543.620 4.258 10 10 KICE COc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1OC 1867307802 FBJHFKOVOVNCMI-URLMMPGGSA-N 558.723 4.454 10 10 KICE CC[C@@](C)(NC(=O)c1ccc2c(c1)C(=O)N(C(C)(C)C)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867513671 TVYNNMSSQZSWMX-ZORMNXRFSA-N 575.754 4.389 10 10 KICE CC[C@@](C)(NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867817151 ADONAROQCQFPLL-LEAFIULHSA-N 554.648 4.119 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)CCCC(=O)c3ccc(Br)cc3)C(C)C)CC2)cc1 1868734763 KQJFWVITQHUUAC-AREMUKBSSA-N 544.490 4.300 10 10 KICE COCCN1[C@@H](C)CN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(-c3ccccc3C)n2)C[C@@H]1C 1869149636 UWXNGJVSJIDAIB-DQEYMECFSA-N 530.717 4.333 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)COc4ccc(C)c(C)c4)n(-c4ccccc4)n3)CC2)cc1 1869970578 UAFMIKIFPLEERA-UHFFFAOYSA-N 512.614 4.237 10 10 KICE Cc1cc(Br)ccc1N1C(=O)NC(=O)C(=CNN2C(=O)c3cccc4c(N5CCCCC5)ccc(c34)C2=O)C1=O 2297534420 YJKBNLBRJVONJJ-UHFFFAOYSA-N 602.445 4.169 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H]3c4cc(OC)c(OC)cc4C(=O)N(C)[C@@H]3c3ccccc3F)CC2)cc1 4760725 BYFQUMJVTKNWJO-WUFINQPMSA-N 533.600 4.111 10 10 KICE CCN(CC)c1ccc(CN(CCOC)C(=O)C2CCC2)c(OS(=O)(=O)c2ccc(OC)cc2)c1 37423049 JCOQWNSEACRDQT-UHFFFAOYSA-N 504.649 4.084 10 10 KICE CCCn1c(N2CCN(c3ccccc3F)CC2)c(/C=C2\SC(=S)N(CC)C2=O)c(C)c(C#N)c1=O 39990191 CDJQCYRVKISWTG-JCMHNJIXSA-N 525.675 4.125 10 10 KICE CCOC(=O)CCN1C(=O)/C(=C\c2cc(Br)c(OCC(=O)N3CCCCC3)c(OC)c2)SC1=S 101741207 DXBABOTVIXTVMI-QGOAFFKASA-N 571.515 4.003 10 10 KICE CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 102260803 PBAJXZHZGLGZMY-PYCBVSLESA-N 628.707 4.360 10 10 KICE COc1ccc(CCN2C(=O)/C(=C/c3c(NC[C@@H]4CCCO4)nc4c(C)cccn4c3=O)SC2=S)cc1OC 105757423 IHEONEFCUFKFHC-MIDMBNTASA-N 566.705 4.055 10 10 KICE Nc1ccc(N2CCN(c3ccc(OC[C@@H]4CO[C@@](Cn5cncn5)(c5ccc(F)cc5F)C4)cc3)CC2)cc1 149297784 BKLNBLKPZPFLRD-RCRUUEGKSA-N 546.622 4.476 10 10 KICE CCOc1cc(/C=C2\SC(=S)N(CCCCCC(=O)OC)C2=O)ccc1OCC(=O)N(CC)CC 206713787 YNOWLEMCOKEVSA-PGMHBOJBSA-N 522.689 4.267 10 10 KICE Cc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccncc1)=C(N)O2 1864009787 DMMXASCGVGBZSX-SANMLTNESA-N 519.561 4.151 10 10 KICE COc1ccccc1CNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2cccc(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1864012414 ZKLVJOGFWKNSCL-RUZDIDTESA-N 547.011 4.324 10 10 KICE CCCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2ccc(F)cc2)[C@H]1c1ccc(O)c(O)c1 1864018544 NKAXIZBQTDVKHR-HSZRJFAPSA-N 508.594 4.435 10 10 KICE CCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN(CC)CC)=C(N)O2 1864020050 VDCHOXXNPVAARW-HSZRJFAPSA-N 540.064 4.042 10 10 KICE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1ccccc1Cl)[C@H]2c1ccc(O)c(O)c1 1864021590 DDKSYVQURYWROT-KRWDZBQOSA-N 522.911 4.388 10 10 KICE CCCC[C@@H](NC(=O)Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866906113 ZWYDRGBXZGOKTP-HHHXNRCGSA-N 539.632 4.155 10 10 KICE C[C@H](C(=O)O)N1C(=O)c2ccc(C(=O)N[C@H](CSCc3ccccc3)C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O 1867498746 JUBATVPYVUAXDK-NZOIICATSA-N 685.847 4.197 10 10 KICE CCCC[C@H](NC(=O)c1cccc(NC(C)=O)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867637994 GOIGOEJBGQOFAI-WUFINQPMSA-N 521.706 4.343 10 10 KICE CC[C@@](C)(NC(=O)Cc1sc(NC(C)=O)nc1-c1cccs1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868626933 BQBQAEOADSIVML-HHHXNRCGSA-N 555.726 4.015 10 10 KICE COc1ccc(N2CCN(Cc3cc(=O)c(OCC(=O)Nc4ccc(C)cc4)cn3CC(C)C)CC2)cc1 1870709658 JTPYSGTTYISGLS-UHFFFAOYSA-N 518.658 4.161 10 10 KICE CC[C@H](C)NC(=O)COc1cn(CCc2cnc[nH]2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870966006 WOPVLNIJPZXYPJ-NRFANRHFSA-N 514.630 4.463 10 10 KICE COc1ccc(N2CCN(c3nc(=NCCCCCO)nc(Nc4ccc(C(C)C)cc4)[nH]3)CC2)cc1 1871507558 ZACATBWRZCRQBG-UHFFFAOYSA-N 505.667 4.070 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)Cc3ccccc3Cl)CC2)cc1 1874642465 FNOPQAHZKIJVES-MUUNZHRXSA-N 531.056 4.449 10 10 KICE COc1cc(C=C2C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)ccc1OCc1ccccc1F 2296053594 ASFOBXABGMGCGR-UHFFFAOYSA-N 521.574 4.045 10 10 KICE C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)CN2C(=O)C(=Cc3ccc(Cl)cc3)SC2=S)[C@@H]2CCS(=O)(=O)C2)o1 2314828821 LRELHISQNTZOOJ-ZTNFWEORSA-N 565.138 4.474 10 10 KICE COCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)c2)SC1=S 101013723 GTLQZVJKTAWERK-JRWMAURKSA-N 598.772 4.185 10 10 KICE COc1ccc(/C=C2\SC(=S)N(CCC(=O)N(Cc3ccc(N4CCCCC4)o3)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 101909645 PMRBDXWZHXRNLV-ZALQFNEYSA-N 603.788 4.086 10 10 KICE COc1ccc(CN2C(=O)/C(=C/c3c(C)c(C#N)c(=O)n(C)c3N3CCN(Cc4ccccc4)CC3)SC2=S)cc1 110519252 XBWHSNWAKCODTB-PKAZHMFMSA-N 585.755 4.298 10 10 KICE CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)cc(Br)c1OCC(=O)N1CCOCC1 150425452 XAFLLVREGCYQEP-DEDYPNTBSA-N 640.965 4.285 10 10 KICE COc1ccc([C@@H](CNC(=O)CN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)N2CCCCC2)cc1 205608448 WKQFTSVDOYRZOA-WWOVWOHCSA-N 513.660 4.379 10 10 KICE Nc1cc(N=Nc2c(I)cc(I)c(C(=O)O)c2I)c(O)cn1 725392883 OGIIQAJSYNUFHR-UHFFFAOYSA-N 635.925 4.297 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)[C@@H](C)Oc3ccc(C(C)C)cc3)CC2)cc1 1862216324 LVNHUAJGJIDGMJ-RLWLMLJZSA-N 513.704 4.173 10 10 KICE CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cn(C)c3ccccc13)=C(N)O2 1864014002 LEJQFSXRWYVKCO-RUZDIDTESA-N 529.641 4.202 10 10 KICE CCCc1nn(CC)c2c1[C@@H](c1cccc(C)c1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865563760 SHAQQNWMAGSTDO-RUZDIDTESA-N 515.658 4.216 10 10 KICE COc1ccc(-c2cc(C(=O)N[C@@H](CCSC)C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)nc(O)n2)cc1 1866623560 YHJZBGDCRZETLE-QHCPKHFHSA-N 582.638 4.123 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCN(CC(C)=O)CC4)nc(-c4ccc(C(C)(C)C)cc4)n3)CC2)cc1 1869347546 UZVUGZVKNMJWGT-UHFFFAOYSA-N 542.728 4.487 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)COc4ccc(C)cc4C)n(-c4ccccc4)n3)CC2)cc1 1869969948 KGWCZACGCVSAIV-UHFFFAOYSA-N 512.614 4.237 10 10 KICE COc1ccc(N2CCN(Cc3cc(=O)c(OCC(=O)N(C)C4CCCCC4)cn3CC(C)C)CC2)cc1 1870505703 JVAAEJHWWQMBPW-UHFFFAOYSA-N 524.706 4.005 10 10 KICE COCCn1cc(OCC(=O)Nc2nccs2)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870935950 IPTXROQTHDZLSH-UHFFFAOYSA-N 505.600 4.324 10 10 KICE CCOCCCn1cc(OCc2n[nH]c(=N)s2)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1871024111 WDRYBRWGTDDUKT-UHFFFAOYSA-N 506.632 4.474 10 10 KICE COC(=O)Cc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C3CCN(C)CC3)C2=O)cc1 1873427724 YGGDOLRSTQDFSH-UHFFFAOYSA-N 526.637 4.096 10 10 KICE Cc1ccc(CNc2nc3ccc(C)cn3c(=O)c2C=C2SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1 2296543523 JTOWINQKZXSGJS-IBGZPJMESA-N 506.653 4.304 10 10 KICE CC[C@@H](Oc1ccc(C=C2SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1OC)C(=O)O 2314931065 BQNDVWIKAPZCKO-QGZVFWFLSA-N 517.625 4.398 10 10 KICE COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(Cl)c4)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 2735309 WMRNNAWHIINULY-GJFKPFFXSA-N 534.037 4.388 10 10 KICE CCN(CC)C(=O)COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1OC 101744658 GSJCSRPOCGZERD-DEDYPNTBSA-N 534.059 4.142 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4cccc(C(=O)OC)c4)c3C)c(=O)n2[C@@H]1c1ccccc1OC 254443104 LHSFACLXDMIUHY-MUUNZHRXSA-N 585.682 4.001 10 10 KICE Cc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccs1)=C(N)O2 1864011730 KOXRCWAEDTVFGA-JOCHJYFZSA-N 523.014 4.377 10 10 KICE CCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1F)=C(N)O2 1864017741 TYXLBTDAXMXODX-XMMPIXPASA-N 530.556 4.005 10 10 KICE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCCCc1ccccc1)[C@H]2c1ccc(O)c(O)c1 1864023216 VYLVQTGLVFZJQI-IBGZPJMESA-N 516.520 4.167 10 10 KICE O=C(N[C@H](Cc1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc2oc(O)nc2c1 1867136673 UWUJVSHMUSYWSL-XMMPIXPASA-N 531.524 4.289 10 10 KICE COc1cccc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867385449 FCCAVVBDTXEPMP-XZWHSSHBSA-N 544.696 4.151 10 10 KICE C[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867525963 XFPGTTNHMKBNEM-MNNSJKJDSA-N 573.738 4.143 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)CCC(=O)c3ccc(C)cc3C)c3ccccc3)CC2)cc1 1868936251 CMCOFHBENDINKM-SSEXGKCCSA-N 513.638 4.481 10 10 KICE O=C1C(=CNCCN2CCOCC2)C(CSc2ccc(Cl)cc2)=NN1c1nc2ccccc2s1 2293311815 FCSGAYFCGUJQTG-UHFFFAOYSA-N 514.076 4.250 10 10 KICE COc1ccc2c(c1)c(C=Cc1nc3ccc(I)cc3c(=O)n1CCCO)c(C)n2C 2297376115 ZWFGRBQBPAIPKE-UHFFFAOYSA-N 529.378 4.363 10 10 KICE COCCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(C)C)c2)SC1=S 102688260 KBLBASAMYHTNFI-CJLVFECKSA-N 542.708 4.027 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc(C(=O)OCC)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 254746147 KVOQYJDBUYRESZ-SSEXGKCCSA-N 629.735 4.400 10 10 KICE CCCCOCCOC(=O)Cn1cc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 1860826583 IOKNYVDGNKGRCB-XSFVSMFZSA-N 504.630 4.067 10 10 KICE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccn1)=C(N)O2 1864009793 DTHFQYVCPCNQMA-QHCPKHFHSA-N 532.000 4.295 10 10 KICE Cc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(Cl)cc1)=C(N)O2 1864012289 WWEGEAQPVTXNCZ-VWLOTQADSA-N 549.002 4.497 10 10 KICE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(C(=O)OCC)cc1)=C(N)O2 1864014423 UXRRNJAVBFJRFQ-XMMPIXPASA-N 548.640 4.091 10 10 KICE CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(F)cc1)=C(N)O2 1864018564 OCIOGHLNZQWYNT-DEOSSOPVSA-N 532.547 4.194 10 10 KICE Cc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C)CC1)=C(N)O2 1865025707 CDFUTKYKCMOMQK-QHCPKHFHSA-N 509.006 4.258 10 10 KICE Cc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](C)C1)=C(N)O2 1865025974 HACGCYHELXPERS-NPMXOYFQSA-N 509.006 4.258 10 10 KICE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1cccs1 1865328071 SXHMYVSTXDEAFX-LJQANCHMSA-N 547.603 4.425 10 10 KICE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1cccc(C)c1 1865564650 BIEZNBPJMWUOTA-NRFANRHFSA-N 541.574 4.282 10 10 KICE CC[C@@](C)(NC(=O)/C=C(\C)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867077054 GDKICXKSFWMMJU-NHMUCKAMSA-N 573.671 4.039 10 10 KICE CC(=O)Oc1ccc(C[C@H](NC(=O)C[C@@H]2CCCCO2)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 1867248628 NGRAJSWSULCDGZ-CUNXSJBXSA-N 554.599 4.013 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)CCc3c[nH]c4ccccc34)CC2)cc1 1868582308 DVCIOITZOOVKHH-LJAQVGFWSA-N 528.628 4.325 10 10 KICE C[C@H](O)Cn1cc(OCC(=O)Nc2nccs2)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870937832 UOLXUJRZWZEXGQ-SFHVURJKSA-N 505.600 4.059 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(N[C@H](C)c3ccccc3)C(=O)N(CCCN3CCOCC3)C2=O)cc1 1873168311 QOAPSFKKLBVLQT-XMMPIXPASA-N 512.654 4.247 10 10 KICE Cc1cc(C)cc(OCCNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCN(C)C)C2=O)c1 1873168897 ONEZXJWNSNGEAV-UHFFFAOYSA-N 514.670 4.411 10 10 KICE COCCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCc3ccc(OC)cc3)ncnc21 1875224668 DBVJJMFIOKAVRW-UHFFFAOYSA-N 544.656 4.060 10 10 KICE CC(C)CN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCOCC3)cc2)SC1=S 2296729472 OMAXJMWQSJLLQC-UHFFFAOYSA-N 568.746 4.417 10 10 KICE Cc1ccc2nc(N3CCN(c4ccc(F)cc4)CC3)c(C=C3SC(=S)N(CCCCCC(=O)O)C3=O)c(=O)n2c1 2314408590 MPBLIECKJHTIEW-UHFFFAOYSA-N 595.722 4.315 10 10 KICE C[C@@H]1CN(C2=NC(=O)C(=Cc3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N4CCCC4)c3)S2)C[C@@H](C)O1 2314476163 JTUBGOSNSMSFRS-NHCUHLMSSA-N 577.732 4.403 10 10 KICE CCCn1c(N2CCC(C)CC2)c(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c(C)c(C#N)c1=O 39990035 ILNUAARSDUZSCV-PKIWBCANSA-N 500.690 4.055 10 10 KICE CCCCn1c(N2CCN(c3ccc(F)cc3)CC2)c(/C=C2\SC(=S)N(C)C2=O)c(C)c(C#N)c1=O 39991276 MQUFDSVJZZXMKU-JCMHNJIXSA-N 525.675 4.125 10 10 KICE CCCn1c(NCc2ccc3c(c2)OCO3)c(/C=C2\SC(=S)N(C(C)C)C2=O)c(C)c(C#N)c1=O 40066810 PASBRWFSONUXCB-FBHDLOMBSA-N 510.641 4.389 10 10 KICE Cc1cc(C)cc(OCCNC(=O)C2=C(N)Oc3c(c(C)nn3-c3ccccc3)[C@@H]2c2ccc(O)c(O)c2)c1 1864007707 SJWUTCCQGCLWBL-SANMLTNESA-N 526.593 4.099 10 10 KICE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccncc1)=C(N)O2 1864009566 AZPVDKVKLWTXOY-HSZRJFAPSA-N 532.000 4.295 10 10 KICE CCCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2Cc2ccccc2F)[C@H]1c1ccc(O)c(O)c1 1864017891 XTPYSECBIVUTNQ-XMMPIXPASA-N 544.583 4.378 10 10 KICE CC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867430805 KYKLBBWNZQUQFB-AJQTZOPKSA-N 609.771 4.443 10 10 KICE C[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867525961 XFPGTTNHMKBNEM-KPURRNSFSA-N 573.738 4.143 10 10 KICE CS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(OCc4ccccc4Cl)c(Cl)c3)C(=O)N=C2S1 2297346172 JDSUNUKKVKBTGZ-UHFFFAOYSA-N 509.396 4.194 10 10 KICE CCOC(=O)c1ccc(N2C(=O)C[C@@H](N3C(=O)/C(=C\c4ccc(Cl)cc4)SC3=S)C2=O)cc1 102865229 FUHIUOJBVQGWJX-AUUUKSDWSA-N 500.985 4.050 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 254413590 VKLUTNPFXSIVBH-HHHXNRCGSA-N 588.642 4.041 10 10 KICE Cc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCC1)=C(N)O2 1864012232 VBSYSSMCWUKISB-HSZRJFAPSA-N 509.006 4.448 10 10 KICE CCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(C)cc1)=C(N)O2 1864019953 SCUJPPZEYJEKLC-VWLOTQADSA-N 510.594 4.224 10 10 KICE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCc3ccccc3C1)=C(N)O2 1865030746 PVYNVPQRTMLKML-DEOSSOPVSA-N 502.615 4.182 10 10 KICE CCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCCC1)=C(N)O2 1865034790 DQNQYAQBIZFSGE-HSZRJFAPSA-N 506.578 4.141 10 10 KICE CN(C)c1ccc([C@@H](CNC(=O)c2c[nH]c3c(F)cc(I)cc3c2=O)N2CCCCC2)cc1 1866446732 KXNXBQUDRJLUOW-JOCHJYFZSA-N 562.427 4.295 10 10 KICE CC[C@@](C)(NC(=O)c1ccc(OC)c(OC)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867313544 DYVILQOQWVGCOF-PWUYWRBVSA-N 510.679 4.012 10 10 KICE CN(C)c1ccc([C@H](CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2ccc([N+](=O)[O-])cc2)N2CCCCC2)cc1 1867357600 KXSHPRFGXIXJEB-VMPREFPWSA-N 559.667 4.051 10 10 KICE Cc1ccccc1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867899870 NVCQHVRQOVFUSZ-KYJUHHDHSA-N 528.697 4.451 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCN(c5cccc(OC)c5)CC4)nc(C(C)(C)C)n3)CC2)cc1 1867969035 MDSZRJFLVUFCAB-UHFFFAOYSA-N 516.690 4.445 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)c3cccc(-n4cccc4)c3)CC2)cc1 1868614705 VKEQLFWSLALNRF-GDLZYMKVSA-N 508.622 4.176 10 10 KICE COCCN1C(=O)C(=Cc2cc(C)n(-c3ccc(C(=O)O)cc3C)c2C)C(=O)N(c2ccccc2)C1=O 2295201930 RWJAZBHXEOBUOC-UHFFFAOYSA-N 501.539 4.126 10 10 KICE O=C(CN1C(=O)C(=C2SC(=S)N(C[C@@H]3CCCO3)C2=O)c2ccccc21)Nc1cccc(Cl)c1 2296538214 GCFXKRLHSVEAIU-INIZCTEOSA-N 514.028 4.076 10 10 KICE Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 2313559775 SBCHIGRMHHKNNW-UHFFFAOYSA-N 509.316 4.431 10 10 KICE Cc1cc(C=C2C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)c(C)n1-c1ccccc1C(=O)O 2313560782 GRZPKXKOQVWRAE-UHFFFAOYSA-N 508.328 4.221 10 10 KICE COc1ccc(N2CCN(S(=O)(=O)c3cc(C(=O)Nc4ccc(C)c(F)c4)ccc3F)CC2)cc1 3022971 MHRJXHCVFCBFBQ-UHFFFAOYSA-N 501.555 4.045 10 10 KICE CCOCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2NCc2ccc(OC)cc2)SC1=S 40066484 VWTCWAFFQUGSEK-HMAPJEAMSA-N 526.684 4.297 10 10 KICE CCN(CC)c1ccc(CN(C[C@H](O)COc2ccc(Cl)cc2Cl)[C@H]2CCS(=O)(=O)C2)cc1 256037261 BJODLBDZHUHZIH-VXKWHMMOSA-N 515.503 4.269 10 10 KICE CCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC(C)C)=C(N)O2 1864019500 KMXFRNRCXUMZDS-JOCHJYFZSA-N 527.021 4.125 10 10 KICE C[C@H]1CCCN(C(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3Cc3ccccc3F)[C@@H]2c2ccc(O)c(O)c2)C1 1865033527 BPTBGXVCHRTUTL-XOBRGWDASA-N 546.521 4.454 10 10 KICE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1C[C@@]3(C)C[C@H]1CC(C)(C)C3)[C@H]2c1ccc(O)c(O)c1 1865033647 FMEWYZGYVPVHCE-OOGSEDQNSA-N 520.552 4.455 10 10 KICE CCCC[C@@H](NC(=O)c1cccc(OC(C)=O)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867296883 VGNYKSKPCUDKKW-VSGBNLITSA-N 522.690 4.310 10 10 KICE COc1cc(C(=O)N[C@@H](C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c2ccccc2)c([N+](=O)[O-])cc1OC 1867804840 LNRPYJIFWCRPHI-BHBYDHKZSA-N 589.693 4.493 10 10 KICE O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)C1=Cc1cc(I)c(O)c(I)c1 2313561024 PYLLTGYPGCUUSB-UHFFFAOYSA-N 655.049 4.195 10 10 KICE COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)C2=C(C)NCCSCc2[nH]cnc2C)cc1 2313683243 VLMOZNOXYPEUEZ-UHFFFAOYSA-N 506.588 4.183 10 10 KICE Cc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc(C)cc3)C2c2ccc(N(C)C)cc2)cc1 59074263 YNJMWWNBAKPQCP-UHFFFAOYSA-N 513.685 4.154 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3c(OCC)ccc4ccccc34)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 254631734 XLVJIAYGWZNZAH-NDEPHWFRSA-N 541.673 4.416 10 10 KICE Cc1ccc(CCNC(=O)C2=C(N)Oc3c(c(C)nn3-c3ccc(C)cc3)[C@H]2c2ccc(O)c(O)c2)cc1 1864008366 IXYUNEYDGWKINI-AREMUKBSSA-N 510.594 4.262 10 10 KICE COc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867319096 UACLJKUDFKXJPX-KYJUHHDHSA-N 528.697 4.446 10 10 KICE O=C(CCC(=O)N1CCC[C@H]1c1nc2ccccc2s1)NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1868152034 RTPONPAEWGWHNF-QHCPKHFHSA-N 566.639 4.270 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)[C@@H](c3ccc(Br)cc3)C(C)C)CC2)cc1 1868847428 DGPYJYZFXQOVOW-WZONZLPQSA-N 502.453 4.051 10 10 KICE CCOC(=O)N1CCC(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C3CCCC3)C2=O)CC1 1873162365 RMWFIAFBHYGHCQ-UHFFFAOYSA-N 504.631 4.327 10 10 KICE CCOc1c(I)cc(C=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC 2294134007 PKZYUCQQTDXKGK-UHFFFAOYSA-N 526.714 4.018 10 10 KICE CC[C@H](C)N1C(=O)C(=Cc2c(N3CCN(c4ccccc4)CC3)nc3c(C)cccn3c2=O)SC1=S 2296318951 NBLWOEUOWJWYJI-IBGZPJMESA-N 519.696 4.329 10 10 KICE CC[C@H](C)c1ccc(OCCOc2ccc(C=C3C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2)cc1 2297345067 OCDRTZGBGNVQEH-INIZCTEOSA-N 526.640 4.279 10 10 KICE COc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC(C)C)ccc1OCc1ccccc1F 2297345645 OJLFRVYPHMPRAJ-UHFFFAOYSA-N 530.603 4.061 10 10 KICE COc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)ccc1OCc1ccc(C(=O)O)cc1 4482494 GNSVAKUEPXWQSP-LPYMAVHISA-N 516.575 4.421 10 10 KICE COc1ccc(CCN2C(=O)/C(=C\c3c(C)c(C#N)c(=O)n(C)c3NCc3ccco3)SC2=S)cc1 208270922 KSMHFPXJVPILEW-LPYMAVHISA-N 520.636 4.223 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)C(c3ccccc3)c3ccccc3)CC2)cc1 1862120640 RFLOSTFCTRBUHO-MHZLTWQESA-N 517.695 4.414 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)CCCOc3ccc(C)cc3)CC2)cc1 1862214579 LYPOEEGDEOXVOT-GDLZYMKVSA-N 515.654 4.239 10 10 KICE Cc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C)CC1)=C(N)O2 1865025706 CDFUTKYKCMOMQK-HSZRJFAPSA-N 509.006 4.258 10 10 KICE CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCc3ccccc3C1)=C(N)O2 1865035035 JRRNUADDEWJDQB-SANMLTNESA-N 540.595 4.324 10 10 KICE CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1c[nH]c2ccccc12 1865366600 CQNWBUBXOJTPQL-AREMUKBSSA-N 526.641 4.135 10 10 KICE COc1ccc(C(=O)N[C@H](Cc2ccc(OC(C)=O)cc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867311990 XGZHJULGOVJYFY-ROJLCIKYSA-N 586.733 4.371 10 10 KICE CN(C)c1ccc([C@@H](CNC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)c2ccc([N+](=O)[O-])cc2)N2CCCCC2)cc1 1867357623 LHPSOUIONPJWMH-URLMMPGGSA-N 561.658 4.484 10 10 KICE CC[C@H](NC(=O)CCCC(=O)c1ccc(Br)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868732868 UQKIOCTXWBDXRW-QHCPKHFHSA-N 530.463 4.054 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)c4ccc5c(c4)C(=O)CCC5)n(C(C)(C)C)n3)CC2)cc1 1869969963 BKIMOIJRALZLFS-UHFFFAOYSA-N 502.619 4.140 10 10 KICE COC(=O)c1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCCN(C)C)C2=O)cc1 1873165786 VHAPYJQUEGSWHB-UHFFFAOYSA-N 528.653 4.092 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(N[C@@H]3CCCC[C@H]3C)C(=O)N(CCCN3CCOCC3)C2=O)cc1 1873169632 DCPIWXSEYZYOPJ-QFQXNSOFSA-N 504.675 4.065 10 10 KICE COc1cc(C=C2SC(=S)N([C@H]3CC(=O)N(c4ccc(S(N)(=O)=O)cc4)C3=O)C2=O)ccc1OCc1ccc(Cl)cc1 2314833300 RRQDTKQTEKJXNT-NRFANRHFSA-N 644.152 4.108 10 10 KICE COc1ccc(CCN2C(=O)C(=Cc3ccc(O[C@H](C)C(=O)O)c(OC)c3)SC2=S)cc1OC 2314933681 WZOUDLBRIZGTNY-CQSZACIVSA-N 503.598 4.008 10 10 KICE CCOc1cc(/C=C2\C(=N)N3N=C(S(=O)(=O)CC)SC3=NC2=O)ccc1O[C@H](C)c1ccccc1 20208184 OUECNPFFKXDSID-DUUBSPRGSA-N 512.613 4.237 10 10 KICE CCN(CC)C(=O)COc1ccc(/C=C2/SC(=S)N([C@H](C(=O)OC)c3ccccc3)C2=O)cc1OC 101737258 XYJMNFHGKTXELX-QFVBLGFASA-N 528.652 4.058 10 10 KICE CCOc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OC(=O)c1ccc(C(C)C)cc1 104559635 CXPHPKAFMQHBHG-SREDRKHISA-N 540.623 4.049 10 10 KICE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1F)=C(N)O2 1864010861 PRVRJPWMWXEVFS-XMMPIXPASA-N 514.557 4.386 10 10 KICE Cc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccccc1)=C(N)O2 1864010950 CMFHIKVJAUPXDD-VWLOTQADSA-N 531.012 4.358 10 10 KICE CCCCOCCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2CCC)[C@@H]1c1ccc(O)c(O)c1 1864015675 CQSFOLPMIAYPQL-QHCPKHFHSA-N 520.630 4.389 10 10 KICE NC1=C(C(=O)NCc2ccccn2)[C@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(Cc3ccccc3)c2O1 1864016356 NBORLJIFIPLMEG-AREMUKBSSA-N 545.599 4.416 10 10 KICE Cc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCCC1)=C(N)O2 1865027784 KZPKPIJSJBHANA-JOCHJYFZSA-N 539.430 4.452 10 10 KICE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)N2CCCCCC2)[C@@H]3c2ccc(O)c(O)c2)cc1 1865031437 GVIJQEMSMGUABP-HXUWFJFHSA-N 544.530 4.408 10 10 KICE CCN(CCO)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@H]1c1ccc(O)c(O)c1 1865032262 ZFQNIMYIUFEZAS-HSZRJFAPSA-N 547.011 4.139 10 10 KICE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4CC(C)C)[C@@H]3c3ccc(F)cc3F)CC2)cc1 1865414713 DUBIBPQUKIJYFQ-VWLOTQADSA-N 537.611 4.178 10 10 KICE CCCC[C@H](NC(=O)CCc1csc(-c2ccncc2)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868909828 PLHIXQUGRIHHIP-VWLOTQADSA-N 521.687 4.170 10 10 KICE CC[C@@H](NC(=O)c1cc(C2CC2)n2nc(-c3ccccc3)cc2n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869003132 NHMWZYCUGIBHLL-RUZDIDTESA-N 538.652 4.140 10 10 KICE CCCn1cc(OCC(=O)Nc2cc(C)ccc2C)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870758479 HDIUUZRKLHZKTI-UHFFFAOYSA-N 518.658 4.223 10 10 KICE COCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NC[C@H](c3ccccc3)N3CCCC3)ncnc21 1875226723 CTBOEIDGZPVJEI-SSEXGKCCSA-N 583.737 4.298 10 10 KICE COc1ccc(C(=O)Oc2c(I)cc(C=C3SC(=S)NC3=O)cc2OC)cc1 2297306928 SWVANYXBAFDNBM-UHFFFAOYSA-N 527.361 4.016 10 10 KICE Cc1ccc(OCCOc2ccc(C=C3C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2Cl)c(C)c1 2297346282 RSKAGRVSUQNBEX-UHFFFAOYSA-N 533.031 4.036 10 10 KICE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1cc(Br)c(O)c(I)c1 2313559663 KHJLIZLVOXWWOB-UHFFFAOYSA-N 591.981 4.188 10 10 KICE NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)C(=Cc3c4ccccc4cc4ccccc34)SC2=S)cc1 2314827845 NNTRKAHPZSLQLT-UHFFFAOYSA-N 533.656 4.480 10 10 KICE COc1cc(/C=C2\SC(=S)N([C@@H]3CC(=O)N(CCCCC(=O)O)C3=O)C2=O)ccc1OCc1ccc(C)cc1 101974497 ZLNBQFJDSIINGH-SPMKTWQFSA-N 568.673 4.166 10 10 KICE Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 103795146 VQINPMVEUVJDIN-JAIQZWGSSA-N 568.405 4.084 10 10 KICE CC[C@@H](NC(=O)c1ccc2[nH]c(-c3ccc(C)cc3)nc2c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862099486 VDAPVNBKPUFELJ-RUZDIDTESA-N 511.626 4.404 10 10 KICE CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(C)cc1)=C(N)O2 1864018581 OIWQURFFMRKJJV-SANMLTNESA-N 542.611 4.406 10 10 KICE CC(=O)Oc1ccc(C[C@@H](NC(=O)CCc2ccco2)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 1866583610 UBSQBELFWHXQTC-HHHXNRCGSA-N 550.567 4.279 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCC(CN5CCOCC5)CC4)nc(-c4ccccc4)n3)CC2)cc1 1869195032 FLWXVTBRHDZMNG-UHFFFAOYSA-N 528.701 4.027 10 10 KICE CCN(CC)CCn1cc(OCC(=O)OCCOC)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870905895 VVBLJQQIOZWNGL-UHFFFAOYSA-N 522.646 4.114 10 10 KICE CCNC(=O)COc1cn(CCCN(CC)CC)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870972627 KCUVNMYPTXETIO-UHFFFAOYSA-N 505.663 4.451 10 10 KICE COc1ccc(OCCN2C(=O)C(NC[C@@H]3CCCO3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873166692 WVHNDWCAVXETMR-SANMLTNESA-N 515.610 4.030 10 10 KICE COc1ccc(N2CCN(CCC(=O)c3ccc(NC(=O)c4c(OC)cccc4OC)cc3)CC2)cc1 1874749648 CCWWFRQSFUNQPB-UHFFFAOYSA-N 503.599 4.360 10 10 KICE [N-]=[N+]=N[C@H]1CCN(C(=O)c2cc(I)cc(I)c2I)C1 1912170318 VRDNYNNAWNPOFZ-ZETCQYMHSA-N 593.932 4.025 10 10 KICE COc1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)ccc1OCCCOc1ccc(C)c(C)c1 2296606534 NGBPLXIEXQEMGU-UHFFFAOYSA-N 504.539 4.415 10 10 KICE CCCNc1nc2ccc(C)cn2c(=O)c1C=C1SC(=S)N(c2c(C)n(C)n(-c3ccccc3)c2=O)C1=O 2314414203 SIJCNYHLKMJJLK-UHFFFAOYSA-N 546.678 4.028 10 10 KICE O=C(O)CCCN1C(=O)C(=Cc2c(Oc3ccccc3Cl)nc3ccccn3c2=O)SC1=S 2314504506 XACFCGOAEKXEDJ-UHFFFAOYSA-N 501.973 4.206 10 10 KICE CC[C@H](Oc1cccc(C=C2SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c1)C(=O)O 2314932785 YQMCLWYRVKGPKO-IBGZPJMESA-N 509.609 4.132 10 10 KICE O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@@H]1c1c(O)cc(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc12 26187329 GFWPWSNIXRDQJC-XRKRLSELSA-N 556.479 4.499 10 10 KICE biogenic NS(=O)(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C/c3ccc(-c4ccccc4)cc3)SC2=S)cc1 101966594 RIWWDYIWLQXSAN-JWGURIENSA-N 523.661 4.231 10 10 KICE CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)cc(Br)c1OCC(=O)N1CCOCC1 150425228 UMBXLPZPGRMENM-UDWIEESQSA-N 640.965 4.285 10 10 KICE CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1ccc(F)cc1 1084544781 RTRHHHYINXEAAU-HHHXNRCGSA-N 527.621 4.141 10 10 KICE CCCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2Cc2ccccc2)[C@H]1c1ccc(O)c(O)c1 1864021297 AANJGJMBIIEHMG-XMMPIXPASA-N 526.593 4.239 10 10 KICE CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1cccc(Cl)c1 1865092479 RJWMHOVSVYQBPU-XMMPIXPASA-N 522.049 4.307 10 10 KICE CCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccco1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865318696 RDOIIXAQEUMVMZ-HHHXNRCGSA-N 539.636 4.139 10 10 KICE CN(C)c1ccc([C@H](CNC(=O)[C@H]2CC(=O)N(c3ccc(N4CCCC4)cc3)C2)N2CCCCC2)cc1 1866279102 OCPIXPCRJIMYCW-CUBQBAPOSA-N 503.691 4.049 10 10 KICE CSCC[C@H](NC(=O)c1ccc(F)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867345336 VNNHYYXLLATLQM-LOSJGSFVSA-N 500.684 4.087 10 10 KICE CC(C)N1C(=O)c2ccc(C(=O)N[C@@H](Cc3ccccc3)C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O 1867436464 ZXINDWNFSZRSNZ-AJQTZOPKSA-N 609.771 4.442 10 10 KICE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)[C@@H](c3ccc(Br)cc3)C(C)C)CC2)cc1 1868848948 RWTZUNSYUDUAQD-HSZRJFAPSA-N 516.480 4.441 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCN[C@H](c5ccc(F)cc5)C4=O)nc(-c4cccc(OC)c4)n3)CC2)cc1 1869317336 UPKSHYOGIRABPK-SSEXGKCCSA-N 568.653 4.304 10 10 KICE CCCCCCOC(=O)COc1cn(CC(C)C)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870417112 FCOLBGLFMGRYDJ-UHFFFAOYSA-N 513.679 4.337 10 10 KICE COc1ccc(N2CCN(c3nc(=NCc4ccncc4)nc(Nc4ccc(Cl)cc4)[nH]3)CC2)cc1 1871522248 GJQMERQCCZTLJG-UHFFFAOYSA-N 503.010 4.033 10 10 KICE COc1ccc(N2CCN(c3cnn(-c4ccc(Br)cc4)c(=O)c3Br)CC2)cc1 1873525372 ZGAZMIVCYZDFEK-UHFFFAOYSA-N 520.225 4.093 10 10 KICE Cc1cc(C=C2C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)c(C)n1-c1ccc(C(C)C)cc1 2297469360 XGSRNNBXJFHGQL-UHFFFAOYSA-N 518.643 4.086 10 10 KICE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(I)c1OS(=O)(=O)c1ccc(C)cc1 2313541015 KHCNHFXAZRQYHJ-UHFFFAOYSA-N 632.432 4.351 10 10 KICE O=C1/C(=C/c2ccccc2)SC(=S)N1CCCC(=O)N(Cc1ccc(N2CCCCC2)o1)[C@@H]1CCS(=O)(=O)C1 101909565 DBNMHKIXVLOOIG-GRCQKCIOSA-N 587.789 4.467 10 10 KICE O=C(O)CCNC(=O)CCCCCN1C(=O)/C(=C/c2cc(Br)cc(Br)c2O)SC1=S 101969523 GXHHWRVTWPOVBI-ZROIWOOFSA-N 580.320 4.270 10 10 KICE CCOC(=O)COc1c(I)cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1OCC 1084279970 JXABUANXNJFVJK-SXGWCWSVSA-N 643.228 4.061 10 10 KICE CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(sc(=Cc3ccc(N(CC)CC)cc3OC)c2=O)=N1 1084560730 RXVYCFRPDFCKIE-LJAQVGFWSA-N 593.746 4.451 10 10 KICE CCOC(=O)c1c(NC(=O)C(=O)N[C@H]2CC[C@H](O)CC2)sc(C)c1-c1ccc(Br)cc1 1860758856 RVPRWOXTBXCCMF-WKILWMFISA-N 509.422 4.021 10 10 KICE Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@@H](C)C1)=C(N)O2 1865027595 JSRCQUJPBONDIG-AQKDONEWSA-N 509.006 4.444 10 10 KICE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4CC(C)C)[C@@H]3c3cccc(F)c3)CC2)cc1 1865546971 ZBUKTORCEHJNBM-VWLOTQADSA-N 519.621 4.039 10 10 KICE CC[C@@H](NC(=O)Cc1ccc2nc(O)c(C)cc2c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866919059 VNGMVJJHBNUIFG-JOCHJYFZSA-N 507.546 4.100 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCCCN3CCOCC3)C(=O)N([C@H]3CCCC[C@@H]3C)C2=O)cc1 1873169344 KONIUMCQXQIRBU-LVXARBLLSA-N 504.675 4.065 10 10 KICE Cc1ccc(NC(=O)CN2C(=O)C(=C3SC(=S)N(C[C@@H]4CCCO4)C3=O)c3ccccc32)c(C)c1 2296712145 BFJFNWZQTPRUPU-KRWDZBQOSA-N 507.637 4.039 10 10 KICE O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1cc(Br)c(O)c(I)c1 2313510457 JFPUVUCMVBDASN-UHFFFAOYSA-N 547.530 4.079 10 10 KICE COc1ccc(CCN2C(=O)C(=Cc3c(NC[C@H]4CCCO4)nc4c(C)cccn4c3=O)SC2=S)cc1OC 2314413804 IHEONEFCUFKFHC-LJQANCHMSA-N 566.705 4.055 10 10 KICE COc1ccc(C=C2SC(=S)N(CC(=O)Nc3nonc3-c3ccc4c(c3)CCCC4)C2=O)cc1 2314817713 ZLWPBFPSCMDOGQ-UHFFFAOYSA-N 506.609 4.464 10 10 KICE CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1cccc(OC)c1OC 100590694 DZTKFDOBMYYHDD-LMKKRCETSA-N 569.683 4.019 10 10 KICE Cc1ccccc1[C@@H]1N[C@](Cc2ccccc2)(C(=O)O)[C@@H]2C(=O)N(Cc3ccc4c(c3)C(=O)c3ccccc3C4=O)C(=O)[C@H]12 106755874 RTZHNODFDIPHCJ-MRLKSMNNSA-N 584.628 4.282 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc(N5CCOCC5)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1OC 252668246 FARGUFZFRYLFSU-YTTGMZPUSA-N 642.778 4.060 10 10 KICE CCOC(=O)c1c(NC(=O)C(=O)N[C@@H](CC(C)C)C(=O)O)sc(C)c1-c1ccc(Br)cc1 1860758201 GJYCROFRHNQAFL-HNNXBMFYSA-N 525.421 4.217 10 10 KICE CCCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccncc1)=C(N)O2 1864013289 UZRHOQSJVJVSHA-XMMPIXPASA-N 546.027 4.355 10 10 KICE CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)c1ccccc1)=C(N)O2 1864013610 YFYIOZUDPPBTBJ-XDHUDOTRSA-N 511.582 4.203 10 10 KICE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCC1)=C(N)O2 1865030712 PCGCWIYCXNBBQB-HSZRJFAPSA-N 506.578 4.141 10 10 KICE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1cccnc1 1865393638 FJIPMBBVIACRHE-RUZDIDTESA-N 536.636 4.017 10 10 KICE CCCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(C(C)C)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867432154 IMDWVXPEBHJSMY-VMPREFPWSA-N 575.754 4.389 10 10 KICE CCCN1CCN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(-c3cccc(OC)c3)n2)CC1 1867993039 LSTRQOMWYONNGE-UHFFFAOYSA-N 502.663 4.019 10 10 KICE CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CC[C@@H](O)C[C@H]2c2ccc(OC)c(OC)c2)n1 1869139974 FMCPQOKRQCVSSK-NOZRDPDXSA-N 533.673 4.094 10 10 KICE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4c(C)cc(C)cc4C)cn3C[C@H](C)O)CC2)cc1 1870380163 XWFHIOZOMGJQSE-DEOSSOPVSA-N 505.659 4.064 10 10 KICE CCCCNC(=O)COc1cn(CCCN(C)C)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870954019 WSHFWELJSMQGER-UHFFFAOYSA-N 505.663 4.451 10 10 KICE COc1ccc(OC)c(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C[C@@H]3CCCO3)C2=O)c1 1873419340 AIXWEACTUAPBOS-QHCPKHFHSA-N 501.583 4.482 10 10 KICE Cc1ccc2nc(N3CCN(c4ccccc4)CC3)c(C=C3SC(=S)N(Cc4ccco4)C3=O)c(=O)n2c1 2296348832 XLRKARFSMZCMRF-UHFFFAOYSA-N 543.674 4.324 10 10 KICE Cc1ccc2nc(N3CCN(c4cccc(Cl)c4)CC3)c(C=C3SC(=S)N(C[C@H]4CCCO4)C3=O)c(=O)n2c1 2296544541 YRYHSZBZNHVSGJ-OAQYLSRUSA-N 582.151 4.363 10 10 KICE CCOc1cc(C=C2SC(=S)N(CC(=O)O)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1 2297577763 ZFVZREZXJSXUPD-UHFFFAOYSA-N 506.989 4.042 10 10 KICE O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1cc(Br)cc(I)c1O 2313510300 MVPIAHGQQIHWIN-UHFFFAOYSA-N 547.530 4.079 10 10 KICE Cc1ccc(N2C(=O)/C(=C\c3cc(I)cc(I)c3O)C(=O)NC2=S)cc1C 102778941 WQKQUTHERQMRDS-AUWJEWJLSA-N 604.207 4.050 10 10 KICE CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 103518927 BGJJGAREPBTVQO-IAOUMNOZSA-N 563.720 4.442 10 10 KICE Cc1cccc(C)c1OCCOc1ccc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC(C)C)cc1 104562247 KYVRHGLBDZYGKG-DVELLGFNSA-N 540.667 4.409 10 10 KICE C[C@@H]1CCCCN1C(=O)Cn1cc(/C=C2/C(=O)N(C)c3ccc(S(=O)(=O)N4CCOCC4)cc32)c2cc(Br)ccc21 150624591 HLGPSUIZBXRITH-XYCMHOAJSA-N 641.588 4.343 10 10 KICE O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C\c1cc([N+](=O)[O-])c(N2CCOCC2)cc1N1CCOCC1 164061599 HLLGMLAMZJEDBT-NTFVMDSBSA-N 641.725 4.402 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc(N5CCOCC5)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)cc1OC 252668245 FARGUFZFRYLFSU-JGCGQSQUSA-N 642.778 4.060 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)cc3)c(=O)n2[C@H]1c1ccc(OCC)c(OC)c1 1772727960 KUCXSTBMDPTVHP-MHZLTWQESA-N 549.693 4.052 10 10 KICE CCOC(=O)c1c(NC(=O)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)sc2c1CCCC2 1860741513 OBZPAYNIOODPPJ-UHFFFAOYSA-N 502.548 4.156 10 10 KICE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C(F)(F)F)nn4C)[C@H]3c3ccc(Cl)cc3)CC2)cc1 1865087603 LBQWGCUBRFSAGC-LJQANCHMSA-N 547.965 4.144 10 10 KICE O=C1c2ccccc2C(=O)c2c(NC(=O)c3c[nH]c4c(I)cccc4c3=O)cccc21 1866444673 HKCZIEMARDWPTM-UHFFFAOYSA-N 520.282 4.160 10 10 KICE CSCC[C@@H](NC(=O)c1ccc(F)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867345333 VNNHYYXLLATLQM-JWQCQUIFSA-N 500.684 4.087 10 10 KICE CN(C)c1ccc([C@H](CNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)c2ccc([N+](=O)[O-])cc2)N2CCCCC2)cc1 1867357601 KXSHPRFGXIXJEB-WDYNHAJCSA-N 559.667 4.051 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCN(c5ccccc5OC)CC4)nc(C(C)C)n3)CC2)cc1 1867951465 MWHRBHIPHXZLFE-UHFFFAOYSA-N 502.663 4.270 10 10 KICE CCN(CC)CCCN1C(=O)C(NCc2ccc(C(=O)OC)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873164955 AAJVBNREVNGTJT-UHFFFAOYSA-N 542.680 4.482 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(F)cc3F)C(=O)N(CCCN3CCOCC3)C2=O)cc1 1873426329 ZRLKJKMEQYMHSB-UHFFFAOYSA-N 520.580 4.287 10 10 KICE O=C1C(=Cc2c(N3CCN(Cc4ccccc4)CC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccccc1 2296698817 XHYQFYDCOOZGMJ-UHFFFAOYSA-N 553.713 4.418 10 10 KICE COc1ccc(CN2C(=O)C(=Cc3c(NCCCn4ccnc4)nc4c(C)cccn4c3=O)SC2=S)cc1 2296706782 RWGFSXUZHKHGOS-UHFFFAOYSA-N 546.678 4.112 10 10 KICE CCOCCCN1C(=O)C(=Cc2c(N3CCN(c4ccc(F)cc4)CC3)nc3c(C)cccn3c2=O)SC1=S 2296732254 NCLQJURNPVOWGN-UHFFFAOYSA-N 567.712 4.096 10 10 KICE O=C1NC(=O)N(Cc2ccco2)C(=O)C1=Cc1cn(CCOc2ccc3c(c2)OCO3)c2ccc(Br)cc12 2313623860 GJYDZFYVXIVPHX-UHFFFAOYSA-N 578.375 4.467 10 10 KICE C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)CCN2C(=O)/C(=C/c3cccs3)SC2=S)[C@@H]2CCS(=O)(=O)C2)o1 101911259 RQHFZRIZNZIEDL-OTQKGQEOSA-N 550.749 4.272 10 10 KICE CCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccco1)=C(N)O2 1864019779 QRLZIGKEIJPECN-QFIPXVFZSA-N 520.973 4.162 10 10 KICE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)N2CCCC[C@@H]2C)[C@@H]3c2ccc(O)c(O)c2)cc1 1865031987 SNGVKONNKXYQQU-VBKZILBWSA-N 544.530 4.407 10 10 KICE CCCc1nn(CCC)c2c1[C@@H](c1ccccc1F)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865068216 GAKOVLFPPVZGGO-RUZDIDTESA-N 533.648 4.437 10 10 KICE COc1cc(C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c([N+](=O)[O-])cc1OC 1867802604 UIMRTBJIVZLGBR-XRKRLSELSA-N 619.719 4.068 10 10 KICE Cc1cc(=NC(=O)[C@@H]2CCCN2c2cc(Nc3cccc4c3C(=O)c3ccccc3C4=O)nc(C(C)C)n2)[nH]o1 1868228824 YEYYOCMXOLIVCB-QFIPXVFZSA-N 536.592 4.445 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)[C@@H](Cc3ccccn3)c3ccccc3)CC2)cc1 1868666021 ZZXDUSKAYGNAOS-WUFINQPMSA-N 532.710 4.003 10 10 KICE O=C1N=C(N2CCN(Cc3ccccc3)CC2)SC1=Cc1ccccc1OS(=O)(=O)c1ccccc1 2296262916 SLNJCVZISRMLCG-UHFFFAOYSA-N 519.648 4.242 10 10 KICE COc1ccccc1C=C1SC(=S)N(CCC(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)C1=O 2296652039 JBJLCKKRGZERTK-UHFFFAOYSA-N 560.704 4.183 10 10 KICE C[C@@H]1C[C@H]1c1ccc(CN(C(=O)CCN2C(=O)C(=Cc3ccccc3)SC2=S)[C@H]2CCS(=O)(=O)C2)o1 2314828804 LAIABXAHIRYFJZ-SLYNCCJLSA-N 544.720 4.210 10 10 KICE O=C(O)CCCN1C(=O)C(=Cc2cn(CC(=O)NCCc3ccccc3)c3ccccc23)SC1=S 2326945286 KTNQXPOEGNECAK-UHFFFAOYSA-N 507.637 4.066 10 10 KICE CCOCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2NCCc2ccccc2)SC1=S 40066411 WRUQULBOAZEYGX-JWGURIENSA-N 510.685 4.331 10 10 KICE CCOC(=O)c1ccc(N2N=C(C)/C(=C/c3ccc(OCC(=O)Nc4ccccc4C(=O)OC)c(OC)c3)C2=O)cc1 101574086 XZDLOVGYLNWESJ-JLPGSUDCSA-N 571.586 4.482 10 10 KICE COc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(CCCCCC(=O)O)C1=O 213168481 WFUQBPUBODEMDP-CYVLTUHYSA-N 525.608 4.342 10 10 KICE COc1ccc(C2=C(O)C(=O)N(c3ccccc3N3CCOCC3)[C@@H]2c2ccc(O)c(O)c2)c(OC)c1 526501433 OUGFJHJLSBWUBR-AREMUKBSSA-N 504.539 4.009 10 10 KICE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccco1)=C(N)O2 1864017128 GBUWRQYAFAOOCH-NRFANRHFSA-N 506.946 4.103 10 10 KICE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccncc1)=C(N)O2 1864019219 WLWHMVCXYSLQOU-QHCPKHFHSA-N 549.990 4.104 10 10 KICE COCCCN1C(=O)c2ccc(C(=O)N[C@@H](C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)c3ccccc3)cc2C1=O 1867516512 AJKYLLPTFDZDDI-AJQTZOPKSA-N 625.770 4.200 10 10 KICE CSCC[C@H](NC(=O)c1ccccc1F)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867854794 XTOHXUMLDLEFTP-DQEYMECFSA-N 500.684 4.087 10 10 KICE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OC 2313549459 WVTVMOCBRYAIKO-UHFFFAOYSA-N 524.165 4.204 10 10 KICE Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccc(F)cc4)C3=O)c(NC[C@H]3CCCO3)nc12 2314413945 LYPSGJISBCJJGE-GOSISDBHSA-N 510.616 4.134 10 10 KICE CCOc1cc(/C=C2\SC(=S)N(CCCCCC(=O)NCCCCCC(=O)O)C2=O)ccc1O 15044781 NWMASRYEKXFTHF-SILNSSARSA-N 508.662 4.314 10 10 KICE COc1ccc(N2CCN(c3ncnc4sc(C(=O)NCCc5ccc(OC)c(OC)c5)c(C)c34)CC2)cc1 100664757 XQYRSKVQQJOLII-UHFFFAOYSA-N 547.681 4.325 10 10 KICE Cc1ccc2nc(N3CCN(c4ccc(F)cc4)CC3)c(/C=C3/SC(=S)N(CCCCCC(=O)O)C3=O)c(=O)n2c1 100860340 MPBLIECKJHTIEW-HAVVHWLPSA-N 595.722 4.315 10 10 KICE CCSC1=NSC2=NC(=O)/C(=C/c3cc(OC)c(OCCOc4ccccc4OC)c(OC)c3)C(=N)N12 104485331 IGRASEVBUKZSSM-IAFZHPHWSA-N 542.639 4.500 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 252675493 UEMPXDCVOLNCIE-NDEPHWFRSA-N 558.679 4.411 10 10 KICE COc1ccc([C@H](C)NC(=O)C2=C(N)Oc3c(c(C)nn3Cc3ccccc3)[C@@H]2c2ccc(O)c(O)c2)cc1 1864008031 AFMXGGATVHJMIZ-QLXKLKPCSA-N 526.593 4.232 10 10 KICE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccncc1)=C(N)O2 1864012770 IWWHQEPXRTWILD-DEOSSOPVSA-N 546.027 4.355 10 10 KICE NC1=C(C(=O)NCc2cccs2)[C@@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3ccccn3)c2O1 1864016141 IGXWFFAMGFATHZ-QHCPKHFHSA-N 537.601 4.418 10 10 KICE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)NCCC(C)C)=C(N)O3)cc1 1864017531 OJFSROCQBMHGLZ-XMMPIXPASA-N 541.608 4.211 10 10 KICE CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOc1cc(C)cc(C)c1)=C(N)O2 1864020550 DIWKTEYSMNUFSS-XMMPIXPASA-N 520.630 4.019 10 10 KICE CSCC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(CC(C)C)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867423634 KWHYNQXYVSWDHV-FQLXRVMXSA-N 607.821 4.200 10 10 KICE COc1c(Br)c(C(=O)NCC(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c(Br)c(OC)c1OC 1867433959 QESWMYNWOHGVBX-LJQANCHMSA-N 656.416 4.377 10 10 KICE CCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N([C@@H](C)CC)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867580684 WGAZLGSAOKNNQD-PWUSVURUSA-N 575.754 4.389 10 10 KICE CC(C)CCn1cc(OCC(=O)N2CCOCC2)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1871036135 MFTUTJJOQWVGIM-UHFFFAOYSA-N 504.631 4.488 10 10 KICE COc1ccc(N2CCN(C(=O)c3cc4c(NCc5cccnc5)ncnc4n3Cc3ccccc3)CC2)cc1 1875216157 JJGWAHTTZKPOSG-UHFFFAOYSA-N 533.636 4.458 10 10 KICE CCOc1cc(C=C2SC(=S)N(Nc3ccc([N+](=O)[O-])cc3)C2=O)ccc1O[C@H](CC)C(=O)O 2314934614 ITFVSAKVMIMDDL-MRXNPFEDSA-N 503.558 4.464 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)C=Cc3cccc(Cl)c3)CC2)cc1 2330343076 KCZQUNVFAXQJHW-HHHXNRCGSA-N 520.029 4.144 10 10 KICE CCOCCCNc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(c2c(C)n(C)n(-c3ccccc3)c2=O)C1=O 100886006 QIJQFOUVGSRERB-OQKWZONESA-N 590.731 4.045 10 10 KICE CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3O)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 103518711 WZDFHMILTLGENP-RGFRMHDHSA-N 579.719 4.148 10 10 KICE Cc1ccc(OCCOc2ccc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2Cl)c(C)c1 104560023 BBLDPSIEXQEDGK-SVBOREBNSA-N 533.031 4.036 10 10 KICE CCC(=O)O[C@H]1[C@H](OC(=O)CC)[C@@](CO[P@]2(=O)OCC[C@H](c3cccc(Cl)c3)O2)(N=[N+]=[N-])O[C@H]1n1ccc(O)nc1=O 1772502525 DOIJDQFWSCXUHP-XSWMVBRCSA-N 627.931 4.084 10 10 KICE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCC1)=C(N)O2 1864012189 UFMMYKNTCHZOOH-QHCPKHFHSA-N 509.006 4.448 10 10 KICE CCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1864012408 ZHYRSJROXFTXQG-FQEVSTJZSA-N 503.386 4.179 10 10 KICE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccn1)=C(N)O2 1864012482 AORZTFAWEAXRLL-RUZDIDTESA-N 525.609 4.010 10 10 KICE CCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(C)cc1)=C(N)O2 1864017446 MPANHXYHMNBAIJ-AREMUKBSSA-N 540.620 4.216 10 10 KICE CCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cccs1)=C(N)O2 1864019076 VLORYTDMXOFVCO-HSZRJFAPSA-N 534.613 4.159 10 10 KICE Cc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOc3ccccc31)=C(N)O2 1865026553 PLTCJDXRMVHJMY-VWLOTQADSA-N 544.995 4.425 10 10 KICE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N2CCOc4ccccc42)[C@H]3c2ccc(O)c(O)c2)cc1 1865028526 WKRMBIYCNLJKJY-VWLOTQADSA-N 510.550 4.021 10 10 KICE COc1ccc(-n2nncc2C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 1866923706 GIFMXHNLPUULCA-MHZLTWQESA-N 589.583 4.170 10 10 KICE CSCC[C@@H](NC(=O)c1ccc2cc[nH]c2c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867673344 TYBSBTXBVCDGDD-VPUSJEBWSA-N 521.731 4.429 10 10 KICE CCC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867815883 KMDRWFBFLFPDCN-AOYPEHQESA-N 554.648 4.119 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)[C@@H](C)c3ccc(Br)cc3)C(C)C)CC2)cc1 1868829937 JETCYNZWTLFMKB-FDDCHVKYSA-N 502.453 4.051 10 10 KICE O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)[C@@H]1CCCN1S(=O)(=O)c1cccc(C(F)(F)F)c1 1892118452 HGDYINAGIBNNDA-HARLFGEKSA-N 507.578 4.164 10 10 KICE CCOC(=O)N1CCN(c2nc3c(C)cccn3c(=O)c2C=C2SC(=S)N([C@H](C)c3ccccc3)C2=O)CC1 2296144923 LYYNDXJQTXRAFL-LJQANCHMSA-N 563.705 4.244 10 10 KICE COc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCc1ccc(Cl)c(Cl)c1 2297345468 YVTZVDMDXYFWEF-UHFFFAOYSA-N 539.422 4.202 10 10 KICE CCCn1c(N2CCCCC2)c(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)c(C)c(C#N)c1=O 33813459 OGYJAEXVCWPJQQ-HKWRFOASSA-N 516.689 4.275 10 10 KICE O=C(CCN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)Nc1ccc(C(=O)O)c(O)c1 34715640 BMKAKJULKPIRRC-CXUHLZMHSA-N 507.387 4.083 10 10 KICE CC[C@@H](C)N1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2NCCc2ccc(OC)c(OC)c2)SC1=S 40066573 COQQSIAAWDBSEZ-VUZLNAKASA-N 526.684 4.237 10 10 KICE Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCCCCC(=O)O)C3=O)c(N3CCN(c4ccccc4F)CC3)nc12 109953425 GXSQVADCOLSMDJ-NKFKGCMQSA-N 595.722 4.315 10 10 KICE Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCc1ccccc1)=C(N)O2 1864008213 FYDVCUYDJSFTEC-MHZLTWQESA-N 524.621 4.485 10 10 KICE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOc3ccccc31)=C(N)O2 1865030040 AWVWZKHVBJKWPZ-HSZRJFAPSA-N 504.587 4.023 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)CC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 1868713992 XJDZOARFXALFLM-FQEVSTJZSA-N 507.581 4.349 10 10 KICE COc1ccc(N2CCN(c3cc(N(C(C)=O)c4ccccc4N4CCNCC4)nc(C(C)C)n3)CC2)cc1 1869097427 LIKHDWJHKSNCHY-UHFFFAOYSA-N 529.689 4.029 10 10 KICE O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)C1=Cc1cc([N+](=O)[O-])c(N2CCOCC2)cc1N1CCOCC1 2313547964 HLLGMLAMZJEDBT-UHFFFAOYSA-N 641.725 4.402 10 10 KICE O=C(NN1C(=O)/C(=C2\C(=O)N(Cc3ccccc3Cl)c3ccccc32)SC1=S)c1ccncc1 33329939 JRRYHMCRVYCGJO-FMQUCBEESA-N 506.996 4.198 10 10 KICE CCc1ccccc1OCCOc1ccc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC)cc1Cl 101395749 JNKMRFPBQBHUPI-PKDRVQFCSA-N 547.058 4.372 10 10 KICE CCCCn1c(N2CCN(C)CC2)c(/C=C2\SC(=S)N(Cc3ccc(F)cc3)C2=O)c(C)c(C#N)c1=O 110529193 QRRJENGDKIYTDV-HAHDFKILSA-N 539.702 4.121 10 10 KICE CCc1ccc(N2C(=O)[C@@H]3[C@H](c4cc(Br)ccc4O)N[C@@](C(=O)O)(c4ccccc4)[C@@H]3C2=O)cc1 252012393 SWSBHDDBZPQGLN-FAWUNYRSSA-N 535.394 4.147 10 10 KICE CCc1sc(NC(=O)C(=O)N[C@H](C(=O)O)[C@H](C)CC)c(C(=O)OC)c1-c1ccc(Br)cc1 1860763960 UGKJHWHXYMYYBE-DIFFPNOSSA-N 525.421 4.081 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)CCCOc3ccccc3C)CC2)cc1 1862228108 SCRMSROGGRTUBP-MUUNZHRXSA-N 515.654 4.239 10 10 KICE Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOc1ccccc1)=C(N)O2 1864008276 HJKCECVMSBNYTG-DEOSSOPVSA-N 532.984 4.135 10 10 KICE C[C@@H](NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2C)[C@@H]1c1ccc(O)c(O)c1)c1ccc2c(c1)CCCC2 1864014850 DXYLXALWEUMSDG-XCLFUZPHSA-N 528.531 4.301 10 10 KICE CCCCCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2CCC)[C@H]1c1ccc(O)c(O)c1 1864017820 WCDGQIYCJMTLBX-JOCHJYFZSA-N 506.603 4.381 10 10 KICE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C)C1)=C(N)O2 1865030728 PLCGIYSNFJVPMR-OSPHWJPCSA-N 520.605 4.387 10 10 KICE CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1cccc(F)c1 1865553588 UJBCUWKEZTYTQB-DEOSSOPVSA-N 519.621 4.047 10 10 KICE O=C(CS(=O)(=O)c1cccc(Cl)c1)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866885911 TWGUYPQOXPUKIP-SANMLTNESA-N 587.053 4.255 10 10 KICE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4cccc(OC)c4)cn3Cc3ccco3)CC2)cc1 1870608563 MMNMAHDFYXUIHQ-UHFFFAOYSA-N 515.610 4.408 10 10 KICE CCCCC[C@H](CC)NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCN2CCOCC2)C1=O 1873167103 SAFHLRIIOFZBMX-VWLOTQADSA-N 506.691 4.455 10 10 KICE COC(=O)COc1c(Br)cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1I 2313559858 ZEJDRDDVMLVXGO-UHFFFAOYSA-N 664.044 4.034 10 10 KICE CCOC(=O)c1ccc(NC(=O)CCCN2C(=O)C(=Cc3ccc(O)c(OC)c3)SC2=S)cc1 2314831617 OOTLKYNKWRQSJV-UHFFFAOYSA-N 500.598 4.198 10 10 KICE CC(C)(C)C(=O)OC[C@H]1O[C@@H](N=[N+]=[N-])[C@@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C 5848046 ZRIINKFKQWXADE-RSJGLCBASA-N 541.642 4.485 10 10 KICE COc1ccc(OCCCOc2ccc(/C=C3\C(=N)N4C(SC)=NSC4=NC3=O)cc2OC)cc1 96450568 ZVJFEWUFHMUQPU-MRKXPFMVSA-N 512.613 4.491 10 10 KICE CCCn1c(N2C[C@H](C)O[C@H](C)C2)c(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)c(C)c(C#N)c1=O 110527891 ZPLSTGHJEZKHGB-MLROBQRVSA-N 566.705 4.182 10 10 KICE CCCCn1c(N2CCN(CC)CC2)c(/C=C2\SC(=S)N(CCc3ccc(OC)cc3)C2=O)c(C)c(C#N)c1=O 110529031 LYEBVVZSCPDOKS-XHPQRKPJSA-N 579.792 4.423 10 10 KICE CC[C@H]([C@H](C)O)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@H]5CO[C@](Cn6cncn6)(c6ccc(F)cc6F)C5)cc4)CC3=O)cc2)c1=O 504665244 ZZDLBPMUUVZXAY-UKSLITFYSA-N 714.774 4.100 10 10 KICE CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCc1cccnc1)[C@H]2c1ccc(O)c(O)c1 1864016241 KFKWCWHHHSOCFL-QHCPKHFHSA-N 511.582 4.023 10 10 KICE CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1)=C(N)O2 1864018074 BXROHHKZQSQPQY-DEOSSOPVSA-N 514.557 4.055 10 10 KICE NC1=C(C(=O)N2CCCCC2)[C@@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3ccccn3)c2O1 1865031463 HKZHTZZEZZTRSD-QHCPKHFHSA-N 509.566 4.053 10 10 KICE Cc1ccc(CC(=O)N[C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1Br 1867229923 DJEQCRJGWTYVTQ-HNNXBMFYSA-N 505.368 4.219 10 10 KICE CCCC[C@@H](NC(=O)c1ccc(OC)c(OC)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867307154 FDFUMYGGCKATJD-FTJBHMTQSA-N 524.706 4.402 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)C[C@@H](C)c3cccc(OC)c3)CC2)cc1 1868941238 HKLTWDNHXFZYGI-MNNSJKJDSA-N 533.644 4.413 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCNC(=O)[C@H]4c4ccc(F)cc4)nc(-c4ccc(F)cc4)n3)CC2)cc1 1869286593 IQCPLCRZSOIQKT-GDLZYMKVSA-N 556.617 4.435 10 10 KICE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccc(Cl)cc4Cl)cn3CCO)CC2)cc1 1870343485 OBIPKMNRFWOULK-UHFFFAOYSA-N 518.441 4.057 10 10 KICE CCn1c(N2C[C@H](C)O[C@H](C)C2)c(/C=C2/SC(=S)N(Cc3ccc(F)cc3)C2=O)c(C)c(C#N)c1=O 33475397 RWQLNCFARKHMKK-KMJGPLHSSA-N 526.659 4.202 10 10 KICE CCN(CC)c1ccc(CN(C(=O)C(C)C)C2CC2)c(OS(=O)(=O)c2ccc(NC(C)=O)cc2)c1 37423107 NPBGQWFOBDMGJZ-UHFFFAOYSA-N 501.649 4.406 10 10 KICE CC[C@@H](C)c1ccccc1OCCOc1ccc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc1 104558665 XFYJHDQYOWKWID-BTYRHFEPSA-N 526.640 4.279 10 10 KICE C[C@H]1CCCCN1C(=O)Cn1cc(/C=C2/C(=O)N(C)c3ccc(S(=O)(=O)N4CCOCC4)cc32)c2cc(Br)ccc21 150624594 HLGPSUIZBXRITH-WNFNFYEPSA-N 641.588 4.343 10 10 KICE CCOc1cccc(C2=C(O)C(=O)N(c3cc(C(=O)OC)ccc3C(=O)OC)[C@H]2c2ccc(O)c(O)c2)c1 526601225 MOCBJTBVSJGXNV-DEOSSOPVSA-N 519.506 4.127 10 10 KICE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2ccc(CC(=O)OC)cc2)[C@H]1c1ccc(O)c(O)c1 526627226 TZTVVESWXSDRLP-VWLOTQADSA-N 505.523 4.278 10 10 KICE COC(=O)c1c(NC(=O)C(=O)NCCc2nc3ccc(F)cc3[nH]2)sc(C)c1-c1ccc(C)c(C)c1 1860766537 DEPBOYOFCYTIPP-UHFFFAOYSA-N 508.575 4.440 10 10 KICE Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(Cl)c1)=C(N)O2 1864007142 GRALBEYJSPLBJJ-HSZRJFAPSA-N 502.958 4.256 10 10 KICE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)NC2CC2)=C(N)O3)cc1 1864017584 PIQCBZAJSJFECF-RUZDIDTESA-N 538.604 4.300 10 10 KICE Cc1ccc(CNC(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3-c3ccccn3)[C@H]2c2ccc(O)c(O)c2)cc1 1864022517 NPXPAFWHZCRGFS-HXUWFJFHSA-N 537.498 4.017 10 10 KICE Cc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCc3ccccc31)=C(N)O2 1865027283 XIJVUQKLAFFUJU-SANMLTNESA-N 526.568 4.464 10 10 KICE CCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@@H](C)C1)=C(N)O2 1865034813 FGHWYAYPLUHDKC-XVTZWQNCSA-N 520.605 4.243 10 10 KICE CN(C)c1ccc([C@H](CNC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc([N+](=O)[O-])cc2)N2CCCCC2)cc1 1867360175 ICHGSIRYRDGEBA-WDYNHAJCSA-N 543.668 4.345 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)c3cc(-c4ccc(F)c(F)c4)[nH]n3)CC2)cc1 1868934281 DZCKCIPVMKYZGV-NDEPHWFRSA-N 545.590 4.053 10 10 KICE Cc1ccc2nc(NC[C@@H]3CCCO3)c(C=C3SC(=S)N(Cc4ccc(F)cc4)C3=O)c(=O)n2c1 2314413846 JAVNVBZNDNNHLX-SFHVURJKSA-N 510.616 4.134 10 10 KICE CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc(Br)c1OCC(=O)N1CCOCC1 2314764492 DSTAKTJBQCFGLA-UHFFFAOYSA-N 640.965 4.285 10 10 KICE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cc(Br)cc(I)c1O 100455558 OBMKPSDWCUPIEN-SDQBBNPISA-N 591.981 4.188 10 10 KICE CCOc1cc(/C=C2\SC(=S)N(CCCCCC(=O)OC)C2=O)ccc1OCC(=O)N1CCCCC1 206713743 NUXSMIYJYAUJDT-XLNRJJMWSA-N 534.700 4.411 10 10 KICE CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])o3)C2=O)c1 1083943364 OGZZEZBYWJIWNK-PDGQHHTCSA-N 536.453 4.227 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(C(C)(C)C)cc3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 1084214663 FXWACXPCWUBIRG-RUZDIDTESA-N 503.668 4.162 10 10 KICE COc1cc(OC)cc(C(=O)Nc2cccc(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)n2)c1 1860551117 ABWLNNZPRGTLGF-UHFFFAOYSA-N 507.502 4.379 10 10 KICE CCCCOCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2cccc(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1864009029 XVYWVIHRAKNDNK-QHCPKHFHSA-N 527.021 4.263 10 10 KICE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(C)cc1)=C(N)O2 1864013859 HQFGAWQYIYOFMK-XMMPIXPASA-N 504.631 4.265 10 10 KICE CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCc1ccccc1)=C(N)O2 1864014365 SVXRWQFUIVAZHH-VWLOTQADSA-N 525.609 4.075 10 10 KICE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCc1ccc(OC)cc1)[C@H]2c1ccc(O)c(O)c1 1864016393 NXELUQDPPUUXAM-QHCPKHFHSA-N 512.566 4.001 10 10 KICE CCCc1nn(CC)c2c1[C@H](c1cccc(OCC)c1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865246035 MRCNZCCDOOQXJB-SANMLTNESA-N 545.684 4.306 10 10 KICE CCN(CC)c1ccc([C@H]2C(C(=O)N3CCN(c4ccc(OC)cc4)CC3)=C(N)Oc3c2c(C)nn3CC)cc1 1865428160 JCNWAOUJRLGIOJ-HHHXNRCGSA-N 544.700 4.110 10 10 KICE COc1ccc(N2CCN(C(=O)c3cc(Br)c(NC(C)=O)c(Br)c3)CC2)cc1 1866350072 AFJZVICLJVSJLT-UHFFFAOYSA-N 511.214 4.141 10 10 KICE CC(=O)Oc1ccc(C[C@H](NC(=O)Cc2sc(C)nc2C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 1866571142 URHBFUVXHXLBIE-SANMLTNESA-N 581.650 4.369 10 10 KICE O=C(CCC(=O)N1CCC[C@@H]1c1nc2ccccc2s1)NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1868152033 RTPONPAEWGWHNF-HSZRJFAPSA-N 566.639 4.270 10 10 KICE CCCC[C@H](NC(=O)[C@H](Cc1ccccn1)c1ccccc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868663930 LMNIOBVZQAIPKH-WDYNHAJCSA-N 514.670 4.440 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCC(c5nc(C)n(C)n5)CC4)nc(-c4ccccc4)n3)CC2)cc1 1869206961 ZGHCVFOOXQGDDZ-UHFFFAOYSA-N 524.673 4.300 10 10 KICE COc1ccc(N2CCN(C(=O)c3cc4c(NCCCCN5CCCC5)ncnc4n3Cc3ccco3)CC2)cc1 1875236286 IRVGHYBSTIFZMD-UHFFFAOYSA-N 557.699 4.332 10 10 KICE CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OCCOc4ccc(C)c(C)c4)c(Cl)c3)C(=N)N21 2297345631 NOXGVYASNCABRN-UHFFFAOYSA-N 547.058 4.426 10 10 KICE CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 103754700 PTIGSHLUUQWACS-KEBLUXQBSA-N 569.683 4.019 10 10 KICE C=CCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CCC)c2N2CCN(Cc3ccccc3)CC2)SC1=S 110525145 WJWMJOOEFOMQCM-ULJHMMPZSA-N 533.723 4.148 10 10 KICE CCOc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc1I 1084608349 ZHUMLBWBXSVNNF-ZROIWOOFSA-N 557.207 4.284 10 10 KICE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(F)cc1)=C(N)O2 1864007451 NDADUEXCTKXNHM-QHCPKHFHSA-N 520.948 4.395 10 10 KICE CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(Cl)cc1)=C(N)O2 1864012527 CBMFJZAROVAWBQ-QHCPKHFHSA-N 532.000 4.295 10 10 KICE CCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccccc1)=C(N)O2 1864020013 UDWQORUAWSAASE-SANMLTNESA-N 524.621 4.267 10 10 KICE Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C)CC1)=C(N)O2 1865025780 DQNHTNKMYPJSME-HSZRJFAPSA-N 526.996 4.397 10 10 KICE CCCc1nn(CCC)c2c1[C@@H](c1cccs1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865324749 IBMJWECXFSAKHH-XMMPIXPASA-N 521.687 4.359 10 10 KICE CN(C)c1ccc([C@H](CNC(=O)C(C)(C)NC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)N2CCCCC2)cc1 1867533402 FBETXWZRLOAUNN-LJAQVGFWSA-N 581.717 4.405 10 10 KICE CC(=O)Oc1ccc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867718617 NFXFYCPHUDJLJS-IOWSJCHKSA-N 572.706 4.068 10 10 KICE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccc(F)cc4)cn3C[C@H]3CCCO3)CC2)cc1 1870623454 QCXLBVGHSLFSDT-HHHXNRCGSA-N 507.606 4.076 10 10 KICE COc1ccc(CCN2C(=O)/C(=C\c3c(N4C[C@H](C)O[C@@H](C)C4)nc4c(C)cccn4c3=O)SC2=S)cc1OC 100850389 KNBFAFNWTJWMIX-XLXMKANJSA-N 580.732 4.078 10 10 KICE O=C1N=C(N2CCCCC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 101013209 RLAXFGXZLRMXAN-PLRJNAJWSA-N 563.705 4.016 10 10 KICE C[C@@H](O)CNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc3ccccc23)[C@@H]1c1ccc(O)c(O)c1 1864015100 JNNIBZQEVZMZEL-DWXRJYCRSA-N 548.599 4.295 10 10 KICE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCc1cccs1)[C@H]2c1ccc(O)c(O)c1 1864016632 UKBNYVBPWKRJGN-NRFANRHFSA-N 502.596 4.096 10 10 KICE CCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1F)=C(N)O2 1864019548 LUMFLOUKPIPCGO-DEOSSOPVSA-N 514.557 4.055 10 10 KICE CCc1nn(CC(C)C)c2c1[C@H](c1cccs1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865331192 DBROARONVYPTQO-DEOSSOPVSA-N 521.687 4.215 10 10 KICE C[C@H](NC(=O)CCc1csc(-c2ccncc2)n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867053046 KIASGIJHIRJVSA-INIZCTEOSA-N 510.575 4.057 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)Cc3nc(-c4ccc(C(C)C)cc4)oc3C)CC2)cc1 1868995416 ZRELIXRIXSMFNA-HXUWFJFHSA-N 504.631 4.178 10 10 KICE CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2C=C2SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1 2296848620 MAGNIAXBDMIADW-QGZVFWFLSA-N 555.703 4.173 10 10 KICE COc1ccc(CN2C(=O)/C(=C\c3c(N4CCC(C)CC4)nc4ccccn4c3=O)SC2=S)cc1 33468381 XLANZZJUGZBSDT-RCCKNPSSSA-N 506.653 4.341 10 10 KICE CCCCn1c(NCCc2ccc(OC)c(OC)c2)c(/C=C2\SC(=S)N(C)C2=O)c(C)c(C#N)c1=O 40066937 QHNPJTIHWJIHJS-HMAPJEAMSA-N 526.684 4.331 10 10 KICE C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)/C(=C/c2cccc(Oc3ccccc3)c2)SC1=S 101971460 MXJJXFPIMYUKAO-GRVPHDJPSA-N 539.660 4.355 10 10 KICE COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(\C)NCCOc2ccccc2OC)cc1 205965530 RNIYAOUHBXTXJT-XIEYBQDHSA-N 502.527 4.306 10 10 KICE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccccc1)=C(N)O2 1864009552 AMYJDXWXNDENAB-RUZDIDTESA-N 510.594 4.290 10 10 KICE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccco1)=C(N)O2 1864013511 XMCZLMXUJOVGCS-XMMPIXPASA-N 514.582 4.208 10 10 KICE CCCCOCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1864014894 FSNTXBMDAVKYCO-FQEVSTJZSA-N 546.546 4.320 10 10 KICE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)N1CCCCC1)[C@H]2c1ccc(O)c(O)c1 1865033909 KEXKQKVSLZLZQJ-QFIPXVFZSA-N 504.587 4.087 10 10 KICE COc1ccc(N2CCN(c3cc(N(CCO)Cc4ccccc4)nc(Cc4ccccc4)n3)CC2)cc1 1867946273 JTONEYCLEZSTCY-UHFFFAOYSA-N 509.654 4.402 10 10 KICE CCC[C@@H](NC(=O)CCCC(=O)c1ccc(Br)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868736485 XLXNYRHWVWDQCM-XMMPIXPASA-N 544.490 4.444 10 10 KICE CCOC(=O)c1ccc(CN2C(=O)C(NC[C@H]3CCCO3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873166267 JKKCTWFVJULBOV-AREMUKBSSA-N 527.621 4.320 10 10 KICE CCCCN(CCC)c1ncnc2c1cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2CCOC 1873558850 ZYVUNMCNZWQUEG-UHFFFAOYSA-N 508.667 4.065 10 10 KICE CC(C)(C)OC(=O)NCCC(CCNC(=O)OC(C)(C)C)NCc1cc(Br)ccc1O 2025354982 NNALDWAQOAYMQO-UHFFFAOYSA-N 502.450 4.443 10 10 KICE Cc1ccc(C=C2SC(=S)N(CCC(=O)NCCN3CCN(C(=O)CCN4C(=O)C(=Cc5ccc(C)cc5)SC4=S)CC3)C2=O)cc1 2295923710 JTGQMSBHUJZORY-UHFFFAOYSA-N 707.969 4.447 10 10 KICE CCC(=CC(=O)N[C@@H](C)C(=O)N1CCN(c2ccc(OC)cc2)CC1)c1cc(Br)ccc1OC 2331512719 JVDVTHWLGCUQHR-SFHVURJKSA-N 530.463 4.113 10 10 KICE CC[C@@H](C)N1C(=O)/C(=C\c2c(NCc3ccc4c(c3)OCO4)nc3ccc(C)cn3c2=O)SC1=S 33744131 AVJZCIXKTBDMPG-IXJMWADBSA-N 508.625 4.343 10 10 KICE O=C1/C(=C/c2cccs2)SC(=S)N1CCC(=O)N(Cc1c(F)cccc1Cl)[C@@H]1CCS(=O)(=O)C1 101283006 HQHWHSRCILYEHD-AXLWCPOOSA-N 559.131 4.348 10 10 KICE CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1 103753148 KQCDMSRADDCNMJ-KJANZVAVSA-N 539.657 4.010 10 10 KICE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCc4ccccc4)c(Br)c3)C(=N)N21 104561563 XERSWKCWQIRBPU-HTYYESGYSA-N 533.429 4.039 10 10 KICE COc1ccc(CCN2C(=O)/C(=C/c3c(C)c(C#N)c(=O)n(C)c3N3CCN(c4ccccc4F)CC3)SC2=S)cc1 110520289 KBYFLOFNEALPCV-IMRQLAEWSA-N 603.745 4.484 10 10 KICE CC(C)NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2Cl)[C@H]1c1ccc(O)c(O)c1 1864014699 AKEBDYHQDPXVCN-QGZVFWFLSA-N 522.911 4.234 10 10 KICE CCCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC1)=C(N)O2 1865030629 NHIBRAUWMSZZPO-QFIPXVFZSA-N 509.006 4.266 10 10 KICE CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCCC[C@H]1CCO)[C@H]2c1ccc(O)c(O)c1 1865032085 VHUUYGCCJVIKKY-URXFXBBRSA-N 532.641 4.075 10 10 KICE CC[C@H](NC(=O)c1sc(CNC(=O)OC(C)(C)C)nc1C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867079939 OKFYMPLIPNIJHN-IBGZPJMESA-N 562.648 4.399 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)[C@H]3CCCN3Cc3ccccc3F)CC2)cc1 1868817456 UNFSOKDHTNNADU-XZWHSSHBSA-N 562.661 4.014 10 10 KICE CC[C@](C)(NC(=O)[C@@H](C)c1ccc(Br)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868833310 MIKAZCGKTACIAR-BVZFJXPGSA-N 502.453 4.195 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)c4cc(OC)cc(OC)c4)n(-c4ccc(C)cc4)n3)CC2)cc1 1869969493 DCHSHUSIWCLYCW-UHFFFAOYSA-N 528.613 4.180 10 10 KICE CCN(CC)c1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCNC(C)=O)C2=O)cc1 1873422109 GOXNLGXKVYDHFF-UHFFFAOYSA-N 513.642 4.268 10 10 KICE CN(C)c1ccc(C=C2C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)cc1Br 2294259264 YRPBJUJIYQKHIT-UHFFFAOYSA-N 509.223 4.109 10 10 KICE CCN1C(=O)C(=C2SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)c2cc(Br)ccc21 2314765217 XYEPCWHBIXBCQI-UHFFFAOYSA-N 502.415 4.040 10 10 KICE Cc1ccc(NC(=O)COc2ccc(Br)cc2C=C2SC(=S)N(CCC(=O)O)C2=O)cc1 2314842182 DQKSPAGXMGCTOQ-UHFFFAOYSA-N 535.441 4.451 10 10 KICE CC[C@@H](Oc1ccc(C=C2SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)cc1OC)C(=O)O 2314934144 YICKYZKQLIIVNY-OAHLLOKOSA-N 551.440 4.246 10 10 KICE COc1ccc(N2CCN(C(=O)c3ccc4c(c3)NC(=O)[C@H](CSCc3cccc(F)c3)N4)CC2)cc1 9505291 QDJHEZDRZWBBSE-SANMLTNESA-N 520.630 4.463 10 10 KICE CCOC(=O)N(C)CCc1cc2c(c(OC)c1/C=C1\C(=O)N(c3ccc(C)c(C)c3)C(=O)N=C1O)OCO2 33614254 AWSFOPDADFZTAQ-MOSHPQCFSA-N 523.542 4.178 10 10 KICE COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(I)c1OCc1ccc(C(=O)O)cc1 1083923266 MOSOABRYQJDUBL-GRSHGNNSSA-N 616.339 4.383 10 10 KICE COC(=O)c1c(NC(=O)[C@@H](C)N2C(=O)c3cccnc3C2=O)sc(C)c1-c1ccc(Br)cc1 1866240252 HRNRSDOFAHNMOI-LLVKDONJSA-N 528.384 4.291 10 10 KICE CC[C@H](NC(=O)c1ccccc1Br)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867381017 SDIOEZLBVKJYEF-ZEQRLZLVSA-N 515.496 4.367 10 10 KICE O=C(CC[C@@H]1NC(=O)N(c2cccc3ccccc23)C1=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874017731 URBJVVVPBNXNNJ-QHCPKHFHSA-N 503.514 4.459 10 10 KICE CCOc1ccccc1NC(=O)CCN1C(=O)C(=Cc2cc(OC)c(OC)c(OC)c2)SC1=S 2296753615 QBRLOIMGWIFRDG-UHFFFAOYSA-N 502.614 4.341 10 10 KICE CCOC(=O)C1CCN(c2nc3c(C)cccn3c(=O)c2C=C2SC(=S)N(Cc3ccc(C)cc3)C2=O)CC1 2296937091 OLBPYDNZHMESHY-UHFFFAOYSA-N 562.717 4.492 10 10 KICE COc1ccc(C=C2SC(=S)N(CC(=O)NC[C@H](c3ccc(OC)cc3)N3CCCCC3)C2=O)cc1 2314625200 LGAKKHHXWAFSBM-HSZRJFAPSA-N 525.696 4.248 10 10 KICE COc1ccc(N2CCN([C@H](c3cccs3)[C@H](C)NC(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc1 57015874 XYYBPNFJZVZWQP-SIBVEZHUSA-N 525.671 4.464 10 10 KICE O=C(O)CC[C@@H](C(=O)O)N1C(=O)/C(=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(F)cc2)SC1=S 101965228 VNCBYGFHDXIXDM-PMFHANACSA-N 552.989 4.016 10 10 KICE NC1=C(C(=O)NCc2ccco2)[C@@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(Cc3ccccc3F)c2O1 1864022568 OWJKCSIADHLEOS-IBGZPJMESA-N 544.461 4.105 10 10 KICE CN(C)c1ccc([C@@H](CNC(=O)[C@@H](CO)NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)N2CCCCC2)cc1 1867660174 QWYRJBAOHZKCTB-DHIUTWEWSA-N 574.566 4.224 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](CSCc3ccccc3)NC(=O)c3cc(-c4ccco4)on3)CC2)cc1 1868632437 TZYYDAOSTHCVBK-RUZDIDTESA-N 546.649 4.324 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](CSCc3ccccc3)NC(=O)[C@@H](c3ccccc3)N(C)C)CC2)cc1 1868676073 JXNLFSXTJCDIBE-URLMMPGGSA-N 546.737 4.065 10 10 KICE CC[C@](C)(NC(=O)[C@H](C)c1ccc(Br)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868833311 MIKAZCGKTACIAR-CJAUYULYSA-N 502.453 4.195 10 10 KICE COc1ccc(N2CCN(C(=O)c3cc4c(N5CCCCC5)ncnc4n3Cc3ccccc3)CC2)cc1 1873555519 APBBCROBKFXDTK-UHFFFAOYSA-N 510.642 4.441 10 10 KICE CCc1ccc(N2NC(=O)C(=Cc3ccc(-c4ccc(S(=O)(=O)Nc5nccs5)cc4)o3)C2=O)cc1 2297458397 PTVQPHPDSPDXHB-UHFFFAOYSA-N 520.592 4.228 10 10 KICE CCOc1cc(C=C2C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OC(=O)c1ccc(OC)cc1 2297468432 PJCFPPDKHWAYJZ-UHFFFAOYSA-N 527.562 4.376 10 10 KICE COC(=O)CCCCCN1C(=O)C(=Cc2ccc(OCC(=O)N3CCCCC3)c(OC)c2)SC1=S 2314753557 BAOPDXNNMKDQJA-UHFFFAOYSA-N 520.673 4.021 10 10 KICE CCOc1ccc(NC(=O)CCCN2C(=O)/C(=C/c3cc(OC)c(O)c(OC)c3)SC2=S)cc1 15040054 OEXCHQUMMUEOPP-ZHZULCJRSA-N 502.614 4.428 10 10 KICE C/C(NCCCCN[C@H](C)[C@@H]1N=C(c2ccc(Cl)cc2)OC1=O)=C1/N=C(c2ccc(Cl)cc2)OC1=O 100095531 IPFLJLUJCGYYEL-MDXOMJCOSA-N 529.424 4.248 10 10 KICE CCOC(=O)C1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N(Cc3ccccc3)C2=O)CC1 103721403 FKPPPRPQMGBYFX-CJLVFECKSA-N 548.690 4.184 10 10 KICE COc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC(C)C)ccc1OCc1cccc(C)c1 104562289 IWZUIRQCGBTKOD-ULZOKRSMSA-N 526.640 4.230 10 10 KICE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccn1)=C(N)O2 1864009798 DZRCVHFFPXKFFJ-HSZRJFAPSA-N 532.000 4.295 10 10 KICE C[C@H]1CN(C(=O)C2=C(N)Oc3c(c(-c4ccccc4)nn3-c3ccccc3)[C@H]2c2ccc(O)c(O)c2)C[C@@H](C)O1 1865030815 RPMCDZKWUDUCTQ-HHJKRLRDSA-N 538.604 4.281 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCN(c5cccc(OC)c5)CC4)nc(C(C)C)n3)CC2)cc1 1867951398 JUYANEZUMHFOFY-UHFFFAOYSA-N 502.663 4.270 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)[C@@H](C)c3ccc(Br)cc3)CC2)cc1 1868837411 DAWLPDQWFVMZEZ-CCLHPLFOSA-N 566.496 4.343 10 10 KICE COC(=O)COc1ccccc1C=C1C(=O)NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O 2297555788 XDASJSMVJZKHEE-UHFFFAOYSA-N 514.578 4.373 10 10 KICE CC[C@H](Oc1ccc(C=C2SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)cc1OC)C(=O)O 2314932524 NKYKSJIHQWZTFG-HNNXBMFYSA-N 506.989 4.137 10 10 KICE CCCCn1c(N2CCN(c3ccccc3)CC2)c(/C=C2\SC(=S)N(CCOC)C2=O)c(C)c(C#N)c1=O 110531118 DNKPYYRTOZOXRD-MOHJPFBDSA-N 551.738 4.003 10 10 KICE COc1ccc(CN2C(=O)/C(=C\c3c(N4CCN(Cc5ccc6c(c5)OCO6)CC4)nc4ccccn4c3=O)SC2=S)cc1 210648933 PBXVACODAKSZSM-WPWMEQJKSA-N 627.748 4.155 10 10 KICE COc1cc(N2C(=O)C(O)=C(c3cccc(OC)c3OC)[C@H]2c2ccc(O)c(O)c2)cc(OC)c1OC 526633985 YFWQOUYVIYGJAK-HSZRJFAPSA-N 509.511 4.198 10 10 KICE CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(Cl)cc1)=C(N)O2 1864013131 QRXCJUSKCYIVJY-XMMPIXPASA-N 546.027 4.338 10 10 KICE Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCc1ccc(Cl)cc1)[C@@H]2c1ccc(O)c(O)c1 1864016610 UCLHCLBDFKNBRI-JOCHJYFZSA-N 516.985 4.205 10 10 KICE CCCC[C@@H](NC(=O)c1cc(-c2ccco2)n(C)n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867245769 WFFUOEBQCQBANR-OAQYLSRUSA-N 510.550 4.383 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)[C@H](c3ccc(OC)c(OC)c3)C(C)C)CC2)cc1 1868864684 YWRZCFYCPGTOAL-SQHAQQRYSA-N 543.730 4.039 10 10 KICE CCN(CC)CCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccccc2OC)C1=O 1873169392 MPOMAVAGRCMERH-UHFFFAOYSA-N 500.643 4.314 10 10 KICE COc1ccc(C=C2SC(=S)N(CC(=O)OCC(=O)Nc3cc(Cl)cc(Cl)c3)C2=O)cc1 2042434318 JHLUPOBNWQPCHF-UHFFFAOYSA-N 511.408 4.385 10 10 KICE CCOC(=O)c1ccc(NC(=O)CN2C(=O)C(=C3SC(=S)N(Cc4ccco4)C3=O)c3ccccc32)cc1 2296539156 GJSYIEMHLIMXGQ-UHFFFAOYSA-N 547.614 4.213 10 10 KICE COc1ccc(N2CCN(c3ncnc4sc(C(=O)N5CCN(c6ccccc6OC)CC5)c(C)c34)CC2)cc1 100664875 POFXWRHJJJGORH-UHFFFAOYSA-N 558.708 4.306 10 10 KICE Cc1c(NC(=O)CN2C(=O)/C(=C3/SC(=S)N(Cc4ccc(F)cc4)C3=O)c3ccccc32)c(=O)n(-c2ccccc2)n1C 102842263 RDABAWHMDHSADG-IMVLJIQESA-N 613.696 4.380 10 10 KICE COc1ccc(-n2nncc2C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 1866923705 GIFMXHNLPUULCA-HHHXNRCGSA-N 589.583 4.170 10 10 KICE CC(C)c1ccc([C@H](C(=O)N[C@H](CO)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C(C)C)cc1 1866960333 FOKOOKZZHINWPU-CLJLJLNGSA-N 512.606 4.441 10 10 KICE CCCC[C@@H](NC(=O)c1ccc(OC)c(OC)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867307153 FDFUMYGGCKATJD-CLJLJLNGSA-N 524.706 4.402 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)c3nc(CC(C)C)n4ccccc34)CC2)cc1 1868780193 VVMDEBKFSHZMLD-HHHXNRCGSA-N 557.670 4.370 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)Cc3cc(-c4ccccc4)on3)CC2)cc1 1868811653 WYPVLFWGCQTFRW-NDEPHWFRSA-N 542.611 4.108 10 10 KICE COc1ccc(Cn2cc(OCCOC(C)C)c(=O)cc2CN2CCN(c3ccc(OC)cc3)CC2)cc1 1870551715 XVXSTBQQGXZLNE-UHFFFAOYSA-N 521.658 4.040 10 10 KICE C[C@H](NC(=O)CCCCCN1C(=O)C(=Cc2cc(Br)cc(Br)c2O)SC1=S)C(=O)O 2314836640 HVLFHSJTGAZTIF-JTQLQIEISA-N 580.320 4.268 10 10 KICE CCCN1C(=O)/C(=C\c2c(N3CCN(c4ccccc4F)CC3)nc3ccc(C)cn3c2=O)SC1=S 33339620 OEJUJIVWSOBLMO-RCCKNPSSSA-N 523.659 4.080 10 10 KICE COCCN(CC(=O)N1N=C(c2cccn2C)C[C@H]1c1ccc(F)cc1)C(=O)Nc1ccccc1OC 35963303 VGESUAJNAJEMKR-DEOSSOPVSA-N 507.566 4.031 10 10 KICE CCCCCCN1C(=O)/C(=C/c2c(N3CCN(C(=O)OCC)CC3)nc3ccc(C)cn3c2=O)SC1=S 105444922 FMELSIDVUFKKGA-SILNSSARSA-N 543.715 4.063 10 10 KICE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccco1)=C(N)O2 1864012620 FLRFSKVAPVKFCI-HSZRJFAPSA-N 518.545 4.038 10 10 KICE CCCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(OC)cc1)=C(N)O2 1864012845 KSVAOIDHKHPFAK-SANMLTNESA-N 540.620 4.315 10 10 KICE CCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1864016162 IRFLUNWTNDGPGT-NRFANRHFSA-N 502.958 4.435 10 10 KICE CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(C(=O)OC(C)C)cc1)=C(N)O2 1864021196 MUINJHUOOHPVMG-DEOSSOPVSA-N 548.640 4.089 10 10 KICE COC(=O)c1c(NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)sc(C)c1-c1ccc(Br)cc1 1866024771 ARJKUBGJCVXPLQ-UHFFFAOYSA-N 558.366 4.416 10 10 KICE CCCC[C@@H](NC(=O)c1cccc(N(CCC)CCC)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868604294 GGKLSPANGPYSHJ-AREMUKBSSA-N 509.695 4.354 10 10 KICE COc1ccc(N2CCN(C(=O)c3ccc4nc(SCc5nc(O)c6ccccc6n5)[nH]c4c3)CC2)cc1 1872825441 YFDWSARJNVJLOB-UHFFFAOYSA-N 526.622 4.475 10 10 KICE CCOC(=O)c1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCn3ccnc3)C2=O)cc1 1873165425 NVHDQLBKSDVJHD-UHFFFAOYSA-N 551.647 4.427 10 10 KICE CCN(CC)C(=O)COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)cc1OC 101743874 YWDNYBWWSKKLCI-DEDYPNTBSA-N 534.059 4.142 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)c3ccc4nc(-c5ccccc5)[nH]c4c3)CC2)cc1 1862090685 PJMJVNGVHWKOLE-MHZLTWQESA-N 509.610 4.192 10 10 KICE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCc1ccc3c(c1)OCO3)[C@@H]2c1ccc(O)c(O)c1 1864015481 AEPIZGQZXWPUEF-XMMPIXPASA-N 540.576 4.111 10 10 KICE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)NC2CC2)=C(N)O3)cc1 1864017535 OMEHCIXKDBZVQV-XMMPIXPASA-N 542.567 4.131 10 10 KICE CCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(F)cc1)=C(N)O2 1864019370 JPDQBTXYNLDHKR-DEOSSOPVSA-N 514.557 4.055 10 10 KICE COC(=O)c1ccc(COc2cn(CCC(C)C)c(CN3CCN(c4ccc(OC)cc4)CC3)cc2=O)o1 1870558780 LMBPBVIVEHWNGK-UHFFFAOYSA-N 523.630 4.184 10 10 KICE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1F 2296709486 ZUSODIYMQVIMBK-IBGZPJMESA-N 543.667 4.465 10 10 KICE Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(NCCCOC(C)C)nc12 2296731405 UZHJKCVABSWWEK-UHFFFAOYSA-N 552.678 4.360 10 10 KICE COc1ccc(N2C(=O)N=C(O)/C(=C/c3cc(C)n(-c4ccc(N5CCOCC5)cc4)c3C)C2=O)cc1 1173861 KLYTTZWDDHQWJC-UQQQWYQISA-N 500.555 4.446 10 10 KICE CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\N1CCN(/C=C2\C(=O)N(c3ccc(C)c(C)c3)N=C2C)CC1 101350649 BFMXPVYQWQYTDF-HJTNQMAYSA-N 510.642 4.451 10 10 KICE CC[C@H](C)c1ccccc1OCCOc1ccc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc1 205732512 XFYJHDQYOWKWID-RARAFIHZSA-N 526.640 4.279 10 10 KICE COc1ccc(-c2nn(C)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)NCCC2=CCCCC2)=C(N)O3)cc1 1864023338 YGMNWBPMUHOJAM-HSZRJFAPSA-N 516.598 4.208 10 10 KICE Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@@H](C)C1)=C(N)O2 1865028121 PWHXSPNRZXETSK-MZFXBISCSA-N 545.423 4.229 10 10 KICE CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C)C1)=C(N)O2 1865029073 FRXZRWBAYKQFJS-KOSHJBKYSA-N 502.615 4.498 10 10 KICE CC[C@](C)(NC(=O)CCS(=O)(=O)c1ccc(OC)c(Cl)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866806827 BUGSATVOLJBLKZ-LJAQVGFWSA-N 583.062 4.211 10 10 KICE CC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccc3c(c1)OCO3)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867447383 DLUFCBXUJAHTIM-KYJUHHDHSA-N 639.753 4.129 10 10 KICE Cc1cccc(N2C(=O)c3ccc(C(=O)NCC(=O)NC[C@@H](c4ccc(N(C)C)cc4)N4CCCCC4)cc3C2=O)c1C 1867581825 LPFPXJVBONVSBY-PMERELPUSA-N 581.717 4.243 10 10 KICE CC[C@H](NC(=O)c1ccccc1I)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867858866 XEWGYSPTFKAXDK-BJKOFHAPSA-N 562.496 4.209 10 10 KICE CCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCN3CCc4c(F)cccc4[C@@H]3C2)n1 1869228377 GAGZZHYXWWMZPD-MHZLTWQESA-N 516.665 4.323 10 10 KICE Cc1ccc(CNc2nc3c(C)cccn3c(=O)c2C=C2SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1 2296707774 INLOGMAYRDQIGH-IBGZPJMESA-N 506.653 4.304 10 10 KICE Cc1ccc(C(C)C)c(OCCOc2ccc(C=C3C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2)c1 2297345096 QHWLELMSWXCSKQ-UHFFFAOYSA-N 526.640 4.197 10 10 KICE CCc1nn2c(=O)cc(COc3ccc(C=C4C(=N)N5C(=NC4=O)SN=C5SC(C)C)cc3)nc2s1 2297350800 XHKQIOMWKBQZMP-UHFFFAOYSA-N 539.668 4.011 10 10 KICE O=C(O)CCCN1C(=O)C(=C2SC(=S)N(c3ccccc3)C2=O)c2cc(Br)ccc21 2297559593 RYLXGWSDHGJLOD-UHFFFAOYSA-N 503.399 4.437 10 10 KICE CCOc1cc(C=C2SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)ccc1O[C@H](C)C(=O)O 2314935182 NGZBBFXQZRWKTD-OAHLLOKOSA-N 517.625 4.398 10 10 KICE CCCCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CCCC)c2N2CCN(C)CC2)SC1=S 33812702 SCPZGLHJTBVDEF-XLNRJJMWSA-N 515.749 4.362 10 10 KICE CCc1sc(NC(=O)C(=O)NCc2ccncc2)c(C(=O)OC)c1-c1ccc(Br)cc1 1860763659 LPQCMYNWKMGZOL-UHFFFAOYSA-N 502.390 4.177 10 10 KICE COc1ccc(N2CCN(C(=O)CNC(=O)/C=C/c3ccc(OCc4ccccc4Cl)cc3)CC2)cc1 1862139082 DRSLZEVBHUYNEA-OVCLIPMQSA-N 520.029 4.406 10 10 KICE Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)NCc2cccnc2)[C@H]3c2ccc(O)c(O)c2)cc1 1864015860 XHBNJYFNMUGWNU-FQEVSTJZSA-N 537.498 4.017 10 10 KICE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NCc1ccccc1F)[C@H]2c1ccc(O)c(O)c1 1864016993 BTNFNUOPQWXHEM-QHCPKHFHSA-N 530.556 4.140 10 10 KICE CN(C)c1ccc([C@H](CNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)c2ccccc2F)N2CCCCC2)cc1 1867851049 MAHFGWTXWCYENK-WDYNHAJCSA-N 532.660 4.282 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3cc(-c4cccc(OC)c4)on3)c3ccccc3)CC2)cc1 1868964296 JBDCTXBPBFKILD-NDEPHWFRSA-N 526.593 4.179 10 10 KICE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4c(C)noc4C)cn3Cc3ccccc3)CC2)cc1 1870564624 XRIPKHHZVCDZKT-UHFFFAOYSA-N 514.626 4.411 10 10 KICE COc1ccc(N2CCN(c3nc(=NCc4ccc(Cl)cc4)[nH]c(=Nc4cccc(C)c4)[nH]3)CC2)cc1 1871653140 GOZFGLQODUSHFK-UHFFFAOYSA-N 516.049 4.368 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccncc3)C(=O)N(CCc3nc4ccccc4[nH]3)C2=O)cc1 1873164263 SWFPASDRZPKHGM-UHFFFAOYSA-N 516.605 4.478 10 10 KICE CC(=O)NCCN1C(=O)C(Nc2ccc(C(=O)OCC(C)C)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422485 ZSFFXPKIBYUNAP-UHFFFAOYSA-N 542.636 4.235 10 10 KICE CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OCc4ccc(C)cc4)c(Cl)c3)C(=N)N21 2297345531 FPNAFTIXQXZCIF-UHFFFAOYSA-N 503.005 4.239 10 10 KICE COc1ccc(N2CCN([C@@H](CNS(=O)(=O)c3ccc(OCC(C)C)cc3)c3ccco3)CC2)cc1 38619480 NMOMPDMPFXOQLF-SANMLTNESA-N 513.660 4.165 10 10 KICE COc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)c(C(=O)O)c4)o3)C(=O)NC2=S)c(OC)c1 59594477 UGWXSWAXASKZIB-MHWRWJLKSA-N 512.927 4.147 10 10 KICE CCN(CC)c1ccc(CN(C(=O)COC)C2CC2)c(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 96290295 WITRELCEXZADEU-UHFFFAOYSA-N 514.566 4.457 10 10 KICE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1C 102835742 PXOBGOCMECCKEY-BOURKTIISA-N 525.677 4.245 10 10 KICE Cc1cc(N2C(=O)NC(=O)/C(=C\c3c(C)nn(-c4ccc([N+](=O)[O-])cc4)c3C)C2=O)c(C)cc1Br 103811536 JKKMFMAHKRCJDI-YBFXNURJSA-N 538.358 4.443 10 10 KICE CCCn1c(N2CCN(CC)CC2)c(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c(C)c(C#N)c1=O 110524477 HAJCHZSREDTSHO-MOHJPFBDSA-N 535.739 4.024 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)C3CCN(Cc4ccc(C(C)(C)C)cc4)CC3)CC2)cc1 1861974932 GBRNTISKLMQAHO-HSZRJFAPSA-N 520.718 4.058 10 10 KICE CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](C)C1)=C(N)O2 1865030873 SZVXROFZZKVSOK-XDHUDOTRSA-N 520.605 4.387 10 10 KICE CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1sccc1C 1865333764 GUQCJPJRYBVPDR-JOCHJYFZSA-N 507.660 4.023 10 10 KICE CCc1nn(CC(C)C)c2c1[C@H](c1cccc(F)c1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865552219 AOELBLNVARSSPU-VWLOTQADSA-N 533.648 4.293 10 10 KICE CC(C)(C)OC(=O)N[C@H](CC(=O)OCc1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866007578 OGKXDJPAKGNNAN-HSZRJFAPSA-N 528.561 4.427 10 10 KICE CC[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867767107 DNSJDMOYZJLQCV-UPVQGACJSA-N 516.042 4.166 10 10 KICE CSCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867925023 LXYUICBJKKXMGM-KYJUHHDHSA-N 631.799 4.337 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3ccc(F)cc3)C(=O)N(CCCn3ccnc3)C2=O)cc1 1873162301 OWNUCEVYEPRRRM-UHFFFAOYSA-N 511.601 4.432 10 10 KICE Cc1ccc(CN2C(=O)C(NCc3ccc(S(N)(=O)=O)cc3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873164709 OINNEBHZCHBUOQ-UHFFFAOYSA-N 554.672 4.120 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc4c[nH]nc4c3)C(=O)N(CCCn3ccnc3)C2=O)cc1 1873424106 ZLAWUAFTEGOVJJ-UHFFFAOYSA-N 505.582 4.449 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(NC(=O)C(C)C)cc3)C(=O)N(CCN3CCOCC3)C2=O)cc1 1873426234 XOAQPSSQZULEBN-UHFFFAOYSA-N 555.679 4.213 10 10 KICE Cc1cccn2c(=O)c(C=C3SC(=S)N([C@H](C)c4ccccc4)C3=O)c(NCCCN3CCOCC3)nc12 2297312871 WHZQAKMTFFTIGQ-HXUWFJFHSA-N 549.722 4.100 10 10 KICE O=C1/C(=C\c2c(N3CCN(c4cccc(Cl)c4)CC3)nc3ccccn3c2=O)SC(=S)N1C[C@@H]1CCCO1 33355600 MCKVUEBFXRSXNV-OFXNXBLFSA-N 568.124 4.055 10 10 KICE COc1ccc(-c2cc(-c3ccccc3)nc(SCC(=O)Nc3c[n+](N4CCCCC4)no3)c2C#N)cc1 106048456 ZIWIEPGNFMRLOH-UHFFFAOYSA-O 527.630 4.424 10 10 KICE CCCCn1c(N2CCN(CC)CC2)c(/C=C2\SC(=S)N(Cc3ccc(OC)cc3)C2=O)c(C)c(C#N)c1=O 110528903 QZJBKPCNAPUBJD-UQQQWYQISA-N 565.765 4.380 10 10 KICE CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccs1)=C(N)O2 1864019467 ZMZDWDQPHYFXOK-QFIPXVFZSA-N 520.586 4.117 10 10 KICE CN(C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccn2)[C@@H]1c1ccc(O)c(O)c1)C1CCCCC1 1865034110 PISONOBGCTZAAQ-IBGZPJMESA-N 529.519 4.183 10 10 KICE O=C(Cc1ccc2c(c1)OCCO2)N[C@@H](Cc1ccc(F)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866606489 LSBVEWOGKAMCIN-SANMLTNESA-N 564.569 4.281 10 10 KICE CC(C)(NC(=O)c1nc(C(F)(F)F)n2ccccc12)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867288928 KJOBTPBQBWQEFO-UHFFFAOYSA-N 520.467 4.276 10 10 KICE CCOc1cc(C(=O)NCC(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc(OCC)c1OCC 1867389924 HSJYYGYCQHBGGS-RUZDIDTESA-N 540.705 4.022 10 10 KICE CSCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N([C@H](CC(C)C)C(=O)O)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867477109 LVBBXJTUPSTJFN-JBOQNHBVSA-N 665.857 4.043 10 10 KICE CC(=O)Oc1ccc(C[C@H](NC(=O)c2ccccc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867774519 LCUCAHZYFGRLPW-CONSDPRKSA-N 556.707 4.362 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)C[C@@H](c3ccc(F)cc3)c3cccc(F)c3)CC2)cc1 1868719465 QTUBTKDDRHNJKR-HRFSGMKKSA-N 507.581 4.349 10 10 KICE CC(C)(C)OC(=O)NCCC(CCNC(=O)OC(C)(C)C)NCc1cccc(Br)c1O 2025355290 RNXUBMBLOHRPFN-UHFFFAOYSA-N 502.450 4.443 10 10 KICE O=C(O)COc1c(Br)cc(C=C2SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)cc1Br 2293986951 FPSRRCSWPOEQNN-UHFFFAOYSA-N 639.322 4.060 10 10 KICE CCOc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)ccc1OCc1ccc(F)cc1 2297345717 VDOAOQMUWXGIJE-UHFFFAOYSA-N 530.603 4.203 10 10 KICE O=C1C(=Cc2ccccc2)SC(=S)N1CCC(=O)N(Cc1c(F)cccc1Cl)[C@H]1CCS(=O)(=O)C1 2314603332 JUZQFQKLCWPMOU-KRWDZBQOSA-N 553.102 4.286 10 10 KICE CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3cc(Cl)c(OCc4ccc(C)cc4)c(OC)c3)C(=O)N=C2S1 101398815 HYZQEDSFFDGWNT-UOSKESRZSA-N 533.031 4.247 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(C)C)c(Br)c3)c(=O)n2[C@H]1c1ccc(Br)cc1 252676474 XEKMBHXIVNOCHQ-QFIPXVFZSA-N 605.352 4.389 10 10 KICE Cc1ccc(CN2C(=O)/C(=C/c3c(N4C[C@H](C)O[C@@H](C)C4)nc4ccccn4c3=O)SC2=S)cc1 1772719134 DZEDVTMJPUKZAM-TVPJCHETSA-N 506.653 4.018 10 10 KICE CCC(CC)C(=O)NCc1ccc(S(=O)(=O)NC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 1858662806 DDONGGXKFRFEEW-UHFFFAOYSA-N 533.606 4.025 10 10 KICE CCc1sc(NC(=O)C(=O)NCCCCN2CCCC2)c(C(=O)OC)c1-c1ccc(Br)cc1 1860764005 VQPKKOWAVWNHLE-UHFFFAOYSA-N 536.492 4.457 10 10 KICE CCCc1ccc(OCC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1862208832 XSZKROKVIUKISN-LJAQVGFWSA-N 515.654 4.103 10 10 KICE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCC(C)C)=C(N)O2 1864019019 UIBKXEJVBJPPDU-QFIPXVFZSA-N 511.022 4.415 10 10 KICE CCCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC1)=C(N)O2 1865030628 NHIBRAUWMSZZPO-JOCHJYFZSA-N 509.006 4.266 10 10 KICE CCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCc3ccccc3C1)=C(N)O2 1865032771 KEIRDMPCEGPIMG-SANMLTNESA-N 538.604 4.134 10 10 KICE CC(C)C[C@H](C(=O)O)N1C(=O)c2ccc(C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O 1867470442 STUPHYJNUARYFL-GMTSZFNJSA-N 697.833 4.238 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3cc(-c4ccc(F)c(F)c4)[nH]n3)c3ccccc3)CC2)cc1 1868934094 AHFRGYDYMVBJSU-HHHXNRCGSA-N 531.563 4.183 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(OC(C)=O)cc3)NC(=O)CCCc3ccccc3C)CC2)cc1 1868952716 NLMCAEQCNZBOBM-HKBQPEDESA-N 557.691 4.328 10 10 KICE COc1ccc(N2CCN(C(=O)CNC(=O)C[C@@H](c3ccccc3)c3ccc(Br)cc3)CC2)cc1 1868964741 BLJSCEPQIKZZIW-SANMLTNESA-N 536.470 4.445 10 10 KICE CCCn1cc(OCC(=O)Nc2ccccc2CC)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870747344 VRYIHYLKBJGGRJ-UHFFFAOYSA-N 518.658 4.169 10 10 KICE CCCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cccc(C(F)(F)F)c2)[nH]1 1871500555 VTQGJPNOGLLFNK-UHFFFAOYSA-N 515.584 4.415 10 10 KICE CCOc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCN3CCOCC3)C2=O)cc1 1873425484 AVODKGXGZLZRSX-UHFFFAOYSA-N 528.653 4.407 10 10 KICE CCCCOCCCNc1ncnc2c1cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2CCC 1875204110 YXLVCNVPOHHZKN-UHFFFAOYSA-N 508.667 4.431 10 10 KICE CCCCN1CCc2cc(C=C3C(=O)NC(=O)N(c4ccc(I)cc4)C3=O)ccc21 2296937129 URMCCLQEOBOGHP-UHFFFAOYSA-N 515.351 4.120 10 10 KICE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1cccc(C(=O)O)c1 2313562498 UMKIPOITHJGOFJ-UHFFFAOYSA-N 506.898 4.292 10 10 KICE Cc1ccc(C=C2SC(=S)N(CC(=O)N(Cc3ccc([C@@H]4C[C@@H]4C)o3)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 2314829309 XKTYEIZRQAHNLO-FBBABVLZSA-N 544.720 4.129 10 10 KICE Cc1ccc(/C=C2\SC(=S)N(CCC(=O)N(Cc3sccc3C)[C@H]3CCS(=O)(=O)C3)C2=O)cc1 101266753 QLMKHXXSUHPECQ-KYYPIKSYSA-N 534.750 4.172 10 10 KICE O=S(=O)(c1ccc([C@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@H]23)cc1)N1CCOCC1 229747210 QMUANPPAJBPXTK-XQBPLPMBSA-N 522.408 4.139 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)CCc3ccc(C)c(C)c3)CC2)cc1 1861939953 DMMIPYAWLMSYGX-LJAQVGFWSA-N 515.654 4.027 10 10 KICE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCCc2c[nH]c4ccccc24)[C@@H]3c2ccc(O)c(O)c2)cc1 1864007482 NVFKDQLPHPSFMQ-HHHXNRCGSA-N 535.604 4.435 10 10 KICE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCc1ccccc1OC)[C@H]2c1ccc(O)c(O)c1 1864016387 NTXISJSBEWHQOF-QHCPKHFHSA-N 512.566 4.001 10 10 KICE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)NC2CC2)=C(N)O3)cc1 1864017843 WQJVOYOHAKRZQI-XMMPIXPASA-N 542.567 4.131 10 10 KICE CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCc3ccccc31)=C(N)O2 1865030277 HFZOSMSZHKJANY-VWLOTQADSA-N 523.593 4.305 10 10 KICE O=C(N[C@@H](Cc1ccc(F)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(C2CC2)[nH]n1 1867148680 GZCRHDARBOSHEJ-DEOSSOPVSA-N 522.536 4.181 10 10 KICE COc1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867319095 UACLJKUDFKXJPX-IHLOFXLRSA-N 528.697 4.446 10 10 KICE CC[C@@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867785385 QKRSGJOYPDKODY-NAKRPHOHSA-N 550.704 4.113 10 10 KICE Cc1cccc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867819698 CYFZSRKVYLWBJA-KYJUHHDHSA-N 528.697 4.451 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCN(c5ccccc5OC)CC4)nc(-c4cccnc4)n3)CC2)cc1 1868005008 ZTXCRMYHSOPZBV-UHFFFAOYSA-N 537.668 4.209 10 10 KICE COc1cc(C=C2SC(NC(C)=O)=NC2=O)cc(I)c1OCc1ccc(C)cc1 2294216515 SMZARLAZBDNILS-UHFFFAOYSA-N 522.364 4.294 10 10 KICE CN1C(=O)C(=C2SC(=S)N(CCCC[C@H](C(=O)O)N3C(=O)C(=C4C(=O)N(C)c5ccccc54)SC3=S)C2=O)c2ccccc21 2297450072 LEJRFCJLDRELSS-LJQANCHMSA-N 664.812 4.106 10 10 KICE CCCCn1c(N2CCN(c3ccccc3)CC2)c(/C=C2\SC(=S)N(CC)C2=O)c(C)c(C#N)c1=O 39990524 AUDWDRPWADZRAO-QJOMJCCJSA-N 521.712 4.376 10 10 KICE COc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)ccc3OS(=O)(=O)c3ccc(C)cc3)C2=O)cc1 100345010 XYUGDSODDSJOQQ-STZFKDTASA-N 571.405 4.200 10 10 KICE CCN(CC)c1ccc(CN(C[C@H]2CCCO2)C(=O)COC)c(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 103418308 AFSAZRFATBAYHI-JOCHJYFZSA-N 558.619 4.473 10 10 KICE O=C(O)CCCCCN1C(=O)/C(=C/c2c(N3CCN(c4ccccc4F)CC3)nc3ccccn3c2=O)SC1=S 109952944 SPFGRAJKFKURBQ-PYCFMQQDSA-N 581.695 4.006 10 10 KICE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccnc1)=C(N)O2 1864012650 FXQGPKQWNPATBT-DEOSSOPVSA-N 546.027 4.355 10 10 KICE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN(CC)CC)=C(N)O2 1864017532 OJGVAXWVQQBVKQ-HSZRJFAPSA-N 540.064 4.042 10 10 KICE CCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccs1)=C(N)O2 1864018520 MUNSZCYEDPEDCE-JOCHJYFZSA-N 520.586 4.117 10 10 KICE CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCc3ccccc3C1)=C(N)O2 1865033137 SPIWSWHESLKLFI-VWLOTQADSA-N 508.578 4.125 10 10 KICE COc1cccc(-c2nc(CC(=O)N[C@H](C)C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c(C)o2)c1 1866671555 MKJYPAPAYIZCOV-MRXNPFEDSA-N 523.545 4.120 10 10 KICE COc1ccc(F)cc1-c1cc(C(=O)NC(C)(C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)nn1C 1867103673 SXTJPRDZYFWMJL-UHFFFAOYSA-N 540.551 4.157 10 10 KICE CCCN(CCC(=O)OCC)c1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(-c2cccnc2)n1 1868000119 LCZYNJYSKSGNPO-UHFFFAOYSA-N 504.635 4.043 10 10 KICE CCCC[C@@H](NC(=O)c1c(C)cc(C)n(-c2ccccc2)c1=O)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869011460 URTWXDLGBFZYSS-HHHXNRCGSA-N 530.669 4.100 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCCCc3nc4ccccc4[nH]3)C(=O)N(CCc3cnc[nH]3)C2=O)cc1 1873168794 JTPSFQNCUVMRIZ-UHFFFAOYSA-N 533.636 4.239 10 10 KICE Cc1ccc(CN2C(=O)C(=Cc3c(NC[C@H]4CCCO4)nc4c(C)cccn4c3=O)SC2=S)cc1 2296709018 BLGZTWKUUDTCNE-LJQANCHMSA-N 506.653 4.304 10 10 KICE COc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc(C)c([N+](=O)[O-])c4)c3C)C(=O)NC2=S)c(OC)c1 2313543746 GFCUQIBBUVIDJM-UHFFFAOYSA-N 520.567 4.159 10 10 KICE CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1cccc(OC)c1OC 254615282 DZTKFDOBMYYHDD-NDEPHWFRSA-N 569.683 4.019 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccccc3OCc3ccc(C(=O)O)cc3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 1083914307 PABIFVJGDNCYIW-GDLZYMKVSA-N 597.693 4.142 10 10 KICE COc1ccc(N2CCCCC2)cc1C(=O)N1CCC2(CCCCNC(=O)c3ccccc3OC[C@H](C)NC2=O)CC1 1615076024 HTUVDDQXKMVCPT-DEOSSOPVSA-N 576.738 4.405 10 10 KICE CCc1sc(NC(=O)C(=O)N=c2cc[nH]c(C)c2)c(C(=O)OC)c1-c1ccc(Br)cc1 1860750337 RXGXNUSIDOTVKN-UHFFFAOYSA-N 502.390 4.229 10 10 KICE Cc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H]1CCCC[C@H]1C)=C(N)O2 1864011086 ZAJLEUYNGSJSNQ-VNOPPTIDSA-N 506.578 4.180 10 10 KICE CCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOc1ccccc1)=C(N)O2 1864019748 QAWMWQZIXSEVMU-DEOSSOPVSA-N 547.011 4.389 10 10 KICE CSc1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCN3CCOCC3)C2=O)c1 1873425651 JTSGQPWXJHPZAH-UHFFFAOYSA-N 516.667 4.340 10 10 KICE COc1ccc(C=C2C(=O)NC(=S)N(c3cccc(C)c3)C2=O)cc1COc1ccc(NC(C)=O)cc1 2296247628 PYLCZIIHPZAMJT-UHFFFAOYSA-N 515.591 4.372 10 10 KICE NC(=O)C1CCN(c2nc3ccccc3cc2C=C2SC(=S)N(CCc3ccccc3)C2=O)CC1 2314650698 WYXOIAWRUUAYRD-UHFFFAOYSA-N 502.665 4.380 10 10 KICE COc1ccc(CCN2C(=O)/C(=C\c3c(NC[C@H]4CCCO4)nc4c(C)cccn4c3=O)SC2=S)cc1OC 100885017 IHEONEFCUFKFHC-SYVPYPDPSA-N 566.705 4.055 10 10 KICE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3\SC(N4CCC(C(N)=O)CC4)=NC3=O)c2)C1 101014242 ZQUSOGAKBSXZNZ-BNHQOFJYSA-N 632.812 4.374 10 10 KICE CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(\C)NCCN1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 101451239 GHGSCWJQAYTCRD-HAVVHWLPSA-N 538.077 4.386 10 10 KICE CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(N(C)C)c(Br)c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 252669312 HCVARBMPIHITMG-MUUNZHRXSA-N 632.536 4.493 10 10 KICE Cc1ccc(C)c(CNC(=O)C2=C(N)Oc3c(c(C)nn3Cc3cccc(F)c3)[C@H]2c2ccc(O)c(O)c2)c1 1864011918 MVHIDBKEEYLKGM-AREMUKBSSA-N 528.584 4.418 10 10 KICE COc1ccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3Cc3ccccc3Cl)[C@H]2c2ccc(O)c(O)c2)cc1 1864012248 VOHYSJWRGKBBJX-RUZDIDTESA-N 547.011 4.324 10 10 KICE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCc1ccc(OC)cc1)[C@@H]2c1ccc(O)c(O)c1 1864016703 VSDMATRGRYLLHB-XMMPIXPASA-N 526.593 4.391 10 10 KICE CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)c1ccc(OC)cc1)=C(N)O2 1864017168 HDUWMFOFMPOHFE-CRICUBBOSA-N 526.593 4.427 10 10 KICE CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1C)=C(N)O2 1865029182 HUCPYYCGNJHBQD-MHECFPHRSA-N 502.615 4.391 10 10 KICE CCCc1nn(CC)c2c1[C@H](c1sccc1C)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865337643 QIDIGKXFJYETGM-QHCPKHFHSA-N 521.687 4.277 10 10 KICE CN(C)c1ccc([C@@H](CNC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)N2CCCCC2)cc1 1867828375 NPRNKJUOUZTCSF-URLMMPGGSA-N 588.665 4.254 10 10 KICE CC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867911925 YYUSZBTYJVPYAQ-BJKOFHAPSA-N 516.042 4.166 10 10 KICE COc1ccc(N2CCN(CCC(=O)c3ccc(OC(=O)Cc4ccccc4[N+](=O)[O-])cc3)CC2)cc1 1874738911 ITFDXWQOZMPAEH-UHFFFAOYSA-N 503.555 4.147 10 10 KICE CCN(CC)CCCNc1ncnc2c1cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2Cc1ccco1 1875234372 MLGSXTHZDQLHSU-UHFFFAOYSA-N 545.688 4.187 10 10 KICE COc1cc(C=C2C(=O)NN(c3ccccc3)C2=O)ccc1OCCOCCOc1ccc(C)c(C)c1 2293299447 JOLNVMLRWCYAJQ-UHFFFAOYSA-N 502.567 4.248 10 10 KICE COc1cc(C=C2SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 2296545479 UPLJYZMLRKLEOP-QGZVFWFLSA-N 500.554 4.203 10 10 KICE COc1cc(C=C2C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc(Cl)c1OC(=O)c1ccco1 2297469256 XLYOLJCUKFEVME-UHFFFAOYSA-N 507.915 4.223 10 10 KICE O=C1C(=Cc2ccc(Cl)cc2)SC(=S)N1CC(=O)N(Cc1ccc(N2CCCCC2)o1)[C@H]1CCS(=O)(=O)C1 2314828526 FTIYYWASXGTVAB-FQEVSTJZSA-N 594.180 4.340 10 10 KICE CCNC(=O)N1c2ccc(OCC)cc2C(=C2SC(C(=O)OC)=C(C(=O)OC)S2)C(=S)C1(C)C 33686785 FMZPVEPARPVWSM-UHFFFAOYSA-N 522.670 4.490 10 10 KICE NS(=O)(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C\c3cccc(OCc4ccccc4)c3)SC2=S)cc1 210700829 FAJRQKGMSLKPOV-XQNSMLJCSA-N 553.687 4.143 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(C)C)c(Br)c3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 252669400 HKIGSXFSNOQCQI-HSZRJFAPSA-N 635.378 4.398 10 10 KICE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C(=O)NC(C)C)[C@@H]3c2ccc(O)c(O)c2)cc1 1864014492 WFWIUOKZCOGKBZ-HSZRJFAPSA-N 512.566 4.178 10 10 KICE CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccccc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865022168 CIBLSXLHNMQYRG-HHHXNRCGSA-N 535.648 4.487 10 10 KICE CN(C)[C@H](C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1 1866698718 QQLWSYBTCDWOEW-PXJZQJOASA-N 531.612 4.431 10 10 KICE CCOC(=O)[C@@H]1CCCN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(-c3ccc(F)cc3)n2)C1 1867985958 KYZMXGAKHNWYRL-JOCHJYFZSA-N 519.621 4.397 10 10 KICE COc1ccc(N2CCN(Cc3cc(=O)c(OCC(=O)Nc4ccccc4C)cn3CC(C)C)CC2)cc1 1870708208 OEHPJTNOFSYQCC-UHFFFAOYSA-N 518.658 4.161 10 10 KICE C[C@H](NC(=O)COc1cn(CCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O)c1ccccc1 1870834874 TVLOWHHSJXDUEV-QFIPXVFZSA-N 512.610 4.453 10 10 KICE COc1ccc(N2CCN(S(=O)(=O)c3ccc(OCC(=O)Nc4cc(Cl)ccc4C)cc3)CC2)cc1 1872717255 IZURUXZNLHFXRC-UHFFFAOYSA-N 530.046 4.185 10 10 KICE Cc1cc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccc2c(c1)OCO2 2294235405 LIUBJPPODZHROU-UHFFFAOYSA-N 524.396 4.417 10 10 KICE Cc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc(N5CCOCC5)cc4)c3C)C(=O)NC2=S)cc1 2313624634 ZGZSRWBRUDNDCH-UHFFFAOYSA-N 500.624 4.070 10 10 KICE O=C1N=C(N2CCOCC2)SC1=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCCC2)c1 2314476749 UYPYXOQAODAWEJ-UHFFFAOYSA-N 577.732 4.407 10 10 KICE COc1ccc(N2CCN(c3cc(C)nc(SCc4cccc(C(=O)NC[C@@H]5CCCO5)c4)n3)CC2)cc1 36053866 HIUCUXIAVYHSAJ-SANMLTNESA-N 533.698 4.321 10 10 KICE CCn1c(NCc2ccc3c(c2)OCO3)c(/C=C2\SC(=S)N(CC(C)C)C2=O)c(C)c(C#N)c1=O 40066459 OYNGCMWXMZYHFX-NKVSQWTQSA-N 510.641 4.246 10 10 KICE CCOc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)ccc1OC(=O)c1ccccc1Cl 102464411 CJCZCQWCGFYVME-JRTRTLMXSA-N 561.041 4.358 10 10 KICE COc1c(I)cc(I)cc1/C=C1/C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O 103813867 GIHUSMXAXLXTEI-MLPAPPSSSA-N 608.557 4.224 10 10 KICE C[C@@H]1C[C@H]1c1ccc(CN(C(=O)CCN2C(=O)/C(=C\c3cccs3)SC2=S)[C@@H]2CCS(=O)(=O)C2)o1 1615296220 RQHFZRIZNZIEDL-XURJERFESA-N 550.749 4.272 10 10 KICE CCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccc(Br)cc2)[C@H]1c1ccc(O)c(O)c1 1864019989 SVXAJEFQRNZESY-HXUWFJFHSA-N 527.419 4.219 10 10 KICE O=C(Nc1ccc(I)cc1C(=O)O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O 1865877109 VNWMHSCKFFHVIW-UHFFFAOYSA-N 540.313 4.080 10 10 KICE CN(C)c1ccc([C@H](CNC(=O)C(C)(C)NC(=O)c2ccc3c(c2)C(=O)N(CCc2ccccc2)C3=O)N2CCCCC2)cc1 1867425746 UBEWYJMSBCRLPF-HKBQPEDESA-N 609.771 4.443 10 10 KICE COc1ccc(N2CCN(Cc3cc(=O)c(OCCCc4ccccc4)cn3CCCCCO)CC2)cc1 1870688603 FXJLIFYZBKRHIO-UHFFFAOYSA-N 519.686 4.353 10 10 KICE CC1CCN(C(=O)COc2cn(CCCO)c(CNc3ccc(Nc4ccccc4)cc3)cc2=O)CC1 1870928941 ANEBYHFEAFWZGM-UHFFFAOYSA-N 504.631 4.224 10 10 KICE CC1=C(C(=O)OCc2ccccc2)[C@H](c2cccs2)n2c(s/c(=C\c3ccc(N(C)C)cc3)c2=O)=N1 2533146 VRBCNUJAPLWPFZ-ZDQFFALBSA-N 515.660 4.106 10 10 KICE COc1cc(S(=O)(=O)Nc2ccccc2C)ccc1N/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O 101350246 DVENEPNQGVCFTA-XMHGGMMESA-N 540.985 4.037 10 10 KICE Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C2\SC(=S)N([C@H](CCC(=O)O)C(=O)O)C2=O)cc1 101965237 KVGUAZWICXAOKW-HPKGMJOESA-N 549.026 4.185 10 10 KICE CC(=O)N1N=C(c2ccc(I)o2)O[C@H]1/C(=C\c1ccc(N(C)C)cc1)NC(=O)c1ccccc1 105775111 VIJQSKYTMZHSNT-JLNBVAMESA-N 570.387 4.288 10 10 KICE COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OS(=O)(=O)c1ccc(F)cc1 207098008 LFYQQBYAOVHLAK-STZFKDTASA-N 544.607 4.148 10 10 KICE COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1cccc(C(=O)O)c1 1084201089 UMKIPOITHJGOFJ-NDENLUEZSA-N 506.898 4.292 10 10 KICE Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(F)cc1)=C(N)O2 1864008481 LBZSIHRYZFMQPH-XMMPIXPASA-N 534.975 4.438 10 10 KICE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4-c4ccccc4)[C@@H]3c3ccccc3)CC2)cc1 1865013613 ZTDYEKWIXBEYHG-MHZLTWQESA-N 521.621 4.233 10 10 KICE CC[C@@H](NC(=O)c1cccc(Br)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867411654 AZCHIEXFQSSQSJ-RPWUZVMVSA-N 515.496 4.367 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCC(n5cnnc5C)CC4)nc(-c4cccc(OC)c4)n3)CC2)cc1 1869319879 MTRFVDZYKORBFK-UHFFFAOYSA-N 540.672 4.229 10 10 KICE COc1ccc(N2CCN(c3nc(=NCCC(C)C)[nH]c(=Nc4cccc(C(F)(F)F)c4)[nH]3)CC2)cc1 1871499239 LRNXZOJVCGPJSI-UHFFFAOYSA-N 515.584 4.271 10 10 KICE CCOC(=O)Cc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCN(C)C)C2=O)cc1 1873421205 LTFWIAZYCUZMDF-UHFFFAOYSA-N 528.653 4.343 10 10 KICE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)NCc3ccccc3F)n4CC(C)C)CC2)cc1 1873579668 PRUGPEXOZMIOOX-UHFFFAOYSA-N 516.621 4.492 10 10 KICE O=C1/C(=C/c2ccc(I)o2)SC(=S)N1NC(=O)C12C[C@H]3C[C@@H](C1)C[C@@H](C2)C3 2059061568 AAIXOZPHFITWDN-VQRXIKPZSA-N 514.410 4.333 10 10 KICE Cc1cc(Oc2nc3c(C)cccn3c(=O)c2C=C2SC(=S)N(CCC(=O)O)C2=O)ccc1Cl 2314506452 DBABYQQVIDXTHN-UHFFFAOYSA-N 516.000 4.433 10 10 KICE Cc1cccn2c(=O)c(C=C3SC(=S)N(CC(=O)O)C3=O)c(Oc3ccc(Cl)cc3Cl)nc12 2314509895 ZLANGLIQUQLOFK-UHFFFAOYSA-N 522.391 4.388 10 10 KICE Cc1cc(Oc2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N(CC(=O)O)C2=O)ccc1Cl 39836019 XEZFYANYRIFIRQ-CXUHLZMHSA-N 501.973 4.043 10 10 KICE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@H]2c2ccc(N(C)C)cc2)cc1OCC 526314913 UBDGTFSTWLZKTJ-SANMLTNESA-N 537.638 4.255 10 10 KICE COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCCCc2ccccc2)[C@H]3c2ccc(O)c(O)c2)cc1 1864007259 IZQKLSDZMSINEW-SANMLTNESA-N 526.593 4.044 10 10 KICE Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCC1=CCCCC1)=C(N)O2 1864008296 HSBBASKYKBWJKU-RUZDIDTESA-N 500.599 4.352 10 10 KICE Cc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccco1)=C(N)O2 1864009456 HTBCXXXJWHBGJV-RUZDIDTESA-N 508.534 4.349 10 10 KICE CC(C)CNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)cc2)[C@@H]1c1ccc(O)c(O)c1 1864014939 GOXSEHBKTOHYCZ-SFHVURJKSA-N 536.938 4.482 10 10 KICE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCc1cccs1)[C@H]2c1ccc(O)c(O)c1 1864016670 VDQQYMNRAGGDEI-NRFANRHFSA-N 502.596 4.444 10 10 KICE CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccccc1)=C(N)O2 1864019413 YCLKWFBQRRHPAU-VWLOTQADSA-N 528.584 4.098 10 10 KICE NC1=C(C(=O)NCCC2=CCCCC2)[C@@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3ccccn3)c2O1 1864022948 SLBGFSMTMMKNLK-FQEVSTJZSA-N 541.530 4.399 10 10 KICE Cc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1CCO)=C(N)O2 1865028975 CMUBELYZJUMTPP-ZBLYBZFDSA-N 540.620 4.203 10 10 KICE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(N3CCCCC3)CC1)=C(N)O2 1865030042 AXNLQABLOKGFNT-RUZDIDTESA-N 537.705 4.074 10 10 KICE CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)C1CCCCC1)=C(N)O2 1865030507 LHPHGZCCNNYTRR-QHCPKHFHSA-N 503.603 4.117 10 10 KICE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4C)[C@@H]3c3ccc(C(C)(C)C)cc3)CC2)cc1 1865123719 FRRALBPLGGHWPL-VWLOTQADSA-N 515.658 4.078 10 10 KICE CN(C)c1ccc([C@H](CNC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)N2CCCCC2)cc1 1867795797 QHNFXNPXPHGBRF-IZEXYCQBSA-N 586.737 4.411 10 10 KICE CCC[C@H](NC(=O)Cc1nc(-c2ccc(C)cc2)oc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868639230 HNKIMPXFAQZOGP-VWLOTQADSA-N 504.631 4.143 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)CCc3nc(-c4ccc(F)cc4)cs3)C(C)C)CC2)cc1 1868911218 ANQKEWCLQRCWBX-MHZLTWQESA-N 524.662 4.380 10 10 KICE CS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OCc4ccc(Cl)cc4)c(Cl)c3)C(=N)N21 2297345444 XCPVYBLTWJJOAT-UHFFFAOYSA-N 509.396 4.194 10 10 KICE CCOc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)ccc1OCc1ccccc1 2297345681 RTARSMKHPGMMLX-UHFFFAOYSA-N 512.613 4.064 10 10 KICE CCCCC1=NN2C(=N)/C(=C\c3ccc(OCc4cc(=O)n5nc(CC)sc5n4)cc3)C(=O)N=C2S1 15961231 UTQGFLZBTSUNDQ-LECIVKJOSA-N 521.628 4.102 10 10 KICE Cc1c(N2C(=O)/C(=C/c3c(N4CCN(c5ccccc5F)CC4)nc4ccccn4c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C 150591089 PGCYOWYPCONDJN-QOMWVZHYSA-N 653.765 4.364 10 10 KICE COC(=O)c1c(NC(=O)C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)sc(C)c1-c1ccc(C)cc1 1860760927 IJSDEVMSOKWHGL-UHFFFAOYSA-N 515.632 4.273 10 10 KICE COc1ccc(-c2nn(C)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)NCc2ccccc2Cl)=C(N)O3)cc1 1864023092 UKBBFXFALDEYNL-JOCHJYFZSA-N 532.984 4.171 10 10 KICE C[C@H]1CCCCN1C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccn2)[C@@H]1c1ccc(O)c(O)c1 1865032203 XTBGIYOLQRIAFA-UUOWRZLLSA-N 523.593 4.441 10 10 KICE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCC1)=C(N)O2 1865032467 CTBCEDORQFNHOV-XMMPIXPASA-N 502.615 4.229 10 10 KICE CCC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(C)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867876819 HGOVAPMDJJERFY-AHWVRZQESA-N 509.651 4.211 10 10 KICE COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)n1 1869115783 BZQPXYDYGRAKHO-HFZDXXHNSA-N 521.637 4.106 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCN5CCc6c(Cl)cccc6[C@H]5C4)nc(C)n3)CC2)cc1 1869302860 WXMNPSOKPCTQMS-AREMUKBSSA-N 505.066 4.193 10 10 KICE COc1ccc(C2=NN(c3ccccc3)C(=O)C2=Cc2ccc(OCCN3CCOCC3)c(OC)c2)cc1 2332105132 AZUMVAJSZMBZKL-UHFFFAOYSA-N 513.594 4.249 10 10 KICE O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1-c1c([C@H]2Oc3cc(O)cc(O)c3C[C@H]2OC(=O)c2cc(O)c(O)c(O)c2)cc(O)c(O)c1O)c1cc(O)c(O)c(O)c1 169372863 YUULFXAQUWEYNP-GXAWFILRSA-N 914.734 4.447 10 10 KICE endogenous,in-man Cc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccccc1C(=O)O 1084064749 ZHGWFMQBMKFPFY-UNOMPAQXSA-N 508.328 4.221 10 10 KICE CCC(CC)C(=O)NCc1ccc(S(=O)(=O)NC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 1858662760 AKEQVGAJSUDUDO-UHFFFAOYSA-N 533.606 4.025 10 10 KICE CCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2c(F)cccc2Cl)[C@H]1c1ccc(O)c(O)c1 1864010067 ONJPSTFMCUWFCU-OAQYLSRUSA-N 500.958 4.054 10 10 KICE COCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@H]1c1ccc(O)c(O)c1 1864014586 YXPVZXZJUWFWKI-JOCHJYFZSA-N 532.984 4.061 10 10 KICE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)N[C@@H]1CCCC[C@H]1C)[C@@H]2c1ccc(O)c(O)c1 1864017314 JOOYAVBIVSYUPO-AYPBNUJASA-N 518.614 4.379 10 10 KICE CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(F)cc1)=C(N)O2 1864017503 NVWAXRBBKWSMRJ-XMMPIXPASA-N 514.557 4.039 10 10 KICE Cc1oc(-c2ccc(C(C)(C)C)cc2)nc1CC(=O)N[C@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866680212 KNPJRKVFTHEYNB-AREMUKBSSA-N 565.626 4.381 10 10 KICE CC(=O)Oc1cccc(C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867295520 WCDQHHLJCIIDJQ-JSOSNVBQSA-N 572.706 4.068 10 10 KICE CCN1C(=O)C(=Cc2cn(CC(=O)N3[C@@H](C)CCC[C@@H]3C)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 2297509069 RNAQMGLCSPQXPB-GOTSBHOMSA-N 590.746 4.359 10 10 KICE COc1cc(C=C2SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCC(=O)O 2297576849 JOQLTVVHUHKFOF-UHFFFAOYSA-N 525.358 4.235 10 10 KICE O=C(O)CC[C@@H](C(=O)O)N1C(=O)C(=Cc2cc(Cl)ccc2OCC(=O)Nc2ccc(F)cc2)SC1=S 2314842436 VNCBYGFHDXIXDM-INIZCTEOSA-N 552.989 4.016 10 10 KICE COc1ccc(N2N=C(c3ccccc3)C(=Cc3ccc(OCCN4CCOCC4)c(OC)c3)C2=O)cc1 2332105280 PIWUDQNHMYOLAC-UHFFFAOYSA-N 513.594 4.249 10 10 KICE COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(COc4ccccc4C)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 2764995 GHFXXMMRISHFJL-JLKMOJGBSA-N 583.710 4.370 10 10 KICE O=C(O)COc1c(Cl)cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc1Cl 101738114 SULOUBWFZVRCDS-LFYBBSHMSA-N 530.183 4.051 10 10 KICE CCn1c(N2CCC[C@@H](C)C2)c(/C=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c(C)c(C#N)c1=O 137694529 NKGNJWWDRIBBFZ-BEXDPUPVSA-N 588.759 4.488 10 10 KICE CN(Cc1ccccc1)C(=O)C[C@@H]1CCN2C[C@@H]1C=CCOc1ccc(N(C)CCc3ccccn3)cc1CNCC2=O 958317650 MBKNHUNOXYQMQU-VMPREFPWSA-N 581.761 4.312 10 10 KICE CCN(CC)C(=O)COc1ccc(-c2c(C)sc(NC(=O)C(=O)NCCc3ccc(F)cc3)c2C(=O)OC)cc1 1860764107 ZNUWLMBEPPSSBD-UHFFFAOYSA-N 569.655 4.194 10 10 KICE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NCCc1ccc(C)cc1)[C@@H]2c1ccc(O)c(O)c1 1864016956 AVFCOBHSXFJZGS-RUZDIDTESA-N 540.620 4.352 10 10 KICE COc1ccc(-c2nn(C)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)NC2CCCCCC2)=C(N)O3)cc1 1864023235 WGGUNRQSWKFUKY-QFIPXVFZSA-N 504.587 4.041 10 10 KICE COc1ccc(C(=O)N[C@H](Cc2ccc(OC(C)=O)cc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867311991 XGZHJULGOVJYFY-ZWXJPIIXSA-N 586.733 4.371 10 10 KICE CN(C)c1ccc([C@H](CNC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)N2CCCCC2)cc1 1867790422 WBBXIIBLCKSECJ-NDKRRWIDSA-N 628.774 4.182 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)CCCc3cccc(Cl)c3)CC2)cc1 1868953478 DICRFHOBASFGAS-DEOSSOPVSA-N 504.096 4.258 10 10 KICE CCOC(=O)c1ccc(CNC(=O)Cn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)cc1 1873975387 JLEKWJIWIHNUTN-UHFFFAOYSA-N 506.562 4.067 10 10 KICE CCCC[C@@H](CC)CN1C(=O)C(=Cc2c(N3CCC(C(N)=O)CC3)nc3ccc(C)cn3c2=O)SC1=S 2314399973 GINIOHXNSHPBSR-GOSISDBHSA-N 541.743 4.122 10 10 KICE Cc1ccc2nc(N3C[C@H](C)O[C@@H](C)C3)c(C=C3SC(=S)N(Cc4ccc(F)cc4)C3=O)c(=O)n2c1 2314401445 YRNUXXNOALCXOH-IRXDYDNUSA-N 524.643 4.157 10 10 KICE CCOc1cc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc(Cl)c1OCc1cccc(C)c1 101397539 DVRBWTPRUBBNBL-UOSKESRZSA-N 533.031 4.247 10 10 KICE COc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)cc(Br)c1OC(=O)c1cccs1 101935968 CHLXZUXMNQOVCH-QPEQYQDCSA-N 514.400 4.024 10 10 KICE CCN1C(=O)/C(=C\c2c(N3CCN(c4cccc(Cl)c4)CC3)nc3ccc(C)cn3c2=O)SC1=S 103649058 RSOHDMQGHFWAPX-XSFVSMFZSA-N 526.087 4.204 10 10 KICE O=S(=O)(O)c1ccc(/N=N\c2ccc(/N=N/c3c(O)c(S(=O)(=O)O)cc4cc(S(=O)(=O)O)ccc34)c(S(=O)(=O)O)c2)cc1 169289741 KMNTUASVUKNVJS-HXEHWPEMSA-N 672.653 4.363 10 10 KICE CC[C@](C)(NC(=O)c1ccc2nc(-c3ccccc3)[nH]c2c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862091744 BNZLBPVZGJCLQG-PMERELPUSA-N 511.626 4.486 10 10 KICE CCCCOCCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2CCC)[C@H]1c1ccc(O)c(O)c1 1864015674 CQSFOLPMIAYPQL-HSZRJFAPSA-N 520.630 4.389 10 10 KICE CCCc1nn(C)c2c1[C@@H](c1ccccc1Cl)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865160938 KJKMSAAHWZESAI-HSZRJFAPSA-N 522.049 4.078 10 10 KICE CCCc1nn(CC)c2c1[C@@H](c1ccc(C)cc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865186624 UOKKRROHYYMLRR-RUZDIDTESA-N 515.658 4.216 10 10 KICE CC(C)(C)C(=O)N1CCN(c2ccc(C(=O)NC(C)(C)C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cc2)CC1 1866901658 CVZVUKPKVSJAKP-UHFFFAOYSA-N 580.685 4.304 10 10 KICE COCCCN1[C@H](C)CN(c2cc(Nc3cccc4c3C(=O)c3ccccc3C4=O)nc(CCOC)n2)C[C@H]1C 1868254270 KCYLRPWAJVULSJ-NHCUHLMSSA-N 543.668 4.120 10 10 KICE COc1ccc(N2CCN(c3cc(N(CCN4CCN(C)CC4)c4ccccc4Cl)nc(C)n3)CC2)cc1 1869304199 PKADMWIXHBMFRM-UHFFFAOYSA-N 536.124 4.159 10 10 KICE O=C1[C@@H]2[C@@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc(Br)cc1 22825121 DSJBJCIWKMIGGD-PCCBWWKXSA-N 502.320 4.144 10 10 KICE biogenic Cc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(N(C)C)cc4)NN(C(=O)c4cccc(Br)c4)[C@H]3C2=O)cc1 103588309 YJWXLCQNNLSQFQ-TZRRMPRUSA-N 533.426 4.083 10 10 KICE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(OCc2ccc3c(c2)OCO3)c(I)c1 103849716 ZQHBZQNMSGBPIU-NVMNQCDNSA-N 586.313 4.404 10 10 KICE CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1OC 103859341 VWARRPUOWVACSD-ZSOIEALJSA-N 571.165 4.127 10 10 KICE O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCCC3)c2)SC(=S)N1[C@H]1CCS(=O)(=O)C1 150449541 XCLYGXWXSSCAQZ-XQGNUGGCSA-N 628.823 4.102 10 10 KICE CCCOc1cccc([C@@H]2C(C(=O)N3CCN(c4ccc(OC)cc4)CC3)=C(N)Oc3c2c(CC)nn3CC)c1 1865268177 QUWJGNUSVNSASA-SANMLTNESA-N 545.684 4.306 10 10 KICE COCCn1cc(OCC(=O)N2CCC(C)CC2)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870926558 LHEJYZCQCODYOI-UHFFFAOYSA-N 504.631 4.488 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3c[nH]c4ccccc34)C(=O)N(CCc3cnc[nH]3)C2=O)cc1 1873161985 AEKHGGRRUVINIA-UHFFFAOYSA-N 518.621 4.453 10 10 KICE COc1cc(C=C2C(=O)NC(=S)N(c3cccc(C)c3)C2=O)ccc1OCc1cccc(C(=O)O)c1 2313565161 WRTJULQQALNMHC-UHFFFAOYSA-N 502.548 4.112 10 10 KICE COc1cc(/C=C2/C(=N)N3C(SC)=NSC3=NC2=O)cc(Br)c1OC(=O)c1ccco1 33356121 PDYUYZCPFXLHBI-QNBSHATCSA-N 521.374 4.210 10 10 KICE CCN(CC)CCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1864007154 GXDSKYMJFAYYIN-JOCHJYFZSA-N 546.455 4.051 10 10 KICE Cc1cc(C)cc(OCCNC(=O)C2=C(N)Oc3c(c(C)nn3-c3ccccc3)[C@H]2c2ccc(O)c(O)c2)c1 1864007706 SJWUTCCQGCLWBL-AREMUKBSSA-N 526.593 4.099 10 10 KICE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)CCc3nc(-c4ccc(F)cc4)cs3)CC2)cc1 1868913683 OTFZFLOFEIIVQR-UHFFFAOYSA-N 510.635 4.134 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3sc(CNC(=O)OC(C)(C)C)nc3C)c3ccccc3)CC2)cc1 1868922105 ZKEXADNUSXWFAF-VWLOTQADSA-N 579.723 4.305 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCNC(=O)[C@H]4c4cn(C)c5ccccc45)nc(C(C)C)n3)CC2)cc1 1869104564 RNLQXPFNWNQTHX-GDLZYMKVSA-N 539.684 4.104 10 10 KICE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)N3CCC(C)CC3)n4Cc3ccco3)CC2)cc1 1873564048 ZUFMOIOUJWMQDW-UHFFFAOYSA-N 514.630 4.280 10 10 KICE CCC1=NN2C(=N)C(=Cc3ccc(OCCOc4ccc(NC(C)=O)cc4)c(OC)c3)C(=O)N=C2S1 2297347314 CYYBFRVLNWODRO-UHFFFAOYSA-N 507.572 4.141 10 10 KICE O=C(O)CCCCCN1C(=O)C(=Cc2c(Oc3ccc(F)cc3)nc3ccccn3c2=O)SC1=S 2314507341 JDKXXEXNVQNBCC-UHFFFAOYSA-N 513.572 4.472 10 10 KICE CCOCCCNc1nc2ccc(C)cn2c(=O)c1/C=C1/SC(=S)N(Cc2ccc(OC)cc2)C1=O 33751722 DODDZGFOQXDCJF-KGENOOAVSA-N 524.668 4.251 10 10 KICE CCCn1c(N2CCN(c3ccccc3)CC2)c(/C=C2\SC(=S)N(C(C)C)C2=O)c(C)c(C#N)c1=O 39990188 RGBNOATYSHJIPR-KQWNVCNZSA-N 521.712 4.375 10 10 KICE Cc1ccc(CN(C(=O)CCN2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)[C@@H]2CCS(=O)(=O)C2)o1 101267022 MUIAFDYKXFNACK-BDBXIWDTSA-N 539.100 4.049 10 10 KICE COc1ccc(N2CCN(c3cc(C(=O)O)c4cc(NS(=O)(=O)c5ccc(F)cc5)ccc4n3)CC2)cc1 102314051 AXTPCTUARDBXEG-UHFFFAOYSA-N 536.585 4.208 10 10 KICE CC(C)(C)C(=O)OC[C@@H]1O[C@H](N=[N+]=[N-])[C@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C 252587659 ZRIINKFKQWXADE-TXTZMMAHSA-N 541.642 4.485 10 10 KICE CCN(CC)c1ccc([C@@H]2C(c3cccc(OC)c3OC)=C(O)C(=O)N2c2ccc(S(N)(=O)=O)cc2)cc1 526315537 ZYHXXBYATTWOFA-RUZDIDTESA-N 537.638 4.255 10 10 KICE COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1cccc(C(=O)O)c1 1084080751 BLGPUSBKLKUTRK-XKZIYDEJSA-N 500.507 4.256 10 10 KICE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1)=C(N)O2 1864011660 JTARUDQNJKFGFC-DEOSSOPVSA-N 516.985 4.315 10 10 KICE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)NCCc2ccc(F)cc2)[C@@H]3c2ccc(O)c(O)c2)c1 1864012216 URRRQVQBHUIFSN-HHHXNRCGSA-N 542.611 4.460 10 10 KICE CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCN(Cc3ccccc3)CC1)=C(N)O2 1864014093 NFZZEQPTGYCDBT-SANMLTNESA-N 545.684 4.132 10 10 KICE CCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(Cc1ccccc1)C(C)C)=C(N)O2 1865034814 FJGQHMPZIFNZPX-RUZDIDTESA-N 525.609 4.373 10 10 KICE CCc1nn(CC)c2c1[C@H](c1cccc(Cl)c1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865097081 GGRPNYFATBYDEH-QHCPKHFHSA-N 522.049 4.171 10 10 KICE CCCOc1ccccc1[C@@H]1C(C(=O)N2CCN(c3ccc(OC)cc3)CC2)=C(N)Oc2c1c(CC)nn2CC 1865452037 KCZNFGSDVNUOHK-SANMLTNESA-N 545.684 4.306 10 10 KICE Cc1cccc(N2C(=O)c3ccc(C(=O)NCC(=O)NC[C@H](c4ccc(N(C)C)cc4)N4CCCCC4)cc3C2=O)c1C 1867581826 LPFPXJVBONVSBY-SSEXGKCCSA-N 581.717 4.243 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)Cc3nc(-c4ccccc4Cl)oc3C)CC2)cc1 1868646314 LPQFNFAYPJPDFY-XMMPIXPASA-N 557.116 4.441 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)CCCC(=O)c3ccc(Br)cc3)C(C)C)CC2)cc1 1868734764 KQJFWVITQHUUAC-SANMLTNESA-N 544.490 4.300 10 10 KICE CCN(CC)CCCCN=c1nc(Nc2ccc(C)cc2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871479358 QAYCTNFHSGDEEZ-UHFFFAOYSA-N 518.710 4.215 10 10 KICE COc1ccc(N2CCN(CCC(=O)c3cccc(NC(=O)c4cc(OC)cc(OC)c4)c3)CC2)cc1 1874721339 WSRKFOZNXBCOBF-UHFFFAOYSA-N 503.599 4.360 10 10 KICE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC(NCc2c(O)cccc2Br)C1 2250346003 CLFKMNCGFMADQE-UHFFFAOYSA-N 500.434 4.101 10 10 KICE CCCN1C(=O)C(=Cc2c(N3CCN(c4ccccc4F)CC3)nc3c(C)cccn3c2=O)SC1=S 2296215339 AMXVWRRHKIFQAC-UHFFFAOYSA-N 523.659 4.080 10 10 KICE CCOC(=O)N1CCN(C(=O)CCCCCN2C(=O)C(=CC=Cc3ccccc3)SC2=S)CC1 2297464335 DAKWPWKZMCNSOD-UHFFFAOYSA-N 501.674 4.305 10 10 KICE CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1 2313682281 ZDBUFKQSGZKKBY-UHFFFAOYSA-N 535.586 4.383 10 10 KICE Cc1ccc(C=C2SC(=S)N(CCCC(=O)N(Cc3ccc(C)o3)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 2314600065 AQBDBGYWGUMEFX-HXUWFJFHSA-N 532.709 4.094 10 10 KICE COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(COc4ccccc4C)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 2764993 GHFXXMMRISHFJL-UNDLXJOSSA-N 583.710 4.370 10 10 KICE O=C1/C(=C\c2c(N3CCSCC3)nc3ccccn3c2=O)SC(=S)N1CCCc1ccccc1 97447388 IKLRCBLVPLGASE-LVZFUZTISA-N 508.694 4.082 10 10 KICE CCN(CC)C(=O)COc1ccc(/C=C2/SC(=S)N([C@@H](C(=O)OC)c3ccccc3)C2=O)cc1OC 101737261 XYJMNFHGKTXELX-JDCXBEBJSA-N 528.652 4.058 10 10 KICE CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C(=O)OC)c4)c3C)c(=O)n2[C@@H]1c1cccs1 103698175 XJLZSRXNHSXGSF-LWUPDDLQSA-N 561.685 4.054 10 10 KICE COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)ccc1OCCO 1084405806 GFKBUYPFZUMXFK-CFRMEGHHSA-N 516.594 4.201 10 10 KICE CCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)c1ccccc1)=C(N)O2 1864019619 NJWXKFGAYCMEIX-IQGLISFBSA-N 510.594 4.477 10 10 KICE CCCC[C@@H](NC(=O)c1cc(OC)c(OC)c(OC)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867339643 NAYHNKWXRIQISE-CLJLJLNGSA-N 554.732 4.410 10 10 KICE C[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867618575 NHUIRVQKWZYFGW-DJUQAAIZSA-N 581.717 4.011 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCCCCN(C)C)C(=O)N(CCc3nc4ccccc4[nH]3)C2=O)cc1 1873167786 XKSGMZDJQMOHEO-UHFFFAOYSA-N 524.669 4.224 10 10 KICE COC(=O)C1CCC(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCCN(C)C)C2=O)CC1 1873170473 AYPDIXJVAMGOKG-UHFFFAOYSA-N 534.701 4.085 10 10 KICE CC(C)c1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(OCC(=O)O)c(Br)c3)C2=O)cc1 2297301489 AXLIMZMFWYFDGQ-UHFFFAOYSA-N 566.202 4.465 10 10 KICE CN(c1ccc2c(O)c(N=Nc3ccccc3S(=O)(=O)O)c(S(=O)(=O)O)cc2c1)c1nc(Cl)nc(=Nc2cccc(S(=O)(=O)O)c2)[nH]1 2333207369 RGVYJSPNCNNDFJ-UHFFFAOYSA-N 722.139 4.473 10 10 KICE Cc1c(NC(=O)[C@H](C(C)C)N2C(=O)/C(=C\c3ccccc3)SC2=S)c(=O)n(-c2ccccc2)n1C 13306734 BHTAZEAYOUZASM-QDUHJBTASA-N 506.653 4.349 10 10 KICE CCn1c(NCc2ccc(F)cc2)c(/C=C2\SC(=S)N(CCCOC)C2=O)c(C)c(C#N)c1=O 40066501 OLZZINHXOGPWQS-NDENLUEZSA-N 500.621 4.037 10 10 KICE C[C@@H]1CN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(CCCc3ccccc3)C2=O)C[C@@H](C)O1 229700668 BRZMSSACCZRKAM-IVRIGKSTSA-N 520.680 4.142 10 10 KICE COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1OCc1ccccc1 1084199436 GOPQIQGQLWVWBY-NVMNQCDNSA-N 551.349 4.432 10 10 KICE CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccc(C)o2)n2c(sc(=Cc3ccc(N(C)C)cc3)c2=O)=N1 1772722939 KZFVWBQIDIXPGN-SANMLTNESA-N 512.635 4.150 10 10 KICE COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCCC2=CCCCC2)[C@@H]3c2ccc(O)c(O)c2)cc1 1864007906 XLEMXHPSHYQRTP-RUZDIDTESA-N 516.598 4.302 10 10 KICE CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@@H](C)C1)=C(N)O2 1865034907 HOLSOGJRNOXQPX-SRGWNRLKSA-N 520.605 4.243 10 10 KICE CCc1nn(CC)c2c1[C@@H](c1ccccc1Cl)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865167008 HOTINEXNOZXONK-HSZRJFAPSA-N 522.049 4.171 10 10 KICE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4-c4ccc(Cl)cc4)[C@@H]3c3ccco3)CC2)cc1 1865303537 JNTYFBUXOSQAKW-VWLOTQADSA-N 546.027 4.479 10 10 KICE CCC[C@@H](NC(=O)c1cc(OC)cc(OC)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867391250 KVBXNJNSWIOGIY-KAYWLYCHSA-N 510.679 4.012 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)Cc3nc(-c4ccc(C(C)C)cc4)oc3C)CC2)cc1 1868995414 ZRELIXRIXSMFNA-FQEVSTJZSA-N 504.631 4.178 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCCCN3CCOCC3)C(=O)N(CCc3ccc(Cl)cc3)C2=O)cc1 1873169548 CQEWESKYSBTIQX-UHFFFAOYSA-N 547.099 4.382 10 10 KICE COc1ccc(N2CCN(C(=O)c3cc4c(NCc5ccccn5)ncnc4n3Cc3ccccc3)CC2)cc1 1875219106 OAEKXYLRJOPUGZ-UHFFFAOYSA-N 533.636 4.458 10 10 KICE COc1ccc(CN2C(=O)/C(=C/c3c(N4CCCC[C@@H]4C)nc4ccccn4c3=O)SC2=S)cc1 33804032 UPIHUKBLHCVQQQ-SZHLLGMXSA-N 506.653 4.483 10 10 KICE CCCCn1c(N2CCC(C)CC2)c(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)c(C)c(C#N)c1=O 39990398 SWYBVABOQKGPNX-ZHZULCJRSA-N 516.689 4.131 10 10 KICE CCCCN1C(=O)/C(=C\c2c(N3CCN(c4ccccc4F)CC3)nc3c(C)cccn3c2=O)SC1=S 100880622 BFVSNWUDAPAJBU-OQKWZONESA-N 537.686 4.470 10 10 KICE O=C1/C(=C\c2c(NCc3ccc4c(c3)OCO4)nc3ccccn3c2=O)SC(=S)N1Cc1ccco1 102852192 SYFJVUZMEAGZGG-RGVLZGJSSA-N 518.576 4.030 10 10 KICE CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OC)c(I)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 150597714 GUEIDDACJSQGPT-WVWKGNOCSA-N 729.378 4.082 10 10 KICE CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCc1ccc(C)cc1 1084492461 XDZXKBDJOZVDKY-MTJSOVHGSA-N 500.507 4.368 10 10 KICE Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1)=C(N)O2 1864008971 WBWQDUVOWSOSOY-QHCPKHFHSA-N 502.958 4.256 10 10 KICE CCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(F)cc1)=C(N)O2 1864018228 GEDHEBDMBYPUGM-RUZDIDTESA-N 546.574 4.237 10 10 KICE CCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cccs1)=C(N)O2 1864018765 CGCQFCRFSIBLND-XMMPIXPASA-N 530.650 4.328 10 10 KICE CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCC(Cc3ccccc3)CC1)[C@H]2c1ccc(O)c(O)c1 1865026969 UXSVPQITNFBJST-VWLOTQADSA-N 502.615 4.189 10 10 KICE COc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC(C)C)ccc1OCc1ccc(C)cc1 2297345690 SHWUMIJAHRRCJQ-UHFFFAOYSA-N 526.640 4.230 10 10 KICE COc1ccc(CN2C(=O)/C(=C\c3c(NCc4ccco4)nc4ccccn4c3=O)SC2=S)cc1 15227834 RALQVMBVBTYDIU-DEDYPNTBSA-N 504.593 4.310 10 10 KICE COc1ccc(NC(=O)CN2C(=O)/C(=C3/SC(=S)N(Cc4ccco4)C3=O)c3ccccc32)cc1 33333590 MAQATKBJPCBNMC-QURGRASLSA-N 505.577 4.045 10 10 KICE O=C(Nc1nc(-c2ccc3nc(O)oc3c2)cs1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1860744453 YDTBBDUOUNYZPW-UHFFFAOYSA-N 510.487 4.010 10 10 KICE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCc1ccc(C)cc1)[C@@H]2c1ccc(O)c(O)c1 1864021655 DZJPWJRQMMVHSF-LJQANCHMSA-N 516.520 4.085 10 10 KICE CCCc1nc(N2CCN(Cc3ccc(C)cc3)CC2)cc(N2CCN(c3ccc(OC)cc3)CC2)n1 1867976095 BTYWPBKOGARXIB-UHFFFAOYSA-N 500.691 4.395 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCN(c5nnc(-c6ccc(Cl)cc6)o5)CC4)nc(C)n3)CC2)cc1 1869294836 QAAQHELFQSGAPX-UHFFFAOYSA-N 547.063 4.150 10 10 KICE CC(=O)Nc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCc3cnc[nH]3)C2=O)cc1 1873425828 GVCPUWJABPXWSK-UHFFFAOYSA-N 508.582 4.210 10 10 KICE CNc1c(I)cc(C=C2C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc1I 2313561041 RAIXVMWYAZFEFK-UHFFFAOYSA-N 652.024 4.366 10 10 KICE Cc1ccc2c(c1)C(=C1SC(=S)N(NC(=O)COc3cc(Cl)c(Cl)cc3Cl)C1=O)C(=O)N2CC(=O)O 2314397426 MKZJOQNYRWGULC-UHFFFAOYSA-N 586.862 4.068 10 10 KICE COc1ccc(C=C2SC(=S)N(CCC(=O)N(Cc3ccc([C@@H]4C[C@H]4C)o3)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 2314828479 CEUSTVFLZUWVAX-SFGWALBWSA-N 574.746 4.219 10 10 KICE CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccccc3Br)C2=O)ccc1O[C@@H](C)C(=O)O 2314934633 JBNWQDPWDIEMJO-LBPRGKRZSA-N 551.440 4.246 10 10 KICE COc1cc(C=C2C(=O)N(Cc3ccc(F)cc3)N=C2c2ccccc2)ccc1OCCN1CCOCC1 2332105204 IEUAWCFYPNPOBA-UHFFFAOYSA-N 515.585 4.375 10 10 KICE COc1ccc(N2CCN(c3nc(SCc4cccc(C(=O)N5CCN(C(C)=O)CC5)c4)nc(C)c3C)CC2)cc1 98015314 VWDPOEQKNHWJTL-UHFFFAOYSA-N 574.751 4.025 10 10 KICE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(Cc4ccco4)C3=O)c(N3CCN(c4ccccc4F)CC3)nc12 100880668 VMJLATCVACYXNJ-XQNSMLJCSA-N 561.664 4.463 10 10 KICE COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1 101673799 SKZMPXVAWRRKRK-UCQKPKSFSA-N 542.997 4.297 10 10 KICE N=C1/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N=C2SC(CC(=O)N3CCCCC3)=NN12 102464318 XBILFSFXAJPDIR-RWYGKYMDSA-N 532.582 4.196 10 10 KICE CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OC 103859286 HGLDMULLJOKANC-ZSOIEALJSA-N 524.165 4.285 10 10 KICE Nn1c(SCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)nnc1-c1ccc2ccccc2c1 253566203 IQYJHVQLNBHMTC-UHFFFAOYSA-N 505.559 4.318 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OCC)c(Br)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 725385779 UTNOTNIQEYPYOG-DEOSSOPVSA-N 570.509 4.026 10 10 KICE CCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1864014831 DHUWQOMGZHTGGH-QGZVFWFLSA-N 522.911 4.236 10 10 KICE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)NC(C)C)=C(N)O3)cc1 1864017573 PDFZEIJFFSKARS-XMMPIXPASA-N 544.583 4.377 10 10 KICE CCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOc1ccccc1)=C(N)O2 1864019702 PIDQYNCXQZYJNK-DEOSSOPVSA-N 547.011 4.389 10 10 KICE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)N2CCCC[C@@H]2C)[C@H]3c2ccc(O)c(O)c2)c1 1865028347 SHNFGRGOOZOPBY-BVZFJXPGSA-N 502.615 4.363 10 10 KICE CCc1nn(C)c2c1[C@H](c1ccc(Cl)c(Cl)c1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865169897 FABSQRVMZRQFQA-QFIPXVFZSA-N 542.467 4.341 10 10 KICE CCCC[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866872244 XPPARCYCBBKWGA-UQBPGWFLSA-N 523.589 4.129 10 10 KICE CN(C)c1ccc([C@@H](CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccn2)C3=O)N2CCCCC2)cc1 1867467000 SXPDNLFZJXTTOF-OIDHKYIRSA-N 674.802 4.334 10 10 KICE CSCC[C@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867785545 VGJYHOOJJLIXGB-WNJJXGMVSA-N 596.798 4.456 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCN5CCc6c(F)cccc6[C@H]5C4)nc(-c4cccnc4)n3)CC2)cc1 1869375275 TUENQNYQEDTNBY-GDLZYMKVSA-N 551.670 4.432 10 10 KICE O=C(CN1C(=O)C(=C2SC(=S)N(C[C@H]3CCCO3)C2=O)c2ccccc21)Nc1cccc(Cl)c1 2296538215 GCFXKRLHSVEAIU-MRXNPFEDSA-N 514.028 4.076 10 10 KICE CN(c1ccccc1)c1nc(Cl)nc(=Nc2cc(S(=O)(=O)O)cc3cc(S(=O)(=O)O)c(N=Nc4ccccc4S(=O)(=O)O)c(O)c23)[nH]1 2296565802 RSCFBSYAPQOCQT-UHFFFAOYSA-N 722.139 4.473 10 10 KICE CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3cc(Br)c(OCC(=O)OC)c(I)c3)C2=O)c1 2313557274 YVAPPUAEESUHQU-UHFFFAOYSA-N 673.254 4.069 10 10 KICE CCOc1cc(/C=C2/C(=N)N3C(SC)=NSC3=NC2=O)ccc1OC(=O)c1ccc(OC)c(OC)c1 101348238 TYXFJKSKDFXENH-MZLPUNMDSA-N 526.596 4.261 10 10 KICE CC(C)(C)C(=O)OC[C@H](N=[N+]=[N-])[C@@H]1O[C@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C 503922967 JLKYKJIAGQRDOG-IECFSIQFSA-N 541.642 4.485 10 10 KICE COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)c(C)c3C)C2=O)cc(I)c1O 1084224114 DHGHADWSMBLJIZ-SDQBBNPISA-N 571.165 4.051 10 10 KICE O=C1c2ccccc2C(=O)c2c(NC(=O)C3CCN(C(=O)c4cc5ccccc5oc4=O)CC3)cccc21 1860597066 LVJVSGWGBPGUIJ-UHFFFAOYSA-N 506.514 4.059 10 10 KICE CCC[C@@H](NC(=O)c1ccc2nc(-c3ccccc3)[nH]c2c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862093425 SIFAIAUHPHOXMJ-AREMUKBSSA-N 511.626 4.486 10 10 KICE Cc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOc1ccccc1)=C(N)O2 1864012253 VVXYYDVKRNJXOU-VWLOTQADSA-N 547.011 4.194 10 10 KICE CCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cccs1)=C(N)O2 1864019038 USFVHQQBZALTEJ-HSZRJFAPSA-N 534.613 4.159 10 10 KICE Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCC1)=C(N)O2 1865026938 UCIZTQMBXNZBLQ-JOCHJYFZSA-N 512.969 4.151 10 10 KICE CC[C@](C)(NC(=O)c1ccc(F)c(F)c1F)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867814259 PURKOLUMZFEESB-AMGIVPHBSA-N 504.597 4.412 10 10 KICE COCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCC3)c2)SC1=S 2296846430 LQFARLBQLPRECK-UHFFFAOYSA-N 554.719 4.171 10 10 KICE COc1cc2c3c(c1)C(=C1SC(=S)NC1=O)C(=O)N3C(C)(C)C=C2CN1CCN(c2ccc(F)cc2)CC1 2297632325 AZFPNVKIUIJEMV-UHFFFAOYSA-N 550.681 4.038 10 10 KICE CCOC(=O)c1ccc(NC(=O)[C@H](C)N2C(=O)/C(=C/c3ccc(O)c(OCC)c3)SC2=S)cc1 15047072 HLVMDPRCFUFNQW-DABDWFRDSA-N 500.598 4.196 10 10 KICE COc1ccc(CN2C(=O)/C(=C/c3c(C)c(C#N)c(=O)n(C)c3N3CCN(c4ccccc4F)CC3)SC2=S)cc1 110520231 ARZHQOYJCXRYTO-QQXSKIMKSA-N 589.718 4.441 10 10 KICE CC(C)CNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2Cl)[C@@H]1c1ccc(O)c(O)c1 1864014999 HSRCOCDKCWANHZ-SFHVURJKSA-N 536.938 4.482 10 10 KICE CCOc1cc(N2CCOCC2)c(OCC)c2c(=O)cc(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)[nH]c12 1866529357 APRGMPRRORGHLG-MHZLTWQESA-N 591.753 4.185 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCN(c5ccccc5)CC4)nc(-c4cccnc4)n3)CC2)cc1 1868004272 RTAGQYIDTVGMTR-UHFFFAOYSA-N 507.642 4.200 10 10 KICE COc1ccc(OCCNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(Cc3cccnc3)C2=O)cc1 1873165158 GIFXQTMQNMIZMG-UHFFFAOYSA-N 522.605 4.446 10 10 KICE O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)[C@@H]1CCCN1S(=O)(=O)c1c(Cl)cccc1Cl 1892118783 UQPUNURQIIZTLY-JLMWRMLUSA-N 508.471 4.452 10 10 KICE COc1ccc(N2CCN(CCCNC(=O)c3ccc(/C=C4\Oc5ccccc5NC4=O)cc3)CC2)cc1 20730411 ALDVTNDKBFXSKD-HFTWOUSFSA-N 512.610 4.009 10 10 KICE O=C1/C(=C\c2c(N3CCN(c4ccccc4F)CC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccc2c(c1)OCO2 100860378 BOJOIFSWCFWJDR-PCLIKHOPSA-N 601.685 4.290 10 10 KICE O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C\c1ccccc1OS(=O)(=O)c1ccccc1 102596798 SLNJCVZISRMLCG-PLRJNAJWSA-N 519.648 4.242 10 10 KICE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3\SC(=S)N(CCS(=O)(=O)O)C3=O)c2)C1 150451522 GYMFOQBPSYYWEZ-CSGQPYJXSA-N 646.838 4.295 10 10 KICE CCN1CCCc2cc(CN3CCC4(CCCCc5ccccc5OCCNC(=O)[C@H](C)NC4=O)CC3)ccc21 643561184 ATBBDJFOTIRYCO-VWLOTQADSA-N 546.756 4.468 10 10 KICE CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H]1CCCC[C@H]1C)=C(N)O2 1864018220 GCQXBNFKBJJQAR-WONHAXNMSA-N 520.605 4.434 10 10 KICE CCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H]1CCCC[C@@H]1C)=C(N)O2 1864018867 SOUOUSXVVQSUNZ-SWDVRCMSSA-N 520.605 4.434 10 10 KICE CCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2F)[C@@H]1c1ccc(O)c(O)c1 1864023195 VJZYPASAGSZOTG-SFHVURJKSA-N 520.483 4.111 10 10 KICE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)N2CCC[C@H](C)C2)[C@@H]3c2ccc(O)c(O)c2)cc1 1865031193 BDDPSFPTRXUWCT-VBKZILBWSA-N 544.530 4.264 10 10 KICE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4CC(C)C)[C@@H]3c3c[nH]c4ccccc34)CC2)cc1 1865367646 SVKNZNOOBLZMTR-MHZLTWQESA-N 540.668 4.381 10 10 KICE O=C(O)[C@H](CO)N1C(=O)C(=Cc2cn(CCOc3ccc(Cl)cc3)c3ccccc23)SC1=S 2323832086 JDWCWICWVPZAHE-IBGZPJMESA-N 503.001 4.020 10 10 KICE CCN(CC)c1ccc(CN(C[C@H]2CCCO2)C(=O)Nc2ccccc2OC)c(OS(=O)(=O)CC)c1 36009038 HFYFTRKRKKODAF-JOCHJYFZSA-N 519.664 4.483 10 10 KICE CN(C)c1ccc([C@H]2CC(c3cccc(Br)c3)=NN2C2=NC(=O)[C@H](CC(=O)O)S2)cc1 72413086 SSEAUWSEFXBJNF-MOPGFXCFSA-N 501.406 4.139 10 10 KICE COc1ccc(N2CCN(C(=O)C3CCN(S(=O)(=O)c4c(C)noc4/C=C\c4ccccc4F)CC3)CC2)cc1 105784211 ADMDTGFCNHAVPL-GHXNOFRVSA-N 568.671 4.051 10 10 KICE Cc1c(/C=C2\SC(=S)N(Cc3ccc(F)cc3)C2=O)c(N2CCN(c3ccccc3)CC2)n(C)c(=O)c1C#N 110520156 GSPZIAYPUCQQLK-XYGWBWBKSA-N 559.692 4.433 10 10 KICE COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(I)c1OS(=O)(=O)c1ccc(C)cc1 150481403 KHCNHFXAZRQYHJ-NDENLUEZSA-N 632.432 4.351 10 10 KICE Cc1ccc(C)c(CNC(=O)C2=C(N)Oc3c(c(C)nn3Cc3ccccc3)[C@H]2c2ccc(O)c(O)c2)c1 1864008818 SPVVSOMDUGSSAI-AREMUKBSSA-N 510.594 4.279 10 10 KICE CCCCOCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2cccc(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1864009028 XVYWVIHRAKNDNK-HSZRJFAPSA-N 527.021 4.263 10 10 KICE COc1ccc(-c2nn(CC(C)C)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)NCc2ccccn2)=C(N)O3)cc1 1864017808 VTICMRGQRWHCPW-DEOSSOPVSA-N 541.608 4.032 10 10 KICE O=C(COc1cccc2c1C(=O)N(C1CCCCC1)C2=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1865838113 QXOOVVVHYUXLDA-UHFFFAOYSA-N 508.530 4.408 10 10 KICE CC[C@@H](NC(=O)c1cc(C)n(-c2ccccc2F)n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867172075 JUIJHQGIEVKCJB-OAQYLSRUSA-N 510.525 4.242 10 10 KICE COc1cc(OC)cc(C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867391553 QAOBIENYMYKCIH-FIRIVFDPSA-N 574.722 4.160 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCN(CCc5cccc(OC)c5)CC4)nc(C(C)C)n3)CC2)cc1 1869087929 FPNGOFFCKFCYRU-UHFFFAOYSA-N 530.717 4.309 10 10 KICE COc1ccc(N2CCN(c3nc(=NCC(C)C)nc(Nc4ccc(N5CCCC5)cc4)[nH]3)CC2)cc1 1871675538 MXKBNKLBMGXKJV-UHFFFAOYSA-N 502.667 4.040 10 10 KICE CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC)c(COc4ccc(NC(C)=O)cc4)c3)C2=O)cc1 2295872345 GEQIABABJRUIKF-UHFFFAOYSA-N 513.550 4.461 10 10 KICE CCOC(=O)CCCCCN1C(=O)C(=Cc2cc(Br)c(OCC(=O)N3CCOCC3)c(OC)c2)SC1=S 2314754891 GRGJOTYYYASNTI-UHFFFAOYSA-N 615.568 4.020 10 10 KICE COc1cc(C=C2SC(=S)N([C@H]3CC(=O)N(CCCCC(=O)O)C3=O)C2=O)ccc1OCc1ccc(C)cc1 2314834151 ZLNBQFJDSIINGH-FQEVSTJZSA-N 568.673 4.166 10 10 KICE CC[C@H](C)N1C(=O)/C(=C\c2c(NCc3ccc4c(c3)OCO4)nc3ccc(C)cn3c2=O)SC1=S 33744132 AVJZCIXKTBDMPG-VYXQJKENSA-N 508.625 4.343 10 10 KICE CC(C)OCCCNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(CCc2ccccc2)C1=O 33898506 LBIQKEZSYWRGBC-HEHNFIMWSA-N 508.669 4.365 10 10 KICE Cc1ccc2nc(N3CCN(Cc4ccccc4)CC3)c(/C=C3/SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(=O)n2c1 100884417 GZGSHUIYUZFXPN-JVWAILMASA-N 611.749 4.455 10 10 KICE N=C1/C(=C\c2ccc(SCc3ccc(Cl)cc3)o2)C(=O)N=C2SC(CC(=O)N3CCOCC3)=NN12 101488552 ICMIQLUEXCQESY-LECIVKJOSA-N 530.031 4.093 10 10 KICE CCOc1cc(C2=C(O)C(=O)N(c3ccc(CC(=O)OC)cc3)[C@H]2c2ccc(O)c(O)c2)ccc1OC 526622801 OSYHZOKQDDCZTK-SANMLTNESA-N 505.523 4.278 10 10 KICE CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(Cl)cc1)=C(N)O2 1864012526 CBMFJZAROVAWBQ-HSZRJFAPSA-N 532.000 4.295 10 10 KICE CCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1864016500 QPAZNYCQHOMRPW-JOCHJYFZSA-N 516.985 4.494 10 10 KICE CCc1nn(CC(C)C)c2c1[C@H](c1cc(C)ccc1O)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865204909 QAHLZPXEZMBHQD-SANMLTNESA-N 545.684 4.168 10 10 KICE COc1ccc(C=C2C(=O)NC(=O)N(CCc3ccc(F)cc3)C2=O)cc1COc1ccc(NC(C)=O)cc1 2296557869 QIXRLGZQLKNCBA-UHFFFAOYSA-N 531.540 4.076 10 10 KICE COC(=O)COc1c(Cl)cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1Br 2313559866 ZOCDRMKBHQWYPY-UHFFFAOYSA-N 572.593 4.083 10 10 KICE CCCC[C@H](CC)CN1C(=O)C(=Cc2c(N3CCN(C(=O)OCC)CC3)nc3ccccn3c2=O)SC1=S 2314399388 VWEQLHWJIPBVTF-IBGZPJMESA-N 557.742 4.391 10 10 KICE O=S(=O)(c1ccc([C@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@@H]32)cc1)N1CCOCC1 656565 QMUANPPAJBPXTK-CNNODRBYSA-N 522.408 4.139 10 10 KICE CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@@H]1c1cccc(OC)c1 1785864 GFESCZJKJDBUQQ-ZGOFBEGVSA-N 545.636 4.354 10 10 KICE Cc1c(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)c(NCc2ccccc2)n(C)c(=O)c1C#N 40066599 IXPUNEPZJMQYFK-MOSHPQCFSA-N 510.641 4.024 10 10 KICE Cc1ccc(C(C)C)c(OCCOc2ccc(/C=C3\C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2)c1 101397084 LJNZTDJXQKBAKF-RDJYZGLESA-N 526.640 4.197 10 10 KICE Cc1cc(Br)ccc1N1C(=O)/C(=C\c2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)C(=O)NC1=S 103871886 IIFAFOPHJXXPTF-JAIQZWGSSA-N 582.432 4.393 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@@H]1c1cc(OC)ccc1OC 252670957 MEURJESJDSNBBE-MUUNZHRXSA-N 575.662 4.362 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)c3cccc(Oc4ccccc4)c3)CC2)cc1 1862254131 NWMUXHXANOYTEB-SANMLTNESA-N 503.624 4.351 10 10 KICE Cc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C(=O)NC[C@H]2CCCO2)[C@H]3c2ccc(O)c(O)c2)cc1 1864014496 WGEPOBZOUILART-RDGATRHJSA-N 538.604 4.249 10 10 KICE CCN(CC)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2F)[C@@H]1c1ccc(O)c(O)c1 1865034527 YIDDGNCPHXNIKX-SFHVURJKSA-N 520.483 4.064 10 10 KICE O=C(N[C@@H](Cc1ccc(F)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc2oc(O)nc2c1 1867124938 YMZZKULQPPRCEH-DEOSSOPVSA-N 549.514 4.428 10 10 KICE CCn1c(N2C[C@H](C)O[C@H](C)C2)c(/C=C2/SC(=S)N(Cc3ccc(C)cc3)C2=O)c(C)c(C#N)c1=O 33475393 IHFSLIOVELZNCY-WZHVQJQASA-N 522.696 4.372 10 10 KICE Cc1cc(/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 59534762 BJZMLUCOINJZGQ-HMAPJEAMSA-N 517.542 4.248 10 10 KICE CCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2N2CCN(Cc3ccccc3)CC2)SC1=S 110521484 UNYQLJWSXCXKRA-ULJHMMPZSA-N 535.739 4.372 10 10 KICE [N-]=[N+]=NCCCCCCNC(=O)c1ccc(-c2c3ccc(=N)c(S(=O)(=O)O)c-3oc3c(S(=O)(=O)O)c(N)ccc23)c(C(=O)O)c1 201157543 PACHABYIXPOXOB-UHFFFAOYSA-N 658.671 4.058 10 10 KICE CCCOc1ccc(C2=C(O)C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@@H]2c2ccc(N(C)C)cc2)cc1OC 526312239 RGSSACKKPSADCE-AREMUKBSSA-N 537.638 4.255 10 10 KICE CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1I 1084184911 KJCQPVDFWFWNFM-ZROIWOOFSA-N 541.139 4.119 10 10 KICE Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccs1)=C(N)O2 1864008659 PDJXVBLARUTACI-OAQYLSRUSA-N 508.987 4.318 10 10 KICE CCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2Cc2cc(C)ccc2C)[C@H]1c1ccc(O)c(O)c1 1864017434 MIYGKLPCBBAABE-RUZDIDTESA-N 540.620 4.466 10 10 KICE COc1cc(C(=O)N[C@@H](Cc2ccc(OC(C)=O)cc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc(OC)c1OC 1867335883 FMFWLDRBBMPPMX-CONSDPRKSA-N 646.785 4.388 10 10 KICE CC(=O)CN1CCN(c2cc(Nc3cccc4c3C(=O)c3ccccc3C4=O)nc(-c3ccccc3)n2)CC1 1868363114 KBXWBAPPIHNIND-UHFFFAOYSA-N 517.589 4.374 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)Cc3nc(-c4ccc(C)cc4)oc3C)CC2)cc1 1868639652 RJASUUPEKFCCOE-SSEXGKCCSA-N 568.674 4.291 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)Cc3cc(-c4ccccc4)on3)c3ccccc3)CC2)cc1 1868808766 BGXMUEFPLBVVLG-GDLZYMKVSA-N 510.594 4.099 10 10 KICE COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)n1 1869115786 BZQPXYDYGRAKHO-RLWLMLJZSA-N 521.637 4.106 10 10 KICE COC(=O)c1ccccc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCOC(C)C)C1=O 1873420413 LRDVCYLHEGYXTG-UHFFFAOYSA-N 501.583 4.498 10 10 KICE CCOc1cc(C=C2SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)ccc1OC(=O)C=Cc1ccc(OC)cc1 2296538148 BSFNKMDLAOQRDI-IBGZPJMESA-N 559.687 4.101 10 10 KICE Cc1cc(N2C(=O)NC(=O)C(=Cc3cccc(I)c3)C2=O)ccc1Br 2313548032 JHPHVTBMFGCRQZ-UHFFFAOYSA-N 511.113 4.029 10 10 KICE Cc1ccc(C=C2SC(=S)N(CC(=O)N(Cc3ccc([C@@H]4C[C@H]4C)o3)[C@H]3CCS(=O)(=O)C3)C2=O)cc1 2314829311 XKTYEIZRQAHNLO-SLYNCCJLSA-N 544.720 4.129 10 10 KICE Cc1ccc(CN2C(=O)/C(=C3/SC(=S)N([C@@H]4CCS(=O)(=O)C4)C3=O)c3cc(Br)ccc32)cc1 1306166 IPJVNJFCVNMXDO-ZBBYCGENSA-N 563.520 4.063 10 10 KICE COc1ccc(N2CCN(C(=O)c3ccc4c(c3)NC(=O)[C@H](CSCc3ccccc3F)N4)CC2)cc1 9490392 OEMWDHBTWQKLAQ-SANMLTNESA-N 520.630 4.463 10 10 KICE COc1ccc(CCN2C(=O)/C(=C\c3c(NC[C@H]4CCCO4)nc4ccc(C)cn4c3=O)SC2=S)cc1OC 100885021 CXWHQVFSJQEULM-IXOWOOARSA-N 566.705 4.055 10 10 KICE CCc1cccc2c(/C=C3/C(=O)N(CC)c4ccc(S(=O)(=O)N5CCOCC5)cc43)cn(CC(=O)NC3CCCC3)c12 101377600 FUVAGQUINYWXLA-MTDXEUNCSA-N 590.746 4.191 10 10 KICE C[C@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3\SC(=S)N(CCS(=O)(=O)O)C3=O)c2)C1 150452125 CUEYZYDKVHIIID-UZXDDYOISA-N 632.811 4.049 10 10 KICE CCCN(CCC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CCS(=O)(=O)O)C2=O)c1 150657905 GNTYXZOGJDNNJU-HKOYGPOVSA-N 634.827 4.439 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc5c(c4)OCO5)c3C)c(=O)n2[C@@H]1c1ccc(OCC)cc1 252675394 TYUFXLVMJAVCKW-GDLZYMKVSA-N 585.682 4.333 10 10 KICE Cc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@@H](C)C1)=C(N)O2 1865029692 TVARQLFWERAMOS-FXFTYNISSA-N 526.593 4.076 10 10 KICE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C(F)(F)F)nn4C)[C@@H]3c3cccc(Cl)c3)CC2)cc1 1865097544 SYQOETWZHJZZTA-IBGZPJMESA-N 547.965 4.144 10 10 KICE COc1cccc(C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867385448 FCCAVVBDTXEPMP-LOYHVIPDSA-N 544.696 4.151 10 10 KICE CC(=O)Nc1cccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867638614 IUXRMJZLPQJFLL-IOWSJCHKSA-N 555.723 4.396 10 10 KICE COc1ccccc1CNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCn2ccnc2)C1=O 1873165422 NTSNAJUDCAQZPG-UHFFFAOYSA-N 509.610 4.259 10 10 KICE Cc1ccc(CN2C(=O)C(=C3SC(=S)N([C@@H]4CCS(=O)(=O)C4)C3=O)c3cc(Br)ccc32)cc1 2296545339 IPJVNJFCVNMXDO-MRXNPFEDSA-N 563.520 4.063 10 10 KICE O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)C1=CNc1ccc(Cl)c(CN2C(=O)c3ccccc3C2=O)c1 2297100835 VELYBJMVDULBAO-UHFFFAOYSA-N 535.343 4.368 10 10 KICE CCOc1ccc2[nH]c(=NC=C3C(=O)N(c4ccc(I)cc4)N=C3C)sc2c1 2297452759 IKEDDNMSUCHJNR-UHFFFAOYSA-N 504.353 4.440 10 10 KICE NC(=O)C1CCN(C2=NC(=O)C(=Cc3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N4CCCCCC4)c3)S2)CC1 2314476459 OYWKKSZHXFPPIS-UHFFFAOYSA-N 618.785 4.272 10 10 KICE Cc1ccsc1CN(C(=O)CCCN1C(=O)/C(=C/c2ccccc2)SC1=S)[C@H]1CCS(=O)(=O)C1 101266746 XCISGCMKYBOUCL-QIYXJHPLSA-N 534.750 4.254 10 10 KICE CCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)Cc1ccccc1)=C(N)O2 1865033095 RNNPQQGWHMNVGT-VWLOTQADSA-N 526.593 4.208 10 10 KICE C[C@H]1CCCN(C(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3Cc3ccccc3F)[C@H]2c2ccc(O)c(O)c2)C1 1865033525 BPTBGXVCHRTUTL-VBKZILBWSA-N 546.521 4.454 10 10 KICE CCCc1nn(CC)c2c1[C@H](c1cccc(F)c1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865547080 BHTYKSPTDNVFCO-DEOSSOPVSA-N 519.621 4.047 10 10 KICE C[C@H](NC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867527228 BGGXGUZYTVCXOK-PZGXJGMVSA-N 567.690 4.015 10 10 KICE CC[C@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867785384 QKRSGJOYPDKODY-LSYYVWMOSA-N 550.704 4.113 10 10 KICE CCC[C@H](NC(=O)[C@H](c1ccc(OC)c(OC)c1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868863717 MDAZGAIUQITLJP-IGKIAQTJSA-N 511.663 4.086 10 10 KICE CCCn1cc(OCC(=O)Nc2ccc(C)cc2C)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870333142 LAMNWTQITBJXCK-UHFFFAOYSA-N 518.658 4.223 10 10 KICE COc1ccc(N2CCN(c3nc(=NCc4ccccc4)[nH]c(=Nc4ccc(C)c(Cl)c4)[nH]3)CC2)cc1 1871488117 MVTQMGJFMIZWJE-UHFFFAOYSA-N 516.049 4.368 10 10 KICE COc1ccc(CCN2C(=O)C(NCCCCN(C)C)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1OC 1873167615 PPYFUFQEZTTXEO-UHFFFAOYSA-N 544.696 4.365 10 10 KICE Cc1ccc2nc(N3CCN(Cc4ccccc4)CC3)c(C=C3SC(=S)N(Cc4ccco4)C3=O)c(=O)n2c1 2296696705 RHRNUXXSWZTDIA-UHFFFAOYSA-N 557.701 4.320 10 10 KICE CCOc1cc(C=C2SC(=S)N([C@@H](C(=O)O)c3ccccc3)C2=O)ccc1OCC(=O)N(CC)CC 2314769660 TZCVXSRXEIIGTL-HSZRJFAPSA-N 528.652 4.360 10 10 KICE CCCCn1c(N2CCC[C@H](C)C2)c(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c(C)c(C#N)c1=O 39990431 HDZKRAVUYCZHOR-OSGBQDRZSA-N 514.717 4.445 10 10 KICE O=C(O)CCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCC3)c2)SC1=S 101013393 ZOEHPYJHMKEQAK-QJOMJCCJSA-N 582.729 4.390 10 10 KICE CCc1cc(C)cc(OCCOc2ccc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)CC)cc2)c1 104560469 TZCAGWPPMNHORT-FNKNWIJASA-N 526.640 4.027 10 10 KICE CC(C)(C)C(=O)OC[C@H](N=[N+]=[N-])[C@H]1O[C@@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C 200581433 JLKYKJIAGQRDOG-RZFLPCETSA-N 541.642 4.485 10 10 KICE in-vitro CCN(CC)CCOC(=O)c1ccc(NC(=O)CNCc2cc(Cl)cc(Br)c2O)cc1 1860721440 UMANRNFSRSNIDP-UHFFFAOYSA-N 512.832 4.035 10 10 KICE CCN(CC)C(=O)COc1ccc(-c2c(C)sc(NC(=O)C(=O)N[C@@H]3CCCC[C@H]3C)c2C(=O)OC)cc1 1860763702 NQVTYWDRRPYOPJ-DYESRHJHSA-N 543.686 4.391 10 10 KICE CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1F)=C(N)O2 1864017706 SERYFWJLPGCGGN-DEOSSOPVSA-N 514.557 4.304 10 10 KICE CC(C)CCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2F)[C@@H]1c1ccc(O)c(O)c1 1864023478 ZJSJRMAFLLAPKD-IBGZPJMESA-N 534.510 4.357 10 10 KICE CCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CCc1ccncc1)=C(N)O2 1865033429 ZJEAXEFZGOGFRP-SANMLTNESA-N 539.636 4.086 10 10 KICE NC1=C(C(=O)N2CCCCC2)[C@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(Cc3ccccc3)c2O1 1865033585 DANOGRUHBVXRRQ-LJQANCHMSA-N 514.504 4.069 10 10 KICE COc1cc(Cl)c(OC)c2c(=O)cc(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)[nH]c12 1866523440 YSBUINKFTDUREL-OAQYLSRUSA-N 513.038 4.222 10 10 KICE CCCC[C@H](NC(=O)c1cc(-c2ccncc2)[nH]n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867161382 UEYARHQFVCDMKR-QFIPXVFZSA-N 507.550 4.174 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)c4ccc([N+](=O)[O-])cc4Cl)n(C(C)(C)C)n3)CC2)cc1 1869969910 ABDDUQQCZJMMQH-UHFFFAOYSA-N 513.986 4.182 10 10 KICE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4cccc(C)c4)cn3CCc3cnc[nH]3)CC2)cc1 1870621071 PGFGJAIVRXRYGF-UHFFFAOYSA-N 513.642 4.032 10 10 KICE CCCCc1ccc(Nc2nc(=NCCCOC)nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]2)cc1 1871502450 NTGDAGAYLNZNJC-UHFFFAOYSA-N 505.667 4.163 10 10 KICE COc1ccc(N2CCN(c3nc(=NCc4ccncc4)nc(Nc4ccc(Cl)cc4C)[nH]3)CC2)cc1 1871567801 QJSUBZGFPHAWDG-UHFFFAOYSA-N 517.037 4.341 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3cn(C)c4ccccc34)C(=O)N(CCN(C)C)C2=O)cc1 1873162012 BPMZCDNXGOEYGV-UHFFFAOYSA-N 509.654 4.060 10 10 KICE COc1c(Br)cc(Br)cc1C=C1C(=O)NC(=O)N(Cc2ccc(F)cc2)C1=O 2296563826 ZUKJHVSEVLNOGG-UHFFFAOYSA-N 512.129 4.021 10 10 KICE CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OCCCOc4ccccc4)c(Cl)c3)C(=N)N21 2297345691 SIYMTHKQQQESDL-UHFFFAOYSA-N 533.031 4.199 10 10 KICE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 2313558086 SHRPECFECPINDC-UHFFFAOYSA-N 505.458 4.378 10 10 KICE CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccccc3Br)C2=O)ccc1OCCC(=O)O 2314934529 HZNGILZJWAUVBG-UHFFFAOYSA-N 551.440 4.248 10 10 KICE CCOC(=O)Cn1cc(C(=O)C(=O)N2CCN(c3ccc(OC)cc3)CC2)c2cc(NC(=O)c3ccc(OC)cc3)ccc21 103104852 IDIYTJFCYADOCC-UHFFFAOYSA-N 598.656 4.005 10 10 KICE O=C1[C@@H]2[C@H](c3ccccc3O)N[C@](Cc3c[nH]c4ccccc34)(C(=O)O)[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1 104879956 RQYJYGRJMHKROB-TVQWTUMOSA-N 549.505 4.409 10 10 KICE Cc1cc(C)nc(NS(=O)(=O)c2ccc(N=NN3CCN(N=Nc4ccc(S(=O)(=O)Nc5nc(C)cc(C)n5)cc4)CC3)cc2)n1 254395969 BVPRSGMWJMMMQM-UHFFFAOYSA-N 664.778 4.417 10 10 KICE O=C(O)CCN1C(=O)/C(=C2/C(=O)N(CCOc3cccc4ccccc34)c3ccccc32)SC1=S 1860826762 MAFHTXOANROORG-FCQUAONHSA-N 504.589 4.312 10 10 KICE CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(OC)cc1)=C(N)O2 1864012844 KSVAOIDHKHPFAK-AREMUKBSSA-N 540.620 4.315 10 10 KICE Cc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)Cc1ccccc1)=C(N)O2 1865025714 CFXMVDMAUYGVQJ-RUZDIDTESA-N 514.557 4.143 10 10 KICE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)N2CCC[C@@H](C)C2)[C@@H]3c2ccc(O)c(O)c2)cc1 1865031192 BDDPSFPTRXUWCT-JLTOFOAXSA-N 544.530 4.264 10 10 KICE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)N2CCCC[C@H]2C)[C@@H]3c2ccc(O)c(O)c2)cc1 1865031986 SNGVKONNKXYQQU-JLTOFOAXSA-N 544.530 4.407 10 10 KICE CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@H](C)C1)=C(N)O2 1865032457 CPGQKEGLQMFKIR-XFAGBWLFSA-N 502.615 4.353 10 10 KICE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N(C)C1CCCCC1)[C@@H]2c1ccc(O)c(O)c1 1865034358 URMVJLTYNZDWOX-GOSISDBHSA-N 508.541 4.455 10 10 KICE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccccc1O)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865528434 GQCBWVVYYDBTSD-AREMUKBSSA-N 545.684 4.249 10 10 KICE CCC[C@@H](NC(=O)c1cc(C)n(-c2ccccc2)n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866836728 BXVPXQPEYNHONJ-XMMPIXPASA-N 506.562 4.493 10 10 KICE CC[C@@H](C)NC(=O)COc1cn(CCc2cnc[nH]2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870966007 WOPVLNIJPZXYPJ-OAQYLSRUSA-N 514.630 4.463 10 10 KICE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCCOc1ccc([N+](=O)[O-])cc1 2293430066 GBWUASNCQXRMOT-UHFFFAOYSA-N 582.363 4.490 10 10 KICE CCN1CCN(c2nc3c(C)cccn3c(=O)c2C=C2SC(=S)N(Cc3ccccc3Cl)C2=O)CC1 2295987677 NWQKBUGNRYMRBA-UHFFFAOYSA-N 540.114 4.200 10 10 KICE CCOc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC)ccc1O[C@H](C)c1ccccc1 2297345447 XFFJJBCNRCARKV-OAHLLOKOSA-N 512.613 4.237 10 10 KICE COc1ccc(CCN2C(=O)C(=Cc3c(N4C[C@H](C)O[C@@H](C)C4)nc4c(C)cccn4c3=O)SC2=S)cc1OC 2314400189 KNBFAFNWTJWMIX-OALUTQOASA-N 580.732 4.078 10 10 KICE CN(C)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C2SC(N3CCCCC3)=NC2=O)c1 2314475960 GIDNXVBAFHWMCP-UHFFFAOYSA-N 521.668 4.246 10 10 KICE COc1cc(C=C2SC(=S)N(NC(=O)c3ccc(Cl)cc3Cl)C2=O)ccc1OCC(=O)O 2314933965 XKSSEFHJWVLJCL-UHFFFAOYSA-N 513.380 4.012 10 10 KICE COc1ccc([C@@H]2[C@@H](C(=O)N3CCN(c4ccc(OC)cc4)CC3)CC(=O)N2c2ccc(OC)cc2)cc1 4761088 PTGJENBUJKIRDF-LMSSTIIKSA-N 515.610 4.155 10 10 KICE CCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2NCCc2ccc(OC)c(OC)c2)SC1=S 40066417 OAKJYSKQLIJARI-HMAPJEAMSA-N 526.684 4.331 10 10 KICE Cc1c(N2C(=O)/C(=C\c3c(NCc4ccco4)nc4ccccn4c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C 100885813 COFGRSIFDJFQPK-RCCKNPSSSA-N 570.656 4.103 10 10 KICE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3cc(Cl)c(OCc4ccc(C)cc4)c(OC)c3)C(=N)N21 101395390 YIHVTPGBVVXQNQ-ONAIEWRJSA-N 533.031 4.247 10 10 KICE Cc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)C2=O)cc1 103910184 YOYKMQBOLMEHSU-XMHGGMMESA-N 544.705 4.482 10 10 KICE CCCn1c(N2CCN(c3ccccc3)CC2)c(/C=C2\SC(=S)N(CCCOCC)C2=O)c(C)c(C#N)c1=O 110526773 OWCLKYZLOVGVQN-PLRJNAJWSA-N 565.765 4.393 10 10 KICE CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)ccc1OCC(=O)N(CC)CC 206928169 QWFZTMNZNDBPFJ-JCMHNJIXSA-N 527.668 4.187 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)cc3)c(=O)n2[C@@H]1/C=C\c1ccccc1 254294278 MTMMWWZCWPGIKB-XADDGTIXSA-N 501.652 4.310 10 10 KICE NC1=C(C(=O)N2CCCC2)[C@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3ccccc3Cl)c2O1 1865031211 BQESPQOTDGLZTJ-QGZVFWFLSA-N 520.895 4.273 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)CCc3c[nH]c4ccccc34)CC2)cc1 1868582307 DVCIOITZOOVKHH-GDLZYMKVSA-N 528.628 4.325 10 10 KICE CCN(CC)CCCCNC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 1873910935 WNSHCUUWHPQWKJ-LJAQVGFWSA-N 501.675 4.417 10 10 KICE CCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NC[C@H](c3ccc(O)cc3)N(C)C)ncnc21 1875207447 XAZJUBJTLOYYJL-MUUNZHRXSA-N 557.699 4.233 10 10 KICE CCOc1cc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)cc(Br)c1O 2294963523 OHODYMVJRHINFL-UHFFFAOYSA-N 540.233 4.456 10 10 KICE COc1cc(C=C2C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)ccc1OCc1ccc(F)cc1 2296056490 WXVDOEVQDFENFC-UHFFFAOYSA-N 535.601 4.435 10 10 KICE COc1ccc(C2=NN(Cc3cccc(F)c3)C(=O)C2=Cc2ccc(OCCN3CCOCC3)c(OC)c2)cc1 2332106703 WSGRNDJWAZZBTR-UHFFFAOYSA-N 545.611 4.384 10 10 KICE COc1ccc([C@@H](C)NC(=O)C2=C(N)Oc3c(c(C)nn3Cc3ccc(F)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1 1864011953 NSXGDTAJYAHVQC-DXPJPUQTSA-N 544.583 4.371 10 10 KICE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC(C)C)=C(N)O2 1864012559 CYQYLEKIYDIXJJ-XMMPIXPASA-N 538.620 4.060 10 10 KICE NC1=C(C(=O)NCCCO)[C@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3cccc4ccccc34)c2O1 1864014798 CQPKOMQBCGACFL-AREMUKBSSA-N 548.599 4.297 10 10 KICE Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)NC2CCCC2)[C@H]3c2ccc(O)c(O)c2)cc1 1864015156 KJLKTCFQEFIZOC-FQEVSTJZSA-N 528.531 4.423 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCC(CN5CCOCC5)CC4)nc(-c4cccc(OC)c4)n3)CC2)cc1 1869304801 IGOQWLNYMPWOGF-UHFFFAOYSA-N 558.727 4.036 10 10 KICE CS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)C(=N)N21 2297345461 YHXQRCPDXXDIDY-UHFFFAOYSA-N 509.396 4.194 10 10 KICE O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)C1=Cc1cc(Br)c(O)c(I)c1 2313560951 NAGCDYBCZFUMGG-UHFFFAOYSA-N 608.049 4.353 10 10 KICE C[C@H]1C[C@@H](C)CN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)C1 110078157 FTMMPSOLINHEJK-WIZLDEDZSA-N 534.663 4.307 10 10 KICE Cc1c(/C=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c(NCc2ccccc2)n(C)c(=O)c1C#N 143274906 MYOLYOUQMMPDTF-IWIPYMOSSA-N 582.711 4.381 10 10 KICE O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@@]2(CCCCc3ccccc3OCCN(Cc3ccccc3)C2=O)C1 643555819 CXDYVCZBRXNZCA-UMSFTDKQSA-N 580.685 4.211 10 10 KICE Cc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 1084514071 OJCRULXTJJEUJV-JMIUGGIZSA-N 509.316 4.431 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)CCCOc3ccc(Cl)cc3)CC2)cc1 1862233095 JOIVPXITMYNKCB-DEOSSOPVSA-N 520.095 4.094 10 10 KICE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)NCCc2cccs2)[C@@H]3c2ccc(O)c(O)c2)cc1 1864011321 GOZAZDWKWWFPOW-XMMPIXPASA-N 516.623 4.074 10 10 KICE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)O[C@H](C)C1)=C(N)O2 1865029867 WXKOHNZASGFUMW-LNPFQXMTSA-N 539.032 4.220 10 10 KICE CCC[C@@H](NC(=O)CCC(=O)N1CCC[C@@H]1c1nc2ccccc2s1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868894227 KAICUHIZHWBWND-CLJLJLNGSA-N 577.751 4.382 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)c4ccc(F)c(F)c4)n(-c4ccc(OC)cc4)n3)CC2)cc1 1869970856 YEJLGGFKEZSSGN-UHFFFAOYSA-N 520.540 4.142 10 10 KICE COCCOC(=O)COc1cn(Cc2ccncc2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870905037 GXFOUDRTIUVPIX-UHFFFAOYSA-N 514.582 4.216 10 10 KICE COc1ccc(N2CCN(c3nc(=NCCc4ccc(C)cc4)nc(Nc4ccc(O)cc4)[nH]3)CC2)cc1 1871717349 CXHPNDBAKLTLNH-UHFFFAOYSA-N 511.630 4.041 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NC[C@@H]3CCCO3)C(=O)N(CCc3nc4ccccc4[nH]3)C2=O)cc1 1873166175 FNHHMEGLVQSGFD-QHCPKHFHSA-N 509.610 4.062 10 10 KICE COc1ccc(N2CCN(CCC(=O)c3cccc(OC(=O)Cc4cc(OC)ccc4OC)c3)CC2)cc1 1874729886 HGEIUFWLANNTOR-UHFFFAOYSA-N 518.610 4.256 10 10 KICE Cc1ccccc1OCCCn1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)c2ccccc21 2297345311 LJTQWNHNGNOGQO-UHFFFAOYSA-N 521.624 4.040 10 10 KICE COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)C1=Cc1ccc(CNC(=O)C(=O)Nc2ccccc2)o1 2297454062 DSOHZJKIKXPBKY-UHFFFAOYSA-N 553.493 4.431 10 10 KICE COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 2313682672 IHVUMDPSJSZPAG-UHFFFAOYSA-N 562.633 4.144 10 10 KICE C[C@@H](c1ccccc1)N1C(=O)C(=Cc2c(N3CCC4(CC3)OCCO4)nc3ccccn3c2=O)SC1=S 2314433840 VDIMNIHUYUDAQH-SFHVURJKSA-N 534.663 4.000 10 10 KICE Cc1c(/C=C2/SC(=S)N(CCC(C)C)C2=O)c(N2CCN(c3ccccc3)CC2)n(C)c(=O)c1C#N 33451474 GXJJXPWRPVQPIL-XQNSMLJCSA-N 521.712 4.139 10 10 KICE O=C(COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=S)N(Cc2ccco2)C1=O)Nc1nccs1 33570387 WNNVDGWAQHXQTB-CXUHLZMHSA-N 502.555 4.063 10 10 KICE Cc1ccc([C@@H]2CC(c3cccn3C)=NN2C(=O)CN(CCN2CCOCC2)C(=O)c2ccccc2Cl)cc1 101024732 SRKVAUXSNZHOCO-NDEPHWFRSA-N 548.087 4.139 10 10 KICE CCCn1c(N2CCC(C(=O)OCC)CC2)c(/C=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c(C)c(C#N)c1=O 150651632 IGMUDSDVFTYBPY-ITYLOYPMSA-N 660.822 4.422 10 10 KICE Cc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)c(C)n1-c1ccccc1C(=O)O 1084168328 GRZPKXKOQVWRAE-ODLFYWEKSA-N 508.328 4.221 10 10 KICE CCOc1ccc(/C=C/C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1862159029 RMSWOKYOGHHEBY-VKUFTZFMSA-N 513.638 4.183 10 10 KICE Cc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCC1)=C(N)O2 1864008382 JGNCXSJARNGGOF-JOCHJYFZSA-N 539.430 4.498 10 10 KICE Cc1ccc(CCNC(=O)C2=C(N)Oc3c(c(C)nn3Cc3ccccc3F)[C@@H]2c2ccc(O)c(O)c2)cc1 1864010231 PVXYXYGVLCWLMS-SANMLTNESA-N 528.584 4.152 10 10 KICE CCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1ccc(C(F)(F)F)cc1 1865554156 GWEQQJMHMPQXAQ-HSZRJFAPSA-N 541.574 4.282 10 10 KICE CSCC[C@H](NC(=O)c1ccc(N(C)C)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867889045 NRGOEHLRYVCQLM-SVBPBHIXSA-N 525.763 4.014 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)Cc3nc(-c4cccc(Cl)c4)oc3C)C(C)C)CC2)cc1 1868650069 IJPLSTLCFHCHMB-SANMLTNESA-N 525.049 4.344 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)[C@H](Cc3ccccn3)c3ccccc3)CC2)cc1 1868666018 ZZXDUSKAYGNAOS-IZLXSDGUSA-N 532.710 4.003 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)CCC(=O)c3ccc(C)cc3C)CC2)cc1 1868931031 LOZRMKCHFXNYNK-LJAQVGFWSA-N 545.655 4.490 10 10 KICE CCC[C@H](NC(=O)c1cc(C2CC2)n2nc(C(C)(C)C)cc2n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869000771 ZTCKAALACHIALE-QHCPKHFHSA-N 532.689 4.160 10 10 KICE COCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCc3ccccc3Cl)ncnc21 1875224595 ZVSHVDDTWVVLCO-UHFFFAOYSA-N 535.048 4.314 10 10 KICE O=C1/C(=C\c2c(N3CCc4ccccc4C3)nc3ccccn3c2=O)SC(=S)N1Cc1ccco1 2410604 CYTYNZGVOMZLFZ-KGENOOAVSA-N 500.605 4.252 10 10 KICE CC1CCN(C2=NC(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N4CCOCC4)c3)S2)CC1 101013214 KIXXBGJNMRDCBH-XHPQRKPJSA-N 577.732 4.262 10 10 KICE Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](c2ccc(N(C)C)cc2)NN3C(=O)c2cccc(Br)c2)cc1 101098778 YJWXLCQNNLSQFQ-SGNDLWITSA-N 533.426 4.083 10 10 KICE CCCCCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2-c2ccccn2)[C@@H]1c1ccc(O)c(O)c1 1864017152 HADCBODOAGBUGZ-DEOSSOPVSA-N 541.608 4.355 10 10 KICE NC1=C(C(=O)N2CCOCC2)[C@@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3ccccc3Cl)c2O1 1865031805 OIALRXZTTAUHKW-QHCPKHFHSA-N 544.995 4.157 10 10 KICE NC1=C(C(=O)N2CCOCC2)[C@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3cccc(Cl)c3)c2O1 1865032024 UAXDZXAOEOVSKR-HSZRJFAPSA-N 544.995 4.157 10 10 KICE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)N1CCCC[C@H]1C)[C@@H]2c1ccc(O)c(O)c1 1865034373 VDYJKBBXJJOBFX-UZUQRXQVSA-N 518.614 4.476 10 10 KICE CCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1C)=C(N)O2 1865035014 JFUXUYRESZMPKV-QMHKHESXSA-N 506.578 4.140 10 10 KICE CCOC(=O)c1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCN(CC)CC)C2=O)cc1 1873165034 DZLXEFNKKBGABJ-UHFFFAOYSA-N 542.680 4.482 10 10 KICE CCN1C(=O)C(=Cc2c(N3CCN(c4cccc(Cl)c4)CC3)nc3c(C)cccn3c2=O)SC1=S 2296705052 JJZIOIMIAZADIH-UHFFFAOYSA-N 526.087 4.204 10 10 KICE CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3cc(OC)c(OCC)cc3Br)C2=O)c1 2313556220 RKTNQAGRNLPPDC-UHFFFAOYSA-N 533.375 4.320 10 10 KICE Cc1c(N2C(=O)/C(=C\c3c(N4CCC[C@H](C)C4)nc4ccccn4c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C 100885908 APEBNJSBXNOSAA-RMDTYCCRSA-N 572.716 4.134 10 10 KICE CCCCN1C(=O)/C(=C\c2c(N3CCN(c4ccccc4)CC3)nc3ccccn3c2=O)SC1=S 102593861 MLXOBCQRXFBSGB-DYTRJAOYSA-N 505.669 4.022 10 10 KICE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCCCOc4cc(C)ccc4C)cc3)C(=N)N21 104561188 DALNSCFRYCQWBJ-UQIALHJZSA-N 526.640 4.163 10 10 KICE CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C/c3cc(Cl)c(OCC(=O)O)c(Br)c3)C2=O)c1 1084115173 DABHVRXIKOQIOG-AUWJEWJLSA-N 567.776 4.030 10 10 KICE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCCCc2ccccc2)[C@@H]3c2ccc(O)c(O)c2)cc1 1864009100 ZGHQXGHBMNHQKY-AREMUKBSSA-N 510.594 4.344 10 10 KICE CCc1ccc([C@@H](C)NC(=O)C2=C(N)Oc3c(c(C)nn3-c3ccccn3)[C@H]2c2ccc(O)c(O)c2)cc1 1864009909 NBRKNKJIHBAATK-PUAOIOHZSA-N 511.582 4.121 10 10 KICE Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C)C1)=C(N)O2 1865027465 YOHTYXVTWMRRRC-QKFKETGDSA-N 526.996 4.397 10 10 KICE CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCCC1)=C(N)O2 1865034939 HYFUFRIYWJPSJJ-QHCPKHFHSA-N 506.578 4.141 10 10 KICE CCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N([C@H](CC(C)C)C(=O)O)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867471296 DXCDYFBYUCHLLD-JBOQNHBVSA-N 633.790 4.090 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)CCc4cccc(OC)c4)n(-c4ccc(C)cc4)n3)CC2)cc1 1869970409 QQAYQOBXLPMDOI-UHFFFAOYSA-N 526.641 4.491 10 10 KICE COCCn1cc(OCc2c(F)cccc2Cl)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870637085 ROMUNAOHXBMISS-UHFFFAOYSA-N 516.013 4.197 10 10 KICE CCOC(=O)Cc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCc3cnc[nH]3)C2=O)cc1 1873426265 RZXUGCSUCFJXSC-UHFFFAOYSA-N 537.620 4.358 10 10 KICE CCSC1=NSC2=NC(=O)C(=Cc3cc(OC)c(OCCOc4ccccc4OC)c(OC)c3)C(=N)N12 2297341036 IGRASEVBUKZSSM-UHFFFAOYSA-N 542.639 4.500 10 10 KICE O=C(O)CC[C@@H](C(=O)O)N1C(=O)C(=Cc2cc(Br)ccc2OCC(=O)Nc2ccc(F)cc2)SC1=S 2314842385 SZZFSDMXIRMSKX-INIZCTEOSA-N 597.440 4.125 10 10 KICE COCCN1C(=O)c2ccccc2[C@H](C(=O)N2CCN(c3ccc(OC)cc3)CC2)[C@H]1c1ccc(F)cc1 9780712 GVPFBQJSHGEAEX-WUFINQPMSA-N 517.601 4.110 10 10 KICE CCCn1c(N2CCC(C)CC2)c(/C=C2\SC(=S)N(CCCOCC)C2=O)c(C)c(C#N)c1=O 39990041 TXWOBKHJGRSNGX-QNGOZBTKSA-N 502.706 4.303 10 10 KICE COC(=O)c1c(NC(=O)C(=O)NC[C@@H](c2ccc(OC)cc2)N(C)C)sc(C)c1-c1ccc(C)cc1 1860761607 ZYZYMUQKWGRKJK-NRFANRHFSA-N 509.628 4.185 10 10 KICE Cc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cccs1)=C(N)O2 1864011914 MUTHPOUHDHQKTG-HSZRJFAPSA-N 537.041 4.419 10 10 KICE CCCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1)=C(N)O2 1864013744 ZQABXJDCOKULIM-RUZDIDTESA-N 528.584 4.445 10 10 KICE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCc1ccc(OC)cc1)[C@@H]2c1ccc(O)c(O)c1 1864015478 AEDTZIXCQSUMJY-RUZDIDTESA-N 540.620 4.433 10 10 KICE CCN(CC)C(=O)C1=C(N)Oc2c(c(C)nn2Cc2c(F)cccc2Cl)[C@H]1c1ccc(O)c(O)c1 1865026029 IHVUHCTUVYJZLX-OAQYLSRUSA-N 500.958 4.007 10 10 KICE CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1c(F)cccc1Cl 1865146983 XVGSHCKGZCKDEL-XMMPIXPASA-N 540.039 4.446 10 10 KICE CCCOc1cccc([C@@H]2C(C(=O)N3CCN(c4ccc(OC)cc4)CC3)=C(N)Oc3c2c(C)nn3CC)c1 1865262627 CCWALUHHOVLUGZ-SANMLTNESA-N 531.657 4.052 10 10 KICE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4-c4ccccc4Cl)[C@@H]3c3ccc[nH]3)CC2)cc1 1865598500 IXIFVYHCKFDHEP-VWLOTQADSA-N 545.043 4.214 10 10 KICE C[C@@H](NC(=O)c1cc(C2CC2)n2nc(C(C)(C)C)cc2n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867181791 NADMAGZEZCDUBO-MRXNPFEDSA-N 535.604 4.437 10 10 KICE CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(C)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867876165 YSZIBWHNTSGCQV-AZGAKELHSA-N 541.718 4.164 10 10 KICE CC[C@H](NC(=O)c1ccccc1SCC(=O)NCC1CCCCC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868600659 BMYQDJXOALOSDP-MHZLTWQESA-N 566.768 4.341 10 10 KICE CCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CC(=O)N3CC(C)(C)c4ccccc4[C@H]3C2)n1 1869227945 DXPOMYDCWCJLCZ-HHHXNRCGSA-N 540.712 4.445 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccccc3S(C)(=O)=O)C(=O)N(Cc3ccco3)C2=O)cc1 1873418937 HYCTXGPLEVUUDM-UHFFFAOYSA-N 515.591 4.483 10 10 KICE Cc1cc(Br)c(N2C(=O)NC(=O)C(=CNN3C(=O)c4cccc5c(Br)ccc(c45)C3=O)C2=O)cc1C 2297534307 HIGVYMSSTWIXQT-UHFFFAOYSA-N 612.234 4.249 10 10 KICE CC[C@@H](C)Nc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(CCc2ccc(OC)c(OC)c2)C1=O 33379178 RDGOJJJDFNDJOA-GXPOEHQZSA-N 524.668 4.366 10 10 KICE CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 103753142 KQCDMSRADDCNMJ-PDUUCECCSA-N 539.657 4.010 10 10 KICE CN1C(=O)/C(=C/c2cn(CC(=O)N3CCCCCC3)c3ccc(Br)cc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 150624581 DQQWRQSNHLEBFM-WGOQTCKBSA-N 641.588 4.344 10 10 KICE CSCC[C@]1(C(=O)O)N[C@H](c2cc(Cl)ccc2[N+](=O)[O-])[C@H]2C(=O)N(Cc3ccc4c(c3)C(=O)c3ccccc3C4=O)C(=O)[C@@H]21 150657365 CWXDBKAIZXOZDJ-UMDYSXRGSA-N 634.066 4.046 10 10 KICE O=C(/C=C\c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)Nc1ccc(N2CCN(C(=O)/C=C/c3ccccc3)CC2)cc1 206018962 QCVCUWYOLJCTEQ-UFSWOOAPSA-N 567.646 4.445 10 10 KICE C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)CCN2C(=O)/C(=C/c3cccs3)SC2=S)[C@H]2CCS(=O)(=O)C2)o1 256043702 RQHFZRIZNZIEDL-QTIZIQSMSA-N 550.749 4.272 10 10 KICE O=C1N[C@@H](c2cc(I)cc(I)c2O)[C@@H](C2CCCCC2)O1 575256998 SPRACCUYHYYQNP-GXTWGEPZSA-N 513.113 4.331 10 10 KICE CCC[C@@H](NC(=O)CCc1ccc(Br)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861951599 GKTCAHGSLXXAGG-HSZRJFAPSA-N 502.453 4.024 10 10 KICE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCC1)=C(N)O2 1864019686 OYFWZTIPJBJYKM-DEOSSOPVSA-N 502.615 4.275 10 10 KICE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@H](C)C1)=C(N)O2 1865029868 WXKOHNZASGFUMW-PXAQALGRSA-N 539.032 4.220 10 10 KICE CCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@H](C)C1)=C(N)O2 1865033233 VCUIJPZOPGKWNW-XFAGBWLFSA-N 502.615 4.104 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCN(c5ccc([N+](=O)[O-])cc5)CC4)nc(C(C)(C)C)n3)CC2)cc1 1867969153 RQGPCSOGMPFYPU-UHFFFAOYSA-N 531.661 4.344 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCC(n5cnnc5C)CC4)nc(-c4ccccc4)n3)CC2)cc1 1869206365 LNHMUVGNIHLGQQ-UHFFFAOYSA-N 510.646 4.220 10 10 KICE COc1ccc(OCC(=O)Nc2cccc(C(=O)CCN3CCN(c4ccc(OC)cc4)CC3)c2)cc1 1874727141 QPJWIDQTIAEWKV-UHFFFAOYSA-N 503.599 4.116 10 10 KICE COc1ccc(N2CCN(CCC(=O)c3cccc(NC(=O)COc4cccc(OC)c4)c3)CC2)cc1 1874728489 BQKRGYGDZWMFJZ-UHFFFAOYSA-N 503.599 4.116 10 10 KICE O=C(CCN1C(=O)C(=Cc2ccc(F)cc2)SC1=S)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 2297456618 YWAXALCWOCNRPE-UHFFFAOYSA-N 548.668 4.313 10 10 KICE Cc1cccn2c(=O)c(C=C3SC(=S)N(CCCc4ccccc4)C3=O)c(NC[C@H]3CCCO3)nc12 2297461029 IBTPEPOHINWBJA-HXUWFJFHSA-N 520.680 4.428 10 10 KICE C[C@H]1CCCN(C2=NC(=O)C(=Cc3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N(C)C)c3)S2)C1 2297470373 HYKQMXKPAACTDH-IBGZPJMESA-N 535.695 4.492 10 10 KICE COc1cc(C=C2SC(=S)N(NC(=O)COc3cc(Cl)c(Cl)cc3Cl)C2=O)ccc1OCC(=O)O 2314397507 SQNWOPGQBHHOBZ-UHFFFAOYSA-N 577.851 4.430 10 10 KICE COc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 20236343 XNUUSVBAIWGAMX-NMAPKEJLSA-N 513.304 4.395 10 10 KICE CCCCOC(=O)c1ccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3CC(C)C)[C@H]2c2ccc(O)c(O)c2)cc1 1864009378 GHQQJKUXYVZKDZ-RUZDIDTESA-N 548.640 4.227 10 10 KICE CC(C)NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1864015981 YBKHOHBZIZWIOT-MRXNPFEDSA-N 508.884 4.175 10 10 KICE CCCN(CCC(=O)OCC)C(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1 1865032333 ALNYNSGLLFSVJC-VWLOTQADSA-N 548.640 4.041 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)C3(c4ccc(N)cc4)CCCCC3)CC2)cc1 1868932510 PUHFFIJWNHBWDX-AREMUKBSSA-N 524.731 4.066 10 10 KICE COc1ccc(N2CCN(c3cc(N(C(=O)[C@@H]4CCCN4)C4CCCCC4)nc(-c4cccnc4)n3)CC2)cc1 1869358367 TXPLDAHHRKOYIT-MHZLTWQESA-N 541.700 4.292 10 10 KICE COCCOC(=O)c1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCn3ccnc3)C2=O)cc1 1873423747 QSNLMMKYWDMNND-UHFFFAOYSA-N 567.646 4.376 10 10 KICE O=C(CC[C@H]1NC(=O)N(c2cccc3ccccc23)C1=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874017730 URBJVVVPBNXNNJ-HSZRJFAPSA-N 503.514 4.459 10 10 KICE O=C1C(=Cc2c(NCc3ccc4c(c3)OCO4)nc3ccccn3c2=O)SC(=S)N1CCc1ccccc1 2296724085 HZVZRWYHGDDDRB-UHFFFAOYSA-N 542.642 4.479 10 10 KICE O=C1N=C(N2CCOCC2)SC1=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCC2)c1 2314476540 QIFABQHOOTYDEW-UHFFFAOYSA-N 563.705 4.016 10 10 KICE CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2Br)C(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc1 33358470 MPKFPYYFFKYHDD-LWDJKDBSSA-N 561.480 4.094 10 10 KICE CCSC1=NSC2=NC(=O)/C(=C\c3cc(OC)c(OCCOc4cccc(OC)c4)c(OC)c3)C(=N)N12 101348305 IGLHWGCXNVIMGY-XYSYLGEOSA-N 542.639 4.500 10 10 KICE Cc1ccc(C)c(OCCOc2ccc(/C=C3\C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2Cl)c1 101398100 NIYHUMKYGBEALJ-SVBOREBNSA-N 533.031 4.036 10 10 KICE COc1cc(/C=C2\C(=O)N(c3cccc(C(=O)O)c3)N=C2C)ccc1OCC(=O)N[C@@H](C)c1ccccc1 101603108 BVPYLVJKFJNJCR-SMNNTEATSA-N 513.550 4.456 10 10 KICE COc1cccc(/C=C\C(=O)Nc2ccc3nc(N4CCN(c5ncccn5)CC4)cc(C)c3c2)c1OC 104345266 YVUCIOUBAJZJAO-FLIBITNWSA-N 510.598 4.329 10 10 KICE NS(=O)(=O)c1ccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3Cl)[C@H]2c2ccc(O)c(O)c2)cc1 526313596 LSWNKUXLBGQYGK-HXUWFJFHSA-N 507.351 4.109 10 10 KICE COc1ccc(CCNC(=O)C2=C(N)Oc3c(c(C)nn3-c3ccccc3Cl)[C@H]2c2ccc(O)c(O)c2)cc1 1864009112 ZMUVSKBVEWXPAA-RUZDIDTESA-N 547.011 4.307 10 10 KICE COc1ccc(-c2nn(C)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)NC2CCCCCCC2)=C(N)O3)cc1 1864022018 IPLKXFQKCUYDOE-HSZRJFAPSA-N 518.614 4.431 10 10 KICE CCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@@H](C)C1)=C(N)O2 1865034599 AEOMREUCUBIFHO-SRGWNRLKSA-N 520.605 4.243 10 10 KICE O=C(O)COc1cccc(C=C2SC(=S)N(NC(=O)c3ccc(OCc4ccccc4)cc3)C2=O)c1 2314930698 HYKQHTFNJJKLJM-UHFFFAOYSA-N 520.588 4.275 10 10 KICE CCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(C)C)c2)SC1=S 35447478 YYNDULMODMTYLF-RCCKNPSSSA-N 512.682 4.401 10 10 KICE CCN1C(=O)/C(=C2\SC(=S)N(NC(=O)c3ccccc3C)C2=O)c2cc(Br)ccc21 40940673 LMSAGPXEHVCMRE-MSUUIHNZSA-N 502.415 4.040 10 10 KICE COc1ccc(CCN2C(=O)/C(=C/c3c(NC[C@H]4CCCO4)nc4ccc(C)cn4c3=O)SC2=S)cc1OC 105757438 CXWHQVFSJQEULM-JVMBGAFUSA-N 566.705 4.055 10 10 KICE CCn1c(NCc2ccc3c(c2)OCO3)c(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c(C)c(C#N)c1=O 143247146 FPONWCTZNVEXTK-YVNNLAQVSA-N 534.619 4.384 10 10 KICE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1F)=C(N)O2 1864007803 VIYQHFSZIGYIRN-QHCPKHFHSA-N 520.948 4.395 10 10 KICE COCCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1864014418 USUNKVPPLITALQ-HSZRJFAPSA-N 547.011 4.451 10 10 KICE COc1ccc(-c2nn(C)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)N[C@@H](C)c2ccc(OC)cc2)=C(N)O3)cc1 1864021713 FUAGNMOLRFDFBK-UPCLLVRISA-N 542.592 4.088 10 10 KICE CCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1C)=C(N)O2 1865033359 XYWRZYZPOUEMTL-KOSHJBKYSA-N 502.615 4.309 10 10 KICE CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1c[nH]c2ccccc12 1865371528 KKPPJCUOYHRVAZ-AREMUKBSSA-N 540.668 4.389 10 10 KICE CC[C@H](NC(=O)[C@@H](c1ccc(Br)cc1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868854847 MNSVFXWBIKYWSG-BJKOFHAPSA-N 516.480 4.441 10 10 KICE CCC[C@H](NC(=O)CCc1csc(-c2ccccc2)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868906343 QLSSLEPWIDGHMZ-VWLOTQADSA-N 506.672 4.385 10 10 KICE COC(=O)c1c(-n2c(C)cc(C=C3C(=O)NC(=O)N(Cc4ccco4)C3=O)c2C)sc2c1CCCC2 2296252552 AZSJQQJUVVTXOW-UHFFFAOYSA-N 507.568 4.076 10 10 KICE COc1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)ccc1OCCCOc1ccc(Cl)cc1 2296560794 DIXXQXURYHRFFL-UHFFFAOYSA-N 510.930 4.452 10 10 KICE CN1C(=O)C(=Cc2ccc(Sc3nc4ccc(N5C(=O)[C@H]6CCCC[C@H]6C5=O)cc4s3)c([N+](=O)[O-])c2)C(=O)N(C)C1=O 103806114 WBWPRWWWMZMHHW-CALCHBBNSA-N 605.654 4.469 10 10 KICE Cn1c(=O)oc2cc(N/C=C3\C(=O)NC(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)ccc21 104988936 UDSVQMCASWIPMF-PXLXIMEGSA-N 512.566 4.178 10 10 KICE CCc1nn(CC(C)C)c2c1[C@H](c1ccc(F)cc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865524681 LGKQCORXGFYUJG-VWLOTQADSA-N 533.648 4.293 10 10 KICE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H]3CC(=O)N(c4ccccc4)C3)cccc21 1866877322 HGWVGZQUCPTWNZ-RBISFHTESA-N 557.606 4.181 10 10 KICE CC(C)NC(=O)COc1cn(CCc2cnc[nH]2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870944177 COPRYGYHVBUZIG-UHFFFAOYSA-N 500.603 4.073 10 10 KICE O=C1N=C(N2CCN(c3ccccc3[N+](=O)[O-])CC2)SC1=Cc1ccc(OS(=O)(=O)c2ccccc2)cc1 2296038071 IZUVRFAGYIOKEJ-UHFFFAOYSA-N 550.618 4.155 10 10 KICE CCCCN1C(=O)C(=Cc2c(N3CCN(c4ccc(F)cc4)CC3)nc3ccc(C)cn3c2=O)SC1=S 2297075352 SSVATXKABCMDDS-UHFFFAOYSA-N 537.686 4.470 10 10 KICE CCCN1C(=O)/C(=C2\SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)c2ccccc21 40940430 ARCMEIJWYZLCHG-MSUUIHNZSA-N 502.415 4.122 10 10 KICE CCCCNc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(c2c(C)n(C)n(-c3ccccc3)c2=O)C1=O 100885993 FVFKIRREYCLDAZ-LTGZKZEYSA-N 560.705 4.419 10 10 KICE CCOc1cc(/C=C2\C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)ccc1OCc1ccccc1F 102478278 WOLQPJXQJLABKP-SSYJJTASSA-N 535.601 4.435 10 10 KICE CCc1ccc(OCCOc2ccc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)CC)cc2Cl)cc1 104561670 WHNSHRZUVAYLFZ-WTCJYIDHSA-N 547.058 4.372 10 10 KICE CCOC(=O)[C@H](C(=O)C(=O)Nc1c(F)cc(F)cc1Br)c1nc2ccc3c(c2nc1O)C(=O)c1ccccc1C3=O 150670302 DKYPNRIAYRRYDA-IBGZPJMESA-N 624.350 4.006 10 10 KICE CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(Br)cc1OC(C)C 1084638602 YCGLRZIOBDARTB-CHHVJCJISA-N 517.332 4.030 10 10 KICE O=C(O)[C@H](CO)N1C(=O)/C(=C\c2cn(CCOc3ccc(Cl)cc3)c3ccccc23)SC1=S 1858595837 JDWCWICWVPZAHE-ATASCALFSA-N 503.001 4.020 10 10 KICE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOCC)=C(N)O2 1864012489 ARNPZOMMZVMAHA-QHCPKHFHSA-N 541.048 4.186 10 10 KICE COCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cc(C)ccc2C)[C@H]1c1ccc(O)c(O)c1 1864016588 SYIGSFAIGXNEMV-RUZDIDTESA-N 540.620 4.084 10 10 KICE CCCCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccn2)[C@@H]1c1ccc(O)c(O)c1 1864022253 LCFXGJLVPZJCLU-SFHVURJKSA-N 517.508 4.088 10 10 KICE CCOC(=O)c1c(NC(=O)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)C(=O)O)sc2c1CCCC2 1865971452 AZJAIRAAKOHHAC-DHIUTWEWSA-N 565.600 4.278 10 10 KICE COCCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCN(CC(C)(C)C)CC2)n1 1868254336 LZMZWSHUJMDYKO-UHFFFAOYSA-N 513.642 4.353 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](CSCc3ccccc3)NC(=O)[C@@H](c3ccccc3)N(C)C)CC2)cc1 1868676072 JXNLFSXTJCDIBE-FQLXRVMXSA-N 546.737 4.065 10 10 KICE CCC[C@@H](NC(=O)Cc1nc(-c2ccc(CC)cc2)oc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868988248 UQOAOULLIBBPGX-AREMUKBSSA-N 518.658 4.397 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccc(S(N)(=O)=O)cc3)C(=O)N([C@@H]3CCCC[C@H]3C)C2=O)cc1 1873164723 PAGNZIQQDIZJCY-NIYFSFCBSA-N 546.693 4.190 10 10 KICE COC(=O)c1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCn3ccnc3)C2=O)c1 1873423458 MSRJKHLSSUBHDY-UHFFFAOYSA-N 523.593 4.360 10 10 KICE [N-]=[N+]=NCCOc1c(I)cc(I)cc1I 109314846 NOAYHRQGWQEYOJ-UHFFFAOYSA-N 540.868 4.190 10 10 KICE [N-]=[N+]=NCCCCNC(=O)c1cc(I)cc(I)c1I 701282937 YPLILXZGYFFACX-UHFFFAOYSA-N 595.948 4.321 10 10 KICE CC1=C(C(=O)Nc2ccccc2C)[C@H](c2cccs2)n2c(sc(=Cc3ccc(N(C)C)cc3)c2=O)=N1 1772723040 YIXAIFSYLRFIAT-VWLOTQADSA-N 514.676 4.310 10 10 KICE CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCN(Cc3ccccc3)CC1)=C(N)O2 1864014092 NFZZEQPTGYCDBT-AREMUKBSSA-N 545.684 4.132 10 10 KICE CCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(F)cc1)=C(N)O2 1864017492 NRKLKYKLYGZUOV-DEOSSOPVSA-N 530.556 4.005 10 10 KICE CCc1nn(C)c2c1[C@H](c1ccc(C(C)(C)C)cc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865128251 YPYOLIKXQBLACP-VWLOTQADSA-N 529.685 4.332 10 10 KICE COc1ccc(N2CCN(S(=O)(=O)c3ccc(OCc4cc(=O)oc5ccc(C)cc45)cc3)CC2)cc1 1872718992 ZUZZQPCGMIQZNF-UHFFFAOYSA-N 520.607 4.200 10 10 KICE CCOc1ccccc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCN2CCOCC2)C1=O 1873425807 MSBBYTHEIYUNTH-UHFFFAOYSA-N 514.626 4.017 10 10 KICE CC[C@@H](C)N1C(=O)C(=Cc2c(N3CCN(Cc4ccccc4)CC3)nc3c(C)cccn3c2=O)SC1=S 2296845236 MHGNPHYTXKDBQN-HXUWFJFHSA-N 533.723 4.325 10 10 KICE CCCN1C(=O)C(=Cc2c(N3CCN(c4ccc(F)cc4)CC3)nc3ccc(C)cn3c2=O)SC1=S 2297463925 VWLKUMGBFSTZOA-UHFFFAOYSA-N 523.659 4.080 10 10 KICE Cc1ccsc1CN(C(=O)CCN1C(=O)C(=Cc2ccc(F)cc2)SC1=S)[C@H]1CCS(=O)(=O)C1 2314600212 RUABSXDQMIDXAN-SFHVURJKSA-N 538.713 4.003 10 10 KICE CCCCCN1C(=O)/C(=C\c2c(N3CCN(c4ccc(OC)cc4)CC3)nc3ccccn3c2=O)SC1=S 102684896 NJFJJVGJZWLTLD-FCDQGJHFSA-N 549.722 4.421 10 10 KICE CC1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3\SC(=S)N([C@@H]4CCS(=O)(=O)C4)C3=O)c2)CC1 150447495 JMAHJLMJLUULOJ-PGOXGVTESA-N 642.850 4.348 10 10 KICE CCCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(C(F)(F)F)c1)=C(N)O2 1864014129 NYOVOZMCGBBRAY-HXUWFJFHSA-N 516.520 4.297 10 10 KICE Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCc1ccccc1Cl)[C@@H]2c1ccc(O)c(O)c1 1864016449 PHQSBGKWEZQDRU-OAQYLSRUSA-N 502.958 4.163 10 10 KICE CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC13CC4CC(CC(C4)C1)C3)=C(N)O2 1864021124 KOXHJVJMECZCKI-BHNGUXPSSA-N 506.647 4.292 10 10 KICE CCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1C)=C(N)O2 1865033360 XYWRZYZPOUEMTL-MHECFPHRSA-N 502.615 4.309 10 10 KICE CC[C@H](NC(=O)C[C@H](c1ccccc1)c1nnc(C)o1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867032111 VLWCSHWXXMOTEG-PKTZIBPZSA-N 522.561 4.209 10 10 KICE CSCC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(CC(C)C)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867423637 KWHYNQXYVSWDHV-WDYNHAJCSA-N 607.821 4.200 10 10 KICE CSCC[C@@H](NC(=O)c1ccc(N(C)C)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867889043 NRGOEHLRYVCQLM-KAYWLYCHSA-N 525.763 4.014 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)Cc3ccc(C)c(Br)c3)CC2)cc1 1869031671 ZFLXMQUMUQHJMM-MHZLTWQESA-N 550.497 4.385 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccc(S(N)(=O)=O)cc3)C(=O)N([C@H]3CCCC[C@@H]3C)C2=O)cc1 1873164724 PAGNZIQQDIZJCY-SIBVEZHUSA-N 546.693 4.190 10 10 KICE COc1cc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCNC(C)=O)C2=O)c(OC)cc1Cl 1873422341 RVAMAXAQHJXRCA-UHFFFAOYSA-N 537.016 4.093 10 10 KICE COc1ccc(NC(=O)CN2C(=O)C(=C3SC(=S)N(Cc4ccccc4)C3=O)c3ccccc32)cc1 2040467115 YLKSVYSYYIFRGX-UHFFFAOYSA-N 515.616 4.452 10 10 KICE CC[C@@H](C)N1C(=O)C(=Cc2c(N3CCN(c4ccc(F)cc4)CC3)nc3ccc(C)cn3c2=O)SC1=S 2297463995 COJMBKDYYFZUAQ-GOSISDBHSA-N 537.686 4.468 10 10 KICE CC1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C3SC(N4CCC(C(N)=O)CC4)=NC3=O)c2)CC1 2314476966 YXOPWFPKRXWNSF-UHFFFAOYSA-N 618.785 4.128 10 10 KICE Cc1c(N2C(=O)/C(=C/c3c[nH]nc3-c3cccc([N+](=O)[O-])c3)SC2=S)c(=O)n(-c2ccccc2)n1C 101033344 CFLLIEAZUGSWDH-UNOMPAQXSA-N 518.580 4.189 10 10 KICE CCOC(=O)CCCCCN1C(=O)/C(=C\c2cc(Br)c(OCC(=O)N3CCOCC3)c(OC)c2)SC1=S 101732064 GRGJOTYYYASNTI-HMMYKYKNSA-N 615.568 4.020 10 10 KICE COc1ccc(CCN2C(=O)/C(=C\c3c(NCCCOC(C)C)nc4ccccn4c3=O)SC2=S)cc1 102863038 CRLZMBYPOOKUIO-OQKWZONESA-N 538.695 4.374 10 10 KICE Cc1c(N2C(=O)/C(=C/c3c(N4CCCC[C@@H]4C)nc4ccccn4c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C 110076690 SMFQFFRQAYNMQR-LSOGNMMWSA-N 572.716 4.277 10 10 KICE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCc2ccc(F)cc2)[C@H]3c2ccc(O)c(O)c2)cc1 1864008376 JGGVVSLFURYMSU-DEOSSOPVSA-N 500.530 4.050 10 10 KICE CCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H]1CCCC[C@H]1C)=C(N)O2 1864017232 IPZQCNXZRCLUCT-WONHAXNMSA-N 518.614 4.244 10 10 KICE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccco1)=C(N)O2 1864018861 SNFQIRMXCLEYKZ-QFIPXVFZSA-N 538.963 4.302 10 10 KICE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)N2CCC(C)CC2)[C@H]3c2ccc(O)c(O)c2)c1 1865025657 BFCALZYKJGMCHT-VWLOTQADSA-N 502.615 4.221 10 10 KICE CN1C(=O)C(C)(C)c2cc(C(=O)N[C@H](Cc3ccc(O)cc3)C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)ccc21 1867203275 GSZDTTWYUKPUGB-HHHXNRCGSA-N 587.632 4.401 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)C[C@@H](c3cccc(Br)c3)c3nccs3)CC2)cc1 1868893771 IXLXOYWGYYKBIH-JPYJTQIMSA-N 557.514 4.290 10 10 KICE COc1ccc(N2CCN(c3nc(=NCc4ccccc4F)[nH]c(=Nc4ccc(C)cc4C)[nH]3)CC2)cc1 1871604704 NGKRTFSWBVLPIP-UHFFFAOYSA-N 513.621 4.162 10 10 KICE COc1ccc(N2CCN(Cc3ccc(C(=O)Nc4ccc(CN5CCN(C)CC5)cc4)cc3)CC2)cc1 1872884463 SZGBPYKEKVPNJB-UHFFFAOYSA-N 513.686 4.017 10 10 KICE CCCOC(=O)c1ccc(CN2C(=O)C(NCCN(C)C)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873165520 MMYCWEOTXAOQRO-UHFFFAOYSA-N 528.653 4.092 10 10 KICE COc1ccc(CN2C(=O)C(=Cc3c(N4C[C@H](C)O[C@@H](C)C4)nc4ccc(C)cn4c3=O)SC2=S)cc1 2295987663 JYXGYIAFLYDUJL-ROUUACIJSA-N 536.679 4.027 10 10 KICE COc1ccc(NC(=O)CN2C(=O)C(=C3SC(=S)N(Cc4ccco4)C3=O)c3ccccc32)cc1 2296538385 MAQATKBJPCBNMC-UHFFFAOYSA-N 505.577 4.045 10 10 KICE CC(C)C(=O)N[C@@H](Oc1ccc(C=C2SC(=S)N(CCC(=O)O)C2=O)cc1)C(Cl)(Cl)Cl 2297497547 QXOARTSOSHWIES-KRWDZBQOSA-N 525.863 4.210 10 10 KICE CCOc1c(I)cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1I 2313559206 UBAGTVTXMNBOBP-UHFFFAOYSA-N 622.197 4.265 10 10 KICE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3CCC(C(N)=O)CC3)=NC2=O)cc1C 33431769 CSUCVTGLYRAXTK-LFVJCYFKSA-N 515.639 4.414 10 10 KICE COc1cc(/C=C2\C(=N)N3C(SC)=NSC3=NC2=O)cc(OC)c1OCCOc1ccccc1C 96459414 FLEXNKQDKDKCGX-UXMLFEQVSA-N 512.613 4.410 10 10 KICE CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1ccccc1 254340888 GRIIHXCIHDNGAX-MHZLTWQESA-N 509.631 4.002 10 10 KICE NC1=C(C(=O)NCc2ccccc2F)[C@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3ccccc3)c2O1 1864016073 ZNXOBHDRJFXUFE-HXUWFJFHSA-N 540.473 4.452 10 10 KICE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1ccccc1Cl)[C@@H]2c1ccc(O)c(O)c1 1864021592 DDKSYVQURYWROT-QGZVFWFLSA-N 522.911 4.388 10 10 KICE CCOc1cc(C(=O)N[C@H](C)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc(OCC)c1OCC 1867389967 IYELMHIKYVJIPC-ATIYNZHBSA-N 554.732 4.410 10 10 KICE CCN(CC)CCCCN1C(=O)C(NCCCn2ccnc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873167848 AKGPQXNFCMGCBJ-UHFFFAOYSA-N 516.690 4.172 10 10 KICE C[C@@H]1Cc2cc(-c3nn(-c4ccccc4)cc3C=C3SC(=S)N([C@@H]4CCS(=O)(=O)C4)C3=O)ccc2O1 2296541909 IKDALLQSFLPWAU-IIBYNOLFSA-N 537.688 4.251 10 10 KICE Cc1ccc(CN2C(=O)C(=Cc3c(N4C[C@@H](C)O[C@H](C)C4)nc4ccccn4c3=O)SC2=S)cc1 2314399889 DZEDVTMJPUKZAM-QZTJIDSGSA-N 506.653 4.018 10 10 KICE CCOc1cc(C=C2SC(=S)N(NS(=O)(=O)c3ccc(Cl)cc3)C2=O)ccc1O[C@H](CC)C(=O)O 2314934611 IRHPRFPTQMASSC-MRXNPFEDSA-N 557.071 4.075 10 10 KICE O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C\c1cc(Br)c(O)c(I)c1 100454610 QDLMYCORFUDGDX-WCIBSUBMSA-N 608.049 4.353 10 10 KICE CCOc1cc(/C=C2/C(=O)NC(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)cc(I)c1OC 104348390 BPCIXNCQWCUHJO-SDQBBNPISA-N 586.766 4.036 10 10 KICE O=C1/C(=C/c2c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccc(F)cc1 105480627 UOUYRBCUZUKLRX-QQXSKIMKSA-N 615.712 4.286 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)cc3OC)c(=O)n2[C@@H]1c1ccc(SC)cc1 254704695 PKZDSAMTANCQMU-AREMUKBSSA-N 551.734 4.375 10 10 KICE Cc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H]1CCCC[C@@H]1C)=C(N)O2 1864011980 OIGJPGFVHKKUEA-VNJOCVIMSA-N 506.578 4.180 10 10 KICE NC1=C(C(=O)NCc2cccnc2)[C@@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3ccccc3)c2O1 1864014323 RXEHLDVDIBZECI-VWLOTQADSA-N 531.572 4.357 10 10 KICE CCN(CC)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(F)cc2)[C@H]1c1ccc(O)c(O)c1 1865034082 OMQKPVFSECHCAO-GOSISDBHSA-N 520.483 4.064 10 10 KICE CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccco1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865315938 QPGXMRXHCDCTKT-HHHXNRCGSA-N 539.636 4.388 10 10 KICE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1ccncc1 1865410071 NKOHEZSNOYDSFV-VWLOTQADSA-N 536.636 4.017 10 10 KICE COc1ccc(N2CCN(C(=O)CN3C(=O)c4c(Cl)c(Cl)c(Cl)c(Cl)c4C3=O)CC2)cc1 1866306772 SEFAJEGPQQWLIW-UHFFFAOYSA-N 517.196 4.254 10 10 KICE CN(C)c1ccc([C@@H](CNC(=O)[C@H](CO)NC(=O)c2c(Cl)ccc(Cl)c2Cl)N2CCCCC2)cc1 1867741357 GCYHKTVTJGQBSZ-LEWJYISDSA-N 541.907 4.147 10 10 KICE CC(C)(C)c1cc2nc(C(=O)NCC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cc(C3CC3)n2n1 1868158753 OKKLLOIKVTYUQD-UHFFFAOYSA-N 521.577 4.048 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)CCC(=O)c4ccc(F)cc4)n(C(C)(C)C)n3)CC2)cc1 1869970521 MQFGTWAZJHMTIT-UHFFFAOYSA-N 508.598 4.109 10 10 KICE Cc1ccc2nc(N3CCN(c4ccccc4)CC3)c(C=C3SC(=S)N(C4CCCC4)C3=O)c(=O)n2c1 2296203298 YPKWMUAEKWUTLL-UHFFFAOYSA-N 531.707 4.473 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=CC(Br)=Cc3ccccc3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 2313515168 DKXBSABTBCBUJL-XMMPIXPASA-N 552.494 4.252 10 10 KICE CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)ccc1O[C@@H](C)C(=O)O 2314935532 PTMHRDADRVTODX-LBPRGKRZSA-N 551.440 4.246 10 10 KICE COc1ccc(N2CCN(c3ncnc(Nc4ccc(C(=O)OCC(C)C)cc4)c3[N+](=O)[O-])CC2)cc1 40611207 YDPGBGOXFZVIRW-UHFFFAOYSA-N 506.563 4.276 10 10 KICE COc1ccc(/C=C2\SC(=S)N(CCC(=O)N(Cc3ccc(N4CCCCC4)o3)[C@H]3CCS(=O)(=O)C3)C2=O)cc1 101909649 PMRBDXWZHXRNLV-HLJDWQABSA-N 603.788 4.086 10 10 KICE O=C(CSC1=NCCS1)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CSC3=NCCS3)cc1C2=O 105528099 VGZJGKUBNIFOLO-UHFFFAOYSA-N 556.716 4.011 10 10 KICE O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)N=C(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)N1c1ccc([N+](=O)[O-])cc1 109203105 HPVTVPRGEUJBPN-AWQFTUOYSA-N 504.371 4.154 10 10 KICE C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3/SC(=S)N(CCC(=O)O)C3=O)c2)C[C@@H](C)O1 110558238 GCYCZONNJIYWEQ-GLXMVNEWSA-N 612.755 4.013 10 10 KICE CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3\SC(=S)N(CCC(=O)O)C3=O)c2)CC1 150448141 SVTPCEKBYYDNHO-BWAHOGKJSA-N 654.792 4.179 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccc(C(C)=O)cc4)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 1084213007 FWTMQPYDBDIGOZ-NDEPHWFRSA-N 555.656 4.327 10 10 KICE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCOc1cc(C)cc(C)c1)[C@H]2c1ccc(O)c(O)c1 1864023443 ZCVNUSCBXAOBRY-FQEVSTJZSA-N 546.546 4.230 10 10 KICE CC1CCN(C(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3-c3ccccc3)[C@@H]2c2ccc(O)c(O)c2)CC1 1865032234 YRFYFIXTBIDTSY-IBGZPJMESA-N 514.504 4.255 10 10 KICE CCCc1nn(CC)c2c1[C@@H](c1ccccc1F)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865069077 NYZZPNNAULSLCV-XMMPIXPASA-N 519.621 4.047 10 10 KICE CC[C@](C)(NC(=O)c1ccc2c(c1)C(=O)N(CC(C)C)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867424192 XXBWQHSKODYWIY-UVMMSNCQSA-N 575.754 4.247 10 10 KICE COc1ccc([C@H](C(=O)N[C@@H](CCSC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)C(C)C)cc1 1868857674 SYEOMPDPNBQJCP-IZZNHLLZSA-N 513.704 4.030 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)Cc3ccc(C)c(Br)c3)CC2)cc1 1869031670 ZFLXMQUMUQHJMM-HHHXNRCGSA-N 550.497 4.385 10 10 KICE CCc1nc(N2CCN(CCCc3cccc(F)c3)CC2)cc(N2CCN(c3ccc(OC)cc3)CC2)n1 1869126540 YVCYYVKTORLZGQ-UHFFFAOYSA-N 518.681 4.268 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)c4ccc(F)cc4F)n(-c4ccc(C)cc4)n3)CC2)cc1 1869970715 VVJOMSKDBMFZEZ-UHFFFAOYSA-N 504.541 4.441 10 10 KICE [N-]=[N+]=NCCc1cc(I)cc(I)c1I 1951354597 NFBJJJWNMVKLMS-UHFFFAOYSA-N 524.869 4.353 10 10 KICE O=C1NC(=S)N(c2cccc(Br)c2)C(=O)C1=Cc1cc(Cl)cc(Br)c1O 2294259099 IQBCBPOXIHSKBC-UHFFFAOYSA-N 516.598 4.402 10 10 KICE Cc1cccn2c(=O)c(C=C3SC(=S)N(CC(C)C)C3=O)c(N3CCN(c4ccc(F)cc4)CC3)nc12 2296732321 VEXFEKCGIZCELW-UHFFFAOYSA-N 537.686 4.326 10 10 KICE O=C(O)CCCCCN1C(=O)/C(=C\c2c(NCCc3ccccc3)nc3ccccn3c2=O)SC1=S 33779427 AVWDZTAIFWKUBZ-LVZFUZTISA-N 522.652 4.195 10 10 KICE Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)nc12 100858236 RBTXOIOHDLJUIR-PKAZHMFMSA-N 611.749 4.455 10 10 KICE Cc1cccn2c(=O)c(/C=C3\SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(NCCCOC(C)C)nc12 110553070 OEDXBSRDEZFPKD-QJOMJCCJSA-N 604.758 4.434 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=C/C(Br)=C/c3ccccc3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 1084470075 DKXBSABTBCBUJL-XFGDZUGVSA-N 552.494 4.252 10 10 KICE CCCCCCOc1cn(CCCN2CCCC2=O)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870672965 NYOVYBVMNBAFOC-UHFFFAOYSA-N 524.706 4.151 10 10 KICE COc1cccc(OCCOc2ccc(C=C3C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)cc2OC)c1 2293417983 KZOMLHZHTGZBPW-UHFFFAOYSA-N 522.941 4.481 10 10 KICE Cc1cccc(OCCCOc2ccc(C=C3C(=N)N4N=C(CC(=O)N5CCCC5)SC4=NC3=O)cc2)c1 2297468151 WTKOOXQIMNSNBL-UHFFFAOYSA-N 531.638 4.475 10 10 KICE CCOc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)ccc1OC(=O)c1ccccc1Cl 2297499420 CJCZCQWCGFYVME-UHFFFAOYSA-N 561.041 4.358 10 10 KICE Cc1c(NC(=O)CCN2C(=O)/C(=C\c3ccccc3Cl)SC2=S)c(=O)n(-c2ccccc2)n1C 33344429 MGWGILKJTZJEGJ-XMHGGMMESA-N 513.044 4.368 10 10 KICE CCCn1c(N2CCCC2)c(/C=C2\SC(=S)N(CCc3ccc(OC)cc3)C2=O)c(C)c(C#N)c1=O 39990016 ZYPFOSRFOLMSKL-KQWNVCNZSA-N 522.696 4.491 10 10 KICE CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@@H]1c1cc(OC)ccc1OC 105497610 JWRWVRLTTULFOP-UPWSPCOFSA-N 602.669 4.131 10 10 KICE Cc1c(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)c(N2CCN(Cc3ccccc3)CC2)n(C)c(=O)c1C#N 110519247 GJLOTMLNVGZOCK-DICXZTSXSA-N 599.738 4.018 10 10 KICE CCCCn1c(N2CCN(C)CC2)c(/C=C2\SC(=S)N(CCc3ccc(OC)cc3)C2=O)c(C)c(C#N)c1=O 110529198 IXOBKHNWBIAHDE-BWAHOGKJSA-N 565.765 4.033 10 10 KICE CCn1c(NCc2ccc3c(c2)OCO3)c(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)c(C)c(C#N)c1=O 143247787 ZNNOTMFICFZMHF-UUYOSTAYSA-N 568.677 4.235 10 10 KICE C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](OC(=O)/C=C/c2ccc(O)cc2)[C@H]1OC(=O)/C=C/c1ccc(O)cc1 238750318 VIRFRWFMTVPWDV-ZZEMBROASA-N 740.670 4.429 10 10 KICE CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(F)cc1)=C(N)O2 1864017757 UPHZABFGKGSLOQ-XMMPIXPASA-N 514.557 4.304 10 10 KICE CC(=O)Oc1ccc(C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867360420 KDDNRMHCCSYDAA-JSOSNVBQSA-N 601.704 4.271 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(N4CCN(C)CC4)cc3)C(=O)N(C[C@@H]3CCCO3)C2=O)cc1 1873419455 GANWDRNIEMVUSA-NDEPHWFRSA-N 539.680 4.217 10 10 KICE CCCCCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3ccc(OC)cc3OC)c3ccccc32)SC1=S 2296710736 WWGIAGHMWUKNSM-UHFFFAOYSA-N 525.652 4.451 10 10 KICE CC[C@@H](C)Nc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O 34254895 ZLSSCWQRMINVPZ-PZUDMAOCSA-N 508.625 4.343 10 10 KICE COc1ccc(CCN2C(=O)/C(=C\c3c(N4CCCC4)nc4ccc(C)cn4c3=O)SC2=S)cc1OC 100850376 OHVODLUVVNJXFC-PXLXIMEGSA-N 536.679 4.064 10 10 KICE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(NCCCOC(C)C)nc12 101011855 OEDXBSRDEZFPKD-HAVVHWLPSA-N 604.758 4.434 10 10 KICE CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C(C)=O)cc4)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 105517652 FWTMQPYDBDIGOZ-XQNWCSQWSA-N 555.656 4.327 10 10 KICE CCCCn1c(N2CCN(CC)CC2)c(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c(C)c(C#N)c1=O 110528818 MOBHLVUZJIYIEO-ULJHMMPZSA-N 535.739 4.372 10 10 KICE Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)N(Cc3ccc(C)o3)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 207327795 AQBDBGYWGUMEFX-YRXLECQKSA-N 532.709 4.094 10 10 KICE O=C(CCC[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1C(=O)c1ccccc1)[C@@H]23)NCc1ccc(N2CCOCC2)cc1 257177758 BHYKNGGQSAJERI-HYUUEHCLSA-N 544.740 4.325 10 10 KICE CCOC(=O)C1=C(C)N(C)C2=S=C(c3ccccc3)C(=O)N2[C@@H]1c1ccc(OC(F)F)c(OC)c1 584906366 HNGUICMNESUOOV-HXUWFJFHSA-N 502.539 4.004 10 10 KICE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1)=C(N)O2 1864011661 JTARUDQNJKFGFC-XMMPIXPASA-N 516.985 4.315 10 10 KICE CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(CCC)nn2-c2ccccc2Cl)[C@H]1c1ccc(O)c(O)c1 1865028892 ALOOJMIHELXUSB-HSZRJFAPSA-N 541.048 4.205 10 10 KICE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)N2CCCC[C@@H]2C)[C@H]3c2ccc(O)c(O)c2)cc1 1865031989 SNGVKONNKXYQQU-XOBRGWDASA-N 544.530 4.407 10 10 KICE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4Cc4cccc(F)c4)[C@H]3c3ccco3)CC2)cc1 1865305563 PQIZAGWURMMFRD-AREMUKBSSA-N 543.599 4.024 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)Cc3ccc4nc(O)c(C(C)C)cc4c3)CC2)cc1 1868909946 CVKDTOFEUHTLCT-MHZLTWQESA-N 550.725 4.202 10 10 KICE COc1ccc(OCCCC(=O)Nc2nc(N3CCN(c4ccc(OC)cc4)CC3)nn2C(C)(C)C)cc1 1869970275 HKRDKGJFOOVLGY-UHFFFAOYSA-N 522.650 4.175 10 10 KICE COCCCN1C(=O)C(NCCc2ccc(OC)c(OC)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873166056 AFLJJPAEUZCTNF-UHFFFAOYSA-N 517.626 4.060 10 10 KICE Cc1cccc(-n2ncc3c(=O)n4c(nc32)S[C@@H](CC(=O)NCc2ccc(N3C[C@H]5CC[C@H]3C5)cc2)C4)c1 1892051869 RJHRDAPRPPLWRA-SSPYTLHUSA-N 526.666 4.060 10 10 KICE CCCC1=NN2C(=N)C(=Cc3ccc(OCCOc4ccc([N+](=O)[O-])cc4)c(OC)c3)C(=O)N=C2S1 2293531982 MFOSQSRHCDFUIB-UHFFFAOYSA-N 509.544 4.480 10 10 KICE COc1cc(C=C2C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)ccc1OCc1ccc(F)cc1 2296055592 ADJNRYAUUYDOKW-UHFFFAOYSA-N 521.574 4.045 10 10 KICE Cc1cc(C=C2C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)c(C)n1-c1cccc2ccccc12 2296631146 BLRPHYQFLSGWSN-UHFFFAOYSA-N 526.622 4.115 10 10 KICE O=C1C(=Cc2c(N3CCN(Cc4ccccc4)CC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccco1 2296698704 GZXWXWWGMQJOSN-UHFFFAOYSA-N 543.674 4.011 10 10 KICE NS(=O)(=O)c1ccc(NC(=O)CCCCCN2C(=O)C(=CC=Cc3ccccc3)SC2=S)cc1 2314490639 ZXPVNGWHAOLUJF-UHFFFAOYSA-N 515.682 4.291 10 10 KICE CCc1cc(C)cc(OCCOc2ccc(/C=C3\C(=N)N4N=C(S(=O)(=O)CC)SC4=NC3=O)cc2)c1 101398337 LXJDCHIJHBAPAW-FNKNWIJASA-N 526.640 4.027 10 10 KICE O=C1C[C@H](c2ccc(O)c(O)c2)Oc2c1c(O)cc(O)c2[C@H]1C(=O)c2c(O)cc(O)cc2O[C@H]1c1ccc(O)cc1 136707361 IMIXFUXOSFSXPC-RVBRUHEGSA-N 558.495 4.433 10 10 KICE endogenous,in-man COc1ccc(CCNc2c(/C=C3\SC(=S)N(Cc4ccco4)C3=O)c(C)c(C#N)c(=O)n2C)cc1OC 143270107 YMIAPQXKSHBTOL-QRVIBDJDSA-N 550.662 4.232 10 10 KICE COc1ccc(CCN2C(=O)/C(=C/c3c(N4C[C@H](C)O[C@@H](C)C4)nc4c(C)cccn4c3=O)SC2=S)cc1OC 1772719545 KNBFAFNWTJWMIX-RVPYRKDQSA-N 580.732 4.078 10 10 KICE COCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1864013855 HODRVBOCUVEMGX-QFIPXVFZSA-N 532.984 4.061 10 10 KICE CC(=O)Nc1cccc(C(=O)N[C@@H](Cc2ccc(OC(C)=O)cc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867641336 VWHWBVQPLYCVMI-JHOUSYSJSA-N 613.759 4.321 10 10 KICE CCCC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867689770 JNGKSXHBHKLVRR-XZWHSSHBSA-N 648.270 4.059 10 10 KICE COc1ccc(N2CCN(c3nc(=NCc4ccccn4)nc(Nc4ccc(Cl)cc4)[nH]3)CC2)cc1 1871523279 JCZTVBOAUXUPNG-UHFFFAOYSA-N 503.010 4.033 10 10 KICE O=C(NC1CC1)c1nn(Cc2cccc(C(F)(F)F)c2O)c(C(F)(F)F)c1I 2079256761 FWGVMPJHAVNPQJ-UHFFFAOYSA-N 519.183 4.171 10 10 KICE CCOc1cc(C=C2C(=N)N3C(SC)=NSC3=NC2=O)ccc1OCCOc1ccc(OC)cc1 2297341034 IBMLERMNWSVCHE-UHFFFAOYSA-N 512.613 4.491 10 10 KICE COC(=O)c1ccc(-c2ccc(C=C3SC(=S)N(N4C(=O)c5ccc([N+](=O)[O-])cc5C4=O)C3=O)o2)cc1 2297576608 URXDXQHCIBMSRP-UHFFFAOYSA-N 535.515 4.054 10 10 KICE CCCCn1c(N2CCCCC2)c(/C=C2\SC(=S)N(CCCOCC)C2=O)c(C)c(C#N)c1=O 39990341 WDGWPHPRKCYKET-PGMHBOJBSA-N 502.706 4.447 10 10 KICE CC[C@@H](C)N1C(=O)/C(=C\c2c(N3CCN(Cc4ccccc4)CC3)nc3ccc(C)cn3c2=O)SC1=S 100884395 PKINDBXGYDXYSB-OGTCDWKQSA-N 533.723 4.325 10 10 KICE COc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC(C)C)ccc1OCc1ccccc1C 104562281 KSGJYPXNNQRZEM-ULZOKRSMSA-N 526.640 4.230 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(I)c(OCC)c(I)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 725441088 QNDFDSLRZAVGRC-QHCPKHFHSA-N 743.405 4.472 10 10 KICE Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(CCNC(=O)CCCc3ccc(Cl)cc3)cc2)cc1 1859006911 KRZHLYVAZRSWFA-UHFFFAOYSA-N 516.019 4.081 10 10 KICE Cc1ccc(CCNC(=O)C2=C(N)Oc3c(c(C)nn3Cc3ccccc3)[C@H]2c2ccc(O)c(O)c2)cc1 1864008182 FBAWMVZNCSQBIT-AREMUKBSSA-N 510.594 4.013 10 10 KICE NC1=C(C(=O)NC2CCCC2)[C@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3ccccc3)c2O1 1864014754 BQJNKTPGSLPDGN-GOSISDBHSA-N 500.477 4.056 10 10 KICE Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)NCC(C)C)[C@@H]3c2ccc(O)c(O)c2)cc1 1864015597 SMPZJKUKONPRNX-LJQANCHMSA-N 516.520 4.137 10 10 KICE Cc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C)C1)=C(N)O2 1865026645 QQZSODORVDTZQS-IQMFZBJNSA-N 509.006 4.258 10 10 KICE CCOCCCn1cc(OCCc2ccccc2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870690171 VBDPEIIJSNLFOK-UHFFFAOYSA-N 505.659 4.227 10 10 KICE Cc1ccc2nc(N3CCN(c4ccccc4F)CC3)c(C=C3SC(=S)N(Cc4ccco4)C3=O)c(=O)n2c1 2296138964 GBEJMQIPASPYAG-UHFFFAOYSA-N 561.664 4.463 10 10 KICE COc1ccc(CN2C(=O)C(=C3C(=O)N(CC(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)c4ccccc43)SC2=S)cc1 2296714218 KHLOUEITTITLGC-UHFFFAOYSA-N 625.732 4.250 10 10 KICE CCCN(CCC)c1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(CCCCCC(=O)O)C1=O 34690071 LKUVTHBBSWZFQS-FBMGVBCBSA-N 502.662 4.167 10 10 KICE CCc1nnc(NS(=O)(=O)c2ccc(N/C=C3\C(=O)N(c4ccc(OC)c(Cl)c4)N=C3C)cc2)s1 101350083 VWHDODKSXKUAMK-ATVHPVEESA-N 533.035 4.282 10 10 KICE COc1ccc(N2CCN(c3nc4ccccn4c(=O)c3/C=C3/SC(=S)N(Cc4ccccc4)C3=O)CC2)cc1 102684864 OJRSNVRGZGLDAS-NCELDCMTSA-N 569.712 4.431 10 10 KICE CCCOC(=O)c1ccc(CNC(=O)C2=C(N)Oc3c(c(CCC)nn3CCC)[C@@H]2c2ccc(O)c(O)c2)cc1 1864013578 CYEOEVFRMCFUNM-DEOSSOPVSA-N 548.640 4.235 10 10 KICE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NC13CC4CC(CC(C4)C1)C3)[C@H]2c1ccc(O)c(O)c1 1864022970 SVFOBGQRXBNOTH-HTRQMSTHSA-N 518.536 4.113 10 10 KICE Cc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCc3ccccc3C1)=C(N)O2 1865027467 YSJPQLXPAGYDQK-SANMLTNESA-N 526.568 4.070 10 10 KICE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCc3ccccc3C1)[C@H]2c1ccc(O)c(O)c1 1865031670 LUUHENNWQCHLAE-DEOSSOPVSA-N 508.578 4.261 10 10 KICE CSCC[C@H](NC(=O)C[C@@H]1CC(=O)c2ccccc21)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867242014 SPOJRMZDPXNLEZ-XDHUDOTRSA-N 526.614 4.399 10 10 KICE COc1cc(C(=O)N[C@H](Cc2ccccc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c([N+](=O)[O-])cc1OC 1867807210 UROGAHXCLZSIEK-XRKRLSELSA-N 603.720 4.363 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCC(CN5CCOCC5)CC4)nc(-c4ccc(C)cc4)n3)CC2)cc1 1869157487 BIQBNBPJJWONRG-UHFFFAOYSA-N 542.728 4.336 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)CCC(=O)c4ccc(C)cc4)n(C(C)(C)C)n3)CC2)cc1 1869970935 UHNRWSCQINHMFJ-UHFFFAOYSA-N 504.635 4.278 10 10 KICE COc1cc(C=C2C(=O)NC(=O)N(c3ccccc3C)C2=O)ccc1OCCOc1ccc([N+](=O)[O-])cc1 2293370072 NYAXKKAXFZCHPL-UHFFFAOYSA-N 517.494 4.036 10 10 KICE O=C(O)COc1c(Cl)cc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc1Cl 2294229433 SULOUBWFZVRCDS-UHFFFAOYSA-N 530.183 4.051 10 10 KICE CCN1CCN(c2nc3ccc(C)cn3c(=O)c2/C=C2/SC(=S)N([C@H](C)c3ccccc3)C2=O)CC1 33757400 JFXLXGFAHSWJGR-NDWLXSOOSA-N 519.696 4.107 10 10 KICE CCN(CCc1c(/C=C2\C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)N=C2O)[nH]c2ccccc12)C(C)=O 59089759 CZMCKUNNOZBYDI-XLNRJJMWSA-N 532.597 4.141 10 10 KICE C[C@H]1CCCN(C2=NC(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N4CCOCC4)c3)S2)C1 101013220 MSAZPIHYDCJUQY-HUBZVCNYSA-N 577.732 4.262 10 10 KICE O=C(O)c1cccc(N2C(=O)c3ccc(Oc4ccc(N5C(=O)c6ccc(C(=O)O)cc6C5=O)cc4)cc3C2=O)c1 105670005 OEGJIAWXVPHMSY-UHFFFAOYSA-N 548.463 4.477 10 10 KICE CCn1c(NCCc2ccc(OC)c(OC)c2)c(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c(C)c(C#N)c1=O 143237716 IHGNHLGUMDALNR-QHSFOXILSA-N 568.721 4.100 10 10 KICE CCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc1OC 1084176641 YRDWRMSXTBMJEJ-VGOFMYFVSA-N 571.165 4.127 10 10 KICE CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOc3ccccc31)=C(N)O2 1865032529 FCYZUKKRKOTQLK-VWLOTQADSA-N 524.577 4.275 10 10 KICE CN(C)c1ccc([C@@H](CNC(=O)[C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)N2CCCCC2)cc1 1866024355 PNTMLIHJHWOCQF-FQLXRVMXSA-N 524.665 4.303 10 10 KICE CCCC[C@@H](NC(=O)c1cccc(N2CCCCS2(=O)=O)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866627170 SUIFGZKISZYNJG-AREMUKBSSA-N 573.671 4.319 10 10 KICE O=C(N[C@H](Cc1ccc(F)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(-c2cccnc2)[nH]n1 1867156346 ICUPZGAMWWWBIP-AREMUKBSSA-N 559.557 4.366 10 10 KICE C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C3SC(=S)N(CCCC(=O)O)C3=O)c2)C[C@@H](C)O1 2314476081 IIEXLDOYZRXXQO-WOJBJXKFSA-N 626.782 4.403 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](CSCc3ccccc3)NC(=O)C=Cc3ccco3)CC2)cc1 2331418082 DZVTYRUXLPOKAQ-SANMLTNESA-N 505.640 4.068 10 10 KICE CCOc1cc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OC(=O)c1cccs1 35304962 IXNRLVSHSDGNEE-SVBOREBNSA-N 503.565 4.428 10 10 KICE O=C(CN1C(=O)/C(=C/c2cc(Br)cc(Br)c2O)SC1=S)Nc1nccs1 101966034 DAGHDOJQFSWLQJ-WMZJFQQLSA-N 535.264 4.214 10 10 KICE CCN(CC)c1ccc([C@@H]2C(c3ccc(OC)cc3OC)=C(O)C(=O)N2c2ccc(S(N)(=O)=O)cc2)cc1 526312445 BEPCGZGIWLNKDA-AREMUKBSSA-N 537.638 4.255 10 10 KICE Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)NCc2ccco2)[C@H]3c2ccc(O)c(O)c2)cc1 1864014838 DKJWLPZKQATWCF-FQEVSTJZSA-N 540.498 4.274 10 10 KICE Cc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)Cc1ccccc1)=C(N)O2 1865025715 CFXMVDMAUYGVQJ-VWLOTQADSA-N 514.557 4.143 10 10 KICE CN(C)c1ccc([C@@H](CNC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)N2CCCCC2)cc1 1867683932 SXVJCTAHBNZLPD-CZNDPXEESA-N 700.277 4.251 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)CCC(=O)c3ccc(C)cc3C)c3ccccc3)CC2)cc1 1868936250 CMCOFHBENDINKM-PMERELPUSA-N 513.638 4.481 10 10 KICE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)NCCC(C)C)n4Cc3ccco3)CC2)cc1 1873598517 YCFSACDTECHNRI-UHFFFAOYSA-N 502.619 4.184 10 10 KICE N=C1C(=Cc2ccc(OCc3ccc(F)cc3)cc2)C(=O)N=C2SC(CC(=O)N3CCCCC3)=NN12 2296056480 ULQZFGHISGXFIN-UHFFFAOYSA-N 505.575 4.426 10 10 KICE CS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OCCOc4ccccc4Cl)c(Cl)c3)C(=N)N21 2297345228 DQXDBHDWZVDNOS-UHFFFAOYSA-N 539.422 4.072 10 10 KICE CC(NCCCCN[C@H](C)[C@@H]1N=C(c2ccc(Cl)cc2)OC1=O)=C1N=C(c2ccc(Cl)cc2)OC1=O 2297454748 IPFLJLUJCGYYEL-VFNWGFHPSA-N 529.424 4.248 10 10 KICE CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 6354146 MERAPMXUISVEKJ-QPJBPQEWSA-N 572.643 4.341 10 10 KICE COc1ccc(N2CCN(CCCNC(=O)c3ccc4c(c3)nc(S)n3c5ccccc5nc43)CC2)cc1 20618197 VLSJBUJHPHZRAW-UHFFFAOYSA-N 526.666 4.275 10 10 KICE CN(C)S(=O)(=O)n1cc(/C=C(\NC(=O)c2ccccc2Cl)C(=O)N2CCc3ccccc32)c2ccccc21 101447905 SSYOGRNOANZROZ-ULJHMMPZSA-N 549.052 4.309 10 10 KICE O=C1/C(=C/c2ccc(Cl)cc2)SC(=S)N1CC(=O)N(Cc1ccc(N2CCCCC2)o1)[C@H]1CCS(=O)(=O)C1 101909662 FTIYYWASXGTVAB-ALFKQNEGSA-N 594.180 4.340 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(C)C)c(Br)c3)c(=O)n2[C@@H]1c1ccccc1OCC 252672163 PJVGJTCTXLEGRP-XMMPIXPASA-N 570.509 4.026 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)cc3OC)c(=O)n2[C@H]1c1ccc(Cl)cc1 725401764 XSQMXISSAPGRCF-VWLOTQADSA-N 540.085 4.307 10 10 KICE CCN(CC)CCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2Cl)[C@H]1c1ccc(O)c(O)c1 1864008791 SDUVEIDSHQFMBY-XMMPIXPASA-N 540.064 4.178 10 10 KICE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCC1)=C(N)O2 1864012875 LIWLFAQZBOTYAI-QHCPKHFHSA-N 506.578 4.188 10 10 KICE CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1nc3ccccc3[nH]1)=C(N)O2 1864019640 ODTFLDRRYJEAOC-RUZDIDTESA-N 536.592 4.042 10 10 KICE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC1)=C(N)O2 1865030185 FGYCRNSFWFOLOU-QFIPXVFZSA-N 526.996 4.405 10 10 KICE C[C@@H]1CCCN(C(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3Cc3ccccc3F)[C@@H]2c2ccc(O)c(O)c2)C1 1865033526 BPTBGXVCHRTUTL-VLIAUNLRSA-N 546.521 4.454 10 10 KICE CN(C)c1ccc([C@H](CNC(=O)[C@H](NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c2ccccc2)N2CCCCC2)cc1 1867790500 JWWUBQDAZNFDDE-AJQTZOPKSA-N 614.747 4.312 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)CCc3c[nH]c4ccccc34)CC2)cc1 1868585185 MOYICPALDUKMBO-LJAQVGFWSA-N 510.638 4.185 10 10 KICE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)Cc3nc(-c4cccc(Cl)c4)oc3C)CC2)cc1 1868648720 ZEPWXYXVKHAMQM-UHFFFAOYSA-N 511.022 4.098 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(N4CCN(C)CC4)cc3)C(=O)N(CCCn3ccnc3)C2=O)cc1 1873423058 CLGVOFDJTZYUKQ-UHFFFAOYSA-N 563.706 4.325 10 10 KICE CCOc1cc(C=C2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OC 2294208511 PIICNXWVPADLNM-UHFFFAOYSA-N 542.782 4.183 10 10 KICE CC[C@@H](C)Oc1c(I)cc(C=C2C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1OC 2297454063 FDIBJYGNCBKAJR-GFCCVEGCSA-N 554.381 4.448 10 10 KICE CCOCCCNc1nc2ccc(C)cn2c(=O)c1C=C1SC(=S)N(Cc2ccc(OC)cc2)C1=O 2314413674 DODDZGFOQXDCJF-UHFFFAOYSA-N 524.668 4.251 10 10 KICE CCOC(=O)c1ccc(NC(=O)[C@H](C)N2C(=O)C(=Cc3ccc(OC)c(OC)c3)SC2=S)cc1 2314837438 SGLBUDCBAAFNRA-AWEZNQCLSA-N 500.598 4.109 10 10 KICE O=C1/C(=C\c2c(NCc3ccc4c(c3)OCO4)nc3ccccn3c2=O)SC(=S)N1CCc1ccccc1 102852195 HZVZRWYHGDDDRB-HZHRSRAPSA-N 542.642 4.479 10 10 KICE Cc1ccc(OCCOc2ccc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)C(C)C)cc2)c(C)c1 104562978 BUXKTFZQYQSKNW-RDJYZGLESA-N 526.640 4.161 10 10 KICE COc1ccc2c(c1)c(/C=C\c1nc3ccc(I)cc3c(=O)n1CCCO)c(C)n2C 105292497 ZWFGRBQBPAIPKE-YFHOEESVSA-N 529.378 4.363 10 10 KICE CCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCC1)=C(N)O2 1864019943 RXTMNJZCGWFLHC-XMMPIXPASA-N 502.615 4.357 10 10 KICE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOc3ccccc31)=C(N)O2 1865030041 AWVWZKHVBJKWPZ-QHCPKHFHSA-N 504.587 4.023 10 10 KICE CCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccn1)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867477063 IRFMXTVZBDLCBQ-CONSDPRKSA-N 610.759 4.186 10 10 KICE COC(=O)c1ccc(CN2C(=O)C(NCCOC(C)C)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873165001 CESBUEWIGFJCPQ-UHFFFAOYSA-N 515.610 4.175 10 10 KICE Cc1cc(C)cc(OCCOc2ccc(/C=C3\C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2Cl)c1 101398091 KOVUTLUVFMJXLU-BVDVPRQSSA-N 533.031 4.036 10 10 KICE CCN(CC)c1ccc(C=c2sc3n(c2=O)[C@@H](c2ccc(C(C)C)cc2)C(C(=O)OC)=C(C)N=3)cc1 1565518827 HFRWSLLNRVDNLK-SANMLTNESA-N 503.668 4.378 10 10 KICE CN(C)c1ccc([C@@H](CNC(=O)C(C)(C)NC(=O)c2ccccc2I)N2CCCCC2)cc1 1867855585 IRZSJWNOJSFAHC-HSZRJFAPSA-N 562.496 4.209 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCN(CCc5cccc(OC)c5)CC4)nc(C(C)(C)C)n3)CC2)cc1 1869180437 NJSZXMNHTYJBDQ-UHFFFAOYSA-N 544.744 4.483 10 10 KICE CCOc1ccccc1OCC(=O)Nc1nc(N2CCN(c3ccc(OC)cc3)CC2)nn1-c1ccccc1 1869969419 BTRHDGNELXBYTR-UHFFFAOYSA-N 528.613 4.019 10 10 KICE COc1ccc(N2C(=O)NC(=O)C(=Cc3cn(CCOc4ccccc4OC)c4ccccc34)C2=O)cc1 2293601519 GIXDYHUPLMATHW-UHFFFAOYSA-N 511.534 4.404 10 10 KICE CC[C@@H](C)N1C(=O)C(=Cc2c(N3CCN(c4ccccc4)CC3)nc3ccc(C)cn3c2=O)SC1=S 2296223384 FEUPFGARLUACBZ-LJQANCHMSA-N 519.696 4.329 10 10 KICE CCCC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\c1cc(I)cc(OC)c1O 101549876 DGLJSPOUOWYBCW-YBEGLDIGSA-N 506.296 4.290 10 10 KICE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3/SC(=S)N(CC(=O)O)C3=O)c2)C1 110558667 NSBNYFOILZHHST-MMEPFNPESA-N 596.756 4.492 10 10 KICE CCCn1c(NCCc2ccc(OC)c(OC)c2)c(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)c(C)c(C#N)c1=O 143301838 HZEQWQBDJFIVTB-HAHDFKILSA-N 584.720 4.176 10 10 KICE COC(=O)[C@@H]1S[C@@]2(SC(c3ccccc3)=NC23CCCC3)[C@@H](C(=O)OC)N1c1ccc(OC)cc1 248136500 NIKSOADBIRIJQQ-QTISVLPJSA-N 512.653 4.492 10 10 KICE CC(C)[C@@H]1COc2ccccc2C(=O)NCCCCC2(CCN(Cc3cccc(F)c3O)CC2)C(=O)N1 1615123459 IUERTMRAHYHBJF-DEOSSOPVSA-N 511.638 4.247 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)/C=C/c3ccc(F)cc3)CC2)cc1 1861951113 SRFYKRHALQWYIV-ODVZWJMOSA-N 505.565 4.063 10 10 KICE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NCc1ccc(OC)cc1)[C@@H]2c1ccc(O)c(O)c1 1864017351 KGZXTYNOLXKXJM-XMMPIXPASA-N 542.592 4.009 10 10 KICE CC[C@@H](C)NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(F)cc2)[C@H]1c1ccc(O)c(O)c1 1864023484 ZKUNQWAXHBHYFB-KZULUSFZSA-N 520.483 4.110 10 10 KICE CC(=O)Nc1nc(-c2cccs2)c(CC(=O)N[C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)s1 1866631329 PKDCFLGGVHKKDI-AWEZNQCLSA-N 558.641 4.291 10 10 KICE Cc1cccc(-n2nc(C(=O)NC(C)(C)C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cc2C)c1 1866846860 DWHHBYRHTGHPRS-UHFFFAOYSA-N 506.562 4.412 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)CCCC(=O)c3ccc(Br)cc3)CC2)cc1 1868736667 ZHKQNPLRWCONRP-XMMPIXPASA-N 576.557 4.397 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)[C@@H](C)c3ccc(Br)cc3)CC2)cc1 1868841679 ZNBNBSODLODUES-MBSDFSHPSA-N 534.520 4.148 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)Cc4ccc(C)c(C)c4)n(-c4ccc(OC)cc4)n3)CC2)cc1 1869970365 OLZSCOGOFYEOLT-UHFFFAOYSA-N 526.641 4.409 10 10 KICE CCN(CC)CCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCc2ccc(OC)c(OC)c2)C1=O 1873169176 CVMOMLMVXVBSHE-UHFFFAOYSA-N 544.696 4.365 10 10 KICE CCOCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CC2CCC(C(=O)OC)CC2)C1=O 1873170325 VPBNPQPLOBXISD-UHFFFAOYSA-N 521.658 4.170 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccccc3S(C)(=O)=O)C(=O)N(Cc3ccncc3)C2=O)cc1 1873418304 BVAWDNMXXVCBSD-UHFFFAOYSA-N 526.618 4.285 10 10 KICE COc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCN3CCOCC3)C2=O)cc1OC 1873425987 QLSBUGBQQJIISU-UHFFFAOYSA-N 544.652 4.026 10 10 KICE COc1ccc(CN2C(=O)C(=Cc3c(NCc4ccco4)nc4ccccn4c3=O)SC2=S)cc1 2296709447 RALQVMBVBTYDIU-UHFFFAOYSA-N 504.593 4.310 10 10 KICE CCOC(=O)COc1c(Cl)cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1Br 2313559836 XFXBIMVQKKMNBZ-UHFFFAOYSA-N 586.620 4.473 10 10 KICE CC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1 2313681367 CMGABGCPBYXTTK-UHFFFAOYSA-N 500.943 4.179 10 10 KICE Cc1cc(/C=C2\C(=O)N(C)c3ccc(S(=O)(=O)N4CCOCC4)cc32)c(C)n1-c1ccc(N2CCCC2)c([N+](=O)[O-])c1 8778094 XPZSYROVXJLAIQ-ONUIUJJFSA-N 591.690 4.140 10 10 KICE CC(=O)Nc1ccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(c5ccco5)SC4=NC3=O)cc2)cc1 20235171 JOHDWSLFVXMXGG-JMSPFPEISA-N 515.551 4.363 10 10 KICE O=C(Cn1cc(/C=C2/C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)c2ccccc21)Nc1ccc(Cl)cc1 105029883 SVDOTJQHOWESFX-XKZIYDEJSA-N 559.003 4.463 10 10 KICE O=S(=O)(O)c1ccc(/N=N\c2ccc(/N=N\c3c(O)c(S(=O)(=O)O)cc4cc(S(=O)(=O)O)ccc34)c(S(=O)(=O)O)c2)cc1 169289739 KMNTUASVUKNVJS-RUFRKCMOSA-N 672.653 4.363 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](CSCc3ccccc3)NC(=O)c3cccc(OC)c3)CC2)cc1 1862047191 OQQZLAPCOHGXND-MHZLTWQESA-N 519.667 4.084 10 10 KICE CCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2F)[C@H]1c1ccc(O)c(O)c1 1864023194 VJZYPASAGSZOTG-GOSISDBHSA-N 520.483 4.111 10 10 KICE COc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C3CCN(C)CC3)C2=O)c([N+](=O)[O-])c1 1873427646 UJSAOVGPMCHRAR-UHFFFAOYSA-N 529.597 4.297 10 10 KICE [N-]=[N+]=NCCOCCOCCNC(=O)c1ccc(C(=O)O)c(-c2c3ccc(=N)cc-3oc3cc(N)ccc23)c1 2049382264 UEHNLQUTCVFUSP-UHFFFAOYSA-N 530.541 4.038 10 10 KICE COc1ccc(CCN2C(=O)C(=C3C(=O)N(CC(=O)NCCc4ccccc4)c4ccccc43)SC2=S)cc1 2296713698 SIBHHOZYGUZMNP-UHFFFAOYSA-N 557.697 4.215 10 10 KICE COc1ccc(-n2nc(C)c(/C=C3\C(=O)N(c4ccc(Br)cc4C)C(=O)N=C3O)c2O)cc1 38162307 FBSDPLANQBNHLE-WQRHYEAKSA-N 511.332 4.473 10 10 KICE COc1ccc(N2CCN(c3ncnc(Nc4cc(Cl)c(OC)cc4OC)c3[N+](=O)[O-])CC2)cc1 40611259 ROQUPARQLGFQQL-UHFFFAOYSA-N 500.943 4.134 10 10 KICE COc1ccc(OCCn2cc(/C=C3/C(=O)N(C)c4ccc(S(=O)(=O)N5CCOCC5)cc43)c3ccccc32)cc1 101378724 ZIWGABAHTQPUBW-TURZUDJPSA-N 573.671 4.267 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)cc1OC 254386686 PPBKMKBSRGJJCX-MUUNZHRXSA-N 575.662 4.362 10 10 KICE CCC[C@@H](NC(=O)COc1ccc(OC)cc1C(C)(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862174945 RTELIPPMFVFXRV-RUZDIDTESA-N 511.663 4.014 10 10 KICE CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@@H](C)C1)=C(N)O2 1865029391 MGUAHYMQTWEQEL-HHJKRLRDSA-N 516.642 4.494 10 10 KICE CC[C@@](C)(NC(=O)c1cc(OC)cc(OC)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867396342 MQVWYUJORIPYPR-LITSAYRRSA-N 510.679 4.012 10 10 KICE Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)NCC(=O)NC[C@@H](c4ccc(N(C)C)cc4)N4CCCCC4)cc3C2=O)c1 1867483424 RHRTZZSRMIEZAV-PMERELPUSA-N 581.717 4.243 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3ccc4c(c3)C(=O)N(CCC(C)C)C4=O)c3ccccc3)CC2)cc1 1868616557 ZFXBUAFPSKSLMJ-LJAQVGFWSA-N 568.674 4.157 10 10 KICE CCN(CC)CCN1C(=O)C(Nc2ccccc2C(=O)OC)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873425499 BHZWVYKGTCVTSM-UHFFFAOYSA-N 514.626 4.415 10 10 KICE CC(NCCN1CCN(C(=O)CC(C)C)CC1)=C1C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 2293311807 AWFWWSPHMLUVNV-UHFFFAOYSA-N 530.698 4.101 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OCc4ccccc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 252675380 TXUVSHZBIQHLDT-PMERELPUSA-N 583.710 4.452 10 10 KICE CCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2Cc2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1 1864017654 QWOIZMHGIFADTE-DEOSSOPVSA-N 526.593 4.157 10 10 KICE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)N1CCC[C@@H](C)C1)[C@H]2c1ccc(O)c(O)c1 1865034175 QXSZINUKQFIMEM-HXOBKFHXSA-N 518.614 4.333 10 10 KICE COc1ccc(N2CCN(c3nc(=NC(=O)c4ccc(F)cc4)n(-c4ccccc4Cl)[nH]3)CC2)cc1 1869969068 CCDKYZIJEYIVRI-UHFFFAOYSA-N 506.969 4.069 10 10 KICE COC(=O)Cc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C[C@H]3CCCO3)C2=O)cc1 1873419739 QYSHDJJQWSJIIU-RUZDIDTESA-N 513.594 4.181 10 10 KICE CCCCN1C(=O)C(=Cc2c(N3CCN(c4ccc(OC)cc4)CC3)nc3c(C)cccn3c2=O)SC1=S 2296540296 NTCMJKJVQOUQBY-UHFFFAOYSA-N 549.722 4.339 10 10 KICE COc1cc(C=C2SC(=S)N(CCCCCC(=O)Nc3ccc(C(=O)O)cc3)C2=O)ccc1O 2314831420 KRKYJMVSJLHRPG-UHFFFAOYSA-N 500.598 4.499 10 10 KICE CCOC(=O)c1ccc(NC(=O)[C@H](C)N2C(=O)C(=Cc3ccc(O)c(OCC)c3)SC2=S)cc1 2314836607 HLVMDPRCFUFNQW-AWEZNQCLSA-N 500.598 4.196 10 10 KICE CCOc1cc(/C=C2\C(=N)N3C(SC)=NSC3=NC2=O)ccc1OCCOc1cccc(OC)c1 96450493 HBSQZUTYPGJGAK-SCORJZKRSA-N 512.613 4.491 10 10 KICE CCOc1cc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc(Cl)c1OCc1ccc(C)cc1 101397543 KRADXFWDILFXQH-UOSKESRZSA-N 533.031 4.247 10 10 KICE CCOc1cc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)cc(Br)c1OCC(=O)N1CCCCC1 101741928 CFVNZFKWNIXNFB-QGOAFFKASA-N 571.515 4.305 10 10 KICE CC(C)COc1ccc(/C=C2/SC(N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)=NC2=O)cc1 1081082731 ISEPKDXLJPTPDB-PXLXIMEGSA-N 520.076 4.352 10 10 KICE CN(C)c1ccc(C=c2sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)cc1 1084416921 FELDJQVJDLYMHR-MHZLTWQESA-N 508.603 4.293 10 10 KICE Cc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 1084421054 LXCRSGOPFNNWKB-JAIQZWGSSA-N 509.316 4.431 10 10 KICE CC(C)NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2Cl)[C@H]1c1ccc(O)c(O)c1 1864015193 LVYFZMIVLXKFJN-MRXNPFEDSA-N 508.884 4.175 10 10 KICE CCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1F)=C(N)O2 1864018236 GKVNECLKBWSVDT-DEOSSOPVSA-N 532.547 4.194 10 10 KICE CSCC[C@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867785543 VGJYHOOJJLIXGB-LITSAYRRSA-N 596.798 4.456 10 10 KICE COc1cc(C(=O)N[C@H](Cc2ccc(OC(C)=O)cc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c([N+](=O)[O-])cc1OC 1867806455 KGKNDOQZIAMMJM-VEEOACQBSA-N 661.756 4.288 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)CCCC(=O)c3cccs3)CC2)cc1 1868736283 ZBFGWDYAZUGJRY-RUZDIDTESA-N 537.657 4.325 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCN5CCc6c(F)cccc6[C@@H]5C4)nc(C(C)C)n3)CC2)cc1 1869103117 FMUNLXSHJDEOSH-MHZLTWQESA-N 516.665 4.494 10 10 KICE COc1ccc(N2CCN(c3nc4c(C)cccn4c(=O)c3C=C3SC(=S)N(Cc4ccco4)C3=O)CC2)cc1 2296704071 NTQMJTTULTXVHI-UHFFFAOYSA-N 573.700 4.333 10 10 KICE Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(NC[C@@H](O)c3ccccc3)nc12 2296849792 UPHAYWDQYDSTEP-OAQYLSRUSA-N 572.668 4.279 10 10 KICE CCOC(=O)C1CCN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(C3CCCCC3)C2=O)CC1 33380550 CCWLENVKFFKUNY-CAPFRKAQSA-N 526.684 4.008 10 10 KICE COc1ccc(CCN2C(=O)/C(=C\c3c(N4CCCC4)nc4ccc(C)cn4c3=O)SC2=S)cc1 33473966 UEIHXYYYZJGVAR-RCCKNPSSSA-N 506.653 4.056 10 10 KICE CCCCN1C(=O)C(=C/C=C\C=C\C2C(=O)N(CCCC)C(=O)N(CCCC)C2=O)C(=O)N(CCCC)C1=O 100287590 UYFIBXZWFVQCAN-VCFJNTAESA-N 542.677 4.423 10 10 KICE CCc1cc(C)cc(OCCOc2ccc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)CC)cc2)c1 101395109 TZCAGWPPMNHORT-HTWVIFJXSA-N 526.640 4.027 10 10 KICE COC(=O)[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(OCC(=O)N3CCCCC3)c(OC)c2)SC1=S 101737254 CAVQRGLFWXLNFB-GOOXQAOHSA-N 540.663 4.202 10 10 KICE CCCOC(=O)CCN1C(=O)/C(=C\c2cc(Br)c(OCC(=O)N3CCCCC3)c(OC)c2)SC1=S 101741465 XCMCVEKOCQXROQ-XMHGGMMESA-N 585.542 4.394 10 10 KICE COc1ccc(N2CCN(C(=O)CCC[C@@H]3[C@H]4CCCN5CCC[C@@H](CN3Cc3cccnc3)[C@@H]45)CC2)cc1 257195291 VTRWWYXZFBSXLP-ZCFIMDDYSA-N 531.745 4.284 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)CCc3ccc(C)cc3)CC2)cc1 1861939485 QNMPQUZOEJIOTO-NDEPHWFRSA-N 503.618 4.152 10 10 KICE CCCC[C@H](NC(=O)/C=C/c1ccc(OCC)c(OC)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862160245 ZOZOMOYJSMTXBM-CTSIERMWSA-N 509.647 4.140 10 10 KICE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(C)cc1)=C(N)O2 1864013858 HQFGAWQYIYOFMK-DEOSSOPVSA-N 504.631 4.265 10 10 KICE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCC1)=C(N)O2 1865034921 HSOFBQJGZUIUTJ-QFIPXVFZSA-N 526.996 4.405 10 10 KICE Cc1ccc([C@@H](CC(=O)N[C@H](CO)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C2CC2)cc1C 1866723869 KPLXKBXTVVAEMX-AZGAKELHSA-N 510.590 4.078 10 10 KICE O=C(Cc1ccc(N2CCOCC2)cc1)N[C@H](Cc1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866906214 MHKXWRQLGRIWAW-SSEXGKCCSA-N 573.649 4.207 10 10 KICE Cc1ccc(C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867329769 PSYLJWLMIURUMP-LOYHVIPDSA-N 528.697 4.451 10 10 KICE CN(C)c1ccc([C@@H](CNC(=O)C(C)(C)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)N2CCCCC2)cc1 1867766068 IYTYDVABSNCMRP-HSZRJFAPSA-N 516.042 4.166 10 10 KICE CCOC(=O)[C@H]1CCCN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(Cc3ccccc3)n2)C1 1867948344 NAMCVXQXXBDOMN-DEOSSOPVSA-N 515.658 4.182 10 10 KICE COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CC(=O)N3CC(C)(C)c4ccc(Cl)cc4[C@H]3C2)n1 1869123778 XYCLFSJICGLVQC-HHHXNRCGSA-N 591.156 4.335 10 10 KICE CC(=O)NCCN1C(=O)C(Nc2ccc(N3CCCC3)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422268 OBQHQLKZACRBMA-UHFFFAOYSA-N 511.626 4.022 10 10 KICE COc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCN3CCOCC3)C2=O)cc1 1873425612 IBFMPGQPFUJAAW-UHFFFAOYSA-N 514.626 4.017 10 10 KICE COc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc(Cl)c(C(=O)O)c4)c3C)C(=O)NC2=S)cc1 2294229299 HSWIHKBEJMJBEB-UHFFFAOYSA-N 509.971 4.286 10 10 KICE CCCC[C@@H](CC)CN1C(=O)/C(=C/c2c(N3CCOCC3)nc3c(C)cccn3c2=O)SC1=S 33492722 FJJKSKWGLNSZQE-CTBJKRMSSA-N 500.690 4.257 10 10 KICE O=C1/C(=C\c2cc(Cl)cc(I)c2O)C(O)=NC(=S)N1c1ccccc1F 59135859 CLHLOJJNWSWQLT-POHAHGRESA-N 502.692 4.461 10 10 KICE CCCn1c(N2CCN(c3ccccc3F)CC2)c(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c(C)c(C#N)c1=O 110526939 NBNZNKCZABEAJN-WYRWUVFZSA-N 581.739 4.284 10 10 KICE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOCC)=C(N)O2 1864010013 HVRIQLIZCLQCFI-QFIPXVFZSA-N 527.021 4.127 10 10 KICE CCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCC1)=C(N)O2 1864019129 GRMLSQWZMSBHSB-OAQYLSRUSA-N 539.430 4.362 10 10 KICE COc1ccc(-c2nn(C)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)NCc2cccc(Cl)c2)=C(N)O3)cc1 1864021469 CCNBPGKGGVNOTN-QFIPXVFZSA-N 532.984 4.171 10 10 KICE CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1ccc(OCC)cc1 1865282778 IXKBYWGSHYGSHL-AREMUKBSSA-N 545.684 4.306 10 10 KICE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4Cc4ccc(C)cc4)[C@H]3c3ccco3)CC2)cc1 1865305780 ROZDNJHEKCJDHH-HHHXNRCGSA-N 539.636 4.193 10 10 KICE CC[C@H](NC(=O)c1ccc(-n2cccc2)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867762814 MMTSCNYYJRMVBC-NSOVKSMOSA-N 501.675 4.395 10 10 KICE CCOc1c(Br)cc(C=C2C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc1OC 2313560773 GLBWYHVFCMZAET-UHFFFAOYSA-N 524.165 4.285 10 10 KICE Cc1ccc(NC(=O)COc2ccc(Br)cc2C=C2SC(=S)N([C@@H](CCC(=O)O)C(=O)O)C2=O)cc1 2314842128 AYGZQUMAIWNLLO-KRWDZBQOSA-N 593.477 4.294 10 10 KICE CCn1c(N2CCC[C@H](C)C2)c(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)c(C)c(C#N)c1=O 110521906 ACBLFDRKUUWGDG-FHLSJSRISA-N 536.679 4.415 10 10 KICE CC1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3/SC(=S)N(CC(=O)O)C3=O)c2)CC1 110557367 SWHZQYDUHMAHNS-HZHRSRAPSA-N 582.729 4.246 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3c(OCC)ccc4ccccc34)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 254631729 XLVJIAYGWZNZAH-MUUNZHRXSA-N 541.673 4.416 10 10 KICE CCN(CC)c1ccc(CN2C[C@@H](NCc3ccc(F)c(F)c3)C[C@H]2C(=O)NCc2cccnc2)cc1 299773169 CNKZLKZZTWQRDW-CUBQBAPOSA-N 507.629 4.255 10 10 KICE CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN(CC)CC)=C(N)O2 1864010421 MWOMDHJDWUZRAL-VWLOTQADSA-N 533.673 4.169 10 10 KICE CC(C)NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)cc2)[C@H]1c1ccc(O)c(O)c1 1864015187 LRQPEYILMJTTRC-MRXNPFEDSA-N 508.884 4.175 10 10 KICE Cc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C)CC1)=C(N)O2 1865027861 MNYVVTUNFTZVLG-QFIPXVFZSA-N 539.430 4.308 10 10 KICE CCc1nn(C)c2c1[C@H](c1ccc(Cl)cc1Cl)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865181163 TUGQIVDKEQQNRM-QFIPXVFZSA-N 542.467 4.341 10 10 KICE COCCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCNC(=O)[C@H]2c2ccc(F)cc2)n1 1868254661 XKARGMPPIHPKCU-MUUNZHRXSA-N 551.578 4.001 10 10 KICE CCCC[C@@H](NC(=O)[C@@H](Cc1ccccn1)c1ccccc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868663928 LMNIOBVZQAIPKH-URLMMPGGSA-N 514.670 4.440 10 10 KICE CC[C@H](NC(=O)CCc1nc(-c2ccc(F)cc2)cs1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868916261 GMRPBQDLMDVLRZ-QHCPKHFHSA-N 510.635 4.134 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCC[C@H]4C(=O)NC4CCCCC4)nc(C(C)C)n3)CC2)cc1 1869082657 HNQXRPNVHARXEE-VWLOTQADSA-N 506.695 4.353 10 10 KICE COCCOC(=O)c1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCN(C)C)C2=O)cc1 1873421471 ZTKBTCBCHZQREU-UHFFFAOYSA-N 544.652 4.041 10 10 KICE COCCOC(=O)c1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C3CCN(C)CC3)C2=O)cc1 1873427707 XKRZJIKJXWLVHF-UHFFFAOYSA-N 556.663 4.184 10 10 KICE CCNC(=O)c1nn(Cc2cccc(C(F)(F)F)c2O)c(C(F)(F)F)c1I 2079214266 BAAJMUPWZQSNHZ-UHFFFAOYSA-N 507.172 4.029 10 10 KICE COc1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)ccc1OCCOc1ccc(Cl)c(C)c1 2296601215 KBALPLIRWLOKDC-UHFFFAOYSA-N 510.930 4.370 10 10 KICE CCCCCCN1C(=O)C(=Cc2c(N3CCC(C(=O)OCC)CC3)nc3ccccn3c2=O)SC1=S 2297460235 OYXOGHPMHBJTHF-UHFFFAOYSA-N 528.700 4.256 10 10 KICE O=C(CCN1C(=O)C(=Cc2ccc(Br)cc2)SC1=S)Nc1ccc(O)c(C(=O)O)c1 2297477420 FDPTVQBQJFRKTO-UHFFFAOYSA-N 507.387 4.083 10 10 KICE CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)ccc1OCC(=O)N(CC)CC 2314769045 QWFZTMNZNDBPFJ-UHFFFAOYSA-N 527.668 4.187 10 10 KICE Cc1ccc(CNC(=O)[C@H](CC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)c(O)c1Br 2352644039 VTYMQYAKLPWUKF-SFHVURJKSA-N 521.408 4.106 10 10 KICE O=C(NC(=S)NCCC1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)C(=O)c1ccccc1C2=O 13734750 VHDFFGGLZGBTQV-UHFFFAOYSA-N 511.647 4.369 10 10 KICE Cc1ccc2nc(NCc3ccco3)c(/C=C3/SC(=S)N(CCCCCC(=O)O)C3=O)c(=O)n2c1 33597356 HLAOUQAQTYIYEI-LDADJPATSA-N 512.613 4.054 10 10 KICE CCCCn1c(NCc2ccc(OC)cc2)c(/C=C2\SC(=S)N(CCOC)C2=O)c(C)c(C#N)c1=O 40067005 SELRMZNCPCFWST-HMAPJEAMSA-N 526.684 4.297 10 10 KICE COCCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@H]1c1ccc(O)c(O)c1 1864014214 PMJTUQMUXLYDGN-HSZRJFAPSA-N 547.011 4.451 10 10 KICE Cc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@H](C)C1)=C(N)O2 1865027322 GQPCCDRVYMIXJY-NPGVVQFXSA-N 509.006 4.444 10 10 KICE C[C@H](C(=O)Nc1ccc(N)cc1)N1C(=O)c2c(I)c(I)c(I)c(I)c2C1=O 1865889929 ROYVXGSPYNRETP-ZCFIWIBFSA-N 812.909 4.310 10 10 KICE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCCNC(=O)OCC1c2ccccc2-c2ccccc21 2022906340 QAJHPRZPTLMIAC-VWLOTQADSA-N 561.635 4.189 10 10 KICE CC(C)OCCCNc1nc2ccccn2c(=O)c1C=C1SC(=S)N(Cc2ccc(F)cc2)C1=O 2296731263 KAHDKLHFNRYPIR-UHFFFAOYSA-N 512.632 4.462 10 10 KICE CCCOc1c(I)cc(I)cc1C=C1C(=O)NC(=O)N(c2ccc(OC)cc2)C1=O 2313548300 RLFSNCHACPYBGS-UHFFFAOYSA-N 632.192 4.360 10 10 KICE CC[C@H](Oc1ccc(C=C2SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)cc1)C(=O)O 2314929315 KZAILLHZTWOIDN-INIZCTEOSA-N 521.414 4.237 10 10 KICE COc1ccc(CCN2C(=O)/C(=C3\C(=O)N(CC(=O)NCCc4ccccc4)c4ccccc43)SC2=S)cc1OC 102840692 KOZJGVVZCIAOEU-BYYHNAKLSA-N 587.723 4.223 10 10 KICE COc1ccccc1[C@@H]1N[C@](Cc2c[nH]c3ccccc23)(C(=O)O)[C@H]2C(=O)N(Cc3ccc4c(c3)C(=O)c3ccccc3C4=O)C(=O)[C@@H]21 150657059 FJMDFHMPEBJPSB-YZHSPQTCSA-N 639.664 4.464 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])c3ccccc3)CC2)cc1 1862292718 QTXUPCHFDNIMEM-XMMPIXPASA-N 508.962 4.077 10 10 KICE COc1ccc([C@H](C)NC(=O)C2=C(N)Oc3c(c(C)nn3-c3ccccc3)[C@H]2c2ccc(O)c(O)c2)cc1OC 1864007547 PFBPYXPPQXPLSD-YHAMSUFESA-N 542.592 4.181 10 10 KICE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cccs1)=C(N)O2 1864012220 UTOOBJZPEXMBNK-HSZRJFAPSA-N 537.041 4.419 10 10 KICE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H]1CCCO1)=C(N)O2 1864017411 LOVWHTASLCAPER-YCRPNKLZSA-N 545.423 4.143 10 10 KICE CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1cc(Cl)ccc1O 1865213198 ZNADCWMCJXQFHV-DEOSSOPVSA-N 538.048 4.013 10 10 KICE CCCc1nn(CC)c2c1[C@@H](c1ccc(F)cc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865517983 NYCRCGFIPBZPFO-XMMPIXPASA-N 519.621 4.047 10 10 KICE CCOC(=O)Oc1ccc(C(=O)N[C@H](CCSC)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867303810 QKRBQHOIVNTTSY-SXOMAYOGSA-N 570.756 4.483 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)CCc3csc(-c4ccccc4)n3)CC2)cc1 1868900343 QXDXFWPCBDVIAF-VWLOTQADSA-N 538.739 4.338 10 10 KICE CCCCCCN=c1nc(Nc2ccc(N(C)C)cc2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871696083 JITGWKJDDDQOKF-UHFFFAOYSA-N 504.683 4.431 10 10 KICE COc1ccc(N2CCN(CCC(=O)c3cccc(OC(=O)Cc4ccc(OC)c(OC)c4)c3)CC2)cc1 1874729307 OOGZDYUXWHCILX-UHFFFAOYSA-N 518.610 4.256 10 10 KICE C[C@H]1CN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(CCCc3ccccc3)C2=O)C[C@@H](C)O1 2297461533 BRZMSSACCZRKAM-KDURUIRLSA-N 520.680 4.142 10 10 KICE CCOC(=O)[C@@H](c1ccccc1)N1C(=O)C(=C2C(=O)N(C)c3ccc(Br)cc32)SC1=S 2314768971 MUUPEVCYFMGJJP-QGZVFWFLSA-N 517.426 4.301 10 10 KICE COc1ccc([C@H]2[C@H](C(=O)N3CCN(c4ccc(OC)cc4)CC3)CC(=O)N2c2ccc(OC)cc2)cc1 4761085 PTGJENBUJKIRDF-PXJZQJOASA-N 515.610 4.155 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4cccc(C(=O)OC)c4)c3C)c(=O)n2[C@H]1c1ccccc1OC 254443106 LHSFACLXDMIUHY-NDEPHWFRSA-N 585.682 4.001 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)COc3c(C)ccc(C)c3C)c3ccccc3)CC2)cc1 1862201276 ZJUMZVRBCYCGAF-NDEPHWFRSA-N 501.627 4.206 10 10 KICE Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC(C)C)=C(N)O2 1864007937 XUEULKFOPBTMNY-OAQYLSRUSA-N 533.412 4.135 10 10 KICE CCCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccnc1)=C(N)O2 1864013145 QWVQNDCXLQBXST-XMMPIXPASA-N 546.027 4.355 10 10 KICE Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)NCCC(C)C)[C@@H]3c2ccc(O)c(O)c2)cc1 1864015195 LWMOTMPUKRUUPC-LJQANCHMSA-N 516.520 4.468 10 10 KICE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CCc1ccncc1)=C(N)O2 1865030091 CAJSDJZILSHEFS-XMMPIXPASA-N 519.646 4.084 10 10 KICE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)cc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865117845 LEVDVRIJWPAPEW-SANMLTNESA-N 545.684 4.249 10 10 KICE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4-c4ccccc4Cl)[C@H]3c3ccco3)CC2)cc1 1865303660 NKNMORPBQVDUFI-RUZDIDTESA-N 546.027 4.479 10 10 KICE CCc1nn(CC(C)C)c2c1[C@@H](c1cccs1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865331193 DBROARONVYPTQO-XMMPIXPASA-N 521.687 4.215 10 10 KICE Cc1nc(CC(=O)N[C@@H](CSCc2ccccc2)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)co1 1867226425 QSEFVTKARTZPRB-VWLOTQADSA-N 539.613 4.358 10 10 KICE COc1ccc(N2CCN(c3cc(N(C(=O)OC(C)(C)C)C4CCNCC4)nc(C(C)C)n3)CC2)cc1 1867951050 VHPXFQJYDIMFEO-UHFFFAOYSA-N 510.683 4.429 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)c3nc(C(F)(F)F)n4ccccc34)CC2)cc1 1869068045 BGJWWFIRPDUDII-QHCPKHFHSA-N 551.569 4.052 10 10 KICE CCOC(=O)c1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCN3CCOCC3)C2=O)c1 1873426231 XOAHCHJQOQMFNS-UHFFFAOYSA-N 556.663 4.185 10 10 KICE COc1ccc(N2C(=O)C(=Cc3ccc(OC)c(COc4ccc(NC(C)=O)cc4)c3)C(=O)NC2=S)cc1 2295924253 JOLLOCWCPNXPBZ-UHFFFAOYSA-N 531.590 4.073 10 10 KICE Cc1cccn2c(=O)c(C=C3SC(=S)N(C4CCCC4)C3=O)c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)nc12 2314399330 OXCPANGXYFAXFB-UHFFFAOYSA-N 589.743 4.198 10 10 KICE O=S(=O)(c1ccc([C@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@H]32)cc1)N1CCOCC1 32192969 QMUANPPAJBPXTK-NNMXDRDESA-N 522.408 4.139 10 10 KICE COc1ccc(N2CCN(c3ccnc(SCC(=O)Nc4ccc(OC)c(Cl)c4)n3)CC2)cc1 33309942 DDNFCQWKIYVFJQ-UHFFFAOYSA-N 500.024 4.205 10 10 KICE COc1ccc(-c2nn(C)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)NCCCCc2ccccc2)=C(N)O3)cc1 1864022713 QCIGUVBVOALQDQ-VWLOTQADSA-N 540.620 4.341 10 10 KICE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)N2CCC[C@@H](C)C2)[C@H]3c2ccc(O)c(O)c2)cc1 1865031194 BDDPSFPTRXUWCT-VLIAUNLRSA-N 544.530 4.264 10 10 KICE COc1ccc(C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1OC 1867314599 YTGPSGJUJWPHRP-FQLXRVMXSA-N 574.722 4.160 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3cc(-c4cc(F)ccc4F)n(C)n3)c3ccccc3)CC2)cc1 1868940252 FLOYCPHCVYDXQK-NDEPHWFRSA-N 545.590 4.194 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)CCCc3cccc(Cl)c3)CC2)cc1 1868953480 DICRFHOBASFGAS-XMMPIXPASA-N 504.096 4.258 10 10 KICE CCN(CC)CCn1cc(OCc2ccc(F)cc2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870624485 CJNTUVPQXQKSNW-UHFFFAOYSA-N 522.665 4.239 10 10 KICE COc1ccc(N2CCN(c3nc(=NCc4ccccc4Cl)[nH]c(=Nc4ccccc4C)[nH]3)CC2)cc1 1871481786 KKQCRDMNAHLHJU-UHFFFAOYSA-N 516.049 4.368 10 10 KICE COc1ccc(N2CCN(c3nc(=NC[C@H]4CCCO4)nc(Nc4ccc(C(C)C)cc4)[nH]3)CC2)cc1 1871503800 HWWYIUAFOOGZKS-RUZDIDTESA-N 503.651 4.087 10 10 KICE COc1ccc(N2CCN(S(=O)(=O)c3ccc(OCC(=O)Nc4ccc5ccccc5c4)cc3)CC2)cc1 1872722553 FDWIXNBHTXEUSO-UHFFFAOYSA-N 531.634 4.377 10 10 KICE CCOc1ccccc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCN2CCOCC2)C1=O 1873425595 HFNPKJUXIDLGDX-UHFFFAOYSA-N 528.653 4.407 10 10 KICE CCOCCCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3ccc(C)c(C)c3)c3ccccc32)SC1=S 2296712165 FZFYOPQCWBMGNC-UHFFFAOYSA-N 509.653 4.287 10 10 KICE COc1ccc(N2CCN(C(=O)CNC(=O)C=Cc3ccc(OCc4ccccc4Cl)cc3)CC2)cc1 2330366965 DRSLZEVBHUYNEA-UHFFFAOYSA-N 520.029 4.406 10 10 KICE CCCCn1c(N2CCOCC2)c(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c(C)c(C#N)c1=O 39990300 DLHDTGVICNHPIT-JCMHNJIXSA-N 508.669 4.067 10 10 KICE CCCC[C@H](CC)CN1C(=O)/C(=C\c2c(N3CCN(C(=O)OCC)CC3)nc3ccccn3c2=O)SC1=S 100849790 VWEQLHWJIPBVTF-MXTRNAPSSA-N 557.742 4.391 10 10 KICE COc1ccc(N2CCN(C(=O)CSc3nc(Cl)cc(N4CCN(C(=O)c5ccc(C)cc5)[C@H](C)C4)n3)CC2)cc1 102193965 GZVMBTFEWGCWTH-JOCHJYFZSA-N 595.169 4.239 10 10 KICE O=C(O)C[C@]1(C(=O)O)N[C@H](c2ccc(/C=C/c3ccccc3)cc2)[C@@H]2C(=O)N(Cc3ccc4c(c3)C(=O)c3ccccc3C4=O)C(=O)[C@@H]21 247451316 ZYANPVOTPCBXTC-UWTVAIKKSA-N 640.648 4.376 10 10 KICE COc1ccc(C2=C(O)C(=O)N(c3ccccc3N3CCOCC3)[C@H]2c2ccc(O)c(O)c2)cc1OC 526500254 IOTWUYOEFWMTCL-SANMLTNESA-N 504.539 4.009 10 10 KICE CCOC(=O)c1sc(NC(=O)C(=O)Nc2sc(C)c(-c3ccccc3)c2C(=O)OCC)nc1C 1860766396 XKSFEVNNZRBWQS-UHFFFAOYSA-N 501.586 4.419 10 10 KICE CCOc1ccc(/C=C/C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1862159028 RMSWOKYOGHHEBY-RZRGDOCTSA-N 513.638 4.183 10 10 KICE CCCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccnc1)=C(N)O2 1864013144 QWVQNDCXLQBXST-DEOSSOPVSA-N 546.027 4.355 10 10 KICE CC[C@](C)(NC(=O)c1ccc2c(c1)C(=O)N(C(C)(C)C)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867513668 TVYNNMSSQZSWMX-CMVGPNDKSA-N 575.754 4.389 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCN(C(=O)OC(C)(C)C)CC4)nc(C(C)(C)C)n3)CC2)cc1 1867965562 FHVZUGDYTIYYBX-UHFFFAOYSA-N 510.683 4.166 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3cnc[nH]3)C(=O)N(C3CCN(Cc4ccccc4)CC3)C2=O)cc1 1873168979 SPCCZSAGWHCODZ-UHFFFAOYSA-N 548.691 4.394 10 10 KICE CCCCn1c(C(=O)NCCCOC(C)C)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873581742 ZEWDHHHBJPNJKB-UHFFFAOYSA-N 508.667 4.112 10 10 KICE CC(C)OCCCNc1nc2ccccn2c(=O)c1C=C1SC(=S)N(CCc2ccccc2)C1=O 2296731279 LBIQKEZSYWRGBC-UHFFFAOYSA-N 508.669 4.365 10 10 KICE Cc1ccc(C)c(OCCOc2ccc(C=C3C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2Cl)c1 2297345373 QQIGGVOVDQGGLC-UHFFFAOYSA-N 533.031 4.036 10 10 KICE CCCCCCN1C(=O)C(=Cc2c(N3C[C@H](C)O[C@H](C)C3)nc3ccc(C)cn3c2=O)SC1=S 2314400456 MYCYEYDLBIEKAA-HDICACEKSA-N 500.690 4.398 10 10 KICE CCOc1cc(C=C2SC(=S)N([C@H](CCC(N)=O)C(=O)O)C2=O)ccc1OCc1ccc(Cl)cc1 2314541633 PGFGMKMACXOTML-QGZVFWFLSA-N 535.043 4.238 10 10 KICE CCOC(=O)c1ccc(NC(=O)[C@@H](C)N2C(=O)C(=Cc3ccc(OC)c(OC)c3)SC2=S)cc1 2314837439 SGLBUDCBAAFNRA-CQSZACIVSA-N 500.598 4.109 10 10 KICE Cc1c(N2C(=O)/C(=C\c3c(NC[C@@H](O)c4ccccc4)nc4ccccn4c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C 101012808 XMBQQAMYEYVJRM-WDRHXJDGSA-N 610.721 4.044 10 10 KICE Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)N(Cc3ccc(C)o3)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 101267001 AQBDBGYWGUMEFX-IDCRMVTHSA-N 532.709 4.094 10 10 KICE CCc1ccc(OCCOc2ccc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)CC)cc2Cl)cc1 101395758 WHNSHRZUVAYLFZ-MFTVFGMVSA-N 547.058 4.372 10 10 KICE CC1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)[C@@H]1C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1 198686329 SSEDEHZVBQTFEO-VWLOTQADSA-N 506.628 4.236 10 10 KICE CCCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@H](C)C1)=C(N)O2 1865029392 MGUAHYMQTWEQEL-MHPIHPPYSA-N 516.642 4.494 10 10 KICE CCCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](C)C1)=C(N)O2 1865030870 SZVXROFZZKVSOK-BXKMTCNYSA-N 520.605 4.387 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCc3nc4ccccc4[nH]3)C(=O)N(Cc3ccccn3)C2=O)cc1 1873169060 XAAXQJLSISBVSZ-UHFFFAOYSA-N 502.578 4.435 10 10 KICE COc1ccc(N2CCN(CCC(=O)c3ccc(NC(=O)c4cc(OC)cc(OC)c4)cc3)CC2)cc1 1874750344 CDIKWGZTXAATFN-UHFFFAOYSA-N 503.599 4.360 10 10 KICE COc1ccccc1NC(=O)COc1c(I)cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1OC 2297505623 RRHUEDOLUHRXEB-UHFFFAOYSA-N 641.418 4.301 10 10 KICE NS(=O)(=O)c1ccc(CCN2C(=O)C(=Cc3cccc(OCc4ccccc4)c3)SC2=S)cc1 2323840650 DXPIPSJORIFZGT-UHFFFAOYSA-N 510.662 4.357 10 10 KICE CCOc1c(C)cc(S(=O)(=O)NC[C@H](c2ccco2)N2CCN(c3ccc(OC)cc3)CC2)cc1C 38619495 MQGLTNWHZJJSHX-RUZDIDTESA-N 513.660 4.146 10 10 KICE CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3cc(Cl)c(OCc4ccccc4F)c(OC)c3)C(=O)N=C2S1 101398602 RILGGLRXWCDYRX-SIJPIJEQSA-N 536.994 4.078 10 10 KICE CCN1C(=O)/C(=C/c2cc(I)cc(I)c2OC)SC1=S 102656045 IJRAOUPDQLYFDA-YHYXMXQVSA-N 531.178 4.126 10 10 KICE CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 1084639687 PTIGSHLUUQWACS-GDLZYMKVSA-N 569.683 4.019 10 10 KICE Cc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCc3ccccc31)=C(N)O2 1865026616 QHKJDICYBILOGE-AREMUKBSSA-N 526.568 4.464 10 10 KICE CCCc1nn(CCC)c2c1[C@H](c1cccs1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865324748 IBMJWECXFSAKHH-DEOSSOPVSA-N 521.687 4.359 10 10 KICE CN(C)c1ccc([C@H](CNC(=O)c2c[nH]c3ccc(OC(F)(F)F)cc3c2=O)N2CCCCC2)cc1 1866462314 FIOIJHZLLZYOTK-QHCPKHFHSA-N 502.537 4.450 10 10 KICE CC(C)c1ccc([C@H](C(=O)N[C@@H](CO)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C(C)C)cc1 1866960335 FOKOOKZZHINWPU-IZZNHLLZSA-N 512.606 4.441 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)CCc3csc(-c4ccccn4)n3)CC2)cc1 1868908715 PVZBYWXFSYOUHI-MUUNZHRXSA-N 555.704 4.223 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCC(c5ncncn5)CC4)nc(-c4ccc(F)cc4)n3)CC2)cc1 1869279643 NSIKUUZOIRNLEB-UHFFFAOYSA-N 526.620 4.187 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(NC(=O)C(C)C)cc3)C(=O)N(CCN(C)C)C2=O)cc1 1873421302 QJDYJRDLQSAGMS-UHFFFAOYSA-N 513.642 4.442 10 10 KICE COc1ccc(N2CCN(C(=O)c3cc4c(NCc5ccco5)ncnc4n3Cc3ccco3)CC2)cc1 1875234656 UZFZVGCZHVIZPJ-UHFFFAOYSA-N 512.570 4.249 10 10 KICE COC(=O)c1ccc(C(=O)OC)c(NC(C)=C2C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)c1 2313683008 PMJMSCJUAKTIGV-UHFFFAOYSA-N 514.494 4.305 10 10 KICE O=C1/C(=C\c2c(N3CCC4(CC3)OCCO4)nc3ccccn3c2=O)SC(=S)N1Cc1ccccc1Cl 100920215 PNPYCDYKVWTRNB-HMMYKYKNSA-N 555.081 4.093 10 10 KICE COc1cccc2nc(N/C=C3/C(=O)NC(=O)N(c4ccc(Br)c(C)c4C)C3=O)sc12 101122974 FCWCXPNXQSFGSC-XFXZXTDPSA-N 501.362 4.263 10 10 KICE COc1ccc(/C=C2/SC(=S)N(CCCC(=O)NCCc3ccc(OC)c(OC)c3)C2=O)cc1 102429382 YPMJUHZNLIGRHP-CJLVFECKSA-N 500.642 4.053 10 10 KICE COc1ccc(CCN2C(=O)/C(=C/c3c(NC[C@H]4CCCO4)nc4c(C)cccn4c3=O)SC2=S)cc1OC 105757428 IHEONEFCUFKFHC-IQJJTXKVSA-N 566.705 4.055 10 10 KICE COc1cc(/C=C2/SC(=S)N(CC(=O)Nc3nnc(C)s3)C2=O)ccc1OC1CCCCC1 211939903 OGSKNUOHNVOBAD-WOJGMQOQSA-N 504.659 4.407 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 254883470 HMNHLAZYEXFZON-MHZLTWQESA-N 572.643 4.341 10 10 KICE COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1OCC(=O)Nc1ccc(F)cc1 1083973874 UBBHGSUDGBMYAP-LSCVHKIXSA-N 612.364 4.009 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)cc1 1084287767 CUSMOROJVHQOOO-HHHXNRCGSA-N 545.636 4.354 10 10 KICE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccs1)=C(N)O2 1864007160 HCKIZASIEMUJMZ-NRFANRHFSA-N 508.987 4.318 10 10 KICE CCOCCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1 1864014040 LXAPGBONHYZLHJ-RUZDIDTESA-N 540.620 4.496 10 10 KICE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1ccc(Cl)cc1)[C@H]2c1ccc(O)c(O)c1 1864023246 WIJQHZFIMIBPBZ-KRWDZBQOSA-N 522.911 4.388 10 10 KICE CC[C@@](C)(NC(=O)c1ccc([N+](=O)[O-])c(C)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867872427 BWHHAPTXQSVVQD-LEAFIULHSA-N 509.651 4.211 10 10 KICE CCCC[C@H](NC(=O)[C@@H](Cc1ccccn1)c1ccccc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868663929 LMNIOBVZQAIPKH-VMPREFPWSA-N 514.670 4.440 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)CCCC(=O)c3cccs3)CC2)cc1 1868736284 ZBFGWDYAZUGJRY-VWLOTQADSA-N 537.657 4.325 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)C[C@@H](C)c3cccc(OC)c3)CC2)cc1 1868939300 CNQOMIPBIMSOHL-RNWIMVQKSA-N 515.654 4.274 10 10 KICE NC(=O)COc1cn(C[C@@H](O)c2ccc(Cl)cc2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871118263 IFIKNZVOCRYKDC-AREMUKBSSA-N 519.001 4.455 10 10 KICE COc1ccc(N2CCN(c3nc(=NCc4cccnc4)nc(Nc4ccc(Cl)cc4C)[nH]3)CC2)cc1 1871569479 PDRNIPMNTBJYIM-UHFFFAOYSA-N 517.037 4.341 10 10 KICE CCOc1cc(C=C2C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1OCCOc1ccc([N+](=O)[O-])cc1 2293104162 JFZSQRCHYJVIAH-UHFFFAOYSA-N 531.521 4.426 10 10 KICE C[C@H]1Cc2cc(-c3nn(-c4ccccc4)cc3C=C3SC(=S)N([C@@H]4CCS(=O)(=O)C4)C3=O)ccc2O1 2296541907 IKDALLQSFLPWAU-HRAATJIYSA-N 537.688 4.251 10 10 KICE O=C(O)CCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)SC1=S 2296720299 LQLWOGMKRYFJFA-UHFFFAOYSA-N 507.593 4.377 10 10 KICE COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3Br)C2=O)cc(OC)c1OC 34720742 NGQOWFBOYQKQRE-MHWRWJLKSA-N 509.403 4.021 10 10 KICE COc1cc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc(Br)c1OCc1ccc(Cl)cc1 102467806 WZFFUWUOGLRNRZ-KHHNAJNHSA-N 583.873 4.311 10 10 KICE Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1/C=C1/C(=O)NC(=O)N(c2cccc3ccccc23)C1=O 1083911183 HEZBUGJKROVHMS-MOSHPQCFSA-N 526.465 4.125 10 10 KICE COc1cc(/C=C2/SC(=S)N(Cc3ccc(S(N)(=O)=O)cc3)C2=O)ccc1OCc1ccccc1 1858588393 CRUVCWSNXGCPQG-OEAKJJBVSA-N 526.661 4.323 10 10 KICE Cc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cccs1)=C(N)O2 1864008210 FXXKZYRJKXJRIY-JOCHJYFZSA-N 523.014 4.360 10 10 KICE Cc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1)=C(N)O2 1864011977 OGGSNULMOWLMTE-XMMPIXPASA-N 516.985 4.315 10 10 KICE CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(F)cc1)=C(N)O2 1864018229 GEDHEBDMBYPUGM-VWLOTQADSA-N 546.574 4.237 10 10 KICE CN(C)[C@@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1 1866705330 VARPTJFGBLLJHL-LMSSTIIKSA-N 547.611 4.137 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)CCCOc4cccc(C)c4)n(C(C)(C)C)n3)CC2)cc1 1869970472 KCCJOEJFENPKRG-UHFFFAOYSA-N 506.651 4.474 10 10 KICE O=C1NC(=O)N(c2cccc(Br)c2)C(=O)C1=Cc1cc(Br)c(O)c(I)c1 2294134016 PNSZPAVXPNVVQK-UHFFFAOYSA-N 591.981 4.188 10 10 KICE CCOc1cc(C=C2SC(=S)N(CC(=O)O)C2=O)ccc1OCC(=O)Nc1cccc(SC)c1 2297577662 MQZABCREJJWVEH-UHFFFAOYSA-N 518.638 4.111 10 10 KICE COc1cc(C=C2SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)ccc1OCC(=O)N1CCCCC1 2314764430 BZYAJGXIBMKOMJ-UHFFFAOYSA-N 546.070 4.286 10 10 KICE CCCCn1c(N2CCCCC2)c(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c(C)c(C#N)c1=O 39990336 WUXAAZMJXWWJEV-MKYLKIGJSA-N 500.690 4.199 10 10 KICE CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 100526641 GYFZJOGOXXZNFX-OCEWKHMESA-N 558.616 4.033 10 10 KICE C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3\SC(N4CCC(C(N)=O)CC4)=NC3=O)c2)C1 101014246 ZQUSOGAKBSXZNZ-WNBVSAIMSA-N 632.812 4.374 10 10 KICE O=C1NN(c2ccc(I)cc2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 102779171 RTMYWHSLMJGXTJ-MHWRWJLKSA-N 534.693 4.364 10 10 KICE COc1cc(/C=C2\C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)ccc1O[C@@H](C)c1ccccc1 103570800 XXRKKCFCSOEUOG-OHRCVCCMSA-N 517.611 4.467 10 10 KICE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCCCOc4ccccc4)c(Cl)c3)C(=N)N21 104561652 SIYMTHKQQQESDL-ZCIRBWHOSA-N 533.031 4.199 10 10 KICE COc1ccc(OC)c(/C=C/C(=O)N2CCC(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)CC2)c1 1860601741 VNMFTPGZFVQATG-KPKJPENVSA-N 524.573 4.370 10 10 KICE CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H]1CCCO1)=C(N)O2 1864013829 HAWAIHSDHZPZOB-RXFWQSSRSA-N 540.620 4.379 10 10 KICE CCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(Cc1ccccc1)Cc1ccccc1)=C(N)O2 1865033449 ZZOSPUMJXZKIFG-VWLOTQADSA-N 510.594 4.317 10 10 KICE C[C@H]1CCCN(C(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3Cc3ccc(F)cc3)[C@@H]2c2ccc(O)c(O)c2)C1 1865033643 FLVXOBLZOHHGAM-XOBRGWDASA-N 546.521 4.454 10 10 KICE O=C(CS(=O)(=O)c1cccc(Cl)c1)N[C@@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1 1866884612 RJWPUKCQPKVLMW-HHHXNRCGSA-N 573.026 4.385 10 10 KICE O=C(CC[C@@H]1CCS(=O)(=O)C1)N[C@@H](CSCc1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866927191 MCHKFLCGFBVULE-RLWLMLJZSA-N 590.723 4.034 10 10 KICE COc1ccc(N2CCN(c3nc(=NCc4ccccc4C)[nH]c(=Nc4cccc(C)c4C)[nH]3)CC2)cc1 1871591372 UDAQLVNOTHGUGU-UHFFFAOYSA-N 509.658 4.332 10 10 KICE CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(OCC)c(OCC)c3)C2=O)cc1 2297617295 SOKBVRHHLBMCNN-UHFFFAOYSA-N 503.349 4.312 10 10 KICE COCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)SC1=S 2314475978 GTLQZVJKTAWERK-PMACEKPBSA-N 598.772 4.185 10 10 KICE CCOc1cc(C=C2SC(=S)N([C@@H](CCC(N)=O)C(=O)O)C2=O)ccc1OCc1ccccc1Cl 2314541452 LZFALFIFOBMHJF-KRWDZBQOSA-N 535.043 4.238 10 10 KICE Cc1ccc(CN2C(=O)/C(=C/c3c(N4C[C@H](C)O[C@H](C)C4)nc4ccccn4c3=O)SC2=S)cc1 33469189 DZEDVTMJPUKZAM-GNHDSAMZSA-N 506.653 4.018 10 10 KICE CC(C)(C)c1ccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2)cc1 101397115 AKVMMHXFLWESAQ-BZYMUNDLSA-N 526.640 4.063 10 10 KICE COc1cc(/C=C2\C(=O)N(c3cccc(C(=O)O)c3)N=C2C)ccc1OCC(=O)N[C@H](C)c1ccccc1 101603112 BVPYLVJKFJNJCR-YNJLWJOVSA-N 513.550 4.456 10 10 KICE COc1cc(/C=C2/C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OCc1cccc(C(=O)O)c1 1084357552 BWZQECHZILDGRL-JAIQZWGSSA-N 522.966 4.457 10 10 KICE Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(CNC(=O)c3ccc(OCc4ccccc4)cc3)cc2)cc1 1858958670 GFXZDFRYZZHIKC-UHFFFAOYSA-N 531.590 4.255 10 10 KICE CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccs1)=C(N)O2 1864017295 JHQBNZJBDTXAHA-QFIPXVFZSA-N 502.596 4.227 10 10 KICE COc1cc(/C=C2\C(=O)N(Cc3ccc(C)cc3)N=C2C(F)(F)F)ccc1OCCN1CCOCC1 1865665536 YYFLAYAXTVEQEJ-QNGOZBTKSA-N 503.521 4.059 10 10 KICE CC(=O)Oc1ccc(C[C@H](NC(=O)c2cccc(Cl)n2)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 1866567752 YPDAGTQZZBIYBF-VWLOTQADSA-N 567.985 4.416 10 10 KICE COc1cccc(OC)c1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867361633 JDAKSBRJQBPCCF-NSOVKSMOSA-N 574.722 4.160 10 10 KICE CCC[C@H](NC(=O)c1cc(OC)cc(OC)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867391251 KVBXNJNSWIOGIY-RRPNLBNLSA-N 510.679 4.012 10 10 KICE CSCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccc3c(c1)OCO3)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867448620 AJROJJXDFJLLDE-IOWSJCHKSA-N 685.847 4.472 10 10 KICE CCCC[C@@H](NC(=O)CCS(=O)(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868744198 CNPRPVPSIXGLAH-HHHXNRCGSA-N 557.757 4.180 10 10 KICE COCCCN1[C@@H](C)CN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(C(C)(C)C)n2)C[C@@H]1C 1869184373 PBKKFGIMTQVEPS-GOTSBHOMSA-N 510.727 4.045 10 10 KICE COc1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCOC(C)C)C2=O)cc1OC 1873168780 JILWSERZOHXZNZ-UHFFFAOYSA-N 517.626 4.406 10 10 KICE CCOc1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCN3CCOCC3)C2=O)c1 1873425562 FUUDVBSCCLDDGK-UHFFFAOYSA-N 514.626 4.017 10 10 KICE COc1ccc(N2CCN(C(=O)c3cc4c(NCc5ccncc5)ncnc4n3Cc3ccccc3)CC2)cc1 1875216275 FMANZRCWQKIMQV-UHFFFAOYSA-N 533.636 4.458 10 10 KICE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N(OCc1ccccc1)C1CN(C(=O)OC(C)(C)C)C1 2136243573 GQGOGLWXBSYZGO-QFIPXVFZSA-N 557.644 4.113 10 10 KICE COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)ccc3OS(=O)(=O)c3ccc(C)cc3)C2=O)cc1 2313541162 XYUGDSODDSJOQQ-UHFFFAOYSA-N 571.405 4.200 10 10 KICE CCOc1ccc(-n2c(C)cc(/C=C3/C(=O)N(C)c4ccc(S(=O)(=O)N5CCOCC5)cc43)c2C)cc1 33592354 JJXIGQSXNYGJBI-YZSQISJMSA-N 521.639 4.031 10 10 KICE COCc1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(SCc2cccc(C(=O)NC3CC3)c2)n1 36061622 JPJNNQDLQRJOHS-UHFFFAOYSA-N 519.671 4.143 10 10 KICE CCCn1c(N2C[C@H](C)O[C@H](C)C2)c(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c(C)c(C#N)c1=O 39990265 NIDGNAGVLCLUEO-FTGDVKAGSA-N 512.657 4.046 10 10 KICE COc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC(C)C)ccc1OCc1ccccc1F 104562196 OJLFRVYPHMPRAJ-NIHKYSPPSA-N 530.603 4.061 10 10 KICE Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccccc1C(=O)O 1084243993 XFEGJGXVJQYUQW-UNOMPAQXSA-N 524.396 4.386 10 10 KICE Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1)=C(N)O2 1864008970 WBWQDUVOWSOSOY-HSZRJFAPSA-N 502.958 4.256 10 10 KICE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)NC2CCCCC2)[C@@H]3c2ccc(O)c(O)c2)cc1 1864015217 MNMLPWBOBLHUQF-HXUWFJFHSA-N 544.530 4.454 10 10 KICE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCC(C)C)=C(N)O2 1864018979 FWRNSBMGSLXOHX-XMMPIXPASA-N 504.631 4.379 10 10 KICE CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(CCC)nn2-c2ccc(Cl)cc2)[C@@H]1c1ccc(O)c(O)c1 1865029385 LZFKSGLJVXAWFY-QHCPKHFHSA-N 541.048 4.205 10 10 KICE O=C(Cc1ccc2c(c1)OCCO2)N[C@@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1 1866607390 WPZDYCXUKYFVID-GDLZYMKVSA-N 532.552 4.272 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)c3sc(C)nc3C(C)C)CC2)cc1 1868970173 IUOLMTGVDIGEEE-XMMPIXPASA-N 524.662 4.413 10 10 KICE COc1ccc(N2CCN(c3nc(=NCCC4=CCCCC4)nc(Nc4ccc(O)cc4)[nH]3)CC2)cc1 1871718857 NGHUXNWVPCKAHA-UHFFFAOYSA-N 501.635 4.380 10 10 KICE CCN(CC)CCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccc(OC)cc2)C1=O 1873169322 JXDZLHCJUZYOEW-UHFFFAOYSA-N 500.643 4.314 10 10 KICE CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1 2313681823 OCEGCNCDGPDIFR-UHFFFAOYSA-N 519.612 4.304 10 10 KICE CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3O)c(=O)n2[C@@H]1c1ccccc1Cl 2163911 XVSUAWIMTNWRFS-IGSWSUAKSA-N 526.058 4.004 10 10 KICE Cc1cc2c(c(O)c1-c1c(C)cc3c(c1O)C(=O)c1c(O)cccc1C3=O)C(=O)c1c(O)cccc1C2=O 4098654 VUPMYTWJSPRETC-UHFFFAOYSA-N 506.466 4.344 10 10 KICE biogenic,in-vitro O=C(O)CCCCCN1C(=O)/C(=C\c2c(N3CCN(c4ccccc4F)CC3)nc3ccccn3c2=O)SC1=S 100860370 SPFGRAJKFKURBQ-RELWKKBWSA-N 581.695 4.006 10 10 KICE CCCCN1C(=O)/C(=C\c2c(N3CCN(c4ccccc4)CC3)nc3c(C)cccn3c2=O)SC1=S 102608927 OKSPVHJOMYTHFN-RELWKKBWSA-N 519.696 4.331 10 10 KICE COc1ccc(CCN2C(=O)/C(=C/c3c(C)c(C#N)c(=O)n(C)c3N3CCN(c4ccccc4)CC3)SC2=S)cc1OC 110520095 OPHUBYSCLAEDQR-USHMODERSA-N 615.781 4.353 10 10 KICE CCCCn1c(N2CCN(c3ccccc3)CC2)c(/C=C2\SC(=S)N(CCCOC)C2=O)c(C)c(C#N)c1=O 110531122 AZMLKISHMNWOQF-PLRJNAJWSA-N 565.765 4.393 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](CSCc3ccccc3)NC(=O)Cc3ccccc3)CC2)cc1 1861961154 HRPDSGMIYNRVQE-MHZLTWQESA-N 503.668 4.005 10 10 KICE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccnc1)=C(N)O2 1864012565 DDBNQXDKYBMAFN-VWLOTQADSA-N 525.609 4.010 10 10 KICE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@H](NC(=O)[C@H]3CC(=O)N(c4ccccc4)C3)c3ccccc3)cccc21 1866871097 TZWZUUYASDFEEV-KCWXNJEJSA-N 543.579 4.311 10 10 KICE COc1cc(C(=O)N[C@@H](Cc2ccc(OC(C)=O)cc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c([N+](=O)[O-])cc1OC 1867806453 KGKNDOQZIAMMJM-IGYGKHONSA-N 661.756 4.288 10 10 KICE CC[C@](C)(NC(=O)[C@H](c1ccc(OC)c(OC)c1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868860526 QROXTTMVWWQQTE-WNJJXGMVSA-N 511.663 4.086 10 10 KICE COc1ccc(N2CCN(C(=O)CNC(=O)C[C@@H](c3ccccc3)c3ccc(OC)c(Cl)c3)CC2)cc1 1868960764 HEZDTKPLLSVZMB-VWLOTQADSA-N 522.045 4.344 10 10 KICE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccc(F)cc4)cn3C[C@@H]3CCCO3)CC2)cc1 1870623455 QCXLBVGHSLFSDT-MHZLTWQESA-N 507.606 4.076 10 10 KICE O=C(CN1C(=O)C[C@@H](N2C(=O)C(=CC=Cc3ccccc3)SC2=S)C1=O)Nc1cccc(C(F)(F)F)c1 2040480906 BYRMONTUGSKGTD-GOSISDBHSA-N 545.564 4.229 10 10 KICE COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C/c1ccc(OCC(=O)Nc2ccccc2OC)cc1 100276864 FOQAOVMUQIFVOC-PXLXIMEGSA-N 502.523 4.179 10 10 KICE COc1ccc(CN2C(=O)/C(=C3\C(=O)N(CC(=O)NCCc4ccccc4)c4ccccc43)SC2=S)cc1 102840688 SKTBCIPGMOIXEF-OCEACIFDSA-N 543.670 4.172 10 10 KICE CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C/c3ccc(OCc4ccc(C(=O)O)cc4)cc3)C2=O)c1 1084269519 AWOSFRXEBIAQHZ-HAHDFKILSA-N 530.533 4.428 10 10 KICE CC1(C)COCCC[C@@H]2CN(Cc3ccc(O)c(O)c3)CC[C@@H]2CC(=O)N(Cc2ccccc2)C[C@@H]1O 1614974552 KWARYTRRTLXNEV-SKVJQKLOSA-N 510.675 4.152 10 10 KICE CC(C)NC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(F)c2)[C@@H]1c1ccc(O)c(O)c1 1864016549 RYUAOYTZLJDRLP-QHCPKHFHSA-N 514.557 4.368 10 10 KICE CCCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2Cc2cccc(F)c2)[C@H]1c1ccc(O)c(O)c1 1864017007 CEDQMSRNJSWWTE-XMMPIXPASA-N 544.583 4.378 10 10 KICE COc1ccc(-c2nn(C)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)NCCCCc2ccccc2)=C(N)O3)cc1 1864022711 QCIGUVBVOALQDQ-RUZDIDTESA-N 540.620 4.341 10 10 KICE Cc1ccccc1COc1ccc(C=C2C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)cc1Cl 2297469236 LJSXOPULZOEUQX-UHFFFAOYSA-N 538.029 4.095 10 10 KICE Cc1cc(Br)ccc1N1C(=O)NC(=O)C(=Cc2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)C1=O 2313543629 WUGHZHMOAMGQNG-UHFFFAOYSA-N 566.364 4.228 10 10 KICE COc1cccc([C@@H]2N[C@](Cc3c[nH]c4ccccc34)(C(=O)O)[C@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@H]32)c1O 248132555 BFWFRVABJFGYNT-ZRIOWSNCSA-N 560.006 4.360 10 10 KICE Cc1ccn2c(C(=O)N3CCC(C(=O)Nc4cccc5c4C(=O)c4ccccc4C5=O)CC3)c(C)nc2c1 1860606506 HKWVBCSLCICNKX-UHFFFAOYSA-N 506.562 4.217 10 10 KICE COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCc2ccccc2Cl)[C@H]3c2ccc(O)c(O)c2)cc1 1864006960 BLBOEJHUYAHYSV-DEOSSOPVSA-N 532.984 4.265 10 10 KICE CCOCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1864011817 LNQGRUXXARHTGU-JOCHJYFZSA-N 547.439 4.195 10 10 KICE CCCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN(CC)CC)=C(N)O2 1864013249 UDBNMNVYLAONHS-SANMLTNESA-N 547.700 4.228 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)[C@H]3C[C@H]3c3ccccc3)CC2)cc1 1868901279 CLBMPAWECYOIBH-KCHLEUMXSA-N 501.602 4.014 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3cc(C4CC4)n4nc(C5CC5)cc4n3)c3ccccc3)CC2)cc1 1868983531 AFIAUQRFIUCFLY-SSEXGKCCSA-N 550.663 4.313 10 10 KICE CCOc1ccc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc1I 2313561216 ZHUMLBWBXSVNNF-UHFFFAOYSA-N 557.207 4.284 10 10 KICE CCCCCN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(C)c2N2CCN(c3ccccc3)CC2)SC1=S 33451470 CETYADFADDIMMW-HAVVHWLPSA-N 521.712 4.283 10 10 KICE Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)c(NC[C@@H]3CCCO3)nc12 33516557 GWPIZFFOERAPBY-SLOMDMAXSA-N 506.653 4.038 10 10 KICE COc1ccc(N2CCN(c3nc4ccc(C)cn4c(=O)c3/C=C3/SC(=S)N(CC(C)C)C3=O)CC2)cc1 102927275 HUJSSVLNPMLMNM-HZHRSRAPSA-N 549.722 4.195 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc(C(=O)OCC)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 254746146 KVOQYJDBUYRESZ-PMERELPUSA-N 629.735 4.400 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 1084421072 QTCGPZYQKHBJFG-SSEXGKCCSA-N 628.707 4.360 10 10 KICE Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(Cl)c1)=C(N)O2 1864007143 GRALBEYJSPLBJJ-QHCPKHFHSA-N 502.958 4.256 10 10 KICE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@H](C)C1)=C(N)O2 1865028402 UFWDUUNPASWGOQ-NPGVVQFXSA-N 509.006 4.444 10 10 KICE CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1ccc(F)cc1F 1865424389 BOLRYLISGWTNCZ-XMMPIXPASA-N 537.611 4.186 10 10 KICE CCc1ccc([C@H]2C(C(=O)N3CCN(c4ccc(OC)cc4)CC3)=C(N)Oc3c2c(CC)nn3CC)cc1 1865503062 MJZUCGPJKVBUQM-RUZDIDTESA-N 515.658 4.080 10 10 KICE CC[C@](C)(NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866604563 PPUGBGVTXSFRFA-XIFFEERXSA-N 575.577 4.388 10 10 KICE COc1ccccc1C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867913947 XDESYDMYXJODIY-FQLXRVMXSA-N 544.696 4.151 10 10 KICE COC(=O)c1ccccc1-c1ccc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3C)C2=O)o1 2297332653 SXFNRSQECIDKKC-UHFFFAOYSA-N 509.312 4.471 10 10 KICE CS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OCCOc4ccc(Cl)cc4)c(Cl)c3)C(=N)N21 2297345349 OTZRGBHMFUIKCB-UHFFFAOYSA-N 539.422 4.072 10 10 KICE CCOc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1OCc1ccc(C(=O)O)cc1 2313559146 RWQDNBDROSLKSX-UHFFFAOYSA-N 520.538 4.333 10 10 KICE CCN(CC)C(=O)COc1ccc(C=C2SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1 2323790381 XXQSPKYPAIACGC-UHFFFAOYSA-N 514.669 4.395 10 10 KICE CC(=O)Oc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccc(Br)c4)C3=O)c2C)cc1 100072252 QCPPHQSOPQALQW-WSDLNYQXSA-N 522.355 4.448 10 10 KICE COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(OCC(=O)Nc4ccccc4OC)cc3)SC2=S)cc1 108673999 AIZAMBWPBSJXPL-HZHRSRAPSA-N 549.630 4.268 10 10 KICE COc1cc(/C=C2/C(=O)NC(=O)N([C@H](C)C34CC5CC(CC(C5)C3)C4)C2=O)cc(I)c1O 109890431 ZZKCQGWFCSDDAB-SDKMYPDVSA-N 550.393 4.072 10 10 KICE Cc1c(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)c(N2C[C@H](C)C[C@@H](C)C2)n(C)c(=O)c1C#N 137682734 YXKKMKJFSUGWDZ-BIHQNDMESA-N 536.679 4.178 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)c(N(CC)CC)cc3OC)c(=O)n2[C@H]1c1cc(OC)ccc1OC 252671147 MVGGCDAOSMQIQZ-MHZLTWQESA-N 644.588 4.433 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 254844730 PBAJXZHZGLGZMY-PMERELPUSA-N 628.707 4.360 10 10 KICE CCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1 1864015144 KFADWAJNQGQMEH-IBGZPJMESA-N 516.520 4.281 10 10 KICE CCCCN(CC)C(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2CC)[C@@H]1c1ccc(O)c(O)c1 1865034423 WEJCAISXBCHQSE-QFIPXVFZSA-N 506.603 4.333 10 10 KICE CCc1nn(CC)c2c1[C@H](c1cn(C)c3ccccc13)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865363609 DMEWZOXEZXQLDH-SANMLTNESA-N 540.668 4.009 10 10 KICE CC(C)CN1C(=O)c2ccc(C(=O)N[C@H](Cc3ccc(O)cc3)C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O 1867417689 BMBBMHDMTMXBAO-SAIUNTKASA-N 639.797 4.395 10 10 KICE COc1ccc(Nc2nc(=NCc3ccccc3F)nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]2)cc1 1871562412 APEWHUCHVKDDGV-UHFFFAOYSA-N 515.593 4.132 10 10 KICE COc1ccc(N2CCN(c3nc(=NCc4cccc(C)c4)[nH]c(=Nc4cccc(Cl)c4)[nH]3)CC2)cc1 1871647980 SLQBUKDFSCCAQF-UHFFFAOYSA-N 516.049 4.368 10 10 KICE COc1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C[C@@H]3CCCO3)C2=O)cc1OC 1873169103 ZEXHCXKUPFYOHG-DEOSSOPVSA-N 515.610 4.160 10 10 KICE Cc1cc(C=C2C(=O)Nc3ccccc32)c(C)n1-c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 2042445910 GTILDKNFCKJJKO-UHFFFAOYSA-N 532.666 4.208 10 10 KICE Cc1ccc(OCCOc2ccc(C=C3C(=N)N4N=C(CC(=O)N5CCCCC5)SC4=NC3=O)cc2)cc1 2296052877 MSZRAHWWIUIJLK-UHFFFAOYSA-N 531.638 4.475 10 10 KICE CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4ccc(C(=O)OC)cc4)c3C)C2=O)c1 2313556150 OOGAHJNVMVCGHC-UHFFFAOYSA-N 531.565 4.345 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 1084497025 HSMXWDASWHMQOZ-NDEPHWFRSA-N 585.686 4.180 10 10 KICE COc1ccc(CCN2C[C@H](O)C(C)(C)COCCC[C@H]3CN(Cc4ccc(O)c(O)c4)CC[C@@H]3CC2=O)cc1 1616168172 RSBRAZVGIJLTDE-YIIWZEITSA-N 554.728 4.203 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)/C=C/c3ccccc3Cl)CC2)cc1 1862144509 HVKUUFSQUHUHDK-MTMVAVESSA-N 520.029 4.144 10 10 KICE CCCn1nc(C)c2c1OC(N)=C(C(=O)NCc1cccc(C(F)(F)F)c1)[C@H]2c1ccc(O)c(O)c1 1864010498 UUBDAIKIUQQUJL-FQEVSTJZSA-N 502.493 4.043 10 10 KICE CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)c1ccccc1)=C(N)O2 1864013609 YFYIOZUDPPBTBJ-OSPHWJPCSA-N 511.582 4.203 10 10 KICE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC(C)C)=C(N)O2 1864013645 YLEOGHCPAVOULB-QHCPKHFHSA-N 541.048 4.184 10 10 KICE C[C@@H]1CCCC[C@@H]1NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccn2)[C@@H]1c1ccc(O)c(O)c1 1864023294 XNRSDLZKTTXALD-WTANOLMUSA-N 529.519 4.087 10 10 KICE CCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1C)=C(N)O2 1865035015 JFUXUYRESZMPKV-WAIKUNEKSA-N 506.578 4.140 10 10 KICE O=C(N[C@H](Cc1ccc(F)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(C2CC2)[nH]n1 1867148683 GZCRHDARBOSHEJ-XMMPIXPASA-N 522.536 4.181 10 10 KICE CCCC[C@H](NC(=O)c1cc(-c2cccnc2)on1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867165484 ZKOWSPHGPKMSAV-QFIPXVFZSA-N 508.534 4.439 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)CSc4ccccc4)n(-c4ccccc4)n3)CC2)cc1 1869969934 AOEVQNQETFZTAM-UHFFFAOYSA-N 500.628 4.333 10 10 KICE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccccc4C)cn3CCCCCO)CC2)cc1 1870629557 MJYXLHJRZYUAIG-UHFFFAOYSA-N 505.659 4.229 10 10 KICE Cc1ccc2nc(N3CCC(C)CC3)c(C=C3SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(=O)n2c1 2296697863 UEDRBAUBGOHYTB-UHFFFAOYSA-N 534.663 4.369 10 10 KICE CCOc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc(Cl)c1OCc1cccc(C)c1 2297345305 KQPLDASZIKXPHA-UHFFFAOYSA-N 533.031 4.247 10 10 KICE CC(=O)Nc1ccc(OCCn2cc(C=C3C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)c3ccccc32)cc1 2297500214 SLIRVHJIZFACLI-UHFFFAOYSA-N 526.524 4.484 10 10 KICE CCOc1cc(C=C2SC(=S)N(CCC(=O)OC)C2=O)cc(Br)c1OCC(=O)N1CCCCC1 2314769892 WQMXRHRHMPRUOI-UHFFFAOYSA-N 571.515 4.003 10 10 KICE CCOc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC)ccc1O[C@H](C)c1ccccc1 20206483 XFFJJBCNRCARKV-ZQVYDNMNSA-N 512.613 4.237 10 10 KICE CCCC[C@@H](CC)CN1C(=O)/C(=C/c2c(N3CCC4(CC3)OCCO4)nc3ccccn3c2=O)SC1=S 110572432 KGZPVXUDPVLTHA-JUJXNAJKSA-N 542.727 4.455 10 10 KICE COc1ccc(CCNc2c(/C=C3\SC(=S)N(CCCCCC(=O)O)C3=O)c(C)c(C#N)c(=O)n2C)cc1OC 143270932 GFLFIIFSJUFABS-HAHDFKILSA-N 584.720 4.083 10 10 KICE CC(C)CCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1864014973 HICSCLWIMWEUCE-SFHVURJKSA-N 502.493 4.159 10 10 KICE CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(Cc3cccc(C)c3)CC1)=C(N)O2 1865030129 CXEOGFABEZRGKN-SANMLTNESA-N 545.684 4.004 10 10 KICE CCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@]3(C)C[C@H]1CC(C)(C)C3)=C(N)O2 1865035441 UAZRBAAQCPTCCG-WEMPGLRGSA-N 529.641 4.363 10 10 KICE CCc1nn(CC(C)C)c2c1[C@H](c1ccccc1F)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865073001 BMHHRCZZORKLOR-VWLOTQADSA-N 533.648 4.293 10 10 KICE CN(C)c1ccc([C@@H](CNC(=O)c2c[nH]c3ccc(OC(F)(F)F)cc3c2=O)N2CCCCC2)cc1 1866462313 FIOIJHZLLZYOTK-HSZRJFAPSA-N 502.537 4.450 10 10 KICE CSCC[C@@H](NC(=O)C[C@H]1CC(=O)c2ccccc21)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867242012 SPOJRMZDPXNLEZ-MZNJEOGPSA-N 526.614 4.399 10 10 KICE COCCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCO[C@@H](c3cccnc3)C2)n1 1868254280 KHBNEMGBDFBKBJ-XMMPIXPASA-N 521.577 4.157 10 10 KICE COCCN1[C@H](C)CN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(-c3ccccc3C)n2)C[C@H]1C 1869149637 UWXNGJVSJIDAIB-JWQCQUIFSA-N 530.717 4.333 10 10 KICE COc1ccc(N2CCN(S(=O)(=O)c3ccc(OCC(=O)Nc4ccc(C)c(Cl)c4)cc3)CC2)cc1 1872716991 DWQQQOZNSDQBSQ-UHFFFAOYSA-N 530.046 4.185 10 10 KICE COC(=O)c1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCc3cnc[nH]3)C2=O)c1 1873426307 STCHRAPEVVAMHI-UHFFFAOYSA-N 509.566 4.039 10 10 KICE CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)NCc4ccc5c(c4)OCO5)c4ccccc34)[C@@H]21 1873921322 HCDNWUFDHKVTAP-GDLZYMKVSA-N 508.578 4.223 10 10 KICE Cc1cc(Br)cc(C)c1NC(=O)COc1ccc(C=C2SC(=S)N(CC(=O)O)C2=O)cc1 2294650113 SACMQGBZTLZCOD-UHFFFAOYSA-N 535.441 4.369 10 10 KICE COc1ccc(CCN2C(=O)C(=Cc3c(NC(C)C)nc4c(C)cccn4c3=O)SC2=S)cc1OC 2296554978 FRHCTCQZDMXGCK-UHFFFAOYSA-N 524.668 4.284 10 10 KICE CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)N(CC)c4ccc(S(=O)(=O)N5CCOCC5)cc43)c2C)cc1 8778147 FYQKYEGKRZYUCG-IMRQLAEWSA-N 535.666 4.421 10 10 KICE O=C1c2ccccc2C(=O)c2c1ccc(C(=O)O)c2-c1c(C(=O)O)ccc2c1C(=O)c1ccccc1C2=O 17729655 VZUWPWDRIMDQDH-UHFFFAOYSA-N 502.434 4.301 10 10 KICE CCN(CC)c1ccc([C@H]2N(C(=O)CN3CCCCC3)CCCN2S(=O)(=O)c2ccc(C)cc2)cc1 59074329 ZERRSKLNMNIHMR-NDEPHWFRSA-N 512.720 4.249 10 10 KICE COCc1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(SCc2ccc(C(=O)NCc3ccccn3)o2)n1 98015175 XSBRXALPIBBXNT-UHFFFAOYSA-N 560.680 4.169 10 10 KICE CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C(=O)OCC)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 100617690 KVOQYJDBUYRESZ-UNDLXJOSSA-N 629.735 4.400 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)CCCOc3ccc(C(C)(C)C)cc3)CC2)cc1 1862220088 SSIIJPSQWDMISB-HHHXNRCGSA-N 507.675 4.492 10 10 KICE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccccc1)=C(N)O2 1864007074 FOIXUEOQWGUYOV-DEOSSOPVSA-N 516.985 4.299 10 10 KICE COc1ccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3Cc3ccccc3Cl)[C@@H]2c2ccc(O)c(O)c2)cc1 1864012249 VOHYSJWRGKBBJX-VWLOTQADSA-N 547.011 4.324 10 10 KICE COc1ccc(-c2nn(CC(C)C)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)NCc2ccncc2)=C(N)O3)cc1 1864017852 WXEPPPOJSYKCQS-DEOSSOPVSA-N 541.608 4.032 10 10 KICE CCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCc3ccccc3C1)=C(N)O2 1865033096 RODNCQDGXIRIDP-HHHXNRCGSA-N 536.632 4.493 10 10 KICE CN(CCc1cnc[nH]1)c1cc(Nc2cccc3c2C(=O)c2ccccc2C3=O)nc(-c2cccnc2)n1 1868564423 PPGMUNMOJNDPND-UHFFFAOYSA-N 501.550 4.460 10 10 KICE COCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(C)C)c2)SC1=S 2296547601 KBLBASAMYHTNFI-UHFFFAOYSA-N 542.708 4.027 10 10 KICE COc1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)ccc1OCCCOc1c(C)cccc1C 2296562012 UIMYYAMQVPCPEE-UHFFFAOYSA-N 504.539 4.415 10 10 KICE CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OCCSc4ccc(C)cc4)c(OC)c3)C(=N)N21 2297345199 BKIYZQXDUAKZOY-UHFFFAOYSA-N 544.680 4.186 10 10 KICE CCCC1=NN(c2ccc(F)cc2)C(=O)C1=CNCCN1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 2297548868 GYYSKZPQOZNGSA-UHFFFAOYSA-N 521.681 4.163 10 10 KICE Cc1ccsc1CN(C(=O)CCCN1C(=O)C(=Cc2ccccc2)SC1=S)[C@H]1CCS(=O)(=O)C1 2314600281 XCISGCMKYBOUCL-IBGZPJMESA-N 534.750 4.254 10 10 KICE C[C@H](c1ccccc1)N1C(=O)/C(=C\c2c(NCCCn3ccnc3)nc3ccccn3c2=O)SC1=S 34388316 SZTGWZPNTVDPLI-WKSXIXGESA-N 516.652 4.356 10 10 KICE CCOC(=O)c1c(CSc2ccccc2)n(C)c2cc(Br)c(O)c(CN3CCN(CCO)CC3)c12 102704504 QUGPPKZOIQJFAI-UHFFFAOYSA-N 562.530 4.225 10 10 KICE CCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2c(F)cccc2Cl)[C@@H]1c1ccc(O)c(O)c1 1864010047 NVWOPUIVCDCYRC-QFIPXVFZSA-N 514.985 4.445 10 10 KICE NC1=C(C(=O)NCc2cccs2)[C@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3ccccn3)c2O1 1864016140 IGXWFFAMGFATHZ-HSZRJFAPSA-N 537.601 4.418 10 10 KICE CCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCc1ccccc1)=C(N)O2 1864018055 BQCDJQMVPOZLIZ-VWLOTQADSA-N 525.609 4.075 10 10 KICE CCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(F)cc1)=C(N)O2 1864020488 ZYDIRWVIVXCLKG-AREMUKBSSA-N 542.611 4.406 10 10 KICE CN(C)c1ccc(C=C2SC(N3CCN(C4=NC(=O)C(=Cc5ccc(N(C)C)cc5)S4)CC3)=NC2=O)cc1 2297325608 BWWSJUPWIOCNKX-UHFFFAOYSA-N 546.722 4.077 10 10 KICE COc1cc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc(Cl)c1OCc1ccccc1Cl 2297345807 DXMLJVJICWUNJQ-UHFFFAOYSA-N 539.422 4.202 10 10 KICE CCN1C(=O)C(=C2SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)c2cc(Br)ccc21 2314764921 PDOPLKTTWYPXJK-UHFFFAOYSA-N 567.284 4.495 10 10 KICE O=C1/C(=C\c2c(N3CCN(Cc4ccccc4)CC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccc2c(c1)OCO2 100884411 GEOKHSCHUUMNRL-YZSQISJMSA-N 597.722 4.147 10 10 KICE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCCOc4ccc(Cl)c(C)c4)cc3)C(=N)N21 101395332 BZWKMAVZQKUMGC-IVTJCWFQSA-N 533.031 4.118 10 10 KICE CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 103518864 YWDHQGBKWRWAML-PQRKSKNISA-N 593.746 4.451 10 10 KICE Cc1ccc(C)c(OCCOc2ccc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)C(C)C)cc2)c1 104562960 BPUSBMCKQQREQA-RDJYZGLESA-N 526.640 4.161 10 10 KICE COc1ccc(CCN2C(=O)/C(=C/c3c(C)c(C#N)c(=O)n(C)c3N3CCC(C)CC3)SC2=S)cc1OC 110518835 CSAIFMDVBPIIAY-IWIPYMOSSA-N 552.722 4.263 10 10 KICE O=C1/C(=C\c2ccccc2)SC(=S)N1CCC(=O)N(Cc1ccc(N2CCCCC2)o1)[C@H]1CCS(=O)(=O)C1 207308001 LDEUYAKKLYJLMF-KYCFSCSMSA-N 573.762 4.077 10 10 KICE CC[C@H]([C@H](C)O)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@H]5CO[C@@](Cn6cncn6)(c6ccc(F)cc6F)C5)cc4)CC3=O)cc2)c1=O 504665242 ZZDLBPMUUVZXAY-QXBKEYRSSA-N 714.774 4.100 10 10 KICE CC(C)(C)C(=O)OC[C@@H]1O[C@@H](N=[N+]=[N-])[C@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C 616626263 ZRIINKFKQWXADE-YYWYGQEZSA-N 541.642 4.485 10 10 KICE Cc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(Cl)cc1)=C(N)O2 1864012282 WTPQIJSPVYOYFV-DEOSSOPVSA-N 534.975 4.455 10 10 KICE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC)=C(N)O2 1864017554 OVWYLHPEMGFBHC-FQEVSTJZSA-N 533.412 4.000 10 10 KICE Cc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(Cc3ccccc3)CC1)=C(N)O2 1865026293 LTKHOFJAJRBTEC-MHZLTWQESA-N 537.620 4.163 10 10 KICE NC1=C(C(=O)N2CCOCC2)[C@@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3ccc(Cl)cc3)c2O1 1865031811 ONGBKAAWVZYTJZ-QHCPKHFHSA-N 544.995 4.157 10 10 KICE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)N1CCc3ccccc3C1)[C@H]2c1ccc(O)c(O)c1 1865034035 NPILLQRMAFHMBY-VWLOTQADSA-N 538.604 4.269 10 10 KICE NC1=C(C(=O)N2CCCC2)[C@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(Cc3ccccc3Cl)c2O1 1865034486 XPUAISWVMSCYQA-GOSISDBHSA-N 534.922 4.332 10 10 KICE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4C)[C@@H]3c3c(Cl)cccc3Cl)CC2)cc1 1865175438 ZUINOCCUEPSBEO-JOCHJYFZSA-N 528.440 4.087 10 10 KICE CN(C)c1ccc([C@@H](NC(=O)c2c[nH]c3c(I)cc(Br)cc3c2=O)c2nccn2C)cc1 1866447710 PDDXWALHKPXLQO-LJQANCHMSA-N 606.262 4.214 10 10 KICE O=C(CCc1ncc2ccccn12)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866894840 MMOFRRCSLGWRID-MHZLTWQESA-N 558.594 4.114 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)[C@H]3CCCN3Cc3ccccc3F)CC2)cc1 1868817455 UNFSOKDHTNNADU-LOYHVIPDSA-N 562.661 4.014 10 10 KICE CCCCCN1C(=O)C(=Cc2c(N3CCN(c4ccccc4)CC3)nc3ccccn3c2=O)SC1=S 2296303799 HBSVJLSMSOGWSE-UHFFFAOYSA-N 519.696 4.413 10 10 KICE COc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCc1c(Cl)cccc1Cl 2297345440 WSSMWVOJZUGEKA-UHFFFAOYSA-N 539.422 4.202 10 10 KICE C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C3SC(N4C[C@H](C)O[C@H](C)C4)=NC3=O)c2)C[C@H](C)O1 2314476616 RUSYVENEAPWPLL-BJESRGMDSA-N 621.785 4.417 10 10 KICE O=C(CCCN1C(=O)C(=Cc2ccccc2OC(F)F)SC1=S)Nc1ccc(O)c(C(=O)O)c1 2314933889 DVJATCVSYJWBIE-UHFFFAOYSA-N 508.524 4.312 10 10 KICE CCOC(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccc(O)c(OC)c3)SC2=S)cc1 15039897 OOTLKYNKWRQSJV-ZHZULCJRSA-N 500.598 4.198 10 10 KICE CCCCNc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O 33352227 JBDQFJFXHIVCSX-UDWIEESQSA-N 508.625 4.345 10 10 KICE CCCCn1c(N2C[C@H](C)O[C@H](C)C2)c(/C=C2\SC(=S)N([C@H](C)CC)C2=O)c(C)c(C#N)c1=O 39991376 QUBYDFNPIHCAHP-AVBZRFJMSA-N 502.706 4.442 10 10 KICE O=C1/C(=C\c2c(NC[C@H](O)c3ccccc3)nc3ccccn3c2=O)SC(=S)N1Cc1ccccc1 102687487 XMUKLDIDKBMNQT-FNNTWHHHSA-N 514.632 4.241 10 10 KICE CCSC1=NSC2=NC(=O)/C(=C/c3ccc(OCCOc4ccccc4OC)c(OC)c3)C(=N)N12 104372425 BMQOTDZIMCUCDK-AGDGNBHRSA-N 512.613 4.491 10 10 KICE COc1cccc(Oc2cc(N)c3c(c2N)C(=O)c2c(N)cc(Oc4cccc(OC)c4)c(N)c2C3=O)c1 207382064 PUWMBRMJIBTDCB-UHFFFAOYSA-N 512.522 4.393 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(I)c(OCC)c(I)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 725441087 QNDFDSLRZAVGRC-HSZRJFAPSA-N 743.405 4.472 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 1084497024 HSMXWDASWHMQOZ-MUUNZHRXSA-N 585.686 4.180 10 10 KICE CCCn1nc(C)c2c1OC(N)=C(C(=O)N[C@@H](C)C13CC4CC(CC(C4)C1)C3)[C@H]2c1ccc(O)c(O)c1 1864010079 OUKJSWNVHIBOJA-WLKXJCLESA-N 506.647 4.428 10 10 KICE NC1=C(C(=O)NCc2ccccc2F)[C@@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3ccccn3)c2O1 1864015911 GKQHZRWUKRMXDH-VWLOTQADSA-N 549.562 4.496 10 10 KICE CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCc1ccccc1)=C(N)O2 1864018843 RWRXYDILYLRYGH-SANMLTNESA-N 542.611 4.488 10 10 KICE CC[C@](C)(NC(=O)c1cc(OC)c(OC)c(OC)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867342468 GIIWRXAODBLSCU-HLADLETHSA-N 540.705 4.020 10 10 KICE CC[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867883164 QILYVJYWHGVXRJ-UPVQGACJSA-N 516.042 4.166 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)C[C@H](C)c3cccc(OC)c3)CC2)cc1 1868939299 CNQOMIPBIMSOHL-MUAVYFROSA-N 515.654 4.274 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)/C=C/c4cccs4)n(-c4ccc(OC)cc4)n3)CC2)cc1 1869970726 WEXKTABTSSCXAC-BUHFOSPRSA-N 516.627 4.325 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc4c(c3)OCCO4)C(=O)N(CCCN(C)C)C2=O)cc1 1873421239 NHVHSQAYRVXAQG-UHFFFAOYSA-N 500.599 4.009 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)CCc3ccccc3)CC2)cc1 1874642428 DNDVQWSCKFCQDN-GDLZYMKVSA-N 510.638 4.185 10 10 KICE C/C=C\C(=O)N1c2ccc(OC)cc2C(=C2SC(C(=O)OC)=C(C(=O)OC)S2)C(=S)C1(C)C 33926983 VHYIRJKTAOFMQU-FPLPWBNLSA-N 505.639 4.473 10 10 KICE Cc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(N(C)C)cc4)N[C@@](Cc4ccc([N+](=O)[O-])cc4)(C(=O)O)[C@@H]3C2=O)cc1Cl 106553172 LPGSDSYZOYJGBN-VVEDBRRQSA-N 563.010 4.139 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)c(O)c(Br)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 1084350464 BAXKGEATTZQRSU-NRFANRHFSA-N 621.351 4.095 10 10 KICE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1)=C(N)O2 1864013425 WVFRHGHQVRPKGX-RUZDIDTESA-N 528.584 4.445 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)c3nc(C(C)(C)C)n4ccccc34)CC2)cc1 1868783168 FVWBVUOUKOGESR-SANMLTNESA-N 539.680 4.330 10 10 KICE COC(=O)c1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCOC(C)C)C2=O)cc1 1873420599 QRBCVUJOQIWXRG-UHFFFAOYSA-N 501.583 4.498 10 10 KICE CC(=O)Nc1ccc(C=C2SC(=O)N(CCN3C(=O)SC(=Cc4ccc(N(C)C)cc4)C3=O)C2=O)cc1 2297449348 PLVARDSYVMFTFA-UHFFFAOYSA-N 536.635 4.484 10 10 KICE CCOC(=O)CCCCCN1C(=O)C(=Cc2ccc(OCC(=O)N3CCCCC3)cc2)SC1=S 2314755123 UNKOEAVBUMJHOQ-UHFFFAOYSA-N 504.674 4.403 10 10 KICE O=C1NC(=S)NC(=O)C1=Cc1ccc(N2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 8425665 VSEWLBDMCFSVPO-RUZDIDTESA-N 562.051 4.074 10 10 KICE CN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCC3)c2)SC1=S 35127648 NTYJTHGNBTUDQZ-RCCKNPSSSA-N 510.666 4.155 10 10 KICE CCOc1cc(/C=C2\C(=N)N3C(SC)=NSC3=NC2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 96459372 SZUFKCULCJXEBC-GESHDMKESA-N 516.626 4.101 10 10 KICE CCOc1cc(/C=C2/SC(=S)N(CCCCCC(=O)OC)C2=O)ccc1OCC(=O)N1CCCCC1 101731784 NUXSMIYJYAUJDT-OQKWZONESA-N 534.700 4.411 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)Cc3ccc(Cl)cc3)CC2)cc1 1861958291 DTMCBHTZVMNIFG-SANMLTNESA-N 510.009 4.107 10 10 KICE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC(C)C)=C(N)O2 1864017402 LKPJJWVFNOBEPI-JOCHJYFZSA-N 527.021 4.125 10 10 KICE CCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(CC)CC)=C(N)O2 1864022142 UNWPHMPWOGGVLO-AREMUKBSSA-N 541.652 4.152 10 10 KICE NC1=C(C(=O)N2CCCCC2)[C@@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(Cc3ccccc3)c2O1 1865033584 DANOGRUHBVXRRQ-IBGZPJMESA-N 514.504 4.069 10 10 KICE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C)CC1)=C(N)O2 1865035031 JNJSDYVQVYJMOJ-VWLOTQADSA-N 516.642 4.475 10 10 KICE CCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(C(C)(C)C)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867511025 YHVPDVKAITUHJZ-NSOVKSMOSA-N 575.754 4.389 10 10 KICE CCC[C@H](NC(=O)Cc1sc(NC(C)=O)nc1-c1cccs1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868628460 HAWKSRTXCBFYAG-NRFANRHFSA-N 555.726 4.015 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)CCC(=O)N3CCC[C@@H]3c3nc4ccccc4s3)C(C)C)CC2)cc1 1868885084 KKUWFKNRJDOBRY-VAVYLYDRSA-N 577.751 4.238 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)C(C)(C)C)n(-c4ccc(Br)cc4)n3)CC2)cc1 1869970283 HNLAMXXYXHRNJN-UHFFFAOYSA-N 513.440 4.350 10 10 KICE COc1ccc(CN2C(=O)C(NCCCn3ccnc3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1OC 1873167558 MEZAOALSINPENG-UHFFFAOYSA-N 539.636 4.268 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCCCn3ccnc3)C(=O)N(Cc3nc4ccccc4[nH]3)C2=O)cc1 1873167617 PRFOTOYITVJWKN-UHFFFAOYSA-N 519.609 4.127 10 10 KICE COC(=O)C1CCC(CN2C(=O)C(NCCCCN(C)C)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)CC1 1873167650 QTBCKYXDEMWXKK-UHFFFAOYSA-N 534.701 4.085 10 10 KICE CCOC(=O)c1ccccc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCOC)C1=O 1873420050 HIGLFSGXDQGASA-UHFFFAOYSA-N 501.583 4.499 10 10 KICE COc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCN(C)C)C2=O)c([N+](=O)[O-])c1 1873421344 SDWIHPIGBXJUTH-UHFFFAOYSA-N 517.586 4.155 10 10 KICE CCCCN1C(=O)C(=Cc2c(N3CCN(c4ccccc4)CC3)nc3c(C)cccn3c2=O)SC1=S 2296311725 OKSPVHJOMYTHFN-UHFFFAOYSA-N 519.696 4.331 10 10 KICE Cc1cccc(C)c1NC(=O)CN1C(=O)C(=C2SC(=S)N(C[C@H]3CCCO3)C2=O)c2ccccc21 2296714238 MNNBQARFECTKIA-QGZVFWFLSA-N 507.637 4.039 10 10 KICE Cc1cccn2c(=O)c(C=C3SC(=S)N(CCCCCC(=O)O)C3=O)c(N3C[C@@H](C)C[C@@H](C)C3)nc12 2314400961 SGZRKNNDXCAEOC-CALCHBBNSA-N 528.700 4.331 10 10 KICE O=C1[C@@H]2[C@H](c3ccccc3O)N[C@@](Cc3c[nH]c4ccccc34)(C(=O)O)[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1 104879953 RQYJYGRJMHKROB-HXFQDRMMSA-N 549.505 4.409 10 10 KICE COc1ccc([C@H](C)NC(=O)C2=C(N)Oc3c(c(C)nn3-c3ccc(C)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1 1864008731 QSNSGCWTTJJVRP-QLXKLKPCSA-N 526.593 4.481 10 10 KICE CCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1864014830 DHUWQOMGZHTGGH-KRWDZBQOSA-N 522.911 4.236 10 10 KICE CCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cccs1)=C(N)O2 1864019077 VLORYTDMXOFVCO-QHCPKHFHSA-N 534.613 4.159 10 10 KICE CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cn(C)c3ccccc13)=C(N)O2 1864020930 IOQIPSFQHNXTCX-RUZDIDTESA-N 529.641 4.058 10 10 KICE COc1ccc(-c2nn(C)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)N[C@H](C)c2ccc(OC)cc2)=C(N)O3)cc1 1864021717 FUAGNMOLRFDFBK-VOIUYBSRSA-N 542.592 4.088 10 10 KICE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@H](C)C1)=C(N)O2 1865029776 VFEUQGJHUPHWGD-PXAQALGRSA-N 539.032 4.220 10 10 KICE CCC[C@@H](NC(=O)c1c(OC)cccc1OC)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867364491 LJWWDWOLWUPWHZ-RPWUZVMVSA-N 510.679 4.012 10 10 KICE CCOc1ccc(-c2nc(N3CCN(c4ccc(OC)cc4)CC3)cc(N3C[C@@H](C)O[C@H](C)C3)n2)cc1 1867998888 RXHQZIXVXBLGAY-FGZHOGPDSA-N 503.647 4.491 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCN(C(C)=O)CC4)nc(-c4ccc(C(C)(C)C)cc4)n3)CC2)cc1 1867999664 KNTDKKNIMLCNSU-UHFFFAOYSA-N 528.701 4.445 10 10 KICE COc1ccc([C@@H](C(=O)N[C@@H](CCSC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)C(C)C)cc1 1868857676 SYEOMPDPNBQJCP-UIOOFZCWSA-N 513.704 4.030 10 10 KICE CC[C@](C)(NC(=O)CCc1nc(-c2ccc(OC)cc2)cs1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868915172 WTJHAJAYAXNALK-LJAQVGFWSA-N 536.698 4.394 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3cc(C4CC4)n4nc(C(C)(C)C)cc4n3)C(C)C)CC2)cc1 1868998556 CQQXTOZPZYUXNE-HHHXNRCGSA-N 532.689 4.016 10 10 KICE CCc1ccc(C(=O)N=c2nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]n2-c2ccc(Cl)cc2)cc1 1869970447 JKVYBPJFLPIDIA-UHFFFAOYSA-N 517.033 4.493 10 10 KICE Cc1cc(C)cc(OCCN2C(=O)C(NCCc3cnc[nH]3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)c1 1873168773 JEKBDUKLSGODIP-UHFFFAOYSA-N 523.637 4.425 10 10 KICE COC(=O)c1ccccc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCN(C)C)C1=O 1873421063 FBKUMAMXYQFLDC-UHFFFAOYSA-N 500.599 4.024 10 10 KICE CCCCCCNc1ncnc2c1cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2CCCOC 1875224605 ADKXGXMORJIYSS-UHFFFAOYSA-N 508.667 4.431 10 10 KICE C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C(=O)C(=Cc2cc(Br)ccc2O)SC1=S 2314837433 SDMBUOFXXMELPZ-SNVBAGLBSA-N 508.375 4.291 10 10 KICE CC(=O)N1N=C(c2ccc(I)o2)O[C@H]1/C(=C/c1ccc(N(C)C)cc1)NC(=O)c1ccccc1 33355859 VIJQSKYTMZHSNT-GCNVJJAOSA-N 570.387 4.288 10 10 KICE CCOCCCN1C(=O)/C(=C\c2c(N3CCc4ccccc4C3)nc3ccc(C)cn3c2=O)SC1=S 34703948 FIQCFBILURIJPW-PXLXIMEGSA-N 520.680 4.193 10 10 KICE COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1cccc(C(=O)O)c1 1084001962 HJTHSVHGFLTNGZ-XKZIYDEJSA-N 516.575 4.421 10 10 KICE Cc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\Nc2c(C)nn(Cc3ccccc3)c2C)C1=O 1084251779 BBIQRLGNNUBISP-XDHOZWIPSA-N 508.376 4.198 10 10 KICE O=S(=O)(c1ccc([C@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@@H]23)cc1)N1CCOCC1 1565534913 QMUANPPAJBPXTK-WOIUINJBSA-N 522.408 4.139 10 10 KICE CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN(CC)CC)=C(N)O2 1864011751 XQMIYNYVKXMVLL-SANMLTNESA-N 547.700 4.477 10 10 KICE CCCCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2CC(C)C)[C@@H]1c1ccc(O)c(O)c1 1864017371 KNRWIHZZCKYGOO-QFIPXVFZSA-N 506.603 4.237 10 10 KICE CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CCc1ccncc1)=C(N)O2 1865033338 XMNRLNHNGZJMLP-RUZDIDTESA-N 525.609 4.027 10 10 KICE CCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCCc3ccc(OC)cc3)ncnc21 1875200036 FPSUDROJUALBEM-UHFFFAOYSA-N 514.630 4.085 10 10 KICE COCCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCc3ccccc3C)ncnc21 1875222170 WXTPFEPEKSTTIL-UHFFFAOYSA-N 528.657 4.359 10 10 KICE CCc1nn2c(=O)cc(COc3ccc(C=C4C(=N)N5N=C(C(CC)CC)SC5=NC4=O)cc3)nc2s1 2297350821 CRSRAANRQPBYLX-UHFFFAOYSA-N 535.655 4.348 10 10 KICE CCCOC(=O)CCN1C(=O)C(=Cc2ccc(OCC(=O)N3CCCCC3)c(OCC)c2)SC1=S 2314761461 TYPSHVAWQBQOIF-UHFFFAOYSA-N 520.673 4.021 10 10 KICE CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(COc4ccc(F)cc4F)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 2782707 LZFSHYSXRYHPDY-SUAMDDGLSA-N 579.625 4.315 10 10 KICE CCOC(=O)COc1ccc(/C=C2\SC(=S)N(Nc3nc4ccccc4s3)C2=O)cc1OC 35519893 NZMCQZBNIIVCLI-WQRHYEAKSA-N 501.611 4.475 10 10 KICE N#Cc1nc(/C=C2\SC(=S)N(Cc3ccc(F)cc3)C2=O)oc1N1CCN(Cc2ccccc2)CC1 213215497 DOGHMYYCCISKPJ-HMAPJEAMSA-N 519.627 4.409 10 10 KICE CCOc1cc(C2=C(O)C(=O)N(c3ccc(CC(=O)OC)cc3)[C@@H]2c2ccc(O)c(O)c2)ccc1OC 526622800 OSYHZOKQDDCZTK-AREMUKBSSA-N 505.523 4.278 10 10 KICE C[C@@H]1CN(C2=NC(=O)/C(=C\c3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N4CCCC4)c3)S2)C[C@@H](C)O1 1554268062 JTUBGOSNSMSFRS-FSBBWMIQSA-N 577.732 4.403 10 10 KICE C[C@@H]1C[C@H]1c1ccc(CN(C(=O)CCN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)[C@H]2CCS(=O)(=O)C2)o1 1615296211 RBINRFGENLDREK-LPKMEEKOSA-N 562.710 4.349 10 10 KICE CCOC(=O)c1c(NC(=O)C(=O)NCc2ccccn2)sc(C)c1-c1ccc(Br)cc1 1860757928 BWHKPDIXGHROQT-UHFFFAOYSA-N 502.390 4.313 10 10 KICE Cc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(F)cc1)=C(N)O2 1864011336 GYSKDVJXCSCSOT-RUZDIDTESA-N 549.002 4.497 10 10 KICE NC1=C(C(=O)NC2CCCC2)[C@@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3ccccn3)c2O1 1864016699 VPSUFQAQKFLUQJ-QHCPKHFHSA-N 509.566 4.099 10 10 KICE CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)c1ccc(OC)cc1)=C(N)O2 1864020566 DMVRHTSUWOGZRZ-MWTRTKDXSA-N 506.603 4.093 10 10 KICE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)N2C[C@@H](C)C[C@@H](C)C2)[C@@H]3c2ccc(O)c(O)c2)cc1 1865028137 QFASXBPSAIAIIO-FUMQJTLXSA-N 502.615 4.159 10 10 KICE COc1ccc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1OC 1867314601 YTGPSGJUJWPHRP-URLMMPGGSA-N 574.722 4.160 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)/C=C/c4cc(OC)ccc4OC)n(C(C)(C)C)n3)CC2)cc1 1869971084 WWIMDAGGPMRNLP-VGOFMYFVSA-N 520.634 4.037 10 10 KICE COc1cc(C=C2SC(=O)N(Cc3ccccc3)C2=S)ccc1OCC(=O)Nc1ccc(S(N)(=O)=O)cc1 2040482343 NTZQVIHZVCBYKD-UHFFFAOYSA-N 569.686 4.397 10 10 KICE COc1ccc(N2CCN([C@@H](c3cccs3)[C@H](C)NC(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc1 57015876 XYYBPNFJZVZWQP-AFMDSPMNSA-N 525.671 4.464 10 10 KICE O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C\c1cc(I)c(O)c(I)c1 150383827 CCQAHFPZPIUJAL-WCIBSUBMSA-N 655.049 4.195 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](CSCc3ccccc3)NC(=O)CCc3ccccc3)CC2)cc1 1862289270 SPARCOMMRJXPSV-MUUNZHRXSA-N 517.695 4.395 10 10 KICE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCc1ccccc1)=C(N)O2 1864013445 BKFNGQFOLQQSJG-DEOSSOPVSA-N 504.631 4.346 10 10 KICE NC1=C(C(=O)N2CCCC2)[C@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3ccc(Cl)cc3)c2O1 1865032107 VUEZHVZNIGSHLK-QGZVFWFLSA-N 520.895 4.273 10 10 KICE COc1ccc(N2N=C(c3ccccc3)/C(=C/c3ccc(OCCN4CCOCC4)c(OC)c3)C2=O)cc1 1865665864 PIWUDQNHMYOLAC-QOMWVZHYSA-N 513.594 4.249 10 10 KICE CC[C@](C)(NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867922245 GPHYQEHOAKUDFZ-DODOAAEWSA-N 599.732 4.384 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)[C@H](C)c3ccc(Br)cc3)CC2)cc1 1868841677 ZNBNBSODLODUES-JPYJTQIMSA-N 534.520 4.148 10 10 KICE COC(=O)C1CCC(CN2C(=O)C(NCc3ccncc3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)CC1 1873164295 USXUXRFHGNEUNH-UHFFFAOYSA-N 526.637 4.338 10 10 KICE COc1ccc(C=C2SC(=S)N([C@@H]3CC(=O)N(c4cccc(C(F)(F)F)c4)C3=O)C2=O)cc1OC 2314832352 FSQPUNRZZSTQTF-OAHLLOKOSA-N 522.526 4.256 10 10 KICE COc1cccc(CN2CCC(N(c3ccc4c(c3)OCO4)S(=O)(=O)c3cccc(C)c3)CC2)c1O 34683994 LSBGORJRIPCIMM-UHFFFAOYSA-N 510.612 4.298 10 10 KICE O=C1C[C@H](c2ccc(O)c(O)c2)Oc2c1c(O)cc(O)c2[C@@H]1C(=O)c2c(O)cc(O)cc2O[C@H]1c1ccc(O)cc1 44305779 IMIXFUXOSFSXPC-XRHWURSXSA-N 558.495 4.433 10 10 KICE endogenous,in-man COc1cc(/C=C2\SC(=S)N([C@H]3CC(=O)N(c4ccc(S(N)(=O)=O)cc4)C3=O)C2=O)ccc1OCc1ccc(Cl)cc1 150447779 RRQDTKQTEKJXNT-JWRUUXOFSA-N 644.152 4.108 10 10 KICE Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1F)=C(N)O2 1864008185 FCWVEBQLVGEMFA-QHCPKHFHSA-N 520.948 4.395 10 10 KICE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)c1ccc(OC)cc1)=C(N)O2 1864014532 XMJOTPCKQHCBJP-BXKMTCNYSA-N 520.630 4.483 10 10 KICE CCOCCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1864015753 DZQJPPFWKOVDRS-VWLOTQADSA-N 540.620 4.247 10 10 KICE CCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2Cl)[C@@H]1c1ccc(O)c(O)c1 1864015780 VBRRZIOQGARCQT-INIZCTEOSA-N 508.884 4.177 10 10 KICE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N2CCc4ccccc4C2)[C@H]3c2ccc(O)c(O)c2)cc1 1865028522 WIVSXVRJOPEKTF-SANMLTNESA-N 508.578 4.180 10 10 KICE CCCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H]1CO)=C(N)O2 1865030548 LVBXTZUHNXDAFA-IBVKSMDESA-N 540.620 4.067 10 10 KICE CCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@@H](C)C1)=C(N)O2 1865035925 BQFWLWGWZMCFNX-XWXLMPLOSA-N 540.620 4.330 10 10 KICE CCC[C@H](NC(=O)CCS(=O)(=O)c1cccc(Cl)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866885775 DQVYHDDDMPTPSU-QHCPKHFHSA-N 553.036 4.203 10 10 KICE CC[C@@H](NC(=O)c1ccccc1Br)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867381016 SDIOEZLBVKJYEF-RPWUZVMVSA-N 515.496 4.367 10 10 KICE CC[C@](C)(NC(=O)c1ccc2c(c1)C(=O)N([C@@H](Cc1ccccc1)C(=O)O)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867633234 ZHMNOVDPTOILFQ-YWUCGUBVSA-N 667.807 4.286 10 10 KICE CN(C)c1ccc([C@H](CNC(=O)C(C)(C)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)N2CCCCC2)cc1 1867766069 IYTYDVABSNCMRP-QHCPKHFHSA-N 516.042 4.166 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)[C@@H]3CCCN3Cc3ccccc3F)c3ccccc3)CC2)cc1 1868822813 WUWHXKABVHMJJB-VMPREFPWSA-N 530.644 4.005 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)C[C@@H](c3ccccc3)c3nnc(C)o3)CC2)cc1 1868890937 NIIZVRZTOHZMTC-URLMMPGGSA-N 571.653 4.124 10 10 KICE CCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCN(C)[C@H](c3ccc(F)cc3)C2)n1 1869222746 RXQTUHMRQJIYNC-SANMLTNESA-N 504.654 4.397 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3nc4ccccc4[nH]3)C(=O)N(C[C@@H]3CCCO3)C2=O)cc1 1873169378 LXHREYSQDORBRG-QHCPKHFHSA-N 509.610 4.062 10 10 KICE C[C@@H]1CCCN(C2=NC(=O)C(=Cc3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N4CCOCC4)c3)S2)C1 2314476322 MSAZPIHYDCJUQY-OAQYLSRUSA-N 577.732 4.262 10 10 KICE Cc1cc(Oc2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N(CCC(=O)O)C2=O)ccc1Cl 39836020 DBABYQQVIDXTHN-GZTJUZNOSA-N 516.000 4.433 10 10 KICE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3cc(C)n(-c4cccc(C(F)(F)F)c4)c3C)C(=N)N21 96460576 BKOOBWFEGQXNDF-WSBZGFMLSA-N 509.535 4.124 10 10 KICE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(S(=O)(=O)NC(C)=O)cc3)[C@@H]2c2ccc(N(C)C)cc2)cc1 526139178 KVABEDQXPSBPJR-AREMUKBSSA-N 535.622 4.033 10 10 KICE Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCc1ccccc1)=C(N)O2 1864007312 KHTXXJJIXASZGT-AREMUKBSSA-N 510.594 4.426 10 10 KICE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1ccc(F)cc1 1865522618 URWUTLRGTZWNHK-FQEVSTJZSA-N 545.537 4.113 10 10 KICE CN(C)c1ccc([C@@H](CNC(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)N2CCCCC2)cc1 1866024356 PNTMLIHJHWOCQF-URLMMPGGSA-N 524.665 4.303 10 10 KICE CCCC[C@@H](NC(=O)CCCc1ccc(OC)c(OC)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868727017 MFXUCWZYVGTCBV-RUZDIDTESA-N 511.663 4.059 10 10 KICE CCOCCOC(=O)COc1cn(CCCN(C)C)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871121450 FAHWREIZPXIVCY-UHFFFAOYSA-N 522.646 4.114 10 10 KICE CCCNC(=O)COc1cn(CCN(CC)CC)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871133930 ONSMQZZBRLRCFZ-UHFFFAOYSA-N 505.663 4.451 10 10 KICE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 2313556686 IHFNYTWECITENW-UHFFFAOYSA-N 581.940 4.290 10 10 KICE CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3cc(Cl)cc(I)c3O)C2=O)c1 2313556860 MXELDULAGFIINL-UHFFFAOYSA-N 556.740 4.114 10 10 KICE COc1c(Br)cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1I 2313559603 GFRWIOZDGXXUMI-UHFFFAOYSA-N 606.008 4.491 10 10 KICE COc1ccc(-c2nc(CN3CCC[C@@H](C(=O)N4CCN(c5ccc(OC)cc5)CC4)C3)c(C)o2)cc1 9693920 YXEZPIMWONAILL-HSZRJFAPSA-N 504.631 4.228 10 10 KICE CCCCCNc1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(CCCCCC(=O)O)C1=O 35520930 OLVKUQULWKGEHM-JXAWBTAJSA-N 502.662 4.451 10 10 KICE Cc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\NN2C(=O)c3cccc4c(N5CCCCC5)ccc(c34)C2=O)C1=O 104445006 YJKBNLBRJVONJJ-RCCKNPSSSA-N 602.445 4.169 10 10 KICE COc1ccc2c(c1)N(C)C(=c1sc(=C3C(=O)N(c4ccccc4)N=C3C)n(C3CCCCC3)c1=O)S2 254760578 WJJAWEINVFZCJI-UHFFFAOYSA-N 532.691 4.305 10 10 KICE COc1ccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3Cc3ccc(Cl)cc3)[C@H]2c2ccc(O)c(O)c2)cc1 1864011458 HWFYAXZAJJJSQU-RUZDIDTESA-N 547.011 4.324 10 10 KICE Cc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccs1)=C(N)O2 1864011717 KHXCHLGQDFRFTO-QFIPXVFZSA-N 523.014 4.377 10 10 KICE CC(C)CCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(F)cc2)[C@@H]1c1ccc(O)c(O)c1 1864021736 FZMUJVHMFXQWNO-IBGZPJMESA-N 534.510 4.357 10 10 KICE CCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2-c2ccc(Cl)cc2)[C@H]1c1ccc(O)c(O)c1 1864023505 ZRDWUFXXCSJEKI-JOCHJYFZSA-N 532.984 4.443 10 10 KICE Cc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)Cc1ccccc1)=C(N)O2 1865026689 RCKOMMWPWWATKB-RUZDIDTESA-N 514.557 4.143 10 10 KICE CSCC[C@@H](NC(=O)[C@H]1CCCN1Cc1ccccc1F)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866921171 YILKPVVDYKXTRZ-CLJLJLNGSA-N 559.663 4.442 10 10 KICE COc1ccc(-c2csc(CCC(=O)NCC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)n2)cc1 1868150426 VGGKEJRSSHTXEY-UHFFFAOYSA-N 525.586 4.282 10 10 KICE COc1ccc(CCN2C(=O)C(NCCOC(C)C)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873165042 FKLKVRAECORKDQ-UHFFFAOYSA-N 501.627 4.440 10 10 KICE CCCOC(=O)c1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCc3cnc[nH]3)C2=O)cc1 1873165421 NTMFQJKULLTPHZ-UHFFFAOYSA-N 551.647 4.496 10 10 KICE CCCOC(=O)CCCN1C(=O)C(=Cc2cc(Br)c(OCC(=O)N3CCOCC3)c(OCC)c2)SC1=S 2314761079 PCBJREXUTMRLSN-UHFFFAOYSA-N 615.568 4.020 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)C(C)=Cc3ccccc3Cl)CC2)cc1 2330098278 HXRGNJLYRSXNNL-XMMPIXPASA-N 502.080 4.339 10 10 KICE Cc1ccc2nc(N3CCN(c4ccccc4)CC3)c(/C=C3/SC(=S)N(CC(C)C)C3=O)c(=O)n2c1 1450280 KNJYBCRTSHMMMT-PXLXIMEGSA-N 519.696 4.187 10 10 KICE COc1ccc(N2CCN(c3ncnc4sc(C(=O)N5CCN(Cc6ccccc6)CC5)c(C)c34)CC2)cc1 100664872 SRSAQPIRNIUULZ-UHFFFAOYSA-N 542.709 4.293 10 10 KICE CCc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@](CC2CCCCC2)(C(=O)O)N[C@H]3c2cccc(OC)c2O)cc1 251997598 LJRARDMNNBPJNY-HNFJUSDZSA-N 506.599 4.207 10 10 KICE CC(C)OCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1864013882 HZDGZDUDFOPWDC-DEOSSOPVSA-N 526.593 4.186 10 10 KICE NC1=C(C(=O)NCc2ccc(F)cc2)[C@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3ccccn3)c2O1 1864016524 RLXVPDPITUHNBS-RUZDIDTESA-N 549.562 4.496 10 10 KICE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)NC(C)C)=C(N)O3)cc1 1864021344 AZLKMAWASNPRAB-XMMPIXPASA-N 526.593 4.237 10 10 KICE COc1ccc(CCNC(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3CC(C)C)[C@@H]2c2ccc(O)c(O)c2)cc1 1864022291 LHTGVYNQRLSXEB-FQEVSTJZSA-N 546.546 4.031 10 10 KICE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCC1)=C(N)O2 1865030713 PCGCWIYCXNBBQB-QHCPKHFHSA-N 506.578 4.141 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)C4CCC4)n(-c4ccc(Br)cc4)n3)CC2)cc1 1869970305 HZSZSGLROKKHAR-UHFFFAOYSA-N 511.424 4.104 10 10 KICE CCOCCCN=c1nc(Nc2ccc(C(C)C)cc2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871503905 JFHRHRXVPSYLPF-UHFFFAOYSA-N 505.667 4.334 10 10 KICE CCOC(=O)c1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C3CCN(C)CC3)C2=O)cc1 1873164988 BYJNTQBPYNRVFF-UHFFFAOYSA-N 540.664 4.235 10 10 KICE CC(=O)NCCN1C(=O)C(Nc2cccc(OC(F)(F)F)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422407 WBZUDPYZSYLAIM-UHFFFAOYSA-N 526.515 4.321 10 10 KICE COc1ccc(N2CCN(C(=O)c3cc4c(NC[C@H](c5ccccc5)N5CCCC5)ncnc4n3C)CC2)cc1 1875199374 WVVXANWGKQOGRN-MUUNZHRXSA-N 539.684 4.188 10 10 KICE O=C1C(=Cc2c(N3CCN(c4ccccc4F)CC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccco1 2296175751 PWVAHDMWECDVDU-UHFFFAOYSA-N 547.637 4.155 10 10 KICE COc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OC(=O)c1ccc(F)cc1 2297347541 GCYCPOJSDSKBOX-UHFFFAOYSA-N 500.280 4.266 10 10 KICE COc1c(I)cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1I 2313559840 XKTNGDDPKVYFTL-UHFFFAOYSA-N 653.008 4.333 10 10 KICE CCN(CC)C(=O)COc1ccc(C=C2SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1 2314764421 BVEHBVMSOWRKSN-UHFFFAOYSA-N 504.033 4.133 10 10 KICE CCOc1c(I)cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)cc1OC 96475853 YDLSXMOTGOFNMS-RIYZIHGNSA-N 510.259 4.344 10 10 KICE CCOC(=O)C1CCN(C2=NC(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N(C)C)c3)S2)CC1 101013350 BAIGSBBHMMGCEF-BWAHOGKJSA-N 593.731 4.035 10 10 KICE CCOc1cc(/C=C2\C(=O)N(c3cccc(C(=O)O)c3)N=C2C)ccc1OCC(=O)Nc1ccccc1C(=O)OC 101575875 LMSGBXJRLYGGEI-UCQKPKSFSA-N 557.559 4.394 10 10 KICE O=C1/C(=C/c2cccs2)SC(=S)N1CCC(=O)N(Cc1ccc(N2CCCCC2)o1)[C@@H]1CCS(=O)(=O)C1 101909533 KDGZIEVMVNHVDM-AFDUHFSSSA-N 579.791 4.139 10 10 KICE CC[C@](C)(NC(=O)c1cccc(N2CCCC2=O)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866614922 NGDDUROYEMUTCU-PMERELPUSA-N 509.562 4.126 10 10 KICE CCC[C@H](NC(=O)c1cc(-c2ccc(OC)cc2)nc(O)n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866620689 LRHHEDAMVQZWCG-QHCPKHFHSA-N 550.571 4.170 10 10 KICE CC(C)N1C(=O)c2ccc(C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O 1867431860 DAKZMLDITGDTDS-ACHIHNKUSA-N 625.770 4.147 10 10 KICE CN(C)c1ccc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867891037 SLEGNJINBRBSFM-IOWSJCHKSA-N 557.739 4.209 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)[C@@H](C)c3ccc(Br)cc3)CC2)cc1 1868841675 ZNBNBSODLODUES-FDDCHVKYSA-N 534.520 4.148 10 10 KICE COCCCN1[C@H](C)CN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(C(C)(C)C)n2)C[C@H]1C 1869184372 PBKKFGIMTQVEPS-DHIUTWEWSA-N 510.727 4.045 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)CCCOc4cc(C)c(Cl)c(C)c4)n(C)n3)CC2)cc1 1869969244 KFZYXTJGTRMVBA-UHFFFAOYSA-N 513.042 4.218 10 10 KICE COc1ccc(CCN2C(=O)C(NCCOC(C)C)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1OC 1873165159 GKBQGZHTRREJFP-UHFFFAOYSA-N 531.653 4.449 10 10 KICE CCOCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCc2ccc(OC)c(OC)c2)C1=O 1873170242 SBGVEJAPPYZFBP-UHFFFAOYSA-N 531.653 4.450 10 10 KICE CCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(N3CCc4ccccc4C3)ncnc21 1873547783 UOOAPYQPYGNYFG-UHFFFAOYSA-N 510.642 4.375 10 10 KICE COc1cc(C=C2SC(=S)N(CC(=O)N3C[C@H](C)O[C@H](C)C3)C2=O)ccc1OC1CCCCC1 2314490472 YGMZIULLTCAZFK-CALCHBBNSA-N 504.674 4.244 10 10 KICE CCOc1cc(C=C2SC(=S)N([C@H](C(=O)O)c3ccccc3)C2=O)cc(Br)c1OCC(=O)N1CCOCC1 2314769980 XMNQFEKKGRVLTI-QFIPXVFZSA-N 621.531 4.113 10 10 KICE CS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCc4c(Cl)cccc4Cl)cc3)C(=N)N21 96459797 YHXQRCPDXXDIDY-GDGNHNJGSA-N 509.396 4.194 10 10 KICE CCCn1c(N2CCC(Cc3ccccc3)CC2)c(/C=C2\SC(=S)N(CC(=O)O)C2=O)c(C)c(C#N)c1=O 110524899 GJNNTXRXMLIOFP-HAHDFKILSA-N 550.706 4.183 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 252669238 GYFZJOGOXXZNFX-SANMLTNESA-N 558.616 4.033 10 10 KICE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cccs1)=C(N)O2 1864010395 MBSPOGJGLITMJK-XMMPIXPASA-N 546.649 4.360 10 10 KICE CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H]1CCCC[C@H]1C)=C(N)O2 1864013554 CGDRERNKZRNYBA-UQNRQAKVSA-N 503.603 4.021 10 10 KICE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](C)C1)=C(N)O2 1865029276 JQYMTOTYOSJBQE-BXKMTCNYSA-N 518.614 4.198 10 10 KICE CCN(CC)C(=O)COc1cn(CCCN(C)C)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871085621 BRMMWHBLPSOMGI-UHFFFAOYSA-N 505.663 4.403 10 10 KICE COc1ccc(/C=C2\SC(=S)N(CC(=O)OCC(=O)Nc3cc(Cl)cc(Cl)c3)C2=O)cc1 3263352 JHLUPOBNWQPCHF-FMQZQXMHSA-N 511.408 4.385 10 10 KICE CCOc1cc(/C=C2\SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)ccc1OC(=O)/C=C\c1ccc(OC)cc1 102678089 BSFNKMDLAOQRDI-IJMGWMAVSA-N 559.687 4.101 10 10 KICE Cc1c(/C=C2/SC(=S)N(CCc3ccccc3)C2=O)c(N2CCN(c3ccccc3)CC2)n(C)c(=O)c1C#N 105617105 KWFHVYKXYMSPFX-LGUFXXKBSA-N 555.729 4.336 10 10 KICE Cc1c(N2C(=O)/C(=C/c3c(N4C[C@@H](C)C[C@@H](C)C4)nc4ccccn4c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C 110076659 PHSRBAIZOJWDLY-QJPJTBPQSA-N 586.743 4.380 10 10 KICE CC[n+]1c(/C=C/c2ccc(N(CC(=O)O)CC(=O)O)c(OCCOc3cc(C)ccc3N(CC(=O)O)CC(=O)O)c2)sc2ccccc21 161671737 CUAPPUTUKOUYNE-UHFFFAOYSA-O 678.740 4.097 10 10 KICE COc1ccc2[nH]c3c(c2c1)CCN[C@]31CS[C@@H]2c3c(OC(C)=O)c(C)c4c(c3[C@H](COC1=O)N1[C@@H](O)[C@H]3Cc5cc(C)c(OC)c(O)c5[C@H]([C@H]21)N3C)OCO4 1775954683 YDDMIZRDDREKEP-PAXOSVKBSA-N 784.888 4.189 10 10 KICE CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccco1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865315856 OLQKLYNHTCSYGU-AREMUKBSSA-N 525.609 4.080 10 10 KICE CC[C@](C)(NC(=O)CCCc1ccc2c(c1)OCCO2)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866788505 AHMJVOWSTWCYAS-HKBQPEDESA-N 526.589 4.480 10 10 KICE CC[C@@](C)(NC(=O)[C@H]1CCCN1Cc1ccccc1F)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866920705 UGZMCPPZLQAITE-OOWIMERYSA-N 527.596 4.489 10 10 KICE COc1ccc(-n2nncc2C(=O)N[C@H](C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c2ccccc2)cc1 1866921952 BGURDXMTOZASHC-NDEPHWFRSA-N 557.566 4.161 10 10 KICE CN(C)c1ccc([C@@H](CNC(=O)[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)N2CCCCC2)cc1 1867356788 USMIPLHNJIHBMJ-VSGBNLITSA-N 529.641 4.475 10 10 KICE CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3cc(Br)cc(I)c3O)C2=O)c1 2313556859 MWODXZAWQOWULO-UHFFFAOYSA-N 601.191 4.223 10 10 KICE Cc1ccc2nc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)c(C=C3SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(=O)n2c1 2314399306 KVFQPZVOWVMSQC-UHFFFAOYSA-N 707.838 4.257 10 10 KICE Cc1ccc2nc(NCCCOC(C)C)c(/C=C3/SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(=O)n2c1 102988916 OYGYWHDPIYPREU-WSDLNYQXSA-N 552.678 4.360 10 10 KICE CC(=O)Nc1cccc(N2N=C(C)C(=c3sc(=C4Sc5ccccc5N4C)c(=O)n3-c3ccc(C)cc3)C2=O)c1 263632643 AEFHNXQCPRDSQI-UHFFFAOYSA-N 567.696 4.047 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](CSCc3ccccc3)NC(=O)Cc3ccc(F)cc3)CC2)cc1 1862123180 MFFOXMVNUPFMHL-MHZLTWQESA-N 521.658 4.144 10 10 KICE CCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1)=C(N)O2 1864018605 OYTCCPCVEAVUDA-XMMPIXPASA-N 514.557 4.055 10 10 KICE CCN(CC)C(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1865028759 ZURFGFHWXWGDSV-HXUWFJFHSA-N 503.386 4.462 10 10 KICE CCCC[C@H](NC(=O)/C=C(\C)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867073727 FJLVZXHIJBHONF-LWBDSCKXSA-N 587.698 4.429 10 10 KICE CCC[C@H](NC(=O)c1cc(OC)c(OC)c(OC)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867338050 AKPKCVLMMWGZFN-DQEYMECFSA-N 540.705 4.020 10 10 KICE CN(C)c1ccc([C@@H](CNC(=O)[C@@H](CSCc2ccccc2)NC(=O)c2ccc(NS(C)(=O)=O)cc2)N2CCCCC2)cc1 1867605447 MJGWSTSSBQXGMO-FIRIVFDPSA-N 637.872 4.499 10 10 KICE CCOC(=O)C1CCN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(-c3ccccc3)n2)CC1 1867973397 SLQIDBSLBDUFKC-UHFFFAOYSA-N 501.631 4.258 10 10 KICE COCCCN1[C@H](C)CN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(-c3cccc(OC)c3)n2)C[C@H]1C 1869312651 WHECJCCXISWGOI-JWQCQUIFSA-N 560.743 4.423 10 10 KICE CCCn1cc(OCC(=O)Nc2ccc(C)c(C)c2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870752335 WERXDNNRQAEHEG-UHFFFAOYSA-N 518.658 4.223 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCCN(C)C)C(=O)N(CC3CCC(C(=O)OC(C)C)CC3)C2=O)cc1 1873164591 IREKGYKHALFCBG-UHFFFAOYSA-N 534.701 4.083 10 10 KICE CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)Nc3cccc4c(O)cccc34)cc1C2=O 1873940094 LDXXEVJFFIGGFH-UHFFFAOYSA-N 509.470 4.424 10 10 KICE COCCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCc3ccccc3)ncnc21 1875221563 VQIPQALEUVSFDK-UHFFFAOYSA-N 514.630 4.051 10 10 KICE Cc1c(N2C(=O)C(=Cc3c(N4CCC[C@H](C)C4)nc4ccccn4c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C 2314413554 APEBNJSBXNOSAA-SFHVURJKSA-N 572.716 4.134 10 10 KICE C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)C(=Cc2cccc(Oc3ccccc3)c2)SC1=S 2314837009 MXJJXFPIMYUKAO-MRXNPFEDSA-N 539.660 4.355 10 10 KICE Cc1ccccc1/C=C1\SC(=S)N(CCCCCC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1=O 15044527 YYNLCKGSAPEULM-HKWRFOASSA-N 503.671 4.043 10 10 KICE COc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc(I)c1O 33337782 WYIPEBWPHKBIAL-YBEGLDIGSA-N 512.394 4.477 10 10 KICE C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)CCN2C(=O)/C(=C/c3ccccc3)SC2=S)[C@H]2CCS(=O)(=O)C2)o1 256042045 LAIABXAHIRYFJZ-JISUJIQKSA-N 544.720 4.210 10 10 KICE O=C1c2ccccc2C(=O)c2cc(NC(=O)C3CCN(C(=O)c4ccc(Br)o4)CC3)ccc21 1860591626 VDZKPPWKGPYGFS-UHFFFAOYSA-N 507.340 4.308 10 10 KICE Cc1ccc(CCNC(=O)C2=C(N)Oc3c(c(C)nn3Cc3ccc(C)cc3)[C@H]2c2ccc(O)c(O)c2)cc1 1864012250 VRRYYFAJURNSBJ-HHHXNRCGSA-N 524.621 4.321 10 10 KICE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCc1ccc(C)cc1)[C@@H]2c1ccc(O)c(O)c1 1864016345 MWFKNKOMVFBXFV-XMMPIXPASA-N 510.594 4.343 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)c3nc(C4CC4)n4ccccc34)CC2)cc1 1868778718 RQTVDNVTBGAKRY-SANMLTNESA-N 541.627 4.049 10 10 KICE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CCN(c2ccc(CN)cc2Br)CC1 2220633538 LHIZDNPAGRZRHZ-UHFFFAOYSA-N 513.477 4.202 10 10 KICE C[C@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C3SC(=S)N([C@@H]4CCS(=O)(=O)C4)C3=O)c2)C1 2314479214 DZLLBKLAWWBQKP-GBXCKJPGSA-N 642.850 4.348 10 10 KICE CC(C)c1nc2c(Cl)cc(C(F)(F)F)cn2c1C=C1SC(=S)N([C@H](C(=O)O)[C@@H](C)O)C1=O 2323823521 OEYVVCSBQIKAEQ-CLAHSXSESA-N 507.943 4.165 10 10 KICE CCOCCCN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3ccc(C)cc3C)c3ccccc32)SC1=S 2533511 VHEKFFRSIAATBI-GHVJWSGMSA-N 509.653 4.287 10 10 KICE CCCCCCn1c(O)nc2nc3cc(N/C=C4\C(=O)N(Cc5ccccc5)C(=O)N=C4O)ccc3nc2c1=O 29749800 VHIHCDFLPOGUID-CYVLTUHYSA-N 541.568 4.040 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 254622316 ISVFAHXENJHHSY-GDLZYMKVSA-N 598.681 4.352 10 10 KICE COC(=O)c1c(NC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)sc(C)c1-c1ccc(C)c(C)c1 1860761533 XGQNBMYYGYCUCE-UHFFFAOYSA-N 510.612 4.442 10 10 KICE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N[C@@H]1CCCC[C@H]1C)[C@@H]2c1ccc(O)c(O)c1 1864022586 PNBNLYJYYPPPMI-DDUZABMNSA-N 508.541 4.359 10 10 KICE Cc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCCC1)=C(N)O2 1865026502 OOLCULIDBCMWFF-HSZRJFAPSA-N 509.006 4.402 10 10 KICE CCN(CCc1ccncc1)C(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2Cl)[C@@H]1c1ccc(O)c(O)c1 1865028223 RVXPAEJSFHIRSK-VWLOTQADSA-N 546.027 4.426 10 10 KICE CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1C)=C(N)O2 1865029180 HUCPYYCGNJHBQD-HOYKHHGWSA-N 502.615 4.391 10 10 KICE COc1cc(/C=C2\C(=O)N(c3ccc(Cl)cc3)N=C2C(F)(F)F)ccc1OCCN1CCOCC1 1865665232 IJUJHFXTPCHGNC-RGEXLXHISA-N 509.912 4.408 10 10 KICE CSCC[C@@H](NC(=O)c1ccccc1F)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867854797 XTOHXUMLDLEFTP-RPBOFIJWSA-N 500.684 4.087 10 10 KICE CCCC[C@@H](NC(=O)c1cc(-c2cc(F)ccc2F)n(C)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868943470 YSMQPMDMIINLFA-XMMPIXPASA-N 525.600 4.011 10 10 KICE COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCO[C@@H](c3ccc(Br)cc3)C2)n1 1869113936 QKGXVGZXLNWFQC-RUZDIDTESA-N 568.516 4.341 10 10 KICE CCOC(=O)N1CCC(N2C(=O)C(NCCCN(CC)CC)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)CC1 1873167622 PSYVGUWPVRQFGU-UHFFFAOYSA-N 549.716 4.116 10 10 KICE CCN(CC)CCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCc2nc3ccccc3[nH]2)C1=O 1873169673 SCOVYVWXOSTBAR-UHFFFAOYSA-N 524.669 4.224 10 10 KICE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(I)c1OC 2313548984 KPHRQNQANBPGBG-UHFFFAOYSA-N 571.165 4.046 10 10 KICE COc1ccc(N2CCN(CCCNC(=O)c3ccc4nc(N5CCC(C)CC5)sc4c3)CC2)cc1 8912717 OJEUCIWWTORFPJ-UHFFFAOYSA-N 507.704 4.483 10 10 KICE COCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)c2)SC1=S 101013721 GTLQZVJKTAWERK-CSGQPYJXSA-N 598.772 4.185 10 10 KICE C[C@H]1CN(C2=NC(=O)/C(=C\c3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N4CCCC4)c3)S2)C[C@@H](C)O1 110557218 JTUBGOSNSMSFRS-VKLZREONSA-N 577.732 4.403 10 10 KICE CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccc(/N=N/c2ccccc2)cc1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](CCCNC(=N)N)C(=O)Nc1ccccc1 150667003 QEKLQEDHXHSXSP-ZYELURIVSA-N 852.010 4.228 10 10 KICE CCCOc1ccc(C2=C(O)C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@@H]2c2ccc(N(C)C)cc2)cc1 526311785 LQVJAKNINYNMPJ-RUZDIDTESA-N 507.612 4.246 10 10 KICE COc1ccc(CCNC(=O)C2=C(N)Oc3c(c(C)nn3-c3ccccc3Cl)[C@@H]2c2ccc(O)c(O)c2)cc1 1864009113 ZMUVSKBVEWXPAA-VWLOTQADSA-N 547.011 4.307 10 10 KICE CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccco1)=C(N)O2 1864010396 MCAKFYJVOULFPT-HSZRJFAPSA-N 500.555 4.148 10 10 KICE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCCc3ccccc31)[C@H]2c1ccc(O)c(O)c1 1865034256 SCQLDQFPUUNRGC-IBGZPJMESA-N 514.504 4.397 10 10 KICE CCCCN(CC)C(=O)C1=C(N)Oc2c(c(CC)nn2Cc2ccccc2F)[C@@H]1c1ccc(O)c(O)c1 1865034911 HOMWHOXWVCYZBE-QHCPKHFHSA-N 508.594 4.387 10 10 KICE COCCCN1C(=O)c2ccc(C(=O)N[C@H](Cc3ccc(F)cc3)C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O 1867514145 BUQZJXYWJWXIIF-SAIUNTKASA-N 657.787 4.209 10 10 KICE CC[C@H](C)N1C(=O)c2ccc(C(=O)N[C@@](C)(CC)C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O 1867582398 BZBOJCCMYOGDDK-VVRVBMPWSA-N 575.754 4.389 10 10 KICE COc1cc(C(=O)N[C@@H](C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c2ccccc2)c([N+](=O)[O-])cc1OC 1867804843 LNRPYJIFWCRPHI-POURPWNDSA-N 589.693 4.493 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)Cc3nc(-c4cccc(C)c4)oc3C)CC2)cc1 1868636950 PTPWGNSUWAETRY-PMERELPUSA-N 568.674 4.291 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCN[C@@H](c5ccc(F)cc5)C4=O)nc(-c4ccc(F)cc4)n3)CC2)cc1 1869286625 JHIBISSSDKERRD-LJAQVGFWSA-N 556.617 4.435 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)COc4ccccc4)n(-c4cccc(Cl)c4)n3)CC2)cc1 1869970709 OCDZUGQYDOOIKF-UHFFFAOYSA-N 519.005 4.273 10 10 KICE COCCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCCc3ccc(F)cc3)ncnc21 1875221488 RPNATGDVENIFND-UHFFFAOYSA-N 546.647 4.233 10 10 KICE COc1ccc(OC)c(-n2c(C)cc(C=C3C(=N)N4N=C(CC(=O)N5CCCCC5)SC4=NC3=O)c2C)c1 2297468420 IVLRYVYOTRAQCA-UHFFFAOYSA-N 534.642 4.133 10 10 KICE Cc1ccsc1CN(C(=O)CCN1C(=O)C(=Cc2ccc(F)cc2)SC1=S)[C@@H]1CCS(=O)(=O)C1 2314600211 RUABSXDQMIDXAN-GOSISDBHSA-N 538.713 4.003 10 10 KICE O=C(O)CN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCCCC3)c2)SC1=S 110559071 YHSDOGIQWIMUFF-XQNSMLJCSA-N 582.729 4.390 10 10 KICE C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3/SC(=S)N(C)C3=O)c2)C[C@@H](C)O1 229082144 HWPPJWYZIJNTIA-XBWYWLENSA-N 554.719 4.168 10 10 KICE C[C@H](O)[C@H](C(=O)O)N1C(=O)/C(=C\c2cn(CCOc3ccc(Cl)cc3)c3ccccc23)SC1=S 1858595511 BXKQZEBBEMYYJH-YCMJHMQNSA-N 517.028 4.409 10 10 KICE CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN1CCCC1)=C(N)O2 1864009593 BRLRFYDLBWWQTG-SANMLTNESA-N 545.684 4.231 10 10 KICE Cc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(F)cc1)=C(N)O2 1864010721 BCPXBPZEZCAALE-DEOSSOPVSA-N 534.975 4.455 10 10 KICE Cc1cc([C@H](CC(=O)N[C@@H](CO)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C(C)C)ccc1F 1866766044 KIRJGAVAVIFLPJ-RDGATRHJSA-N 516.569 4.155 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](CSCc3ccccc3)NC(=O)c3cc(-c4ccco4)n(C)n3)CC2)cc1 1869039770 KZTWYIAGFZRZCH-SANMLTNESA-N 559.692 4.069 10 10 KICE CCCN=c1nc(Nc2ccc(OC(F)(F)F)cc2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871572898 UEICRKRRGALOHD-UHFFFAOYSA-N 503.529 4.093 10 10 KICE COc1ccc(Br)c(CNC[C@@H]2CN(C(=O)OC(C)(C)C)CCN2Cc2ccccc2)c1O 2227743670 WQHYCVCRSVORRW-LJQANCHMSA-N 520.468 4.374 10 10 KICE CCOc1c(I)cc(C=C2C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc1OC 2313561192 YRDWRMSXTBMJEJ-UHFFFAOYSA-N 571.165 4.127 10 10 KICE CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 6354145 MERAPMXUISVEKJ-QTTRZTASSA-N 572.643 4.341 10 10 KICE CCn1c(N2CCN(c3ccccc3)CC2)c(/C=C2\SC(=S)N(CC(C)C)C2=O)c(C)c(C#N)c1=O 39989854 MHAKBWTUXJUKIZ-HAHDFKILSA-N 521.712 4.232 10 10 KICE CCCCn1c(N2CCC[C@@H](C)C2)c(/C=C2\SC(=S)N(CCCOC)C2=O)c(C)c(C#N)c1=O 39990425 SAJMFRHXJAJESD-RHTHQAGFSA-N 502.706 4.303 10 10 KICE O=C1N=C(N2CCOCC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCC2)c1 101013289 QIFABQHOOTYDEW-PLRJNAJWSA-N 563.705 4.016 10 10 KICE NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)/C(=C/c3c4ccccc4cc4ccccc34)SC2=S)cc1 101965842 NNTRKAHPZSLQLT-UCQKPKSFSA-N 533.656 4.480 10 10 KICE COc1cc(/C=C2/SC(=S)N(Cc3ccco3)C2=O)ccc1OCC(=O)Oc1ccc(C=O)cc1OC 110069333 AVUJTHQJXLTUPY-FSJBWODESA-N 539.587 4.495 10 10 KICE O=C1/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCCCC3)c2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 150658190 GSMZVLXHSILMSM-PSQINSSGSA-N 642.850 4.492 10 10 KICE CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(C(=O)OC(C)C)cc1)=C(N)O2 1864013594 DHJWAMFNUDGUDG-DEOSSOPVSA-N 548.640 4.233 10 10 KICE CCCc1nn(C)c2c1[C@@H](c1ccc(Cl)cc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865087014 XXYSUMUZWBSTHZ-HSZRJFAPSA-N 522.049 4.078 10 10 KICE CSCC[C@@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867785544 VGJYHOOJJLIXGB-UHSQPCAPSA-N 596.798 4.456 10 10 KICE COc1ccccc1C(=O)N[C@H](Cc1ccccc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867917093 YZYSAZYIRYVWLE-FQLXRVMXSA-N 528.697 4.446 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCN(Cc5ccccc5)CC4)nc(-c4cccnc4)n3)CC2)cc1 1868004848 RUGUZYMFBBXOPV-UHFFFAOYSA-N 521.669 4.196 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)[C@H](C)c3ccc(Br)cc3)CC2)cc1 1868837414 DAWLPDQWFVMZEZ-NFQMXDRXSA-N 566.496 4.343 10 10 KICE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccc(F)cc4)cn3CCCCCCO)CC2)cc1 1870626258 OTFIODGSSPHLFZ-UHFFFAOYSA-N 523.649 4.450 10 10 KICE CC[C@H](C)c1ccccc1OCCOc1ccc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc1 2297345153 XFYJHDQYOWKWID-INIZCTEOSA-N 526.640 4.279 10 10 KICE CCCC[C@@H](CC)CN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2N2CCN(C)CC2)SC1=S 33812512 BTJHZFHQNKMVPX-MLPWYGTASA-N 515.749 4.218 10 10 KICE CCCCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CCC)c2N2CCN(CC)CC2)SC1=S 33812548 DTOSQYWEPDIXBN-XLNRJJMWSA-N 515.749 4.362 10 10 KICE COC(=O)CCNC(=O)c1ccc(/N=N/c2cc(C(=O)NCCC(=O)OC)ccc2NC(=O)OC(C)(C)C)cc1 888086315 CPPPYTUOELFSDO-QNEJGDQOSA-N 555.588 4.035 10 10 KICE CC(=O)Oc1cccc(C(=O)N[C@H](C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c2ccccc2)c1 1867296594 PNQNBFPFKAMXQJ-KYJUHHDHSA-N 542.680 4.492 10 10 KICE CC[C@H](C)N1C(=O)c2ccc(C(=O)N[C@](C)(CC)C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O 1867582394 BZBOJCCMYOGDDK-GTEXPPMLSA-N 575.754 4.389 10 10 KICE CN(C)c1ccc([C@@H](CNC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)N2CCCCC2)cc1 1867795796 QHNFXNPXPHGBRF-GRKNLSHJSA-N 586.737 4.411 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)Cc3nc(-c4ccc(C)cc4)oc3C)CC2)cc1 1868639651 RJASUUPEKFCCOE-PMERELPUSA-N 568.674 4.291 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)C[C@@H](C)c3ccc(Cl)cc3)CC2)cc1 1868684714 XLCBJNGMEHLEQY-NTKDMRAZSA-N 504.096 4.429 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(OC(C)=O)cc3)NC(=O)CCCc3ccccc3C)CC2)cc1 1868952717 NLMCAEQCNZBOBM-WJOKGBTCSA-N 557.691 4.328 10 10 KICE COCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(C2CCN(Cc3ccccc3)CC2)C1=O 1873165506 LQYMSENCRDXWNF-UHFFFAOYSA-N 526.681 4.465 10 10 KICE COc1ccc(CCN2C(=O)C(NCCCn3ccnc3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1OC 1873168068 IBMXGWIMBKAUSJ-UHFFFAOYSA-N 553.663 4.310 10 10 KICE [N-]=[N+]=NC[C@@H]1CCN(C(=O)c2cc(I)cc(I)c2I)C1 1912192870 AHFCONNHHQNPOX-ZETCQYMHSA-N 607.959 4.273 10 10 KICE CC[C@H](C)N1C(=O)C(=Cc2c(N3CCN(c4ccccc4OC)CC3)nc3ccccn3c2=O)SC1=S 2295990442 ONUMBXUTDGJCCM-SFHVURJKSA-N 535.695 4.029 10 10 KICE C[C@@H]1CN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N([C@H](C)c3ccccc3)C2=O)C[C@@H](C)O1 2296541891 DMILYCJQXMSZDS-KZNAEPCWSA-N 506.653 4.271 10 10 KICE Cc1ccc2nc(N3C[C@H](C)O[C@H](C)C3)c(C=C3SC(=S)N(Cc4ccc(F)cc4)C3=O)c(=O)n2c1 2314401443 YRNUXXNOALCXOH-CALCHBBNSA-N 524.643 4.157 10 10 KICE CCCN1C(=O)/C(=C\c2c(N3CCN(c4ccccc4F)CC3)nc3c(C)cccn3c2=O)SC1=S 33339536 AMXVWRRHKIFQAC-LTGZKZEYSA-N 523.659 4.080 10 10 KICE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccc(S(=O)(=O)NC(=O)Oc2ccc(N)cc2)cc1 1858958900 WHSVLVFSRSKXGZ-CQSZACIVSA-N 538.409 4.137 10 10 KICE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)NCCc2ccc(F)cc2)[C@@H]3c2ccc(O)c(O)c2)cc1 1864008406 JXPBQOCIPISPOR-AREMUKBSSA-N 528.584 4.152 10 10 KICE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1C[C@@H](C)C[C@@H](C)C1)[C@H]2c1ccc(O)c(O)c1 1865033529 BRBGZSHUGDNTGA-IYOUNJFTSA-N 508.541 4.168 10 10 KICE CN(C)c1ccc([C@H](CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)N2CCCCC2)cc1 1867798731 VQKWFSDHRUDLPY-IZEXYCQBSA-N 602.736 4.117 10 10 KICE CCCN(CCC)c1cccc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCN(c3ccc(OC)cc3)CC2)n1 1868604361 IEXRBGSOUMNURK-LJAQVGFWSA-N 559.711 4.112 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCCCN3CCOCC3)C(=O)N(CCCc3ccccc3)C2=O)cc1 1873169145 BJRDVTULQTYYBH-UHFFFAOYSA-N 526.681 4.119 10 10 KICE COCCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NC[C@@H](O)c3ccc(Cl)cc3)ncnc21 1875222538 DQKBVHGTCUXQEB-HHHXNRCGSA-N 579.101 4.238 10 10 KICE CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OCCOc4cc(C)ccc4C)c(Cl)c3)C(=N)N21 2297345594 KJZATWLCRCCNMW-UHFFFAOYSA-N 547.058 4.426 10 10 KICE CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CN2C(=O)C(=Cc3cccs3)SC2=S)cc1 2314627491 BJLAMWMZUJLBEX-IBGZPJMESA-N 501.699 4.223 10 10 KICE CCOc1cc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc(Cl)c1OCc1ccccc1F 101397289 XRNCIIJFBQAFQN-SIJPIJEQSA-N 536.994 4.078 10 10 KICE Cc1cccc(OCCCOc2ccc(/C=C3\C(=N)N4N=C(CC(=O)N5CCCC5)SC4=NC3=O)cc2)c1 103612913 WTKOOXQIMNSNBL-BJDNMCPZSA-N 531.638 4.475 10 10 KICE Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1/C=C1/C(=O)NC(=O)N(c2ccc(Br)c(C)c2C)C1=O 1084555603 YBPGHVWBYRAZJX-YVLHZVERSA-N 583.355 4.351 10 10 KICE CCCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccco1)=C(N)O2 1864013322 VUSRIHVVDNKCOI-HSZRJFAPSA-N 518.545 4.038 10 10 KICE CCCCN(CC)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccn2)[C@@H]1c1ccc(O)c(O)c1 1865033497 AURTUJZFINUYMV-SFHVURJKSA-N 517.508 4.041 10 10 KICE COc1ccc(C2=NN(Cc3ccc(F)cc3)C(=O)/C2=C/c2ccc(OCCN3CCOCC3)c(OC)c2)cc1 1865665515 YCKGEOWSZDNNTR-ZXVVBBHZSA-N 545.611 4.384 10 10 KICE CCC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(C(C)(C)C)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867511024 YHVPDVKAITUHJZ-IZLXSDGUSA-N 575.754 4.389 10 10 KICE CN(C)c1ccc([C@@H](CNC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)N2CCCCC2)cc1 1867831619 WEFLCEUOEAGLGA-URLMMPGGSA-N 606.655 4.393 10 10 KICE CCCCN(CCO)c1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(-c2ccc(OCC)cc2)n1 1867996828 OQXJFHYBJRDQPE-UHFFFAOYSA-N 505.663 4.476 10 10 KICE CC[C@@](C)(NC(=O)Cc1nc(-c2ccc(Cl)cc2)oc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868648922 FPEDRAHFSPXHQO-MUUNZHRXSA-N 525.049 4.488 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)COc4cccc(C)c4C)n(-c4ccccc4)n3)CC2)cc1 1869970371 ORNUNUKLRFPHKB-UHFFFAOYSA-N 512.614 4.237 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)CCc4ccccc4OC)n(-c4ccc(C)cc4)n3)CC2)cc1 1869970887 ZXSPUKSVLKKWGS-UHFFFAOYSA-N 526.641 4.491 10 10 KICE COCCn1cc(OCC(=O)NCc2ccco2)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870977628 MJKIDLNWALMQFI-UHFFFAOYSA-N 502.571 4.139 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)Cc3ccc(F)c(C)c3)CC2)cc1 1874642626 JSMZWLDYUSFGDY-GDLZYMKVSA-N 528.628 4.243 10 10 KICE CCCOc1c(Br)cc(C=C2C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1OCC 2297101982 RMHLKOKKEOHJFB-UHFFFAOYSA-N 503.349 4.312 10 10 KICE COc1ccc(CN2C(=O)C(=Cc3c(N4CCN(Cc5ccc6c(c5)OCO6)CC4)nc4ccccn4c3=O)SC2=S)cc1 2297578902 PBXVACODAKSZSM-UHFFFAOYSA-N 627.748 4.155 10 10 KICE Cc1ccc2nc(N3CCC[C@H](C)C3)c(C=C3SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(=O)n2c1 2314413751 GSEMUEYTKKDXOZ-SFHVURJKSA-N 586.743 4.443 10 10 KICE CCOc1cc(C=C2SC(=S)N(CCCCCC(=O)O)C2=O)ccc1OCC(=O)N1CCCCC1 2314754605 WQSGNWIJEJUHPP-UHFFFAOYSA-N 520.673 4.323 10 10 KICE Cc1c(N2C(=O)/C(=C/c3c(N4CCC[C@H](C)C4)nc4ccccn4c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C 110076067 APEBNJSBXNOSAA-PSRBBBRCSA-N 572.716 4.134 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccccc3OCc3ccccc3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 254382526 ZXOHHZASOHCEAU-LJAQVGFWSA-N 553.684 4.443 10 10 KICE Cc1ccc2c(CCNC(=O)[C@H]3CCC(=O)NCCCCCOc4ccc(Cl)cc4C(=O)N3)c(C)n(C)c2c1 1615139729 PQAXVKWTFMGMLD-RUZDIDTESA-N 553.103 4.365 10 10 KICE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)NC(C)C)=C(N)O3)cc1 1864022556 ONLYACZWIBEINE-HSZRJFAPSA-N 512.566 4.178 10 10 KICE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)N1CCCC[C@@H]1C)[C@H]2c1ccc(O)c(O)c1 1865034372 VDYJKBBXJJOBFX-SBUREZEXSA-N 518.614 4.476 10 10 KICE COc1cccc2c1C(=O)N([C@H](Cc1ccccc1)C(=O)Nc1cccc3c1C(=O)c1ccccc1C3=O)C2=O 1865839598 HRVSYBHTNSOFGR-XMMPIXPASA-N 530.536 4.317 10 10 KICE COC(=O)c1c(NC(=O)[C@H](CCC(N)=O)NC(=O)OCc2ccccc2)sc(C)c1-c1ccc(C)cc1 1866116610 KORDOKCABZJGGI-FQEVSTJZSA-N 523.611 4.318 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](CSCc3ccccc3)NC(=O)CCNc3ccccc3OC)CC2)cc1 1868798960 WECVEVUSGYGQNL-NDEPHWFRSA-N 562.736 4.273 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)[C@@H](C)c3ccc(Br)cc3)C(C)C)CC2)cc1 1868829939 JETCYNZWTLFMKB-MBSDFSHPSA-N 502.453 4.051 10 10 KICE COc1ccc(CCN2C(=O)NC(=O)C(=Cc3ccc4c(c3)CCCN4Cc3ccccc3)C2=O)cc1OC 2296943342 MSZFFQVOACJUPL-UHFFFAOYSA-N 525.605 4.361 10 10 KICE CC[C@@H](CO)Nc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccccc2Cl)C1=O 97464709 FVGVMWPIAMWAGZ-ZVCOJXFSSA-N 515.060 4.241 10 10 KICE COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCCOc1ccc([N+](=O)[O-])cc1 101450703 GBWUASNCQXRMOT-KGENOOAVSA-N 582.363 4.490 10 10 KICE CN(C)c1ccc(/C=c2/s/c(=C/S(=O)(=O)c3ccc(Cl)cc3)n(CC(=O)c3ccc(Br)cc3)c2=O)cc1 102909548 OQJOWCBEZBJCJU-VUFZMPSASA-N 617.974 4.315 10 10 KICE CN1C(=O)C(=Cc2ccc(Sc3nc4ccc(N5C(=O)[C@@H]6CCCC[C@H]6C5=O)cc4s3)c([N+](=O)[O-])c2)C(=O)N(C)C1=O 103806124 WBWPRWWWMZMHHW-IAGOWNOFSA-N 605.654 4.469 10 10 KICE C[N+]1=C(/C=C/C=C2/N(CCCCCC(=O)NCCN3C(=O)C=CC3=O)c3ccc(S(=O)(=O)O)cc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21 230495613 LOVTXMZOYVAEPC-UHFFFAOYSA-O 739.893 4.026 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)cc3O)c(=O)n2[C@H]1c1ccccc1Cl 252676916 XVSUAWIMTNWRFS-DEOSSOPVSA-N 526.058 4.004 10 10 KICE CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 725442956 KQCDMSRADDCNMJ-MUUNZHRXSA-N 539.657 4.010 10 10 KICE CCC[C@H](NC(=O)CCc1ccc(Br)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861951600 GKTCAHGSLXXAGG-QHCPKHFHSA-N 502.453 4.024 10 10 KICE CCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(C)cc1)=C(N)O2 1864018358 JIPVXEMYUQSXFC-AREMUKBSSA-N 542.611 4.406 10 10 KICE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N2CCC(N4CCCCC4)CC2)[C@H]3c2ccc(O)c(O)c2)cc1 1865028465 VPZSZBOHQSFNFH-MHZLTWQESA-N 543.668 4.072 10 10 KICE CCN(CCc1ccncc1)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2CC)[C@@H]1c1ccc(O)c(O)c1 1865031214 BSBGELNOJOYNBP-DEOSSOPVSA-N 525.609 4.162 10 10 KICE CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1865031731 MZUBJOYBBCYEGY-VWLOTQADSA-N 540.620 4.266 10 10 KICE CCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(Cc3ccccc3)CC1)=C(N)O2 1865034985 IOFJUXULTFPSIR-XMMPIXPASA-N 502.615 4.053 10 10 KICE COc1cc(/C=C2\C(=O)N(Cc3ccccc3Cl)N=C2C(F)(F)F)ccc1OCCN1CCOCC1 1865665233 IJWITYHTBHEIRI-RGEXLXHISA-N 523.939 4.404 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCCCN3CCOCC3)C(=O)N([C@@H](C)c3ccccc3)C2=O)cc1 1873169326 JYMBYVWOHUOFMV-DEOSSOPVSA-N 512.654 4.247 10 10 KICE COc1ccc(CN2C(=O)C(=Cc3c(N4CCN(Cc5ccccc5)CC4)nc4ccccn4c3=O)SC2=S)cc1 2296706096 WYNXWYMNMRAXLU-UHFFFAOYSA-N 583.739 4.427 10 10 KICE Cc1ccc2nc(NCCCOC(C)C)c(C=C3SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(=O)n2c1 2314478984 ZZMKYUWAXGZLAE-UHFFFAOYSA-N 604.758 4.434 10 10 KICE CCOc1cc(/C=C2/C(=N)N3C(SCC)=NSC3=NC2=O)ccc1OS(=O)(=O)c1ccccc1 20205564 QVXDGNOLQKTSIG-OMLAYDHKSA-N 516.626 4.183 10 10 KICE CCOC(=O)c1ccc(NC(=O)CN2C(=O)/C(=C3/SC(=S)N([C@@H](C)CC)C3=O)c3ccccc32)cc1 33625580 HRCXSJNVBTUCQO-SKAIHHOBSA-N 523.636 4.219 10 10 KICE CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 100526656 DJZIJRVYZZFKCH-MKWGYRPRSA-N 558.616 4.033 10 10 KICE O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCCCC3)c2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 150451786 GSMZVLXHSILMSM-TURSSDGYSA-N 642.850 4.492 10 10 KICE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCc1ccc(Cl)cc1)[C@H]2c1ccc(O)c(O)c1 1864022791 RDHXDCSZODSUJE-SFHVURJKSA-N 536.938 4.430 10 10 KICE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CCO)=C(N)O2 1865029935 YTCIJEQHSGLIKY-OAQYLSRUSA-N 547.439 4.078 10 10 KICE O=C(N[C@@H](Cc1ccc(F)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(Cl)nn1 1867270113 IOBCFQWNPYRBIM-QFIPXVFZSA-N 528.927 4.024 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)CCc3csc(-c4ccncc4)n3)c3ccccc3)CC2)cc1 1868909705 ORPGPDFBLXCZFU-MUUNZHRXSA-N 541.677 4.353 10 10 KICE CCN(CC)CCN1C(=O)C(Nc2ccc(C(=O)OC)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873426366 ZXMYFCPCNBXBLO-UHFFFAOYSA-N 514.626 4.415 10 10 KICE COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)C1=Cc1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1 2294082214 SKZMPXVAWRRKRK-UHFFFAOYSA-N 542.997 4.297 10 10 KICE CCOCCCN1C(=O)C(=Cc2c(N3CCc4ccccc4C3)nc3c(C)cccn3c2=O)SC1=S 2296547615 MFVYPRIJUFIFHG-UHFFFAOYSA-N 520.680 4.193 10 10 KICE CC[C@H](C)N1C(=O)C(=Cc2c(N3CCN(c4ccc(OC)cc4)CC3)nc3c(C)cccn3c2=O)SC1=S 2296705136 VOBJOWIPUJZAKQ-IBGZPJMESA-N 549.722 4.338 10 10 KICE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(Br)cc1OC 2313561203 YZMXHUSGKHSYSE-UHFFFAOYSA-N 524.165 4.285 10 10 KICE CCOC(=O)COc1ccc(C=C2C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1Cl 2313574223 AMQZJFFPVVAZMG-UHFFFAOYSA-N 521.751 4.019 10 10 KICE CCCCCCN1C(=O)C(=Cc2c(N3C[C@@H](C)O[C@H](C)C3)nc3c(C)cccn3c2=O)SC1=S 2314401429 YGJNUTSESOEGKS-QZTJIDSGSA-N 500.690 4.398 10 10 KICE O=C(CCCN1C(=O)C(=Cc2ccccc2OC(F)F)SC1=S)Nc1ccc(O)cc1C(=O)O 2314936327 XKWFJBYNVALISP-UHFFFAOYSA-N 508.524 4.312 10 10 KICE COc1ccc(O)c(CN[C@@H]2C[C@H](C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)N(C3Cc4ccccc4C3)C2)c1 1616105570 LCRFDBIJLTVFHV-PDDLMNHVSA-N 594.678 4.468 10 10 KICE CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cc(C)ccc1C)=C(N)O2 1864014293 RGBKVBFEVAWLFD-VWLOTQADSA-N 525.609 4.259 10 10 KICE CN(CCO)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc3ccccc23)[C@@H]1c1ccc(O)c(O)c1 1865031297 DQCWXGVBLHPVCZ-SANMLTNESA-N 548.599 4.249 10 10 KICE NC1=C(C(=O)N2CCOCC2)[C@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3ccccc3Cl)c2O1 1865031804 OIALRXZTTAUHKW-HSZRJFAPSA-N 544.995 4.157 10 10 KICE CCc1ccc([C@H]2C(C(=O)N3CCN(c4ccc(OC)cc4)CC3)=C(N)Oc3c2c(C(F)(F)F)nn3C)cc1 1865499951 SOVCRSPDFYZGOO-OAQYLSRUSA-N 541.574 4.053 10 10 KICE O=C(Nc1ccc(F)c(F)c1)C(=O)N[C@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1 1866857831 STVVPKXSEPBDBA-VWLOTQADSA-N 539.494 4.175 10 10 KICE CCCCn1cc(OCC(=O)N(CCC)CCC)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870460177 DXNMWILLPZUDHM-UHFFFAOYSA-N 512.695 4.007 10 10 KICE Cc1ccc(S(=O)(=O)Oc2ccccc2C=C2C(=N)N3N=C(c4cccs4)SC3=NC2=O)cc1 2297458232 WIZMEMGUYYMQNX-UHFFFAOYSA-N 508.606 4.492 10 10 KICE CC[C@@H](C)N1C(=O)/C(=C\c2c(N3CCN(c4ccccc4OC)CC3)nc3ccc(C)cn3c2=O)SC1=S 103718793 JGPXLHXYGTUGOU-KMYAOZERSA-N 549.722 4.338 10 10 KICE COc1cccc([C@H]2N[C@](Cc3c[nH]c4ccccc34)(C(=O)O)[C@@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)[C@H]23)c1O 104879974 QIPGJHDVDQKEKK-OODISRMCSA-N 579.531 4.417 10 10 KICE CCn1c(N2CCN(c3ccccc3F)CC2)c(/C=C2\SC(=S)N(CC(C)C)C2=O)c(C)c(C#N)c1=O 110523055 CESLXWAAZHMIOD-UCQKPKSFSA-N 539.702 4.371 10 10 KICE Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1nc3ccccc3[nH]1)=C(N)O2 1864009115 ZOLOUMTUSSMQSJ-XMMPIXPASA-N 542.983 4.133 10 10 KICE CCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCCCC1)=C(N)O2 1864018134 DCFUEQBHEKSGKE-HSZRJFAPSA-N 503.603 4.165 10 10 KICE CC[C@@](C)(NC(=O)CCCc1ccc2c(c1)OCCO2)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866788506 AHMJVOWSTWCYAS-WJOKGBTCSA-N 526.589 4.480 10 10 KICE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@@H](Cc3ccccc3)NC(=O)c3n[nH]c4c3CCCC4)cccc21 1866852042 VSUGBOQGGICIGY-RUZDIDTESA-N 518.573 4.044 10 10 KICE COCCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCN(c3ccccc3NC(C)=O)CC2)n1 1868254116 DXFZSKVYDFWXGR-UHFFFAOYSA-N 576.657 4.470 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)C[C@@H](c3ccc4c(c3)OCCO4)C3CC3)CC2)cc1 1868692608 CVGQXTVMEQWSEJ-IHLOFXLRSA-N 569.702 4.426 10 10 KICE CCOc1ccc(-c2nc(N3CCN(c4ccc(OC)cc4)CC3)cc(N3CCc4ccc(S(N)(=O)=O)cc4C3)n2)cc1 1869327028 XADPLTVJEPFEMG-UHFFFAOYSA-N 600.745 4.088 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCCCc3nc4ccccc4[nH]3)C(=O)N(C[C@@H]3CCCO3)C2=O)cc1 1873168596 BEFMFZGFRRDACW-DEOSSOPVSA-N 523.637 4.452 10 10 KICE CCOC(=O)c1ccccc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCN(C)C)C1=O 1873421134 IMPBMLMAZSMGLW-UHFFFAOYSA-N 514.626 4.415 10 10 KICE CCOC(=O)[C@H](c1ccccc1)N1C(=O)C(=Cc2ccc(OCC(=O)N(CC)CC)cc2)SC1=S 2314766581 AZNIBFOEMZUYSN-QHCPKHFHSA-N 512.653 4.439 10 10 KICE CCn1c(N2C[C@H](C)O[C@H](C)C2)c(/C=C2/SC(=S)N(CCCc3ccccc3)C2=O)c(C)c(C#N)c1=O 105673175 ATLOHPOPMVGTTA-GLXMVNEWSA-N 536.723 4.496 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccccc3OCc3ccccc3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 254382523 ZXOHHZASOHCEAU-GDLZYMKVSA-N 553.684 4.443 10 10 KICE CCN(CCc1ccncc1)C(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1 1865027894 NESBPIVAIWFVME-AREMUKBSSA-N 525.609 4.081 10 10 KICE CSCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N([C@H](CC(C)C)C(=O)O)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867477108 LVBBXJTUPSTJFN-FRXPANAUSA-N 665.857 4.043 10 10 KICE CN(C)c1ccc([C@H](CNC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)N2CCCCC2)cc1 1867790420 WBBXIIBLCKSECJ-DITALETJSA-N 628.774 4.182 10 10 KICE CC[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867883165 QILYVJYWHGVXRJ-VWNXMTODSA-N 516.042 4.166 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)/C=C/c4ccc(OC)c(OC)c4)n(C(C)(C)C)n3)CC2)cc1 1869971116 XRNBPQWLDMLTHP-RIYZIHGNSA-N 520.634 4.037 10 10 KICE CCCn1cc(OCC(=O)Oc2ccc(CC)cc2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870474103 SKTHSMINMRTLSG-UHFFFAOYSA-N 519.642 4.136 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCCCCN(C)C)C(=O)N(CCc3ccc(F)cc3)C2=O)cc1 1873167713 UKGUUFXKTGXHLK-UHFFFAOYSA-N 502.634 4.487 10 10 KICE CCOc1cc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc(Br)c1O 2294259197 RMNJWTNBCFTKHF-UHFFFAOYSA-N 526.206 4.147 10 10 KICE Cc1cccn2c(=O)c(C=C3SC(=S)N([C@@H](C)c4ccccc4)C3=O)c(NCCCN3CCOCC3)nc12 2297312870 WHZQAKMTFFTIGQ-FQEVSTJZSA-N 549.722 4.100 10 10 KICE Cc1cc(C=C2C(=O)N(C)c3ccc(S(=O)(=O)N4CCOCC4)cc32)c(C)n1-c1ccc(N2CCCC2)c([N+](=O)[O-])c1 2297509111 XPZSYROVXJLAIQ-UHFFFAOYSA-N 591.690 4.140 10 10 KICE CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)C=Cc3ccc(N4CCOCC4)c([N+](=O)[O-])c3)cc2Cl)CC1 2313806146 GDFDWPGNSYIYAK-UHFFFAOYSA-N 556.063 4.431 10 10 KICE CCOCCCN1C(=O)/C(=C/c2c(NCCc3ccccc3)nc3c(C)cccn3c2=O)SC1=S 33780917 DGCDMDHRAPNPPL-FXBPSFAMSA-N 508.669 4.285 10 10 KICE CC(C)(C)C(=O)OC[C@H]1O[C@H](N=[N+]=[N-])[C@@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C 105509489 ZRIINKFKQWXADE-FPSMNIFISA-N 541.642 4.485 10 10 KICE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3N3CCOCC3)[C@@H]2c2ccc(O)c(O)c2)cc1OC 526501365 OOMKEZLQVMOSNA-HHHXNRCGSA-N 518.566 4.399 10 10 KICE O=C1c2ccccc2C(=O)c2cc(NC(=O)C3CCN(C(=O)c4cc5ccccc5oc4=O)CC3)ccc21 1860597377 YHYYYCYPVKSNBS-UHFFFAOYSA-N 506.514 4.059 10 10 KICE Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccncc1)=C(N)O2 1864007339 KXILVSYASYLCKI-QFIPXVFZSA-N 538.391 4.305 10 10 KICE COc1ccc(C(=O)N[C@@H](Cc2ccc(OC(C)=O)cc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1OC 1867305080 PHTPUCHXSBWDDR-CONSDPRKSA-N 616.759 4.380 10 10 KICE Cc1nc2ccc(C(=O)NC(C)(C)C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2nc1C 1867687445 YIYTUCZFWAGYBD-HHHXNRCGSA-N 516.690 4.164 10 10 KICE CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(C)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867876163 YSZIBWHNTSGCQV-AHWVRZQESA-N 541.718 4.164 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3ccc4c(c3)C(=O)N(CCC(C)C)C4=O)c3ccccc3)CC2)cc1 1868616556 ZFXBUAFPSKSLMJ-GDLZYMKVSA-N 568.674 4.157 10 10 KICE CC[C@H](NC(=O)Cc1nc(-c2ccc(Cl)cc2)oc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868649655 ZXCHDLOJBQKIIL-QHCPKHFHSA-N 511.022 4.098 10 10 KICE [N-]=[N+]=NCC1(CNC(=O)c2cc(I)cc(I)c2I)CC1 2174356673 WUDCJQWUSPCEFL-UHFFFAOYSA-N 607.959 4.321 10 10 KICE O=C(O)CCCCCNC(=O)CCN1C(=O)C(=Cc2cc(Br)cc(Br)c2O)SC1=S 2314828675 VFTWPTRTNRQTSQ-UHFFFAOYSA-N 580.320 4.270 10 10 KICE O=C(O)CC[C@@H](C(=O)O)N1C(=O)/C(=C/c2cc(Br)ccc2OCC(=O)Nc2ccc(F)cc2)SC1=S 101965261 SZZFSDMXIRMSKX-PMFHANACSA-N 597.440 4.125 10 10 KICE CCc1cccc(CC)c1N1C(=O)[C@@H]2[C@H](c3ccc(N(C)C)cc3)N[C@@](Cc3ccc([N+](=O)[O-])cc3)(C(=O)O)[C@@H]2C1=O 106551021 CRSOHDJFGBFGHA-GZNUUUAQSA-N 570.646 4.302 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 254705364 WSKFHMXEGDMDMD-MHZLTWQESA-N 527.646 4.026 10 10 KICE COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCCCCc2ccccc2)[C@H]3c2ccc(O)c(O)c2)cc1 1864006947 BFPKDZUDPHGOIW-MHZLTWQESA-N 540.620 4.434 10 10 KICE CCCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1)=C(N)O2 1864012624 FNKSWYQAVPHUGX-RUZDIDTESA-N 528.584 4.445 10 10 KICE CSCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccc3c(c1)OCO3)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867448616 AJROJJXDFJLLDE-CONSDPRKSA-N 685.847 4.472 10 10 KICE CCC[C@H](NC(=O)[C@@H](Cc1ccccn1)c1ccccc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868663832 KKKFCZXVMBSHDQ-NSOVKSMOSA-N 500.643 4.050 10 10 KICE CC[C@@H](CC(=O)N[C@@H](C)C(=O)N1CCN(c2ccc(OC)cc2)CC1)c1cc(Br)ccc1OC 1868964392 QLSOFRWCBXERGC-OALUTQOASA-N 532.479 4.204 10 10 KICE COc1ccc(N2CCN(c3nc(=NCc4ccc(F)cc4)[nH]c(=Nc4cc(C)cc(C)c4)[nH]3)CC2)cc1 1871548494 IMTWANBBFMZAGV-UHFFFAOYSA-N 513.621 4.162 10 10 KICE CCCOC(=O)c1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCOC)C2=O)c1 1873419893 DDMAYBXYDWUJIS-UHFFFAOYSA-N 501.583 4.499 10 10 KICE CC=CC(=O)N1c2ccc(OC)cc2C(=C2SC(C(=O)OC)=C(C(=O)OC)S2)C(=S)C1(C)C 2293382704 VHYIRJKTAOFMQU-UHFFFAOYSA-N 505.639 4.473 10 10 KICE O=C(COc1ccc(Cl)cc1Cl)NN1C(=O)C(=C2C(=O)Nc3ccc(Br)cc32)SC1=S 2296947645 PIXWZLKNRMEPFW-UHFFFAOYSA-N 559.250 4.390 10 10 KICE O=C1C(=C2SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c2ccccc2N1CN1CCOCC1 2313617600 ALJSXLUQOGGDRW-UHFFFAOYSA-N 506.436 4.406 10 10 KICE O=C(CN1C(=O)C(=Cc2cc(Br)cc(Br)c2O)SC1=S)Nc1ccc(O)cc1 2314827465 FPBDTDWUMVPSAI-UHFFFAOYSA-N 544.246 4.463 10 10 KICE CN1C(=O)/C(=C/c2cn(Cc3cccc(F)c3)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 101378715 LUUICMDWVSRLON-WGOQTCKBSA-N 531.609 4.367 10 10 KICE O=C(O)CCNC(=O)c1ccc(/N=N/c2ccc(C(=O)O)c(O)c2/N=N/c2ccc(C(=O)NCCC(=O)O)cc2)cc1 503983716 MTGQYMBPHNEVAH-RRPBDJRISA-N 576.522 4.330 10 10 KICE in-vitro Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cn(C)c3ccccc13)=C(N)O2 1864006919 ANXGUVHRNUBYIN-MHZLTWQESA-N 535.604 4.137 10 10 KICE CCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccccc1)=C(N)O2 1864019458 ZBUFUQODEQOBTO-RUZDIDTESA-N 528.584 4.098 10 10 KICE CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(C(=O)OC(C)C)cc1)=C(N)O2 1864021197 MUINJHUOOHPVMG-XMMPIXPASA-N 548.640 4.089 10 10 KICE CCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOc3ccccc31)=C(N)O2 1865033306 WOQVDSFLVSJHMI-AREMUKBSSA-N 538.604 4.334 10 10 KICE COc1ccc(C2=NN(Cc3cccc(F)c3)C(=O)/C2=C/c2ccc(OCCN3CCOCC3)c(OC)c2)cc1 1865665495 WSGRNDJWAZZBTR-ZXVVBBHZSA-N 545.611 4.384 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)c3sc(C)nc3C(C)C)CC2)cc1 1868976261 AEURBSUJEXPTIH-XMMPIXPASA-N 506.672 4.273 10 10 KICE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccc(C)cc4)cn3CCCN(C)C)CC2)cc1 1870768788 OWPYAKDNMSCBKP-UHFFFAOYSA-N 504.675 4.018 10 10 KICE COc1ccc(CCNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCCN(C)C)C2=O)cc1 1873166447 QEAAJHKDCAEHFW-UHFFFAOYSA-N 514.670 4.357 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccccc3N3CCOCC3)C(=O)N(CCCN(C)C)C2=O)cc1 1873421387 VHDUILVDBJPTOG-UHFFFAOYSA-N 527.669 4.074 10 10 KICE CS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OCc4ccc(Cl)c(Cl)c4)cc3)C(=N)N21 2297345239 FJJAXHYZKNRZOE-UHFFFAOYSA-N 509.396 4.194 10 10 KICE O=C(O)C[C@@H](C(=O)O)N1C(=O)/C(=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(Cl)cc2)SC1=S 101965095 MBFQVOHVKKYMAG-QTISIFFUSA-N 555.417 4.140 10 10 KICE COc1ccc(N2CCN(c3cc(C(=O)O)c4cc(NS(=O)(=O)c5cccs5)ccc4n3)CC2)cc1 102314323 POFHEDUAIXOFCV-UHFFFAOYSA-N 524.624 4.131 10 10 KICE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C4CCCC4)C3=O)c(N3CCN(c4ccccc4)CC3)nc12 102618867 LEIPPVIWMVVTJW-PTGBLXJZSA-N 531.707 4.473 10 10 KICE COc1ccc(CCN2C(=O)/C(=C/c3c(C)c(C#N)c(=O)n(C)c3N3CCN(Cc4ccccc4)CC3)SC2=S)cc1OC 110519205 XNUMDUXMDCAOHW-CEUNXORHSA-N 629.808 4.349 10 10 KICE Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(CCNC(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1 1859004396 SGNZVIXHSVDYMW-UHFFFAOYSA-N 508.383 4.025 10 10 KICE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN(CC)CC)=C(N)O2 1864010420 MWOMDHJDWUZRAL-RUZDIDTESA-N 533.673 4.169 10 10 KICE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(OC)cc1)=C(N)O2 1864011202 RRCLSBGEGJYVTB-AREMUKBSSA-N 540.620 4.298 10 10 KICE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](C)C1)=C(N)O2 1865030729 PLCGIYSNFJVPMR-XDHUDOTRSA-N 520.605 4.387 10 10 KICE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](C)C1)=C(N)O2 1865032793 KUJIOLBNMPXYTG-NYHFZMIOSA-N 509.006 4.452 10 10 KICE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(-c5ccccc5)nn4C)[C@@H]3c3cccc(C)c3)CC2)cc1 1865563999 CRNTXZFBHDZXGO-SANMLTNESA-N 535.648 4.448 10 10 KICE CSCC[C@H](NC(=O)CCCc1ccc2c(c1)OCCO2)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866789295 KPSDYRUQVJDKMX-DEOSSOPVSA-N 558.656 4.433 10 10 KICE CCCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(C(C)C)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867432153 IMDWVXPEBHJSMY-URLMMPGGSA-N 575.754 4.389 10 10 KICE CC(=O)Nc1cccc(C(=O)N[C@H](Cc2ccccc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867638615 IUXRMJZLPQJFLL-JSOSNVBQSA-N 555.723 4.396 10 10 KICE CCCCN=c1nc(Nc2ccc(N(CC)CC)cc2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871699106 OFAIXGAZGOWUPI-UHFFFAOYSA-N 504.683 4.431 10 10 KICE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1 2293115924 OVLGWYCLMFOZST-FQEVSTJZSA-N 525.677 4.326 10 10 KICE COc1cc(/C=C2/C(=N)N3C(SC)=NSC3=NC2=O)cc(OC)c1OCCOc1ccccc1C 20205517 FLEXNKQDKDKCGX-HPFDFQMNSA-N 512.613 4.410 10 10 KICE COc1ccc(/C=C2\SC(=O)N(CCC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2=S)cc1 33326803 KNCBQUXCLHBOAL-HKWRFOASSA-N 508.625 4.359 10 10 KICE CCCn1c(NCc2ccc(F)cc2)c(/C=C2\SC(=S)N(CCCOC)C2=O)c(C)c(C#N)c1=O 40066861 RMSBBXTWAMAIIT-BKUYFWCQSA-N 514.648 4.427 10 10 KICE CCc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@](C(=O)O)(c2ccccc2)N[C@H]3c2cc(Br)ccc2O)cc1 252012394 SWSBHDDBZPQGLN-GIRPNKPCSA-N 535.394 4.147 10 10 KICE O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cc2c(cc1[N+](=O)[O-])OCO2 1084192477 CJKFZCZRERULPC-ODCIPOBUSA-N 515.522 4.458 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(N(C)C)cc1 1084421071 QTCGPZYQKHBJFG-PMERELPUSA-N 628.707 4.360 10 10 KICE CCOc1cc(-c2nc3s/c(=C\c4ccc(N(CC)CC)cc4)c(=O)n3n2)cc(OCC)c1OCC 1860793321 IFUVZUVLQWYWLL-HAHDFKILSA-N 508.644 4.408 10 10 KICE COc1ccccc1CNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(Cl)cc2)[C@H]1c1ccc(O)c(O)c1 1864007453 NDRYPJGJNGZRST-XMMPIXPASA-N 532.984 4.265 10 10 KICE Cc1ccc(C)c(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)NCC(C)C)[C@@H]3c2ccc(O)c(O)c2)c1 1864015321 ONJRZQIIXBGLOQ-HXUWFJFHSA-N 530.547 4.445 10 10 KICE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NCCc1ccc(C)cc1)[C@H]2c1ccc(O)c(O)c1 1864016957 AVFCOBHSXFJZGS-VWLOTQADSA-N 540.620 4.352 10 10 KICE CCc1nn(CC)c2c1[C@@H](c1ccccc1OC(C)C)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865459540 ZMXBXNLPSJFXHX-AREMUKBSSA-N 545.684 4.305 10 10 KICE COc1ccc(CCN2C(=O)c3ccc(C(=O)N[C@H](C)C(=O)NC[C@@H](c4ccc(N(C)C)cc4)N4CCCCC4)cc3C2=O)cc1 1867493778 BKRDEDYKYYSZIN-QNLPTKCRSA-N 625.770 4.062 10 10 KICE CN(C)c1ccc([C@@H](CNC(=O)[C@@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c2ccccc2)N2CCCCC2)cc1 1867832943 SZGUDRAPGDBVPF-IZLXSDGUSA-N 574.638 4.384 10 10 KICE CC[C@@](C)(NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867846661 AGAFKKPGIGPFNF-LBNVMWSVSA-N 554.648 4.119 10 10 KICE CCC[C@H](NC(=O)Cc1nc(-c2ccccc2C)oc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868632879 NJCRDLGSYDHDFN-VWLOTQADSA-N 504.631 4.143 10 10 KICE COc1ccc(CN2C(=O)C(NC[C@@H]3CCCO3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1OC 1873166311 LFJREKBMAAEIIH-DEOSSOPVSA-N 515.610 4.160 10 10 KICE COC(=O)c1ccccc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(C2CCN(C)CC2)C1=O 1873427138 DNSOKVZNVPYXED-UHFFFAOYSA-N 512.610 4.167 10 10 KICE CCOc1c(I)cc(C=C2C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)cc1OC 2294259182 QPNRQSQHSHHCSX-UHFFFAOYSA-N 587.233 4.292 10 10 KICE CCOc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC(C)C)ccc1OC(=O)c1cccs1 2297345573 IRGJSVAWWIWPFP-UHFFFAOYSA-N 546.652 4.013 10 10 KICE CC[C@@H](C)N1C(=O)/C(=C\c2c(N3CCN(c4ccccc4OC)CC3)nc3ccccn3c2=O)SC1=S 102434351 ONUMBXUTDGJCCM-YMNYDYPGSA-N 535.695 4.029 10 10 KICE CCn1c(N2C[C@H](C)O[C@H](C)C2)c(/C=C2/SC(=S)N(Cc3ccc(OC)cc3)C2=O)c(C)c(C#N)c1=O 105675703 AQBYRHDMXJBUOX-BGONGROMSA-N 538.695 4.072 10 10 KICE CCCOc1ccc([C@@H]2N[C@](CCSC)(C(=O)O)[C@H]3C(=O)N(Cc4ccc5c(c4)C(=O)c4ccccc4C5=O)C(=O)[C@H]32)cc1 253371375 BBEVPNZXTMUCNS-UYICUSKSSA-N 612.704 4.273 10 10 KICE Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCC(C)C)=C(N)O2 1864007237 IFLVUBDPJIUMDI-HXUWFJFHSA-N 503.386 4.366 10 10 KICE Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCc1ccccc1)=C(N)O2 1864007313 KHTXXJJIXASZGT-SANMLTNESA-N 510.594 4.426 10 10 KICE Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)NCc2ccncc2)[C@H]3c2ccc(O)c(O)c2)cc1 1864016015 YRPUPEUKLBEAEN-FQEVSTJZSA-N 537.498 4.017 10 10 KICE CC(C)CCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2F)[C@H]1c1ccc(O)c(O)c1 1864023480 ZJSJRMAFLLAPKD-LJQANCHMSA-N 534.510 4.357 10 10 KICE COc1ccc(N2CCN(C(=O)c3cc(O)c4cc(Br)cc(I)c4n3)CC2)cc1 1866531915 YNUZZUFYCNHVCA-UHFFFAOYSA-N 568.209 4.279 10 10 KICE CN(C)c1ccc([C@H](CNC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)N2CCCCC2)cc1 1867831620 WEFLCEUOEAGLGA-VMPREFPWSA-N 606.655 4.393 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)Cc3nc(-c4ccccc4Cl)oc3C)C(C)C)CC2)cc1 1868646086 GXLXLZNNQLIAQJ-SANMLTNESA-N 525.049 4.344 10 10 KICE O=C(CCN1C(=O)C(=Cc2ccccc2)SC1=S)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 2297243980 YEJDQJWZPSNLOU-UHFFFAOYSA-N 530.678 4.174 10 10 KICE CC(NCCCCN[C@H](C)[C@H]1N=C(c2ccc(Cl)cc2)OC1=O)=C1N=C(c2ccc(Cl)cc2)OC1=O 2297454747 IPFLJLUJCGYYEL-QVKFZJNVSA-N 529.424 4.248 10 10 KICE NS(=O)(=O)c1ccc(NC(=O)CCN2C(=O)C(=Cc3ccc(-c4ccccc4)cc3)SC2=S)cc1 2314828208 RIWWDYIWLQXSAN-UHFFFAOYSA-N 523.661 4.231 10 10 KICE COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C(C)(C)C)cc3)C2=O)ccc1OCCC(=O)O 16912060 AJWPCJSYLUMPGL-XSFVSMFZSA-N 514.625 4.392 10 10 KICE CN(Cc1ccccc1)C(=O)C[C@@H]1CCN2C[C@@H]1/C=C/COc1ccc(N(C)CCc3ccccn3)cc1CNCC2=O 100035286 MBKNHUNOXYQMQU-RQJHXWCTSA-N 581.761 4.312 10 10 KICE Cc1c(N2C(=O)/C(=C\c3c(N4CCc5ccccc5C4)nc4ccccn4c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C 101011773 JYGWHAJGOMIHFT-XIEYBQDHSA-N 606.733 4.461 10 10 KICE Cc1cc(C(=O)COC(=O)CNS(=O)(=O)/C=C\c2ccccc2)c(C)n1-c1ccc(Br)cc1 103063194 DTEHDPQHHAMTCV-SEYXRHQNSA-N 531.428 4.173 10 10 KICE COc1ccc([C@H]2C3=C(N=c4sc(=Cc5ccc(N(C)C)cc5)c(=O)n42)c2ccccc2CC3)cc1OC 263622602 UJUOEOWPPWUISA-LJAQVGFWSA-N 523.658 4.402 10 10 KICE CC[C@H](NC(=O)c1ccc2nc(Cc3ccccc3)[nH]c2c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861894760 AJEUZYAHFHHKJT-VWLOTQADSA-N 511.626 4.020 10 10 KICE CCc1ccc([C@@H](C)NC(=O)C2=C(N)Oc3c(c(C)nn3-c3ccccn3)[C@@H]2c2ccc(O)c(O)c2)cc1 1864009906 NBRKNKJIHBAATK-CPJLOUKISA-N 511.582 4.121 10 10 KICE CCCCC[C@H](CC)NC(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccccn2)[C@H]1c1ccc(O)c(O)c1 1864019384 XXQSMJKYMYAJDB-FDDCHVKYSA-N 505.619 4.411 10 10 KICE Cc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)C1CCCCC1)=C(N)O2 1865026256 LDDDCYFXYGELIP-DEOSSOPVSA-N 506.578 4.276 10 10 KICE CCN(CC)C(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2CC(C)C)[C@H]1c1ccc(O)c(O)c1 1865032368 AWXZKIVDHNUFLG-JOCHJYFZSA-N 506.603 4.189 10 10 KICE CCCc1nn(CC)c2c1[C@@H](c1cccc(F)c1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865547081 BHTYKSPTDNVFCO-XMMPIXPASA-N 519.621 4.047 10 10 KICE O=C(CC[C@@H]1CCS(=O)(=O)C1)N[C@H](CSCc1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866927190 MCHKFLCGFBVULE-QFQXNSOFSA-N 590.723 4.034 10 10 KICE CC[C@](C)(NC(=O)c1c(OC)cccc1OC)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867366619 QYDIJRVUJHFQKQ-BTYSJIOQSA-N 510.679 4.012 10 10 KICE CCC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccn1)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867477066 IRFMXTVZBDLCBQ-JSOSNVBQSA-N 610.759 4.186 10 10 KICE C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867738879 KJBUOEFQBRTDDK-SKCUWOTOSA-N 604.217 4.042 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCN(Cc5ccccc5)CC4)nc(C(C)(C)C)n3)CC2)cc1 1867968786 CZQCIMCGPVFODA-UHFFFAOYSA-N 500.691 4.432 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3nc(CC(C)C)n4ccccc34)c3ccccc3)CC2)cc1 1868779175 DYVAIWVIIIKAOS-MUUNZHRXSA-N 525.653 4.361 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)Cc3ccc4nc(O)c(C)cc4c3)c3ccccc3)CC2)cc1 1868814011 GDCOPWJUTFOUIY-LJAQVGFWSA-N 524.621 4.006 10 10 KICE COCCCN1[C@@H](C)CN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(C(C)(C)C)n2)C[C@H]1C 1869184374 PBKKFGIMTQVEPS-ZRZAMGCNSA-N 510.727 4.045 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)/C=C4\CCc5ccc(OC)cc54)n(C(C)(C)C)n3)CC2)cc1 1869969980 BVWNLTOQXXYXKJ-DYTRJAOYSA-N 516.646 4.345 10 10 KICE CCCOc1cn(CCc2ccc(OC)c(OC)c2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870655082 ORYMWQFXRJGCOL-UHFFFAOYSA-N 521.658 4.228 10 10 KICE CC(=O)NCCn1cc(OCC(=O)OC(C)(C)C)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870868737 ABEBRZICJVUJIH-UHFFFAOYSA-N 506.603 4.061 10 10 KICE CC(C)N1C(=O)C(=Cc2cc(I)c(O)c(I)c2)SC1=S 2314457898 MSRVZIVQWPHWHR-UHFFFAOYSA-N 531.178 4.211 10 10 KICE CCN(CCN=[N+]=[N-])C(=O)c1cc(I)cc(I)c1I 2337779617 ODAFEGAWXKCAPX-UHFFFAOYSA-N 595.948 4.273 10 10 KICE O=C(O)CCN1C(=O)/C(=C\c2ccccc2OCCOc2ccccc2/C=C2/SC(=S)N(CCC(=O)O)C2=O)SC1=S 159217391 BVMTUTHCMHYCMV-YHARCJFQSA-N 644.774 4.496 10 10 KICE CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 254797669 LUALQZHHEXBQBW-GDLZYMKVSA-N 553.684 4.400 10 10 KICE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3N3CCOCC3)[C@H]2c2ccc(O)c(O)c2)cc1OC 526501369 OOMKEZLQVMOSNA-MHZLTWQESA-N 518.566 4.399 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)c(O)c(Br)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 1084350465 BAXKGEATTZQRSU-OAQYLSRUSA-N 621.351 4.095 10 10 KICE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1F)=C(N)O2 1864011153 QTCCMQFLLOZMKH-VWLOTQADSA-N 544.583 4.395 10 10 KICE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccncc1)=C(N)O2 1864013542 YCSRORNIQRWIRX-RUZDIDTESA-N 525.609 4.010 10 10 KICE CCCn1nc(CC)c2c1OC(N)=C(C(=O)NCc1ccccc1OC(C)(C)C)[C@H]2c1ccc(O)c(O)c1 1864022839 YREGUVWHTXFQAA-QHCPKHFHSA-N 520.630 4.455 10 10 KICE C[C@@H]1CCCCN1C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@H]1c1ccc(O)c(O)c1 1865032156 WYQKXNSCMVIDHK-AUUYWEPGSA-N 514.504 4.398 10 10 KICE O=C(Nc1ccc(F)c(F)c1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866856835 BKWSGMYYJSNZLG-VWLOTQADSA-N 571.511 4.184 10 10 KICE CN(C)c1ccc([C@H](CNC(=O)c2ccc3c(c2)C(=O)N([C@@H](Cc2ccccc2)C(=O)O)C3=O)N2CCCCC2)cc1 1868025474 QJNSZJXFFHTYLC-VMPREFPWSA-N 568.674 4.002 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)/C(C)=C/c3ccccc3Cl)CC2)cc1 1868745353 HXRGNJLYRSXNNL-QIDLBESASA-N 502.080 4.339 10 10 KICE CCOCCOC(=O)COc1cn(C[C@@H]2CCCO2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871120991 SZZTZIFDHANYIK-SANMLTNESA-N 521.614 4.342 10 10 KICE CCCn1c(C(=O)NCc2ccc(OC)cc2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873575524 JDBRPIKCMPPNBX-UHFFFAOYSA-N 514.630 4.115 10 10 KICE [N-]=[N+]=NC1CCN(C(=O)c2cc(I)cc(I)c2I)CC1 1912143862 LMJXKFGNQLIGAC-UHFFFAOYSA-N 607.959 4.415 10 10 KICE CCOc1c(I)cc(C=C2C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1OC 2313549520 YFDUDGJGQVBKIO-UHFFFAOYSA-N 585.192 4.436 10 10 KICE CCCNc1nc2ccc(C)cn2c(=O)c1C=C1SC(=S)N(CCc2ccc(OC)c(OC)c2)C1=O 2314414343 WQFYIOIGTRWKBE-UHFFFAOYSA-N 524.668 4.286 10 10 KICE Cc1c(N2C(=O)C(=Cc3c(NC[C@H](O)c4ccccc4)nc4ccccn4c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C 2314476880 XMBQQAMYEYVJRM-QHCPKHFHSA-N 610.721 4.044 10 10 KICE Cc1cccc(C)c1NC(=O)CN1C(=O)/C(=C2/SC(=S)N(C[C@H]3CCCO3)C2=O)c2ccccc21 2533633 MNNBQARFECTKIA-IJCFDHGGSA-N 507.637 4.039 10 10 KICE CCN1C(=c2sc(=C3C(=O)N(c4ccccc4)N=C3Nc3ccccc3)n(CC)c2=O)Sc2ccc(OC)cc21 6135691 SAFMSMPLAAEAMO-UHFFFAOYSA-N 569.712 4.259 10 10 KICE CC(C)(C)c1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 15040118 GPXSOOWUZAGUAF-HKWRFOASSA-N 517.698 4.252 10 10 KICE CCN1CCN(c2c(/C=C3/SC(=S)N([C@@H](C)c4ccccc4)C3=O)c(C)c(C#N)c(=O)n2CC)CC1 33479161 QMJISXBODJWELR-LKZQPVPRSA-N 521.712 4.153 10 10 KICE CCCn1c(NCCc2ccccc2)c(/C=C2\SC(=S)N(CCCOC)C2=O)c(C)c(C#N)c1=O 40066720 HTMAFHYTFHSJLJ-JWGURIENSA-N 510.685 4.331 10 10 KICE O=C1/C(=C\c2c(N3CCN(c4ccccc4F)CC3)nc3ccccn3c2=O)SC(=S)N1C1CCCC1 100880611 DCXMORDPPKZCCI-OQKWZONESA-N 535.670 4.304 10 10 KICE CCc1ccc(N2NC(=O)/C(=C\c3ccc(-c4ccc(S(=O)(=O)Nc5nccs5)cc4)o3)C2=O)cc1 103747886 PTVQPHPDSPDXHB-RCCKNPSSSA-N 520.592 4.228 10 10 KICE COc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3nonc3-c3ccc(OC)cc3C)C2=O)cc1 207314961 MBWRSZAGQRNCOW-CPNJWEJPSA-N 510.597 4.292 10 10 KICE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)c3ccc4nc(-c5ccccc5F)[nH]c4c3)CC2)cc1 1862094428 JQRCGFUAQXLXSK-UHFFFAOYSA-N 515.589 4.235 10 10 KICE COc1ccc([C@@H](C)NC(=O)C2=C(N)Oc3c(c(C)nn3Cc3cccc(F)c3)[C@H]2c2ccc(O)c(O)c2)cc1 1864011677 JWTWZRBGXYKJLV-AKJBCIBTSA-N 544.583 4.371 10 10 KICE CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cc(C)ccc1C)=C(N)O2 1864014292 RGBKVBFEVAWLFD-RUZDIDTESA-N 525.609 4.259 10 10 KICE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCc1ccc(OC)cc1)[C@H]2c1ccc(O)c(O)c1 1864015479 AEDTZIXCQSUMJY-VWLOTQADSA-N 540.620 4.433 10 10 KICE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@H](C)C1)=C(N)O2 1865029777 VFEUQGJHUPHWGD-VBURHUQHSA-N 539.032 4.220 10 10 KICE CCCC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867689769 JNGKSXHBHKLVRR-LOYHVIPDSA-N 648.270 4.059 10 10 KICE CCOC(=O)CCN(C)c1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(-c2ccc(OCC)cc2)n1 1867992671 DTLUSNCCHYGMNL-UHFFFAOYSA-N 519.646 4.267 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)[C@@H](c3ccc(OC)c(OC)c3)C(C)C)CC2)cc1 1868864683 YWRZCFYCPGTOAL-SHQCIBLASA-N 543.730 4.039 10 10 KICE COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCO[C@@H](c3ccc(Cl)cc3)C2)n1 1869117534 FSRXFIRKPRIVIF-RUZDIDTESA-N 524.065 4.232 10 10 KICE CCc1nc(N2CCN(CCCc3ccccc3OC)CC2)cc(N2CCN(c3ccc(OC)cc3)CC2)n1 1869126184 KJTBVADCNGJUJM-UHFFFAOYSA-N 530.717 4.138 10 10 KICE Cc1ccc2nc(NCc3ccc4c(c3)OCO4)c(C=C3SC(=S)N(CC(C)C)C3=O)c(=O)n2c1 2296541972 ZFNDUFKENXCLOJ-UHFFFAOYSA-N 508.625 4.201 10 10 KICE Cc1cccn2c(=O)c(C=C3SC(=S)N(CCc4ccccc4)C3=O)c(N3C[C@@H](C)O[C@H](C)C3)nc12 2296698657 ACXMVWKPNPMNQX-RTBURBONSA-N 520.680 4.060 10 10 KICE CCCCOc1c(I)cc(C=C2C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1OC 2297109174 ANTXHJKQHYHQFI-UHFFFAOYSA-N 534.350 4.454 10 10 KICE CCN(CC)C(=O)COc1ccc(C=C2SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)cc1OC 2314764867 OCSPWDAVIKPSDQ-UHFFFAOYSA-N 578.510 4.251 10 10 KICE CC(=O)O[C@@H]1[C@H](C)[C@@H](O)C=CO[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(O)c4c3C2=O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@H]1C 936069898 OBIXNJCNRZELPA-BUQVCNIBSA-N 683.751 4.100 10 10 KICE in-vitro COc1ccc([C@H](C)NC(=O)C2=C(N)Oc3c(c(C)nn3-c3ccc(OC)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1 1864007232 IEBBMDLZTSTITI-QMTYFTJSSA-N 542.592 4.181 10 10 KICE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccccc1)=C(N)O2 1864012432 ZTLLRFSGOZVYTQ-RUZDIDTESA-N 531.012 4.358 10 10 KICE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NCCc1cccs1)[C@@H]2c1ccc(O)c(O)c1 1864017548 OTUNIKLYQJSSDJ-JOCHJYFZSA-N 532.622 4.105 10 10 KICE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NCCc1cccs1)[C@@H]2c1ccc(O)c(O)c1 1864017760 UQEXGMLRBJALAI-HSZRJFAPSA-N 546.649 4.495 10 10 KICE COc1cccc(OC)c1C(=O)N[C@H](Cc1ccc(OC(C)=O)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867363018 FSDCMTMRBIAXOJ-LOYHVIPDSA-N 616.759 4.380 10 10 KICE CN(C)c1ccc([C@H](CNC(=O)[C@H](CO)NC(=O)c2c(Cl)ccc(Cl)c2Cl)N2CCCCC2)cc1 1867741360 GCYHKTVTJGQBSZ-SFTDATJTSA-N 541.907 4.147 10 10 KICE CN(C)c1ccc(C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867891036 SLEGNJINBRBSFM-FIRIVFDPSA-N 557.739 4.209 10 10 KICE CCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cccc(C(F)(F)F)c2)[nH]1 1871496843 KIZRGSHFZULGQG-UHFFFAOYSA-N 501.557 4.025 10 10 KICE Cc1ccc2nc(NC3CC(C)(C)NC(C)(C)C3)c(C=C3SC(=S)N(C[C@@H]4CCCO4)C3=O)c(=O)n2c1 2040466509 GIFWCKIBRKXJAS-SFHVURJKSA-N 541.743 4.104 10 10 KICE COCCN1C(=O)C(=Cc2c(N3CCC(Cc4ccccc4)CC3)nc3c(C)cccn3c2=O)SC1=S 2296696711 SHIPBLPLIYDXLW-UHFFFAOYSA-N 534.707 4.310 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)C=Cc4ccccc4)n(-c4ccc(OC)cc4)n3)CC2)cc1 2331393893 FFKAMLJHLUQDPF-UHFFFAOYSA-N 510.598 4.263 10 10 KICE CCCOC(=O)CCN1C(=O)/C(=C\c2cc(Br)c(OCC(=O)N(CC)CC)c(OC)c2)SC1=S 101741468 WRAVJHRJEAKKGK-QGOAFFKASA-N 573.531 4.249 10 10 KICE O=C(O)CCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)SC1=S 102847803 LQLWOGMKRYFJFA-KGENOOAVSA-N 507.593 4.377 10 10 KICE Cc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(Cl)cc1)=C(N)O2 1864012288 WWEGEAQPVTXNCZ-RUZDIDTESA-N 549.002 4.497 10 10 KICE Cc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(Cc3ccccc3)CC1)=C(N)O2 1865026292 LTKHOFJAJRBTEC-HHHXNRCGSA-N 537.620 4.163 10 10 KICE C[C@H](NC(=O)CCc1csc(-c2ccccn2)n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867054732 ZRGWQUSDYDCISI-INIZCTEOSA-N 510.575 4.057 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)[C@@H]3C[C@@H]3c3ccccc3)CC2)cc1 1868901275 CLBMPAWECYOIBH-FCEKVYKBSA-N 501.602 4.014 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)CCCOc4ccc(C(C)(C)C)cc4)n(C)n3)CC2)cc1 1869969895 XOHVHAJUKCQBMF-UHFFFAOYSA-N 506.651 4.246 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCCN3CCOCC3)C(=O)N(Cc3cccc(C(F)(F)F)c3)C2=O)cc1 1873170102 OGKJOIOAQFBUNT-UHFFFAOYSA-N 552.597 4.315 10 10 KICE CCOCCCN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3ccccc3Cl)c3ccccc32)SC1=S 2533427 APGJZSVUBYCPBI-QZQOTICOSA-N 516.044 4.323 10 10 KICE CCOCCCNc1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(CCc2ccccc2)C1=O 33517469 MQOCFCGRLDOCPF-PGMHBOJBSA-N 508.669 4.285 10 10 KICE CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 100526645 GYFZJOGOXXZNFX-MKWGYRPRSA-N 558.616 4.033 10 10 KICE Cc1c(N2C(=O)/C(=C\c3c(N4CCN(Cc5ccccc5)CC4)nc4ccccn4c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C 150451292 MMJZMNSAZPBTID-SZXQPVLSSA-N 649.802 4.220 10 10 KICE Cc1cc(O)c2cc3c(c(O)c2c1)C(=O)c1ccc([C@@H]2C[C@H](O[C@@H]4CC[C@H](O[C@@H]5C[C@H](O[C@@H]6CC[C@H](O)[C@H](C)O6)[C@H](O)[C@H](C)O5)[C@H](C)O4)[C@@H](O)[C@@H](C)O2)c(O)c1C3=O 255983750 KQEPMSUORBBRDK-QQEYMJLDSA-N 808.874 4.314 10 10 KICE COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 1084595555 LJHURPRCMPZDQH-GDNBJRDFSA-N 538.469 4.274 10 10 KICE CC(C)c1nc2c(Cl)cc(C(F)(F)F)cn2c1/C=C1/SC(=S)N([C@H](C(=O)O)[C@@H](C)O)C1=O 1858596073 OEYVVCSBQIKAEQ-SKYCYZBKSA-N 507.943 4.165 10 10 KICE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1nc3ccccc3[nH]1)=C(N)O2 1864007091 FYIXJCMAQOIQIU-XMMPIXPASA-N 542.983 4.133 10 10 KICE CCCCOC(=O)c1ccc(CNC(=O)C2=C(N)Oc3c(c(CC)nn3CCC)[C@@H]2c2ccc(O)c(O)c2)cc1 1864020732 GBULJUFIYHDXOL-DEOSSOPVSA-N 548.640 4.235 10 10 KICE CC(C)C[C@H](C(=O)N[C@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cccc(Br)c1 1867201558 GANYQQXBHGAUOU-LADGPHEKSA-N 563.448 4.470 10 10 KICE CCCn1cc(OCC(=O)Nc2cc(C)cc(C)c2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870720222 QSAZIWNGZXVAMK-UHFFFAOYSA-N 518.658 4.223 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc4c(c3)OCCO4)C(=O)N(CCCCN(C)C)C2=O)cc1 1873424655 HRJSVKBBCGDLNV-UHFFFAOYSA-N 514.626 4.399 10 10 KICE O=C(O)CN1C(=O)C(=Cc2cc(Br)ccc2OCC(=O)Nc2ccc(Cl)cc2)SC1=S 2314842523 WSLAKLMKOAVNSV-UHFFFAOYSA-N 541.832 4.406 10 10 KICE Cc1c(N2C(=O)/C(=C3\C(=O)N(CC(=O)Nc4ccccc4)c4ccccc43)SC2=S)c(=O)n(-c2ccccc2)n1C 1822188 IJUGZXLKEXZNSE-SHHOIMCASA-N 581.679 4.246 10 10 KICE COc1ccc(CN2C(=O)/C(=C/c3c(C)c(C#N)c(=O)n(C)c3N3C[C@@H](C)C[C@@H](C)C3)SC2=S)cc1 33812253 LMTBQGYDSPCQQU-VLLHKADLSA-N 522.696 4.458 10 10 KICE CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3cc(Cl)c(OCc4cccc(C)c4)c(OC)c3)C(=O)N=C2S1 101398810 LHAXPZJOKPXYSW-UOSKESRZSA-N 533.031 4.247 10 10 KICE CCCCn1c(N2CCN(Cc3ccccc3)CC2)c(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)c(C)c(C#N)c1=O 110529574 OYGXFROHVHQMSZ-BWAHOGKJSA-N 593.775 4.217 10 10 KICE Cc1cc(O)c2cc3c(c(O)c2c1)C(=O)c1ccc([C@@H]2C[C@H](O[C@@H]4CC[C@H](O[C@@H]5C[C@H](O[C@@H]6CC[C@H](O)[C@H](C)O6)[C@H](O)[C@H](C)O5)[C@H](C)O4)[C@@H](O)[C@H](C)O2)c(O)c1C3=O 255983748 KQEPMSUORBBRDK-CTKSTCHHSA-N 808.874 4.314 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Cl)c4cc(OC)ccc4n3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 1083960195 SVFPKJHOYAYXDH-SANMLTNESA-N 563.079 4.075 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)/C=C/c3ccc(Cl)cc3)CC2)cc1 1861947386 YGLNWPCNDQDGOA-GPLAWQGUSA-N 504.030 4.438 10 10 KICE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOc1cc(C)cc(C)c1)=C(N)O2 1864013770 FYPAHGRHEWJIRT-RUZDIDTESA-N 534.657 4.409 10 10 KICE CCCC[C@H](NC(=O)CS(=O)(=O)c1cccc(Cl)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866884171 MIAURIPFRDHVDX-QHCPKHFHSA-N 553.036 4.203 10 10 KICE CCN(CC)CCn1cc(OCc2ccc(C)cc2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870768718 LTVBEQCEMHBBGA-UHFFFAOYSA-N 518.702 4.408 10 10 KICE CC[C@H](C)N1C(=O)C(=Cc2c(N3CCN(c4ccc(F)cc4)CC3)nc3ccccn3c2=O)SC1=S 2297096196 DCDRBUZSDHWAAY-KRWDZBQOSA-N 523.659 4.160 10 10 KICE O=C(CCCN1C(=O)C(=Cc2ccccc2OC(F)F)SC1=S)Nc1cc(C(=O)O)ccc1C(=O)O 2314937089 SRBJQABTBWBFAH-UHFFFAOYSA-N 536.534 4.305 10 10 KICE CCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CCCC)c2N2C[C@H](C)O[C@@H](C)C2)SC1=S 39991311 BSTGQMGDHNUPLG-HEXNSGTLSA-N 502.706 4.443 10 10 KICE COc1ccc(CCN2C(=O)/C(=C\c3c(NC[C@H]4CCCO4)nc4c(C)cccn4c3=O)SC2=S)cc1 103718489 FTUHYMCQMFLAQV-INKLHFNDSA-N 536.679 4.046 10 10 KICE O=C1/C(=C\c2ccc(F)cc2)SC(=S)N1CCC(=O)N(Cc1ccc(N2CCCCC2)o1)[C@H]1CCS(=O)(=O)C1 207308544 UUEQVRAZTIKRPE-UYSKRRQASA-N 591.752 4.216 10 10 KICE O=C1[C@@H]2[C@H](c3cc(Br)ccc3O)N[C@](CC3CCCCC3)(C(=O)O)[C@@H]2C(=O)N1Cc1ccccc1 247373029 HOTZTIUZDIPCFC-FAWUNYRSSA-N 541.442 4.394 10 10 KICE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCC(C)C)=C(N)O2 1864010607 OVPLOCROOXSDEP-OAQYLSRUSA-N 541.446 4.465 10 10 KICE Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)NCCC(C)C)[C@H]3c2ccc(O)c(O)c2)cc1 1864015194 LWMOTMPUKRUUPC-IBGZPJMESA-N 516.520 4.468 10 10 KICE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)N1CCC(C)CC1)[C@H]2c1ccc(O)c(O)c1 1865033535 BVJCZNWIXVAGFU-QHCPKHFHSA-N 518.614 4.333 10 10 KICE O=C(Nc1ccc(I)cc1C(=O)O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O 1865901674 BFAPTMRJAWCKTC-UHFFFAOYSA-N 526.286 4.038 10 10 KICE COc1cccc(OC)c1C(=O)N[C@H](Cc1ccccc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867369112 QYGWCPBCFUXOBP-IZLXSDGUSA-N 558.723 4.454 10 10 KICE CN(C)c1ccc([C@@H](CNC(=O)C(C)(C)NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccc4c(c2)OCO4)C3=O)N2CCCCC2)cc1 1867445681 KIBLQIZXQGYSQK-GDLZYMKVSA-N 639.753 4.129 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)[C@@H](Cc3ccncc3)c3ccccc3)CC2)cc1 1868673447 NKMDKVXCWOOPQZ-WUFINQPMSA-N 532.710 4.003 10 10 KICE CCOC(=O)c1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C[C@H]3CCCO3)C2=O)cc1 1873165977 YZKGSXFLQMJZMJ-AREMUKBSSA-N 527.621 4.320 10 10 KICE COc1ccc([C@@H](C)NC(=O)Cn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)cc1OC 1873995583 XVSNDVGOOWRIQH-GOSISDBHSA-N 508.578 4.469 10 10 KICE CCCCNc1nc2ccccn2c(=O)c1C=C1SC(=S)N(c2c(C)n(C)n(-c3ccccc3)c2=O)C1=O 2314414204 SINBLHFIDHXHFT-UHFFFAOYSA-N 546.678 4.110 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)C=Cc4ccc(OCc5ccccc5)cc4)n(C)n3)CC2)cc1 2331399793 XTXHOIABDRXDAS-UHFFFAOYSA-N 524.625 4.381 10 10 KICE COc1ccc(N2CCN(CCCNC(=O)c3ccc(/C=C4/Oc5ccccc5NC4=O)cc3)CC2)cc1 96889556 ALDVTNDKBFXSKD-SGWCAAJKSA-N 512.610 4.009 10 10 KICE Cc1ccc2nc(N3CCCCC3)c(/C=C3/SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(=O)n2c1 100885862 NULCMJJINSNKAB-CJLVFECKSA-N 572.716 4.197 10 10 KICE Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccc2c(c1)OCO2 101739426 LIUBJPPODZHROU-VXLYETTFSA-N 524.396 4.417 10 10 KICE CCOc1cc(/C=C2\C(=N)N3C(SC)=NSC3=NC2=O)ccc1OC(=O)c1ccc(OC)c(OC)c1 104485174 TYXFJKSKDFXENH-DSKFECOOSA-N 526.596 4.261 10 10 KICE CCCCn1c(N2CCN(CC)CC2)c(/C=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c(C)c(C#N)c1=O 110528893 MNSGVTRFBRXVAL-XHPQRKPJSA-N 631.828 4.174 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)cc3)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 254822575 BGJJGAREPBTVQO-NDEPHWFRSA-N 563.720 4.442 10 10 KICE CC(=O)Oc1ccc(C[C@@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867810666 TXABVMKXYFJYIV-XLJNKUFUSA-N 660.728 4.487 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H](c3ccc(F)cc3)C(C)C)CC2)cc1 1868853072 QYXRQYUYSDFUJX-URLMMPGGSA-N 533.644 4.356 10 10 KICE CCN(CC)CCN1C(=O)C(Nc2ccccc2S(C)(=O)=O)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873425513 CAYQWNCMYZPHPV-UHFFFAOYSA-N 534.682 4.031 10 10 KICE Cc1cc(C=C2SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)c(C)n1-c1ccccc1 2294002154 RKFLIVUXOJUKBK-UHFFFAOYSA-N 500.624 4.479 10 10 KICE Cc1cccc(N2C(=O)NC(=O)/C(=C\Nc3ccc(Cl)c(CN4C(=O)c5ccccc5C4=O)c3)C2=O)c1 103861448 IVXUKXVOMKSHNJ-FYJGNVAPSA-N 514.925 4.023 10 10 KICE CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCc1ccccc1)=C(N)O2 1864014010 LLCZQODICVDXOZ-AREMUKBSSA-N 539.636 4.465 10 10 KICE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1cc(C)ccc1C)[C@@H]2c1ccc(O)c(O)c1 1864023171 UYWUHYNCZYUEEY-LJQANCHMSA-N 516.520 4.351 10 10 KICE CCOCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccc(OC)c(OC)c2)C1=O 1873170234 RPATZHQKWPOJGA-UHFFFAOYSA-N 517.626 4.408 10 10 KICE CCSC1=NSC2=NC(=O)C(=Cc3ccc(OCCOc4cccc(OC)c4)c(OC)c3)C(=N)N12 2297333787 RQUBIJNXVWENPX-UHFFFAOYSA-N 512.613 4.491 10 10 KICE CCOc1ccc(NC(=O)CCN2C(=O)/C(=C/c3cc(OC)c(OC)c(OC)c3)SC2=S)cc1 33414035 QWERZAPMVFFICN-ZHZULCJRSA-N 502.614 4.341 10 10 KICE COc1ccc(CN2C(=O)/C(=C\c3c(N4CCCCC4)nc4ccc(C)cn4c3=O)SC2=S)cc1 35300218 DFDZCUGDRXOBFZ-KGENOOAVSA-N 506.653 4.403 10 10 KICE CCn1c(N2CCN(c3ccc(F)cc3)CC2)c(/C=C2\SC(=S)N(C(C)C)C2=O)c(C)c(C#N)c1=O 39989868 SFLZAXNDNHEUFB-HMAPJEAMSA-N 525.675 4.124 10 10 KICE CCOC(=O)Cn1cc(C(=O)C(=O)N2CCN(c3ccc(OC)cc3)CC2)c2cc(NC(=O)/C=C/c3ccccc3)ccc21 97956107 VNXGTAQKDVJKGL-CXUHLZMHSA-N 594.668 4.396 10 10 KICE C[C@H](C(=O)NCCCCCC(=O)O)N1C(=O)/C(=C/c2cc(Br)cc(Br)c2O)SC1=S 101972023 TVDDIVKJKYXJJX-DOQDJBIESA-N 580.320 4.268 10 10 KICE CCN(C(=O)CN1C(=O)/C(=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)c2ccccc21)c1ccccc1 208736628 UPBVCSGZMLGYIT-DQRAZIAOSA-N 548.671 4.064 10 10 KICE CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(I)c1OCC 1084635477 RJYBEZYZMIWXSP-LCYFTJDESA-N 540.354 4.059 10 10 KICE COc1ccc([C@H](C)NC(=O)C2=C(N)Oc3c(c(C)nn3Cc3ccc(F)cc3)[C@H]2c2ccc(O)c(O)c2)cc1 1864011955 NSXGDTAJYAHVQC-YHAMSUFESA-N 544.583 4.371 10 10 KICE Cc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1)=C(N)O2 1864012404 ZGNUYUSGFBAEOU-DEOSSOPVSA-N 516.985 4.315 10 10 KICE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NCCCc1ccccc1)[C@H]2c1ccc(O)c(O)c1 1864017731 SXVWNSFMRXKKRY-VWLOTQADSA-N 540.620 4.433 10 10 KICE CCCCC[C@H](CC)NC(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccccn2)[C@@H]1c1ccc(O)c(O)c1 1864019389 XXQSMJKYMYAJDB-MBSDFSHPSA-N 505.619 4.411 10 10 KICE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)NC(C)C)=C(N)O3)cc1 1864022759 QLLDYZTYVZTTLB-XMMPIXPASA-N 526.593 4.487 10 10 KICE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N2CCOc4ccccc42)[C@@H]3c2ccc(O)c(O)c2)cc1 1865028524 WKRMBIYCNLJKJY-RUZDIDTESA-N 510.550 4.021 10 10 KICE CCOC(=O)c1c(NC(=O)[C@@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)sc2c1CC[C@H](C)C2 1865927071 IGCXAUKPVWOAFW-FUHWJXTLSA-N 514.644 4.097 10 10 KICE CC(=O)Oc1ccc(C[C@H](NC(=O)c2ccc(OC(C)=O)cc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867717009 LVLIQBDIZDLEPW-LQJZCPKCSA-N 614.743 4.288 10 10 KICE O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)C1=Cc1cn(CC(=O)N2CCCC2)c2ccccc12 2296266029 MIABPOYRBRRLEK-UHFFFAOYSA-N 527.433 4.402 10 10 KICE CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(C)cc4)cc3)C2=O)c1 2313556100 MPWHNWHXNHHCJU-UHFFFAOYSA-N 543.576 4.476 10 10 KICE CC(C)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCC(=O)O)c(Br)c3)C2=O)cc1 100081620 AXLIMZMFWYFDGQ-VIZOYTHASA-N 566.202 4.465 10 10 KICE CCOc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](c2ccc(N(C)C)cc2)NN3C(=O)c2cccc(Br)c2)cc1 102744925 WNZSTZVIDAYJGH-SDHSZQHLSA-N 563.452 4.174 10 10 KICE COc1ccc(N2CCN(CCCn3c(SCC(=O)NCc4ccc(C)cc4)nc4ccsc4c3=O)CC2)cc1 102750049 NZZDIEPHCANWIL-UHFFFAOYSA-N 577.776 4.396 10 10 KICE CCOC(=O)CCC(=O)Nc1ccc(N2CCN(c3ccc(OC)cc3)CC2)c(S(=O)(=O)N[C@H](C)c2ccccc2)c1 103133958 GLFKHSSBOWAIMN-HSZRJFAPSA-N 594.734 4.343 10 10 KICE CCc1cccc(CC)c1N1C(=O)[C@@H]2[C@H](c3ccc(N(C)C)cc3)N[C@](Cc3ccccc3)(C(=O)O)[C@@H]2C1=O 248034051 ITSFEZCUVYRWDX-UCDUTVGFSA-N 525.649 4.394 10 10 KICE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(S(=O)(=O)NC(C)=O)cc3)[C@H]2c2ccc(N(C)C)cc2)cc1 526139179 KVABEDQXPSBPJR-SANMLTNESA-N 535.622 4.033 10 10 KICE CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cn(C)c3ccccc13)=C(N)O2 1864014003 LEJQFSXRWYVKCO-VWLOTQADSA-N 529.641 4.202 10 10 KICE CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)c1ccc(OC)cc1)=C(N)O2 1864020565 DMVRHTSUWOGZRZ-HJPURHCSSA-N 506.603 4.093 10 10 KICE CCN(CC)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1 1865031206 BMUYAFQMKFVKPK-GOSISDBHSA-N 502.493 4.174 10 10 KICE CCCCN(CC)C(=O)C1=C(N)Oc2c(c(CC)nn2Cc2ccccc2F)[C@H]1c1ccc(O)c(O)c1 1865034910 HOMWHOXWVCYZBE-HSZRJFAPSA-N 508.594 4.387 10 10 KICE CCCCCOc1ccc([C@@H]2C(C(=O)N3CCN(c4ccc(OC)cc4)CC3)=C(N)Oc3c2c(C)nn3C)cc1 1865249647 POUDOHIMOJITOT-MHZLTWQESA-N 545.684 4.350 10 10 KICE CC/C(=C\C(=O)N[C@H](CCSC)C(=O)N1CCN(c2ccc(OC)cc2)CC1)c1ccc(OC)cc1 1868660859 KGYMPPCNUZENSB-QEBGPUIJSA-N 511.688 4.084 10 10 KICE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@@H]2c2ccc(N(C)C)cc2)cc1OCC 526314912 UBDGTFSTWLZKTJ-AREMUKBSSA-N 537.638 4.255 10 10 KICE CCOc1cccc(C2=C(O)C(=O)N(c3cc(C(=O)OC)ccc3C(=O)OC)[C@@H]2c2ccc(O)c(O)c2)c1 526601226 MOCBJTBVSJGXNV-XMMPIXPASA-N 519.506 4.127 10 10 KICE CC(C)CC[C@@H](c1cc(I)cc(I)c1O)N1CCOCC1 575310472 RCFAFFBQNRVBNE-HNNXBMFYSA-N 515.173 4.411 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1 1084483946 FWYYFDGWIWVCJV-NDEPHWFRSA-N 587.698 4.232 10 10 KICE Cc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1nc3ccccc3[nH]1)=C(N)O2 1864008082 BHJVFYFZYQBVDC-DEOSSOPVSA-N 542.983 4.133 10 10 KICE CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC(C)C)=C(N)O2 1864010180 JMYAQBVOMZMRHP-DEOSSOPVSA-N 520.630 4.170 10 10 KICE CCCCOCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2Cc2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1864013077 POMOUENIBNGXBY-VWLOTQADSA-N 534.657 4.313 10 10 KICE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC1)=C(N)O2 1865030847 SOEJRHUKGXGKRW-XMMPIXPASA-N 502.615 4.229 10 10 KICE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1CCO)=C(N)O2 1865031083 YNGYINQNNYILDY-BKMJKUGQSA-N 546.668 4.062 10 10 KICE CCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)C1CCCCC1)=C(N)O2 1865033048 QLOKQNVZCRVLTF-DEOSSOPVSA-N 502.615 4.391 10 10 KICE CCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C)C1)=C(N)O2 1865033200 UMULQASFJPJPLC-IVZQSRNASA-N 509.006 4.452 10 10 KICE CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1ccccc1C 1865663060 BBDZKGWDBXPZNX-VWLOTQADSA-N 515.658 4.216 10 10 KICE O=C(C[C@@H](c1ccccc1)c1cccc(F)c1)N[C@@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866772451 NSFPWXHRARHVBA-BDYUSTAISA-N 536.559 4.239 10 10 KICE CC(C)[C@@H](C(=O)N[C@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(Br)cc1 1866977867 XILJGFLOYICKPW-DHIUTWEWSA-N 549.421 4.080 10 10 KICE COc1ccccc1C(=O)N[C@H](Cc1ccccc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867917096 YZYSAZYIRYVWLE-WDYNHAJCSA-N 528.697 4.446 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)Cc3nc(-c4ccc(C(C)(C)C)cc4)oc3C)CC2)cc1 1868656599 XLEWMEZGTDISHZ-HXUWFJFHSA-N 518.658 4.352 10 10 KICE CCc1ccc([C@@H]2CN(c3cc(N4CCN(c5ccc(OC)cc5)CC4)nc(CCOC)n3)CCO2)cc1 1869114870 OYSXDMFZFOSYNO-MHZLTWQESA-N 517.674 4.141 10 10 KICE COc1ccc(N2CCN(CCC(=O)c3ccc(NC(=O)Cc4cc(OC)ccc4OC)cc3)CC2)cc1 1874750521 ORBOBKPJAIEKAJ-UHFFFAOYSA-N 517.626 4.289 10 10 KICE COc1ccccc1Oc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCc2ccc(N3C[C@H]4CC[C@H]3C4)cc2)cc1 1892227038 HHBKWMAMEXOMSU-SFLYRZDNSA-N 535.666 4.459 10 10 KICE COc1cc(C=C2C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)ccc1OCc1ccc(C(=O)O)cc1 2294004997 GNSVAKUEPXWQSP-UHFFFAOYSA-N 516.575 4.421 10 10 KICE CC(C)CN1C(=O)C(=Cc2c(N3CCN(c4ccccc4F)CC3)nc3ccccn3c2=O)SC1=S 2296342704 XARNGQMJMAZFGJ-UHFFFAOYSA-N 523.659 4.017 10 10 KICE COc1cc(C=C2C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCCOc1ccccc1 2296660277 RVIHCYPBBOOAFP-UHFFFAOYSA-N 509.356 4.377 10 10 KICE CCCCCCN1C(=O)C(=C2SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)c2cc(Br)ccc21 2296714392 UWJXMQBBKJBXKV-AWEZNQCLSA-N 543.530 4.135 10 10 KICE CC[C@@H](C)c1ccccc1OCCOc1ccc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc1 2297345840 HKKNEDYUCFEMDC-MRXNPFEDSA-N 526.640 4.279 10 10 KICE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2313510253 DSFOWNDGOGOOEY-UHFFFAOYSA-N 518.438 4.279 10 10 KICE CCN(CC)C(=O)COc1ccc(C=C2SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)cc1 2314764495 DUBRQIBPWNSUEP-UHFFFAOYSA-N 548.484 4.243 10 10 KICE COc1cc(/C=C2\C(=O)N(c3cc(C)cc(C)c3)C(=O)N=C2O)cc(I)c1OC 33247512 OJGLXGFAPBTVKA-NVNXTCNLSA-N 506.296 4.432 10 10 KICE O=C(CN1C(=O)/C(=C2/SC(=S)N(C[C@@H]3CCCO3)C2=O)c2ccccc21)Nc1cccc(Cl)c1 33882067 GCFXKRLHSVEAIU-BZROSYFNSA-N 514.028 4.076 10 10 KICE COc1ccc(CCN2C(=O)/C(=C\c3c(NCCCn4ccnc4)nc4c(C)cccn4c3=O)SC2=S)cc1 102834599 QCPYENZVMNQEOA-HAVVHWLPSA-N 560.705 4.154 10 10 KICE CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(\C)Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1 103917287 QOWABQLYXYDGBH-RCCKNPSSSA-N 510.532 4.109 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Cl)c4ccccc4n3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 1084426347 HUHUVPVFSLJUEP-RUZDIDTESA-N 533.053 4.066 10 10 KICE CCCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2Cc2ccc(F)cc2)[C@H]1c1ccc(O)c(O)c1 1864017343 KCBVUPYTNJRZPA-XMMPIXPASA-N 544.583 4.378 10 10 KICE CCCOc1ccccc1[C@H]1C(C(=O)N2CCN(c3ccc(OC)cc3)CC2)=C(N)Oc2c1c(C)nn2CCC 1865449144 YDTGXHNOBMMFMA-HHHXNRCGSA-N 545.684 4.442 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)[C@H](C)Cc3ccc(F)cc3)CC2)cc1 1868767245 ULEUTVMCPMLNLU-PIKZIKFNSA-N 521.608 4.228 10 10 KICE CCCC[C@H](NC(=O)[C@@H](c1ccc(OC)c(OC)c1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868863769 MTXLZCTVHKGRNM-LBNVMWSVSA-N 525.690 4.476 10 10 KICE COc1ccccc1NC(=O)COc1cn(CCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871184034 BRGILYTWMIAYTK-UHFFFAOYSA-N 514.582 4.222 10 10 KICE CCCCOC(=O)CCCN1C(=O)C(=C2SC(=S)N(CCCC(=O)OCCCC)C2=O)SC1=S 2297450240 WKFAYNMFGPXVRK-UHFFFAOYSA-N 546.758 4.166 10 10 KICE Cc1cccn2c(=O)c(C=C3SC(=S)N(CCc4ccccc4)C3=O)c(N3CCSCC3)nc12 2297459401 FTMBBEKCECHWBH-UHFFFAOYSA-N 508.694 4.000 10 10 KICE COc1ccc(CCN2C(=O)C(=Cc3c(N4CCCCC4)nc4ccc(C)cn4c3=O)SC2=S)cc1OC 2314414166 RFOCMTKGHZRHNC-UHFFFAOYSA-N 550.706 4.454 10 10 KICE C[C@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C3SC(=S)N(CC(=O)O)C3=O)c2)C1 2314479250 ISMCMZUUUWZOAF-SFHVURJKSA-N 582.729 4.246 10 10 KICE CN1C(=O)/C(=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 101378757 UHYTWPWTCOBPCO-WGOQTCKBSA-N 531.609 4.367 10 10 KICE CC(C)OCCCNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O 102863382 KPHIFNLFYZOEMY-FYJGNVAPSA-N 538.651 4.052 10 10 KICE CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@H]1c1cc(OC)ccc1OC 105497613 JWRWVRLTTULFOP-ZJTZAHLKSA-N 602.669 4.131 10 10 KICE CCCCn1c(N2CCOCC2)c(/C=C2\SC(=S)N(CCc3ccc(OC)cc3)C2=O)c(C)c(C#N)c1=O 110528193 AEIFCACPKOFXAS-ULJHMMPZSA-N 552.722 4.118 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@@H]1c1ccc(C)cc1 254685712 MJODOAWPBIRXCP-HHHXNRCGSA-N 556.644 4.422 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3ccc4nc(C)c(C)nc4c3)c3ccccc3)CC2)cc1 1862077491 QDNBGGMVUTUTJI-MUUNZHRXSA-N 509.610 4.075 10 10 KICE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)NC2CCCCCC2)[C@@H]3c2ccc(O)c(O)c2)cc1 1864008278 HJVLPILZEIGDHB-RUZDIDTESA-N 502.615 4.493 10 10 KICE Cc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOc1ccccc1)=C(N)O2 1864008529 MDIOCZZOAFRGDA-XMMPIXPASA-N 532.984 4.135 10 10 KICE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(C(=O)OCC)cc1)=C(N)O2 1864014422 UXRRNJAVBFJRFQ-DEOSSOPVSA-N 548.640 4.091 10 10 KICE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCC1)=C(N)O2 1864019687 OYFWZTIPJBJYKM-XMMPIXPASA-N 502.615 4.275 10 10 KICE COc1cc(C(=O)NC(C)(C)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c(Br)c(OC)c1OC 1867460787 IPFPTZZOENFMIB-JOCHJYFZSA-N 605.574 4.393 10 10 KICE CN(C)c1ccc([C@H](CNC(=O)CNC(=O)c2ccccc2C(=O)c2ccccc2)N2CCCCC2)cc1 1867543332 QJJDWYUBUINFLN-NDEPHWFRSA-N 512.654 4.057 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)Cc3csc(COc4ccc(C)cc4)n3)CC2)cc1 1868590999 HOTVIWHCAGWGOM-AREMUKBSSA-N 568.765 4.168 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)[C@H]3C[C@@H]3c3ccc(F)cc3)CC2)cc1 1868831188 HMVQXCOJWZNNBW-PKTNWEFCSA-N 501.602 4.014 10 10 KICE CCCN=c1nc(Nc2ccc(N3CCC(C)CC3)cc2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871659655 BBEDZHLWJHNVSH-UHFFFAOYSA-N 516.694 4.431 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCC3CCC(C(=O)OC(C)C)CC3)C(=O)N(CCCN(C)C)C2=O)cc1 1873170528 DCODSZWEHREAFO-UHFFFAOYSA-N 548.728 4.473 10 10 KICE CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3cn(CCOc4ccc(C)cc4)c4ccccc34)C(=N)N21 2297345186 AMTKPIYWKJTFFL-UHFFFAOYSA-N 521.624 4.040 10 10 KICE CCOc1cc(C=C2C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 2297578656 ZOSZYAQXZWMUNP-UHFFFAOYSA-N 503.536 4.404 10 10 KICE O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)C1=Cc1ccc(OCc2cccc(F)c2)c(I)c1 2313555853 ASBZQZFNVQATFT-UHFFFAOYSA-N 586.313 4.404 10 10 KICE CCN(CC)C(=O)Cn1cc(/C=C2/C(=O)N(CC)c3ccc(S(=O)(=O)N4CCOCC4)cc32)c2cc(Br)ccc21 101377624 FAGYSCZHIBSDQX-MFKUBSTISA-N 629.577 4.200 10 10 KICE CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)ccc1OCC(=O)N1CCCCC1 101745743 UJQAPLMOOCCPHB-XQNSMLJCSA-N 539.679 4.331 10 10 KICE Cc1ccc(CN2C(=O)/C(=C3/SC(=S)N(CCC(=O)O)C3=O)c3cc(Br)ccc32)cc1 102677925 KFJFJBLJFZZKTB-VHEBQXMUSA-N 517.426 4.350 10 10 KICE Cc1ccc(OCCCOc2ccc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2Cl)cc1 104560074 DZOPAQFHCQTMFN-NFBUKIRSSA-N 533.031 4.118 10 10 KICE CCCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2N2CCN(c3ccc(F)cc3)CC2)SC1=S 110520312 SSFLBTDLWXZODF-KQWNVCNZSA-N 539.702 4.423 10 10 KICE CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)c1ccc(OC)c(OC)c1)=C(N)O2 1864013895 IHJNSBSCCZRQKB-VOIUYBSRSA-N 536.629 4.246 10 10 KICE CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(Cl)c1)=C(N)O2 1864014669 ZZNRIFQIQJJHTR-QHCPKHFHSA-N 532.000 4.295 10 10 KICE Cc1cccc(N2C(=O)c3ccc(C(=O)N[C@H](c4ccc(N(C)C)cc4)c4nccn4C)cc3C2=O)c1C 1865898579 PCLYQXDMTUBLEF-AREMUKBSSA-N 507.594 4.423 10 10 KICE COc1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1OC 1867307800 FBJHFKOVOVNCMI-FQLXRVMXSA-N 558.723 4.454 10 10 KICE CSCC[C@@H](NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867848438 JYEDIQLBEASIAT-ZEQKJWHPSA-N 586.715 4.072 10 10 KICE COc1ccc(N2CCN(C(=O)CNC(=O)[C@@H](CC(C)C)c3cccc(Br)c3)CC2)cc1 1869001568 NWFTUAZNQHDMOS-QHCPKHFHSA-N 502.453 4.052 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(Br)cc3)C(=O)N(CCN3CCOCC3)C2=O)cc1 1873425970 PTIAAXSETFNVHI-UHFFFAOYSA-N 549.469 4.381 10 10 KICE COc1ccccc1OCCOc1c(I)cc(C=C2SC(=S)NC2=O)cc1OC 2293228161 BTPAGDPGTIFXKL-UHFFFAOYSA-N 543.404 4.255 10 10 KICE O=C(Cn1cc(/C=C2\C(=O)N(c3ccc(F)cc3)C(=S)N=C2O)c2ccccc21)NCc1ccco1 883670 YVFDPAXICLMQTK-MTJSOVHGSA-N 502.527 4.361 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)[C@@H](C)Oc3ccccc3C(C)C)CC2)cc1 1862206902 YOQPOEZVXLLSJN-BWKNWUBXSA-N 513.704 4.173 10 10 KICE CCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1864016501 QPAZNYCQHOMRPW-QFIPXVFZSA-N 516.985 4.494 10 10 KICE CCOCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1864017825 WCTQJPHQLBULGC-OAQYLSRUSA-N 547.439 4.390 10 10 KICE CCCc1nn(CCC)c2c1[C@@H](c1cccc(OC)c1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865576632 CHQJQGMIMCFCFX-AREMUKBSSA-N 545.684 4.306 10 10 KICE CC(C)[C@H](C(=O)N[C@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(Br)cc1 1866977869 XILJGFLOYICKPW-PKTZIBPZSA-N 549.421 4.080 10 10 KICE CCOC(=O)Oc1ccc(C(=O)N[C@@H](CCSC)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867303808 QKRBQHOIVNTTSY-RRPNLBNLSA-N 570.756 4.483 10 10 KICE CCC[C@@H](NC(=O)c1ccc(OC)c(OC)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867311012 INJRIKUIFUAJRJ-RPBOFIJWSA-N 510.679 4.012 10 10 KICE COc1cc(C(=O)N[C@@H](Cc2ccc(OC(C)=O)cc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc(OC)c1OC 1867335885 FMFWLDRBBMPPMX-IOWSJCHKSA-N 646.785 4.388 10 10 KICE CCC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(CC(C)C)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867420618 SEYRXUQQGLJQEW-FQLXRVMXSA-N 575.754 4.247 10 10 KICE CN(C)c1ccc([C@@H](CNC(=O)[C@@H](Cc2ccccc2)N2C(=O)c3ccc(C(=O)O)cc3C2=O)N2CCCCC2)cc1 1868025082 KEKBBYICXVITGB-FQLXRVMXSA-N 568.674 4.002 10 10 KICE COc1ccc(N2CCN(c3cc(N(C(=O)[C@@H]4CCCN4)C4CCCCC4)nc(C(C)C)n3)CC2)cc1 1869082429 DLXTVEASKJMLNX-VWLOTQADSA-N 506.695 4.353 10 10 KICE COCCN1[C@@H](C)CN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(-c3ccc(F)cc3)n2)C[C@H]1C 1869275786 ZUPYNOXHKRTGMA-ZRZAMGCNSA-N 534.680 4.163 10 10 KICE CCCCn1cc(OCC(=O)Nc2ccc(C)cc2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870710018 QGUJVHHSAPTFGI-UHFFFAOYSA-N 518.658 4.305 10 10 KICE COC(=O)CCCN1C(=O)C(=Cc2cc(Br)c(OCC(=O)N3CCCCC3)c(OC)c2)SC1=S 2314759299 AOVOUQSJGHDMGM-UHFFFAOYSA-N 571.515 4.003 10 10 KICE O=C(O)CCNC(=O)CCCCCN1C(=O)C(=Cc2cc(Br)cc(Br)c2O)SC1=S 2314831257 GXHHWRVTWPOVBI-UHFFFAOYSA-N 580.320 4.270 10 10 KICE CCOC(=O)c1ccc(NC(=O)CN2C(=O)/C(=C/c3cccc(Br)c3)SC2=S)cc1 15036000 QWMSTODIDHPISC-BOPFTXTBSA-N 505.415 4.466 10 10 KICE COc1ccccc1OCCCOc1ccc(/C=C2/C(=N)N3C(SC)=NSC3=NC2=O)cc1OC 20154793 QYKIFJGYHVPKTP-SQPBVYQDSA-N 512.613 4.491 10 10 KICE Cn1c(=O)c2c(-c3ccc(Cl)cc3)n3c(c2n(C)c1=O)[C@H](c1cc(O)ccc1O)Nc1ccccc1-3 21659126 IJFKESFSPKUZBM-QFIPXVFZSA-N 500.942 4.274 10 10 KICE Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C2\SC(=S)N(CC(=O)O)C2=O)cc1 101964699 DOZPJBWDCDCHLJ-MFOYZWKCSA-N 521.414 4.061 10 10 KICE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CCCC(=O)O)C3=O)c(N3CCN(c4cccc(Cl)c4)CC3)nc12 102845505 SSOQKMWYWWLWJQ-LTGZKZEYSA-N 584.123 4.049 10 10 KICE CCCC[C@@H](NC(=O)/C=C/c1ccc(OCC)c(OC)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862160246 ZOZOMOYJSMTXBM-JUVVUYAKSA-N 509.647 4.140 10 10 KICE Cc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)C13CC4CC(CC(C4)C1)C3)=C(N)O2 1864011109 ZGWAYAFZIIIOKD-XCKZMNJZSA-N 541.652 4.403 10 10 KICE COC(=O)c1c(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)c2ccccc2)sc(C)c1-c1ccc(Br)cc1 1866203571 HGMOSEWLFPOYPP-RTBURBONSA-N 543.439 4.487 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccncc3)C(=O)N(Cc3ccc4c(c3)OCO4)C2=O)cc1 1873163877 APSZQNAWNXRXDD-UHFFFAOYSA-N 506.562 4.288 10 10 KICE COC(=O)c1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCN(C)C)C2=O)cc1 1873421109 HGQHLOXJFQTDLM-UHFFFAOYSA-N 500.599 4.024 10 10 KICE CCCN(CCC)c1nc2ccc(C)cn2c(=O)c1C=C1SC(=S)N(CCCCCC(=O)O)C1=O 2296547582 FUWUVJUFYBVPQJ-UHFFFAOYSA-N 516.689 4.476 10 10 KICE C[C@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3\SC(=S)NC3=O)c2)C1 101066074 QPEQYPWGLISCHI-CPEHUTGBSA-N 524.693 4.449 10 10 KICE CCOc1ccc(C2=C(O)C(=O)N(c3cc(C(=O)OC)cc(C(=O)OC)c3)[C@@H]2c2ccc(O)c(O)c2)cc1 526288725 ZVFNMDJILZCYIP-XMMPIXPASA-N 519.506 4.127 10 10 KICE CCOC(=O)c1c(NC(=O)C(=O)N=c2[nH]nc(C(C)C)s2)sc(C)c1-c1ccc(OCC)cc1 1860765472 MIUQENWFEMONTO-UHFFFAOYSA-N 502.618 4.273 10 10 KICE CCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccco1)=C(N)O2 1864019778 QRLZIGKEIJPECN-JOCHJYFZSA-N 520.973 4.162 10 10 KICE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4-c4ccccc4Cl)[C@@H]3c3ccco3)CC2)cc1 1865303661 NKNMORPBQVDUFI-VWLOTQADSA-N 546.027 4.479 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCC(NC(=O)OC(C)(C)C)CC4)nc(C(C)C)n3)CC2)cc1 1867950988 RSSOHVJOWNULJM-UHFFFAOYSA-N 510.683 4.429 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](CSCc3ccccc3)NC(=O)c3cccc(Cl)n3)CC2)cc1 1868579684 LVTXNOMJMYDXGZ-DEOSSOPVSA-N 525.074 4.124 10 10 KICE COCCc1nc(N2CCN(CCCc3ccc(Cl)cc3)CC2)cc(N2CCN(c3ccc(OC)cc3)CC2)n1 1869110110 DALKTMBNTLQWBH-UHFFFAOYSA-N 565.162 4.409 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCNC(=O)[C@H]4c4cn(C)c5ccccc45)nc(-c4cccnc4)n3)CC2)cc1 1869374007 DHWMPOJRRJNFFY-WJOKGBTCSA-N 574.689 4.043 10 10 KICE O=C(CCN1C(=O)/C(=C/c2cc(Br)ccc2O)SC1=S)Nc1ccc(C(=O)O)cc1 15038068 DRQYQJZSRMYOIQ-YBEGLDIGSA-N 507.387 4.083 10 10 KICE Cc1ccc(CN2C(=O)/C(=C\c3c(N4CCSCC4)nc4c(C)cccn4c3=O)SC2=S)cc1 33667604 WHCOUYVCRVRALH-XSFVSMFZSA-N 508.694 4.266 10 10 KICE CCCn1c(N2C[C@H](C)O[C@@H](C)C2)c(/C=C2\SC(=S)N(C3CCCC3)C2=O)c(C)c(C#N)c1=O 39990282 MEKPIZKBIMKYHU-YLHNTRDPSA-N 500.690 4.196 10 10 KICE CCN(CC)c1ccc([C@H]2C(c3ccc(OC)cc3)=C(O)C(=O)N2c2ccc(S(N)(=O)=O)cc2)cc1 526309902 LKLMAQOSHXSTMA-VWLOTQADSA-N 507.612 4.246 10 10 KICE CCCC[C@H](NC(=O)c1nn(-c2ccccc2)c2c1CCC2)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862069148 IRULSWJYNOUTDF-SANMLTNESA-N 515.658 4.007 10 10 KICE CCCCOCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2cccc(F)c2)[C@@H]1c1ccc(O)c(O)c1 1864018820 RIDWSTXVPPICHS-DEOSSOPVSA-N 538.620 4.062 10 10 KICE CCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)C13CC4CC(CC(C4)C1)C3)=C(N)O2 1864021279 OOSOHYXUALGXFJ-YMIDIQKJSA-N 506.647 4.292 10 10 KICE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1ccccc1F)[C@@H]2c1ccc(O)c(O)c1 1864021922 IAONPLROKHXGEQ-GOSISDBHSA-N 520.483 4.119 10 10 KICE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C)C1)=C(N)O2 1865027453 YKVQHQGHIVUQGL-IQMFZBJNSA-N 509.006 4.258 10 10 KICE Cc1nc(CNC(=O)OC(C)(C)C)sc1C(=O)NC(C)(C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867077801 MMDMFHALPONGGI-UHFFFAOYSA-N 562.648 4.399 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](CSCc3ccccc3)NC(=O)[C@H](c3ccccc3)N(C)C)CC2)cc1 1868676074 JXNLFSXTJCDIBE-VMPREFPWSA-N 546.737 4.065 10 10 KICE CCCOC(=O)c1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCN(C)C)C2=O)cc1 1873165997 ZUSKYUXUEPXDSK-UHFFFAOYSA-N 542.680 4.482 10 10 KICE CCOC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)N(CC)c4ccc(S(=O)(=O)N5CCOCC5)cc43)c2C)cc1 2297509005 IEUDZXWGAKGBFY-UHFFFAOYSA-N 563.676 4.199 10 10 KICE Cc1c(N2C(=O)C(=Cc3c(N4CCCCCC4)nc4ccccn4c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C 2314400993 UAGAYYVNOTZBGY-UHFFFAOYSA-N 572.716 4.279 10 10 KICE CCOC(=O)N1CCN(c2nc3ccc(C)cn3c(=O)c2/C=C2/SC(=S)N([C@H](C)c3ccccc3)C2=O)CC1 100849826 CRDPSNISBFIUHH-NDWLXSOOSA-N 563.705 4.244 10 10 KICE CCOC(=O)C1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N(Cc3ccc(C)cc3)C2=O)CC1 103116565 OLBPYDNZHMESHY-XQNSMLJCSA-N 562.717 4.492 10 10 KICE CCOc1ccc(C2=C(O)C(=O)N(c3cc(C(=O)OC)cc(C(=O)OC)c3)[C@H]2c2ccc(O)c(O)c2)cc1 526288723 ZVFNMDJILZCYIP-DEOSSOPVSA-N 519.506 4.127 10 10 KICE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccncc1)=C(N)O2 1864009567 AZPVDKVKLWTXOY-QHCPKHFHSA-N 532.000 4.295 10 10 KICE CCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOc3ccccc31)=C(N)O2 1865034960 IGELLMRVUAFYGA-RUZDIDTESA-N 542.567 4.164 10 10 KICE CCCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2C[C@H](C)N(CCOC)[C@H](C)C2)n1 1868387138 SMFXOGLWMQDWCZ-BGYRXZFFSA-N 513.642 4.494 10 10 KICE CC[C@@](C)(NC(=O)CCC(=O)N1CCC[C@H]1c1nc2ccccc2s1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868893856 HQQCIEAXTSMQGV-VVFBEHOQSA-N 577.751 4.382 10 10 KICE CC(=O)NCCN1C(=O)C(Nc2ccc(C)cc2Br)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873423897 KMPFHUBVRKWMRN-UHFFFAOYSA-N 535.442 4.493 10 10 KICE COc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C3CCN(C)CC3)C2=O)cc1OC 1873427713 XTMUDMWELQYLQO-UHFFFAOYSA-N 514.626 4.398 10 10 KICE O=C1NC(=S)N(c2cccc(Br)c2)C(=O)C1=Cc1cc(Cl)cc(I)c1O 2294259031 BZZQXEUJXNAGBS-UHFFFAOYSA-N 563.598 4.244 10 10 KICE NS(=O)(=O)c1ccc(N2N=C(C(F)(F)F)C(=Cc3ccc(OCc4ccccc4)cc3)C2=O)cc1 2294623565 AVFOSCKNODICTN-UHFFFAOYSA-N 501.486 4.262 10 10 KICE CCCCCCN1C(=O)C(=Cc2c(N3CCN(C(=O)OCC)CC3)nc3ccc(C)cn3c2=O)SC1=S 2314399266 FMELSIDVUFKKGA-UHFFFAOYSA-N 543.715 4.063 10 10 KICE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCc4ccccc4F)c(Cl)c3)C(=N)N21 96460524 GIYLVLPDUNYKTQ-JVWYAVPJSA-N 506.968 4.069 10 10 KICE Cc1cccc(OCCCOc2ccc(/C=C3\C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2Cl)c1 101398109 GQWFNOGXNWODNI-NFBUKIRSSA-N 533.031 4.118 10 10 KICE CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 105498019 PYBFTGQGPRGPBA-PRLWALMFSA-N 602.669 4.131 10 10 KICE COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 108789159 XIAASBKOIQQDML-GRSHGNNSSA-N 615.336 4.159 10 10 KICE CCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(F)cc1)=C(N)O2 1864019546 LSIACYBGHZBVEI-RUZDIDTESA-N 528.584 4.098 10 10 KICE C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867738876 KJBUOEFQBRTDDK-DFHRPNOPSA-N 604.217 4.042 10 10 KICE O=C(CCCC(=O)c1ccc(Br)cc1)NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1868136263 OKBRPSINCMLTPF-UHFFFAOYSA-N 533.378 4.332 10 10 KICE CCCC[C@@H](NC(=O)CCN(Cc1ccccn1)C(=O)OC(C)(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868926905 ZMIVCZQTJNGWCR-HHHXNRCGSA-N 567.731 4.241 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3cc(-c4cc(F)ccc4OC)n(C)n3)c3ccccc3)CC2)cc1 1868945877 VKENITASWAYSKI-GDLZYMKVSA-N 557.626 4.063 10 10 KICE CCCCn1cc(OCC(=O)OCc2ccccc2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870618252 UBRPIFRWENDDEY-UHFFFAOYSA-N 519.642 4.101 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3nc4ccccc4[nH]3)C(=O)N(CCCCN(C)C)C2=O)cc1 1873169549 PBQSGOSFHSTZRB-UHFFFAOYSA-N 524.669 4.224 10 10 KICE COc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C[C@@H]3CCCO3)C2=O)c([N+](=O)[O-])c1 1873418998 KTRWGPBZQVXXRD-QFIPXVFZSA-N 516.554 4.382 10 10 KICE Cc1ccc2nc(N3C[C@H](C)O[C@@H](C)C3)c(C=C3SC(=S)N(Cc4ccccc4)C3=O)c(=O)n2c1 2314400636 OQSCBSGHMVCUER-ROUUACIJSA-N 506.653 4.018 10 10 KICE C[C@H]1CCCCN1c1nc2ccccn2c(=O)c1C=C1SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O 2314413964 MFMGCGAXNHTZRX-INIZCTEOSA-N 520.636 4.203 10 10 KICE O=C(COc1cc(Cl)c(Cl)cc1Cl)NN1C(=O)/C(=C2\C(=O)Nc3ccccc32)SC1=S 100844179 QGQYOCCSFHIYKG-FOCLMDBBSA-N 514.799 4.281 10 10 KICE COc1ccc(CCN2C(=O)/C(=C\c3c(N4CCN(Cc5ccccc5)CC4)nc4ccccn4c3=O)SC2=S)cc1OC 100884334 WQZGDZXCGCBJPU-SGWCAAJKSA-N 627.792 4.478 10 10 KICE O=C(CN1C(=O)C[C@@H](N2C(=O)/C(=C/C=C\c3ccccc3)SC2=S)C1=O)Nc1cccc(C(F)(F)F)c1 102892756 BYRMONTUGSKGTD-ZAXBWTEKSA-N 545.564 4.229 10 10 KICE Cc1ccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(CC(=O)N5CCCC5)SC4=NC3=O)cc2)cc1C 103620152 SMNQOUSXVYDRMK-VMJYKDGMSA-N 531.638 4.393 10 10 KICE CC1=NN(c2ccccc2)C(=O)C1=c1sc(=C2Sc3ccccc3N2C)c(=O)n1-c1ccc(C)cc1 254795947 UBDLTCBONWFEHM-UHFFFAOYSA-N 510.644 4.089 10 10 KICE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NCc1ccc(C)cc1)[C@H]2c1ccc(O)c(O)c1 1864017216 IHSWDLDEBKIOIS-DEOSSOPVSA-N 526.593 4.309 10 10 KICE CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(C)cc1)=C(N)O2 1864017702 SBOATPFKDSVNMH-RUZDIDTESA-N 510.594 4.474 10 10 KICE CCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccccc1)=C(N)O2 1864019412 YCLKWFBQRRHPAU-RUZDIDTESA-N 528.584 4.098 10 10 KICE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)NCC(C)C)=C(N)O3)cc1 1864022636 PQEJAOAJORCJLB-XMMPIXPASA-N 526.593 4.426 10 10 KICE C[C@@H]1CCCC[C@H]1NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccn2)[C@H]1c1ccc(O)c(O)c1 1864023295 XNRSDLZKTTXALD-ZXYWRSMDSA-N 529.519 4.087 10 10 KICE CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(c3cccc(C)c3C)CC1)=C(N)O2 1865030875 TVJDRXKBFIOPSG-SANMLTNESA-N 545.684 4.317 10 10 KICE COc1ccc([N+](=O)[O-])cc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(C2CCN(C)CC2)C1=O 1873427227 IDIXXVDCEKLSAJ-UHFFFAOYSA-N 529.597 4.297 10 10 KICE CCCCc1nnc(NC(=O)CCN2C(=O)C(=C3SC(=S)N(CCC(=O)Nc4nnc(CCCC)s4)C3=O)SC2=S)s1 2040588038 DKGKIALICRERHJ-UHFFFAOYSA-N 684.942 4.364 10 10 KICE O=C(O)C[C@H](C(=O)O)N1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)SC1=S 2297468238 CJXFLYOLLOBLEA-QGZVFWFLSA-N 513.984 4.322 10 10 KICE Cc1ccc(-c2ccc(C=C3SC(=S)N(NC(=O)CCN4CCCCC4)C3=O)o2)c([N+](=O)[O-])c1 2314487512 IYGCWZYYSMKXOF-UHFFFAOYSA-N 500.602 4.272 10 10 KICE COc1ccc(OC)c(/C=C/C(=O)Nc2ccc3nc(N4CCN(c5ncccn5)CC4)cc(C)c3c2)c1 3650108 AJQHCJYTLVIYKW-BJMVGYQFSA-N 510.598 4.329 10 10 KICE O=C(CCN1C(=O)/C(=C\c2ccccc2)SC1=S)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 6089004 YEJDQJWZPSNLOU-NBVRZTHBSA-N 530.678 4.174 10 10 KICE CN(C)c1ccc([C@H]2C(c3cccs3)=C(O)C(=O)N2c2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1 526433939 OEEDCRLUORURMK-QHCPKHFHSA-N 533.635 4.462 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)cc3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 1081111505 BPCNCWWXBPUKRD-AREMUKBSSA-N 519.667 4.043 10 10 KICE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCOc1cc(C)cc(C)c1)[C@@H]2c1ccc(O)c(O)c1 1864016194 JITXOEXGYUFLER-RUZDIDTESA-N 540.620 4.488 10 10 KICE CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C)CC1)=C(N)O2 1865029542 PQRKWBPWSRMJHU-DEOSSOPVSA-N 502.615 4.498 10 10 KICE CCCc1nn(CC)c2c1[C@H](c1ccc(C)cc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865186625 UOKKRROHYYMLRR-VWLOTQADSA-N 515.658 4.216 10 10 KICE COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2C[C@H](C)N(c3ccccc3)[C@@H](C)C2)n1 1869112546 WMMKYPPRRIIRFW-ZEQRLZLVSA-N 516.690 4.104 10 10 KICE COc1ccc(N2CCN(c3nc(=NCc4ccc(F)cc4)[nH]c(=Nc4ccc(C)cc4C)[nH]3)CC2)cc1 1871603223 ZVUNXRNMNQFDLY-UHFFFAOYSA-N 513.621 4.162 10 10 KICE COc1cc(C=C2SC(=S)N(CC(=O)O)C2=O)cc(Br)c1OC(=O)c1cccs1 2294700844 CHLXZUXMNQOVCH-UHFFFAOYSA-N 514.400 4.024 10 10 KICE COc1ccc(NC(=O)COc2ccc(C=C3SC(=S)N(CC(C)C)C3=O)cc2)c([N+](=O)[O-])c1 2331594965 WNZPAFIGABJHDR-UHFFFAOYSA-N 501.586 4.478 10 10 KICE COc1ccc(CCN2C(=O)/C(=C/c3c(C)c(C#N)c(=O)n(C)c3N3CCCCCC3)SC2=S)cc1 39989599 HDHOGEPSYGNMJG-KQWNVCNZSA-N 522.696 4.398 10 10 KICE CCOc1cc(/C=C2/SC(=S)N(CCCCCC(=O)O)C2=O)ccc1OCC(=O)N1CCCCC1 40927841 WQSGNWIJEJUHPP-LTGZKZEYSA-N 520.673 4.323 10 10 KICE Cc1cccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(S(=O)(=O)CC(C)C)SC4=NC3=O)cc2)c1 101399410 OOYNEQPBTMUTTA-SMKDVUIYSA-N 526.640 4.100 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)CCc3ccc(C)c(C)c3)CC2)cc1 1861939952 DMMIPYAWLMSYGX-GDLZYMKVSA-N 515.654 4.027 10 10 KICE CCCc1nn(CC)c2c1[C@H](c1ccccc1F)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865069076 NYZZPNNAULSLCV-DEOSSOPVSA-N 519.621 4.047 10 10 KICE CCCc1nn(CCC)c2c1[C@@H](c1cccc(F)c1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865547574 LWCPUOSTOZPDAA-RUZDIDTESA-N 533.648 4.437 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)CCC(=O)c3ccc(C)cc3C)CC2)cc1 1868931980 WEFIEKQFHHRYRU-GDLZYMKVSA-N 543.664 4.057 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCN[C@H](c5cn(C)c6ccccc56)C4=O)nc(C(C)C)n3)CC2)cc1 1869104785 YALJGMYTJLPLLL-GDLZYMKVSA-N 539.684 4.104 10 10 KICE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccccc4)cn3CCCn3ccnc3)CC2)cc1 1870469908 TUOIWLOYFMYIHH-UHFFFAOYSA-N 513.642 4.045 10 10 KICE CC(=O)NCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccc(OC(C)(C)C)cc2)C1=O 1873167006 OAPJDPPFVCOMNV-UHFFFAOYSA-N 528.653 4.277 10 10 KICE COCCCN1C(=O)C(Nc2ccc(OC)c([N+](=O)[O-])c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873420425 OCJVPUOWUBZMCN-UHFFFAOYSA-N 504.543 4.239 10 10 KICE COc1ccc(CCN2C(=O)C(=Cc3c(NCCCOC(C)C)nc4ccccn4c3=O)SC2=S)cc1OC 2296731329 NXWMFNLSDFOULU-UHFFFAOYSA-N 568.721 4.383 10 10 KICE COC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4ccc(Br)cc4)C3=O)c2C)cc1 2313560910 LBCSYQQDQBZWOR-UHFFFAOYSA-N 538.423 4.475 10 10 KICE CCOC(=O)[C@@H](c1ccccc1)N1C(=O)C(=Cc2ccc(OCC(=O)N(CC)CC)cc2)SC1=S 2314766580 AZNIBFOEMZUYSN-HSZRJFAPSA-N 512.653 4.439 10 10 KICE C[C@H]1CN(C2=NC(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N4C[C@H](C)O[C@H](C)C4)c3)S2)C[C@@H](C)O1 101013841 RUSYVENEAPWPLL-KYBGIIIFSA-N 621.785 4.417 10 10 KICE Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C\C(=O)OCC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C 103070525 KMTGCBSLNBLQCV-GWQNQTGSSA-N 534.009 4.190 10 10 KICE COc1ccc(/C=C2/SC(=S)N(CCCC(=O)N(Cc3ccc(N4CCCCC4)o3)[C@H]3CCS(=O)(=O)C3)C2=O)cc1 207308916 XCXVVXFDRHPMCC-BOJFNEGLSA-N 617.815 4.476 10 10 KICE CCCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(OC(C)(C)C)cc1)=C(N)O2 1864014237 PXSHQCASXJTFHZ-QHCPKHFHSA-N 520.630 4.455 10 10 KICE CC[C@@H](C)NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(F)cc2)[C@@H]1c1ccc(O)c(O)c1 1864023487 ZKUNQWAXHBHYFB-XIKOKIGWSA-N 520.483 4.110 10 10 KICE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C(F)(F)F)nn4CC(C)C)[C@@H]3c3ccco3)CC2)cc1 1865311588 IMDGQLOBXHIVOC-FQEVSTJZSA-N 545.562 4.203 10 10 KICE CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1sccc1C 1865343024 HKOFQLSKKVRJOQ-HSZRJFAPSA-N 521.687 4.277 10 10 KICE CC(C)N1C(=O)c2ccc(C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O 1867431861 DAKZMLDITGDTDS-AJQTZOPKSA-N 625.770 4.147 10 10 KICE CCCCC(=O)Nc1nc(N2CCN(c3ccc(OC)cc3)CC2)nn1-c1ccc(Br)cc1 1869969016 ANAWVEXSAUPXBT-UHFFFAOYSA-N 513.440 4.494 10 10 KICE COc1ccc(N2CCN(CCC(=O)c3cccc(NC(=O)Cc4ccc(OC)cc4OC)c3)CC2)cc1 1874721464 VEFKKKJJPNLCPO-UHFFFAOYSA-N 517.626 4.289 10 10 KICE Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccc2c(c1)OCO2 2313559698 NEEHTPSZGJPDRE-UHFFFAOYSA-N 508.328 4.252 10 10 KICE O=C(CCN1C(=O)C(=Cc2cc(Br)ccc2O)SC1=S)Nc1ccc([N+](=O)[O-])cc1 2314827667 JZXQQYCCSVTLHP-UHFFFAOYSA-N 508.375 4.293 10 10 KICE COc1cc([N+](=O)[O-])cc([C@H]2OC(c3ccc(NC(=O)c4cccc(Cl)c4)cc3)=NN2C(C)=O)c1O 64819835 VCRBJJOFEZKHNY-XMMPIXPASA-N 510.890 4.454 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@@H]1c1ccc(F)cc1 254295236 MTDKLOZOPGSNNU-AREMUKBSSA-N 533.600 4.484 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)c3ccc4nc(-c5ccccc5Cl)[nH]c4c3)CC2)cc1 1861888785 LJZOJQRSBCXTTE-SFHVURJKSA-N 518.017 4.359 10 10 KICE Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(Cl)cc1)=C(N)O2 1864008652 PBNQEEDICLSBBG-DEOSSOPVSA-N 516.985 4.315 10 10 KICE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCc2ccccc2F)[C@@H]3c2ccc(O)c(O)c2)cc1 1864008695 PYPNQDSQWGMTQD-XMMPIXPASA-N 500.530 4.050 10 10 KICE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccco1)=C(N)O2 1864018954 FJYQZAQXAJTYQN-DEOSSOPVSA-N 514.582 4.126 10 10 KICE CCOc1cccc([C@H]2C(C(=O)N3CCN(c4ccc(OC)cc4)CC3)=C(N)Oc3c2c(C)nn3CC(C)C)c1 1865247520 UBYPFXALKQCWDW-HHHXNRCGSA-N 545.684 4.298 10 10 KICE COC(=O)c1c(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)c2ccccc2)sc(C)c1-c1ccc(Br)cc1 1866203568 HGMOSEWLFPOYPP-MOPGFXCFSA-N 543.439 4.487 10 10 KICE COc1ccc(C(=O)N[C@@H](Cc2ccc(OC(C)=O)cc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867311988 XGZHJULGOVJYFY-ACHIHNKUSA-N 586.733 4.371 10 10 KICE CC[C@H](NC(=O)c1ccccc1Br)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867381014 SDIOEZLBVKJYEF-BJKOFHAPSA-N 515.496 4.367 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)c3ccc(OC)c(Br)c3)CC2)cc1 1869006714 DJLITHWCAGJLLW-WMZHIEFXSA-N 546.506 4.450 10 10 KICE CCCCN(CC)c1ncnc2c1cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2CCCOC 1873558553 FXGSVURSVBFDPO-UHFFFAOYSA-N 508.667 4.065 10 10 KICE CCCCN1C(=O)/C(=C\c2c(N3CCN(Cc4ccccc4)CC3)nc3ccccn3c2=O)SC1=S 33688666 CIZLRXZDWUCSOD-RELWKKBWSA-N 519.696 4.018 10 10 KICE COCCCNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccccc2Cl)C1=O 33795854 UPNSBRPELIFEMP-QGOAFFKASA-N 501.033 4.198 10 10 KICE O=C1NC(=O)N(CCNc2ncc(C(F)(F)F)cc2Cl)C(=O)/C1=C\Nc1ccc(OC(F)(F)F)cc1 100409143 SLHKAFZWIBULNL-LCYFTJDESA-N 537.804 4.139 10 10 KICE Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2Cl)cc1 102769391 CRQMIWKQKKZYCL-KQHQIWRUSA-N 538.010 4.479 10 10 KICE CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC(C)C)=C(N)O2 1864012804 JOSFYGGUCOPOBR-DEOSSOPVSA-N 538.620 4.060 10 10 KICE CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCc1ccncc1)[C@@H]2c1ccc(O)c(O)c1 1864016832 YJKYRQIGOSYEFN-HSZRJFAPSA-N 511.582 4.023 10 10 KICE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1cccs1 1865328440 WVIJMEGPKWNYBO-GOSISDBHSA-N 533.576 4.035 10 10 KICE CN(C)c1ccc([C@@H](NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2Cl)C3=O)c2nccn2C)cc1 1865898980 NCVOJAUXBSNMRR-XMMPIXPASA-N 513.985 4.460 10 10 KICE CC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(CCC(C)C)C2=O)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866619309 BMGZQHLFYVIVTF-XMMPIXPASA-N 551.599 4.251 10 10 KICE CN(C)c1ccc([C@@H](CNC(=O)C(C)(C)NC(=O)c2ccc(-n3cccc3)cc2)N2CCCCC2)cc1 1867758479 VSBVPAOCMDJSMB-HHHXNRCGSA-N 501.675 4.395 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccccc3F)C(=O)N(CCCN3CCOCC3)C2=O)cc1 1873425981 QDXVWFZMCVRKNC-UHFFFAOYSA-N 502.590 4.148 10 10 KICE Cc1c(N2C(=O)C(=C3C(=O)N(CC(=O)Nc4ccccc4)c4ccccc43)SC2=S)c(=O)n(-c2ccccc2)n1C 2296539235 IJUGZXLKEXZNSE-UHFFFAOYSA-N 581.679 4.246 10 10 KICE CCCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3cccc(Br)c3)c3ccccc32)SC1=S 2296712255 OQPZPDXCBJVNHW-UHFFFAOYSA-N 516.442 4.416 10 10 KICE Cc1ccc(C=Cc2onc(C)c2S(=O)(=O)N2CCC(C(=O)NCc3ccc(N(C)C)cc3)CC2)cc1 2297402548 OTNJIZBADJCIDK-UHFFFAOYSA-N 522.671 4.245 10 10 KICE Cc1cccn2c(=O)c(C=C3SC(=S)N([C@@H]4CCS(=O)(=O)C4)C3=O)c(Sc3ccc(Cl)cc3)nc12 2314401435 YLBKVYKUGXTMGG-OAHLLOKOSA-N 564.135 4.196 10 10 KICE O=C1C(=Cc2ccc(F)cc2)SC(=S)N1CCC(=O)N(Cc1c(F)cccc1Cl)[C@H]1CCS(=O)(=O)C1 2314603316 FKCHQMFBZDMJSX-KRWDZBQOSA-N 571.092 4.425 10 10 KICE COc1ccc(C=C2SC(=S)N(NC(=O)c3ccc(Cl)cc3Cl)C2=O)c(C(=O)O)c1OC 2314929325 LCBFCWRNHWMUKQ-UHFFFAOYSA-N 513.380 4.255 10 10 KICE COc1cccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2OC)c1 2433543 WBGKNMGJMDJQDT-OILBOLJZSA-N 529.578 4.224 10 10 KICE COc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)c(OCc4ccccn4)c(OC)c3)C2=O)cc1 8695557 WKEBQNFBDCDQQC-ODLFYWEKSA-N 538.354 4.107 10 10 KICE COc1cc(OC)c(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc1Br 103860236 BZLVNLWEKRDGOS-QPEQYQDCSA-N 526.206 4.060 10 10 KICE CCN(CC)C(=O)COc1ccc(/C=C2/SC(=S)N(C[C@@H](c3ccc(OC)cc3)N(C)C)C2=O)cc1 1858593881 BSVIGWZIXQIAOM-JECJHWOISA-N 527.712 4.447 10 10 KICE COc1ccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3-c3ccc(Cl)cc3)[C@H]2c2ccc(O)c(O)c2)cc1 1864007185 HIPXWHLBWHFCRZ-XMMPIXPASA-N 532.984 4.265 10 10 KICE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCc1ccccc1)[C@H]2c1ccc(O)c(O)c1 1864015908 GHSHKQAJZMNTIQ-DEOSSOPVSA-N 510.594 4.425 10 10 KICE Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)N2CCCCC2)[C@@H]3c2ccc(O)c(O)c2)cc1 1865031993 SORJNSWHXAOIFZ-LJQANCHMSA-N 514.504 4.318 10 10 KICE CN(C)c1ccc([C@H](CNC(=O)c2c[nH]c3ccc(I)cc3c2=O)N2CCCCC2)cc1 1866154786 ILPHIORHQQQWBL-QHCPKHFHSA-N 544.437 4.156 10 10 KICE CN(C)c1ccc([C@@H](CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2ccccc2)N2CCCCC2)cc1 1867772967 JOYYMJGIAODYSP-URLMMPGGSA-N 514.670 4.143 10 10 KICE CC[C@](C)(NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867846664 AGAFKKPGIGPFNF-NAKRPHOHSA-N 554.648 4.119 10 10 KICE CCCOC(=O)c1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCOC)C2=O)cc1 1873420587 QGTICGUORBPFDU-UHFFFAOYSA-N 501.583 4.499 10 10 KICE CCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCCOc3ccc(OC)cc3)ncnc21 1875207360 ROOGIPGXGHZDFT-UHFFFAOYSA-N 544.656 4.312 10 10 KICE COc1ccc(N2CCN(c3nc4c(C)cccn4c(=O)c3C=C3SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)CC2)cc1 2296704006 IYRRTOBRKNDWOG-UHFFFAOYSA-N 627.748 4.468 10 10 KICE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(OCc2ccc(C(=O)O)cc2)c(I)c1 2313557536 FUMNDAQNAVSGNK-UHFFFAOYSA-N 586.313 4.374 10 10 KICE COC(=O)c1cc(NC(C)=C2C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)cc(C(=O)OC)c1 2313683204 UKQBVSMLJOKLRL-UHFFFAOYSA-N 514.494 4.305 10 10 KICE COc1ccc(/C=C2/C(=O)N(c3cc(OC)c(OC)c(OC)c3)C(=O)N=C2O)cc1CN1C(=O)c2ccccc2C1=O 1901482 NHTLLWRWIPZFIF-CIAFOILYSA-N 571.542 4.024 10 10 KICE COc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OCc1ccccc1[N+](=O)[O-] 20236875 QHLJWJCTDFKFEX-OGUWXHFSSA-N 513.304 4.395 10 10 KICE Cc1ccc(S(=O)(=O)N2C[C@H](C)N(S(=O)(=O)c3ccc(C)cc3)[C@@H]2c2ccc(N(C)C)cc2)cc1 20368134 NLVRURDWWRNKGZ-HFZDXXHNSA-N 513.685 4.152 10 10 KICE Cn1c(=O)c2c(-c3ccc(Cl)cc3)n3c(c2n(C)c1=O)[C@H](c1cccc(O)c1O)Nc1ccccc1-3 21659122 DIXTZDFZVPRYIK-NRFANRHFSA-N 500.942 4.274 10 10 KICE Cc1c(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c(N2C[C@@H](C)C[C@@H](C)C2)n(C)c(=O)c1C#N 33812201 QSJYEFYXSOXNNK-OWLAEVIISA-N 506.697 4.492 10 10 KICE CC[C@H](C)N1C(=O)/C(=C\c2c(N3CCN(c4ccccc4F)CC3)nc3c(C)cccn3c2=O)SC1=S 100880680 CXBGFYPFOZDDLG-RMDTYCCRSA-N 537.686 4.468 10 10 KICE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(NC[C@@H](O)c3ccccc3)nc12 101012836 MCZGMDKTRVWJKE-MQHZAWOVSA-N 624.748 4.352 10 10 KICE Nc1cc(Oc2ccc(N3C(=O)c4ccc(C(=O)O)cc4C3=O)cc2)ccc1N1C(=O)c2ccc(C(=O)O)cc2C1=O 105657100 OUYPXERRHZVLQE-UHFFFAOYSA-N 563.478 4.059 10 10 KICE Cc1c(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)c(NCc2ccc3c(c2)OCO3)n(C)c(=O)c1C#N 143279765 GKOXSFQSBQGSDU-OPVMPGTRSA-N 574.640 4.036 10 10 KICE CCOc1cc(/C=C2/SC(=S)N(CCCCCC(=O)NCCCCCC(=O)O)C2=O)ccc1O 210752595 NWMASRYEKXFTHF-CAPFRKAQSA-N 508.662 4.314 10 10 KICE O=C1C(O)=C(c2cccs2)[C@@H](c2ccc(O)c(O)c2)N1c1ccc(S(=O)(=O)Nc2ccccn2)cc1 526266958 HSPJTWRWOBOIGC-HSZRJFAPSA-N 521.576 4.412 10 10 KICE CC[C@@H]([C@@H](C)O)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cncn6)(c6ccccc6F)C5)cc4)CC3)cc2)c1=O 1848435905 KYLCTYDWBLAEHT-JARZQHCWSA-N 682.801 4.434 10 10 KICE COc1ccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3Cc3cc(C)ccc3C)[C@@H]2c2ccc(O)c(O)c2)cc1 1864012025 PJFQEENZZQAONJ-MHZLTWQESA-N 540.620 4.287 10 10 KICE COc1ccc([C@@H](C)NC(=O)C2=C(N)Oc3c(c(-c4ccccc4)nn3C)[C@H]2c2ccc(O)c(O)c2)cc1 1864016333 MLSZRYOEUIQIER-WAIKUNEKSA-N 512.566 4.079 10 10 KICE COc1ccc(-c2nn(CC(C)C)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)NC2CCCC2)=C(N)O3)cc1 1864017025 CNACTAOATUFZSJ-QHCPKHFHSA-N 518.614 4.379 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)Cc3cc(-c4ccccc4)on3)CC2)cc1 1868811652 WYPVLFWGCQTFRW-MUUNZHRXSA-N 542.611 4.108 10 10 KICE COc1ccc(CCNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCn3ccnc3)C2=O)cc1OC 1873166263 JFLYBZIYYAQOIB-UHFFFAOYSA-N 553.663 4.310 10 10 KICE COC(=O)C1CCC(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(Cc3ccncc3)C2=O)CC1 1873170810 RMIIPVOPELYRSB-UHFFFAOYSA-N 526.637 4.338 10 10 KICE COc1ccc(N2CCN(C(=O)c3cc4c(NC[C@@H](c5ccc(O)cc5)N(C)C)ncnc4n3Cc3ccco3)CC2)cc1 1875235270 JCAKJCCCEKMHTM-PMERELPUSA-N 595.704 4.464 10 10 KICE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OC 2297331260 NQHNPPGPKRZZEZ-UHFFFAOYSA-N 526.714 4.018 10 10 KICE COc1ccc(N2N=C(C)C(=CNN3C(=O)c4cccc5c(Br)ccc(c45)C3=O)C2=O)cc1 2297534384 RSRQVFGEMWPKRX-UHFFFAOYSA-N 505.328 4.018 10 10 KICE Cc1ccc2nc(NC[C@H](O)c3ccccc3)c(C=C3SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(=O)n2c1 2314475746 BJRJCSKEPWCENM-DEOSSOPVSA-N 624.748 4.352 10 10 KICE CCOc1cc(C=C2SC(=S)N(CCCCCC(=O)OC)C2=O)cc(Br)c1OCC(=O)N1CCOCC1 2314754072 JXLXJHJZNXBJDR-UHFFFAOYSA-N 615.568 4.020 10 10 KICE CCOC(=O)c1c(CS(=O)(=O)c2ccccc2)n(C)c2cc(-c3cccnc3)c(O)c(CN(C)C)c12 85392412 MFTZETFOLWIEQS-UHFFFAOYSA-N 507.612 4.158 10 10 KICE CC1=NN(c2ccc(NC(=O)c3ccc(N)c(C)c3)cc2)C(=O)[C@@H]1/N=N/c1cc(S(=O)(=O)O)cc(Cl)c1O 111898964 OFGPRXSOMRKYQS-PNCZSKEESA-N 556.988 4.310 10 10 KICE CSCC[C@]1(C(=O)O)N[C@H](c2cc(Cl)ccc2[N+](=O)[O-])[C@@H]2C(=O)N(Cc3ccc4c(c3)C(=O)c3ccccc3C4=O)C(=O)[C@@H]21 247495289 CWXDBKAIZXOZDJ-BHUVWSLTSA-N 634.066 4.046 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)c(N(CC)CC)cc3OC)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 252670690 LLGMWSAJYZKZLM-SANMLTNESA-N 628.545 4.144 10 10 KICE CC(C)COc1ccc(C2=C(O)C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@@H]2c2ccc(N(C)C)cc2)cc1 526312183 QBMYMLXWRGRKHY-AREMUKBSSA-N 521.639 4.492 10 10 KICE Oc1c(I)cc(I)cc1[C@H](c1ccc(OC(F)(F)F)cc1)N1CCNCC1 575267838 YVGOFXHCCJIMHT-INIZCTEOSA-N 604.148 4.495 10 10 KICE CO[C@@H]1O[C@H](CN=[N+]=[N-])[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 607701840 LSKICROOUPISTF-FJYFZNAYSA-N 531.521 4.345 10 10 KICE CCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1c[nH]c3ccccc13)=C(N)O2 1864018754 CBFILOYPLPKYRW-HHHXNRCGSA-N 549.631 4.440 10 10 KICE CC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccc(OC)cc1)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867458228 ZSLUSFZHBDNEMD-ZWXJPIIXSA-N 625.770 4.409 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)Cc3nc(-c4cccc(OC)c4)oc3C)c3ccccc3)CC2)cc1 1868653093 HQDDNBYMDRCCPM-PMERELPUSA-N 554.647 4.416 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)C[C@H](c3ccccc3)C3CC3)CC2)cc1 1868681004 BAQGZKBCEHKORC-IHLOFXLRSA-N 527.665 4.361 10 10 KICE COc1ccc(N2CCN(CCC(=O)c3cccc(OC(=O)c4ccc(OC(C)=O)cc4)c3)CC2)cc1 1874732566 IDEILTQMWBHBFU-UHFFFAOYSA-N 502.567 4.235 10 10 KICE Cc1cc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N(CCS(=O)(=O)O)C2=O)cc2c1O[C@H](C)C2 2297498394 XVMCRFJXTZSRQV-MRXNPFEDSA-N 541.676 4.260 10 10 KICE COCCNc1nc2ccc(C)cn2c(=O)c1C=C1SC(=S)N(Cc2ccccc2Cl)C1=O 2314413778 HNZNXMVYNYTPMM-UHFFFAOYSA-N 501.033 4.116 10 10 KICE CCc1cccc(CC)c1N1C(=O)[C@H]2[C@H](C1=O)[C@@](Cc1ccc([N+](=O)[O-])cc1)(C(=O)O)N[C@H]2c1ccc(N(C)C)cc1 248015014 CRSOHDJFGBFGHA-XTQYNZLPSA-N 570.646 4.302 10 10 KICE CC[C@](C)(NC(=O)c1cc(C)n(-c2cccc(Cl)c2)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861886987 ZJBSSOZANXXHHV-MHZLTWQESA-N 510.038 4.090 10 10 KICE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1ccccc1 1865023295 IXWHJYPJEDUYSD-OAQYLSRUSA-N 541.574 4.364 10 10 KICE Cc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1C)=C(N)O2 1865026592 QAVZSJPPMZCFIQ-IQMFZBJNSA-N 509.006 4.400 10 10 KICE CCC[C@H](NC(=O)Cc1nc(-c2cccc(Cl)c2)oc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868649828 DVSJYFMXDYHYPF-DEOSSOPVSA-N 525.049 4.488 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)c3cc(-c4cc(F)ccc4F)n(C)n3)CC2)cc1 1868940288 GFKPSCAVTQAQRQ-NDEPHWFRSA-N 577.607 4.203 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCC[C@H]4C(=O)N=c4cc(C)o[nH]4)nc(-c4ccc(Cl)cc4)n3)CC2)cc1 1869246713 FJQJYHRBVIESRX-VWLOTQADSA-N 574.085 4.458 10 10 KICE CC[C@H](C)N1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(C)c2N2CCN(c3ccccc3F)CC2)SC1=S 33458895 SYCWYSTTXMIICO-SITPEIFSSA-N 525.675 4.031 10 10 KICE Cc1c(N2C(=O)/C(=C\c3ccc(O)c(Br)c3)SC2=S)c(=O)n(-c2ccccc2)n1C 96577219 XQKLYPISTRPIFP-GZTJUZNOSA-N 502.415 4.358 10 10 KICE O=C(NN1C(=O)/C(=C\c2ccc(OCC(=O)N3CCCCC3)cc2)SC1=S)c1ccc(Br)cc1 101745288 LQVBMYANXCVDAE-XSFVSMFZSA-N 560.495 4.387 10 10 KICE Cc1c(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)c(N2CCN(c3ccccc3F)CC2)n(C)c(=O)c1C#N 105635050 MHTVASZHRFSGTC-PCLIKHOPSA-N 559.692 4.433 10 10 KICE CCOCCCNc1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(CCc2ccc(OC)c(OC)c2)C1=O 105768545 GUZXANDQQOWPBA-KQWNVCNZSA-N 568.721 4.303 10 10 KICE Cc1c(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)c(N2CCC(Cc3ccccc3)CC2)n(C)c(=O)c1C#N 110519061 DYGYWESSUXVPON-KQWNVCNZSA-N 550.706 4.091 10 10 KICE CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](c4cc(Br)ccc4O)N[C@](Cc4c[nH]c5ccccc45)(C(=O)O)[C@@H]3C2=O)cc1 248377086 FMSHFNGNZVTULF-OKUYAMHMSA-N 602.441 4.355 10 10 KICE NS(=O)(=O)c1ccc(CCN2C(=O)/C(=C\c3cccc(OCc4ccccc4)c3)SC2=S)cc1 1858590690 DXPIPSJORIFZGT-XQNSMLJCSA-N 510.662 4.357 10 10 KICE CCCn1nc(C)c2c1OC(N)=C(C(=O)N[C@H](C)C13CC4CC(CC(C4)C1)C3)[C@@H]2c1ccc(O)c(O)c1 1864010078 OUKJSWNVHIBOJA-UDRCLIHCSA-N 506.647 4.428 10 10 KICE Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCC(C)C)=C(N)O2 1864010660 AKWCGKYQAITLQH-OAQYLSRUSA-N 517.413 4.425 10 10 KICE CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(F)cc1)=C(N)O2 1864012670 GEKLGJMTYCGGOC-AREMUKBSSA-N 542.611 4.488 10 10 KICE CC[C@](C)(NC(=O)c1ccc(F)c(F)c1F)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867814260 PURKOLUMZFEESB-CUNXSJBXSA-N 504.597 4.412 10 10 KICE CCCC[C@H](NC(=O)CCN(Cc1ccncc1)C(=O)OC(C)(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868925700 KFZKRNZVCSWXHB-MHZLTWQESA-N 567.731 4.241 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)C[C@H](C)c3cccc(OC)c3)c3ccccc3)CC2)cc1 1868943719 QKDKJOOSBCCHDA-PZGXJGMVSA-N 501.627 4.404 10 10 KICE CCCOC(=O)CCCN1C(=O)C(=Cc2ccc(OCC(=O)N(CC)CC)c(OCC)c2)SC1=S 2314759916 HADBCZBNJGYITB-UHFFFAOYSA-N 522.689 4.267 10 10 KICE CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)ccc1O[C@H](C)C(=O)O 2314935742 RXRBPQZSSFVJNS-GFCCVEGCSA-N 506.989 4.137 10 10 KICE CC[C@@H](C)N1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(C)c2N2CCN(c3ccccc3F)CC2)SC1=S 33458893 SYCWYSTTXMIICO-CAUNFOBBSA-N 525.675 4.031 10 10 KICE CCn1c(NCc2ccc(F)cc2)c(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c(C)c(C#N)c1=O 40066504 SYRRBCPUNPASFA-DUQUIBLKSA-N 512.632 4.180 10 10 KICE Cc1cc2c(c(O)c1-c1c(C)cc3c(c1O)C(=O)c1c(O)cc(O)cc1C3=O)C(=O)c1c(O)cccc1C2=O 44362085 UECHIQHWRMWQKC-UHFFFAOYSA-N 522.465 4.049 10 10 KICE biogenic COC(=O)CC[C@@H]1CN(Cc2ccccc2O)CC[C@@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1 208054553 BNIRCAKRGHBXNZ-YKSBVNFPSA-N 505.581 4.377 10 10 KICE CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccc(C)o2)n2c(sc(=Cc3ccc(N(C)C)cc3)c2=O)=N1 1772722938 KZFVWBQIDIXPGN-AREMUKBSSA-N 512.635 4.150 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)COc3ccc(Cl)c(C)c3)c3ccccc3)CC2)cc1 1862191397 OKMGGWAWFUQFQS-MHZLTWQESA-N 508.018 4.242 10 10 KICE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCN(c3ccccc3)CC1)[C@H]2c1ccc(O)c(O)c1 1865032213 YBKBCXYCWQDPLB-VWLOTQADSA-N 537.620 4.025 10 10 KICE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N(C)Cc1ccccc1)[C@H]2c1ccc(O)c(O)c1 1865033886 JUBLZXKZXWMHDY-IBGZPJMESA-N 516.520 4.322 10 10 KICE CC[C@@H](NC(=O)c1nc(C(F)(F)F)n2ccccc12)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867287414 OFHUDFDGAOUHLQ-QGZVFWFLSA-N 520.467 4.276 10 10 KICE CCCC[C@H](NC(=O)c1ccc(OC)c(OC)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867307155 FDFUMYGGCKATJD-IZZNHLLZSA-N 524.706 4.402 10 10 KICE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccc(C)cc4)cn3C[C@@H]3CCCO3)CC2)cc1 1870767957 GOYKFPJQYYVILE-NDEPHWFRSA-N 503.643 4.246 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3ccc(Oc4ccccc4Cl)cc3)CC2)cc1 1892083368 MUCLBRZMWNJQPB-LJQANCHMSA-N 530.046 4.157 10 10 KICE Cc1ccsc1CN(C(=O)CCCN1C(=O)C(=Cc2cccs2)SC1=S)[C@H]1CCS(=O)(=O)C1 2314600230 SZOLFGXGTPAOKL-INIZCTEOSA-N 540.779 4.315 10 10 KICE COc1cc(C=C2SC(=S)N([C@@H]3CC(=O)N(CCCCC(=O)O)C3=O)C2=O)ccc1OCc1ccc(C)cc1 2314834152 ZLNBQFJDSIINGH-HXUWFJFHSA-N 568.673 4.166 10 10 KICE CCOC(=O)c1ccc(N2C(=O)C[C@@H](N3C(=O)/C(=C/C(C)=C/c4ccccc4)SC3=S)C2=O)cc1 15051097 AIZZJYLDTFYRPB-QUOFVODYSA-N 506.605 4.343 10 10 KICE COC(=O)[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(OCC(=O)N3CCCCC3)c(OC)c2)SC1=S 101737250 CAVQRGLFWXLNFB-KZVLXBEFSA-N 540.663 4.202 10 10 KICE CCOC(=O)[C@H](c1ccccc1)N1C(=O)/C(=C\c2cc(Br)c(OCC(=O)N3CCOCC3)c(OC)c2)SC1=S 150437856 YOTHGQUNOWKUBX-QFVBLGFASA-N 635.558 4.201 10 10 KICE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(CCCC(=O)O)C2=O)c1C 213200549 CYMRXQIKERUPQQ-UYRXBGFRSA-N 509.609 4.478 10 10 KICE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC(C)C)=C(N)O2 1864010373 LROGJONHKOLOKM-QFIPXVFZSA-N 527.021 4.125 10 10 KICE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@H](C)C1)=C(N)O2 1865030250 GUXPHNWSYOKUMA-BVFVYWQFSA-N 546.668 4.242 10 10 KICE CN(C)c1ccc([C@H](CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccn2)C3=O)N2CCCCC2)cc1 1867467001 SXPDNLFZJXTTOF-PXLJZGITSA-N 674.802 4.334 10 10 KICE CN(C)c1ccc([C@@H](CNC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)N2CCCCC2)cc1 1867790421 WBBXIIBLCKSECJ-LXANVCGNSA-N 628.774 4.182 10 10 KICE COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2C[C@H](C)O[C@H](c3ccc(F)cc3)C2)n1 1869115784 BZQPXYDYGRAKHO-LVXARBLLSA-N 521.637 4.106 10 10 KICE COc1ccc(CNc2nc3ccc(C)cn3c(=O)c2C=C2SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1 2296709015 AZTDEZNQFFNFMC-IBGZPJMESA-N 522.652 4.004 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=CC(Br)=Cc3ccccc3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 2313515167 DKXBSABTBCBUJL-DEOSSOPVSA-N 552.494 4.252 10 10 KICE COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(C(C)(C)C)cc3)C2=O)c(C(=O)O)c1OC 16906237 BCDLCQDWNFSEFQ-SFQUDFHCSA-N 500.598 4.246 10 10 KICE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C[C@H]4CCCO4)C3=O)c(NCCc3ccccc3)nc12 33417170 JSUMVAKBGNABHF-DDNKWHRWSA-N 506.653 4.038 10 10 KICE COC(=O)[C@H](Cc1ccc(OCCNCC(=O)OC(C)(C)C)cc1)Nc1ccccc1C(=O)c1ccccc1 96028508 IHWUGWTWNFZRHA-MHZLTWQESA-N 532.637 4.424 10 10 KICE CCn1c(N2CCC(C)CC2)c(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)c(C)c(C#N)c1=O 110521118 KUWWDGNBLNFMLJ-FMCGGJTJSA-N 536.679 4.415 10 10 KICE COc1ccc(C(=O)N2CCN(c3ccc(NC(=O)/C=C\c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cc3)CC2)cc1 207333314 AJFCIJWLKHDXPW-DXNYSGJVSA-N 571.634 4.054 10 10 KICE CCN(CC)C(=O)COc1ccc(-c2c(C)sc(NC(=O)C(=O)N[C@H]3CCCC[C@H]3C)c2C(=O)OC)cc1 1860763704 NQVTYWDRRPYOPJ-UTKZUKDTSA-N 543.686 4.391 10 10 KICE CCCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cccs1)=C(N)O2 1864012704 HDHPBNFGIXXDOJ-DEOSSOPVSA-N 530.650 4.410 10 10 KICE CCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)cc2)[C@@H]1c1ccc(O)c(O)c1 1864015118 JVMXFOHQEFIIKK-KRWDZBQOSA-N 522.911 4.236 10 10 KICE Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1ccc(OC(C)(C)C)cc1)[C@@H]2c1ccc(O)c(O)c1 1864015262 NNFPOZXZSSWRFV-GOSISDBHSA-N 532.519 4.038 10 10 KICE CC[C@](C)(NC(=O)Cc1nc(-c2ccccc2C)oc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868634768 QCNFUSLLHDTGEF-LJAQVGFWSA-N 504.631 4.143 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)CCCc3ccccc3C)CC2)cc1 1868952463 YVZDTJCVESMUSP-LJAQVGFWSA-N 515.654 4.108 10 10 KICE O=C(COc1cn(CCCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O)N1CCCCCC1 1870932967 TYCBQFMPXYXVTA-UHFFFAOYSA-N 504.631 4.368 10 10 KICE COc1ccc(N2CCN(c3nc(=NCCCOC(C)C)nc(Nc4ccc(Cl)cc4)[nH]3)CC2)cc1 1871523605 WANDQQFUNWLZGT-UHFFFAOYSA-N 512.058 4.253 10 10 KICE COc1ccc(N2CCN(c3nc(=NCc4ccccc4)nc(Nc4ccc(OC)cc4C)[nH]3)CC2)cc1 1871689362 BVTLETNJWKLUCP-UHFFFAOYSA-N 511.630 4.301 10 10 KICE Cc1ccc(N2C(=O)C(=Cc3cc(Br)cc(I)c3O)C(=O)NC2=S)cc1C 2294262184 MLADWLCXBCSSBJ-UHFFFAOYSA-N 557.207 4.207 10 10 KICE COc1ccc(C=C2C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1COc1ccc(NC(C)=O)cc1 2296099205 VEWDSCCFHHFZMY-UHFFFAOYSA-N 519.554 4.203 10 10 KICE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(C)C2=O)c1 35447533 IOPFLXHXQZGTNV-RCCKNPSSSA-N 512.682 4.401 10 10 KICE CCCn1c(N2C[C@H](C)O[C@@H](C)C2)c(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c(C)c(C#N)c1=O 39990257 BYQZFZKSKKHRSF-WWNXGUCMSA-N 522.696 4.453 10 10 KICE CCCCn1c(N2CCOCC2)c(/C=C2\SC(=S)N(C3CCCCC3)C2=O)c(C)c(C#N)c1=O 39990304 RXJXPALPAJMCEB-QNGOZBTKSA-N 500.690 4.199 10 10 KICE CCCCCOC(=O)CCN1C(=O)/C(=C2/SC(=S)N(CCC(=O)OCCCCC)C2=O)SC1=S 102401284 ZRBBKTNDLCLMLT-ZCXUNETKSA-N 546.758 4.166 10 10 KICE COC(=O)c1ccc(C(=O)OC)c(N=N[C@@H](C(C)=O)C(=O)Nc2ccc(NC(=O)[C@@H](N=Nc3cc(C(=O)OC)ccc3C(=O)OC)C(C)=O)cc2)c1 606509428 BZKXDIAAIOXKAH-NSOVKSMOSA-N 716.660 4.193 10 10 KICE COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3C)C2=O)ccc1OCc1cccc(C(=O)O)c1 1084570990 ZUWUTGSGAYLTPD-MOSHPQCFSA-N 502.548 4.112 10 10 KICE COc1ccc(OCCCC(=O)N[C@@H](C(=O)N2CCN(c3ccc(OC)cc3)CC2)c2ccccc2)cc1 1862236505 YSIISJRJNUFSBG-GDLZYMKVSA-N 517.626 4.069 10 10 KICE COCCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@@H]1c1ccc(O)c(O)c1 1864014215 PMJTUQMUXLYDGN-QHCPKHFHSA-N 547.011 4.451 10 10 KICE NC1=C(C(=O)NCc2cccs2)[C@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3ccccc3)c2O1 1864015982 YCICGCYYSOUBAO-GOSISDBHSA-N 528.512 4.375 10 10 KICE CC[C@](C)(NC(=O)c1cc(C)n(-c2ccccc2)n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866841297 WMEGENCEQVBQFD-PMERELPUSA-N 506.562 4.493 10 10 KICE CC[C@@H](NC(=O)c1ccc(N2CCN(C(=O)C(C)(C)C)CC2)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866901442 XYIUTCDGIRNAEI-AREMUKBSSA-N 580.685 4.304 10 10 KICE CN(C)c1ccc([C@@H](CNC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc([N+](=O)[O-])cc2)N2CCCCC2)cc1 1867360172 ICHGSIRYRDGEBA-FQLXRVMXSA-N 543.668 4.345 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)Cc3csc(COc4ccccc4)n3)c3ccccc3)CC2)cc1 1868595211 HGRZGPBJWIYHAY-PMERELPUSA-N 556.688 4.480 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(OC(C)=O)cc3)NC(=O)CCCC(=O)c3cccs3)CC2)cc1 1868733235 FDYPUENLIFQSJD-HHHXNRCGSA-N 577.703 4.111 10 10 KICE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccc(C(C)C)cc4)cn3CCN(C)C)CC2)cc1 1870471543 LFKVVPMHFCOCCM-UHFFFAOYSA-N 518.702 4.443 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(F)cc3)C(=O)N(CCCN3CCOCC3)C2=O)cc1 1873425596 HHGIVKILLLWLQF-UHFFFAOYSA-N 502.590 4.148 10 10 KICE Cc1c(Br)ccc(N2C(=O)NC(=O)C(=Cc3cc4c(cc3Br)OCO4)C2=O)c1C 2313547938 GYAQLDMPNADHBC-UHFFFAOYSA-N 522.149 4.224 10 10 KICE CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 6354185 ZZNPKHCQPMNMAA-QPJBPQEWSA-N 588.642 4.041 10 10 KICE COc1ccc(N2CCN([C@H](CNS(=O)(=O)c3ccc(OC(F)(F)F)cc3)c3ccco3)CC2)cc1 38637545 GTRNIYXGNNCLTB-JOCHJYFZSA-N 525.549 4.029 10 10 KICE COc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(I)cc(I)c3OC(C)C)C2=O)cc1 164066352 LLJCZFSQLYFHSA-SXGWCWSVSA-N 632.192 4.358 10 10 KICE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(-c5ccccc5)nn4C)[C@H]3c3ccccc3F)CC2)cc1 1865068192 FGAWUVBNYVYKFT-RUZDIDTESA-N 539.611 4.278 10 10 KICE COc1ccc(N2CCN(CCC(=O)c3ccc(OC(=O)COc4cc(F)ccc4F)cc3)CC2)cc1 1874748414 CJLKSLHUSKXALD-UHFFFAOYSA-N 510.537 4.353 10 10 KICE Cc1ccc(OCCOc2ccc(C=C3C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2Cl)cc1C 2297345427 VTGBNJMTMZXQRF-UHFFFAOYSA-N 533.031 4.036 10 10 KICE CC(=O)N1N=C(c2ccc(I)o2)O[C@H]1C(=Cc1ccc(N(C)C)cc1)NC(=O)c1ccccc1 2297403627 VIJQSKYTMZHSNT-VWLOTQADSA-N 570.387 4.288 10 10 KICE CC[C@H](Oc1ccccc1C=C1SC(=S)N(c2c(C)n(C)n(-c3ccccc3)c2=O)C1=O)C(=O)O 2314931754 IHDRPZLUQDKHOD-SFHVURJKSA-N 509.609 4.132 10 10 KICE CC[C@H](Oc1ccc(C=C2SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1OC)C(=O)O 2314932893 PRWATJOMSDMPLG-HNNXBMFYSA-N 506.989 4.137 10 10 KICE CC(C)CN1C(=O)/C(=C\c2c(N3CCN(c4ccccc4F)CC3)nc3ccccn3c2=O)SC1=S 33339614 XARNGQMJMAZFGJ-RCCKNPSSSA-N 523.659 4.017 10 10 KICE O=C(O)COc1c(I)cc(/C=C2\C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)cc1I 33358387 HKNXJEVRKSSTFC-XGICHPGQSA-N 636.111 4.005 10 10 KICE CCCCn1c(N2CCN(C)CC2)c(/C=C2\SC(=S)N(C3CCCCC3)C2=O)c(C)c(C#N)c1=O 33812715 XZPXOJPJQPBOOE-JWGURIENSA-N 513.733 4.114 10 10 KICE CCOC(=O)N1CCN(C(=O)CCCCCN2C(=O)/C(=C/C=C\c3ccccc3)SC2=S)CC1 34990389 DAKWPWKZMCNSOD-YVLPXXINSA-N 501.674 4.305 10 10 KICE CC1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3\SC(=S)N(CC(=O)O)C3=O)c2)CC1 101013455 SWHZQYDUHMAHNS-HAHDFKILSA-N 582.729 4.246 10 10 KICE Cc1ccc2nc(N3CCN(c4cccc(Cl)c4)CC3)c(/C=C3/SC(=S)N(C[C@H]4CCCO4)C3=O)c(=O)n2c1 102684935 YRYHSZBZNHVSGJ-CPOKCXMASA-N 582.151 4.363 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=C/C(Br)=C\c3ccccc3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 1084470074 DKXBSABTBCBUJL-VMBDXQSRSA-N 552.494 4.252 10 10 KICE CCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1864014878 FKVROBDWDJYOJU-INIZCTEOSA-N 508.884 4.177 10 10 KICE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCC1)=C(N)O2 1865034622 APBMPNCSLVLGTK-JOCHJYFZSA-N 509.006 4.266 10 10 KICE COCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(C2CCN(Cc3ccccc3)CC2)C1=O 1873165865 XNIUHLFQHTUCQC-UHFFFAOYSA-N 512.654 4.075 10 10 KICE COc1ccc(N2CCN(c3nc4ccccn4c(=O)c3C=C3SC(=S)N(CCc4ccc(OC)c(OC)c4)C3=O)CC2)cc1 2296718525 RAHDQVDLRAZKHC-UHFFFAOYSA-N 643.791 4.491 10 10 KICE Cc1cc(C=C2C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)c(C)n1-c1ccc2ccccc2c1 2297468945 DSGOZPWEPUALAY-UHFFFAOYSA-N 526.622 4.115 10 10 KICE CCCC[C@@H](CC)CN1C(=O)C(=Cc2c(N3CCOCC3)nc3ccc(C)cn3c2=O)SC1=S 2314415065 WDZDBLUIADOEHO-GOSISDBHSA-N 500.690 4.257 10 10 KICE COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3nonc3-c3ccc4c(c3)CCCC4)C2=O)cc1 47133705 ZLWPBFPSCMDOGQ-NDENLUEZSA-N 506.609 4.464 10 10 KICE Cc1cccc(OCCCn2cc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)c3ccccc32)c1 96459846 KKPBSCWOKBFYOU-RDJYZGLESA-N 521.624 4.040 10 10 KICE O=C1c2ccccc2C(=O)c2cc(NC(=O)C3CCN(C(=O)/C=C/c4ccc([N+](=O)[O-])s4)CC3)ccc21 1860602671 WIHJLXPUKUAPHU-RMKNXTFCSA-N 515.547 4.322 10 10 KICE CCCOc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1862063260 DLKIEMKHCUNFPG-NDEPHWFRSA-N 501.627 4.174 10 10 KICE Cc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)c1ccccc1)=C(N)O2 1864011739 KTJGRUYHWBLHKM-IVCQMTBJSA-N 514.557 4.362 10 10 KICE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccn1)=C(N)O2 1864012483 AORZTFAWEAXRLL-VWLOTQADSA-N 525.609 4.010 10 10 KICE CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1F)=C(N)O2 1864019230 WXBCIAIGDNBABG-DEOSSOPVSA-N 532.547 4.194 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCC(CN5CCOCC5)CC4)nc(-c4ccc(F)cc4)n3)CC2)cc1 1869267009 MSLFHRVWNZGSLO-UHFFFAOYSA-N 546.691 4.167 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NC[C@H]3CCCO3)C(=O)N(CCCc3nc4ccccc4[nH]3)C2=O)cc1 1873166222 HKKFHZYVEPBNCU-XMMPIXPASA-N 523.637 4.452 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(Oc4ccccc4C)cc3)CC2)cc1 1892260097 SIOAYQHUVGFKAY-MHZLTWQESA-N 535.666 4.298 10 10 KICE Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(N3CCC(C)CC3)nc12 2296697807 NOMORLUDBSNWOH-UHFFFAOYSA-N 534.663 4.369 10 10 KICE CC[C@@H](C)Nc1nc2ccccn2c(=O)c1C=C1SC(=S)N(CCc2ccc(OC)c(OC)c2)C1=O 2297459096 RDGOJJJDFNDJOA-MRXNPFEDSA-N 524.668 4.366 10 10 KICE CC[C@H](Oc1ccc(C=C2SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)cc1OC)C(=O)O 2314934142 YICKYZKQLIIVNY-HNNXBMFYSA-N 551.440 4.246 10 10 KICE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(N3CCC[C@@H](C)C3)nc12 100885916 WUHZKXYLVFAQOB-OZHVRZOASA-N 586.743 4.443 10 10 KICE COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(Br)cc1OCc1ccc(C(=O)O)cc1 101759588 ANFOLQUGOKDFHR-LSCVHKIXSA-N 595.358 4.130 10 10 KICE Cc1c(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)c(NCc2ccccc2)n(C)c(=O)c1C#N 143275130 UXXAEUJQIHPGCW-KSEXSDGBSA-N 530.631 4.308 10 10 KICE COc1ccc(N(C)CCC(=O)N2CCC3(CCCCc4ccccc4OCCN(C)C3=O)CC2)cc1 643587491 GAYZZTJOYMQVIS-UHFFFAOYSA-N 507.675 4.394 10 10 KICE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NCc1ccc(C)cc1)[C@@H]2c1ccc(O)c(O)c1 1864017217 IHSWDLDEBKIOIS-XMMPIXPASA-N 526.593 4.309 10 10 KICE CCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCc1ccccc1)=C(N)O2 1864018054 BQCDJQMVPOZLIZ-RUZDIDTESA-N 525.609 4.075 10 10 KICE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C)CC1)=C(N)O2 1865027221 WHGCURRUBLGZQV-QHCPKHFHSA-N 509.006 4.258 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCN(c5ccccc5OC)CC4)nc(C(C)C)n3)CC2)cc1 1867950202 MWHRBHIPHXZLFE-UHFFFAOYSA-N 502.663 4.270 10 10 KICE CCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCC(CN3CCOCC3)CC2)n1 1868274268 AQFHNMVKQPOOJW-UHFFFAOYSA-N 511.626 4.107 10 10 KICE CCN(CC)CCn1cc(OCC2CCCCC2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870484840 UWVLKZDIRWPTRD-UHFFFAOYSA-N 510.723 4.480 10 10 KICE COc1ccc(N2CCN(c3nc(=NCC(C)C)nc(Nc4ccc(OC(F)(F)F)cc4)[nH]3)CC2)cc1 1871572966 XJTJVWLSSCAEDP-UHFFFAOYSA-N 517.556 4.339 10 10 KICE COc1ccc(N2CCN(c3nc(=NCc4cccc(C)c4)[nH]c(=Nc4ccc(C)c(F)c4)[nH]3)CC2)cc1 1871580035 LHVDBGZKLJQWLM-UHFFFAOYSA-N 513.621 4.162 10 10 KICE CCCOc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCN3CCOCC3)C2=O)cc1 1873425772 LBPPKYVYQOUKOR-UHFFFAOYSA-N 528.653 4.407 10 10 KICE Cc1ccccc1OCCCOc1ccc(C=C2C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)cc1 2297469150 ZZZLDSQAHPYOKZ-UHFFFAOYSA-N 531.638 4.475 10 10 KICE CCCC[C@H](NC(=O)C=Cc1ccc(Br)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2328570866 IZUPEIXAQXFWAI-DEOSSOPVSA-N 514.464 4.495 10 10 KICE Cn1c(=O)c2c(-c3ccc(Cl)cc3)n3c(c2n(C)c1=O)[C@@H](c1cc(O)ccc1O)Nc1ccccc1-3 21659124 IJFKESFSPKUZBM-JOCHJYFZSA-N 500.942 4.274 10 10 KICE COc1ccc(CNc2nc3ccc(C)cn3c(=O)c2/C=C2/SC(=S)N(C[C@H]3CCCO3)C2=O)cc1 35225863 AZTDEZNQFFNFMC-MRUVXERFSA-N 522.652 4.004 10 10 KICE NC(=O)C1CCN(c2nc3ccccc3cc2/C=C2\SC(=S)N(Cc3ccc(F)cc3)C2=O)CC1 38732786 VPIGMJLLKOYDRU-HMAPJEAMSA-N 506.628 4.477 10 10 KICE C[C@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3\SC(=S)N([C@@H]4CCS(=O)(=O)C4)C3=O)c2)C1 150452293 DZLLBKLAWWBQKP-IWFXNFIDSA-N 642.850 4.348 10 10 KICE CCOc1cc(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)ccc1OCC(=O)N1CCCCC1 206706962 WQSGNWIJEJUHPP-PGMHBOJBSA-N 520.673 4.323 10 10 KICE Cc1ccc2nc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)c(/C=C3/SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(=O)n2c1 210648903 MPODQFWJABIQIJ-CCVNUDIWSA-N 655.758 4.184 10 10 KICE COC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4cccc(Cl)c4)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 252676248 WMRNNAWHIINULY-VWLOTQADSA-N 534.037 4.388 10 10 KICE COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCCC2=CCCCC2)[C@H]3c2ccc(O)c(O)c2)cc1 1864007907 XLEMXHPSHYQRTP-VWLOTQADSA-N 516.598 4.302 10 10 KICE CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1nc3ccccc3[nH]1)=C(N)O2 1864011185 RFLGCRKIHLGJQA-VWLOTQADSA-N 536.592 4.123 10 10 KICE CCCc1nn(CCC)c2c1[C@H](c1ccccc1O)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865528621 IHBYIPMQTODVPX-VWLOTQADSA-N 531.657 4.003 10 10 KICE Cc1cc2nc(C(=O)N[C@H](Cc3ccc(O)cc3)C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cc(C3CC3)n2n1 1867170352 ZDZCXCLZRSSUBE-AREMUKBSSA-N 585.620 4.376 10 10 KICE CC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867430804 KYKLBBWNZQUQFB-ACHIHNKUSA-N 609.771 4.443 10 10 KICE CCCCOc1ccc(C(=O)NCC(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1OCC 1867666751 VPRYAJMGAKRWIK-AREMUKBSSA-N 524.706 4.403 10 10 KICE CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867746608 BOSYOKJMHBVOGZ-WDYNHAJCSA-N 618.244 4.432 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](CSCc3ccccc3)NC(=O)c3cccc(N4CCCC4=O)c3)CC2)cc1 1868612376 KWSPMCJUMJILMC-LJAQVGFWSA-N 572.731 4.203 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)c3cc(C4CC4)n4nc(C(C)(C)C)cc4n3)CC2)cc1 1868998689 FASOMUOIMBYLQG-QHCPKHFHSA-N 564.756 4.113 10 10 KICE COc1ccc(N2CCN(c3nc(=NC(=O)c4ccc(OCC(C)C)cc4)n(-c4ccccc4)[nH]3)CC2)cc1 1869970453 JPLWRNXKSGFLCJ-UHFFFAOYSA-N 526.641 4.312 10 10 KICE COc1ccc(N2CCN(c3nc(=NCc4cccc(C)c4)[nH]c(=Nc4cccc(C)c4C)[nH]3)CC2)cc1 1871590979 CHSQLARVNGGOPK-UHFFFAOYSA-N 509.658 4.332 10 10 KICE CCOCCCN1C(=O)C(NCCc2ccc(OC)c(OC)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873166344 MLAUAZUGVWAFIL-UHFFFAOYSA-N 531.653 4.450 10 10 KICE C[C@@H]1C[C@H]1c1ccc(CN(C(=O)CCN2C(=O)C(=Cc3cccs3)SC2=S)[C@H]2CCS(=O)(=O)C2)o1 2314829240 RQHFZRIZNZIEDL-JTDSTZFVSA-N 550.749 4.272 10 10 KICE COc1cc(C=C2C(=O)N(c3ccc(Cl)cc3)N=C2C(F)(F)F)ccc1OCCN1CCOCC1 2332105206 IJUJHFXTPCHGNC-UHFFFAOYSA-N 509.912 4.408 10 10 KICE Cc1nsc2ncc(C(=O)N3CCCCC3)c(N3CCC(C(=O)NCc4ccc(N(C)C)cc4)CC3)c12 65301151 UMUCHZYJBYTCJD-UHFFFAOYSA-N 520.703 4.225 10 10 KICE COc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)c(OS(=O)(=O)c4ccc(C)cc4)c(OC)c3)C2=O)cc1 100345094 XKQHINRFXRQPSE-NDENLUEZSA-N 601.431 4.209 10 10 KICE CCCCNC(=O)c1c(/N=[N+](\[O-])c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C(=O)NCCCC)cc([N+](=O)[O-])cc1[N+](=O)[O-] 101041494 NKVCEFMCCVXHAZ-QPLCGJKRSA-N 576.479 4.305 10 10 KICE COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(I)c1OCc1ccc2c(c1)OCO2 103849941 XDQYTXRENVGRHO-LSCVHKIXSA-N 616.339 4.413 10 10 KICE CCCn1c(N2CCN(CC)CC2)c(/C=C2\SC(=S)N(CCc3ccc(OC)cc3)C2=O)c(C)c(C#N)c1=O 110572607 RUKBPGZHOVXHMY-BWAHOGKJSA-N 565.765 4.033 10 10 KICE COC(=O)c1cc(N/C(C)=C2/C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccc(OC)cc2)cc(C(=O)OC)c1 205970234 ZGVXNMAYSISPRU-LFVJCYFKSA-N 544.520 4.314 10 10 KICE CCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)c1ccc(OC)cc1)=C(N)O2 1864019962 SKONINBWWYHAMA-DWXRJYCRSA-N 540.620 4.486 10 10 KICE COc1cc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc(OC)c1OC 1867339218 JUBOXEMHTORPNU-URLMMPGGSA-N 604.748 4.169 10 10 KICE CC[C@](C)(NC(=O)c1ccc2c(c1)C(=O)N(C(C)(C)C)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867513669 TVYNNMSSQZSWMX-SYBRLPANSA-N 575.754 4.389 10 10 KICE CC[C@H](NC(=O)c1ccc(-n2cccc2)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867762821 MMTSCNYYJRMVBC-WUFINQPMSA-N 501.675 4.395 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCN(c5ccccn5)CC4)nc(-c4ccc(F)cc4)n3)CC2)cc1 1867987763 XYGGPHLQZRGGDX-UHFFFAOYSA-N 525.632 4.340 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)c3n[nH]c(C)c3-c3ccccc3)CC2)cc1 1869066372 UGAZKXONTKWPSI-HHHXNRCGSA-N 523.637 4.084 10 10 KICE N=c1[nH]nc(COc2cn(Cc3ccncc3)c(CNc3ccc(Nc4ccccc4)cc3)cc2=O)s1 1871026071 AKLXSXYBHWITLC-UHFFFAOYSA-N 511.611 4.490 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccc4c(c3)OCO4)C(=O)N(Cc3cccnc3)C2=O)cc1 1873168137 KDLVENXEXYXFLU-UHFFFAOYSA-N 506.562 4.288 10 10 KICE CCCN(CCC)c1ncnc2c1cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2CCCOC 1873555890 DICRSVSFZUNINW-UHFFFAOYSA-N 508.667 4.065 10 10 KICE COc1ccc(N2CCN(CCC(=O)c3ccc(OC(=O)COc4cccc(OC)c4)cc3)CC2)cc1 1874747542 NFFPZUBMCLCCAY-UHFFFAOYSA-N 504.583 4.083 10 10 KICE O=C(O)COc1ccccc1C=C1SC(=S)N(NC(=O)C(c2ccccc2)c2ccccc2)C1=O 2053623196 KWKBKZWYRHHOSC-UHFFFAOYSA-N 504.589 4.215 10 10 KICE COCCCN1C(=O)C(=Cc2c(N3CCC(Cc4ccccc4)CC3)nc3ccccn3c2=O)SC1=S 2296696725 VBUHKZBQJGODPV-UHFFFAOYSA-N 534.707 4.391 10 10 KICE COc1c(I)cc(I)cc1C=C1C(=O)NN(c2ccc(Cl)cc2)C1=O 2297451834 HOVRFJDTZZESFP-UHFFFAOYSA-N 580.547 4.019 10 10 KICE Cc1ccc(C=C2SC(=S)N(CCC(=O)N(Cc3ccc(N4CCCCC4)o3)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 2314829218 RLCPCCFSPJAOBD-JOCHJYFZSA-N 587.789 4.386 10 10 KICE CCN(CC)CCOC(=O)c1ccc(N/C=C2/C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1 17247472 VCSOTDHJBQNBCX-QJOMJCCJSA-N 508.644 4.052 10 10 KICE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3cn(CCOc4ccccc4C)c4ccccc34)C(=N)N21 96460244 RCOWLUYQZGGBOP-SVKNRIHUSA-N 521.624 4.040 10 10 KICE COc1ccc(/C=C2\SC(=S)N(CCC(=O)N3CCN(C4=NC(=O)/C(=C/c5ccc(C)cc5)S4)CC3)C2=O)cc1 100353392 NSAGNGZDZOVVAW-BOYKQRMESA-N 592.768 4.410 10 10 KICE Cc1ccccc1[C@@H]1N[C@](Cc2ccccc2)(C(=O)O)[C@H]2C(=O)N(Cc3ccc4c(c3)C(=O)c3ccccc3C4=O)C(=O)[C@H]21 248109593 RTZHNODFDIPHCJ-ZDUKKHJOSA-N 584.628 4.282 10 10 KICE CC(C)c1nc2c(Cl)cc(C(F)(F)F)cn2c1/C=C1/SC(=S)N([C@@H](CCC(N)=O)C(=O)O)C1=O 1858592829 YPBUKFMBJARDTR-HOVAHTAHSA-N 534.969 4.050 10 10 KICE Cc1cccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3Cc3ccc(F)cc3)[C@@H]2c2ccc(O)c(O)c2)c1 1864011515 IUSOBWVGYYQHJK-VWLOTQADSA-N 514.557 4.110 10 10 KICE NC1=C(C(=O)NC2CC2)[C@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(Cc3ccccc3F)c2O1 1864016492 QJVXIUDWCGFYIC-HSZRJFAPSA-N 512.541 4.122 10 10 KICE CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H]1CCCC[C@@H]1C)=C(N)O2 1864018218 GCQXBNFKBJJQAR-FBOFTVOISA-N 520.605 4.434 10 10 KICE COc1cccc2c1C(=O)N([C@@H](Cc1ccccc1)C(=O)Nc1ccc3c(c1)C(=O)c1ccccc1C3=O)C2=O 1865840454 OOXMWVBQWDVCRE-VWLOTQADSA-N 530.536 4.317 10 10 KICE CN(C)c1ccc([C@@H](CNC(=O)c2ccc3c(c2)C(=O)N(Cc2ccc4c(c2)OCO4)C3=O)N2CCCCC2)cc1 1865880669 UATGCNKHEHVDLX-HHHXNRCGSA-N 554.647 4.235 10 10 KICE CN(C)c1ccc([C@H](CNC(=O)c2c[nH]c3c(I)cccc3c2=O)N2CCCCC2)cc1 1866445041 OXZCZFWCQDVLOD-QFIPXVFZSA-N 544.437 4.156 10 10 KICE CC(=O)Oc1ccc(C[C@@H](NC(=O)c2ccc(OC(C)=O)cc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867717010 LVLIQBDIZDLEPW-SAIUNTKASA-N 614.743 4.288 10 10 KICE COc1ccc(N2CCN(c3nc(=NC[C@H]4CCCO4)nc(Nc4ccc(C(C)(C)C)cc4)[nH]3)CC2)cc1 1871554223 BVPKKHJESCKQHG-RUZDIDTESA-N 517.678 4.261 10 10 KICE COC(=O)COc1c(Br)cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1Br 2313559778 SJWGEAZSZCHKQU-UHFFFAOYSA-N 617.044 4.192 10 10 KICE CC[C@H](Oc1ccccc1C=C1SC(=S)N(NC(=O)c2ccc(Br)cc2)C1=O)C(=O)O 2314933696 XCCHNVSBRLCZHJ-HNNXBMFYSA-N 521.414 4.237 10 10 KICE O=C1/C(=C\c2c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccc(F)cc1 100849997 UOUYRBCUZUKLRX-WGOQTCKBSA-N 615.712 4.286 10 10 KICE COc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)cc1 102577508 XRZSGDCQUUWYJH-MOSHPQCFSA-N 525.633 4.320 10 10 KICE CCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1OC 103814537 YFDUDGJGQVBKIO-RIYZIHGNSA-N 585.192 4.436 10 10 KICE O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C\c1ccc(OCc2ccc3c(c2)OCO3)c(Br)c1 1084379243 WTLLCYSXEVGWAP-IDUWFGFVSA-N 565.332 4.152 10 10 KICE CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN1CCCC1)=C(N)O2 1864009592 BRLRFYDLBWWQTG-AREMUKBSSA-N 545.684 4.231 10 10 KICE Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC(C)C)=C(N)O2 1864011656 JSZGSJLBGVFQMZ-FQEVSTJZSA-N 503.386 4.177 10 10 KICE CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cc(C)ccc1C)=C(N)O2 1864017192 HRIUDVDSBOEIHR-RUZDIDTESA-N 510.594 4.474 10 10 KICE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NCCCOC(C)C)[C@H]2c1ccc(O)c(O)c1 1864017819 VYVABXFMZIAEFM-QHCPKHFHSA-N 536.629 4.006 10 10 KICE CCC[C@@H](NC(=O)Cc1nc(-c2cccc(Cl)c2)oc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868649829 DVSJYFMXDYHYPF-XMMPIXPASA-N 525.049 4.488 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)[C@H](c3ccc(F)cc3)C(C)C)CC2)cc1 1868844974 QTCDDWBIXTZDBI-RPBOFIJWSA-N 501.668 4.161 10 10 KICE COc1ccc(N2CCN(c3cc(N4CC(=O)N5CCc6ccccc6[C@H]5C4)nc(Cc4ccccc4)n3)CC2)cc1 1869084922 DPTRRYPMGCYPFK-SSEXGKCCSA-N 560.702 4.349 10 10 KICE Cc1ccc(CN2C(=O)C(=Cc3c(NC[C@@H]4CCCO4)nc4ccc(C)cn4c3=O)SC2=S)cc1 2296544465 JRTAISSMEZCNOP-IBGZPJMESA-N 506.653 4.304 10 10 KICE CCOC(=O)COc1c(Cl)cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1Br 2297624510 DJWJJTVHZRWGMS-UHFFFAOYSA-N 521.751 4.019 10 10 KICE O=C(CCN1C(=O)C(=Cc2cc(Br)ccc2O)SC1=S)Nc1ccc(C(=O)O)cc1 2314827426 DRQYQJZSRMYOIQ-UHFFFAOYSA-N 507.387 4.083 10 10 KICE C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2c(NCCCn3ccnc3)nc3ccccn3c2=O)SC1=S 34388315 SZTGWZPNTVDPLI-SAGAUJLNSA-N 516.652 4.356 10 10 KICE CCOC(=O)C1=NN(c2ccccc2)C(=O)[C@@H]1[C@@]1([C@H]2C(=O)N(c3ccccc3)N=C2C)C(=O)N(c2ccccc2)N=C1C 100998689 SBQAGAMSLOTOIN-ZAOJZYTHSA-N 576.613 4.017 10 10 KICE COc1cccc([C@@H]2N[C@](Cc3c[nH]c4ccccc34)(C(=O)O)[C@@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@@H]23)c1O 248132544 BFWFRVABJFGYNT-DUXAABNJSA-N 560.006 4.360 10 10 KICE CCCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccncc1)=C(N)O2 1864013288 UZRHOQSJVJVSHA-DEOSSOPVSA-N 546.027 4.355 10 10 KICE Cc1ccc(C)c(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)NC(C)C)[C@H]3c2ccc(O)c(O)c2)c1 1864015044 IODSZHKEJGTJLS-IBGZPJMESA-N 516.520 4.197 10 10 KICE COc1cc(C(=O)NC(C)(C)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c(Br)c(OC)c1OC 1867460788 IPFPTZZOENFMIB-QFIPXVFZSA-N 605.574 4.393 10 10 KICE Cc1oc(-c2cccc(Br)c2)nc1CC(=O)NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1868160706 KLLSPPIFULLDRF-UHFFFAOYSA-N 558.388 4.485 10 10 KICE COCCN1[C@@H](C)CN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(-c3cccc(OC)c3)n2)C[C@@H]1C 1869312579 UHVSJCAAFPYXQC-ZEQRLZLVSA-N 546.716 4.033 10 10 KICE COCCCN1[C@@H](C)CN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(-c3cccc(OC)c3)n2)C[C@H]1C 1869312652 WHECJCCXISWGOI-PLQXJYEYSA-N 560.743 4.423 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)c4sc(C)nc4C)n(-c4ccc(C)cc4)n3)CC2)cc1 1869969606 GMZGQYHJJMLOHR-UHFFFAOYSA-N 503.632 4.237 10 10 KICE COc1ccc(N2CCN(c3nc(=NCc4ccco4)[nH]c(=Nc4cccc(C(C)(C)C)c4)[nH]3)CC2)cc1 1871642749 SYVFXLUPIPDUNH-UHFFFAOYSA-N 513.646 4.297 10 10 KICE COc1ccc(CN2C(=O)C(NCCCn3ccnc3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873168053 HRQLCJKSJOMGMZ-UHFFFAOYSA-N 509.610 4.259 10 10 KICE CC[C@H](C)N1C(=O)C(=Cc2c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)nc3c(C)cccn3c2=O)SC1=S 2296707717 AIXCMDPHFQKVIP-IBGZPJMESA-N 577.732 4.054 10 10 KICE Cc1cc(C)cc(N2C(=O)C(=Cc3cc(C)n(-c4ccc(N5CCOCC5)cc4)c3C)C(=O)NC2=S)c1 2313623814 FPQGJFYNCWCMDU-UHFFFAOYSA-N 514.651 4.379 10 10 KICE CC[C@@H](Oc1cccc(C=C2SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)c1)C(=O)O 2314930466 DPZMCVDMSRTUTP-MRXNPFEDSA-N 521.414 4.237 10 10 KICE COC(=O)c1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(OCc4ccc(C(=O)O)cc4)cc3)C2=O)cc1 33311239 VQCUCNLOALISFU-HMAPJEAMSA-N 500.463 4.257 10 10 KICE CCCn1c(N2CCC[C@H](C)C2)c(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c(C)c(C#N)c1=O 39990081 OVCBJMSEBSBOLW-QIQVEEHJSA-N 500.690 4.055 10 10 KICE COc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3nonc3-c3ccc(OC)cc3C)C2=O)cc1 47133177 MBWRSZAGQRNCOW-UYRXBGFRSA-N 510.597 4.292 10 10 KICE Cc1c(N2C(=O)/C(=C/c3c(N4CCCCCC4)nc4ccccn4c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C 105642851 UAGAYYVNOTZBGY-PYCFMQQDSA-N 572.716 4.279 10 10 KICE CCOCCCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(c2c(C)n(C)n(-c3ccccc3)c2=O)C1=O 110077399 QIJQFOUVGSRERB-XLNRJJMWSA-N 590.731 4.045 10 10 KICE Cc1ccsc1CN(C(=O)CCCN1C(=O)/C(=C\c2ccccc2)SC1=S)[C@H]1CCS(=O)(=O)C1 207325018 XCISGCMKYBOUCL-XPFMCRKWSA-N 534.750 4.254 10 10 KICE Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(F)cc1)=C(N)O2 1864008592 NNCJMWVFDLARGT-HSZRJFAPSA-N 520.948 4.395 10 10 KICE Cc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(F)cc1)=C(N)O2 1864011270 FKEMCRXKHANMJS-XMMPIXPASA-N 534.975 4.455 10 10 KICE CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCCOC(C)C)[C@@H]2c1ccc(O)c(O)c1 1864016124 HWXNQFUVPQUXNK-HSZRJFAPSA-N 520.630 4.243 10 10 KICE CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCc1cccnc1)[C@@H]2c1ccc(O)c(O)c1 1864016240 KFKWCWHHHSOCFL-HSZRJFAPSA-N 511.582 4.023 10 10 KICE CN(C)[C@@H](C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1 1866698719 QQLWSYBTCDWOEW-XRKRLSELSA-N 531.612 4.431 10 10 KICE CC[C@@H](NC(=O)CCCC(=O)c1ccc(Br)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868732867 UQKIOCTXWBDXRW-HSZRJFAPSA-N 530.463 4.054 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)c3nc(C(C)(C)C)n4ccccc34)CC2)cc1 1868783167 FVWBVUOUKOGESR-AREMUKBSSA-N 539.680 4.330 10 10 KICE Cc1ccc2nc(NCCCOC(C)C)c(C=C3SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(=O)n2c1 2296846670 OYGYWHDPIYPREU-UHFFFAOYSA-N 552.678 4.360 10 10 KICE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1cc(Br)c(O)c(Br)c1 2313559638 ISLUMNXBBKMKPB-UHFFFAOYSA-N 544.981 4.346 10 10 KICE Cc1cc(Br)ccc1N1C(=O)C(=Cc2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)C(=O)NC1=S 2313564955 IIFAFOPHJXXPTF-UHFFFAOYSA-N 582.432 4.393 10 10 KICE CC[C@@H](Oc1ccc(C=C2SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)cc1)C(=O)O 2314929316 KZAILLHZTWOIDN-MRXNPFEDSA-N 521.414 4.237 10 10 KICE CCC(=CC(=O)N[C@@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(Br)ccc1OC 2321381592 LIAFEBHXRTVBCX-QHCPKHFHSA-N 577.431 4.142 10 10 KICE COC(=O)CN1C(=O)/C(=C\c2ccc(OCc3ccc(Br)cc3)c(OC)c2)SC1=S 1238550 CJYLCGKSNBVDEE-VCHYOVAHSA-N 508.415 4.411 10 10 KICE CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)c(=O)n2[C@@H]1c1cccs1 2053794 BMCGBNOFRRQPQP-LMSRTUJASA-N 575.712 4.362 10 10 KICE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3CCC(C(N)=O)CC3)=NC2=O)c(C)c1 33686453 YXXQABXLBOBINF-HZHRSRAPSA-N 501.612 4.024 10 10 KICE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3/SC(N4CCC(C(N)=O)CC4)=NC3=O)c2)C1 1554269040 ZQUSOGAKBSXZNZ-VVHWNIANSA-N 632.812 4.374 10 10 KICE CCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCCC1)=C(N)O2 1864017147 GXYSKSKYMANYMN-XMMPIXPASA-N 518.614 4.388 10 10 KICE CCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cccs1)=C(N)O2 1864019615 NHKSPVIONLRZHM-QHCPKHFHSA-N 516.623 4.020 10 10 KICE CCc1ccc(COc2cn(CCCCCO)c(CN3CCN(c4ccc(OC)cc4)CC3)cc2=O)cc1 1870467749 YLEUBMRRNRFPBI-UHFFFAOYSA-N 519.686 4.483 10 10 KICE CCOC(=O)COc1cn(CCCN2CCCC2=O)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871144523 RECZJZUJDYZVKG-UHFFFAOYSA-N 518.614 4.158 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCCN(C)C)C(=O)N(CCc3cn(C)c4ccccc34)C2=O)cc1 1873165920 WQVLUCCSTMITJX-UHFFFAOYSA-N 509.654 4.060 10 10 KICE CC(=O)NCCN1C(=O)C(Nc2ccccc2C(F)(F)F)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422094 FXXKELDTVJORPY-UHFFFAOYSA-N 510.516 4.441 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(Cl)cc3)C(=O)N(CCN3CCOCC3)C2=O)cc1 1873426092 UDKQVGRGGHPJRR-UHFFFAOYSA-N 505.018 4.272 10 10 KICE COc1cc(C=C2C(=N)N3C(SC)=NSC3=NC2=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 2297345132 USMKISHZAVQGEB-UHFFFAOYSA-N 537.044 4.364 10 10 KICE COc1cc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCc1cccc2ccccc12 2297345899 LLIHHKJOCAPARV-UHFFFAOYSA-N 520.592 4.049 10 10 KICE CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccccc3F)C2=O)ccc1O[C@H](CC)C(=O)O 2314935205 NPFJOQKSKFSMHB-MRXNPFEDSA-N 504.561 4.013 10 10 KICE CC1=NN(c2ccc(F)cc2)C(=O)/C1=C/c1c(C)nn(-c2ccc(I)cc2)c1O 83330033 PBGYHHIKHIRCDP-WOJGMQOQSA-N 502.287 4.436 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3cc([N+](=O)[O-])ccc3Cl)c3ccccc3)CC2)cc1 1862297535 KDUQKFLKVUMOAN-XMMPIXPASA-N 508.962 4.077 10 10 KICE CCN(CC)CCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2cc(C)ccc2C)[C@H]1c1ccc(O)c(O)c1 1864012152 SOXRCJJMXUWLKH-HHHXNRCGSA-N 547.700 4.201 10 10 KICE CCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cccs1)=C(N)O2 1864019614 NHKSPVIONLRZHM-HSZRJFAPSA-N 516.623 4.020 10 10 KICE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1ccc(C)cc1)[C@@H]2c1ccc(O)c(O)c1 1864023326 YDOPDBVRIOJDNJ-GOSISDBHSA-N 502.493 4.043 10 10 KICE CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1ccc(CC)cc1 1865495855 FFTJIVPYDQVJGX-SANMLTNESA-N 515.658 4.216 10 10 KICE CCC[C@@H](NC(=O)[C@@H]1CCCN1Cc1ccccc1F)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866919424 PTAQYIQLCAXHPI-FTJBHMTQSA-N 527.596 4.489 10 10 KICE O=C(CC[C@H]1CCS(=O)(=O)C1)N[C@@H](CSCc1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866927189 MCHKFLCGFBVULE-LVXARBLLSA-N 590.723 4.034 10 10 KICE CCC[C@@H](NC(=O)c1c(OC)cccc1OC)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867364490 LJWWDWOLWUPWHZ-DNQXCXABSA-N 510.679 4.012 10 10 KICE COc1cc(C(=O)N[C@@H](C)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c(Br)c(OC)c1OC 1867451425 SIMAFMVMQSQZMR-AVRDEDQJSA-N 591.547 4.003 10 10 KICE CCCC[C@H](NC(=O)CCCc1ccc(OC)c(OC)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868727018 MFXUCWZYVGTCBV-VWLOTQADSA-N 511.663 4.059 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)c4ccc5nc(C)c(C)nc5c4)n(C(C)(C)C)n3)CC2)cc1 1869970827 RDQCBUHIWWUVHO-UHFFFAOYSA-N 514.634 4.181 10 10 KICE O=c1cc(CNc2ccc(Nc3ccccc3)cc2)n(CCO)cc1OCc1cnnn1Cc1ccccc1 1870863056 DJMLPCFHHKHJRJ-UHFFFAOYSA-N 522.609 4.415 10 10 KICE CCCCN=c1nc(Nc2ccc(N3CCCC3)cc2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871675306 DEHGWNIINHTWOW-UHFFFAOYSA-N 502.667 4.185 10 10 KICE CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OCCCOc4ccccc4Cl)cc3)C(=N)N21 2297345667 QVBGBXAZDPAJRN-UHFFFAOYSA-N 533.031 4.199 10 10 KICE CCCCNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(CCc2ccc(OC)c(OC)c2)C1=O 35362711 GLZLVAMEQDBABY-LTGZKZEYSA-N 524.668 4.368 10 10 KICE COc1ccc(N2CCN([C@@H](CNC(=O)C3(c4ccc(OC)cc4)CCOCC3)c3ccco3)CC2)cc1 49486494 OWJLTXDHQFPJFB-MHZLTWQESA-N 519.642 4.025 10 10 KICE CCOC(=O)c1c(NC(=O)C(=O)NCCCn2ccnc2)sc(C)c1-c1ccc(Br)cc1 1860757939 CKFGKXKKDSUYRT-UHFFFAOYSA-N 519.421 4.004 10 10 KICE COc1ccc(-c2nn(C)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)NCc2ccccc2Cl)=C(N)O3)cc1 1864023094 UKBBFXFALDEYNL-QFIPXVFZSA-N 532.984 4.171 10 10 KICE C[C@@H](NC(=O)[C@H](Cc1ccncc1)c1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866688325 IOURBFWVQBZPKG-KBMIEXCESA-N 503.558 4.327 10 10 KICE CN(C)c1ccc([C@H](CNC(=O)C(C)(C)NC(=O)c2cccc(Br)c2)N2CCCCC2)cc1 1867407965 MJCNAACXRNXQIX-QHCPKHFHSA-N 515.496 4.367 10 10 KICE CC(=O)NCCN1C(=O)C(NCc2ccc(OC(C)(C)C)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873162631 FLIAXUYGTCCSHD-UHFFFAOYSA-N 528.653 4.277 10 10 KICE COc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCN(C)C)C2=O)c(OC)c1 1873421332 RUWOZROIKHOCOU-UHFFFAOYSA-N 502.615 4.255 10 10 KICE CCOCCCN1C(=O)C(Nc2cccc(C(=O)OC)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422529 BUAXQWWQLBEBML-UHFFFAOYSA-N 501.583 4.499 10 10 KICE Cc1cccn2c(=O)c(C=C3SC(=S)N(CC(C)C)C3=O)c(N3CCN(c4ccccc4F)CC3)nc12 2296266032 MVQBMNGDHFPHKC-UHFFFAOYSA-N 537.686 4.326 10 10 KICE C[C@@H](C(=O)O)N1C(=O)C(=Cc2cc(Br)ccc2OCC(=O)Nc2ccc(F)cc2)SC1=S 2314397514 TWHKFRFGRQCNNS-NSHDSACASA-N 539.404 4.280 10 10 KICE Cc1ccc(C=C2SC(=S)N(CCC(=O)N(Cc3sccc3C)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 2314600194 QLMKHXXSUHPECQ-LJQANCHMSA-N 534.750 4.172 10 10 KICE CCCOC(=O)[C@@H](c1ccccc1)N1C(=O)C(=Cc2ccc(OCC(=O)N3CCOCC3)c(OCC)c2)SC1=S 2314769500 RHSIOCUWUOMDDH-AREMUKBSSA-N 584.716 4.219 10 10 KICE NS(=O)(=O)c1ccc(NC(=O)CCCN2C(=O)C(=Cc3cccc(Cl)c3Cl)SC2=S)cc1 2314831725 QRAQRPHSPLMRPL-UHFFFAOYSA-N 530.480 4.261 10 10 KICE COc1ccc(S(=O)(=O)Oc2ccc(/C=C3\C(=N)N4N=C(c5ccc(C)cc5)SC4=NC3=O)cc2)cc1 102447410 ZWDBXZFSWRPICG-XTOVRFJNSA-N 532.603 4.439 10 10 KICE CCn1c(N2CCCC2)c(/C=C2\SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)c(C)c(C#N)c1=O 110520998 BDTASCKTDSNOAO-HAHDFKILSA-N 538.695 4.110 10 10 KICE C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)CCN2C(=O)/C(=C\c3cccs3)SC2=S)[C@@H]2CCS(=O)(=O)C2)o1 207312787 RQHFZRIZNZIEDL-RVUYRAEZSA-N 550.749 4.272 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 1084152699 IAQIPPWXSJGIRO-MHZLTWQESA-N 588.642 4.041 10 10 KICE COc1ccc(C(=O)N[C@H](CSCc2ccccc2)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1862058531 RDNHCSUIINFLGY-HHHXNRCGSA-N 519.667 4.084 10 10 KICE Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1F)=C(N)O2 1864008184 FCWVEBQLVGEMFA-HSZRJFAPSA-N 520.948 4.395 10 10 KICE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccco1)=C(N)O2 1864010620 PDHPJJDRXBIWQS-JOCHJYFZSA-N 520.973 4.493 10 10 KICE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)N[C@@H]2CCCC[C@@H]2C)[C@@H]3c2ccc(O)c(O)c2)cc1 1864011479 IBDSZAAIGWMCOK-SMTRDTIPSA-N 502.615 4.349 10 10 KICE C[C@H](NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2C)[C@H]1c1ccc(O)c(O)c1)c1ccc2c(c1)CCCC2 1864014849 DXYLXALWEUMSDG-RNODOKPDSA-N 528.531 4.301 10 10 KICE CCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(C)cc1)=C(N)O2 1864017070 DSNPRSBZCHQQNY-RUZDIDTESA-N 526.593 4.174 10 10 KICE Cc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1CCO)=C(N)O2 1865028973 CMUBELYZJUMTPP-JIPXPUAJSA-N 540.620 4.203 10 10 KICE CN(C)c1ccc([C@@H](CNC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)N2CCCCC2)cc1 1867782895 XQICPAXABGCOJM-LXANVCGNSA-N 646.764 4.321 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3cc(-c4cccc(OC)c4)on3)c3ccccc3)CC2)cc1 1868964294 JBDCTXBPBFKILD-MUUNZHRXSA-N 526.593 4.179 10 10 KICE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)N3CCCCC3)n4Cc3ccco3)CC2)cc1 1873563121 IYYYIZIIOOQHHT-UHFFFAOYSA-N 500.603 4.034 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)c3ccc(F)cc3F)CC2)cc1 1874643337 WZWAOLGTFZVKRL-HHHXNRCGSA-N 518.564 4.145 10 10 KICE CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OCc4ccccc4)c(Br)c3)C(=N)N21 2297345739 XERSWKCWQIRBPU-UHFFFAOYSA-N 533.429 4.039 10 10 KICE COc1cc(C=C2C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)ccc1OCc1ccccc1Cl 2297556080 YMCBMNDYUSEEAW-UHFFFAOYSA-N 511.987 4.381 10 10 KICE C[C@@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3\SC(N4CCC(C(N)=O)CC4)=NC3=O)c2)C1 101014684 TWOSGVWQEAJCEM-CPYLFOLBSA-N 618.785 4.128 10 10 KICE COC(=O)[C@@H](Cc1ccccc1)NC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 1616128622 RRQJHWBFJPKXSV-RNAHPLFWSA-N 536.632 4.079 10 10 KICE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCc1cccs1)[C@H]2c1ccc(O)c(O)c1 1864015935 GUAQECWYMBVBMU-QFIPXVFZSA-N 516.623 4.486 10 10 KICE Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NC(c1ccccc1)c1ccccc1)[C@@H]2c1ccc(O)c(O)c1 1864016059 ZITGEGFNTHSBMD-HXUWFJFHSA-N 536.510 4.451 10 10 KICE CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCc1ccccn1)[C@@H]2c1ccc(O)c(O)c1 1864016456 PNEUHROFLHUFLN-HSZRJFAPSA-N 511.582 4.023 10 10 KICE CN(C)c1ccc([C@H](CNC(=O)[C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)N2CCCCC2)cc1 1866024358 PNTMLIHJHWOCQF-WDYNHAJCSA-N 524.665 4.303 10 10 KICE C[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867420873 LMKUZEWIIWJZFN-WBBHLRKXSA-N 595.744 4.053 10 10 KICE COCCN(CCOC)c1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(-c2ccccc2Cl)n1 1867979005 BZFHSZGDSRIFAZ-UHFFFAOYSA-N 512.054 4.231 10 10 KICE CC[C@](C)(NC(=O)Cc1nc(-c2ccc(Cl)cc2)oc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868648923 FPEDRAHFSPXHQO-NDEPHWFRSA-N 525.049 4.488 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccc(C(=O)OCC)cc4)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 252667119 CTKPUFPLWSOYBG-NDEPHWFRSA-N 585.682 4.301 10 10 KICE Cc1nc(N=Nc2ccc(N([IH2]=O)[IH2]=O)cc2C(=O)O)sc1C 585660817 OSHYZSMFFSBJFE-UHFFFAOYSA-N 564.143 4.072 10 10 KICE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCc1c[nH]c3ccccc13)[C@@H]2c1ccc(O)c(O)c1 1864021812 GYHQIGVOOMVRIM-HXUWFJFHSA-N 541.530 4.258 10 10 KICE CN(C)[C@@H](C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1 1866705334 VARPTJFGBLLJHL-XRKRLSELSA-N 547.611 4.137 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)Cc3ccc(F)c(C)c3)CC2)cc1 1874642627 JSMZWLDYUSFGDY-LJAQVGFWSA-N 528.628 4.243 10 10 KICE CCOc1cc(C=C2C(=N)N3N=C(S(=O)(=O)CC(C)C)SC3=NC2=O)ccc1OCc1ccccc1 2297499988 CDHJTUBHULIFPK-UHFFFAOYSA-N 526.640 4.312 10 10 KICE CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)Nc4ccccc4)cc3)C2=O)c1 2313556739 JXRKSCRQZSQZHO-UHFFFAOYSA-N 529.549 4.168 10 10 KICE O=C1C(=Cc2c(N3CCC4(CC3)OCCO4)nc3ccccn3c2=O)SC(=S)N1Cc1ccccc1Cl 2314433611 PNPYCDYKVWTRNB-UHFFFAOYSA-N 555.081 4.093 10 10 KICE COc1ccc(N2CCN(c3ncnc4sc(C(=O)N5CCN(c6ccc([N+](=O)[O-])cc6)CC5)c(C)c34)CC2)cc1 100664755 WJIVENDQTPIYOB-UHFFFAOYSA-N 573.679 4.206 10 10 KICE CCOC(=O)C1=C(C)N=c2s/c(=C/C(Br)=C/c3ccccc3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 105537521 DKXBSABTBCBUJL-OBTLQIBDSA-N 552.494 4.252 10 10 KICE COc1c(Br)cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1I 1084270305 FOLHPKVXMVKZMU-POHAHGRESA-N 561.170 4.033 10 10 KICE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCC(C)C)=C(N)O2 1864013733 ZJJAAJOJTOIYEL-XMMPIXPASA-N 504.631 4.379 10 10 KICE CN(C)c1ccc([C@H](CNC(=O)c2ccc3c(c2)C(=O)N(Cc2ccc4c(c2)OCO4)C3=O)N2CCCCC2)cc1 1865880671 UATGCNKHEHVDLX-MHZLTWQESA-N 554.647 4.235 10 10 KICE CSCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(CC(C)C)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867423636 KWHYNQXYVSWDHV-VMPREFPWSA-N 607.821 4.200 10 10 KICE CCCCCOC(=O)COc1cn(CCOCCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870845584 XZJSIHNJQLJVLM-UHFFFAOYSA-N 523.630 4.325 10 10 KICE CCCN=c1nc(Nc2ccc(N(CC)CC)cc2C)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871708132 WBMAIKJFTXDMDW-UHFFFAOYSA-N 504.683 4.349 10 10 KICE CCOC(=O)c1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCN(C)C)C2=O)c1 1873421181 KURUVKYIYJSYMX-UHFFFAOYSA-N 514.626 4.415 10 10 KICE COc1ccc(C=C2C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1CN1C(=O)c2ccccc2C1=O 2295924305 SZXBEEKUKKUKNR-UHFFFAOYSA-N 549.461 4.177 10 10 KICE CCOc1cc(C=C2C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCC(=O)NCc1ccccc1 2297104961 YXMYUMJLCLUPHZ-UHFFFAOYSA-N 533.968 4.100 10 10 KICE CC[C@@H](C)N1C(=O)C(=Cc2c(N3CCN(c4ccccc4OC)CC3)nc3ccc(C)cn3c2=O)SC1=S 2297460329 JGPXLHXYGTUGOU-LJQANCHMSA-N 549.722 4.338 10 10 KICE C[C@@H]1C[C@H]1c1ccc(CN(C(=O)CCN2C(=O)C(=Cc3cccs3)SC2=S)[C@@H]2CCS(=O)(=O)C2)o1 2314829238 RQHFZRIZNZIEDL-GPMSIDNRSA-N 550.749 4.272 10 10 KICE COc1cc(C=C2SC(=S)N(Cc3ccc(S(N)(=O)=O)cc3)C2=O)ccc1OCc1ccccc1 2323686470 CRUVCWSNXGCPQG-UHFFFAOYSA-N 526.661 4.323 10 10 KICE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3cc(C)n(-c4cccc(C(F)(F)F)c4)c3C)C(=N)N21 20206901 BKOOBWFEGQXNDF-HZTCEOFUSA-N 509.535 4.124 10 10 KICE CC[C@@H](C)c1ccc(OCCOc2ccc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2)cc1 104557827 OCDRTZGBGNVQEH-CVXYCLCASA-N 526.640 4.279 10 10 KICE COc1ccc(OCCCC(=O)N[C@H](C(=O)N2CCN(c3ccc(OC)cc3)CC2)c2ccccc2)cc1 1862236508 YSIISJRJNUFSBG-LJAQVGFWSA-N 517.626 4.069 10 10 KICE CCC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(C)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867876821 HGOVAPMDJJERFY-AZGAKELHSA-N 509.651 4.211 10 10 KICE CCc1ccc(/C(C)=C/C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1868660929 IRJYQEAIXIHPGD-CVSSFELZSA-N 527.665 4.443 10 10 KICE O=C1C(=Cc2c(NC[C@@H]3CCCO3)nc3ccccn3c2=O)SC(=S)N1CCCc1ccccc1 2297460077 HMXMTTCZJKRXIG-IBGZPJMESA-N 506.653 4.119 10 10 KICE Cc1cc(Br)ccc1N1C(=O)N=C(O)/C(=C\c2cn(CC(=O)N3CCOCC3)c3ccccc23)C1=O 33353913 AUMJWOUEQRYYCE-DEDYPNTBSA-N 551.397 4.078 10 10 KICE Cc1ccc2c(c1)/C(=C1\SC(=S)N(NC(=O)COc3cc(Cl)c(Cl)cc3Cl)C1=O)C(=O)N2CC(=O)O 100844246 MKZJOQNYRWGULC-VHEBQXMUSA-N 586.862 4.068 10 10 KICE O=C1N=C(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)S/C1=C/c1ccc(OS(=O)(=O)c2ccccc2)cc1 103100259 UTTGQFCQKKBAEJ-HKOYGPOVSA-N 550.618 4.155 10 10 KICE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C[C@@H]4CCCO4)C3=O)c(N3CCN(c4cccc(Cl)c4)CC3)nc12 103867885 GVVLWNDSOMFLEK-UYSKRRQASA-N 582.151 4.363 10 10 KICE O=c1[nH]ncn1-c1ccc(N2CCN(c3ccc(OC[C@H]4CO[C@](Cn5cncn5)(c5ccc(Cl)cc5Cl)O4)cc3)CC2)cc1 163318534 FBAPZOQKYAPBHI-DHIFEGFHSA-N 649.539 4.133 10 10 KICE COC(=O)c1ccc(C(=O)OC)c(N2C(=O)C(O)=C(c3cccc(OC)c3)[C@@H]2c2ccc(N(C)C)cc2)c1 526602276 LZAFSQSDLLONNO-VWLOTQADSA-N 516.550 4.392 10 10 KICE Cc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccccc1)=C(N)O2 1864010949 CMFHIKVJAUPXDD-RUZDIDTESA-N 531.012 4.358 10 10 KICE NC1=C(C(=O)NCc2ccccn2)[C@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3ccccc3)c2O1 1864013548 CCNYGSRZXKOTOZ-RUZDIDTESA-N 531.572 4.357 10 10 KICE CCCc1nn(CCC)c2c1[C@@H](c1cc(C)ccc1O)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865197362 GDFWTNHJLVNGSF-AREMUKBSSA-N 545.684 4.312 10 10 KICE Cc1ccc(C(=O)N[C@H](C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c2ccccc2)cc1S(=O)(=O)N(C)C 1866638013 JRMYTWWIZKIZDN-NDEPHWFRSA-N 581.650 4.131 10 10 KICE COc1ccc(C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867312839 AMZGVCKBTXOKDL-IHLOFXLRSA-N 544.696 4.151 10 10 KICE COc1ccc(N2CCN(c3cc(N(CCO)Cc4ccccc4)nc(-c4cccc(OC)c4)n3)CC2)cc1 1867991483 ABGTTYLCTQGQFU-UHFFFAOYSA-N 525.653 4.486 10 10 KICE CCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCNC(=O)[C@@H]2c2ccc(F)cc2)n1 1868275908 YEPPLZNBUDTCJO-MHZLTWQESA-N 521.552 4.375 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCC[C@H]4C(=O)NCc4ccccc4)nc(-c4cccnc4)n3)CC2)cc1 1869358089 OIVSITRZIUEWMG-NDEPHWFRSA-N 549.679 4.159 10 10 KICE CCCCCn1cc(OCC(=O)N(C)CCCC)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870513322 NXWGZHSXPIPVJX-UHFFFAOYSA-N 512.695 4.007 10 10 KICE COc1ccc(N2CCN(c3nc(=NCc4cccnc4)nc(Nc4ccc(Cl)cc4)[nH]3)CC2)cc1 1871522568 OSZJCCMQPWSVDB-UHFFFAOYSA-N 503.010 4.033 10 10 KICE COc1ccc(N2CCN(C(=O)c3ccc(CNS(=O)(=O)c4c(C)c(C)cc(C)c4C)cc3)CC2)cc1 1892143121 MXTWQOBTKWAMOL-UHFFFAOYSA-N 521.683 4.370 10 10 KICE COc1cc(C=C2C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OCCOc1ccc([N+](=O)[O-])cc1 2293615609 IMQCIVHHRCJOJB-UHFFFAOYSA-N 509.544 4.336 10 10 KICE C[C@H]1CN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N([C@H](C)c3ccccc3)C2=O)C[C@@H](C)O1 2296541888 DMILYCJQXMSZDS-FGTMMUONSA-N 506.653 4.271 10 10 KICE COc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC(C)C)ccc1OCc1ccccc1C 2297345599 KSGJYPXNNQRZEM-UHFFFAOYSA-N 526.640 4.230 10 10 KICE COc1cc(C=C2SC(=S)N(NC(=O)c3ccc(C(C)(C)C)cc3)C2=O)ccc1OCC(=O)O 2314933138 UFBNLWBJFDRUNR-UHFFFAOYSA-N 500.598 4.002 10 10 KICE C[C@H]1CCCN(C2=NC(=O)/C(=C\c3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N(C)C)c3)S2)C1 103572674 HYKQMXKPAACTDH-JWGRYVKWSA-N 535.695 4.492 10 10 KICE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)N2CCCCCC2)[C@H]3c2ccc(O)c(O)c2)c1 1865028763 ZYASRMJJGDRNHF-VWLOTQADSA-N 502.615 4.365 10 10 KICE C[C@H]1CCCCN1C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1865032159 WYQKXNSCMVIDHK-LIRRHRJNSA-N 514.504 4.398 10 10 KICE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@H](NC(=O)c3n[nH]c4c3CCCC4)c3ccccc3)cccc21 1866852993 HHCRFMHUWKQAHQ-RUZDIDTESA-N 504.546 4.174 10 10 KICE CC[C@H](NC(=O)c1nc(CC(C)C)n2ccccc12)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866865322 QZSUTECEDADILD-NRFANRHFSA-N 508.578 4.455 10 10 KICE CC(=O)CN1CCN(c2cc(Nc3cccc4c3C(=O)c3ccccc3C4=O)nc(Cc3ccccc3)n2)CC1 1868208352 HWVKEEXQGHPRPB-UHFFFAOYSA-N 531.616 4.297 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)[C@H](C)c3ccc(Br)cc3)C(C)C)CC2)cc1 1868829938 JETCYNZWTLFMKB-JPYJTQIMSA-N 502.453 4.051 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)c3cc(C4CC4)n4nc(C5CC5)cc4n3)CC2)cc1 1868984689 MKOIDIKCFZFLHQ-LJAQVGFWSA-N 564.690 4.183 10 10 KICE COc1ccc(N2CCN(c3nc(=NC(=O)c4ccc(-n5cccc5)cc4)n(-c4ccccc4)[nH]3)CC2)cc1 1869971143 ZDJOIUZXNPSKQF-UHFFFAOYSA-N 519.609 4.067 10 10 KICE COC(=O)c1ccc(CSc2nc3ccc(C(=O)N4CCN(c5ccc(OC)cc5)CC4)cc3[nH]2)o1 1872825257 UROFQXLWFDWLLC-UHFFFAOYSA-N 506.584 4.206 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCCCN3CCOCC3)C(=O)N(CCc3cn(C)c4ccccc34)C2=O)cc1 1873170165 PTBHOLVFZAFOTA-UHFFFAOYSA-N 565.718 4.220 10 10 KICE Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOCCOCCCCCCN=[N+]=[N-])C(C)(C)C)cc1 2080389988 AZGJMFKKWCUJTE-WYMKREKISA-N 834.050 4.198 10 10 KICE O=C1C(=Cc2cccs2)SC(=S)N1CCC(=O)N(Cc1ccc(N2CCCCC2)o1)[C@H]1CCS(=O)(=O)C1 2314828793 KDGZIEVMVNHVDM-SFHVURJKSA-N 579.791 4.139 10 10 KICE CC[C@@H](Oc1ccccc1C=C1SC(=S)N(NC(=O)c2ccccc2Br)C1=O)C(=O)O 2314931883 ITKIYYOKIVWVTE-OAHLLOKOSA-N 521.414 4.237 10 10 KICE COc1ccc(CCN2C(=O)/C(=C3\C(=O)Nc4ccc(Br)cc43)SC2=S)cc1OC 1087680 ZZBLOPGMEDFJCK-ISLYRVAYSA-N 505.415 4.233 10 10 KICE CCCC[C@H](NC(=O)CCc1ccc(Br)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861951320 BSUPQLCYQWWEQA-DEOSSOPVSA-N 516.480 4.414 10 10 KICE CCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCC(C)C)=C(N)O2 1864020066 VLBYDBFUHREYEM-FQEVSTJZSA-N 527.419 4.075 10 10 KICE CCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)C[C@@H](C)C1)=C(N)O2 1865032629 HFRGPJSSWUJQHR-RRQZXNHTSA-N 516.642 4.413 10 10 KICE COC(=O)c1c(NC(=O)[C@H](CCC(N)=O)NC(=O)OCc2ccccc2)sc(C)c1-c1ccccc1 1866116080 DWUUAQDQEMBISP-IBGZPJMESA-N 509.584 4.009 10 10 KICE CCCC[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866872243 XPPARCYCBBKWGA-KBMIEXCESA-N 523.589 4.129 10 10 KICE CC(=O)Oc1ccc(C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867718618 NFXFYCPHUDJLJS-JSOSNVBQSA-N 572.706 4.068 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)[C@H](C)c3ccc(Br)cc3)C(C)C)CC2)cc1 1868829940 JETCYNZWTLFMKB-WZONZLPQSA-N 502.453 4.051 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)CCc3csc(-c4ccccn4)n3)c3ccccc3)CC2)cc1 1868908005 BNKNHVXLIYNSLV-MUUNZHRXSA-N 541.677 4.353 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)c4ccc5c(c4)C(=O)CCC5)n(-c4ccccc4)n3)CC2)cc1 1869970289 HPHZABIYPMOGOF-UHFFFAOYSA-N 522.609 4.374 10 10 KICE COc1ccc(N2CCN(Cc3cc(=O)c(OCC4CCCCC4)cn3CCCn3ccnc3)CC2)cc1 1870484156 VOXHPMMCYQWJNK-UHFFFAOYSA-N 519.690 4.425 10 10 KICE CCN(CC)CCN1C(=O)C(NCCOc2ccccc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873164913 YFNUFYXENRWAOF-UHFFFAOYSA-N 500.643 4.184 10 10 KICE COc1cc(C=C2C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OCc1ccccc1[N+](=O)[O-] 2296073433 AAHXLAIEJUNXJI-UHFFFAOYSA-N 514.523 4.245 10 10 KICE CC1=NN(c2ccc(Br)cc2)C(=O)C1=CNc1ccc(S(=O)(=O)Nc2nccs2)cc1 2297320206 CSSZXXCQHPKPNV-UHFFFAOYSA-N 518.418 4.425 10 10 KICE Cc1cc(/C=C2/C(=O)N(C)c3ccc(S(=O)(=O)N4CCOCC4)cc32)c(C)n1-c1ccc(Cl)cc1 33592352 OMDSPPLZCXNHSZ-BUVRLJJBSA-N 512.031 4.285 10 10 KICE COc1cc(C=O)ccc1OCC(=O)N1N=C(c2ccc([N+](=O)[O-])cc2)C[C@@H]1c1ccc(N(C)C)cc1 72413316 IVIZULKYBPOXII-XMMPIXPASA-N 502.527 4.239 10 10 KICE COCCCNc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(CCCc2ccccc2)C1=O 97464759 WSEMDMMTGKXAMN-HEHNFIMWSA-N 508.669 4.285 10 10 KICE COc1ccc(N2CCN(c3ccc(NC(=O)C4CC4)cc3S(=O)(=O)N[C@@H](C)c3ccccc3)CC2)cc1 101356937 YQKWHGGIBGVYFP-NRFANRHFSA-N 534.682 4.410 10 10 KICE CCOC(=O)c1ccc(N2C(=O)C[C@H](N3C(=O)/C(=C/C(C)=C/c4ccccc4)SC3=S)C2=O)cc1 101974131 AIZZJYLDTFYRPB-OSTYBKSYSA-N 506.605 4.343 10 10 KICE COc1cccc(/C=C2/SC(=S)N(CCCC(=O)NCCc3ccc(OC)c(OC)c3)C2=O)c1 102429267 LSMQRUYEHLIUAM-CJLVFECKSA-N 500.642 4.053 10 10 KICE COc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C(=O)NC2=S)c(OC)c1 103781078 BDJDAZMIHDEQCH-MHWRWJLKSA-N 558.366 4.466 10 10 KICE CCOc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC)ccc1OCc1ccccc1Cl 104560713 YQADBULCMSTRBZ-SVBOREBNSA-N 533.031 4.329 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)cc3)c(=O)n2[C@H]1/C=C\c1ccccc1 254294263 MTMMWWZCWPGIKB-UHTXMXTOSA-N 501.652 4.310 10 10 KICE O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C\c1ccc(OCc2cccc(F)c2)c(I)c1 1084033597 ASBZQZFNVQATFT-NVMNQCDNSA-N 586.313 4.404 10 10 KICE CCN(CC)C(=O)COc1ccc(-c2c(C)sc(NC(=O)C(=O)NC3CCN(C(=O)OC(C)(C)C)CC3)c2C(=O)OC)cc1 1860763461 HEIIQNWEPRSBOP-UHFFFAOYSA-N 630.764 4.212 10 10 KICE CCN(CC)CCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2Cl)[C@@H]1c1ccc(O)c(O)c1 1864008790 SDUVEIDSHQFMBY-DEOSSOPVSA-N 540.064 4.178 10 10 KICE CCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1864018351 JBKSBMUJCOJNDG-LJQANCHMSA-N 503.386 4.043 10 10 KICE CC[C@H](C)NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(F)cc2)[C@@H]1c1ccc(O)c(O)c1 1864023485 ZKUNQWAXHBHYFB-SGTLLEGYSA-N 520.483 4.110 10 10 KICE Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)N2CCCCC2)[C@@H]3c2ccc(O)c(O)c2)cc1 1865033863 JBRSNDRTPXQJQT-HXUWFJFHSA-N 528.531 4.377 10 10 KICE O=C(Nc1c(Cl)cc(Cl)cc1C(=O)O)c1ccc2c(c1)C(=O)N(Cc1ccc3c(c1)OCO3)C2=O 1865879497 GMPIULOIWDQZRA-UHFFFAOYSA-N 513.289 4.469 10 10 KICE COc1cccc(-c2nc(CC(=O)N[C@@H](C)C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c(C)o2)c1 1866671554 MKJYPAPAYIZCOV-INIZCTEOSA-N 523.545 4.120 10 10 KICE CCC[C@@H](NC(=O)c1cc(OC)c(OC)c(OC)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867338051 AKPKCVLMMWGZFN-JWQCQUIFSA-N 540.705 4.020 10 10 KICE CCC[C@H](NC(=O)[C@H](C)c1ccc(Br)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868837156 BIDLGCOQARDITF-JPYJTQIMSA-N 502.453 4.195 10 10 KICE CC[C@H](NC(=O)CCc1nc(-c2ccc(OC)cc2)cs1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868917882 UFNUKDWKCNGJES-DEOSSOPVSA-N 522.671 4.004 10 10 KICE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4cccc(C)c4)cn3C[C@@H]3CCCO3)CC2)cc1 1870619550 OGTHXRKTPHTGOG-NDEPHWFRSA-N 503.643 4.246 10 10 KICE COc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCn3ccnc3)C2=O)cc1[N+](=O)[O-] 1873423653 OKPWHKRCALXSDY-UHFFFAOYSA-N 540.580 4.490 10 10 KICE COc1ccc(N2CCN(CCC(=O)c3ccc(OC(=O)C4(c5ccc6c(c5)OCO6)CC4)cc3)CC2)cc1 1874749042 ZYLHCRYEPAAVAI-UHFFFAOYSA-N 528.605 4.456 10 10 KICE O=C(O)CCN1C(=O)C(=Cc2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)SC1=S 2293415030 FBGWFENTOJKARQ-UHFFFAOYSA-N 510.515 4.399 10 10 KICE CCOC(=O)C1CCN(c2nc3c(C)cccn3c(=O)c2C=C2SC(=S)N(C3CCCCC3)C2=O)CC1 2296565778 XCWNKKGHDAZAJX-UHFFFAOYSA-N 540.711 4.316 10 10 KICE Cc1cccn2c(=O)c(C=C3SC(=S)N(CCc4ccccc4)C3=O)c(NC[C@H]3CCCO3)nc12 2314413758 GWPIZFFOERAPBY-LJQANCHMSA-N 506.653 4.038 10 10 KICE CCOC(=O)CCN1C(=O)C(=Cc2cc(Br)c(OCC(=O)N3CCCCC3)c(OC)c2)SC1=S 2314759633 DXBABOTVIXTVMI-UHFFFAOYSA-N 571.515 4.003 10 10 KICE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cc(Cl)cc(I)c1O 100455568 AGASUPHWKJLDIO-SDQBBNPISA-N 547.530 4.079 10 10 KICE COc1ccc(N2CCN(C(=O)c3sc4ncnc(N5CCN(c6ccc(OC)cc6)CC5)c4c3C)CC2)cc1 100664866 CATGIJLMQLYXCV-UHFFFAOYSA-N 558.708 4.306 10 10 KICE COc1ccc(CCN2C(=O)/C(=C\c3c(N4C[C@H](C)O[C@H](C)C4)nc4c(C)cccn4c3=O)SC2=S)cc1 100851285 KHRJEXUVGLTWEH-AVRAWIIDSA-N 550.706 4.069 10 10 KICE C[C@H](NC(=O)CCCCCN1C(=O)/C(=C/c2cc(Br)cc(Br)c2O)SC1=S)C(=O)O 101969764 HVLFHSJTGAZTIF-WULZRQGASA-N 580.320 4.268 10 10 KICE N=C1/C(=C\c2ccc(OCCOc3ccccc3Cl)cc2)C(=O)N=C2SC(CC(=O)N3CCCC3)=NN12 102472975 JVIYSEBEEVBEND-GZLURRHHSA-N 538.029 4.429 10 10 KICE CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C/c3cc(Cl)cc(I)c3O)C2=O)c1 103846459 MXELDULAGFIINL-ZSOIEALJSA-N 556.740 4.114 10 10 KICE CCCCn1c(N2CCN(c3ccc(F)cc3)CC2)c(/C=C2\SC(=S)N(CCOC)C2=O)c(C)c(C#N)c1=O 110531544 OAVCOQYVCHTWEE-ULJHMMPZSA-N 569.728 4.142 10 10 KICE Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)N(Cc3ccc(C)o3)[C@H]3CCS(=O)(=O)C3)C2=O)cc1 207327836 AQBDBGYWGUMEFX-ISXGRJCASA-N 532.709 4.094 10 10 KICE NC1=C(C(=O)NC2CCCC2)[C@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(Cc3ccccc3F)c2O1 1864022947 SIZJVBZKGGJRPL-LJQANCHMSA-N 532.494 4.254 10 10 KICE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@@H](C)C1)=C(N)O2 1865029866 WXKOHNZASGFUMW-KXNSMUHISA-N 539.032 4.220 10 10 KICE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC1)=C(N)O2 1865033256 VSXCPFRWRNYUDA-FQEVSTJZSA-N 515.397 4.470 10 10 KICE CCCCN(CC)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccn2)[C@H]1c1ccc(O)c(O)c1 1865033496 AURTUJZFINUYMV-GOSISDBHSA-N 517.508 4.041 10 10 KICE CC[C@@H](NC(=O)CCCc1ccc2c(c1)OCCO2)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866790289 WULGXPKDMVIVTM-JOCHJYFZSA-N 512.562 4.089 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)c3cc(-c4cccc(OC)c4)on3)CC2)cc1 1868965378 QMEJJKTWVVELQD-MUUNZHRXSA-N 558.610 4.188 10 10 KICE COC(=O)c1sc(NC(=O)COc2ccc(/C=C3/SC(=S)N(CC(C)C)C3=O)cc2)nc1C 1871287580 QOLMKGCFLWODEB-CXUHLZMHSA-N 505.643 4.113 10 10 KICE CCN(CC)CCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCc2ccc(OC)cc2)C1=O 1873169125 AFYNMXGZFOKPPY-UHFFFAOYSA-N 514.670 4.357 10 10 KICE COc1ccc(Br)c(CNC[C@H]2CN(C(=O)OC(C)(C)C)CCN2Cc2ccccc2)c1O 2227743669 WQHYCVCRSVORRW-IBGZPJMESA-N 520.468 4.374 10 10 KICE CCOc1c(I)cc(C=C2C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1OC 2313549138 OBSMGKDSRFNNRN-UHFFFAOYSA-N 526.714 4.018 10 10 KICE CCCC1=NN2C(=N)/C(=C\c3ccc(OCCOc4ccc([N+](=O)[O-])cc4)c(OC)c3)C(=O)N=C2S1 33726613 MFOSQSRHCDFUIB-RIHJCCTQSA-N 509.544 4.480 10 10 KICE COCc1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(SCc2cccc(C(=O)NC[C@@H]3CCCO3)c2)n1 98015290 RGBRFLZMKCFVEY-MHZLTWQESA-N 563.724 4.159 10 10 KICE COc1ccc(OCCOc2c(Br)cc(/C=C3/C(=N)N4OC(C)=CC4=NC3=O)cc2OC)cc1 101430954 AZNCMOUDAXIENR-JUWLHOMFSA-N 528.359 4.374 10 10 KICE COc1ccc(N2CCN(c3cc(C(C)(C)C)nc(SCc4cccc(C(=O)NCCN5CCOCC5)c4)n3)CC2)cc1 102676458 JGSXCSDNZQDBOA-UHFFFAOYSA-N 604.821 4.464 10 10 KICE COc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3sc4c(c3C(=O)NCc3cccnc3)CCC4)C2=O)cc1 207822580 PFOPKFUWWKIWHW-CIAFOILYSA-N 564.714 4.410 10 10 KICE CCN(CC)c1ccc(CN(C[C@@H](O)COc2ccc(Cl)cc2Cl)[C@H]2CCS(=O)(=O)C2)cc1 256037260 BJODLBDZHUHZIH-FCHUYYIVSA-N 515.503 4.269 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4cccc(C)c4)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 1083944729 JXFPLNHEZDIPQQ-MHZLTWQESA-N 527.646 4.433 10 10 KICE CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)CC2)cc1 1858625330 AMILDEAJFJXJSI-UHFFFAOYSA-N 531.634 4.298 10 10 KICE CC[C@H](NC(=O)c1ccc2[nH]c(-c3ccc(F)cc3)nc2c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862095446 GSMKYDGJMUKBAA-DEOSSOPVSA-N 515.589 4.235 10 10 KICE C[C@@H](O)CNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc3ccccc23)[C@H]1c1ccc(O)c(O)c1 1864015103 JNNIBZQEVZMZEL-WXTAPIANSA-N 548.599 4.295 10 10 KICE CCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCc1ccccc1)=C(N)O2 1864018842 RWRXYDILYLRYGH-AREMUKBSSA-N 542.611 4.488 10 10 KICE Cc1ccc(-c2nc(CC(=O)N[C@@H](C)C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c(C)o2)cc1 1866651324 KTVQTZJJXJVCGT-KRWDZBQOSA-N 507.546 4.420 10 10 KICE CCCC[C@@H](NC(=O)c1cc(C2CC2)n2nc(C3CC3)cc2n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868989355 XGNJNILPYCNQTI-XMMPIXPASA-N 530.673 4.130 10 10 KICE COc1ccc(NC(=O)c2cc(OC(C)=O)c3c(c2)C(=O)c2cccc(OC(C)=O)c2C3=O)cc1Cl 1873938949 LZSJXYYJOYQPQF-UHFFFAOYSA-N 507.882 4.227 10 10 KICE COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(OCCOc4ccccc4)c(OC)c3)C2=O)cc1 2293202281 KXACPVRKLNSYIH-UHFFFAOYSA-N 522.941 4.481 10 10 KICE COc1ccc(CCN2C(=O)C(=Cc3c(N4C[C@H](C)O[C@@H](C)C4)nc4ccc(C)cn4c3=O)SC2=S)cc1 2314400150 IYVYXKQPJRKCPF-OALUTQOASA-N 550.706 4.069 10 10 KICE C[C@H](C(=O)Nc1ccc(C(=O)O)cc1)N1C(=O)C(=Cc2cc(Br)ccc2O)SC1=S 2314836104 ABXQHXFNLSKNTA-SNVBAGLBSA-N 507.387 4.081 10 10 KICE CCOC(=O)CCC(=O)Nc1ccc(N2CCN(c3ccc(OC)cc3)CC2)c(S(=O)(=O)N[C@@H](C)c2ccccc2)c1 103133954 GLFKHSSBOWAIMN-QHCPKHFHSA-N 594.734 4.343 10 10 KICE CCCn1c(NCCc2ccc(OC)c(OC)c2)c(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c(C)c(C#N)c1=O 143300781 RWAMJLRZTUVVLX-FXONECCMSA-N 582.748 4.490 10 10 KICE CCOc1cccc(C2=C(O)C(=O)N(c3ccc(CN4CCN(C)CC4)cc3)[C@H]2c2ccc(O)c(O)c2)c1 526603800 OOKQOTNAMYUGLS-NDEPHWFRSA-N 515.610 4.301 10 10 KICE CCC[C@H](NC(=O)CNC(=O)c1ccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1)C(=O)O 606672097 PQORJUKFDNPKHW-FUDBJYBQSA-N 565.595 4.211 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)cc3)c(=O)n2[C@@H]1c1ccc(Br)cc1 1772719889 LKINQJURZGRHJE-XMMPIXPASA-N 554.510 4.407 10 10 KICE CCN(CC)C(=O)COc1ccc(-c2c(C)sc(NC(=O)C(=O)NC3CCN(Cc4ccccc4)CC3)c2C(=O)OC)cc1 1860763966 UIIVKBDWEJTFBF-UHFFFAOYSA-N 620.772 4.477 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)CCc3ccc(Cl)cc3)CC2)cc1 1861947899 IMNLRBLKWZVDFR-HHHXNRCGSA-N 506.046 4.358 10 10 KICE Cc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccnc1)=C(N)O2 1864009997 HPNDCBVLIQUWTM-SANMLTNESA-N 519.561 4.151 10 10 KICE Cc1ccc(C)c(CNC(=O)C2=C(N)Oc3c(c(C)nn3Cc3ccc(F)cc3)[C@H]2c2ccc(O)c(O)c2)c1 1864012214 UQVNFSVRHNTKDV-AREMUKBSSA-N 528.584 4.418 10 10 KICE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)N[C@@H]1CCCC[C@@H]1C)[C@H]2c1ccc(O)c(O)c1 1864017317 JOOYAVBIVSYUPO-YBVWCTEOSA-N 518.614 4.379 10 10 KICE COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N2CCCc4ccccc42)[C@@H]3c2ccc(O)c(O)c2)cc1 1865027878 MWTPFHMQNDQQFW-AREMUKBSSA-N 524.577 4.275 10 10 KICE CCC[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867815884 KMDRWFBFLFPDCN-AZGAKELHSA-N 554.648 4.119 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)Cc3nc(-c4ccc(C)cc4)oc3C)CC2)cc1 1868639571 PYHNDHJMWMOYIN-RUZDIDTESA-N 536.698 4.096 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCNC(=O)[C@@H]4c4cn(C)c5ccccc45)nc(C(C)(C)C)n3)CC2)cc1 1869194743 CYZXLTVRWWJDDE-LJAQVGFWSA-N 553.711 4.279 10 10 KICE COc1ccc(N2CCN(c3nc(=NC[C@@H]4CCCO4)nc(Nc4ccc(C(C)C)cc4)[nH]3)CC2)cc1 1871503802 HWWYIUAFOOGZKS-VWLOTQADSA-N 503.651 4.087 10 10 KICE COC(=O)c1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCn3ccnc3)C2=O)cc1 1873165381 MBCLSVFMBXYUAK-UHFFFAOYSA-N 537.620 4.037 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)CCc3ccccc3C)CC2)cc1 1874642518 GQQAIWDMOJAMST-SSEXGKCCSA-N 524.665 4.494 10 10 KICE CC(=C1C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F)N1CCN(Cc2ccc3c(c2)OCO3)CC1 2297332044 CVEAVQSEDWPKQN-UHFFFAOYSA-N 529.544 4.382 10 10 KICE N=C1C(=Cc2ccc(OC(=O)c3ccco3)c(Br)c2)C(=O)N=C2SC(c3cccnc3)=NN12 2297468620 TVLRBUGBPCNPAX-UHFFFAOYSA-N 522.340 4.324 10 10 KICE CC1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C3SC(N4CCOCC4)=NC3=O)c2)CC1 2314476724 UKYGPKJFCITZSN-UHFFFAOYSA-N 577.732 4.262 10 10 KICE O=C1C(=Cc2ccc(F)cc2)SC(=S)N1CC(=O)N(Cc1c(F)cccc1Cl)[C@@H]1CCS(=O)(=O)C1 2314603381 VRUQSWQJGAGHFU-MRXNPFEDSA-N 557.065 4.035 10 10 KICE CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)ccc1OCCC(=O)O 2314936507 YVIUGYXIZUMRPH-UHFFFAOYSA-N 506.989 4.138 10 10 KICE CCCCn1c(N2CCC[C@H](C)C2)c(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)c(C)c(C#N)c1=O 39990438 YBAUTCJCXPUBIT-SMEDBKPVSA-N 516.689 4.131 10 10 KICE N=C1/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N=C2SN=C(S(=O)(=O)Cc3ccccc3)N12 101397027 KZBUXFBWCSIUTR-FZAWDKCWSA-N 521.536 4.046 10 10 KICE CCCn1c(N2CCN(c3ccccc3)CC2)c(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c(C)c(C#N)c1=O 110526725 REXNBYOCIJVLDZ-BRZNVLFUSA-N 563.749 4.145 10 10 KICE CCN1C(=O)NC(=O)/C(=C/c2cn(CCOc3ccccc3F)c3ccc(Br)cc23)C1=O 1084274739 POGHJYJPQVMZNN-BOPFTXTBSA-N 500.324 4.104 10 10 KICE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)N2CCCCC2)=C(N)O3)cc1 1865034241 RZIOPZAYOROTNJ-XMMPIXPASA-N 539.592 4.061 10 10 KICE CSCC[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867822809 ZJJRYGDTAHXSIV-AHWVRZQESA-N 586.715 4.072 10 10 KICE Cc1oc(-c2ccccc2Cl)nc1CC(=O)NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1868132783 WLNKECQQOXJKOM-UHFFFAOYSA-N 513.937 4.376 10 10 KICE COCCc1nc(N2CCN(CCCc3cccc(Cl)c3)CC2)cc(N2CCN(c3ccc(OC)cc3)CC2)n1 1869110215 HWTUXLQHLLTNCV-UHFFFAOYSA-N 565.162 4.409 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)COCc4ccccc4)n(-c4ccc(C)cc4)n3)CC2)cc1 1869969986 LBAMCLZWQKZUEG-UHFFFAOYSA-N 512.614 4.066 10 10 KICE COC(=O)c1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(Cc3ccccn3)C2=O)cc1 1873165160 GKFYJDLNPINNPM-UHFFFAOYSA-N 520.589 4.346 10 10 KICE C[C@H]1CCCN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)C1 2296703962 BHUFZMNJPDMBMP-INIZCTEOSA-N 520.636 4.061 10 10 KICE COc1cc(C=C2SC(=S)N(NC(=O)c3ccc(C(C)(C)C)cc3)C2=O)ccc1O[C@H](C)C(=O)O 2314934313 YZBRYAIAFUSEDO-CQSZACIVSA-N 514.625 4.391 10 10 KICE CCOc1cc(/C=C2/SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)ccc1OCC(=O)O 16915772 IUGDCLKAHIXZBA-FYJGNVAPSA-N 503.598 4.010 10 10 KICE CCOC(=O)C1CCN(C(=O)c2ccc(CSc3nc(C)cc(N4CCN(c5ccc(OC)cc5)CC4)n3)o2)CC1 98015141 FWHHUAWDSFUYPQ-UHFFFAOYSA-N 579.723 4.421 10 10 KICE COc1ccc(N2CCN(c3cc(C(=O)O)c4cc(NS(=O)(=O)c5ccc(OC)cc5)ccc4n3)CC2)cc1 102314117 PVAJLBPMIONIAF-UHFFFAOYSA-N 548.621 4.078 10 10 KICE CCN(CC)S(=O)(=O)c1ccc(/C=C\C(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1 103096942 PFZWPGLYJMUDGP-ZROIWOOFSA-N 538.622 4.293 10 10 KICE CCC[C@@H](NC(=O)CNC(=O)c1ccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1)C(=O)O 606672099 PQORJUKFDNPKHW-NPBUNYCVSA-N 565.595 4.211 10 10 KICE Cc1c(N2C(=O)/C(=C/c3c(N4CCCC[C@H]4C)nc4ccccn4c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C 1772721439 SMFQFFRQAYNMQR-LFTLAFEGSA-N 572.716 4.277 10 10 KICE CCOC(=O)c1ccc(N2C(=O)C[C@@H](N3C(=O)/C(=C/C(C)=C\c4ccccc4)SC3=S)C2=O)cc1 1772759280 AIZZJYLDTFYRPB-OIYLUVQRSA-N 506.605 4.343 10 10 KICE CCOC(=O)c1c(NC(=O)C(=O)NC[C@@H](c2ccc(OC)cc2)N(C)C)sc(C)c1-c1ccccc1 1860760121 SSLKHNGISSRKEY-NRFANRHFSA-N 509.628 4.266 10 10 KICE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)c3ccc4nc(-c5cccc(C)c5)[nH]c4c3)CC2)cc1 1862099467 WEPGXSGWWAFDGE-UHFFFAOYSA-N 511.626 4.404 10 10 KICE COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCc2cc(C)ccc2C)[C@@H]3c2ccc(O)c(O)c2)cc1 1864007306 KGKYRDQOUPGECT-AREMUKBSSA-N 526.593 4.228 10 10 KICE CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccncc1)=C(N)O2 1864010561 NQCBYBOJTKLBND-QHCPKHFHSA-N 532.000 4.295 10 10 KICE CCCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C)CC1)=C(N)O2 1865030495 LBIRLWQKACXYOM-XMMPIXPASA-N 520.605 4.387 10 10 KICE C[C@H]1CCCN(C(=O)C2=C(N)Oc3c(c(-c4ccccc4)nn3-c3ccccn3)[C@@H]2c2ccc(O)c(O)c2)C1 1865031289 DNOIPPHPMNLVMP-UUOWRZLLSA-N 523.593 4.299 10 10 KICE CCCc1nn(CCC)c2c1[C@H](c1cccc(O)c1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865046491 VMDKMDNPSBLHFG-VWLOTQADSA-N 531.657 4.003 10 10 KICE CCCCOc1ccc([C@H]2C(C(=O)N3CCN(c4ccc(OC)cc4)CC3)=C(N)Oc3c2c(C)nn3CC)cc1 1865239500 ULZPJTMKICGBCP-HHHXNRCGSA-N 545.684 4.442 10 10 KICE C[C@H](NC(=O)c1cc(C2CC2)n2nc(C3CC3)cc2n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867176041 XDERIXSNSJJMMB-HNNXBMFYSA-N 519.561 4.017 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)CCCOc4ccccc4)n(-c4ccccc4)n3)CC2)cc1 1869969430 BYASAQJQVBZZDL-UHFFFAOYSA-N 512.614 4.400 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NC3CCN(Cc4ccccc4)CC3)C(=O)N(CCCN(C)C)C2=O)cc1 1873162381 SBJRRQLSUHTHJD-UHFFFAOYSA-N 539.724 4.380 10 10 KICE CCCOc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCNC(C)=O)C2=O)cc1 1873422300 PSHZXHMNSCTHQG-UHFFFAOYSA-N 500.599 4.211 10 10 KICE COc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OCc1ccccc1[N+](=O)[O-] 2297347644 QHLJWJCTDFKFEX-UHFFFAOYSA-N 513.304 4.395 10 10 KICE C[C@H]1C[C@@H](C)CN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)C1 2314413712 FTMMPSOLINHEJK-CALCHBBNSA-N 534.663 4.307 10 10 KICE C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C3SC(=S)N(CCC(=O)O)C3=O)c2)C[C@H](C)O1 2314475942 GCYCZONNJIYWEQ-OALUTQOASA-N 612.755 4.013 10 10 KICE COc1ccc(CN2CCN(c3cc(NCCC(=O)O)c4c5c(onc35)-c3ccccc3C4=O)CC2)c(OC)c1OC 101218288 GZZDXNMEUANXPL-UHFFFAOYSA-N 572.618 4.274 10 10 KICE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(N4CCN(C)CC4)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1 526388016 QITMCAMPIQCIJP-HHHXNRCGSA-N 501.583 4.306 10 10 KICE CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)NCc1cc(Cl)cc(Br)c1O 708134186 PCDYDRKJZOHMBG-UHFFFAOYSA-N 508.841 4.316 10 10 KICE CCCn1c(=C2SC(=S)N(c3ccc(C)cc3)C2=O)sc(=C2C=Cc3ccccc3N2CC)c1=O 725445769 GYVOAZVODQCFHQ-UHFFFAOYSA-N 519.717 4.463 10 10 KICE COc1ccc([C@H](C)NC(=O)C2=C(N)Oc3c(c(-c4ccccc4)nn3C)[C@@H]2c2ccc(O)c(O)c2)cc1 1864016330 MLSZRYOEUIQIER-HJPURHCSSA-N 512.566 4.079 10 10 KICE CCCN(CCC)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccn2)[C@H]1c1ccc(O)c(O)c1 1865033766 HUJDJJMHONLCAY-GOSISDBHSA-N 517.508 4.041 10 10 KICE C[C@@H]1CCCCN1C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2)[C@H]1c1ccc(O)c(O)c1 1865033928 KSRZBBZXJCGYPM-FOIQADDNSA-N 528.531 4.457 10 10 KICE C[C@H]1CCCCN1C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2)[C@H]1c1ccc(O)c(O)c1 1865033929 KSRZBBZXJCGYPM-MGPUTAFESA-N 528.531 4.457 10 10 KICE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N(C)C1CCCCC1)[C@H]2c1ccc(O)c(O)c1 1865034359 URMVJLTYNZDWOX-SFHVURJKSA-N 508.541 4.455 10 10 KICE CN(C)c1ccc([C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)c2nccn2C)cc1 1865994300 SAAHGYQEYNWWCI-SVBPBHIXSA-N 511.626 4.229 10 10 KICE CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CC(=O)N(c3ccc(N4CCCC4)cc3)C2)N2CCCCC2)cc1 1866279106 OCPIXPCRJIMYCW-YWEHKCAJSA-N 503.691 4.049 10 10 KICE CCC[C@@H](NC(=O)c1cc(-c2ccc(OC)cc2)nc(O)n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866620688 LRHHEDAMVQZWCG-HSZRJFAPSA-N 550.571 4.170 10 10 KICE C[C@H](NC(=O)CCS(=O)(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866810599 BIYFSGQOLPTRLU-SFHVURJKSA-N 546.645 4.067 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCN(CCc5ccccc5OC)CC4)nc(C(C)(C)C)n3)CC2)cc1 1869180445 NNJNMHZXFFGVJU-UHFFFAOYSA-N 544.744 4.483 10 10 KICE Cc1ccc2nc(N3CCN(c4cccc(Cl)c4)CC3)c(C=C3SC(=S)N(C[C@@H]4CCCO4)C3=O)c(=O)n2c1 2296544540 YRYHSZBZNHVSGJ-NRFANRHFSA-N 582.151 4.363 10 10 KICE COc1ccc(CCN2C(=O)C(=Cc3c(NCc4ccco4)nc4ccccn4c3=O)SC2=S)cc1 2296709468 VIAKJFWLPCMLCU-UHFFFAOYSA-N 518.620 4.352 10 10 KICE O=C1c2ccccc2-c2onc3c(N4CCN(C(=O)c5ccco5)CC4)cc(N4CCN(C(=O)c5ccco5)CC4)c1c23 101434969 MBDRXNQXEJUXQC-UHFFFAOYSA-N 577.597 4.150 10 10 KICE Cc1ccc(/C=C2/SC(=S)N(CC(=O)N(Cc3ccc([C@@H]4C[C@H]4C)o3)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 1615296236 XKTYEIZRQAHNLO-NSAAROSYSA-N 544.720 4.129 10 10 KICE Cc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(F)cc1)=C(N)O2 1864008885 UNIKOXSEKWHYPO-QHCPKHFHSA-N 520.948 4.395 10 10 KICE CCCCN(CC)C(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2CC)[C@H]1c1ccc(O)c(O)c1 1865034422 WEJCAISXBCHQSE-JOCHJYFZSA-N 506.603 4.333 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)c3cc(-c4cc(F)ccc4F)n(C)n3)CC2)cc1 1868939912 DPIKURIDLYDMAM-NDEPHWFRSA-N 559.617 4.064 10 10 KICE CCCCCn1cc(OCc2ccc(C(=O)OC)o2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870557528 VRBNZOOIIRVYMB-UHFFFAOYSA-N 523.630 4.328 10 10 KICE CCCCOCCCN=c1nc(Nc2ccc(C)cc2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871474660 NCOQKPLWCVRRDZ-UHFFFAOYSA-N 505.667 4.299 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(N[C@H](C)c3ccccc3)C(=O)N(Cc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 1873168186 MCHRQPSTSGDTDK-JOCHJYFZSA-N 554.672 4.372 10 10 KICE O=C1C(=Cc2c(NC[C@H](O)c3ccccc3)nc3ccccn3c2=O)SC(=S)N1CCc1ccccc1 2296546437 YKLWQRNUKBLHSL-QFIPXVFZSA-N 528.659 4.284 10 10 KICE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OCc1ccc(C(=O)O)cc1 2313558116 SZUIBWKNBYQIKC-UHFFFAOYSA-N 504.470 4.168 10 10 KICE Cc1ccc(C=C2SC(=S)N(CC(=O)N(Cc3c(F)cccc3Cl)[C@H]3CCS(=O)(=O)C3)C2=O)cc1 2314603334 JVPNZFFESPKDAS-KRWDZBQOSA-N 553.102 4.205 10 10 KICE CCCn1c(N2CCCCCC2)c(/C=C2\SC(=S)N(CCCOCC)C2=O)c(C)c(C#N)c1=O 39990218 AUCXRCZBHTUBHA-PGMHBOJBSA-N 502.706 4.447 10 10 KICE Cc1c(/C=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c(N2CCC(C)CC2)n(C)c(=O)c1C#N 110518869 AGNUCCLXNPJDCW-HAHDFKILSA-N 574.732 4.005 10 10 KICE O=C(CCCNC(=O)N1CCc2c([nH]c3ccccc23)C1)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874016605 HCWPSQRVKYRULS-UHFFFAOYSA-N 506.562 4.430 10 10 KICE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CCN(c2ccc(CN)c(Br)c2)CC1 2220635217 ZEEILVBQSKNMFJ-UHFFFAOYSA-N 513.477 4.202 10 10 KICE COc1ccc(N2CCN(c3nc4ccccn4c(=O)c3C=C3SC(=S)N(Cc4ccccc4)C3=O)CC2)cc1 2296544491 OJRSNVRGZGLDAS-UHFFFAOYSA-N 569.712 4.431 10 10 KICE CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OCc4ccc(F)cc4)c(Cl)c3)C(=N)N21 2297345527 FIGQEZZNKOSKBM-UHFFFAOYSA-N 506.968 4.069 10 10 KICE COc1cc(C=C2C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)ccc1O[C@H](C)c1ccccc1 2297470337 XXRKKCFCSOEUOG-QGZVFWFLSA-N 517.611 4.467 10 10 KICE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1cccc(C(=O)O)c1 2313562055 BLGPUSBKLKUTRK-UHFFFAOYSA-N 500.507 4.256 10 10 KICE COc1ccc(-c2nc(CN3CCC[C@H](C(=O)N4CCN(c5ccc(OC)cc5)CC4)C3)c(C)o2)cc1 9693919 YXEZPIMWONAILL-QHCPKHFHSA-N 504.631 4.228 10 10 KICE COc1cccc(OCC(=O)Nc2cc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)ccn2)c1 1860510513 CMFYYLJNYFBNGV-UHFFFAOYSA-N 507.502 4.135 10 10 KICE COc1ccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3Cc3ccc(Cl)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1 1864011461 HWFYAXZAJJJSQU-VWLOTQADSA-N 547.011 4.324 10 10 KICE Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)NCC(C)C)[C@H]3c2ccc(O)c(O)c2)cc1 1864015411 QPDRZDTTZAYSAV-SFHVURJKSA-N 502.493 4.078 10 10 KICE CC[C@H](C)NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1 1864015855 XBAUMEMYZLZUMZ-LIRRHRJNSA-N 516.520 4.279 10 10 KICE CCC[C@H](NC(=O)c1cccc(N2CCCC2=O)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866612269 RIMIVLSOLFDEBE-DEOSSOPVSA-N 509.562 4.126 10 10 KICE COc1ccc([C@H](C(=O)N[C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C(C)C)cc1OC 1866982270 CRCSXDWNWFXFIO-SSOJOUAXSA-N 514.578 4.362 10 10 KICE CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)NCCN1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 2293438539 GHGSCWJQAYTCRD-UHFFFAOYSA-N 538.077 4.386 10 10 KICE COc1ccc(C=C2SC(=S)N(CCCC(=O)N3CCN(c4ccccc4)CC3)C2=O)cc1OC 2297477411 BITQQHFQXYSCLV-UHFFFAOYSA-N 511.669 4.034 10 10 KICE NS(=O)(=O)c1ccc(NC(=O)CCCCCN2C(=O)C(=Cc3ccc(Cl)cc3)SC2=S)cc1 2314831317 IGWVRRNHMONWCD-UHFFFAOYSA-N 524.089 4.388 10 10 KICE O=C(O)c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccc4c(c3)C(=O)N(c3nccs3)C4=O)cc1)C2=O 27832594 SMEBFDQOTBQGFL-UHFFFAOYSA-N 511.471 4.235 10 10 KICE CN(C)c1ccc([C@H]2CC(c3ccc(Br)cc3)=NN2C(=O)CSc2nnc(N)s2)cc1 72413126 CTZDILADRWLBLC-GOSISDBHSA-N 517.478 4.419 10 10 KICE COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)c(OCCOc4cccc(OC)c4)c(OC)c3)C2=O)cc1 159166298 GLDRAUWNTIPXPN-LPYMAVHISA-N 644.418 4.441 10 10 KICE COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OCc1ccc(C(=O)O)cc1 208453436 XAXGLXSELQVVIG-RGVLZGJSSA-N 522.966 4.457 10 10 KICE CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccnc1)=C(N)O2 1864011562 VHTKZTIJKNIBJC-HSZRJFAPSA-N 532.000 4.295 10 10 KICE CCCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC(C)C)=C(N)O2 1864012969 NDHKPNVTBQAHKW-QHCPKHFHSA-N 541.048 4.184 10 10 KICE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NCc1ccccc1)[C@@H]2c1ccc(O)c(O)c1 1864017320 JPTRRQLMROLBAI-HSZRJFAPSA-N 512.566 4.001 10 10 KICE CCCOc1cccc([C@H]2C(C(=O)N3CCN(c4ccc(OC)cc4)CC3)=C(N)Oc3c2c(C)nn3CC)c1 1865262626 CCWALUHHOVLUGZ-AREMUKBSSA-N 531.657 4.052 10 10 KICE O=C(CCCCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866025936 GCMVGCXIZNJXBU-UHFFFAOYSA-N 511.490 4.165 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)Cc3nc(-c4cccc(C)c4)oc3C)CC2)cc1 1868636951 PTPWGNSUWAETRY-SSEXGKCCSA-N 568.674 4.291 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)c4ccccc4[N+](=O)[O-])n(-c4ccc(C)cc4)n3)CC2)cc1 1869970389 PKEJHJXJYXUGBO-UHFFFAOYSA-N 513.558 4.071 10 10 KICE CCOCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccc(C(=O)OC)cc2)C1=O 1873169998 KJJHMHXMDAJVGN-UHFFFAOYSA-N 515.610 4.177 10 10 KICE COc1ccc(N2CCN(CCC(=O)c3cccc(OC(=O)COc4cc(F)ccc4F)c3)CC2)cc1 1874738162 FAPSDSVEOLPQLM-UHFFFAOYSA-N 510.537 4.353 10 10 KICE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(N3CCC(C(N)=O)CC3)=NC2=O)c(C)c1 2296709116 YXXQABXLBOBINF-UHFFFAOYSA-N 501.612 4.024 10 10 KICE CCOc1cc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc(Cl)c1OCc1ccc(C)cc1 2297345885 KRADXFWDILFXQH-UHFFFAOYSA-N 533.031 4.247 10 10 KICE CCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCOCC3)c2)SC1=S 110556469 CZBMGGZEIKIPKF-HAVVHWLPSA-N 554.719 4.171 10 10 KICE CC(C)(C)c1ccc(OCCN2C(=O)/C(=C3\SC(=S)N(CCC(=O)O)C3=O)c3ccccc32)cc1 1860827426 YAAWLPXWLFTCSZ-DQRAZIAOSA-N 510.637 4.456 10 10 KICE CC1CCN(C(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3Cc3ccccc3)[C@@H]2c2ccc(O)c(O)c2)CC1 1865034230 RWNUEHLHQZZQRZ-FQEVSTJZSA-N 528.531 4.315 10 10 KICE CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1ccc(Cl)cc1 1865084192 LYXKBCSNMWVWBK-DEOSSOPVSA-N 522.049 4.307 10 10 KICE CCCc1nn(CCC)c2c1[C@H](c1cc(C)ccc1O)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865197363 GDFWTNHJLVNGSF-SANMLTNESA-N 545.684 4.312 10 10 KICE CCCC[C@H](NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867796189 DCEDNVOLYWGYNT-LBNVMWSVSA-N 552.720 4.359 10 10 KICE CCN(CC)CCCCNC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21 1873910934 WNSHCUUWHPQWKJ-GDLZYMKVSA-N 501.675 4.417 10 10 KICE COCCN1C(=O)C(=Cc2c(N3CCC(Cc4ccccc4)CC3)nc3ccccn3c2=O)SC1=S 2296707773 IMODZHYZOCCEGM-UHFFFAOYSA-N 520.680 4.001 10 10 KICE CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3cn(CCOc4ccccc4C)c4ccccc34)C(=N)N21 2297345381 RCOWLUYQZGGBOP-UHFFFAOYSA-N 521.624 4.040 10 10 KICE O=C(O)CCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCC3)c2)SC1=S 2314477004 ZOEHPYJHMKEQAK-UHFFFAOYSA-N 582.729 4.390 10 10 KICE CCCN1C(=O)C(=C2SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)c2ccccc21 2314764367 ARCMEIJWYZLCHG-UHFFFAOYSA-N 502.415 4.122 10 10 KICE COc1ccc(NC(=O)CSc2n[nH]c(=NC3=NC(=O)C(=Cc4ccc(Cl)cc4)S3)s2)cc1 2314951954 OLDMWYOOLDLUFR-UHFFFAOYSA-N 518.045 4.435 10 10 KICE C=CCN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(C)c2N2CCC(Cc3ccccc3)CC2)SC1=S 33460084 VSRMGUHFTZEQBP-XQNSMLJCSA-N 504.681 4.412 10 10 KICE CCCn1c(NCCc2ccc(OC)c(OC)c2)c(/C=C2\SC(=S)N(CC)C2=O)c(C)c(C#N)c1=O 40066743 ZNWGWTHNDUQLBS-HMAPJEAMSA-N 526.684 4.331 10 10 KICE O=C(Cn1c2c(c3cc(F)ccc31)CCCC2)N1CCO[C@]2(CCCCc3ccccc3OCCNC2=O)C1 643554574 FLCSFZRZQSBSLN-WJOKGBTCSA-N 533.644 4.178 10 10 KICE CCc1ccc(-c2nc3cc(C(=O)N[C@@H](C)C(=O)N4CCN(c5ccc(OC)cc5)CC4)ccc3[nH]2)cc1 1862100385 LPPGRXNNLNCNSW-FQEVSTJZSA-N 511.626 4.268 10 10 KICE CCCc1nc2ccc(C(=O)N[C@H](C(=O)N3CCN(c4ccc(OC)cc4)CC3)c3ccccc3)cc2[nH]1 1862109581 YQTIGXISNOYAHM-NDEPHWFRSA-N 511.626 4.344 10 10 KICE CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(F)cc1)=C(N)O2 1864017581 PIDUWXVUNFBHFD-VWLOTQADSA-N 528.584 4.347 10 10 KICE CN(C)c1ccc([C@H](CNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)N2CCCCC2)cc1 1867798732 VQKWFSDHRUDLPY-MVSFAKPFSA-N 602.736 4.117 10 10 KICE Cc1cccn2c(=O)c(C=C3SC(=S)N(C[C@@H]4CCCO4)C3=O)c(N3CCN(c4cccc(Cl)c4)CC3)nc12 2297453438 GVVLWNDSOMFLEK-NRFANRHFSA-N 582.151 4.363 10 10 KICE Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 2313559682 LXCRSGOPFNNWKB-UHFFFAOYSA-N 509.316 4.431 10 10 KICE C/C=C/Oc1c(I)cc(/C=C2\C(=O)NC(=S)N(c3cccc(OCC)c3)C2=O)cc1OC 103776194 XPQPEEFYZCEDBM-YKAMVQGYSA-N 564.401 4.442 10 10 KICE Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)cc2Cl)cc1 1084578984 OVVYWEJZTUUICL-GRSHGNNSSA-N 533.924 4.061 10 10 KICE O=C(CCC(=O)N1CCC(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1)c1cccs1 1860606746 UXIXKOPAWKDTOV-UHFFFAOYSA-N 500.576 4.364 10 10 KICE CCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(C)c1)=C(N)O2 1864017632 QOJVWVHFOJXVNL-RUZDIDTESA-N 526.593 4.174 10 10 KICE CCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOc3ccccc31)=C(N)O2 1865032713 IYKVNUNNJBPGID-VWLOTQADSA-N 524.577 4.025 10 10 KICE CCc1ccc(-c2nc(CC(=O)N[C@@H](CC)C(=O)N3CCN(c4ccc(OC)cc4)CC3)c(C)o2)cc1 1868992873 LMWGOSDNXXNNCT-VWLOTQADSA-N 504.631 4.007 10 10 KICE Cc1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(Cc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 1873166233 IDRMGIQGFBTZEI-UHFFFAOYSA-N 554.672 4.120 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccc(S(N)(=O)=O)cc3)C(=O)N(CCCc3ccccc3)C2=O)cc1 1873167293 ZWJASRCJVZTWSP-UHFFFAOYSA-N 568.699 4.244 10 10 KICE C/C(NCCN1CCN(C(=O)CC(C)C)CC1)=C1\C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 96609556 AWFWWSPHMLUVNV-YYADALCUSA-N 530.698 4.101 10 10 KICE CCc1cccc(CC)c1N1C(=O)[C@@H]2[C@H](c3ccc(N(C)C)cc3)N[C@@](C(=O)O)(c3ccccc3)[C@@H]2C1=O 248015150 CUVCDINPKFLNCD-VIYORZMQSA-N 511.622 4.308 10 10 KICE COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N[C@@H](C)c2ccccc2)[C@@H]3c2ccc(O)c(O)c2)cc1 1864007203 HSJMJMYHEDCCQJ-IVCQMTBJSA-N 512.566 4.173 10 10 KICE CCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1864018350 JBKSBMUJCOJNDG-IBGZPJMESA-N 503.386 4.043 10 10 KICE CN(C)c1ccc([C@H](CNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccn2)C3=O)N2CCCCC2)cc1 1867466999 SXPDNLFZJXTTOF-GPOMZPHUSA-N 674.802 4.334 10 10 KICE CN(C)c1ccc([C@H](CNC(=O)C(C)(C)NC(=O)c2ccc(-n3cccc3)cc2)N2CCCCC2)cc1 1867758480 VSBVPAOCMDJSMB-MHZLTWQESA-N 501.675 4.395 10 10 KICE CCOc1ccc(-c2nc(N3CCN(CC)CC3)cc(N3CCN(c4ccc(OC)cc4)CC3)n2)cc1 1867995787 IDHBHOKWUDZHRX-UHFFFAOYSA-N 502.663 4.019 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)Cc3ccc(C)c(Br)c3)CC2)cc1 1869028284 MRMIWNSBNDXHGZ-HHHXNRCGSA-N 566.496 4.091 10 10 KICE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccc(C)cc4)cn3C[C@H]3CCCO3)CC2)cc1 1870767956 GOYKFPJQYYVILE-MUUNZHRXSA-N 503.643 4.246 10 10 KICE CCOC(=O)c1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCN(C)C)C2=O)c1 1873421343 SCFHJCDDXWSVNS-UHFFFAOYSA-N 500.599 4.024 10 10 KICE CCOC(=O)c1ccc(N2C(=O)C[C@H](N3C(=O)C(=Cc4ccc(Cl)cc4)SC3=S)C2=O)cc1 2296732953 FUHIUOJBVQGWJX-KRWDZBQOSA-N 500.985 4.050 10 10 KICE CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccc(/N=N/c2ccccc2)cc1)C(=O)NCC(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)Nc1ccccc1 97940113 QEKLQEDHXHSXSP-ZCHQXZLKSA-N 852.010 4.228 10 10 KICE Cc1c(/C=C2/SC(=S)N(C3CCCCC3)C2=O)c(N2CCN(c3ccccc3)CC2)n(C)c(=O)c1C#N 105617096 AQYVKBDGLMYZDU-JJIBRWJFSA-N 533.723 4.426 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4cccc(C(=O)OC)c4)c3C)c(=O)n2[C@H]1c1ccc(OCC)cc1 252669998 JGICRTNOGMLNKF-LJAQVGFWSA-N 599.709 4.391 10 10 KICE COc1ccccc1CNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccccc2Cl)[C@H]1c1ccc(O)c(O)c1 1864011256 DVXNYCHBCWAMGE-RUZDIDTESA-N 547.011 4.324 10 10 KICE CCCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(OC(C)(C)C)cc1)=C(N)O2 1864014236 PXSHQCASXJTFHZ-HSZRJFAPSA-N 520.630 4.455 10 10 KICE CCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@@H](C)C1)=C(N)O2 1865032626 HFRGPJSSWUJQHR-CEYNDMKZSA-N 516.642 4.413 10 10 KICE COc1ccc(-n2nncc2C(=O)N[C@@H](C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c2ccccc2)cc1 1866921951 BGURDXMTOZASHC-MUUNZHRXSA-N 557.566 4.161 10 10 KICE COc1cc(OC)cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867394283 KWOAMAQXIVUKNC-CONSDPRKSA-N 558.723 4.454 10 10 KICE CN(C)c1ccc([C@H](CNC(=O)[C@@H](CO)NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)N2CCCCC2)cc1 1867660176 QWYRJBAOHZKCTB-PKTZIBPZSA-N 574.566 4.224 10 10 KICE CSCC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867925022 LXYUICBJKKXMGM-IHLOFXLRSA-N 631.799 4.337 10 10 KICE CCOc1ccc(-c2nc(N3CCN(c4ccc(OC)cc4)CC3)cc(N3C[C@H](C)O[C@H](C)C3)n2)cc1 1867998889 RXHQZIXVXBLGAY-SZPZYZBQSA-N 503.647 4.491 10 10 KICE COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2C[C@H](c3ccc(F)cc3)O[C@H](C)C2)n1 1869115785 BZQPXYDYGRAKHO-QFQXNSOFSA-N 521.637 4.106 10 10 KICE COc1ccc(N2CCN(c3cc(N4CC(=O)N5CCc6ccccc6[C@H]5C4)nc(-c4ccccc4)n3)CC2)cc1 1869212365 MMJFDLNVMIYWDO-GDLZYMKVSA-N 546.675 4.425 10 10 KICE CCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCC[C@@H](CS(=O)(=O)c3ccccc3)C2)n1 1869216486 WKDZITVWPKVGPT-XMMPIXPASA-N 549.741 4.455 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCCN(C)C)C(=O)N(Cc3ccc(C(=O)OC(C)C)cc3)C2=O)cc1 1873165462 KDPJAFNHLLAZTJ-UHFFFAOYSA-N 528.653 4.091 10 10 KICE COc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCc3cnc[nH]3)C2=O)c(OC)c1 1873426088 NOHWPIWJBKZZMN-UHFFFAOYSA-N 511.582 4.269 10 10 KICE CCOc1cc(C=C2C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)ccc1OCc1ccccc1F 2296065512 WOLQPJXQJLABKP-UHFFFAOYSA-N 535.601 4.435 10 10 KICE Cc1c(N2C(=O)C(=Cc3c(N4C[C@@H](C)C[C@H](C)C4)nc4ccccn4c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C 2314414092 PHSRBAIZOJWDLY-OALUTQOASA-N 586.743 4.380 10 10 KICE CCN(CC)C(=O)COc1c(Br)cc(C=C2SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1OC 2314765208 XPVPGXFMSRZHFZ-UHFFFAOYSA-N 578.510 4.251 10 10 KICE CCC(=CC(=O)N[C@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(Br)ccc1OC 2321381590 LIAFEBHXRTVBCX-HSZRJFAPSA-N 577.431 4.142 10 10 KICE COCCNC(=O)c1cccc(CSc2nc(C)c(C)c(N3CCN(c4ccc(OC)cc4)CC3)n2)c1 36064111 BKCAWFKSRXWHCR-UHFFFAOYSA-N 521.687 4.097 10 10 KICE COc1ccc(N2CCN(c3ccc(NC(=O)C4CC4)cc3S(=O)(=O)N[C@H](C)c3ccccc3)CC2)cc1 101356940 YQKWHGGIBGVYFP-OAQYLSRUSA-N 534.682 4.410 10 10 KICE COc1ccc([C@H](CNC(=O)CN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)N2CCCCC2)cc1 205608465 WKQFTSVDOYRZOA-GQBVICOWSA-N 513.660 4.379 10 10 KICE CN1C=CC(=C2c3ccc([nH]3)C(c3cc[n+](C)cc3)=C3C=CC(=N3)C(c3cc[n+](C)cc3)=c3ccc([nH]3)=C(c3cc[n+](C)cc3)c3ccc2[nH]3)C=C1 605681103 FOUOYXAWZRYAOM-UHFFFAOYSA-O 679.852 4.149 10 10 KICE CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCc1ccccc1)=C(N)O2 1864017312 JOJMLFOTIOLHJN-RUZDIDTESA-N 510.594 4.290 10 10 KICE NC1=C(C(=O)N2CCCC2)[C@@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(Cc3ccc(F)cc3)c2O1 1865031558 JOQXBNOYIMOSQH-DEOSSOPVSA-N 526.568 4.466 10 10 KICE C[C@H]1CCCCN1C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1865033931 KSRZBBZXJCGYPM-YWZLYKJASA-N 528.531 4.457 10 10 KICE O=C(O)CCCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCOCC3)c2)SC1=S 2314475952 GFVQBFFYCIYWBK-UHFFFAOYSA-N 626.782 4.406 10 10 KICE Cc1ccc(CNC2CN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)C2)c(O)c1Br 2327790070 RBULRHZGQHTEDY-UHFFFAOYSA-N 514.461 4.409 10 10 KICE COc1ccc(N2CCN(CCCNC(=O)[C@H]3CCCN(c4nc5c(C)cc(C)cc5s4)C3)CC2)cc1 8911730 UQZZKELEOWXXKO-QHCPKHFHSA-N 521.731 4.467 10 10 KICE O=C(COc1ccc([N+](=O)[O-])cc1/C=C1\SC(=S)N(Cc2ccco2)C1=O)Nc1nccs1 33570389 WNNVDGWAQHXQTB-SXGWCWSVSA-N 502.555 4.063 10 10 KICE CC[C@H](C)N1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2NCc2ccc3c(c2)OCO3)SC1=S 40066465 JXHIHYDEXUXPEW-LKEIMFIWSA-N 510.641 4.389 10 10 KICE CCOC(=O)c1c(NC(=O)C(=O)NCCCCN(CC)CC)sc(C)c1-c1ccc(OCC)cc1 1860762899 VLQFDMHSUOSHRS-UHFFFAOYSA-N 503.665 4.476 10 10 KICE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccncc1)=C(N)O2 1864009967 GYHMJERENLPFSD-QHCPKHFHSA-N 532.000 4.295 10 10 KICE Cc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(Cl)c1)=C(N)O2 1864011506 IQWNEZOSCQCXHA-DEOSSOPVSA-N 534.975 4.455 10 10 KICE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)c1ccc(OC)cc1)=C(N)O2 1864014535 XMJOTPCKQHCBJP-XDHUDOTRSA-N 520.630 4.483 10 10 KICE CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1CCO)=C(N)O2 1865029408 MMSMAJRJSHAFCZ-CJFMBICVSA-N 532.641 4.003 10 10 KICE CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C)C1)=C(N)O2 1865030378 ISFCEPCXMRUIHI-OSPHWJPCSA-N 520.605 4.387 10 10 KICE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N(Cc1ccccc1)C(C)C)[C@H]2c1ccc(O)c(O)c1 1865034050 NWOMMAPPLYQVEI-IBGZPJMESA-N 516.520 4.465 10 10 KICE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4Cc4cccc(F)c4)[C@@H]3c3ccco3)CC2)cc1 1865305564 PQIZAGWURMMFRD-SANMLTNESA-N 543.599 4.024 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCC(N5CCCCC5)CC4)nc(-c4cccnc4)n3)CC2)cc1 1868004696 LYABDVVQRMZUEV-UHFFFAOYSA-N 513.690 4.329 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)CC2)cc1 1868831186 HMVQXCOJWZNNBW-IARZGTGTSA-N 501.602 4.014 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)Cc4cccs4)n(-c4ccccc4Cl)n3)CC2)cc1 1869969027 AVJRYPUDBFCYFK-UHFFFAOYSA-N 509.035 4.499 10 10 KICE CCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N(CCS(=O)(=O)O)C2=O)c1 2297470412 RSKPGVNRZFSJCJ-UHFFFAOYSA-N 529.665 4.417 10 10 KICE CC1=NN(c2ccc(I)cc2)C(=O)C1=Cc1c(C)[nH]n(-c2ccc(I)cc2)c1=O 2297736825 LYKNCHQAYGBSFG-UHFFFAOYSA-N 610.193 4.489 10 10 KICE COc1ccc(N2C(=O)C(=Cc3ccc(-c4ccc(Cl)c(C(=O)O)c4)o3)C(=O)NC2=S)c(OC)c1 2313541680 UGWXSWAXASKZIB-UHFFFAOYSA-N 512.927 4.147 10 10 KICE O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 2313558783 JTPYVIUFFOGIBR-UHFFFAOYSA-N 508.443 4.266 10 10 KICE COc1ccc(CN2C(=O)/C(=C/c3c(N4CCCCC4)nc4c(C)cccn4c3=O)SC2=S)cc1 35300202 GMUZZZKWSCHTNB-QNGOZBTKSA-N 506.653 4.403 10 10 KICE COc1ccc(CNc2c(/C=C3\SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(C)c(C#N)c(=O)n2C)cc1 143284155 ZPADTXNNMWPFMN-MYKKPKGFSA-N 560.657 4.316 10 10 KICE CCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccco1)=C(N)O2 1864019363 JMBQJWHESAXLKM-OAQYLSRUSA-N 506.946 4.103 10 10 KICE CCCC[C@@H](NC(=O)c1cc(-c2ccncc2)[nH]n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867161381 UEYARHQFVCDMKR-JOCHJYFZSA-N 507.550 4.174 10 10 KICE CCCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2C[C@H](C)N(CCOC)[C@@H](C)C2)n1 1868387139 SMFXOGLWMQDWCZ-PMACEKPBSA-N 513.642 4.494 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(OC(C)=O)cc3)NC(=O)CCc3c[nH]c4ccccc34)CC2)cc1 1868582232 MWQQPTXYFBAHQI-WJOKGBTCSA-N 568.674 4.111 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)[C@@H](c3ccc(OC)c(OC)c3)C(C)C)CC2)cc1 1868864745 ZRQSPWKCVJQQDZ-GRKNLSHJSA-N 575.706 4.234 10 10 KICE CCC[C@H](NC(=O)Cc1ccc2nc(O)c(C(C)C)cc2c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868915715 TWOJCYRDPGRASC-MHZLTWQESA-N 518.658 4.249 10 10 KICE COc1ccc(N2CCN(c3nc(=NCCCOC(C)C)nc(Nc4ccc(C)c(C)c4)[nH]3)CC2)cc1 1871528728 RCYXWUCYHDMHPD-UHFFFAOYSA-N 505.667 4.216 10 10 KICE CCOC(=O)N1CCC(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCCN3CCCC3)C2=O)CC1 1873162344 QQXPHSUFNKNZHX-UHFFFAOYSA-N 561.727 4.261 10 10 KICE Cc1ccccc1OCCOc1ccc(C=C2C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)cc1 2296634303 UMJYWGUKBRRDBI-UHFFFAOYSA-N 531.638 4.475 10 10 KICE COc1ccc(OC)c(N2C(=O)C(=Cc3ccc4c(c3)CCCN4Cc3ccccc3)C(=O)NC2=S)c1 2296943063 MVVDWLOIPVMOAL-UHFFFAOYSA-N 513.619 4.488 10 10 KICE Cc1cccc(C)c1OCCOc1ccc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc1Cl 2297345216 CSLJLIPOFJBBLD-UHFFFAOYSA-N 533.031 4.036 10 10 KICE COc1cc(/C=C2\SC(=S)N(CCCCCC(=O)NCc3ccccc3)C2=O)cc(OC)c1O 15045238 UFVYNVFKTBLNOL-QNGOZBTKSA-N 500.642 4.487 10 10 KICE CCOC(=O)CNC(=O)N1Cc2c(C)nn(-c3ccccc3)c2-n2cccc2[C@@H]1c1ccc(N(C)C)cc1 33266844 UZWUQIZCJFREHP-MHZLTWQESA-N 512.614 4.215 10 10 KICE CCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2N2CCN(c3ccc(F)cc3)CC2)SC1=S 33812471 BGYHUGCFGZBUPN-JCMHNJIXSA-N 525.675 4.032 10 10 KICE COc1ccc(N2CCN([C@@H](NC(=O)c3cc4ccccc4oc3=O)C(Cl)(Cl)Cl)CC2)cc1 39916779 AWARZPHGTOGRQD-JOCHJYFZSA-N 510.805 4.050 10 10 KICE COc1ccc(CCN2C(=O)/C(=C\c3c(N4C[C@H](C)O[C@H](C)C4)nc4c(C)cccn4c3=O)SC2=S)cc1OC 100850385 KNBFAFNWTJWMIX-GLXMVNEWSA-N 580.732 4.078 10 10 KICE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCCOc4cc(C)cc(C)c4)c(Cl)c3)C(=N)N21 104561626 BRKHQUXJCCDMOX-SREDRKHISA-N 547.058 4.426 10 10 KICE O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCCCC3)c2)SC(=S)N1CCS(=O)(=O)O 150451797 NRDACBQJCJAPLR-MOHJPFBDSA-N 632.811 4.193 10 10 KICE CCCOc1c(I)cc(I)cc1/C=C1/C(=O)NC(=O)N(c2ccc(OC)cc2)C1=O 164064890 RLFSNCHACPYBGS-YBEGLDIGSA-N 632.192 4.360 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)c3cc4ccccc4n3C)CC2)cc1 1862073198 GSKWPNNRYDGEIY-SANMLTNESA-N 514.601 4.016 10 10 KICE CCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1OC)=C(N)O2 1864019279 XQHKKOLOUBCLKK-VWLOTQADSA-N 544.583 4.064 10 10 KICE CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1CCO)=C(N)O2 1865029411 MMSMAJRJSHAFCZ-NLFFAJNJSA-N 532.641 4.003 10 10 KICE CCN(CC)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1 1865033859 IYVOLUMGPPOGMX-LJQANCHMSA-N 516.520 4.233 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)[C@H](c3ccc(Br)cc3)C(C)C)CC2)cc1 1868847426 DGPYJYZFXQOVOW-JPYJTQIMSA-N 502.453 4.051 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)C[C@@H](c3ccccc3)c3ccc(F)c(F)c3)CC2)cc1 1868950530 OULHGPUIXPTMEA-CPJSRVTESA-N 507.581 4.349 10 10 KICE COCCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCCc3ccc(OC)c(OC)c3)ncnc21 1875220214 LAQGBYMQAAFEFU-UHFFFAOYSA-N 588.709 4.111 10 10 KICE CCOc1c(Br)cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1OC 2313559643 JCNDXJBAOXOUFQ-UHFFFAOYSA-N 524.165 4.285 10 10 KICE CC1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C3SC(=S)N([C@H]4CCS(=O)(=O)C4)C3=O)c2)CC1 2314476150 JMAHJLMJLUULOJ-DEOSSOPVSA-N 642.850 4.348 10 10 KICE C[C@@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3\SC(N4CCOCC4)=NC3=O)c2)C1 101014664 OFZHEBMJJQHJFI-OIHNEICTSA-N 577.732 4.262 10 10 KICE O=C(CSc1nnc(NC2=NC(=O)/C(=C3/C(=O)Nc4ccc(Br)cc43)S2)s1)Nc1ccccc1 102371669 ZLQJIXXWMICVHU-NXVVXOECSA-N 573.479 4.436 10 10 KICE CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1OC)=C(N)O2 1864018105 CORFXCVPMFJQLK-VWLOTQADSA-N 544.583 4.064 10 10 KICE Cc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)Cc1ccccc1)=C(N)O2 1865026526 OXMCFWGNVFDAGV-RUZDIDTESA-N 514.557 4.143 10 10 KICE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)N2C[C@@H](C)C[C@@H](C)C2)[C@H]3c2ccc(O)c(O)c2)c1 1865028706 YGYJZGYCMRFQKL-DFXHWTJYSA-N 516.642 4.467 10 10 KICE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4-c4ccc(C)cc4)[C@@H]3c3ccco3)CC2)cc1 1865303911 SPVIPJYZMMITDG-SANMLTNESA-N 525.609 4.134 10 10 KICE O=C(Cc1ccc2c(c1)OCCO2)N[C@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1 1866607391 WPZDYCXUKYFVID-LJAQVGFWSA-N 532.552 4.272 10 10 KICE CC(=O)Oc1ccc(C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867360414 KDDNRMHCCSYDAA-CONSDPRKSA-N 601.704 4.271 10 10 KICE COc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C3CCN(C)CC3)C2=O)c(OC)c1 1873427204 GQAIRIUZDLUIJX-UHFFFAOYSA-N 514.626 4.398 10 10 KICE CCN(CC)c1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(CCc2ccc(OC)c(OC)c2)C1=O 2296018005 QSYCXXZWMQJHGJ-UHFFFAOYSA-N 538.695 4.310 10 10 KICE CCOC(=O)c1ccc(NC(=O)CN2C(=O)C(=C3SC(=S)N([C@H](C)CC)C3=O)c3ccccc32)cc1 2296711261 HRCXSJNVBTUCQO-OAHLLOKOSA-N 523.636 4.219 10 10 KICE CCCCC1=NN2C(=N)C(=Cc3ccc(OCc4cc(=O)n5nc(CC)sc5n4)cc3)C(=O)N=C2S1 2297350790 UTQGFLZBTSUNDQ-UHFFFAOYSA-N 521.628 4.102 10 10 KICE O=C1NC(=S)N(c2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1cc(Br)c(N2CCOCC2)o1 2313562184 HSHZULVDBMKCOJ-UHFFFAOYSA-N 531.215 4.017 10 10 KICE O=C1[C@@H]2[C@@H](c3ccc(Br)cc3)OC3(C(=O)c4ccccc4C3=O)[C@H]2C(=O)N1c1ccccc1[N+](=O)[O-] 227497473 ZDAIVGQOPILOPN-PWRODBHTSA-N 547.317 4.052 10 10 KICE COc1ccc(N2CCN(C(=O)c3cc(-c4ccc5c(c4)OCO5)n(Cc4ccccc4F)n3)CC2)cc1 1862366952 WUCHXTANTVHQLS-UHFFFAOYSA-N 514.557 4.437 10 10 KICE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccn1)=C(N)O2 1864013669 YRAJGSRVLVAQNO-AREMUKBSSA-N 539.636 4.318 10 10 KICE CCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(C)c1)=C(N)O2 1864018155 DNRMBVGKAOEBNR-VWLOTQADSA-N 528.584 4.364 10 10 KICE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C(=O)N2CCCC2)[C@H]3c2ccc(O)c(O)c2)cc1 1865031688 MEVAMVKIVINKDM-DEOSSOPVSA-N 524.577 4.276 10 10 KICE CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1ccccc1Cl 1865162744 BUPIJQZXYWOYHE-DEOSSOPVSA-N 522.049 4.307 10 10 KICE COc1ccc(N2CCN(c3nc(=NC(=O)c4ccc(Cl)s4)n(-c4ccc(OC)cc4)[nH]3)CC2)cc1 1869970415 RCSHXJAJURQZKE-UHFFFAOYSA-N 525.034 4.000 10 10 KICE COc1ccc(N2CCN(Cc3cc(=O)c(OCC(=O)N4CCCCCC4)cn3CCC(C)C)CC2)cc1 1870498408 QSLQJKZMCAIGEO-UHFFFAOYSA-N 524.706 4.007 10 10 KICE O=C(COc1cn(CCCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O)NC1CCCCC1 1870924697 JCVUGMQIPQMHHU-UHFFFAOYSA-N 504.631 4.414 10 10 KICE COc1ccc(N2CCN(c3nc(=NCc4ccc(C)cc4)[nH]c(=Nc4ccc(C)c(F)c4)[nH]3)CC2)cc1 1871578665 OZKKEKDKCAXAGE-UHFFFAOYSA-N 513.621 4.162 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCCCN3CCOCC3)C(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1 1873170116 OLGQMGPFZQCXLX-UHFFFAOYSA-N 533.072 4.340 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc4c(c3)OCCO4)C(=O)N(CCCn3ccnc3)C2=O)cc1 1873423039 BWPJLCYEOBNGRH-UHFFFAOYSA-N 523.593 4.344 10 10 KICE COc1ccc(N2CCN(C(=O)c3cc4c(NCc5cccnc5)ncnc4n3Cc3ccco3)CC2)cc1 1875232967 IAGUDCSRFYRNJH-UHFFFAOYSA-N 523.597 4.051 10 10 KICE CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OCCCOc4ccc(C)cc4C)cc3)C(=N)N21 2297345709 UORICLQUJQGAOQ-UHFFFAOYSA-N 526.640 4.163 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)C=Cc4cccs4)n(-c4ccc(OC)cc4)n3)CC2)cc1 2331394038 WEXKTABTSSCXAC-UHFFFAOYSA-N 516.627 4.325 10 10 KICE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCc4ccccc4F)c(Cl)c3)C(=N)N21 20206840 GIYLVLPDUNYKTQ-FZMXLXIHSA-N 506.968 4.069 10 10 KICE COc1ccc(N2CCN(C(=O)c3ccccc3N3CCC(NC(=O)C4CCCCC4)CC3)CC2)cc1 37277170 RQUZODPJECFWKT-UHFFFAOYSA-N 504.675 4.323 10 10 KICE Cc1cc(N2C(=O)N=C(O)/C(=C\c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)C2=O)ccc1Br 59859775 UZPUSERUYRXLEO-LFIBNONCSA-N 515.320 4.009 10 10 KICE COc1cccc([C@@H]2N[C@](Cc3c[nH]c4ccccc34)(C(=O)O)[C@@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@H]23)c1O 248132550 BFWFRVABJFGYNT-XZSZPMDUSA-N 560.006 4.360 10 10 KICE Cc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1F)=C(N)O2 1864008499 LKMFCOQLNDSGNV-QHCPKHFHSA-N 520.948 4.395 10 10 KICE CC(C)CNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2Cl)[C@@H]1c1ccc(O)c(O)c1 1864015446 RIZCINLCHLRSGC-KRWDZBQOSA-N 522.911 4.423 10 10 KICE CCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC(c1ccccc1)c1ccccc1)=C(N)O2 1864020524 DCNXBKLCXTXRBW-DEOSSOPVSA-N 510.594 4.477 10 10 KICE CCCCN(CC)C(=O)C1=C(N)Oc2c(c(CC)nn2Cc2ccc(F)cc2)[C@H]1c1ccc(O)c(O)c1 1865035558 WVUITLLMOKBYDG-HSZRJFAPSA-N 508.594 4.387 10 10 KICE CCCOc1ccccc1[C@@H]1C(C(=O)N2CCN(c3ccc(OC)cc3)CC2)=C(N)Oc2c1c(C)nn2CC 1865447375 BKXPFWKZPXFTRF-SANMLTNESA-N 531.657 4.052 10 10 KICE CC[C@@H](NC(=O)c1cc(-c2ccc(F)c(F)c2)[nH]n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867094297 REAQOHZNCCRVLU-HXUWFJFHSA-N 514.488 4.277 10 10 KICE CCC[C@H](NC(=O)c1cc(C)n(-c2ccc(Br)cc2)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868767609 HBGKKPFDDCYBLJ-DEOSSOPVSA-N 554.489 4.199 10 10 KICE COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCN3CCc4c(Cl)cccc4[C@H]3C2)n1 1869121947 AWSULRSZKCQPKA-HHHXNRCGSA-N 549.119 4.074 10 10 KICE CCCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2ccc(OC)c(Cl)c2)[nH]1 1871680749 KAAZKEPKKTYGHD-UHFFFAOYSA-N 512.058 4.058 10 10 KICE COc1ccc(N2CCN(C(=O)c3ccc4nc(SCC(=O)Nc5ccc(F)cc5)[nH]c4c3)CC2)cc1 1872825232 SYZVLKKIYUOCGW-UHFFFAOYSA-N 519.602 4.404 10 10 KICE CCOC(=O)N1CCN(c2nc3c(C)cccn3c(=O)c2C=C2SC(=S)N(Cc3ccccc3Cl)C2=O)CC1 2296907868 KUYFDPZEZDPTJM-UHFFFAOYSA-N 584.123 4.336 10 10 KICE COc1ccc(C=C2SC(=S)N(CCC(=O)N(Cc3ccc([C@@H]4C[C@@H]4C)o3)[C@H]3CCS(=O)(=O)C3)C2=O)cc1 2314828477 CEUSTVFLZUWVAX-LQBOVUBWSA-N 574.746 4.219 10 10 KICE Cn1c(=O)c2c(-c3ccc(Cl)cc3)n3c(c2n(C)c1=O)[C@H](c1ccc(O)c(O)c1)Nc1ccccc1-3 21659116 KRPILABXPVPSCD-QFIPXVFZSA-N 500.942 4.274 10 10 KICE COc1ccc(N(C2CCN(Cc3ccccc3O)CC2)S(=O)(=O)c2ccc(F)cc2)cc1OC 34683944 SNTHXXXGPAMGES-UHFFFAOYSA-N 500.592 4.408 10 10 KICE CCCn1c(NCCc2ccccc2)c(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)c(C)c(C#N)c1=O 40066732 DAZLMNZXGQANOJ-QNGOZBTKSA-N 524.668 4.159 10 10 KICE COc1ccc(-n2c(C)cc(C(=O)COC(=O)/C=C\c3c(C)nn([C@@H]4CCS(=O)(=O)C4)c3Cl)c2C)cc1 103070515 ZDLWUBFECMQTPJ-GDCKJWNLSA-N 546.045 4.060 10 10 KICE CCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2Cl)[C@H]1c1ccc(O)c(O)c1 1864015663 UURBPFHSVFGQJP-QGZVFWFLSA-N 522.911 4.236 10 10 KICE CC(C)OCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2)[C@H]1c1ccc(O)c(O)c1 1864016584 STUUNYCYDUWOIS-RUZDIDTESA-N 540.620 4.245 10 10 KICE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)N2C[C@H](C)C[C@@H](C)C2)[C@@H]3c2ccc(O)c(O)c2)cc1 1865028139 QFASXBPSAIAIIO-QJMRKGMQSA-N 502.615 4.159 10 10 KICE CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCCC1)=C(N)O2 1865034791 DQNQYAQBIZFSGE-QHCPKHFHSA-N 506.578 4.141 10 10 KICE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4CC(C)C)[C@H]3c3cccc(F)c3)CC2)cc1 1865546970 ZBUKTORCEHJNBM-RUZDIDTESA-N 519.621 4.039 10 10 KICE CC[C@@](C)(NC(=O)CCS(=O)(=O)c1ccc(OC)c(Cl)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866806826 BUGSATVOLJBLKZ-GDLZYMKVSA-N 583.062 4.211 10 10 KICE CN1CCN(C2CCC(C(=O)N[C@@H](C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c3ccccc3)CC2)CC1 1867284486 LWHABTPSTWTYQO-DPHZAUTASA-N 564.686 4.064 10 10 KICE COc1cc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc(OC)c1OC 1867339219 JUBOXEMHTORPNU-VMPREFPWSA-N 604.748 4.169 10 10 KICE CCCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(CCCOC)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867518287 NTNHIPNPWMSDPP-XZWHSSHBSA-N 605.780 4.017 10 10 KICE Cc1cccc(C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867819697 CYFZSRKVYLWBJA-IHLOFXLRSA-N 528.697 4.451 10 10 KICE CCN(CC)CCN1C(=O)C(NCc2nc3ccccc3[nH]2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873168860 MYSVJAYDMXSUML-UHFFFAOYSA-N 510.642 4.182 10 10 KICE O=C(CCCN1C(=O)C(=C2SC(=S)N(CCCC(=O)Nc3ccccc3O)C2=O)SC1=S)Nc1ccccc1O 2297312583 XUNLAMNTWBFDMW-UHFFFAOYSA-N 616.768 4.168 10 10 KICE Cc1ccc(OCCCOc2ccc(C=C3C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2Cl)cc1 2297345231 DZOPAQFHCQTMFN-UHFFFAOYSA-N 533.031 4.118 10 10 KICE COc1ccc(N2CCN(C(=O)c3ccc4c(c3)NC(=O)[C@@H](CSCc3ccccc3F)N4)CC2)cc1 9490393 OEMWDHBTWQKLAQ-AREMUKBSSA-N 520.630 4.463 10 10 KICE COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3Cl)C2=O)ccc1OCCC(=O)O 59815498 FNWTZAPPZBATPG-RQZCQDPDSA-N 527.407 4.402 10 10 KICE Cc1ccc(N/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1N/C=C1/C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 101112588 BBLJDPRSGRIDOR-JZTLMNBPSA-N 619.421 4.459 10 10 KICE O=C(CCCN1C(=O)/C(=C/c2cc(Br)ccc2O)SC1=S)Nc1ccc(C(=O)O)cc1 101967551 IFUXBXDNSONEJZ-BOPFTXTBSA-N 521.414 4.473 10 10 KICE CCOc1ccccc1N1C(=O)/C(=C\c2ccc(OC)c(CN3C(=O)c4ccccc4C3=O)c2)C(=O)N=C1S 102485623 OSELSDBKXSIZOS-QNGOZBTKSA-N 541.585 4.133 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)CCCOc3c(C)cccc3C)CC2)cc1 1862208379 RYAVYOYEXMNIBF-RUZDIDTESA-N 513.704 4.058 10 10 KICE NC1=C(C(=O)NCc2ccncc2)[C@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(Cc3ccccc3)c2O1 1864016404 OHCGQAOMRUOLGM-AREMUKBSSA-N 545.599 4.416 10 10 KICE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)NC(C)C)=C(N)O3)cc1 1864017572 PDFZEIJFFSKARS-DEOSSOPVSA-N 544.583 4.377 10 10 KICE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4-c4ccccc4)[C@H]3c3ccccc3F)CC2)cc1 1865062196 MAIOHHUEZFVCDS-HHHXNRCGSA-N 539.611 4.372 10 10 KICE Cc1oc(-c2ccc(C(C)C)cc2)nc1CC(=O)N[C@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867181573 KKNQAXVQOKBAEJ-AREMUKBSSA-N 551.599 4.207 10 10 KICE CN1CCN(C2CCC(C(=O)N[C@H](C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c3ccccc3)CC2)CC1 1867284489 LWHABTPSTWTYQO-YFIBMDDPSA-N 564.686 4.064 10 10 KICE CN(C)c1ccc([C@H](CNC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)c2ccc([N+](=O)[O-])cc2)N2CCCCC2)cc1 1867357624 LHPSOUIONPJWMH-VMPREFPWSA-N 561.658 4.484 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(CC(=O)OC(C)C)cc3)C(=O)N(CCN(C)C)C2=O)cc1 1873421179 KRBARBHNNOXVPI-UHFFFAOYSA-N 528.653 4.342 10 10 KICE COc1ccccc1-n1cc(CO[C@@H]2C[C@H]3C(=O)NC4(CCOc5ccc(C(F)(F)F)cc5S(=O)(=O)N3C2)CCN(Cc2ccccc2O)CC4)nn1 2080453456 MJHLDCKEOMNUTQ-PXJZQJOASA-N 756.804 4.282 10 10 KICE O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)C1=Cc1cc(Br)ccc1OCc1ccc(C(=O)O)cc1 2294093730 JMEGGAPTSWGCBN-UHFFFAOYSA-N 565.332 4.121 10 10 KICE Cc1cccn2c(=O)c(C=C3SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(NCCCOC(C)C)nc12 2314478494 OEDXBSRDEZFPKD-UHFFFAOYSA-N 604.758 4.434 10 10 KICE COc1ccccc1N1CCN(c2nc3ccc(C)cn3c(=O)c2/C=C2/SC(=S)N(Cc3ccco3)C2=O)CC1 103125044 WGDVMNDZRHITSN-LFVJCYFKSA-N 573.700 4.333 10 10 KICE COc1cc(/C=C2/C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C(F)(F)F)ccc1OCCc1ccccc1 103699311 XLFCCFYFXFYKCT-RCCKNPSSSA-N 545.539 4.313 10 10 KICE O=C(O)CCCN1C(=O)/C(=C2\SC(=S)N(c3ccccc3)C2=O)c2cc(Br)ccc21 218427393 RYLXGWSDHGJLOD-ZCXUNETKSA-N 503.399 4.437 10 10 KICE CCCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccn1)=C(N)O2 1864012887 LLDFQCCEZKSKQK-XMMPIXPASA-N 546.027 4.355 10 10 KICE CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cccs1)=C(N)O2 1864020284 XVUCPDUTTAHJAI-HSZRJFAPSA-N 516.623 4.269 10 10 KICE CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1CCO)=C(N)O2 1865029409 MMSMAJRJSHAFCZ-CPJSRVTESA-N 532.641 4.003 10 10 KICE CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1c(F)cccc1Cl 1865146982 XVGSHCKGZCKDEL-DEOSSOPVSA-N 540.039 4.446 10 10 KICE CCCC[C@@H](NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867805607 RSWAPDBHYPRIKN-AOYPEHQESA-N 569.703 4.310 10 10 KICE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)NCc3ccc(F)cc3)n4CC(C)C)CC2)cc1 1873577042 UATMYKAVCUHLMF-UHFFFAOYSA-N 516.621 4.492 10 10 KICE COc1ccc(CCN2C(=O)C(=Cc3c(N4CCCCC4)nc4ccccn4c3=O)SC2=S)cc1 2297460222 AXXOXDHGAFPAOI-UHFFFAOYSA-N 506.653 4.137 10 10 KICE CCN1C(=O)C(=Cc2cc(C)n(-c3ccc(C)cc3)c2C)c2cc(S(=O)(=O)N3CCOCC3)ccc21 2297508952 BPFKVJMIJRRDMM-UHFFFAOYSA-N 505.640 4.331 10 10 KICE CCOCCCNc1nc2ccc(C)cn2c(=O)c1C=C1SC(=S)N(c2c(C)n(C)n(-c3ccccc3)c2=O)C1=O 2314414101 PQTXKNLJNNYELP-UHFFFAOYSA-N 590.731 4.045 10 10 KICE O=C(CCCN1C(=O)C(=Cc2ccccc2OC(F)F)SC1=S)Nc1ccc(C(=O)O)c(O)c1 2314937086 RCDUHMNBQBSCEY-UHFFFAOYSA-N 508.524 4.312 10 10 KICE CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 6354182 ZZNPKHCQPMNMAA-QTTRZTASSA-N 588.642 4.041 10 10 KICE COc1ccc(/C=C2/SC(=S)N(CCC(=O)N(Cc3ccc(Cl)cc3)[C@H]3CCS(=O)(=O)C3)C2=O)cc1 102998019 XQJHKYRIELVDEX-ISXGRJCASA-N 565.138 4.156 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)c3cc(Cl)ccc3OC)CC2)cc1 1862137637 QVKPALHSKXXBPS-VWLOTQADSA-N 508.018 4.047 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)CCCC(=O)c3cccs3)c3ccccc3)CC2)cc1 1868736243 YESHVBQRXJSYNN-HHHXNRCGSA-N 505.640 4.316 10 10 KICE COc1ccc(Nc2nc(=NCc3ccc(C)cc3)nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]2)cc1 1871564223 ANLCYKOXZNRSEV-UHFFFAOYSA-N 511.630 4.301 10 10 KICE O=C(O)c1cccc(-c2ccc(C=C3SC(=O)N(CC(=O)N4CCN(c5ccccc5)CC4)C3=O)o2)c1 2293990355 SYVRCXMNSMZPFZ-UHFFFAOYSA-N 517.563 4.030 10 10 KICE O=C(CCCN1C(=O)C(=C2SC(=S)N(CCCC(=O)Nc3ccc(C(=O)O)cc3)C2=O)SC1=S)Nc1ccc(C(=O)O)cc1 2297449506 ZGBBQZRXTIMBOT-UHFFFAOYSA-N 672.788 4.153 10 10 KICE Cc1cccc(-n2c(C)cc(/C=C3/C(=O)N(C)c4ccc(S(=O)(=O)N5CCOCC5)cc43)c2C)c1C 33592348 RWDLRCLSSWTVFD-PCLIKHOPSA-N 505.640 4.249 10 10 KICE COc1ccc(CCN2C(=O)/C(=C\c3c(NCc4ccco4)nc4ccccn4c3=O)SC2=S)cc1OC 102836944 NQKVQCQCJGUTCG-PXLXIMEGSA-N 548.646 4.361 10 10 KICE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCCOc4ccc(C)cc4C)c(Cl)c3)C(=N)N21 104561619 XSBHHMXDGSOUSR-JPXJQDSKSA-N 547.058 4.426 10 10 KICE O=C1/C(=C/c2c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)nc3ccccn3c2=O)SC(=S)N1C1CCCCC1 105451786 QLWQZJUOUAOFCW-UQQQWYQISA-N 589.743 4.279 10 10 KICE Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2 150339569 MOJZMWJRUKIQGL-LKMJJRCWSA-N 866.781 4.444 10 10 KICE in-vitro Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2 150339571 MOJZMWJRUKIQGL-POEQRLLMSA-N 866.781 4.444 10 10 KICE in-vitro O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 1084267510 BDPOZHKXRHAMRE-NVMNQCDNSA-N 566.320 4.331 10 10 KICE NC1=C(C(=O)NCc2ccccc2)[C@@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3ccccc3)c2O1 1864015130 JYTNLYQJGXCIKO-FQEVSTJZSA-N 522.483 4.313 10 10 KICE CCCC[C@H](NC(=O)c1cc(C2CC2)n2nc(C3CC3)cc2n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868989354 XGNJNILPYCNQTI-DEOSSOPVSA-N 530.673 4.130 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)c3n[nH]c(C)c3-c3ccccc3)CC2)cc1 1869064606 VYAGYEMDBHAVCI-MHZLTWQESA-N 541.627 4.223 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCc5nc[nH]c5[C@@H]4C)nc(-c4cccc(OC)c4)n3)CC2)cc1 1869320288 XMCWHJJXVNEVOM-FQEVSTJZSA-N 511.630 4.334 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCN(CCc5ccccc5OC)CC4)nc(-c4cccnc4)n3)CC2)cc1 1869360543 VCERQSQLCDREIU-UHFFFAOYSA-N 565.722 4.247 10 10 KICE COCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccc(OC)c(OC)c2)C1=O 1873165261 FHMFTCOKALTCIL-UHFFFAOYSA-N 503.599 4.018 10 10 KICE CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccc(C(=O)O)cc4)c(OC)c3)C2=O)cc1 2294134039 QCBHAWLEZVMIGI-UHFFFAOYSA-N 516.506 4.038 10 10 KICE CCOc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC)ccc1OCc1ccccc1Cl 2297345465 YQADBULCMSTRBZ-UHFFFAOYSA-N 533.031 4.329 10 10 KICE CC[C@H](Oc1ccc(C=C2SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1OC)C(=O)O 2314933000 QYHQKDDERJKMNM-SFHVURJKSA-N 539.635 4.141 10 10 KICE COc1ccc(/C=C2\SC(=S)N([C@@H]3CC(=O)N(c4ccccc4C(F)(F)F)C3=O)C2=O)cc1OC 101974252 ZQRIJRGOOLXLBT-YQYFLZKSSA-N 522.526 4.256 10 10 KICE CCCn1c(NCc2ccc(OC)cc2)c(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c(C)c(C#N)c1=O 143317291 XKLCMOTUASHGIY-YTLMXASBSA-N 538.695 4.439 10 10 KICE COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(C(C)(C)C)cc3)C2=O)ccc1OCC(=O)O 210453654 UFBNLWBJFDRUNR-UNOMPAQXSA-N 500.598 4.002 10 10 KICE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(F)cc1)=C(N)O2 1864012170 TUIRZHZDHHTQBR-DEOSSOPVSA-N 534.975 4.455 10 10 KICE CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(Cl)cc1)=C(N)O2 1864014607 ZDUCJZRPWXWLCK-QFIPXVFZSA-N 511.022 4.364 10 10 KICE CC(C)CCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccn2)[C@@H]1c1ccc(O)c(O)c1 1864016583 STJBXUFJQAPSQB-QHCPKHFHSA-N 511.582 4.202 10 10 KICE COc1ccc(-c2nn(CC(C)C)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)NCc2cccnc2)=C(N)O3)cc1 1864016950 ATGQUIGMZWZEDA-DEOSSOPVSA-N 541.608 4.032 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H](C)c3ccc(Br)cc3)CC2)cc1 1868837412 DAWLPDQWFVMZEZ-DCFHFQCYSA-N 566.496 4.343 10 10 KICE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4cccc(C)c4)cn3CCCN(C)C)CC2)cc1 1870621984 KTMFTAWBELWOOY-UHFFFAOYSA-N 504.675 4.018 10 10 KICE COc1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C3CCN(C)CC3)C2=O)cc1OC 1873169024 VJEPZEKSCWJYIH-UHFFFAOYSA-N 528.653 4.075 10 10 KICE N=C1C(=Cc2ccc(OCCOc3ccccc3)cc2)C(=O)N=C2SC(CC(=O)N3CCCCC3)=NN12 2296070815 ROOISQCDGXZRMW-UHFFFAOYSA-N 517.611 4.166 10 10 KICE CN(Cc1ccccc1)C(=O)Cn1cc(C=C2SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 2326945270 GFZBZFQEZZBQLU-UHFFFAOYSA-N 507.637 4.366 10 10 KICE COc1cc(C=C2C(=O)N(Cc3ccc(C)cc3)N=C2C(F)(F)F)ccc1OCCN1CCOCC1 2332105344 YYFLAYAXTVEQEJ-UHFFFAOYSA-N 503.521 4.059 10 10 KICE COc1ccc(CCN2C(=O)/C(=C\c3ccc(OCCC(=O)O)c(OC)c3)SC2=S)cc1OC 16912001 JQOJCOBYXHZDMG-KGENOOAVSA-N 503.598 4.010 10 10 KICE CCN1C(=O)/C(=C2/SC(=S)N(CC(=O)OC3CCCCC3)C2=O)c2cc(Br)ccc21 33327029 SLIBKRFCHZSVTI-ISLYRVAYSA-N 509.447 4.263 10 10 KICE COc1ccc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=S)N=C2O)cc1CN1C(=O)c2ccccc2C1=O 33905508 GWRIBRVDYDKLGQ-FYJGNVAPSA-N 515.522 4.302 10 10 KICE Cc1ccc2nc(N3CCN(c4ccccc4F)CC3)c(/C=C3/SC(=S)N(Cc4ccco4)C3=O)c(=O)n2c1 100880738 GBEJMQIPASPYAG-HZHRSRAPSA-N 561.664 4.463 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 254413591 VKLUTNPFXSIVBH-MHZLTWQESA-N 588.642 4.041 10 10 KICE CCN1C(=c2sc(=C3C(=O)N(C4CCCCC4)N=C3C)n(-c3ccccc3)c2=O)C=Cc2ccccc21 254443385 ZHAJFOABMAWXEI-UHFFFAOYSA-N 510.663 4.262 10 10 KICE CCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(OC)cc1)=C(N)O2 1864020415 YMOXOOWUPABSEL-SANMLTNESA-N 540.620 4.233 10 10 KICE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)N1CCC[C@H](C)C1)[C@@H]2c1ccc(O)c(O)c1 1865034174 QXSZINUKQFIMEM-GAJHUEQPSA-N 518.614 4.333 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)[C@H]3CCCN3Cc3ccccc3F)c3ccccc3)CC2)cc1 1868822814 WUWHXKABVHMJJB-WDYNHAJCSA-N 530.644 4.005 10 10 KICE CCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N(C(=O)[C@@H]2CCCN2)C2CCCCC2)n1 1869215165 UHMYCFLKYMXTTM-VWLOTQADSA-N 506.695 4.182 10 10 KICE CCCCCNC(=O)c1cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc2n1Cc1ccco1 1873598753 IILXJVVVFKTTHX-UHFFFAOYSA-N 502.619 4.328 10 10 KICE O=C(O)CCCCCN1C(=O)C(=Cc2c(N3CCN(c4ccc(F)cc4)CC3)nc3ccccn3c2=O)SC1=S 2314408610 PMXPFKKLZJHCJS-UHFFFAOYSA-N 581.695 4.006 10 10 KICE CCc1ccc(CC)c(-c2no[nH]c2=NC(=O)CN2C(=O)C(=Cc3ccc(OC)cc3)SC2=S)c1 2314817687 PXDVPGLIIBMPTE-UHFFFAOYSA-N 508.625 4.132 10 10 KICE CCCCOC(=O)c1cccc(-c2ccc(/C=C3/C(=O)N(c4ccc(S(N)(=O)=O)cc4)N=C3C)o2)c1 33411058 VETBLRKZHCOUNK-XQNSMLJCSA-N 507.568 4.357 10 10 KICE CCOC(=O)COc1ccc(/C=C2/SC(=S)N(Nc3nc4ccccc4s3)C2=O)cc1OC 35519894 NZMCQZBNIIVCLI-WOJGMQOQSA-N 501.611 4.475 10 10 KICE O=C(O)CCCCCN1C(=O)/C(=C\c2c(Oc3ccccc3F)nc3ccccn3c2=O)SC1=S 39835700 XIBVEJLYKDXWDK-NBVRZTHBSA-N 513.572 4.472 10 10 KICE COc1ccc(CN2C(=O)/C(=C\c3c(N4C[C@@H](C)O[C@H](C)C4)nc4c(C)cccn4c3=O)SC2=S)cc1 100851111 HYCJNHNIBLDQHY-ZAERPUHVSA-N 536.679 4.027 10 10 KICE COc1cc(/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1OCCOc1ccc(NC(C)=O)cc1 101427502 HMAGAMRBRWILJE-DKWOXAKMSA-N 547.515 4.293 10 10 KICE CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(C(=O)OC(C)C)cc1)=C(N)O2 1864013595 DHJWAMFNUDGUDG-XMMPIXPASA-N 548.640 4.233 10 10 KICE CCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(F)cc1)=C(N)O2 1864017125 GAJQFQRFGQQUFM-VWLOTQADSA-N 544.583 4.047 10 10 KICE CCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(OC)cc1)=C(N)O2 1864018834 RROAOSBRXLFXNQ-RUZDIDTESA-N 544.583 4.064 10 10 KICE CCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1ccc(C(C)C)cc1 1865153560 YECPOXMLFFVWEP-AREMUKBSSA-N 515.658 4.387 10 10 KICE CCOC(=O)c1c(NC(=O)[C@H](CC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)sc2c1CCC2 1866006410 WLSMDEGCVFONFN-SFHVURJKSA-N 516.616 4.379 10 10 KICE O=C(CCc1ncc2ccccn12)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866897074 ADCWVCBSCPDMIZ-MHZLTWQESA-N 542.595 4.409 10 10 KICE CC[C@@H](NC(=O)[C@@H]1CCCN1Cc1ccccc1F)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866921116 XSJQHROEAWIANN-NOZRDPDXSA-N 513.569 4.099 10 10 KICE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 2313557358 BCDJQVQGWDHBLB-UHFFFAOYSA-N 500.236 4.423 10 10 KICE NC(=O)C1CCN(c2nc3ccccc3cc2C=C2SC(=S)N(Cc3ccc(F)cc3)C2=O)CC1 2314650668 VPIGMJLLKOYDRU-UHFFFAOYSA-N 506.628 4.477 10 10 KICE O=C(CCCN1C(=O)/C(=C/c2ccccc2OC(F)F)SC1=S)Nc1ccc(C(=O)O)c(O)c1 16922737 RCDUHMNBQBSCEY-YVLHZVERSA-N 508.524 4.312 10 10 KICE CCOCCCN1C(=O)/C(=C\c2c(N3CCN(c4ccccc4F)CC3)nc3ccc(C)cn3c2=O)SC1=S 100880742 HDKPEJQOTNTPHI-HAVVHWLPSA-N 567.712 4.096 10 10 KICE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCCOc4ccc(C)cc4)c(Cl)c3)C(=N)N21 101395680 UQHDISPOAPVPKF-NWSLSDTJSA-N 533.031 4.118 10 10 KICE CCOc1c(Br)cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1I 1084073768 SMYNCUZZQXEDRL-XFFZJAGNSA-N 575.197 4.423 10 10 KICE CC(C)(C)C(=O)OC[C@H](N=[N+]=[N-])[C@H]1O[C@@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C 1775956677 JLKYKJIAGQRDOG-TZNCUMHOSA-N 541.642 4.485 10 10 KICE in-vitro CCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H]1CCCC[C@H]1C)=C(N)O2 1864018869 SOUOUSXVVQSUNZ-YOJAFSQSSA-N 520.605 4.434 10 10 KICE CCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(C)cc1)=C(N)O2 1864019454 ZBBMKZRZIAWSKU-RUZDIDTESA-N 528.584 4.364 10 10 KICE Cc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C)C1)=C(N)O2 1865026643 QQZSODORVDTZQS-CMJOXMDJSA-N 509.006 4.258 10 10 KICE CCC[C@@H](NC(=O)/C=C(\C)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867075223 ZQROQMXRVXSYLL-WFBCFIKKSA-N 573.671 4.039 10 10 KICE CCOc1cc(C(=O)N[C@H](C)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc(OCC)c1OCC 1867389969 IYELMHIKYVJIPC-GJZUVCINSA-N 554.732 4.410 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCN(C(=O)CCN5CCCC5)CC4)nc(-c4ccc(Cl)cc4)n3)CC2)cc1 1869258342 YCWGVZVEFCTZKP-UHFFFAOYSA-N 590.172 4.267 10 10 KICE CCCCN=c1nc(Nc2ccc(OC(F)(F)F)cc2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871572656 KMJIRZABQZEEEL-UHFFFAOYSA-N 517.556 4.483 10 10 KICE COc1ccc(N2CCN(CCC(=O)c3ccc(NC(=O)c4ccc(OC)c(OC)c4)cc3)CC2)cc1 1874749445 SWFMGQQZYLEVRB-UHFFFAOYSA-N 503.599 4.360 10 10 KICE CCCCN1C(=O)C(=Cc2c(N3CCN(c4ccc(F)cc4)CC3)nc3c(C)cccn3c2=O)SC1=S 2296732213 JAYRHIMXPFMATP-UHFFFAOYSA-N 537.686 4.470 10 10 KICE C[C@@H]1C[C@H]1c1ccc(CN(C(=O)CCN2C(=O)C(=Cc3ccccc3)SC2=S)[C@@H]2CCS(=O)(=O)C2)o1 2314828805 LAIABXAHIRYFJZ-YFVAEKQCSA-N 544.720 4.210 10 10 KICE COc1ccc(CCN2C(=O)/C(=C\c3c(NC[C@@H]4CCCO4)nc4c(C)cccn4c3=O)SC2=S)cc1OC 100885014 IHEONEFCUFKFHC-CKMDTHJYSA-N 566.705 4.055 10 10 KICE CCc1sc(NC(=O)C(=O)NCCCCCC(=O)O)c(C(=O)OC)c1-c1ccc(Br)cc1 1860763302 DGUFWRGYWCRBSQ-UHFFFAOYSA-N 525.421 4.226 10 10 KICE Cc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccs1)=C(N)O2 1864008042 ARIDINHVYWFJBX-NRFANRHFSA-N 508.987 4.318 10 10 KICE Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCC(C)C)=C(N)O2 1864009365 GCDKQBPEZZFINE-QFIPXVFZSA-N 514.985 4.300 10 10 KICE Cc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1F)=C(N)O2 1864012100 RAOARCMMQXRWDQ-DEOSSOPVSA-N 534.975 4.455 10 10 KICE CCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(F)cc1)=C(N)O2 1864019999 UAEPTCRGJXILJZ-VWLOTQADSA-N 528.584 4.364 10 10 KICE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)NCC(C)C)=C(N)O3)cc1 1864021657 FAMWPKRSTDJALW-VWLOTQADSA-N 540.620 4.485 10 10 KICE COc1cc(/C=C2\C(=O)N(Cc3ccc(Cl)cc3)N=C2C(F)(F)F)ccc1OCCN1CCOCC1 1865665298 MBBKIPLKXOKLQI-ZHZULCJRSA-N 523.939 4.404 10 10 KICE CCCC[C@H](NC(=O)c1cc(OC)c(OC)c(OC)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867339646 NAYHNKWXRIQISE-UIOOFZCWSA-N 554.732 4.410 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)Cc3nc(-c4ccc(C)cc4)oc3C)CC2)cc1 1868639572 PYHNDHJMWMOYIN-VWLOTQADSA-N 536.698 4.096 10 10 KICE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccc(F)cc4)cn3CCCCCO)CC2)cc1 1870625064 NDWLYFXSAXSXDF-UHFFFAOYSA-N 509.622 4.060 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(N4CCN(C)CC4)cc3)C(=O)N(CCOC(C)C)C2=O)cc1 1873420795 VYUHTHWPYRYJMD-UHFFFAOYSA-N 541.696 4.463 10 10 KICE CCOc1cc(C=C2C(=O)NC(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)cc(I)c1OC 2297332827 BPCIXNCQWCUHJO-UHFFFAOYSA-N 586.766 4.036 10 10 KICE CCOC(=O)c1ccc(NC(=O)CCN2C(=O)C(=Cc3ccc(OC)c(OC)c3)SC2=S)cc1 2314827554 HKYSYYXVXMQWDN-UHFFFAOYSA-N 500.598 4.111 10 10 KICE O=C(CN1C(=O)SC(=Cc2cc(Br)cc(Br)c2O)C1=O)Nc1ccc(O)cc1 2314838005 ZUAVRFNVXPJKLF-UHFFFAOYSA-N 528.178 4.298 10 10 KICE CCOCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2N2C[C@H](C)C[C@@H](C)C2)SC1=S 39989798 TWIKYFCVCIXMOH-SJJRUYGKSA-N 502.706 4.158 10 10 KICE NS(=O)(=O)c1ccc(NC(=O)COc2ccccc2/C=C2\SC(=S)N(Nc3nc4ccccc4s3)C2=O)cc1 101916271 GKSOWLWHRWINPL-BKUYFWCQSA-N 597.725 4.190 10 10 KICE CC(C)(C)OC(=O)CN(CCN(CC(=O)OC(C)(C)C)[C@H](Cc1ccc(N)cc1)C(=O)OC(C)(C)C)CC(=O)OC(C)(C)C 103652829 PNAJJMLCNYTZDD-RUZDIDTESA-N 621.816 4.151 10 10 KICE CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccc(/N=N/c2ccccc2)cc1)C(=O)NCC(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCNC(=N)N)C(=O)Nc1ccccc1 245240295 QEKLQEDHXHSXSP-XWJHVGHHSA-N 852.010 4.228 10 10 KICE O=C(O)CCNC(=O)c1ccc(N=Nc2cc(N=Nc3ccc(C(=O)NCCC(=O)O)cc3)c(O)c(C(=O)O)c2)cc1 1083069690 GTWSSNPLAKYAOG-UHFFFAOYSA-N 576.522 4.330 10 10 KICE COc1c(I)cc(I)cc1/C=C1/C(=O)NC(=O)N(c2ccc(C)cc2C)C1=O 1083980828 DORGTGJFEYSICL-ZSOIEALJSA-N 602.166 4.188 10 10 KICE O=C1c2ccccc2C(=O)c2cc(NC(=O)C3CCN(C(=O)/C=C/c4ccc([N+](=O)[O-])cc4)CC3)ccc21 1860597308 USITWOCAKUAEQG-KPKJPENVSA-N 509.518 4.261 10 10 KICE NC1=C(C(=O)NCc2ccc(F)cc2)[C@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3ccccc3)c2O1 1864015067 IYMUBAAFAGWTHC-HXUWFJFHSA-N 540.473 4.452 10 10 KICE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC(C)C)=C(N)O2 1864019193 WAJAECQCPXWYIR-HXUWFJFHSA-N 517.413 4.431 10 10 KICE CCCOc1ccc([C@H]2C(C(=O)N3CCN(c4ccc(OC)cc4)CC3)=C(N)Oc3c2c(C)nn3CC)cc1 1865269730 DKZNGPLOJGSCAJ-AREMUKBSSA-N 531.657 4.052 10 10 KICE CC(C)C[C@@H](C(=O)N[C@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cccc(Br)c1 1867201557 GANYQQXBHGAUOU-ISKFKSNPSA-N 563.448 4.470 10 10 KICE COc1ccc(N2CCN(c3nc(=NCc4ccc(C)cc4)[nH]c(=Nc4cc(C)ccc4C)[nH]3)CC2)cc1 1871671479 RHFDRSZJDXSVTA-UHFFFAOYSA-N 509.658 4.332 10 10 KICE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@H]3CC[C@H](CNS(=O)(=O)c4ccccc4)CC3)cccc21 1874017464 QKOQMVRCEQPFBJ-WGSAOQKQSA-N 502.592 4.185 10 10 KICE O=C1NC(=S)N(c2cccc(Br)c2)C(=O)C1=Cc1cc(Br)cc(I)c1O 2297453041 MDLOSUCVSDWXSU-UHFFFAOYSA-N 608.049 4.353 10 10 KICE Cc1ccc2nc(NC3CCCC3)c(C=C3SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(=O)n2c1 2314413894 KXEFKHMAMGCRCV-UHFFFAOYSA-N 520.636 4.488 10 10 KICE Cc1ccc(C(C)C)c(Oc2nc3ccccn3c(=O)c2C=C2SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c1 2314508681 PYRPJDIZHDXEBA-QGZVFWFLSA-N 555.703 4.307 10 10 KICE O=C(O)CCN1C(=O)C(=C2C(=O)N(CCOc3cccc4ccccc34)c3ccccc32)SC1=S 2326944929 MAFHTXOANROORG-UHFFFAOYSA-N 504.589 4.312 10 10 KICE Cc1ccc(CN(C)C(=O)CN(CCNC(=O)OC(C)(C)C)Cc2ccccc2)c(O)c1Br 2352942450 FMGBQZOVGUPYAT-UHFFFAOYSA-N 520.468 4.448 10 10 KICE CCCCn1c(N2CCOCC2)c(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)c(C)c(C#N)c1=O 39990315 FGUKRSHEGXPQPF-HAHDFKILSA-N 522.696 4.375 10 10 KICE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cc(Br)c(O)c(I)c1 103858060 KHJLIZLVOXWWOB-WZUFQYTHSA-N 591.981 4.188 10 10 KICE CCN1CCN(c2c(/C=C3/SC(=S)N(CCCc4ccccc4)C3=O)c(C)c(C#N)c(=O)n2CC)CC1 105683740 ZVCQDDMUWAKWSF-HKOYGPOVSA-N 535.739 4.024 10 10 KICE Cc1cccn2c(=O)c(/C=C3\SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(NC[C@@H](O)c3ccccc3)nc12 110555722 MCZGMDKTRVWJKE-KRFWEUHSSA-N 624.748 4.352 10 10 KICE O=C(CCC(=O)N1CCC(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)CC1)c1cccs1 1860606554 KDPZNMLBJBPNIW-UHFFFAOYSA-N 500.576 4.364 10 10 KICE COc1ccccc1NC(=O)Cn1cc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 1860827430 YBNVDPPLRSDDCF-FYJGNVAPSA-N 509.609 4.355 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)CCCc3ccc(OC)c(OC)c3)CC2)cc1 1868716716 NXWMKXRUXKDSQH-NDEPHWFRSA-N 563.670 4.251 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)c3nn(-c4ccc(Cl)c(Cl)c4)c4c3CCC4)CC2)cc1 1868772051 DIJCPXRPBBXCSF-QGZVFWFLSA-N 542.467 4.144 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)cc3)c(=O)n2[C@@H]1C=Cc1ccccc1 2295924271 MTMMWWZCWPGIKB-XMMPIXPASA-N 501.652 4.310 10 10 KICE COCCCN1C(=O)C(=Cc2c(N3CCN(c4cccc(Cl)c4)CC3)nc3c(C)cccn3c2=O)SC1=S 2296705090 OTOBROQKEKKDNI-UHFFFAOYSA-N 570.140 4.221 10 10 KICE CN1CCN(c2ccc(C=C3C(=O)NC(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)cc2[N+](=O)[O-])CC1 2313548568 YMHKYRYOUHMOTE-UHFFFAOYSA-N 569.662 4.481 10 10 KICE CC[C@H](CO)Nc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccccc2Cl)C1=O 97464710 FVGVMWPIAMWAGZ-YDDPGSGASA-N 515.060 4.241 10 10 KICE COc1ccc(/C=C2\SC(=S)N(CCC(=O)N(Cc3c(F)cccc3Cl)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 101283115 DNMZRQQXCAQBHW-VYZAVGSRSA-N 583.128 4.295 10 10 KICE COc1c(I)cc(I)cc1/C=C1/C(=O)NC(=O)N(c2cccc(C)c2C)C1=O 103813872 LDHFLQRHWRBORS-ZSOIEALJSA-N 602.166 4.188 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)cc3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br 252674491 SFEIRYWYNMILNK-AREMUKBSSA-N 614.562 4.424 10 10 KICE CCOc1cccc(C2=C(O)C(=O)N(c3cc(C(=O)OC)cc(C(=O)OC)c3)[C@H]2c2ccc(O)c(O)c2)c1 526287041 OQTJIUBSRLCONL-DEOSSOPVSA-N 519.506 4.127 10 10 KICE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCc2ccccc2F)[C@H]3c2ccc(O)c(O)c2)cc1 1864008694 PYPNQDSQWGMTQD-DEOSSOPVSA-N 500.530 4.050 10 10 KICE CCCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)C13CC4CC(CC(C4)C1)C3)=C(N)O2 1864012534 CKNOGMQBUOGAQP-ACIFMUOSSA-N 506.647 4.200 10 10 KICE Cc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1C)=C(N)O2 1865027798 LJGOELTYELRGPM-FPTDNZKUSA-N 539.430 4.450 10 10 KICE CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(C)nn2-c2cccc3ccccc23)[C@@H]1c1ccc(O)c(O)c1 1865029475 OEPNREGUDDBUEQ-SANMLTNESA-N 528.609 4.061 10 10 KICE CCCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCC1)=C(N)O2 1865030940 VRKMIMHAXTYEBZ-HSZRJFAPSA-N 506.578 4.141 10 10 KICE CC(C)CN1C(=O)c2ccc(C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O 1867417688 BMBBMHDMTMXBAO-LQJZCPKCSA-N 639.797 4.395 10 10 KICE CCCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2C[C@@H](C)N(CCOC)[C@H](C)C2)n1 1868387140 SMFXOGLWMQDWCZ-WOJBJXKFSA-N 513.642 4.494 10 10 KICE COc1ccc(N2CCN(Cc3cc(=O)c(OCC=C(C)C)cn3CCCCN3CCCC3)CC2)cc1 1870613124 FZDQWVWNRXKQNE-UHFFFAOYSA-N 508.707 4.400 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(F)cc3Cl)C(=O)N(CCN3CCOCC3)C2=O)cc1 1873425494 BDEOZYGJZVIVPN-UHFFFAOYSA-N 523.008 4.411 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)Cc3ccc(C)c(C)c3)CC2)cc1 1874643356 XLISEWASMBGUHK-PMERELPUSA-N 524.665 4.412 10 10 KICE CCOCCCNc1ncnc2c1cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2Cc1ccccc1 1875216878 XHKYKAYYERIREW-UHFFFAOYSA-N 528.657 4.289 10 10 KICE O=C1C(=Cc2c(NCc3ccc4c(c3)OCO4)nc3ccccn3c2=O)SC(=S)N1Cc1ccco1 2296724112 SYFJVUZMEAGZGG-UHFFFAOYSA-N 518.576 4.030 10 10 KICE O=C1C(=Cc2c(N3CCc4ccccc4C3)nc3ccccn3c2=O)SC(=S)N1Cc1ccc2c(c1)OCO2 2296848597 JEHYHGISMGPFFE-UHFFFAOYSA-N 554.653 4.387 10 10 KICE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 2313557280 ZDDGSZXIFKDGIK-UHFFFAOYSA-N 577.977 4.460 10 10 KICE Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccccc1C(=O)O 2313561215 ZHGWFMQBMKFPFY-UHFFFAOYSA-N 508.328 4.221 10 10 KICE Cc1cccn2c(=O)c(C=C3SC(=S)N(CCCCCC(=O)O)C3=O)c(N3C[C@H](C)C[C@@H](C)C3)nc12 2314400962 SGZRKNNDXCAEOC-IAGOWNOFSA-N 528.700 4.331 10 10 KICE CCN(CC)C(=O)COc1ccc(C=C2SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)cc1 2314764567 GNOIZAKUMVLDKR-UHFFFAOYSA-N 504.033 4.133 10 10 KICE COc1ccc(CN2C(=O)/C(=C/c3c(N4CCCC[C@H]4C)nc4ccccn4c3=O)SC2=S)cc1 33804030 UPIHUKBLHCVQQQ-VKZJTJHYSA-N 506.653 4.483 10 10 KICE CCCOC(=O)[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(OCC(=O)N3CCOCC3)c(OCC)c2)SC1=S 101739925 RHSIOCUWUOMDDH-NQCZSQBNSA-N 584.716 4.219 10 10 KICE COc1cc(NC(=O)c2cc(I)ccc2I)c(N2CCOCC2)cc1OC 104472146 GXBCHFCUXDHBTR-UHFFFAOYSA-N 594.187 4.002 10 10 KICE COC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(C)C)c(Br)c3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 252676461 XDOUIMCIFZEDMR-XMMPIXPASA-N 554.510 4.360 10 10 KICE Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(Cl)cc1)=C(N)O2 1864007005 CWNMGMJLPJBXKJ-QHCPKHFHSA-N 502.958 4.256 10 10 KICE Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCc1ccccc1)=C(N)O2 1864008212 FYDVCUYDJSFTEC-HHHXNRCGSA-N 524.621 4.485 10 10 KICE COC(=O)c1c(NC(=O)[C@H]2C[C@H](O)CN2C(=O)c2ccccc2)sc(C)c1-c1ccc(Br)cc1 1866203570 HGMOSEWLFPOYPP-RBUKOAKNSA-N 543.439 4.487 10 10 KICE CCCC[C@H](NC(=O)CCN(Cc1cccnc1)C(=O)OC(C)(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868927631 NWLLGLSUIZVNML-MHZLTWQESA-N 567.731 4.241 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(OC(C)=O)cc3)NC(=O)C[C@H](C)c3cccc(OC)c3)CC2)cc1 1868941275 JPMGGYLFAMQUGY-FWUCURJTSA-N 573.690 4.199 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCN(c5ccc6oc(O)nc6c5)CC4)nc(C(C)(C)C)n3)CC2)cc1 1869180418 MOUXVONPBNQBNF-UHFFFAOYSA-N 543.672 4.283 10 10 KICE COc1ccc(N2CCN(CCC(=O)c3cccc(NC(=O)Cc4ccc(OC)c(OC)c4)c3)CC2)cc1 1874719206 AFSLPVSGIKDYJM-UHFFFAOYSA-N 517.626 4.289 10 10 KICE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N(CCOC)C2=O)c1 2296547638 QOXUWYPZDFAJKR-UHFFFAOYSA-N 556.735 4.417 10 10 KICE Cc1cccn2c(=O)c(C=C3SC(=S)N(C[C@H]4CCCO4)C3=O)c(NCCc3ccccc3)nc12 2296697771 JSUMVAKBGNABHF-LJQANCHMSA-N 506.653 4.038 10 10 KICE CCOc1cc(C=C2C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 2296740612 FEHVTWFWBBJSNR-UHFFFAOYSA-N 507.528 4.488 10 10 KICE CC(=O)Nc1ccc(OCCOc2ccc(C=C3C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)cc2)cc1 2297347347 SGAJUJUIXHEJRN-UHFFFAOYSA-N 517.489 4.284 10 10 KICE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 2297533990 XIAASBKOIQQDML-UHFFFAOYSA-N 615.336 4.159 10 10 KICE Cc1cccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc(N5CCOCC5)cc4)c3C)C(=O)NC2=S)c1C 2313623903 HHJOXRPBYJLDNO-UHFFFAOYSA-N 514.651 4.379 10 10 KICE Cc1ccc2nc(N3C[C@H](C)O[C@@H](C)C3)c(C=C3SC(=S)N(CCc4ccccc4)C3=O)c(=O)n2c1 2314400200 KYODFNRUYBVFLI-OALUTQOASA-N 520.680 4.060 10 10 KICE CCOCCCNc1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(c2c(C)n(C)n(-c3ccccc3)c2=O)C1=O 110077404 PQTXKNLJNNYELP-JWGURIENSA-N 590.731 4.045 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OCc4ccc(C(=O)O)cc4)cc3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 252668227 DZZGCYCFYKRHAI-LJAQVGFWSA-N 597.693 4.142 10 10 KICE CC(C)CCC(=O)NCc1ccc(S(=O)(=O)NC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 1858680396 SJPKNBQFPDNBNJ-UHFFFAOYSA-N 533.606 4.025 10 10 KICE CCCc1ccc(OCC(=O)N[C@H](C(=O)N2CCN(c3ccc(OC)cc3)CC2)c2ccccc2)cc1 1862197371 OZCNALNSBNYYJP-LJAQVGFWSA-N 501.627 4.233 10 10 KICE Cc1ccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3Cc3ccccc3F)[C@@H]2c2ccc(O)c(O)c2)cc1 1864010676 AOVZMBHYUVGWLC-VWLOTQADSA-N 514.557 4.110 10 10 KICE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1cccc(Cl)c1)[C@@H]2c1ccc(O)c(O)c1 1864022533 NYZKMGBAWAYZKG-QGZVFWFLSA-N 522.911 4.388 10 10 KICE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1ccccc1 1865023294 IXWHJYPJEDUYSD-NRFANRHFSA-N 541.574 4.364 10 10 KICE Cc1c(C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1867817168 KJHFKOJDAJXSGX-DGPALRBDSA-N 618.691 4.268 10 10 KICE CCCC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867830780 DBZMXHUPGVYNBZ-CLJLJLNGSA-N 554.648 4.201 10 10 KICE CCCC[C@@H](NC(=O)Cc1nc(-c2ccccc2OC)oc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868655506 UHWCNRRGBTXEQR-RUZDIDTESA-N 534.657 4.234 10 10 KICE Cc1ccc(CN2C(=O)C(=C3SC(=S)N([C@H]4CCS(=O)(=O)C4)C3=O)c3cc(Br)ccc32)cc1 2296545338 IPJVNJFCVNMXDO-INIZCTEOSA-N 563.520 4.063 10 10 KICE COc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc(N(C)C)cc4)c3C)C(=O)NC2=S)c(OC)c1 2313543801 KIHDICFOAKUPLI-UHFFFAOYSA-N 504.612 4.009 10 10 KICE C[C@H]1CN(C2=NC(=O)C(=Cc3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N4CCCC4)c3)S2)C[C@H](C)O1 2314476165 JTUBGOSNSMSFRS-SFTDATJTSA-N 577.732 4.403 10 10 KICE O=C1c2ccccc2C(=O)c2c(NC(=O)C3CCN(C(=O)C=Cc4ccc([N+](=O)[O-])s4)CC3)cccc21 2322107663 IGUDWXCTNIDRMZ-UHFFFAOYSA-N 515.547 4.322 10 10 KICE CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C\NCCN1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 20494901 GYYSKZPQOZNGSA-QOMWVZHYSA-N 521.681 4.163 10 10 KICE COc1ccc(CCN2C(=O)/C(=C/c3c(C)c(C#N)c(=O)n(C)c3N3CCC[C@H](C)C3)SC2=S)cc1OC 110519323 ZLWLYMGWOHEITG-PDESAOGPSA-N 552.722 4.263 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)cc1 1862235825 QKMDETFNOOJYER-CQSZACIVSA-N 503.443 4.200 10 10 KICE COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCCc2ccc(Cl)cc2)[C@@H]3c2ccc(O)c(O)c2)cc1 1864006924 APCUTUJEYMSZCQ-RUZDIDTESA-N 547.011 4.307 10 10 KICE COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N2CCCc4ccccc42)[C@H]3c2ccc(O)c(O)c2)cc1 1865027879 MWTPFHMQNDQQFW-SANMLTNESA-N 524.577 4.275 10 10 KICE C[C@H]1CCCN(C(=O)C2=C(N)Oc3c(c(-c4ccccc4)nn3-c3ccccn3)[C@H]2c2ccc(O)c(O)c2)C1 1865031288 DNOIPPHPMNLVMP-MHECFPHRSA-N 523.593 4.299 10 10 KICE CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1ccccc1OC(C)C 1865456746 IHLRTHSTPAHOTG-HHHXNRCGSA-N 545.684 4.441 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)Cc3nc(-c4ccccc4Cl)oc3C)CC2)cc1 1868646313 LPQFNFAYPJPDFY-DEOSSOPVSA-N 557.116 4.441 10 10 KICE COc1ccc(N2CCN(c3nc(=NCc4ccccn4)nc(Nc4ccc(Cl)cc4C)[nH]3)CC2)cc1 1871570549 DBXNXUJRCHMMGL-UHFFFAOYSA-N 517.037 4.341 10 10 KICE Cc1cc([N+](=O)[O-])ccc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCN2CCOCC2)C1=O 1873425579 GNDKSCVTIKJTFC-UHFFFAOYSA-N 543.624 4.225 10 10 KICE Cc1ccc(CN2C(=O)C(=Cc3c(N4CCSCC4)nc4c(C)cccn4c3=O)SC2=S)cc1 2295987704 WHCOUYVCRVRALH-UHFFFAOYSA-N 508.694 4.266 10 10 KICE COc1cc(C=O)ccc1OCC(=O)N1N=C(c2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccc(N(C)C)cc1 72413315 IVIZULKYBPOXII-DEOSSOPVSA-N 502.527 4.239 10 10 KICE Cc1ccc([C@H]2CC(c3cccn3C)=NN2C(=O)CN(CCN2CCOCC2)C(=O)c2ccccc2Cl)cc1 101024735 SRKVAUXSNZHOCO-MUUNZHRXSA-N 548.087 4.139 10 10 KICE COc1ccc(CCN2C(=O)/C(=C3\C(=O)N(CC(=O)NCc4ccccc4)c4ccccc43)SC2=S)cc1 102844220 UJZISNOUUVHHSV-OCEACIFDSA-N 543.670 4.172 10 10 KICE Cc1c(NC(=O)CCCN2CS/C(=C3\SC(=S)N(CCCC(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)C2=O)c(=O)n(-c2ccccc2)n1C 150594977 BKFGMUVKIWFLOD-KTMFPKCZSA-N 774.951 4.025 10 10 KICE CCc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@](Cc2ccc([N+](=O)[O-])cc2)(C(=O)O)N[C@H]3c2cc(Br)ccc2O)cc1 251987356 HXZYFKOKHGXAQD-IMBSWCNGSA-N 594.418 4.142 10 10 KICE CCN(CC)c1ccc([C@@H]2C(c3cccc(OC)c3)=C(O)C(=O)N2c2ccc(S(N)(=O)=O)cc2)cc1 526314549 YACPXLUWOJHTPV-RUZDIDTESA-N 507.612 4.246 10 10 KICE CN(C)c1ccc([C@@H]2C(c3cccs3)=C(O)C(=O)N2c2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1 526433938 OEEDCRLUORURMK-HSZRJFAPSA-N 533.635 4.462 10 10 KICE C[C@@H]1C[C@H]1c1ccc(CN(C(=O)CCN2C(=O)/C(=C\c3ccccc3)SC2=S)[C@H]2CCS(=O)(=O)C2)o1 1615296198 LAIABXAHIRYFJZ-PHNAFTRYSA-N 544.720 4.210 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](CSCc3ccccc3)NC(=O)c3ccccc3OC)CC2)cc1 1862051956 YHCHCNWRBSAUOM-AREMUKBSSA-N 519.667 4.084 10 10 KICE COc1ccc([C@H](C)NC(=O)C2=C(N)Oc3c(c(C)nn3Cc3ccc(F)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1 1864011954 NSXGDTAJYAHVQC-QMTYFTJSSA-N 544.583 4.371 10 10 KICE CCCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCC(C)C)=C(N)O2 1864013092 PXURETXTUHFMBN-HSZRJFAPSA-N 508.594 4.291 10 10 KICE CCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCCC1)=C(N)O2 1864020195 WXINNSACJQKGKS-DEOSSOPVSA-N 502.615 4.439 10 10 KICE CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCc3ccccc3C1)=C(N)O2 1865032849 MPMJSXAMYKEDHF-SANMLTNESA-N 522.605 4.434 10 10 KICE CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)cc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865117366 JVTHCLUQUKKLLK-RUZDIDTESA-N 531.657 4.003 10 10 KICE CCOc1ccc(-c2nc(N3CCN(c4ccc(OC)cc4)CC3)cc(N3CCC[C@@H](CO)C3)n2)cc1 1867996464 HLUPGOUUXJIPKI-JOCHJYFZSA-N 503.647 4.086 10 10 KICE O=C(CNC(=O)c1cc(C2CC2)n2nc(-c3ccccc3)cc2n1)Nc1cccc2c1C(=O)c1ccccc1C2=O 1868160759 MCHLLSHNLRMKMF-UHFFFAOYSA-N 541.567 4.418 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)CCCc3ccc(OC)c(OC)c3)CC2)cc1 1868727072 NVPJPILZJFGEQQ-NDEPHWFRSA-N 545.680 4.111 10 10 KICE CCC[C@@H](NC(=O)[C@@H](c1ccc(OC)c(OC)c1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868863719 MDAZGAIUQITLJP-SHQCIBLASA-N 511.663 4.086 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)c3cc(-c4ccc(F)c(F)c4)[nH]n3)CC2)cc1 1868930927 BQUWXYPBSGRBCH-MUUNZHRXSA-N 563.580 4.193 10 10 KICE Cc1ccc([N+](=O)[O-])cc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCN2CCOCC2)C1=O 1873425653 JVUNFIXEXRSSFD-UHFFFAOYSA-N 543.624 4.225 10 10 KICE COc1ccc(C=C2C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc1COc1ccc(NC(C)=O)cc1 2297056758 VAYVSDQVZXTHHU-UHFFFAOYSA-N 503.486 4.038 10 10 KICE COC(=O)c1cc(-c2ccc(C=C3C(=O)N(c4ccc(S(N)(=O)=O)cc4)N=C3C(F)(F)F)o2)ccc1Cl 2297312505 DZVHSKPKCCQXPP-UHFFFAOYSA-N 553.902 4.383 10 10 KICE Cc1cc(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)c(C)n1-c1ccc(N2CCOCC2)c(Br)c1 2313631537 QCIIKICYBFAQAA-UHFFFAOYSA-N 555.473 4.488 10 10 KICE CCOC(=O)COc1ccc(C=C2SC(=S)N(Nc3nc4ccccc4s3)C2=O)cc1OC 2314489116 NZMCQZBNIIVCLI-UHFFFAOYSA-N 501.611 4.475 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(OC(C)=O)cc3)NC(=O)C(C)=Cc3ccccc3)CC2)cc1 2330087974 UHARERSVXPQAIK-SSEXGKCCSA-N 541.648 4.100 10 10 KICE CCCC[C@@H](CC)CN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2N2CCOCC2)SC1=S 39989620 XBLXGLXZOGOYEQ-MKYLKIGJSA-N 502.706 4.303 10 10 KICE O=C(CSc1nnc(NC2=NC(=O)/C(=C3/C(=O)Nc4ccc(Br)cc43)S2)s1)Nc1ccc(C(=O)O)cc1 157373681 MKTSSKYLMVUWJW-NXVVXOECSA-N 617.488 4.134 10 10 KICE CCCC[C@@H](NC(=O)C(=O)Nc1sc(C)c(-c2ccc(Br)cc2)c1C(=O)OCC)C(=O)O 1860757974 DZNZCXQQIRDYKX-OAHLLOKOSA-N 525.421 4.361 10 10 KICE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(F)cc1)=C(N)O2 1864007450 NDADUEXCTKXNHM-HSZRJFAPSA-N 520.948 4.395 10 10 KICE NC1=C(C(=O)N2CCCCCC2)[C@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(Cc3ccccc3)c2O1 1865033705 GUZPJWBSQZAGLA-HXUWFJFHSA-N 528.531 4.459 10 10 KICE COC(=O)c1c(NC(=O)CN2C(=O)COc3ccccc3C2=O)sc(C)c1-c1ccc(Br)cc1 1866041454 OYHVCWDERMACKA-UHFFFAOYSA-N 543.395 4.273 10 10 KICE CN(C)c1ccc([C@@H](CNC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)N2CCCCC2)cc1 1866109060 ANZRPJHCWGNVKH-AREMUKBSSA-N 500.599 4.099 10 10 KICE CC(=O)Oc1ccc(C[C@@H](NC(=O)[C@@H](c2ccccc2)N(C)C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 1866697357 FIQIMXBXXDLOEK-BVRKHOPBSA-N 589.648 4.356 10 10 KICE CC[C@](C)(NC(=O)[C@H]1CCCN1Cc1ccccc1F)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866920704 UGZMCPPZLQAITE-NJHZRGNWSA-N 527.596 4.489 10 10 KICE CC(=O)Oc1cccc(C(=O)N[C@H](Cc2ccccc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867301578 DQHBJFWFZCCNSI-JSOSNVBQSA-N 556.707 4.362 10 10 KICE CCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCN(C)[C@@H](c3ccc(F)cc3)C2)n1 1869222745 RXQTUHMRQJIYNC-AREMUKBSSA-N 504.654 4.397 10 10 KICE COc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC(C)C)ccc1OCc1ccc(F)cc1 2297345700 TVKWMNAICNUVNU-UHFFFAOYSA-N 530.603 4.061 10 10 KICE CCS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(OCCOc4ccccc4C)c(Cl)c3)C(=O)N=C2S1 2297346447 GAMAQEVMGJWSLT-UHFFFAOYSA-N 533.031 4.118 10 10 KICE Cc1ccc(N2NC(=O)C(=Cc3ccc(-c4ccc(S(=O)(=O)Nc5nccs5)cc4)o3)C2=O)cc1C 2297458393 MILUXFDUQBIKFC-UHFFFAOYSA-N 520.592 4.282 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)C=Cc3cccc(Cl)c3)CC2)cc1 2330366211 DEZVLWHHCCTDCD-MHZLTWQESA-N 504.030 4.438 10 10 KICE CN(C)c1ccc([C@H]2CC(c3cccc(Br)c3)=NN2C(=O)CSc2nnc(N)s2)cc1 72413100 HQGMBNQKZYFSFB-GOSISDBHSA-N 517.478 4.419 10 10 KICE CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 100230348 IAVCCYNPXJJNSK-BKUYFWCQSA-N 571.007 4.490 10 10 KICE CC[C@H](C)N1C(=O)/C(=C\c2c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)nc3ccc(C)cn3c2=O)SC1=S 102391509 HLSUQXBCCVBOGN-OEBVFIGYSA-N 577.732 4.054 10 10 KICE C[C@@H]1Cc2cc(-c3nn(-c4ccccc4)cc3/C=C3/SC(=S)N([C@@H]4CCS(=O)(=O)C4)C3=O)ccc2O1 102682258 IKDALLQSFLPWAU-RROYJYQASA-N 537.688 4.251 10 10 KICE Cc1ccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(CC(=O)N5CCCC5)SC4=NC3=O)cc2)c(C)c1 103610758 SFRXQWOURZAZKM-WZOBNIDESA-N 531.638 4.393 10 10 KICE COc1ccc(CCN2C(=O)/C(=C\c3c(N4CCN(Cc5ccc6c(c5)OCO6)CC4)nc4ccccn4c3=O)SC2=S)cc1OC 150421826 VQJMJYKWSPWWKT-VUTHCHCSSA-N 671.801 4.207 10 10 KICE COc1cccc(Oc2cc(N)c3c(c2N)C(=O)c2c(N)c(Oc4cccc(OC)c4)cc(N)c2C3=O)c1 206677516 MCUJOLUWGVCFHE-UHFFFAOYSA-N 512.522 4.393 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@H]1c1cccc(OC)c1 254408198 GFESCZJKJDBUQQ-MHZLTWQESA-N 545.636 4.354 10 10 KICE CC(C)CNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)cc2)[C@@H]1c1ccc(O)c(O)c1 1864014700 ALIGRLKOCWBCBI-KRWDZBQOSA-N 522.911 4.423 10 10 KICE CCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)CC)=C(N)O2 1864019737 PVWOWNSMKBHHOW-ZUOKHONESA-N 527.419 4.218 10 10 KICE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C)C1)=C(N)O2 1865032792 KUJIOLBNMPXYTG-IVZQSRNASA-N 509.006 4.452 10 10 KICE CC1CCN(C(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3Cc3cccc(F)c3)[C@@H]2c2ccc(O)c(O)c2)CC1 1865034122 PPDSXZDBZLMANH-FQEVSTJZSA-N 546.521 4.454 10 10 KICE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(-c5ccccc5)nn4C)[C@H]3c3ccc(C)cc3)CC2)cc1 1865187004 DOULIJADCUQIIT-AREMUKBSSA-N 535.648 4.448 10 10 KICE COc1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc(OC)c1OC 1867336166 HXELKLRRFWKUTG-VMPREFPWSA-N 588.749 4.463 10 10 KICE CC[C@](C)(NC(=O)c1ccc2c(c1)C(=O)N([C@H](CC(C)C)C(=O)O)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867476184 GYDYGDGJNCHOJV-KPNDNRKWSA-N 633.790 4.090 10 10 KICE CCOC(=O)C1CCN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(-c3cccc(OC)c3)n2)CC1 1867992816 RSRSJQJKWUEJDI-UHFFFAOYSA-N 531.657 4.267 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)c4cccc(F)c4)n(-c4ccc(OC)cc4)n3)CC2)cc1 1869969996 LIUFSANOPLJADQ-UHFFFAOYSA-N 502.550 4.003 10 10 KICE COc1ccc(/C=C/C(=O)Nc2nc(N3CCN(c4ccc(OC)cc4)CC3)nn2-c2ccccc2)cc1 1869970003 LOESIXWLCOKNHS-LICLKQGHSA-N 510.598 4.263 10 10 KICE C[C@@H](O)Cn1cc(OCC(=O)NC2CCCCC2)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870925395 FAJXZLIKBBBUFM-OAQYLSRUSA-N 504.631 4.413 10 10 KICE CCOC(=O)N1CCC(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCOc3ccccc3)C2=O)CC1 1873162383 SIVWFALDIDZTRX-UHFFFAOYSA-N 556.663 4.464 10 10 KICE Cc1ccc(N2C(=O)C(=Cc3cc(Br)c(O)c(Br)c3)C(=O)NC2=S)cc1C 2296738353 JJNHDTZGKXLFPN-UHFFFAOYSA-N 510.207 4.365 10 10 KICE CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OCC(=O)N1CCCCC1 2314764462 CUVQHFQWFKCFOP-UHFFFAOYSA-N 525.652 4.023 10 10 KICE C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)/C(=C/c2ccc(-c3ccccc3)cc2)SC1=S 101971525 VIEMXCRQIOPRFE-GRVPHDJPSA-N 523.661 4.229 10 10 KICE CCCn1c(N2CCN(c3ccccc3)CC2)c(/C=C2\SC(=S)N(CCCOC)C2=O)c(C)c(C#N)c1=O 110526654 XADWCDFVAPFFGY-MOHJPFBDSA-N 551.738 4.003 10 10 KICE CCCn1c(N2C[C@H](C)O[C@@H](C)C2)c(/C=C2\SC(=S)N(Cc3ccc(OC)cc3)C2=O)c(C)c(C#N)c1=O 137730375 VEURKWSIWNEXDQ-GUWGLJCHSA-N 552.722 4.462 10 10 KICE O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 150657764 NFIPCGYYDKSEIR-UQRQXUALSA-N 654.818 4.348 10 10 KICE CCOC(=O)C1=C(C)N(C)C2=S=C(c3ccccc3)C(=O)N2[C@H]1c1ccc(OC(F)F)c(OC)c1 584906365 HNGUICMNESUOOV-FQEVSTJZSA-N 502.539 4.004 10 10 KICE Cc1cc(N2CCCC2)c(F)cc1CN1CCC2(CCCCNC(=O)c3ccccc3OCCNC2=O)CC1 643565720 IJHYDEXXYLOITQ-UHFFFAOYSA-N 536.692 4.425 10 10 KICE CCCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccc(OC)cc2)[C@H]1c1ccc(O)c(O)c1 1864017644 QTWXPJIHPIRBGB-HSZRJFAPSA-N 506.603 4.246 10 10 KICE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4C)[C@H]3c3ccc(Cl)c(Cl)c3)CC2)cc1 1865167260 NZKAZWKAKSNFNC-JOCHJYFZSA-N 528.440 4.087 10 10 KICE CCCOc1cccc([C@H]2C(C(=O)N3CCN(c4ccc(OC)cc4)CC3)=C(N)Oc3c2c(C)nn3CCC)c1 1865263856 XXMOAFRLOGUIIW-HHHXNRCGSA-N 545.684 4.442 10 10 KICE CCCOc1ccc([C@@H]2C(C(=O)N3CCN(c4ccc(OC)cc4)CC3)=C(N)Oc3c2c(C)nn3CCC)cc1 1865271281 XZYQTXPPRFAEJH-MHZLTWQESA-N 545.684 4.442 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCc5nc[nH]c5[C@H]4C)nc(-c4cccc(OC)c4)n3)CC2)cc1 1869320289 XMCWHJJXVNEVOM-HXUWFJFHSA-N 511.630 4.334 10 10 KICE CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C3SC(=S)N(CCC(=O)O)C3=O)c2)CC1 2314476666 SVTPCEKBYYDNHO-UHFFFAOYSA-N 654.792 4.179 10 10 KICE CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C(=O)O)c4)c3C)c(=O)n2[C@@H]1c1ccc(C)cc1 2185555 GLUZJZQZSIXAAM-ZGOFBEGVSA-N 555.656 4.212 10 10 KICE CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C(=O)OCC)cc4)c3C)c(=O)n2[C@H]1c1cccs1 2987305 WQUODEBJRNFRLV-SJJVXOANSA-N 575.712 4.444 10 10 KICE O=S(=O)(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cc(Br)ccc1O)N2 20696430 OACYRSBTFXIYPG-XWIDLSQFSA-N 505.434 4.439 10 10 KICE CCCCCCN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(CC)c2N2C[C@H](C)O[C@H](C)C2)SC1=S 33475297 BWYTUUZEICMGLE-QALXIQJFSA-N 502.706 4.443 10 10 KICE CCOC(=O)c1ccc(NC(=O)COc2ccc(/C=C3/SC(=S)N(C4CC4)C3=O)cc2OC)cc1 96577262 DCBOJGABPJITMN-FYJGNVAPSA-N 512.609 4.253 10 10 KICE Cc1c(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)c(N2C[C@@H](C)C[C@@H](C)C2)n(C)c(=O)c1C#N 110519630 YXKKMKJFSUGWDZ-XTAKAOOOSA-N 536.679 4.178 10 10 KICE COC(=O)c1ccc(C(=O)OC)c(N/C(C)=C2/C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)c1 205959235 PMJMSCJUAKTIGV-XQNSMLJCSA-N 514.494 4.305 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)c(OCC)c(OC)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 1083989846 ZLKCSIVQLOZNKI-DEOSSOPVSA-N 600.535 4.034 10 10 KICE Cc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H]1CCCC[C@H]1C)=C(N)O2 1864011981 OIGJPGFVHKKUEA-VNOPPTIDSA-N 506.578 4.180 10 10 KICE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CCC)CCC(=O)OCC)=C(N)O2 1865029288 JWCMKBKJOWKDJN-RUZDIDTESA-N 548.640 4.122 10 10 KICE O=C(N[C@H](Cc1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(-c2ccncc2)[nH]n1 1867162683 HBQZDQWKXUMFOX-AREMUKBSSA-N 541.567 4.227 10 10 KICE CCCC[C@@H](NC(=O)c1cc(OC)c(OC)c(OC)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867339644 NAYHNKWXRIQISE-FTJBHMTQSA-N 554.732 4.410 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCO[C@H](c5ccncc5)C4)nc(Cc4ccccc4)n3)CC2)cc1 1869077657 KJZNIBSSDXDMSU-NDEPHWFRSA-N 522.653 4.376 10 10 KICE COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CC(=O)N3CC(C)(C)c4ccc(Cl)cc4[C@@H]3C2)n1 1869123779 XYCLFSJICGLVQC-MHZLTWQESA-N 591.156 4.335 10 10 KICE CCc1nc(N2CCN(CCc3c[nH]c4ccccc34)CC2)cc(N2CCN(c3ccc(OC)cc3)CC2)n1 1869124298 AYVLPQLZGIDTKR-UHFFFAOYSA-N 525.701 4.220 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)CCOc4ccccc4)n(-c4ccc(OC)cc4)n3)CC2)cc1 1869970883 ZTNHXMCNJPSNFF-UHFFFAOYSA-N 528.613 4.019 10 10 KICE COc1cc(C=C2SC(=S)N(CC(=O)O)C2=O)cc(Br)c1OCc1cccc(F)c1 2297577714 UJTREIOSXLTACC-UHFFFAOYSA-N 512.378 4.462 10 10 KICE O=C1/C(=C/c2ccccc2)SC(=S)N1CCC(=O)N(Cc1c(F)cccc1Cl)[C@H]1CCS(=O)(=O)C1 101283038 JUZQFQKLCWPMOU-WBRURWICSA-N 553.102 4.286 10 10 KICE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)c3ccc4nc(Cc5ccccc5)[nH]c4c3)CC2)cc1 1861893052 FMEHKMMAHZTTCS-UHFFFAOYSA-N 511.626 4.020 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](CSCc3ccccc3)NC(=O)Cc3ccccc3F)CC2)cc1 1862250481 SDMHZKJYDGUUIR-MHZLTWQESA-N 521.658 4.144 10 10 KICE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC(C)C)=C(N)O2 1864012757 IOUULSVFRDUJKQ-VWLOTQADSA-N 534.657 4.229 10 10 KICE CCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC(C)C)=C(N)O2 1864021864 RIWGLDJBMFSRGF-VWLOTQADSA-N 528.609 4.235 10 10 KICE COc1ccc(N2CCN(c3cc(N(C(=O)[C@@H]4CCCN4)c4cc(C)on4)nc(Cc4ccccc4)n3)CC2)cc1 1869061664 YDWCZDQHXGCRQQ-SANMLTNESA-N 553.667 4.116 10 10 KICE CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCC[C@@H](CS(=O)(=O)c3ccccc3)C2)n1 1869124707 JUAZHJXUHGNMKY-HSZRJFAPSA-N 535.714 4.065 10 10 KICE CCc1ccc(C(=O)N=c2nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]n2-c2ccccc2Cl)cc1 1869969156 HQODISRBNRBWTP-UHFFFAOYSA-N 517.033 4.493 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc4c(c3)OCCO4)C(=O)N(C3CCN(C)CC3)C2=O)cc1 1873427670 VUZOUMCUMPEQEE-UHFFFAOYSA-N 512.610 4.152 10 10 KICE COc1ccccc1OCCOc1ccc(C=C2C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc1OC 2296055619 IKVBVDDEKXJZIE-UHFFFAOYSA-N 529.578 4.224 10 10 KICE Cc1cccc(C)c1NC(=O)CN1C(=O)C(=C2SC(=S)N(C[C@@H]3CCCO3)C2=O)c2ccccc21 2296714237 MNNBQARFECTKIA-KRWDZBQOSA-N 507.637 4.039 10 10 KICE O=C1C(=Cc2ccccc2)SC(=S)N1CCC(=O)N(Cc1c(F)cccc1Cl)[C@@H]1CCS(=O)(=O)C1 2314603333 JUZQFQKLCWPMOU-QGZVFWFLSA-N 553.102 4.286 10 10 KICE COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 100320780 BTTIWVYZDOWIIJ-UNOMPAQXSA-N 571.405 4.200 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 252675492 UEMPXDCVOLNCIE-MUUNZHRXSA-N 558.679 4.411 10 10 KICE C[C@@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3/SC(=S)N([C@H]4CCS(=O)(=O)C4)C3=O)c2)C1 1554268761 DZLLBKLAWWBQKP-SJMFAUFGSA-N 642.850 4.348 10 10 KICE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(F)cc1)=C(N)O2 1864012171 TUIRZHZDHHTQBR-XMMPIXPASA-N 534.975 4.455 10 10 KICE NC1=C(C(=O)NC2CCCC2)[C@@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(Cc3ccccc3)c2O1 1864014854 FBLAOVCUWROKKQ-IBGZPJMESA-N 514.504 4.115 10 10 KICE CC[C@@H](NC(=O)c1cc(C)n(-c2cccc(C)c2)n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866846252 VLBGCSJZNOQAKX-HSZRJFAPSA-N 506.562 4.412 10 10 KICE CC(C)(C)c1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCN(C(=O)C3CC3)CC2)n1 1868340442 DGBICEIQDLQOOO-UHFFFAOYSA-N 509.610 4.352 10 10 KICE COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCCOc4ccc(C)cc4)c(OC)c3)C2=O)cc1 2293654328 WRRRMQRZFSUVII-UHFFFAOYSA-N 502.523 4.136 10 10 KICE N=C1C(=Cc2cn(Cc3ccc(Cl)cc3)c3ccccc23)C(=O)N=C2SC(CC(=O)N3CCOCC3)=NN12 2296053623 NQTHIQLPAXJMHV-UHFFFAOYSA-N 547.040 4.211 10 10 KICE CCOC(=O)CCCN1C(=O)C(=Cc2cc(Br)c(OCC(=O)N3CCCCC3)c(OC)c2)SC1=S 2314761659 WGYLVCUDVNGVPO-UHFFFAOYSA-N 585.542 4.394 10 10 KICE CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCCOCCOc1cccc(C)c1 27531840 ZXJLIXBZIIZRLN-NCELDCMTSA-N 502.567 4.330 10 10 KICE Cc1ccc2nc(N3C[C@H](C)O[C@H](C)C3)c(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)c(=O)n2c1 33445251 OQSCBSGHMVCUER-AUZHLQGXSA-N 506.653 4.018 10 10 KICE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(NC3CCCC3)nc12 33726913 FXLQQVUGKJWYBC-CIAFOILYSA-N 520.636 4.488 10 10 KICE O=C(O)CCCN1C(=O)/C(=C\c2c(Oc3ccccc3Cl)nc3ccccn3c2=O)SC1=S 39835667 XACFCGOAEKXEDJ-FOWTUZBSSA-N 501.973 4.206 10 10 KICE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(NCCCOC(C)C)nc12 102863030 UZHJKCVABSWWEK-LPYMAVHISA-N 552.678 4.360 10 10 KICE COc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(C)=O)[C@@H](C(=O)c2ccc(OC)c(OC)c2)[C@]12C(=O)Nc1ccccc12 504391076 ZOBFHNYEIRCFPU-KJLZTZQRSA-N 524.573 4.275 10 10 KICE biogenic CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCc1ccccc1OC)[C@@H]2c1ccc(O)c(O)c1 1864016386 NTXISJSBEWHQOF-HSZRJFAPSA-N 512.566 4.001 10 10 KICE CCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCC(C)C)=C(N)O2 1864020029 UQFZANKDNHCMLV-OAQYLSRUSA-N 541.446 4.465 10 10 KICE Cc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1C)=C(N)O2 1865027583 ZILREDFYYVVHFC-WNSKOXEYSA-N 509.006 4.400 10 10 KICE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)C[C@@H](C)C1)=C(N)O2 1865028403 UFWDUUNPASWGOQ-WBPRFABPSA-N 509.006 4.444 10 10 KICE CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1ccccc1F 1865073211 DTGHVBOLEXYYAX-XMMPIXPASA-N 519.621 4.047 10 10 KICE Cc1ccc(-c2cc(C(=O)N[C@H](C)C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)nn2C)cc1C 1866827005 WGIOMURFEVPYNK-GOSISDBHSA-N 506.562 4.236 10 10 KICE C[C@@H](NC(=O)CCN(Cc1ccccn1)C(=O)OC(C)(C)C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867078377 QWFVOHVOOZJECT-LJQANCHMSA-N 556.619 4.128 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)Cc3nc(-c4ccc(F)cc4)oc3C)CC2)cc1 1868642140 LOZSQSLOIJUFCQ-GDLZYMKVSA-N 556.638 4.417 10 10 KICE CCC[C@H](NC(=O)Cc1nc(-c2ccccc2Cl)oc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868646657 UZGMDPZIMJPAPG-DEOSSOPVSA-N 525.049 4.488 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)c3cc(C)n(-c4ccccc4F)n3)CC2)cc1 1868987663 GITQOUDHVMDNAO-NDEPHWFRSA-N 559.617 4.157 10 10 KICE COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCC[C@@H](Oc3ccccc3)C2)n1 1869122445 JIVUEQGCYHAQTO-AREMUKBSSA-N 503.647 4.049 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)c4ccccc4Br)n(C(C)(C)C)n3)CC2)cc1 1869970100 FKPXZSZOYLDUNH-UHFFFAOYSA-N 513.440 4.383 10 10 KICE O=C(O)CCN1C(=O)C(=C2C(=O)N(Cc3ccccc3)c3ccc(Br)cc32)SC1=S 2296538534 WFFWLSYVMGOWTN-UHFFFAOYSA-N 503.399 4.042 10 10 KICE C[C@H](C(=O)O)N1C(=O)C(=Cc2cc(Br)ccc2OCC(=O)Nc2ccc(F)cc2)SC1=S 2314397513 TWHKFRFGRQCNNS-LLVKDONJSA-N 539.404 4.280 10 10 KICE CCOC(=O)[C@@H](c1ccccc1)N1C(=O)C(=C2C(=O)Nc3ccc(Br)cc32)SC1=S 2314767933 JBKNSTCUQWTKLQ-MRXNPFEDSA-N 503.399 4.277 10 10 KICE C[C@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3\SC(=S)N([C@H]4CCS(=O)(=O)C4)C3=O)c2)C1 256024825 DZLLBKLAWWBQKP-WTELKQMGSA-N 642.850 4.348 10 10 KICE COC(=O)c1ccc(C(=O)OC)c(N=N[C@@H](C(C)=O)C(=O)Nc2ccc(NC(=O)[C@H](N=Nc3cc(C(=O)OC)ccc3C(=O)OC)C(C)=O)cc2)c1 606509427 BZKXDIAAIOXKAH-HNRBIFIRSA-N 716.660 4.193 10 10 KICE Cc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCc1ccccc1)=C(N)O2 1864009902 MXENKGJAROLWFY-AREMUKBSSA-N 528.584 4.234 10 10 KICE Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCc1ccc(Cl)cc1)[C@H]2c1ccc(O)c(O)c1 1864015490 ANDSHPZQKQMCKY-NRFANRHFSA-N 502.958 4.163 10 10 KICE COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N(C)C2CCCCC2)[C@H]3c2ccc(O)c(O)c2)cc1 1865028094 PIHLBDSMSYILTN-DEOSSOPVSA-N 504.587 4.086 10 10 KICE CCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)C[C@@H](C)C1)=C(N)O2 1865032962 OTRGYSPUIYHLDE-OJLQRUNKSA-N 518.614 4.054 10 10 KICE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)c3n[nH]c4c3CCCC4)cccc21 1866850831 YMDYYSXNZHWCAK-RUZDIDTESA-N 536.563 4.183 10 10 KICE COc1cc(OC)cc(C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867391555 QAOBIENYMYKCIH-JSOSNVBQSA-N 574.722 4.160 10 10 KICE COc1ccc(N2CCN(c3nc(=NC(=O)c4ccc5cc(Cl)ccc5n4)n(C(C)(C)C)[nH]3)CC2)cc1 1869970766 PQOJOXNCJQVEGB-UHFFFAOYSA-N 520.037 4.244 10 10 KICE CCN(CC)CCn1cc(OCc2cccc(F)c2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870615861 WXPAKSIJJCHUBI-UHFFFAOYSA-N 522.665 4.239 10 10 KICE COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)NCCc1c[nH]c2ccc(OC)cc12 2294317184 NZXPVWLSLOPFPN-UHFFFAOYSA-N 503.584 4.158 10 10 KICE COc1ccc(OCCOc2ccc(C=C3C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2OC)cc1 2297468548 CRKMPLULNHMWNX-UHFFFAOYSA-N 529.578 4.224 10 10 KICE O=C(CN1C(=O)C(=Cc2ccccc2)SC1=S)Nc1sc2c(c1C(=O)NCc1cccnc1)CCC2 2314603396 ZUFXPUMBMUVWEX-UHFFFAOYSA-N 534.688 4.402 10 10 KICE COCCNc1nc2ccc(C)cn2c(=O)c1/C=C1/SC(=S)N(Cc2ccccc2Cl)C1=O 33795988 HNZNXMVYNYTPMM-WOJGMQOQSA-N 501.033 4.116 10 10 KICE O=C(CN1C(=O)/C(=C2/SC(=S)N(C[C@H]3CCCO3)C2=O)c2ccccc21)Nc1cccc(C(F)(F)F)c1 102677980 VMQHYGYWHNLFQA-FVGNFYTDSA-N 547.580 4.441 10 10 KICE COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(C(C)(C)C)cc3)C2=O)ccc1OCCC(=O)O 210447220 AJWPCJSYLUMPGL-ZHZULCJRSA-N 514.625 4.392 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 1084275502 ATNQJBYFKLZUJN-MUUNZHRXSA-N 629.651 4.473 10 10 KICE CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCc1ccccc1)=C(N)O2 1864014011 LLCZQODICVDXOZ-SANMLTNESA-N 539.636 4.465 10 10 KICE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccnc1)=C(N)O2 1864019186 WAIQEBDKNCWYQN-HSZRJFAPSA-N 549.990 4.104 10 10 KICE CCc1nn(CC(C)C)c2c1[C@H](c1ccccc1C)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865664046 YXDDQNTUAHCFKL-SANMLTNESA-N 529.685 4.462 10 10 KICE CCC[C@@H](NC(=O)c1ccc(F)c(F)c1F)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867808603 BXKLBIIQZKKMQU-PKTZIBPZSA-N 504.597 4.412 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)Cc4ccccc4)n(-c4ccc(Cl)cc4)n3)CC2)cc1 1869970239 GJAWWDYAPAMIQB-UHFFFAOYSA-N 503.006 4.437 10 10 KICE COC(=O)C1CCC(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCOC(C)C)C2=O)CC1 1873170578 GFZOIMWEYGVIPA-UHFFFAOYSA-N 521.658 4.168 10 10 KICE COc1ccc(C=C2C(=O)NC(=S)N(c3ccccc3OC)C2=O)cc1COc1ccc(NC(C)=O)cc1 2295934213 HUWAKLCVVJXFOM-UHFFFAOYSA-N 531.590 4.073 10 10 KICE O=C1C(=Cc2c(NC[C@H]3CCCO3)nc3ccccn3c2=O)SC(=S)N1CCCc1ccccc1 2297460078 HMXMTTCZJKRXIG-LJQANCHMSA-N 506.653 4.119 10 10 KICE COc1cc(C=C2C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1OCC(=O)Nc1ccc(F)cc1 2313556270 UBBHGSUDGBMYAP-UHFFFAOYSA-N 612.364 4.009 10 10 KICE O=C(O)C[C@H](C(=O)O)N1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)SC1=S 2425028 CJXFLYOLLOBLEA-HJSBDDGSSA-N 513.984 4.322 10 10 KICE Cc1c(N2C(=O)/C(=C/c3c(NCCCOC(C)C)nc4ccccn4c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C 110553051 VTSOSRHPDZXQTN-XLNRJJMWSA-N 590.731 4.125 10 10 KICE CCCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCC1)=C(N)O2 1864013538 YAFKZGCHNISRTP-HSZRJFAPSA-N 506.578 4.188 10 10 KICE CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(C)cc1)=C(N)O2 1864017703 SBOATPFKDSVNMH-VWLOTQADSA-N 510.594 4.474 10 10 KICE CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H]1CCCC[C@@H]1C)=C(N)O2 1864018432 LAEKMTUSIXOKNT-FBOFTVOISA-N 520.605 4.434 10 10 KICE CCCOc1cccc([C@H]2C(C(=O)N3CCN(c4ccc(OC)cc4)CC3)=C(N)Oc3c2c(CCC)nn3C)c1 1865264496 MQVCEDHHYGEGOE-AREMUKBSSA-N 545.684 4.213 10 10 KICE CC[C@@H](NC(=O)c1cc(N2CCCCS2(=O)=O)ccc1Cl)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866632571 XGOOZVPUDGRIEA-HSZRJFAPSA-N 580.062 4.193 10 10 KICE CC(C)C[C@H](C(=O)O)N1C(=O)c2ccc(C(=O)N[C@H](Cc3ccc(O)cc3)C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O 1867470441 STUPHYJNUARYFL-CKOYEXALSA-N 697.833 4.238 10 10 KICE CN(C)c1ccc([C@H](CNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)c2ccc3c(c2)C(=O)N([C@H](Cc2ccccc2)C(=O)O)C3=O)N2CCCCC2)cc1 1867627395 HSNYBDQYCBEUHI-RQOYOAKWSA-N 731.850 4.435 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)Cc3ccc4nc(O)c(C)cc4c3)CC2)cc1 1868808817 KFQHEQIXVVWFNE-LJAQVGFWSA-N 556.638 4.015 10 10 KICE COc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C[C@@H]3CCCO3)C2=O)c(OC)c1 1873419656 OEKSWDBHQKEPDH-QHCPKHFHSA-N 501.583 4.482 10 10 KICE CC[C@H](C)N1C(=O)C(=Cc2c(N3CCN(c4ccc(F)cc4)CC3)nc3c(C)cccn3c2=O)SC1=S 2296732300 SLLRVAWQRYIOLL-SFHVURJKSA-N 537.686 4.468 10 10 KICE COc1ccccc1OCCn1cc(C=C2C(=O)N(C)c3ccc(S(=O)(=O)N4CCOCC4)cc32)c2ccccc21 2297508837 PBPQYMSXQWWGBP-UHFFFAOYSA-N 573.671 4.267 10 10 KICE O=C(CCCN1C(=O)/C(=C\c2ccccc2OC(F)F)SC1=S)Nc1cc(C(=O)O)ccc1C(=O)O 210969072 SRBJQABTBWBFAH-GZTJUZNOSA-N 536.534 4.305 10 10 KICE CCc1cccc(CC)c1N1C(=O)[C@@H]2[C@H](c3ccc(N(C)C)cc3)N[C@](Cc3ccc([N+](=O)[O-])cc3)(C(=O)O)[C@@H]2C1=O 248015007 CRSOHDJFGBFGHA-UCDUTVGFSA-N 570.646 4.302 10 10 KICE CO[C@@H]1O[C@H](CN=[N+]=[N-])[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 607701841 LSKICROOUPISTF-STSWTCBMSA-N 531.521 4.345 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)C(c3ccccc3)c3ccccc3)CC2)cc1 1862121029 JCQORNNNBNUJKA-SANMLTNESA-N 501.652 4.077 10 10 KICE CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCc1ccccc1)=C(N)O2 1864013779 GAXSQBQADXRLIP-XMMPIXPASA-N 504.631 4.491 10 10 KICE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C)CC1)=C(N)O2 1865030385 IUZCBOOMNVUELT-XMMPIXPASA-N 520.605 4.387 10 10 KICE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H]3CC(=O)N(c4ccccc4)C3)cccc21 1866877321 HGWVGZQUCPTWNZ-DWACAAAGSA-N 557.606 4.181 10 10 KICE CCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N([C@H](Cc1ccccc1)C(=O)O)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867629988 QWWWMGQMEYJANH-DSPMFFIESA-N 667.807 4.286 10 10 KICE CC(=O)Oc1ccc(C[C@@H](NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867696911 LYEJZLZZUAKBKH-VSJLXWSYSA-N 740.323 4.037 10 10 KICE CC[C@](C)(NC(=O)CCC(=O)N1CCC[C@@H]1c1nc2ccccc2s1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868893854 HQQCIEAXTSMQGV-NJHZRGNWSA-N 577.751 4.382 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)C3(c4ccc(N)cc4)CCCCC3)CC2)cc1 1868930862 FAKSCQZRZWAIDX-PMERELPUSA-N 556.707 4.261 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)c3n[nH]c(C)c3-c3ccccc3)CC2)cc1 1869066374 UGAZKXONTKWPSI-MHZLTWQESA-N 523.637 4.084 10 10 KICE CCCCn1cc(OCC(=O)Nc2ccccc2F)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870755852 XLQHTWXQNFOYSV-UHFFFAOYSA-N 522.621 4.136 10 10 KICE CC1CCN(C(=O)COc2cn(C[C@H](C)O)c(CNc3ccc(Nc4ccccc4)cc3)cc2=O)CC1 1870929272 OJMFBPWHAGWOBH-QFIPXVFZSA-N 504.631 4.222 10 10 KICE COc1cc(C=C2C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(Br)c1OCC(N)=O 2297460650 HULZABRTPFNDRY-UHFFFAOYSA-N 506.356 4.156 10 10 KICE CCOc1cc(/C=C2\C(=N)N3N=C(C)SC3=NC2=O)ccc1OCCOc1ccc(NC(C)=O)cc1 20235153 HCKYMEQHKUALOK-FEGZGKEQSA-N 507.572 4.141 10 10 KICE Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1/C=C1/C(=O)NC(=O)N([C@H](C)C23CC4CC(CC(C4)C2)C3)C1=O 34258827 RDFLIWZJKKGHBZ-RLIAXZEXSA-N 517.586 4.464 10 10 KICE CCCCOC(=O)CCCN1C(=O)/C(=C2/SC(=S)N(CCCC(=O)OCCCC)C2=O)SC1=S 103925077 WKFAYNMFGPXVRK-ZCXUNETKSA-N 546.758 4.166 10 10 KICE O=C1[C@H]2[C@H](c3ccc(Br)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccccc1[N+](=O)[O-] 105487198 ZDAIVGQOPILOPN-HKBOAZHASA-N 547.317 4.052 10 10 KICE Cc1ccc2nc(NC[C@@H](O)c3ccccc3)c(/C=C3\SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(=O)n2c1 110555839 BJRJCSKEPWCENM-TWBKXSQYSA-N 624.748 4.352 10 10 KICE O=C(Cn1cc(/C=C2/C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c2ccccc21)Nc1ccc(Cl)cc1 1084400577 KQSKCQLXVUKWCN-NHDPSOOVSA-N 542.935 4.329 10 10 KICE CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)CC2)cc1 1858625597 UKFLGCQMLOENQV-UHFFFAOYSA-N 531.634 4.298 10 10 KICE Cc1cc(C(=O)N[C@H](CSCc2ccccc2)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)n[nH]1 1866836848 ZXBZKZBARXYUEC-XMMPIXPASA-N 524.602 4.164 10 10 KICE COc1ccc([C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCN(c3ccc(OC)cc3)CC2)C(C)C)cc1 1868858302 WJHBNQCCKCIOQS-KYJUHHDHSA-N 545.680 4.225 10 10 KICE COc1ccc(-c2csc(CCC(=O)NC(C)(C)C(=O)N3CCN(c4ccc(OC)cc4)CC3)n2)cc1 1868914933 VYQQGMGTKKQETR-UHFFFAOYSA-N 522.671 4.004 10 10 KICE CCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2ccc(Cl)c(Cl)c2)[nH]1 1871484865 RJPQEHPXCMGWJB-UHFFFAOYSA-N 502.450 4.313 10 10 KICE CCN(CC)CCCN1C(=O)C(NCCCCN2CCCC2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873167473 IZXXVNVYEVEBPD-UHFFFAOYSA-N 519.734 4.372 10 10 KICE COc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCc3cnc[nH]3)C2=O)cc1[N+](=O)[O-] 1873425749 FKFFFQIEPKUFJX-UHFFFAOYSA-N 526.553 4.169 10 10 KICE COC(=O)C1CCC(CNC(=O)CCn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@H]32)CC1 2297718174 XIIZZJDPCZJUOA-KRGKPIPQSA-N 528.653 4.274 10 10 KICE CCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2N2CCN(c3ccc(F)cc3)CC2)SC1=S 39989867 QXHAVGGOEFSVCT-JCMHNJIXSA-N 525.675 4.125 10 10 KICE O=C1/C(=C\c2cccs2)SC(=S)N1CCC(=O)N(Cc1ccc(N2CCCCC2)o1)[C@@H]1CCS(=O)(=O)C1 207307683 KDGZIEVMVNHVDM-ISPGYRLHSA-N 579.791 4.139 10 10 KICE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(F)cc1)=C(N)O2 1864007280 JQAAYKYCFIOERT-DEOSSOPVSA-N 534.975 4.438 10 10 KICE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1)=C(N)O2 1864013427 WVFRHGHQVRPKGX-VWLOTQADSA-N 528.584 4.445 10 10 KICE CCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(F)c2)[C@H]1c1ccc(O)c(O)c1 1864014956 HAXYTQLHDQXPOH-GOSISDBHSA-N 520.483 4.111 10 10 KICE CCCN(CCC)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccn2)[C@@H]1c1ccc(O)c(O)c1 1865033767 HUJDJJMHONLCAY-SFHVURJKSA-N 517.508 4.041 10 10 KICE CN(C)c1ccc([C@H](CNC(=O)[C@@H](NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c2ccccc2)N2CCCCC2)cc1 1867694863 VCTAKDGWKRLGBJ-ACHIHNKUSA-N 668.260 4.241 10 10 KICE CCOc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCNC(C)=O)C2=O)cc1OCC 1873422299 PQNUKAORUONGET-UHFFFAOYSA-N 530.625 4.220 10 10 KICE Cn1cc(CCNC(=O)Cn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)c2ccccc21 1873971935 VVECOKADSDTQBX-UHFFFAOYSA-N 501.590 4.425 10 10 KICE CCCn1c(N2C[C@H](C)O[C@@H](C)C2)c(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c(C)c(C#N)c1=O 39990267 NIDGNAGVLCLUEO-PQZXLFSKSA-N 512.657 4.046 10 10 KICE Cc1ccsc1CN(C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S)[C@H]1CCS(=O)(=O)C1 207324747 SZOLFGXGTPAOKL-IQFISFIMSA-N 540.779 4.315 10 10 KICE COC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC)c(COc4ccccc4C)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 252669045 GHFXXMMRISHFJL-PMERELPUSA-N 583.710 4.370 10 10 KICE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccccc1OCc1ccc(C(=O)O)cc1 1084230722 ARRJOGNOLCYNGI-MOSHPQCFSA-N 521.323 4.393 10 10 KICE Cc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccncc1)=C(N)O2 1864009786 DMMXASCGVGBZSX-AREMUKBSSA-N 519.561 4.151 10 10 KICE Cc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCCC1)=C(N)O2 1864010938 BZWGJFKBLNHYDQ-XMMPIXPASA-N 506.578 4.324 10 10 KICE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)NCCCc2ccccc2)[C@@H]3c2ccc(O)c(O)c2)cc1 1864012424 ZORNTASUFAJZQB-HHHXNRCGSA-N 524.621 4.403 10 10 KICE COc1ccc(-c2nn(C)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)N[C@@H](C)c2ccc(OC)cc2)=C(N)O3)cc1 1864021708 FUAGNMOLRFDFBK-FYSMJZIKSA-N 542.592 4.088 10 10 KICE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(-c5ccccc5)nn4C)[C@@H]3c3ccccc3)CC2)cc1 1865019057 KPJDKJXQYPTHJC-VWLOTQADSA-N 521.621 4.139 10 10 KICE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCOc3ccccc31)[C@H]2c1ccc(O)c(O)c1 1865031413 GITVCOIIKYFQTC-QHCPKHFHSA-N 510.550 4.101 10 10 KICE CCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C)C1)=C(N)O2 1865032323 AGJLZXDVRAQVNB-KOSHJBKYSA-N 502.615 4.167 10 10 KICE CN(C)c1ccc([C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)OCc2ccccc2)c2nccn2C)cc1 1865994301 SAAHGYQEYNWWCI-SXOMAYOGSA-N 511.626 4.229 10 10 KICE CCOc1ccc(/C=C/C(=O)Nc2nc(N3CCN(c4ccc(OC)cc4)CC3)nn2C(C)(C)C)cc1 1869970451 JLWNISUKUZAQDA-CXUHLZMHSA-N 504.635 4.419 10 10 KICE CCCCC[C@@H](CC)NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCN2CCOCC2)C1=O 1873167102 SAFHLRIIOFZBMX-RUZDIDTESA-N 506.691 4.455 10 10 KICE Cc1cccc(-n2c(C)cc(C=C3C(=O)N(C)c4ccc(S(=O)(=O)N5CCOCC5)cc43)c2C)c1C 2297508858 RWDLRCLSSWTVFD-UHFFFAOYSA-N 505.640 4.249 10 10 KICE O=C(O)COc1ccc(C=C2SC(=S)N(NC(=O)COc3cc(Cl)c(Cl)cc3Cl)C2=O)cc1 2314397453 OJXUMBBWPJMLBV-UHFFFAOYSA-N 547.825 4.422 10 10 KICE CCOC(=O)c1ccc(NC(=O)COc2ccc(Br)cc2/C=C2\SC(=S)NC2=O)cc1 101979500 HWXASRCWPPFHOZ-YVLHZVERSA-N 521.414 4.132 10 10 KICE Cc1cc(N2C(=O)NC(=O)/C(=C\c3cc([N+](=O)[O-])ccc3N3CCCCC3)C2=O)ccc1Br 1084026529 SJCAQRRBLVEFRR-QGOAFFKASA-N 513.348 4.322 10 10 KICE O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(I)c1 1084331580 IAYPKTNMHBDNAR-NVMNQCDNSA-N 613.320 4.174 10 10 KICE Cc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H]1CCCC[C@@H]1C)=C(N)O2 1864011960 NUCJPKHCJDWPHD-CCQPRUGESA-N 506.578 4.180 10 10 KICE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC(C)C)=C(N)O2 1864012756 IOUULSVFRDUJKQ-RUZDIDTESA-N 534.657 4.229 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)c3nc(C(C)(C)C)n4ccccc34)CC2)cc1 1868789965 LWMJXNNLRDLFFZ-SANMLTNESA-N 555.679 4.036 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)CCc4ccccc4C)n(-c4ccc(OC)cc4)n3)CC2)cc1 1869969944 KEDIULYOAWLGBR-UHFFFAOYSA-N 526.641 4.491 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCCCn3ccnc3)C(=O)N(CCc3ccc(F)cc3)C2=O)cc1 1873167968 FAYLXPCICPMYSQ-UHFFFAOYSA-N 511.601 4.432 10 10 KICE CCCCCCN1C(=O)C(=Cc2ccc(OC)c(COc3ccc(NC(C)=O)cc3)c2)C(=O)NC1=S 2296099108 QQSZBJRJTSFJIJ-UHFFFAOYSA-N 509.628 4.440 10 10 KICE Cc1cccn2c(=O)c(C=C3SC(=S)N([C@H]4CCS(=O)(=O)C4)C3=O)c(Oc3ccc(Cl)cc3Cl)nc12 2314509745 YIKCTIUYLRQZAN-AWEZNQCLSA-N 582.512 4.490 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)C=C4CCc5ccc(OC)cc54)n(C(C)(C)C)n3)CC2)cc1 2331396771 BVWNLTOQXXYXKJ-UHFFFAOYSA-N 516.646 4.345 10 10 KICE COC(=O)[C@@H]1[C@@H](c2ccc(OC)c(OC)c2OC)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12 2159001 PCOLEOKCAUWMCO-SDHSZQHLSA-N 525.557 4.319 10 10 KICE biogenic CCOc1cc(/C=C2\C(=N)N3N=C(S(=O)(=O)CC)SC3=NC2=O)ccc1O[C@@H](C)c1ccccc1 20208181 OUECNPFFKXDSID-HBFLSEMUSA-N 512.613 4.237 10 10 KICE CCOC(=O)c1ccc(N2C(=O)C[C@H](N3C(=O)/C(=C\c4ccc(Cl)cc4)SC3=S)C2=O)cc1 33586870 FUHIUOJBVQGWJX-SZLZGVTBSA-N 500.985 4.050 10 10 KICE NC(=O)C1CCN(c2nc3ccccc3cc2/C=C2\SC(=S)N(CCc3ccccc3)C2=O)CC1 38732788 WYXOIAWRUUAYRD-QJOMJCCJSA-N 502.665 4.380 10 10 KICE COc1c(/C=C2/C(=O)N=C(O)N(c3ccc(Cl)cc3)C2=O)c(CCN(C)C(=S)NCc2ccccc2)cc2c1OCO2 103094076 NGLGEKGMXHLJKY-HAHDFKILSA-N 607.088 4.497 10 10 KICE COc1c(I)cc(C=C2C(=O)OC(c3ccccc3)OC2=O)cc1I 103841648 WABYWWNLBCJBCM-UHFFFAOYSA-N 562.097 4.087 10 10 KICE COc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc(Cl)c1OCc1ccc(Cl)cc1 104558829 IGXIWZNBVHFXQJ-KHHNAJNHSA-N 539.422 4.202 10 10 KICE CCCn1c(NCc2ccc3c(c2)OCO3)c(/C=C2\SC(=S)N(CCCOCC)C2=O)c(C)c(C#N)c1=O 143312835 UADKMIVDEPREAW-QRVIBDJDSA-N 554.694 4.407 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)c(N(CC)CC)cc3OC)c(=O)n2[C@@H]1c1cc(OC)ccc1OC 252671146 MVGGCDAOSMQIQZ-HHHXNRCGSA-N 644.588 4.433 10 10 KICE CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1 725442959 KQCDMSRADDCNMJ-NDEPHWFRSA-N 539.657 4.010 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)CCCOc3cc(C)c(Cl)c(C)c3)CC2)cc1 1862225806 WFWVENFGZPWKCS-RUZDIDTESA-N 514.066 4.464 10 10 KICE CCCCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccn2)[C@@H]1c1ccc(O)c(O)c1 1864016515 QYDGIEBOGJKHNA-QHCPKHFHSA-N 511.582 4.347 10 10 KICE CCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC(c1ccccc1)c1ccccc1)=C(N)O2 1864020525 DCNXBKLCXTXRBW-XMMPIXPASA-N 510.594 4.477 10 10 KICE CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1C)=C(N)O2 1865035310 QLBLSAPPLHYIFW-HJPURHCSSA-N 506.578 4.140 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)C3(c4ccc(N)cc4)CCCCC3)CC2)cc1 1868932511 PUHFFIJWNHBWDX-SANMLTNESA-N 524.731 4.066 10 10 KICE COc1ccc(N2CCN(C(=O)c3cc4c(NCc5ccc(O)cc5)ncnc4n3CC(C)C)CC2)cc1 1875208969 CWPUHKWQWNFGPN-UHFFFAOYSA-N 514.630 4.376 10 10 KICE CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccc(C(=O)O)cc4)cc3)C2=O)c1 2313556494 AWOSFRXEBIAQHZ-UHFFFAOYSA-N 530.533 4.428 10 10 KICE CCOCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2N2CCN(c3ccccc3F)CC2)SC1=S 110523144 IDFZXLVPCRKMAX-ULJHMMPZSA-N 569.728 4.142 10 10 KICE CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OC)c(Br)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 164103675 PBTNQMODYIBBRI-IMEWXKHHSA-N 635.378 4.398 10 10 KICE Cc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCc1ccccc1)=C(N)O2 1864010714 BCMBKUGZBWXDSW-AREMUKBSSA-N 528.584 4.234 10 10 KICE CCCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC(C)C)=C(N)O2 1864012805 JOSFYGGUCOPOBR-XMMPIXPASA-N 538.620 4.060 10 10 KICE CCCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1864018115 CUBKSKVLRXCRJH-HXUWFJFHSA-N 517.413 4.433 10 10 KICE C[C@@H]1CCCCN1C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccn2)[C@H]1c1ccc(O)c(O)c1 1865032200 XTBGIYOLQRIAFA-HOYKHHGWSA-N 523.593 4.441 10 10 KICE CCCOc1ccccc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCNC(C)=O)C1=O 1873422081 FRGJSYOCKJZTDL-UHFFFAOYSA-N 500.599 4.211 10 10 KICE Cc1nn2c(=O)cc(COc3ccc(C=C4C(=N)N5N=C(C6CCCCC6)SC5=NC4=O)cc3)nc2s1 2297350786 UDZQWZQFJSFUPC-UHFFFAOYSA-N 533.639 4.238 10 10 KICE CN1C(=O)C(=Cc2cn(CC(=O)N3CCCc4ccccc43)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 2297508762 HLTVWASNVORRND-UHFFFAOYSA-N 596.709 4.159 10 10 KICE COC(=O)c1ccc(NCN2C(=O)/C(=C\c3ccc(I)cc3)SC2=S)cc1 33349409 NLUDGBBWTFYJBP-MHWRWJLKSA-N 510.378 4.349 10 10 KICE Nc1cc(OCCc2ccccc2)c(N)c2c1C(=O)c1c(N)c(OCCc3ccccc3)cc(N)c1C2=O 59301106 LJRXFFPNNBNTBI-UHFFFAOYSA-N 508.578 4.034 10 10 KICE C[C@@H](C(=O)NCCCCCC(=O)O)N1C(=O)/C(=C/c2cc(Br)cc(Br)c2O)SC1=S 101972021 TVDDIVKJKYXJJX-WULZRQGASA-N 580.320 4.268 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](CSCc3ccccc3)NC(=O)c3ccccc3C)CC2)cc1 1861921656 HPHLTUXNDMELLF-HHHXNRCGSA-N 503.668 4.384 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)c3ccccc3C(F)(F)F)CC2)cc1 1861924438 HWZXQPSBITVYGZ-RUZDIDTESA-N 511.544 4.404 10 10 KICE CCCn1nc(C)c2c1OC(N)=C(C(=O)NCc1ccccc1OC(C)(C)C)[C@H]2c1ccc(O)c(O)c1 1864009873 MLHMYAYXJHEEBO-QHCPKHFHSA-N 506.603 4.201 10 10 KICE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCC1)=C(N)O2 1864019071 VKHVJGVKXJJXBR-QFIPXVFZSA-N 509.006 4.312 10 10 KICE CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCc1ccccc1)=C(N)O2 1864021574 PYPFASFMQKZJBM-DEOSSOPVSA-N 504.631 4.346 10 10 KICE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1ccc(F)cc1 1865522619 URWUTLRGTZWNHK-HXUWFJFHSA-N 545.537 4.113 10 10 KICE CN(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1 1866698716 QQLWSYBTCDWOEW-LMSSTIIKSA-N 531.612 4.431 10 10 KICE CC[C@](C)(NC(=O)c1ccc2c(c1)C(=O)N([C@H](CC(C)C)C(=O)O)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867476186 GYDYGDGJNCHOJV-SUZFKMQNSA-N 633.790 4.090 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)C[C@H](c3ccc(F)cc3)c3ccc(OC)c(OC)c3)CC2)cc1 1869020290 ZNULORDNQYKFHA-KDYSTLNUSA-N 549.643 4.227 10 10 KICE CCCn1cc(OCC(=O)NCCN(CC)CC)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870975485 VTPRSWQLGUVTCA-UHFFFAOYSA-N 505.663 4.451 10 10 KICE CCOCCCN1C(=O)C(Nc2ccccc2S(C)(=O)=O)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873425837 NKLVTJZLNKPHEE-UHFFFAOYSA-N 521.639 4.116 10 10 KICE CC(C)CCN1C(=O)C(=Cc2c(N3CCN(c4ccccc4)CC3)nc3ccccn3c2=O)SC1=S 2296208166 KBBZMMWKCHOUPP-UHFFFAOYSA-N 519.696 4.268 10 10 KICE CCOc1cc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc(Cl)c1OCc1ccccc1F 2297346028 XRNCIIJFBQAFQN-UHFFFAOYSA-N 536.994 4.078 10 10 KICE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCc4ccc(F)cc4)c(Cl)c3)C(=N)N21 20206844 FIGQEZZNKOSKBM-VBPVLXCYSA-N 506.968 4.069 10 10 KICE O=C(CN1C(=O)/C(=C2/SC(=S)N(C[C@H]3CCCO3)C2=O)c2ccccc21)Nc1ccccc1Cl 33573904 NBIMCWASKXKSCI-YYZBOFOMSA-N 514.028 4.076 10 10 KICE CCN(CC)c1ccc(CN(CCOC)C(=O)CC(C)C)c(OS(=O)(=O)c2ccc(OC)cc2)c1 37423990 MWKFNVVQMPFNRR-UHFFFAOYSA-N 506.665 4.330 10 10 KICE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CC(C)C)C3=O)c(NCc3ccc4c(c3)OCO4)nc12 39983152 VDIGEUWYHBPUPN-KEBDBYFISA-N 508.625 4.201 10 10 KICE Cc1c(N2C(=O)/C(=C\c3c(N4C[C@@H](C)C[C@H](C)C4)nc4ccccn4c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C 100885940 PHSRBAIZOJWDLY-RAOITJNQSA-N 586.743 4.380 10 10 KICE CCOc1cc(/C=C2/SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)ccc1OC(=O)/C=C\c1ccc(OC)cc1 102678094 BSFNKMDLAOQRDI-HTIQLRKGSA-N 559.687 4.101 10 10 KICE COc1ccc(N2CCN(C(=O)c3c(Br)c(OC)c(OC)c(OC)c3Br)CC2)cc1 1866304132 ZBURONRHEZCZLE-UHFFFAOYSA-N 544.240 4.208 10 10 KICE Cc1ccc(C)c(OCCOc2ccc(C=C3C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)C(C)C)cc2)c1 2297345784 BPUSBMCKQQREQA-UHFFFAOYSA-N 526.640 4.161 10 10 KICE COC(=O)c1ccc(C(=O)OC)c(NC(C)=C2C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccc(OC)cc2)c1 2313683568 FDWDFHCEGWWQNC-UHFFFAOYSA-N 544.520 4.314 10 10 KICE CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OCCOc1ccc([N+](=O)[O-])cc1 100229248 ITYCKYFJUCQUDO-XQNSMLJCSA-N 531.521 4.426 10 10 KICE CCOC(=O)CCCN1C(=O)/C(=C\c2cc(Br)c(OCC(=O)N(CC)CC)c(OC)c2)SC1=S 101742569 KIAYBEWEHMMEAH-QGOAFFKASA-N 573.531 4.249 10 10 KICE C[C@@H](O)[C@@H](C(=O)O)N1C(=O)/C(=C\c2cn(CCOc3ccc(Cl)cc3)c3ccccc23)SC1=S 1858595514 BXKQZEBBEMYYJH-YFGSJMCXSA-N 517.028 4.409 10 10 KICE Cc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)c1ccc3c(c1)CCCC3)=C(N)O2 1864009487 IGJVYTYVDNVCFU-XGCWNURASA-N 537.620 4.438 10 10 KICE CCCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2Cc2ccccc2F)[C@@H]1c1ccc(O)c(O)c1 1864013295 VIUWCYVWUUSMAZ-QHCPKHFHSA-N 508.594 4.435 10 10 KICE COc1ccc(-c2nn(C)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)NCc2cccc(Cl)c2)=C(N)O3)cc1 1864021467 CCNBPGKGGVNOTN-JOCHJYFZSA-N 532.984 4.171 10 10 KICE CSCC[C@@H](NC(=O)CCc1ccccc1F)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866597967 VSGBIEBKLWIIPG-HSZRJFAPSA-N 504.583 4.410 10 10 KICE CN(C)c1ccc([C@@H](CNC(=O)c2ccc3c(c2)C(=O)N([C@H](Cc2ccccc2)C(=O)O)C3=O)N2CCCCC2)cc1 1868025472 QJNSZJXFFHTYLC-FQLXRVMXSA-N 568.674 4.002 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)c3cc(-c4ccc(F)c(F)c4)[nH]n3)CC2)cc1 1868934280 DZCKCIPVMKYZGV-MUUNZHRXSA-N 545.590 4.053 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](CSCc3ccccc3)NC(=O)c3cc(-c4cccnc4)on3)CC2)cc1 1868982362 FTQDAHGHVLPMFO-HHHXNRCGSA-N 557.676 4.126 10 10 KICE COc1ccc(N2CCN(c3nc(=NCCC(C)C)[nH]c(=Nc4ccc(F)c(Cl)c4)[nH]3)CC2)cc1 1871652509 BDJKWWYMXXNIFT-UHFFFAOYSA-N 500.022 4.045 10 10 KICE CCOC(=O)c1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCN3CCOCC3)C2=O)cc1 1873425542 DOWADQHDEGRRCM-UHFFFAOYSA-N 556.663 4.185 10 10 KICE COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3C)C2=O)cc(I)c1OC 103814582 RRVUTUSHCLJIQK-NTUHNPAUSA-N 585.192 4.354 10 10 KICE CCCCn1c(N2CCN(Cc3ccccc3)CC2)c(/C=C2\SC(=S)N(CCCOC)C2=O)c(C)c(C#N)c1=O 110529520 XPLUTCZVLYMQRR-XHPQRKPJSA-N 579.792 4.388 10 10 KICE COc1ccc(CCN2C(=O)/C(=C/c3c(C)c(C#N)c(=O)n(C)c3N3CCN(c4ccccc4F)CC3)SC2=S)cc1OC 150650723 GIWOTRCSAQURFP-VEILYXNESA-N 633.771 4.492 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@@H]1c1cccs1 1084510160 BNXTZRMGIOZPQP-XMMPIXPASA-N 521.639 4.406 10 10 KICE CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C/c3cc(Br)c(OCC(=O)OC)c(I)c3)C2=O)c1 1084569734 YVAPPUAEESUHQU-NVNXTCNLSA-N 673.254 4.069 10 10 KICE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCc1ccc(OC)c(OC)c1)[C@@H]2c1ccc(O)c(O)c1 1864016147 IORRUQLTBYHWGX-XMMPIXPASA-N 542.592 4.009 10 10 KICE CCCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2cccc(F)c2)[C@H]1c1ccc(O)c(O)c1 1864018880 TUASGUSTPQKQPE-HSZRJFAPSA-N 508.594 4.435 10 10 KICE CC[C@H](C)NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2F)[C@@H]1c1ccc(O)c(O)c1 1864021761 GGDIXQUMQNLFMG-SGTLLEGYSA-N 520.483 4.110 10 10 KICE CCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)c1ccc3c(c1)CCCC3)=C(N)O2 1864022098 SVYKUKCGJWNCKL-FYSMJZIKSA-N 502.615 4.327 10 10 KICE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)NC(C)C)=C(N)O3)cc1 1864022557 ONLYACZWIBEINE-QHCPKHFHSA-N 512.566 4.178 10 10 KICE CCOc1cccc([C@@H]2C(C(=O)N3CCN(c4ccc(OC)cc4)CC3)=C(N)Oc3c2c(C)nn3CC(C)C)c1 1865247521 UBYPFXALKQCWDW-MHZLTWQESA-N 545.684 4.298 10 10 KICE C[C@@H](NC(=O)CCS(=O)(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866810598 BIYFSGQOLPTRLU-GOSISDBHSA-N 546.645 4.067 10 10 KICE CN(C)c1ccc([C@@H](CNC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)N2CCCCC2)cc1 1867782891 XQICPAXABGCOJM-BZKUTMRRSA-N 646.764 4.321 10 10 KICE CC[C@](C)(NC(=O)Cc1nc(-c2ccc(C)cc2)oc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868635932 DTWSMOHRAVHAFA-LJAQVGFWSA-N 504.631 4.143 10 10 KICE COc1ccc(N2CCN(c3nc(=NCc4ccccc4F)[nH]c(=Nc4cccc(C)c4C)[nH]3)CC2)cc1 1871593803 LVKVCQHFYNERFX-UHFFFAOYSA-N 513.621 4.162 10 10 KICE COc1ccc(N2CCN(c3nc(=NCc4ccccc4F)[nH]c(=Nc4cc(C)ccc4C)[nH]3)CC2)cc1 1871672577 MYJKTUUNAWVBPF-UHFFFAOYSA-N 513.621 4.162 10 10 KICE CCN(CC)CCCCN1C(=O)C(NCCCCN(C)C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873167400 FUGOVKCIVLOSCS-UHFFFAOYSA-N 507.723 4.227 10 10 KICE COC(=O)c1ccccc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCc2cnc[nH]2)C1=O 1873425675 BCNYUMYTQSLIQQ-UHFFFAOYSA-N 509.566 4.039 10 10 KICE O=C(O)COc1ccccc1/C=C1\SC(=S)N(NC(=O)COc2cc(Cl)c(Cl)cc2Cl)C1=O 100844131 YWADMZOICJOBAJ-BNCCVWRVSA-N 547.825 4.422 10 10 KICE CCOC(=O)CCCCCN1C(=O)/C(=C/c2ccc(OCC(=O)N3CCCCC3)cc2)SC1=S 206724082 UNKOEAVBUMJHOQ-FXBPSFAMSA-N 504.674 4.403 10 10 KICE CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@H](C)C1)=C(N)O2 1865034812 FGHWYAYPLUHDKC-UAVUOLJFSA-N 520.605 4.243 10 10 KICE CCCCN(CC)C(=O)C1=C(N)Oc2c(c(CC)nn2Cc2ccc(F)cc2)[C@@H]1c1ccc(O)c(O)c1 1865035559 WVUITLLMOKBYDG-QHCPKHFHSA-N 508.594 4.387 10 10 KICE COc1ccc(CCN2C(=O)c3ccc(C(=O)Nc4ccc(I)cc4C(=O)O)cc3C2=O)cc1 1865884247 GLXUNHTZHUEZAV-UHFFFAOYSA-N 570.339 4.089 10 10 KICE O=C(C[C@@H](c1ccc(F)cc1)c1cccc(F)c1)N[C@@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866782432 PDEDPAKQJPLPBS-BDYUSTAISA-N 554.549 4.378 10 10 KICE CCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(CC(C)C)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867420619 SEYRXUQQGLJQEW-URLMMPGGSA-N 575.754 4.247 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(N[C@@H](C)c3ccccc3)C(=O)N(Cc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 1873168187 MCHRQPSTSGDTDK-QFIPXVFZSA-N 554.672 4.372 10 10 KICE COc1ccc(OCCCOc2ccc(C=C3C(=N)N4C(SC)=NSC4=NC3=O)cc2OC)cc1 2297341125 ZVJFEWUFHMUQPU-UHFFFAOYSA-N 512.613 4.491 10 10 KICE CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C(=O)O)c4)c3C)c(=O)n2[C@H]1c1ccc(C)cc1 2185553 GLUZJZQZSIXAAM-BIWBSIMWSA-N 555.656 4.212 10 10 KICE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CCCCCC(=O)O)C3=O)c(N(C)Cc3ccccc3)nc12 102835706 WXEODRUKHVYGHO-LTGZKZEYSA-N 536.679 4.486 10 10 KICE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CCCCCC(=O)O)C3=O)c(NCCCOC(C)C)nc12 102863064 FEGPJRZZDFXNIQ-XDJHFCHBSA-N 532.688 4.076 10 10 KICE O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/Nc1ccc(Cl)c(CN2C(=O)c3ccccc3C2=O)c1 103861446 ZOUNHZKYWFQBES-UDWIEESQSA-N 535.343 4.368 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@H]1c1ccccc1 254493346 NWGRYSIRFIJAJY-SANMLTNESA-N 542.617 4.114 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)c3ccc4nc(-c5cccc(Cl)c5)[nH]c4c3)CC2)cc1 1861888045 BCVZSTOGQCMXMF-SFHVURJKSA-N 518.017 4.359 10 10 KICE CCCC[C@H](NC(=O)c1cc(CC)n(Cc2ccccc2)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861905085 OLAVYVLHGBVSEB-MHZLTWQESA-N 517.674 4.140 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)/C=C/c3cccc(Cl)c3)CC2)cc1 1862137429 KCZQUNVFAXQJHW-AXVLYVPRSA-N 520.029 4.144 10 10 KICE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCc1nc3ccccc3[nH]1)[C@@H]2c1ccc(O)c(O)c1 1864016397 NXMNOOWNXYADSQ-XMMPIXPASA-N 536.592 4.259 10 10 KICE CCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(C)cc1)=C(N)O2 1864018286 HRDOVXJIGLDZKI-RUZDIDTESA-N 528.584 4.364 10 10 KICE CCCc1nn(CC)c2c1[C@H](c1ccccc1C)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865657436 WIEQDZMEXGAUBV-VWLOTQADSA-N 515.658 4.216 10 10 KICE CCOC(=O)c1c(NC(=O)[C@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)sc2c1CC[C@@H](C)C2 1865927070 IGCXAUKPVWOAFW-AEFFLSMTSA-N 514.644 4.097 10 10 KICE COc1ccccc1C(=O)N[C@@H](Cc1ccc(OC(C)=O)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867916493 RHXGBAYBKNRMGT-CONSDPRKSA-N 586.733 4.371 10 10 KICE CCC[C@@H](NC(=O)Cc1sc(NC(C)=O)nc1-c1cccs1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868628461 HAWKSRTXCBFYAG-OAQYLSRUSA-N 555.726 4.015 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)CCCc3ccc4c(c3)OCCO4)CC2)cc1 1868727646 UKJLLMGXZNXOJK-NDEPHWFRSA-N 561.654 4.005 10 10 KICE CCCCCCn1cc(OCC(=O)NCCCC)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870518552 CUDMMFOEEAKKDC-UHFFFAOYSA-N 512.695 4.055 10 10 KICE COc1ccc(N2CCN(C(=O)c3cc4c(NCCCCN5CCCC5)ncnc4n3CC(C)C)CC2)cc1 1875212399 XWPQQTOPXVOOGH-UHFFFAOYSA-N 533.721 4.346 10 10 KICE CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3cc(I)c(NC)c(I)c3)C2=O)c1 2313557275 YVEYXZFFHFEBGZ-UHFFFAOYSA-N 661.234 4.401 10 10 KICE CCOC(=O)c1ccc(NC(=O)CN2C(=O)C(=Cc3cccc(Br)c3)SC2=S)cc1 2314828156 QWMSTODIDHPISC-UHFFFAOYSA-N 505.415 4.466 10 10 KICE Cc1ccc(CN2C(=O)/C(=C\c3c(NC[C@@H]4CCCO4)nc4ccc(C)cn4c3=O)SC2=S)cc1 33781435 JRTAISSMEZCNOP-CIPMJJFUSA-N 506.653 4.304 10 10 KICE CCCCn1c(N2CCCCCC2)c(/C=C2\SC(=S)N(CCCOC)C2=O)c(C)c(C#N)c1=O 39991287 VFTZCPHTFGMIAB-PGMHBOJBSA-N 502.706 4.447 10 10 KICE CCOC(=O)CCCCCN1C(=O)/C(=C\c2ccc(OCC(=O)N(CC)CC)c(OC)c2)SC1=S 40928420 BESIMEXCFWPDTK-LTGZKZEYSA-N 522.689 4.267 10 10 KICE O=C1N=C(N2CCOCC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCCC2)c1 101014399 UYPYXOQAODAWEJ-QOMWVZHYSA-N 577.732 4.407 10 10 KICE N=C1/C(=C\c2ccc(OCCOc3ccccc3)c(Cl)c2)C(=O)N=C2SC(CC(=O)N3CCCC3)=NN12 102473549 ZVLBOFFMGDQFGE-WJBCKELLSA-N 538.029 4.429 10 10 KICE CCOc1cc(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)ccc1OCC(=O)N(CC)CC 206707005 XYQYNASVGXRUPT-HKWRFOASSA-N 508.662 4.179 10 10 KICE C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)CCN2C(=O)/C(=C\c3cccs3)SC2=S)[C@H]2CCS(=O)(=O)C2)o1 1615296218 RQHFZRIZNZIEDL-JZNHCRHSSA-N 550.749 4.272 10 10 KICE CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1)=C(N)O2 1864012625 FNKSWYQAVPHUGX-VWLOTQADSA-N 528.584 4.445 10 10 KICE Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)NCc2ccco2)[C@@H]3c2ccc(O)c(O)c2)cc1 1864015055 IRQYEWTZXINFOP-LJQANCHMSA-N 526.471 4.215 10 10 KICE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NCCC(C)C)[C@H]2c1ccc(O)c(O)c1 1864017485 NHPLVCUUAQTHJU-QFIPXVFZSA-N 506.603 4.237 10 10 KICE NC1=C(C(=O)NC2CC2)[C@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3cccc4ccccc34)c2O1 1864022571 OWQZNXHCPHUKQS-HXUWFJFHSA-N 522.483 4.429 10 10 KICE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)NC2CC2)=C(N)O3)cc1 1864023238 WHXBVMCMHQZKSN-DEOSSOPVSA-N 524.577 4.241 10 10 KICE CN(C)c1ccc([C@H](CNC(=O)C[C@H](CNC(=O)C(F)(F)F)c2ccccc2)N2CCCCC2)cc1 1865983839 VSQANRCPHHYKGN-VWNXMTODSA-N 504.597 4.248 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(OC(C)=O)cc3)NC(=O)c3cccc(-n4cccc4)c3)CC2)cc1 1868615094 XNKPYYPDECGGMO-WJOKGBTCSA-N 566.658 4.101 10 10 KICE COc1ccc(-c2csc(CCC(=O)N[C@H](C(=O)N3CCN(c4ccc(OC)cc4)CC3)C(C)C)n2)cc1 1868913674 OFQFPRJUWWXZDT-NDEPHWFRSA-N 536.698 4.250 10 10 KICE Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C=CC(=O)OCC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C 2042434624 KMTGCBSLNBLQCV-FQEVSTJZSA-N 534.009 4.190 10 10 KICE O=C1C(=Cc2c(NCc3ccco3)nc3ccccn3c2=O)SC(=S)N1Cc1ccc2c(c1)OCO2 2297312696 WYGFMKQDKZKAAH-UHFFFAOYSA-N 518.576 4.030 10 10 KICE COc1ccc(-n2c(C)cc(C=C3C(=N)N4N=C(CC(=O)N5CCCCC5)SC4=NC3=O)c2C)c(OC)c1 2297469431 LDVSYDULIXCAJL-UHFFFAOYSA-N 534.642 4.133 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)C(C)=Cc3ccccc3)CC2)cc1 2330071061 BMOWCIFHZOHETK-NDEPHWFRSA-N 501.602 4.314 10 10 KICE CCOCCCN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3cccc(Cl)c3)c3ccccc32)SC1=S 2509068 BWUFPAJFBRWAQE-QZQOTICOSA-N 516.044 4.323 10 10 KICE COc1ccc(CN2C(=O)/C(=C/c3c(N4CCC(C)CC4)nc4ccccn4c3=O)SC2=S)cc1 33468380 XLANZZJUGZBSDT-QNGOZBTKSA-N 506.653 4.341 10 10 KICE CCOC(=O)Cn1cc(C(=O)C(=O)N2CCN(c3ccc(OC)cc3)CC2)c2cc(NC(=O)c3ccc(Cl)nc3)ccc21 103104828 NIJPABKBZLVZIT-UHFFFAOYSA-N 604.063 4.045 10 10 KICE Cc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)c1ccc3c(c1)CCCC3)=C(N)O2 1864009486 IGJVYTYVDNVCFU-SOKVYYICSA-N 537.620 4.438 10 10 KICE COCCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)cc2)[C@@H]1c1ccc(O)c(O)c1 1864014671 ZZSBNKNBDNPCBW-QHCPKHFHSA-N 547.011 4.451 10 10 KICE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccnc1)=C(N)O2 1864019189 WAIQEBDKNCWYQN-QHCPKHFHSA-N 549.990 4.104 10 10 KICE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4-c4cccc(Cl)c4)[C@@H]3c3ccc[nH]3)CC2)cc1 1865594537 XZRSPVMNIXQHDT-VWLOTQADSA-N 545.043 4.214 10 10 KICE COc1ccc(N2CCN(c3cc(N(Cc4ccccc4)C(=O)[C@@H]4CCCN4)nc(C(C)C)n3)CC2)cc1 1869088770 MLROFIXHXLRCAD-SANMLTNESA-N 514.674 4.220 10 10 KICE Cc1cccc(Cn2nc(I)c(I)c2C(F)(F)F)c1O 2079209946 FCAUJMNTEBODNC-UHFFFAOYSA-N 508.019 4.173 10 10 KICE COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)C1=Cc1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1 2293582774 XRORDBAWOHBYJW-UHFFFAOYSA-N 585.476 4.436 10 10 KICE CCOC(=O)c1ccc(NC(=O)CN2C(=O)C(=C3SC(=S)N(C4CCCC4)C3=O)c3ccccc32)cc1 2296711316 MEKLYNGWVLBFIZ-UHFFFAOYSA-N 535.647 4.363 10 10 KICE COc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)o1 2297617231 KNDMVOIAXKEHTQ-UHFFFAOYSA-N 512.272 4.292 10 10 KICE CCOC(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C/c3cc(OC)c(O)c(OC)c3)SC2=S)cc1 101967431 QGTBLFAQQKUAMG-ZHZULCJRSA-N 530.624 4.206 10 10 KICE O=C1N=C(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)S/C1=C/c1ccccc1OS(=O)(=O)c1ccccc1 103128528 KSQCZKMQRMHEFQ-HKOYGPOVSA-N 550.618 4.155 10 10 KICE CCCCCN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(C)c2N2CCN(c3ccccc3F)CC2)SC1=S 105634993 BKPJSPZLPLSFNY-XQNSMLJCSA-N 539.702 4.423 10 10 KICE CCn1c(N2CCN(c3ccccc3F)CC2)c(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)c(C)c(C#N)c1=O 110523135 FQICADRIUOKCAG-ULJHMMPZSA-N 597.738 4.360 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 252676166 WFEXIXVEPFOHAY-GDLZYMKVSA-N 615.708 4.311 10 10 KICE NC1=C(C(=O)NCCCn2ccnc2)[C@@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3ccccc3)c2O1 1864014471 VUWIHRLXOVLKPC-VWLOTQADSA-N 548.603 4.048 10 10 KICE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NCCc1cccs1)[C@H]2c1ccc(O)c(O)c1 1864017761 UQEXGMLRBJALAI-QHCPKHFHSA-N 546.649 4.495 10 10 KICE CCN(CCO)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)cc2)[C@@H]1c1ccc(O)c(O)c1 1865032155 WXFYDCHYJXDSTC-QHCPKHFHSA-N 547.011 4.139 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)C[C@H](c3ccccc3)c3nnc(C)o3)CC2)cc1 1868890936 NIIZVRZTOHZMTC-FQLXRVMXSA-N 571.653 4.124 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCN(c5ccc(S(=O)(=O)NC6CCCCC6)cc5)CC4)nc(C)n3)CC2)cc1 1869290063 VKZBWCNPTZZRBI-UHFFFAOYSA-N 605.809 4.058 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccccc3Cl)C(=O)N(CCCN3CCOCC3)C2=O)cc1 1873166416 PAOWMHSZCCMQMR-UHFFFAOYSA-N 533.072 4.340 10 10 KICE COc1ccc(Br)c(CNC(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C)c1O 2227742353 DDOPQVGLNIKUFL-UHFFFAOYSA-N 532.476 4.451 10 10 KICE O=C(NN1C(=O)/C(=C2\C(=O)N(Cc3ccccc3Cl)c3ccccc32)SC1=S)c1cccnc1 33329938 ASPVOXNFJWREFL-FMQUCBEESA-N 506.996 4.198 10 10 KICE O=C(O)COc1ccc(/C=C2\SC(=S)N(NC(=O)COc3cc(Cl)c(Cl)cc3Cl)C2=O)cc1 100844436 OJXUMBBWPJMLBV-BNCCVWRVSA-N 547.825 4.422 10 10 KICE CCN(CC)c1ccc(CN(C[C@@H]2CCCO2)C(=O)COC)c(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 103418307 AFSAZRFATBAYHI-QFIPXVFZSA-N 558.619 4.473 10 10 KICE CCCCn1c(N2CCN(C)CC2)c(/C=C2\SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)c(C)c(C#N)c1=O 110529091 BPDKSZJEWJOEIE-ITYLOYPMSA-N 595.791 4.041 10 10 KICE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOCC)=C(N)O2 1864012488 ARNPZOMMZVMAHA-HSZRJFAPSA-N 541.048 4.186 10 10 KICE CCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CC)=C(N)O2 1865032855 MTWOWXXSADZKDX-HXUWFJFHSA-N 527.419 4.171 10 10 KICE COc1ccc(CCN2C(=O)c3ccc(C(=O)Nc4ccc(Br)cc4C(=O)O)cc3C2=O)cc1 1865884904 OXMFUKFGOMOVFT-UHFFFAOYSA-N 523.339 4.247 10 10 KICE CCc1ccc(/C(C)=C/C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1868660930 IRJYQEAIXIHPGD-MVIHEARRSA-N 527.665 4.443 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)[C@@H](c3ccc(F)cc3)C(C)C)CC2)cc1 1868853071 QYXRQYUYSDFUJX-FQLXRVMXSA-N 533.644 4.356 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)c3n[nH]c(C)c3-c3ccccc3)CC2)cc1 1869064605 VYAGYEMDBHAVCI-HHHXNRCGSA-N 541.627 4.223 10 10 KICE COc1ccc(N2CCN(c3cc(N4C[C@@H](C)OCC4(C)C)nc(-c4cccc(OC)c4)n3)CC2)cc1 1869304843 JZCHFGVFTCLCTG-OAQYLSRUSA-N 503.647 4.491 10 10 KICE COCCn1cc(OCCCCOc2ccccc2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870318538 KORFTOXXFUYOIW-UHFFFAOYSA-N 521.658 4.064 10 10 KICE CCCCCCOc1cn(CCCn2ccnc2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870675443 RXORBAAVZAKERI-UHFFFAOYSA-N 507.679 4.425 10 10 KICE CCSC1=NSC2=NC(=O)C(=Cc3ccc(OCCOc4ccc(OC)cc4)c(OC)c3)C(=N)N12 2297341063 NFLFYWOYRHDCLG-UHFFFAOYSA-N 512.613 4.491 10 10 KICE CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C3SC(=S)N(CCOC)C3=O)c2)CC1 2314476976 ZDRKCDCIASTBFX-UHFFFAOYSA-N 640.809 4.351 10 10 KICE Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1/C=C1\C(=O)N(c2ccc(Cl)cc2)C(=O)N=C1O 59858813 OEDQGMSKGZZHHC-YVLHZVERSA-N 510.850 4.466 10 10 KICE Cc1ccc2nc(N3CCC[C@@H](C)C3)c(/C=C3/SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(=O)n2c1 100885920 GSEMUEYTKKDXOZ-MMTNMYCKSA-N 586.743 4.443 10 10 KICE CCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCOCC3)c2)SC1=S 101013134 CZBMGGZEIKIPKF-QJOMJCCJSA-N 554.719 4.171 10 10 KICE COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)cc(Br)c1OCC(=O)N1CCOCC1 150399955 FLENJQJIWXUSQG-XDHOZWIPSA-N 671.389 4.004 10 10 KICE O=C(O)C[C@]1(C(=O)O)N[C@H](c2ccc(/C=C/c3ccccc3)cc2)[C@H]2C(=O)N(Cc3ccc4c(c3)C(=O)c3ccccc3C4=O)C(=O)[C@H]21 150604035 ZYANPVOTPCBXTC-MNRWCRQVSA-N 640.648 4.376 10 10 KICE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NCCCc1ccccc1)[C@@H]2c1ccc(O)c(O)c1 1864017730 SXVWNSFMRXKKRY-RUZDIDTESA-N 540.620 4.433 10 10 KICE CCCc1nn(C)c2c1[C@H](c1c(F)cccc1Cl)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865144712 ABSXIVKGOOYQHB-DEOSSOPVSA-N 540.039 4.217 10 10 KICE CSCC[C@@H](NC(=O)c1ccc(F)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867345338 VNNHYYXLLATLQM-RPBOFIJWSA-N 500.684 4.087 10 10 KICE C[C@H](NC(=O)c1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867725359 GLKSRNNWIFYZRT-LGGPFLRQSA-N 585.680 4.154 10 10 KICE CCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCc3cc(OC)c(OC)cc3C2)n1 1867977253 XZNRNRWJAHJZTF-UHFFFAOYSA-N 503.647 4.344 10 10 KICE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4cccc5ccccc45)cn3C[C@H](C)O)CC2)cc1 1870487742 KBQGBKJMDNDJNF-QHCPKHFHSA-N 513.638 4.292 10 10 KICE COc1ccc(N2CCN(c3nc(=NCc4ccc(Cl)cc4)nc(Nc4ccc(O)cc4)[nH]3)CC2)cc1 1871719026 QUKCDHWMUVSGEM-UHFFFAOYSA-N 518.021 4.343 10 10 KICE CCN(CC)CCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CC2CCC(C(=O)OC)CC2)C1=O 1873167774 WZXOHLPPPYCQCV-UHFFFAOYSA-N 548.728 4.475 10 10 KICE CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCc4ccccc4)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 6378544 MVRNLUQFOPVFHJ-HSUOJCLFSA-N 553.684 4.443 10 10 KICE COc1cc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OC(=O)c1ccc(F)cc1 33744872 BADUDYGZHIMOKA-DZCSLESKSA-N 501.499 4.116 10 10 KICE COc1cc(OC)c(CN2C(=O)c3ccccc3C2=O)cc1/C=C1/C(=O)N=C(S)N(c2ccc(Cl)cc2)C1=O 102555283 OVRGDTUYLYNWDG-MTJSOVHGSA-N 562.003 4.396 10 10 KICE CCN(CC)C(=O)CCCCCN1CS/C(=C2\SC(=S)N(CCCCCC(=O)N(CC)CC)C2=O)C1=O 106699633 DCTFPASCRDRURA-FCQUAONHSA-N 570.847 4.449 10 10 KICE CCCCn1c(N2C[C@H](C)O[C@@H](C)C2)c(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)c(C)c(C#N)c1=O 137765357 RMKFVPFXWNUAIX-NGGAMFONSA-N 560.742 4.288 10 10 KICE COC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC)c(COc4ccccc4C)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 252669046 GHFXXMMRISHFJL-SSEXGKCCSA-N 583.710 4.370 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 254865594 PYBFTGQGPRGPBA-NDEPHWFRSA-N 602.669 4.131 10 10 KICE COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 1084335184 BRXSAJDUIIAWCP-PDGQHHTCSA-N 507.499 4.153 10 10 KICE CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC(C)C)=C(N)O2 1864013660 YPUBSWPVMOMFKR-DEOSSOPVSA-N 538.620 4.060 10 10 KICE Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCc1cccc(Cl)c1)[C@@H]2c1ccc(O)c(O)c1 1864016123 HWUFRFCRFXBPIJ-OAQYLSRUSA-N 502.958 4.163 10 10 KICE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)NC2CCCC2)=C(N)O3)cc1 1864017027 COXKCNWCVSARSM-XMMPIXPASA-N 539.592 4.108 10 10 KICE CCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(C)c1)=C(N)O2 1864019579 MTKHWXSEZKTWEF-VWLOTQADSA-N 510.594 4.224 10 10 KICE CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1865027314 GNCMPHISTGNCFV-JOCHJYFZSA-N 547.439 4.214 10 10 KICE CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)C[C@@H](C)C1)=C(N)O2 1865034906 HOLSOGJRNOXQPX-OJLQRUNKSA-N 520.605 4.243 10 10 KICE CCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)Cc1ccccc1)=C(N)O2 1865035238 OTYHAWROSSLAJY-RUZDIDTESA-N 528.584 4.397 10 10 KICE O=C(CCc1nc(O)c2ccccc2n1)N[C@H](Cc1ccc(O)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867262750 XVTMVWBOAZOGTE-HHHXNRCGSA-N 586.604 4.115 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)[C@@H](C)Cc3ccc(F)cc3)CC2)cc1 1868767241 ULEUTVMCPMLNLU-KMRXNPHXSA-N 521.608 4.228 10 10 KICE O=C1C(=C2SC(=S)N(CCC(=O)N3CCCc4ccccc43)C2=O)CC(=S)N1CCC(=O)N1CCCc2ccccc21 2053612755 NIVBPHIOVOYZLY-UHFFFAOYSA-N 618.806 4.400 10 10 KICE COC(=O)c1c(-n2c(C)cc(C=C3C(=O)NC(=O)N(Cc4ccccc4)C3=O)c2C)sc2c1CCCC2 2313631663 VSYWWAYSTMAUMN-UHFFFAOYSA-N 517.607 4.483 10 10 KICE COc1cc(C=C2SC(=S)N(CC(=O)N3C[C@@H](C)O[C@H](C)C3)C2=O)ccc1OC1CCCCC1 2314490473 YGMZIULLTCAZFK-IAGOWNOFSA-N 504.674 4.244 10 10 KICE O=C(O)COc1ccc(C=C2SC(=S)N(NC(=O)c3ccc(OCc4ccccc4)cc3)C2=O)cc1 2314929964 VJSJMFIOBPXJPT-UHFFFAOYSA-N 520.588 4.275 10 10 KICE CCCCn1c(N2CCN(c3ccc(F)cc3)CC2)c(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)c(C)c(C#N)c1=O 110531607 HARDUEPMICLAOA-ULJHMMPZSA-N 597.738 4.360 10 10 KICE Cc1c(N2C(=O)/C(=C\c3c[nH]nc3-c3cccc([N+](=O)[O-])c3)SC2=S)c(=O)n(-c2ccccc2)n1C 110567803 CFLLIEAZUGSWDH-XDHOZWIPSA-N 518.580 4.189 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)c3c(F)cccc3Cl)CC2)cc1 1862299191 CAQCZUHRCVGPCV-DEOSSOPVSA-N 513.972 4.317 10 10 KICE CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCc1ccccc1)=C(N)O2 1864013778 GAXSQBQADXRLIP-DEOSSOPVSA-N 504.631 4.491 10 10 KICE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)NC(C)C)=C(N)O3)cc1 1864017243 IRKRXQXXURIHLS-XMMPIXPASA-N 544.583 4.377 10 10 KICE CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)c1ccc(OC)c(OC)c1)=C(N)O2 1864021254 NZZSVNDGEOXRCL-UPCLLVRISA-N 536.629 4.102 10 10 KICE NC1=C(C(=O)N2CCCCC2)[C@@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(Cc3cccc(F)c3)c2O1 1865033618 DVDNSLXZNGOGFL-IBGZPJMESA-N 532.494 4.208 10 10 KICE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)N1CCOc3ccccc31)[C@@H]2c1ccc(O)c(O)c1 1865034365 UVWOAUAGRBZSMR-XMMPIXPASA-N 540.576 4.110 10 10 KICE CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1cccc(OCC)c1 1865247153 MERJOTBVIRHGEJ-SANMLTNESA-N 531.657 4.052 10 10 KICE CCCc1nn(CC(C)C)c2c1[C@H](c1ccccc1O)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865528435 GQCBWVVYYDBTSD-SANMLTNESA-N 545.684 4.249 10 10 KICE COc1cccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867385159 YNDPQZXVPPMRFP-KYJUHHDHSA-N 528.697 4.446 10 10 KICE CC[C@H](C(=O)N[C@@H](CCSC)C(=O)N1CCN(c2ccc(OC)cc2)CC1)c1ccc(Cl)cc1 1868834234 ADXCNJJRBUNOKB-ZEQRLZLVSA-N 504.096 4.429 10 10 KICE COc1ccc(N2CCN(C(=O)c3cc4c(NC[C@H](c5ccc(O)cc5)N(C)C)ncnc4n3CC(C)C)CC2)cc1 1875209204 FISKXXPQVLBTPH-GDLZYMKVSA-N 571.726 4.479 10 10 KICE Cc1ccc(CN2C(=O)C(=Cc3c(N4C[C@@H](C)O[C@H](C)C4)nc4ccc(C)cn4c3=O)SC2=S)cc1 2314400504 NXESMZMLIYNDCQ-RTBURBONSA-N 520.680 4.326 10 10 KICE CC[C@H](Oc1ccc(C=C2SC(=S)N(NC(=O)c3ccccc3Br)C2=O)cc1OC)C(=O)O 2314931724 HZRNPPAEYBNGFN-HNNXBMFYSA-N 551.440 4.246 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)/C=C/c3ccc(Cl)cc3Cl)CC2)cc1 1862145903 ZQGHRKAPEYZDQZ-LHOVZLELSA-N 506.455 4.266 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)c3ccc(Cl)s3)CC2)cc1 1862248895 RKWYVZUUGFFAEL-NRFANRHFSA-N 502.011 4.239 10 10 KICE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1nc3ccccc3[nH]1)=C(N)O2 1864007090 FYIXJCMAQOIQIU-DEOSSOPVSA-N 542.983 4.133 10 10 KICE CCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1864016036 YYZLNRLUJPGHEQ-HNNXBMFYSA-N 529.302 4.440 10 10 KICE CCCC[C@H](NC(=O)c1cccc(OC(C)=O)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867296884 VGNYKSKPCUDKKW-WUFINQPMSA-N 522.690 4.310 10 10 KICE CN(C)c1ccc([C@H](CNC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)N2CCCCC2)cc1 1867683935 SXVJCTAHBNZLPD-SAIUNTKASA-N 700.277 4.251 10 10 KICE CC(=O)Oc1ccc(C[C@@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867828845 WVADDVLPOZZCLJ-FIRIVFDPSA-N 646.701 4.179 10 10 KICE COc1ccc(N2CCN(c3cc(N4CC(=O)N5CCc6c(F)cccc6[C@H]5C4)nc(C(C)(C)C)n3)CC2)cc1 1869190809 KAKYVWRYRUQOBT-AREMUKBSSA-N 544.675 4.194 10 10 KICE COc1ccc(N2CCN(c3nc(=NC[C@@H]4CCCO4)nc(Nc4ccc(C(C)(C)C)cc4)[nH]3)CC2)cc1 1871554224 BVPKKHJESCKQHG-VWLOTQADSA-N 517.678 4.261 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3cnc[nH]3)C(=O)N(CC3CCC(C(=O)OC(C)C)CC3)C2=O)cc1 1873168993 TVDWIWISWLUHLH-UHFFFAOYSA-N 557.695 4.487 10 10 KICE CC[C@H](Oc1ccc(C=C2SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)cc1OC)C(=O)O 2314931481 FYCPAZYDUNNFCW-HNNXBMFYSA-N 506.989 4.137 10 10 KICE COc1ccc(N2CCN(S(=O)(=O)c3cc(C(=O)Nc4ccccc4Cl)ccc3F)CC2)cc1 9490252 OJIXEJJBBIZSDX-UHFFFAOYSA-N 503.983 4.251 10 10 KICE COc1ccc(N2CCN([C@H](c3cccs3)[C@@H](C)NC(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc1 57015875 XYYBPNFJZVZWQP-BCHFMIIMSA-N 525.671 4.464 10 10 KICE CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3)c3c2C(=O)c2ccccc2C3=O)cc1 111890366 YUITVXXZMQHAMJ-UHFFFAOYSA-N 553.596 4.217 10 10 KICE CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3\SC(=S)N(CCOC)C3=O)c2)CC1 150448035 ZDRKCDCIASTBFX-XHPQRKPJSA-N 640.809 4.351 10 10 KICE CCN(CC)c1ccc([C@H]2C(c3cccs3)=C(O)C(=O)N2c2ccc(S(=O)(=O)NC(C)=O)cc2)cc1 526139210 MHLRNEOGOHWQQM-DEOSSOPVSA-N 525.652 4.476 10 10 KICE CC(C)CNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1864016540 RTBCSCUTDAHRHT-DEOSSOPVSA-N 510.594 4.476 10 10 KICE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOc1ccccc1)=C(N)O2 1864017884 XRJJYCXBLJZYMX-DEOSSOPVSA-N 547.011 4.389 10 10 KICE CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(C)cc1)=C(N)O2 1864018287 HRDOVXJIGLDZKI-VWLOTQADSA-N 528.584 4.364 10 10 KICE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)N1CCC(C)CC1)[C@@H]2c1ccc(O)c(O)c1 1865033534 BVJCZNWIXVAGFU-HSZRJFAPSA-N 518.614 4.333 10 10 KICE CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(C)cc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865193802 AFPAIBPAWAUQID-AREMUKBSSA-N 529.685 4.462 10 10 KICE CC[C@@H](CC(=O)N[C@@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(Br)ccc1OC 1867138566 RRAQNEKWCKMDBH-HJPURHCSSA-N 579.447 4.233 10 10 KICE O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(-c2ccncc2)[nH]n1 1867162684 HBQZDQWKXUMFOX-SANMLTNESA-N 541.567 4.227 10 10 KICE CCCC[C@H](NC(=O)c1cc(OC)cc(OC)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867390313 BLYAHBBHZXSRMK-WUFINQPMSA-N 524.706 4.402 10 10 KICE CCC[C@H](NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867843913 FIKWXWMWFCBXNI-OZXSUGGESA-N 554.648 4.119 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCN(c5ccccc5)C(=O)C4)nc(-c4cccc(OC)c4)n3)CC2)cc1 1869318267 UTKBZDFDMINKEZ-UHFFFAOYSA-N 550.663 4.341 10 10 KICE COC(=O)c1ccc(CNC(=O)CCn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)cc1 1873947779 FOYVBZVTVGYZJS-UHFFFAOYSA-N 506.562 4.067 10 10 KICE O=C1CN(C(=O)NCCCCCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c2ccccc2N1 1874016964 JCVMCLNTSGHARF-UHFFFAOYSA-N 510.550 4.129 10 10 KICE COc1cc(C=C2C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OC(=O)c1ccccc1F 2297468404 YCACJQXUFANWHH-UHFFFAOYSA-N 501.499 4.116 10 10 KICE CCOc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc(N5CCOCC5)cc4)c3C)C(=O)NC2=S)cc1 2313624446 SPBGMVZUNZESEA-UHFFFAOYSA-N 530.650 4.161 10 10 KICE COc1cc(C=C2SC(=S)N(CC(=O)N3C[C@H](C)O[C@@H](C)C3)C2=O)ccc1OC1CCCCC1 2314490476 YGMZIULLTCAZFK-IRXDYDNUSA-N 504.674 4.244 10 10 KICE CC[C@@](C)(NC(=O)C=C(C)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 2331922435 GDKICXKSFWMMJU-WJOKGBTCSA-N 573.671 4.039 10 10 KICE CCCC[C@H](CC)CN1C(=O)/C(=C/c2c(N3CCOCC3)nc3ccc(C)cn3c2=O)SC1=S 33492734 WDZDBLUIADOEHO-HJHGFDQJSA-N 500.690 4.257 10 10 KICE CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOCC)=C(N)O2 1864011840 ZDRJDNKWKVGSHN-JOCHJYFZSA-N 527.021 4.127 10 10 KICE CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@@H](C)C1)=C(N)O2 1865029940 YTRWEJAKFUIIIQ-RHGYRFJNSA-N 502.615 4.435 10 10 KICE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)N1CCCCCC1)[C@H]2c1ccc(O)c(O)c1 1865033873 JNKYWLQWXKMJMJ-QFIPXVFZSA-N 504.587 4.087 10 10 KICE CCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1ccc(C(F)(F)F)cc1 1865554157 GWEQQJMHMPQXAQ-QHCPKHFHSA-N 541.574 4.282 10 10 KICE C[C@H](NC(=O)[C@H](C)c1ccc(Br)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866933389 GQISEFPLZWFMGL-CABCVRRESA-N 505.368 4.471 10 10 KICE CC[C@H](NC(=O)CCSc1nnc(-c2ccccc2)n1C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867075151 IGBGVLXJGLRRFD-QFIPXVFZSA-N 553.644 4.273 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)CCCC(=O)c3cccs3)CC2)cc1 1868733494 MNYVVTLCWJIMGT-RUZDIDTESA-N 519.667 4.186 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCCCc3ccccc3)C(=O)N(CCCN3CCOCC3)C2=O)cc1 1873170846 TYSDDOQYSURXIJ-UHFFFAOYSA-N 526.681 4.119 10 10 KICE Cc1ccc(OCCOc2ccc(C=C3C(=N)N4N=C(CC(=O)N5CCCC5)SC4=NC3=O)cc2)cc1 2297073793 XSTVLBUPUKZZJI-UHFFFAOYSA-N 517.611 4.084 10 10 KICE CCOc1cc(C=C2SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)ccc1OCC(=O)O 2314931887 IUGDCLKAHIXZBA-UHFFFAOYSA-N 503.598 4.010 10 10 KICE CCOC(=O)Cn1cc(/C=C2\C(=O)N(Cc3ccco3)C(=O)N=C2O)c2cc(Br)ccc21 59087179 JIYNORLVPBABFB-IUXPMGMMSA-N 500.305 4.062 10 10 KICE CCOc1cc(/C=C2/SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)ccc1OCCC(=O)O 59816304 NPYKNQZJNMSRCA-RCCKNPSSSA-N 539.635 4.142 10 10 KICE O=[S@](O)c1cc(S(=O)(=O)O)cc2ccc(O)c(/N=N/c3ccc(S(=O)(=O)O)c4ccccc34)c12 616581903 DZSYPGHNERAAAE-QURGRASLSA-N 522.538 4.188 10 10 KICE CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)c(OC(C)C)c(OC)c3)C2=O)cc1 1083967998 XXOWEKPJHXTMJU-YVLHZVERSA-N 503.349 4.310 10 10 KICE CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)c1ccc(OC)cc1)=C(N)O2 1864014082 NBICEROMHCLGQE-QMHKHESXSA-N 506.603 4.237 10 10 KICE CCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(F)c2)[C@@H]1c1ccc(O)c(O)c1 1864014957 HAXYTQLHDQXPOH-SFHVURJKSA-N 520.483 4.111 10 10 KICE CCCCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2CC(C)C)[C@H]1c1ccc(O)c(O)c1 1864017370 KNRWIHZZCKYGOO-JOCHJYFZSA-N 506.603 4.237 10 10 KICE CCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC(C)C)=C(N)O2 1864019501 KMXFRNRCXUMZDS-QFIPXVFZSA-N 527.021 4.125 10 10 KICE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@@H](C)C1)=C(N)O2 1865030251 GUXPHNWSYOKUMA-DYLHXGEVSA-N 546.668 4.242 10 10 KICE C[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867420874 LMKUZEWIIWJZFN-XJFCNFDWSA-N 595.744 4.053 10 10 KICE CCc1ccc(-c2nc(CC(=O)N[C@H](CCSC)C(=O)N3CCN(c4ccc(OC)cc4)CC3)c(C)o2)cc1 1868988914 XFDRVQHDIGYDMV-AREMUKBSSA-N 550.725 4.350 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)c3nc(C(F)(F)F)n4ccccc34)CC2)cc1 1869060284 NQMATUHDIGRPHY-HSZRJFAPSA-N 569.559 4.191 10 10 KICE CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccc(F)cc3)C2=O)ccc1O[C@H](CC)C(=O)O 2314933957 FMSZTLIFODTQJP-MRXNPFEDSA-N 504.561 4.013 10 10 KICE CCCCCN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(C)c2N2CCN(Cc3ccccc3)CC2)SC1=S 105468309 LEVRFLCNWLFVHS-JJIBRWJFSA-N 535.739 4.279 10 10 KICE NC1=C(C(=O)NC2CCCC2)[C@@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(Cc3ccccc3F)c2O1 1864022946 SIZJVBZKGGJRPL-IBGZPJMESA-N 532.494 4.254 10 10 KICE CCCC[C@H](NC(=O)c1cc(-c2cccnc2)[nH]n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867159998 JTMPZCJELKOLRB-QFIPXVFZSA-N 507.550 4.174 10 10 KICE Cc1ccc(N2C(=O)c3ccc(C(=O)NCC(=O)NC[C@H](c4ccc(N(C)C)cc4)N4CCCCC4)cc3C2=O)c(C)c1 1867539257 IPNFROCGRGRPMA-SSEXGKCCSA-N 581.717 4.243 10 10 KICE CCCc1nc(N2CCN(Cc3cccc(C)c3)CC2)cc(N2CCN(c3ccc(OC)cc3)CC2)n1 1867976295 HYNLYGWYZINAOW-UHFFFAOYSA-N 500.691 4.395 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)[C@@H](Cc3ccncc3)c3ccccc3)CC2)cc1 1868673445 NKMDKVXCWOOPQZ-NSOVKSMOSA-N 532.710 4.003 10 10 KICE Cc1ccc(OCCOc2ccc(C=C3C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2Cl)c(C)c1 2297345194 BBLDPSIEXQEDGK-UHFFFAOYSA-N 533.031 4.036 10 10 KICE O=S(=O)(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cc(Br)ccc1O)N2 20696427 OACYRSBTFXIYPG-GDEXEMPNSA-N 505.434 4.439 10 10 KICE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCCOc4ccc(C)cc4C)c(Cl)c3)C(=N)N21 101395721 XSBHHMXDGSOUSR-ACKDDNJSSA-N 547.058 4.426 10 10 KICE CCOc1cc(/C=C2\C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)ccc1OCc1ccc(F)cc1 103607537 FLZWNXOTGGBYMU-ZXLLOHKYSA-N 535.601 4.435 10 10 KICE C[C@H](N1C(=O)NC(=O)/C(=C/c2cc3c(cc2Br)OCO3)C1=O)C12CC3CC(CC(C3)C1)C2 108862989 JQAVWIXITCNQEF-FRQQGYLBSA-N 501.377 4.245 10 10 KICE COc1cccc(OCC(=O)Nc2cccc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)n2)c1 1860557940 DYDCMQJCRBVGGL-UHFFFAOYSA-N 507.502 4.135 10 10 KICE COc1ccc([C@@H](C)NC(=O)C2=C(N)Oc3c(c(C)nn3Cc3ccccc3)[C@@H]2c2ccc(O)c(O)c2)cc1 1864008032 AFMXGGATVHJMIZ-QUGAMOGWSA-N 526.593 4.232 10 10 KICE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)NC2CCCCCC2)[C@H]3c2ccc(O)c(O)c2)cc1 1864008279 HJVLPILZEIGDHB-VWLOTQADSA-N 502.615 4.493 10 10 KICE CC[C@@H](C)NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(F)c2)[C@@H]1c1ccc(O)c(O)c1 1864015141 KCUIMKZSSODKSD-XIKOKIGWSA-N 520.483 4.110 10 10 KICE CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOc3ccccc31)=C(N)O2 1865030002 ZVMRLAFZNNYLEB-AREMUKBSSA-N 538.604 4.415 10 10 KICE CCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N([C@@H](Cc1ccccc1)C(=O)O)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867629991 QWWWMGQMEYJANH-ZDCRTTOTSA-N 667.807 4.286 10 10 KICE CCC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867919760 GPUSZCZMGILZCS-IHLOFXLRSA-N 599.732 4.384 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCO[C@H](c5ccncc5)C4)nc(-c4ccccc4)n3)CC2)cc1 1869205441 UWUFNMNNSPIPLW-MHZLTWQESA-N 508.626 4.452 10 10 KICE CCN1CCN(c2nc3ccc(C)cn3c(=O)c2C=C2SC(=S)N([C@@H](C)c3ccccc3)C2=O)CC1 2297312647 JFXLXGFAHSWJGR-IBGZPJMESA-N 519.696 4.107 10 10 KICE O=C(CSc1n[nH]c(=NC2=NC(=O)C(=Cc3ccc(Cl)cc3)S2)s1)Nc1ccc(C(=O)O)cc1 2314952310 ZUKJQHPYAKKYCJ-UHFFFAOYSA-N 532.028 4.125 10 10 KICE CCCC[C@@H](NC(=O)C=Cc1ccc(OCC)c(OC)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2330611562 ZOZOMOYJSMTXBM-RUZDIDTESA-N 509.647 4.140 10 10 KICE CCOc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC)cc(Cl)c1OCc1ccccc1 104560748 KYOGCROJFIEMSR-SSOZYACPSA-N 533.031 4.329 10 10 KICE CCCOc1ccc([C@@H]2N[C@](CCSC)(C(=O)O)[C@@H]3C(=O)N(Cc4ccc5c(c4)C(=O)c4ccccc4C5=O)C(=O)[C@@H]23)cc1 107462549 BBEVPNZXTMUCNS-CBZWUMFZSA-N 612.704 4.273 10 10 KICE CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(N(CC)CC)cc3OC)c(=O)n2[C@H]1c1ccc(OC)cc1OC 150441125 KNKIBWMKGWSLMT-IYVASWNSSA-N 644.588 4.433 10 10 KICE CCCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(O)CC1)=C(N)O2 1865031079 YKPQHTKRSYJNKI-SANMLTNESA-N 540.620 4.067 10 10 KICE CSCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(C(C)(C)C)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867511885 DAGYSDXUXACGAT-WUFINQPMSA-N 607.821 4.342 10 10 KICE COCCCN1[C@@H](C)CN(c2cc(Nc3cccc4c3C(=O)c3ccccc3C4=O)nc(CCOC)n2)C[C@@H]1C 1868254272 KCYLRPWAJVULSJ-SFTDATJTSA-N 543.668 4.120 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)c3nc(C(F)(F)F)n4ccccc34)CC2)cc1 1869068044 BGJWWFIRPDUDII-HSZRJFAPSA-N 551.569 4.052 10 10 KICE CCOC(=O)c1ccc(CN2C(=O)C(NCCCOC)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873165740 SHSBOLQVQBKABB-UHFFFAOYSA-N 515.610 4.177 10 10 KICE CC[C@H](C)N1C(=O)C(=Cc2c(N3CCN(c4ccccc4F)CC3)nc3ccc(C)cn3c2=O)SC1=S 2296331034 CQWNMVTZCRHLSH-SFHVURJKSA-N 537.686 4.468 10 10 KICE CS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)C(=O)N=C2S1 2297345887 KRUQXUUHNUSHMW-UHFFFAOYSA-N 509.396 4.194 10 10 KICE CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=N)N4N=C(CC(=O)N5CCCCC5)SC4=NC3=O)o2)cc1 102481994 ABEDZODYSSUXCB-ZHIXYLIPSA-N 519.583 4.145 10 10 KICE CCCCn1c(N2CCN(CC)CC2)c(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)c(C)c(C#N)c1=O 110528898 WBGBLYYRGFWVFT-MYYYXRDXSA-N 579.748 4.101 10 10 KICE CC(C)c1nc2c(Cl)cc(C(F)(F)F)cn2c1/C=C1/SC(=S)N([C@H](CCC(N)=O)C(=O)O)C1=O 1858592830 YPBUKFMBJARDTR-XXLSNGBASA-N 534.969 4.050 10 10 KICE CCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(OC(C)(C)C)cc1)=C(N)O2 1864018079 CCVMVYFHVIRUIV-QFIPXVFZSA-N 506.603 4.065 10 10 KICE CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCC1)=C(N)O2 1864018231 GGQDXSSOHWGSTM-QHCPKHFHSA-N 506.578 4.188 10 10 KICE CCCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCC1)=C(N)O2 1865030046 AZOANGHZWLVBCX-HSZRJFAPSA-N 506.578 4.141 10 10 KICE CCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(C)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867876820 HGOVAPMDJJERFY-AOYPEHQESA-N 509.651 4.211 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)CC2)cc1 1868825526 RSNOCTHNNCKXSQ-IARZGTGTSA-N 519.592 4.153 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCCCCN3CCCC3)C(=O)N(CCCOC(C)C)C2=O)cc1 1873167494 JZDLLTUYYDKIIX-UHFFFAOYSA-N 506.691 4.455 10 10 KICE Cc1ccc(CN2C(=O)C(=Cc3c(NCCCn4ccnc4)nc4c(C)cccn4c3=O)SC2=S)cc1 2040466696 LNDNJQGFKLZTHE-UHFFFAOYSA-N 530.679 4.411 10 10 KICE CCOc1cc(C=C2C(=O)NN(c3ccccc3)C2=O)ccc1OCCOCCOc1ccc(C)cc1 2293535053 SRDQKCMGYWECHK-UHFFFAOYSA-N 502.567 4.330 10 10 KICE COc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc(Cl)c(C(=O)O)c4)c3C)C(=O)NC2=S)c(OC)c1 2294265293 CGMGFLADZMFIHC-UHFFFAOYSA-N 539.997 4.294 10 10 KICE N=C1C(=Cc2cn(Cc3ccccc3F)c3ccccc23)C(=O)N=C2SC(CC(=O)N3CCCC3)=NN12 2296063137 NCYRVWOHWBQKLH-UHFFFAOYSA-N 514.586 4.460 10 10 KICE Cc1cc(OCCCOc2ccc(C=C3C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2)ccc1Cl 2297346021 WYIDZVIFRSWQEC-UHFFFAOYSA-N 533.031 4.118 10 10 KICE COc1ccc(CN2C(=O)/C(=C\c3c(NC[C@H]4CCCO4)nc4c(C)cccn4c3=O)SC2=S)cc1 33671634 BSYZJALUWAPZIM-DBRLUCFCSA-N 522.652 4.004 10 10 KICE CCOc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCCSc1ccc(C)cc1 104557949 CRVMVNNYJGKSON-MRKXPFMVSA-N 544.680 4.186 10 10 KICE CCCC[C@@H](CC)CN1C(=O)/C(=C/c2c(N3CCN(C(=O)OCC)CC3)nc3ccccn3c2=O)SC1=S 105444949 VWEQLHWJIPBVTF-JUJXNAJKSA-N 557.742 4.391 10 10 KICE CCOC(=O)c1c(NC(=O)C(=O)N[C@H](C(=O)O)[C@H](C)CC)sc(C)c1-c1ccc(Br)cc1 1860758254 IGSZTHDLDDPCKG-DIFFPNOSSA-N 525.421 4.217 10 10 KICE CC(=O)Oc1ccc(C[C@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867828846 WVADDVLPOZZCLJ-IOWSJCHKSA-N 646.701 4.179 10 10 KICE COc1ccc(CCN2C(=O)/C(=C\c3c(NC(C)C)nc4c(C)cccn4c3=O)SC2=S)cc1OC 2345954 FRHCTCQZDMXGCK-KGENOOAVSA-N 524.668 4.284 10 10 KICE COc1ccc(N2CCN(C(=O)c3oc4ccccc4c3NC(=O)Cc3cccc([N+](=O)[O-])c3)CC2)cc1 20900496 IEIJMQSZKZWGKD-UHFFFAOYSA-N 514.538 4.493 10 10 KICE CCOC(=O)N1CCN(c2nc3ccc(C)cn3c(=O)c2/C=C2/SC(=S)N([C@@H](C)c3ccccc3)C2=O)CC1 100849825 CRDPSNISBFIUHH-QZMYASAMSA-N 563.705 4.244 10 10 KICE CS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(OCCOc4ccc(Cl)cc4)c(Cl)c3)C(=O)N=C2S1 101398018 TUCBXHGIOLRVIW-MGGLCJOQSA-N 539.422 4.072 10 10 KICE CC[C@H](C)N1C(=O)/C(=C\c2c(N3CCN(c4ccc(OC)cc4)CC3)nc3ccc(C)cn3c2=O)SC1=S 103650938 LNMQONSXVCQTPD-LKZQPVPRSA-N 549.722 4.338 10 10 KICE CCOc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc(Cl)c1OCc1ccccc1F 104558320 MYIQCPPKXDIJOT-SIJPIJEQSA-N 536.994 4.078 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4cccc(C(=O)OCC)c4)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 725390999 YAXRESCDCVWZOM-MUUNZHRXSA-N 585.682 4.301 10 10 KICE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(CC)CC)=C(N)O2 1864011247 SEOMCJUNJZYBGE-QHCPKHFHSA-N 540.064 4.042 10 10 KICE CC(C)NC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2F)[C@H]1c1ccc(O)c(O)c1 1864016714 VZDFBXFMZCRHQZ-HSZRJFAPSA-N 514.557 4.368 10 10 KICE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N[C@@H]1CCCC[C@@H]1C)[C@@H]2c1ccc(O)c(O)c1 1864022587 PNBNLYJYYPPPMI-JCKWVBRZSA-N 508.541 4.359 10 10 KICE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1cccc(C)c1 1865564651 BIEZNBPJMWUOTA-OAQYLSRUSA-N 541.574 4.282 10 10 KICE Cc1ccc([C@H](CC(=O)N[C@H](CO)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C2CC2)cc1C 1866723868 KPLXKBXTVVAEMX-AOYPEHQESA-N 510.590 4.078 10 10 KICE CC(C)(NC(=O)[C@@H]1CCCN1Cc1ccccc1F)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866910698 AEKLTIPZJYRUQW-DEOSSOPVSA-N 513.569 4.099 10 10 KICE CC[C@](C)(NC(=O)[C@H](Cc1ccccn1)c1ccccc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868667610 KJVUPLFEKFIZSE-OFSOJUDTSA-N 500.643 4.050 10 10 KICE CCCC[C@H](NC(=O)C[C@@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868692807 GMFJTWIDNCXZPO-SXOMAYOGSA-N 535.685 4.374 10 10 KICE CCCCCCn1cc(OCCCC(=O)OCC)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870372901 VWPBRFMAJBQUNP-UHFFFAOYSA-N 513.679 4.482 10 10 KICE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCc1ccc(C(=O)O)cc1 2294130999 RTPMMIUZEAXSAD-UHFFFAOYSA-N 551.349 4.401 10 10 KICE CC[C@@H](C)N1C(=O)C(=Cc2c(N3CCN(c4ccc(OC)cc4)CC3)nc3ccccn3c2=O)SC1=S 2296696659 IBODOQVJHLXDFF-GOSISDBHSA-N 535.695 4.029 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc(C(=O)OCC)cc4)c3C)c(=O)n2[C@@H]1c1cccs1 254757541 WQUODEBJRNFRLV-AREMUKBSSA-N 575.712 4.444 10 10 KICE O=C(CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)NC[C@@H]1CCCN2CCCC[C@@H]12 1615156327 WUVLKQNDVAPGRX-LVXARBLLSA-N 509.654 4.345 10 10 KICE Cc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCc3ccccc31)=C(N)O2 1865026562 PTKAAUXREXQLDB-AREMUKBSSA-N 526.568 4.464 10 10 KICE CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(CCC)nn2-c2ccccc2Cl)[C@@H]1c1ccc(O)c(O)c1 1865028893 ALOOJMIHELXUSB-QHCPKHFHSA-N 541.048 4.205 10 10 KICE Cc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1CCO)=C(N)O2 1865028974 CMUBELYZJUMTPP-KDYSTLNUSA-N 540.620 4.203 10 10 KICE NC1=C(C(=O)N2CCCCC2)[C@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3ccccc3)c2O1 1865032048 UNULXYRWRNWSHW-GOSISDBHSA-N 500.477 4.009 10 10 KICE Cc1cc([C@H](CC(=O)N[C@H](CO)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C(C)C)ccc1F 1866766043 KIRJGAVAVIFLPJ-RCZVLFRGSA-N 516.569 4.155 10 10 KICE CC[C@H](NC(=O)c1cccc(Br)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867411652 AZCHIEXFQSSQSJ-BJKOFHAPSA-N 515.496 4.367 10 10 KICE CC[C@](C)(NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867846663 AGAFKKPGIGPFNF-LSYYVWMOSA-N 554.648 4.119 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3cc(-c4ccc(F)c(F)c4)[nH]n3)c3ccccc3)CC2)cc1 1868934095 AHFRGYDYMVBJSU-MHZLTWQESA-N 531.563 4.183 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)c4c(OC)cccc4OC)n(-c4ccc(C)cc4)n3)CC2)cc1 1869970860 YKIGFOMHWDOPDK-UHFFFAOYSA-N 528.613 4.180 10 10 KICE CCOCCCN=c1nc(Nc2ccc(Cl)c(C)c2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871661997 MQSKIRVNATUHSR-UHFFFAOYSA-N 512.058 4.173 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCCCn3ccnc3)C(=O)N(CCOc3ccccc3)C2=O)cc1 1873167967 DZTCJBRHNLPBOT-UHFFFAOYSA-N 509.610 4.129 10 10 KICE CC(=O)NCCN1C(=O)C(Nc2ccc(N3CCCCC3)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422100 GGVNFYKVFRPZIH-UHFFFAOYSA-N 525.653 4.413 10 10 KICE Cc1cc(C=C2C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)c(C)n1-c1cccc(Br)c1 2296073643 PUPCVQATZPHRFE-UHFFFAOYSA-N 539.459 4.488 10 10 KICE CCC[C@@H](NC(=O)C=C(C)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 2331916278 ZQROQMXRVXSYLL-AREMUKBSSA-N 573.671 4.039 10 10 KICE O=C1/C(=C/c2ccc(F)cc2)SC(=S)N1CCC(=O)N(Cc1c(F)cccc1Cl)[C@H]1CCS(=O)(=O)C1 101283093 FKCHQMFBZDMJSX-WCEBZYJUSA-N 571.092 4.425 10 10 KICE COc1cc2c(cc1OC)CN(C(=O)[C@@H]1C[C@H](NCc3ccc(N(C)C)cc3)CN1Cc1ccccc1)CC2 102529069 YBEBVLVMRYJFCK-YTMVLYRLSA-N 528.697 4.087 10 10 KICE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1F 102837602 ZUSODIYMQVIMBK-MEGCXXLRSA-N 543.667 4.465 10 10 KICE Cc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCc1ccccc1)=C(N)O2 1864012114 ROOLJLJIIXEFDS-AREMUKBSSA-N 528.584 4.234 10 10 KICE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NCCC(C)C)[C@@H]2c1ccc(O)c(O)c1 1864017484 NHPLVCUUAQTHJU-JOCHJYFZSA-N 506.603 4.237 10 10 KICE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)CC)=C(N)O2 1864018027 ASZQKHFHOWDSKG-ZSEKCTLFSA-N 514.985 4.307 10 10 KICE Cc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOc3ccccc31)=C(N)O2 1865025634 AXMNWKFMPZKMGA-RUZDIDTESA-N 544.995 4.425 10 10 KICE CCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@@H](C)C1)=C(N)O2 1865033231 VCUIJPZOPGKWNW-NXMSCROESA-N 502.615 4.104 10 10 KICE COc1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867319097 UACLJKUDFKXJPX-LOYHVIPDSA-N 528.697 4.446 10 10 KICE Cc1ccc(CN2C(=O)C(=Cc3c(N4C[C@@H](C)O[C@H](C)C4)nc4c(C)cccn4c3=O)SC2=S)cc1 2040467048 UHYAQIVTQDGDKM-RTBURBONSA-N 520.680 4.326 10 10 KICE CCOc1cc(C=C2C(=N)N3N=C(C)SC3=NC2=O)ccc1OCCOc1ccc(NC(C)=O)cc1 2297347319 HCKYMEQHKUALOK-UHFFFAOYSA-N 507.572 4.141 10 10 KICE O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C\c1cc(Br)ccc1OCc1ccc(C(=O)O)cc1 101677276 JMEGGAPTSWGCBN-GRSHGNNSSA-N 565.332 4.121 10 10 KICE Cc1ccc(CNc2nc3ccc(C)cn3c(=O)c2/C=C2/SC(=S)N(C[C@H]3CCCO3)C2=O)cc1 102683645 JTOWINQKZXSGJS-MRUVXERFSA-N 506.653 4.304 10 10 KICE Cc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cccs1)=C(N)O2 1864012020 PHRVHYBUFPVBHB-HSZRJFAPSA-N 537.041 4.419 10 10 KICE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCC(C)C)=C(N)O2 1864013265 UNZZNMYKTJYISI-XMMPIXPASA-N 504.631 4.460 10 10 KICE Cc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)Cc1ccccc1)=C(N)O2 1865026527 OXMCFWGNVFDAGV-VWLOTQADSA-N 514.557 4.143 10 10 KICE CCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1C)=C(N)O2 1865035147 MJAXZNMMYBILIV-WAIKUNEKSA-N 506.578 4.140 10 10 KICE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC1)=C(N)O2 1865035262 POSZGOHKXKFJSU-NRFANRHFSA-N 512.969 4.015 10 10 KICE COC(=O)c1c(NC(=O)[C@H](CCS(C)(=O)=O)N2C(=O)c3ccccc3C2=O)sc(C)c1-c1ccc(Br)cc1 1865988879 QCXKUHOUTYRIFE-IBGZPJMESA-N 619.515 4.311 10 10 KICE COc1cccc(OC)c1C(=O)N[C@@H](Cc1ccc(OC(C)=O)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867363017 FSDCMTMRBIAXOJ-KYJUHHDHSA-N 616.759 4.380 10 10 KICE CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CC(=O)N3CC(C)(C)c4ccccc4[C@H]3C2)n1 1869138781 UVLPNGLYQLGHNF-AREMUKBSSA-N 526.685 4.055 10 10 KICE CCC(=CC(=O)N[C@H](CCSC)C(=O)N1CCN(c2ccc(OC)cc2)CC1)c1ccc(OC)cc1 2329515076 KGYMPPCNUZENSB-AREMUKBSSA-N 511.688 4.084 10 10 KICE CCCn1c(N2CCN(C)CC2)c(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)c(C)c(C#N)c1=O 33812613 RTEGXOZWEAUQQA-QSSXUJFUSA-N 521.712 4.153 10 10 KICE COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cc(Br)c1OCC(=O)N1CCCCC1 101743581 ZJIGSMCMVHZIPP-XSFVSMFZSA-N 590.521 4.395 10 10 KICE CCc1cccc(CC)c1N1C(=O)[C@@H]2[C@H](c3cccc(OC)c3O)N[C@](Cc3ccccc3)(C(=O)O)[C@@H]2C1=O 247938563 VXQWKRAVMUGLJR-OSYMNAPVSA-N 528.605 4.042 10 10 KICE CCCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)c1ccc3c(c1)CCCC3)=C(N)O2 1864013702 ZCQVDUODLISPDD-GYCJOSAFSA-N 502.615 4.235 10 10 KICE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCOc3ccccc31)[C@@H]2c1ccc(O)c(O)c1 1865032191 XNSDRHIHVVKGSR-XMMPIXPASA-N 524.577 4.492 10 10 KICE CCCC[C@H](NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867805606 RSWAPDBHYPRIKN-AHWVRZQESA-N 569.703 4.310 10 10 KICE CC(=O)Oc1ccc(C[C@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867828844 WVADDVLPOZZCLJ-CONSDPRKSA-N 646.701 4.179 10 10 KICE COc1ccc(N2CCN(c3nc(=NCc4cccc(C)c4)[nH]c(=Nc4cc(C)ccc4C)[nH]3)CC2)cc1 1871669692 LVVUKMWPBQZXAD-UHFFFAOYSA-N 509.658 4.332 10 10 KICE CCCn1c(C(=O)Nc2ccc(OC)cc2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873649905 BMODAQYJRPYXIX-UHFFFAOYSA-N 500.603 4.437 10 10 KICE [N-]=[N+]=NCc1cc(I)cc(I)c1I 1951370199 XHFYUHDRZGOLCA-UHFFFAOYSA-N 510.842 4.311 10 10 KICE CCOC(=O)CC1=NN(c2ccccc2)C(=O)C1=c1sc(=C2C=Cc3ccccc3N2CC)c(=O)n1-c1ccccc1 2297708300 UFJQQGSOIUMAPG-UHFFFAOYSA-N 576.678 4.067 10 10 KICE COc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc([N+](=O)[O-])cc4C)c3C)C(=O)NC2=S)c(OC)c1 2313543807 KUHZOHGYEBUUCC-UHFFFAOYSA-N 520.567 4.159 10 10 KICE CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)ccc1O[C@H](C)C(=O)O 2314935531 PTMHRDADRVTODX-GFCCVEGCSA-N 551.440 4.246 10 10 KICE COc1ccc(CN2C(=O)/C(=C\c3c(N4C[C@H](C)O[C@@H](C)C4)nc4c(C)cccn4c3=O)SC2=S)cc1 100851113 HYCJNHNIBLDQHY-KJPLNJQOSA-N 536.679 4.027 10 10 KICE Cc1cccc(C)c1OCCOc1ccc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)cc1 104562948 UJXHQXLKPDYGNK-RDJYZGLESA-N 526.640 4.161 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)CCCOc3ccccc3)CC2)cc1 1862224013 NYMWZORKVKWTTB-NDEPHWFRSA-N 519.617 4.070 10 10 KICE COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCc2cccc(Cl)c2)[C@H]3c2ccc(O)c(O)c2)cc1 1864007704 SJPNDBRLYFVXNF-DEOSSOPVSA-N 532.984 4.265 10 10 KICE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(F)cc1)=C(N)O2 1864010202 JYXIWUNXHKZKPU-RUZDIDTESA-N 528.584 4.429 10 10 KICE Cc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOc1ccccc1)=C(N)O2 1864012109 RGLNGUNTGNDCSZ-VWLOTQADSA-N 547.011 4.194 10 10 KICE COc1cc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C3CCN(C)CC3)C2=O)cc(OC)c1 1873427223 HSZSIPVHNHZQQO-UHFFFAOYSA-N 514.626 4.398 10 10 KICE Cc1cccn2c(=O)c(C=C3SC(=S)N(C4CCCC4)C3=O)c(N3CCN(Cc4ccccc4)CC3)nc12 2295998948 OSXDOBCZNXAIDE-UHFFFAOYSA-N 545.734 4.469 10 10 KICE CCN1C(=O)C(=Cc2cc(C)n(-c3ccc([N+](=O)[O-])cc3C)c2C)c2cc(S(=O)(=O)N3CCOCC3)ccc21 2297509050 OLWPHQFXZUPAKJ-UHFFFAOYSA-N 550.637 4.239 10 10 KICE Cc1ccc(C=C2SC(=S)N(CC(=O)N(Cc3ccc(N(C)C)cc3)C[C@H]3CCCO3)C2=O)cc1 2314627705 XWPUNHVDVDFKMG-HSZRJFAPSA-N 509.697 4.470 10 10 KICE COc1ccc(C2=NN(C(=O)CN3C(=O)C(=O)c4cc(Cl)ccc43)[C@@H](c3ccc(N(C)C)cc3)C2)cc1 72413248 XOERDNSTWDBNQE-RUZDIDTESA-N 516.985 4.322 10 10 KICE Cc1ccc(/C=C2/SC(=S)N(CCC(=O)N(Cc3sccc3C)[C@H]3CCS(=O)(=O)C3)C2=O)cc1 207325206 QLMKHXXSUHPECQ-XAJRUKRBSA-N 534.750 4.172 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc(C(=O)OCC)cc4)c3C)c(=O)n2[C@@H]1c1cc(OC)ccc1OC 254321283 ZVXBGGPLJBVXBJ-SSEXGKCCSA-N 629.735 4.400 10 10 KICE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cccs1)=C(N)O2 1864007140 GQSHAGHSPWSBAH-JOCHJYFZSA-N 523.014 4.360 10 10 KICE Cc1cccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3Cc3ccc(F)cc3)[C@H]2c2ccc(O)c(O)c2)c1 1864011514 IUSOBWVGYYQHJK-RUZDIDTESA-N 514.557 4.110 10 10 KICE Cc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCCC1)=C(N)O2 1864012193 UHSHJNZWFQMEJH-XMMPIXPASA-N 506.578 4.324 10 10 KICE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccncc1)=C(N)O2 1864019218 WLWHMVCXYSLQOU-HSZRJFAPSA-N 549.990 4.104 10 10 KICE CCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)C1CCCCC1)=C(N)O2 1865033049 QLOKQNVZCRVLTF-XMMPIXPASA-N 502.615 4.391 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3cc(C4CC4)n4nc(C5CC5)cc4n3)c3ccccc3)CC2)cc1 1868983530 AFIAUQRFIUCFLY-PMERELPUSA-N 550.663 4.313 10 10 KICE Cc1ccc(N2C(=O)C(=Cc3cn(CC(=O)NCc4cccs4)c4ccccc34)C(=O)NC2=S)cc1C 2297463422 ZPAVGHWBDVQFDE-UHFFFAOYSA-N 528.659 4.467 10 10 KICE C[C@H](C(=O)Nc1ccc(C(=O)O)cc1)N1C(=O)/C(=C/c2cc(Br)ccc2O)SC1=S 15047324 ABXQHXFNLSKNTA-MQHRVFIMSA-N 507.387 4.081 10 10 KICE CCOCCCN1C(=O)/C(=C\c2c(NCc3ccc(OC)cc3)nc3c(C)cccn3c2=O)SC1=S 33897760 LIYNHGYEZBVLEW-RCCKNPSSSA-N 524.668 4.251 10 10 KICE CCOc1cc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OC(=O)c1ccc(C(C)C)cc1 101397885 USIOLPCFJSKSFM-SREDRKHISA-N 540.623 4.049 10 10 KICE Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@](Cc2ccc([N+](=O)[O-])cc2)(C(=O)O)N[C@H]3c2ccc(N(C)C)cc2)cc1Cl 102479778 LPGSDSYZOYJGBN-JLMYGFKKSA-N 563.010 4.139 10 10 KICE Oc1cc(O)c2c(c1)O[C@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@H]2[C@@H]1O)O[C@@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]4c1c(O)cc(O)c2c1O[C@@H](c1ccc(O)c(O)c1)[C@@H](O)C2 229761460 BYSRPHRKESMCPO-BFOYKXTISA-N 864.765 4.242 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3ccccc3Br)c3ccccc3)CC2)cc1 1861915727 UETZWBJCEGBECU-DEOSSOPVSA-N 508.416 4.278 10 10 KICE Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCC(C)C)=C(N)O2 1864007236 IFLVUBDPJIUMDI-FQEVSTJZSA-N 503.386 4.366 10 10 KICE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCCCN1CCCC1)[C@@H]2c1ccc(O)c(O)c1 1864015903 GEYSJCJDCFBMTK-XMMPIXPASA-N 531.657 4.058 10 10 KICE C[C@@H]1CCCN(C(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3Cc3ccccc3)[C@H]2c2ccc(O)c(O)c2)C1 1865033880 JQAXTECCTDVVAU-FOIQADDNSA-N 528.531 4.315 10 10 KICE C[C@@H](NC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867527226 BGGXGUZYTVCXOK-KPURRNSFSA-N 567.690 4.015 10 10 KICE CC[C@H](C)N1C(=O)c2ccc(C(=O)N[C@H](CCSC)C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O 1867591036 PAFUQZCBQIOSQE-UNUDWIFVSA-N 607.821 4.342 10 10 KICE CC[C@@H](NC(=O)c1ccccc1SCC(=O)NCC1CCCCC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868600658 BMYQDJXOALOSDP-HHHXNRCGSA-N 566.768 4.341 10 10 KICE COc1ccc(N2CCN(c3nc(=NC(=O)c4ccc(Cl)cc4)n(-c4ccc(C)cc4)[nH]3)CC2)cc1 1869969394 BEUHGKWWKRFOSV-UHFFFAOYSA-N 503.006 4.239 10 10 KICE CCN(CC)CCOC(=O)c1ccc(NC(=O)CCN2C(=O)C(=Cc3ccc(OC)cc3)SC2=S)cc1 2297319458 RKGRVQGVHHYWIH-UHFFFAOYSA-N 541.695 4.424 10 10 KICE Cc1ccc(-n2c(C)cc(/C=C3/C(=O)N(C)c4ccc(S(=O)(=O)N5CCOCC5)cc43)c2C)cc1C 33592346 OBARBTCCVHBVPV-WGOQTCKBSA-N 505.640 4.249 10 10 KICE CCCn1c(N2CCCC2)c(/C=C2\SC(=S)N(Cc3ccc(OC)cc3)C2=O)c(C)c(C#N)c1=O 39990013 NMTZMEWWYLECRJ-HMAPJEAMSA-N 508.669 4.449 10 10 KICE C[C@H]1CN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(Cc3ccccc3Cl)C2=O)C[C@@H](C)O1 100851191 NXSNNHXODKETCC-NKFAACEZSA-N 527.071 4.363 10 10 KICE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCCOc4cc(C)cc(C)c4)c(Cl)c3)C(=N)N21 101395724 BRKHQUXJCCDMOX-JZSRTLTASA-N 547.058 4.426 10 10 KICE CCOc1ccc(N2C(=O)/C(=C\c3cc(CN4C(=O)c5ccccc5C4=O)c(OC)cc3OC)C(=O)N=C2S)cc1 102547459 MACYVQCATIQWOR-UCQKPKSFSA-N 571.611 4.141 10 10 KICE O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCCC3)c2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 150449537 XCLYGXWXSSCAQZ-BQHBAAMWSA-N 628.823 4.102 10 10 KICE COc1ccc(CCN2C(=O)/C(=C/c3c(N4CCN(Cc5ccc6c(c5)OCO6)CC4)nc4ccccn4c3=O)SC2=S)cc1 150624430 DUKXMFFXUPJUOB-USHMODERSA-N 641.775 4.198 10 10 KICE CCOC(=O)CC1=NN(c2ccccc2)C(=O)C1=c1sc(=C2Sc3ccc(Cl)cc3N2C)c(=O)n1Cc1ccccc1 252667120 CTNGUGAURMSAIE-UHFFFAOYSA-N 617.152 4.426 10 10 KICE CC[C@@H](C)NC(=O)C1=C(N)Oc2c(c(C)nn2Cc2c(F)cccc2Cl)[C@H]1c1ccc(O)c(O)c1 1864009703 KOZRGCUVLAIYCR-XUSGNXJCSA-N 500.958 4.053 10 10 KICE Cc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(F)cc1)=C(N)O2 1864012107 RFARIZVICOUGLC-VWLOTQADSA-N 549.002 4.497 10 10 KICE CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(OC)cc1)=C(N)O2 1864016899 AAXPRRXLPKBKBX-SANMLTNESA-N 540.620 4.216 10 10 KICE CCc1nn(CC(C)C)c2c1[C@@H](c1ccccc1OC)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865593596 ZHJNMECCIIIQOQ-AREMUKBSSA-N 545.684 4.162 10 10 KICE C[C@H](NC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867525968 XFPGTTNHMKBNEM-ZTOMLWHTSA-N 573.738 4.143 10 10 KICE CCCn1cc(OCC(=O)Nc2cccc(C)c2C)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870750666 NLMIXWUESKRLKD-UHFFFAOYSA-N 518.658 4.223 10 10 KICE N=C1C(=Cc2ccccc2OS(=O)(=O)c2ccccc2)C(=O)N=C2SC(COc3ccccc3)=NN12 2293163825 KYDCWFAUSSEUSI-UHFFFAOYSA-N 518.576 4.152 10 10 KICE CCOc1cc(C=C2C(=N)N3C(SC)=NSC3=NC2=O)ccc1OCCOc1ccccc1OC 2297341046 KDGVHLFIVRFCFD-UHFFFAOYSA-N 512.613 4.491 10 10 KICE COc1ccc(CCN2C(=O)C(=Cc3c(N4C[C@H](C)O[C@H](C)C4)nc4c(C)cccn4c3=O)SC2=S)cc1OC 2314400188 KNBFAFNWTJWMIX-KDURUIRLSA-N 580.732 4.078 10 10 KICE Cc1ccc2nc(N3CCC[C@@H](C)C3)c(C=C3SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(=O)n2c1 2314413750 GSEMUEYTKKDXOZ-GOSISDBHSA-N 586.743 4.443 10 10 KICE CC[C@@H](C)Oc1c(I)cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1OC 103849767 FDIBJYGNCBKAJR-GFQQVXNGSA-N 554.381 4.448 10 10 KICE CCCC[C@@H](NC(=O)c1cc(CC)n(Cc2ccccc2)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861905083 OLAVYVLHGBVSEB-HHHXNRCGSA-N 517.674 4.140 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3ccccc3Br)c3ccccc3)CC2)cc1 1861915728 UETZWBJCEGBECU-XMMPIXPASA-N 508.416 4.278 10 10 KICE Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1Cl)=C(N)O2 1864007883 WWNXLBHNUSTDKY-QHCPKHFHSA-N 502.958 4.256 10 10 KICE Cc1ccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3Cc3cccc(F)c3)[C@H]2c2ccc(O)c(O)c2)cc1 1864012028 PLJXNBTYWBUQKA-RUZDIDTESA-N 514.557 4.110 10 10 KICE CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1ccc(OCC)cc1 1865275672 DUUBGNJSPSZDTH-AREMUKBSSA-N 531.657 4.052 10 10 KICE CC[C@](C)(NC(=O)c1ccc2c(c1)C(=O)N(CC(C)C)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867424193 XXBWQHSKODYWIY-YDYNHKSESA-N 575.754 4.247 10 10 KICE CN(C)c1ccc([C@H](CNC(=O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2Cl)C3=O)N2CCCCC2)cc1 1867586251 GQVKJAUKGLVMNX-NDEPHWFRSA-N 588.108 4.280 10 10 KICE CCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N([C@H](Cc1ccccc1)C(=O)O)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867629989 QWWWMGQMEYJANH-WIHCDAFUSA-N 667.807 4.286 10 10 KICE COc1cc(C(=O)N[C@H](C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c2ccccc2)c([N+](=O)[O-])cc1OC 1867804842 LNRPYJIFWCRPHI-OFSOJUDTSA-N 589.693 4.493 10 10 KICE CN(C)c1ccc([C@H](CNC(=O)[C@@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c2ccccc2)N2CCCCC2)cc1 1867832944 SZGUDRAPGDBVPF-NSOVKSMOSA-N 574.638 4.384 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)COc4ccccc4)n(-c4ccccc4Cl)n3)CC2)cc1 1869969900 XRUSZGUSCSTICT-UHFFFAOYSA-N 519.005 4.273 10 10 KICE CCN(CC)CCOC(=O)c1ccc(NC=C2C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1 2296939558 VCSOTDHJBQNBCX-UHFFFAOYSA-N 508.644 4.052 10 10 KICE COc1ccc(C=C2SC(=S)N(CCCC(=O)N(Cc3ccc(N4CCCCC4)o3)[C@H]3CCS(=O)(=O)C3)C2=O)cc1 2314829303 XCXVVXFDRHPMCC-QFIPXVFZSA-N 617.815 4.476 10 10 KICE CCN(CC)c1ccc(/C=C(/NC(=O)c2ccc(F)cc2)C(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc1 3013159 LLXCFZBXGLWROW-RXVRPDCMSA-N 528.628 4.250 10 10 KICE Cc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1)=C(N)O2 1864011976 OGGSNULMOWLMTE-DEOSSOPVSA-N 516.985 4.315 10 10 KICE CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@@H](C)C1)=C(N)O2 1865028964 CEBMLEYYTMVHJU-KXNSMUHISA-N 539.032 4.220 10 10 KICE CCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C)C1)=C(N)O2 1865032711 IVFGUYCTCHCDCA-QRQCRPRQSA-N 509.006 4.452 10 10 KICE O=C(N[C@H](Cc1ccc(O)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(-c2cccnc2)on1 1867164233 GYSBHZUKAHBGTG-RUZDIDTESA-N 558.550 4.197 10 10 KICE CC[C@@](C)(NC(=O)c1cc(OC)c(OC)c(OC)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867342467 GIIWRXAODBLSCU-AYWVHJORSA-N 540.705 4.020 10 10 KICE C[C@H](C(=O)O)N1C(=O)c2ccc(C(=O)N[C@@H](CSCc3ccccc3)C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O 1867498747 JUBATVPYVUAXDK-OBVGZQLQSA-N 685.847 4.197 10 10 KICE COc1ccc(N2CCN(c3nc(=NC(=O)c4ccc(C(F)(F)F)cc4)n(-c4ccccc4)[nH]3)CC2)cc1 1869971134 YSJBLDZJHNUCCD-UHFFFAOYSA-N 522.531 4.296 10 10 KICE CCCCC[C@H](CC)N1C(=O)C(NCCN2CCOCC2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873169652 FAYXZSMGKBISQY-VWLOTQADSA-N 506.691 4.455 10 10 KICE COc1ccc(N2CCN(C(=O)c3cc4c(NCc5ccncc5)ncnc4n3Cc3ccco3)CC2)cc1 1875233939 YFFNSPXAEBZNLQ-UHFFFAOYSA-N 523.597 4.051 10 10 KICE O=C1C(=Cc2c(N3CCN(c4ccccc4F)CC3)nc3ccccn3c2=O)SC(=S)N1C1CCCC1 2296347482 DCXMORDPPKZCCI-UHFFFAOYSA-N 535.670 4.304 10 10 KICE N=C1C(=Cc2cn(Cc3ccc4c(c3)OCO4)c3ccccc23)C(=O)N=C2SC(c3cccnc3)=NN12 2296630451 LRUSRRDLQFMTJZ-UHFFFAOYSA-N 506.547 4.481 10 10 KICE CCOC(=O)[C@H]1CCCN(c2nc3c(C)cccn3c(=O)c2C=C2SC(=S)N(C3CCCCC3)C2=O)C1 2296732150 ACRKWKGQLPVWIA-SFHVURJKSA-N 540.711 4.316 10 10 KICE CCN1C(=O)C(=Cc2cc(C)n(-c3sc(C)c(C)c3C(=O)OC)c2C)c2cc(S(N)(=O)=O)ccc21 2313656756 IANRLTUPUOPPIZ-UHFFFAOYSA-N 513.641 4.114 10 10 KICE CCOc1ccccc1NC(=O)CCN1C(=O)/C(=C/c2cc(OC)c(OC)c(OC)c2)SC1=S 33413847 QBRLOIMGWIFRDG-ZHZULCJRSA-N 502.614 4.341 10 10 KICE CCOc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC(C)C)c1C 96460797 BLNTVNXZRAEPLJ-SCORJZKRSA-N 513.645 4.140 10 10 KICE Cc1cc(Br)c(N2C(=O)NC(=O)/C(=C\NN3C(=O)c4cccc5c(N6CCCCC6)ccc(c45)C3=O)C2=O)cc1C 104483919 VXSPJHIEOSNFGX-RCCKNPSSSA-N 616.472 4.477 10 10 KICE O=C1c2ccccc2C(=O)c2cc(CN3C(=O)[C@H]4[C@H](C3=O)[C@H](c3ccc(-c5ccccc5)cc3)N[C@H]4C(=O)O)ccc21 105342808 GGHMOWKTCFFZFF-XFTNXAEASA-N 556.574 4.028 10 10 KICE Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cn(C)c3ccccc13)=C(N)O2 1864006918 ANXGUVHRNUBYIN-HHHXNRCGSA-N 535.604 4.137 10 10 KICE Cc1cc(C)cc(OCCNC(=O)C2=C(N)Oc3c(c(C)nn3Cc3ccccc3)[C@@H]2c2ccc(O)c(O)c2)c1 1864008779 RWFQINRDYNNRBS-MHZLTWQESA-N 540.620 4.158 10 10 KICE CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1c[nH]c3ccccc13)=C(N)O2 1864014652 ZONRCSBYQVBUSG-DEOSSOPVSA-N 515.614 4.192 10 10 KICE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCc3ccccc3C1)=C(N)O2 1865030747 PVYNVPQRTMLKML-XMMPIXPASA-N 502.615 4.182 10 10 KICE CCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1C)=C(N)O2 1865033361 XYWRZYZPOUEMTL-UUOWRZLLSA-N 502.615 4.309 10 10 KICE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccccc4C)cn3CCc3cnc[nH]3)CC2)cc1 1870627892 KIOCDHQSUBQDGA-UHFFFAOYSA-N 513.642 4.032 10 10 KICE CS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OCc4ccc(Cl)cc4Cl)cc3)C(=N)N21 2297345159 XYCKNAOAAZYZMR-UHFFFAOYSA-N 509.396 4.194 10 10 KICE CC[C@H](Oc1ccc(C=C2SC(=S)N(NC(=O)c3ccccc3Br)C2=O)cc1)C(=O)O 2314929888 UDYXPKQZXPWTDT-INIZCTEOSA-N 521.414 4.237 10 10 KICE CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OCC(=O)N1CCCCC1 40939856 CUVQHFQWFKCFOP-CJLVFECKSA-N 525.652 4.023 10 10 KICE COc1ccc(/C=C2\SC(Nc3nnc(SCC(=O)Nc4ccc(F)cc4)s3)=NC2=O)cc1 54201824 WQDDYQFJZLBILE-YBEGLDIGSA-N 501.590 4.499 10 10 KICE CN(C)c1ccc([C@@H]2CC(c3cccc(Br)c3)=NN2C2=NC(=O)[C@@H](CC(=O)O)S2)cc1 72413087 SSEAUWSEFXBJNF-RBUKOAKNSA-N 501.406 4.139 10 10 KICE Cc1ccsc1CN(C(=O)CN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)[C@H]1CCS(=O)(=O)C1 101266778 WLLNJPKRGZINBW-PGLQMZEQSA-N 541.141 4.127 10 10 KICE O=C(O)CC[C@H](C(=O)O)N1C(=O)/C(=C/c2cc(Br)ccc2OCC(=O)Nc2ccc(F)cc2)SC1=S 101965264 SZZFSDMXIRMSKX-LTKMBJGESA-N 597.440 4.125 10 10 KICE CCOc1cc2[nH]c(=S)n(CCCCC(=O)N3CCN(c4ccc(OC)cc4)CC3)c(=O)c2cc1OCC 102756776 NTHYFDFNLKDIOC-UHFFFAOYSA-N 540.686 4.384 10 10 KICE COc1ccc(CCN2C(=O)/C(=C/c3c(N4C[C@H](C)O[C@H](C)C4)nc4c(C)cccn4c3=O)SC2=S)cc1OC 105605952 KNBFAFNWTJWMIX-YMNHORQBSA-N 580.732 4.078 10 10 KICE CC(C)CN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCOCC3)c2)SC1=S 110556499 IWYCFSYTTNBNHQ-LFVJCYFKSA-N 568.746 4.417 10 10 KICE CCN1C(=c2sc(=C3C(=O)N(c4ccccc4)N=C3Nc3ccccc3)n(CC)c2=O)Sc2ccccc21 254522900 SEOUZIVBLBDIEU-UHFFFAOYSA-N 539.686 4.251 10 10 KICE CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(sc(=Cc3ccc(N(C)C)c(Br)c3)c2=O)=N1 1084362623 FXPRRWXBPHYILE-AREMUKBSSA-N 614.562 4.424 10 10 KICE CC[C@H](NC(=O)c1cc(-c2cc(F)ccc2OC)n(C)n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867105563 JIWKNVPWFDROQY-NRFANRHFSA-N 540.551 4.157 10 10 KICE CC(=O)Oc1cccc(C(=O)N[C@@H](C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c2ccccc2)c1 1867296595 PNQNBFPFKAMXQJ-LOYHVIPDSA-N 542.680 4.492 10 10 KICE COc1ccc(CCN2C(=O)c3ccc(C(=O)N[C@@H](C)C(=O)NC[C@H](c4ccc(N(C)C)cc4)N4CCCCC4)cc3C2=O)cc1 1867493777 BKRDEDYKYYSZIN-NRUKRWIHSA-N 625.770 4.062 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)[C@@H](CC(C)C)c3cccc(Br)c3)CC2)cc1 1869001811 TUCVYJWGWDGILX-DVECYGJZSA-N 516.480 4.441 10 10 KICE CCCCCCn1cc(OCC(=O)OCCCC)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870764180 XIXJUARYOZPRGJ-UHFFFAOYSA-N 513.679 4.482 10 10 KICE O=C1N=C(N2CCN(Cc3ccccc3)CC2)SC1=Cc1ccc(OS(=O)(=O)c2ccccc2)cc1 2296073501 KDTRLOYYBSGZHG-UHFFFAOYSA-N 519.648 4.242 10 10 KICE N=C1C(=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)N=C2SC(CC(=O)N3CCOCC3)=NN12 2297469051 DHAPEUXEVGGHMY-UHFFFAOYSA-N 518.382 4.121 10 10 KICE CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C3SC(=S)N(C)C3=O)c2)CC1 2314476450 OUJVCTYZJUOYNC-UHFFFAOYSA-N 596.756 4.334 10 10 KICE CCN(CC)C(=O)COc1ccc(C=C2SC(=S)N([C@H](C(=O)OC)c3ccccc3)C2=O)cc1OC 2314770017 XYJMNFHGKTXELX-QHCPKHFHSA-N 528.652 4.058 10 10 KICE CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\NN1C(=O)c2ccc3c4c(ccc(c24)C1=O)CC3 101110199 JPEGZLDVSHAISG-NDENLUEZSA-N 501.340 4.108 10 10 KICE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CCOC)C2=O)c1 102688255 QOXUWYPZDFAJKR-HAVVHWLPSA-N 556.735 4.417 10 10 KICE CC1=C(C(=O)OCc2ccccc2)[C@H](c2cccs2)n2c(sc(=Cc3ccc(N(C)C)cc3)c2=O)=N1 254896480 VRBCNUJAPLWPFZ-VWLOTQADSA-N 515.660 4.106 10 10 KICE Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN(C)C)=C(N)O2 1864007794 VGILVWHEYRBLNU-JOCHJYFZSA-N 546.455 4.051 10 10 KICE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)NCc2ccc(F)cc2)[C@@H]3c2ccc(O)c(O)c2)c1 1864012406 ZGRILFCHIPPPSA-AREMUKBSSA-N 528.584 4.418 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)c3cc(-c4cc(F)ccc4F)n(C)n3)CC2)cc1 1868939911 DPIKURIDLYDMAM-MUUNZHRXSA-N 559.617 4.064 10 10 KICE O=C(CCN1CCOCC1)NN1C(=O)C(=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S 2314489130 OJGKVPMVOGNGRH-UHFFFAOYSA-N 512.440 4.208 10 10 KICE O=C(O)CNc1cc(N2CCN(CCOc3ccc(Cl)cc3)CC2)c2noc3c2c1C(=O)c1ccccc1-3 3742062 HXZNHJQLLNGDEP-UHFFFAOYSA-N 532.984 4.390 10 10 KICE CC(C)CCN1C(=O)/C(=C\c2c(N3CCN(c4ccccc4)CC3)nc3ccccn3c2=O)SC1=S 33429952 KBBZMMWKCHOUPP-RELWKKBWSA-N 519.696 4.268 10 10 KICE CCN(CC)c1ccc(CN(CCOC)C(C)=O)c(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 96290297 URJIBBSSUMUSHT-UHFFFAOYSA-N 502.555 4.314 10 10 KICE CCNC(=O)N(Cc1ccc(N(CC)CC)cc1OS(=O)(=O)c1ccc(NC(C)=O)cc1)CC1CC1 96292312 AROAJENLTSBWRK-UHFFFAOYSA-N 516.664 4.200 10 10 KICE O=C1NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)ccc1OCCOCCOc1ccccc1 100054517 FVONUUUPEAIIHA-PTGBLXJZSA-N 523.383 4.385 10 10 KICE CC(C)C1=NN2C(=N)/C(=C\c3cc([N+](=O)[O-])ccc3OCCOCCOc3ccccc3)C(=O)N=C2S1 101799684 ODFRWBMBAYVWLR-UQIALHJZSA-N 523.571 4.344 10 10 KICE O=C1N=C(N2CCOCC2)S/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCCC2)c1 110559148 UYPYXOQAODAWEJ-LHLOQNFPSA-N 577.732 4.407 10 10 KICE CCCn1nc(C)c2c1OC(N)=C(C(=O)N[C@@H](C)c1ccc3c(c1)CCCC3)[C@@H]2c1ccc(O)c(O)c1 1864010039 NQQGZZDKHHVQLZ-IVCQMTBJSA-N 502.615 4.464 10 10 KICE CCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(C)c1)=C(N)O2 1864018206 FQXMIMPPSPEYKI-RUZDIDTESA-N 528.584 4.364 10 10 KICE CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1c[nH]c3ccccc13)=C(N)O2 1864020547 DICFSIKSRSVJHB-XMMPIXPASA-N 515.614 4.048 10 10 KICE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCCC1)=C(N)O2 1865029914 YMGBGSIUUZKDEJ-DEOSSOPVSA-N 518.614 4.342 10 10 KICE NC1=C(C(=O)N2CCCC2)[C@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(Cc3ccc(F)cc3)c2O1 1865031559 JOQXBNOYIMOSQH-XMMPIXPASA-N 526.568 4.466 10 10 KICE CC[C@](C)(NC(=O)Cc1nc(-c2cccc(Cl)c2)oc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868647856 AUZPNOXSMBVQFS-NDEPHWFRSA-N 525.049 4.488 10 10 KICE CCCC[C@@H](NC(=O)c1cc(-c2ccc(C)c(C)c2)n(C)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868756382 ZDVRFDUSJFEVKC-AREMUKBSSA-N 517.674 4.350 10 10 KICE COc1ccc(N2CCN(C(=O)c3cc4c(NC[C@@H]5CCCO5)ncnc4n3Cc3ccccc3)CC2)cc1 1875215965 FMDVCSYJNHZJCZ-VWLOTQADSA-N 526.641 4.042 10 10 KICE Cc1cc(N2C(=O)NC(=O)C(=Cc3cc([N+](=O)[O-])ccc3N3CCCCC3)C2=O)ccc1Br 2313548331 SJCAQRRBLVEFRR-UHFFFAOYSA-N 513.348 4.322 10 10 KICE CCOCCCNc1nc2ccc(C)cn2c(=O)c1/C=C1/SC(=S)N(c2c(C)n(C)n(-c3ccccc3)c2=O)C1=O 100886008 PQTXKNLJNNYELP-CJLVFECKSA-N 590.731 4.045 10 10 KICE Cc1ccc2nc(N3CCN(c4ccccc4)CC3)c(/C=C3/SC(=S)N(C4CCCC4)C3=O)c(=O)n2c1 102578619 YPKWMUAEKWUTLL-HAVVHWLPSA-N 531.707 4.473 10 10 KICE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCCOc4ccc(C)c(C)c4)c(Cl)c3)C(=N)N21 104561545 NOXGVYASNCABRN-SREDRKHISA-N 547.058 4.426 10 10 KICE CCn1c(N2CCC[C@@H](C)C2)c(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)c(C)c(C#N)c1=O 137694643 ACBLFDRKUUWGDG-XYIDMMFISA-N 536.679 4.415 10 10 KICE Cc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccccc1)=C(N)O2 1864008131 CUWUJVHTOQWONW-XMMPIXPASA-N 516.985 4.299 10 10 KICE CCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2c(F)cccc2Cl)[C@@H]1c1ccc(O)c(O)c1 1864023242 WIIJELHQPJMZLY-KRWDZBQOSA-N 540.901 4.375 10 10 KICE CC(C)[C@@H](CC(=O)N[C@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(Cl)cc1 1866754801 KKKRVBLBEUHNKB-ISKFKSNPSA-N 518.997 4.361 10 10 KICE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4cccc(C)c4)cn3C[C@H]3CCCO3)CC2)cc1 1870619549 OGTHXRKTPHTGOG-MUUNZHRXSA-N 503.643 4.246 10 10 KICE Cc1ccc2nc(N3CCN(c4ccccc4F)CC3)c(C=C3SC(=S)N(C(C)C)C3=O)c(=O)n2c1 2296548439 MQDJEMXJVJIDIL-UHFFFAOYSA-N 523.659 4.078 10 10 KICE COc1ccc(C=CC(=O)Nc2ccc3nc(N4CCN(c5ncccn5)CC4)cc(C)c3c2)cc1OC 2297332726 LDFFBJSMFUGXCD-UHFFFAOYSA-N 510.598 4.329 10 10 KICE CCCCn1c(=C2SC(=S)N(c3ccccc3)C2=O)sc(=C2Sc3ccccc3N2C)c1=O 2297707883 VTVSDKYJYPKZMU-UHFFFAOYSA-N 511.719 4.191 10 10 KICE COc1ccc(N2CCN([C@@H](c3cccs3)[C@H](C)NC(=O)Cc3ccc(OC)c(OC)c3)CC2)cc1 20289509 AEUJOHISSHASTJ-WTYVLRPYSA-N 509.672 4.385 10 10 KICE CCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3CCC(C(N)=O)CC3)=NC2=O)c1 102687519 ATQCNMHMDAQGAW-XQNSMLJCSA-N 501.612 4.106 10 10 KICE CCCOc1ccc([C@@H]2N[C@](CCSC)(C(=O)O)[C@@H]3C(=O)N(Cc4ccc5c(c4)C(=O)c4ccccc4C5=O)C(=O)[C@H]23)cc1 107462543 BBEVPNZXTMUCNS-NWWIOOOSSA-N 612.704 4.273 10 10 KICE CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3C)C2=O)ccc1OCC(=O)N1CCCCC1 206935356 KNGBYVUHJQFHTI-KQWNVCNZSA-N 539.679 4.331 10 10 KICE CN1C(=c2sc(=C3C(=O)N(c4ccccc4)N=C3Nc3cccc(Br)c3)n(C)c2=O)Sc2ccccc21 252669989 JFNGLPSIBRERRM-UHFFFAOYSA-N 590.528 4.140 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)cc3)c(=O)n2[C@H]1/C=C/c1ccccc1 254294270 MTMMWWZCWPGIKB-URRHOTHCSA-N 501.652 4.310 10 10 KICE CN(C(=O)c1cc(I)cc(I)c1I)c1ccc(N)cc1 702078190 WWZWFZXAJAPKHS-UHFFFAOYSA-N 603.967 4.359 10 10 KICE CC[C@H](C)NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1 1864015853 XBAUMEMYZLZUMZ-IFXJQAMLSA-N 516.520 4.279 10 10 KICE Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCc1cn(C)c3ccccc13)[C@@H]2c1ccc(O)c(O)c1 1864016358 NCHAXDVNURGJCW-RUZDIDTESA-N 535.604 4.044 10 10 KICE CCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(F)cc1)=C(N)O2 1864018565 OCIOGHLNZQWYNT-XMMPIXPASA-N 532.547 4.194 10 10 KICE CC(C)CN1C(=O)c2ccc(C(=O)N[C@H](Cc3ccc(O)cc3)C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O 1867417686 BMBBMHDMTMXBAO-CZNDPXEESA-N 639.797 4.395 10 10 KICE COCCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CC(=O)N3CCc4ccccc4[C@H]3C2)n1 1868254554 TWTVSQFISDSTIV-AREMUKBSSA-N 559.626 4.131 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)[C@@H]3CCCN3Cc3ccccc3F)CC2)cc1 1868817453 UNFSOKDHTNNADU-IHLOFXLRSA-N 562.661 4.014 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)[C@H]3C[C@H]3c3ccc(F)cc3)CC2)cc1 1868825527 RSNOCTHNNCKXSQ-KCHLEUMXSA-N 519.592 4.153 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)Cc4ccccc4[N+](=O)[O-])n(-c4ccc(C)cc4)n3)CC2)cc1 1869969684 IWLDHSLSYNIENM-UHFFFAOYSA-N 527.585 4.000 10 10 KICE CCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCc3ccc(OC)c(OC)c3)ncnc21 1875202144 HHWXXUNBIUDPFT-UHFFFAOYSA-N 530.629 4.052 10 10 KICE CC[C@@H](C)N1C(=O)C(=Cc2c(N3CCN(Cc4ccccc4)CC3)nc3ccccn3c2=O)SC1=S 2296696700 PNIMWKQAUDHYEW-LJQANCHMSA-N 519.696 4.016 10 10 KICE COc1ccc(CCN2C(=O)/C(=C\c3c(N4C[C@H](C)O[C@@H](C)C4)nc4c(C)cccn4c3=O)SC2=S)cc1 1273757 KHRJEXUVGLTWEH-DENSEHQSSA-N 550.706 4.069 10 10 KICE COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(OCc4ccccc4)cc3)C2=O)ccc1OCC(=O)O 59815807 UPDPZWWKXSTTLT-OEAKJJBVSA-N 550.614 4.284 10 10 KICE C[C@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3\SC(N4CCOCC4)=NC3=O)c2)C1 101014668 OFZHEBMJJQHJFI-HUBZVCNYSA-N 577.732 4.262 10 10 KICE C[C@H]1CCCN(C2=NC(=O)/C(=C\c3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N4CCOCC4)c3)S2)C1 110556660 MSAZPIHYDCJUQY-AFDYPQSWSA-N 577.732 4.262 10 10 KICE CCCOc1ccc(C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1862062634 LTNGKWCUQGGRJW-NDEPHWFRSA-N 519.617 4.313 10 10 KICE Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(Cl)c1)=C(N)O2 1864008483 LCGAYEFBLHRVKJ-XMMPIXPASA-N 516.985 4.315 10 10 KICE CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)c1ccc(OC)cc1)=C(N)O2 1864020570 DMVRHTSUWOGZRZ-WAIKUNEKSA-N 506.603 4.093 10 10 KICE CCN(CCc1ccncc1)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2CC(C)C)[C@H]1c1ccc(O)c(O)c1 1865033629 FJXYKQHYNIPGLI-HXUWFJFHSA-N 545.562 4.150 10 10 KICE COC(=O)c1c(NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)sc(C)c1-c1ccc(C)c(C)c1 1866024870 GCJHHPMVJAQLNV-UHFFFAOYSA-N 507.524 4.270 10 10 KICE C[C@@H](NC(=O)[C@@H](Cc1ccccn1)c1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866680815 ALGRFDZWMZCUAN-CLOONOSVSA-N 503.558 4.327 10 10 KICE CN(C)c1ccc([C@H](CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2ccccc2)N2CCCCC2)cc1 1867772968 JOYYMJGIAODYSP-VMPREFPWSA-N 514.670 4.143 10 10 KICE CSCC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867822810 ZJJRYGDTAHXSIV-AOYPEHQESA-N 586.715 4.072 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)Cc3nc(-c4cccc(Cl)c4)oc3C)CC2)cc1 1868649723 BFMQZGZJYXNYLJ-XMMPIXPASA-N 557.116 4.441 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](CSCc3ccccc3)NC(=O)c3cc(-c4cccnc4)on3)CC2)cc1 1868982363 FTQDAHGHVLPMFO-MHZLTWQESA-N 557.676 4.126 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)c3cc(C4CC4)n4nc(C5CC5)cc4n3)CC2)cc1 1868984688 MKOIDIKCFZFLHQ-GDLZYMKVSA-N 564.690 4.183 10 10 KICE CCOC(=O)CCOc1cn(CCC2=CCCCC2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870453297 MONHFESYWQHEEC-UHFFFAOYSA-N 523.674 4.402 10 10 KICE COc1ccc(N2CCN(S(=O)(=O)c3ccc(OCC(=O)Nc4cccc5ccccc45)cc3)CC2)cc1 1872719080 WFJVUMUNDRSBME-UHFFFAOYSA-N 531.634 4.377 10 10 KICE CCCN(CCC)C(=O)c1cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc2n1CCCOC 1873558317 ARORUKLFVASFOW-UHFFFAOYSA-N 508.667 4.065 10 10 KICE CC[C@H](C)N1C(=O)C(=Cc2c(N3CCN(c4ccccc4)CC3)nc3ccc(C)cn3c2=O)SC1=S 2296223383 FEUPFGARLUACBZ-IBGZPJMESA-N 519.696 4.329 10 10 KICE CCOc1cc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)cc(I)c1OC 2297624394 XEXSVARXTKMXII-UHFFFAOYSA-N 542.782 4.183 10 10 KICE CCOc1cccc(N2C(=O)C(=Cc3ccc(OCc4cccc(C(=O)O)c4)c(OC)c3)C(=O)NC2=S)c1 2313543650 ZBAJKNQPGOGYLZ-UHFFFAOYSA-N 532.574 4.202 10 10 KICE CCN1C(=O)C(=C2SC(=S)N([C@@H](C(=O)O)c3ccccc3)C2=O)c2cc(Br)ccc21 2314768725 MFKFSCSZWJJEBT-MRXNPFEDSA-N 503.399 4.213 10 10 KICE COc1ccc(CNc2c(/C=C3\SC(=S)N(Cc4ccco4)C3=O)c(C)c(C#N)c(=O)n2C)cc1 40066641 PTDSVBUPVYBGFK-NHDPSOOVSA-N 506.609 4.181 10 10 KICE CCN1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N([C@H](C)c3ccccc3)C2=O)CC1 102823398 LRIIOQAVIXFRHU-ACXJOVJBSA-N 519.696 4.107 10 10 KICE COc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(N3C(=O)c4ccccc4C3=O)C2=O)cc1 109500451 CTSOILWNQPKKQI-HMAPJEAMSA-N 545.598 4.125 10 10 KICE CCOC(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C\c3ccc(O)c(OC)c3)SC2=S)cc1 210719319 OOTLKYNKWRQSJV-XSFVSMFZSA-N 500.598 4.198 10 10 KICE COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(C[C@H]2CCCO2)C1=O 213203383 OTABAPSIPKJNIH-FPXKJXHESA-N 509.609 4.184 10 10 KICE CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)NC[C@@H]4CCCN5CCCC[C@@H]45)c4ccccc34)[C@H]21 1615156398 XHNZPTMSSIMBBX-YJHYVVDTSA-N 511.670 4.169 10 10 KICE O=C(Cc1ccccc1[N+](=O)[O-])Nc1cccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)n1 1860565664 ZYUHEQXPRZULCS-UHFFFAOYSA-N 506.474 4.199 10 10 KICE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)NCCOc2ccccc2)[C@@H]3c2ccc(O)c(O)c2)c1 1864011526 JDSWYGYVSAEJDM-HHHXNRCGSA-N 540.620 4.158 10 10 KICE CCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2c(F)cccc2Cl)[C@@H]1c1ccc(O)c(O)c1 1864018048 BOECKALLPCYTJI-NRFANRHFSA-N 514.985 4.308 10 10 KICE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](C)C1)=C(N)O2 1865030726 PLCGIYSNFJVPMR-BXKMTCNYSA-N 520.605 4.387 10 10 KICE CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CCc1ccncc1)=C(N)O2 1865033339 XMNRLNHNGZJMLP-VWLOTQADSA-N 525.609 4.027 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)CCc3csc(-c4ccncc4)n3)CC2)cc1 1868910028 RRWRBEVENDVJCK-NDEPHWFRSA-N 555.704 4.223 10 10 KICE COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCO[C@H](c3cccc(Cl)c3)C2)n1 1869114344 BWSACEXGLALGSD-VWLOTQADSA-N 524.065 4.232 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)c4ccc(F)c(F)c4)n(-c4ccc(C)cc4)n3)CC2)cc1 1869970858 YJDVYTSXLPSXJN-UHFFFAOYSA-N 504.541 4.441 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NC[C@@H]3CCCO3)C(=O)N(CCCc3nc4ccccc4[nH]3)C2=O)cc1 1873166221 HKKFHZYVEPBNCU-DEOSSOPVSA-N 523.637 4.452 10 10 KICE COc1ccccc1CN1C(=O)C(NCCCCN(C)C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873167798 XVUPQSPSTHQVPC-UHFFFAOYSA-N 500.643 4.314 10 10 KICE CCN(CC)CCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCOc2ccccc2)C1=O 1873169358 LHHYPJGKUFRTGC-UHFFFAOYSA-N 500.643 4.184 10 10 KICE C[C@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C3SC(=S)N([C@H]4CCS(=O)(=O)C4)C3=O)c2)C1 2314479216 DZLLBKLAWWBQKP-RDPSFJRHSA-N 642.850 4.348 10 10 KICE CCOc1cc(C=C2SC(=S)N(CCCC(=O)O)C2=O)cc(Br)c1OCC(=O)N1CCCCC1 2314759358 CFVNZFKWNIXNFB-UHFFFAOYSA-N 571.515 4.305 10 10 KICE COc1ccc(C2=NN(Cc3ccccc3)C(=O)C2=Cc2ccc(OCCN3CCOCC3)c(OC)c2)cc1 2332105127 AOMCEHOCPZBAER-UHFFFAOYSA-N 527.621 4.245 10 10 KICE C[C@@H]1CCCCN1c1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O 33781300 MFMGCGAXNHTZRX-RDPIHGLISA-N 520.636 4.203 10 10 KICE CCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2N2CCN(c3ccccc3)CC2)SC1=S 39989852 VTVGXMZVSHUCNX-QJOMJCCJSA-N 521.712 4.376 10 10 KICE CCCCn1c(N2CCN(c3ccccc3F)CC2)c(/C=C2\SC(=S)N(C)C2=O)c(C)c(C#N)c1=O 39990525 BFEWWQFWWVNUDP-JCMHNJIXSA-N 525.675 4.125 10 10 KICE CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(Br)cc1OCC(=O)Nc1ccccc1 1084639737 MZMKZICDRUNNAG-GRSHGNNSSA-N 608.401 4.260 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])c3ccccc3)CC2)cc1 1862292717 QTXUPCHFDNIMEM-DEOSSOPVSA-N 508.962 4.077 10 10 KICE CCCCOCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2Cl)[C@@H]1c1ccc(O)c(O)c1 1864009095 ZESIZCGEYQIKNZ-QHCPKHFHSA-N 527.021 4.263 10 10 KICE CCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1OC)=C(N)O2 1864019628 NVRPQTGGCZOCGS-AREMUKBSSA-N 540.620 4.233 10 10 KICE Cc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@@H](C)C1)=C(N)O2 1865027320 GQPCCDRVYMIXJY-AQKDONEWSA-N 509.006 4.444 10 10 KICE NC1=C(C(=O)N2CCCCC2)[C@@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(Cc3ccc(F)cc3)c2O1 1865033986 MRVFVFBCEMPFGJ-IBGZPJMESA-N 532.494 4.208 10 10 KICE CC[C@H](NC(=O)c1cc(OC)c(OC)c(OC)c1Br)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867465222 WRWIKXXQFQNKMP-XZOQPEGZSA-N 605.574 4.393 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCCCN3CCOCC3)C(=O)N(Cc3ccccc3Cl)C2=O)cc1 1873170334 VYPSAEFKTVDEKG-UHFFFAOYSA-N 533.072 4.340 10 10 KICE COCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCCc3ccc(C)cc3)ncnc21 1875224158 XZAVRGNVOCPTIF-UHFFFAOYSA-N 528.657 4.012 10 10 KICE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC(NCc2cc(Br)cc(F)c2O)C1 2259377281 RCBSDGLZBXDMJO-UHFFFAOYSA-N 518.424 4.240 10 10 KICE Cc1ccc(CNc2nc3c(C)cccn3c(=O)c2C=C2SC(=S)N(C[C@H]3CCCO3)C2=O)cc1 2296707775 INLOGMAYRDQIGH-LJQANCHMSA-N 506.653 4.304 10 10 KICE CCOC(=O)c1ccc(NC(=O)CN2C(=O)C(=C3SC(=S)N([C@@H](C)CC)C3=O)c3ccccc32)cc1 2296711260 HRCXSJNVBTUCQO-HNNXBMFYSA-N 523.636 4.219 10 10 KICE N=C1C(=Cc2ccc(OCCCOc3ccccc3)cc2)C(=O)N=C2SC(CC(=O)N3CCCC3)=NN12 2297079093 HQPDQARVNUJUGR-UHFFFAOYSA-N 517.611 4.166 10 10 KICE COc1ccc(C=C2SC(=S)N(CCC(=O)N(Cc3ccc([C@@H]4C[C@H]4C)o3)[C@H]3CCS(=O)(=O)C3)C2=O)cc1 2314828480 CEUSTVFLZUWVAX-ZWCUEREDSA-N 574.746 4.219 10 10 KICE CCCCCN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3ccc(OC)cc3OC)c3ccccc32)SC1=S 39983179 WWGIAGHMWUKNSM-GHVJWSGMSA-N 525.652 4.451 10 10 KICE O=C1/C(=C/c2cn(-c3ccccc3)nc2C23CC4CC(CC(C4)C2)C3)SC(=S)N1CCS(=O)(=O)O 101012797 GCYFREADZZBJHB-NHDPSOOVSA-N 529.709 4.429 10 10 KICE CCn1c(N2CCN(Cc3ccccc3)CC2)c(/C=C2\SC(=S)N(CC(C)C)C2=O)c(C)c(C#N)c1=O 110521589 ZSPLXQFMLGCYMX-IWIPYMOSSA-N 535.739 4.228 10 10 KICE CC(C)CCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2)[C@H]1c1ccc(O)c(O)c1 1864014759 BSXLMYSTSXLLML-LJQANCHMSA-N 516.520 4.218 10 10 KICE CCCCOCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@H]1c1ccc(O)c(O)c1 1864014895 FSNTXBMDAVKYCO-HXUWFJFHSA-N 546.546 4.320 10 10 KICE NC1=C(C(=O)NC2CCCC2)[C@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(Cc3cccc(F)c3)c2O1 1864015457 RQIWROOFRCPWOC-LJQANCHMSA-N 532.494 4.254 10 10 KICE CCOCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2cccc3ccccc23)[C@@H]1c1ccc(O)c(O)c1 1864020753 GPUYZHLKELJHEE-VWLOTQADSA-N 528.609 4.237 10 10 KICE CCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC(C)C)=C(N)O2 1864021861 RIWGLDJBMFSRGF-RUZDIDTESA-N 528.609 4.235 10 10 KICE CCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)Cc1ccccc1)=C(N)O2 1865032851 MRMDBWUZSNXHTO-VWLOTQADSA-N 510.594 4.258 10 10 KICE O=C(C[C@@H](c1ccc(F)cc1)c1cccc(F)c1)N[C@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866782429 PDEDPAKQJPLPBS-AHKZPQOWSA-N 554.549 4.378 10 10 KICE CCC[C@H](NC(=O)/C=C(\C)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867075222 ZQROQMXRVXSYLL-GHZVVNKJSA-N 573.671 4.039 10 10 KICE CCOc1ccc(-c2nc(N3CCN(c4ccc(OC)cc4)CC3)cc(N3CCC[C@H](CO)C3)n2)cc1 1867996465 HLUPGOUUXJIPKI-QFIPXVFZSA-N 503.647 4.086 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)Cc3nc(-c4ccccc4OC)oc3C)CC2)cc1 1868652645 VQOATMVBQQTZCJ-GDLZYMKVSA-N 568.674 4.286 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCN(C)[C@H](c5ccccc5)C4)nc(-c4cccnc4)n3)CC2)cc1 1869372634 UYLUTIUDZHJEPM-NDEPHWFRSA-N 521.669 4.367 10 10 KICE COc1ccc(N2CCN(C(=O)c3cn(-c4cccc(OCc5ccccc5)c4)c(=O)cc3O)CC2)cc1 1870130784 PTKSQXGUISMYDF-UHFFFAOYSA-N 511.578 4.093 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccc(S(N)(=O)=O)cc3)C(=O)N([C@@H](C)c3ccccc3)C2=O)cc1 1873164457 CLGLLIWFDJFOHU-QFIPXVFZSA-N 554.672 4.372 10 10 KICE CCCCN(CC)C(=O)c1cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc2n1CCCOC 1873559243 RWUBJLRGNHPXGG-UHFFFAOYSA-N 508.667 4.065 10 10 KICE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(N3CCC(C(N)=O)CC3)=NC2=O)cc1C 2296703394 CSUCVTGLYRAXTK-UHFFFAOYSA-N 515.639 4.414 10 10 KICE CCCCn1c(N2CCC(C)CC2)c(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c(C)c(C#N)c1=O 39990394 CTBBAGCMHTXSOT-HBEGMLAUSA-N 514.717 4.445 10 10 KICE CCCn1nc(C)c2c1OC(N)=C(C(=O)N[C@H](C)c1ccc3c(c1)CCCC3)[C@@H]2c1ccc(O)c(O)c1 1864010041 NQQGZZDKHHVQLZ-PUAOIOHZSA-N 502.615 4.464 10 10 KICE CCN(CCO)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@@H]1c1ccc(O)c(O)c1 1865032263 ZFQNIMYIUFEZAS-QHCPKHFHSA-N 547.011 4.139 10 10 KICE CSCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N([C@@H](CC(C)C)C(=O)O)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867477110 LVBBXJTUPSTJFN-OIFRRMEBSA-N 665.857 4.043 10 10 KICE CC[C@@H](NC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867530336 FLFXHAPTQJPSRU-LOYHVIPDSA-N 581.717 4.405 10 10 KICE COc1ccc(C)cc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCN2CCOCC2)C1=O 1873426319 ZIYFXNCVFDOXDR-UHFFFAOYSA-N 528.653 4.325 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccccc3N3CCOCC3)C(=O)N(C3CCN(C)CC3)C2=O)cc1 1873427269 JMCYKTNHEOOCIW-UHFFFAOYSA-N 539.680 4.217 10 10 KICE CCCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCCCCN3CCCC3)ncnc21 1875215583 QBRJXTJATGNZHE-UHFFFAOYSA-N 533.721 4.490 10 10 KICE CCOCCCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3cc(C)ccc3C)c3ccccc32)SC1=S 2296713679 QBQCLKAVWIZJNV-UHFFFAOYSA-N 509.653 4.287 10 10 KICE CCCC[C@@H](NC(=O)C=Cc1ccc(Br)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2328570867 IZUPEIXAQXFWAI-XMMPIXPASA-N 514.464 4.495 10 10 KICE O=C1/C(=C\c2c(Oc3ccc(Cl)cc3Cl)nc3ccccn3c2=O)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 101062230 ZUSJBAODKJRJDD-VGSSETLESA-N 568.485 4.182 10 10 KICE CCCOC(=O)CCN1C(=O)/C(=C/c2ccc(OCC(=O)N3CCCCC3)c(OCC)c2)SC1=S 206849091 TYPSHVAWQBQOIF-PGMHBOJBSA-N 520.673 4.021 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4cccc(C(=O)OC)c4)c3C)c(=O)n2[C@@H]1c1ccc(OCC)cc1 252669997 JGICRTNOGMLNKF-GDLZYMKVSA-N 599.709 4.391 10 10 KICE CCCCCSC1=NC(=O)C2=c3cc(Br)ccc3=N[C@@H](c3ccc(N(CC)CC)cc3)N2N1 588226041 GQPOBHCZTSLTLD-HSZRJFAPSA-N 528.520 4.362 10 10 KICE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCC1=CCCCC1)[C@@H]2c1ccc(O)c(O)c1 1864023206 VRAOTWHCCXIQED-GOSISDBHSA-N 506.525 4.424 10 10 KICE CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H]1CO)=C(N)O2 1865030547 LVBXTZUHNXDAFA-FQRUVTKNSA-N 540.620 4.067 10 10 KICE COC(=O)c1ccccc1N1C[C@@H](C(=O)Nc2sc3c(c2C(=O)OC)CC[C@@H](C(C)(C)C)C3)CC1=O 1865924360 RYLDDPUQGNYYOC-JKSUJKDBSA-N 512.628 4.464 10 10 KICE CC(=O)Oc1cccc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867295517 WCDQHHLJCIIDJQ-CONSDPRKSA-N 572.706 4.068 10 10 KICE CCC[C@H](NC(=O)c1cc(OC)cc(OC)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867391252 KVBXNJNSWIOGIY-SVBPBHIXSA-N 510.679 4.012 10 10 KICE CCCC[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867830783 DBZMXHUPGVYNBZ-UIOOFZCWSA-N 554.648 4.201 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCC(n5cnnc5C)CC4)nc(-c4ccc(F)cc4)n3)CC2)cc1 1869279301 FXOCHAQEJPIFJI-UHFFFAOYSA-N 528.636 4.359 10 10 KICE CCOC(=O)c1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCN(C)C)C2=O)cc1 1873421174 KLHNOTKBJJUODT-UHFFFAOYSA-N 500.599 4.024 10 10 KICE COc1cc(C=C2C(=O)NC(=O)N(Cc3ccccc3)C2=O)cc(OC)c1OCCOc1ccccc1Cl 2293519263 PVQKPSZQMOCPND-UHFFFAOYSA-N 536.968 4.477 10 10 KICE O=C1[C@@H]2[C@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc(Br)cc1 22825131 DSJBJCIWKMIGGD-ACRUOGEOSA-N 502.320 4.144 10 10 KICE biogenic CC[C@H]([C@H](C)O)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@](Cn6cncn6)(c6ccc(F)cc6F)C5)cc4)CC3=O)cc2)c1=O 504665238 ZZDLBPMUUVZXAY-ANXFPZKTSA-N 714.774 4.100 10 10 KICE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC)=C(N)O2 1864011196 ROBOCPNROCCHDD-NRFANRHFSA-N 547.439 4.390 10 10 KICE CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)c1ccc(OC)cc1)=C(N)O2 1864017170 HDUWMFOFMPOHFE-NSYGIPOTSA-N 526.593 4.427 10 10 KICE NC1=C(C(=O)NC2CC2)[C@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(Cc3c(F)cccc3Cl)c2O1 1864021699 FRGPUNYUCVUNIS-QGZVFWFLSA-N 538.885 4.127 10 10 KICE CCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCC1)=C(N)O2 1865035447 UDSYFGRCJINKCV-QFIPXVFZSA-N 509.006 4.266 10 10 KICE CN(C)c1ccc([C@@H](CNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)c2ccccc2F)N2CCCCC2)cc1 1867851046 MAHFGWTXWCYENK-FQLXRVMXSA-N 532.660 4.282 10 10 KICE CCCN(CCC)C(=O)CSc1nc2ccc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)cc2[nH]1 1872825243 UDZIVJPGJPGKPE-UHFFFAOYSA-N 509.676 4.275 10 10 KICE CCOC(=O)c1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCOC)C2=O)cc1 1873165022 DLZWPPXCCQDKOJ-UHFFFAOYSA-N 515.610 4.177 10 10 KICE COc1cc(C=C2SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 2296537292 AHXRZZAMWIGREZ-QGZVFWFLSA-N 500.554 4.203 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)C=Cc3ccc(Cl)cc3)CC2)cc1 2328567510 YGLNWPCNDQDGOA-HHHXNRCGSA-N 504.030 4.438 10 10 KICE COc1cc(C=C2C(=O)N(Cc3ccc(Cl)cc3)N=C2C(F)(F)F)ccc1OCCN1CCOCC1 2332105250 MBBKIPLKXOKLQI-UHFFFAOYSA-N 523.939 4.404 10 10 KICE O=C1/C(=C\c2c(NC[C@@H](O)c3ccccc3)nc3ccccn3c2=O)SC(=S)N1Cc1ccc(F)cc1 102687492 VICBLXCSBYIUPT-XOWGOQOESA-N 532.622 4.381 10 10 KICE COC(=O)CCCCCN1C(=O)/C(=C/c2ccc(OCC(=O)N3CCCCC3)c(OC)c2)SC1=S 206710410 BAOPDXNNMKDQJA-PGMHBOJBSA-N 520.673 4.021 10 10 KICE COc1ccc2c(c1)[C@@]1(C(=O)N2C)N(C)C[C@@H](c2cccs2)[C@]12SC(=S)N(Cc1ccco1)C2=O 1565533267 JSFJINBXYPDTFB-RIEVBORMSA-N 525.677 4.050 10 10 KICE COc1ccccc1CNC(=O)C1=C(N)Oc2c(c(C)nn2-c2cccc(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1864008654 PCHUHKZDFUJOAI-DEOSSOPVSA-N 532.984 4.265 10 10 KICE Cc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(C(F)(F)F)c1)=C(N)O2 1864009709 KQSTXNLNVQVMPL-QFIPXVFZSA-N 537.498 4.017 10 10 KICE CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1Cl)=C(N)O2 1864012974 NGPQBEMTOISRJD-HSZRJFAPSA-N 532.000 4.295 10 10 KICE CC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(CCc1ccc(OC)cc1)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867501384 BBCOWWZSBHVBPS-JHOUSYSJSA-N 639.797 4.452 10 10 KICE CC[C@](C)(NC(=O)[C@@H](Cc1ccncc1)c1ccccc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868670539 OEITXYBKOKRNNW-FIBWVYCGSA-N 500.643 4.050 10 10 KICE CC(=O)c1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCN3CCOCC3)C2=O)c1 1873425875 ONSSQGWSLVCIBJ-UHFFFAOYSA-N 526.637 4.211 10 10 KICE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(OCc2ccc(C(=O)O)cc2)cc1 2313559552 DGLCEFHIIRNOAX-UHFFFAOYSA-N 521.323 4.393 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)C=Cc4ccc(F)cc4)n(-c4ccc(OC)cc4)n3)CC2)cc1 2331393928 JNKZEFBEPADZOF-UHFFFAOYSA-N 528.588 4.402 10 10 KICE Cc1cc(Oc2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)ccc1Cl 101062764 HVMCDRDDOXDTHT-SKCQWOFPSA-N 562.094 4.145 10 10 KICE COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)cc(OC)c1OCCOc1ccc(C)c(C)c1 101409430 UINDMOYVECCUFN-BUVRLJJBSA-N 530.577 4.440 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 254622320 ISVFAHXENJHHSY-LJAQVGFWSA-N 598.681 4.352 10 10 KICE COC(=O)c1ccc(C(=O)OC)c(N2C(=O)C(O)=C(c3ccc(OC)cc3)[C@H]2c2ccc(N(C)C)cc2)c1 526601157 KKCIEUVMWNPQAP-RUZDIDTESA-N 516.550 4.392 10 10 KICE CCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2Cc2c(F)cccc2Cl)[C@H]1c1ccc(O)c(O)c1 1864012711 HFKRHIFZDXLALQ-OAQYLSRUSA-N 514.985 4.308 10 10 KICE CC[C@@H](C)NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1 1864015854 XBAUMEMYZLZUMZ-KUHUBIRLSA-N 516.520 4.279 10 10 KICE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCc1ccccc1)[C@@H]2c1ccc(O)c(O)c1 1864022389 MXEAHLRJNUIMQP-LJQANCHMSA-N 516.520 4.023 10 10 KICE CCc1ccc([C@@H]2C(C(=O)N3CCN(c4ccc(OC)cc4)CC3)=C(N)Oc3c2c(C)nn3CC(C)C)cc1 1865495953 IBBKJXRKHRIASY-MHZLTWQESA-N 529.685 4.462 10 10 KICE Cc1nnc([C@H](CC(=O)NC(C)(C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c2ccccc2)o1 1867031774 HOQLTQSEJXQURM-JOCHJYFZSA-N 522.561 4.209 10 10 KICE C[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867725361 GLKSRNNWIFYZRT-PBBNMVCDSA-N 585.680 4.154 10 10 KICE COc1ccc(N2CCN(c3nc(=NC(=O)c4ccc(OCC(C)C)cc4)n(C(C)(C)C)[nH]3)CC2)cc1 1869970312 IKSVSLWLBGFMMF-UHFFFAOYSA-N 506.651 4.077 10 10 KICE COc1ccc(N2CCN(CCC(=O)c3ccc(NC(=O)Cc4ccccc4[N+](=O)[O-])cc3)CC2)cc1 1874748051 MEZTZGFDUXTYTL-UHFFFAOYSA-N 502.571 4.180 10 10 KICE COc1ccc(C=C2SC(=S)N(CCC(=O)N(Cc3c(F)cccc3Cl)[C@H]3CCS(=O)(=O)C3)C2=O)cc1 2314603312 DNMZRQQXCAQBHW-KRWDZBQOSA-N 583.128 4.295 10 10 KICE COc1ccc(N2CCN([C@@H](CNS(=O)(=O)c3cc(Cl)ccc3Cl)c3ccco3)CC2)cc1 38619457 PZQIXIVOBZHXDF-NRFANRHFSA-N 510.443 4.437 10 10 KICE COc1cccc(OCCOc2c(I)cc(/C=C3\SC(=S)NC3=O)cc2OC)c1 100373800 RTYNPQJSWFUVLD-YVLHZVERSA-N 543.404 4.255 10 10 KICE CC1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3\SC(=S)N(CCS(=O)(=O)O)C3=O)c2)CC1 150448004 GYSHVBRWGVLBSK-ULJHMMPZSA-N 632.811 4.049 10 10 KICE CC[C@@H](NC(=O)c1ccc2nc(-c3cccc(C)c3)[nH]c2c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862097068 FVMWDFBVNBBKGO-RUZDIDTESA-N 511.626 4.404 10 10 KICE CCCC[C@H](NC(=O)COc1cc(Cl)ccc1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862196508 UPWLMQJPSVXNAN-QFIPXVFZSA-N 508.446 4.405 10 10 KICE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccn1)=C(N)O2 1864009799 DZRCVHFFPXKFFJ-QHCPKHFHSA-N 532.000 4.295 10 10 KICE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC1)=C(N)O2 1865029228 IWUAPBSSLRTBGA-NRFANRHFSA-N 539.430 4.316 10 10 KICE CCCCCCOc1ccc(C(=O)N[C@H](CO)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867567059 DQVYISUBLJHWQZ-WDYNHAJCSA-N 538.733 4.146 10 10 KICE COc1ccc(OCCN2C(=O)C(NCc3ccncc3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873164261 SNSTUHHEVAABJD-UHFFFAOYSA-N 522.605 4.446 10 10 KICE CC[C@H](CO)Nc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(Cc2ccccc2Cl)C1=O 2297461136 FVGVMWPIAMWAGZ-MRXNPFEDSA-N 515.060 4.241 10 10 KICE Cc1cccc(COc2ccc(C=C3C(=N)N4N=C(CC(=O)N5CCOCC5)SC4=NC3=O)cc2Cl)c1 2297468016 GIIQSKWTVBSXAB-UHFFFAOYSA-N 538.029 4.095 10 10 KICE Cc1ccc2nc(NCCc3ccccc3)c(/C=C3/SC(=S)N(C[C@H]4CCCO4)C3=O)c(=O)n2c1 33655684 FWANLGLTOJMXSC-KNGGAZFVSA-N 506.653 4.038 10 10 KICE CCN1C(=O)/C(=C/c2nc3ccc(I)cc3c(=O)n2C)c2cc(Br)ccc21 102463679 NIYHHFRBKPUIIF-GXDHUFHOSA-N 536.167 4.208 10 10 KICE CCOc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccc(N(C)C)cc4)NN(C(=O)c4cccc(Br)c4)[C@H]3C2=O)cc1 104784289 WNZSTZVIDAYJGH-UBFVSLLYSA-N 563.452 4.174 10 10 KICE COc1ccc([C@H](C)NC(=O)C2=C(N)Oc3c(c(C)nn3Cc3cccc(F)c3)[C@@H]2c2ccc(O)c(O)c2)cc1 1864011680 JWTWZRBGXYKJLV-QMTYFTJSSA-N 544.583 4.371 10 10 KICE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCc1ccccc1F)[C@@H]2c1ccc(O)c(O)c1 1864015744 DVFBBTJZNHHQNV-JOCHJYFZSA-N 500.530 4.131 10 10 KICE CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCC(Cc3ccccc3)CC1)[C@@H]2c1ccc(O)c(O)c1 1865035504 VRHXBNNKIGVHKW-RUZDIDTESA-N 516.642 4.443 10 10 KICE O=C(N[C@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1)c1cc(-c2cccnc2)[nH]n1 1867159986 JLGZDUVXMXWYJY-MHZLTWQESA-N 527.540 4.357 10 10 KICE CC[C@@](C)(NC(=O)c1c(OC)cccc1OC)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867366622 QYDIJRVUJHFQKQ-RNWIMVQKSA-N 510.679 4.012 10 10 KICE COc1ccc(N2CCN(c3nc(=NC(=O)c4ccco4)n(-c4ccc(Cl)c(Cl)c4)[nH]3)CC2)cc1 1869969060 BXNXRLOGQREHMM-UHFFFAOYSA-N 513.385 4.177 10 10 KICE COc1ccc(N2CCN(C(=O)c3cc4c(NC[C@H]5CCCO5)ncnc4n3Cc3ccccc3)CC2)cc1 1875215964 FMDVCSYJNHZJCZ-RUZDIDTESA-N 526.641 4.042 10 10 KICE CCOc1c(I)cc(C=C2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1OC 2294208517 QQFDZFACITWCRT-UHFFFAOYSA-N 542.782 4.183 10 10 KICE COc1ccc(C=C2C(=O)NC(=O)N(c3ccc(C(C)C)cc3)C2=O)cc1CN1C(=O)c2ccccc2C1=O 2296560795 DLKJRZKNJOOEBG-UHFFFAOYSA-N 523.545 4.281 10 10 KICE COc1cc(C=C2C(=N)N3C(SC)=NSC3=NC2=O)cc(OC)c1OCCOc1ccc(C)cc1 2297333741 LPIMBLFUWCDFNH-UHFFFAOYSA-N 512.613 4.410 10 10 KICE CCN1C(=c2sc(=C3C(=O)N(c4ccccc4)N=C3C)n(-c3ccccc3)c2=O)C=Cc2ccccc21 2297708115 GBXJZNXMVRRIMU-UHFFFAOYSA-N 504.615 4.134 10 10 KICE Cc1cc(C=C2C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 2313564978 JYTDZFWSJMWCKL-UHFFFAOYSA-N 542.331 4.464 10 10 KICE O=C(CN1C(=O)C(=Cc2cc(Br)cc(Br)c2O)SC1=S)NCc1ccccc1 2314827806 MRGPNTNNGRYDIB-UHFFFAOYSA-N 542.274 4.435 10 10 KICE O=C(NN1C(=O)/C(=C2/C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)SC1=S)c1ccncc1 40846672 AMSAESVKRADOMY-VXPUYCOJSA-N 506.996 4.198 10 10 KICE COC(=O)c1ccc([C@@H]2N[C@](Cc3c[nH]c4ccccc34)(C(=O)O)[C@@H]3C(=O)N(Cc4ccc5c(c4)C(=O)c4ccccc4C5=O)C(=O)[C@@H]23)cc1 150539963 ASHDHOVQRSWQMQ-CAQQWJIOSA-N 667.674 4.242 10 10 KICE COc1ccccc1[C@@H]1N[C@](Cc2c[nH]c3ccccc23)(C(=O)O)[C@@H]2C(=O)N(Cc3ccc4c(c3)C(=O)c3ccccc3C4=O)C(=O)[C@H]12 150651135 FJMDFHMPEBJPSB-ZJBFZVIPSA-N 639.664 4.464 10 10 KICE CCCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2-c2ccc(OC)cc2)[C@@H]1c1ccc(O)c(O)c1 1864022962 SPCOMUYXEHTGSM-DEOSSOPVSA-N 542.592 4.189 10 10 KICE O=C(C[C@H](c1ccc(F)cc1)c1cccc(F)c1)N[C@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866782439 PDEDPAKQJPLPBS-XNMGPUDCSA-N 554.549 4.378 10 10 KICE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@H](CO)NC(=O)c3nn(-c4ccc(Cl)c(Cl)c4)c4c3CCC4)cccc21 1866854380 IBXGFBBFKYMLJN-QHCPKHFHSA-N 589.435 4.173 10 10 KICE CC[C@@H](NC(=O)c1cc(-c2cccc(OC)c2)on1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867145517 HKDMKIXSGFBNJZ-OAQYLSRUSA-N 509.518 4.273 10 10 KICE O=C(N[C@H](Cc1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(C2CC2)on1 1867154302 YGQDGIAIRFLFHR-HSZRJFAPSA-N 505.530 4.307 10 10 KICE COc1cc(C(=O)N[C@H](Cc2ccccc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc(OC)c1OC 1867336168 HXELKLRRFWKUTG-WDYNHAJCSA-N 588.749 4.463 10 10 KICE CN(C)c1ccc([C@H](CNC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)N2CCCCC2)cc1 1867683934 SXVJCTAHBNZLPD-LQJZCPKCSA-N 700.277 4.251 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)CCc3csc(-c4ccncc4)n3)CC2)cc1 1868910027 RRWRBEVENDVJCK-MUUNZHRXSA-N 555.704 4.223 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)C[C@H](C)c3cccc(OC)c3)CC2)cc1 1868941240 HKLTWDNHXFZYGI-ZTOMLWHTSA-N 533.644 4.413 10 10 KICE Cc1ccc(C)c(CN2C(=O)C(NCc3ccc(S(N)(=O)=O)cc3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)c1 1873167276 ZKDGYGHBCDZPIY-UHFFFAOYSA-N 568.699 4.428 10 10 KICE CCOC(=O)c1ccc(CN2C(=O)C(NCCc3cnc[nH]3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873168770 JBPWSAVZEWVXLW-UHFFFAOYSA-N 537.620 4.106 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(N[C@@H]3CCCC[C@H]3C)C(=O)N(Cc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 1873170419 ZDVPDUVBWOMXNU-NIYFSFCBSA-N 546.693 4.190 10 10 KICE Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCCCCCN=[N+]=[N-])C(C)(C)C)cc1 2080392784 AQQCBOMPDQRUHN-UWPQIUOOSA-N 657.838 4.131 10 10 KICE Cc1cccc(C)c1NC(=O)CN1C(=O)SC(=Cc2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)C1=O 2293983594 KTRZOVZSLZJYRT-UHFFFAOYSA-N 538.651 4.033 10 10 KICE CC[C@@H](C)N1C(=O)C(=Cc2c(N3CCN(c4ccc(F)cc4)CC3)nc3c(C)cccn3c2=O)SC1=S 2296732299 SLLRVAWQRYIOLL-GOSISDBHSA-N 537.686 4.468 10 10 KICE C[C@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C3SC(N4CCC(C(N)=O)CC4)=NC3=O)c2)C1 2314479393 TWOSGVWQEAJCEM-NRFANRHFSA-N 618.785 4.128 10 10 KICE CCOC(=O)N1CCN(C(=O)CCCCCN2C(=O)/C(=C\C=C\c3ccccc3)SC2=S)CC1 34990391 DAKWPWKZMCNSOD-WOQXGXMJSA-N 501.674 4.305 10 10 KICE CC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@](CC2CCCCC2)(C(=O)O)N[C@H]3c2ccc(N(C)C)cc2)cc1 102487059 UOMNMYNMPFMTNY-YRIIQKNPSA-N 517.626 4.199 10 10 KICE COc1cc(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 102577487 IHQWHWLHRJJLFR-YVLHZVERSA-N 514.566 4.398 10 10 KICE CCOc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)ccc1OCc1ccc(F)cc1 104562900 VDOAOQMUWXGIJE-KQHQIWRUSA-N 530.603 4.203 10 10 KICE CCCn1c(N2C[C@H](C)O[C@H](C)C2)c(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c(C)c(C#N)c1=O 110527752 ANBZHUSOOMNJHL-YMNHORQBSA-N 536.723 4.496 10 10 KICE CC1(C)C(/C=C/C=C2/N(CCCCS(=O)(=O)O)c3ccc(C(=O)NCCN4C(=O)C=CC4=O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)O)c2ccccc21 169723020 WLQLEYGZPUGLGQ-UHFFFAOYSA-O 767.947 4.292 10 10 KICE COc1ccc([C@H](C)NC(=O)C2=C(N)Oc3c(c(-c4ccccc4)nn3C)[C@@H]2c2ccc(O)c(O)c2)cc1OC 1864016768 WVZUZKWFZBASCI-FYSMJZIKSA-N 542.592 4.088 10 10 KICE CCCCC[C@@H](CC)NC(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccccn2)[C@@H]1c1ccc(O)c(O)c1 1864019386 XXQSMJKYMYAJDB-JPYJTQIMSA-N 505.619 4.411 10 10 KICE CCCCN(CC)C(=O)C1=C(N)Oc2c(c(CC)nn2Cc2cccc(F)c2)[C@H]1c1ccc(O)c(O)c1 1865035636 YDIHHFMRKGKRGP-HSZRJFAPSA-N 508.594 4.387 10 10 KICE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@@H](Cc3ccccc3)N3C(=O)c4ccccc4C3=O)cccc21 1866023899 FYAYZNNHQJELEV-RUZDIDTESA-N 500.510 4.308 10 10 KICE CC[C@@](C)(NC(=O)c1ccc(N2CCN(C(=O)C3CC3)CC2)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866899126 SKWCGKTZZUBGRX-UUWRZZSWSA-N 578.669 4.058 10 10 KICE O=C(N[C@H](Cc1ccc(F)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc2oc(O)nc2c1 1867124939 YMZZKULQPPRCEH-XMMPIXPASA-N 549.514 4.428 10 10 KICE CC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccc3c(c1)OCO3)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867447384 DLUFCBXUJAHTIM-LOYHVIPDSA-N 639.753 4.129 10 10 KICE CCCOC(=O)c1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCN(C)C)C2=O)cc1 1873421389 VIBIQBUTBIRCLU-UHFFFAOYSA-N 514.626 4.415 10 10 KICE CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OCc4ccccc4F)c(Cl)c3)C(=N)N21 2297345544 GIYLVLPDUNYKTQ-UHFFFAOYSA-N 506.968 4.069 10 10 KICE CCOC(=O)COc1c(I)cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1I 2313559469 BEIOENOOONLJGS-UHFFFAOYSA-N 725.071 4.267 10 10 KICE CCCCCCN1C(=O)C(=Cc2c(N3C[C@@H](C)O[C@H](C)C3)nc3ccc(C)cn3c2=O)SC1=S 2314400457 MYCYEYDLBIEKAA-QZTJIDSGSA-N 500.690 4.398 10 10 KICE COc1ccc(CCN2C(=O)C(=Cc3c(NC[C@H]4CCCO4)nc4ccc(C)cn4c3=O)SC2=S)cc1OC 2314413642 CXWHQVFSJQEULM-LJQANCHMSA-N 566.705 4.055 10 10 KICE Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(N3CCC[C@H](C)C3)nc12 2314414338 WPEYGQDHYLJLIQ-INIZCTEOSA-N 534.663 4.369 10 10 KICE O=C(O)CCN1C(=O)C(=Cc2cc(Br)ccc2OCC(=O)Nc2ccc(F)cc2)SC1=S 2314842535 YEIMEPZZGBHRRX-UHFFFAOYSA-N 539.404 4.282 10 10 KICE COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1CN1C(=O)c2ccccc2C1=O 100291833 SZXBEEKUKKUKNR-CIAFOILYSA-N 549.461 4.177 10 10 KICE O=C1C[C@H](c2ccc(O)c(O)c2)Oc2c1c(O)cc(O)c2[C@H]1C(=O)c2c(O)cc(O)cc2O[C@@H]1c1ccc(O)cc1 136707317 IMIXFUXOSFSXPC-KBKXWFDOSA-N 558.495 4.433 10 10 KICE endogenous,in-man CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1OC 254386696 PPBKMKBSRGJJCX-NDEPHWFRSA-N 575.662 4.362 10 10 KICE CCN(CC)c1ccc([C@H]2C(c3cc(OC)ccc3OC)=C(O)C(=O)N2c2ccc(S(N)(=O)=O)cc2)cc1 526315411 YCIQFIOCTRAUKX-SANMLTNESA-N 537.638 4.255 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)[C@H](C)Oc3ccccc3C(C)C)CC2)cc1 1862206909 YOQPOEZVXLLSJN-SQJMNOBHSA-N 513.704 4.173 10 10 KICE CCCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccccc1)=C(N)O2 1864013234 UAGFUEXYLLIJCV-AREMUKBSSA-N 542.611 4.488 10 10 KICE CCCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2Cc2ccccc2F)[C@@H]1c1ccc(O)c(O)c1 1864017890 XTPYSECBIVUTNQ-DEOSSOPVSA-N 544.583 4.378 10 10 KICE COc1ccc([C@@H](C(=O)N[C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C(C)C)cc1OC 1866982268 CRCSXDWNWFXFIO-GKVSMKOHSA-N 514.578 4.362 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCN(C(=O)CCN5CCCC5)CC4)nc(-c4ccccc4Cl)n3)CC2)cc1 1869240925 BIYDGZJDSRZWAV-UHFFFAOYSA-N 590.172 4.267 10 10 KICE CCCn1c(C(=O)NCCc2ccc(C)cc2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873571883 IUCYPGFNGCVWMK-UHFFFAOYSA-N 512.658 4.457 10 10 KICE COc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)ccc1OCCSc1ccccc1 2297346049 YXOKMINSWHGVNF-UHFFFAOYSA-N 544.680 4.266 10 10 KICE CCOc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c(Br)c(Br)c1O 2313560227 NGMXHHUIQKEBHR-UHFFFAOYSA-N 544.196 4.286 10 10 KICE CC(C)c1ccc(C=CC(=O)NCCc2ccc(S(=O)(=O)NC(=O)Oc3ccc(N)cc3)cc2)cc1 2330910274 FUOYXWRBPFDKPD-UHFFFAOYSA-N 507.612 4.242 10 10 KICE COc1ccc(N2CCN([C@H](CNS(=O)(=O)c3ccc(OCC(C)C)cc3)c3ccco3)CC2)cc1 38619483 NMOMPDMPFXOQLF-AREMUKBSSA-N 513.660 4.165 10 10 KICE O=C1NC(=O)N(c2cccc(Br)c2)C(=O)/C1=C\c1cc(Br)c(N2CCCC2)o1 59302068 HAYNKYSDDMDAMI-ZROIWOOFSA-N 509.154 4.071 10 10 KICE O=C(O)CCNC(=O)c1ccc(/N=N/c2cc(C(=O)NCCC(=O)O)ccc2/N=N/c2ccc(O)c(C(=O)O)c2)cc1 77285338 IBCQZTYNNGNNDJ-HIPRBATPSA-N 576.522 4.330 10 10 KICE in-vitro CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc5c(c4)OCO5)c3C)c(=O)n2[C@H]1c1ccc(OCC)cc1 252675395 TYUFXLVMJAVCKW-LJAQVGFWSA-N 585.682 4.333 10 10 KICE COc1cccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3sc(=Cc4ccc(N5CCCCC5)cc4)c(=O)n32)c1 254606458 GJSDFJNWOSAYFV-HHHXNRCGSA-N 531.678 4.186 10 10 KICE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccs1)=C(N)O2 1864009528 AAWDRWMVHUAZNG-HSZRJFAPSA-N 532.622 4.317 10 10 KICE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)NC(C)C)=C(N)O3)cc1 1864022007 IJANJNCOSLOTCK-XMMPIXPASA-N 542.592 4.187 10 10 KICE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)N(C)C2CCCCC2)[C@@H]3c2ccc(O)c(O)c2)cc1 1865027030 DGOBVEIGKNUMMJ-RUZDIDTESA-N 502.615 4.445 10 10 KICE Cc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCc3ccccc31)=C(N)O2 1865027282 XIJVUQKLAFFUJU-AREMUKBSSA-N 526.568 4.464 10 10 KICE Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC1)=C(N)O2 1865028680 XUVUCBRRVRWMPJ-FQEVSTJZSA-N 501.370 4.216 10 10 KICE CCCN(CCC(=O)OCC)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2CCC)[C@H]1c1ccc(O)c(O)c1 1865031565 JWRHXZJEUIBAKU-XMMPIXPASA-N 548.640 4.258 10 10 KICE CCCOc1ccc([C@@H]2C(C(=O)N3CCN(c4ccc(OC)cc4)CC3)=C(N)Oc3c2c(CC)nn3CC)cc1 1865272545 LGUYHESFWOXAJL-SANMLTNESA-N 545.684 4.306 10 10 KICE CN(C)c1ccc([C@@H](CNC(=O)c2c[nH]c3c(F)cc(Br)cc3c2=O)N2CCCCC2)cc1 1866442557 VJKTVAHJHUSTAM-JOCHJYFZSA-N 515.427 4.453 10 10 KICE O=C(CCc1ccco1)N[C@H](Cc1ccc(F)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866576368 MWNNBVDRHCFCBS-RUZDIDTESA-N 510.521 4.493 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(N[C@H]3CCCC[C@H]3C)C(=O)N(Cc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 1873170418 ZDVPDUVBWOMXNU-BCHFMIIMSA-N 546.693 4.190 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(C(=O)OC(C)C)cc3)C(=O)N(CCN3CCOCC3)C2=O)cc1 1873425793 MBOCREJTPLEENP-UHFFFAOYSA-N 556.663 4.184 10 10 KICE COc1ccc(N2CCN(CCCNC(=O)c3ccc(C=C4Oc5ccccc5NC4=O)cc3)CC2)cc1 2297417579 ALDVTNDKBFXSKD-UHFFFAOYSA-N 512.610 4.009 10 10 KICE COc1c(I)cc(I)cc1C=C1C(=O)NC(=O)N(c2cccc(C)c2C)C1=O 2313548084 LDHFLQRHWRBORS-UHFFFAOYSA-N 602.166 4.188 10 10 KICE CCCCCNc1nc2ccccn2c(=O)c1C=C1SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O 2314414340 WPNCLKLUVDXMNA-UHFFFAOYSA-N 508.625 4.427 10 10 KICE COc1ccc(N2CCN(S(=O)(=O)c3ccc(F)c(C(=O)Nc4ccc(C)c(F)c4)c3)CC2)cc1 3031872 CTIMHAILCRXBSG-UHFFFAOYSA-N 501.555 4.045 10 10 KICE CCn1c(/C=C2/C(=O)N(C)c3ccc(Br)cc32)nc2ccc(I)cc2c1=O 100023062 ZKTHJVTUQATKCS-GXDHUFHOSA-N 536.167 4.301 10 10 KICE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)c(C)c1 102836236 ICROHRFYGWHVEZ-MEGCXXLRSA-N 525.677 4.245 10 10 KICE Cc1ccc2nc(NCC(C)C)c(/C=C3\SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(=O)n2c1 109501934 SWHPXEBIPJERAU-BKUYFWCQSA-N 560.705 4.274 10 10 KICE Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 1084044425 XCQWNBUAMQMLHP-RGVLZGJSSA-N 509.316 4.431 10 10 KICE COc1ccc([C@@H](C)NC(=O)C2=C(N)Oc3c(c(-c4ccccc4)nn3C)[C@@H]2c2ccc(O)c(O)c2)cc1OC 1864016769 WVZUZKWFZBASCI-GYCJOSAFSA-N 542.592 4.088 10 10 KICE CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cn(C)c3ccccc13)=C(N)O2 1864017817 VXVJYRIMUSBQHO-MHZLTWQESA-N 549.631 4.391 10 10 KICE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1C)=C(N)O2 1865026741 RODQCSTWYAIHOB-CMJOXMDJSA-N 509.006 4.400 10 10 KICE CCCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C)CC1)=C(N)O2 1865029954 ZEGPPTPZLBKPJL-DEOSSOPVSA-N 502.615 4.248 10 10 KICE CC[C@@](C)(NC(=O)[C@H](Cc1ccccn1)c1ccccc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868667611 KJVUPLFEKFIZSE-POURPWNDSA-N 500.643 4.050 10 10 KICE CCOC(=O)c1ccccc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCc2cnc[nH]2)C1=O 1873425819 GPABGJJKLXJTNC-UHFFFAOYSA-N 523.593 4.429 10 10 KICE COc1ccc(N2CCN(C(=O)c3cc4c(NCCCCCO)ncnc4n3Cc3ccccc3)CC2)cc1 1875218534 QQTPFAGMVKPJOK-UHFFFAOYSA-N 528.657 4.025 10 10 KICE COc1ccc(C=C2SC(=S)N(CCC(=O)N3CCN(C4=NC(=O)C(=Cc5ccc(C)cc5)S4)CC3)C2=O)cc1 2297300651 NSAGNGZDZOVVAW-UHFFFAOYSA-N 592.768 4.410 10 10 KICE COc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OC(=O)c1ccccc1F 2297347669 ROEGXCDWNFHMBG-UHFFFAOYSA-N 500.280 4.266 10 10 KICE COc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 2313558475 BRXSAJDUIIAWCP-UHFFFAOYSA-N 507.499 4.153 10 10 KICE Cc1cc(C=C2C(=O)NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(N2CCCC2)c([N+](=O)[O-])c1 2313631534 PWTSWNCSZDUFJB-UHFFFAOYSA-N 513.554 4.265 10 10 KICE CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)ccc1O[C@H](C)C(=O)O 2314933700 CNQLAPBVWCIRRX-GFCCVEGCSA-N 506.989 4.137 10 10 KICE CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3O)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 103518713 WZDFHMILTLGENP-XQNWCSQWSA-N 579.719 4.148 10 10 KICE CCOCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2NCCc2ccc(OC)c(OC)c2)SC1=S 143239070 QVJDMDWUYMGNHK-JLPGSUDCSA-N 570.737 4.348 10 10 KICE CSCC[C@]1(C(=O)O)N[C@H](c2cc(Cl)ccc2[N+](=O)[O-])[C@H]2C(=O)N(Cc3ccc4c(c3)C(=O)c3ccccc3C4=O)C(=O)[C@H]21 247495300 CWXDBKAIZXOZDJ-NBTLCYJSSA-N 634.066 4.046 10 10 KICE COC(=O)c1ccc(C(=O)OC)c(N2C(=O)C(O)=C(c3ccc(Cl)cc3)[C@H]2c2ccc(O)c(O)c2)c1 526602131 YBOHHSQGJOIHTN-JOCHJYFZSA-N 509.898 4.382 10 10 KICE O=C(O)[C@@H](Cc1ccc(O)cc1)N1C(=O)/C(=C\c2cc(Cl)cc(Br)c2O)SC1=S 1858592815 YDIVBGCOJVSQNV-LSRDKYIXSA-N 514.806 4.411 10 10 KICE Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccccc1)=C(N)O2 1864010481 UIYXMKHAFRUENC-VWLOTQADSA-N 549.002 4.497 10 10 KICE COc1ccc([C@@H](C)NC(=O)C2=C(N)Oc3c(c(-c4ccccc4)nn3C)[C@@H]2c2ccc(O)c(O)c2)cc1 1864016331 MLSZRYOEUIQIER-MWTRTKDXSA-N 512.566 4.079 10 10 KICE CCCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2-c2ccccc2)[C@H]1c1ccc(O)c(O)c1 1864023502 ZQUNNLWSALPXSB-HSZRJFAPSA-N 512.566 4.180 10 10 KICE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4CC(C)C)[C@H]3c3ccccc3C)CC2)cc1 1865653044 XHNFPXXGYGVCMK-AREMUKBSSA-N 515.658 4.208 10 10 KICE CCOc1cc(C(=O)N[C@@H](C)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc(OCC)c1OCC 1867389970 IYELMHIKYVJIPC-NVQXNPDNSA-N 554.732 4.410 10 10 KICE COCCCN1C(=O)c2ccc(C(=O)N[C@H](Cc3ccc(F)cc3)C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O 1867514142 BUQZJXYWJWXIIF-CZNDPXEESA-N 657.787 4.209 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCc5cc(OC)c(OC)cc5C4)nc(-c4cccnc4)n3)CC2)cc1 1868004882 UJUCWUNOQKFLGL-UHFFFAOYSA-N 538.652 4.454 10 10 KICE COc1ccc(N2CCN(c3cc(N4CC(=O)N5CCc6ccccc6[C@@H]5C4)nc(Cc4ccccc4)n3)CC2)cc1 1869084921 DPTRRYPMGCYPFK-PMERELPUSA-N 560.702 4.349 10 10 KICE COc1ccc(OCCNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCn3ccnc3)C2=O)cc1 1873165674 TWZHLMMJLSQVQF-UHFFFAOYSA-N 539.636 4.138 10 10 KICE CCCCCN1C(=O)C(=Cc2c(N3CCN(Cc4ccccc4)CC3)nc3ccccn3c2=O)SC1=S 2296540320 RTVXJXLRIOUELM-UHFFFAOYSA-N 533.723 4.408 10 10 KICE C[C@@H](c1ccccc1)N1C(=O)C(=Cc2c(N3C[C@@H](C)O[C@H](C)C3)nc3ccccn3c2=O)SC1=S 2296541890 DMILYCJQXMSZDS-KURKYZTESA-N 506.653 4.271 10 10 KICE N=C1C(=Cc2ccc(OS(=O)(=O)c3ccccc3)c(Cl)c2)C(=O)N=C2SC(c3cccnc3)=NN12 2297469900 LNPGNOMCTDCNJF-UHFFFAOYSA-N 523.983 4.170 10 10 KICE CCN1C(=O)NC(=O)C(=Cc2cn(CCOc3ccccc3F)c3ccc(Br)cc23)C1=O 2313624324 POGHJYJPQVMZNN-UHFFFAOYSA-N 500.324 4.104 10 10 KICE CCOc1cc(/C=C2\SC(=S)N(CCS(=O)(=O)O)C2=O)ccc1OCc1ccccc1Cl 39910113 WTNSDSROSCLNCB-UNOMPAQXSA-N 514.046 4.407 10 10 KICE Cc1c(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c(N2C[C@H](C)C[C@@H](C)C2)n(C)c(=O)c1C#N 39989574 QSJYEFYXSOXNNK-SOCDCLKXSA-N 506.697 4.492 10 10 KICE COCc1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(SCc2ccc(C(=O)NCc3ccco3)o2)n1 98015174 LSFAIFDVHDLJCM-UHFFFAOYSA-N 549.653 4.367 10 10 KICE CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c4ccccc4n3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 105537503 HUHUVPVFSLJUEP-XXMKCSCWSA-N 533.053 4.066 10 10 KICE O=C(O)COc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(OCc4ccccc4)cc3)C2=O)cc1 210825466 VJSJMFIOBPXJPT-HMAPJEAMSA-N 520.588 4.275 10 10 KICE CCOC(=O)c1c(NC(=O)C(=O)NCCCN(CC)CC)sc(C)c1-c1ccc(Br)cc1 1860758230 HHUDIQCCTPRXRF-UHFFFAOYSA-N 524.481 4.449 10 10 KICE CCN(CC)CCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(Cl)cc2)[C@@H]1c1ccc(O)c(O)c1 1864007384 LSNNFOISUWCFKO-DEOSSOPVSA-N 540.064 4.178 10 10 KICE CCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN(CC)CC)=C(N)O2 1864020051 VDCHOXXNPVAARW-QHCPKHFHSA-N 540.064 4.042 10 10 KICE CCCCOC(=O)c1ccc(CNC(=O)C2=C(N)Oc3c(c(CC)nn3CCC)[C@H]2c2ccc(O)c(O)c2)cc1 1864020733 GBULJUFIYHDXOL-XMMPIXPASA-N 548.640 4.235 10 10 KICE CCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](C)C1)=C(N)O2 1865032324 AGJLZXDVRAQVNB-MHECFPHRSA-N 502.615 4.167 10 10 KICE COc1ccccc1C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867913950 XDESYDMYXJODIY-WDYNHAJCSA-N 544.696 4.151 10 10 KICE COc1ccc(N2CCN(Cc3cc(=O)c(OC)cn3C[C@@H](c3ccccc3)N3CCCC3)CC2)cc1 1870555916 DIILFYCHOHXKCK-NDEPHWFRSA-N 502.659 4.025 10 10 KICE O=C(O)c1cc(C(=O)O)cc(-c2ccc(C=C3SC(=O)N(CC(=O)c4ccc([N+](=O)[O-])cc4)C3=O)o2)c1 2297561820 FPEMJYBAMDKHOZ-UHFFFAOYSA-N 522.447 4.170 10 10 KICE C[C@H]1CCCN(C2=NC(=O)C(=Cc3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N4CCOCC4)c3)S2)C1 2314476321 MSAZPIHYDCJUQY-NRFANRHFSA-N 577.732 4.262 10 10 KICE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N(CCC(=O)O)C2=O)c1 2314476443 OPUWLAKWTCAEHE-UHFFFAOYSA-N 570.718 4.246 10 10 KICE CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)cc(Br)c1OCC(=O)N1CCOCC1 2314765183 XAFLLVREGCYQEP-UHFFFAOYSA-N 640.965 4.285 10 10 KICE CCCCn1c(N2CCN(c3ccccc3)CC2)c(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)c(C)c(C#N)c1=O 110531175 DZMVTVQZRQUCIL-MOHJPFBDSA-N 579.748 4.221 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)cc3O)c(=O)n2[C@@H]1c1ccccc1Cl 252676917 XVSUAWIMTNWRFS-XMMPIXPASA-N 526.058 4.004 10 10 KICE CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1OC)=C(N)O2 1864018477 LTTLADDATVUKGV-VWLOTQADSA-N 544.583 4.064 10 10 KICE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccco1)=C(N)O2 1864018860 SNFQIRMXCLEYKZ-JOCHJYFZSA-N 538.963 4.302 10 10 KICE CCCc1nn(CCC)c2c1[C@@H](c1ccccc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865017070 FISNXLAUNUSBFC-RUZDIDTESA-N 515.658 4.298 10 10 KICE CCc1sc(NC(=O)CNC(=O)c2ccc(N)cc2)c(C(=O)OC)c1-c1ccc(Br)cc1 1866101819 FITCICBHHLPJGT-UHFFFAOYSA-N 516.417 4.477 10 10 KICE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4cccc(F)c4)cn3CCCCCO)CC2)cc1 1870615551 JVHPSFQTSPHBCR-UHFFFAOYSA-N 509.622 4.060 10 10 KICE COC(=O)c1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(Cc3cccnc3)C2=O)cc1 1873165449 OTPLYVFOJWEIQM-UHFFFAOYSA-N 520.589 4.346 10 10 KICE CCCOC(=O)c1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCN(C)C)C2=O)c1 1873421023 CNYYYWWQQNXZFY-UHFFFAOYSA-N 514.626 4.415 10 10 KICE Cc1c(NC(=O)CCN2C(=O)C(=Cc3ccc(Br)cc3)SC2=S)c(=O)n(-c2ccccc2)n1C 2297313666 AAIGOHWGQFBNRM-UHFFFAOYSA-N 557.495 4.477 10 10 KICE COc1cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OCCOc1ccc(NC(C)=O)cc1 12471015 UHMRQINYBFFIGD-XDXPSGJKSA-N 521.599 4.387 10 10 KICE CC[C@H](C)N1C(=O)/C(=C\c2c(N3CCN(c4ccccc4F)CC3)nc3ccc(C)cn3c2=O)SC1=S 100880750 CQWNMVTZCRHLSH-LUJYGJGBSA-N 537.686 4.468 10 10 KICE CCOC(=O)C1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N(Cc3ccc(OC)cc3)C2=O)CC1 103101467 CKQAPLDQLFFOAJ-XQNSMLJCSA-N 578.716 4.192 10 10 KICE COc1ccc(C2=C(O)C(=O)N(c3ccccc3N3CCOCC3)[C@@H]2c2ccc(O)c(O)c2)cc1OC 526500253 IOTWUYOEFWMTCL-AREMUKBSSA-N 504.539 4.009 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@H]1c1cc(OC)ccc1OC 1084642628 JWRWVRLTTULFOP-NDEPHWFRSA-N 602.669 4.131 10 10 KICE CCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H]1CCCC[C@H]1C)=C(N)O2 1864018868 SOUOUSXVVQSUNZ-WONHAXNMSA-N 520.605 4.434 10 10 KICE COC(=O)c1c(NC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)sc(C)c1-c1ccc(C)cc1 1866022653 DUUONTNSGCHGMO-UHFFFAOYSA-N 507.524 4.352 10 10 KICE CC[C@@](C)(NC(=O)c1cc(-c2ccc(OC)cc2)nc(O)n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866623515 WXGKYHMOEBTUQV-WJOKGBTCSA-N 550.571 4.170 10 10 KICE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4cccc(C)c4)cn3CCCCCO)CC2)cc1 1870622182 SNYJSIYITPQNBL-UHFFFAOYSA-N 505.659 4.229 10 10 KICE O=C1C(=Cc2c(NC[C@H](O)c3ccccc3)nc3ccccn3c2=O)SC(=S)N1Cc1ccc(F)cc1 2296546327 VICBLXCSBYIUPT-NRFANRHFSA-N 532.622 4.381 10 10 KICE COc1ccc(OCCn2cc(C=C3C(=O)N(C)c4ccc(S(=O)(=O)N5CCOCC5)cc43)c3ccccc32)cc1 2297508919 ZIWGABAHTQPUBW-UHFFFAOYSA-N 573.671 4.267 10 10 KICE C[C@@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C3SC(N4CCC(C(N)=O)CC4)=NC3=O)c2)C1 2314479394 TWOSGVWQEAJCEM-OAQYLSRUSA-N 618.785 4.128 10 10 KICE Cc1ccc(S(=O)(=O)N2C[C@@H](C)N(S(=O)(=O)c3ccc(C)cc3)[C@@H]2c2ccc(N(C)C)cc2)cc1 20368132 NLVRURDWWRNKGZ-QFQXNSOFSA-N 513.685 4.152 10 10 KICE COc1ccc(NC(=O)CN2C(=O)/C(=C3/SC(=S)N(Cc4ccccc4)C3=O)c3ccccc32)cc1 33330016 YLKSVYSYYIFRGX-WCWDXBQESA-N 515.616 4.452 10 10 KICE CCc1nn2c(=O)cc(COc3ccc(/C=C4\C(=N)N5N=C(C6CCCCC6)SC5=NC4=O)cc3)nc2s1 101498233 CRYMXXMNCLFQEF-HBDRGQTGSA-N 547.666 4.492 10 10 KICE CC(C)Oc1c(I)cc(I)cc1/C=C1\C(=O)NC(=O)N(CCc2ccccc2)C1=O 164067264 ZGLPOCZLRFQZPU-GZTJUZNOSA-N 630.220 4.388 10 10 KICE Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccccc1)=C(N)O2 1864008361 IXCZUCKVCWFALP-XMMPIXPASA-N 516.985 4.299 10 10 KICE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccncc1)=C(N)O2 1864013039 OQRXMASXMODYKH-XMMPIXPASA-N 546.027 4.355 10 10 KICE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCC1)=C(N)O2 1864019070 VKHVJGVKXJJXBR-JOCHJYFZSA-N 509.006 4.312 10 10 KICE Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCC(Cc3ccccc3)CC1)[C@H]2c1ccc(O)c(O)c1 1865031642 LGJFZZIXHHUYFI-FQEVSTJZSA-N 528.531 4.026 10 10 KICE CCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(Cc3ccccc3)CC1)=C(N)O2 1865034984 IOFJUXULTFPSIR-DEOSSOPVSA-N 502.615 4.053 10 10 KICE CC[C@@H](NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1Cl)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866625850 VHTBABICDDLXAN-HSZRJFAPSA-N 580.062 4.193 10 10 KICE COc1ccc(C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1OC 1867314606 YTGPSGJUJWPHRP-WDYNHAJCSA-N 574.722 4.160 10 10 KICE CCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2C[C@@H](C)N(CCCOC)[C@H](C)C2)n1 1868274336 BMSPHFQXVHRSNS-WOJBJXKFSA-N 513.642 4.494 10 10 KICE COCCCN1[C@H](C)CN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(-c3ccccc3)n2)C[C@H]1C 1869203258 BGCWZRNNOMCBOU-JWQCQUIFSA-N 530.717 4.414 10 10 KICE CC(C)NC(=O)COc1cn(CCCn2ccnc2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870947030 KDFIYZIOADHQKP-UHFFFAOYSA-N 514.630 4.394 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3cn(C)c4ccccc34)C(=O)N(CCCN3CCOCC3)C2=O)cc1 1873162020 BWSZJHZSCUTWJC-UHFFFAOYSA-N 565.718 4.220 10 10 KICE COc1ccc(OCCNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(Cc3ccccn3)C2=O)cc1 1873165226 JFPGFLOXNXPARD-UHFFFAOYSA-N 522.605 4.446 10 10 KICE COc1ccc(C=C2C(=O)NC(=S)N(CCC3=CCCCC3)C2=O)cc1CN1C(=O)c2ccccc2C1=O 2297510199 GMDMTWPZZBTDFJ-UHFFFAOYSA-N 529.618 4.009 10 10 KICE Cc1c(N2C(=O)C(=Cc3c(N4CCN(c5ccc(F)cc5)CC4)nc4ccccn4c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C 2314408620 RWYGZVOBTLFYMS-UHFFFAOYSA-N 653.765 4.364 10 10 KICE CCOCCCNc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(CCc2ccc(OC)c(OC)c2)C1=O 100885067 XRIMXPVIOMDUMO-HAVVHWLPSA-N 568.721 4.303 10 10 KICE Cc1ccc(CNc2nc3ccc(C)cn3c(=O)c2/C=C2/SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1 102683639 JTOWINQKZXSGJS-CIPMJJFUSA-N 506.653 4.304 10 10 KICE Cc1c(N2C(=O)/C(=C/c3c(NC[C@H](O)c4ccccc4)nc4ccccn4c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C 110555657 XMBQQAMYEYVJRM-HBVBNRCBSA-N 610.721 4.044 10 10 KICE CCOC(=O)c1c(NC(=O)C(=O)NCc2ccc3c(c2)OCO3)sc(C)c1-c1ccc(OCC)cc1 1860762529 JFRLTDUVJWVOCJ-UHFFFAOYSA-N 510.568 4.283 10 10 KICE CCCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN(C)C)=C(N)O2 1864013577 CVQGZZBZKTXQEP-SANMLTNESA-N 541.652 4.152 10 10 KICE CCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCC1)=C(N)O2 1864018635 PLRZAUHBHMEGKP-QHCPKHFHSA-N 506.578 4.188 10 10 KICE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOc3ccccc31)=C(N)O2 1865026486 OFOLOTCDRRUDLZ-RUZDIDTESA-N 544.995 4.425 10 10 KICE CCCc1nn(CCC)c2c1[C@H](c1ccc(OC)cc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865636495 CSYGNCHATUVDBY-SANMLTNESA-N 545.684 4.306 10 10 KICE C[C@@H](NC(=O)[C@H](Cc1ccccn1)c1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866680817 ALGRFDZWMZCUAN-KBMIEXCESA-N 503.558 4.327 10 10 KICE CSCC[C@H](NC(=O)Cc1ccc2nc(O)c(C)cc2c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866918440 PZMANLIZKVQCQW-VWLOTQADSA-N 553.640 4.443 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)c3cccc(-n4cccc4)c3)CC2)cc1 1868614706 VKEQLFWSLALNRF-LJAQVGFWSA-N 508.622 4.176 10 10 KICE COc1ccc(N2CCN(C(=O)c3cc4c(NC[C@H](c5ccc(O)cc5)N(C)C)ncnc4n3Cc3ccco3)CC2)cc1 1875235271 JCAKJCCCEKMHTM-SSEXGKCCSA-N 595.704 4.464 10 10 KICE O=C1N=C(N2CCN(c3ccccc3[N+](=O)[O-])CC2)SC1=Cc1ccccc1OS(=O)(=O)c1ccccc1 2296056498 YXOUWYLDJUKTDD-UHFFFAOYSA-N 550.618 4.155 10 10 KICE COc1ccc(N2CCN(C(=O)c3sc4ncn(CC(=O)Nc5ccc(C)c(Cl)c5)c(=O)c4c3C)CC2)cc1 2925833 GALMBYDMRLNMKJ-UHFFFAOYSA-N 566.083 4.338 10 10 KICE O=C(/C=C/c1cc(O)c2oc(-c3ccc(O)c(O)c3)c(C(=O)O[C@@H](Cc3ccc(O)c(O)c3)C(=O)O)c2c1)O[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 85849039 KROVXXIIXUFKOO-YMJUMSIWSA-N 716.604 4.144 10 10 KICE biogenic C[C@@H]1CCCN(C2=NC(=O)/C(=C\c3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N(C)C)c3)S2)C1 103572663 HYKQMXKPAACTDH-GXDFBKAQSA-N 535.695 4.492 10 10 KICE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccco1)=C(N)O2 1864010153 IVQGOSIRPAXBTN-QFIPXVFZSA-N 520.973 4.493 10 10 KICE CCOCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1864011818 LNQGRUXXARHTGU-QFIPXVFZSA-N 547.439 4.195 10 10 KICE CCCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2)[C@H]1c1ccc(O)c(O)c1 1864015343 OZXNFZUYTIXWBA-LJQANCHMSA-N 516.520 4.362 10 10 KICE CCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)C[C@@H](C)C1)=C(N)O2 1865034598 AEOMREUCUBIFHO-OJLQRUNKSA-N 520.605 4.243 10 10 KICE CCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCC1)=C(N)O2 1865035446 UDSYFGRCJINKCV-JOCHJYFZSA-N 509.006 4.266 10 10 KICE COc1cccc2c1C(=O)N([C@H](C(=O)Nc1ccc3c(c1)C(=O)c1ccccc1C3=O)c1ccccc1)C2=O 1865839483 FCSNBKSZGVENAW-SANMLTNESA-N 516.509 4.447 10 10 KICE CSCC[C@@H](NC(=O)c1cc(C)n(-c2ccccc2)n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866840248 QHLZQSKMJMDIRC-XMMPIXPASA-N 538.629 4.446 10 10 KICE O=C(N[C@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1)c1cc(-c2ccncc2)[nH]n1 1867160822 FTFSIMSGTBUIBY-MHZLTWQESA-N 527.540 4.357 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)[C@H](c3ccc(Cl)cc3)C3CC3)CC2)cc1 1868866813 BPWFUZXKBHIJMY-DQEYMECFSA-N 516.107 4.429 10 10 KICE CCCC[C@H](NC(=O)c1cc(-c2ccc(F)c(F)c2)[nH]n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868934411 IKJLVSMOKFMLJY-QHCPKHFHSA-N 511.573 4.001 10 10 KICE CCCOc1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCN3CCOCC3)C2=O)c1 1873425628 IWNZPANOPBWESW-UHFFFAOYSA-N 528.653 4.407 10 10 KICE Cc1ccc(C=C2SC(=S)N(CCC(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)C2=O)cc1 2297450994 YOYKMQBOLMEHSU-UHFFFAOYSA-N 544.705 4.482 10 10 KICE O=C1C(=Cc2c(N3CCSCC3)nc3ccccn3c2=O)SC(=S)N1CCCc1ccccc1 2297460079 IKLRCBLVPLGASE-UHFFFAOYSA-N 508.694 4.082 10 10 KICE CCOc1c(I)cc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc1OC 2313560855 JGGGQNQMSFIXTM-UHFFFAOYSA-N 587.233 4.292 10 10 KICE COc1ccc(CN2C(=O)/C(=C\c3c(NC[C@@H]4CCCO4)nc4ccc(C)cn4c3=O)SC2=S)cc1 35300144 SYVKXEWJRLUBFL-CIPMJJFUSA-N 522.652 4.004 10 10 KICE C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2c(N3CCC4(CC3)OCCO4)nc3ccccn3c2=O)SC1=S 100920175 VDIMNIHUYUDAQH-KOXKPCSVSA-N 534.663 4.000 10 10 KICE O=C1/C(=C/c2ccccc2)SC(=S)N1CCC(=O)N(Cc1ccc(N2CCCCC2)o1)[C@H]1CCS(=O)(=O)C1 101909560 LDEUYAKKLYJLMF-BAVLMPOVSA-N 573.762 4.077 10 10 KICE CCC(=O)O[C@H]1[C@@H](OC(=O)CC)[C@H](n2ccc(O)nc2=O)O[C@@]1(CO[P@@]1(=O)OCC[C@H](c2cccc(Cl)c2)O1)N=[N+]=[N-] 602987252 DOIJDQFWSCXUHP-GYEGNBBJSA-N 627.931 4.084 10 10 KICE CCOC(=O)c1c(NC(=O)C(=O)NCc2ccc(C(=O)O)cc2)sc(C)c1-c1ccc(OCC)cc1 1860762927 WSCQRGYAJLBVGE-UHFFFAOYSA-N 510.568 4.252 10 10 KICE Cc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOc1ccccc1)=C(N)O2 1864012108 RGLNGUNTGNDCSZ-RUZDIDTESA-N 547.011 4.194 10 10 KICE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccn1)=C(N)O2 1864013269 UPYVRDIKLKSPNX-XMMPIXPASA-N 546.027 4.355 10 10 KICE CC[C@H](NC(=O)c1ccc(N2CCN(C(=O)C(C)(C)C)CC2)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866901443 XYIUTCDGIRNAEI-SANMLTNESA-N 580.685 4.304 10 10 KICE CCC[C@H](NC(=O)c1c(OC)cccc1OC)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867364489 LJWWDWOLWUPWHZ-BJKOFHAPSA-N 510.679 4.012 10 10 KICE COc1ccc(CCN2C(=O)c3ccc(C(=O)NC(C)(C)C(=O)NC[C@@H](c4ccc(N(C)C)cc4)N4CCCCC4)cc3C2=O)cc1 1867500814 LZSCRSISJXTMLC-YTTGMZPUSA-N 639.797 4.452 10 10 KICE COc1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c([N+](=O)[O-])cc1OC 1867807208 UROGAHXCLZSIEK-LMSSTIIKSA-N 603.720 4.363 10 10 KICE Cc1nnc([C@H](CC(=O)NCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c2cccc(Br)c2)o1 1868155947 ASUGPJWHBCPSBP-OAQYLSRUSA-N 573.403 4.193 10 10 KICE CCOCCCN1C(=O)C(Nc2ccc3c(c2)OCCO3)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422893 UUPKHZVLGAGOLZ-UHFFFAOYSA-N 501.583 4.484 10 10 KICE COC(=O)Cc1ccc(NC(=O)Cn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@H]32)cc1 1873950711 XIFFUWUFMUIPAF-LJAQVGFWSA-N 508.578 4.142 10 10 KICE COCCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCc3ccc(C)cc3)ncnc21 1875222772 OKNOGIHMWWPDBL-UHFFFAOYSA-N 528.657 4.359 10 10 KICE CCOc1ccc(NC(=O)CN2C(=O)C(=C3SC(=S)N(Cc4ccco4)C3=O)c3ccccc32)cc1 2296545470 UATZCBODIVNQJM-UHFFFAOYSA-N 519.604 4.435 10 10 KICE CCOCCCNc1nc2ccc(C)cn2c(=O)c1C=C1SC(=S)N(Cc2ccc(F)cc2)C1=O 2314414405 YAQQLYNEXPNXNJ-UHFFFAOYSA-N 512.632 4.382 10 10 KICE Cc1cccn2c(=O)c(C=C3SC(=S)N(CCC(=O)O)C3=O)c(Oc3ccccc3Cl)nc12 2314509485 UPNXQVKGJOAISQ-UHFFFAOYSA-N 501.973 4.125 10 10 KICE O=C1C(=Cc2ccccc2)SC(=S)N1CCCC(=O)N(Cc1ccc(N2CCCCC2)o1)[C@@H]1CCS(=O)(=O)C1 2314828500 DBNMHKIXVLOOIG-JOCHJYFZSA-N 587.789 4.467 10 10 KICE CC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)/C1=C/Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 100148887 ZDBLTVSRRKSGSI-SFQUDFHCSA-N 529.833 4.386 10 10 KICE COc1ccc(N2CCN(c3ncnc(Nc4ccc(I)cc4)c3[N+](=O)[O-])CC2)cc1 101471456 KAJRWPTUQCSANA-UHFFFAOYSA-N 532.342 4.068 10 10 KICE CCCCN1C(=O)/C(=C\c2c(N3CCN(c4ccccc4OC)CC3)nc3ccc(C)cn3c2=O)SC1=S 102703958 SROZLBFUWIBGSO-HAVVHWLPSA-N 549.722 4.339 10 10 KICE COc1ccc([C@@H](C)NC(=O)C2=C(N)Oc3c(c(C)nn3-c3ccccc3)[C@H]2c2ccc(O)c(O)c2)cc1 1864007277 JLNZMGHAMOLBDH-PUAOIOHZSA-N 512.566 4.173 10 10 KICE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCC(C)C)=C(N)O2 1864019018 UIBKXEJVBJPPDU-JOCHJYFZSA-N 511.022 4.415 10 10 KICE CCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1c(F)cccc1Cl 1865145213 LLXDVBLVPCOTBK-QHCPKHFHSA-N 526.012 4.056 10 10 KICE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4C)[C@@H]3c3ccc(Cl)cc3Cl)CC2)cc1 1865178251 LUVOGHXVSWIOIO-QFIPXVFZSA-N 528.440 4.087 10 10 KICE CCc1nn(CC(C)C)c2c1[C@H](c1ccc(C)cc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865193803 AFPAIBPAWAUQID-SANMLTNESA-N 529.685 4.462 10 10 KICE Cc1nc(C)c(CC(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)s1 1866571145 USGCMBQPHWKYGF-DEOSSOPVSA-N 523.614 4.444 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)Cc3cc(-c4ccccc4)on3)c3ccccc3)CC2)cc1 1868808767 BGXMUEFPLBVVLG-LJAQVGFWSA-N 510.594 4.099 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)[C@@H]3CCCN3Cc3ccccc3F)CC2)cc1 1868817454 UNFSOKDHTNNADU-KYJUHHDHSA-N 562.661 4.014 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)Cc3ccc4nc(O)c(C(C)C)cc4c3)C(C)C)CC2)cc1 1868910928 UYNLFNUFJMENLV-MUUNZHRXSA-N 518.658 4.105 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)Cc4cccs4)n(-c4cccc(Cl)c4)n3)CC2)cc1 1869969966 BLCVTUYKSIOQFZ-UHFFFAOYSA-N 509.035 4.499 10 10 KICE Cc1cccn2c(=O)c(C=C3SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(NC[C@@H](O)c3ccccc3)nc12 2314476291 MCZGMDKTRVWJKE-XMMPIXPASA-N 624.748 4.352 10 10 KICE Cc1ccc(S(=O)(=O)N2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccc(N(C)C)cc2)cc1 59074295 QVUIEJYHAVPTMV-RUZDIDTESA-N 508.600 4.205 10 10 KICE COc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)ccc1OCc1cccc(C(=O)O)c1 1084625360 SCQOTMKHXWPSEC-BKUYFWCQSA-N 500.507 4.256 10 10 KICE CCCCCCNC(=O)C(=O)Nc1sc(C)c(-c2ccc(OCC(=O)N(CC)CC)cc2)c1C(=O)OC 1860763699 NQBGIIKQFQEGDK-UHFFFAOYSA-N 531.675 4.392 10 10 KICE CC[C@](C)(NC(=O)COc1ccc(OC)cc1C(C)(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862172660 WMNDBVBJMBCMCR-LJAQVGFWSA-N 511.663 4.014 10 10 KICE Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1c[nH]c3ccccc13)=C(N)O2 1864008900 UVQWEVWTJOSMPS-HHHXNRCGSA-N 535.604 4.186 10 10 KICE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CC1)=C(N)O2 1864012715 HKYFJWKDBMOFLA-OAQYLSRUSA-N 512.969 4.061 10 10 KICE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC)=C(N)O2 1864017555 OVWYLHPEMGFBHC-HXUWFJFHSA-N 533.412 4.000 10 10 KICE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC1)=C(N)O2 1865030106 CIIFNCIFQASCLP-JOCHJYFZSA-N 509.006 4.266 10 10 KICE CCCc1nn(CC)c2c1[C@@H](c1ccccc1C)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865657435 WIEQDZMEXGAUBV-RUZDIDTESA-N 515.658 4.216 10 10 KICE CN(C)c1ccc([C@@H](CNC(=O)CCCN2C(=O)c3ccc(Br)cc3C2=O)N2CCCCC2)cc1 1866022890 SMIBZTCGFJNKGG-XMMPIXPASA-N 541.490 4.235 10 10 KICE COc1cc(C(=O)N[C@@H](C)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c(Br)c(OC)c1OC 1867451427 SIMAFMVMQSQZMR-PGRDOPGGSA-N 591.547 4.003 10 10 KICE CC[C@@](C)(NC(=O)c1ccc(F)c(F)c1F)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867814261 PURKOLUMZFEESB-WXVAWEFUSA-N 504.597 4.412 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)Cc3nc(-c4ccccc4OC)oc3C)CC2)cc1 1868652646 VQOATMVBQQTZCJ-LJAQVGFWSA-N 568.674 4.286 10 10 KICE Cc1ccc2nc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)c(C=C3SC(=S)N(Cc4ccco4)C3=O)c(=O)n2c1 2296730353 ZYJCZFHMYOSEMO-UHFFFAOYSA-N 601.710 4.048 10 10 KICE CN1C(=O)C(=Cc2ccc(OCC(=O)N3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)cc2)SC1=S 2313630380 IXSZSTAOUVAIFT-UHFFFAOYSA-N 566.583 4.172 10 10 KICE Cc1cc(Oc2nc3ccccn3c(=O)c2C=C2SC(=S)N(CCC(=O)O)C2=O)ccc1Cl 2314508789 QTCIKYDZGPLIGL-UHFFFAOYSA-N 501.973 4.125 10 10 KICE COc1ccc(N2CCN(c3cc(C(=O)O)c4cc(NS(=O)(=O)c5cccc(F)c5)ccc4n3)CC2)cc1 102314545 KRPACWUXXVQKMI-UHFFFAOYSA-N 536.585 4.208 10 10 KICE CN1C(=O)C(=Cc2ccc(Sc3nc4ccc(N5C(=O)[C@H]6[C@@H]7C=C[C@@H](C7)[C@@H]6C5=O)cc4s3)c([N+](=O)[O-])c2)C(=O)N(C)C1=O 103806152 ZAUVWUILAHZWOB-CYFXWZIOSA-N 615.649 4.101 10 10 KICE N#Cc1ccccc1[C@@H]1N[C@](Cc2c[nH]c3ccccc23)(C(=O)O)[C@@H]2C(=O)N(Cc3ccc4c(c3)C(=O)c3ccccc3C4=O)C(=O)[C@@H]12 150639707 JSEXHLURYMHSIQ-ASLHIYRDSA-N 634.648 4.327 10 10 KICE CCOC(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C\c3ccc(O)c(OCC)c3)SC2=S)cc1 210698165 MMSCKJWVCOMXHH-XSFVSMFZSA-N 500.598 4.198 10 10 KICE CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(CN(C)N5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C 575190647 HOWFLFURDYGQJW-VOGPXDRFSA-N 838.996 4.348 10 10 KICE CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccco1)=C(N)O2 1864010332 KNOHGDVYBBMLPK-JOCHJYFZSA-N 520.973 4.493 10 10 KICE CCCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCC1)=C(N)O2 1864013040 ORSDMQVFNBCDDD-HSZRJFAPSA-N 506.578 4.188 10 10 KICE CCCN(CCC)C(=O)C1=C(N)Oc2c(c(CC)nn2Cc2cccc(F)c2)[C@@H]1c1ccc(O)c(O)c1 1865035065 KJYATXVYBKAKGH-QHCPKHFHSA-N 508.594 4.387 10 10 KICE CC[C@](C)(NC(=O)CCS(=O)(=O)c1cccc(Cl)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866887251 JGYJPDBSWOOXAR-NDEPHWFRSA-N 553.036 4.203 10 10 KICE CCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867919763 GPUSZCZMGILZCS-XZWHSSHBSA-N 599.732 4.384 10 10 KICE CCC[C@@H](NC(=O)Cc1nc(-c2ccc(C)cc2)oc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868639229 HNKIMPXFAQZOGP-RUZDIDTESA-N 504.631 4.143 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3cccc(Br)c3)C(=O)N(CCN3CCOCC3)C2=O)cc1 1873425572 GGMOGTUMVMFYRS-UHFFFAOYSA-N 549.469 4.381 10 10 KICE CCOc1cc(C=C2SC(=S)N([C@H](CCC(N)=O)C(=O)O)C2=O)ccc1OCc1ccccc1Cl 2314541453 LZFALFIFOBMHJF-QGZVFWFLSA-N 535.043 4.238 10 10 KICE C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)C(=Cc2ccc(-c3ccccc3)cc2)SC1=S 2314837647 VIEMXCRQIOPRFE-MRXNPFEDSA-N 523.661 4.229 10 10 KICE CCc1ccc(C(C)=CC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 2329489970 IRJYQEAIXIHPGD-PMERELPUSA-N 527.665 4.443 10 10 KICE CCCCn1c(N2CCN(C)CC2)c(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)c(C)c(C#N)c1=O 110529184 MPZDNSUHZGMJPN-JLPGSUDCSA-N 535.739 4.290 10 10 KICE COc1cc(/C=C2/SC(=S)N(CCCCCC(=O)NCc3ccccc3)C2=O)cc(OC)c1O 210759027 UFVYNVFKTBLNOL-RCCKNPSSSA-N 500.642 4.487 10 10 KICE CCOc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1Br 1084257208 HWBCJXGLHWLRAE-QPEQYQDCSA-N 512.129 4.416 10 10 KICE COc1ccc([C@@H](C)NC(=O)C2=C(N)Oc3c(c(-c4ccccc4)nn3C)[C@H]2c2ccc(O)c(O)c2)cc1OC 1864016771 WVZUZKWFZBASCI-VOIUYBSRSA-N 542.592 4.088 10 10 KICE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)N(C)Cc2ccccc2)[C@@H]3c2ccc(O)c(O)c2)cc1 1865028742 ZPRZHKCAYNXCCE-AREMUKBSSA-N 510.594 4.313 10 10 KICE CCCc1nn(CCC)c2c1[C@H](c1ccc(O)cc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865117367 JVTHCLUQUKKLLK-VWLOTQADSA-N 531.657 4.003 10 10 KICE CC(C)(NC(=O)CCS(=O)(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866809041 BTENWHFWELYBHF-UHFFFAOYSA-N 560.672 4.457 10 10 KICE CC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccc3c(c1)OCO3)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867447385 DLUFCBXUJAHTIM-XZWHSSHBSA-N 639.753 4.129 10 10 KICE CSCC[C@H](NC(=O)c1cccc(F)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867843423 WDQBCRRHZILASG-LOSJGSFVSA-N 500.684 4.087 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCN(c5ncccn5)CC4)nc(-c4ccccc4Cl)n3)CC2)cc1 1867978486 BOHWOSUSSBUXMU-UHFFFAOYSA-N 543.075 4.249 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3nc(C(C)(C)C)n4ccccc34)c3ccccc3)CC2)cc1 1868785062 RAKSNGSYSTUIKK-AREMUKBSSA-N 525.653 4.460 10 10 KICE CCCC[C@H](NC(=O)[C@H](c1ccc(OC)c(OC)c1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868863771 MTXLZCTVHKGRNM-LSYYVWMOSA-N 525.690 4.476 10 10 KICE COc1ccc(N2CCN(c3nc(=NCc4cccc(C)c4)[nH]c(=Nc4ccc(C)cc4C)[nH]3)CC2)cc1 1871602736 CKTGPSUNIUOWGH-UHFFFAOYSA-N 509.658 4.332 10 10 KICE CCN1C(=O)C(=Cc2cn(CCOc3ccc(C)cc3)c3ccc(Br)cc23)C(=O)NC1=S 2313624423 RZVPWJWBIXLNHI-UHFFFAOYSA-N 512.429 4.438 10 10 KICE O=C(COc1cc(Cl)c(Cl)cc1Cl)NN1C(=O)C(=C2C(=O)Nc3ccccc32)SC1=S 2314397478 QGQYOCCSFHIYKG-UHFFFAOYSA-N 514.799 4.281 10 10 KICE CCOC(=O)CCN1C(=O)C(=Cc2cc(Br)c(OCC(=O)N3CCCCC3)c(OCC)c2)SC1=S 2314761876 ZFJPDXGJLNMOEL-UHFFFAOYSA-N 585.542 4.394 10 10 KICE CCOC(=O)CNC(=O)N1Cc2c(C)nn(-c3ccccc3)c2-n2cccc2[C@H]1c1ccc(N(C)C)cc1 33266845 UZWUQIZCJFREHP-HHHXNRCGSA-N 512.614 4.215 10 10 KICE C[C@H]1C[C@@H](C)CN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)C1 100886099 FTMMPSOLINHEJK-ZYVKARGFSA-N 534.663 4.307 10 10 KICE CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N(c4ccc(S(N)(=O)=O)cc4)N=C3C(F)(F)F)o2)cc1 103638498 OSUSIQUUWVKDAT-CPNJWEJPSA-N 533.484 4.119 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)cc3O)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 254715985 WZDFHMILTLGENP-MUUNZHRXSA-N 579.719 4.148 10 10 KICE CCOC(=O)c1c(NC(=O)C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)sc(C)c1-c1ccccc1 1860759426 ANBIKUUIPWIILX-UHFFFAOYSA-N 515.632 4.354 10 10 KICE Cc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(C(F)(F)F)c1)=C(N)O2 1864009423 HAQBSBRVIZDDEN-OAQYLSRUSA-N 516.520 4.289 10 10 KICE CCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2c(F)cccc2Cl)[C@H]1c1ccc(O)c(O)c1 1864010046 NVWOPUIVCDCYRC-JOCHJYFZSA-N 514.985 4.445 10 10 KICE C[C@@H]1CCCN(C(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3Cc3cccc(F)c3)[C@@H]2c2ccc(O)c(O)c2)C1 1865033970 LWXMINJPHGTSSI-VLIAUNLRSA-N 546.521 4.454 10 10 KICE CCc1nn(C)c2c1[C@@H](c1ccc(Cl)c(Cl)c1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865169896 FABSQRVMZRQFQA-JOCHJYFZSA-N 542.467 4.341 10 10 KICE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)[C@H]3CC(=O)N(c4ccccc4)C3)cccc21 1866863519 XEDSVBNNRYHFTG-RBTNQOKQSA-N 575.596 4.320 10 10 KICE CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CC(=O)N3CC(C)(C)c4ccccc4[C@@H]3C2)n1 1869138782 UVLPNGLYQLGHNF-SANMLTNESA-N 526.685 4.055 10 10 KICE CCOc1ccc(-c2nc(N3CCC(CN4CCOCC4)CC3)cc(N3CCN(c4ccc(OC)cc4)CC3)n2)cc1 1869322505 IKZZIYSUMZXLOL-UHFFFAOYSA-N 572.754 4.426 10 10 KICE CCOc1ccc(CC(=O)Nc2nc(N3CCN(c4ccc(OC)cc4)CC3)nn2-c2ccccc2)cc1 1869971100 XEIYCJQDGRXTAQ-UHFFFAOYSA-N 512.614 4.182 10 10 KICE CCOC(=O)COc1cn(CCCn2ccnc2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871149956 YCGHPXNPCLPEES-UHFFFAOYSA-N 501.587 4.433 10 10 KICE CCOC(=O)CCN1C(=O)C(=Cc2cc(Br)c(OCC(=O)N(CC)CC)c(OCC)c2)SC1=S 2314760905 NGJSOKYCIDVNFJ-UHFFFAOYSA-N 573.531 4.249 10 10 KICE CCN1C(=O)C(=C2SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)c2cc(Br)ccc21 2314765244 YQCYQFICAYPDSG-UHFFFAOYSA-N 522.833 4.385 10 10 KICE CC[C@@H](Oc1ccc(C=C2SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)cc1OC)C(=O)O 2314932525 NKYKSJIHQWZTFG-OAHLLOKOSA-N 506.989 4.137 10 10 KICE CCOc1cc(C=C2SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)ccc1OCCC(=O)O 2314933788 DJDLQFRQJQQXMQ-UHFFFAOYSA-N 506.989 4.138 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)C=Cc3ccc(Cl)cc3Cl)CC2)cc1 2330439897 ZQGHRKAPEYZDQZ-JOCHJYFZSA-N 506.455 4.266 10 10 KICE C=CCN(CC=C)CN1C(=O)/C(=C2\SC(=S)N(c3cc(OC)ccc3OC)C2=O)c2ccccc21 33642307 PZPCVJNAEVCXNI-FCQUAONHSA-N 507.637 4.458 10 10 KICE CN1C(=O)/C(=C/c2cn(CC(=O)N3CCCc4ccccc43)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 101378162 HLTVWASNVORRND-TURZUDJPSA-N 596.709 4.159 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)CCCOc3ccc(Cl)cc3)CC2)cc1 1862233096 JOIVPXITMYNKCB-XMMPIXPASA-N 520.095 4.094 10 10 KICE CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1OC)=C(N)O2 1864012514 BXJATXUHOINLEQ-AREMUKBSSA-N 540.620 4.315 10 10 KICE CC(=O)Nc1cccc(C(=O)N[C@H](Cc2ccccc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867638613 IUXRMJZLPQJFLL-FIRIVFDPSA-N 555.723 4.396 10 10 KICE CCCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCN(C(=O)CCN3CCCC3)CC2)n1 1868386787 HQADGQCRITWIDM-UHFFFAOYSA-N 552.679 4.083 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)Cc3ccc(F)cc3)CC2)cc1 1868762769 FRMZPWRVSSDURA-DFHRPNOPSA-N 503.618 4.089 10 10 KICE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccccc4C)cn3C[C@H]3CCCO3)CC2)cc1 1870626658 GREBZLJLISFTOU-MUUNZHRXSA-N 503.643 4.246 10 10 KICE COc1ccc(N2CCN(C(=O)C3CCN(CC(=O)Nc4ccc(Cl)c(Cl)c4)CC3)CC2)cc1 9070033 PJOKGKGGIBTDNE-UHFFFAOYSA-N 505.446 4.001 10 10 KICE Cc1ccccc1OCCOc1ccc(/C=C2\C(=N)N3N=C(S(=O)(=O)CC(C)C)SC3=NC2=O)cc1 101399422 AVDSNCPCFCCZOO-RDJYZGLESA-N 526.640 4.100 10 10 KICE O=C(/C=C\c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)Nc1ccc(N2CCN(C(=O)/C=C\c3ccccc3)CC2)cc1 206018944 QCVCUWYOLJCTEQ-UOUVAZQYSA-N 567.646 4.445 10 10 KICE COC(=O)c1c(NC(=O)[C@@H](CCC(N)=O)NC(=O)OC(C)(C)C)sc(C)c1-c1ccc(C)c(C)c1 1866239166 GDMRAPOXKQVCRU-QGZVFWFLSA-N 503.621 4.224 10 10 KICE Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1[N+](=O)[O-] 1867843779 CFVODVARMGCDDZ-BHBYDHKZSA-N 618.691 4.268 10 10 KICE CCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCN(c3ccccc3OC)CC2)n1 1867976830 RTUYAPITCKZGRP-UHFFFAOYSA-N 502.663 4.100 10 10 KICE CCn1c(=O)c2cc(S(=O)(=O)Nc3nc(-c4ccc(Cl)cc4Cl)cs3)ccc2n(CC)c1=O 1892089715 KJMMZQIYGHDXNJ-UHFFFAOYSA-N 525.439 4.434 10 10 KICE O=C1C(=Cc2ccc(F)cc2)SC(=S)N1CC(=O)N(Cc1c(F)cccc1Cl)[C@H]1CCS(=O)(=O)C1 2314603380 VRUQSWQJGAGHFU-INIZCTEOSA-N 557.065 4.035 10 10 KICE CCn1c(N2CCC(C)CC2)c(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)c(C)c(C#N)c1=O 33813447 PWZIKIRILQKWGR-ZHZULCJRSA-N 516.689 4.131 10 10 KICE CCCn1c(NCCc2ccccc2)c(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c(C)c(C#N)c1=O 40066724 QXEQWRLHSYJCAC-QFVADWCQSA-N 522.696 4.473 10 10 KICE CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1cccc(OC)c1OC 100590691 DZTKFDOBMYYHDD-YMWOEAMWSA-N 569.683 4.019 10 10 KICE Cc1ccc(CNc2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1 102836067 INLOGMAYRDQIGH-IOVUBPJKSA-N 506.653 4.304 10 10 KICE CCOc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1OC 103858001 JCNDXJBAOXOUFQ-ZSOIEALJSA-N 524.165 4.285 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)c(N(CC)CC)cc3OC)c(=O)n2[C@H]1c1ccc(OC)cc1OC 252670418 KNKIBWMKGWSLMT-MHZLTWQESA-N 644.588 4.433 10 10 KICE CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccn1)=C(N)O2 1864011571 VLLPKGGTLBNCSC-QHCPKHFHSA-N 532.000 4.295 10 10 KICE CC(C)CNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1864015098 JMIMNTXHYVYPRL-KRWDZBQOSA-N 522.911 4.423 10 10 KICE CC[C@@](C)(NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867922244 GPHYQEHOAKUDFZ-ANHUGMMASA-N 599.732 4.384 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3cc(-c4cc(F)ccc4F)n(C)n3)c3ccccc3)CC2)cc1 1868940251 FLOYCPHCVYDXQK-MUUNZHRXSA-N 545.590 4.194 10 10 KICE CC(=O)NCCN1C(=O)C(Nc2ccccc2OCC(C)C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873423254 ANCPUCGJYNXODL-UHFFFAOYSA-N 514.626 4.457 10 10 KICE COc1ccc(NC(=O)CN2C(=O)/C(=C3/SC(=S)N(Cc4ccccc4)C3=O)c3ccccc32)c(OC)c1 2533227 RDRPOMWDOGUAHI-OCOZRVBESA-N 545.642 4.461 10 10 KICE CCCn1c(N2CCCC2)c(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)c(C)c(C#N)c1=O 39990012 IAIQKWSMPQSQOF-UUYOSTAYSA-N 522.652 4.169 10 10 KICE Cc1c(N2C(=O)/C(=C\c3c(N4CCN(c5ccccc5F)CC4)nc4ccccn4c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C 150432466 PGCYOWYPCONDJN-LHLOQNFPSA-N 653.765 4.364 10 10 KICE CCOC(=O)COc1c(Cl)cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1Cl 208468913 RCIDXJWMOCQECE-VGOFMYFVSA-N 513.786 4.420 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](CSCc3ccccc3)NC(=O)c3ccc(F)cc3)CC2)cc1 1862068366 WOKDWGIYVKBPHD-AREMUKBSSA-N 507.631 4.215 10 10 KICE Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(Cl)cc1)=C(N)O2 1864009050 YKJBQPJIUXFLKI-RUZDIDTESA-N 531.012 4.358 10 10 KICE CCC[C@@H](NC(=O)c1cc(C2CC2)n2nc(C)cc2n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867169952 UMNRPPWWUMFTII-JOCHJYFZSA-N 521.577 4.228 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)[C@@H](c3ccc(Cl)cc3)C3CC3)CC2)cc1 1868866814 BPWFUZXKBHIJMY-JWQCQUIFSA-N 516.107 4.429 10 10 KICE COCCCN1[C@@H](C)CN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(-c3ccccc3)n2)C[C@@H]1C 1869203257 BGCWZRNNOMCBOU-DQEYMECFSA-N 530.717 4.414 10 10 KICE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC(NCc2ccc(Br)cc2O)C1 2250347136 MGPOAOQEJPSRHC-UHFFFAOYSA-N 500.434 4.101 10 10 KICE COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(Cl)c4)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 2735307 WMRNNAWHIINULY-LWUPDDLQSA-N 534.037 4.388 10 10 KICE CCN(CC)CCOC(=O)c1ccc(NC(=O)CN2C(=O)/C(=C/c3ccc(OC)cc3)SC2=S)cc1 6511886 LMTAMTNGZWOXJF-JWGURIENSA-N 527.668 4.034 10 10 KICE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(Cc4ccco4)C3=O)c(N3CCN(c4ccccc4)CC3)nc12 102604179 BEPQQMSLAFKAKJ-HAVVHWLPSA-N 543.674 4.324 10 10 KICE O=C1[C@H]2[C@H](C(=O)N1c1ccc(Br)cc1)C1(O[C@H]2c2ccccc2)C(=O)c2ccccc2C1=O 227644417 DSJBJCIWKMIGGD-HBMCJLEFSA-N 502.320 4.144 10 10 KICE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccc(S(=O)(=O)NC(=O)Oc2ccc(N)cc2)cc1 1858958899 WHSVLVFSRSKXGZ-AWEZNQCLSA-N 538.409 4.137 10 10 KICE CCCCOCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(Cl)cc2)[C@@H]1c1ccc(O)c(O)c1 1864007425 MJCSRJUNQFTCBY-QHCPKHFHSA-N 527.021 4.263 10 10 KICE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)NCc2ccccc2)[C@@H]3c2ccc(O)c(O)c2)c1 1864010753 BMGJHWZBMBBQPA-AREMUKBSSA-N 510.594 4.279 10 10 KICE CCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(C)cc1)=C(N)O2 1864018826 RMNOLKBTXFKOMO-AREMUKBSSA-N 542.611 4.406 10 10 KICE CCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@@H](C)C1)=C(N)O2 1865034601 AEOMREUCUBIFHO-XVTZWQNCSA-N 520.605 4.243 10 10 KICE C[C@H](NC(=O)C[C@@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866719171 ARBNCWPSNRDJLH-GAJHUEQPSA-N 524.573 4.260 10 10 KICE COc1cc(C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc(OC)c1OC 1867339220 JUBOXEMHTORPNU-WDYNHAJCSA-N 604.748 4.169 10 10 KICE CC[C@](C)(NC(=O)Cc1ccc2nc(O)c(C(C)C)cc2c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868913133 OVDRMTPSGCKZSI-PMERELPUSA-N 518.658 4.249 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)CCc4ccccc4OC)n(-c4ccccc4)n3)CC2)cc1 1869969972 KNHGBOUFHJRDAV-UHFFFAOYSA-N 512.614 4.182 10 10 KICE O=C(O)CCCCCN1C(=O)C(=Cc2c(N3CCc4ccccc4C3)nc3ccccn3c2=O)SC1=S 2296848672 RSFLQMLIWNFVFR-UHFFFAOYSA-N 534.663 4.103 10 10 KICE COc1ccc(CCN2C(=O)C(=Cc3c(NC[C@@H]4CCCO4)nc4c(C)cccn4c3=O)SC2=S)cc1 2297460320 FTUHYMCQMFLAQV-FQEVSTJZSA-N 536.679 4.046 10 10 KICE O=C(CN1C(=O)C(=Cc2cccs2)SC1=S)Nc1sc2c(c1C(=O)NCc1cccnc1)CCC2 2314603356 PJZMBOWJKCXTDC-UHFFFAOYSA-N 540.717 4.463 10 10 KICE CCCCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CCCC)c2N2CCOCC2)SC1=S 39990292 DLAQZORQJQIZOF-PGMHBOJBSA-N 502.706 4.447 10 10 KICE NS(=O)(=O)c1ccc(NC(=O)COc2ccccc2/C=C2/SC(=S)N(Nc3nc4ccccc4s3)C2=O)cc1 210511416 GKSOWLWHRWINPL-FYJGNVAPSA-N 597.725 4.190 10 10 KICE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccn1)=C(N)O2 1864013148 QXZGUCFLDNQEAF-DEOSSOPVSA-N 546.027 4.355 10 10 KICE CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@H](C)C1)=C(N)O2 1865034908 HOLSOGJRNOXQPX-UAVUOLJFSA-N 520.605 4.243 10 10 KICE O=C(C[C@H](c1ccc(F)cc1)c1cccc(F)c1)N[C@@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866782435 PDEDPAKQJPLPBS-VPUSJEBWSA-N 554.549 4.378 10 10 KICE CCCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867356553 SACRHNVOMGASBS-UIOOFZCWSA-N 509.651 4.293 10 10 KICE CCCC[C@@H](NC(=O)c1cccc(NC(C)=O)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867637993 GOIGOEJBGQOFAI-VSGBNLITSA-N 521.706 4.343 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)C[C@H](c3ccc4c(c3)OCCO4)C3CC3)CC2)cc1 1868692611 CVGQXTVMEQWSEJ-XZWHSSHBSA-N 569.702 4.426 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)C[C@@H](C)c3cccc(OC)c3)c3ccccc3)CC2)cc1 1868943718 QKDKJOOSBCCHDA-MNNSJKJDSA-N 501.627 4.404 10 10 KICE CC[C@H](NC(=O)Cc1nc(-c2cccc(Br)c2)oc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869007899 QTBNJVCUJQBCLK-QHCPKHFHSA-N 555.473 4.207 10 10 KICE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccccc4)cn3CCCCCCO)CC2)cc1 1870469758 UHSJJRPGJNTKOS-UHFFFAOYSA-N 505.659 4.311 10 10 KICE COCCOC(=O)COc1cn(CCCCCCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870907305 FEISHSDOASTLJC-UHFFFAOYSA-N 523.630 4.325 10 10 KICE COc1ccc(N2CCN(c3nc(=NCc4ccccc4F)[nH]c(=Nc4cc(C)cc(C)c4)[nH]3)CC2)cc1 1871549645 HLMRHMPBDCHSQJ-UHFFFAOYSA-N 513.621 4.162 10 10 KICE CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3cc(C)n(-c4cccc(C(F)(F)F)c4)c3C)C(=N)N21 2297345490 BKOOBWFEGQXNDF-UHFFFAOYSA-N 509.535 4.124 10 10 KICE CCN(C(=O)CN1C(=O)C(=C2SC(=S)N(NC(=O)c3cccs3)C2=O)c2ccccc21)c1ccccc1 2297559607 UPBVCSGZMLGYIT-UHFFFAOYSA-N 548.671 4.064 10 10 KICE COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3Cl)C2=O)c(C(=O)O)c1OC 16906230 LCBFCWRNHWMUKQ-VGOFMYFVSA-N 513.380 4.255 10 10 KICE CCn1c(NCc2ccc(OC)cc2)c(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c(C)c(C#N)c1=O 40066478 AFDYUVHYCBNQRU-ZIHVZMLCSA-N 524.668 4.049 10 10 KICE Cc1ccccc1OCCOc1ccc(/C=C2\C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)cc1 102764697 UMJYWGUKBRRDBI-RJQQKCKVSA-N 531.638 4.475 10 10 KICE CCCn1c(N2CCN(Cc3ccccc3)CC2)c(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c(C)c(C#N)c1=O 110525192 CNBKNMSHWDZKCP-WBXJAQJHSA-N 577.776 4.141 10 10 KICE O=C1c2c(O)c(Br)c(Br)c(O)c2C(=O)c2c(O)c(Br)c(Br)c(O)c21 196592217 QGALPHGIIWEXMC-UHFFFAOYSA-N 587.796 4.334 10 10 KICE COc1c(I)cc(I)cc1/C=C1\C(=O)NC(=O)N(c2cccc(C)c2C)C1=O 1084575223 LDHFLQRHWRBORS-RIYZIHGNSA-N 602.166 4.188 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc(C(=O)OCC)cc4)c3C)c(=O)n2[C@H]1c1ccccc1OC 1084624736 BHYVPXWLQVXTLB-LJAQVGFWSA-N 599.709 4.391 10 10 KICE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCc1ccc(Cl)cc1)[C@@H]2c1ccc(O)c(O)c1 1864022789 RDHXDCSZODSUJE-GOSISDBHSA-N 536.938 4.430 10 10 KICE Cc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1C)=C(N)O2 1865027581 ZILREDFYYVVHFC-NPMXOYFQSA-N 509.006 4.400 10 10 KICE CC1CCN(C(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3Cc3ccc(F)cc3)[C@@H]2c2ccc(O)c(O)c2)CC1 1865034478 XNKHEHHCVHOACH-FQEVSTJZSA-N 546.521 4.454 10 10 KICE CC[C@@](C)(NC(=O)[C@@H](Cc1ccccn1)c1ccccc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868667608 KJVUPLFEKFIZSE-BHBYDHKZSA-N 500.643 4.050 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)C[C@H](C)c3ccc(Cl)cc3)CC2)cc1 1868684712 XLCBJNGMEHLEQY-CYFREDJKSA-N 504.096 4.429 10 10 KICE CCN(CC)CCN1C(=O)C(NCc2ccc(OC)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873166515 RHJMBEOWJDCOBM-UHFFFAOYSA-N 500.643 4.314 10 10 KICE CCCCN1C(=O)C(=Cc2c(N3CCN(c4ccccc4)CC3)nc3ccccn3c2=O)SC1=S 2296252599 MLXOBCQRXFBSGB-UHFFFAOYSA-N 505.669 4.022 10 10 KICE Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3cc(Br)cc(I)c3O)C2=O)c1 2313510424 FJSGHXLQXVFQAQ-UHFFFAOYSA-N 541.139 4.043 10 10 KICE COc1cc(C=C2SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)ccc1OCC(=O)N1CCCCC1 2314765184 XAVXNGFCNVSHTR-UHFFFAOYSA-N 546.070 4.286 10 10 KICE CCCCN(C(=O)/C=C\c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1c(N)n(CCC)c(=O)[nH]c1=O 33481764 OYJXSXBUNPRLNR-SSZFMOIBSA-N 530.604 4.367 10 10 KICE Cc1ccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(CC(=O)N5CCCCC5)SC4=NC3=O)cc2)cc1 102469037 MSZRAHWWIUIJLK-BJDNMCPZSA-N 531.638 4.475 10 10 KICE CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 103518861 YWDHQGBKWRWAML-NNAGEYCMSA-N 593.746 4.451 10 10 KICE COc1cc(/C=C2/C(=O)NC(=O)N(c3cc(C)c(C)cc3Br)C2=O)cc(I)c1OC 103814571 NSPKUQVGVARCNS-QPEQYQDCSA-N 585.192 4.354 10 10 KICE COc1cc(/C=C2/C(=O)NC(=S)N(c3cccc(C)c3)C2=O)ccc1OCc1cccc(C(=O)O)c1 1084270979 WRTJULQQALNMHC-BKUYFWCQSA-N 502.548 4.112 10 10 KICE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCC(C)C)=C(N)O2 1864012734 IAFPPOFYVBVEPQ-JOCHJYFZSA-N 511.022 4.415 10 10 KICE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCCO)=C(N)O2 1864017694 RWZLEJMJGBDZIN-NRFANRHFSA-N 547.439 4.126 10 10 KICE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NCc1ccc(F)cc1)[C@@H]2c1ccc(O)c(O)c1 1864017744 UFTSMOOAOKZXEY-HSZRJFAPSA-N 530.556 4.140 10 10 KICE CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1ccc(CC)cc1 1865503240 QQSKKTBFNNPSKU-AREMUKBSSA-N 529.685 4.470 10 10 KICE CC[C@](C)(NC(=O)Cc1ccc2nc(O)c(C)cc2c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866918713 RXOVNCUBXYHYIN-HKBQPEDESA-N 521.573 4.490 10 10 KICE COc1cccc(C(=O)N[C@@H](Cc2ccc(OC(C)=O)cc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867384649 OHANZUCTRTXBRS-ACHIHNKUSA-N 586.733 4.371 10 10 KICE CC(=O)Oc1ccc(C[C@@H](NC(=O)c2ccccc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867774524 LCUCAHZYFGRLPW-JSOSNVBQSA-N 556.707 4.362 10 10 KICE CN(C)c1ccc([C@H](CNC(=O)C(C)(C)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)N2CCCCC2)cc1 1867780824 UWJCINFOARQHSH-MHZLTWQESA-N 550.704 4.113 10 10 KICE O=C(CCc1nc(-c2ccc(F)cc2)cs1)NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1868149862 IPMXUOLYKPSFKF-UHFFFAOYSA-N 513.550 4.412 10 10 KICE COc1ccc(N2CCN(C(=O)CNC(=O)c3cc(C4CC4)n4nc(-c5ccccc5Cl)cc4n3)CC2)cc1 1869005569 FAHHEJVFBKGVMI-UHFFFAOYSA-N 545.043 4.014 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)CCOc3ccccc3)CC2)cc1 1874643316 WGTSZINSFIZVBC-GDLZYMKVSA-N 526.637 4.022 10 10 KICE COc1ccc(N2CCN(CCC(=O)c3ccc(OC(=O)Cc4ccc(OC)cc4OC)cc3)CC2)cc1 1874739324 BAQWCEMEQVZHNI-UHFFFAOYSA-N 518.610 4.256 10 10 KICE CCOC(=O)CCCCCN1C(=O)C(=C2SC(=S)N(CCCCCC(=O)OCC)C2=O)SC1=S 2297550314 AIQSYNLAAPIPBY-UHFFFAOYSA-N 546.758 4.166 10 10 KICE COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1 2313682489 DFRDNPAHPZGQOD-UHFFFAOYSA-N 598.066 4.192 10 10 KICE O=C1C(=Cc2ccccc2)SC(=S)N1CCC(=O)N(Cc1ccc(N2CCCCC2)o1)[C@H]1CCS(=O)(=O)C1 2314828806 LDEUYAKKLYJLMF-NRFANRHFSA-N 573.762 4.077 10 10 KICE CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc([N+](=O)[O-])cc3C)c2C)c2cc(S(=O)(=O)N3CCOCC3)ccc21 8778129 OLWPHQFXZUPAKJ-XYGWBWBKSA-N 550.637 4.239 10 10 KICE CCOc1cc(/C=C2/SC(N3CCN(C4=NC(=O)/C(=C\c5ccc(O)c(OCC)c5)S4)CC3)=NC2=O)ccc1O 100223237 ZHNFPHZBUHWUIL-DFEHQXHXSA-N 580.688 4.154 10 10 KICE CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3C)C2=O)ccc1OCC(=O)N1CCCCC1 101746184 KNGBYVUHJQFHTI-XQNSMLJCSA-N 539.679 4.331 10 10 KICE CCCC[C@H](CC)CN1C(=O)/C(=C/c2c(N3CCC4(CC3)OCCO4)nc3ccccn3c2=O)SC1=S 110572436 KGZPVXUDPVLTHA-AJNNJPABSA-N 542.727 4.455 10 10 KICE CC(=O)N1CC[N+]([O-])(c2ccc(OC[C@H]3CO[C@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 1848435203 TVMVVRYAPWZNJP-OZXSUGGESA-N 547.439 4.205 10 10 KICE CCCCOCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2-c2ccccc2)[C@H]1c1ccc(O)c(O)c1 1864011617 WRUJUEDMTZZEMM-XMMPIXPASA-N 520.630 4.254 10 10 KICE Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOc3ccccc31)=C(N)O2 1865026873 BXNXWVCYLZNYCU-XMMPIXPASA-N 530.968 4.366 10 10 KICE Nc1ccc(Cc2ccc(NC(=O)[C@H](OC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)C(=O)O)cc2)cc1 1865971729 RJROOJJWIPINGA-KAYWLYCHSA-N 538.556 4.334 10 10 KICE CC(=O)Oc1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867722634 RSAICTQDAXNVDS-JSOSNVBQSA-N 556.707 4.362 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](C)Cc3ccc(F)cc3)CC2)cc1 1868762770 FRMZPWRVSSDURA-DWACAAAGSA-N 503.618 4.089 10 10 KICE CCOC(=O)C1CCN(c2nc3ccccc3cc2C=C2SC(=S)N(C[C@H]3CCCO3)C2=O)CC1 2314648347 XAFAPFYATUNORD-HXUWFJFHSA-N 511.669 4.395 10 10 KICE O=C(CCN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S)Nc1ccc(O)c(C(=O)O)c1 1792496 RQYHENFZDHWVHO-CXUHLZMHSA-N 507.387 4.083 10 10 KICE Cc1ccsc1CN(C(=O)CCCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)[C@@H]1CCS(=O)(=O)C1 207325527 JNFUJAQJAOEAMG-CVNFFVDQSA-N 552.740 4.393 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3ccc4nc(C)c(C)nc4c3)c3ccccc3)CC2)cc1 1862077492 QDNBGGMVUTUTJI-NDEPHWFRSA-N 509.610 4.075 10 10 KICE Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCC1=CCCCC1)=C(N)O2 1864008297 HSBBASKYKBWJKU-VWLOTQADSA-N 500.599 4.352 10 10 KICE Cc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H]1CCCC[C@H]1C)=C(N)O2 1864011961 NUCJPKHCJDWPHD-VEQVNTQVSA-N 506.578 4.180 10 10 KICE CCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCc3ccccc3C1)=C(N)O2 1865035380 RZWJNTMNRTYKMP-AREMUKBSSA-N 540.595 4.324 10 10 KICE CN(C)c1ccc([C@H](CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2ccc(F)cc2)N2CCCCC2)cc1 1867342745 RLZFHZUTBJTYDZ-VMPREFPWSA-N 532.660 4.282 10 10 KICE CN(C)c1ccc([C@H](CNC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)N2CCCCC2)cc1 1867828377 NPRNKJUOUZTCSF-WDYNHAJCSA-N 588.665 4.254 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCN(c5ccc6oc(O)nc6c5)CC4)nc(C(C)C)n3)CC2)cc1 1869088158 PZQCUAICYNILJM-UHFFFAOYSA-N 529.645 4.109 10 10 KICE COc1ccc(-n2c(C)cc(C(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3Cl)c2C)cc1 1874191666 ADFJQMBJERNFLU-UHFFFAOYSA-N 504.008 4.029 10 10 KICE CCc1nnc(NS(=O)(=O)c2ccc(NC=C3C(=O)N(c4ccc(OC)c(Cl)c4)N=C3C)cc2)s1 2297511599 VWHDODKSXKUAMK-UHFFFAOYSA-N 533.035 4.282 10 10 KICE CN(C)c1ccc([C@@H]2CC(c3ccc(Br)cc3)=NN2C(=O)CSc2nnc(N)s2)cc1 72413125 CTZDILADRWLBLC-SFHVURJKSA-N 517.478 4.419 10 10 KICE Cc1c(N2C(=O)/C(=C\c3c(NCCCOC(C)C)nc4ccccn4c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C 101011844 VTSOSRHPDZXQTN-OQKWZONESA-N 590.731 4.125 10 10 KICE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cc(Br)c(O)c(Br)c1 103857956 ISLUMNXBBKMKPB-WZUFQYTHSA-N 544.981 4.346 10 10 KICE Cc1ccccc1[C@@H]1N[C@](Cc2ccccc2)(C(=O)O)[C@H]2C(=O)N(Cc3ccc4c(c3)C(=O)c3ccccc3C4=O)C(=O)[C@@H]21 248109587 RTZHNODFDIPHCJ-IMKYSHHDSA-N 584.628 4.282 10 10 KICE CCCOc1cccc(C2=C(O)C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@@H]2c2ccc(N(C)C)cc2)c1 526312817 XOGDSVHHIDUKRR-RUZDIDTESA-N 507.612 4.246 10 10 KICE CCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(F)cc1)=C(N)O2 1864018633 PLFDSELEAJVFNS-XMMPIXPASA-N 532.547 4.194 10 10 KICE CCCCOCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2ccc(F)cc2)[C@H]1c1ccc(O)c(O)c1 1864019405 XZILPAGYZULCEE-XMMPIXPASA-N 538.620 4.062 10 10 KICE Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](C)C1)=C(N)O2 1865027463 YOHTYXVTWMRRRC-LFVRLGFBSA-N 526.996 4.397 10 10 KICE CN(C)c1ccc([C@@H](CNC(=O)c2cc(=O)c3cc(I)ccc3[nH]2)N2CCCCC2)cc1 1866528289 CNYPPSVTYSUHBL-HSZRJFAPSA-N 544.437 4.156 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)c3nc(CC(C)C)n4ccccc34)CC2)cc1 1868780695 SWGHYIXVGKFMFD-HHHXNRCGSA-N 539.680 4.231 10 10 KICE CCOCCCn1cc(OCc2cccc(OC)c2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870606071 FRBSRHYCGXTHHG-UHFFFAOYSA-N 521.658 4.193 10 10 KICE COc1ccc(CCN2C(=O)C(=Cc3c(N4CCCC4)nc4ccc(C)cn4c3=O)SC2=S)cc1 2314400998 UEIHXYYYZJGVAR-UHFFFAOYSA-N 506.653 4.056 10 10 KICE C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C3SC(N4C[C@@H](C)O[C@H](C)C4)=NC3=O)c2)C[C@H](C)O1 2314476617 RUSYVENEAPWPLL-LUKWVAJMSA-N 621.785 4.417 10 10 KICE O=C(COc1ccc([N+](=O)[O-])cc1C=C1SC(=S)N(Cc2ccco2)C1=O)Nc1nccs1 2314482804 WNNVDGWAQHXQTB-UHFFFAOYSA-N 502.555 4.063 10 10 KICE COc1cc(C=C2SC(=S)N([C@@H]3CC(=O)N(c4ccc(S(N)(=O)=O)cc4)C3=O)C2=O)ccc1OCc1ccc(Cl)cc1 2314833302 RRQDTKQTEKJXNT-OAQYLSRUSA-N 644.152 4.108 10 10 KICE CC[C@H](Oc1ccccc1C=C1SC(=S)N(NC(=O)c2ccccc2Br)C1=O)C(=O)O 2314931882 ITKIYYOKIVWVTE-HNNXBMFYSA-N 521.414 4.237 10 10 KICE C[C@H]1C[C@@H](C)CN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)C1 33452762 GFJQYIQPHDLSDS-LRHUTULQSA-N 514.673 4.023 10 10 KICE CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3C)C2=O)ccc1OCC(=O)N(CC)CC 40940699 ZGJNSKWUOJGVIK-PXLXIMEGSA-N 527.668 4.187 10 10 KICE C[C@H](O)CNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc3ccccc23)[C@H]1c1ccc(O)c(O)c1 1864015101 JNNIBZQEVZMZEL-HFJWLAOPSA-N 548.599 4.295 10 10 KICE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NCCc1ccccc1)[C@@H]2c1ccc(O)c(O)c1 1864017245 IRNWVWCPCNWMQH-XMMPIXPASA-N 526.593 4.043 10 10 KICE Cc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)O[C@H](C)C1)=C(N)O2 1865029694 TVARQLFWERAMOS-VDYXTEHCSA-N 526.593 4.076 10 10 KICE CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](C)C1)=C(N)O2 1865030379 ISFCEPCXMRUIHI-XDHUDOTRSA-N 520.605 4.387 10 10 KICE CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOc3ccccc31)=C(N)O2 1865035541 WHQUEMRSAOLJNG-VWLOTQADSA-N 542.567 4.164 10 10 KICE CCCC[C@H](NC(=O)c1nc(CC(C)C)n2ccccc12)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868779427 KFGHYSWCCSFHGZ-DEOSSOPVSA-N 505.663 4.179 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)c4ccc(F)c(F)c4F)n(-c4ccccc4)n3)CC2)cc1 1869970922 SXPVTCATXUSNOB-UHFFFAOYSA-N 508.504 4.272 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCCCc3ccccc3)C(=O)N(Cc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 1873170842 SYBZNFMAMNKLDC-UHFFFAOYSA-N 568.699 4.244 10 10 KICE CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@@H]1c1ccccc1Cl 2917742 ZWFIUYGMIWRXJG-XSZPGNIMSA-N 540.085 4.307 10 10 KICE CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(C(C)C)cc2)C(C(=O)OC)=C(C)N=3)cc1 33789095 HFRWSLLNRVDNLK-FCYPAOMHSA-N 503.668 4.378 10 10 KICE Cc1ccc2nc(NC3CC(C)(C)NC(C)(C)C3)c(/C=C3/SC(=S)N(C[C@H]4CCCO4)C3=O)c(=O)n2c1 96022163 GIFWCKIBRKXJAS-JLWFYQMASA-N 541.743 4.104 10 10 KICE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(N3CCC[C@H](C)C3)nc12 100886078 WPEYGQDHYLJLIQ-BFTVFPACSA-N 534.663 4.369 10 10 KICE CCOc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(N5CCOCC5)cc4)c3C)C(=O)NC2=S)cc1 104882034 SPBGMVZUNZESEA-ITYLOYPMSA-N 530.650 4.161 10 10 KICE CC1(C)OCC(C)(C(=O)OCC(C)(COC(=O)C2(C)COC(C)(C)OC2)C(=O)OCCCCCCN=[N+]=[N-])CO1 169722743 NZYULNUSGMCCDP-UHFFFAOYSA-N 571.668 4.071 10 10 KICE Cc1ccc(CCNC(=O)C2=C(N)Oc3c(c(C)nn3-c3ccc(C)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1 1864008367 IXYUNEYDGWKINI-SANMLTNESA-N 510.594 4.262 10 10 KICE CCCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@H]1c1ccc(O)c(O)c1 1864015460 RSHZALYCXVHNGD-GOSISDBHSA-N 502.493 4.303 10 10 KICE CCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(C)c1)=C(N)O2 1864017633 QOJVWVHFOJXVNL-VWLOTQADSA-N 526.593 4.174 10 10 KICE Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC1)=C(N)O2 1865025927 FLFHTQIEJCJJLN-OAQYLSRUSA-N 515.397 4.275 10 10 KICE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C(F)(F)F)nn4C)[C@H]3c3ccccc3Cl)CC2)cc1 1865164829 UOZVPFKZXPZPBS-LJQANCHMSA-N 547.965 4.144 10 10 KICE O=C(Cc1ccc(N2CCOCC2)cc1)N[C@@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1 1866904839 LAKXCUVBCYZBEM-WJOKGBTCSA-N 559.622 4.337 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)Cc3ccc4nc(O)c(C)cc4c3)CC2)cc1 1868808816 KFQHEQIXVVWFNE-GDLZYMKVSA-N 556.638 4.015 10 10 KICE CCc1nc(N2CCN(CCc3cccc(Cl)c3)CC2)cc(N2CCN(c3ccc(OC)cc3)CC2)n1 1869130782 SJNRWUFDHWKISZ-UHFFFAOYSA-N 521.109 4.392 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCCOc3ccccc3)C(=O)N(CCCn3ccnc3)C2=O)cc1 1873164682 NELOOADGBQFNNR-UHFFFAOYSA-N 509.610 4.129 10 10 KICE CCCCCN1C(=O)C(=Cc2c(N3CCC(C(=O)OCC)CC3)nc3c(C)cccn3c2=O)SC1=S 2297460438 OKHZHGHSZNWWHC-UHFFFAOYSA-N 528.700 4.174 10 10 KICE CCC[C@H](NC(=O)CNC(=O)c1ccc(C=C2SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1)C(=O)O 2297580257 PQORJUKFDNPKHW-SFHVURJKSA-N 565.595 4.211 10 10 KICE CCOC(=O)c1ccc(NC(=O)CN2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)cc1 15035997 KGFYEJOCKKUVJU-BOPFTXTBSA-N 505.415 4.466 10 10 KICE COc1cc2c(cc1O)[C@H](c1ccc(O)c(O)c1)[C@@H](C(=O)NCCc1ccc(O)cc1)C(C(=O)NCCc1ccc(O)cc1)=C2 85881459 KTJXNTJMKBMZKA-LQJZCPKCSA-N 610.663 4.086 10 10 KICE in-vitro CCCn1c(NCc2ccc(F)cc2)c(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)c(C)c(C#N)c1=O 143322912 UQNCHCPDFRUTJS-NDENLUEZSA-N 528.631 4.256 10 10 KICE CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)c(Br)c(Br)c1O 1084049815 NGMXHHUIQKEBHR-YFHOEESVSA-N 544.196 4.286 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)c3ccc(-n4cccc4)cc3)CC2)cc1 1862265099 DZIHSNRHDKKXIL-LJAQVGFWSA-N 508.622 4.176 10 10 KICE Cc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)c1ccccc1)=C(N)O2 1864011668 JUQUIQQDPFNVFU-IVCQMTBJSA-N 514.557 4.362 10 10 KICE CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(C)c1)=C(N)O2 1864019558 LYZOHYZLKMXEDR-RUZDIDTESA-N 510.594 4.474 10 10 KICE CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C)CC1)=C(N)O2 1865029955 ZEGPPTPZLBKPJL-XMMPIXPASA-N 502.615 4.248 10 10 KICE CCCc1nn(CCC)c2c1[C@@H](c1ccccc1OC)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865591180 SKGJHSPPYXLMBA-AREMUKBSSA-N 545.684 4.306 10 10 KICE COc1cc(OC)cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867394285 KWOAMAQXIVUKNC-IOWSJCHKSA-N 558.723 4.454 10 10 KICE CSCC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867925024 LXYUICBJKKXMGM-LOYHVIPDSA-N 631.799 4.337 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCN(C(=O)C5CC5)CC4)nc(-c4ccc(Cl)cc4)n3)CC2)cc1 1869254917 UEHIOYLJFFYLPY-UHFFFAOYSA-N 533.076 4.191 10 10 KICE CCc1ccc(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1874643343 XDJUYBCFLBLJAO-GDLZYMKVSA-N 510.638 4.429 10 10 KICE CCOc1cc(C=C2SC(=S)N(CCCC(=O)O)C2=O)ccc1OCC(=O)N(C(C)C)C(C)C 2053589722 VQARZRCUTLCILA-UHFFFAOYSA-N 508.662 4.176 10 10 KICE Cc1cc(C=C2C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)c(C)n1-c1cccc(C(=O)O)c1 2294094914 DMHFQOCCRLUAKB-UHFFFAOYSA-N 508.328 4.221 10 10 KICE Cc1ccc(OCCOc2ccc(C=C3C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2Cl)cc1C 2297346143 HBJMMDPTYZPOGL-UHFFFAOYSA-N 533.031 4.036 10 10 KICE CCOC(=O)COc1c(I)cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1OCC 2313560877 JXABUANXNJFVJK-UHFFFAOYSA-N 643.228 4.061 10 10 KICE CCN(CC)C(=O)COc1ccc(C=C2SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1OC 2314764573 GSJCSRPOCGZERD-UHFFFAOYSA-N 534.059 4.142 10 10 KICE Cc1ccc(CN(C)C(=O)[C@@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)c(O)c1Br 2352659772 BSTNTPICFFIBGO-HXUWFJFHSA-N 520.468 4.447 10 10 KICE CCn1c(N2C[C@H](C)C[C@@H](C)C2)c(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)c(C)c(C#N)c1=O 39989795 MMMRFLDPJPSXEQ-SJJRUYGKSA-N 530.716 4.377 10 10 KICE Cc1c(/C=C2/SC(=S)N(CCc3ccccc3)C2=O)c(N2CCN(c3ccccc3F)CC2)n(C)c(=O)c1C#N 105635055 QXSNMEUFTHMGDC-NLRVBDNBSA-N 573.719 4.475 10 10 KICE CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 1084569736 ZDDGSZXIFKDGIK-JMIUGGIZSA-N 577.977 4.460 10 10 KICE CCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)cc2)[C@@H]1c1ccc(O)c(O)c1 1864015828 WRVHPQCYSFLHED-INIZCTEOSA-N 508.884 4.177 10 10 KICE CCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCc1ccccc1)=C(N)O2 1864019131 GROIHDXVPYNONG-SANMLTNESA-N 524.621 4.349 10 10 KICE CCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CC)=C(N)O2 1865032854 MTWOWXXSADZKDX-FQEVSTJZSA-N 527.419 4.171 10 10 KICE CN(C)[C@H](C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1 1866705332 VARPTJFGBLLJHL-PXJZQJOASA-N 547.611 4.137 10 10 KICE CCCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCCCCCCO)ncnc21 1875214209 IYKXPQCCXKSHJZ-UHFFFAOYSA-N 508.667 4.167 10 10 KICE CCOc1cccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c1 2296546026 IDEBTTYCSLNENK-HXUWFJFHSA-N 525.677 4.326 10 10 KICE O=C(Cn1cc(C=C2C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c2ccccc21)Nc1ccc(Cl)cc1 2313556057 KQSKCQLXVUKWCN-UHFFFAOYSA-N 542.935 4.329 10 10 KICE COC(=O)[C@@H](c1ccccc1)N1C(=O)C(=Cc2ccc(OCC(=O)N3CCCCC3)c(OC)c2)SC1=S 2314766778 CAVQRGLFWXLNFB-XMMPIXPASA-N 540.663 4.202 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)C=Cc3ccc(C)cc3)CC2)cc1 2328562283 YBILPNXNJPZBBH-NDEPHWFRSA-N 501.602 4.232 10 10 KICE Cc1ccc(CN2C(=O)/C(=C\c3c(NCCCn4ccnc4)nc4c(C)cccn4c3=O)SC2=S)cc1 102834686 LNDNJQGFKLZTHE-PXLXIMEGSA-N 530.679 4.411 10 10 KICE COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)/C2=C(\C)Nc2ccc(S(N)(=O)=O)cc2)cc1 205969008 HDOUHPRAQIXAKW-PXLXIMEGSA-N 519.608 4.089 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)c(=O)n2[C@@H]1c1cccs1 252666430 BMCGBNOFRRQPQP-AREMUKBSSA-N 575.712 4.362 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)cc3OC)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 252670291 KCILNLBFPVUBFR-NDEPHWFRSA-N 579.719 4.060 10 10 KICE COC(=O)c1cc(C(=O)OC)cc(N2C(=O)C(O)=C(c3cccc(OC)c3)[C@H]2c2ccc(N(C)C)cc2)c1 526287637 UJRWGYQXGWNRMG-RUZDIDTESA-N 516.550 4.392 10 10 KICE CCCc1ccc(OCC(=O)N[C@@H](C(=O)N2CCN(c3ccc(OC)cc3)CC2)c2ccccc2)cc1 1862197370 OZCNALNSBNYYJP-GDLZYMKVSA-N 501.627 4.233 10 10 KICE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCOc1ccccc1)[C@@H]2c1ccc(O)c(O)c1 1864016635 UKGGFARHIJARGW-XMMPIXPASA-N 526.593 4.261 10 10 KICE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC(C)C)=C(N)O2 1864018690 QTRKBOXHRFCLQW-HSZRJFAPSA-N 541.048 4.184 10 10 KICE CCCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867356549 SACRHNVOMGASBS-FTJBHMTQSA-N 509.651 4.293 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCN(c5ccc(OC)cc5)CC4)nc(C(C)C)n3)CC2)cc1 1867951430 LAVLXNJWQCQFDG-UHFFFAOYSA-N 502.663 4.270 10 10 KICE Cc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CC(=O)N3CCc4c(F)cccc4[C@@H]3C2)n1 1868481592 WSHUFHNJSIVYBC-VWLOTQADSA-N 533.563 4.389 10 10 KICE CCC[C@H](NC(=O)[C@@H](C)c1ccc(Br)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868837157 BIDLGCOQARDITF-MBSDFSHPSA-N 502.453 4.195 10 10 KICE COc1ccccc1CN1C(=O)C(NCCCn2ccnc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873168326 RHYXNSCBPHXQQG-UHFFFAOYSA-N 509.610 4.259 10 10 KICE CCOC(=O)N1CCN(c2nc3c(C)cccn3c(=O)c2C=C2SC(=S)N(CCCc3ccccc3)C2=O)CC1 2296147330 ZBBVBZMCSDVFCZ-UHFFFAOYSA-N 577.732 4.115 10 10 KICE COc1ccccc1Oc1nc2ccccn2c(=O)c1C=C1SC(=S)N(CCCCCC(=O)O)C1=O 2314509563 WFUQBPUBODEMDP-UHFFFAOYSA-N 525.608 4.342 10 10 KICE CCOc1cc(C=C2SC(=S)N(CCCC(=O)OC)C2=O)cc(Br)c1OCC(=O)N(CC)CC 2314759655 FOUPGZWVXKJVJR-UHFFFAOYSA-N 573.531 4.249 10 10 KICE CCCCn1c(N2C[C@H](C)O[C@H](C)C2)c(/C=C2\SC(=S)N([C@@H](C)CC)C2=O)c(C)c(C#N)c1=O 39991374 QUBYDFNPIHCAHP-LFSVQBFBSA-N 502.706 4.442 10 10 KICE CCCCOCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2-c2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1864011616 WRUJUEDMTZZEMM-DEOSSOPVSA-N 520.630 4.254 10 10 KICE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccncc1)=C(N)O2 1864013038 OQRXMASXMODYKH-DEOSSOPVSA-N 546.027 4.355 10 10 KICE CCCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H]1CCCO1)=C(N)O2 1864013826 HAWAIHSDHZPZOB-FNZWTVRRSA-N 540.620 4.379 10 10 KICE CCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCC1)=C(N)O2 1864018230 GGQDXSSOHWGSTM-HSZRJFAPSA-N 506.578 4.188 10 10 KICE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1CCO)=C(N)O2 1865031084 YNGYINQNNYILDY-GJZUVCINSA-N 546.668 4.062 10 10 KICE Cc1ccc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867329768 PSYLJWLMIURUMP-KYJUHHDHSA-N 528.697 4.451 10 10 KICE CCCC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867689768 JNGKSXHBHKLVRR-KYJUHHDHSA-N 648.270 4.059 10 10 KICE CCC[C@@H](NC(=O)Cc1nc(-c2cccc(C)c2)oc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868636390 MJZTXHDLRLOSJJ-RUZDIDTESA-N 504.631 4.143 10 10 KICE CCc1ccccc1OCC(=O)Nc1nc(N2CCN(c3ccc(OC)cc3)CC2)nn1-c1ccc(C)cc1 1869969432 BYCAXPKGWPRHMR-UHFFFAOYSA-N 526.641 4.491 10 10 KICE Cc1ccc(NC(=O)CN2C(=O)/C(=C3/SC(=S)N(C[C@@H]4CCCO4)C3=O)c3ccccc32)cc1C 33380207 JFINEXHVERCSDU-CCWVLBSLSA-N 507.637 4.039 10 10 KICE COCc1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(SCc2ccc(C(=O)NC[C@@H]3CCCO3)cc2)n1 98015253 IPTOZJYMRROOKU-MHZLTWQESA-N 563.724 4.159 10 10 KICE CC(C)N1C(=O)/C(=C/c2cc(I)c(O)c(I)c2)SC1=S 100988860 MSRVZIVQWPHWHR-YHYXMXQVSA-N 531.178 4.211 10 10 KICE CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CN2C(=O)/C(=C\c3cccs3)SC2=S)cc1 205610900 BJLAMWMZUJLBEX-IOVUBPJKSA-N 501.699 4.223 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)cc3OC)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 254396648 YWDHQGBKWRWAML-LJAQVGFWSA-N 593.746 4.451 10 10 KICE CCCc1nc2ccc(C(=O)N[C@@H](C(=O)N3CCN(c4ccc(OC)cc4)CC3)c3ccccc3)cc2[nH]1 1862109580 YQTIGXISNOYAHM-MUUNZHRXSA-N 511.626 4.344 10 10 KICE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)NCCc2cccs2)[C@H]3c2ccc(O)c(O)c2)cc1 1864011320 GOZAZDWKWWFPOW-DEOSSOPVSA-N 516.623 4.074 10 10 KICE Cc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCc3ccccc3C1)=C(N)O2 1865026403 NBNWBUVNSLTAEX-AREMUKBSSA-N 526.568 4.070 10 10 KICE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)N1CCCC[C@H]1C)[C@H]2c1ccc(O)c(O)c1 1865034371 VDYJKBBXJJOBFX-HXOBKFHXSA-N 518.614 4.476 10 10 KICE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4Cc4ccc(F)cc4)[C@@H]3c3ccco3)CC2)cc1 1865305879 UMKHHSBMBYAGRY-SANMLTNESA-N 543.599 4.024 10 10 KICE Cc1ccc(CC(=O)N[C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1Br 1867229925 DJEQCRJGWTYVTQ-OAHLLOKOSA-N 505.368 4.219 10 10 KICE CCCC[C@@H](NC(=O)c1ccc(N(C)C)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867890703 OBCGHMPFCYOCLJ-VSGBNLITSA-N 507.723 4.451 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)c3cc(-c4ccc(C)c(C)c4)n(C)n3)CC2)cc1 1868754207 QMSNRKNSHBOKBB-SSEXGKCCSA-N 551.691 4.402 10 10 KICE CCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CC[C@@H](c3ccc4c(c3)OCO4)C2)n1 1869229882 WDRSKNPADOLHPW-JOCHJYFZSA-N 501.631 4.487 10 10 KICE O=C(NN1C(=O)C(=C2C(=O)N(Cc3ccccc3Cl)c3ccccc32)SC1=S)c1cccnc1 2297298173 ASPVOXNFJWREFL-UHFFFAOYSA-N 506.996 4.198 10 10 KICE COc1ccc(OCCCOc2ccc(/C=C3/C(=N)N4C(SC)=NSC4=NC3=O)cc2OC)cc1 20154791 ZVJFEWUFHMUQPU-LCQIMXFNSA-N 512.613 4.491 10 10 KICE CCOc1cc(/C=C2/SC(=S)N(CCCC(=O)OC)C2=O)cc(Br)c1OCC(=O)N1CCCCC1 101742347 IEFUSGGKUWMWSV-XMHGGMMESA-N 585.542 4.394 10 10 KICE CCCCn1c(N2CCN(C)CC2)c(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c(C)c(C#N)c1=O 110529078 XOKFRBQXILKMPR-MOHJPFBDSA-N 535.739 4.024 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)cc1 1862158090 VJDSPAHEFLEJQS-LHOVZLELSA-N 506.455 4.266 10 10 KICE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC(C)C)=C(N)O2 1864009617 CGIJNGVVUTYCLD-QFIPXVFZSA-N 527.021 4.125 10 10 KICE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NC1CCCC1)[C@@H]2c1ccc(O)c(O)c1 1864017190 HRHQZXHWXCCGMZ-JOCHJYFZSA-N 504.587 4.133 10 10 KICE CC[C@H](C)NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2F)[C@H]1c1ccc(O)c(O)c1 1864021757 GGDIXQUMQNLFMG-KPZWWZAWSA-N 520.483 4.110 10 10 KICE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)N1CCC[C@H](C)C1)[C@H]2c1ccc(O)c(O)c1 1865034176 QXSZINUKQFIMEM-SBUREZEXSA-N 518.614 4.333 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)CCC(=O)c4ccc(F)cc4)n(-c4ccccc4)n3)CC2)cc1 1869970738 ONTYUJIOWWGMRU-UHFFFAOYSA-N 528.588 4.343 10 10 KICE CCOc1ccc(NC(=O)c2cc3c(N4CCN(c5ccc(OC)cc5)CC4)ncnc3n2CC)cc1 1873650796 WDUVPCJOIRGMKG-UHFFFAOYSA-N 500.603 4.437 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)c3ccc(F)cc3F)CC2)cc1 1874643338 WZWAOLGTFZVKRL-MHZLTWQESA-N 518.564 4.145 10 10 KICE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1C 2296707828 PXOBGOCMECCKEY-FQEVSTJZSA-N 525.677 4.245 10 10 KICE Cc1ccc(COc2ccc(C=C3C(=N)N4N=C(CC(=O)N5CCOCC5)SC4=NC3=O)cc2Cl)cc1 2297064143 OWLUWOBUZXZRRZ-UHFFFAOYSA-N 538.029 4.095 10 10 KICE CCOc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)ccc1OC(=O)c1cccc(C)c1 2297345856 IWWYDSDMRCRORA-UHFFFAOYSA-N 540.623 4.013 10 10 KICE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CCc4ccccc4)C3=O)c(N3CCSCC3)nc12 33704138 FTMBBEKCECHWBH-CAPFRKAQSA-N 508.694 4.000 10 10 KICE CCCCN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3ccc(C(=O)OCC)cc3)c3ccccc32)SC1=S 33786714 YJWATTIYRQDTNN-QURGRASLSA-N 523.636 4.220 10 10 KICE COc1ccc(N2CCN([C@@H](CNC(=O)c3cc(OC)ccc3Br)c3ccco3)CC2)cc1 38606926 MLLQPMJFFIZUIC-QHCPKHFHSA-N 514.420 4.353 10 10 KICE Cc1ccc2nc(N3CCN(Cc4ccccc4)CC3)c(/C=C3/SC(=S)N(C4CCCC4)C3=O)c(=O)n2c1 100884372 JAVQTLDPNYGVMZ-JJIBRWJFSA-N 545.734 4.469 10 10 KICE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCCSc4ccc(C)cc4)c(OC)c3)C(=N)N21 104560475 BKIYZQXDUAKZOY-MRKXPFMVSA-N 544.680 4.186 10 10 KICE CCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1C)=C(N)O2 1865035012 JFUXUYRESZMPKV-HJPURHCSSA-N 506.578 4.140 10 10 KICE CCOC(=O)c1c(NC(=O)CN2C(=O)c3cccnc3C2=O)sc(C)c1-c1ccc(Br)cc1 1866236356 CXEUQKCQLNETQF-UHFFFAOYSA-N 528.384 4.292 10 10 KICE Cc1cccc(C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867819699 CYFZSRKVYLWBJA-LOYHVIPDSA-N 528.697 4.451 10 10 KICE CCN(CC)CCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCN(CC)CC)C1=O 1873167509 KRWMRDMERSWALX-UHFFFAOYSA-N 507.723 4.227 10 10 KICE CCOC(=O)COc1c(I)cc(C=C2SC(=O)N(C(C)C)C2=O)cc1I 2293987033 JYMHLJBWFFAHGW-UHFFFAOYSA-N 601.200 4.282 10 10 KICE CCOCCCN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3ccc(Cl)cc3)c3ccccc32)SC1=S 2509067 IGFPBEIVNFLOGB-QZQOTICOSA-N 516.044 4.323 10 10 KICE CCCC[C@@H](CC)CN1C(=O)/C(=C\c2c(N3CCC(C(N)=O)CC3)nc3ccc(C)cn3c2=O)SC1=S 100850329 GINIOHXNSHPBSR-ALDSOSFCSA-N 541.743 4.122 10 10 KICE CCCOc1ccc(C2=C(O)C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@H]2c2ccc(N(C)C)cc2)cc1 526311786 LQVJAKNINYNMPJ-VWLOTQADSA-N 507.612 4.246 10 10 KICE COCCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)cc2)[C@H]1c1ccc(O)c(O)c1 1864014670 ZZSBNKNBDNPCBW-HSZRJFAPSA-N 547.011 4.451 10 10 KICE COc1ccc(-c2nn(C)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)N[C@H](C)c2ccccc2)=C(N)O3)cc1 1864021659 FBBMAESQBSFWQY-MWTRTKDXSA-N 512.566 4.079 10 10 KICE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(-c5ccccc5)nn4C)[C@@H]3c3ccc(F)cc3)CC2)cc1 1865520205 MMMCMLINUZIMNW-VWLOTQADSA-N 539.611 4.278 10 10 KICE COc1cc(OC)cc(C(=O)N[C@@H](Cc2ccc(OC(C)=O)cc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867394268 KRMGXNPGRTZOQZ-JHOUSYSJSA-N 616.759 4.380 10 10 KICE Cc1cc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)ccc1[N+](=O)[O-] 1867871194 LHFWJMHWNXBDBQ-MFMCTBQISA-N 573.694 4.359 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)c3nn(-c4ccc(Cl)c(Cl)c4)c4c3CCC4)CC2)cc1 1868772050 DIJCPXRPBBXCSF-KRWDZBQOSA-N 542.467 4.144 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccccc3S(C)(=O)=O)C(=O)N(Cc3ccccn3)C2=O)cc1 1873419000 KUBBDCLWTQOWCV-UHFFFAOYSA-N 526.618 4.285 10 10 KICE COC(=O)c1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C3CCN(C)CC3)C2=O)c1 1873427768 ZXTYCWLENNYPMK-UHFFFAOYSA-N 512.610 4.167 10 10 KICE Cc1nc(NS(=O)(=O)c2ccccc2)sc1C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874017315 NYRWOTKWWNCOHY-UHFFFAOYSA-N 503.561 4.280 10 10 KICE Cc1ccc(C)c(OCCOc2ccc(C=C3C(=N)N4N=C(CC(=O)N5CCCC5)SC4=NC3=O)cc2)c1 2296594450 CVQWGNKJPDXRTA-UHFFFAOYSA-N 531.638 4.393 10 10 KICE COc1cc(C=C2C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)cc(Br)c1OCc1ccccc1 2297302810 LGADFVWORRVQSW-UHFFFAOYSA-N 556.438 4.490 10 10 KICE CCCC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1 2313681816 NXZXZEFAIHTQPI-UHFFFAOYSA-N 520.615 4.483 10 10 KICE COC(=O)c1ccc(C(=O)OC)c(NC(C)=C2C(=O)N(c3ccc(OC)cc3)N=C2c2ccc(OC)cc2)c1 2313683634 LTEUMMODEBVQJD-UHFFFAOYSA-N 529.549 4.414 10 10 KICE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C[C@@H]4CCCO4)C3=O)c(N(C)Cc3ccccc3)nc12 34721808 JNXQOWZUTKVTMJ-ORTNRGLGSA-N 506.653 4.020 10 10 KICE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC(C)C)=C(N)O2 1864009930 FWXSKPNXPMZNDW-FQEVSTJZSA-N 527.419 4.218 10 10 KICE CCCCOCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2cccc(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1864011859 MBWPUTFODRCPEQ-DEOSSOPVSA-N 541.048 4.322 10 10 KICE CC(C)OCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1864016585 STUUNYCYDUWOIS-VWLOTQADSA-N 540.620 4.245 10 10 KICE CCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1OC(C)(C)C)=C(N)O2 1864018602 OYHQHJDXLKEDEW-JOCHJYFZSA-N 506.603 4.065 10 10 KICE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC(C)C)=C(N)O2 1864019752 QDWGNCAQNNJGFG-RUZDIDTESA-N 534.657 4.148 10 10 KICE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4CC(C)C)[C@@H]3c3sccc3C)CC2)cc1 1865335941 IKRCPJKWOAQRJG-QHCPKHFHSA-N 521.687 4.269 10 10 KICE O=C(CCc1nc(O)c2ccccc2n1)N[C@H](Cc1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867263766 MSEITPVTJDEEDF-HHHXNRCGSA-N 570.605 4.410 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](C)c3ccccc3)CC2)cc1 1874643099 SCKWMIRMWXQQAY-KPURRNSFSA-N 510.638 4.356 10 10 KICE COc1cc(C=C2C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1OCCOc1ccc([N+](=O)[O-])cc1 2293176040 VXRKURLJHHSQDB-UHFFFAOYSA-N 517.494 4.036 10 10 KICE COc1ccc(CCN2C(=O)C(=Cc3c(NC[C@H](O)c4ccccc4)nc4ccccn4c3=O)SC2=S)cc1 2296546109 NTLYRHUEUUAPOV-QHCPKHFHSA-N 558.685 4.293 10 10 KICE COc1ccc(/C=C2\SC(=S)N(CCCC(=O)N(Cc3sccc3C)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 101266774 SORVLHCTOFBHOD-BWCLHNGZSA-N 564.776 4.262 10 10 KICE CCOC(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C\c3ccc(OC)c(OC)c3)SC2=S)cc1 210698130 HKYSYYXVXMQWDN-XSFVSMFZSA-N 500.598 4.111 10 10 KICE CCOC(=O)COc1c(Cl)cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1Br 1084229147 YINTWKLBAQNNIL-GHXNOFRVSA-N 541.782 4.015 10 10 KICE CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2cccs2)n2c(sc(=Cc3ccc(N(C)C)cc3)c2=O)=N1 1772723039 YIXAIFSYLRFIAT-RUZDIDTESA-N 514.676 4.310 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)/C=C/c3ccccc3Cl)CC2)cc1 1862146044 JSQXUSXWLQVRAW-GUWJCNJBSA-N 504.030 4.438 10 10 KICE CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)c1ccc(OC)cc1)=C(N)O2 1864014573 YOHUKTZRKWGDDU-SSOJOUAXSA-N 541.608 4.212 10 10 KICE CCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2Cl)[C@@H]1c1ccc(O)c(O)c1 1864015917 GNBKSXPXWKWOHI-QFIPXVFZSA-N 516.985 4.494 10 10 KICE Cc1ccc(CNC(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3-c3ccccn3)[C@@H]2c2ccc(O)c(O)c2)cc1 1864022516 NPXPAFWHZCRGFS-FQEVSTJZSA-N 537.498 4.017 10 10 KICE CC[C@@H](NC(=O)CCS(=O)(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866812959 LTOXTPOJNQDIDU-XMMPIXPASA-N 560.672 4.457 10 10 KICE O=C(CC[C@H]1CCS(=O)(=O)C1)N[C@H](CSCc1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866927188 MCHKFLCGFBVULE-HFZDXXHNSA-N 590.723 4.034 10 10 KICE CC(=O)Oc1cccc(C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867295518 WCDQHHLJCIIDJQ-FIRIVFDPSA-N 572.706 4.068 10 10 KICE CN(C)c1ccc([C@@H](CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2cccc(F)c2)N2CCCCC2)cc1 1867837412 AIANUVOVQFUTEK-URLMMPGGSA-N 532.660 4.282 10 10 KICE COC(=O)c1ccc(CN2C(=O)C(NCCCCN(C)C)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873167332 BKJPJWQONFXYPS-UHFFFAOYSA-N 528.653 4.092 10 10 KICE COCCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(Cc2ccccc2Cl)C1=O 2314414418 YKFMYTAJMLVDBR-UHFFFAOYSA-N 501.033 4.116 10 10 KICE Cc1ccc(CN(C(=O)CCN2C(=O)C(=Cc3ccc(Cl)cc3)SC2=S)[C@H]2CCS(=O)(=O)C2)o1 2314600161 MUIAFDYKXFNACK-SFHVURJKSA-N 539.100 4.049 10 10 KICE Cc1ccc(NC(=O)COc2ccc(Br)cc2C=C2SC(=S)N([C@H](C)C(=O)O)C2=O)cc1 2314842134 BAAUOHZRCIVMKP-CYBMUJFWSA-N 535.441 4.449 10 10 KICE CCCn1c(N2CCN(CC)CC2)c(/C=C2\SC(=S)N(C3CCCCC3)C2=O)c(C)c(C#N)c1=O 33812561 VCNYDFZTHSIPPS-JWGURIENSA-N 513.733 4.114 10 10 KICE COc1cccc(/C=C2/SC(=S)N(CCCC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c1 35625136 VPJBGWJRSWBVJK-LTGZKZEYSA-N 522.652 4.113 10 10 KICE CCOC(=O)c1ccc(NC(=O)CN2C(=O)/C(=C3/SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c3ccccc32)cc1 150639274 WDPJDCOOYWBJHB-BYCLXTJYSA-N 653.742 4.422 10 10 KICE CCOc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(N(C)C)cc4)NN(C(=O)c4cccc(Br)c4)[C@H]3C2=O)cc1 245343691 WNZSTZVIDAYJGH-DSNGMDLFSA-N 563.452 4.174 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(C)C)c(Br)c3)c(=O)n2[C@H]1c1ccccc1OCC 252672162 PJVGJTCTXLEGRP-DEOSSOPVSA-N 570.509 4.026 10 10 KICE CC1=C(C(=O)OCc2ccccc2)[C@@H](c2cccs2)n2c(sc(=Cc3ccc(N(C)C)cc3)c2=O)=N1 254896472 VRBCNUJAPLWPFZ-RUZDIDTESA-N 515.660 4.106 10 10 KICE Cc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(C(=O)O)cc1 1084587461 VODOPTMYCMVYMI-NDENLUEZSA-N 508.328 4.221 10 10 KICE CC[C@@H](NC(=O)c1ccc2[nH]c(-c3ccc(F)cc3)nc2c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862095448 GSMKYDGJMUKBAA-XMMPIXPASA-N 515.589 4.235 10 10 KICE CCN(CCc1ccncc1)C(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(Cl)cc2)[C@H]1c1ccc(O)c(O)c1 1865027316 GPZOZRHRCJJMBM-RUZDIDTESA-N 546.027 4.426 10 10 KICE C[C@@H](NC(=O)CCN(Cc1cccnc1)C(=O)OC(C)(C)C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867081307 UYJNBJSGZQTKLV-LJQANCHMSA-N 556.619 4.128 10 10 KICE CSCC[C@@H](NC(=O)c1ccc2cc[nH]c2c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867673345 TYBSBTXBVCDGDD-XNMGPUDCSA-N 521.731 4.429 10 10 KICE CCCc1nc(N2CCN(CCc3ccccc3OC)CC2)cc(N2CCN(c3ccc(OC)cc3)CC2)n1 1869215912 DSGDBVNDJOFXQT-UHFFFAOYSA-N 530.717 4.138 10 10 KICE COc1cccc(NC(=O)COc2cn(CCO)c(CNc3ccc(Nc4ccccc4)cc3)cc2=O)c1 1871100655 FMVQULONFRBKOW-UHFFFAOYSA-N 514.582 4.222 10 10 KICE CCCCNc1nc2ccc(C)cn2c(=O)c1C=C1SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O 2314413564 AVJWEUYMSGPURZ-UHFFFAOYSA-N 508.625 4.345 10 10 KICE COc1ccc(S(=O)(=O)N2C(=O)/C(=C3/SC(=S)N(Cc4ccccc4)C3=O)c3ccccc32)cc1 1249529 VNUHUXDGFYUIDD-QURGRASLSA-N 522.629 4.202 10 10 KICE CC(C)OCCCNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccc(F)cc2)C1=O 102863041 KAHDKLHFNRYPIR-XSFVSMFZSA-N 512.632 4.462 10 10 KICE CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br 103765819 SFEIRYWYNMILNK-JAYSWQADSA-N 614.562 4.424 10 10 KICE CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H]1CCCC[C@H]1C)=C(N)O2 1864018434 LAEKMTUSIXOKNT-WONHAXNMSA-N 520.605 4.434 10 10 KICE CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOc3ccccc31)=C(N)O2 1865028923 BGDSRRSFLPEQEB-VWLOTQADSA-N 524.577 4.356 10 10 KICE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(N3CCCCC3)CC1)=C(N)O2 1865030043 AXNLQABLOKGFNT-VWLOTQADSA-N 537.705 4.074 10 10 KICE CCN(CCO)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)cc2)[C@H]1c1ccc(O)c(O)c1 1865032154 WXFYDCHYJXDSTC-HSZRJFAPSA-N 547.011 4.139 10 10 KICE CCCc1nn(CC(C)C)c2c1[C@H](c1cccc(O)c1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865045523 LFALXCMIGCFNMY-SANMLTNESA-N 545.684 4.249 10 10 KICE COc1ccc(N2CCN(c3nc(=NCc4ccccc4C)[nH]c(=Nc4ccc(C)cc4C)[nH]3)CC2)cc1 1871602845 HTHJYWKPYNMTDB-UHFFFAOYSA-N 509.658 4.332 10 10 KICE COc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCc3cnc[nH]3)C2=O)cc1OC 1873425857 HZIGZKCMHKMNHB-UHFFFAOYSA-N 511.582 4.269 10 10 KICE COc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 2297347731 XNUUSVBAIWGAMX-UHFFFAOYSA-N 513.304 4.395 10 10 KICE CC(NCCCCN[C@@H](C)[C@@H]1N=C(c2ccc(Cl)cc2)OC1=O)=C1N=C(c2ccc(Cl)cc2)OC1=O 2297454746 IPFLJLUJCGYYEL-BTYIYWSLSA-N 529.424 4.248 10 10 KICE CCCC[C@H](CC)CN1C(=O)/C(=C\c2c(N3CCC(C(N)=O)CC3)nc3ccc(C)cn3c2=O)SC1=S 100850330 GINIOHXNSHPBSR-SXZORUHJSA-N 541.743 4.122 10 10 KICE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(CC(=O)OC)cc3)[C@H]2c2ccc(O)c(O)c2)cc1OC 526625047 YRWVVZPRICYEOW-SANMLTNESA-N 505.523 4.278 10 10 KICE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 1083960131 BCDJQVQGWDHBLB-MHWRWJLKSA-N 500.236 4.423 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3ccc(Br)cc3)c3ccccc3)CC2)cc1 1862042653 PZWJWKCTGPJFDA-XMMPIXPASA-N 508.416 4.278 10 10 KICE CCCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(OC)cc2)[C@H]1c1ccc(O)c(O)c1 1864015243 NDIZFVOGSJLTRN-LJQANCHMSA-N 532.519 4.312 10 10 KICE Cc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1C)=C(N)O2 1865027799 LJGOELTYELRGPM-JLCFBVMHSA-N 539.430 4.450 10 10 KICE CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@@H](C)C1)=C(N)O2 1865032456 CPGQKEGLQMFKIR-RHGYRFJNSA-N 502.615 4.353 10 10 KICE CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1ccccc1F 1865073210 DTGHVBOLEXYYAX-DEOSSOPVSA-N 519.621 4.047 10 10 KICE CCCc1nn(CC)c2c1[C@@H](c1ccc(OCC)cc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865279508 NHKJDIMJKXQFQM-AREMUKBSSA-N 545.684 4.306 10 10 KICE CC[C@@](C)(NC(=O)c1ccc([N+](=O)[O-])c(C)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867872426 BWHHAPTXQSVVQD-LBNVMWSVSA-N 509.651 4.211 10 10 KICE CCCC[C@@H](NC(=O)Cc1csc(COc2ccccc2)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868597443 YPAGIJAVFYHXQV-AREMUKBSSA-N 536.698 4.297 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](CSCc3ccccc3)NC(=O)c3cccc(N4CCCC4=O)c3)CC2)cc1 1868612375 KWSPMCJUMJILMC-GDLZYMKVSA-N 572.731 4.203 10 10 KICE Cc1ccc(N2C(=O)C(=Cc3cc(I)cc(I)c3O)C(=O)NC2=S)cc1C 2296648406 WQKQUTHERQMRDS-UHFFFAOYSA-N 604.207 4.050 10 10 KICE CCOc1cc(C=C2C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OC(=O)c1cccc(OC)c1 2297469072 PARVTHAMOSQODO-UHFFFAOYSA-N 527.562 4.376 10 10 KICE CCCOC(=O)CCCN1C(=O)C(=Cc2ccc(OCC(=O)N3CCCCC3)c(OC)c2)SC1=S 2314761265 RAMSOAYYUCQHBL-UHFFFAOYSA-N 520.673 4.021 10 10 KICE CCCOC(=O)[C@H](c1ccccc1)N1C(=O)C(=Cc2ccc(OCC(=O)N3CCOCC3)c(OCC)c2)SC1=S 2314769501 RHSIOCUWUOMDDH-SANMLTNESA-N 584.716 4.219 10 10 KICE Cc1c(/C=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c(N2CCN(c3ccccc3F)CC2)n(C)c(=O)c1C#N 150650731 YNFJLJAQYGNBNX-IMRQLAEWSA-N 655.781 4.235 10 10 KICE COC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC)c(COc4ccc(F)cc4F)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 252669867 IWEBKMGVDZWIMQ-GDLZYMKVSA-N 605.663 4.340 10 10 KICE CN(C)c1ccc2c(c1)Oc1cc(N(C)C)ccc1C21OC(=O)c2cc(C(=O)NCCOCCOCCOCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]34)ccc21 1857791919 BWYKRFATNNMLLL-ZMTYPIDZSA-N 831.005 4.008 10 10 KICE Cc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccccc1)=C(N)O2 1864008130 CUWUJVHTOQWONW-DEOSSOPVSA-N 516.985 4.299 10 10 KICE CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCC1=CCCCC1)=C(N)O2 1864013123 QLWYROJBTBGTPG-XMMPIXPASA-N 515.614 4.332 10 10 KICE Cc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1C)=C(N)O2 1865026594 QAVZSJPPMZCFIQ-NPMXOYFQSA-N 509.006 4.400 10 10 KICE CC(=O)Nc1c(Br)cc(C(=O)N[C@H](c2ccc(N(C)C)cc2)c2nccn2C)cc1Br 1866063861 LKXAERALRBBWMK-LJQANCHMSA-N 549.267 4.489 10 10 KICE O=C(CS(=O)(=O)c1cccc(Cl)c1)N[C@H](Cc1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866885910 TWGUYPQOXPUKIP-AREMUKBSSA-N 587.053 4.255 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)CCC(=O)c3ccc(C)cc3C)CC2)cc1 1868931982 WEFIEKQFHHRYRU-LJAQVGFWSA-N 543.664 4.057 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)c3cc(C)n(-c4ccccc4F)n3)CC2)cc1 1868987661 GITQOUDHVMDNAO-MUUNZHRXSA-N 559.617 4.157 10 10 KICE COCCCN1[C@@H](C)CN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(-c3cccc(OC)c3)n2)C[C@@H]1C 1869312650 WHECJCCXISWGOI-DQEYMECFSA-N 560.743 4.423 10 10 KICE COc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C[C@@H]3CCCO3)C2=O)cc1OC 1873420489 ZVKOBQKUGNVQMX-QHCPKHFHSA-N 501.583 4.482 10 10 KICE CCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCCCCN3CCCC3)ncnc21 1875206112 LMPHXYSYNPEDSN-UHFFFAOYSA-N 519.694 4.100 10 10 KICE CC[C@@H](C)c1ccccc1OCCOc1ccc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc1 2297345154 XFYJHDQYOWKWID-MRXNPFEDSA-N 526.640 4.279 10 10 KICE COc1ccc(OCCOc2c(Br)cc(C=C3C(=N)N4OC(C)=CC4=NC3=O)cc2OC)cc1 2297347495 AZNCMOUDAXIENR-UHFFFAOYSA-N 528.359 4.374 10 10 KICE O=C(O)CC[C@H](C(=O)O)N1C(=O)C(=Cc2cc(Br)ccc2OCC(=O)Nc2ccc(F)cc2)SC1=S 2314842387 SZZFSDMXIRMSKX-MRXNPFEDSA-N 597.440 4.125 10 10 KICE CCOCCCN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3ccc(OCC)cc3)c3ccccc32)SC1=S 39983383 TUOYBUOWSUERSZ-GHVJWSGMSA-N 525.652 4.069 10 10 KICE COc1ccc(CCN2C(=O)/C(=C\c3c(N4CCN(c5ccc(OC)cc5)CC4)nc4ccccn4c3=O)SC2=S)cc1 102846096 YEXNBQQOIDPQLY-SZXQPVLSSA-N 613.765 4.482 10 10 KICE CCOc1ccc(NS(=O)(=O)c2ccc(N/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)cc2)cc1 103247701 ZSZNEHBDSBAXJL-PXLXIMEGSA-N 540.985 4.118 10 10 KICE CCc1nn(C)c2c1[C@@H](c1ccc(C(C)(C)C)cc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865128250 YPYOLIKXQBLACP-RUZDIDTESA-N 529.685 4.332 10 10 KICE Cc1ccc([C@@H](CC(=O)N[C@@H](CO)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C2CC2)cc1C 1866723867 KPLXKBXTVVAEMX-AHWVRZQESA-N 510.590 4.078 10 10 KICE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@@H](NC(=O)C3CCN(C(=O)C(F)(F)F)CC3)c3ccccc3)cccc21 1867289686 GCOGEEHJCSXCOD-DEOSSOPVSA-N 563.532 4.059 10 10 KICE CN(C)c1ccc([C@@H](CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2ccccc2F)N2CCCCC2)cc1 1867851047 MAHFGWTXWCYENK-URLMMPGGSA-N 532.660 4.282 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)CCc3csc(-c4ccccn4)n3)CC2)cc1 1868900706 AWHRTAHLATUSPP-NDEPHWFRSA-N 573.694 4.362 10 10 KICE CCOC(=O)N1CCC(N2C(=O)C(NC3CCCC3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)CC1 1873165487 LDMFIEMGXOCSMF-UHFFFAOYSA-N 504.631 4.327 10 10 KICE CCCCOC(=O)c1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCNC(C)=O)C2=O)c1 1873422281 OOXAFSBZKIQQRT-UHFFFAOYSA-N 542.636 4.379 10 10 KICE COc1c(C=C2C(=O)NC(=O)N(c3ccc(I)cc3)C2=O)c(CCN(C)C(=O)c2ccccc2)cc2c1OCO2 2296116194 VJWAXWHIWJUVMB-UHFFFAOYSA-N 653.429 4.010 10 10 KICE CC[C@H](C)N1C(=O)C(=Cc2c(N3CCN(Cc4ccccc4)CC3)nc3ccccn3c2=O)SC1=S 2296696699 PNIMWKQAUDHYEW-IBGZPJMESA-N 519.696 4.016 10 10 KICE COc1ccc(CCN2C(=O)C(=C3C(=O)N(CC(=O)NCCc4ccccc4)c4ccccc43)SC2=S)cc1OC 2296713567 KOZJGVVZCIAOEU-UHFFFAOYSA-N 587.723 4.223 10 10 KICE COc1ccc(CCN2C(=O)C(=Cc3c(N4CCCC4)nc4c(C)cccn4c3=O)SC2=S)cc1 2296724094 LFZLKBXMUPNPGW-UHFFFAOYSA-N 506.653 4.056 10 10 KICE CN(C)c1ccc([C@@H]2CC(c3ccc(Br)cc3)=NN2C(=O)CN2C(=O)C(=O)c3ccccc32)cc1 100901457 RIWUGRYGEVOHIZ-DEOSSOPVSA-N 531.410 4.422 10 10 KICE CCCCn1c(N2C[C@H](C)O[C@H](C)C2)c(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)c(C)c(C#N)c1=O 110532065 RMKFVPFXWNUAIX-LODLPNETSA-N 560.742 4.288 10 10 KICE CCN1C(=O)/C(=C\c2cn(CCOc3ccccc3C)c3ccc(Br)cc23)C(=O)NC1=S 1084242479 CBOKBOQSQPASEZ-UNOMPAQXSA-N 512.429 4.438 10 10 KICE CSCC[C@@H](NC(=O)CCS(=O)(=O)c1cccc(Cl)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866887578 RLQOEPOTDPPWTK-HSZRJFAPSA-N 585.103 4.156 10 10 KICE O=C(C[C@H]1CCCCO1)N[C@H](Cc1ccc(F)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867244003 LZYHUESFRXFWCF-CJFMBICVSA-N 514.553 4.226 10 10 KICE CN(C)c1ccc([C@H](CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2ccccc2F)N2CCCCC2)cc1 1867851048 MAHFGWTXWCYENK-VMPREFPWSA-N 532.660 4.282 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)CCCc3ccc(OC)c(OC)c3)CC2)cc1 1868716715 NXWMKXRUXKDSQH-MUUNZHRXSA-N 563.670 4.251 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(OC(C)=O)cc3)NC(=O)C[C@H](C)c3cccc(OC)c3)CC2)cc1 1868941276 JPMGGYLFAMQUGY-GTYOFVGBSA-N 573.690 4.199 10 10 KICE COc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C[C@H]3CCCO3)C2=O)cc1[N+](=O)[O-] 1873419070 NQJUYGYTMXUPGN-JOCHJYFZSA-N 516.554 4.382 10 10 KICE Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C=CC(=O)OCC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C 2042434625 KMTGCBSLNBLQCV-HXUWFJFHSA-N 534.009 4.190 10 10 KICE Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOCCOCCCCCCN=[N+]=[N-])C(C)(C)C)cc1 2080389359 AZGJMFKKWCUJTE-WYMKREKISA-N 834.050 4.198 10 10 KICE CCOC(=O)CN1C(=O)C(=C2SC(=S)N(c3ccc(Br)cc3)C2=O)c2ccccc21 2296740103 DACLKDMKNDTPJF-UHFFFAOYSA-N 503.399 4.135 10 10 KICE COc1cc(/C=C2/C(=O)N(c3cccc(C(F)(F)F)c3)N=C2C)cc(Br)c1OCC(N)=O 33333987 CHJIPEQGSPNEFJ-GIDUJCDVSA-N 512.282 4.147 10 10 KICE CCOc1cc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)cc(Br)c1OCC(=O)N(CC)CC 101741933 MEWFKNVTCCYMCC-SFQUDFHCSA-N 559.504 4.161 10 10 KICE C[C@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3/SC(=S)N(CCS(=O)(=O)O)C3=O)c2)C1 150658289 CUEYZYDKVHIIID-JWGRYVKWSA-N 632.811 4.049 10 10 KICE CCCOc1c(I)cc(I)cc1/C=C1\C(=O)NC(=O)N(c2ccc(OC)cc2)C1=O 1083946898 RLFSNCHACPYBGS-MHWRWJLKSA-N 632.192 4.360 10 10 KICE Cc1c(Br)ccc(N2C(=O)NC(=O)/C(=C\c3cc4c(cc3Br)OCO4)C2=O)c1C 1084558648 GYAQLDMPNADHBC-LFYBBSHMSA-N 522.149 4.224 10 10 KICE COCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)cc2)[C@H]1c1ccc(O)c(O)c1 1864013978 KIBMZWVUMOVIET-JOCHJYFZSA-N 532.984 4.061 10 10 KICE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N(C)Cc1ccccc1)[C@@H]2c1ccc(O)c(O)c1 1865034254 SCHVTEZVBICFEQ-GOSISDBHSA-N 502.493 4.076 10 10 KICE CCCC[C@H](NC(=O)c1cc(OC)cc(OC)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867390311 BLYAHBBHZXSRMK-NSOVKSMOSA-N 524.706 4.402 10 10 KICE CC[C@@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867785383 QKRSGJOYPDKODY-LEAFIULHSA-N 550.704 4.113 10 10 KICE CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)Nc3cccc(OC(C)C)c3)cc1C2=O 1873927961 CMCKQVQJULMKRL-UHFFFAOYSA-N 501.491 4.352 10 10 KICE O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 2294235323 ALGMYQCLSIXBDQ-UHFFFAOYSA-N 525.340 4.376 10 10 KICE CC[C@@H](C)N1C(=O)C(=Cc2c(N3CCN(c4ccccc4F)CC3)nc3c(C)cccn3c2=O)SC1=S 2296175670 CXBGFYPFOZDDLG-GOSISDBHSA-N 537.686 4.468 10 10 KICE CCCCCCN1C(=O)NC(=O)C(=Cc2c(CCN(C)C(=S)NCc3ccccc3)cc3c(c2OC)OCO3)C1=O 2296923456 GYJDDDZDXRZZHL-UHFFFAOYSA-N 580.707 4.015 10 10 KICE C[C@@H]1CCCN(C2=NC(=O)/C(=C\c3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N4CCOCC4)c3)S2)C1 110556655 MSAZPIHYDCJUQY-MSPRMREJSA-N 577.732 4.262 10 10 KICE O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@]2(CCCCc3ccccc3OCCN(Cc3ccccc3)C2=O)C1 643555823 CXDYVCZBRXNZCA-UUWRZZSWSA-N 580.685 4.211 10 10 KICE Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(CCNC(=O)/C=C/c3ccc(Cl)cc3Cl)cc2)cc1 1859007678 LNASFCVGQJHZGF-UUILKARUSA-N 534.421 4.425 10 10 KICE Cc1cccc(CNC(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3CC(C)C)[C@H]2c2ccc(O)c(O)c2)c1 1864023476 ZIYYMCIBOZJAMF-LJQANCHMSA-N 516.520 4.289 10 10 KICE CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(C)nn2-c2cccc3ccccc23)[C@H]1c1ccc(O)c(O)c1 1865029474 OEPNREGUDDBUEQ-AREMUKBSSA-N 528.609 4.061 10 10 KICE COC(=O)c1c(NC(=O)c2c[nH]c3ccc(N4CCN(C)CC4)cc3c2=O)sc(C)c1-c1ccccc1 1866443170 ZARKPNFHNZIBPJ-UHFFFAOYSA-N 516.623 4.356 10 10 KICE O=C(CCc1ccc2nc(O)c(-c3ccccc3)cc2c1)N[C@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866930314 BGKDBVBOULLRLS-GDLZYMKVSA-N 585.616 4.431 10 10 KICE CCCC[C@H](NC(=O)Cc1nc(-c2ccc(OC)cc2)oc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868656967 GKWMQGBUDBUTQT-SANMLTNESA-N 534.657 4.234 10 10 KICE CCN(CC)CCn1cc(OCc2n[nH]c(=N)s2)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1871027116 MEGNKPUJTPPNES-UHFFFAOYSA-N 519.675 4.389 10 10 KICE COc1ccc(CCN2C(=O)C(=Cc3c(NCCCOC(C)C)nc4ccccn4c3=O)SC2=S)cc1 2296731197 CRLZMBYPOOKUIO-UHFFFAOYSA-N 538.695 4.374 10 10 KICE COCCN1C(=O)C(=Cc2c(Oc3ccc(Br)cc3)nc3ccccn3c2=O)SC1=S 2296848676 SOBGKUSMLSWKGC-UHFFFAOYSA-N 518.414 4.097 10 10 KICE CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C2=O)cc1 2297624400 ZRMAJQOGBZLSOC-UHFFFAOYSA-N 517.494 4.248 10 10 KICE CCOCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2NCc2ccc(F)cc2)SC1=S 40066510 MKJGZUNYKWLAQT-BKUYFWCQSA-N 514.648 4.427 10 10 KICE CS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCc4ccccc4Cl)c(Cl)c3)C(=N)N21 96460056 WPMNSCXQMYXAOW-QNHLIMGLSA-N 509.396 4.194 10 10 KICE Cc1ccc2nc(N3CCN(c4ccccc4F)CC3)c(/C=C3/SC(=S)N(CCCCCC(=O)O)C3=O)c(=O)n2c1 100860409 KZMBEXSFMBUVTH-HAVVHWLPSA-N 595.722 4.315 10 10 KICE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCCCN1CCCC1)[C@H]2c1ccc(O)c(O)c1 1864015902 GEYSJCJDCFBMTK-DEOSSOPVSA-N 531.657 4.058 10 10 KICE CCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)Cc1ccccc1)=C(N)O2 1865032850 MRMDBWUZSNXHTO-RUZDIDTESA-N 510.594 4.258 10 10 KICE CCCN(CCC)C(=O)C1=C(N)Oc2c(c(CC)nn2Cc2ccccc2F)[C@H]1c1ccc(O)c(O)c1 1865035616 XNYNARWYSYIBSU-HSZRJFAPSA-N 508.594 4.387 10 10 KICE CCc1sc(NC(=O)CN2C(=O)c3cccnc3C2=O)c(C(=O)OC)c1-c1ccc(Br)cc1 1866237150 VKPXOUAODWHFCB-UHFFFAOYSA-N 528.384 4.156 10 10 KICE CC[C@@](C)(NC(=O)[C@@H]1CCCN1Cc1ccccc1F)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866920706 UGZMCPPZLQAITE-VVFBEHOQSA-N 527.596 4.489 10 10 KICE CCC[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867815882 KMDRWFBFLFPDCN-AHWVRZQESA-N 554.648 4.119 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCN(c5ccccc5NC(C)=O)CC4)nc(C(C)C)n3)CC2)cc1 1869097078 BSEGRWMQQZTEFL-UHFFFAOYSA-N 529.689 4.220 10 10 KICE CCCOc1ccc(Nc2nc(=NCc3ccco3)nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]2)cc1 1871725860 SBDFCKRADVIMFL-UHFFFAOYSA-N 515.618 4.366 10 10 KICE COc1cc(Cl)c(C)cc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCNC(C)=O)C1=O 1873422044 CKYMLOSLDSIBNV-UHFFFAOYSA-N 521.017 4.393 10 10 KICE COc1ccc(-n2c(C)cc(C=C3C(=N)N4N=C(CC(=O)N5CCCC5)SC4=NC3=O)c2C)cc1Cl 2296056337 BPKWCQCBBVQXLB-UHFFFAOYSA-N 525.034 4.388 10 10 KICE CCN1C(=O)/C(=C2\SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)c2cc(Br)ccc21 40940529 XYEPCWHBIXBCQI-MSUUIHNZSA-N 502.415 4.040 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 254734752 MERAPMXUISVEKJ-MHZLTWQESA-N 572.643 4.341 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 1084146431 FQDIYUWVDANUMW-MUUNZHRXSA-N 629.651 4.473 10 10 KICE CCOC(=O)c1c(NC(=O)C(=O)N[C@@H](C(=O)O)[C@@H](C)CC)sc(C)c1-c1ccc(Br)cc1 1860758253 IGSZTHDLDDPCKG-APPDUMDISA-N 525.421 4.217 10 10 KICE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccnc1)=C(N)O2 1864011352 SMQWVGPLVUSRND-HSZRJFAPSA-N 532.000 4.295 10 10 KICE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCc1ccc(F)cc1)[C@@H]2c1ccc(O)c(O)c1 1864015688 CXJHCBNRJCKZBP-HSZRJFAPSA-N 514.557 4.174 10 10 KICE COc1ccc(-c2nn(C)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)N[C@@H](C)c2ccccc2)=C(N)O3)cc1 1864021658 FBBMAESQBSFWQY-HJPURHCSSA-N 512.566 4.079 10 10 KICE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C)CC1)=C(N)O2 1865029503 OTWROFRYGOXKKK-XMMPIXPASA-N 518.614 4.198 10 10 KICE CC[C@@](C)(NC(=O)c1cc(OC)c(OC)c(OC)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867342470 GIIWRXAODBLSCU-QABMSTFYSA-N 540.705 4.020 10 10 KICE CCOC(=O)Cc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCOC)C2=O)cc1 1873419907 FALUQUUIWUWDFJ-UHFFFAOYSA-N 501.583 4.038 10 10 KICE CN(CCCN=[N+]=[N-])C(=O)c1cc(I)cc(I)c1I 1912164701 XYLLJSARCINZGV-UHFFFAOYSA-N 595.948 4.273 10 10 KICE O=C1NC(=O)N(c2ccccc2)C(=O)C1=Cc1ccc(OCc2ccc(C(=O)O)cc2)c(Br)c1 2293449693 BYWDLXQQOBKMBK-UHFFFAOYSA-N 521.323 4.393 10 10 KICE CCCOc1c(I)cc(C=C2C(=O)NC(=O)N(c3ccc(OCC)cc3)C2=O)cc1OC 2313518737 QJOYPAIFFMKKBH-UHFFFAOYSA-N 550.349 4.154 10 10 KICE CCOc1c(Br)cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1I 2313559176 SMYNCUZZQXEDRL-UHFFFAOYSA-N 575.197 4.423 10 10 KICE N=C1/C(=C\c2ccc(OCCCOc3ccccc3)cc2)C(=O)N=C2SC(CC(=O)N3CCCC3)=NN12 103238890 HQPDQARVNUJUGR-VCLADSRUSA-N 517.611 4.166 10 10 KICE CCn1c(N2CCN(Cc3ccccc3)CC2)c(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c(C)c(C#N)c1=O 110521654 XNJRPHDFNSUOJY-XYGWBWBKSA-N 559.717 4.365 10 10 KICE COc1ccc(CCNC(=O)C2=C(N)Oc3c(c(C)nn3Cc3ccc(C)cc3)[C@H]2c2ccc(O)c(O)c2)cc1 1864008696 QACDYAZMPLKCAR-HHHXNRCGSA-N 540.620 4.022 10 10 KICE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CC1)=C(N)O2 1864012714 HKYFJWKDBMOFLA-NRFANRHFSA-N 512.969 4.061 10 10 KICE C[C@H]1CN(C(=O)C2=C(N)Oc3c(c(-c4ccccc4)nn3-c3ccccc3)[C@@H]2c2ccc(O)c(O)c2)C[C@@H](C)O1 1865030814 RPMCDZKWUDUCTQ-CEYNDMKZSA-N 538.604 4.281 10 10 KICE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](C)C1)=C(N)O2 1865033085 RMHVQIGPYKZHQS-BVZFJXPGSA-N 516.642 4.475 10 10 KICE CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCc3ccccc3C1)=C(N)O2 1865035381 RZWJNTMNRTYKMP-SANMLTNESA-N 540.595 4.324 10 10 KICE CN(C)c1ccc([C@@H](CNC(=O)[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)N2CCCCC2)cc1 1867356786 USMIPLHNJIHBMJ-IZLXSDGUSA-N 529.641 4.475 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)Cc3nc(-c4ccc(Cl)cc4)oc3C)C(C)C)CC2)cc1 1868651823 UHFUKTPGHUHXQL-AREMUKBSSA-N 525.049 4.344 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)CCc3csc(-c4ccncc4)n3)c3ccccc3)CC2)cc1 1868909706 ORPGPDFBLXCZFU-NDEPHWFRSA-N 541.677 4.353 10 10 KICE CC1CCN(C(=O)COc2cn(C[C@@H](C)O)c(CNc3ccc(Nc4ccccc4)cc3)cc2=O)CC1 1870929271 OJMFBPWHAGWOBH-JOCHJYFZSA-N 504.631 4.222 10 10 KICE CCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCc3ccc(OC)c(OC)c3)ncnc21 1875206798 GTYSLTDJCXEYGD-UHFFFAOYSA-N 544.656 4.442 10 10 KICE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C3SC(N4CCC(C(N)=O)CC4)=NC3=O)c2)C1 2314477007 ZQUSOGAKBSXZNZ-FGZHOGPDSA-N 632.812 4.374 10 10 KICE O=C(CCCN1C(=O)/C(=C/c2ccccc2OC(F)F)SC1=S)Nc1ccc(O)cc1C(=O)O 16922728 XKWFJBYNVALISP-YVLHZVERSA-N 508.524 4.312 10 10 KICE COc1ccc(N2CCN(C(=O)c3ccc(S(=O)(=O)c4ccccc4Cl)c([N+](=O)[O-])c3)CC2)cc1 20664139 OTUCFFDVPOMODK-UHFFFAOYSA-N 515.975 4.052 10 10 KICE CC[C@@H](C)N1C(=O)/C(=C\c2c(N3CCN(c4ccccc4F)CC3)nc3c(C)cccn3c2=O)SC1=S 100880676 CXBGFYPFOZDDLG-IPEVAPCJSA-N 537.686 4.468 10 10 KICE Cc1c(N2C(=O)/C(=C\c3c(N4C[C@H](C)C[C@@H](C)C4)nc4ccccn4c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C 100885942 PHSRBAIZOJWDLY-QROATSPYSA-N 586.743 4.380 10 10 KICE NC(=O)C1CCN(C2=NC(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N4CCCCCC4)c3)S2)CC1 101014410 OYWKKSZHXFPPIS-OOAXWGSJSA-N 618.785 4.272 10 10 KICE COc1cc(OC)c(CN2C(=O)c3ccccc3C2=O)cc1/C=C1\C(=O)N(Cc2ccccc2)C(=O)N=C1O 103129676 YCTUEAJBEPAVGM-XKZIYDEJSA-N 525.517 4.002 10 10 KICE O=C1[C@H]2[C@H](C(=O)N1c1ccccc1[N+](=O)[O-])C1(O[C@H]2c2ccc(Br)cc2)C(=O)c2ccccc2C1=O 105487192 ZDAIVGQOPILOPN-HBMCJLEFSA-N 547.317 4.052 10 10 KICE COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(\C)Nc2ccc(Cn3cnnc3)cc2)cc1 205965636 YPNKLZKDVZIPMS-XIEYBQDHSA-N 509.526 4.380 10 10 KICE COc1cc(OC)cc(C(=O)Nc2cc(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)ccn2)c1 1860505269 QNRDTUQXCLUKOH-UHFFFAOYSA-N 507.502 4.379 10 10 KICE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)N2C[C@@H](C)C[C@@H](C)C2)[C@H]3c2ccc(O)c(O)c2)cc1 1865028136 QFASXBPSAIAIIO-ATLLOTDBSA-N 502.615 4.159 10 10 KICE CC[C@@H](C(=O)N[C@H](CCSC)C(=O)N1CCN(c2ccc(OC)cc2)CC1)c1ccc(Cl)cc1 1868834232 ADXCNJJRBUNOKB-DNQXCXABSA-N 504.096 4.429 10 10 KICE CC[C@@H](NC(=O)[C@@H](c1ccc(Br)cc1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868854849 MNSVFXWBIKYWSG-DNQXCXABSA-N 516.480 4.441 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)CCOc4ccccc4)n(-c4ccc(C)cc4)n3)CC2)cc1 1869969443 CHDGPVDONXLFIM-UHFFFAOYSA-N 512.614 4.319 10 10 KICE COc1ccccc1-n1cnc2cc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)ccc2c1=O 1874017915 YEPRZBXAWBKVSR-UHFFFAOYSA-N 501.498 4.422 10 10 KICE COc1ccc(N2CCN([C@H](c3cccs3)[C@H](C)NC(=O)Cc3ccc(OC)c(OC)c3)CC2)cc1 20289505 AEUJOHISSHASTJ-MMTVBGGISA-N 509.672 4.385 10 10 KICE CN1C(=O)C(=Cc2ccc(Sc3nc4ccc(N5C(=O)[C@H]6[C@H]7C=C[C@H](C7)[C@H]6C5=O)cc4s3)c([N+](=O)[O-])c2)C(=O)N(C)C1=O 103806146 ZAUVWUILAHZWOB-LMSYSOMVSA-N 615.649 4.101 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 254870702 DJZIJRVYZZFKCH-AREMUKBSSA-N 558.616 4.033 10 10 KICE CCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2Cc2c(F)cccc2Cl)[C@@H]1c1ccc(O)c(O)c1 1864012710 HFKRHIFZDXLALQ-NRFANRHFSA-N 514.985 4.308 10 10 KICE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccn1)=C(N)O2 1864013671 YRAJGSRVLVAQNO-SANMLTNESA-N 539.636 4.318 10 10 KICE C[C@H]1CCCCN1C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@H]1c1ccc(O)c(O)c1 1865032157 WYQKXNSCMVIDHK-IFXJQAMLSA-N 514.504 4.398 10 10 KICE CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOc3ccccc31)=C(N)O2 1865034961 IGELLMRVUAFYGA-VWLOTQADSA-N 542.567 4.164 10 10 KICE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4CC(C)C)[C@@H]3c3ccccc3C)CC2)cc1 1865653045 XHNFPXXGYGVCMK-SANMLTNESA-N 515.658 4.208 10 10 KICE CN(C)c1ccc([C@H](CNC(=O)c2ccc3c(c2)C(=O)N([C@H](Cc2ccccc2)C(=O)O)C3=O)N2CCCCC2)cc1 1868025475 QJNSZJXFFHTYLC-WDYNHAJCSA-N 568.674 4.002 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)Cc3nc(-c4ccccc4C)oc3C)CC2)cc1 1868630517 QDZTZJNODFGQGV-VWLOTQADSA-N 536.698 4.096 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCC(c5ncncn5)CC4)nc(-c4ccccc4)n3)CC2)cc1 1869205840 AVNPCVDJOKBEOI-UHFFFAOYSA-N 508.630 4.048 10 10 KICE CCCOc1cn(C[C@H](O)c2ccc(Cl)cc2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870657118 HCXYJRHHQDDJKR-MHZLTWQESA-N 512.050 4.355 10 10 KICE COc1ccc(N2CCN(c3nc(=NCc4ccccc4)nc(Nc4ccc(N(C)C)cc4)[nH]3)CC2)cc1 1871695562 SLEDYCZZNFUOOJ-UHFFFAOYSA-N 510.646 4.050 10 10 KICE [N-]=[N+]=NC[C@H]1CCN(C(=O)c2cc(I)cc(I)c2I)C1 1912192866 AHFCONNHHQNPOX-SSDOTTSWSA-N 607.959 4.273 10 10 KICE Nc1c(/N=N/c2ccc(S(=O)(=O)CCOS(=O)(=O)O)cc2)c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(/N=N/c3cc(N=c4[nH]c(F)nc(F)c4Cl)ccc3S(=O)(=O)O)c(O)c12 2037716137 LBWKOUMCXLSLPR-NFSGFYSESA-N 959.300 4.179 10 10 KICE CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(C)cc3)c2C)c2cc(S(=O)(=O)N3CCOCC3)ccc21 8778112 BPFKVJMIJRRDMM-ONUIUJJFSA-N 505.640 4.331 10 10 KICE COc1ccc(CCN2C(=O)/C(=C\c3c(N4C[C@H](C)O[C@H](C)C4)nc4ccc(C)cn4c3=O)SC2=S)cc1 100851289 IYVYXKQPJRKCPF-DSFJGVSNSA-N 550.706 4.069 10 10 KICE CCOC(=O)c1ccc(N2N=C(C)/C(=C/c3ccccc3OCC(=O)Nc3ccccc3C(=O)OC)C2=O)cc1 101574625 HOCAQEPYISENQM-ULJHMMPZSA-N 541.560 4.474 10 10 KICE C=C(Br)C(=O)Nc1ccc(S(=O)(=O)O)c(N=N[C@@H]2C(=O)N(c3cc(Cl)c(S(=O)(=O)O)cc3Cl)N=C2C)c1 255986173 LSMLYSMFJGHQSH-KRWDZBQOSA-N 655.292 4.209 10 10 KICE C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3\SC(N4C[C@@H](C)O[C@H](C)C4)=NC3=O)c2)C[C@H](C)O1 256025215 RUSYVENEAPWPLL-QLHADSRCSA-N 621.785 4.417 10 10 KICE CCN(CC)C(=O)COc1ccc(-c2c(C)sc(NC(=O)C(=O)NCc3ccc(C)cc3)c2C(=O)OC)cc1 1860764111 ZSMOEEBPFMFLTI-UHFFFAOYSA-N 551.665 4.321 10 10 KICE CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN(C)C)=C(N)O2 1864011615 WRQPYZFDPYNRHP-QHCPKHFHSA-N 540.064 4.042 10 10 KICE CCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cc(C)ccc2C)[C@@H]1c1ccc(O)c(O)c1 1864016424 OXROBUSCBIZDIY-DEOSSOPVSA-N 510.594 4.457 10 10 KICE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)N2CCCCCC2)[C@@H]3c2ccc(O)c(O)c2)c1 1865028762 ZYASRMJJGDRNHF-RUZDIDTESA-N 502.615 4.365 10 10 KICE O=C(N[C@H](Cc1ccc(O)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cccc(N2CCCC2=O)c1 1866612203 PYMMWAPQVPWCNK-MUUNZHRXSA-N 573.605 4.274 10 10 KICE Cc1cc(C(=O)N[C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)nn1-c1ccc(Br)cc1 1866846680 BKFZMTGRAMNBOZ-MRXNPFEDSA-N 557.404 4.476 10 10 KICE O=C(Cc1ccc(N2CCOCC2)cc1)N[C@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1 1866904836 LAKXCUVBCYZBEM-HKBQPEDESA-N 559.622 4.337 10 10 KICE O=C(C[C@@H](c1ccccc1)c1ccc(F)c(F)c1)N[C@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867123564 ZBTWGVPEHBBTML-WNCULLNHSA-N 554.549 4.378 10 10 KICE COc1ccc(CN2C(=O)c3ccc(C(=O)NC(C)(C)C(=O)NC[C@H](c4ccc(N(C)C)cc4)N4CCCCC4)cc3C2=O)cc1 1867451440 SSVNRYZSSUFSTI-WJOKGBTCSA-N 625.770 4.409 10 10 KICE Cn1nc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c(F)c1NC(=O)c1ccccc1Cl 1871333269 NHVDPHPWHKANAQ-UHFFFAOYSA-N 502.889 4.493 10 10 KICE Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1C=C1C(=O)NC(=O)N([C@H](C)C23CC4CC(CC(C4)C2)C3)C1=O 2297549625 RDFLIWZJKKGHBZ-LREROPASSA-N 517.586 4.464 10 10 KICE CCCOc1c(Br)cc(C=C2C(=O)NC(=O)N(c3ccc(OCC)cc3)C2=O)cc1OC 2313518620 LVRCKDWGSTYWOU-UHFFFAOYSA-N 503.349 4.312 10 10 KICE Cc1ccc2nc(NC[C@@H]3CCCO3)c(C=C3SC(=S)N(CCc4ccccc4)C3=O)c(=O)n2c1 2314414030 NZKKEINUFBFIBG-IBGZPJMESA-N 506.653 4.038 10 10 KICE CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CN2C(=O)C(=Cc3ccc(F)cc3)SC2=S)cc1 2314627555 ILDMAUKFQHONKH-JOCHJYFZSA-N 513.660 4.301 10 10 KICE CCOC(=O)c1ccc(N2NC(=O)/C(=C\c3ccc(-c4ccc(Br)cc4C(=O)O)o3)C2=O)cc1 2144770 FQJOGTZGTMSFHO-XDHOZWIPSA-N 525.311 4.045 10 10 KICE CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 2189246 PYOWSCZPAKVNMI-UPWSPCOFSA-N 555.656 4.243 10 10 KICE CCCn1c(NCc2ccccc2)c(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c(C)c(C#N)c1=O 40066776 DNAIUZZGGAFBIA-CVHFWEDTSA-N 508.669 4.431 10 10 KICE Cc1c(/C=C2/SC(=S)N(C3CCCC3)C2=O)c(N2CCN(c3ccccc3F)CC2)n(C)c(=O)c1C#N 105635006 AMDQQQDINRTLAH-HZHRSRAPSA-N 537.686 4.175 10 10 KICE COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(\C)NCCSCc2nc[nH]c2C)cc1 205965709 VLMOZNOXYPEUEZ-HAVVHWLPSA-N 506.588 4.183 10 10 KICE CC(C)COc1cccc(C2=C(O)C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@H]2c2ccc(N(C)C)cc2)c1 526312803 XFFJULAUQPPQGY-SANMLTNESA-N 521.639 4.492 10 10 KICE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NC1CCCCC1)[C@H]2c1ccc(O)c(O)c1 1864017357 KIDCWUPBHXQYIS-QFIPXVFZSA-N 504.587 4.133 10 10 KICE CCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1OC(C)(C)C)=C(N)O2 1864018603 OYHQHJDXLKEDEW-QFIPXVFZSA-N 506.603 4.065 10 10 KICE COc1ccc(CCN2C(=O)C(=Cc3c(NC[C@H]4CCCO4)nc4c(C)cccn4c3=O)SC2=S)cc1 2297460321 FTUHYMCQMFLAQV-HXUWFJFHSA-N 536.679 4.046 10 10 KICE O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)C1=Cc1cc(Br)c(N2CCCC2)o1 2313565212 CVOBEQRBCIGGEJ-UHFFFAOYSA-N 525.222 4.236 10 10 KICE C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)C(=Cc2ccc(-c3ccccc3)cc2)SC1=S 2314837646 VIEMXCRQIOPRFE-INIZCTEOSA-N 523.661 4.229 10 10 KICE CCn1c(N2CCCC2)c(/C=C2\SC(=S)N(CCc3ccc(OC)cc3)C2=O)c(C)c(C#N)c1=O 35520728 ZQROLUAHZFTDGT-JCMHNJIXSA-N 508.669 4.101 10 10 KICE Cc1c(N2C(=O)/C(=C/c3c(N4CCC[C@@H](C)C4)nc4ccccn4c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C 1772721540 APEBNJSBXNOSAA-ZSYKKXJESA-N 572.716 4.134 10 10 KICE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)NC(C)C)=C(N)O3)cc1 1864017242 IRKRXQXXURIHLS-DEOSSOPVSA-N 544.583 4.377 10 10 KICE C[C@@H]1CCCN(C(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3Cc3cccc(F)c3)[C@H]2c2ccc(O)c(O)c2)C1 1865033968 LWXMINJPHGTSSI-JLTOFOAXSA-N 546.521 4.454 10 10 KICE CCCC[C@@H](NC(=O)c1nc(C(C)(C)C)n2ccccc12)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868788076 COTWNHZCEFWTIH-HSZRJFAPSA-N 505.663 4.278 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)Cc4ccccc4)n(-c4ccccc4Cl)n3)CC2)cc1 1869969908 XXCQNGBFOOONDG-UHFFFAOYSA-N 503.006 4.437 10 10 KICE COc1ccc(NC(=O)CN2C(=O)C(=C3SC(=S)N(Cc4ccccc4)C3=O)c3ccccc32)c(OC)c1 2296711361 RDRPOMWDOGUAHI-UHFFFAOYSA-N 545.642 4.461 10 10 KICE CCN1C(=O)C(=Cc2cc(C)n(-c3ccc(F)cc3)c2C)c2cc(S(=O)(=O)N3CCOCC3)ccc21 2297509118 YRAAEFIRCRQLPP-UHFFFAOYSA-N 509.603 4.161 10 10 KICE CC[C@@H](Oc1ccc(C=C2SC(=S)N(NC(=O)c3ccccc3Br)C2=O)cc1)C(=O)O 2314929889 UDYXPKQZXPWTDT-MRXNPFEDSA-N 521.414 4.237 10 10 KICE CCOCCOC(=O)[C@@H](CC)n1cc(C=C2SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 2326945402 LOQMWRXWNHYFRN-GOSISDBHSA-N 504.630 4.238 10 10 KICE COc1ccc(N2CCN([C@H](CNS(=O)(=O)c3cccc(C(F)(F)F)c3)c3ccco3)CC2)cc1 38619454 KDAXAMJHCVRHOR-JOCHJYFZSA-N 509.550 4.149 10 10 KICE CCCNc1nc2ccc(C)cn2c(=O)c1/C=C1/SC(=S)N(c2c(C)n(C)n(-c3ccccc3)c2=O)C1=O 100885886 SIJCNYHLKMJJLK-XSFVSMFZSA-N 546.678 4.028 10 10 KICE O=C1/C(=C/c2ccccc2)SC(=S)N1CCC(=O)N(Cc1c(F)cccc1Cl)[C@@H]1CCS(=O)(=O)C1 101283032 JUZQFQKLCWPMOU-OJSPLJLUSA-N 553.102 4.286 10 10 KICE CCOC(=O)c1ccc(NC(=O)CN2C(=O)/C(=C3/SC(=S)N(Cc4ccco4)C3=O)c3ccccc32)cc1 102679131 GJSYIEMHLIMXGQ-GHVJWSGMSA-N 547.614 4.213 10 10 KICE C=CCn1c(=O)/c(=C2/Sc3ccc(OC)cc3N2C)s/c1=C1/C(=O)N(c2ccccc2)N=C1Nc1ccccc1 106356768 HXSARSBDAXIQMV-STJQTKKMSA-N 567.696 4.035 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)COc3ccc(Cl)c(C)c3)c3ccccc3)CC2)cc1 1862191396 OKMGGWAWFUQFQS-HHHXNRCGSA-N 508.018 4.242 10 10 KICE CCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1 1864015146 KFTXBCISMKETCR-GOSISDBHSA-N 502.493 4.222 10 10 KICE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N[C@@H](C)c1ccc(OC)cc1)[C@H]2c1ccc(O)c(O)c1 1864022977 SVNJRQUZKPAUBD-DJJJIMSYSA-N 532.519 4.304 10 10 KICE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(=O)c2cc(I)ccc2[nH]1 1866528741 XQVJJPLSWOKLNP-UHFFFAOYSA-N 520.282 4.160 10 10 KICE CSCC[C@H](NC(=O)c1ccc(F)c(F)c1F)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867812657 BLFSEJSWNMHHHU-XZOQPEGZSA-N 536.664 4.365 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCC5(CC4)OCCO5)nc(-c4ccc(C)cc4)n3)CC2)cc1 1867963837 HZFYXSNWXPDHDE-UHFFFAOYSA-N 501.631 4.131 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCN(c5ccc(F)cc5)CC4)nc(-c4cccnc4)n3)CC2)cc1 1868000798 HNMMMSZWNGGOAW-UHFFFAOYSA-N 525.632 4.340 10 10 KICE CCCc1nc(N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)cc(N2CCN(c3ccc(OC)cc3)CC2)n1 1869222020 UVOPTEWXDOONKA-UHFFFAOYSA-N 539.684 4.208 10 10 KICE CCn1cc(OCC(=O)Nc2ccccc2C(C)C)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870728175 BZDNITUWJRXFIW-UHFFFAOYSA-N 518.658 4.340 10 10 KICE COc1ccc(CCNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C[C@@H]3CCCO3)C2=O)cc1OC 1873166316 LHQWRBAJOBAHPI-VWLOTQADSA-N 529.637 4.203 10 10 KICE Cc1c(NC(=O)CN2C(=O)C(=C3SC(=S)N(C4CCCCC4)C3=O)c3ccccc32)c(=O)n(-c2ccccc2)n1C 2296714377 RAJLMLMULRGRCR-UHFFFAOYSA-N 587.727 4.374 10 10 KICE COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)C1=Cc1cc2c(cc1Br)OCO2 2297308107 DWUAYLPAXUEWNN-UHFFFAOYSA-N 530.371 4.110 10 10 KICE COc1ccc(S(=O)(=O)Oc2ccc(C=C3C(=N)N4N=C(c5ccc(C)cc5)SC4=NC3=O)cc2)cc1 2297499947 ZWDBXZFSWRPICG-UHFFFAOYSA-N 532.603 4.439 10 10 KICE COc1ccc(CCN2C(=O)C(=Cc3ccc(O[C@@H](C)C(=O)O)c(OC)c3)SC2=S)cc1OC 2314933678 WZOUDLBRIZGTNY-AWEZNQCLSA-N 503.598 4.008 10 10 KICE CC(C)(C)C(=O)OC[C@@H]1O[C@@H](N=[N+]=[N-])[C@@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C 5848049 ZRIINKFKQWXADE-KFGODFMUSA-N 541.642 4.485 10 10 KICE CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCCOCCOc1cccc(C)c1 83293358 ZXJLIXBZIIZRLN-PLRJNAJWSA-N 502.567 4.330 10 10 KICE COc1ccc(N2CCN(c3cc(C(C)(C)C)nc(SCc4ccc(C(=O)NCCN5CCOCC5)cc4)n3)CC2)cc1 98015400 AYCZDJPPHAXFPJ-UHFFFAOYSA-N 604.821 4.464 10 10 KICE CCCCN1C(=O)/C(=C2/SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c2ccccc21 102683744 OUVOOSKJYZWNEF-LSDHQDQOSA-N 504.637 4.407 10 10 KICE COc1c(I)cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1I 164455227 XKTNGDDPKVYFTL-SDQBBNPISA-N 653.008 4.333 10 10 KICE Cc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)c1ccccc1)=C(N)O2 1864011494 IJODAMRBEWFJTQ-LMKMVOKYSA-N 514.557 4.362 10 10 KICE Cc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1Cl)=C(N)O2 1864011869 MDZPKJIFMZQYHV-XMMPIXPASA-N 534.975 4.455 10 10 KICE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccncc1)=C(N)O2 1864013543 YCSRORNIQRWIRX-VWLOTQADSA-N 525.609 4.010 10 10 KICE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cn(C)c3ccccc13)=C(N)O2 1864014378 TVGYQXOIIUYTCF-AREMUKBSSA-N 543.668 4.448 10 10 KICE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@@H](C)C1)=C(N)O2 1865028400 UFWDUUNPASWGOQ-AQKDONEWSA-N 509.006 4.444 10 10 KICE CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OCCCOc4cc(C)ccc4C)cc3)C(=N)N21 2297345509 DALNSCFRYCQWBJ-UHFFFAOYSA-N 526.640 4.163 10 10 KICE CCCCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(c2c(C)n(C)n(-c3ccccc3)c2=O)C1=O 2314413718 FVFKIRREYCLDAZ-UHFFFAOYSA-N 560.705 4.419 10 10 KICE CC(C)CN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCOCC3)c2)SC1=S 2314476106 IWYCFSYTTNBNHQ-UHFFFAOYSA-N 568.746 4.417 10 10 KICE Cc1ccc2nc(NC3CCCC3)c(/C=C3/SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(=O)n2c1 33726915 KXEFKHMAMGCRCV-SRZZPIQSSA-N 520.636 4.488 10 10 KICE Cc1ccc2nc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)c(/C=C3/SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(=O)n2c1 150421955 KVFQPZVOWVMSQC-RDRPBHBLSA-N 707.838 4.257 10 10 KICE COc1ccc(OC)c(/C=C/C(=O)N2CCC(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)CC2)c1 1860601073 VLOOIAVKAVHBDS-JLHYYAGUSA-N 524.573 4.370 10 10 KICE Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC(C)C)=C(N)O2 1864010507 UYCXQNQDWZSKCY-QHCPKHFHSA-N 545.011 4.069 10 10 KICE CCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@H]1c1ccc(O)c(O)c1 1864014553 YCSOFKBODLYDRM-OAQYLSRUSA-N 502.958 4.435 10 10 KICE CN(C)c1ccc([C@@H](CNC(=O)[C@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c2ccccc2)N2CCCCC2)cc1 1867832945 SZGUDRAPGDBVPF-VSGBNLITSA-N 574.638 4.384 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)/C=C/c4ccc(OCc5ccccc5)cc4)n(C)n3)CC2)cc1 1869969905 XTXHOIABDRXDAS-LICLKQGHSA-N 524.625 4.381 10 10 KICE COc1ccc(N2CCN(C(=O)c3ccc(CNS(=O)(=O)c4c(Cl)cccc4Cl)cc3)CC2)cc1 1892142188 VUFRCCGSHAAFTE-UHFFFAOYSA-N 534.465 4.443 10 10 KICE O=C1NC(=S)N(c2cccc(Br)c2)C(=O)C1=Cc1cc(Br)c(N2CCCC2)o1 2313562475 SUZYUZBKPNTBOX-UHFFFAOYSA-N 525.222 4.236 10 10 KICE C[C@@H](O)[C@H](C(=O)O)N1C(=O)C(=Cc2cn(CCOc3ccc(Cl)cc3)c3ccccc23)SC1=S 2318683324 BXKQZEBBEMYYJH-SPLOXXLWSA-N 517.028 4.409 10 10 KICE COc1ccc(CCN2C(=O)/C(=C\c3c(N4CCCC4)nc4c(C)cccn4c3=O)SC2=S)cc1 33473964 LFZLKBXMUPNPGW-LTGZKZEYSA-N 506.653 4.056 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 1084502060 OVNHSLBNBAHRFV-MHZLTWQESA-N 559.619 4.074 10 10 KICE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1)=C(N)O2 1864011420 UIPPIMYUPSUIJC-VWLOTQADSA-N 526.593 4.256 10 10 KICE CCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1864014713 AUWRJPKWNVWLSB-MRXNPFEDSA-N 543.329 4.499 10 10 KICE Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)NCc2ccccn2)[C@H]3c2ccc(O)c(O)c2)cc1 1864015804 VXNKIBCXVBURIL-FQEVSTJZSA-N 537.498 4.017 10 10 KICE CC1CCN(C(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3Cc3cccc(F)c3)[C@H]2c2ccc(O)c(O)c2)CC1 1865034123 PPDSXZDBZLMANH-HXUWFJFHSA-N 546.521 4.454 10 10 KICE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)N1CCCC[C@@H]1C)[C@@H]2c1ccc(O)c(O)c1 1865034395 VWBGSZGGAJBKLJ-KSFYIVLOSA-N 504.587 4.085 10 10 KICE Cc1ccc(N2C(=O)c3ccc(C(=O)N[C@H](c4ccc(N(C)C)cc4)c4nccn4C)cc3C2=O)c(C)c1 1865886817 VISNVAFWFIMEER-AREMUKBSSA-N 507.594 4.423 10 10 KICE O=C(CCc1ncc2ccccn12)N[C@H](Cc1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866897073 ADCWVCBSCPDMIZ-HHHXNRCGSA-N 542.595 4.409 10 10 KICE CCc1ccc(-c2nc(CC(=O)N[C@@H](C(=O)N3CCN(c4ccc(OC)cc4)CC3)C(C)C)c(C)o2)cc1 1868988643 WRIIQFVQWGBXJL-MUUNZHRXSA-N 518.658 4.253 10 10 KICE COc1ccc(N2CCN(c3nc(=NC(=O)c4ccc(C)cc4)n(-c4cccc(Cl)c4)[nH]3)CC2)cc1 1869970108 FMYGHSUHZJDICC-UHFFFAOYSA-N 503.006 4.239 10 10 KICE COc1ccc(N2CCN(c3nc(NC(=O)c4ccc(F)cc4F)n(-c4ccc(OC)cc4)n3)CC2)cc1 1869970886 ZWOZHENWRXZNSD-UHFFFAOYSA-N 520.540 4.142 10 10 KICE CC(C)OCCOc1cn(CCN2CCOCC2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870987055 OTOULAWVEGUFDW-UHFFFAOYSA-N 506.647 4.340 10 10 KICE COc1ccc(N2CCN(c3ncnc4c3ccc(=O)n4-c3ccc(Br)cc3C)CC2)cc1 1873536172 IZABIVCLWGWYPY-UHFFFAOYSA-N 506.404 4.187 10 10 KICE N=C1C(=Cc2cn(Cc3ccccc3Cl)c3ccccc23)C(=O)N=C2SC(CC(=O)N3CCOCC3)=NN12 2296633557 CPZYESKCENXNAH-UHFFFAOYSA-N 547.040 4.211 10 10 KICE Cc1ccc(NC(=O)CN2C(=O)C(=C3SC(=S)N(CCCCCC(=O)O)C3=O)c3ccccc32)cc1 2296710671 PNMDZCKFRHUQQS-UHFFFAOYSA-N 523.636 4.197 10 10 KICE CCOc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)ccc1OCc1ccccc1F 2297345585 JUQRALYRRLOGEG-UHFFFAOYSA-N 530.603 4.203 10 10 KICE CCOCCCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(Cc2ccc(OC)cc2)C1=O 2297461423 PFGQWIRWDOHNRI-UHFFFAOYSA-N 524.668 4.251 10 10 KICE COCCNc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccccc2Cl)C1=O 33795862 YKFMYTAJMLVDBR-LDADJPATSA-N 501.033 4.116 10 10 KICE COc1ccc(CN2C(=O)/C(=C/c3c(N4CCC[C@@H](C)C4)nc4ccccn4c3=O)SC2=S)cc1 33804014 NPOIIAIMBXJSOA-RHTHQAGFSA-N 506.653 4.341 10 10 KICE CCOc1c(C)cc(S(=O)(=O)NC[C@@H](c2ccco2)N2CCN(c3ccc(OC)cc3)CC2)cc1C 38619492 MQGLTNWHZJJSHX-VWLOTQADSA-N 513.660 4.146 10 10 KICE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCCOc4cc(C)ccc4C)c(Cl)c3)C(=N)N21 101395732 KJZATWLCRCCNMW-ACKDDNJSSA-N 547.058 4.426 10 10 KICE COc1cc(/C=C2\C(=N)N3N=C(S(=O)(=O)CC(C)C)SC3=NC2=O)ccc1OCc1ccccc1F 101399512 DGJXJGOCBVTUKH-NIHKYSPPSA-N 530.603 4.061 10 10 KICE Cc1cccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(CC(=O)N5CCCCC5)SC4=NC3=O)cc2)c1 102765000 URLMXWGNFLEICH-BJDNMCPZSA-N 531.638 4.475 10 10 KICE CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)cc(I)c3OCC)C2=O)cc1 164063819 XEBUOIGSVFLCNF-MHWRWJLKSA-N 632.192 4.360 10 10 KICE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)N1CCc3ccccc3C1)[C@@H]2c1ccc(O)c(O)c1 1865034034 NPILLQRMAFHMBY-RUZDIDTESA-N 538.604 4.269 10 10 KICE COC(=O)c1c(NC(=O)c2nn(-c3ccc(OC)cc3)c(=O)cc2O)sc(C)c1-c1ccc(C)cc1 1866270150 RGIVKOLRKLDBAD-UHFFFAOYSA-N 505.552 4.331 10 10 KICE COc1ccc([C@@H](CC(=O)N[C@@H](CO)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C(C)C)cc1C 1866772387 SCLJDSRWWRCHDJ-ZCYQVOJMSA-N 528.605 4.025 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)C[C@H](c3ccccc3)c3ccc(F)c(F)c3)CC2)cc1 1868950531 OULHGPUIXPTMEA-NBGIEHNGSA-N 507.581 4.349 10 10 KICE CCN(CC)CCCCn1cc(OCC(=O)NC)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1871017141 NIIVTHZNMOBSTO-UHFFFAOYSA-N 505.663 4.451 10 10 KICE COc1ccc(N2CCN(c3nc(=NCC(C)C)[nH]c(=Nc4ccc(Cl)c(Cl)c4)[nH]3)CC2)cc1 1871484490 KHDQNQITCVSTNC-UHFFFAOYSA-N 502.450 4.169 10 10 KICE COc1cc(C=C2C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Cl)c1OCc1ccc(C(=O)O)cc1 2294093808 RGXPDYJOJPTGOP-UHFFFAOYSA-N 550.907 4.021 10 10 KICE CCc1nnc(NS(=O)(=O)c2ccc(NC=C3C(=O)N(c4ccc(Cl)cc4)N=C3C)cc2)s1 2297321547 OVMLUVFNPOQLMZ-UHFFFAOYSA-N 503.009 4.273 10 10 KICE Cc1ccc2nc(NC[C@H]3CCCO3)c(C=C3SC(=S)N(CCc4ccccc4)C3=O)c(=O)n2c1 2314414031 NZKKEINUFBFIBG-LJQANCHMSA-N 506.653 4.038 10 10 KICE COc1ccc(CN2C(=O)/C(=C/c3c(N4CCC[C@H](C)C4)nc4ccccn4c3=O)SC2=S)cc1 33804016 NPOIIAIMBXJSOA-XESZTULISA-N 506.653 4.341 10 10 KICE CCOC(=O)Oc1c2c(c(OC(=O)OCC)c3c1C(=O)c1cccc(OC)c1C3=O)[C@H](OC(=O)OCC)C[C@@](O)(C(C)=O)C2 256607174 YJTXQIIZHCNWLB-VPTFNQTCSA-N 614.556 4.022 10 10 KICE COC(=O)c1c(NC(=O)C(=O)Nc2sc3c(c2C(N)=O)CCCC3)sc(C)c1-c1ccc(C)cc1 1860767236 XPFQLXLGFWMHDU-UHFFFAOYSA-N 511.625 4.435 10 10 KICE CCCCOCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2Cl)[C@H]1c1ccc(O)c(O)c1 1864009094 ZESIZCGEYQIKNZ-HSZRJFAPSA-N 527.021 4.263 10 10 KICE NC1=C(C(=O)NC2CCCCCC2)[C@@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3ccccn3)c2O1 1864023008 UDKBIBCLDSSETO-IBGZPJMESA-N 529.519 4.231 10 10 KICE CC[C@H](NC(=O)CCCc1ccc2c(c1)OCCO2)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866790290 WULGXPKDMVIVTM-QFIPXVFZSA-N 512.562 4.089 10 10 KICE CC(=O)Oc1cccc(C(=O)N[C@H](Cc2ccccc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867301576 DQHBJFWFZCCNSI-FIRIVFDPSA-N 556.707 4.362 10 10 KICE COc1cccc(OC)c1C(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867369113 QYGWCPBCFUXOBP-NSOVKSMOSA-N 558.723 4.454 10 10 KICE CCOc1ccc(C(=O)N[C@H](CCSC)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867541694 ISBSWQPZMQTUPL-SXOMAYOGSA-N 526.747 4.346 10 10 KICE COc1ccc(N2CCN(c3cc(N(C(=O)[C@@H]4CCCN4)c4cc(C)on4)nc(-c4ccccc4)n3)CC2)cc1 1869195561 JOFYJXDWOLUIIH-VWLOTQADSA-N 539.640 4.192 10 10 KICE COc1ccc(N2CCN(c3nc(=NCc4ccco4)[nH]c(=Nc4cccc5ccccc45)[nH]3)CC2)cc1 1871729867 UYZHCDAQFQNZSB-UHFFFAOYSA-N 507.598 4.153 10 10 KICE COc1ccc(NC(=O)CN2C(=O)C(=C3SC(=S)N(CCc4ccccc4)C3=O)c3ccccc32)cc1 2296538213 FZNUQXVDFSVASH-UHFFFAOYSA-N 529.643 4.495 10 10 KICE CCCCN1C(=O)C(=Cc2c(N3CCN(Cc4ccccc4)CC3)nc3ccc(C)cn3c2=O)SC1=S 2296696386 YTHDUECUZWUAGI-UHFFFAOYSA-N 533.723 4.326 10 10 KICE O=C(O)[C@H](Cc1ccc(O)cc1)N1C(=O)C(=Cc2cc(Cl)cc(Br)c2O)SC1=S 2323812716 YDIVBGCOJVSQNV-AWEZNQCLSA-N 514.806 4.411 10 10 KICE CC[C@@H](C)N1C(=O)/C(=C\c2c(N3CCN(c4ccccc4F)CC3)nc3ccccn3c2=O)SC1=S 35190008 WVCLWBKXJFQYKH-GFXBCDTMSA-N 523.659 4.160 10 10 KICE Cc1cccn2c(=O)c(/C=C3/SC(=S)N([C@H]4CCS(=O)(=O)C4)C3=O)c(Oc3ccc(Cl)cc3Cl)nc12 101063137 YIKCTIUYLRQZAN-XKYMITNMSA-N 582.512 4.490 10 10 KICE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCCCOc4cc(C)ccc4C)cc3)C(=N)N21 101395508 DALNSCFRYCQWBJ-ARJKYRGMSA-N 526.640 4.163 10 10 KICE NS(=O)(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C/c3cccc(Cl)c3Cl)SC2=S)cc1 101967668 QRAQRPHSPLMRPL-WJDWOHSUSA-N 530.480 4.261 10 10 KICE N#Cc1ccccc1[C@@H]1N[C@](Cc2c[nH]c3ccccc23)(C(=O)O)[C@@H]2C(=O)N(Cc3ccc4c(c3)C(=O)c3ccccc3C4=O)C(=O)[C@H]12 150639704 JSEXHLURYMHSIQ-ZJBFZVIPSA-N 634.648 4.327 10 10 KICE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)NCCc2cccs2)[C@@H]3c2ccc(O)c(O)c2)c1 1864012148 SIONRUBABARTKO-RUZDIDTESA-N 530.650 4.383 10 10 KICE CCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(OC)cc2)[C@H]1c1ccc(O)c(O)c1 1864014518 XBRIEFAPHBZDMG-HSZRJFAPSA-N 512.566 4.180 10 10 KICE COc1ccc([C@H](C)NC(=O)C2=C(N)Oc3c(c(-c4ccccc4)nn3C)[C@H]2c2ccc(O)c(O)c2)cc1OC 1864016770 WVZUZKWFZBASCI-UPCLLVRISA-N 542.592 4.088 10 10 KICE CCCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2Cc2cccc(F)c2)[C@@H]1c1ccc(O)c(O)c1 1864017006 CEDQMSRNJSWWTE-DEOSSOPVSA-N 544.583 4.378 10 10 KICE CCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1OC)=C(N)O2 1864018476 LTTLADDATVUKGV-RUZDIDTESA-N 544.583 4.064 10 10 KICE CCC[C@@H](NC(=O)c1cccc(N2CCCC2=O)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866612270 RIMIVLSOLFDEBE-XMMPIXPASA-N 509.562 4.126 10 10 KICE COc1ccccc1NCCC(=O)N[C@H](CCSC)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866890682 FOYFAOWNILNDJE-HSZRJFAPSA-N 531.634 4.149 10 10 KICE CCOC(=O)CN(Cc1ccccc1)c1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(-c2cccnc2)n1 1868003762 VEFJZOWZRICBJP-UHFFFAOYSA-N 538.652 4.444 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCC3CCC(C(=O)OC(C)C)CC3)C(=O)N(CCN(C)C)C2=O)cc1 1873170844 TWXUAECTHZGMJJ-UHFFFAOYSA-N 534.701 4.083 10 10 KICE CS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(OCc4ccc(Cl)cc4)c(Cl)c3)C(=O)N=C2S1 2297346141 GYRWOFAVEMCSDF-UHFFFAOYSA-N 509.396 4.194 10 10 KICE Cc1ccc2nc(NCc3ccco3)c(C=C3SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(=O)n2c1 2314413802 IGTKRCDFAMQHGE-UHFFFAOYSA-N 532.603 4.338 10 10 KICE CCN1CCN(c2nc3ccc(C)cn3c(=O)c2/C=C2/SC(=S)N([C@@H](C)c3ccccc3)C2=O)CC1 33757399 JFXLXGFAHSWJGR-QZMYASAMSA-N 519.696 4.107 10 10 KICE COc1cc(/C=C2\C(=O)N(c3cccc(C)c3C)C(=O)N=C2O)cc(I)c1OC 59861283 QEQZABZVBWZBMQ-ZSOIEALJSA-N 506.296 4.432 10 10 KICE O=C(c1ccccc1)N1CCN(c2ccc(N/C=C3\C(=O)N(c4ccc(F)cc4)C(=O)N=C3O)cc2)CC1 103101279 JFWBLVGJKVTODC-MOHJPFBDSA-N 513.529 4.207 10 10 KICE Cc1c(/C=C2\SC(=S)N(CCCCCCCCCCC(=O)O)C2=O)c(N2CCN(C)CC2)n(C)c(=O)c1C#N 110518972 WSRGXBPJUIZLBL-NKFKGCMQSA-N 573.785 4.114 10 10 KICE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(OCc2ccc(C(=O)O)cc2)c(I)c1 1084126528 FUMNDAQNAVSGNK-ODLFYWEKSA-N 586.313 4.374 10 10 KICE CCN(CCO)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1865032173 XFVFHFPAYOFUEM-QHCPKHFHSA-N 547.011 4.139 10 10 KICE CCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCc3ccccc3C1)=C(N)O2 1865035251 PFAIGXXQSPPVQR-SANMLTNESA-N 540.595 4.324 10 10 KICE O=C1c2ccccc2C(=O)c2c(NC(=O)c3c[nH]c4ccc(I)cc4c3=O)cccc21 1866154863 NAOAXMMTADTTKY-UHFFFAOYSA-N 520.282 4.160 10 10 KICE O=C(O)C[C@@H](C(=O)O)N1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)SC1=S 2297468237 CJXFLYOLLOBLEA-KRWDZBQOSA-N 513.984 4.322 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)C(C)=Cc3ccccc3)CC2)cc1 2330071060 BMOWCIFHZOHETK-MUUNZHRXSA-N 501.602 4.314 10 10 KICE CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 6378541 ISVFAHXENJHHSY-PQRKSKNISA-N 598.681 4.352 10 10 KICE CC(=O)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4ccnc4)(c4cc(Cl)cc(Cl)c4)O3)cc2)CC1 575629581 UZDLMXDHFGKRPX-UIOOFZCWSA-N 531.440 4.206 10 10 KICE CN1CCN(c2ccc(/C=C3/C(=O)NC(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)cc2[N+](=O)[O-])CC1 1083931057 YMHKYRYOUHMOTE-YSMPRRRNSA-N 569.662 4.481 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3ccc(Br)cc3)c3ccccc3)CC2)cc1 1862042652 PZWJWKCTGPJFDA-DEOSSOPVSA-N 508.416 4.278 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)c3ccc4nc(-c5ccccc5)[nH]c4c3)CC2)cc1 1862090684 PJMJVNGVHWKOLE-HHHXNRCGSA-N 509.610 4.192 10 10 KICE CCCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccccc1)=C(N)O2 1864013231 TYXNHUXLRJTKLE-SANMLTNESA-N 524.621 4.349 10 10 KICE NC1=C(C(=O)NC2CCCC2)[C@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(Cc3ccccc3)c2O1 1864014855 FBLAOVCUWROKKQ-LJQANCHMSA-N 514.504 4.115 10 10 KICE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)NC2CCCC2)[C@H]3c2ccc(O)c(O)c2)cc1 1864014986 HOYLOLVBKCGMMI-IBGZPJMESA-N 530.503 4.064 10 10 KICE CCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCc3ccccc3C1)=C(N)O2 1865032763 KBEQZLQTPJOAFD-SANMLTNESA-N 522.605 4.185 10 10 KICE COc1cccc(C(=O)N[C@H](Cc2ccc(OC(C)=O)cc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867384652 OHANZUCTRTXBRS-ZWXJPIIXSA-N 586.733 4.371 10 10 KICE CC[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867883162 QILYVJYWHGVXRJ-ISKFKSNPSA-N 516.042 4.166 10 10 KICE CC[C@](C)(NC(=O)c1cc(C2CC2)n2nc(C(C)(C)C)cc2n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868996629 UVQQTCAJWBOKRB-PMERELPUSA-N 532.689 4.160 10 10 KICE COc1ccc(N2CCN(Cc3cc(=O)c(OCCOC(C)C)cn3Cc3ccccc3F)CC2)cc1 1870551710 XMNGOFNBJRVTGV-UHFFFAOYSA-N 509.622 4.170 10 10 KICE COc1ccc(CCN2C(=O)C(=C3SC(=S)N(CCc4ccc(OC)c(OC)c4)C3=O)SC2=S)cc1OC 2297554934 DSDVHHTZEGUKMV-UHFFFAOYSA-N 590.770 4.438 10 10 KICE CC(C)(C)C(=O)OC[C@@H]1O[C@@H](N=[N+]=[N-])[C@@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C 5848061 ZRIINKFKQWXADE-FLXSYLCISA-N 541.642 4.485 10 10 KICE CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)ccc1OCCC(=O)O 59816260 NAAZOOMBCUQQRE-LDADJPATSA-N 551.440 4.248 10 10 KICE Cc1c(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)c(N2CCN(c3ccccc3F)CC2)n(C)c(=O)c1C#N 110520227 PLHYDVZOCBYXPP-WGARJPEWSA-N 603.701 4.161 10 10 KICE COC(=O)[C@@H](N)Cc1cc(CN(Cc2ccccn2)Cc2ccccn2)c(O)c(CN(Cc2ccccn2)Cc2ccccn2)c1 1083815555 UYWXFNYPDFXMSF-UMSFTDKQSA-N 617.754 4.420 10 10 KICE COc1cc(OC)cc(C(=O)Nc2cc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)ccn2)c1 1860505173 LKDHFJDGYFQWJV-UHFFFAOYSA-N 507.502 4.379 10 10 KICE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H]1CCCO1)=C(N)O2 1864017410 LOVWHTASLCAPER-VFNWGFHPSA-N 545.423 4.143 10 10 KICE CC[C@@H](NC(=O)c1sc(CNC(=O)OC(C)(C)C)nc1C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867079941 OKFYMPLIPNIJHN-LJQANCHMSA-N 562.648 4.399 10 10 KICE CC(=O)Oc1ccc(C[C@@H](NC(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867795662 NPVRXUFCULLAKB-LXANVCGNSA-N 644.773 4.337 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)[C@@H](C)Cc3ccc(F)cc3)CC2)cc1 1868767247 ULEUTVMCPMLNLU-RBTNQOKQSA-N 521.608 4.228 10 10 KICE COc1ccc(N2CCN(c3cc(N4CC(=O)N5CC(C)(C)c6ccc(Cl)cc6[C@@H]5C4)nc(C)n3)CC2)cc1 1869299992 JTXOAHPPXNZQHZ-SANMLTNESA-N 547.103 4.455 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCN(c5ccccc5NC(C)=O)CC4)nc(-c4cccnc4)n3)CC2)cc1 1869368745 FPJRNZTZLWJHFG-UHFFFAOYSA-N 564.694 4.159 10 10 KICE Cc1ccc(C)n1-c1ccc(C2=C(NCCCN3CCOCC3)C(=O)N(CCC3=CCCCC3)C2=O)cc1 1873169278 IFAJWEOWZCGREX-UHFFFAOYSA-N 516.686 4.376 10 10 KICE CCCCN1C(=O)C(=Cc2c(N3CCN(c4ccccc4)CC3)nc3ccc(C)cn3c2=O)SC1=S 2296340317 LSGJKELIZFMPTO-UHFFFAOYSA-N 519.696 4.331 10 10 KICE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CC(C)C)C3=O)c(N3CCN(c4ccccc4F)CC3)nc12 1449957 MVQBMNGDHFPHKC-PXLXIMEGSA-N 537.686 4.326 10 10 KICE O=C1/C(=C\c2c(NC[C@@H]3CCCO3)nc3ccccn3c2=O)SC(=S)N1Cc1ccccc1Cl 15228503 GAFVNVPSGMSNPI-QUYZQLMHSA-N 513.044 4.340 10 10 KICE N=C1/C(=C\c2ccc(OS(=O)(=O)c3ccccc3)c(Cl)c2)C(=O)N=C2SC(c3cccnc3)=NN12 103581796 LNPGNOMCTDCNJF-BVDVPRQSSA-N 523.983 4.170 10 10 KICE COC(=O)c1ccccc1N1C[C@H](C(=O)Nc2sc3c(c2C(=O)OC)CC[C@@H](C(C)(C)C)C3)CC1=O 1865924359 RYLDDPUQGNYYOC-HZPDHXFCSA-N 512.628 4.464 10 10 KICE CSCC[C@H](NC(=O)c1cccc(N2CCCC2=O)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866614860 LCCGYIMFPPNJLE-DEOSSOPVSA-N 541.629 4.079 10 10 KICE CC(C)(NC(=O)CCc1csc(-c2ccncc2)n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867057909 UDPXJMBNUZGVBT-UHFFFAOYSA-N 524.602 4.447 10 10 KICE COc1cccc(-c2cc(C(=O)NC(C)(C)C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)no2)c1 1867146122 BQEAMCLKJKBYNO-UHFFFAOYSA-N 509.518 4.273 10 10 KICE CCCC[C@@H](NC(=O)CCc1nc(O)c2ccccc2n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867260963 LHMZEEMPBXXPCB-XMMPIXPASA-N 536.588 4.357 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCN(c5ccc([N+](=O)[O-])cc5)CC4)nc(-c4cccnc4)n3)CC2)cc1 1868004003 DVLQOWDMWCBHDJ-UHFFFAOYSA-N 552.639 4.109 10 10 KICE O=C1NC2(CCOc3ccc(C(F)(F)F)cc3S(=O)(=O)N3C[C@H](OCc4cn(Cc5ccccc5)nn4)C[C@@H]13)CCN(Cc1ccccc1O)CC2 2080453562 OTANXFGFXDDKRG-IHLOFXLRSA-N 740.805 4.333 10 10 KICE Cc1c(NC(=O)CCCN2C(=O)C(=C3SC(=S)N(CCCC(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)SC2=S)c(=O)n(-c2ccccc2)n1C 2295914225 VUKVFFJPLVROQS-UHFFFAOYSA-N 805.002 4.352 10 10 KICE Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccc(F)cc4)C3=O)c(N3CCSCC3)nc12 2295993275 DAMUULLZVOKDND-UHFFFAOYSA-N 512.657 4.097 10 10 KICE CCOC(=O)c1ccc(NC(=O)CN2C(=O)C(=C3SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c3ccccc32)cc1 2296539416 WDPJDCOOYWBJHB-UHFFFAOYSA-N 653.742 4.422 10 10 KICE Cc1ccc2nc(N3C[C@H](C)O[C@H](C)C3)c(C=C3SC(=S)N(CCc4ccccc4)C3=O)c(=O)n2c1 2314400199 KYODFNRUYBVFLI-KDURUIRLSA-N 520.680 4.060 10 10 KICE O=C(CCCN1C(=O)C(=Cc2ccc(Cl)cc2)SC1=S)N1CCN(CCc2ccccn2)CC1 2314627667 RJWSPEXULIKRQZ-UHFFFAOYSA-N 515.104 4.103 10 10 KICE CCCCn1c(N2CCC(C)CC2)c(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c(C)c(C#N)c1=O 39990393 CTBBAGCMHTXSOT-MAGMUUGSSA-N 514.717 4.445 10 10 KICE CCCCn1c(NCc2ccc(F)cc2)c(/C=C2\SC(=S)N(CCOC)C2=O)c(C)c(C#N)c1=O 40067026 HPGRVHATVRMBKZ-BKUYFWCQSA-N 514.648 4.427 10 10 KICE CCOc1cc(/C=C2\C(=N)N3N=C(S(=O)(=O)CC(C)C)SC3=NC2=O)ccc1OCc1ccccc1 102446146 CDHJTUBHULIFPK-VYIPLNHISA-N 526.640 4.312 10 10 KICE COc1cc(/C=C2\C(=N)N3C(SC)=NSC3=NC2=O)cc(OC)c1OCCOc1cccc(C)c1 104372261 QFLOOEKDESJYNK-LECIVKJOSA-N 512.613 4.410 10 10 KICE CCCCn1c(N2CCN(c3ccccc3F)CC2)c(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)c(C)c(C#N)c1=O 110531430 CAWMQPHOBGJXNJ-ULJHMMPZSA-N 597.738 4.360 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@H]1c1ccc(F)cc1 252670497 KUHFCAWQBHBJBK-SANMLTNESA-N 560.607 4.253 10 10 KICE C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)CCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)[C@H]2CCS(=O)(=O)C2)o1 256043552 RBINRFGENLDREK-MNNZMVSYSA-N 562.710 4.349 10 10 KICE CC(=O)NS(=O)(=O)c1ccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3)[C@H]2c2ccc(N(C)C)cc2)cc1 526138733 ADOMDGVCQPEPDP-XMMPIXPASA-N 526.014 4.288 10 10 KICE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(CN4CCN(C)CC4)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1 526602503 RTTYHBIBHWKFPP-MUUNZHRXSA-N 515.610 4.301 10 10 KICE CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C/c3cc(OC)c(OCC)cc3Br)C2=O)c1 1084426470 RKTNQAGRNLPPDC-YBEGLDIGSA-N 533.375 4.320 10 10 KICE CC(=O)Oc1ccc(C[C@@H](NC(=O)[C@H](c2ccccc2)N(C)C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 1866697360 FIQIMXBXXDLOEK-VEEOACQBSA-N 589.648 4.356 10 10 KICE CCCC[C@H](NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867805608 RSWAPDBHYPRIKN-AZGAKELHSA-N 569.703 4.310 10 10 KICE COCCCN1[C@@H](C)CN(c2cc(Nc3cccc4c3C(=O)c3ccccc3C4=O)nc(CCOC)n2)C[C@H]1C 1868254271 KCYLRPWAJVULSJ-OYRHEFFESA-N 543.668 4.120 10 10 KICE O=C1c2ccccc2C(=O)c2c(Nc3cc(N4CCN(C(=O)C5CC5)CC4)nc(-c4cccnc4)n3)cccc21 1868563488 CBWCYMPNUDKZQK-UHFFFAOYSA-N 530.588 4.116 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)CCC(=O)c3ccc(C)cc3C)CC2)cc1 1868936943 LBOGAXWVBPYSEH-GDLZYMKVSA-N 527.665 4.351 10 10 KICE CCCCOCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cccc(C)c2C)[nH]1 1871590723 IXTIGZIHUJIMPJ-UHFFFAOYSA-N 519.694 4.030 10 10 KICE COc1ccccc1OCCOc1c(Br)cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)cc1OC 2297347425 JXNJYIAYZSARNO-UHFFFAOYSA-N 528.359 4.374 10 10 KICE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)c(C)c3C)C2=O)cc(I)c1O 2313548732 DHGHADWSMBLJIZ-UHFFFAOYSA-N 571.165 4.051 10 10 KICE Cc1ccc(CNC(=O)[C@@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)c(O)c1Br 2352950937 ZZDUJUVRGFJFKG-RUZDIDTESA-N 518.452 4.249 10 10 KICE COc1ccc(N2CCN(c3cc(C)nc(SCc4cccc(C(=O)NC[C@H]5CCCO5)c4)n3)CC2)cc1 36053867 HIUCUXIAVYHSAJ-AREMUKBSSA-N 533.698 4.321 10 10 KICE CCCn1c(NCc2ccc(OC)cc2)c(/C=C2\SC(=S)N(CCCOC)C2=O)c(C)c(C#N)c1=O 40066834 OXUGUUFHTAKUDR-HMAPJEAMSA-N 526.684 4.297 10 10 KICE COc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC(C)C)ccc1OCc1ccc(F)cc1 104562205 TVKWMNAICNUVNU-AXWKRHODSA-N 530.603 4.061 10 10 KICE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3/SC(=S)N(CCS(=O)(=O)O)C3=O)c2)C1 1554268770 GYMFOQBPSYYWEZ-FWOCFWLASA-N 646.838 4.295 10 10 KICE COc1ccc(C(=O)Nc2cc(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)ccn2)cc1OC 1860506933 UDKVCFBZECWWRP-UHFFFAOYSA-N 507.502 4.379 10 10 KICE CCCCOc1ccc([C@H]2C(C(=O)N3CCN(c4ccc(OC)cc4)CC3)=C(N)Oc3c2c(CC)nn3C)cc1 1865243838 YJYYOJUHUXHUSE-AREMUKBSSA-N 545.684 4.213 10 10 KICE CN(C)c1ccc([C@@H](CNC(=O)COc2ccc3c4c(c(=O)oc3c2)CCCC4)N2CCCCC2)cc1 1865919704 CHQXTJKFPJTTIO-HHHXNRCGSA-N 503.643 4.460 10 10 KICE CCCC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(CCCOC)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867518285 NTNHIPNPWMSDPP-LOYHVIPDSA-N 605.780 4.017 10 10 KICE CSCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N([C@@H](Cc1ccccc1)C(=O)O)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867628228 YVNSZVVENVKOJR-XFCANUNOSA-N 699.874 4.239 10 10 KICE COc1ccc(Nc2nc(=NCCc3ccccc3)nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]2)cc1 1871561487 AKXQGRBEARTDNI-UHFFFAOYSA-N 511.630 4.036 10 10 KICE CCOC(=O)N1CCC(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCOC(C)C)C2=O)CC1 1873162337 QHUGTQJLAKGTKG-UHFFFAOYSA-N 536.673 4.200 10 10 KICE COc1ccc(CN2C(=O)C(=Cc3c(N4C[C@H](C)O[C@H](C)C4)nc4c(C)cccn4c3=O)SC2=S)cc1 2295979413 HYCJNHNIBLDQHY-HDICACEKSA-N 536.679 4.027 10 10 KICE Cc1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 2313540466 BJZMLUCOINJZGQ-UHFFFAOYSA-N 517.542 4.248 10 10 KICE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1OC 2313561123 VWARRPUOWVACSD-UHFFFAOYSA-N 571.165 4.127 10 10 KICE CCOc1c(Br)cc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc1OC 2313561195 YSTJHSCWBLCRRP-UHFFFAOYSA-N 540.233 4.450 10 10 KICE Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)c(C)n1-c1ccccc1 33563417 RKFLIVUXOJUKBK-BWAHOGKJSA-N 500.624 4.479 10 10 KICE CCCn1c(N2CCC(C)CC2)c(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c(C)c(C#N)c1=O 39990036 ILNUAARSDUZSCV-LZAZYHHXSA-N 500.690 4.055 10 10 KICE C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C(=O)/C(=C/c2cc(Br)ccc2O)SC1=S 47152405 SDMBUOFXXMELPZ-MQHRVFIMSA-N 508.375 4.291 10 10 KICE CCOC(=O)C1CCN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(Cc3ccc(F)cc3)C2=O)CC1 103117779 VHHRHNCWNYCNKT-RCCKNPSSSA-N 552.653 4.015 10 10 KICE O=C(O)CCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCCC3)c2)SC1=S 110556794 BFUKKVURLMDRGU-HAVVHWLPSA-N 582.729 4.390 10 10 KICE O=C1/C(=C\c2ccccc2)SC(=S)N1CCCC(=O)N(Cc1ccc(N2CCCCC2)o1)[C@@H]1CCS(=O)(=O)C1 207308046 DBNMHKIXVLOOIG-DNQXDJSBSA-N 587.789 4.467 10 10 KICE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2ccc(CC(=O)OC)cc2)[C@@H]1c1ccc(O)c(O)c1 526627225 TZTVVESWXSDRLP-RUZDIDTESA-N 505.523 4.278 10 10 KICE Cc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(OC(C)(C)C)cc1)=C(N)O2 1864009420 HAOGUHIGIQEBII-RUZDIDTESA-N 541.608 4.175 10 10 KICE Cc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cccs1)=C(N)O2 1864012021 PHRVHYBUFPVBHB-QHCPKHFHSA-N 537.041 4.419 10 10 KICE CCN(CC)CCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2CC(C)C)[C@@H]1c1ccc(O)c(O)c1 1864015584 SFATXILEXJJECX-DEOSSOPVSA-N 533.673 4.160 10 10 KICE CCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCC(C)C)=C(N)O2 1864018533 NBWTYGRMSXHBCY-QFIPXVFZSA-N 511.022 4.415 10 10 KICE CCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccc(Br)cc2)[C@@H]1c1ccc(O)c(O)c1 1864019988 SVXAJEFQRNZESY-FQEVSTJZSA-N 527.419 4.219 10 10 KICE Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C)CC1)=C(N)O2 1865025781 DQNHTNKMYPJSME-QHCPKHFHSA-N 526.996 4.397 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)c3nc(C4CC4)n4ccccc34)CC2)cc1 1868778717 RQTVDNVTBGAKRY-AREMUKBSSA-N 541.627 4.049 10 10 KICE CCCCn1cc(OCC(=O)Nc2cccc(C)c2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870730277 VHVWLFAIKSODRV-UHFFFAOYSA-N 518.658 4.305 10 10 KICE CCCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2ccc(F)c(Cl)c2)[nH]1 1871655387 GEEHCXWVRRJLIM-UHFFFAOYSA-N 500.022 4.189 10 10 KICE COc1ccccc1CNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCCN(C)C)C1=O 1873165988 ZFDMVHIXHYCFHX-UHFFFAOYSA-N 500.643 4.314 10 10 KICE O=C1NC(=O)N(C2CCCCC2)C(=O)C1=Cc1cn(CCOc2ccc3c(c2)OCO3)c2ccccc12 2297312863 QDCXOCHVNUBAMK-UHFFFAOYSA-N 501.539 4.244 10 10 KICE Cc1ccc2nc(N3C[C@@H](C)O[C@H](C)C3)c(C=C3SC(=S)N(Cc4ccc(F)cc4)C3=O)c(=O)n2c1 2314401444 YRNUXXNOALCXOH-IAGOWNOFSA-N 524.643 4.157 10 10 KICE Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccccc4)C3=O)c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)nc12 2314408616 RBTXOIOHDLJUIR-UHFFFAOYSA-N 611.749 4.455 10 10 KICE COc1ccc(N2CCN(S(=O)(=O)c3cc(C(=O)Nc4cccc(Cl)c4)ccc3F)CC2)cc1 9490795 CXANEQPUVCZFEX-UHFFFAOYSA-N 503.983 4.251 10 10 KICE COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)cc(OC)c1OCCOc1ccccc1Cl 101468608 PVQKPSZQMOCPND-XSFVSMFZSA-N 536.968 4.477 10 10 KICE N=C1/C(=C\c2ccc(OCc3ccccc3F)cc2)C(=O)N=C2SC(CC(=O)N3CCCCC3)=NN12 102464336 HNDZBFYSPWXNLY-PYAYSUMASA-N 505.575 4.426 10 10 KICE CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)ccc1OCC(=O)N1CCCCC1 206928126 UJQAPLMOOCCPHB-KQWNVCNZSA-N 539.679 4.331 10 10 KICE COc1ccc(CN2C(=O)/C(=C/c3nc(C#N)c(N4CCN(Cc5ccccc5)CC4)o3)SC2=S)cc1 213216499 JEZUDZOFPQQPNT-HAHDFKILSA-N 531.663 4.278 10 10 KICE CCOCCOC(=O)c1ccc(N2C(=O)C(O)=C(c3ccc(OC)cc3)[C@H]2c2ccc(O)c(O)c2)cc1 526565777 MJHPGDOQUCEPMB-RUZDIDTESA-N 505.523 4.357 10 10 KICE O=C(COc1cccc2c1C(=O)N(Cc1ccccc1)C2=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1865836605 VWLWZTJIXDEWKG-UHFFFAOYSA-N 516.509 4.276 10 10 KICE CC(C)N1C(=O)c2ccc(C(=O)N[C@H](Cc3ccccc3)C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O 1867436470 ZXINDWNFSZRSNZ-ZWXJPIIXSA-N 609.771 4.442 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)Cc3nc(-c4cccc(F)c4)oc3C)CC2)cc1 1868640130 CYSVFUCMBVBASS-LJAQVGFWSA-N 572.637 4.122 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)C[C@@H](c3ccccc3)C3CC3)CC2)cc1 1868681005 BAQGZKBCEHKORC-KYJUHHDHSA-N 527.665 4.361 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](CSCc3ccccc3)NC(=O)CCNc3ccccc3OC)CC2)cc1 1868798959 WECVEVUSGYGQNL-MUUNZHRXSA-N 562.736 4.273 10 10 KICE COc1ccc(N2CCN(Cc3cc(=O)c(OCCOC(C)C)cn3Cc3ccc(F)cc3)CC2)cc1 1870541892 SRWRZOFUZJZLHU-UHFFFAOYSA-N 509.622 4.170 10 10 KICE COC(=O)Cc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCCN(C)C)C2=O)cc1 1873425387 WMCZKKIEGLHMAU-UHFFFAOYSA-N 528.653 4.343 10 10 KICE Cc1cccn2c(=O)c(C=C3SC(=S)N(CCc4ccccc4)C3=O)c(NCCCn3ccnc3)nc12 2296697808 NWGCZXLMKMYPSV-UHFFFAOYSA-N 530.679 4.146 10 10 KICE COc1ccc(CCN2C(=O)C(=Cc3c(NCCCn4ccnc4)nc4c(C)cccn4c3=O)SC2=S)cc1 2296706774 QCPYENZVMNQEOA-UHFFFAOYSA-N 560.705 4.154 10 10 KICE Cc1cc(Oc2nc3c(C)cccn3c(=O)c2C=C2SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)ccc1Cl 2314506990 HVMCDRDDOXDTHT-HNNXBMFYSA-N 562.094 4.145 10 10 KICE COc1ccc(CN2C(=O)/C(=C\c3c(NC[C@H](O)c4ccccc4)nc4ccccn4c3=O)SC2=S)cc1 102687531 DNSWNGGAYTVKRP-GQBVICOWSA-N 544.658 4.250 10 10 KICE Cc1ccccc1/C=C1/SC(=S)N(CCCCCC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1=O 210748017 YYNLCKGSAPEULM-HMMYKYKNSA-N 503.671 4.043 10 10 KICE COC(=O)c1ccc([C@@H]2N[C@](Cc3c[nH]c4ccccc34)(C(=O)O)[C@H]3C(=O)N(Cc4ccc5c(c4)C(=O)c4ccccc4C5=O)C(=O)[C@H]32)cc1 247807626 ASHDHOVQRSWQMQ-OFVGIFNWSA-N 667.674 4.242 10 10 KICE Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccnc1)=C(N)O2 1864007963 YDKMGOZDPDGBIK-QFIPXVFZSA-N 538.391 4.305 10 10 KICE CCCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(C(F)(F)F)c1)=C(N)O2 1864014128 NYOVOZMCGBBRAY-FQEVSTJZSA-N 516.520 4.297 10 10 KICE NC1=C(C(=O)NC2CCCCC2)[C@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3ccccn3)c2O1 1864016535 RPVQZORADZRSEE-XMMPIXPASA-N 523.593 4.489 10 10 KICE CCc1nn(CC(C)C)c2c1[C@H](c1ccccc1OC)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865593597 ZHJNMECCIIIQOQ-SANMLTNESA-N 545.684 4.162 10 10 KICE COc1ccc(OC)c(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCN(C)C)C2=O)c1 1873421167 KCDNGEWEFKPFSC-UHFFFAOYSA-N 502.615 4.255 10 10 KICE COc1ccccc1Oc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2ccc(N3C[C@H]4CC[C@H]3C4)cc2)cc1 1892227039 HHBKWMAMEXOMSU-SSPYTLHUSA-N 535.666 4.459 10 10 KICE O=C(CN1C(=O)C(=C2SC(=S)N(C[C@H]3CCCO3)C2=O)c2ccccc21)Nc1ccc(Cl)cc1 2296539398 UMGXXXQUGDVNNG-MRXNPFEDSA-N 514.028 4.076 10 10 KICE CS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(OCCSc4ccc(Cl)cc4)cc3)C(=O)N=C2S1 2297499362 WDWPPMPLEZWNCD-UHFFFAOYSA-N 521.045 4.132 10 10 KICE CN1C(=O)C(=Cc2cn(CCOc3ccc(F)cc3)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 2297508763 HMLCWUFAACQLFN-UHFFFAOYSA-N 561.635 4.397 10 10 KICE COC(=O)c1sc(NC(=O)COc2ccc(C=C3SC(=S)N(CC(C)C)C3=O)cc2)nc1C 2331594910 QOLMKGCFLWODEB-UHFFFAOYSA-N 505.643 4.113 10 10 KICE CCCC[C@H](CC)CN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2N2CCN(CC)CC2)SC1=S 33811955 RVWWNESSHUBFAH-UQRWVXEISA-N 515.749 4.125 10 10 KICE Cc1ccc(S(=O)(=O)N2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccc(N(C)C)cc2)cc1 59074293 QVUIEJYHAVPTMV-VWLOTQADSA-N 508.600 4.205 10 10 KICE Cc1c(N2C(=O)/C(=C\c3c(N4CCCC[C@H]4C)nc4ccccn4c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C 100885968 SMFQFFRQAYNMQR-YMNYDYPGSA-N 572.716 4.277 10 10 KICE C[C@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3/SC(=S)NC3=O)c2)C1 213224757 QPEQYPWGLISCHI-NIZGNDASSA-N 524.693 4.449 10 10 KICE COc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)C(=O)NC2=S)c(OC)c1 1084565333 KIHDICFOAKUPLI-HMAPJEAMSA-N 504.612 4.009 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)C(c3ccccc3)c3ccccc3)CC2)cc1 1862121028 JCQORNNNBNUJKA-AREMUKBSSA-N 501.652 4.077 10 10 KICE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN(C)C)=C(N)O2 1864010209 KDBAZOANCCTWKH-QHCPKHFHSA-N 540.064 4.042 10 10 KICE CCOCCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2)[C@H]1c1ccc(O)c(O)c1 1864015752 DZQJPPFWKOVDRS-RUZDIDTESA-N 540.620 4.247 10 10 KICE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(c3cccc(C)c3)CC1)=C(N)O2 1865030137 DEWJQMLMWHHKNQ-SANMLTNESA-N 545.684 4.255 10 10 KICE COc1ccccc1C(=O)N[C@H](Cc1ccc(OC(C)=O)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867916496 RHXGBAYBKNRMGT-JSOSNVBQSA-N 586.733 4.371 10 10 KICE CC[C@@](C)(NC(=O)Cc1nc(-c2cccc(C)c2)oc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868638236 GDSFAMWYXYMFOP-GDLZYMKVSA-N 504.631 4.143 10 10 KICE COc1cc(C=C2SC(=S)N(CCCCC(=O)O)C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 2042434270 MSYMJUVDHOZRKA-UHFFFAOYSA-N 521.638 4.227 10 10 KICE COc1ccc(N2CCN(c3nc4ccccn4c(=O)c3C=C3SC(=S)N(CCc4ccccc4)C3=O)CC2)cc1 2296544427 CJESJCXMEJVDBX-UHFFFAOYSA-N 583.739 4.474 10 10 KICE C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C3SC(=S)N(C)C3=O)c2)C[C@H](C)O1 2296846392 HWPPJWYZIJNTIA-ROUUACIJSA-N 554.719 4.168 10 10 KICE COc1cc(C=C2SC(=S)N(Cc3ccco3)C2=O)ccc1OCC(=O)Oc1ccc(C=O)cc1 2314397341 CNTQHNNMSAGIOD-UHFFFAOYSA-N 509.561 4.487 10 10 KICE COc1cc(-c2cc(-c3ccccc3)nc(SCC(=O)Nc3c[n+](N4CCCCC4)no3)c2C#N)cc(OC)c1OC 105638274 LIRBOYUPUXYXGA-UHFFFAOYSA-O 587.682 4.441 10 10 KICE CCCCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(c2c(C)n(C)n(-c3ccccc3)c2=O)C1=O 110077369 FVFKIRREYCLDAZ-PGMHBOJBSA-N 560.705 4.419 10 10 KICE C[C@@H]1C[C@H]1c1ccc(CN(C(=O)CCN2C(=O)/C(=C\c3cccs3)SC2=S)[C@H]2CCS(=O)(=O)C2)o1 1615296219 RQHFZRIZNZIEDL-NNEMNZPASA-N 550.749 4.272 10 10 KICE CC(C)NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1864016071 ZNHCSOPYASHDMX-QGZVFWFLSA-N 522.911 4.234 10 10 KICE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCc1ccc(F)cc1)[C@H]2c1ccc(O)c(O)c1 1864023140 USYYCUKLXAUBDX-IBGZPJMESA-N 534.510 4.162 10 10 KICE CC(C)(NC(=O)c1cc(C2CC2)n2nc(C3CC3)cc2n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867176210 NFBWEIHUFMRWRK-UHFFFAOYSA-N 533.588 4.407 10 10 KICE CC[C@](C)(NC(=O)Cc1nc(-c2ccccc2Cl)oc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868647162 HQLZOEYRJZOVKU-NDEPHWFRSA-N 525.049 4.488 10 10 KICE COc1ccc(N2CCN(Cc3cc(=O)c(OCCOC(C)C)cn3Cc3ccc(C)cc3)CC2)cc1 1870551551 OXRPXVVNBNPXJP-UHFFFAOYSA-N 505.659 4.340 10 10 KICE O=C(CN1C(=O)/C(=C2/SC(=S)N(C3CCCCC3)C2=O)c2ccccc21)NCCc1ccccc1 2533514 CDFNITPWLTUYTB-WCWDXBQESA-N 505.665 4.296 10 10 KICE O=C1/C(=C\c2c(NC[C@@H](O)c3ccccc3)nc3ccccn3c2=O)SC(=S)N1C1CCCCC1 33918316 JXYRERDXHLJMHX-LNKKFFRNSA-N 506.653 4.374 10 10 KICE COc1ccc(N2CCN([C@@H](CNS(=O)(=O)c3ccc(C(F)(F)F)cc3)c3ccco3)CC2)cc1 38619445 TYPWSLJTYDRMGH-QFIPXVFZSA-N 509.550 4.149 10 10 KICE COc1cc(/C=C2/C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)cc(Cl)c1OCc1ccccc1 100321251 GGIFUHXPUUTBIV-CIAFOILYSA-N 511.987 4.381 10 10 KICE COc1ccccc1OCCOc1ccc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc1OC 102470973 IKVBVDDEKXJZIE-WJBCKELLSA-N 529.578 4.224 10 10 KICE CCOc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc1OC 103859778 GLBWYHVFCMZAET-AUWJEWJLSA-N 524.165 4.285 10 10 KICE CCCn1c(NCc2ccc3c(c2)OCO3)c(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c(C)c(C#N)c1=O 143311397 OSLJUBULQMXQBT-TXAUKBGOSA-N 552.678 4.159 10 10 KICE CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccccc4C(=O)O)c3C)C2=O)c1 1084578527 YYPSIBVHXGYAKR-STZFKDTASA-N 517.538 4.256 10 10 KICE O=C(O)[C@@H](CO)N1C(=O)/C(=C\c2cn(CCOc3ccc(Cl)cc3)c3ccccc23)SC1=S 1858595838 JDWCWICWVPZAHE-YBCYLVPRSA-N 503.001 4.020 10 10 KICE Cc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCC(C)C)=C(N)O2 1864008283 HLELLWQNRJHGOH-OAQYLSRUSA-N 527.419 4.211 10 10 KICE NC1=C(C(=O)N2CCCCC2)[C@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(Cc3ccccc3F)c2O1 1865034101 PHUUQYPREQASSM-LJQANCHMSA-N 532.494 4.208 10 10 KICE CN(C)c1ccc([C@H](CNC(=O)C[C@@H](CNC(=O)C(F)(F)F)c2ccccc2)N2CCCCC2)cc1 1865983838 VSQANRCPHHYKGN-UPVQGACJSA-N 504.597 4.248 10 10 KICE CC[C@@H](NC(=O)Cc1nc(-c2ccc3c(c2)OCO3)oc1C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867191746 AVNBBPCZAPGIOV-OAQYLSRUSA-N 551.555 4.230 10 10 KICE O=C(N[C@H](Cc1ccc(F)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(Cl)nn1 1867270112 IOBCFQWNPYRBIM-JOCHJYFZSA-N 528.927 4.024 10 10 KICE CC[C@](C)(NC(=O)Cc1nc(-c2cccc(C)c2)oc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868638237 GDSFAMWYXYMFOP-LJAQVGFWSA-N 504.631 4.143 10 10 KICE N=c1[nH]nc(COc2cn(C[C@H]3CCCO3)c(CNc3ccc(Nc4ccccc4)cc3)cc2=O)s1 1871025961 IRPQDQUDXAXZGZ-JOCHJYFZSA-N 504.616 4.226 10 10 KICE COc1ccc(CN2C(=O)C(NC[C@H]3CCCO3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1OC 1873166312 LFJREKBMAAEIIH-XMMPIXPASA-N 515.610 4.160 10 10 KICE COc1ccc(OCCOc2c(Cl)cc(C=C3C(=N)N4N=C(C)SC4=NC3=O)cc2OC)cc1 2293556380 VVVYHDCBDDCPDK-UHFFFAOYSA-N 500.964 4.454 10 10 KICE O=C1C(=Cc2c(NCCCn3ccnc3)nc3ccccn3c2=O)SC(=S)N1Cc1ccccc1Cl 2296697719 DBBNZVZQHYGUEP-UHFFFAOYSA-N 537.070 4.448 10 10 KICE COc1ccc(CCN2C(=O)C(=Cc3c(N4CCC(C)CC4)nc4ccccn4c3=O)SC2=S)cc1 2297460567 OWHUAHAPDQDXFK-UHFFFAOYSA-N 520.680 4.383 10 10 KICE O=C(CN1C(=O)C(=C2SC(=S)NC2=O)c2cc(Br)ccc21)Nc1cccc(C(F)(F)F)c1 2314951955 OMEAPCQKCNNAIR-UHFFFAOYSA-N 542.358 4.312 10 10 KICE CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c4cc(OC)ccc4n3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 105537510 SVFPKJHOYAYXDH-KEQCBNTKSA-N 563.079 4.075 10 10 KICE COc1ccc(CCN2C(=O)/C(=C/c3c(NC[C@H](O)c4ccccc4)nc4ccccn4c3=O)SC2=S)cc1OC 110555639 FPHFYRWHOVQOOF-BRZNVLFUSA-N 588.711 4.301 10 10 KICE CCOC(=O)COc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1I 1084080084 VOAYWKDFOFDUAY-AUWJEWJLSA-N 678.071 4.425 10 10 KICE C[C@@H]1C[C@H]1c1ccc(CN(C(=O)CCN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)[C@@H]2CCS(=O)(=O)C2)o1 1615296212 RBINRFGENLDREK-VOBBWUNBSA-N 562.710 4.349 10 10 KICE CCN(CC)CCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1864007155 GXDSKYMJFAYYIN-QFIPXVFZSA-N 546.455 4.051 10 10 KICE Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC(C)C)=C(N)O2 1864011036 DAEVIBOFYILZEJ-QFIPXVFZSA-N 547.439 4.194 10 10 KICE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN(C)C)=C(N)O2 1864012883 LKINDUBIGLYUJF-SANMLTNESA-N 547.700 4.065 10 10 KICE CCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(F)cc1)=C(N)O2 1864018140 DEKUKYZLQOMLJP-RUZDIDTESA-N 546.574 4.237 10 10 KICE Cc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@H](C)C1)=C(N)O2 1865029695 TVARQLFWERAMOS-ZDXGUKGBSA-N 526.593 4.076 10 10 KICE C[C@@H]1CCCN(C(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3Cc3ccc(F)cc3)[C@@H]2c2ccc(O)c(O)c2)C1 1865033642 FLVXOBLZOHHGAM-VLIAUNLRSA-N 546.521 4.454 10 10 KICE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)N2CCCC2)=C(N)O3)cc1 1865033793 IDGKVQZMHAFHSY-XMMPIXPASA-N 524.577 4.276 10 10 KICE CC(C)C[C@@H](CC(=O)N[C@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(F)cc1 1867111400 YYDPVPAZHQDVKX-UQBPGWFLSA-N 516.569 4.237 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)c3cc(C4CC4)n4nc(C(C)(C)C)cc4n3)CC2)cc1 1868998687 FASOMUOIMBYLQG-HSZRJFAPSA-N 564.756 4.113 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)c3cc(C4CC4)n4nc(-c5ccccc5Cl)cc4n3)CC2)cc1 1869005812 KZRYHHGOFGTLTC-IBGZPJMESA-N 559.070 4.403 10 10 KICE COc1ccc(N2CCN(c3cc(N4CCO[C@@H](c5cccnc5)C4)nc(-c4cccc(OC)c4)n3)CC2)cc1 1869314711 RLKZPXPKNCDJQZ-MUUNZHRXSA-N 538.652 4.460 10 10 KICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)c3ccc(F)c(F)c3)CC2)cc1 1874643137 TVSNBRIJAHWWHT-HHHXNRCGSA-N 518.564 4.145 10 10 KICE CCOc1cc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCCSc1ccc(C)cc1 2297346058 ZPJKQMFMFRXVSO-UHFFFAOYSA-N 544.680 4.186 10 10 KICE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(NCC(C)C)nc12 1901473 KDJCWOVWTGKSEF-KGENOOAVSA-N 560.705 4.274 10 10 KICE CCOc1cc(/C=C2/SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)ccc1OCCC(=O)O 16919685 KEROJPKJXIZIFC-PXLXIMEGSA-N 517.625 4.400 10 10 KICE COc1cc(/C=C2\C(=N)N3N=C(C)SC3=NC2=O)cc(Cl)c1OCCOc1ccc(NC(C)=O)cc1 33356350 VLOJPBCAIBFLQO-FMFPOINMSA-N 527.990 4.404 10 10 KICE NC1=C(C(=O)NCc2cccnc2)[C@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3ccccc3)c2O1 1864014322 RXEHLDVDIBZECI-RUZDIDTESA-N 531.572 4.357 10 10 KICE CC(C)NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)cc2)[C@@H]1c1ccc(O)c(O)c1 1864015436 REOYTYANSZAQIW-KRWDZBQOSA-N 522.911 4.234 10 10 KICE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@@H](C)C1)=C(N)O2 1865029568 QMBOLNJVUNQVKU-ATLLOTDBSA-N 532.641 4.444 10 10 KICE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C(=O)N2CCCC2)[C@@H]3c2ccc(O)c(O)c2)cc1 1865031689 MEVAMVKIVINKDM-XMMPIXPASA-N 524.577 4.276 10 10 KICE O=C(C[C@H](c1ccccc1)c1cccc(F)c1)N[C@@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866772452 NSFPWXHRARHVBA-VPUSJEBWSA-N 536.559 4.239 10 10 KICE CC[C@@](C)(NC(=O)Cc1ccc2nc(O)c(C)cc2c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866918714 RXOVNCUBXYHYIN-WJOKGBTCSA-N 521.573 4.490 10 10 KICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3nc(C4CC4)n4ccccc34)c3ccccc3)CC2)cc1 1868778375 KHVYUTUPBUVARJ-AREMUKBSSA-N 509.610 4.040 10 10 KICE CCCCCCn1cc(OCC(=O)OCC(C)C)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870425031 QMWWXKBZVYMHMC-UHFFFAOYSA-N 513.679 4.337 10 10 KICE O=C1/C(=C\c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)SC(=S)N1CCS(=O)(=O)O 33601079 SHZZKCAQNALCPU-DEDYPNTBSA-N 511.606 4.375 10 10 KICE CCc1nnc(NC(=O)COc2ccc(/C=C3\SC(=S)N(Cc4ccco4)C3=O)cc2OC)s1 39793596 YWELISBZMFWLET-YVLHZVERSA-N 516.626 4.121 10 10 KICE COC(=O)c1ccc([C@@H]2N[C@](Cc3c[nH]c4ccccc34)(C(=O)O)[C@@H]3C(=O)N(Cc4ccc5c(c4)C(=O)c4ccccc4C5=O)C(=O)[C@H]23)cc1 150539959 ASHDHOVQRSWQMQ-PNCMYRLBSA-N 667.674 4.242 10 10 KICE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CCCc4ccccc4)C3=O)c(N3C[C@H](C)O[C@@H](C)C3)nc12 229163030 PWTMQXXGVNQROC-HWZSRVGFSA-N 534.707 4.451 10 10 KICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(I)c(OC)c(I)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 1084061965 GUEIDDACJSQGPT-JOCHJYFZSA-N 729.378 4.082 10 10 KICE O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cc(Br)c(N2CCCC2)o1 1084236367 CVOBEQRBCIGGEJ-ZROIWOOFSA-N 525.222 4.236 10 10 KICE Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(CNC(=O)C(c3ccccc3)c3ccccc3)cc2)cc1 1858956209 NSWSAJXNIAQJIG-UHFFFAOYSA-N 515.591 4.194 10 10 KICE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1ccco1 1865311774 HGWGOFHPXVUZLZ-DEOSSOPVSA-N 525.609 4.215 10 10 KICE COC(=O)c1c(NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)sc(C)c1-c1ccc(Br)cc1 1866026505 PGHJCWJMZSVPEG-UHFFFAOYSA-N 558.366 4.416 10 10 KICE Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(NCc3ccco3)nc12 2296716927 GBRRMZMVDLZJKW-UHFFFAOYSA-N 532.603 4.338 10 10 KICE