smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Oc1ccc2c3c1O[C@H]1[C@H](OCc4cccc(N=C=S)c4)CC[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@@]314 100729885 HUGRODXDKPWVHV-UXWAOUJDSA-N 490.625 4.276 50 1 JIGF COC(=O)C[C@@H](O)[C@H]1OCC/C(=C\COCc2ccccc2)[C@@H]1O[Si](C)(C)C(C)(C)C 194832287 NZCHRBWJTJGDAI-CXUUVUIJSA-N 450.648 4.233 50 1 JIGF COc1cc(/C=N/NC(=O)c2ccc(O)c(N)c2)cc(OC)c1OCc1ccc(C(C)C)cc1 13439103 ZURYLTOYAKOUDW-CCVNUDIWSA-N 463.534 4.458 50 1 JIGF CCOC(=O)/C(C#N)=C\Nc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 587885724 CAJCOMCYZSBIID-SDXDJHTJSA-N 456.329 4.086 50 1 JIGF Cn1cc([C@@]2(CCl)c3scnc3C[C@H](C(=O)O)N2C(=O)OC(C)(C)C)c2ccccc21 963148234 PGZOCFMRDAMCMG-VGSWGCGISA-N 461.971 4.364 50 1 JIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(CN2C(=O)c3ccccc3C2=O)N1 587671682 ADBUUZBOAMEBMI-GIPWTMENSA-N 496.174 4.009 50 1 JIGF C[C@H](Cl)[C@]1(c2ccc3c(c2)NC(=O)CO3)N[C@H](C)Cc2cc(Br)c(F)cc21 587689408 SDMXZPMBJGNJQT-QZXWKGOOSA-N 453.739 4.324 50 1 JIGF CN(C)CCC[C@]1(c2ccc(F)cc2)OCc2cc(C(=O)NNC(=O)c3ccc(F)cc3)ccc21 1857758926 XFTUTUMJPJVUQC-HHHXNRCGSA-N 479.527 4.155 50 1 JIGF CN1[C@H]2CC[C@H]1[C@@H](C(=O)OCCc1ccc(N=C=S)cc1)[C@@H](OC(=O)c1ccccc1)C2 100646785 YFNOQEKRUIFWNP-CWBXHPNXSA-N 450.560 4.215 50 1 JIGF CS(=O)(=O)c1ccc(-c2[nH]c3ccccc3c2[C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1 103208293 ABHFXOJFFVMHIR-NRFANRHFSA-N 459.527 4.053 50 1 JIGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(C1CCN(C(=O)OC(C)(C)C)CC1)O2 587376410 XMMOMBICJALDBQ-OAQYLSRUSA-N 453.377 4.323 50 1 JIGF C[C@H](CSSCCN(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC2(CCCCC2)CC1 618017029 FDKWZQLCLTWURF-UXHICEINSA-N 455.734 4.129 50 1 JIGF COc1ccc(C(=O)N(/N=C/c2c[nH]nc2-c2ccc(Cl)cc2)C(=O)c2ccncc2)cc1 653778087 VESHNDFPKDVMNF-RWPZCVJISA-N 459.893 4.450 50 1 JIGF Cc1ccnc([C@]2(CBr)N[C@H](C(=O)O)Cc3ccc(Oc4ccc(O)cc4)cc32)c1 962925997 SAVJHMOBWBICBZ-NZQKXSOJSA-N 469.335 4.125 50 1 JIGF COc1ccc(C(=O)[C@@H](Br)[C@@H](SCCN)c2ccc(OC)c(OC)c2)c(OC)c1 1772647268 UZNWBYMIXUPFMN-CTNGQTDRSA-N 484.412 4.100 50 1 JIGF CCN1C(=O)[C@@]2(C(C#N)=C(N)Oc3cc4oc(-c5ccccc5)cc(=O)c4c(O)c32)c2cccc(C)c21 1857576015 VRWCWJPTPYYPMF-GDLZYMKVSA-N 491.503 4.213 50 1 JIGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCC(=O)Nc3cccc([S@@](C)=O)c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 73388609 PKBIJBJKFNUHDW-XRWGMKSCSA-N 477.623 4.393 50 1 JIGF Cc1cc(C)c2c(NC(=O)CCl)c([C@@]3(C)N[C@H](C(=O)O)Cc4cc(F)ccc43)sc2n1 962899024 GUTCFXPQNKFCOE-NYHFZMIOSA-N 461.946 4.092 50 1 JIGF C=C(NNC(=O)[C@@H](C)Oc1ccccc1Cl)c1cccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)c1 28826003 BHHAGUYZEJPNET-UXPWSPDFSA-N 485.968 4.229 50 1 JIGF Cc1ncc([N+](=O)[O-])n1C/C(=N/NC(=O)c1ccc(Cl)cc1)c1ccc(Br)cc1 103283927 CXKCTOXFNFRIPX-QJOMJCCJSA-N 476.718 4.350 50 1 JIGF COc1cc2c3c(c1)O[C@](CBr)(c1ccc([N+](=O)[O-])cc1Br)[C@@H](C2)C3=O 587415416 RWJPPVXIDAXXFO-SCLBCKFNSA-N 483.112 4.404 50 1 JIGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(CN2C(=O)c3ccccc3C2=O)N1 587672823 IITKOYYNBVINGW-PRWKNARSSA-N 496.174 4.009 50 1 JIGF Cc1ccc(S(=O)(=O)C[C@]2(CCl)c3cccc(F)c3CCN2[C@@H]2CCSC2)cc1 962698050 CQTBBGGOYDLURD-VGOFRKELSA-N 454.032 4.406 50 1 JIGF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@](CCCl)(c2ccc(O)cc2O)N1 962926751 MLKZGHGARFAXSC-URXFXBBRSA-N 455.894 4.067 50 1 JIGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](O[C@@H](CC(=O)O)c3ccc([N+](=O)[O-])cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]23OO4 43845930 UVWPFYQIBWCYOU-FTIQXOHBSA-N 477.510 4.335 50 1 JIGF Cc1ccccc1N1C(=O)[C@@H](Cl)[C@@]12C(=O)Nc1c(Br)cc(Br)cc12 103222484 XACVYHKHKIKAHI-PBHICJAKSA-N 470.548 4.322 50 1 JIGF COc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)ccc1OCCN1CCCC1 299858958 FIDCSAAIHNKBJM-ZTKZIYFRSA-N 486.572 4.186 50 1 JIGF CS(=O)(=O)c1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587607910 OQKZWHKETMZFQC-SIKLNZKXSA-N 489.343 4.048 50 1 JIGF CCOC(=O)C(C)(C)[C@@]1(CBr)N[C@@H](C)Cc2cc(Br)c(F)cc21 587674103 SUMHQQWEOJUIJV-BTDLBPIBSA-N 451.174 4.302 50 1 JIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H](Cc2ccccc2)NC(=O)CCl)N1 587685373 PTWSRRYGMOLHPD-GQNMWPQZSA-N 453.783 4.304 50 1 JIGF C=C[C@]1(C)[C@H](Cl)C[C@@H]2C(C)(C)c3cccc4c3[C@]3(O)C(=N4)C(C)(C)[C@@H]4O[C@@H]4[C@]1(N=C)[C@]23O 2356517053 VDAJARRRXROUOD-PEGHISFUSA-N 454.998 4.049 50 1 JIGF CCN(CC)C(=O)COc1ccc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)c2ccccc12 13439019 PIHQYWJPYQXPKD-VULFUBBASA-N 453.926 4.210 50 1 JIGF CCN(CC)c1ccc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)c(O)c1 95568858 XMXCBNDQVIVGMC-NLRVBDNBSA-N 454.571 4.373 50 1 JIGF NC(=O)CCc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587324797 AAKNJODVVWWOCD-NOZRDPDXSA-N 453.897 4.442 50 1 JIGF COc1cc2c3c(c1)O[C@](CCCl)(c1ccn(S(=O)(=O)c4ccccc4)c1)[C@@H](C2)C3=O 587449487 OYKFPPYQFSFISB-WMZHIEFXSA-N 457.935 4.006 50 1 JIGF O=C(c1ccc(Oc2ncccc2C(=O)NCCBr)cc1)c1nc2ccccc2[nH]1 169703159 IWAXRMFLUMFUMJ-UHFFFAOYSA-N 465.307 4.106 50 1 JIGF COC(=O)C(=C1Nc2ccccc2N1)[C@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21 587689580 URMGYZJFGADNOJ-WSVYEEACSA-N 480.765 4.479 50 1 JIGF CCOC(=O)c1c(C)[nH]c([C@]2([C@@H](C)Cl)N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c1C 962968370 OKJXYYLMUVAVMB-JTWCOAEXSA-N 475.319 4.210 50 1 JIGF CN1C(=O)C[C@H]2CN[C@@](CBr)(c3ccc(Br)cc3F)c3cccc1c32 963021629 GZWHOVJHGBXUIW-WLRWDXFRSA-N 468.164 4.280 50 1 JIGF CC1(C)OB(c2ccc3c4c2N(CC4)[C@@]32C(C=O)=COc3c(Cl)cc(Cl)cc32)OC1(C)C 963160597 SCRGOHXMEGSXOA-DEOSSOPVSA-N 470.161 4.388 50 1 JIGF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@](CBr)(c2cccc(Br)c2)N1 963231851 RNLGGWMVTHUSFX-QUCCMNQESA-N 476.168 4.235 50 1 JIGF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(c1ccccc1)[C@H](Cl)C(=O)Nc1ccc2c(c1)OCO2 963614925 ZTZPPECBSDEPJX-XMILDSSWSA-N 494.975 4.456 50 1 JIGF O=C(N/N=C/c1ccccc1O)c1ccc(Nc2ccccc2C(=O)N/N=C/c2ccccc2O)cc1 64521341 DMQASXNJLCTWRS-YAGSLNJISA-N 493.523 4.369 50 1 JIGF CCc1cc([N+](=O)[O-])c(OC)c([C@]2(CBr)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587415970 ZOFYXYMUVXEKHR-SPLOXXLWSA-N 462.296 4.212 50 1 JIGF COC(=O)c1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587615374 XHKKBVQNONMZQB-UTKZUKDTSA-N 475.316 4.492 50 1 JIGF C[C@H](Br)c1nc2ccc(C(=O)Nc3ccc(CN4CCN(C)CC4)cc3)cc2[nH]1 587008085 GZAMOUBQRDRZIC-HNNXBMFYSA-N 456.388 4.019 50 1 JIGF COC(=O)c1cc([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1O 587673642 OXBVBDDTBWYKBR-GIGQVBGESA-N 487.163 4.253 50 1 JIGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(N2CC[C@H](Br)C2=O)c1 587891138 PJHCZCOQVMZKHX-SFHVURJKSA-N 480.189 4.204 50 1 JIGF COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42C=C[C@@]1(OC)[C@H]([C@@H](C)N=C=S)C2 84614592 CBPASLHMRDUOQC-XFEIUQOXSA-N 464.631 4.187 50 1 JIGF CC(C)(C)[Si](C)(C)O[C@@H]1COC(=O)/C1=C/C[C@@H]1[C@]2(CC[C@H]3[C@@]1(C)CC[C@@H](O)[C@@]3(C)CO)CO2 1857632946 QEVMEDXXEZKAFO-SSGWBGPFSA-N 480.718 4.205 50 1 JIGF Cc1ccc(C(=O)NNC(=O)c2ccc3c(c2)CO[C@]3(CCCN(C)C)c2ccc(F)cc2)cc1 1857640010 XXYGHNXBCRFKDK-MUUNZHRXSA-N 475.564 4.325 50 1 JIGF COc1cc(NC(=O)c2ccc(Cl)c(NC(=O)[C@H](C)Br)c2)cc(OC)c1OC 28954509 PPOLWHOLXWHVKY-JTQLQIEISA-N 471.735 4.340 50 1 JIGF Cc1c(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)noc1[C@@H]1C[C@H](Br)[C@@H](C)CO1 1772617090 SGMDUSNPYFXLQE-ZLIFDBKOSA-N 495.418 4.410 50 1 JIGF COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N/N=C2/SCC(=O)N2c2ccccc2)cc1 1857534077 OZVKGKXLWBFLBN-BYCLXTJYSA-N 483.553 4.329 50 1 JIGF CC(C)[C@@H]1C=C[C@H](OO)[C@@H]2[C@@H]3[C@](C)(O)[C@H](O)C[C@H](Br)[C@]3(C)CC[C@@]12CBr 2356604234 SLASZMTUABGCGQ-YEIOBVLGSA-N 496.280 4.380 50 1 JIGF O=[N+]([O-])c1ccc(NCCCNC2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)c2nonc12 621430787 DHAIFGBKKCMGLC-UHFFFAOYSA-N 499.568 4.292 50 1 JIGF CC[C@H](Br)[C@H]1C[C@H](Br)[C@H](O)C[C@H]2O[C@H](C=C=CBr)C[C@H]2O1 145432098 WFSXIOIRHBENDQ-XQAAWFLNSA-N 489.042 4.053 50 1 JIGF Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1[C@@H]1CCS(=O)(=O)C1 587532820 SRZIFOUQKBXCNH-KOSHJBKYSA-N 462.011 4.443 50 1 JIGF CN1C(=O)[C@]23C[C@H]4c5ccccc5N[C@H]4N2C(=O)[C@]1(CO[Si](C)(C)C(C)(C)C)SS3 170182243 JWECYLCXHJMUJF-XCODNNPBSA-N 463.701 4.036 50 1 JIGF CCN(c1ccc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1)S(C)(=O)=O 587842294 UDEHLSGJSRIPCH-XCLFUZPHSA-N 489.838 4.391 50 1 JIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(CCN2C(=O)c3ccccc3C2=O)N1 587687691 HHOMKCXJYSRTNJ-GTJPDFRWSA-N 465.750 4.243 50 1 JIGF C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](OCC(=O)N5CCOCC5)CC[C@@]43C)[C@@H]1C[C@@H](Br)C2=O 1911582391 DXLXCYXUOAZIJR-PDQZLYSZSA-N 496.486 4.216 50 1 JIGF C=C(NNC(=O)[C@@H](C)Oc1ccccc1Cl)c1cccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)c1 28826001 BHHAGUYZEJPNET-AHRSYUTCSA-N 485.968 4.229 50 1 JIGF CCOc1cc([C@@H]2C(C#N)=C(C)NC3=C2[C@]2(CC(C)(C)C3)c3c(cnn3C)CCN2C)ccc1O 963956146 VEPSXHPVZQNXFN-UFHPHHKVSA-N 473.621 4.466 50 1 JIGF C[C@@H]1Cc2c3c(c(Cl)c(O)c2C(=O)O1)O[C@]1(C)[C@H](O)C[C@@H]2C(C)(C)C(=O)[C@H](Cl)C[C@@]2(C)[C@H]1C3 2356706281 AKANQXGAUVUBPO-MICHNZIBSA-N 497.415 4.450 50 1 JIGF Cc1ccc([S@](=O)C2=C(c3ccccn3)OC(N)=C(C#N)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 217405536 FPGVQAYMNBCTMK-VTLMBFNKSA-N 458.499 4.283 50 1 JIGF O=C(N/N=C/c1ccc(O)c(F)c1)Nc1ccc(-c2nc(N3CCOCC3)c3sccc3n2)cc1 299835797 LVCLZIUFNHGWKX-VULFUBBASA-N 492.536 4.195 50 1 JIGF Cn1c(=O)oc2cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc21 587328008 SIEQWCOHQJUKMA-URXFXBBRSA-N 453.853 4.469 50 1 JIGF COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)n(NC(=O)c4ccccc4)c1C)[C@@H](C2)C3=O 587418765 VFIKFBBLRGOVSD-NBGIEHNGSA-N 450.922 4.379 50 1 JIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2c[nH]c(C(=O)N3CCCC3)c2)N1 587685311 PQRCEYHXSUNMPC-MPBGBICISA-N 454.771 4.169 50 1 JIGF COC(=O)C(=C1Nc2ccccc2N1)[C@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 587689577 URMGYZJFGADNOJ-WIUDPPPLSA-N 480.765 4.479 50 1 JIGF CC(C)(C)OC(=O)N1CC[C@@H]1[C@]1(CCl)N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963191117 YPWDDNPETHCPPM-QUJCMNEKSA-N 483.314 4.401 50 1 JIGF Cc1ccc([C@@H]2C(C#N)=C(N)OC(c3ccccn3)=C2[S@@](=O)c2ccc([N+](=O)[O-])cc2)cc1 1857761343 ABBPLEQTDNOEFA-PPGPUPIYSA-N 458.499 4.283 50 1 JIGF CCCCCC[C@@H](C)/C=C(C)/C=C/C(=O)N[C@H]1C[C@@]2(O)C=C(Cl)C(=O)[C@@H](Cl)[C@H]2O[C@@H]1OC 29041933 BZCAAMLTKGWGQU-NVMAJLLBSA-N 488.452 4.386 50 1 JIGF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@](CBr)(c2cncc(F)c2)N1 963176573 ISMSNWXVPSTDME-MLGOLLRUSA-N 467.644 4.130 50 1 JIGF O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)N/N=C/c1ccc(Br)cc1 98082864 RCLJJWYCDUTSJS-AFUMVMLFSA-N 493.390 4.334 50 1 JIGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CC[C@H]2C(=O)O)C/C=C\C=C(\C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 169355087 AOKPUKQFVXDBSJ-VOUGEZHNSA-N 475.626 4.245 50 1 JIGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H](C[C@H](C)C(=O)O)C/C=C\C=C(\C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 169355135 RLHYVCYVLRHHCK-RIBKKSLPSA-N 463.615 4.245 50 1 JIGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1nc[nH]n1 587545616 RUPVDYVTMUKRCH-CVDCTZTESA-N 450.882 4.014 50 1 JIGF CC(C)c1ccc(/C=N/NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2Cc2ccccc2)cc1 1857751874 FMJFBLCBCXKHEJ-JVWAILMASA-N 475.570 4.391 50 1 JIGF Oc1ccc2c3c1O[C@H]1[C@H](OCc4ccccc4N=C=S)CC[C@@]4(O)[C@H](C2)N(CC2CC2)CC[C@@]314 36221388 ASQKMNDCAVTNOQ-ZZDJCMGHSA-N 490.625 4.276 50 1 JIGF CC(C)(C)OC(=O)N[C@@H](CCCCCB(O)O)C(=O)Nc1ccc(Oc2ccccc2)cc1 195132484 XFTNBUGRLBJAEZ-NRFANRHFSA-N 456.348 4.344 50 1 JIGF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccc(O[C@@H](C)C(=O)NN)cc1)CC2=O 587470456 NOWVIMZECNTXHK-SOKVYYICSA-N 460.530 4.011 50 1 JIGF CC[C@]12CCCN3C[C@@H](Br)[C@]4(C(=Nc5ccccc54)[C@@](Cl)(C(=O)OC)C1)[C@@H]32 27202972 MKEYEAIIOJJVEF-CRSFFPMXSA-N 451.792 4.203 50 1 JIGF Oc1ccc2c3c1O[C@H]1c4[nH]c5cc(N=C=S)ccc5c4C[C@@]4(O)[C@H](C2)N(CC2CC2)CC[C@]314 136088146 HLCHHTQVTBACKD-OAHAWELDSA-N 471.582 4.307 50 1 JIGF CC(=O)[C@@]1(CBr)c2cc(O)ccc2CCN1c1nc(Cl)nc2c1ncn2C(C)C 963929350 UTRIEYADMSZESC-FQEVSTJZSA-N 478.778 4.008 50 1 JIGF COc1ccc(-c2[nH]nc3c2C(=O)c2c(NC(=O)NNC(=O)c4ccc(C)cc4)cccc2-3)cc1 14945678 YBLCOFFOEGGLGV-UHFFFAOYSA-N 467.485 4.072 50 1 JIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)([C@@H](Br)S(C)(=O)=O)N1 587847703 GWPCJTKCAAVROU-VQTKTOELSA-N 491.220 4.132 50 1 JIGF O=C(N/N=C/c1c2ccccc2c(/C=N/NC(=O)c2cccnc2)c2ccccc12)c1cccnc1 27559773 RDLPSABXLZOZBY-LTTYKRRRSA-N 472.508 4.311 50 1 JIGF COC(=O)c1cccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587537525 HAIQVLMROZOKJB-AUSIDOKSSA-N 469.287 4.431 50 1 JIGF Cc1nc2ccccc2cc1C(=O)NN=C1C(=O)Nc2c(Br)ccc(Br)c21 1911582168 JXKNVULOLVKOSW-UHFFFAOYSA-N 488.139 4.154 50 1 JIGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc3c(c1)NC(=O)[C@H](C)O3)CC2=O 587456281 LYTLMDMOFADABL-YTEVENLXSA-N 460.324 4.320 50 1 JIGF N#CC1=C(N)[N+](c2ccc(S(N)(=O)=O)cc2)=C2CCCC[C-]2[C@@H]1c1ccc(Cl)cc1Cl 55812578 OTHSRKRLMGYJGV-NRFANRHFSA-N 475.401 4.366 50 1 JIGF O=C(CCCCCCC(=O)Nc1ccccc1O)N/N=C/c1ccc(O)cc1Br 95808528 PKKBGDDEAQCAOQ-OEAKJJBVSA-N 462.344 4.290 50 1 JIGF Cc1ccccc1N1C(=O)[C@H](Cl)[C@@]12C(=O)Nc1c(Br)cc(Br)cc12 103222481 XACVYHKHKIKAHI-YOEHRIQHSA-N 470.548 4.322 50 1 JIGF CC[C@@H]1O[C@H](C[C@@H]2O[C@H](C=C=CBr)C[C@@H]2Br)[C@H](O)C[C@H]1Br 2356825841 HUFQJQJGJFREJJ-PMIOCDNQSA-N 489.042 4.053 50 1 JIGF C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)C1CC1)C(=O)CCl 38599467 YCWDCICZLKVZPD-JOKWYGTHSA-N 478.988 4.103 50 1 JIGF COc1ccc(/C=C(\C#N)C(=O)NCCCCCCNC(=O)/C(C#N)=C/c2ccc(OC)cc2)cc1 13676769 HQAODQRFPTYAQW-GJHDBBOXSA-N 486.572 4.011 50 1 JIGF Cc1cc([S@@](=O)C(F)(F)[C@H](F)Cl)ccc1NC(=O)NC(=O)c1c(F)cccc1F 31500391 JTIPEMUXUZKVLM-WNNBVUDTSA-N 454.804 4.470 50 1 JIGF COc1cc([C@@H]2Oc3cc(-c4oc5cc(O)cc(O)c5c(=O)c4O)ccc3O[C@H]2CCl)ccc1O 72142634 PJPLYQVVXZAQCW-RDPSFJRHSA-N 498.871 4.411 50 1 JIGF COc1ccc2c(=O)cc([C@H](C)Br)oc2c1COC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C 169328968 UKUSIFRFBOCIQK-PVKVWUIVSA-N 493.350 4.423 50 1 JIGF O=C(CCCCCNC(=O)OCc1ccccc1)O[C@H](Br)CBr 169336847 LFGUDJNBOZQLBP-AWEZNQCLSA-N 451.155 4.132 50 1 JIGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@H](Cl)C(=O)Nc1ccc3c(c1)OCO3)O2 587372497 LXGXXJNTQBCLBZ-NOZRDPDXSA-N 464.905 4.413 50 1 JIGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1nc[nH]n1 587689543 UFWGPWGDCSOIOD-DGIBIBHMSA-N 452.759 4.130 50 1 JIGF N#C[C@H](c1nnc2n1CCCCC2)[C@@]1(CCl)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962649216 ZQTUFCVBTLSINX-KSCKTEMCSA-N 487.051 4.493 50 1 JIGF CC[C@@H]1O[C@H](C[C@@H]2O[C@H](C=C=CBr)C[C@@H]2Br)[C@@H](O)C[C@H]1Br 2356825839 HUFQJQJGJFREJJ-BYDGZEORSA-N 489.042 4.053 50 1 JIGF CC(C)N1CCN(Cc2ccc([C@@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)n2C)CC1 49678078 URQYYVAPTJQTAG-BNXFRDOISA-N 487.685 4.474 50 1 JIGF COc1cc(C(=O)NNC(=S)Nc2csc(-c3ccc(C)cc3)c2)cc(OC)c1OC 169350773 DNWPCDFOJZOMAI-UHFFFAOYSA-N 457.577 4.381 50 1 JIGF O=C(N/N=C/c1cc(O)cc(O)c1)c1ccc(-c2nnc(-c3ccc4ncccc4c3)o2)cc1 653762902 DAJWITAMQIDIQC-MZJWZYIUSA-N 451.442 4.127 50 1 JIGF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@@]21C(C=O)=C(N)Oc2ccc(Cl)cc21 963863313 SZBQUOWUKDCVPW-QUGAMOGWSA-N 498.963 4.290 50 1 JIGF O=C(Oc1ccc(N(CCBr)CCBr)cc1)c1cccc([N+](=O)[O-])c1 95719659 RDBVETSHLDWOJK-UHFFFAOYSA-N 472.133 4.410 50 1 JIGF O=C1[C@@H](Cl)[C@]2(C(=O)Nc3c(Br)cc(Br)cc32)N1c1ccccc1 103222519 VXHNXJCKMPBQSD-CZUORRHYSA-N 456.521 4.013 50 1 JIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)([C@@H](C#N)C(=O)NCc2ccccc2)N1 587687090 FIFCQOVCASTACB-GQNMWPQZSA-N 464.766 4.013 50 1 JIGF O=C(N/N=C/c1cccs1)c1nn(-c2ccccc2)c(=O)c2c1cnn2-c1ccc(Cl)cc1 1772602936 BEOYDLACPDGELE-DHRITJCHSA-N 474.933 4.050 50 1 JIGF Oc1ccc2c3c1O[C@H]1[C@H](OCc4cccc(N=C=S)c4)CC[C@@]4(O)[C@H](C2)N(CC2CC2)CC[C@@]314 36221375 HUGRODXDKPWVHV-ZZDJCMGHSA-N 490.625 4.276 50 1 JIGF O=C(NNc1nc(Nc2ccccn2)nc(Nc2ccc(Cl)cc2Cl)n1)c1ccncc1 103218714 TZBKZYVKKVRFQG-UHFFFAOYSA-N 468.308 4.213 50 1 JIGF CCCc1c(O)ccc2c1O[C@](CBr)(CS(=O)(=O)c1ccc(C)cc1)CC2=O 587482871 FEQJLUONCKDJLU-OAQYLSRUSA-N 467.381 4.226 50 1 JIGF CCOC(=O)[C@@H]1CCC[C@H](Br)[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587682791 NQDXCCYIRMPILS-IOTXAEMISA-N 463.185 4.444 50 1 JIGF CCCNc1nc(SCCN2CCOCC2)nc2c1cnn2C[C@@H](Cl)c1ccccc1 71317528 HTFHYSFOWXMDLS-LJQANCHMSA-N 461.035 4.053 50 1 JIGF O=C([C@@H]1NN2[C@H](N[C@H](c3cccs3)C[C@@H]2C(F)(F)F)[C@@H]1Cl)N1CCC[C@@H]2CCCC[C@H]21 254046382 CRMJZPWOTGBJOQ-ASJMYINDSA-N 476.996 4.017 50 1 JIGF Cc1cn([C@H]2C[C@H](n3nncc3-c3ccccc3)[C@@H](CO[Si](C)(C)C(C)(C)C)O2)c(=O)nc1O 473135173 GIASFWOVPAUCIJ-CEWLAPEOSA-N 483.645 4.066 50 1 JIGF C[C@@H]1CC[C@H]2[C@@](C)(C(=O)NCc3ccc(C(F)(F)F)cc3)O[C@@H]3O[C@]4(C)CC[C@H]1[C@@]23OO4 103192723 JQEVZXRZEKAMHQ-HAFAVDJJSA-N 455.473 4.326 50 1 JIGF COc1cc2c(cc1OC)[C@@](CCl)(C(C#N)=C1N(C)c3ccccc3N1C)N(C)[C@@H](C)C2 962626955 GILXASVLANTTNJ-LMKMVOKYSA-N 452.986 4.336 50 1 JIGF C[C@@H]1C[C@H](C)[C@H](O)C(C#N)=CC=CC[C@H]([C@@H]2CC[C@@H]2C(=O)O)OC(=O)C[C@@H](O)[C@@H](C)C[C@H](C)C1 2356585738 AOKPUKQFVXDBSJ-POXGNTBBSA-N 475.626 4.245 50 1 JIGF CC(=O)N(C)Cc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587542554 HMCODGIRFVUAIG-DHLKQENFSA-N 451.906 4.466 50 1 JIGF CCOC(=O)[C@H](c1nc(C)cs1)[C@@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587610801 HFSLCDFPNWSNBK-BSRJHKFKSA-N 473.934 4.443 50 1 JIGF COC(=O)[C@]1(CBr)CCCCC[C@@]12N[C@H](C(=O)C(F)(F)F)Cc1ccccc12 962731681 SWTKIYAXNJHGQX-IPELMVKDSA-N 462.306 4.046 50 1 JIGF CCOC(=O)c1ccc(N2C(=O)c3ccccc3[C@H](C=NNC(=O)c3ccoc3C)C2=O)c(Cl)c1 1857602368 HJHLASJEKNJPPS-IBGZPJMESA-N 493.903 4.105 50 1 JIGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2CC2=CN[C@@H](N)C(=C2)CSSC1 2356864246 VSSUOYPEIIZSQS-PUAOIOHZSA-N 488.675 4.385 50 1 JIGF Cn1c(=O)oc2cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc21 587328014 SIEQWCOHQJUKMA-ZJSXRUAMSA-N 453.853 4.469 50 1 JIGF C[C@@H]1Oc2ccc([C@@]3(CBr)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2NC1=O 587673907 RIIMNTVERNDLLL-QZXWKGOOSA-N 498.190 4.480 50 1 JIGF COc1ccc2c(c1)CCN1O[C@]3(C[C@H]21)[C@@H]1CC[C@@H](C)[C@@H]2CC[C@@]4(C)OO[C@]21[C@H](O[C@@H]3F)O4 473146054 CHSWVAOWRAPJFP-OIRMQUEISA-N 461.530 4.210 50 1 JIGF C/C(=N\NC(=O)c1ccc(Cn2cc(Br)cn2)o1)c1cccc(NC(=O)C(C)(C)C)c1 13108751 XZWMDXUFUGSBCS-VULFUBBASA-N 486.370 4.426 50 3 JIGF O=C(N/N=C/c1ccc(Cl)cc1)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1 13518614 KVYJMEJYRBQWIN-WUQZZNSYSA-N 487.991 4.425 50 1 JIGF O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CCl)OCc1ccccc1 25667587 GORZMXHABYFLGA-ZEQRLZLVSA-N 478.976 4.060 50 1 JIGF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@@](CBr)(c2cccc(Br)c2)N1 963231852 RNLGGWMVTHUSFX-UYAOXDASSA-N 476.168 4.235 50 1 JIGF O=C(CN1CCC(Br)CC1)N1N=C(c2cc3ccccc3oc2=O)C[C@H]1c1ccccc1 84604557 VJEPHVLSTZWVKF-QFIPXVFZSA-N 494.389 4.330 50 1 JIGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H](C[C@H](C)C(=O)O)C/C=C\C=C(/C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 169355132 RLHYVCYVLRHHCK-UBEWMASKSA-N 463.615 4.245 50 1 JIGF O=C(O)[C@@H]1Cc2cccc(F)c2[C@](CBr)(c2ccc(Cl)c(Br)c2)N1 962901706 RRIDOKDJDFLWKJ-YOEHRIQHSA-N 477.555 4.479 50 1 JIGF O=C(NCC(=O)N1c2ccccc2Sc2ccccc21)NN1C(=O)[C@@H](Cl)[C@@H]1c1ccccc1 98082177 TVSPUTPGVFTAAE-VXKWHMMOSA-N 478.961 4.221 50 1 JIGF CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)c2ccccc2Oc2ccccc2)C1 618009393 XBSUARNZZFDSAS-FQEVSTJZSA-N 487.691 4.390 50 1 JIGF Cc1cc(F)c([C@]2(CBr)N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)cc1Br 963521957 DKKIGOAOYIHNJS-KXBFYZLASA-N 487.163 4.148 50 1 JIGF Cc1ccc2nc(Oc3ccc(F)cc3)c(/C=N/NC(=O)Cn3c([N+](=O)[O-])cnc3C)cc2c1 169307240 GDZVJYNOYOCFPD-KBKYJPHKSA-N 462.441 4.038 50 1 JIGF CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](n2ccc(N)nc2=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C#N 195225479 WMSIRCDICHBPAB-FPAYPSAMSA-N 480.758 4.275 50 1 JIGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1ccc3c(c1)CCN(C(=O)C(F)(F)F)C3)O2 587382554 QDFQMEIJGZXGER-OAQYLSRUSA-N 452.860 4.124 50 1 JIGF COc1cc(N[C@H](C)CCCNC(=O)NNC(=O)/C=C/c2ccccc2F)c2ncccc2c1 1857746206 RMKLTTCOUITJGP-FMQWLBJXSA-N 465.529 4.007 50 1 JIGF CC1(C)C[C@]2(CC[C@@H]1Br)O[C@@H]2[C@H]1[C@@H]2[C@@](C)(O)CC[C@@H](Br)[C@@]2(C)C[C@H]1O 2356858469 TUGDQMUKKJUULR-ORWOJLONSA-N 480.281 4.409 50 1 JIGF O=S(=O)(NCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)c1ccc2c(c1)OCCO2 586942637 YOGGNZGPZIOROS-UHFFFAOYSA-N 471.429 4.470 50 1 JIGF O=C(N/N=C1\C(=O)N(CN2CCCCC2)c2ccccc21)c1ccccc1OCc1ccccc1 653726388 LXGGLEDJJPZIGK-WCTVFOPTSA-N 468.557 4.190 50 1 JIGF COc1c(Br)c(OC)c2c(c1C(C)=O)OC(C)(C)[C@H](OC)[C@H]2Br 1857637221 VGUDXZMFJGEQIG-ZUZCIYMTSA-N 452.139 4.291 50 1 JIGF COc1cc(/C=N/NC(=O)Cc2cccc3c(=O)c4ccc(C)c(C)c4oc23)cc(OC)c1OC 103299313 RADQAYNWIKZJMU-CCVNUDIWSA-N 474.513 4.282 50 1 JIGF Cc1cn([C@H]2C[C@H](n3nncc3C3CCCCC3)[C@@H](CO[Si](C)(C)C(C)(C)C)O2)c(=O)nc1O 473137679 ZIOIKYPSXSJQIF-CEWLAPEOSA-N 489.693 4.447 50 1 JIGF CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@H](SSc2ccc([N+](=O)[O-])cn2)CC[C@H]3[C@H]1C5 34208844 RAEKUJQUZFRYFZ-ZCYBMSBGSA-N 457.577 4.174 50 1 JIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(NS(C)(=O)=O)cc2)([C@@H](C)Cl)N1 587839903 JEZKAPHPWJJNJG-CLUVUEOHSA-N 475.811 4.365 50 1 JIGF COc1ccc2c(c1)[C@@](/C=C(/NNC(=O)CC#N)c1ccccc1)(C(F)(F)F)N(C(C)C)CC2 962092172 PFOMFXUHZXUKAG-KZVLXBEFSA-N 472.511 4.295 50 1 JIGF Cc1ncsc1[C@@]1(CNC(=O)CCCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587377711 SNZYDJMLXPVUHZ-REWPJTCUSA-N 474.941 4.296 50 1 JIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H](Cc2ccccc2)NC(=O)CCl)N1 587685855 RVBWIYOJIFERPC-DYHNYNMBSA-N 453.783 4.304 50 1 JIGF O=C(Cc1ccc(Cl)cc1Cl)NCC#CCc1ccc(C(=O)CBr)cc1 587875501 WBCBTXMVBXQENO-UHFFFAOYSA-N 453.163 4.476 50 1 JIGF CC[C@H](Br)[C@@H]1C[C@H](Br)[C@H](O)C[C@H]2O[C@H](C=C=CBr)C[C@H]2O1 145431703 WFSXIOIRHBENDQ-LYNRTIBJSA-N 489.042 4.053 50 1 JIGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)([C@H]1CCCN(C(=O)OC(C)(C)C)C1)O2 587372455 IVAOKYKOOHNVFB-LHSJRXKWSA-N 453.377 4.323 50 1 JIGF CCN(c1ccc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1)S(C)(=O)=O 587842289 UDEHLSGJSRIPCH-RBZFPXEDSA-N 489.838 4.391 50 1 JIGF O=C(N/N=C/c1ccccc1O)c1ccccc1Nc1ccccc1C(=O)N/N=C/c1ccccc1O 1860651 NKSCVBFVBBRUIV-YAGSLNJISA-N 493.523 4.369 50 1 JIGF NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(CCBr)cc2)cc1 114958830 CUJIZMAWZFFVKS-UHFFFAOYSA-N 474.302 4.143 50 1 JIGF Cc1c(O)ccc2c1[C@@](c1ccc(F)cc1)([C@H](Cl)C(=O)c1ccc(F)cc1)N[C@H](C(=O)O)C2 963475040 ZMRLJKIKUSMGIQ-CYSDGLOUSA-N 471.887 4.312 50 1 JIGF O=C(N/N=C/c1cc(Br)ccc1O)c1ccc(Br)cc1Br 1857575722 RCODHVYMEHXQED-CNHKJKLMSA-N 476.950 4.444 50 1 JIGF CCCCN1C(=O)[C@@]2(C(C#N)=C(c3c[nH]c4ccccc34)OC(N)=C2C(=O)OCC)c2ccccc21 53313949 GOIJUGTYQDETJA-MUUNZHRXSA-N 482.540 4.251 50 1 JIGF CCCc1c(O)ccc2c1O[C@](c1ccc(OCC(=O)O)cc1)([C@@H](C)Br)CC2=O 587455379 BDVNYTAPWCNDGV-DMZKTXOQSA-N 463.324 4.452 50 1 JIGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2cn(-c3ccc(F)cc3)nn2)N1 587737451 ZWWCTWGFDUSHRI-JEOXALJRSA-N 453.718 4.325 50 1 JIGF CCOC(=O)[C@H](Br)[C@@]1(c2ccccc2)c2cc(OC)c(OC)cc2C[C@@H](C)N1C 962567914 KFSCOZWMDHVYBB-LDLFBNOTSA-N 462.384 4.150 50 1 JIGF CS(=O)(=O)[C@@H](Br)[C@]1(c2ccccc2)c2ccsc2CCN1Cc1cccnc1 963000602 VUMXKYCWLZOINP-RTWAWAEBSA-N 477.449 4.211 50 1 JIGF COc1cc([C@H]2C(C#N)=C(N)Oc3cc(Br)ccc32)cc(Br)c1OC 34394698 JKZHSKUBNLYRBE-MRXNPFEDSA-N 466.129 4.447 50 1 JIGF N#CC1=C(N)[N+](c2ccc(S(N)(=O)=O)cc2)=C2CCCC[C-]2[C@H]1c1ccc(Cl)cc1Cl 55812579 OTHSRKRLMGYJGV-OAQYLSRUSA-N 475.401 4.366 50 1 JIGF CCOC(=O)C1([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CC1 587320341 FLJQQBWYYYFHOA-GCJKJVERSA-N 463.299 4.367 50 1 JIGF CN1Cc2cc([C@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc2NC1=O 587541847 DLWFXEZORPYWDK-RDPSFJRHSA-N 450.878 4.465 50 1 JIGF CC(C)c1nn(C)c2c1[C@@](CBr)(c1c(F)cc(Br)cc1F)NCC2 962906625 HIOWBBWMNBTIDZ-QGZVFWFLSA-N 463.164 4.368 50 1 JIGF O=c1cc(CCl)oc(CN2CCC(O)(c3ccc(Cl)c(C(F)(F)F)c3)CC2)c1O 64516324 FUFFCGZSNNEXCN-UHFFFAOYSA-N 452.256 4.240 50 1 JIGF COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4ccc(NC(=O)[C@H](C)Cl)cc41)[C@@H](C2)C3=O 587417383 MDVGIIKVOZIYPT-DVPGLCPSSA-N 473.912 4.497 50 1 JIGF COC(=O)c1cc2c3c(cc(O)c2[nH]1)N(C(=O)c1cc2cc(OC)ccc2[nH]1)C[C@H]3CCl 49070965 GQUSKGYHZNXWGQ-GFCCVEGCSA-N 453.882 4.133 50 1 JIGF CC(C)(C)OC(=O)N1CC[C@@H]1[C@@]1(CCl)N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963191133 YPWDDNPETHCPPM-XEKQOVJPSA-N 483.314 4.401 50 1 JIGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCOC(=O)[C@H]3CCCC[C@H]3C(=O)O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 103197544 AMRZDNUDTHXSMN-NKAPBBBESA-N 466.571 4.061 50 1 JIGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)([C@@H]1CCCN(C(=O)OC(C)(C)C)C1)O2 587372458 IVAOKYKOOHNVFB-SZNDQCEHSA-N 453.377 4.323 50 1 JIGF O=C(NC(=O)c1c(F)cccc1F)Nc1ccc([S@](=O)C(F)(F)[C@@H](F)Cl)cc1F 31500369 XNWHILOULBJPKV-IZPCHGGPSA-N 458.767 4.301 50 1 JIGF CC(C)(C)[C@@]1(CNC(=O)CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587323622 SATKWFDRGRCINX-UGKGYDQZSA-N 464.331 4.186 50 1 JIGF O=C(O)c1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587538260 OJHGJEQWMISQLB-PGRDOPGGSA-N 455.260 4.342 50 1 JIGF CN1C(=O)[C@]2(C(C#N)=C(N)Oc3cc4oc(-c5ccccc5)cc(=O)c4c(O)c32)c2cccc(Cl)c21 1857612895 BXHLGGAPUMDFQF-MHZLTWQESA-N 497.894 4.168 50 1 JIGF CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@@H](O[Si](C)(C)C(C)(C)C)/C1=C/C#N 195356698 BKTNMVOFLGEWND-VPXRBSQASA-N 493.753 4.296 50 1 JIGF COc1cc(CCN2CCN(CCCc3ccccc3)CC2)ccc1OCCBr 299819316 AYNGVDKKMHDTMC-UHFFFAOYSA-N 461.444 4.262 50 1 JIGF COc1cc2c3c(c1)O[C@@](c1ccccc1)([C@H](Cl)C(=O)Nc1ccc4c(c1)OCO4)[C@@H](C2)C3=O 587417315 LGKXJKGLLZDXHR-GJECAEJISA-N 477.900 4.313 50 1 JIGF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@@](CCl)(c3c[nH]c4nccc(Cl)c34)N12 962646030 SKYSSCDRQSJIEQ-PKTZIBPZSA-N 455.345 4.346 50 1 JIGF CC(C)C[C@H](NC(=O)[C@H](CI)Cc1ccccc1)C(=O)Nc1ccccc1 1650919 JVSAMVNCXRHSFH-ICSRJNTNSA-N 478.374 4.450 50 1 JIGF CC1=C[C@@]2(C(C#N)=C3CCCN13)c1[nH]c3ccccc3c1C[C@@H](C(=O)O)N2C(=O)c1ccccc1 963418393 SNFRRXVPOUVDNV-RBJSKKJNSA-N 464.525 4.306 50 1 JIGF Oc1ccc2c3c1O[C@@H]1c4[nH]c5c(N=C=S)cccc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@@]314 100640643 STOXPPZNSYPOHZ-ZGWQZBKRSA-N 471.582 4.307 50 1 JIGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587009842 VYWYMGOKPKDXPK-NRFANRHFSA-N 482.927 4.458 50 1 JIGF COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(OC(F)F)c(OC)c1)[C@@H](C2)C3=O 587419317 BYGBEXNYSPPEAD-RBZFPXEDSA-N 455.251 4.343 50 1 JIGF C[C@H]1Cc2cc([C@@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)ccc2N1S(C)(=O)=O 587532391 MHVMWPXKJFCQNV-OWJWWREXSA-N 459.995 4.376 50 1 JIGF COc1cc(NC(=O)CCl)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1C 587877927 LJAKWFIJCBGWQN-UHFFFAOYSA-N 453.753 4.198 50 1 JIGF O=C(N/N=C/c1ccco1)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2N[C@@H]1c1ccco1 1772641115 VZFASXHROUMMPU-RXVRPDCMSA-N 454.486 4.201 50 1 JIGF COc1c(Br)c(OC)c2c(c1C(C)=O)OC(C)(C)[C@H](OC)[C@@H]2Br 1857637220 VGUDXZMFJGEQIG-MEBBXXQBSA-N 452.139 4.291 50 1 JIGF CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OC(C)(C)C)C[C@@H]1Br)CC2=O 587457660 ABCMANDWNIFKIR-UWJYYQICSA-N 454.361 4.453 50 1 JIGF COc1cccc(NC(=O)CO/N=C2\CC[C@@H]3[C@]2(C)CC[C@@H]2[C@]34C=C[C@]3(C[C@@H](O)CC[C@]23C)OO4)c1 1772625965 HQYBHHAIQJFOCM-LTKCVEJGSA-N 496.604 4.393 50 1 JIGF COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4cc(NC(=O)[C@H](C)Cl)ccc41)[C@@H](C2)C3=O 587418202 SPPAIOCPPZMVRF-DVPGLCPSSA-N 473.912 4.497 50 1 JIGF COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4cc(NC(=O)[C@H](C)Cl)ccc41)[C@@H](C2)C3=O 587418209 SPPAIOCPPZMVRF-LOPDZYFUSA-N 473.912 4.497 50 1 JIGF CCOC(=O)C(C)(C)[C@]1(CBr)N[C@@H](C)Cc2ccc(F)c(Br)c21 587672145 DBCOLWNZXPLBKH-DYZYQPBXSA-N 451.174 4.302 50 1 JIGF O=C(O)[C@@H]1Cc2cccc(F)c2[C@](CBr)(c2ccc(Cl)cc2Br)N1 962905257 ZEHBYPNDRUUWMN-YOEHRIQHSA-N 477.555 4.479 50 1 JIGF CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](n2ccc(N)nc2=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1C#N 253710477 WMSIRCDICHBPAB-DKKFBQAASA-N 480.758 4.275 50 1 JIGF Fc1cc(Br)cc([C@@]2(CBr)NCCc3nc4ccccn4c32)c1F 962991373 VHUJFPPQONXWSD-QGZVFWFLSA-N 457.116 4.159 50 1 JIGF CC(=O)[C@]1(CBr)c2cc(O)ccc2CCN1c1nc(Cl)nc2c1ncn2C(C)C 963929351 UTRIEYADMSZESC-HXUWFJFHSA-N 478.778 4.008 50 1 JIGF COc1cc(C(=O)N(NC(=O)c2ccc3c(c2Cl)CCCO3)C(C)(C)C)cc(OC)c1OC 29037308 OKYODQCZXHSLCN-UHFFFAOYSA-N 476.957 4.277 50 1 JIGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(C(=O)CBr)c1F 587893863 HSZGZGQYGPRLHV-UHFFFAOYSA-N 457.126 4.421 50 1 JIGF COc1cc2c(cc1OC)[C@](CBr)(c1ccc([N+](=O)[O-])c(OC)c1)N(C)[C@@H](C)C2 962560484 CGOGJZZIYBQERF-ZSEKCTLFSA-N 465.344 4.136 50 1 JIGF Cc1ccc(N2C(=O)[C@H](Cl)[C@]23C(=O)Nc2c(Br)cc(Br)cc23)cc1 103222462 DOLCJDWTYXDTMH-WMLDXEAASA-N 470.548 4.322 50 1 JIGF COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(I)cc1)[C@@H](C2)C3=O 587428963 RMFBUFTZODIOKO-KSSFIOAISA-N 485.115 4.338 50 1 JIGF O=C(N/N=C/c1ccc(Br)cc1O)c1cc(Br)ccc1Br 1857589437 ODWZHUPHIVLDTK-CNHKJKLMSA-N 476.950 4.444 50 1 JIGF COCO[C@@H]([C@H](CO)c1ccc2c(c1)OCO2)[C@@H]1OC(C)(C)O[C@H]1CO[Si](C)(C)C(C)(C)C 195366617 VXYYZKNKWJGEOJ-KDXIVRHGSA-N 484.662 4.022 50 1 JIGF COc1ccc(Br)c(C(=O)NNc2nc(-c3cc4ccccc4oc3=O)cs2)c1 28710105 HWCXAAHXBXIABU-UHFFFAOYSA-N 472.320 4.445 50 1 JIGF CC(C)(C)[Si](OCCc1ccc(=O)n(Cc2ccccc2)n1)(c1ccccc1)c1ccccc1 195311538 ZVFUBOIDHIAJPI-UHFFFAOYSA-N 468.673 4.411 50 1 JIGF COc1ccc(NS(=O)(=O)c2ccc3nc([C@H](Br)C(C)(C)OC)[nH]c3c2)cc1 586971347 QTKNQSIZSHJMLL-KRWDZBQOSA-N 468.373 4.233 50 1 JIGF CCO/C(O)=C1\C(CS(=O)(=O)c2ccncc2)=NC(C)=C(C#N)[C@H]1c1ccccc1Cl 34802430 AIYOKUMFSDZTSK-SQYHMDOVSA-N 457.939 4.351 50 1 JIGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1ccc3c(c1)CCN(C(=O)C(F)(F)F)C3)O2 587382549 QDFQMEIJGZXGER-NRFANRHFSA-N 452.860 4.124 50 1 JIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2cn(-c3ccc(F)cc3)nn2)N1 587737460 ZWWCTWGFDUSHRI-WYRIXSBYSA-N 453.718 4.325 50 1 JIGF COc1cc(OC)c2c(-c3ccc(Br)cc3)c[nH]c2c1C(=O)NNC(=O)c1ccc[nH]1 653697817 LKAZWKBCIKCVST-UHFFFAOYSA-N 483.322 4.018 50 1 JIGF Cc1cc([C@@]2(CCl)N[C@@H](C(=O)O)Cc3c(C(F)(F)F)cc(F)cc32)c(C)n1-c1ccon1 962714818 VWLNQBYAPSFXDW-YLJYHZDGSA-N 471.838 4.321 50 1 JIGF O=C(CCl)Nc1ccc2c(c1NC(=O)CSc1ccccc1)C(=O)c1ccccc1C2=O 73199483 KIGSSANKUHRDPP-UHFFFAOYSA-N 464.930 4.370 50 1 JIGF CC(=O)NCCc1ccc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 587847331 KLOMXIAFJFKVPX-WLRWDXFRSA-N 459.812 4.345 50 1 JIGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccc(O)c(CNC(=O)CCl)c1)O2 587374596 YWSFCPVSCDHYPU-VWLOTQADSA-N 450.922 4.047 50 1 JIGF NC(=O)N1CCc2sccc2[C@]1(CBr)c1ccc(F)c(F)c1Br 962715332 RLNZHCNYJBMOGG-OAHLLOKOSA-N 466.145 4.364 50 1 JIGF O=C(CN(/N=C/c1ccccc1Cl)C(=O)c1ccncc1)N1CCN(c2ccc(Cl)cc2)CC1 28133349 JYNZCRABKDEPBX-STBIYBPSSA-N 496.398 4.214 50 1 JIGF Oc1ccc2c3c1O[C@H]1c4[nH]c5cc(N=C=S)ccc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@@]314 169372028 HLCHHTQVTBACKD-CNVJREJJSA-N 471.582 4.307 50 1 JIGF Cc1c(Cc2cccc(NS(=O)(=O)CCCCl)c2)c(=O)oc2cc(OC(=O)N(C)C)ccc12 299861653 IOOTXOAXYDZYPN-UHFFFAOYSA-N 492.981 4.123 50 1 JIGF Cc1c(O)ccc2c1[C@@](CBr)(c1c(F)ccc(Cl)c1Cl)N[C@H](C(=O)O)C2 963491332 MCVZVQDCDVTQLK-SGTLLEGYSA-N 463.130 4.384 50 1 JIGF Oc1ccc2c3c1O[C@H]1c4[nH]c5c(N=C=S)cccc5c4C[C@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 253641756 STOXPPZNSYPOHZ-FLXBVFITSA-N 471.582 4.307 50 1 JIGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2ccc(I)cc2[nH]1 587009467 HAGARCUZCRMCNZ-KRWDZBQOSA-N 478.721 4.288 50 1 JIGF CCC(Br)=CCC[C@H](O)[C@H](Br)[C@@H]1O[C@@H](C=C=CBr)C[C@@H]1O 2356760063 BBVRCKWMJJUCDA-OIHVRWOPSA-N 489.042 4.162 50 1 JIGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@H](C)CC(=O)O)C/C=C\C=C(\C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 169367038 GNUDZIMLPGSNDI-SDAXEPDHSA-N 463.615 4.245 50 1 JIGF O=C(N/N=C/c1cn(Cc2cc(-c3ccc(F)cc3)cnc2Cl)nn1)c1ccc(F)cc1 299868297 ZROUGKJXVJUWRO-LUOAPIJWSA-N 452.852 4.084 50 1 JIGF O=C(NNCc1ccc(Cl)cc1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1 29554002 XUSSNGVOMLVMBJ-VWLOTQADSA-N 490.007 4.095 50 1 JIGF N#CC(C(=O)N1N=C(O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)=C1SCCCS1 45289697 INZYHLDYHOHDQD-JSRAGOMMSA-N 473.579 4.355 50 1 JIGF C[C@@H]1Cc2cc([C@@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)ccc2N1S(C)(=O)=O 587532390 MHVMWPXKJFCQNV-MYYSRTQBSA-N 459.995 4.376 50 1 JIGF C=C(C)[C@@H]1COc2c(C)cc3oc4c(C[C@@H](Cl)C(C)(C)O)ccc(O)c4c(=O)c3c2[C@@H]1O 2356606801 DQHHJZQNNVLSOI-AVBTWRTFSA-N 458.938 4.499 50 1 JIGF C[C@H](CCO)CC[C@@]1(C)[C@H](COC(=O)Cc2ccccc2)C[C@H](O)[C@@]2(C)C(C=O)=CCC[C@@H]21 238770059 CFVJSMMGBPZRTK-NYCRRLSRSA-N 456.623 4.500 50 1 JIGF CC(=O)N1CCc2sc([C@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2C1 587617776 KYLRPUCYFRRTMG-URXFXBBRSA-N 469.946 4.454 50 1 JIGF COC(=O)[C@@H]1[C@@H](c2ccc(I)cc2)C[C@H]2CC[C@@H]1N2CCCBr 36271250 NBDQDRSEYYQZOF-WCXIOVBPSA-N 492.195 4.186 50 1 JIGF O=C(CCl)NC[C@@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587544344 NSNBLBKEJWJCKR-REWPJTCUSA-N 458.297 4.258 50 1 JIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(C(=O)O)cc2)N1 587672524 GJIDQPKVFFZFEC-MGNBDDOMSA-N 457.137 4.459 50 1 JIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(CCN2C(=O)c3ccccc3C2=O)N1 587689438 SLDAYYCNKXQUIG-GTJPDFRWSA-N 465.750 4.243 50 1 JIGF O=C([C@@H]1Cc2ccccc2[C@](CBr)(c2cc(Br)ccc2O)N1)C(F)(F)F 962769682 SYDAZUSWOWJVCH-WMLDXEAASA-N 493.117 4.439 50 1 JIGF Cc1cccc2c1[C@]1(C(=O)N(CCCl)c3ccccc31)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963854079 MUMKFLVPPFYXEN-WXTAPIANSA-N 484.980 4.461 50 1 JIGF COc1cc2c3c(c1)O[C@](c1ccc(Br)cc1)([C@H](Br)CC(=O)O)[C@@H](C2)C3=O 587415983 ZQYWDDVZANGNIF-NBQZKYEYSA-N 496.151 4.339 50 1 JIGF Cc1ccc(S(=O)(=O)N2C[C@@H](Br)[C@]3(C2)NCCc2cccc(-c4ccccc4)c23)cc1 962658173 BWBXADGQTABGLS-NOZRDPDXSA-N 497.458 4.471 50 1 JIGF COc1cccc(CCc2cc(O)c(-c3c(OC)cc([C@H]4OO[C@H]4CO)cc3OC)c(OC)c2)c1 2356489731 HVCTXCDEFSHFMW-RPLLCQBOSA-N 482.529 4.243 50 1 JIGF CCCc1c(O)ccc2c1O[C@@](CBr)(CCN1C(=O)c3ccccc3C1=O)CC2=O 587456917 SQSPPSFXTFLFNJ-QHCPKHFHSA-N 472.335 4.130 50 1 JIGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc2c(c1)OCCO2 587537143 AZJKYCVQNCNYDO-REWPJTCUSA-N 469.287 4.415 50 1 JIGF O=C([C@H]1Cc2ccccc2[C@@](CBr)(c2cccc(Br)n2)N1)C(F)(F)F 962729878 KJYHJECKUFQYCP-WBMJQRKESA-N 478.106 4.128 50 1 JIGF CC1=CCC(=O)C=CC=Cc2csc(n2)[C@@H](C)NC(=O)C[C@]2(CC1)[C@@H](C)C(=O)S[S@@]2=O 1857627370 PPMWKMGSNPRMGG-HZMJYQKLSA-N 478.661 4.291 50 1 JIGF Cc1ccc(S(=O)(=O)NNC(=O)c2cc(C)ccc2NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 6041391 INSNIWQLIFYISU-UHFFFAOYSA-N 481.618 4.082 50 1 JIGF CC1(C)[C@H]2CC[C@@]1(C(=O)O)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)[C@H]2Br 587546014 UNEKRKQIADVTPC-ZCEYESGUSA-N 473.319 4.377 50 1 JIGF CCOC(=O)C1=C(N)OC(c2cn(C)c3ccccc23)=C(C#N)[C@@]12C(=O)c1cccc3cccc2c13 53226504 VJIGGESKAGZCHI-GDLZYMKVSA-N 475.504 4.464 50 1 JIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(S(C)(=O)=O)cc2)N1 587850997 UBBQJJADQFGELD-ZMZPIMSZSA-N 491.220 4.164 50 1 JIGF O=C(Nc1ccc(OCCN2CCOCC2)cc1)Nc1ccc(N(CCCl)CCCl)cc1 66166912 ULRPGCHKGKTCCU-UHFFFAOYSA-N 481.424 4.326 50 1 JIGF COc1cc([C@@H]2Oc3c(OC)cc(C=CC=O)cc3[C@H]2COC(=O)c2ccc(O)cc2)ccc1O 2356755426 JRDSHOZYAFZUGI-BWKNWUBXSA-N 476.481 4.401 50 1 JIGF COc1cc([C@H]2Oc3cc(-c4oc5cc(O)cc(O)c5c(=O)c4O)ccc3O[C@H]2CCl)ccc1O 72142633 PJPLYQVVXZAQCW-GBXCKJPGSA-N 498.871 4.411 50 1 JIGF CC(=N)Nc1cccc(C(=O)NNC(=O)C[C@@H](CC(=O)O)c2ccc(-c3ccccc3)cc2)c1 13862977 RLSLSUFDJVUGJE-QFIPXVFZSA-N 458.518 4.172 50 1 JIGF CCO/C(O)=C1\C(CS(=O)(=O)c2ccccc2)=NC(C)=C(C#N)[C@@H]1c1cccc([N+](=O)[O-])c1 34802473 RPIZCWNLOIRGEW-JSMIYBGHSA-N 467.503 4.211 50 1 JIGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CC[C@H]2C(=O)O)C/C=C/C=C(/C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 43151360 AOKPUKQFVXDBSJ-GUNUBHQASA-N 475.626 4.245 50 1 JIGF N#Cc1cc(Br)c2[nH]c([C@H](Cc3c[nH]c4ccccc34)NC(=O)CCl)nc2c1 587009376 CHJVGJGJWPWNAW-KRWDZBQOSA-N 456.731 4.317 50 1 JIGF CCOC(=O)C1([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CC1 587320337 FLJQQBWYYYFHOA-AVRDEDQJSA-N 463.299 4.367 50 1 JIGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(C(=O)O)cc2)N1 587672529 GJIDQPKVFFZFEC-XTZNXHDOSA-N 457.137 4.459 50 1 JIGF C[C@@H]1CC[C@H]2[C@@](C)(O)[C@@H](OCc3c(F)c(F)c(F)c(F)c3F)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 95552386 XTLHRUVWBUBECE-FRODZYRCSA-N 480.426 4.222 50 1 JIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1cc(C#N)c(O)nc1CC[C@@H]2Br 587677453 AJQDZWIPBSMOAW-OJNOEAMPSA-N 481.163 4.048 50 1 JIGF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@](CCl)(c3c[nH]c4nccc(Cl)c34)N12 962646031 SKYSSCDRQSJIEQ-XZOQPEGZSA-N 455.345 4.346 50 1 JIGF COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2c(N)cc3nc4ccccc4nc3c21 1772628364 DZJABQNKJCMBHN-IBGZPJMESA-N 474.318 4.354 50 1 JIGF COC(=O)c1cc2c3c(ccc2[nH]1)N(C(=O)c1cc2cc(OC)c(OC)c(OC)c2[nH]1)C[C@H]3CCl 5925063 APWWFQQORDQRJM-CYBMUJFWSA-N 497.935 4.444 50 1 JIGF CC(C)C(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(F)[C@@H](O)C[C@@]21C 299812805 WPTAKIAMKZCANU-MJHCHVAESA-N 481.004 4.349 50 1 JIGF CS(=O)(=O)[C@H](Br)[C@]1(c2ccccc2)c2ccsc2CCN1Cc1cccnc1 963000605 VUMXKYCWLZOINP-SFTDATJTSA-N 477.449 4.211 50 1 JIGF CN(C)CC(=O)Nc1cccc(NC(=O)Nc2ccc(N(CCCl)CCCl)cc2)c1 215609228 SFUSWEUZVBKXFF-UHFFFAOYSA-N 452.386 4.115 50 1 JIGF CN(C)c1ccc(C(=O)N[C@H](CCCCCB(O)O)C(=O)Nc2cccc(-c3ccccc3)c2)cc1 195110788 ZCAVTKSCFNIZET-AREMUKBSSA-N 487.409 4.190 50 1 JIGF N#Cc1cnn2c(Nc3ccccc3Br)cc(CN(CCCl)CCCl)nc12 1772608643 PCTFZOZKTBGAJI-UHFFFAOYSA-N 468.186 4.387 50 1 JIGF COc1cc(NC(=O)c2ccc(Cl)c(NC(=O)[C@@H](C)Br)c2)cc(OC)c1OC 28954506 PPOLWHOLXWHVKY-SNVBAGLBSA-N 471.735 4.340 50 1 JIGF COc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1C(=O)CBr 587874565 BWAZAYVIVLSFSL-UHFFFAOYSA-N 469.162 4.290 50 1 JIGF CCOC(=O)[C@H](Br)[C@@]1(c2ccccc2)c2cc(OC)c(OC)cc2C[C@H](C)N1C 962567916 KFSCOZWMDHVYBB-VSUDMRMVSA-N 462.384 4.150 50 1 JIGF CC(=O)O[C@@H]1C[C@H]2[C@](C)(CC[C@H]3C(C)(C)CCC[C@]32C)[C@@H]2C[C@H](O)C(=CC=O)C(=O)O[C@]21C 2356581616 CSVCFXXXBLXLBZ-CWRNPXGVSA-N 460.611 4.379 50 1 JIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(CS(=O)(=O)c2ccccc2)N1 587848709 INYIXDXQTAQVTA-KZULUSFZSA-N 491.220 4.187 50 1 JIGF COc1ccc2cc([C@@H](C)C(=O)Oc3cc(O/N=[N+](\[O-])N(C)C)c([N+](=O)[O-])cc3[N+](=O)[O-])ccc2c1 44247151 KIISNOLZYLGPIO-FVSJACOZSA-N 499.436 4.107 50 1 JIGF CN(C)CCSSCCNC(=O)C1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)CC1 618008253 WEABTJCQJKMRSV-UHFFFAOYSA-N 487.691 4.390 50 1 JIGF O=C(NCc1ccc(Cl)cc1Cl)C1CCN(C(=O)Oc2ccc([N+](=O)[O-])cc2)CC1 44417197 RFTQNQTURZJHLD-UHFFFAOYSA-N 452.294 4.429 50 1 JIGF O=C(Cl)c1cc(C(=O)Cl)cc(C(=O)c2c(CO)oc3cc(Br)cnc23)c1 587275436 ATPAKIISDZHURC-UHFFFAOYSA-N 457.063 4.072 50 1 JIGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](O[C@@H](CC(=O)O)c3ccc([N+](=O)[O-])cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 103041698 UVWPFYQIBWCYOU-TWOHFFAASA-N 477.510 4.335 50 1 JIGF CC(C)c1nn(C)c2c1[C@](CBr)(c1cc(F)c([N+](=O)[O-])cc1Br)NCC2 962920076 QVAPQJFGAMFCTI-KRWDZBQOSA-N 490.171 4.138 50 1 JIGF COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4cc(NC(=O)[C@@H](C)Cl)ccc41)[C@@H](C2)C3=O 587418203 SPPAIOCPPZMVRF-GTNFAWDRSA-N 473.912 4.497 50 1 JIGF CCOC(=O)[C@H](c1nc(C)cs1)[C@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587610806 HFSLCDFPNWSNBK-IUKKYPGJSA-N 473.934 4.443 50 1 JIGF CCOC(=O)[C@@H](Cl)Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 587884533 MGRNRKVYPMMGRR-FQEVSTJZSA-N 452.765 4.417 50 1 JIGF CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](n2cc(F)c(=O)[nH]c2=O)C[C@@H]1O[Si](C)(C)C(C)(C)C 195515716 XTEPBIUQFMKCPD-ULQDDVLXSA-N 474.722 4.375 50 1 JIGF Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1[C@H]1CCS(=O)(=O)C1 587532995 SRZIFOUQKBXCNH-UUOWRZLLSA-N 462.011 4.443 50 1 JIGF CC[C@@H]1O[C@H](C[C@@H]2O[C@H](C=C=CBr)C[C@@H]2Br)[C@H](O)C[C@@H]1Br 2356825840 HUFQJQJGJFREJJ-KISPGDPHSA-N 489.042 4.053 50 1 JIGF COc1cc2c3c(c1)O[C@]1(CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]1Br)[C@@H](C2)C3=O 587418556 UBGBKDZDODWSPV-GDCLHMSGSA-N 452.345 4.022 50 1 JIGF COc1ccccc1Nc1nc(Nc2ccccc2OC)nc(C(=O)NNc2ccccc2)n1 653720274 OJDQCSWXAINACE-UHFFFAOYSA-N 457.494 4.133 50 1 JIGF O=C([C@@H]1NN2[C@@H](N[C@@H](c3cccs3)C[C@@H]2C(F)(F)F)[C@@H]1Cl)N1CCC[C@@H]2CCCC[C@@H]21 169355957 CRMJZPWOTGBJOQ-FYYIFSQDSA-N 476.996 4.017 50 1 JIGF CCO[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@]15C[C@@H]1c6ccc(OC)cc6CCN1O5)[C@]42OO3 473152926 XIQXJVDSSQNATO-VMWRPXONSA-N 487.593 4.277 50 1 JIGF O=C(O)[C@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@](CCl)(Cc2cc(O)nc3ccccc23)N1 962718039 YFOHOZCHXZJSNK-WIYYLYMNSA-N 468.834 4.374 50 1 JIGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCc3ccc(CN4CCOCC4)cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 1911579489 GMFYZQUJZWTJSP-GDZBWHOASA-N 473.610 4.243 50 1 JIGF CC(C=O)=C[C@H](C)[C@@H]1CC(C)=CC=CCC[C@H](OC(=N)O)[C@H](O)C=C[C@H](O)CCCC=CC(=O)O1 2356542308 XKGDMUIDORFBTK-QVXKZJQXSA-N 489.609 4.248 50 1 JIGF COc1cc(/C=N/NC(=O)Cc2ccc(NC(=O)c3ccccc3)cc2)cc(Br)c1O 299854827 ALEWVUUKXKSLKS-AFUMVMLFSA-N 482.334 4.108 50 1 JIGF COc1ccc(O)c(/C=N/NC(=O)c2ccc(-c3nnc(-c4ccc5ncccc5c4)o3)cc2)c1 653714299 YDQARTBAABLKDQ-RWPZCVJISA-N 465.469 4.430 50 1 JIGF COc1ccc2c(c1)[C@]1(C(C=O)=CO2)c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccccc1 963413379 GWICZQCLRJLZRB-PWUYWRBVSA-N 494.503 4.047 50 1 JIGF O=C(N/N=C/c1cccc([N+](=O)[O-])c1)N1CCc2ncnc(Nc3ccc(F)c(Cl)c3)c2C1 1857756088 IJJTWHYNODSEOS-NSKAYECMSA-N 469.864 4.023 50 1 JIGF CN(C)c1ccc(/C=N/NC(=O)/C(=C/c2cnn(-c3ccccc3)c2)c2ccc(O)cc2)cc1 40877715 YEGASUTWFGZGAI-TURPLPBBSA-N 451.530 4.335 50 1 JIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(S(C)(=O)=O)cc2)N1 587850994 UBBQJJADQFGELD-ADLMAVQZSA-N 491.220 4.164 50 1 JIGF COc1ccc(/C=N/NC(=O)COc2ccc3c(-c4ccccc4)cc(=O)oc3c2)cc1OC 1857638393 KAUXNEMUJYREEZ-JFLMPSFJSA-N 458.470 4.006 50 1 JIGF CC1(C)[C@@H]2CC[C@@]1(C)/C(=N/NC(=O)[C@H]1[C@H]3C(=O)N4c5ccccc5S[C@@H]4[C@@]34C=C[C@]1(C)O4)C2 1857557534 SZZRHBIUQZNCQD-PZSWEFPXSA-N 463.603 4.113 50 1 JIGF CC(C)n1c([C@H](CCCNC(=N)CCl)NC(=O)c2ccccc2C(=O)O)nc2ccccc21 1857762510 XXLWUEGTUYVUJA-IBGZPJMESA-N 469.973 4.372 50 1 JIGF CN1C(=O)CC[C@@]2(C)[C@@H]1CC[C@H]1[C@H]3CC[C@@](O)(C#CCCI)[C@@]3(C)CC[C@H]12 26007257 MVORGJNGNGLACY-ZQPKRWIZSA-N 483.434 4.409 50 1 JIGF CCOC(=O)[C@H](c1nc(C)cs1)[C@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587610803 HFSLCDFPNWSNBK-IEGUWTFLSA-N 473.934 4.443 50 1 JIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2cn(-c3ccc(F)cc3)nn2)N1 587736491 WCENMWOHDLHFAR-WYRIXSBYSA-N 453.718 4.325 50 1 JIGF CCOC(=O)/C(C#N)=C/Nc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 587885723 CAJCOMCYZSBIID-OBGWFSINSA-N 456.329 4.086 50 1 JIGF CC(=O)c1ccc2c(c1)[C@](C1CC1)([C@@H](Cl)C(=O)C(F)F)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962635135 UGOKADXRVDLZQU-TXBYWVTISA-N 485.911 4.183 50 1 JIGF O=C(O)c1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587538261 OJHGJEQWMISQLB-XMSQKQJNSA-N 455.260 4.342 50 1 JIGF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@@]2(CCl)c1cc(C(=O)O)co1 963862894 JJARNPJVZLVMHO-WAIKUNEKSA-N 463.914 4.405 50 1 JIGF C=C1C[C@@H](O)[C@@H](Br)C(C)(C)[C@@]12C=C[C@](O)(C(Br)Br)CC2 139996689 BDUUDTPDYKKJPZ-YIKOMLBNSA-N 473.043 4.280 50 1 JIGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc2c(c1)OCCO2 587537137 AZJKYCVQNCNYDO-NFBKMPQASA-N 469.287 4.415 50 1 JIGF Cc1c(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)noc1[C@@H]1C[C@H](Br)[C@H](C)CO1 1772617085 SGMDUSNPYFXLQE-DQYPLSBCSA-N 495.418 4.410 50 1 JIGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@H](C)[C@H](C)C(=O)O)C/C=C\C=C(/C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 169355081 ZYDRORLSVFUCAK-OFBKBJHHSA-N 477.642 4.491 50 1 JIGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2c[nH]c(C(=O)N3CCCC3)c2)N1 587683709 HSIKBTQOGLYLOI-FKIZINRSSA-N 454.771 4.169 50 1 JIGF COCCOC(=O)/C(C#N)=C(\NCc1ccc(OCc2cnc(Cl)s2)c(OC)c1)C(C)C 103279226 UCARWHIUESEEEM-JZJYNLBNSA-N 479.986 4.097 50 1 JIGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc3c(c1)NC(=O)[C@@H](C)O3)CC2=O 587456279 LYTLMDMOFADABL-IPQOISQHSA-N 460.324 4.320 50 1 JIGF O=C1c2ccccc2C(=O)N1Cc1c(CBr)[nH]c2c1c(Br)cc1n[nH]cc12 587620929 JGQOMRTVDMEOCQ-UHFFFAOYSA-N 488.139 4.498 50 1 JIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(O)c(C=O)c2)N1 587672806 ICZRJOXGBALNQF-MLCYQJTMSA-N 457.137 4.279 50 1 JIGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(CCN2C(=O)c3ccccc3C2=O)N1 587689440 SLDAYYCNKXQUIG-QKVFXAPYSA-N 465.750 4.243 50 1 JIGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(N(C)S(C)(=O)=O)cc2)N1 587839267 GFRZOLKGKJFATO-HXPMCKFVSA-N 475.811 4.001 50 1 JIGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc([N+](=O)[O-])ccc1C(=O)CBr 587874620 DIAVIOSQXNDHTJ-UHFFFAOYSA-N 484.133 4.190 50 1 JIGF CN(C)C(=O)c1ccc2c(c1)[C@](CBr)(c1c(F)ccc(Br)c1F)NCC2 962926433 ONJJXFWWPZLYIV-LJQANCHMSA-N 488.170 4.213 50 1 JIGF COc1cc2c3c(c1)O[C@](c1ccc(Cl)cc1)([C@@H](Br)CC(=O)O)[C@@H](C2)C3=O 587413331 GUUUSQUYDRRMOF-UVFQYZLESA-N 451.700 4.230 50 1 JIGF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(N3CCN(C(=O)CCl)CC3)c(F)c1)CC2=O 587465229 BYKUZHXHDXJAOF-VWLOTQADSA-N 474.960 4.252 50 1 JIGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(S(C)(=O)=O)cc2)N1 587850996 UBBQJJADQFGELD-VOJFVSQTSA-N 491.220 4.164 50 1 JIGF CC(C)[C@@H]1C[C@H](O)C=C2[C@@H]3[C@](C)(O)[C@@H](O)C[C@H](Br)[C@@]3(C)CC[C@@]21CBr 140630773 GYAWJQDSSUBDTF-OQXMJJEBSA-N 480.281 4.026 50 1 JIGF CC(=O)OC[C@H](Br)[C@@]1(C)CC=C2[C@@H](C1)[C@H](O)C[C@H]1[C@@]2(C)C[C@@H](OC(C)=O)[C@@H]2C[C@@]21C 238741713 HZCDDFSOFFFHAP-XEJVXSLASA-N 483.443 4.404 50 1 JIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CN(C(=O)OC(C)(C)C)C[C@H]2Br)N1 587679167 FIFBRTOBSZPTLZ-ZEWFUEFWSA-N 478.200 4.332 50 1 JIGF COc1cc(-c2[nH]nc3c2[C@H](c2ccccc2Br)C(C#N)=C(N)O3)cc(OC)c1OC 4008409 HPKDUETYLUEMAJ-QGZVFWFLSA-N 483.322 4.083 50 1 JIGF O=C(NNCc1ccc(Cl)cc1)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1 13518628 XUSSNGVOMLVMBJ-RUZDIDTESA-N 490.007 4.095 50 1 JIGF C[C@H](CC(=O)N(C)[C@@H]1C[C@H](CCl)[C@@H]2CC[C@H](c3nccs3)N2C1=O)C(Cl)Cl 2356796700 NLJRRIAWGZFANL-RKQHYHRCSA-N 452.835 4.091 50 1 JIGF C[C@H](CSSCCN(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 618017416 KNFQLXYLEMUEBS-UUSOUGOLSA-N 481.772 4.278 50 1 JIGF COC(=O)N(C)N[C@@H](CCc1ccncc1)COc1ccc(-c2cccc([N+](=O)[O-])c2)cc1 27327639 TYDAPQSVVCOTNN-NRFANRHFSA-N 450.495 4.240 50 1 JIGF COc1cc(C(=O)N/N=C\c2ccc(OC(=O)c3ccccc3Cl)c(OC)c2)ccc1O 60311273 HTALEKPDKVBLQK-MXAYSNPKSA-N 454.866 4.046 50 1 JIGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@]2(N1)/C(=C(/C#N)NCc1ccccn1)C(=O)c1ccccc12 962963745 ZTGAMXDSDCFNAO-DZFJVYFCSA-N 459.553 4.495 50 1 JIGF CCN(CC)C(=O)c1ccc(C(=O)OCC[C@@H]2CCC[C@@H]3CC[C@]4(C)OO[C@@]23[C@@H](OC)O4)cc1 100858433 HZHZRUSSMBRIGG-UQCWTDEESA-N 475.582 4.332 50 1 JIGF CCOC(=O)C1=C(N)OC(c2c[nH]c3ccccc23)=C(C#N)[C@@]12C(=O)c1cccc3cccc2c13 53314249 XZDVKCUCPHVLLF-MUUNZHRXSA-N 461.477 4.454 50 1 JIGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@]2(N1)/C(=C(\C#N)NCc1ccccn1)C(=O)c1ccccc12 962963741 ZTGAMXDSDCFNAO-BKFVEZQLSA-N 459.553 4.495 50 1 JIGF COc1c(Br)c(OC)c2c(c1C(C)=O)OC(C)(C)[C@@H](OC)[C@@H]2Br 1857637218 VGUDXZMFJGEQIG-BMIGLBTASA-N 452.139 4.291 50 1 JIGF O=C(NC(=O)c1c(F)cccc1F)Nc1ccc([S@@](=O)C(F)(F)[C@@H](F)Cl)cc1F 31500376 XNWHILOULBJPKV-ONSXPEOJSA-N 458.767 4.301 50 1 JIGF N#C/C(C(=O)Nc1nc(-c2cc3ccccc3oc2=O)cs1)=C1/SC(=O)CN1c1ccccc1 103281042 XCYKQCMZASYBEY-XLNRJJMWSA-N 486.534 4.370 50 1 JIGF O=NN(CCCl)C(=O)N[C@H]1CC[C@H](C[C@H]2CC[C@H](NC(=O)N(CCCl)N=O)CC2)CC1 299846525 CHRJZHUVRKHISQ-GARHLSDISA-N 479.409 4.358 50 1 JIGF COc1cc(C(=O)Oc2ccccc2/C=N\NC(=O)c2ccc(Cl)cc2)cc(OC)c1OC 13108327 VYDWXPSVGKFSAK-WGARJPEWSA-N 468.893 4.349 50 1 JIGF COC(=O)[C@]1(CBr)CCCCC[C@]12N[C@@H](C(=O)C(F)(F)F)Cc1ccccc12 962731679 SWTKIYAXNJHGQX-ATZDWAIDSA-N 462.306 4.046 50 1 JIGF COc1ccccc1C(=O)[C@@H](Cl)[C@]1(c2ccccc2OC)N[C@H](C(=O)O)Cc2cc(F)ccc21 962893060 FYFDINCFDKFYSR-KHMOSXFSSA-N 483.923 4.176 50 1 JIGF Cc1ccc(C(=O)NNC(=O)c2ccc3c(c2)CO[C@@]3(CCCN(C)C)c2ccc(F)cc2)cc1 1857640011 XXYGHNXBCRFKDK-NDEPHWFRSA-N 475.564 4.325 50 1 JIGF C/C(NNC(=O)c1ccc(C(=O)O)cc1)=C1/C(=O)N(c2ccc3c(c2)CCC3)c2ccc(F)cc21 58592370 LRTBXSLVBSSNMS-IWIPYMOSSA-N 471.488 4.357 50 1 JIGF N#C/C(=C/c1c[nH]nc1-c1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl)C(=O)O 587879160 KZKGTOYTNKYJCE-YVLHZVERSA-N 479.323 4.085 50 1 JIGF COc1cccc(NC(=O)[C@@H](Cl)[C@]2(c3ccccc3)NCCc3c2c(C(C)C)nn3C)c1 962918964 OIWOXBSIGYLTFQ-ILBGXUMGSA-N 452.986 4.188 50 1 JIGF O=C(CC[S@](=O)Cc1ccco1)NNC(=O)N1Cc2ccccc2Oc2ccc(Cl)cc21 27556418 HYKFEQPXQAUXPX-JGCGQSQUSA-N 473.938 4.125 50 1 JIGF CC(C)(C)[Si](OCc1ccnn(Cc2ccccc2)c1=O)(c1ccccc1)c1ccccc1 299866895 WVJMFNWHUGYARH-UHFFFAOYSA-N 454.646 4.368 50 1 JIGF CCOC(=O)COc1nc(-c2ccc(Cl)c(Cl)c2)n(-c2ccc(NC(=O)CCl)cc2)n1 1857752730 FRWLBCVAHSZCLI-UHFFFAOYSA-N 483.739 4.360 50 1 JIGF CC(=O)OCC(=O)[C@]1(O)[C@H](C)C[C@H]2[C@@H]3CC[C@H]4CC(=O)[C@@H](Br)C[C@]4(C)[C@H]3CC[C@@]21C 2356732843 AEDZUDVIFQHWGD-GJKQVZIFSA-N 483.443 4.081 50 1 JIGF COc1ccc(/C=C/C(=O)Oc2ccc(/C=N\NC(=O)COc3c(C)cccc3C)cc2)cc1 33344782 DJQLVNIBVGUTRE-OBTLGVLFSA-N 458.514 4.460 50 1 JIGF [C-]#[N+]C1=C(C)N(c2cccc(C(F)(F)F)c2)c2nc(N)nn2[C@@H]1c1ccc(C#N)cc1S(C)(=O)=O 96175701 QOFLLVGYJBSGFZ-LJQANCHMSA-N 499.478 4.046 50 1 JIGF CC(=O)Oc1ccccc1[C@@H]1[C@@H](Cl)C(=O)N1NC(=O)Nc1nc2ccc(Cl)cc2s1 1857574279 WMYWHUGWULPZRT-HZPDHXFCSA-N 465.318 4.102 50 1 JIGF CCOC(=O)N1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@@H](Br)C1 587324085 OVERKFLNTGVAPE-JQVVWYNYSA-N 478.314 4.255 50 1 JIGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ccc(N2CCOC2=O)cc1 587545977 ULGJZTBAFNPPLL-RDPSFJRHSA-N 451.862 4.445 50 1 JIGF CCN(c1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1)S(C)(=O)=O 587609004 UFSNNUBHHFMIFY-URXFXBBRSA-N 487.961 4.274 50 1 JIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc3c(cc2NC(=O)CCl)OCO3)N1 587685927 SCZGMFSEUMJVPN-CFMSYZGJSA-N 469.738 4.292 50 1 JIGF COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4c(NC(=O)[C@@H](C)Cl)cccc41)[C@@H](C2)C3=O 587419772 ZMCUEAGWACLWQG-ZZFGVXKJSA-N 473.912 4.497 50 1 JIGF Cc1ccc(N2C(=O)[C@H](Cl)[C@@]23C(=O)Nc2c(Br)cc(Br)cc23)cc1 103222467 DOLCJDWTYXDTMH-YOEHRIQHSA-N 470.548 4.322 50 1 JIGF N#C/C(=C\c1c[nH]nc1-c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1)C(=O)O 587882007 JHLZFLAYDDBMEN-VCHYOVAHSA-N 479.323 4.085 50 1 JIGF COc1cc([C@]2(C)N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)ccc1OCCCCl 962983714 ZFLNMEVSJJGDNU-BTYIYWSLSA-N 460.304 4.497 50 1 JIGF CN(C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(C(=O)NNC(=O)c3cccc(F)c3)ccc21 1857758904 LVSZACXTNQFFGL-MHZLTWQESA-N 479.527 4.155 50 1 JIGF COC(=O)[C@H]1[C@H](c2ccc(I)cc2)C[C@H]2CC[C@H]1N2CCCBr 253685857 NBDQDRSEYYQZOF-TWMKSMIVSA-N 492.195 4.186 50 1 JIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc3c(c2)NC(=O)[C@@H](C)O3)N1 587673905 RIIMNTVERNDLLL-HZNYWTHISA-N 498.190 4.480 50 1 JIGF COc1cccc([C@H]2C(C#N)=C(N)Oc3cc4oc(-c5ccccc5)cc(=O)c4c(O)c32)c1OC 1911571178 UOBHOLCUYZCRTK-QFIPXVFZSA-N 468.465 4.401 50 1 JIGF O=C(C[n+]1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)cc1)c1ccccc1 2896919 QASHEFSPYKEOLB-UHFFFAOYSA-O 450.518 4.200 50 3 JIGF aggregator Oc1ccc2c3c1O[C@H]1[C@H](OCc4ccccc4N=C=S)CC[C@@]4(O)[C@H](C2)N(CC2CC2)CC[C@]314 100729974 ASQKMNDCAVTNOQ-XYNQSRFLSA-N 490.625 4.276 50 1 JIGF CN(C)CCSSCCNC(=O)C1CCN(C(=O)c2ccccc2Cc2ccccc2)CC1 618008884 NJVUBJZSLNIZHU-UHFFFAOYSA-N 485.719 4.189 50 1 JIGF CCOC(=O)c1ccccc1[C@@]1(CBr)c2cc(OC)c(OC)cc2C[C@@H](C)N1C 962619509 DAJCZDYWZMPKCA-CMJOXMDJSA-N 462.384 4.395 50 1 JIGF N#C/C=C/c1cc(Br)cc(Oc2ccc(Cl)cc2OCCn2ccc(=O)[nH]c2=O)c1 95920677 CDXBVRNWNVMMGU-OWOJBTEDSA-N 488.725 4.361 50 1 JIGF in-vitro COc1cc(/C=N/NC(=O)c2ccc(CSc3nc(C)cc(C)n3)cc2)cc(OC)c1OC 36270062 YVAIPVJBDSPZRB-DHRITJCHSA-N 466.563 4.175 50 1 JIGF N#CC1=C(N)N2CCN(Cc3ccc(Cl)nc3)C2=C([N+](=O)[O-])[C@H]1c1ccc(Cl)cc1Cl 103210767 RZVZHLYMECGODP-KRWDZBQOSA-N 477.739 4.096 50 1 JIGF CC(C)(C)[Si](OCc1ccc(=O)n(Cc2ccccc2)n1)(c1ccccc1)c1ccccc1 195311527 OJWGEJFUJIUVPL-UHFFFAOYSA-N 454.646 4.368 50 1 JIGF Cc1ccc(S(=O)(=O)C[C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587605416 CJYFTBWPJHRPOM-OFNKIYASSA-N 458.919 4.114 50 1 JIGF C[C@H](Cl)[C@@]1(c2ccc(NS(C)(=O)=O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587606114 GOXNQDPWUZBZBP-JOGUKUGOSA-N 473.934 4.248 50 1 JIGF O=C(O)[C@@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@](CBr)(c2ccnc(Cl)c2F)N1 962699937 DXZAUUFRUKQVCS-LRDDRELGSA-N 485.634 4.269 50 1 JIGF COCCOc1nc(-c2ccc(Cl)cc2Cl)n(-c2ccc(NC(=O)CCl)cc2)n1 1857753041 PRNKBOIALRRCMW-UHFFFAOYSA-N 455.729 4.444 50 1 JIGF COc1cc2cc(C(=O)N3C[C@@H](CCl)c4c3cc(O)c3ncccc43)[nH]c2c(OC)c1OC 34000136 YMYUEELGWHCYLY-CYBMUJFWSA-N 467.909 4.430 50 1 JIGF COC(=O)[C@H]1C[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC(=C(C)C)C1=O 196925894 JKCQDUKWBXUIQR-YKSBVNFPSA-N 450.651 4.420 50 1 JIGF COc1cc2c(cc1OC)[C@]1(C=C(CCl)OCC1=O)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962682327 ZSVCJTVDVJQVAX-QHCPKHFHSA-N 495.881 4.338 50 1 JIGF Oc1ccc2c3c1O[C@H]1[C@H](OCc4ccc(N=C=S)cc4)CC[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@@]314 100729901 MQXHRAHADPPNRD-UXWAOUJDSA-N 490.625 4.276 50 1 JIGF COC(=O)C(C)(C)[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587322499 MUZQFJYDHPOAIR-DYESRHJHSA-N 451.288 4.223 50 1 JIGF N#Cc1ccc(/C=N/NC(=O)Cn2cnc3scc(-c4ccc5ccccc5c4)c3c2=O)cc1 73140268 LUGLJIKGPABYAP-VFLNYLIXSA-N 463.522 4.300 50 1 JIGF O=C(N/N=C\c1c(F)c(F)c(F)c(F)c1F)c1ccc(NS(=O)(=O)c2cccs2)cc1 33412576 IAONEQOVWVPUEB-GYRAYZOKSA-N 475.420 4.008 50 1 JIGF CC(=O)NCCc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1F 587722242 XOXYJPHXNRJZFW-LAJNKCICSA-N 471.773 4.423 50 1 JIGF Oc1ccc2c3c1O[C@H]1c4[nH]c5cccc(N=C=S)c5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@@]314 100640667 STPBFHDXZHEIEM-CBTSXZFNSA-N 471.582 4.307 50 1 JIGF COc1cc(/C=N/NC(=O)CCn2cc(C)c3c(C)cccc32)ccc1OCc1cccnn1 115595805 VKPSTDVQDDRCOI-RWPZCVJISA-N 457.534 4.176 50 1 JIGF CC[C@]12CCC[N@@+]3([O-])C[C@@H](Br)[C@]4(C(=Nc5ccccc54)[C@@](Cl)(C(=O)OC)C1)[C@H]23 299806687 KYBDGGCCUMEBOX-XEFUVJGVSA-N 467.791 4.215 50 1 JIGF C/C1=C\CC(=O)/C=C/C=C\c2csc(n2)[C@@H](C)NC(=O)C[C@]2(CC1)[C@@H](C)C(=O)S[S@@]2=O 473114959 PPMWKMGSNPRMGG-JOODSJTOSA-N 478.661 4.291 50 1 JIGF Cc1c([C@]2(CBr)NCC(C)(C)c3cc4c(cc32)OCO4)cnn1-c1ccccc1 963390424 JINYCEIHCIWBPQ-HSZRJFAPSA-N 454.368 4.429 50 1 JIGF Cc1cc2c(cc1C)NC(c1ccc(C(=O)NNC(=S)Nc3ccc([N+](=O)[O-])cc3)cc1)N2 1911571058 JILUVJHJGXKYDV-UHFFFAOYSA-N 462.535 4.379 50 1 JIGF Cn1cncc1[C@](O)(CN1CCC(C#N)=C(c2cccc3ccccc23)C1)c1ccc(C#N)cc1 34036793 ROYSOBXGDVHDTQ-LJAQVGFWSA-N 459.553 4.364 50 1 JIGF O=C(COc1ccc(C(F)(F)F)cc1)NNC(=S)NCc1ccc(-c2ccccc2)cc1 96285282 SGDRQGYYZBQWBS-UHFFFAOYSA-N 459.493 4.447 50 1 JIGF COc1cc2c3c(c1)O[C@@](c1ccc([N+](=O)[O-])cc1)([C@H](Cl)C(=O)Nc1ccccc1)[C@@H](C2)C3=O 587418807 VJDABWPTFYJEGO-DNVKUUNQSA-N 478.888 4.492 50 1 JIGF CC(C)(C)OC(=O)N1CC[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@@H](Br)C1 587546283 VLMVETSJTUOYSI-BSRJHKFKSA-N 490.350 4.497 50 1 JIGF N#CC(=Cc1ccccc1)C(=O)NN=C(c1ccccc1)c1ccc(N2CCCCS2(=O)=O)cc1 2356429944 LOZGWJLPHIYUKK-UHFFFAOYSA-N 484.581 4.092 50 1 JIGF CC(C)[C@@H]1C=C[C@H](OO)[C@@H]2[C@H]3[C@](C)(CC[C@]12CBr)[C@@H](Br)C[C@@H](O)[C@@]3(C)O 2356604232 SLASZMTUABGCGQ-IVSJSRGLSA-N 496.280 4.380 50 1 JIGF CCOC(=O)/C(C#N)=C/[C@H](C(=O)N1c2ccccc2Sc2ccccc21)[n+]1ccc(OC)cc1 95593062 UWFLKHATQNJOEL-WTYVIMSDSA-N 472.546 4.366 50 1 JIGF O=C(N/N=C/c1ccc(Cl)cc1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1 29559985 KVYJMEJYRBQWIN-VOWJQMTESA-N 487.991 4.425 50 1 JIGF COc1cc2c(cc1OC)[C@](CCl)(C(C#N)=C1N(C)c3ccccc3N1C)N(C)[C@H](C)C2 962626960 GILXASVLANTTNJ-PUAOIOHZSA-N 452.986 4.336 50 1 JIGF O=C(Cn1c(C2CCNCC2)nc2cc(Cl)c(Cl)cc21)N/N=C/c1c[nH]c2ccccc12 28229803 MLWZLZBEWGXIHA-KVSWJAHQSA-N 469.376 4.442 50 1 JIGF Oc1ccc2c3c1O[C@@H]1c4[nH]c5cc(N=C=S)ccc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@@]314 100640659 HLCHHTQVTBACKD-HHPVDLARSA-N 471.582 4.307 50 1 JIGF O=C(CBr)c1ccc(O)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587537465 FRXJMQMLAXQPII-KNQAVFIVSA-N 455.260 4.378 50 1 JIGF Cc1c(O)ccc2c1[C@](CBr)(c1c(F)ccc(Cl)c1Cl)N[C@H](C(=O)O)C2 963491331 MCVZVQDCDVTQLK-KPZWWZAWSA-N 463.130 4.384 50 1 JIGF Cc1c(C(=O)N/N=C/c2ccccc2)nnc2c3c(-c4ccccc4)c(-c4ccccc4)nnc3nn12 28388771 OGVNFJUOVHGQTO-STBIYBPSSA-N 484.523 4.474 50 1 JIGF O=C(O)C[C@@H](CC(=O)NNC(=O)CCCCNc1ccccn1)c1ccc(-c2ccccc2)cc1 29566782 XMXSNMYAHVBHCD-HSZRJFAPSA-N 474.561 4.127 50 1 JIGF CCOCCOC(=O)/C(C#N)=C(\N[C@@H](c1ccccc1F)P(=O)(OCC)OCC)SC 103210790 HPUQNGLIXISQNA-CQGUWYRNSA-N 474.491 4.358 50 1 JIGF COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H](Br)C(C)(C)OC)[nH]c2c1 586970744 FQZOKJQRDCYBEF-QGZVFWFLSA-N 468.373 4.233 50 1 JIGF O=C(CBr)NC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587320320 FICXQWJYGSDFSA-UPVQGACJSA-N 484.321 4.297 50 1 JIGF C[C@@H]1C[C@H](C)[C@H](O)C(C#N)=CC=CC[C@H]([C@@H]2CCC[C@@H]2C(N)=O)OC(=O)C[C@H](O)[C@@H](C)C[C@H](C)C1 2356827675 IOHLCKBCGGSSCP-NOIBOHHTSA-N 488.669 4.036 50 1 JIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(CN2C(=O)c3ccccc3C2=O)N1 587672822 IITKOYYNBVINGW-GIPWTMENSA-N 496.174 4.009 50 1 JIGF Cc1c(C(=O)Cl)nnn1Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 587884608 OHNFNZMMFXRQNQ-UHFFFAOYSA-N 475.763 4.031 50 1 JIGF COc1ccc2c3c1O[C@H]1[C@@]4(OC)C=C[C@@]5(C[C@H]4[C@@H](C)N=C=S)[C@@H](C2)N(CC2CC2)CC[C@@]315 101617908 CBPASLHMRDUOQC-QFDAEFFJSA-N 464.631 4.187 50 1 JIGF Cc1ccc([C@@]2(CBr)c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N23)cc1F 962657557 CFWZOEVXNDAHNE-GOTSBHOMSA-N 457.343 4.419 50 1 JIGF COC(=O)c1cc(Br)c2[nH]c([C@H](Cc3c[nH]c4ccccc34)NC(=O)CCl)nc2c1 587009548 KSFJNQQMHNAMIR-KRWDZBQOSA-N 489.757 4.232 50 1 JIGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCn3nnc4c3-c3ccccc3CC4)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1772647408 HADLQSWHINBGFT-GXFDLFEUSA-N 481.593 4.268 50 1 JIGF CCN1C(=O)[C@@]2(C(C#N)=C(N)Oc3cc4oc(-c5ccccc5)cc(=O)c4c(O)c32)c2cc(C)ccc21 1857548523 JAORMBSGZGMUTI-GDLZYMKVSA-N 491.503 4.213 50 1 JIGF CCCCCCCCC1=C(O)C(=O)C2=C(OC(N)=C(C#N)[C@@H]2c2ccc([N+](=O)[O-])cc2)C1=O 1857773934 LEVZILJLLOEFMI-SFHVURJKSA-N 451.479 4.371 50 1 JIGF COC(=O)[C@@H]1C[C@@H](Br)C2=C3[C@@](C)(C[C@H](c4ccoc4)O2)[C@H](C(=O)O)CC[C@]31C 64539990 FEFMJOPUFJIWMP-FXQLTQNXSA-N 453.329 4.459 50 1 JIGF COc1cc2c3c(c1)O[C@@](CBr)(c1cc(OC)c(OC)cc1Cl)[C@@H](C2)C3=O 587415831 YTXSIBSJRHZZQY-RBZFPXEDSA-N 453.716 4.404 50 1 JIGF CS(=O)(=O)c1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587607908 OQKZWHKETMZFQC-KNQAVFIVSA-N 489.343 4.048 50 1 JIGF CC(=O)NCCc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1F 587720462 RPYOLQGAPORQQH-GTJPDFRWSA-N 471.773 4.423 50 1 JIGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(CS(=O)(=O)c2ccccc2)N1 587851349 VYUIUYQXHVCXKC-SGTLLEGYSA-N 491.220 4.187 50 1 JIGF O=C(NNS(=O)(=O)c1ccc(Cl)cc1Cl)c1cccnc1Nc1ccc(Cl)cc1 28641010 JIFRAKAHLPMFJX-UHFFFAOYSA-N 471.753 4.409 50 1 JIGF CC(C)c1n[nH]c2c1[C@@H](c1ccccc1OCC(=O)NN)N(c1ccc(-c3ccsc3)cc1)C2=O 144614857 DHZHKWIQYOMQDP-RUZDIDTESA-N 487.585 4.380 50 1 JIGF CC(=O)NCCc1ccc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1F 587725064 MZAWOPHAKWDRKV-GTJPDFRWSA-N 471.773 4.423 50 1 JIGF N#CC1=C(N)Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2[C@]12C(=O)Nc1c(Cl)cccc12 1857566798 SSRWPRVRUKIYTK-AREMUKBSSA-N 483.867 4.143 50 1 JIGF O=C(N/N=C\c1ccc(Cl)c(Cl)c1)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 473165435 CEBMUYRZSMKNET-LXXZAFCOSA-N 466.324 4.351 50 1 JIGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1c[nH]c(C(=O)N2CCCC2)c1 587541253 ACCRQBDTRQIYDA-RDPSFJRHSA-N 452.894 4.052 50 1 JIGF C[C@]12CCSSC[C@]3(CCCC4=C5C[C@H]1C[C@H](CO)[C@H]1CC=C[C@H](C4=O)[C@@]512)CCNC(N)=N3 85549420 ZDHOLSMBJYCLCM-ZKABVCCKSA-N 487.735 4.085 50 1 JIGF biogenic,in-vitro CC(C)[C@@H]1CC[C@H](O)[C@@H]2[C@@H]3[C@](C)(O)C(=O)C[C@H](Br)[C@@]3(C)CC[C@]12CBr 2356682942 BIVHKSWAKLEJQJ-PAOXORHWSA-N 480.281 4.314 50 1 JIGF C[C@](O)(C=C[C@H](Br)[C@@](C)(Cl)[C@@H](Br)CCl)CBr 2356844587 NXCMLIMTXQQDHL-AATLWQCWSA-N 461.847 4.452 50 1 JIGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(CCN2C(=O)c3ccccc3C2=O)N1 587687695 HHOMKCXJYSRTNJ-QKVFXAPYSA-N 465.750 4.243 50 1 JIGF Cc1nn(-c2ccccc2)c2nc(C(F)(F)F)cc(C(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)c12 1772638300 OXYKJDGQILCBEI-RPPGKUMJSA-N 468.395 4.420 50 1 JIGF Cc1cc(S(=O)(=O)C(F)(F)[C@H](F)Cl)c(C)cc1NC(=O)NC(=O)c1c(F)cccc1F 31500289 MYOVVWYJRZLWSL-INIZCTEOSA-N 484.830 4.444 50 1 JIGF C[C@@H]1Oc2ccc([C@@]3(CBr)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2NC1=O 587537836 KUGVBOPCOCTSEF-WZCFGHDDSA-N 496.313 4.364 50 1 JIGF CN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)NCCCN=C=S)cc3)nc2n1C1CCCC1 1857568755 WIJILBAGNFQXDR-UHFFFAOYSA-N 491.621 4.215 50 1 JIGF Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@@H](Cl)CCl)nc1-2 587008955 SPCPRMRJRXCVGW-LBPRGKRZSA-N 457.300 4.005 50 1 JIGF CCOC(=O)c1c(NC(=O)CCl)sc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C 587449751 COPGYDPJSBWRFS-DMZKTXOQSA-N 463.939 4.082 50 1 JIGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@]2(N1)/C(=C(/C#N)NCc1ccccn1)C(=O)c1ccccc12 962963747 ZTGAMXDSDCFNAO-HXLVOVAVSA-N 459.553 4.495 50 1 JIGF CC1(C)C(=O)C[C@@H]([C@@H]2CO2)O[C@@H]1CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 621431319 CYFLLCMWJWPNCD-SONWIMMPSA-N 452.667 4.105 50 1 JIGF CN1C(=O)C[C@@H]2CN[C@](CBr)(c3ccc(Br)cc3F)c3cccc1c32 963021628 GZWHOVJHGBXUIW-NSPYISDASA-N 468.164 4.280 50 1 JIGF O=C(O)COc1ccc(C2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)cc1C(=O)O 1857586825 AXUYXZILOWCIET-UHFFFAOYSA-N 458.507 4.333 50 1 JIGF CCCCCC[C@H](C)C=C(C)C=CC(=O)N[C@@H]1C[C@H](OC)O[C@@H]2[C@H](Cl)C(=O)C(Cl)=C[C@@]21O 2356469149 BQBNTNYXQBYKTD-LRBSPSSQSA-N 488.452 4.386 50 1 JIGF CCOc1cc(/C=N\NC(=O)Cc2ccccc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 33293695 BONWHZNBACQUGP-QRQIAZFYSA-N 459.546 4.412 50 3 JIGF COc1ccc(-c2cs/c(=N\NC(=O)c3ccc(O)cc3)n2-c2ccc(OC)cc2OC)cc1 103284860 WAMQMJXNRWGTPX-RFBIWTDZSA-N 477.542 4.183 50 1 JIGF CCOC(=O)C1([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CC1 587320344 FLJQQBWYYYFHOA-XMSQKQJNSA-N 463.299 4.367 50 1 JIGF C[C@@]12CCSSC[C@@H](NC(=N)N)CCCC3=C4C[C@H]1CC[C@H](CCCO)[C@]42CC3=O 2356350824 KEDRNTPYWJDOGH-QWEHLCMWSA-N 451.702 4.258 50 1 JIGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCN3CCN(c4ccccc4)CC3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 103106090 YQVYYJGIUSAKEH-JUSXBFSKSA-N 456.627 4.449 50 1 JIGF COc1cc2c3c(c1)O[C@](c1ccc(Br)cc1)([C@@H](Br)CC(=O)O)[C@@H](C2)C3=O 587415984 ZQYWDDVZANGNIF-UVFQYZLESA-N 496.151 4.339 50 1 JIGF CC(C)[C@@H]1CC[C@H](O)[C@H]2[C@@H]3[C@](C)(O)C(=O)C[C@H](Br)[C@@]3(C)CC[C@]12CBr 141236586 BIVHKSWAKLEJQJ-HYYVFGQNSA-N 480.281 4.314 50 1 JIGF CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](n2ccc(N)nc2=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C#N 253710469 WMSIRCDICHBPAB-CAMMJAKZSA-N 480.758 4.275 50 1 JIGF CCCc1c(O)ccc2c1O[C@@](c1ccc(OCC(=O)O)cc1)([C@@H](C)Br)CC2=O 587455380 BDVNYTAPWCNDGV-MCMMXHMISA-N 463.324 4.452 50 1 JIGF CCS(=O)(=O)N1CCc2cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 587608491 RAHZDNUWFOIWSV-RCZVLFRGSA-N 499.972 4.200 50 1 JIGF Oc1ccc2c3c1O[C@H]1c4[nH]c5cccc(N=C=S)c5c4C[C@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 253791603 STPBFHDXZHEIEM-FLXBVFITSA-N 471.582 4.307 50 1 JIGF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccc(O[C@H](C)C(=O)NN)cc1)CC2=O 587470457 NOWVIMZECNTXHK-XGCWNURASA-N 460.530 4.011 50 1 JIGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](N3CCN(C(=O)Nc4ccc(F)cc4)CC3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1857751669 USJQDXYIXWEYAI-LWCHGPQXSA-N 489.588 4.183 50 1 JIGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCN(C)Cc3ccccc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 71333823 PPFCXUFDQLEWFX-JSSMPDEPSA-N 459.583 4.260 50 1 JIGF Oc1ccc2c3c1O[C@@H]1c4[nH]c5cccc(N=C=S)c5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@@]314 100640665 STPBFHDXZHEIEM-ZGWQZBKRSA-N 471.582 4.307 50 1 JIGF C[C@H](Cl)[C@@]1(c2ccc(NS(C)(=O)=O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587606254 GOXNQDPWUZBZBP-WRPOGVCQSA-N 473.934 4.248 50 1 JIGF C[C@@H]1Cc2c3c(c(Cl)c(O)c2C(=O)O1)O[C@]1(C)[C@H](O)C[C@@H]2C(C)(C)C(=O)[C@H](Cl)C[C@]2(C)[C@H]1C3 2356706282 AKANQXGAUVUBPO-PWMPRVAFSA-N 497.415 4.450 50 1 JIGF COC(=O)[C@@H]1[C@@H](Br)C2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]34CCC(=O)O4)[C@@H]21 169302546 HHLSBBFXQCKCOX-BYIHNDEVSA-N 479.411 4.367 50 1 JIGF N#C[C@H](c1nnc2n1CCCCC2)[C@@]1(CCl)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962649222 ZQTUFCVBTLSINX-RGODFAACSA-N 487.051 4.493 50 1 JIGF O=C(N/N=C/c1ccccc1)c1ccc(Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1 1857586009 YKVIBWUHKJCFMC-VFCFBJKWSA-N 484.608 4.360 50 1 JIGF CCOCCOC(=O)/C(C#N)=C(\NCc1ccc(OCc2cnc(Cl)s2)c(OC)c1)SC 103278012 AGIUCDBKIMQYFY-KNTRCKAVSA-N 498.026 4.152 50 1 JIGF O=C(O)[C@@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@@](CCl)(Cc2cc(O)nc3ccccc23)N1 962718036 YFOHOZCHXZJSNK-RXVVDRJESA-N 468.834 4.374 50 1 JIGF N#CC1=C(N)Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2[C@H]1c1cccc([N+](=O)[O-])c1 1911581789 FMFHPSROCFCEDD-NRFANRHFSA-N 453.410 4.292 50 1 JIGF COc1cc2c3c(c1)O[C@](c1ccc([N+](=O)[O-])cc1)(C(Br)Br)[C@@H](C2)C3=O 587412940 FGORIBXZKMTQHC-UGSOOPFHSA-N 483.112 4.362 50 1 JIGF COc1cc2c3c(c1)O[C@@](CBr)(C1CCN(C(=O)OC(C)(C)C)CC1)[C@@H](C2)C3=O 587411657 FWWRSLVBKHCFBM-AOMKIAJQSA-N 466.372 4.223 50 1 JIGF CCC(CC)(C(=O)OC)[C@@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587538997 TXYOIGOOVIMZJW-JTSKRJEESA-N 463.324 4.467 50 1 JIGF Cc1cccc(C(=O)NNC(=O)c2ccc3c(c2)CO[C@@]3(CCCN(C)C)c2ccc(F)cc2)c1 1857641413 NHTYFSDJFPMEDU-NDEPHWFRSA-N 475.564 4.325 50 1 JIGF C[C@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)C2=CC[C@H](Br)C=C2)c1 166937195 AKYGBXZKHJOPDB-WMLDXEAASA-N 492.377 4.490 50 1 JIGF COc1ccc2c3c1O[C@H]1[C@@]4(OC)C=C[C@@]5(C[C@@H]4[C@@H](C)N=C=S)[C@H](C2)N(CC2CC2)CC[C@@]315 169728598 CBPASLHMRDUOQC-SKGUNSBLSA-N 464.631 4.187 50 1 JIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1cc(C#N)c(O)nc1CC[C@H]2Br 587681975 LZDVBPJZWNDCQG-CVFAGQLSSA-N 481.163 4.048 50 1 JIGF CC(=O)N1CCc2c(sc(NC(=O)[C@@H](C)Br)c2C(=O)c2ccccc2Cl)C1 13442664 XMZMVWOWQFMIKI-SNVBAGLBSA-N 469.788 4.259 50 1 JIGF C[C@@H]1C[C@H](C)[C@H](O)C(C#N)=CC=CC[C@H]([C@@H]2C[C@]2(C)C(=O)O)OC(=O)C[C@@H](O)[C@@H](C)C[C@H](C)C1 2356564175 UDZICKVESDOJCX-TWXSIIEXSA-N 475.626 4.245 50 1 JIGF CN1CCN(CCc2ccc(NC(=O)c3ccc4nc(/C=C/CBr)[nH]c4c3)cc2)CC1 586974070 QDBASIUUKQHUKM-NSCUHMNNSA-N 482.426 4.013 50 1 JIGF COc1cc2c3c(c1)O[C@@](c1ccccc1)([C@@H](Cl)C(=O)Nc1ccc4c(c1)OCO4)[C@@H](C2)C3=O 587417318 LGKXJKGLLZDXHR-ZNCVFPSASA-N 477.900 4.313 50 1 JIGF CC(=O)NCCc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1F 587559875 ZXGBOPCXLWBDIS-WIOPSUGQSA-N 469.896 4.306 50 1 JIGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(=O)CBr)cc1F 587894526 NMFMBPAUDNJLJC-UHFFFAOYSA-N 457.126 4.421 50 1 JIGF CCOC(=O)c1c(NC(=O)CCl)sc([C@]2(C)NCCc3cc4cccc(OC)c4nc32)c1C 963051575 YZGORYSYCKWRRU-XMMPIXPASA-N 488.009 4.377 50 1 JIGF CC1(C)CC2=C(C(C#N)(C#N)C(C#N)=C(N)O2)[C@@]2(C1)c1cccc(F)c1CCN2[C@@H]1CCSC1 962709490 OEXKQECBBWSHNQ-AKJBCIBTSA-N 475.593 4.216 50 1 JIGF Cc1cc(C)c2c(NC(=O)CCl)c([C@]3(C)N[C@H](C(=O)O)Cc4cc(F)ccc43)sc2n1 962899032 GUTCFXPQNKFCOE-OYHNWAKOSA-N 461.946 4.092 50 1 JIGF O=C1[C@@H]2Cc3nc[nH]c3[C@](CCCCCCCl)(c3cccc(Cl)c3)N2C(=O)[C@@H]2CCCN12 963204170 LKOGPMQCSSPNLD-SKPFHBQLSA-N 475.420 4.254 50 1 JIGF COc1ccccc1NC(=O)NNc1nc2ccccc2c(=O)n1-c1cccc(OC(C)C)c1 13779113 WLCXEIALXDMICW-UHFFFAOYSA-N 459.506 4.330 50 1 JIGF Cn1cc([C@@]2(CCl)c3scnc3C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C)c2ccccc21 963148230 PGZOCFMRDAMCMG-JTSKRJEESA-N 461.971 4.364 50 1 JIGF COc1ccc(C=NNC(=O)c2ccc(NC(=O)c3ccccc3Br)cc2)cc1 15989583 NGCCROHXEYJZRC-UHFFFAOYSA-N 452.308 4.474 50 1 JIGF aggregator O=C1Nc2cc(Br)ccc2/C1=C1/Nc2ccccc2/C1=N\OCCBr 40956646 MHHZZHOHSQZGSE-TXNUIROASA-N 463.129 4.354 50 1 JIGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n([C@H]3CCS(=O)(=O)C3)c1C)CC2=O 587493992 VLUZYMJSOXRZOT-HJPURHCSSA-N 465.999 4.222 50 1 JIGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cccc(C(=O)O)c2)N1 587673531 NTLZSDIDNRRIGJ-XTZNXHDOSA-N 457.137 4.459 50 1 JIGF COc1cc2c(cc1OC)[C@@]1(C=C(CCl)OCC1=O)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962682325 ZSVCJTVDVJQVAX-HSZRJFAPSA-N 495.881 4.338 50 1 JIGF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@](CBr)(c2ncc(C(F)(F)F)cc2Cl)N1 962893838 GHWINGABJIDYBI-LRDDRELGSA-N 467.644 4.130 50 1 JIGF CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@H](SSc2ccc([N+](=O)[O-])cn2)CC[C@H]3[C@@H]1C5 100792955 RAEKUJQUZFRYFZ-VCSUUASASA-N 457.577 4.174 50 1 JIGF CCOC(=O)c1c(NC(=O)CCl)sc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1C 587410134 LPVQVKGHBAYZBK-NRFANRHFSA-N 450.944 4.182 50 1 JIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CNC(=O)CCl)(c2ccc(Cl)cc2)N1 587684954 NFHQGNGSORWJRQ-NSPYISDASA-N 460.174 4.374 50 1 JIGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccccc1Cn1nccc1NC(=O)CCl 587879093 ITPHQILRQMFTAK-UHFFFAOYSA-N 489.790 4.126 50 1 JIGF C[C@@H]1C(=O)C(C#N)=C[C@]2(c3cccc(C(=O)O)c3)c3nc(Nc4ccccc4)ncc3CC[C@@H]12 1857620718 QDFHMMMQUODPHP-UWYNZWELSA-N 450.498 4.436 50 1 JIGF CCOC(=O)C(C)(C)[C@@]1(CBr)N[C@@H](C)Cc2ccc(F)c(Br)c21 587672144 DBCOLWNZXPLBKH-BTDLBPIBSA-N 451.174 4.302 50 1 JIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@@H](Br)S(C)(=O)=O)N1 587847701 GWPCJTKCAAVROU-CNOZUTPLSA-N 491.220 4.132 50 1 JIGF Cc1[nH]nc2c1[C@@](c1cc(N3CCC(C(=O)O)CC3)cc(C(F)(F)F)c1)(C(C)C)C(C#N)=C(N)O2 1772609479 OGZMFBFOBRMDGB-HSZRJFAPSA-N 489.498 4.066 50 1 JIGF COc1cc([C@H]2C(C#N)=C(N)Oc3c2ccc2cnccc32)cc(I)c1OC 40587745 HQHCJFPMHAOCDZ-GOSISDBHSA-N 485.281 4.075 50 1 JIGF CC1(C)C[C@@](O)([C@H](O)[C@@H]2CC[C@]3(C)[C@@H](Br)CC[C@@](C)(O)[C@@H]23)CC[C@@H]1Br 147042218 WRUVQRPAWFBJNC-OBUMVCGPSA-N 482.297 4.393 50 1 JIGF O=Cc1cc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1O 587537505 GNMLNXMOVUEXQP-DENIHFKCSA-N 455.260 4.162 50 1 JIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(O[C@H](C)C(=O)NN)cc2)N1 587751167 WQJXKWQJEKBLOT-RKPUJPDHSA-N 498.396 4.172 50 1 JIGF Cc1cc(C)c([C@@]2(CBr)N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)c(Br)c1 963491936 OGFUDTVBBSSRNS-MGPUTAFESA-N 483.200 4.317 50 1 JIGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OCCn3nnc4c3CCc3ccccc3-4)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1772577881 RVNOUBZVYNIPAE-JHNSQULLSA-N 481.593 4.268 50 1 JIGF COc1cc([C@@H]2Oc3c(OC)cc(/C=C/C=O)cc3[C@@H]2COC(=O)c2ccc(O)cc2)ccc1O 64380876 JRDSHOZYAFZUGI-SKBIIQSFSA-N 476.481 4.401 50 1 JIGF COc1cc(C(=O)c2cc3ccc(NC(=O)CI)cc3o2)cc(OC)c1OC 653806232 GXELNIALDMDELF-UHFFFAOYSA-N 495.269 4.063 50 1 JIGF COc1ccc2c(c1)[C@@](CBr)(c1ccc3c(c1)NC(=O)[C@@H](C)O3)N(C(C)C)CC2 962095574 VLOUDUVBNRVCBC-IQMFZBJNSA-N 459.384 4.320 50 1 JIGF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@H](c2cc([N+](=O)[O-])cc(CCl)c2O)N1 963179010 FNHQVDSVMCEVKS-CABCVRRESA-N 465.211 4.400 50 1 JIGF C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)C2=CC[C@@H](Br)C=C2)c1 166936862 AKYGBXZKHJOPDB-PBHICJAKSA-N 492.377 4.490 50 1 JIGF COC(=O)c1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587615376 XHKKBVQNONMZQB-UWJYYQICSA-N 475.316 4.492 50 1 JIGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(CCN2C(=O)c3ccccc3C2=O)N1 587689439 SLDAYYCNKXQUIG-LAJNKCICSA-N 465.750 4.243 50 1 JIGF O=C(CCCCCCC(=O)Nc1ccccc1O)N/N=C/c1cc(O)ccc1Br 95808526 CSPSZWZGINIOAU-OEAKJJBVSA-N 462.344 4.290 50 1 JIGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](CBr)(c2ccc3c(c2)NC(=O)[C@H](C)O3)N1 962941415 DTUJBQWMUKHDTH-OWOHRZCZSA-N 454.368 4.450 50 1 JIGF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@@](CCl)(c2cnc(N3CCCCC3)s2)N1 962966892 BBDUCHOLFWDGDK-ORAYPTAESA-N 462.349 4.146 50 1 JIGF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(c1ccccc1)[C@H](Cl)C(=O)Nc1ccc2c(c1)OCO2 963614918 ZTZPPECBSDEPJX-FQICASNESA-N 494.975 4.456 50 1 JIGF C[C@@]12CCSSC[C@@H](NC(=N)N)CCCC3=C4C[C@H]1CC[C@@H](CCCO)[C@]42CC3=O 2356350823 KEDRNTPYWJDOGH-NCZBYLFLSA-N 451.702 4.258 50 1 JIGF CCCCCC[C@H](C)C=C(C)C=CC(=O)N[C@@H]1CO[C@@H]2[C@@H](Cl)C(=O)C(Cl)=C[C@]2(O)C1 2356604747 FOYHOCBUHQKEDQ-SXTYZTMXSA-N 458.426 4.413 50 1 JIGF CC(=O)NCCc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587611117 FLQZOKUJDCXNRP-NFBKMPQASA-N 457.935 4.228 50 1 JIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(O[C@H](C)C(=O)NN)cc2)N1 587751169 WQJXKWQJEKBLOT-WHEFHEQHSA-N 498.396 4.172 50 1 JIGF CCOc1ccc2nc(Cl)c(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4oc3=O)cc2c1 1857749652 NJGGVVRSJARAGZ-BHGWPJFGSA-N 466.837 4.065 50 1 JIGF COc1ccccc1C(=O)Nc1ccc(C(=O)N/N=C/c2cc(Br)c(O)c(OC)c2)cc1 299872111 ZZUWYPBDCCCEGP-DHRITJCHSA-N 498.333 4.188 50 1 JIGF O=C1c2ccsc2C(=O)c2c(NCCBr)ccc(NCCBr)c21 26579297 BCJUVRMYBRSYQC-UHFFFAOYSA-N 458.175 4.137 50 1 JIGF c1cc(C2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)ccc1OCCN1CCNCC1 202395534 KYBJFUVGHCNVTB-UHFFFAOYSA-N 468.638 4.455 50 1 JIGF COc1ccc2nc(N3CCOCC3)c([C@@H]3C(C#N)=C(N)Oc4c3ccc3ccccc43)cc2c1 72122771 SFQIJFUWLGOSQE-RUZDIDTESA-N 464.525 4.451 50 1 JIGF O=C(N/N=C/c1cc(Br)c(O)c(Br)c1O)c1ccc(-c2cccnc2)cc1 95589029 AJNNBLCBRLEXNQ-AUEPDCJTSA-N 491.139 4.449 50 1 JIGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCOC(=O)[C@@H]3CCCC[C@@H]3C(=O)O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 103197537 AMRZDNUDTHXSMN-RQYRRZSXSA-N 466.571 4.061 50 1 JIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(CCN2C(=O)c3ccccc3C2=O)N1 587689441 SLDAYYCNKXQUIG-XUSGNXJCSA-N 465.750 4.243 50 1 JIGF Cc1ccc(S(=O)(=O)N2C[C@H](Br)[C@]3(C2)NCCc2cccc(-c4ccccc4)c23)cc1 962658176 BWBXADGQTABGLS-ZCYQVOJMSA-N 497.458 4.471 50 1 JIGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1nc[nH]n1 587689337 RUMPPMYJCPGERH-DGIBIBHMSA-N 452.759 4.130 50 1 JIGF CC(=O)c1ccc(-n2cc(CO[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)nn2)cc1 1857549467 LVSSAKYORQJFDW-HZTMJUPGSA-N 483.565 4.195 50 1 JIGF C=C1Cc2c(O)cc3c(c2O)C(=O)C2=C[C@H](Cl)C(C)(C)O[C@@]2(CC=C(C)CC[C@H]1O)C3=O 2356712879 QNUSKIGTELENRX-VDABOFBKSA-N 458.938 4.148 50 1 JIGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](c3ccc(CN4CCSCC4)n3C)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 49679384 WTFGPWGBULVCHZ-NCKFVDEJSA-N 462.656 4.497 50 1 JIGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(C(=O)O)cc2)N1 587673354 MFABIBYBUUQRRF-YPMLDQLKSA-N 457.137 4.459 50 1 JIGF O=C([C@@H]1Cc2ccccc2[C@@](CBr)(c2cc(Br)ccc2O)N1)C(F)(F)F 962769685 SYDAZUSWOWJVCH-YOEHRIQHSA-N 493.117 4.439 50 1 JIGF Oc1ccc2c3c1O[C@H]1c4[nH]c5c(N=C=S)cccc5c4C[C@]4(O)[C@@H](C2)N(CC2CC2)CC[C@@]314 169318164 STOXPPZNSYPOHZ-YJECHUCRSA-N 471.582 4.307 50 1 JIGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc([N+](=O)[O-])cc1)(C(Br)Br)O2 587376649 XUCMNHXAVHCRHD-QGZVFWFLSA-N 470.117 4.462 50 1 JIGF COC(=O)[C@H](C)[C@H]1CC[C@](C)([C@@H]2C[C@@]3(C)[C@H](C)CC4=C[C@]5(C)CC[C@]4(OO5)[C@@]3(C)O2)OO1 140452491 WRMNWGSPQJHCTP-SXTNATFLSA-N 450.572 4.438 50 1 JIGF CCOC(=O)[C@H](Br)[C@]1(c2ccccc2)c2cc(OC)c(OC)cc2C[C@H](C)N1C 962567909 KFSCOZWMDHVYBB-GNOCETLISA-N 462.384 4.150 50 1 JIGF CCN1C(=O)[C@]2(C(C#N)=C(N)Oc3cc4oc(-c5ccccc5)cc(=O)c4c(O)c32)c2cccc(C)c21 1857576016 VRWCWJPTPYYPMF-LJAQVGFWSA-N 491.503 4.213 50 1 JIGF COc1cccc(NC(=O)Nc2ccc(C(=O)NN=C3C(=O)Nc4ccc(Cl)cc43)cc2)c1 1857615157 DGDHQRAXJZJONL-UHFFFAOYSA-N 463.881 4.079 50 1 JIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)([C@@H](C#N)C(=O)NCc2ccccc2)N1 587687091 FIFCQOVCASTACB-JRQSSSKMSA-N 464.766 4.013 50 1 JIGF CC1(C)C(=O)C[C@@H]([C@H]2CO2)O[C@@H]1CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 621431318 CYFLLCMWJWPNCD-JBRSBNLGSA-N 452.667 4.105 50 1 JIGF COc1cc2c3c(c1)O[C@](CBr)(c1ccc(OC(F)F)c(OC)c1)[C@@H](C2)C3=O 587419322 BYGBEXNYSPPEAD-RNODOKPDSA-N 455.251 4.343 50 1 JIGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cccc(S(C)(=O)=O)c2)N1 587850016 NZDLOUIUMUEQQE-VOJFVSQTSA-N 491.220 4.164 50 1 JIGF C[C@]12C[C@H](N3CCOCC3)[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)CBr)CC[C@@H]12 13762198 XHQISVSCNQCZLZ-PMBZPZLSSA-N 482.503 4.281 50 1 JIGF Cc1ccccc1N1C(=O)[C@@H](Cl)[C@]12C(=O)Nc1c(Br)cc(Br)cc12 103222477 XACVYHKHKIKAHI-RHSMWYFYSA-N 470.548 4.322 50 1 JIGF CCC(CC)(C(=O)OC)[C@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587538996 TXYOIGOOVIMZJW-HTAPYJJXSA-N 463.324 4.467 50 1 JIGF CCOC(=O)[C@@]1([C@H](C)Br)c2ccc(C)cc2C[C@H](CC(=O)O)N1C(=O)OC(C)(C)C 963918073 XOLIGJXDWCXTJL-GZWGPKMKSA-N 484.387 4.173 50 1 JIGF COc1ccc(/C=N/NC(=O)CNC(=O)c2ccc(C)cc2)c(OCc2ccccc2Cl)c1 1857605866 KEAMBLJZZKRSNQ-CCVNUDIWSA-N 465.937 4.116 50 1 JIGF C=C[C@H](O)[C@H](CCOO[C@@H]1CC[C@]2(C)C(=CCC3=C4O[C@@H]5CO[C@]6(C)OC[C@]4(CC[C@@H]32)[C@H]56)C1)OC 2356511335 GSUWOLFPOHANSY-YCNNRIBBSA-N 488.621 4.218 50 1 JIGF CCOc1ccc(-c2nn(C(=O)CCCCCCCC(=O)NN)c(=O)c3ccccc23)cc1OCC 587671818 SCRSZHZQBPCVMS-UHFFFAOYSA-N 494.592 4.222 50 1 JIGF CCOC(=O)[C@@H]1CCC[C@H](Br)[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587685908 URXAFQXOHUHJMK-UEIBITKBSA-N 463.185 4.444 50 1 JIGF CC(=O)NCCc1ccc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)s1 587847526 LEMCTANQCFONHT-WYRIXSBYSA-N 459.812 4.345 50 1 JIGF COc1cc2c(cc1OC)[C@@](C)([C@@H](C)SC#N)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963773411 CICZKBANTBMFAA-SGANQWHYSA-N 463.559 4.271 50 1 JIGF N#CC1=C(c2c(-c3cc4ccccc4s3)n(CCCSC(=N)N)c3ccccc23)C(=O)NC1=O 34800328 QYBVZIIWBRIXMX-UHFFFAOYSA-N 485.594 4.473 50 1 JIGF Oc1ccc2c3c1O[C@@H]1c4[nH]c5cccc(N=C=S)c5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 36269759 STPBFHDXZHEIEM-YBJJANMISA-N 471.582 4.307 50 1 JIGF C=C(C#N)CN1C[C@H](OC[C@@]23C[C@@H]4[C@H](C)CC[C@H]4[C@]4(C=O)C[C@@H]2C=C(C(C)C)[C@@]34C(=O)O)OC[C@H]1C 101188260 MTGVMXPQKIAMSN-IDCMYZEKSA-N 496.648 4.054 50 1 JIGF CC1=C(CCCl)C(=O)N2CCC[C@]3(Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)[C@H]2N1 587327781 RPJXGRFFBRPYEF-GVXSCFBNSA-N 470.928 4.084 50 1 JIGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Br)cc1)([C@@H](Br)CC(=O)O)O2 587371732 FVRZMHHEJJHABG-QFBILLFUSA-N 483.156 4.439 50 1 JIGF COc1cc2c3c(c1)O[C@](c1ccc([N+](=O)[O-])cc1)([C@@H](Cl)C(=O)Nc1ccccc1)[C@@H](C2)C3=O 587418808 VJDABWPTFYJEGO-QXWFJRNPSA-N 478.888 4.492 50 1 JIGF COC1=CC(C)=C2O[C@]3(C[C@]2(OO)C1=O)[C@H](O)CC[C@H]1[C@]3(C)CC[C@@H]2C(C)(C)[C@@H](O)CC[C@]21C 2356333989 YSWYEMBQVGXRLL-BUPOEEDSSA-N 476.610 4.135 50 1 JIGF COC(=O)N(NC(=O)c1c(CN2CCNCC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 36126792 LXVHCKLEUVVBBN-UHFFFAOYSA-N 495.583 4.225 50 1 JIGF CC(=O)c1ccc2c(c1)[C@@](C1CC1)([C@@H](Cl)C(=O)C(F)F)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962635115 UGOKADXRVDLZQU-CEXJFXJFSA-N 485.911 4.183 50 1 JIGF COc1cccc(CCc2cc(O)c(-c3c(OC)cc([C@@H]4OO[C@@H]4CO)cc3OC)c(OC)c2)c1 2356489733 HVCTXCDEFSHFMW-SQHAQQRYSA-N 482.529 4.243 50 1 JIGF CC1(C)CN([C@H]2C[C@@]3(C)[C@@H](CC[C@H]4[C@@H]5CC[C@H](C(=O)CCl)[C@@]5(C)CC(=O)[C@@H]43)C[C@@H]2O)CCO1 13762209 NCVCFXXZQGVKRK-UHJLVQMDSA-N 480.089 4.082 50 1 JIGF O=C(Cc1csc2nc(-c3ccc(Br)cc3)cn12)N/N=C/c1ccc(O)cc1 28708075 NNOBEUCTYGOAMJ-LSHDLFTRSA-N 455.337 4.224 50 1 JIGF CC(=O)O[C@H]1C[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]2(C)[C@@H]2C[C@H](O)/C(=C/C=O)C(=O)O[C@@]12C 137185575 CSVCFXXXBLXLBZ-JWMVHILDSA-N 460.611 4.379 50 1 JIGF CCOC(=O)[C@@]12Cc3cc(F)cc(c3C1)C1(CC(CBr)C1)N2C(=O)OC(C)(C)C 962709806 OQKPSCWXGLHOLJ-BDDHGIISSA-N 468.363 4.477 50 1 JIGF COC(=O)[C@]1(CBr)CCCCC[C@]12N[C@H](C(=O)C(F)(F)F)Cc1ccccc12 962731682 SWTKIYAXNJHGQX-KFKAGJAMSA-N 462.306 4.046 50 1 JIGF Oc1ccc2c3c1O[C@H]1c4[nH]c5ccc(N=C=S)cc5c4C[C@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 253641112 PHACSLSFPGYKLR-FBZFJNBBSA-N 471.582 4.307 50 1 JIGF Oc1ccc2c3c1O[C@H]1c4[nH]c5cc(N=C=S)ccc5c4C[C@]4(O)[C@@H](C2)N(CC2CC2)CC[C@@]314 169372029 HLCHHTQVTBACKD-DXXVALNZSA-N 471.582 4.307 50 1 JIGF CS(=O)(=O)c1ccc([C@@]2(CSC#N)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587360501 ODQRMLOEPLQUSO-LADGPHEKSA-N 483.542 4.403 50 1 JIGF CC1(C)[C@H]2CC[C@@]1(C(=O)O)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)[C@H]2Br 587545995 UNEKRKQIADVTPC-CIZRULGWSA-N 473.319 4.377 50 1 JIGF Cc1ccccc1C(=O)NNC(=O)c1ccc2c(c1)CO[C@@]2(CCCN(C)C)c1ccc(F)cc1 1857638746 HOAKEDYWJYTYOQ-NDEPHWFRSA-N 475.564 4.325 50 1 JIGF C[C@H](NC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@@H]([C@@H]1C)[C@@]24OO3)c1ccccc1 504326909 ALHVKKXRLZRWRF-YEYAWTSTSA-N 487.593 4.395 50 1 JIGF biogenic CCS(=O)(=O)N1CCc2cc([C@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 587608490 RAHZDNUWFOIWSV-DHLKQENFSA-N 499.972 4.200 50 1 JIGF CS(=O)(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1CBr 587895816 JOHQCIOGLMZUTD-UHFFFAOYSA-N 489.218 4.002 50 1 JIGF O=C1c2ccccc2C(=O)N1CC[C@@]1(CBr)c2ccc(F)cc2C[C@@H]2CCCN21 963092188 AMCOCXIIAYVUDC-GAJHUEQPSA-N 457.343 4.123 50 1 JIGF O=C(N/N=C/c1cc(Br)c(O)c(Br)c1O)c1ccc(C(F)(F)F)cc1 95591826 VLGVJBJDORIVIK-AERZKKPOSA-N 482.050 4.406 50 1 JIGF O=C(CCCCBr)NCC1=Cc2cc(Br)ccc2O[C@@]1(O)C(F)(F)F 473088711 POXKBIAVFHUNIQ-OAHLLOKOSA-N 487.110 4.157 50 1 JIGF C[C@H](Cl)[C@@]1(c2ccc3c(c2)NC(=O)CO3)N[C@H](C)Cc2cc(Br)c(F)cc21 587689407 SDMXZPMBJGNJQT-NLQQUQSOSA-N 453.739 4.324 50 1 JIGF O=C(CCN1CCN(c2ccnc3cc(Cl)ccc23)CC1)N/N=C/c1ccccc1Cl 103248305 IULAGBYLVVXSNS-JVWAILMASA-N 456.377 4.204 50 1 JIGF COc1cc2c(cc1OC)[C@@](CBr)(c1ccc(N3CCCC3=O)cc1)N(C)[C@@H](C)C2 962621134 BAIZLSBCIJFUKH-UPCLLVRISA-N 473.411 4.346 50 1 JIGF COc1cccc(NC(=O)[C@@H](Cl)[C@@]2(c3ccccc3)NCCc3c2c(C(C)C)nn3C)c1 962918965 OIWOXBSIGYLTFQ-NOZRDPDXSA-N 452.986 4.188 50 1 JIGF C[C@H](CC(=O)N(C)[C@@H]1C[C@H](CCl)[C@H]2CC[C@H](c3nccs3)N2C1=O)C(Cl)Cl 2356796698 NLJRRIAWGZFANL-DHGKCCLASA-N 452.835 4.091 50 1 JIGF C[C@H](CC(=O)N[C@@H]1C[C@H](C(Cl)Cl)[C@H]2CC[C@H](c3nccs3)N2C1=O)C(Cl)Cl 2356800895 RFJXPGGWBASBCA-IYKVGLELSA-N 473.253 4.314 50 1 JIGF O=C1[C@@H](Cl)[C@H](c2ccc(O)cc2)N1c1nnc(CNc2nnc3c4ccccc4nc-3s2)s1 40407260 AUAISBFLBXDEIZ-RDJZCZTQSA-N 495.977 4.056 50 1 JIGF O=C1[C@@H](Cl)[C@H](c2ccccc2)N1c1nnc(CNc2nnc3c4ccccc4nc-3s2)s1 40916451 WNSNAGRUZGVOOS-RDJZCZTQSA-N 479.978 4.350 50 1 JIGF CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](O[Si](C)(C)C(C)(C)C)/C1=C/C#N 195356679 BKTNMVOFLGEWND-MCIABFCUSA-N 493.753 4.296 50 1 JIGF O=C(N/N=C/c1ccc(O)cc1)Nc1ccc(-c2nc(N3CCOCC3)c3sccc3n2)cc1 299835102 KKDISOUXWLKXQR-MFKUBSTISA-N 474.546 4.056 50 1 JIGF COc1cc(OCc2ccccc2)ccc1CN1CCN(C(=O)Oc2ccc([N+](=O)[O-])cc2)CC1 49766601 KDNIASXXWANUBP-UHFFFAOYSA-N 477.517 4.499 50 1 JIGF C=C(C#N)CN1C[C@H](OC[C@]23C[C@@H]4[C@H](C)CC[C@H]4[C@]4(C=O)C[C@H]2C=C(C(C)C)[C@@]34C(=O)O)OC[C@H]1C 101188271 MTGVMXPQKIAMSN-BKYBFCMQSA-N 496.648 4.054 50 1 JIGF O=C(N/N=C/c1ccc(Br)cc1O)c1ccc(Br)cc1Br 1857544883 SJUNNNSGLRWTHJ-CNHKJKLMSA-N 476.950 4.444 50 1 JIGF COC1=CC(C)=C2O[C@]3(C[C@]2(OO)C1=O)[C@H](O)CC[C@@H]1[C@]2(C)CC[C@H](O)C(C)(C)[C@H]2CC[C@]13C 2356333991 YSWYEMBQVGXRLL-SVTIOQHOSA-N 476.610 4.135 50 1 JIGF CCC[C@H](C[C@H](OC(C)=O)[C@H](Cl)Br)OC(=O)C(Br)Br 2356804878 ZMIXJOFTRLAWSP-WEDXCCLWSA-N 487.410 4.096 50 1 JIGF CCOc1c(SSc2cnn(-c3ccccc3)c(=O)c2OCC)cnn(-c2ccccc2)c1=O 62242155 JOHYWLFVXUHDOJ-UHFFFAOYSA-N 494.598 4.375 50 1 JIGF O=C([C@H]1NN2[C@H](N[C@H](c3cccs3)C[C@@H]2C(F)(F)F)[C@H]1Cl)N1CCC[C@@H]2CCCC[C@@H]21 195481658 CRMJZPWOTGBJOQ-DTQPDNRZSA-N 476.996 4.017 50 1 JIGF NNC(=O)c1ccc2nc(CSc3nnc(-c4ccc(Cl)cc4)n3Cc3ccco3)[nH]c2c1 586965524 KQCCZRBAYUQZHX-UHFFFAOYSA-N 479.953 4.012 50 1 JIGF COc1cc2c3c(c1)O[C@]1(CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]1Br)[C@@H](C2)C3=O 587418567 UBGBKDZDODWSPV-MAEZOLIKSA-N 452.345 4.022 50 1 JIGF CS(=O)(=O)N1CCCc2cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 587608952 UAPIRRDVVLALGS-RCZVLFRGSA-N 499.972 4.200 50 1 JIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)([C@@H]2CCCN2C(=O)C(F)(F)F)N1 587709919 OSXYBAMJUBGKCQ-WKFLNTIRSA-N 457.693 4.110 50 1 JIGF CN(C)CCSSCCN(C)C(=O)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1 618010330 SPVMMTWTYRDVGJ-NRFANRHFSA-N 461.653 4.056 50 1 JIGF O=C(NNc1nc(Nc2ccccn2)nc(Nc2c(Cl)cccc2Cl)n1)c1ccncc1 103218717 DEXGTIBNECRVJS-UHFFFAOYSA-N 468.308 4.213 50 1 JIGF Cc1nc(C)c([C@]2(CBr)N[C@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)o1 963181725 RBBVJQWCJJFXHP-MEDUHNTESA-N 467.669 4.201 50 1 JIGF CCOC(=O)[C@]1([C@@H](C)Br)c2ccc(C)cc2C[C@H](CC(=O)O)N1C(=O)OC(C)(C)C 963918107 XOLIGJXDWCXTJL-YGHRGLEHSA-N 484.387 4.173 50 1 JIGF COc1ccc2c3c1O[C@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42C=C[C@@]1(OC)[C@@H]([C@@H](C)N=C=S)C2 36311350 CBPASLHMRDUOQC-KVJFFINRSA-N 464.631 4.187 50 1 JIGF O=C(N/N=C/c1cc(Br)c(O)c(Br)c1O)c1ccc(Br)cc1 40900664 HKNUDJDAVYPTGD-NGYBGAFCSA-N 492.949 4.149 50 1 JIGF in-vivo C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(CN2C(=O)c3ccccc3C2=O)N1 587672824 IITKOYYNBVINGW-YBTHPKLGSA-N 496.174 4.009 50 1 JIGF COc1ccc2c(c1)[C@](/C=C(\NNC(=O)CC#N)c1ccccc1)(C(F)(F)F)N(C(C)C)CC2 962092167 PFOMFXUHZXUKAG-FVIVVMBBSA-N 472.511 4.295 50 1 JIGF CCOC(=O)C[C@]1([C@H](C)Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587319147 AJFQJDWKOFDCID-VTOVKPRRSA-N 451.288 4.366 50 1 JIGF Cn1c(=O)n(C)c2cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc21 587327051 OFQQYLPKDNDTQW-RDGATRHJSA-N 466.896 4.215 50 1 JIGF CCOC(=O)c1c(NC(=O)CCl)sc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1C 587410144 LPVQVKGHBAYZBK-OAQYLSRUSA-N 450.944 4.182 50 1 JIGF CNCCNC(=O)c1ccc(C2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)cc1 1857637753 VAPASJJMTYYTDS-UHFFFAOYSA-N 456.583 4.052 50 1 JIGF CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NN=CC1=Cc2ccccc2OC1 2356678328 AVMLVYBCAYBALB-JOCHJYFZSA-N 460.534 4.182 50 1 JIGF CC(C)(C)OC(=O)N[C@@H](CCCCCB(O)O)C(=O)Nc1cccc(Oc2ccccc2)c1 195130539 SFNACLZRNNCGRS-NRFANRHFSA-N 456.348 4.344 50 1 JIGF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@@](CBr)(c2cccc(Br)c2)N1 963231003 RNLGGWMVTHUSFX-AZUAARDMSA-N 476.168 4.235 50 1 JIGF O=C(O)c1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587538259 OJHGJEQWMISQLB-GCJKJVERSA-N 455.260 4.342 50 1 JIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CNC(=O)CCl)(c2ccc(Cl)cc2)N1 587682799 DHOABZCHBPSDHM-WYRIXSBYSA-N 460.174 4.374 50 1 JIGF CCCCNP(=O)(NCCCC)N1C(=O)NC(C)=C(C(=O)OCC)[C@@H]1c1ccccc1 84704858 IXGGBFPNFZEQFX-FQEVSTJZSA-N 450.520 4.478 50 1 JIGF COC(=O)c1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587615371 XHKKBVQNONMZQB-LAUBAEHRSA-N 475.316 4.492 50 1 JIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(/C(C#N)=C2\NC(=O)c3ccccc3N2)N1 587686310 CHUYVHVHEVRZAC-UTADFILSSA-N 475.749 4.147 50 1 JIGF O=C(N/N=C/c1cc(Br)c(O)c(Br)c1O)c1ccc2cc(O)ccc2c1 40950531 MYBCHHADPOJNDY-ODCIPOBUSA-N 480.112 4.246 50 1 JIGF C[C@H](NC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@H]([C@@H]1C)[C@@]24OO3)c1ccccc1 504326907 ALHVKKXRLZRWRF-IRQWSMAJSA-N 487.593 4.395 50 1 JIGF biogenic CCOC(=O)[C@]1([C@H](C)Br)c2ccc(C)cc2C[C@H](CC(=O)O)N1C(=O)OC(C)(C)C 963918098 XOLIGJXDWCXTJL-PGKMIFDNSA-N 484.387 4.173 50 1 JIGF C[C@@H]1[C@H](OC(=O)CCC(=O)NCC2CCCCC2)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@]42OO3 504699978 YTHIOLCNKYTWGD-SQYPSZRVSA-N 479.614 4.214 50 1 JIGF biogenic CC(=O)NCCc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587611123 FLQZOKUJDCXNRP-REWPJTCUSA-N 457.935 4.228 50 1 JIGF C[C@H]1CC(C)(C)N[C@@H](C[C@@H](O[P@@](N)(=O)N(CCCl)CCCl)c2ccccc2)O1 14243572 PDPLMKYBMAZTOG-VNWKHEKKSA-N 452.363 4.484 50 1 JIGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(CS(=O)(=O)c2ccccc2)N1 587848708 INYIXDXQTAQVTA-KPZWWZAWSA-N 491.220 4.187 50 1 JIGF CSC(SC)=C(C#N)C(=O)N/N=C(\C)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 653874476 CKXWHACQUWBPSM-YDZHTSKRSA-N 495.051 4.442 50 1 JIGF CCC[C@H](C[C@H](OC(C)=O)[C@@H](Cl)Br)OC(=O)C(Br)Br 2356804872 ZMIXJOFTRLAWSP-KHQFGBGNSA-N 487.410 4.096 50 1 JIGF C[C@@H]1Cc2cc([C@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)ccc2N1S(C)(=O)=O 587532392 MHVMWPXKJFCQNV-OYLFLEFRSA-N 459.995 4.376 50 1 JIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)([C@H](C#N)C(=O)NCc2ccccc2)N1 587686660 DFGUAAYUZBEMID-FQWGINHLSA-N 464.766 4.013 50 1 JIGF COC(=O)[C@H](Br)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 587875225 PLWOKYSWHUPSOO-LJQANCHMSA-N 469.162 4.313 50 1 JIGF Oc1ccc2c3c1O[C@H]1[C@H](OCc4ccc(N=C=S)cc4)CC[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 13740371 MQXHRAHADPPNRD-LIOZKPFLSA-N 490.625 4.276 50 1 JIGF C[C@H](Br)c1nc2ccc(C(=O)Nc3ccc(CCN4CCN(C)CC4)cc3)cc2[nH]1 587009000 QKCIUMCQOLSPRX-INIZCTEOSA-N 470.415 4.061 50 1 JIGF O=C1C[C@@](CCl)(c2ccc(CC(=O)N3CCOCC3)s2)Oc2c1ccc1c2CCCC1 587532221 OWUWGWNGEFPERV-XMMPIXPASA-N 459.995 4.128 50 1 JIGF Cn1cc([C@]2(CCl)c3scnc3C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C)c2ccccc21 963148228 PGZOCFMRDAMCMG-HTAPYJJXSA-N 461.971 4.364 50 1 JIGF CN1[C@@H]2CC[C@@H]1[C@H](C(=O)OCCc1ccc(N=C=S)cc1)[C@@H](OC(=O)c1ccccc1)C2 100645176 YFNOQEKRUIFWNP-LUKWVAJMSA-N 450.560 4.215 50 1 JIGF COC(=O)c1cc([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1O 587673126 KLXUEGIWIDOYSS-OVWNDWIMSA-N 487.163 4.253 50 1 JIGF COc1ccc(Br)cc1[C@]1(CBr)NC[C@@H]2CC(=O)N(C)c3cccc1c32 963037617 VSAAAPCNWOVFQE-FKIZINRSSA-N 480.200 4.150 50 1 JIGF CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@@H](Br)[C@H]2CC[C@]1(CS(=O)(=O)O)C2(C)C 587491116 IOMHYVQJNYTDOU-BLEKSLEDSA-N 487.412 4.136 50 1 JIGF C[C@H](Oc1ccc([C@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1)C(=O)NN 587740423 AUOPLLLBRFHTTP-TWKFVSLJSA-N 498.396 4.172 50 1 JIGF O=C(Nc1ccc(Cl)cc1)Nc1ccc(C(=O)NN=C2C(=O)Nc3ccc(F)cc32)cc1 1857544396 JLOUTFSKKAUKIC-UHFFFAOYSA-N 451.845 4.209 50 1 JIGF Oc1ccc2c3c1O[C@@H]1c4[nH]c5c(N=C=S)cccc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 36269756 STOXPPZNSYPOHZ-YBJJANMISA-N 471.582 4.307 50 1 JIGF CCOC(=O)N1CCC2=C(C#N)C(=N)C(C#N)(C#N)[C@H](c3ccc(OC(C)C)c(OCC)c3)[C@H]2C1 169686885 GOCGUMWVXNZYKF-NZQKXSOJSA-N 475.549 4.322 50 1 JIGF CN1CCN(CCc2ccc(NC(=O)c3ccc4nc([C@H](Cl)CCl)[nH]c4c3)cc2)CC1 587008311 NPATYTUKDJMKSO-LJQANCHMSA-N 460.409 4.124 50 1 JIGF C[C@H](CSSCCN(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1nc(Cc2ccccc2)cs1 618018351 ZBUBPKAKVAMVAN-XLIONFOSSA-N 492.736 4.243 50 1 JIGF Cc1cc([C@]2(CCl)N[C@H](C(=O)O)Cc3c(C(F)(F)F)cc(F)cc32)c(C)n1-c1ccon1 962714816 VWLNQBYAPSFXDW-PXNSSMCTSA-N 471.838 4.321 50 1 JIGF O=C(NC(=O)c1c(F)cccc1F)Nc1ccc([S@](=O)C(F)(F)[C@H](F)Cl)cc1F 31500372 XNWHILOULBJPKV-MLNJSSBLSA-N 458.767 4.301 50 1 JIGF COc1ccc(Cl)cc1C#Cc1ccc(-n2c(SCC(=O)NN)nnc2-c2ccccc2)cc1 587918882 BHTVAEAQWMEKRT-UHFFFAOYSA-N 489.988 4.078 50 1 JIGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc3c(c1)C[C@@H](C)N3S(C)(=O)=O)CC2=O 587490289 WUKPGPOLZQYJOH-FATZIPQQSA-N 463.983 4.155 50 1 JIGF Oc1ccc2c3c1O[C@H]1c4[nH]c5ccc(N=C=S)cc5c4C[C@@]4(O)[C@H](C2)N(CC2CC2)CC[C@]314 136068396 PHACSLSFPGYKLR-OAHAWELDSA-N 471.582 4.307 50 1 JIGF CC(=O)NCCc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1F 587720468 RPYOLQGAPORQQH-QKVFXAPYSA-N 471.773 4.423 50 1 JIGF CCN(c1ccc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1)S(C)(=O)=O 587839670 HVLJVBBFVFHHPX-RNODOKPDSA-N 489.838 4.391 50 1 JIGF COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42C=C[C@@]1(OC)[C@@H]([C@@H](C)N=C=S)C2 26383481 CBPASLHMRDUOQC-ZWSVRIIDSA-N 464.631 4.187 50 1 JIGF O=Cc1coc2c(CCl)cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2c1=O 587886730 WOXKJWHZSZBANI-UHFFFAOYSA-N 462.716 4.362 50 1 JIGF CC(C)(C)OC(=O)N[C@H](CCCCCB(O)O)C(=O)Nc1cccc(Oc2ccccc2)c1 195130548 SFNACLZRNNCGRS-OAQYLSRUSA-N 456.348 4.344 50 1 JIGF Cc1cc([C@@]2(CBr)N[C@H](C(=O)O)Cc3cc(F)ccc32)ccc1Br 962899103 OFDFYCZXXHSJST-FUHWJXTLSA-N 457.137 4.134 50 1 JIGF O=C(CN(/N=C/c1cccc(Cl)c1)C(=O)c1ccncc1)N1CCN(c2ccc(Cl)cc2)CC1 28344293 UCUVTRGLUIGUPO-STBIYBPSSA-N 496.398 4.214 50 1 JIGF COc1cc([C@H]2Oc3c(OC)cc(/C=C\C=O)cc3[C@@H]2COC(=O)c2ccc(O)cc2)ccc1O 238763209 JRDSHOZYAFZUGI-HSFJAMQXSA-N 476.481 4.401 50 1 JIGF COc1cc2c3c(c1)O[C@]1(CC[C@H](NC(=O)OC(C)(C)C)C[C@H]1Br)[C@@H](C2)C3=O 587418565 UBGBKDZDODWSPV-IWIMFLECSA-N 452.345 4.022 50 1 JIGF Cc1ccc(S(=O)(=O)C[C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587850828 SMUAESPJKKRHIS-BFUOFWGJSA-N 460.796 4.339 50 1 JIGF Cc1cc([S@](=O)C(F)(F)[C@H](F)Cl)ccc1NC(=O)NC(=O)c1c(F)cccc1F 31500395 JTIPEMUXUZKVLM-PEGYKEAPSA-N 454.804 4.470 50 1 JIGF COc1ccc(/C=C/C(=O)Oc2cccc(/C=N\NC(=O)COc3c(C)cccc3C)c2)cc1 33344786 YMVADLKWDLGEFH-UKPRZSECSA-N 458.514 4.460 50 1 JIGF Cn1c(COP(=O)(N(CCCl)CCCl)N(CCCl)CCCl)ccc1[N+](=O)[O-] 44247069 XJSOQYGIBFPSST-UHFFFAOYSA-N 484.148 4.117 50 1 JIGF COC(=O)c1cc([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1O 587673644 OXBVBDDTBWYKBR-OVWNDWIMSA-N 487.163 4.253 50 1 JIGF CC1=CC[C@@]23OC(C)(C)[C@@H](Cl)C=C2C(=O)c2c(cc(O)c(c2O)CC(CO)=CCC1)C3=O 2356712651 JSUXCYMEGPVLPJ-UQBPGWFLSA-N 458.938 4.150 50 1 JIGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H](C[C@@H](C)C(=O)O)C/C=C/C=C(/C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 38217261 RLHYVCYVLRHHCK-SKYXJYGGSA-N 463.615 4.245 50 1 JIGF CC(C)[C@@H]1C=C[C@H](OO)[C@H]2[C@@H]3[C@](C)(O)[C@@H](O)C[C@H](Br)[C@@]3(C)CC[C@@]21CBr 49762557 SLASZMTUABGCGQ-VHXYLUBJSA-N 496.280 4.380 50 1 JIGF C/C(NNC(=O)c1ccc(C(=O)O)cc1)=C1/C(=O)N(c2ccc3c(c2)CCC3)c2ccccc21 58590482 VHTWJSWBUUJUPI-JLPGSUDCSA-N 453.498 4.217 50 1 JIGF CCOCCOC(=O)/C(C#N)=C(/CC)NCc1ccc(OCc2cnc(Cl)s2)c(OC)c1 103281017 CEZOVHRYDHDQSP-ZCXUNETKSA-N 479.986 4.241 50 1 JIGF O=C([C@@H]1Cc2ccccc2[C@@](CCl)(c2ccc(I)cc2)N1)C(F)(F)F 962729715 JVQAFGRRYJEZML-DOTOQJQBSA-N 479.667 4.419 50 1 JIGF Oc1ccc2c3c1O[C@H]1c4[nH]c5cc(N=C=S)ccc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 13651051 HLCHHTQVTBACKD-NVSKSXHLSA-N 471.582 4.307 50 1 JIGF CSCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 40449919 VGEUQJLFIRSAFP-XGQKBEPLSA-N 499.044 4.056 50 1 JIGF CCCOc1cccc2c1C(=O)c1c(OCCC)cc(NC(=O)CBr)cc1C2=O 206570412 GUGRCKSNDDNNBD-UHFFFAOYSA-N 460.324 4.373 50 1 JIGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H](C[C@@H](C)C(=O)O)C/C=C\C=C(\C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 169359518 RLHYVCYVLRHHCK-QLJYPSAHSA-N 463.615 4.245 50 1 JIGF CCCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]21C 253635219 DERCOWNWEPPIHD-OCTBHDBUSA-N 481.004 4.493 50 1 JIGF O=C(N/N=C/c1cn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nc1-c1cccc(Cl)c1)c1ccco1 473144958 AZDRLFVUMAQPLC-FOKLQQMPSA-N 480.824 4.366 50 1 JIGF CCOC(=O)[C@H](c1nc(C)cs1)[C@@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587610809 HFSLCDFPNWSNBK-STSQHVNTSA-N 473.934 4.443 50 1 JIGF Cc1ccc(S(=O)(=O)C[C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587845497 AZKUATVXJXORCR-DJJJIMSYSA-N 460.796 4.339 50 1 JIGF COc1ccc(C(=O)NNC(=O)c2ccc3c(c2)CO[C@]3(CCCN(C)C)c2ccc(F)cc2)cc1 1857755362 WOTJUFUZFZTDMO-MUUNZHRXSA-N 491.563 4.025 50 1 JIGF O=C1[C@@H](Cl)[C@@H](c2ccc(O)cc2O)N1c1nnc(Cn2c3ccccc3c3ccccc32)o1 53294024 HFGYWJCLKNQFKN-FCHUYYIVSA-N 460.877 4.332 50 1 JIGF CCOc1cc(/C=N/NC(=O)c2ccc(OCc3cc(OC)c(OC)c(OC)c3)cc2)ccc1O 473146099 CQELEBXYWGVLIV-JFLMPSFJSA-N 480.517 4.160 50 1 JIGF Cc1ncsc1[C@@]1(CNC(=O)CCCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587377707 SNZYDJMLXPVUHZ-OFNKIYASSA-N 474.941 4.296 50 1 JIGF COc1cc2c3c(c1)O[C@](c1ccccc1)([C@H](Cl)C(=O)Nc1ccc4c(c1)OCO4)[C@@H](C2)C3=O 587417310 LGKXJKGLLZDXHR-FODJJAHYSA-N 477.900 4.313 50 1 JIGF CC(C)(C)[Si](OCc1cnn(Cc2ccccc2)c(=O)c1)(c1ccccc1)c1ccccc1 299856206 CIWLGAVQFFAPNT-UHFFFAOYSA-N 454.646 4.368 50 1 JIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(S(C)(=O)=O)cc2)N1 587850796 RYSFXIFJVSJFHO-ADLMAVQZSA-N 491.220 4.164 50 1 JIGF O=C([C@H]1Cc2ccccc2[C@@](CBr)(c2cc(Br)ccc2O)N1)C(F)(F)F 962769678 SYDAZUSWOWJVCH-PBHICJAKSA-N 493.117 4.439 50 1 JIGF CC(C)(C)OC(=O)N1CC[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@H](Br)C1 587546292 VLMVETSJTUOYSI-STSQHVNTSA-N 490.350 4.497 50 1 JIGF COC(=O)C(C)(C)c1ccc([C@@]2(CCCCl)N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)cc1 963529753 XJCRFWSAIOOXML-UQBPGWFLSA-N 459.970 4.013 50 1 JIGF CC(C)CN(NC(=O)c1cccc2c1C(=O)c1ccccc1-2)c1nc(C#N)ncc1Br 58568539 OLZWXXALHGMANJ-UHFFFAOYSA-N 476.334 4.130 50 1 JIGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cccc(S(C)(=O)=O)c2)N1 587850015 NZDLOUIUMUEQQE-BBATYDOGSA-N 491.220 4.164 50 1 JIGF COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc2nc(CCl)oc12 587886077 APUAIIHKDVPQTE-UHFFFAOYSA-N 465.720 4.370 50 1 JIGF COc1ccccc1C(=O)[C@H](Cl)[C@]1(c2ccccc2OC)N[C@H](C(=O)O)Cc2cc(F)ccc21 962893065 FYFDINCFDKFYSR-RJWMVNQGSA-N 483.923 4.176 50 1 JIGF CN(C)CCCNC(=O)c1cccc(NC(=O)Nc2ccc(N(CCCl)CCCl)cc2)c1 66103465 XQHGTIKVTJNDDJ-UHFFFAOYSA-N 480.440 4.296 50 1 JIGF COC(=O)C[C@H](O)[C@H]1OCC/C(=C\COCc2ccccc2)[C@H]1O[Si](C)(C)C(C)(C)C 194832327 NZCHRBWJTJGDAI-LQFGXACBSA-N 450.648 4.233 50 1 JIGF O=C(CCl)NC[C@]1(c2cccs2)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962638610 LMYTUTLUKZTJLY-SQJMNOBHSA-N 452.023 4.094 50 1 JIGF C[C@@H]1C[C@H](C)[C@H](O)C(C#N)=CC=CC[C@H]([C@@H]2C[C@]2(C)C(=O)O)OC(=O)C[C@@H](O)[C@H](C)C[C@H](C)C1 2356564171 UDZICKVESDOJCX-BJADPATASA-N 475.626 4.245 50 1 JIGF CCOC(=O)c1c(C)[nH]c([C@]2([C@@H](C)Cl)N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c1C 962968367 OKJXYYLMUVAVMB-GYPBFWFCSA-N 475.319 4.210 50 1 JIGF CN1C(=O)[C@@]2(C(C#N)=C(N)Oc3cc4oc(-c5ccccc5)cc(=O)c4c(O)c32)c2cc(Cl)ccc21 1857601209 GPWDAGUGPSZMMF-HHHXNRCGSA-N 497.894 4.168 50 1 JIGF COC(=O)[C@H]1C[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC(=C(C)C)C1=O 196925878 JKCQDUKWBXUIQR-RDPSFJRHSA-N 450.651 4.420 50 1 JIGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cccc(C(=O)O)c2)N1 587673532 NTLZSDIDNRRIGJ-YPMLDQLKSA-N 457.137 4.459 50 1 JIGF O=C(NN=C1C[C@@H](c2ccccc2)N[C@@H](c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 1772621162 MUMOGPKSBMJVAC-SZPZYZBQSA-N 459.462 4.455 50 1 JIGF O=C(CCN1CCN(c2ccnc3cc(Cl)ccc23)CC1)N/N=C/c1c[nH]c2ccccc12 103248285 XBCPRTCXYDKPEP-STBIYBPSSA-N 460.969 4.032 50 1 JIGF CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc(N(CC)S(C)(=O)=O)cc1)CC2=O 587490907 ZYIVNDUOAYPEJC-JOCHJYFZSA-N 451.972 4.230 50 1 JIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc3c(c2)NC(=O)CO3)([C@@H](C)Cl)N1 587689170 QLZDEBFMOXRXQT-HZNYWTHISA-N 453.739 4.324 50 1 JIGF O=C(O)c1ccc([C@]2(CBr)N[C@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)cc1 963177201 JHMHYBIMKHEMDH-YJBOKZPZSA-N 492.675 4.294 50 1 JIGF Oc1ccc2c3c1O[C@H]1[C@H](OCc4ccc(N=C=S)cc4)CC[C@@]4(O)[C@H](C2)N(CC2CC2)CC[C@]314 100729903 MQXHRAHADPPNRD-XYNQSRFLSA-N 490.625 4.276 50 1 JIGF C[C@H](Cl)[C@@]1(c2ccc3c(c2)NC(=O)CO3)N[C@H](C)Cc2ccc(F)c(Br)c21 587689171 QLZDEBFMOXRXQT-NLQQUQSOSA-N 453.739 4.324 50 1 JIGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(CBr)cc2c1OCO2 587876821 OWTXHRRIHUPXBB-UHFFFAOYSA-N 455.135 4.327 50 1 JIGF COC(=O)N/N=C/c1oc(-c2cccc([N+](=O)[O-])c2)c(-c2cccc([N+](=O)[O-])c2)c1[N+](=O)[O-] 73402827 XAWZFAJMUKBZDF-KEBDBYFISA-N 455.339 4.028 50 1 JIGF Cc1ccc(S(=O)(=O)C[C@@]2(CCl)c3cccc(F)c3CCN2[C@H]2CCSC2)cc1 962698049 CQTBBGGOYDLURD-JTSKRJEESA-N 454.032 4.406 50 1 JIGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(I)cc1)O2 587387253 PDODBSPRWHYNOH-QGZVFWFLSA-N 472.120 4.437 50 1 JIGF O=C(Nc1nc2ccc(Cl)cc2s1)NN1C(=O)[C@H](Cl)[C@H]1c1ccc([N+](=O)[O-])cc1 1857611808 IBSDFSOQMLIEDR-ZIAGYGMSSA-N 452.279 4.085 50 1 JIGF O=C([C@H]1NN2[C@@H](N[C@@H](c3cccs3)C[C@@H]2C(F)(F)F)[C@@H]1Cl)N1CCC[C@@H]2CCCC[C@@H]21 169355958 CRMJZPWOTGBJOQ-AKCXZPCTSA-N 476.996 4.017 50 1 JIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H](Cc2ccccc2)NC(=O)CCl)N1 587685376 PTWSRRYGMOLHPD-JRQSSSKMSA-N 453.783 4.304 50 1 JIGF CCOC(=O)[C@@H]1CCC[C@H](Br)[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587685907 URXAFQXOHUHJMK-ROYYDZJXSA-N 463.185 4.444 50 1 JIGF COc1cc2c3c(c1)O[C@](c1ccc(Cl)cc1)([C@H](Br)CC(=O)O)[C@@H](C2)C3=O 587413329 GUUUSQUYDRRMOF-NBQZKYEYSA-N 451.700 4.230 50 1 JIGF O=C(c1ccncc1)N(/N=C/c1c[nH]nc1-c1ccc(Cl)cc1)C(=O)c1ccc([N+](=O)[O-])cc1 653778073 OGNAJRLPWAQJBK-MZJWZYIUSA-N 474.864 4.350 50 1 JIGF CC(=O)O[C@@H]1C[C@H]2[C@](C)(CC[C@H]3C(C)(C)CCC[C@]32C)[C@@H]2C[C@H](O)C(=CC=O)C(=O)O[C@@]21C 2356581618 CSVCFXXXBLXLBZ-VIAKIJQQSA-N 460.611 4.379 50 1 JIGF O=C(CCl)NC[C@]1(c2cccs2)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962638609 LMYTUTLUKZTJLY-PXDATVDWSA-N 452.023 4.094 50 1 JIGF CC[C@]1(C#N)[C@H](P(=O)(c2ccccc2)c2ccccc2)[N@]1S(=O)(=O)c1ccc(C)cc1 1857554657 BXUHITINQNYZKT-GNKBHMEESA-N 450.500 4.012 50 1 JIGF C/C(=N\NC(=O)CC#N)[C@H](CN1CCCCC1)[C@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 38807372 FXTJOKZLPUSUGR-GLOSQIAKSA-N 486.572 4.138 50 1 JIGF CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OC(C)(C)C)C[C@H]1Br)CC2=O 587457659 ABCMANDWNIFKIR-UTKZUKDTSA-N 454.361 4.453 50 1 JIGF COc1ccc(C[C@H]2C[C@H](n3cc(C)c(O)nc3=O)O[C@@H]2CO[Si](C)(C)C(C)(C)C)cc1OC 1772638343 KYSHAVOTBZKYGN-VLCRHTCISA-N 490.673 4.443 50 1 JIGF COC(=O)c1ccc(-c2cc(C#N)cc([C@@]3(C(C)C)C(C#N)=C(N)Oc4n[nH]c(C)c43)c2)s1 263620321 CTJJXDPGSNOYMV-DEOSSOPVSA-N 459.531 4.133 50 1 JIGF in-vitro COc1ccc2c(c1)CCN1O[C@@]3(C[C@H]21)[C@H](F)O[C@@H]1O[C@@]2(C)CC[C@H]4[C@H](C)CC[C@@H]3[C@@]14OO2 473146049 CHSWVAOWRAPJFP-AEXXXHFRSA-N 461.530 4.210 50 1 JIGF C[C@@]1(c2cc3c(cc2NC(=O)CCl)OCO3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587545612 RTRHMFJNPXGGFP-URXFXBBRSA-N 467.861 4.175 50 1 JIGF CC[C@]12CCCN3C[C@@H](Br)[C@]4(C(=Nc5ccc([N+](=O)[O-])cc54)[C@@](Cl)(C(=O)OC)C1)[C@@H]32 27204445 KCVQAVGUCPXNCN-CRSFFPMXSA-N 496.789 4.111 50 1 JIGF COC(=O)[C@H]1[C@@H](c2ccc(I)cc2)C[C@H]2CC[C@@H]1N2CCCBr 36271246 NBDQDRSEYYQZOF-NCOADZHNSA-N 492.195 4.186 50 1 JIGF CCCCCCN1C(=O)/C(=N\NC(=O)c2ccccc2)c2cccc(I)c21 40859901 WRNKDAJJGAPDEA-NKFKGCMQSA-N 475.330 4.352 50 1 JIGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cccc(S(C)(=O)=O)c2)N1 587850884 TYEHBFAQNMOTAC-VOJFVSQTSA-N 491.220 4.164 50 1 JIGF CCOC(=O)[C@@]1([C@H](C)Br)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963832369 OTZBTTIBLKSCDC-WNSKOXEYSA-N 457.368 4.434 50 1 JIGF COc1cc(/C=C(\C#N)C(=O)Nc2nncs2)ccc1OCCOc1c(C)cccc1C 13584638 WKLBUWJYBQFFGU-WOJGMQOQSA-N 450.520 4.167 50 1 JIGF CN1C(=O)C[C@H]2CN[C@](CBr)(c3ccc(Br)cc3F)c3cccc1c32 963021626 GZWHOVJHGBXUIW-JEOXALJRSA-N 468.164 4.280 50 1 JIGF C[C@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]2(C)[C@@]1(OC(=O)C1CC1)C(=O)CCl 299804828 YCWDCICZLKVZPD-UPJIIFKKSA-N 478.988 4.103 50 1 JIGF CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2ccc(C(=O)NN)cc2[nH]1 587142135 KJKPKTPSMZDKGO-LIRRHRJNSA-N 489.935 4.088 50 1 JIGF CN1C(=O)C=C[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](CC[C@@]4(O)C#CCCI)[C@H]3CC[C@@H]12 26002634 QSOSGQIELFNFDC-RFGFHXCZSA-N 481.418 4.185 50 1 JIGF CCOc1ccc2ccccc2c1C(=O)N1CCC(C(=O)NCCSSCCN(C)C)CC1 618009062 RDCZUKCMZQUQQO-UHFFFAOYSA-N 489.707 4.150 50 1 JIGF O=C(N/N=C/c1cccc(Br)c1)c1nc(-c2cc3ccccc3oc2=O)cs1 1857554289 LBNFOQAQBGEAFZ-LSHDLFTRSA-N 454.305 4.443 50 1 JIGF Cc1cc2nc(-c3ccc(C(=O)NNC(=S)Nc4cccc([N+](=O)[O-])c4)cc3)[nH]c2cc1C 1857563635 OLNURVGTPYSPCE-UHFFFAOYSA-N 460.519 4.386 50 1 JIGF Cc1c(C(=O)NN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C(C)(C)C)ccc2c1CC(C)(C)O2 103205484 IDIDHMIQAUWWQE-UHFFFAOYSA-N 470.482 4.111 50 1 JIGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(CN2C(=O)c3ccccc3C2=O)N1 587671685 ADBUUZBOAMEBMI-YBTHPKLGSA-N 496.174 4.009 50 1 JIGF O=C([C@@H]1Cc2ccccc2[C@](CCl)(c2ccc(I)cc2)N1)C(F)(F)F 962729717 JVQAFGRRYJEZML-RDJZCZTQSA-N 479.667 4.419 50 1 JIGF O=C([C@@H]1Cc2ccccc2[C@@](CBr)(c2cccc(Br)n2)N1)C(F)(F)F 962729876 KJYHJECKUFQYCP-LRDDRELGSA-N 478.106 4.128 50 1 JIGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(O)c(C=O)c2)N1 587673900 RHEATSWKCBNHIU-YPMLDQLKSA-N 457.137 4.279 50 1 JIGF CC1(C)CC2=C(C(C#N)(C#N)C(C#N)=C(N)O2)[C@@]2(C1)c1cccc(F)c1CCN2[C@H]1CCSC1 962709521 OEXKQECBBWSHNQ-YHAMSUFESA-N 475.593 4.216 50 1 JIGF NNC(=O)c1ccc2[nH]c(-c3ccc(S(=O)(=O)Nc4ccccc4Oc4ccccc4)cc3)nc2c1 586949251 RKOCMUZCAATQCI-UHFFFAOYSA-N 499.552 4.427 50 1 JIGF CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc3c(c1)CCN3S(=O)(=O)CC)CC2=O 587490527 HNPOSEOAUXJHSA-HSZRJFAPSA-N 463.983 4.156 50 1 JIGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc3c(c1)CCCN3S(C)(=O)=O)CC2=O 587491089 IDURONGFCAZPPG-QHCPKHFHSA-N 463.983 4.156 50 1 JIGF C[C@H](Cl)[C@]1(c2ccc(NS(C)(=O)=O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587606110 GOXNQDPWUZBZBP-IUZBSBKLSA-N 473.934 4.248 50 1 JIGF C[C@@H](C(=O)N/N=C1\C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccc(O)c(Br)c1 72178559 UTXXURUDIFTYDY-SSDOTTSWSA-N 457.111 4.038 50 1 JIGF CC(C)[C@@H]1CC[C@H](O)[C@@H]2[C@@H]3[C@](C)(O)C(=O)C[C@H](Br)[C@@]3(C)CC[C@@]12CBr 2356682940 BIVHKSWAKLEJQJ-MGSFAMQASA-N 480.281 4.314 50 1 JIGF C[C@H](NC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3)c1ccccc1 504326908 ALHVKKXRLZRWRF-UFVBDHNHSA-N 487.593 4.395 50 1 JIGF biogenic COc1ccc([C@H]2CC(c3ccc(OC)c(OC)c3)=NN2C(=O)[C@H](C)Br)c(OC)c1 43060936 VLTTVRKTIQTJDZ-SCLBCKFNSA-N 477.355 4.182 50 1 JIGF O=C1C[C@@](CBr)(CCN2C(=O)c3ccccc3C2=O)Oc2c1ccc1c2CCCC1 587500740 VEHRJYOZGYQEDO-XMMPIXPASA-N 468.347 4.351 50 1 JIGF CC(=O)Nc1ccc(OC(=O)N(C)/N=N/c2nc(OCc3ccccc3)c3nc[nH]c3n2)cc1 28637834 BPSVVSDFGODISW-ZQHSETAFSA-N 460.454 4.020 50 1 JIGF C[C@@H]1O[C@H](n2cc(F)c(=O)[nH]c2=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C 195498590 KGHPPTLBPKJSIG-DNMXQMFDSA-N 474.722 4.374 50 1 JIGF COc1cc2c3c(c1)O[C@]1(CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1Br)[C@@H](C2)C3=O 587418566 UBGBKDZDODWSPV-LUMUYPGZSA-N 452.345 4.022 50 1 JIGF COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4ccc(NC(=O)CCl)cc41)[C@@H](C2)C3=O 587420065 GFWQNMUOBOTHQS-RXFWQSSRSA-N 459.885 4.108 50 1 JIGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(CN2C(=O)c3ccccc3C2=O)N1 587671683 ADBUUZBOAMEBMI-PRWKNARSSA-N 496.174 4.009 50 1 JIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1cc(C#N)c(O)nc1CC[C@@H]2Br 587681984 LZDVBPJZWNDCQG-YPUWOAEVSA-N 481.163 4.048 50 1 JIGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCNC(=O)Nc3ccc(F)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 98082005 BIDKRCNBVMDEQQ-YOGGEQNGSA-N 464.534 4.172 50 1 JIGF CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2ccc(C(=O)NN)cc2[nH]1 587074466 XZQLNELSUGBYAJ-DEOSSOPVSA-N 469.973 4.289 50 1 JIGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Br)nc(CBr)n1 587876957 RENOEKHWTNEXAU-UHFFFAOYSA-N 491.998 4.151 50 1 JIGF C[C@H](S[C@H](C)C(=O)N/N=C/c1cccc(Cl)c1)C(=O)N/N=C\c1cccc(Cl)c1 31637717 RDHHPZFEIPDNPL-BBIWSRBPSA-N 451.379 4.104 50 1 JIGF Cc1ccc([C@@H]2[C@H](Cl)C(=O)N2NC(=O)c2c[nH]c3c(ccc4nc(Cl)cc(C)c43)c2=O)cc1 103211582 SZMRBINSRJXJQD-PZJWPPBQSA-N 481.339 4.182 50 1 JIGF COc1cc(-c2ccc(C(=O)NNC(=O)Nc3ccc(Cl)cc3)c(C)n2)cc(OC)c1OC 1857540374 PEACLUMQCFXFCX-UHFFFAOYSA-N 470.913 4.203 50 1 JIGF N#Cc1cc2c(nc1O)CC[C@H](Br)[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587320457 AFMMLQDGOXZABP-HFMPRLQTSA-N 495.304 4.468 50 1 JIGF Cc1c(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)noc1[C@@H]1C[C@@H](Br)[C@H](C)CO1 1772617088 SGMDUSNPYFXLQE-JLZZUVOBSA-N 495.418 4.410 50 1 JIGF Cc1ccc([S@](=O)C2=C(c3ccccn3)OC(N)=C(C#N)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 142885288 FPGVQAYMNBCTMK-GSTQUKTASA-N 458.499 4.283 50 1 JIGF C[C@H](CC(=O)N[C@@H]1C[C@H](C(Cl)Cl)[C@@H]2CC[C@H](c3nccs3)N2C1=O)C(Cl)Cl 2356800894 RFJXPGGWBASBCA-CSYMLDBXSA-N 473.253 4.314 50 1 JIGF COC(=O)c1cc([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1O 587673124 KLXUEGIWIDOYSS-DGIBIBHMSA-N 487.163 4.253 50 1 JIGF Cc1c(O)ccc2c1[C@](c1ccc(F)cc1)([C@H](Cl)C(=O)c1ccc(F)cc1)N[C@H](C(=O)O)C2 963475041 ZMRLJKIKUSMGIQ-DNVKUUNQSA-N 471.887 4.312 50 1 JIGF CN1C(=O)C=C[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](CC[C@@]4(O)C#CCCI)[C@@H]3CC[C@@H]12 26002621 QSOSGQIELFNFDC-CHCWYRICSA-N 481.418 4.185 50 1 JIGF Cc1ccc(/C=N/NC(=O)c2nnc3c4c(-c5ccccc5)c(-c5ccccc5)nnc4nn3c2C)o1 28391632 WGGYYDQMMKSBBX-RWPZCVJISA-N 488.511 4.375 50 1 JIGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(C(=O)O)cc2)N1 587673353 MFABIBYBUUQRRF-XTZNXHDOSA-N 457.137 4.459 50 1 JIGF COC(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(CBr)c1 587874896 JLCCPRIDADNPGY-UHFFFAOYSA-N 469.162 4.385 50 1 JIGF N#Cc1ccc2cc(C(=O)N/N=C/c3cc(Br)c(O)c(Br)c3O)ccc2c1 95591195 YUSIFTCGCIPRJO-NUGSKGIGSA-N 489.123 4.412 50 1 JIGF COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4ccc(NC(=O)[C@@H](C)Cl)cc41)[C@@H](C2)C3=O 587417387 MDVGIIKVOZIYPT-JTEQMZPVSA-N 473.912 4.497 50 1 JIGF CC(=O)NCCc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1F 587557673 OKTWHEHSLVLTQF-DHLKQENFSA-N 469.896 4.306 50 1 JIGF O=C(N/N=C\c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1)c1cncc(Br)c1 33247279 NXGVLZVLFRXGGW-AFPJDJCSSA-N 486.238 4.217 50 1 JIGF NNC(=O)/C(=C/c1ccc(Oc2ccccc2Br)cc1)NC(=O)c1ccccc1 28520563 LMMHWFOHJBICHS-RGEXLXHISA-N 452.308 4.002 50 1 JIGF C[C@H](S[C@H](C)C(=O)N/N=C\c1cccc(Cl)c1)C(=O)N/N=C\c1cccc(Cl)c1 31637709 RDHHPZFEIPDNPL-KPPDONNGSA-N 451.379 4.104 50 1 JIGF O=C1OC(=O)c2cc(C3(c4ccc5c(c4)C(=O)OC5=O)CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 587535718 NMUDNXRRCATDAK-UHFFFAOYSA-N 494.455 4.096 50 1 JIGF C[C@H]1[C@@H]2CC[C@@]3(C)OO[C@@]24[C@@H](C[C@H]1O)[C@@H](C)[C@H](OC(=O)/C=C/c1ccc(C(F)(F)F)cc1)O[C@@H]4O3 653714264 LQJIJWJPOAXFLG-RDKSKQJSSA-N 498.494 4.441 50 1 JIGF O=C1Nc2ccc(Cl)cc2C1=NNC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 1857567184 RBOVLEFPUTVUEF-UHFFFAOYSA-N 453.285 4.332 50 1 JIGF O=C(N/N=C/c1ccc(F)cc1)N1CCc2ncnc(Nc3cccc(Br)c3)c2C1 1857643477 OHWHZBCRCFHNHG-KBKYJPHKSA-N 469.318 4.224 50 1 JIGF COc1cc(/C=N/NC(=O)COc2ccc3c(-c4ccccc4)cc(=O)oc3c2)cc(OC)c1OC 1857751647 LJQZBZAVKMSMOQ-RWPZCVJISA-N 488.496 4.015 50 1 JIGF CN1C(=O)CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](CC[C@@]4(O)C#CCCI)[C@@H]3CC[C@@H]12 26007253 MVORGJNGNGLACY-CHCWYRICSA-N 483.434 4.409 50 1 JIGF Cc1csc(C(=O)NNC(=O)CN2CCC[C@H]2CNCCC(c2ccccc2)c2ccccc2)c1 28365801 VKWCZJCWDJCUQJ-DEOSSOPVSA-N 490.673 4.094 50 1 JIGF CCOC(=O)[C@H](Br)[C@]1(c2ccccc2)c2cc(OC)c(OC)cc2C[C@@H](C)N1C 962567919 KFSCOZWMDHVYBB-XFEVJDRUSA-N 462.384 4.150 50 1 JIGF CC(C)N1CCN(Cc2ccc([C@@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)[nH]2)CC1 49723055 IZYVBAXMIMJRRU-OWMIWXOMSA-N 473.658 4.464 50 1 JIGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1nc[nH]n1 587545617 RUPVDYVTMUKRCH-WMZHIEFXSA-N 450.882 4.014 50 1 JIGF COC(=O)CCn1c(C)cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587547236 ZKAAVGKDGAWUMU-RCZVLFRGSA-N 469.921 4.470 50 1 JIGF COC(=O)c1c(C)nc(NNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)nc1-c1ccc(C)cc1 1857758209 JACKURVBTCWBPA-UHFFFAOYSA-N 493.523 4.299 50 1 JIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(CN2C(=O)c3ccccc3C2=O)N1 587672821 IITKOYYNBVINGW-BIBXISHDSA-N 496.174 4.009 50 1 JIGF COc1ccc(/C=C(\C#N)c2cc(OC)c(OC)c(OC)c2)cc1I 95580175 BTBBZNFZGHFNJM-VGOFMYFVSA-N 451.260 4.390 50 1 JIGF O=C(NCC(=O)N1c2ccccc2Sc2ccccc21)NN1C(=O)[C@@H](Cl)[C@@H]1c1cccc(F)c1 103199303 JBZJYYAHDSYYCF-VXKWHMMOSA-N 496.951 4.360 50 1 JIGF O=C(NN/C=C1\C=Nc2ccc(Br)cc21)c1ccn(Cc2ccc(Cl)cc2)n1 13125023 JNTSUSPJVUGJBK-SDNWHVSQSA-N 456.731 4.339 50 3 JIGF Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@H](Cl)CCl)nc1-2 587008954 SPCPRMRJRXCVGW-GFCCVEGCSA-N 457.300 4.005 50 1 JIGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2c(Cl)c(Br)cnc2[nH]1 587009569 LOXUXVGQYWUPCD-ZDUSSCGKSA-N 467.154 4.494 50 1 JIGF O=C(CCCCCCCCc1ccccc1)O[C@H](CBr)COP(=O)(O)O 1911575461 LNECSMYFHBACJM-QGZVFWFLSA-N 451.294 4.376 50 1 JIGF COc1ccc(/C=N/NC(=O)c2ccc(CSc3nc(C)cc(C)n3)cc2)c(OC)c1OC 3238542 XVGXRZDQZMSGCR-DHRITJCHSA-N 466.563 4.175 50 3 JIGF O=C1[C@H](Cl)[C@H](c2ccc(O)cc2O)N1c1nnc(Cn2c3ccccc3c3ccccc32)o1 53294031 HFGYWJCLKNQFKN-YADHBBJMSA-N 460.877 4.332 50 1 JIGF CCOC(=O)C[C@]1([C@H](C)Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587319148 AJFQJDWKOFDCID-VYAXVDJTSA-N 451.288 4.366 50 1 JIGF COC(=O)[C@@H](Oc1c(OC)cc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)cc1OC)c1ccccc1 13439037 CWKDMVUBHBOZPH-VATWTLTGSA-N 498.919 4.120 50 1 JIGF CC(=O)c1ccc2c(c1)[C@]1(C=C(C(=O)Cl)Oc3ccccc31)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962623425 DOYZJWMVEXSPRV-AFMDSPMNSA-N 497.931 4.421 50 1 JIGF CCCCCC[C@H](C)C=C(C)C=CC(=O)N[C@@H]1C[C@]2(C=C(Cl)C(=O)[C@H](Cl)[C@H]2O)O[C@H]1OC 2356380441 HCHKYWWJMUJBHB-AEKQXKCGSA-N 488.452 4.386 50 1 JIGF COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccccc2Br)N1C(=O)CCl 49088595 XZPOZBAAIJTUFZ-XLIONFOSSA-N 461.743 4.185 50 1 JIGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@H](C)CC(=O)O)C/C=C\C=C(/C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 169367036 GNUDZIMLPGSNDI-PREZCLSSSA-N 463.615 4.245 50 1 JIGF COC(=O)c1cccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587537527 HAIQVLMROZOKJB-WMZHIEFXSA-N 469.287 4.431 50 1 JIGF C[C@H]1[C@@H]2CC[C@@]3(C)OO[C@@]24[C@@H](C[C@H]1O)[C@@H](C)[C@H](OC(=O)/C=C/c1ccccc1Cl)O[C@@H]4O3 653714279 PQGDZSFNLCLMBB-ROXMMJELSA-N 464.942 4.075 50 1 JIGF COc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3cc(Br)c(O)c(OC)c3)cc2)cc1 299862323 JLXICUANOBMCJV-DHRITJCHSA-N 498.333 4.188 50 1 JIGF C[C@@H]1Cc2cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc2N1S(C)(=O)=O 587610305 XIPZXMGBINDPEU-IWIQFXGASA-N 499.972 4.199 50 1 JIGF COc1ccc(N/C(C#N)=C2/C(=O)c3ccccc3[C@]23c2cc(OC)c(OC)cc2C[C@@H](C)N3C)cn1 962634671 URPBIRNHWGHIGB-QRANUXCGSA-N 496.567 4.313 50 1 JIGF O=C(CN(CCCl)CCCl)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1Cl 103169032 VBHSVZQBYURIDL-UHFFFAOYSA-N 458.729 4.197 50 1 JIGF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(CCBr)c2c1 587620413 ZDKZRLOMGRJXFI-UHFFFAOYSA-N 468.329 4.131 50 1 JIGF CN1CCc2cnn(C)c2[C@@]1(CBr)c1ccc(NC(=O)OCc2ccccc2)cc1 963953975 FABYRPNCGZBPIB-HSZRJFAPSA-N 469.383 4.295 50 1 JIGF CC(C)C(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C)[C@]3(F)[C@@H](O)C[C@]21C 299812803 WPTAKIAMKZCANU-CGVILBGVSA-N 481.004 4.349 50 1 JIGF COc1ccc2c(c1)[C@@](CBr)(c1ccc3c(c1)NC(=O)[C@H](C)O3)N(C(C)C)CC2 962095575 VLOUDUVBNRVCBC-NPMXOYFQSA-N 459.384 4.320 50 1 JIGF COC(=O)C[C@H](O)[C@H]1OCC/C(=C\COCc2ccccc2)[C@@H]1O[Si](C)(C)C(C)(C)C 194832301 NZCHRBWJTJGDAI-HKYAYTCFSA-N 450.648 4.233 50 1 JIGF COc1ccc(OC)c2c1C[C@H](C)N[C@@]21C(Cl)=C(NC(=O)C(Cl)Cl)C(=O)c2ccccc21 963642419 YQAQRMOJLPUDRA-BSNNYGBQSA-N 495.790 4.048 50 1 JIGF Oc1ccc2c3c1O[C@@H]1c4[nH]c5ccc(N=C=S)cc5c4C[C@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 31417696 PHACSLSFPGYKLR-YICISRLPSA-N 471.582 4.307 50 1 JIGF O=C(Nc1ccc(OC[C@@H](O)CNCCc2ccc(Cl)c(Cl)c2)cc1)C(Cl)Cl 49881580 HEWSDMROHPSYLO-AWEZNQCLSA-N 466.192 4.308 50 1 JIGF O=C1OC(=O)c2cc(-c3nc4ccc(S(=O)(=O)Nc5cccc(C(F)(F)F)c5)cc4[nH]3)ccc21 586909248 XFCQVIABUWBQDS-UHFFFAOYSA-N 487.415 4.360 50 1 JIGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2cn(-c3ccc(F)cc3)nn2)N1 587736484 WCENMWOHDLHFAR-JEOXALJRSA-N 453.718 4.325 50 1 JIGF CC(C)(C)[Si](C)(C)O[C@@H]1COC(=O)/C1=C/C[C@@H]1[C@]2(CC[C@@H]3[C@](C)(CO)C(=O)CC[C@@]13C)CO2 1857745302 BWSROLQPRWNMCH-SFQQMKOASA-N 478.702 4.413 50 1 JIGF COc1ccc(NC(=O)Nc2ccc(C(=O)NN=C3C(=O)Nc4ccc(Cl)cc43)cc2)cc1 1857551324 OEBGWIFEVIBCCK-UHFFFAOYSA-N 463.881 4.079 50 1 JIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(O)c(C=O)c2)N1 587673897 RHEATSWKCBNHIU-MGNBDDOMSA-N 457.137 4.279 50 1 JIGF O=C(NC[C@@H]1c2ccccc2CCN1C(=O)[C@@H]1CCCC[C@@H]1C(=O)O)c1ccc(CCl)cc1 95872256 MMITXOLRLRJJFH-XPWALMASSA-N 468.981 4.172 50 1 JIGF Cc1cc(C)cc(S(=O)(=O)c2c(C(=O)NNc3ccncc3)[nH]c3ccc(Cl)cc23)c1 299840828 WKNLHPCRELAACV-UHFFFAOYSA-N 454.939 4.423 50 1 JIGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cccc(S(C)(=O)=O)c2)N1 587850883 TYEHBFAQNMOTAC-BBATYDOGSA-N 491.220 4.164 50 1 JIGF O=C(N/N=C/c1cccs1)c1nn(-c2ccc(Cl)cc2)c(=O)c2c1cnn2-c1ccccc1 1772582854 MOAMUPJASFMVPZ-DHRITJCHSA-N 474.933 4.050 50 1 JIGF CC(C)[C@@H]1C[C@H](O)C=C2[C@H]3[C@](C)(CC[C@]21CBr)[C@@H](Br)C[C@@H](O)[C@@]3(C)O 2356649265 GYAWJQDSSUBDTF-GWGDKXHXSA-N 480.281 4.026 50 1 JIGF C[C@@]12CCSSC[C@]3(CCCC4=C5C[C@H]1C[C@H](CO)[C@@H]1CC=C[C@@H](C4=O)[C@@]512)CCNC(=N)N3 2356680941 ZDHOLSMBJYCLCM-DYQPDEQYSA-N 487.735 4.295 50 1 JIGF COCCOc1nc(-c2cccc(C(F)(F)F)c2)n(-c2ccc(NC(=O)CCl)cc2)n1 35807432 YNPCFQRRZGAJJP-UHFFFAOYSA-N 454.836 4.156 50 1 JIGF C[C@@H]1Oc2ccc([C@]3(CBr)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2NC1=O 587537834 KUGVBOPCOCTSEF-QTEZRDCISA-N 496.313 4.364 50 1 JIGF CS(=O)(=O)[C@H](Br)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587606616 ILLZCZQDYRCDKW-NYVOZVTQSA-N 489.343 4.015 50 1 JIGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc3c(c2)OCO3)N1 587673841 QRONCZGVFHFXRB-XTZNXHDOSA-N 457.137 4.490 50 1 JIGF Cc1nn(-c2ccccc2)c(Oc2ccc(Cl)cc2)c1/C=N/NC(=O)Cn1c([N+](=O)[O-])cnc1C 1857609518 DEDMEYWIENDNCU-RPPGKUMJSA-N 493.911 4.190 50 1 JIGF CN(CCOc1ccc(C[C@H]2SC(=O)NC2=O)cc1)C(=O)CCCC[C@H]1CCSS1 13917459 DPKRZECBZUCROC-ZWKOTPCHSA-N 468.666 4.132 50 1 JIGF O=C(Nc1ccccc1)c1nn(-c2ccccc2)/c(=N/NC(=O)C23CC4CC(CC(C4)C2)C3)s1 1772657480 XRUBNKZCHJWCOZ-GNVQSUKOSA-N 473.602 4.334 50 1 JIGF CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O[Si](C)(C)C(C)(C)C)/C1=C/C#N 195802272 BKTNMVOFLGEWND-IDVMKLDSSA-N 493.753 4.296 50 1 JIGF CCOC(=O)c1cc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)on1 587321388 JNWFSKUIQJKFEY-SIKLNZKXSA-N 490.281 4.345 50 1 JIGF C[C@H](NC(=O)OC(C)(C)C)[C@]1(CCl)N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962922503 JVIYHEZJEORGBN-QRUVEDRTSA-N 476.957 4.131 50 1 JIGF COc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3O)n(Cc3ccc(Cl)nc3)n2)cc1 40861365 QNDSIHZGBVGJJK-MZJWZYIUSA-N 461.909 4.125 50 1 JIGF NNC(=O)c1ccc2[nH]c(-c3c(NC(=O)c4ccccc4Cl)sc4c3CCC4)nc2c1 587032047 YFXVKMPMNRBSQQ-UHFFFAOYSA-N 451.939 4.289 50 1 JIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(N(C)S(C)(=O)=O)cc2)N1 587840856 NJFVDFLPBRXTHT-BLVKFPJESA-N 475.811 4.001 50 1 JIGF Cc1ccc(S(=O)(=O)C[C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587850829 SMUAESPJKKRHIS-DJJJIMSYSA-N 460.796 4.339 50 1 JIGF Cc1ccc([C@H]2C(C#N)=C(N)OC(c3ccccn3)=C2[S@](=O)c2ccc([N+](=O)[O-])cc2)cc1 1857761341 ABBPLEQTDNOEFA-AUSOSSAASA-N 458.499 4.283 50 1 JIGF C[C@@H]1C[C@H](C)[C@H](O)C(C#N)=CC=CC[C@H]([C@@H]2CC[C@@H]2C(=O)O)OC(=O)C[C@@H](O)[C@H](C)C[C@H](C)C1 2356585740 AOKPUKQFVXDBSJ-UAPXWIQVSA-N 475.626 4.245 50 1 JIGF O=C(CBr)NCCc1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 586971049 LEEPXDXDHVIULK-UHFFFAOYSA-N 487.251 4.027 50 1 JIGF CCOC(=O)C(C)(C)[C@@]1(CBr)N[C@H](C)Cc2ccc(F)c(Br)c21 587672146 DBCOLWNZXPLBKH-QGHHPUGFSA-N 451.174 4.302 50 1 JIGF CC1(C)[C@H]2CC[C@@]1(C(=O)O)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)[C@@H]2Br 587546013 UNEKRKQIADVTPC-PIUYGYMLSA-N 473.319 4.377 50 1 JIGF Cc1cc(S(=O)(=O)C(F)(F)[C@@H](F)Cl)c(C)cc1NC(=O)NC(=O)c1c(F)cccc1F 31500285 MYOVVWYJRZLWSL-MRXNPFEDSA-N 484.830 4.444 50 1 JIGF COc1ccccc1C(=O)NNC(=O)c1ccc2c(c1)CO[C@@]2(CCCN(C)C)c1ccc(F)cc1 1857759688 RPYQPDGWNFKMTF-NDEPHWFRSA-N 491.563 4.025 50 1 JIGF CCO/C(O)=C1\C(CS(=O)(=O)c2ccccc2)=NC(C)=C(C#N)[C@H]1c1cccc([N+](=O)[O-])c1 34802472 RPIZCWNLOIRGEW-FBNDGMMSSA-N 467.503 4.211 50 1 JIGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(N3CCOCC3)cc1)CC2=O 587456602 RVQSCQLCWARPFV-QHCPKHFHSA-N 460.368 4.437 50 1 JIGF CCOC(=O)[C@@H]1CCC[C@H](Br)[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587542322 GOBDJYXTEOHMFV-FDFFUELDSA-N 461.308 4.219 50 1 JIGF C=C1C[C@H]2O[C@@H]([C@@H]3[C@H](C(C)C)[C@H](O)C[C@](C)(OC(C)=O)[C@H]23)[C@](C)(OC(=O)CCC)CC[C@H]1OO 2356536067 OMSNLYUISSVECK-FTRHFEIESA-N 482.614 4.045 50 1 JIGF O=C(CSCC(=O)N/N=C/c1cccc(C(F)(F)F)c1)N/N=C/c1cccc(C(F)(F)F)c1 8426964 CPGPWOKEKXEKFI-YEBYOEETSA-N 490.429 4.058 50 1 JIGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@H](C)CC(=O)O)C/C=C/C=C(\C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 169367037 GNUDZIMLPGSNDI-ATAWOUEHSA-N 463.615 4.245 50 1 JIGF Cc1ccc([C@]2(CBr)c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N32)cc1F 962657560 CFWZOEVXNDAHNE-XZOQPEGZSA-N 457.343 4.419 50 1 JIGF CC(=O)Oc1ccccc1[C@H]1[C@H](Cl)C(=O)N1NC(=O)Nc1nc2ccc(Cl)cc2s1 1857574278 WMYWHUGWULPZRT-HOTGVXAUSA-N 465.318 4.102 50 1 JIGF COC(=O)[C@]1([C@H](Br)C(=O)c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587669886 GRRYLWSPOPWBJF-RTXGADQUSA-N 499.174 4.137 50 1 JIGF O=C1[C@@H]2Cc3nc[nH]c3[C@](CCCCCCCl)(c3ccc(Cl)cc3)N2C(=O)[C@@H]2CCCN12 963221871 OROVOMQYZKCBSV-SKPFHBQLSA-N 475.420 4.254 50 1 JIGF CC(=O)O[C@@H]1C[C@H]2[C@](C)(CC[C@H]3C(C)(C)CCC[C@]32C)[C@@H]2C[C@@H](O)C(=CC=O)C(=O)O[C@]21C 2356581619 CSVCFXXXBLXLBZ-ZQVZAKCCSA-N 460.611 4.379 50 1 JIGF CCOC(=O)c1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)c1 13779095 JMSGDLZRDOKMKT-UHFFFAOYSA-N 477.908 4.364 50 1 JIGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)CCN1C(=O)c2ccccc2C1=O 587541704 DCTFYJOLHMCYRE-NLFFAJNJSA-N 463.873 4.018 50 1 JIGF CCOC(=O)[C@H](Cl)c1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1C 587618476 RMWDIOUGFRBPCR-QGZVFWFLSA-N 481.914 4.037 50 1 JIGF Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@@H]2c1cc(Br)cc(Br)c1 40617319 GEVRBBGOMKRTJX-INIZCTEOSA-N 487.151 4.282 50 1 JIGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc3c(c1)C[C@H](C)N3S(C)(=O)=O)CC2=O 587490293 WUKPGPOLZQYJOH-PSLXWICFSA-N 463.983 4.155 50 1 JIGF COC(=O)[C@@H](Br)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 587875224 PLWOKYSWHUPSOO-IBGZPJMESA-N 469.162 4.313 50 1 JIGF C[C@H]1CC(C)(C)N[C@H](C[C@@H](O[P@@](N)(=O)N(CCCl)CCCl)c2ccccc2)O1 14243573 PDPLMKYBMAZTOG-GOVKURAVSA-N 452.363 4.484 50 1 JIGF C[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 43009438 GGCJDMVPVNEWNO-WDGLFACQSA-N 492.620 4.377 50 1 JIGF CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)C(=O)CCCC[C@H]1CCSS1 169719613 JQCIOOSRGXQZOP-KRWDZBQOSA-N 468.666 4.284 50 1 JIGF COC(=O)c1cc(CBr)ccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587874669 FHSCKRNZIPBDGF-UHFFFAOYSA-N 469.162 4.385 50 1 JIGF CCN1C(=O)[C@]2(C(C#N)=C(N)Oc3cc4oc(-c5ccccc5)cc(=O)c4c(O)c32)c2cc(C)ccc21 1857548524 JAORMBSGZGMUTI-LJAQVGFWSA-N 491.503 4.213 50 1 JIGF CC(C)c1nn(C)c2c1[C@@](C)(c1cccc(N3Cc4ccccc4C3=NC(=O)CCl)c1)NCC2 962919490 KVAREWOUVGGTJY-HHHXNRCGSA-N 476.024 4.485 50 1 JIGF CN[C@@H]1[C@H]2[C@@H]([C@]3(C)CC[C@H](C(C)(C)N=C=S)O3)CC[C@@](C)(N=C=S)[C@H]2CC[C@]1(C)O 2356874054 YSAVASQYXJXTPS-UBVIZFPZSA-N 451.702 4.442 50 1 JIGF CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4ccc(C(=O)NN)cc4[nH]3)cs2)cc1 587014726 XUOLNBBLIWTRNZ-UHFFFAOYSA-N 464.551 4.228 50 1 JIGF O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587272233 LPUSMOUFBRCHAY-KBPBESRZSA-N 468.360 4.162 50 1 JIGF CN(C)C(=O)c1ccc2c(c1)[C@@](CBr)(c1cc(-c3ccc(Cl)cc3)no1)NCC2 962932517 QLCHWEGPQBVFMG-QFIPXVFZSA-N 474.786 4.481 50 1 JIGF COC(=O)c1ccc([C@]2(C(Br)Br)CC(=O)c3cc(C)cc(N)c3O2)s1 587409763 JJFRIGFAKVDYKG-KRWDZBQOSA-N 489.185 4.402 50 1 JIGF C[C@@]1(c2ccc(N3CCN(C(=O)CCl)CC3)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587506819 PPUGUMFYGHNURC-SANMLTNESA-N 470.972 4.473 50 1 JIGF O=C1[C@H](Cl)[C@@H](c2ccc(O)cc2)N1c1nnc(CNc2nnc3c4ccccc4nc-3s2)s1 40407263 AUAISBFLBXDEIZ-NVXWUHKLSA-N 495.977 4.056 50 1 JIGF CS[C@H](C[C@@H]1C/C=C\C=C(/C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O1)C(=O)O 169355146 FKJWSHZWLPGKEH-BGBKYMEMSA-N 495.682 4.341 50 1 JIGF Cn1c(=O)oc2cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc21 587328002 SIEQWCOHQJUKMA-QPPBQGQZSA-N 453.853 4.469 50 1 JIGF O=C(CNC(=O)c1ccc(F)cc1)N/N=C\c1cc(Br)ccc1OCc1ccccc1 33352199 UTPXOKOZPNPAIP-WKIKZPBSSA-N 484.325 4.047 50 1 JIGF Cc1ccccc1NC(=O)NCCO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 98082938 IDYBJMWKUGKKTD-PMARDFPDSA-N 460.571 4.341 50 1 JIGF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CBr)c(C)c2c1 587619872 VGWMXAXYXUTSHT-UHFFFAOYSA-N 454.302 4.089 50 1 JIGF COc1cc2c(cc1OC)[C@@](CBr)(c1ccc(N3CCCC3=O)cc1)N(C)[C@H](C)C2 962621139 BAIZLSBCIJFUKH-VOIUYBSRSA-N 473.411 4.346 50 1 JIGF CCCOc1c(C(=O)N/N=C(\C)c2ccc[nH]2)sc(C(=O)N/N=C(\C)c2ccc[nH]2)c1OCCC 45289354 DMFSQJKZHUGXKB-DPCVLPDWSA-N 498.609 4.290 50 1 JIGF O=C([C@H]1NN2[C@H](N[C@@H](c3cccs3)C[C@@H]2C(F)(F)F)[C@H]1Cl)N1CCC[C@@H]2CCCC[C@@H]21 195481664 CRMJZPWOTGBJOQ-QLUBTQAFSA-N 476.996 4.017 50 1 JIGF O=C(CBr)NC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587320318 FICXQWJYGSDFSA-LADGPHEKSA-N 484.321 4.297 50 1 JIGF COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3ccc(C(=O)NN)cc3[nH]2)cc1 586959376 MMGHIVRPMNXRHN-FQEVSTJZSA-N 499.637 4.453 50 1 JIGF C[C@]1([C@@H](Cc2ccccc2)NC(=O)CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587546721 XJPLZCFYYIKYKT-QFZWGZQFSA-N 451.906 4.079 50 1 JIGF COc1c(O)cc(CCN)c2c1SSc1c(CCN)cc(O)c(OC)c1SS2 38801695 FSVGIWCUZVYMMG-UHFFFAOYSA-N 458.652 4.030 50 1 JIGF biogenic N#C/C(=C(/N)Sc1ccccc1N)c1cccc([C@H](O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 38145320 YSNCPAJGYPDDEK-LXDMNWQESA-N 463.475 4.110 50 1 JIGF CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C#N 195225459 WMSIRCDICHBPAB-ZAWLATJESA-N 480.758 4.275 50 1 JIGF COC(=O)[C@]1([C@@H](Br)C(=O)c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587669888 GRRYLWSPOPWBJF-SLIIYKDFSA-N 499.174 4.137 50 1 JIGF CCOC(=O)/C(C#N)=C/[C@@H](C(=O)N1c2ccccc2Sc2ccccc21)[n+]1ccc(N(C)C)cc1 95595388 HFNIXJAPTHGHLT-OOPWQZCMSA-N 485.589 4.424 50 1 JIGF COc1ccc2c(=O)cc([C@@H](C)Br)oc2c1COC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C 169328965 UKUSIFRFBOCIQK-SBYUVDGLSA-N 493.350 4.423 50 1 JIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(O)c(C=O)c2)N1 587672805 ICZRJOXGBALNQF-MGNBDDOMSA-N 457.137 4.279 50 1 JIGF CCCCCC[C@H](C)C=C(C)C=CC(=O)N[C@@H]1C[C@]2(O)C=C(Cl)C(=O)[C@H](Cl)[C@H]2O[C@H]1OC 2356665330 BZCAAMLTKGWGQU-FBSRRPHLSA-N 488.452 4.386 50 1 JIGF CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1ccc(/C=C/C#N)s1)n2CCC(N)=O 40423077 OAECTEGCLUMMAV-VMPITWQZSA-N 498.568 4.039 50 1 JIGF COC1=CC(C)=C2O[C@@]3(C[C@@]2(OO)C1=O)[C@@H](O)CC[C@@H]1[C@@]2(C)CC[C@H](O)C(C)(C)[C@@H]2CC[C@]13C 42851018 YSWYEMBQVGXRLL-LNVPCVPCSA-N 476.610 4.135 50 1 JIGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(N2CCOCC2)cc1 587538012 MFHIPYVGINBQLQ-RDGATRHJSA-N 496.357 4.481 50 1 JIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cccc(C(=O)O)c2)N1 587672147 DBRKTXJSGDDVTI-MGNBDDOMSA-N 457.137 4.459 50 1 JIGF COc1cc([C@H]2Oc3c(OC)cc(C=CC=O)cc3[C@H]2COC(=O)c2ccc(O)cc2)ccc1O 2356755428 JRDSHOZYAFZUGI-PXDATVDWSA-N 476.481 4.401 50 1 JIGF C[C@H]1CCCCN1C(=O)Cc1ccc(/C=N/NC(=O)c2ccc(O)c(C#N)c2)c2ccccc12 13492709 WOYOBZXISFCRDD-OJPXDDBDSA-N 454.530 4.124 50 1 JIGF O=C(Cn1cnc2scc(-c3ccc4ccccc4c3)c2c1=O)N/N=C/c1cccc([N+](=O)[O-])c1 73170121 XXSXJVXBZCDUTO-KKMKTNMSSA-N 483.509 4.337 50 1 JIGF N#CSc1ccc(NC(=O)CCl)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 587895379 CSLZXVLPEQDVQM-UHFFFAOYSA-N 466.777 4.454 50 1 JIGF CCOC(=O)c1c(C)[nH]c([C@]2([C@H](C)Cl)N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c1C 962968348 OKJXYYLMUVAVMB-BWGXNBIRSA-N 475.319 4.210 50 1 JIGF C[C@@]12CCSSC[C@H](NC(=N)N)CCCC3=C4C[C@H]1CC[C@H](CCCO)[C@]42CC3=O 2356350825 KEDRNTPYWJDOGH-RSPFCTSVSA-N 451.702 4.258 50 1 JIGF CC1(C)OB(c2ccc3c4c2N(CC4)[C@]32C(C=O)=COc3c(Cl)cc(Cl)cc32)OC1(C)C 963160599 SCRGOHXMEGSXOA-XMMPIXPASA-N 470.161 4.388 50 1 JIGF N#CC1=C(N)N2CCN(Cc3ccc(Cl)nc3)C2=C([N+](=O)[O-])[C@@H]1c1ccc(Cl)cc1Cl 103210764 RZVZHLYMECGODP-QGZVFWFLSA-N 477.739 4.096 50 1 JIGF COc1ccc2c(=O)cc([C@@H](C)Br)oc2c1COC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C 169328969 UKUSIFRFBOCIQK-FYDMHJLLSA-N 493.350 4.423 50 1 JIGF C[C@]1([C@@H](Cc2ccccc2)NC(=O)CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587546715 XJPLZCFYYIKYKT-JLRUASKGSA-N 451.906 4.079 50 1 JIGF O=C(Nc1ccc(Cl)cc1)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C[C@@H](O)CCl)C1=O 13732726 HXXRJVJGNWSUJW-WMZHIEFXSA-N 497.382 4.272 50 1 JIGF CN(C)CCSSCCNC(=O)C1CCN(C(=O)C(C)(c2ccccc2)c2ccccc2)CC1 618008652 JAMNKNLXPRWNRR-UHFFFAOYSA-N 499.746 4.290 50 1 JIGF COc1cc2c(cc1OC)[C@H](c1ccc(OCCBr)c(OC)c1)N(C)[C@H](C)C2 962637274 WGLMKIGIGSXTKH-PEBXRYMYSA-N 450.373 4.452 50 1 JIGF CS(=O)(=O)c1cccc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587610273 XDWQSSBCEXJONZ-UGKGYDQZSA-N 489.343 4.048 50 1 JIGF CC(=O)N1CCc2sc([C@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2C1 587617774 KYLRPUCYFRRTMG-QPPBQGQZSA-N 469.946 4.454 50 1 JIGF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@H](c2sc(=O)n(CCCl)c2Cl)N1 963189865 VZAJRIALMYTQNM-GHMZBOCLSA-N 475.703 4.163 50 1 JIGF CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccccc1)NC(=O)OC(C)(C)C 26725097 DHPZAPPLUMAXJQ-GOTSBHOMSA-N 485.625 4.425 50 1 JIGF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@](CBr)(c2ncccc2F)N1 963169111 GZAILXZVURTFLD-CJNGLKHVSA-N 467.644 4.130 50 1 JIGF CN1C(=O)CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](CC[C@@]4(O)C#CCCI)[C@H]3CC[C@@H]12 26007262 MVORGJNGNGLACY-RFGFHXCZSA-N 483.434 4.409 50 1 JIGF Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@H]2c1cc(Br)cc(Br)c1 40617317 GEVRBBGOMKRTJX-MRXNPFEDSA-N 487.151 4.282 50 1 JIGF COc1cc(C=C(C#N)C#N)c(-c2c(C=C(C#N)C#N)cc(OC)c(OC)c2OC)cc1OC 103228559 XNISPAQDCSYLKQ-UHFFFAOYSA-N 456.458 4.258 50 1 JIGF CC[C@H](Br)[C@H]1C[C@H](Br)[C@H](O)C[C@@H]2O[C@@H](C=C=CBr)C[C@@H]2O1 238753091 WFSXIOIRHBENDQ-VQMJRWOUSA-N 489.042 4.053 50 1 JIGF CC(=O)NCCc1ccc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)s1 587847522 LEMCTANQCFONHT-NSPYISDASA-N 459.812 4.345 50 1 JIGF COc1cc([C@]2(C)N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)ccc1OCCCCl 962983719 ZFLNMEVSJJGDNU-VFNWGFHPSA-N 460.304 4.497 50 1 JIGF COc1cc(-c2ccc(C(=O)NNC(=S)Nc3ccc(Cl)cc3)c(C)n2)cc(OC)c1OC 1857558031 SWRFXRMMQVTOJG-UHFFFAOYSA-N 486.981 4.368 50 1 JIGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CNC(=O)CCl)(c2ccc(Cl)cc2)N1 587684957 NFHQGNGSORWJRQ-WLRWDXFRSA-N 460.174 4.374 50 1 JIGF CS(=O)(=O)c1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587607911 OQKZWHKETMZFQC-UGKGYDQZSA-N 489.343 4.048 50 1 JIGF CCN(c1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1)S(C)(=O)=O 587609006 UFSNNUBHHFMIFY-ZJSXRUAMSA-N 487.961 4.274 50 1 JIGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(CS(=O)(=O)c2ccccc2)N1 587851347 VYUIUYQXHVCXKC-KPZWWZAWSA-N 491.220 4.187 50 1 JIGF CC(=O)c1ccccc1-n1cc(CO[C@H]2O[C@@H]3O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)nn1 1857542191 VCJWONWHPWDUML-HOBNCRBHSA-N 483.565 4.195 50 1 JIGF N#C/C(=C\c1ccc2[nH]ccc2c1)C(=O)NCCCCNC(=O)/C(C#N)=C/c1ccc2[nH]ccc2c1 1632210 JXPXWTUBJJVAJX-DFEHQXHXSA-N 476.540 4.176 50 1 JIGF C[C@@H]1[C@H](OC(=O)CCC(=O)NCC2CCCCC2)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@H]1[C@@]24OO3 504699976 YTHIOLCNKYTWGD-BULCYNLTSA-N 479.614 4.214 50 1 JIGF biogenic O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(N2CCOCC2)cc1 587538010 MFHIPYVGINBQLQ-RCZVLFRGSA-N 496.357 4.481 50 1 JIGF CC(C)(C)OC(=O)N1C[C@H](Br)[C@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587544160 MXPFCRVENQGLGL-HOIFWPIMSA-N 476.323 4.107 50 1 JIGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(N2CC[C@@H](Br)C2=O)c1 587891137 PJHCZCOQVMZKHX-GOSISDBHSA-N 480.189 4.204 50 1 JIGF CCCCCCC[C@H](CC1=C(C=CCCCC=CCO)C(=O)OC1=O)C1=C(C)C(=O)OC1=O 2356461768 STOJXMXLBFQITN-LJQANCHMSA-N 458.551 4.408 50 1 JIGF CN1C(=O)C=C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(O)C#CCCI)[C@@H]3CC[C@@H]12 38515754 QSOSGQIELFNFDC-WNGCJKCESA-N 481.418 4.185 50 1 JIGF CS(=O)(=O)N1CCCc2cc([C@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 587530337 CAXARKPXSMRJJZ-XMMPIXPASA-N 459.995 4.377 50 1 JIGF CC(C)c1nn(C)c2c1[C@](C)(c1cccc(N3Cc4ccccc4C3=NC(=O)CCl)c1)NCC2 962919492 KVAREWOUVGGTJY-MHZLTWQESA-N 476.024 4.485 50 1 JIGF Cc1ccc([C@H]2[C@@H](Cl)C(=O)N2NC(=O)c2c[nH]c3c(ccc4nc(Cl)cc(C)c43)c2=O)cc1 103211592 SZMRBINSRJXJQD-CTNGQTDRSA-N 481.339 4.182 50 1 JIGF C[C@@H]1CC(C)(C)N[C@H](C[C@@H](O[P@](N)(=O)N(CCCl)CCCl)c2ccccc2)O1 299812702 PDPLMKYBMAZTOG-CUUXWUDSSA-N 452.363 4.484 50 1 JIGF CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](n2ccc(O)nc2=O)[C@H](O[Si](C)(C)C(C)(C)C)/C1=N/O 299814454 HRGRFZLKWPCHPI-DIFVCTIJSA-N 485.730 4.089 50 1 JIGF Cn1c(=O)n(C)c2cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc21 587327050 OFQQYLPKDNDTQW-RCZVLFRGSA-N 466.896 4.215 50 1 JIGF CC1=C(CCCl)C(=O)N2CCC[C@]3(Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)[C@@H]2N1 587327785 RPJXGRFFBRPYEF-NQHRYMMQSA-N 470.928 4.084 50 1 JIGF COc1ccc(Nc2nc(Nc3ccc(OC)cc3)nc(C(=O)NNc3ccccc3)n2)cc1 653720295 XLMJQSJGJBYRKP-UHFFFAOYSA-N 457.494 4.133 50 1 JIGF COc1ccc(C(=O)N(/N=C/c2c[nH]nc2-c2cccc(Cl)c2)C(=O)c2ccncc2)cc1 653747916 BBZMUNSNYITJRC-RWPZCVJISA-N 459.893 4.450 50 1 JIGF COc1ccc2c(c1)[C@@](/C=C(\NNC(=O)CC#N)c1ccccc1)(C(F)(F)F)N(C(C)C)CC2 962092160 PFOMFXUHZXUKAG-FOOJEKODSA-N 472.511 4.295 50 1 JIGF CCOC(=O)[C@@]12Cc3ccc(F)c(c3C1)[C@](CCl)(c1cscn1)N2C(=O)OC(C)(C)C 962701570 APALPNRAXNNAHQ-YADHBBJMSA-N 466.962 4.416 50 1 JIGF C=C1Cc2c(O)cc3c(c2O)C(=O)C2=C[C@@H](Cl)C(C)(C)O[C@@]2(CC=C(C)CC[C@H]1O)C3=O 2356712877 QNUSKIGTELENRX-RAWGQGSESA-N 458.938 4.148 50 1 JIGF C=C1Cc2c(O)cc3c(c2O)C(=O)C2=C[C@@H](Cl)C(C)(C)O[C@@]2(CC=C(C)CC[C@@H]1O)C3=O 2356712878 QNUSKIGTELENRX-SXMMONRFSA-N 458.938 4.148 50 1 JIGF Cc1nc(-c2ccccc2)sc1C(=O)NN(CC(C)C)c1nc(C#N)ncc1Br 66259275 UKHMYEAXQNVPGB-UHFFFAOYSA-N 471.384 4.350 50 1 JIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(CS(=O)(=O)c2ccccc2)N1 587851348 VYUIUYQXHVCXKC-KZULUSFZSA-N 491.220 4.187 50 1 JIGF O=C(N/N=C/c1ccco1)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2N[C@H]1c1ccco1 1772641117 VZFASXHROUMMPU-WITNIRSISA-N 454.486 4.201 50 1 JIGF N#CC1=C(N)Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2[C@@]12C(=O)Nc1cc(Cl)ccc12 1857571230 YATXQHLSNYPCGS-SANMLTNESA-N 483.867 4.143 50 1 JIGF O=C(N/N=C/c1ccc(F)cc1)N1CCc2ncnc(Nc3cccc(C(F)(F)F)c3)c2C1 1857641934 AKLFORQKEXCDIS-VPUKRXIYSA-N 458.419 4.480 50 1 JIGF Cc1ccc([C@H]2[C@H](Cl)C(=O)N2NC(=O)c2c[nH]c3c(ccc4nc(Cl)cc(C)c43)c2=O)cc1 103211586 SZMRBINSRJXJQD-FPOVZHCZSA-N 481.339 4.182 50 1 JIGF C[C@@H]1C[C@H](C)[C@H](O)C(C#N)=CC=CC[C@H]([C@@H]2CCC[C@@H]2C(N)=O)OC(=O)C[C@@H](O)[C@H](C)C[C@H](C)C1 2356827677 IOHLCKBCGGSSCP-VYRHLEITSA-N 488.669 4.036 50 1 JIGF Nc1ccc2c(c1)N(C(=O)CCCC(=O)N1C[C@@H](CCl)c3ccc(N)cc31)C[C@H]2CCl 1858684 YSHVFLMRNJXNHK-HUUCEWRRSA-N 461.393 4.060 50 1 JIGF CC(C)CN(NC(=O)c1cccc2c1-c1ccccc1C2=O)c1nc(C#N)ncc1Br 58568538 XORCNUJLTQTPON-UHFFFAOYSA-N 476.334 4.130 50 1 JIGF [N-]=[N+]=NCCOc1cccc2c1C(=O)c1c(OCCN=[N+]=[N-])cc(NC(=O)CCl)cc1C2=O 206540298 OGZTZYVYGUMFAU-UHFFFAOYSA-N 469.845 4.018 50 1 JIGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccc(O)c(CNC(=O)CCl)c1)O2 587374589 YWSFCPVSCDHYPU-RUZDIDTESA-N 450.922 4.047 50 1 JIGF CC(=O)NCCc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1F 587722241 XOXYJPHXNRJZFW-GTJPDFRWSA-N 471.773 4.423 50 1 JIGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](O[C@@H](CC(=O)O)c3ccc([N+](=O)[O-])cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 43845932 UVWPFYQIBWCYOU-IJRARUJASA-N 477.510 4.335 50 1 JIGF C=C1C[C@@H](O)[C@@H](Br)C(C)(C)[C@@]12C=C[C@@](O)(C(Br)Br)CC2 44361859 BDUUDTPDYKKJPZ-FKGLVLAHSA-N 473.043 4.280 50 1 JIGF O=C1c2ccc(O)cc2O[C@](CCl)([C@@H]2CCCN2C(=O)C(F)(F)F)[C@@H]1c1ccc(F)cc1 587326563 CFMMRMCVJQKSHX-WAOWUJCRSA-N 471.834 4.421 50 1 JIGF O=C(O)[C@H]1[C@H](c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)[C@H]1C(=O)O 587970968 PQGCLPQKKULBHG-WHUPJOBBSA-N 451.167 4.482 50 1 JIGF CC(C)[C@@H]1C=C[C@H](OO)[C@@H]2[C@@H]3[C@](C)(O)[C@H](O)C[C@H](Br)[C@]3(C)CC[C@]12CBr 2356604231 SLASZMTUABGCGQ-BVRIMLRJSA-N 496.280 4.380 50 1 JIGF O=C(CBr)NC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587320322 FICXQWJYGSDFSA-VWNXMTODSA-N 484.321 4.297 50 1 JIGF CCOC(=O)C(C)(C)[C@]1(CBr)N[C@H](C)Cc2cc(Br)c(F)cc21 587674101 SUMHQQWEOJUIJV-BMLIUANNSA-N 451.174 4.302 50 1 JIGF C[C@@H]1CC[C@@H]2[C@@H](C)[C@@H](O[C@H](CC(=O)O)c3ccc([N+](=O)[O-])cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 43946999 UVWPFYQIBWCYOU-VVRYSBDFSA-N 477.510 4.335 50 1 JIGF CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@@H](O[Si](C)(C)C(C)(C)C)/C1=C/C#N 195356692 BKTNMVOFLGEWND-AFVFUGLASA-N 493.753 4.296 50 1 JIGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)CCN1C(=O)c2ccccc2C1=O 587541701 DCTFYJOLHMCYRE-CJFMBICVSA-N 463.873 4.018 50 1 JIGF COc1ccc2c(c1)C(=NNC(=O)c1ccc(NC(=O)Nc3ccc(Cl)cc3)cc1)C(=O)N2 1857592729 CWJWMMHMKSIAGC-UHFFFAOYSA-N 463.881 4.079 50 1 JIGF COC(=O)c1c(C)nc(NNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)nc1-c1ccc(F)cc1 1857747227 BZUCQVXORXPOIU-UHFFFAOYSA-N 497.486 4.129 50 1 JIGF CC(C)CN(NC(=O)c1csc(-c2ccccc2)n1)c1nc(C#N)ncc1Br 58581151 SECPGWNTCODRHM-UHFFFAOYSA-N 457.357 4.042 50 1 JIGF N#CC1=C(N)OC(c2c[nH]c3ccccc23)=C(C#N)[C@@H]1c1cc(Br)c2c(c1)OCO2 64373302 PRIKDMSRJKJZAS-IBGZPJMESA-N 461.275 4.402 50 1 JIGF CC(C)(C)OC(=O)N[C@@H](C(=O)[C@@H](N)CC1CCCCC1)/C(O)=C(\C#N)c1ccc([N+](=O)[O-])cc1 100765218 HRJGVCWJLKJUGB-YZSJRQJUSA-N 472.542 4.148 50 1 JIGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CC[C@H]2C(=O)O)CCC/C=C(\C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 263620644 KHMHNBNVTBTHJD-IIZLMIOOSA-N 477.642 4.469 50 1 JIGF in-vitro CS/C(Nc1ccccc1)=C(\C#N)C(=O)Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1 1911581770 BVPUCYOWWMIESJ-ZBJSNUHESA-N 483.575 4.241 50 1 JIGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H](C[C@@H](C)C(=O)O)C/C=C\C=C(/C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 169359516 RLHYVCYVLRHHCK-HFMCMXOYSA-N 463.615 4.245 50 1 JIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc3c(c2)OCO3)N1 587673669 PBZXIHWTKISLEY-MGNBDDOMSA-N 457.137 4.490 50 1 JIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc3c(c2)OCO3)N1 587673839 QRONCZGVFHFXRB-MGNBDDOMSA-N 457.137 4.490 50 1 JIGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(=O)CBr)c(F)c1 587894442 KHAJUOJXDZDYLT-UHFFFAOYSA-N 457.126 4.421 50 1 JIGF CCOC(=O)c1c(C)nc(NNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)nc1-c1ccccc1 1857750052 WTCBUZCDFCWVES-UHFFFAOYSA-N 493.523 4.380 50 1 JIGF C[C@@H]1[C@H](CO)C[C@H]2CC3=C4CCC[C@@]5(CCNC(=N)N5)CSSCC[C@@]2(C)[C@]31CC4=O 2356774568 ARLRMZJBOIITDX-WEEJMABRSA-N 463.713 4.129 50 1 JIGF C[C@](O)(C=C[C@H](Br)[C@@](C)(Cl)[C@H](Br)CCl)CBr 2356844589 NXCMLIMTXQQDHL-QCLAVDOMSA-N 461.847 4.452 50 1 JIGF [C-]#[N+][C@]12[C@H](O)C(=O)C(C)(C)c3[nH]c4cccc5c4c3[C@]1(O)[C@H](C[C@@H](Cl)[C@]2(C)C=C)C5(C)C 96888413 CQNFEWJQEPWSEN-SNUJMJNFSA-N 452.982 4.346 50 1 JIGF CC/C(Br)=C\CC[C@H](O)[C@H](Br)[C@@H]1O[C@@H](C=C=CBr)C[C@@H]1O 238787300 BBVRCKWMJJUCDA-XQMAFCJJSA-N 489.042 4.162 50 1 JIGF CCc1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1CCBr 587618611 OVUKJBMKUXVFIH-UHFFFAOYSA-N 482.356 4.385 50 1 JIGF CC(=O)NCCc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1F 587720466 RPYOLQGAPORQQH-LAJNKCICSA-N 471.773 4.423 50 1 JIGF CN(C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(C(=O)NNC(=O)c3ccccc3F)ccc21 1857641849 ZWUSYPRYLUUDAJ-MHZLTWQESA-N 479.527 4.155 50 1 JIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1cc(C#N)c(O)nc1CC[C@H]2Br 587677455 AJQDZWIPBSMOAW-YZYVNEJNSA-N 481.163 4.048 50 1 JIGF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)C#CCCOC(=O)CBr 13651604 PNFATSCOKFXMOP-LBQHQWNISA-N 461.396 4.311 50 1 JIGF CC1(C)OC2=C(C(=O)C(=O)c3ccccc32)[C@H](n2cc(-c3ccccc3)nn2)[C@H]1Br 49113313 JSNJUKIDLLBRQT-PGRDOPGGSA-N 464.319 4.235 50 1 JIGF COc1ccc(/C=N/NC(=O)Cn2c(CSc3ccccc3)nc3ccccc32)c(OC)c1 84587639 REHRSHXTTDVIIP-CVKSISIWSA-N 460.559 4.496 50 1 JIGF N#C[C@H](c1nnc2n1CCCCC2)[C@]1(CCl)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962649212 ZQTUFCVBTLSINX-CKOJHNACSA-N 487.051 4.493 50 1 JIGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](N3CCN(Cc4ccc(F)cc4)CC3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1857751436 FTWYGLBPVRBJBY-UFMQUTSLSA-N 460.590 4.151 50 1 JIGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc3c(cc2NC(=O)CCl)OCO3)N1 587684019 JEPRIGUIHJYRJP-WVDJIFEKSA-N 469.738 4.292 50 1 JIGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@H](C)CC(=O)O)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 253915875 GNUDZIMLPGSNDI-RVXNVRRZSA-N 463.615 4.245 50 1 JIGF CN(C)CCC[C@]1(c2ccc(F)cc2)OCc2cc(C(=O)NNC(=O)c3ccccc3F)ccc21 1857641848 ZWUSYPRYLUUDAJ-HHHXNRCGSA-N 479.527 4.155 50 1 JIGF COc1c(OO)ccc(N2CCCN(C(=O)c3oc(C)nc3-c3ccccc3F)CC2)c1OC 103291240 MTFDBDFWGHHYCV-UHFFFAOYSA-N 471.485 4.011 50 1 JIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C(=O)CBr)ccc2O)N1 587673381 MMOBIDAXYUEIJH-DYBLOJMWSA-N 457.137 4.495 50 1 JIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)([C@H](C#N)C(=O)NCc2ccccc2)N1 587686679 DFGUAAYUZBEMID-NZCGUCNHSA-N 464.766 4.013 50 1 JIGF CC(C)c1n[nH]c2c1[C@H](c1ccccc1OCC(=O)NN)N(c1ccc(-c3ccsc3)cc1)C2=O 144614645 DHZHKWIQYOMQDP-VWLOTQADSA-N 487.585 4.380 50 1 JIGF COC(=O)CCCn1c(C)cc([C@]2(CCl)c3c(ccc(OC)c3OC)C[C@@H](C)N2C)c1C 962644588 YWFUQMRBDLEUEF-PUAOIOHZSA-N 463.018 4.434 50 1 JIGF CC(=O)O[C@@H]1C[C@H](Cl)C=C[C@H](C=C=CBr)O[C@@H](C)[C@H]2O[C@H]1C[C@H]2Br 2356798281 PBJXAHUANQJORC-GHTPOLHASA-N 484.612 4.244 50 1 JIGF COc1ccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2cccc(OC(C)C)c2)cc1 13779117 RMJOWLABNUVXLP-UHFFFAOYSA-N 459.506 4.330 50 1 JIGF Cc1nn(-c2ccccc2)c(Oc2ccc(-c3nc4cc([N+](=O)[O-])ccc4[nH]3)cc2)c1/C=N/NC(N)=O 1857750869 GUPVJZXTRSLSPU-MZJWZYIUSA-N 496.487 4.427 50 1 JIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H](Cc2ccccc2)NC(=O)CCl)N1 587685857 RVBWIYOJIFERPC-XFPJRNFQSA-N 453.783 4.304 50 1 JIGF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@H]4[C@H](Br)[C@@H](O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C 2356660977 OWEZEFLAXPQGSA-SUEIBLGHSA-N 483.443 4.239 50 1 JIGF C/C(=N/NC(=O)c1sc2c(c1N)CCCC2)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 299855231 ASZLRIXDSVMXSV-QQXSKIMKSA-N 482.631 4.472 50 1 JIGF Cn1c(=O)n(C)c2cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc21 587327048 OFQQYLPKDNDTQW-DHLKQENFSA-N 466.896 4.215 50 1 JIGF COc1cc2c3c(c1)O[C@@](CCCl)(c1ccn(S(=O)(=O)c4ccccc4)c1)[C@@H](C2)C3=O 587449484 OYKFPPYQFSFISB-CVDCTZTESA-N 457.935 4.006 50 1 JIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CN(C(=O)OC(C)(C)C)C[C@@H]2Br)N1 587679165 FIFBRTOBSZPTLZ-LNSDYSHSSA-N 478.200 4.332 50 1 JIGF COc1ccc(C(O)(c2ccc(OC)cc2)[C@@H]2CCN(C(=O)Oc3ccc([N+](=O)[O-])cc3)C2)cc1 49766506 SHFYVPZHOUHXJZ-HXUWFJFHSA-N 478.501 4.369 50 1 JIGF CS(=O)(=O)Nc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587371124 ZXHRVWNZOGFFQB-FYYLOGMGSA-N 475.925 4.396 50 1 JIGF COC(=O)C(=C1Nc2ccccc2N1)[C@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21 587688994 OPKIMGKRALBTOG-WSVYEEACSA-N 480.765 4.479 50 1 JIGF C[C@H](Cl)[C@]1(c2ccc(NS(C)(=O)=O)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587838700 DUSNFZRDNYYCFN-UYSIFFEZSA-N 475.811 4.365 50 1 JIGF C=C(C)[C@@H]1COc2c(C)cc3oc4c(C[C@@H](Cl)C(C)(C)O)ccc(O)c4c(=O)c3c2[C@H]1O 2356606802 DQHHJZQNNVLSOI-OXTHUFEASA-N 458.938 4.499 50 1 JIGF C[C@](O)(COc1ccc(N=C=S)c(F)c1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 14970229 SNGNYAQGAZKPFL-KRWDZBQOSA-N 459.377 4.256 50 1 JIGF CCOC(=O)C(C)(C)[C@@H](CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OC(C)=O 197977467 PUEKVGYLAWMDDW-XMMPIXPASA-N 470.682 4.474 50 1 JIGF CN1CCN(CCc2ccc(NC(=O)c3ccc4nc([C@@H](Cl)CCl)[nH]c4c3)cc2)CC1 587008310 NPATYTUKDJMKSO-IBGZPJMESA-N 460.409 4.124 50 1 JIGF O=C(O)c1cccc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587537515 GXBWMNMNHUOEJL-AVRDEDQJSA-N 455.260 4.342 50 1 JIGF CCN(c1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1)S(C)(=O)=O 587609005 UFSNNUBHHFMIFY-XUZZJYLKSA-N 487.961 4.274 50 1 JIGF C[C@H](CC(=O)N(C)[C@@H]1C[C@H](CCl)[C@@H]2CC[C@@H](c3nccs3)N2C1=O)C(Cl)Cl 2356796699 NLJRRIAWGZFANL-PEBLQZBPSA-N 452.835 4.091 50 1 JIGF C[C@H](S[C@@H](C)C(=O)NN=Cc1cccc(Cl)c1)C(=O)NN=Cc1cccc(Cl)c1 254071206 RDHHPZFEIPDNPL-KBPBESRZSA-N 451.379 4.104 50 3 JIGF CC1=C(C#N)[C@@H](c2ccc(C#N)cc2S(C)(=O)=O)NC(=O)N1c1cccc(C(F)(F)F)c1 113172125 WQASVWJQEKONLG-LJQANCHMSA-N 460.437 4.049 50 1 JIGF in-vitro COc1cc([C@H]2Oc3cc(-c4oc5cc(O)cc(O)c5c(=O)c4O)ccc3O[C@@H]2CCl)ccc1O 72142635 PJPLYQVVXZAQCW-HYBUGGRVSA-N 498.871 4.411 50 1 JIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C(=O)CBr)ccc2O)N1 587673382 MMOBIDAXYUEIJH-LZVRBXCZSA-N 457.137 4.495 50 1 JIGF Cc1ccc(S(=O)(=O)N2C[C@H](Br)[C@@]3(C2)NCCc2cccc(-c4ccccc4)c23)cc1 962658175 BWBXADGQTABGLS-UKILVPOCSA-N 497.458 4.471 50 1 JIGF CC[C@@H]1O[C@H](C[C@@H]2O[C@H](C=C=CBr)C[C@@H]2Br)[C@@H](O)C[C@@H]1Br 2356825842 HUFQJQJGJFREJJ-UJQHBPNBSA-N 489.042 4.053 50 1 JIGF O=C(O)c1cccc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587537516 GXBWMNMNHUOEJL-GCJKJVERSA-N 455.260 4.342 50 1 JIGF COc1cc(-c2ccc(C(=O)NNC(=S)Nc3ccc(C)cc3)c(C)n2)cc(OC)c1OC 1857587175 SLZWXIUWZSMZNN-UHFFFAOYSA-N 466.563 4.023 50 1 JIGF Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)N/N=C\c3ccc(OC(F)F)cc3)cc2)cc1 33405823 GQBOURKCBYHDCS-DICXZTSXSA-N 487.528 4.181 50 1 JIGF CCN1C(=O)CS/C1=N\NC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccc(N(C)C)cc2)n1 1772624591 HYFVWGQRAOEMNW-GNVQSUKOSA-N 472.574 4.045 50 1 JIGF Oc1ccc2c3c1O[C@H]1c4[nH]c5c(N=C=S)cccc5c4C[C@@]4(O)[C@H](C2)N(CC2CC2)CC[C@]314 137138554 STOXPPZNSYPOHZ-GIIILEAUSA-N 471.582 4.307 50 1 JIGF COC(=O)c1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587539046 UTJOCLHLBZBMQJ-WMZHIEFXSA-N 469.287 4.431 50 1 JIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(CS(=O)(=O)c2ccccc2)N1 587848711 INYIXDXQTAQVTA-XIKOKIGWSA-N 491.220 4.187 50 1 JIGF CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)c2cccc(Oc3ccccc3)c2)C1 618008692 YRWJOKVTWAFWTK-NRFANRHFSA-N 487.691 4.390 50 1 JIGF CC(=O)NCCc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1F 587720469 RPYOLQGAPORQQH-XUSGNXJCSA-N 471.773 4.423 50 1 JIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(O[C@H](C)C(=O)NN)cc2)N1 587740424 AUOPLLLBRFHTTP-WHEFHEQHSA-N 498.396 4.172 50 1 JIGF C[C@@H]1[C@@H](CO)C[C@H]2CC3=C4CCC[C@@]5(CCNC(=N)N5)CSSCC[C@@]2(C)[C@]31CC4=O 2356774567 ARLRMZJBOIITDX-USIKAVRMSA-N 463.713 4.129 50 1 JIGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(S(C)(=O)=O)cc2)N1 587850797 RYSFXIFJVSJFHO-BBATYDOGSA-N 491.220 4.164 50 1 JIGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCc3ccc(CN4CCOCC4)cc3)O[C@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 43911336 GMFYZQUJZWTJSP-IICGJGECSA-N 473.610 4.243 50 1 JIGF COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4ccc(NC(=O)[C@@H](C)Cl)cc41)[C@@H](C2)C3=O 587417385 MDVGIIKVOZIYPT-GTNFAWDRSA-N 473.912 4.497 50 1 JIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc3c(c2)OCO3)N1 587673670 PBZXIHWTKISLEY-MLCYQJTMSA-N 457.137 4.490 50 1 JIGF CN(C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(C(=O)NNC(=O)c3ccc(F)cc3)ccc21 1857758927 XFTUTUMJPJVUQC-MHZLTWQESA-N 479.527 4.155 50 1 JIGF O=C1[C@@H](Cl)[C@@H](c2ccc(O)cc2)N1c1nnc(CNc2nnc3c4ccccc4nc-3s2)s1 40407257 AUAISBFLBXDEIZ-DOTOQJQBSA-N 495.977 4.056 50 1 JIGF Cc1ccc2c(c1)[C@]1(C(C=O)=C(N)O2)c2ccc3c(c2CCN1C(=O)OC(C)(C)C)NCCC3 961752004 UNGILWQTMQVXIB-MHZLTWQESA-N 461.562 4.152 50 1 JIGF CCCCCC[C@H](C)C=C(C)C=CC(=O)N[C@@H]1C[C@H](OC)O[C@@H]2[C@@H](Cl)C(=O)C(Cl)=C[C@]21O 2356469150 BQBNTNYXQBYKTD-VLANCOSASA-N 488.452 4.386 50 1 JIGF CC(=N)Nc1cccc(C(=O)NNC(=O)C[C@H](CC(=O)O)c2ccc(-c3ccccc3)cc2)c1 13862978 RLSLSUFDJVUGJE-JOCHJYFZSA-N 458.518 4.172 50 1 JIGF CC(C)[C@@H]1C=C[C@H](OO)[C@H]2[C@H]3[C@](C)(CC[C@@]21CBr)[C@@H](Br)C[C@@H](O)[C@@]3(C)O 49766650 SLASZMTUABGCGQ-CFAVNGNNSA-N 496.280 4.380 50 1 JIGF CC1(C)[C@@H](Br)CC[C@]2(C)C3=C[C@H](O)[C@@](C)([C@H](Br)CO)C[C@@H]3[C@@H](O)C[C@@H]12 145392880 YNSRBXHEZULCPQ-BWGZHSCJSA-N 480.281 4.026 50 1 JIGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cccc(C(=O)O)c2)N1 587672149 DBRKTXJSGDDVTI-XTZNXHDOSA-N 457.137 4.459 50 1 JIGF COC(=O)C(=C1Nc2ccccc2N1)[C@@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 587688991 OPKIMGKRALBTOG-MQJDWESPSA-N 480.765 4.479 50 1 JIGF CC(=O)c1ccc2c(c1)[C@@](C1CC1)([C@H](Cl)C(=O)C(F)F)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962635139 UGOKADXRVDLZQU-XAEMIUIASA-N 485.911 4.183 50 1 JIGF COc1cc(N2C(N)=C(C#N)[C@@H](c3ccccc3O)C3=C2CC(C)(C)CC3=O)cc(OC)c1OC 45260654 ISAPKMKIWIYPGL-HSZRJFAPSA-N 475.545 4.359 50 1 JIGF COc1cc2c3c(c1)O[C@](CBr)(c1cc(OC)c(OC)cc1Cl)[C@@H](C2)C3=O 587415832 YTXSIBSJRHZZQY-RNODOKPDSA-N 453.716 4.404 50 1 JIGF Cc1[nH]nc2c1[C@](c1cc(N3CC(F)(F)C3)cc(C(F)(F)F)c1)(C(C)C)C(C#N)=C(N)O2 1772634003 HLDPFPHLMSMZSX-FQEVSTJZSA-N 453.415 4.221 50 1 JIGF C[C@H](Oc1ccc([C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1)C(=O)NN 587509672 ILNMRMSZQOOKND-XDBZFTIUSA-N 456.542 4.232 50 1 JIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CNC(=O)CCl)(c2ccc(Cl)cc2)N1 587682797 DHOABZCHBPSDHM-NSPYISDASA-N 460.174 4.374 50 1 JIGF Cc1cc([S@@](=O)C(F)(F)[C@@H](F)Cl)ccc1NC(=O)NC(=O)c1c(F)cccc1F 31500384 JTIPEMUXUZKVLM-HOLBHBGLSA-N 454.804 4.470 50 1 JIGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1cccc(S(C)(=O)=O)c1)CC2=O 587489441 UZYZPUJAHJJYDK-FQEVSTJZSA-N 453.354 4.004 50 1 JIGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCn3nncc3-c3ccccc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1772635821 YEICTBHTEQIRMM-CLFBHSKXSA-N 455.555 4.170 50 1 JIGF COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4c(NC(=O)[C@H](C)Cl)cccc41)[C@@H](C2)C3=O 587419769 ZMCUEAGWACLWQG-FDSYCPBNSA-N 473.912 4.497 50 1 JIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)([C@H](Br)S(C)(=O)=O)N1 587847700 GWPCJTKCAAVROU-AFBMGJRZSA-N 491.220 4.132 50 1 JIGF CCCCNP(=O)(NCCCC)N1C(=O)NC(C)=C(C(=O)OCC)[C@H]1c1ccccc1 84704855 IXGGBFPNFZEQFX-HXUWFJFHSA-N 450.520 4.478 50 1 JIGF CCOC(=O)C1([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CC1 587320342 FLJQQBWYYYFHOA-PGRDOPGGSA-N 463.299 4.367 50 1 JIGF COC(=O)c1cc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1O 587537983 MDYVQCCICHPIEA-WMZHIEFXSA-N 485.286 4.136 50 1 JIGF CCOC(=O)c1c(C)[nH]c([C@]2([C@H](C)Cl)N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c1C 962968365 OKJXYYLMUVAVMB-GUEQVVBPSA-N 475.319 4.210 50 1 JIGF COc1ccccc1N1CCN(CCN(C(=O)c2ccc(CCl)cc2)c2ccccn2)CC1 13740002 KLOBRFWPXGYONN-UHFFFAOYSA-N 464.997 4.298 50 1 JIGF COc1cccc(CCc2cc(O)c(-c3c(OC)cc([C@@H]4OO[C@H]4CO)cc3OC)c(OC)c2)c1 238739296 HVCTXCDEFSHFMW-IGKIAQTJSA-N 482.529 4.243 50 1 JIGF CC(C)(C)OC(=O)N1[C@H]([C@@H](O)CC(=O)O)Cc2c([nH]c3ccccc23)[C@@]1(CCl)C(Cl)Cl 963069974 KELUMJNNBQMVKB-GXZWQRSESA-N 491.799 4.403 50 1 JIGF O=C(CCCCCCC(=O)Nc1ccccc1O)N/N=C/c1ccc(I)cc1 95808885 TWRMKMRVLUNWAN-HZHRSRAPSA-N 493.345 4.426 50 1 JIGF Oc1ccc2c3c1O[C@@H]1c4[nH]c5cc(N=C=S)ccc5c4C[C@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 253687034 HLCHHTQVTBACKD-YICISRLPSA-N 471.582 4.307 50 1 JIGF O=C(O)COc1ccccc1/C=N\NC(=O)Cc1csc(Nc2cccc(C(F)(F)F)c2)n1 15988056 TZYCJQGYAOUYGY-MRUKODCESA-N 478.452 4.062 50 1 JIGF CC(C)[C@@H]1C[C@H](O)C=C2[C@@H]3[C@](C)(O)[C@H](O)C[C@H](Br)[C@]3(C)CC[C@]21CBr 2356649266 GYAWJQDSSUBDTF-SVFBVEKHSA-N 480.281 4.026 50 1 JIGF CC(C)[C@@H]1CC[C@H](O)[C@@H]2[C@@H]3[C@](C)(O)C(=O)C[C@H](Br)[C@]3(C)CC[C@@]12CBr 2356682939 BIVHKSWAKLEJQJ-MCQMHLQCSA-N 480.281 4.314 50 1 JIGF N#Cc1cc2c(nc1O)CC[C@H](Br)[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587320459 AFMMLQDGOXZABP-IMSXRSKXSA-N 495.304 4.468 50 1 JIGF CCOc1cc([C@H]2C(C#N)=C(C)NC3=C2[C@@]2(CC(C)(C)C3)c3c(cnn3C)CCN2C)ccc1O 963956135 VEPSXHPVZQNXFN-CUBQBAPOSA-N 473.621 4.466 50 1 JIGF CC(C)(C)[Si](C)(C)O[C@@H]1CC[C@@]2(C)[C@H](C/C=C3/C(=O)OC[C@H]3O)[C@]3(CC[C@@H]2[C@]1(C)CO)CO3 1857635402 MMSUDXPTHLZGGS-SSGWBGPFSA-N 480.718 4.205 50 1 JIGF COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc4oc(-c5ccccc5)cc(=O)c4c(O)c32)c1OC 1911571177 UOBHOLCUYZCRTK-JOCHJYFZSA-N 468.465 4.401 50 1 JIGF C[C@](O)(COc1ccc(N=C=S)cc1F)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 14970244 KQQJUHFURIQRFG-KRWDZBQOSA-N 459.377 4.256 50 1 JIGF COc1cc2c3c(c1)O[C@@](c1ccc(Cl)cc1)([C@@H](Br)CC(=O)O)[C@@H](C2)C3=O 587413326 GUUUSQUYDRRMOF-DKICVRJWSA-N 451.700 4.230 50 1 JIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc3c(cc2NC(=O)CCl)OCO3)N1 587684018 JEPRIGUIHJYRJP-SBKAZYGRSA-N 469.738 4.292 50 1 JIGF COc1ccc(-c2cs/c(=N/NC(=O)CSc3nnc(C)s3)n2-c2ccccc2)cc1 103238653 RTDJETILHYTKPX-HIXSDJFHSA-N 469.617 4.099 50 1 JIGF CC1=C[C@]2(C(C#N)=C3CCCN13)c1[nH]c3ccccc3c1C[C@@H](C(=O)O)N2C(=O)c1ccccc1 963418384 SNFRRXVPOUVDNV-CUBQBAPOSA-N 464.525 4.306 50 1 JIGF O=C(N/N=C/c1cc(Br)ccc1O)c1cc(Br)cc(Br)c1 1857599061 FNQDNQPBFHHOOE-CNHKJKLMSA-N 476.950 4.444 50 1 JIGF CO[C@H](C)C=CC[C@H](Br)[C@@H]1C[C@H](Cl)[C@H](C[C@@H](O)C=C=CBr)O1 2356794344 LCGVBLFGBCKPGB-HFIUPHGYSA-N 458.618 4.311 50 1 JIGF COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4c(NC(=O)[C@@H](C)Cl)cccc41)[C@@H](C2)C3=O 587419770 ZMCUEAGWACLWQG-USXXSAIHSA-N 473.912 4.497 50 1 JIGF COc1ccccc1C(=O)[C@H](Cl)[C@@]1(c2ccccc2OC)N[C@H](C(=O)O)Cc2cc(F)ccc21 962893063 FYFDINCFDKFYSR-OCDQVXHZSA-N 483.923 4.176 50 1 JIGF CCCCOc1c(B(O)O)cc(C)cc1[C@@H]1c2ccccc2CCN1[C@@H](C#N)c1ccccc1 963189836 MJVNVSOBTJPVBS-SVBPBHIXSA-N 454.379 4.066 50 1 JIGF Cc1cccc(C(=O)NNC(=O)c2ccc3c(c2)CO[C@]3(CCCN(C)C)c2ccc(F)cc2)c1 1857641412 NHTYFSDJFPMEDU-MUUNZHRXSA-N 475.564 4.325 50 1 JIGF Cn1cccc1C(=O)NNC(=O)c1ccccc1Nc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1 38748939 AMVBYWXQGKQWBD-WYMLVPIESA-N 477.528 4.285 50 1 JIGF COc1cc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(F)cc1O 587557311 MOLBXMPXWKCCIX-DENIHFKCSA-N 475.266 4.498 50 1 JIGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)([C@@H]1CCCN(C(=O)OC(C)(C)C)C1)O2 587372457 IVAOKYKOOHNVFB-SPLOXXLWSA-N 453.377 4.323 50 1 JIGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc3c(cc2NC(=O)CCl)OCO3)N1 587685928 SCZGMFSEUMJVPN-FVINQWEUSA-N 469.738 4.292 50 1 JIGF CC(=O)Nc1ccc([C@]2([C@H](C)Cl)N[C@@H](C(=O)O)Cc3c(C(F)(F)F)cc(F)cc32)cc1 962703139 HVFIJQDLCYRVHA-XGGWZBKUSA-N 458.839 4.273 50 1 JIGF CCCCOc1c(B(O)O)cc(C)cc1[C@H]1c2ccccc2CCN1[C@@H](C#N)c1ccccc1 963189831 MJVNVSOBTJPVBS-RRPNLBNLSA-N 454.379 4.066 50 1 JIGF COC(=O)[C@@H]1C[C@@H](Br)C2=C3[C@@](C)(C[C@H](c4ccoc4)O2)[C@@H](C(=O)O)CC[C@]31C 64539989 FEFMJOPUFJIWMP-IVQNYLITSA-N 453.329 4.459 50 1 JIGF COc1cc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(F)cc1O 587557312 MOLBXMPXWKCCIX-KNQAVFIVSA-N 475.266 4.498 50 1 JIGF Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)NCCNC(=O)CCCC[C@H]1CCSS1)O2 27427565 NEBNYACSMLWNQA-UUOWRZLLSA-N 480.696 4.348 50 1 JIGF CCOC(=O)[C@@H]1CCC[C@H](Br)[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587542328 GOBDJYXTEOHMFV-XKTJCTHUSA-N 461.308 4.219 50 1 JIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc3c(cc2NC(=O)CCl)OCO3)N1 587684016 JEPRIGUIHJYRJP-CFMSYZGJSA-N 469.738 4.292 50 1 JIGF COc1cc2c(cc1OC)[C@@](CBr)(c1ccc([N+](=O)[O-])c(OC)c1)N(C)[C@H](C)C2 962560481 CGOGJZZIYBQERF-LRTDBIEQSA-N 465.344 4.136 50 1 JIGF COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccc5ccccc45)c32)cc(OC)c1OC 986031 TXHMUTKBISUOQS-OAQYLSRUSA-N 454.486 4.474 50 1 JIGF Cc1ccnc(NCCCCC(=O)NNC(=O)C[C@H](CC(=O)O)c2ccc(-c3ccccc3)cc2)c1 13472609 PACDIVMUVSJXND-XMMPIXPASA-N 488.588 4.435 50 1 JIGF CCOC(=O)c1c(NC(=O)CCl)sc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C 587449757 COPGYDPJSBWRFS-MCMMXHMISA-N 463.939 4.082 50 1 JIGF O=C(NN=C1C[C@@H]2[C@H](OC(=O)c3ccccc3)C[C@H](OC(=O)c3ccccc3)[C@@H]2C1)c1ccncc1 1857576052 YNBYGPFBBQMNBB-UCDDGIFISA-N 483.524 4.049 50 1 JIGF COC(=O)c1cc2c3c(cc(O)c2[nH]1)N(C(=O)c1cc2cc(NC(C)=O)ccc2[nH]1)C[C@H]3CCl 49784566 PBSPFELMEIUJHI-CYBMUJFWSA-N 480.908 4.083 50 1 JIGF O=C([C@@H]1NN2[C@H](N[C@H](c3cccs3)C[C@@H]2C(F)(F)F)[C@@H]1Cl)N1CCC[C@@H]2CCCC[C@@H]21 254046389 CRMJZPWOTGBJOQ-HXEWTNOOSA-N 476.996 4.017 50 1 JIGF Cc1c(O)ccc2c1[C@@](c1ccc(F)cc1)([C@@H](Cl)C(=O)c1ccc(F)cc1)N[C@H](C(=O)O)C2 963475042 ZMRLJKIKUSMGIQ-QXWFJRNPSA-N 471.887 4.312 50 1 JIGF O=C(NCC(=O)N1c2ccccc2Sc2ccccc21)NN1C(=O)[C@H](Cl)[C@@H]1c1cccc(F)c1 103199308 JBZJYYAHDSYYCF-YADHBBJMSA-N 496.951 4.360 50 1 JIGF CCCc1c(O)ccc2c1O[C@@](CCl)([C@H](C#N)C(=O)NCc1ccc(Cl)cc1)CC2=O 587457853 COZYYKYTDPZNIC-JPYJTQIMSA-N 461.345 4.397 50 1 JIGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(S(C)(=O)=O)cc2)N1 587850798 RYSFXIFJVSJFHO-VOJFVSQTSA-N 491.220 4.164 50 1 JIGF O=C1C(O)=C([C@H](NCCCCl)c2cc(Br)ccc2O)C(=O)c2ccccc21 653857479 CBCISFONTTYOSV-QGZVFWFLSA-N 450.716 4.306 50 1 JIGF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@](CBr)(c2cncc(F)c2)N1 963176572 ISMSNWXVPSTDME-LRDDRELGSA-N 467.644 4.130 50 1 JIGF CCS(=O)(=O)N1CCc2cc([C@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 587608492 RAHZDNUWFOIWSV-RDGATRHJSA-N 499.972 4.200 50 1 JIGF NNC(=O)c1ccc(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)s1 587897442 CYTDNEOXPALUQA-UHFFFAOYSA-N 458.370 4.036 50 1 JIGF COC1=CC(=CNNC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)C=C(OC)C1=O 13120351 TUNDXNHTSLHTMW-UHFFFAOYSA-N 461.905 4.317 50 3 JIGF CC(C=O)=C[C@H](C)[C@@H]1CC(C)=CC=CCC[C@H](OC(=N)O)[C@@H](O)C=C[C@H](O)CCCC=CC(=O)O1 2356542309 XKGDMUIDORFBTK-YCXOGWGTSA-N 489.609 4.248 50 1 JIGF COc1cc(N2C(N)=C(C#N)[C@@H](c3ccc(O)cc3)C3=C2CC(C)(C)CC3=O)cc(OC)c1OC 45285354 XBCGUUVSPOPKIC-HSZRJFAPSA-N 475.545 4.359 50 1 JIGF COc1cc(C(=O)c2cc3cc(NC(=O)CI)ccc3o2)cc(OC)c1OC 653803269 HJYQWWCAMGFQRW-UHFFFAOYSA-N 495.269 4.063 50 1 JIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)([C@@H]2CCCN2C(=O)C(F)(F)F)N1 587711338 WTRBPFKNKQQWDM-ABYOOWDOSA-N 457.693 4.110 50 1 JIGF CC(=O)NCCc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1F 587722244 XOXYJPHXNRJZFW-XUSGNXJCSA-N 471.773 4.423 50 1 JIGF C[C@@]12CCSSC[C@]3(CCCC4=C5C[C@H]1C[C@H](CO)[C@H]1CC=C[C@@H](C4=O)[C@@]512)CCNC(=N)N3 2356680944 ZDHOLSMBJYCLCM-UGCPIEIFSA-N 487.735 4.295 50 1 JIGF CCOC(=O)[C@@]12Cc3ccc(F)c(c3C1)[C@@](CCl)(c1cscn1)N2C(=O)OC(C)(C)C 962701552 APALPNRAXNNAHQ-FGZHOGPDSA-N 466.962 4.416 50 1 JIGF C[C@](O)(C=C[C@H](Br)[C@](C)(Cl)[C@H](Br)CCl)CBr 2356844588 NXCMLIMTXQQDHL-JXUBOQSCSA-N 461.847 4.452 50 1 JIGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587009891 WXXNZCOSEXOAPH-HNNXBMFYSA-N 476.718 4.354 50 1 JIGF N#C[C@H](C(=O)NCc1ccc(Cl)cc1)[C@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587545392 RKDNHUDKRBZTJW-QLWBXOBMSA-N 497.334 4.441 50 1 JIGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1nc[nH]n1 587545615 RUPVDYVTMUKRCH-AUSIDOKSSA-N 450.882 4.014 50 1 JIGF Cc1ccc(N2C(=O)[C@@H](Cl)[C@@]23C(=O)Nc2c(Br)cc(Br)cc23)cc1 103222470 DOLCJDWTYXDTMH-PBHICJAKSA-N 470.548 4.322 50 1 JIGF C[C@]1([C@H](Cc2ccccc2)NC(=O)CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587546719 XJPLZCFYYIKYKT-NIRIFSCTSA-N 451.906 4.079 50 1 JIGF COc1cc2c(cc1OC)[C@@](CBr)(c1ccc([N+](=O)[O-])c(OC)c1)N(C)[C@@H](C)C2 962560483 CGOGJZZIYBQERF-YEJXKQKISA-N 465.344 4.136 50 1 JIGF COc1cc2c(cc1OC)[C@@H](c1ccc(OCCBr)c(OC)c1)N(C)[C@@H](C)C2 962637277 WGLMKIGIGSXTKH-RCDICMHDSA-N 450.373 4.452 50 1 JIGF CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc3c(c1)C[C@@H](C)N3S(C)(=O)=O)CC2=O 587490294 WUKPGPOLZQYJOH-QKFKETGDSA-N 463.983 4.155 50 1 JIGF O=Cc1cc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1O 587537506 GNMLNXMOVUEXQP-KNQAVFIVSA-N 455.260 4.162 50 1 JIGF Cc1ccc(S(=O)(=O)C[C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587605417 CJYFTBWPJHRPOM-REWPJTCUSA-N 458.919 4.114 50 1 JIGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc3c(c1)NC(=O)[C@@H](C)O3)CC2=O 587456280 LYTLMDMOFADABL-VERVWZFWSA-N 460.324 4.320 50 1 JIGF O=C(O)C[C@H](Br)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587537359 DGJFIRUILAYCNB-NOXFTYBFSA-N 469.287 4.488 50 1 JIGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C(=O)CBr)ccc2O)N1 587673384 MMOBIDAXYUEIJH-YYSFKGJASA-N 457.137 4.495 50 1 JIGF COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccccc2)c2ccccc2)CC1 1857544168 QAESTHCUZJPQGF-UHFFFAOYSA-N 473.621 4.128 50 1 JIGF CC1(C)[C@@H]2CC[C@@]1(C)/C(=N/NC(=O)[C@H]1[C@H]3C(=O)N4c5ccccc5S[C@H]4[C@@]34C=C[C@]1(C)O4)C2 1857557535 SZZRHBIUQZNCQD-YSTNXMTCSA-N 463.603 4.113 50 1 JIGF C[C@](O)(CSc1ccc(NC(=O)CCl)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 3817264 HHSHETLZYRKYOK-IBGZPJMESA-N 471.888 4.236 50 1 JIGF COc1cc2c3c(c1)O[C@@](c1ccc(Br)cc1)([C@H](Br)CC(=O)O)[C@@H](C2)C3=O 587415985 ZQYWDDVZANGNIF-YYFZDKIDSA-N 496.151 4.339 50 1 JIGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCN3CCN(Cc4ccccc4)CC3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 103105680 QTOQSQWTQRYWPQ-YFMOHQJJSA-N 470.654 4.445 50 1 JIGF COC(=O)[C@]1([C@H](Br)C(=O)c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587669246 CIEKSLOJTLOFPC-RTXGADQUSA-N 499.174 4.137 50 1 JIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc3c(c2)NC(=O)CO3)([C@@H](C)Cl)N1 587689173 QLZDEBFMOXRXQT-SUTOTMHJSA-N 453.739 4.324 50 1 JIGF NNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1cccc(F)c1)[C@H](Cc1ccccc1)CCC3 28345933 VOXKBJPSSJMMPV-INIZCTEOSA-N 494.617 4.331 50 1 JIGF CC(C)Oc1ccc(/C=N/NC(=O)CCN2CCN(c3ccnc4cc(Cl)ccc34)CC2)cc1 103248315 CGCHGOYBJOWHPL-RDRPBHBLSA-N 480.012 4.338 50 1 JIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(/C(C#N)=C2/NC(=O)c3ccccc3N2)N1 587689135 PYBWXMMCJQURBE-WVISPNRDSA-N 475.749 4.147 50 1 JIGF N#Cc1cnn2c(Nc3cccc(N(CCCl)CCCl)c3)cc(CN3CCCC3)nc12 1772611135 DZBLJERUXIARGB-UHFFFAOYSA-N 458.397 4.224 50 1 JIGF C=C1CC[C@@H](OO)C(=C)CC[C@@H]2C([C@H](OC(C)=O)[C@H](C=C(C)C)OC(C)=O)=CO[C@H](OC(C)=O)[C@H]12 2356421389 HVAHZTRJIMZNBH-VVEBRMHDSA-N 492.565 4.396 50 1 JIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)([C@H]2CCCN2C(=O)C(F)(F)F)N1 587711341 WTRBPFKNKQQWDM-VYROHLMNSA-N 457.693 4.110 50 1 JIGF COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H](Br)C(C)(C)OC)[nH]c2c1 586970743 FQZOKJQRDCYBEF-KRWDZBQOSA-N 468.373 4.233 50 1 JIGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ccc(N2CCOC2=O)cc1 587545978 ULGJZTBAFNPPLL-YKSBVNFPSA-N 451.862 4.445 50 1 JIGF COC(=O)C(C)(C)[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587322502 MUZQFJYDHPOAIR-LAUBAEHRSA-N 451.288 4.223 50 1 JIGF COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C(=O)C(Cl)(Cl)Cl)n(C)c1)[C@@H](C2)C3=O 587417225 KAVKIGVHPHGZPC-SGTLLEGYSA-N 463.144 4.468 50 1 JIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(O)c(C=O)c2)N1 587673898 RHEATSWKCBNHIU-MLCYQJTMSA-N 457.137 4.279 50 1 JIGF CC1(C)[C@@H]2CC[C@@]1(C)/C(=N/NC(=O)[C@@H]1[C@H]3C(=O)N4c5ccccc5S[C@H]4[C@@]34C=C[C@]1(C)O4)C2 1857557536 SZZRHBIUQZNCQD-ZXDPLNKBSA-N 463.603 4.113 50 1 JIGF COc1cc2c3c(c1)O[C@@](c1ccc([N+](=O)[O-])cc1)(C(Br)Br)[C@@H](C2)C3=O 587412935 FGORIBXZKMTQHC-SCLBCKFNSA-N 483.112 4.362 50 1 JIGF O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCN(c2nc(C3=NO[C@@H](c4ccccc4)C3)cs2)CC1 653847544 SMVZCHXCMBHRPE-OAQYLSRUSA-N 479.518 4.238 50 1 JIGF O=C(O)c1ccc([C@@]2(CBr)N[C@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)cc1 963177197 JHMHYBIMKHEMDH-MAUKXSAKSA-N 492.675 4.294 50 1 JIGF CC(=O)O[C@@H]1C[C@](C)(Cl)[C@H](Br)C[C@@H]1[C@]1(C)OC(C)(C)[C@@H](Br)C[C@@H]1O 2356580361 TXUIEJDHDWIUIB-XGSBGXKVSA-N 490.660 4.171 50 1 JIGF Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NCCNC(=O)CCCC[C@@H]1CCSS1)O2 27427548 NEBNYACSMLWNQA-HOYKHHGWSA-N 480.696 4.348 50 1 JIGF COC(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1CBr 587874651 FDETXAYYUUZYPN-UHFFFAOYSA-N 469.162 4.385 50 1 JIGF O=C(/C=C/c1ccc(O)c(O)c1)NCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 1772584669 BGHQTSDFILHJFH-UHFFFAOYSA-O 468.513 4.221 50 1 JIGF Cc1nc(C)c([C@]2(CBr)N[C@@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)o1 963181717 RBBVJQWCJJFXHP-BDJLRTHQSA-N 467.669 4.201 50 1 JIGF C/C(=N\NC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1Cc1ccccc1)c1ccc(Cl)cc1 1857758252 XFGGITNRFLPLAB-WGOQTCKBSA-N 481.961 4.312 50 1 JIGF CCOC(=O)C1=C(C)N(c2ccc(F)cc2F)C(=N)[C@@]12C(=O)C(Cl)=C(Cl)C(O)=C2C#N 71316628 YWZZBSSHMUKQDX-HXUWFJFHSA-N 468.243 4.193 50 1 JIGF CC(C)(C)OC(=O)N[C@H](CCCCCB(O)O)C(=O)Nc1ccc(Oc2ccccc2)cc1 195132492 XFTNBUGRLBJAEZ-OAQYLSRUSA-N 456.348 4.344 50 1 JIGF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@](CBr)(c2cccc(Br)c2)N1 963231005 RNLGGWMVTHUSFX-ICSRJNTNSA-N 476.168 4.235 50 1 JIGF O=C(N/N=C/c1ccc(-c2cccs2)s1)c1nnc(O)c2nc(-c3ccccc3)ncc12 1911574053 SOHNFNTZBUMKEB-BHGWPJFGSA-N 458.528 4.346 50 1 JIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cccc(C(=O)O)c2)N1 587673529 NTLZSDIDNRRIGJ-MGNBDDOMSA-N 457.137 4.459 50 1 JIGF CCN(c1ccc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1)S(C)(=O)=O 587842296 UDEHLSGJSRIPCH-ZUOKHONESA-N 489.838 4.391 50 1 JIGF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@](CBr)(c2cccc3c2OC(F)(F)C(F)(F)O3)N1 962911182 YVSOQAGBPQVJQO-YVEFUNNKSA-N 494.210 4.020 50 1 JIGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc3c(c2)OCO3)N1 587673675 PBZXIHWTKISLEY-YPMLDQLKSA-N 457.137 4.490 50 1 JIGF CO[C@H](C)C=CC[C@H](Br)[C@@H]1C[C@H](Cl)[C@@H](C[C@@H](O)C=C=CBr)O1 2356794343 LCGVBLFGBCKPGB-DHQMYUCXSA-N 458.618 4.311 50 1 JIGF COc1cc(C(=O)c2cc3cc(NC(=O)CBr)ccc3s2)cc(OC)c1OC 103233934 VQGVVXQNVJECBT-UHFFFAOYSA-N 464.337 4.492 50 1 JIGF CC(C)[C@@H]1C[C@H](O)C=C2[C@@H]3[C@](C)(O)[C@H](O)C[C@H](Br)[C@]3(C)CC[C@@]21CBr 2356649263 GYAWJQDSSUBDTF-BEEYJRGMSA-N 480.281 4.026 50 1 JIGF COc1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3ccccc3Br)cc2)cc1 1021110 NGCCROHXEYJZRC-ZVHZXABRSA-N 452.308 4.474 50 3 JIGF CC(C)(C)OC(=O)N1CC[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@@H](Br)C1 587546286 VLMVETSJTUOYSI-IXFSTUDKSA-N 490.350 4.497 50 1 JIGF COc1ccc([C@@H]2CC(c3ccc(OC)c(OC)c3)=NN2C(=O)[C@@H](C)Br)c(OC)c1 43060933 VLTTVRKTIQTJDZ-ACJLOTCBSA-N 477.355 4.182 50 1 JIGF CN(CCOc1ccc(C[C@@H]2SC(=O)NC2=O)cc1)C(=O)CCCC[C@@H]1CCSS1 13917455 DPKRZECBZUCROC-MSOLQXFVSA-N 468.666 4.132 50 1 JIGF Cc1ccc(S(=O)(=O)C[C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587605415 CJYFTBWPJHRPOM-NZQKXSOJSA-N 458.919 4.114 50 1 JIGF COC(=O)[C@]1([C@@H](Br)C(=O)c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587669245 CIEKSLOJTLOFPC-PEECDGGASA-N 499.174 4.137 50 1 JIGF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@](CBr)(c2cncc(F)c2)N1 963176571 ISMSNWXVPSTDME-BLLLJJGKSA-N 467.644 4.130 50 1 JIGF C[C@H](CC(=O)N[C@@H]1C[C@H](C(Cl)Cl)[C@H]2CC[C@@H](c3nccs3)N2C1=O)C(Cl)Cl 2356800897 RFJXPGGWBASBCA-ROHXPCBUSA-N 473.253 4.314 50 1 JIGF N=C(CCl)N(N)S(=O)(=O)c1cc(Cl)c(Oc2ccc([N+](=O)[O-])cc2Cl)c(Cl)c1 13555449 YKYDITUQZQFOQD-UHFFFAOYSA-N 488.136 4.428 50 1 JIGF O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C\c1ccc(Br)cc1)c1cccs1 33393533 OHFBWJDDFOHHKS-SNWZXBDOSA-N 495.402 4.483 50 1 JIGF CN(C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)N(C#N)CCCc1ccccc1 96926991 DWANVIVMJRJCGC-SANMLTNESA-N 470.573 4.313 50 1 JIGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2c(Br)cnc(Cl)c2[nH]1 587009986 YOUCAJKZELAIGE-ZDUSSCGKSA-N 467.154 4.494 50 1 JIGF C[C@@H]1Cc2cc([C@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc2N1S(C)(=O)=O 587610311 XIPZXMGBINDPEU-YQYBNWHVSA-N 499.972 4.199 50 1 JIGF COC(=O)CCCn1c(C)cc([C@]2(CCl)c3c(ccc(OC)c3OC)C[C@H](C)N2C)c1C 962644586 YWFUQMRBDLEUEF-IVCQMTBJSA-N 463.018 4.434 50 1 JIGF CCCCCC[C@H](C)C=C(C)C=CC(=O)N[C@@H]1CO[C@@H]2[C@H](Cl)C(=O)C(Cl)=C[C@@]2(O)C1 2356604748 FOYHOCBUHQKEDQ-YCFYHGLOSA-N 458.426 4.413 50 1 JIGF C[C@@]1(c2cc3c(cc2NC(=O)CCl)OCO3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587545611 RTRHMFJNPXGGFP-QPPBQGQZSA-N 467.861 4.175 50 1 JIGF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)CCCNC(=O)CI 13603141 ZHEDYPAJPNWWBD-IDNQLYMWSA-N 497.417 4.311 50 1 JIGF COc1cc(Br)cc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)c1O 95809037 SWPAFIXYCGYFLU-ZVHZXABRSA-N 492.370 4.298 50 1 JIGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Br)cc1)([C@H](Br)CC(=O)O)O2 587371725 FVRZMHHEJJHABG-APWZRJJASA-N 483.156 4.439 50 1 JIGF O=C(CBr)c1ccc(O)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587537467 FRXJMQMLAXQPII-UGKGYDQZSA-N 455.260 4.378 50 1 JIGF CC(=O)O[C@@H]1C[C@H](Br)C(C)(C)O[C@]1(C)[C@@H]1C[C@H](Br)[C@](C)(Cl)C[C@@H]1O 2356462666 ATUFLYZIGVYGQQ-DDQDCPAISA-N 490.660 4.171 50 1 JIGF O=C(NNC(=O)c1cc2ccccc2cc1O)c1ccc2[nH]c(-c3ccc([N+](=O)[O-])s3)nc2c1 66066651 PHXFPHWLKFSKSV-UHFFFAOYSA-N 473.470 4.133 50 1 JIGF COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4ccc(NC(=O)[C@H](C)Cl)cc41)[C@@H](C2)C3=O 587417389 MDVGIIKVOZIYPT-LOPDZYFUSA-N 473.912 4.497 50 1 JIGF CCOC(=O)[C@@H]1CCC[C@H](Br)[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587542326 GOBDJYXTEOHMFV-SVJMLJPDSA-N 461.308 4.219 50 1 JIGF COc1ccc(OC)c2c1C[C@H](C)N[C@]21C(Cl)=C(NC(=O)C(Cl)Cl)C(=O)c2ccccc21 963642427 YQAQRMOJLPUDRA-RULNZOCKSA-N 495.790 4.048 50 1 JIGF O=C1[C@@H](Cl)[C@@H](c2ccccc2)N1c1nnc(CNc2nnc3c4ccccc4nc-3s2)s1 40916449 WNSNAGRUZGVOOS-DOTOQJQBSA-N 479.978 4.350 50 1 JIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)([C@@H](C#N)C(=O)NCc2ccccc2)N1 587686683 DFGUAAYUZBEMID-ZQWRNJAYSA-N 464.766 4.013 50 1 JIGF CC(=O)O[C@@H]1C[C@](C)(Cl)[C@H](Br)C[C@@H]1[C@]1(C)OC(C)(C)[C@@H](Br)C[C@H]1O 2356580354 TXUIEJDHDWIUIB-KGPLQCNFSA-N 490.660 4.171 50 1 JIGF CC(C)(C)OC(=O)N1CC[C@@H]1[C@]1(CCl)N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963191126 YPWDDNPETHCPPM-VPZZIHKRSA-N 483.314 4.401 50 1 JIGF N#C/C(=C\C1CC1)C(=O)N1CCC[C@@H](n2nc(-c3cccc(C(F)(F)F)c3)c3c(N)ncnc32)C1 1857563276 BSNIWEVTXGVSRH-QJKHOBJASA-N 481.482 4.118 50 1 JIGF Nc1ncnc(NCC2CCN(C(=O)CCl)CC2)c1-c1ccc(Oc2ccccc2)cc1 205515150 WIYPBPVEJSVUFF-UHFFFAOYSA-N 451.958 4.407 50 1 JIGF CCCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@H](O)C[C@]21C 253635225 DERCOWNWEPPIHD-PWLHWOGQSA-N 481.004 4.493 50 1 JIGF N[C@@H](Cc1ccccc1)C(=O)N1[C@H](C(=O)O)Cc2ccc(O)cc2[C@]1(CCCCl)c1cccs1 963707535 ZNTDHLHKPBFLTB-AOJNWGRGSA-N 499.032 4.124 50 1 JIGF COc1ccc2c(c1)[C@@]1(C(C=O)=CO2)c2c(C)cccc2C[C@H](CC(=O)O)N1C(=O)OC(C)(C)C 963856280 WLAMMLXCUSJSFT-WINIVTDRSA-N 479.529 4.359 50 1 JIGF CC(C)Oc1ccc(/C=N\NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)cc1 33342615 JHHBSGKHGCAVIJ-ONUIUJJFSA-N 465.575 4.204 50 1 JIGF CC1(C)[C@H]2CC[C@@]1(C(=O)O)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)[C@@H]2Br 587546012 UNEKRKQIADVTPC-DXBVTVOYSA-N 473.319 4.377 50 1 JIGF Cc1[nH]nc2c1[C@](c1cc(-c3cccn(C)c3=O)cc(C(F)(F)F)c1)(C(C)C)C(C#N)=C(N)O2 1772651841 NZRPFJSEJLYPLP-QHCPKHFHSA-N 469.467 4.131 50 1 JIGF C=C1C[C@H]2O[C@@H]([C@@H]3[C@H](C(C)C)[C@H](O)C[C@](C)(OC(C)=O)[C@H]23)[C@@](C)(OC(=O)CCC)CC[C@H]1OO 2356536071 OMSNLYUISSVECK-KMCUXPAGSA-N 482.614 4.045 50 1 JIGF CC(=O)O[C@@H]1C[C@H](Cl)C=C[C@H](C=C=CBr)O[C@H](C)[C@H]2O[C@H]1C[C@@H]2Br 2356798282 PBJXAHUANQJORC-LPZHIKMHSA-N 484.612 4.244 50 1 JIGF C[C@H](Cl)[C@]1(c2ccc3c(c2)NC(=O)CO3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587544915 PNPFRXYBNXVVMZ-MLORMASFSA-N 451.862 4.208 50 1 JIGF C[C@H](Cl)[C@@]1(c2ccc(NS(C)(=O)=O)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587839907 JEZKAPHPWJJNJG-UFYHVXEKSA-N 475.811 4.365 50 1 JIGF CC(=O)O[C@]1(C(=O)SCCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 27193945 JYIWCXJYRLIQIK-QZIXMDIESA-N 485.017 4.361 50 1 JIGF CCCCOc1ccc([C@H]2[C@@H]3CN(C(=O)OCC)CCC3=C(C#N)C(=N)C2(C#N)C#N)cc1OC 169686636 RUCBDRKYNSRUEO-OFNKIYASSA-N 475.549 4.323 50 1 JIGF O=C(NNC(=O)c1oc2nc(C(F)(F)F)ccc2c1NC(=O)c1ccccc1)c1ccccc1 653705329 OGDQCJLCKGJVBM-UHFFFAOYSA-N 468.391 4.174 50 1 JIGF COc1cc2c(cc1OC)[C@]1(C[C@H]2NC(=O)CCl)c2ccsc2CCN1Cc1cccnc1 962994736 LTMKORQEUBTFPE-NLFFAJNJSA-N 484.021 4.262 50 1 JIGF CCCCCC[C@H](C)C=C(C)C=CC(=O)N[C@@H]1C[C@]2(O)C=C(Cl)C(=O)[C@H](Cl)[C@@H]2O[C@H]1OC 2356665331 BZCAAMLTKGWGQU-PGFQGTHKSA-N 488.452 4.386 50 1 JIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@H](Br)S(C)(=O)=O)N1 587847702 GWPCJTKCAAVROU-HWOJHCLVSA-N 491.220 4.132 50 1 JIGF CC(=O)O[C@@H]1C[C@H](Br)C(C)(C)O[C@]1(C)[C@@H]1C[C@H](Br)[C@@](C)(Cl)C[C@H]1O 2356462665 ATUFLYZIGVYGQQ-CFFDGYAUSA-N 490.660 4.171 50 1 JIGF C[C@](O)(CSc1cccc(NC(=O)CCl)c1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 13805072 BAFVPFXQMSJIJR-IBGZPJMESA-N 471.888 4.236 50 1 JIGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](CBr)(c2ccc3c(c2)NC(=O)[C@H](C)O3)N1 962941418 DTUJBQWMUKHDTH-WXQIDZRNSA-N 454.368 4.450 50 1 JIGF Cc1c(O)ccc2c1C1(N[C@H](C(=O)O)C2)C(CCl)(CCl)CCC1(CCl)CCl 963490625 LJFMNESPNHLNET-ZDUSSCGKSA-N 455.209 4.217 50 1 JIGF N#Cc1cnn2c(Nc3cccc(Br)c3)cc(CN(CCCl)CCCl)nc12 1772577969 IITQQOUOKGTZCG-UHFFFAOYSA-N 468.186 4.387 50 1 JIGF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)CCCNC(=O)CBr 13603138 PRIHXVNUNLUUPA-IDNQLYMWSA-N 450.417 4.271 50 1 JIGF CCC(=O)O[C@@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@]3(F)[C@H](O)C[C@@]21C 1857538787 BDSYKGHYMJNPAB-MUYQOBDSSA-N 484.967 4.051 50 1 JIGF C[C@](O)(C=C[C@H](Br)[C@](C)(Cl)[C@@H](Br)CCl)CBr 2356844590 NXCMLIMTXQQDHL-XKNYDFJKSA-N 461.847 4.452 50 1 JIGF C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)CC1CC1)C(=O)CCl 40684987 XULNEUJKZGYNOW-JLWJLQCMSA-N 493.015 4.493 50 1 JIGF CCN(CC)C(=O)c1ccc(C(=O)OCC[C@@H]2CCC[C@@H]3CC[C@@]4(C)OO[C@@]23[C@@H](OC)O4)cc1 43328074 HZHZRUSSMBRIGG-JILMNHAFSA-N 475.582 4.332 50 1 JIGF O=C([C@H]1Cc2ccccc2[C@](CCl)(c2ccc(I)cc2)N1)C(F)(F)F 962729718 JVQAFGRRYJEZML-WBVHZDCISA-N 479.667 4.419 50 1 JIGF CN(C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(C(=O)NNC(=O)c3ccccc3)ccc21 1857758954 FHULOFWVDUKGSX-MHZLTWQESA-N 461.537 4.016 50 1 JIGF Cc1nn(-c2ccccc2)c(C)c1/C=N\NC(=O)c1cc(-c2ccc(Br)s2)[nH]n1 8670407 ZMKRMFVGLSCANA-JJFYIABZSA-N 469.368 4.467 50 1 JIGF CNC(=O)OCCCn1c(-c2cc3ccccc3s2)c(C2=C(C#N)C(=O)NC2=O)c2ccccc21 40514463 QTMJQUMMYIQTRR-UHFFFAOYSA-N 484.537 4.203 50 1 JIGF CC(=O)NCCc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1F 587559874 ZXGBOPCXLWBDIS-RDGATRHJSA-N 469.896 4.306 50 1 JIGF COc1ccc2c(c1)[C@](CBr)(c1ccc3c(c1)NC(=O)[C@H](C)O3)N(C(C)C)CC2 962095577 VLOUDUVBNRVCBC-WNSKOXEYSA-N 459.384 4.320 50 1 JIGF COc1ccc2c3c1O[C@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42C=C[C@@]1(OC)[C@H]([C@H](C)N=C=S)C2 36311353 CBPASLHMRDUOQC-VFDNREDSSA-N 464.631 4.187 50 1 JIGF O=C1[C@H](Cl)[C@H](c2ccccc2)N1c1nnc(CNc2nnc3c4ccccc4nc-3s2)s1 40916455 WNSNAGRUZGVOOS-WBVHZDCISA-N 479.978 4.350 50 1 JIGF Cc1ccc(S(=O)(=O)C[C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587533883 XXJKKTWWGYWCLJ-JOCHJYFZSA-N 463.393 4.447 50 1 JIGF CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)c2ccccc2Nc2ccccc2)C1 618008267 WQEMNXSDPPNWGZ-FQEVSTJZSA-N 486.707 4.342 50 1 JIGF O=C(O)c1cccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587537517 GXBWMNMNHUOEJL-PGRDOPGGSA-N 455.260 4.342 50 1 JIGF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@@](CCl)(c2cnc(N3CCCCC3)s2)N1 962966890 BBDUCHOLFWDGDK-BFUOFWGJSA-N 462.349 4.146 50 1 JIGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCn3nnc4c3CCc3ccccc3-4)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1772577880 RVNOUBZVYNIPAE-GXFDLFEUSA-N 481.593 4.268 50 1 JIGF C[C@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)CC1CC1)C(=O)CCl 253930236 XULNEUJKZGYNOW-GJCHCMHOSA-N 493.015 4.493 50 1 JIGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc3c(cc2NC(=O)CCl)OCO3)N1 587684017 JEPRIGUIHJYRJP-FVINQWEUSA-N 469.738 4.292 50 1 JIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(N(C)S(C)(=O)=O)cc2)N1 587839262 GFRZOLKGKJFATO-BLVKFPJESA-N 475.811 4.001 50 1 JIGF CCC(Br)=CCC[C@H](O)[C@H](Br)[C@@H]1O[C@H](C=C=CBr)C[C@H]1O 2356760062 BBVRCKWMJJUCDA-MQCLPBJOSA-N 489.042 4.162 50 1 JIGF NC(=O)[C@@H](Cc1ccccc1)Nc1ccc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)c2ccccc12 27648657 XNSDUPNJQXPEKW-ZYMKGWJUSA-N 486.959 4.471 50 1 JIGF CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc3c(c1)C[C@H](C)N3S(C)(=O)=O)CC2=O 587490292 WUKPGPOLZQYJOH-LFVRLGFBSA-N 463.983 4.155 50 1 JIGF C[C@@]1(c2ccccc2NC(=O)CCCCl)N[C@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962623275 BEDJGHRXTIJIPM-GHTZIAJQSA-N 470.875 4.405 50 1 JIGF Cc1c(O)ccc2c1[C@](c1ccc(F)cc1)([C@@H](Cl)C(=O)c1ccc(F)cc1)N[C@H](C(=O)O)C2 963475039 ZMRLJKIKUSMGIQ-BFMBIBTESA-N 471.887 4.312 50 1 JIGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(N(C)S(C)(=O)=O)cc2)N1 587840857 NJFVDFLPBRXTHT-BUXKBTBVSA-N 475.811 4.001 50 1 JIGF CC(=O)NCCc1ccc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 587847519 LEMCTANQCFONHT-JEOXALJRSA-N 459.812 4.345 50 1 JIGF N#C/C(=C\c1ccc(Cl)cc1)C(=O)NCCCNC(=O)/C(C#N)=C/c1ccc(Cl)cc1 13676702 HSMHSNBREZSSHK-KLCVKJMQSA-N 453.329 4.130 50 1 JIGF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C(=O)CBr)ccc2O)N1 587673383 MMOBIDAXYUEIJH-NIVTXAMTSA-N 457.137 4.495 50 1 JIGF C[C@H]1[C@@H]2CC[C@@]3(C)OO[C@@]24[C@@H](C[C@H]1O)[C@@H](C)[C@H](OC(=O)/C=C/c1cccc(Cl)c1)O[C@@H]4O3 653694190 JAZUFWKFHQXGNT-QKXZOXTBSA-N 464.942 4.075 50 1 JIGF O=C(c1ccncc1)N(/N=C/c1c[nH]nc1-c1cccc(Cl)c1)C(=O)c1ccc([N+](=O)[O-])cc1 653778095 XFMDWUISXUQUEH-MZJWZYIUSA-N 474.864 4.350 50 1 JIGF O=C(N/N=C1/c2ccccc2-c2nc3ccccc3nc21)c1ccc(I)cc1 103227519 GDIFAQVZLKHAJS-QOMWVZHYSA-N 476.277 4.397 50 1 JIGF Cc1ccc([S@](=O)C2=C(c3ccccn3)OC(N)=C(C#N)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 195939263 FPGVQAYMNBCTMK-PPGPUPIYSA-N 458.499 4.283 50 1 JIGF [C-]#[N+]CCN(C)C(=O)[C@H]1CCc2c(sc3ncnc(Nc4ccc5nc(O)sc5c4)c23)C1 1772571531 SPAOKDIPEMGBFC-LBPRGKRZSA-N 464.576 4.233 50 1 JIGF NC(=O)N/N=C(\CCC(=O)N(Cc1ccccc1)Cc1ccccc1)CC(=O)c1ccc(F)cc1 5890972 KSMKNULLWPJLSH-BGABXYSRSA-N 474.536 4.432 50 1 JIGF CN(CCOc1ccc(C[C@H]2SC(=O)NC2=O)cc1)C(=O)CCCC[C@@H]1CCSS1 13917456 DPKRZECBZUCROC-QZTJIDSGSA-N 468.666 4.132 50 1 JIGF COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42C=C[C@@]1(OC)[C@H]([C@H](C)N=C=S)C2 58589977 CBPASLHMRDUOQC-WEGFMESJSA-N 464.631 4.187 50 1 JIGF COc1cc([C@@H]2Oc3c(OC)cc(/C=C/C=O)cc3[C@H]2COC(=O)c2ccc(O)cc2)ccc1O 58591000 JRDSHOZYAFZUGI-ZVIPYRPESA-N 476.481 4.401 50 1 JIGF O=C(O)C[C@H](Br)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587537357 DGJFIRUILAYCNB-JXHRLWIKSA-N 469.287 4.488 50 1 JIGF Cc1ccc(S(=O)(=O)C[C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587845496 AZKUATVXJXORCR-BFUOFWGJSA-N 460.796 4.339 50 1 JIGF COc1ccc(/C=N/NC(=O)COc2c(Br)cc(Br)c3cccnc23)cc1 96910071 CMUHLMGVCHQEOB-AUEPDCJTSA-N 493.155 4.298 50 1 JIGF CN1CCN(CCc2ccc(NC(=O)c3ccc4nc(CCCCBr)[nH]c4c3)cc2)CC1 586972053 DLEKZWPFJDAPTB-UHFFFAOYSA-N 498.469 4.323 50 1 JIGF CCOC(=O)[C@]1([C@@H](C)Br)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963832367 OTZBTTIBLKSCDC-IQMFZBJNSA-N 457.368 4.434 50 1 JIGF O=C(O)C[C@H](Br)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587537358 DGJFIRUILAYCNB-LEDOBFOHSA-N 469.287 4.488 50 1 JIGF CCOC(=O)C(C)(C)[C@]1(CBr)N[C@H](C)Cc2ccc(F)c(Br)c21 587672143 DBCOLWNZXPLBKH-BMLIUANNSA-N 451.174 4.302 50 1 JIGF COc1ccc(C(=O)[C@H](Br)[C@H](SCCN)c2ccc(OC)c(OC)c2)c(OC)c1 1772647270 UZNWBYMIXUPFMN-PZJWPPBQSA-N 484.412 4.100 50 1 JIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2c[nH]c(C(=O)N3CCCC3)c2)N1 587683712 HSIKBTQOGLYLOI-MPBGBICISA-N 454.771 4.169 50 1 JIGF O=C(N/N=C/c1ccc(Br)cc1O)c1cc(Br)cc(Br)c1 1857618560 YYEBYAQFTXFLST-CNHKJKLMSA-N 476.950 4.444 50 1 JIGF O=[N+]([O-])c1ccc(COP(=O)(N(CCCl)CCCl)N(CCCl)CCCl)o1 14279238 FOAOWPIFUDJSCJ-UHFFFAOYSA-N 471.105 4.372 50 1 JIGF Cc1ncsc1[C@]1(CNC(=O)CCCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587377703 SNZYDJMLXPVUHZ-NFBKMPQASA-N 474.941 4.296 50 1 JIGF COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)n(NC(=O)c4ccccc4)c1C)[C@@H](C2)C3=O 587418760 VFIKFBBLRGOVSD-CPJSRVTESA-N 450.922 4.379 50 1 JIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(C(=O)O)cc2)N1 587673351 MFABIBYBUUQRRF-MGNBDDOMSA-N 457.137 4.459 50 1 JIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cccc(S(C)(=O)=O)c2)N1 587850017 NZDLOUIUMUEQQE-ZMZPIMSZSA-N 491.220 4.164 50 1 JIGF Cc1ccnc([C@@]2(CBr)N[C@H](C(=O)O)Cc3ccc(Oc4ccc(O)cc4)cc32)c1 962925999 SAVJHMOBWBICBZ-REWPJTCUSA-N 469.335 4.125 50 1 JIGF CN(C)C(=O)c1ccc2c(c1)[C@@](CBr)(c1c(F)ccc(Br)c1F)NCC2 962926432 ONJJXFWWPZLYIV-IBGZPJMESA-N 488.170 4.213 50 1 JIGF O=C(c1ccc(C2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)cc1)N1CCNCC1 1772611633 LAJLCVIFWDSZGX-UHFFFAOYSA-N 452.595 4.217 50 1 JIGF O=C(NNCCCN1CCC(N2c3ccccc3Sc3ccccc32)CC1)c1ccncc1 1857761623 LHJQWGHVOTWEJR-UHFFFAOYSA-N 459.619 4.473 50 1 JIGF N#CC1=C(N)N(c2ccc(S(N)(=O)=O)cc2)C2=C(CCCC2)[C@@H]1c1c(O)ccc2ccccc12 102138988 YQRVRFRLPSGVPL-DEOSSOPVSA-N 472.570 4.319 50 1 JIGF C[C@@H](S[C@H](C)C(=O)NN=Cc1cccc(Cl)c1)C(=O)NN=Cc1cccc(Cl)c1 4726577 RDHHPZFEIPDNPL-ZIAGYGMSSA-N 451.379 4.104 50 3 JIGF CCOC(=O)[C@@H](Cl)c1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1C 587618475 RMWDIOUGFRBPCR-KRWDZBQOSA-N 481.914 4.037 50 1 JIGF CC(=O)NCCc1ccc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 587847329 KLOMXIAFJFKVPX-JEOXALJRSA-N 459.812 4.345 50 1 JIGF COc1cc2c(cc1OC)[C@](CCl)(C(C#N)=C1N(C)c3ccccc3N1C)N(C)[C@@H](C)C2 962626948 GILXASVLANTTNJ-IVCQMTBJSA-N 452.986 4.336 50 1 JIGF O=C(O)[C@@H]1Cc2cccc(F)c2[C@](CBr)(c2ncc(C(F)(F)F)cc2Cl)N1 962893807 GHWINGABJIDYBI-BLLLJJGKSA-N 467.644 4.130 50 1 JIGF CN(C)CCSSCCNC(=O)C1CCN(C(=O)c2ccccc2Nc2ccccc2)CC1 169324350 VYFDYOJXJKUGPW-UHFFFAOYSA-N 486.707 4.342 50 1 JIGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc3c(c2)OCO3)N1 587673842 QRONCZGVFHFXRB-YPMLDQLKSA-N 457.137 4.490 50 1 JIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1cc(C#N)c(O)nc1CC[C@@H]2Br 587677454 AJQDZWIPBSMOAW-WFDYNTDMSA-N 481.163 4.048 50 1 JIGF Cc1ccnc(NCCCCC(=O)NNC(=O)C[C@@H](CC(=O)O)c2cc(Cl)cc(Cl)c2)c1 13472610 YQIZMAFWDNCDLY-INIZCTEOSA-N 481.380 4.075 50 1 JIGF Cc1nnc(SCC(=O)N/N=c2/scc(-c3ccc(F)cc3)n2-c2ccccc2)s1 103238656 AHIJVAUSNYPJAC-LYBHJNIJSA-N 457.581 4.229 50 1 JIGF Oc1ccc2c3c1O[C@H]1c4[nH]c5ccc(N=C=S)cc5c4C[C@]4(O)[C@@H](C2)N(CC2CC2)CC[C@@]314 169318160 PHACSLSFPGYKLR-DXXVALNZSA-N 471.582 4.307 50 1 JIGF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc(C(=O)NN)c(Cl)c(N)c1Cl 587853739 BFXVGCCSBSKLPZ-UHFFFAOYSA-N 476.151 4.132 50 1 JIGF COc1ccc(C(=O)N(/N=C/c2c[nH]nc2-c2cccc(Cl)c2)C(=O)c2ccncc2)cc1OC 653775408 ORKWOTMPZUGVIJ-WKULSOCRSA-N 489.919 4.459 50 1 JIGF Cc1nn(-c2ccccc2)c2c1[C@@H](c1c(C)nn(-c3ccccc3)c1-n1ccnc1)C(C#N)=C(N)O2 1857604933 PDKHIHNUQIOOAS-XMMPIXPASA-N 474.528 4.079 50 1 JIGF CC(C)OP(=O)(OC(C)C)/C(=N/Nc1ccc([N+](=O)[O-])cc1)NNC(=O)c1ccccc1 3921178 OXSKGHKMGCFXRY-UHFFFAOYSA-N 463.431 4.255 50 1 JIGF CCCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@H](O)C[C@@]21C 253635230 DERCOWNWEPPIHD-QXQZYZTMSA-N 481.004 4.493 50 1 JIGF C[C@@H]1C[C@H](C)[C@H](O)C(C#N)=CC=CC[C@H]([C@@H]2CC[C@@H]2C(=O)O)OC(=O)C[C@H](O)[C@H](C)C[C@H](C)C1 2356585741 AOKPUKQFVXDBSJ-YZSQYEDLSA-N 475.626 4.245 50 1 JIGF C[C@H](Cl)[C@]1(c2ccc3c(c2)NC(=O)CO3)N[C@H](C)Cc2ccc(F)c(Br)c21 587689172 QLZDEBFMOXRXQT-QZXWKGOOSA-N 453.739 4.324 50 1 JIGF Cc1ccc(S(=O)(=O)C[C@]2(CCl)c3cccc(F)c3CCN2[C@H]2CCSC2)cc1 962698048 CQTBBGGOYDLURD-HTAPYJJXSA-N 454.032 4.406 50 1 JIGF COc1cc(NC(=O)Cc2cccc(C(F)(F)F)c2)ccc1/C=N/NC(=O)c1ccc(O)c(C#N)c1 13492723 JPCQGICVJNWEJT-AMVVHIIESA-N 496.445 4.236 50 1 JIGF O=C(O)c1cccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587537518 GXBWMNMNHUOEJL-XMSQKQJNSA-N 455.260 4.342 50 1 JIGF O=C(NNC(=O)C(F)(F)Cc1ccccn1)N1Cc2ccccc2Oc2ccc(Cl)cc21 605986 XHNHVJAEVCPIOH-UHFFFAOYSA-N 458.852 4.466 50 1 JIGF CCOC(=O)[C@]1([C@H](C)Br)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963832368 OTZBTTIBLKSCDC-NPMXOYFQSA-N 457.368 4.434 50 1 JIGF COC(=O)[C@@H]1[C@@H](c2ccc(I)cc2)C[C@@H]2CC[C@H]1N2CCCBr 27635397 NBDQDRSEYYQZOF-YLFCFFPRSA-N 492.195 4.186 50 1 JIGF CCO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@]15C[C@@H]1c6ccc(OC)cc6CCN1O5)[C@]42OO3 473152925 XIQXJVDSSQNATO-PMQJJJOSSA-N 487.593 4.277 50 1 JIGF COc1cc(C(=O)c2oc3ccccc3c2NC(=O)CI)cc(OC)c1OC 653795769 GGRDHVBHAXKGIG-UHFFFAOYSA-N 495.269 4.063 50 1 JIGF COC(=O)N(C)N[C@H](CCc1ccncc1)COc1ccc(-c2cccc([N+](=O)[O-])c2)cc1 27327643 TYDAPQSVVCOTNN-OAQYLSRUSA-N 450.495 4.240 50 1 JIGF Cc1cc(CNC(=O)[C@H]2C[C@@H]2[C@H](NP(=O)(c2ccccc2)c2ccccc2)c2ccccc2)nn1C 8018886 YYRIMQHQEDUOIG-HZFUHODCSA-N 498.567 4.241 50 1 JIGF CC(C)CN(NC(=O)Cc1c(Cl)cccc1Cl)c1nc(C#N)ncc1Br 58568839 UFJMIVFAMZTKEO-UHFFFAOYSA-N 457.159 4.154 50 1 JIGF Cc1ccc(N2C(=O)[C@@H](Cl)[C@]23C(=O)Nc2c(Br)cc(Br)cc23)cc1 103222465 DOLCJDWTYXDTMH-RHSMWYFYSA-N 470.548 4.322 50 1 JIGF CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OC(C)(C)C)C[C@@H]1Br)CC2=O 587457658 ABCMANDWNIFKIR-LAUBAEHRSA-N 454.361 4.453 50 1 JIGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(O)c(C=O)c2)N1 587673899 RHEATSWKCBNHIU-XTZNXHDOSA-N 457.137 4.279 50 1 JIGF CC(=O)NCCc1ccc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1F 587725066 MZAWOPHAKWDRKV-QKVFXAPYSA-N 471.773 4.423 50 1 JIGF C[C@@]12CCSSC[C@]3(CCCC4=C5C[C@H]1C[C@H](CO)[C@@H]1CC=C[C@H](C4=O)[C@@]512)CCNC(=N)N3 2356680942 ZDHOLSMBJYCLCM-RQBWSHSSSA-N 487.735 4.295 50 1 JIGF O=C1C[C@](CBr)(CCN2C(=O)c3ccccc3C2=O)Oc2c1ccc1c2CCCC1 587500738 VEHRJYOZGYQEDO-DEOSSOPVSA-N 468.347 4.351 50 1 JIGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)[C@H]1COc2ccccc2O1 587538656 QZADNOFATNEGLS-ZRCGQRJVSA-N 469.287 4.328 50 1 JIGF COc1cc2c3c(c1)O[C@](CBr)(C1CCN(C(=O)OC(C)(C)C)CC1)[C@@H](C2)C3=O 587411661 FWWRSLVBKHCFBM-KSFYIVLOSA-N 466.372 4.223 50 1 JIGF COC(=O)c1cccc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587537528 HAIQVLMROZOKJB-XXBNENTESA-N 469.287 4.431 50 1 JIGF CCCCOc1c(B(O)O)cc(C)cc1[C@@H]1c2ccccc2CCN1[C@H](C#N)c1ccccc1 963189842 MJVNVSOBTJPVBS-SXOMAYOGSA-N 454.379 4.066 50 1 JIGF C=C(C)[C@H]1COc2c(C)cc3oc4c(C[C@H](Cl)C(C)(C)O)ccc(O)c4c(=O)c3c2[C@@H]1O 40865101 DQHHJZQNNVLSOI-DAESXHAQSA-N 458.938 4.499 50 1 JIGF C=C(C#N)CN1C[C@H](OC[C@@]23C[C@@H]4[C@H](C)CC[C@H]4[C@@]4(C=O)C[C@H]2C=C(C(C)C)[C@@]34C(=O)O)OC[C@H]1C 195175822 MTGVMXPQKIAMSN-HGMWKFMHSA-N 496.648 4.054 50 1 JIGF CCOC(=O)[C@@H]1CCC[C@H](Br)[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587682790 NQDXCCYIRMPILS-HLFRJWSRSA-N 463.185 4.444 50 1 JIGF Cc1[nH]nc2c1[C@@](c1cc(N3CC(F)(F)C3)cc(C(F)(F)F)c1)(C(C)C)C(C#N)=C(N)O2 1772634005 HLDPFPHLMSMZSX-HXUWFJFHSA-N 453.415 4.221 50 1 JIGF Oc1ccc2c3c1O[C@H]1c4[nH]c5ccc(N=C=S)cc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 13651049 PHACSLSFPGYKLR-NVSKSXHLSA-N 471.582 4.307 50 1 JIGF COC(=O)[C@]1([C@H](Br)C(=O)c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587669890 GRRYLWSPOPWBJF-WLJAHRKQSA-N 499.174 4.137 50 1 JIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(CCN2C(=O)c3ccccc3C2=O)N1 587687697 HHOMKCXJYSRTNJ-XUSGNXJCSA-N 465.750 4.243 50 1 JIGF O=C([C@H]1Cc2ccccc2[C@](CBr)(c2cccc(Br)n2)N1)C(F)(F)F 962729877 KJYHJECKUFQYCP-MLGOLLRUSA-N 478.106 4.128 50 1 JIGF Cc1cc([C@]2(CBr)N[C@H](C(=O)O)Cc3cc(F)ccc32)ccc1Br 962899119 OFDFYCZXXHSJST-WMZOPIPTSA-N 457.137 4.134 50 1 JIGF C[C@@H](Oc1ccc([C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1)C(=O)NN 587509667 ILNMRMSZQOOKND-KWMCUTETSA-N 456.542 4.232 50 1 JIGF COc1cc2c(cc1OC)[C@](CBr)(c1ccc(N3CCCC3=O)cc1)N(C)[C@H](C)C2 962621127 BAIZLSBCIJFUKH-GYCJOSAFSA-N 473.411 4.346 50 1 JIGF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@@](CCCl)(c2ccc(O)cc2O)N1 962926755 MLKZGHGARFAXSC-XUZZJYLKSA-N 455.894 4.067 50 1 JIGF Cc1cc(F)c([C@@]2(CCl)c3scnc3C[C@H](C(=O)O)N2C(=O)OC(C)(C)C)cc1F 963144812 MOXYDZCQBCMLPN-QRWLVFNGSA-N 458.914 4.459 50 1 JIGF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@H](c2sc(=O)n(CCCl)c2Cl)N1 963189871 VZAJRIALMYTQNM-MNOVXSKESA-N 475.703 4.163 50 1 JIGF C[C@@H]1C[C@H](C)[C@H](O)C(C#N)=CC=CC[C@H]([C@@H]2C[C@]2(C)C(=O)O)OC(=O)C[C@H](O)[C@@H](C)C[C@H](C)C1 2356564173 UDZICKVESDOJCX-KGOAKFEJSA-N 475.626 4.245 50 1 JIGF CCOC(=O)C(C)(C)[C@@]1(CBr)N[C@H](C)Cc2cc(Br)c(F)cc21 587674106 SUMHQQWEOJUIJV-QGHHPUGFSA-N 451.174 4.302 50 1 JIGF O=C(O)[C@@H]1[C@H](C(=O)O)[C@@H]1c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587970967 PQGCLPQKKULBHG-RNLVFQAGSA-N 451.167 4.482 50 1 JIGF O=C(O)[C@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@](CBr)(c2ccnc(Cl)c2F)N1 962699941 DXZAUUFRUKQVCS-WBMJQRKESA-N 485.634 4.269 50 1 JIGF CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3CC[C@H]4CC(=O)[C@@H](Br)C[C@]4(C)[C@H]3CC[C@@]21C 2356732846 AEDZUDVIFQHWGD-ZQYISWJRSA-N 483.443 4.081 50 1 JIGF CC(=O)O[C@@H]1C[C@H](Br)C(C)(C)O[C@]1(C)[C@@H]1C[C@H](Br)[C@](C)(Cl)C[C@H]1O 2356462668 ATUFLYZIGVYGQQ-ORPMZVJSSA-N 490.660 4.171 50 1 JIGF C[C@@H]1[C@H](OC(=O)CCC(=O)NCC2CCCCC2)O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@@]24OO3 504699977 YTHIOLCNKYTWGD-JHFFNRGHSA-N 479.614 4.214 50 1 JIGF biogenic O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(F)ccc1C(=O)CBr 587893851 GXBNCZYSLCBBCJ-UHFFFAOYSA-N 457.126 4.421 50 1 JIGF CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](n2ccc(N)nc2=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C#N 253710482 WMSIRCDICHBPAB-JFRXWTBNSA-N 480.758 4.275 50 1 JIGF COc1ccc(N/C(C#N)=C2\C(=O)c3ccccc3[C@]23c2cc(OC)c(OC)cc2C[C@@H](C)N3C)cn1 962634677 URPBIRNHWGHIGB-SVHGGCKISA-N 496.567 4.313 50 1 JIGF Cc1ccc(S(=O)(=O)N2C[C@@H](Br)[C@@]3(C2)NCCc2cccc(-c4ccccc4)c23)cc1 962658172 BWBXADGQTABGLS-ILBGXUMGSA-N 497.458 4.471 50 1 JIGF CS(=O)(=O)[C@H](Br)[C@@]1(c2ccccc2)c2ccsc2CCN1Cc1cccnc1 963000591 VUMXKYCWLZOINP-LEWJYISDSA-N 477.449 4.211 50 1 JIGF O=C1Nc2ccc(Br)cc2C1=NNC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 1857573725 DIIAFVZJBPHAKM-UHFFFAOYSA-N 497.736 4.441 50 1 JIGF O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C\c1ccc(Cl)cc1)c1cccs1 61882059 SMDSENIYQGHCLF-ZASBYKKMSA-N 450.951 4.374 50 1 JIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc3c(c2)NC(=O)CO3)([C@@H](C)Cl)N1 587689409 SDMXZPMBJGNJQT-SUTOTMHJSA-N 453.739 4.324 50 1 JIGF Cc1nn(-c2ccccc2)c(Oc2ccc(-c3nc4cc(C(=O)O)ccc4[nH]3)cc2)c1/C=N/NC(N)=O 1857747885 KYEZBPMGAHYKHV-CCVNUDIWSA-N 495.499 4.217 50 1 JIGF C[C@]12CCSSC[C@@H](N=C(N)N)CCCC3=C4C[C@H]1CC[C@@H](CCCO)[C@@]42CC3=O 85549555 KEDRNTPYWJDOGH-CXFZKXGZSA-N 451.702 4.048 50 1 JIGF biogenic,in-vitro Oc1ccc2c3c1O[C@H]1[C@H](OCc4ccccc4N=C=S)CC[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 13740369 ASQKMNDCAVTNOQ-LIOZKPFLSA-N 490.625 4.276 50 1 JIGF Oc1ccc2c3c1O[C@H]1c4[nH]c5cccc(N=C=S)c5c4C[C@@]4(O)[C@H](C2)N(CC2CC2)CC[C@]314 136062551 STPBFHDXZHEIEM-GIIILEAUSA-N 471.582 4.307 50 1 JIGF COc1cc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(F)cc1O 587557313 MOLBXMPXWKCCIX-SIKLNZKXSA-N 475.266 4.498 50 1 JIGF COc1cc2c(cc1OC)[C@H](c1ccc(OCCBr)c(OC)c1)N(C)[C@@H](C)C2 962637267 WGLMKIGIGSXTKH-FPTDNZKUSA-N 450.373 4.452 50 1 JIGF O=C1[C@@H]2Cc3nc[nH]c3[C@](CCCCCCl)(c3ccc(C(F)(F)F)cc3)N2C(=O)[C@@H]2CCCN12 963211400 BPIFQEITPKGYCC-YDHSSHFGSA-N 494.945 4.229 50 1 JIGF C[C@]12CC[C@H](NC(=O)CBr)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O 1857549788 PADKJPCHJLXEGI-JMVRGBSFSA-N 494.470 4.123 50 1 JIGF O=C(N/N=C/c1cc(Br)c(O)c(Br)c1O)c1ccc(-c2ccccn2)cc1 95588787 MGRZSOWPGNGIBS-AUEPDCJTSA-N 491.139 4.449 50 1 JIGF O=C(N/N=C/c1ccc(OCCCn2cc(COc3ccc(Cl)cc3)nn2)cc1)c1ccncc1 169346152 HLAKEBFMHQDVFX-LQKURTRISA-N 490.951 4.139 50 1 JIGF CC(C)(C)OC(=O)N1CC[C@@H]1[C@@]1(CCl)N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963191123 YPWDDNPETHCPPM-VLXJIEOASA-N 483.314 4.401 50 1 JIGF COc1ccc([C@@H]2C(C#N)=C(N)OC(C)=C2[C@@]2(C)NCCc3c(OC)ccc(Cl)c32)cc1 963268934 BIXGVROUNFIRLZ-PXDATVDWSA-N 451.954 4.500 50 1 JIGF C[C@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)C2=CC[C@@H](Br)C=C2)c1 166936979 AKYGBXZKHJOPDB-YOEHRIQHSA-N 492.377 4.490 50 1 JIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(/C(C#N)=C2/NC(=O)c3ccccc3N2)N1 587686308 CHUYVHVHEVRZAC-JYMGFZNJSA-N 475.749 4.147 50 1 JIGF C[C@H](CSSCCN(C)C)C(=O)N1CCC[C@H]1C(=O)NCc1csc2ccccc12 618017109 FSBGBGCPPBIXHN-APWZRJJASA-N 465.710 4.088 50 1 JIGF N#CC1=C(N)Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2[C@@H]1c1cccc([N+](=O)[O-])c1 1911581790 FMFHPSROCFCEDD-OAQYLSRUSA-N 453.410 4.292 50 1 JIGF COc1ccc(-c2cn([C@H]3C4=C(OC(C)(C)[C@@H]3Br)c3ccccc3C(=O)C4=O)nn2)cc1 49070581 WMMRPQPHXVNHGI-WMZHIEFXSA-N 494.345 4.244 50 1 JIGF COc1cc2c3c(c1)O[C@](C(Br)Br)(C(F)(F)C(F)(F)F)[C@@H](C2)C3=O 587422796 USMPAVSRIACGPU-JVXZTZIISA-N 480.021 4.495 50 1 JIGF N#CC1=C(N)Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2[C@@]12C(=O)Nc1c(Cl)cccc12 1857566799 SSRWPRVRUKIYTK-SANMLTNESA-N 483.867 4.143 50 1 JIGF O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 137588788 GZPIXDGQNQSUBZ-UHFFFAOYSA-N 481.468 4.185 50 1 JIGF Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(CCCCBr)nc1-2 586971976 BJYVVDPOYGRMST-UHFFFAOYSA-N 495.360 4.203 50 1 JIGF CC1=C(CCCl)C(=O)N2CCC[C@]3(Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)[C@H]2N1 587327783 RPJXGRFFBRPYEF-IEZKXTBUSA-N 470.928 4.084 50 1 JIGF COC(=O)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1CBr 587875209 PGBLXOFJDAWTHI-UHFFFAOYSA-N 469.162 4.385 50 1 JIGF COC(=O)c1ccc(CBr)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587875455 UMDFLCCSDRCDRH-UHFFFAOYSA-N 469.162 4.385 50 1 JIGF CC1(C)CC2=C(C(C#N)(C#N)C(C#N)=C(N)O2)[C@]2(C1)c1cccc(F)c1CCN2[C@H]1CCSC1 962709516 OEXKQECBBWSHNQ-QMTYFTJSSA-N 475.593 4.216 50 1 JIGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(O)c(C=O)c2)N1 587672808 ICZRJOXGBALNQF-YPMLDQLKSA-N 457.137 4.279 50 1 JIGF CC(C)(C)[Si](C)(C)O[C@@H]1CC[C@@]2(C)[C@H](C/C=C3/C(=O)OC[C@H]3O)[C@@]3(CC[C@@H]2[C@]1(C)CO)CO3 1857629982 MMSUDXPTHLZGGS-ZFGIWEOCSA-N 480.718 4.205 50 1 JIGF O=C(CCCCBr)NCC1=Cc2cc(Br)ccc2O[C@]1(O)C(F)(F)F 473088708 POXKBIAVFHUNIQ-HNNXBMFYSA-N 487.110 4.157 50 1 JIGF O=C(NN=C1C[C@@H](c2ccccc2)N[C@H](c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 1772621163 MUMOGPKSBMJVAC-VXKWHMMOSA-N 459.462 4.455 50 1 JIGF N#C[C@H](C(=O)NCc1ccccc1)[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587324236 PTUVQTWDAHRQGZ-JJTGBXKASA-N 478.907 4.324 50 1 JIGF Cc1ccc(S(=O)(=O)C[C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587605408 CJYFTBWPJHRPOM-NFBKMPQASA-N 458.919 4.114 50 1 JIGF COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccc5ccccc45)c32)cc(OC)c1OC 986032 TXHMUTKBISUOQS-NRFANRHFSA-N 454.486 4.474 50 1 JIGF C[C@H](Br)[C@]1(c2ccc(OCC(=O)O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587537838 KUVZMJBJQSEYDG-KLGSUFROSA-N 499.313 4.496 50 1 JIGF O=C1C(O)=C([C@@H](NCCCCl)c2cc(Br)ccc2O)C(=O)c2ccccc21 653857476 CBCISFONTTYOSV-KRWDZBQOSA-N 450.716 4.306 50 1 JIGF O=C(Nc1nc2ccc(Cl)cc2s1)NN1C(=O)[C@H](Cl)[C@@H]1c1ccc([N+](=O)[O-])cc1 1857611806 IBSDFSOQMLIEDR-KGLIPLIRSA-N 452.279 4.085 50 1 JIGF Cc1ccnc(NCCCCC(=O)NNC(=O)C[C@@H](CC(=O)O)c2ccc(-c3ccccc3)cc2)c1 13472608 PACDIVMUVSJXND-DEOSSOPVSA-N 488.588 4.435 50 1 JIGF N[C@@H](Cc1ccccc1)C(=O)NNC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 43080772 BUVLYMOBBBRUTK-DMDJSGQRSA-N 468.601 4.034 50 1 JIGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](O[C@@H](CC(=O)O)c3ccc([N+](=O)[O-])cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]23OO4 103041701 UVWPFYQIBWCYOU-VDLUCQSASA-N 477.510 4.335 50 1 JIGF CN1C(=O)CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(O)C#CCCI)[C@@H]3CC[C@@H]12 169365910 MVORGJNGNGLACY-HQTNTUHFSA-N 483.434 4.409 50 1 JIGF COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4cc(NC(=O)[C@@H](C)Cl)ccc41)[C@@H](C2)C3=O 587418206 SPPAIOCPPZMVRF-JTEQMZPVSA-N 473.912 4.497 50 1 JIGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2cn(-c3ccc(F)cc3)nn2)N1 587736489 WCENMWOHDLHFAR-WLRWDXFRSA-N 453.718 4.325 50 1 JIGF CC1(C)O[C@@H](C[C@H]2C[C@@H](O)C[C@@H](CCOCc3ccccc3)O2)C[C@H](CBr)O1 6003718 MTJUATBEVJNFLW-XIYVOTBMSA-N 457.405 4.197 50 1 JIGF COc1cc(/C=N/NC(=O)CSc2ccc([N+](=O)[O-])c3ccccc23)cc(OC)c1OC 72109180 WCHBEHPWJODTJE-FSJBWODESA-N 455.492 4.016 50 1 JIGF Cc1cc2c(cc1O)[C@H](c1ccccc1P(c1ccccc1)c1ccccc1)N[C@H](C(=O)O)C2 963508691 LFRULVVAVNTBDZ-LSYYVWMOSA-N 467.505 4.147 50 1 JIGF CC(=O)O[C@H]1C[C@H](Br)C(C)(C)O[C@@]1(C)[C@H]1C[C@@H](Br)[C@](C)(Cl)C[C@H]1O 138451841 ATUFLYZIGVYGQQ-AFEYPSKUSA-N 490.660 4.171 50 1 JIGF O=C(O)c1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587538258 OJHGJEQWMISQLB-AVRDEDQJSA-N 455.260 4.342 50 1 JIGF CC(=O)Nc1ccc([C@]2([C@@H](C)Cl)N[C@H](C(=O)O)Cc3c(C(F)(F)F)cc(F)cc32)cc1 962703137 HVFIJQDLCYRVHA-FEPWDSCHSA-N 458.839 4.273 50 1 JIGF COC(=O)[C@@H]1C[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC(=C(C)C)C1=O 196925922 JKCQDUKWBXUIQR-HYBUGGRVSA-N 450.651 4.420 50 1 JIGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(S(=O)(=O)N3CCCCC3)cc1)O2 587408491 HAHFKKBUNLHCOB-JOCHJYFZSA-N 493.423 4.007 50 1 JIGF COc1ccc2c(c1)[C@](CBr)(c1ccc3c(c1)NC(=O)[C@@H](C)O3)N(C(C)C)CC2 962095571 VLOUDUVBNRVCBC-CMJOXMDJSA-N 459.384 4.320 50 1 JIGF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@]2(CCl)c1cc(C(=O)O)co1 963862893 JJARNPJVZLVMHO-MWTRTKDXSA-N 463.914 4.405 50 1 JIGF C[C@@]12CCSSC[C@H](NC(=N)N)CCCC3=C4C[C@H]1CC[C@@H](CCCO)[C@]42CC3=O 2356350822 KEDRNTPYWJDOGH-MYFMVCCBSA-N 451.702 4.258 50 1 JIGF O=C1[C@H](Cl)[C@@H](c2ccc(O)cc2O)N1c1nnc(Cn2c3ccccc3c3ccccc32)o1 53294028 HFGYWJCLKNQFKN-FGZHOGPDSA-N 460.877 4.332 50 1 JIGF COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4cccc(NC(=O)[C@H](C)Cl)c41)[C@@H](C2)C3=O 587417443 MNMFGOKBKXWPJN-VOWXSVNXSA-N 473.912 4.497 50 1 JIGF CN(C)CCSSCCn1cc(C(C)(C)NC(=O)c2cc(Cl)cc(Cl)c2)nn1 618012269 ADUDSAGZDVWHEM-UHFFFAOYSA-N 462.472 4.193 50 1 JIGF COc1cccc([C@@]2(CBr)N[C@H](C(=O)O)Cc3c(C(F)(F)F)cc(F)cc32)c1F 962690463 AMLUVASMZGVQQZ-KBXCAEBGSA-N 480.227 4.230 50 1 JIGF CC1(C)[C@@H](Br)CC[C@@]1(C)C1=C[C@@]2(O)[C@@](C)(O)CC[C@H](Br)[C@]2(C)C[C@@H]1O 2356804697 ZKACUMSBFTZPBU-VJLCOJPHSA-N 480.281 4.313 50 1 JIGF O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCN(c2nc(C3=NO[C@H](c4ccccc4)C3)cs2)CC1 653847543 SMVZCHXCMBHRPE-NRFANRHFSA-N 479.518 4.238 50 1 JIGF COCCOc1nc(-c2ccc(C(F)(F)F)cc2)n(-c2ccc(NC(=O)CCl)cc2)n1 33855788 ZLHUYECMCQPPCZ-UHFFFAOYSA-N 454.836 4.156 50 1 JIGF CN1CCN(Cc2ccc(NC(=O)c3ccc4nc(CCCCBr)[nH]c4c3)cc2)CC1 586972435 QZTHTLQPOJQIPJ-UHFFFAOYSA-N 484.442 4.280 50 1 JIGF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@](CBr)(c2ccc(C(F)(F)F)cn2)N1 962969334 QGNFKTRSWHHNQQ-ZBEGNZNMSA-N 485.634 4.269 50 1 JIGF CN1C(=O)[C@@]2(C(C#N)=C(N)Oc3cc4oc(-c5ccccc5)cc(=O)c4c(O)c32)c2cccc(Cl)c21 1857612894 BXHLGGAPUMDFQF-HHHXNRCGSA-N 497.894 4.168 50 1 JIGF Cc1c(C(=O)NNc2ccccc2)nnc2c3c(-c4ccccc4)c(-c4ccccc4)nnc3nn12 28390910 SITOPANHTMJWSY-UHFFFAOYSA-N 472.512 4.467 50 1 JIGF N#C[C@H](C(=O)NCc1ccccc1)[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587324235 PTUVQTWDAHRQGZ-HNVPCBRESA-N 478.907 4.324 50 1 JIGF O=C1[C@H](Cl)[C@@H](c2ccccc2)N1c1nnc(CNc2nnc3c4ccccc4nc-3s2)s1 40916453 WNSNAGRUZGVOOS-NVXWUHKLSA-N 479.978 4.350 50 1 JIGF C[C@H](NC(=O)OC(C)(C)C)[C@@]1(CCl)N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962922501 JVIYHEZJEORGBN-OSZRXVRWSA-N 476.957 4.131 50 1 JIGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@]2(N1)/C(=C(\C#N)NCc1ccccn1)C(=O)c1ccccc12 962963752 ZTGAMXDSDCFNAO-KTHDWAIGSA-N 459.553 4.495 50 1 JIGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCOC(=O)[C@@H]3CCCC[C@H]3C(=O)O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 103197542 AMRZDNUDTHXSMN-OBHJPTKNSA-N 466.571 4.061 50 1 JIGF COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1CBr 587875055 NROFQAROOZSTDQ-UHFFFAOYSA-N 469.162 4.385 50 1 JIGF C[C@]1(c2cc3c(cc2NC(=O)CCl)OCO3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587545613 RTRHMFJNPXGGFP-XUZZJYLKSA-N 467.861 4.175 50 1 JIGF C[C@@H]1C[C@H](C)[C@H](O)C(C#N)=CC=CC[C@H]([C@@H]2CCC[C@@H]2C(N)=O)OC(=O)C[C@@H](O)[C@@H](C)C[C@H](C)C1 2356827676 IOHLCKBCGGSSCP-TWRHERHRSA-N 488.669 4.036 50 1 JIGF CN[C@@H]1[C@H]2[C@@H]([C@]3(C)CC[C@@H](C(C)(C)N=C=S)O3)CC[C@@](C)(N=C=S)[C@H]2CC[C@]1(C)O 2356874053 YSAVASQYXJXTPS-KVGJFGCYSA-N 451.702 4.442 50 1 JIGF COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42C=C[C@@]1(OC)[C@@H]([C@H](C)N=C=S)C2 26385468 CBPASLHMRDUOQC-MPFHGDKCSA-N 464.631 4.187 50 1 JIGF O=C(CN(/N=C/c1ccc(Cl)cc1Cl)C(=O)c1ccncc1)N1CCN(c2ccccc2)CC1 28339943 IBFCWQLDASRWCE-STBIYBPSSA-N 496.398 4.214 50 1 JIGF CC(C)Cc1ccc([C@@H](C)C(=O)Oc2cc(O/N=[N+](\[O-])N(C)C)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1 44156896 WDXFVFFRFUKIDX-DNIXMOTHSA-N 475.458 4.144 50 1 JIGF CS(=O)(=O)c1cccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587610259 XDWQSSBCEXJONZ-DENIHFKCSA-N 489.343 4.048 50 1 JIGF Cc1[nH]nc2c1[C@](c1cc(N3CCC(C(=O)O)CC3)cc(C(F)(F)F)c1)(C(C)C)C(C#N)=C(N)O2 1772609480 OGZMFBFOBRMDGB-QHCPKHFHSA-N 489.498 4.066 50 1 JIGF COc1cc(NC(=O)Nc2cccc(NC(=O)[C@H](C)Br)c2)cc(OC)c1OC 40976008 UMULOYBYBZNIQC-NSHDSACASA-N 452.305 4.078 50 1 JIGF CC(C)(C)[C@]1(CNC(=O)CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587323619 SATKWFDRGRCINX-DENIHFKCSA-N 464.331 4.186 50 1 JIGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Br)cc1)([C@H](Br)CC(=O)O)O2 587371735 FVRZMHHEJJHABG-VQIMIIECSA-N 483.156 4.439 50 1 JIGF CS(=O)(=O)c1cccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587610268 XDWQSSBCEXJONZ-SIKLNZKXSA-N 489.343 4.048 50 1 JIGF O=C(CN(/N=C/c1ccccc1Cl)C(=O)c1ccncc1)N1CCN(c2cccc(Cl)c2)CC1 28340163 OWVNIGRPYNRGEE-STBIYBPSSA-N 496.398 4.214 50 1 JIGF O=C1COc2ccc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2N1 587328167 TVBWFJXMESTENO-UPVQGACJSA-N 453.853 4.355 50 1 JIGF CS(=O)(=O)Nc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587371125 ZXHRVWNZOGFFQB-GGAORHGYSA-N 475.925 4.396 50 1 JIGF COc1cc2c3c(c1)O[C@@](CBr)([C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O 587412707 JVPQNYGTSGDFFM-RQVMVGKASA-N 466.372 4.223 50 1 JIGF CCOC(=O)c1cc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)on1 587321385 JNWFSKUIQJKFEY-KNQAVFIVSA-N 490.281 4.345 50 1 JIGF COc1ccc(C(=O)c2oc3ccccc3c2NC(=O)CI)cc1OC 653810125 YORMDNCQDZADBV-UHFFFAOYSA-N 465.243 4.055 50 1 JIGF CC(C)CN(NC(=O)C(C)(C)c1ccc(Cl)cc1)c1nc(C#N)ncc1Br 58568370 DHTGYFQWASYYSF-UHFFFAOYSA-N 450.768 4.236 50 1 JIGF COc1cc2c3c(c1)O[C@](CBr)([C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O 587412709 JVPQNYGTSGDFFM-WEBUEUPWSA-N 466.372 4.223 50 1 JIGF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccc(O[C@H](C)C(=O)NN)cc1)CC2=O 587470455 NOWVIMZECNTXHK-CRYYWNKWSA-N 460.530 4.011 50 1 JIGF COc1ccc(Br)cc1[C@@]1(CBr)NC[C@@H]2CC(=O)N(C)c3cccc1c32 963037661 VSAAAPCNWOVFQE-YUNKPMOVSA-N 480.200 4.150 50 1 JIGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc2c(c1)OCO2 587538646 QVHZEDUHIZJUOD-UGKGYDQZSA-N 455.260 4.373 50 1 JIGF Cc1ccc(S(=O)(=O)C[C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587850830 SMUAESPJKKRHIS-ORAYPTAESA-N 460.796 4.339 50 1 JIGF CC[C@]1(C#N)[C@H](P(=O)(c2ccccc2)c2ccccc2)[N@@]1S(=O)(=O)c1ccc(C)cc1 1857554658 BXUHITINQNYZKT-KYPHJKQUSA-N 450.500 4.012 50 1 JIGF C[C@]12CCSSC[C@]3(CCCC4=C5C[C@H]1CC[C@@H](CCCO)[C@@]52CC4=O)CCNC(N)=N3 85549488 MLPBHZYSEWWJBH-GBFRIWJRSA-N 477.740 4.453 50 1 JIGF biogenic,in-vitro CC(=O)O[C@@H]1C[C@H]2[C@@](C)(C[C@@H](OC(C)=O)[C@@H]3C[C@@]32C)C2=CC[C@](C)([C@H](Br)CO)C[C@H]21 137310321 SNYAFQIWJMZVCJ-AXJPAMIJSA-N 483.443 4.404 50 1 JIGF Cc1ccc([S@@](=O)C2=C(c3ccccn3)OC(N)=C(C#N)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 217405467 FPGVQAYMNBCTMK-AUSOSSAASA-N 458.499 4.283 50 1 JIGF CC(=O)N(C)Cc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587542556 HMCODGIRFVUAIG-RDGATRHJSA-N 451.906 4.466 50 1 JIGF COC(=O)c1cc([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1O 587673640 OXBVBDDTBWYKBR-DGIBIBHMSA-N 487.163 4.253 50 1 JIGF COC(=O)C(=C1Nc2ccccc2N1)[C@@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 587689575 URMGYZJFGADNOJ-MQJDWESPSA-N 480.765 4.479 50 1 JIGF CCN(c1ccc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1)S(C)(=O)=O 587839645 HVLJVBBFVFHHPX-RBZFPXEDSA-N 489.838 4.391 50 1 JIGF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CCSSCCC(=O)NN 587859422 JEBFIKHXDSGDIX-UHFFFAOYSA-N 463.412 4.047 50 1 JIGF O=C(O)[C@H]1C(c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)[C@@H]1C(=O)O 587970969 PQGCLPQKKULBHG-YUMQZZPRSA-N 451.167 4.482 50 1 JIGF CCSc1cccc(C(=O)O[C@@H]2O[C@@H]3O[C@]4(C)CC[C@H]5[C@H](C)[C@H](O)C[C@@H]([C@H]2C)[C@]53OO4)c1 1772632665 YLVDEMVOXNQLTE-DMEASURQSA-N 464.580 4.134 50 1 JIGF NNC(=O)CSc1nc2sc(Cl)c(-c3ccccc3F)c2c(=O)n1-c1cccc(F)c1 28355012 YADOXFSSWJEMMM-UHFFFAOYSA-N 478.933 4.128 50 1 JIGF CCCCN(NC(=O)CC(=O)NN(CCCC)C(=S)c1ccccc1)C(=S)c1ccccc1 34248965 QWVYIUDQPRLNJV-UHFFFAOYSA-N 484.691 4.395 50 1 JIGF O=C(Nc1ccc(N(CCCl)CCCl)cc1)Nc1cccc(OCCN2CCOCC2)c1 66251541 HHVBDMXGLWVPQW-UHFFFAOYSA-N 481.424 4.326 50 1 JIGF COC(=O)c1cc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1O 587537979 MDYVQCCICHPIEA-AUSIDOKSSA-N 485.286 4.136 50 1 JIGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](Oc3ccc(O)n3-c3ccnc(CCl)n3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 587940776 PJRTWOGJLQKTAG-CXFCTBICSA-N 491.972 4.299 50 1 JIGF C[C@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)C1CC1)C(=O)CCl 299804827 YCWDCICZLKVZPD-SUKYMXKSSA-N 478.988 4.103 50 1 JIGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1cn(-c2ccc(F)cc2)nn1 587573682 WQKCDDMZISJHNU-REWPJTCUSA-N 451.841 4.208 50 1 JIGF CC(C)c1nn(C)c2c1[C@](CBr)(c1c(F)cc(Br)cc1F)NCC2 962906616 HIOWBBWMNBTIDZ-KRWDZBQOSA-N 463.164 4.368 50 1 JIGF O=C(O)[C@@H]1Cc2cccc(F)c2[C@](CBr)(c2cccc3c2OC(F)(F)C(F)(F)O3)N1 962911179 YVSOQAGBPQVJQO-SJCJKPOMSA-N 494.210 4.020 50 1 JIGF CN1C(=O)C=C[C@@]2(C)[C@@H]1CC[C@@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@@]2(O)C#CCCI 26002627 QSOSGQIELFNFDC-ZQPKRWIZSA-N 481.418 4.185 50 1 JIGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587009913 XEIUELNYSQHVED-HNNXBMFYSA-N 476.718 4.354 50 1 JIGF COc1cc([C@H]2Oc3c(OC)cc(/C=C/C=O)cc3[C@H]2COC(=O)c2ccc(O)cc2)ccc1O 64380874 JRDSHOZYAFZUGI-HZXUXJRGSA-N 476.481 4.401 50 1 JIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cccc(S(C)(=O)=O)c2)N1 587850885 TYEHBFAQNMOTAC-ZMZPIMSZSA-N 491.220 4.164 50 1 JIGF NNC(=O)c1sc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2c1Cl 587899191 WFQWACSWKYHOMU-UHFFFAOYSA-N 466.777 4.175 50 1 JIGF CCOC(=O)C1=C(C)N(c2ccc(F)cc2F)C(=N)[C@]12C(=O)C(Cl)=C(Cl)C(O)=C2C#N 71316627 YWZZBSSHMUKQDX-FQEVSTJZSA-N 468.243 4.193 50 1 JIGF COC(=O)c1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587615362 XHKKBVQNONMZQB-DYESRHJHSA-N 475.316 4.492 50 1 JIGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](CBr)(c2ccc3c(c2)NC(=O)[C@@H](C)O3)N1 962941404 DTUJBQWMUKHDTH-BZHBSQSBSA-N 454.368 4.450 50 1 JIGF N#CC1=C(N)OC(c2c[nH]c3ccccc23)=C(C#N)[C@H]1c1cc(Br)c2c(c1)OCO2 58590436 PRIKDMSRJKJZAS-LJQANCHMSA-N 461.275 4.402 50 1 JIGF Oc1ccc2c3c1O[C@@H]1c4[nH]c5cccc(N=C=S)c5c4C[C@]4(O)[C@@H](C2)N(CC2CC2)CC[C@@]314 169372264 STPBFHDXZHEIEM-WWKAFPJRSA-N 471.582 4.307 50 1 JIGF NC(=O)NCCC[C@H](N)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587260417 VSRWGLAWXFQSBI-QMMMGPOBSA-N 452.247 4.431 50 1 JIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(C(=O)O)cc2)N1 587672526 GJIDQPKVFFZFEC-MLCYQJTMSA-N 457.137 4.459 50 1 JIGF C[C@H](Oc1ccc([C@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1)C(=O)NN 587751168 WQJXKWQJEKBLOT-TWKFVSLJSA-N 498.396 4.172 50 1 JIGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(C(=O)CBr)ccc1F 587894687 VTIPFALMLKFOKS-UHFFFAOYSA-N 457.126 4.421 50 1 JIGF COc1cc2c(cc1OC)[C@@]1(C[C@H]2NC(=O)CCl)c2ccsc2CCN1Cc1cccnc1 962994733 LTMKORQEUBTFPE-CJFMBICVSA-N 484.021 4.262 50 1 JIGF O=S(=O)(O)SCCC[P+](c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1 1772655846 NXHYDDHUECYIMD-UHFFFAOYSA-O 471.482 4.324 50 1 JIGF CN1C(=O)[C@]2(C(C#N)=C(N)Oc3cc4oc(-c5ccccc5)cc(=O)c4c(O)c32)c2cc(Cl)ccc21 1857601210 GPWDAGUGPSZMMF-MHZLTWQESA-N 497.894 4.168 50 1 JIGF COc1cc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)cc(OC)c1OCc1ccc(NC(C)=O)cc1 29126200 UUSAJNVAVTWELY-UVHMKAGCSA-N 497.935 4.364 50 1 JIGF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@@]1(CCl)c1cc(C(=O)O)[nH]c1[N+](=O)[O-] 961772300 CLJMYARKFKUUKI-QHCPKHFHSA-N 490.944 4.255 50 1 JIGF C[C@H](CC(=O)N[C@@H]1C[C@H](C(Cl)Cl)[C@@H]2CC[C@@H](c3nccs3)N2C1=O)C(Cl)Cl 2356800896 RFJXPGGWBASBCA-LVEVGFFFSA-N 473.253 4.314 50 1 JIGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2CC2=CN[C@H](N)C(=C2)CSSC1 2356864243 VSSUOYPEIIZSQS-CPJLOUKISA-N 488.675 4.385 50 1 JIGF COC(=O)c1cc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1O 587537981 MDYVQCCICHPIEA-CVDCTZTESA-N 485.286 4.136 50 1 JIGF O=C1[C@@H]2Cc3nc[nH]c3[C@@](CCCCCCCl)(c3ccc(Cl)cc3)N2C(=O)[C@@H]2CCCN12 963221870 OROVOMQYZKCBSV-MZLICYQSSA-N 475.420 4.254 50 1 JIGF CN1CCN(C(=O)C(C#N)=Cc2ccc(-c3nc4c[nH]c5nccc-5c4n3C3CCCCC3)o2)CC1 1857638612 VDEZQJOWTFQHBU-UHFFFAOYSA-N 483.576 4.310 50 1 JIGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](Oc3cccc(OC(=O)CCC(=O)O)c3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 103179124 CLYOWKFHQYFILB-IYRSFYGQSA-N 476.522 4.044 50 1 JIGF CCOC(=O)c1ccccc1[C@@]1(CBr)c2cc(OC)c(OC)cc2C[C@H](C)N1C 962619513 DAJCZDYWZMPKCA-WNSKOXEYSA-N 462.384 4.395 50 1 JIGF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@](CBr)(c2cscn2)N1 963179260 KBXDWCCYIRVGHQ-BXUZGUMPSA-N 455.683 4.053 50 1 JIGF CC(C)(C)OC(=O)NC1(/C=N/NC(=O)CCCCCC(=O)Nc2ccccc2O)CCCC1 95808901 ICOPERIMMLIOBI-KOEQRZSOSA-N 460.575 4.221 50 1 JIGF CC(C)c1nn(C)c2c1[C@@](CBr)(c1cc(F)c([N+](=O)[O-])cc1Br)NCC2 962920079 QVAPQJFGAMFCTI-QGZVFWFLSA-N 490.171 4.138 50 1 JIGF CCN(CC)C(=O)c1ccc(C(=O)OCC[C@@H]2CCC[C@@H]3CC[C@@]4(C)OO[C@]23[C@@H](OC)O4)cc1 100858425 HZHZRUSSMBRIGG-WYMBGIKYSA-N 475.582 4.332 50 1 JIGF CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)C(=O)CCCC[C@@H]1CCSS1 169719612 JQCIOOSRGXQZOP-QGZVFWFLSA-N 468.666 4.284 50 1 JIGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(N(C)S(C)(=O)=O)cc2)N1 587840859 NJFVDFLPBRXTHT-HXPMCKFVSA-N 475.811 4.001 50 1 JIGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCC(=O)Nc3cccc([S@](C)=O)c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 73197309 PKBIJBJKFNUHDW-DJJCJCOZSA-N 477.623 4.393 50 1 JIGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n([C@@H]3CCS(=O)(=O)C3)c1C)CC2=O 587493995 VLUZYMJSOXRZOT-WAIKUNEKSA-N 465.999 4.222 50 1 JIGF Cc1cc(F)c([C@@]2(CBr)N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)cc1Br 963521945 DKKIGOAOYIHNJS-HNAYVOBHSA-N 487.163 4.148 50 1 JIGF O=C(Nc1nc2ccc(Cl)cc2s1)NN1C(=O)[C@@H](Cl)[C@H]1c1ccc([N+](=O)[O-])cc1 1857611807 IBSDFSOQMLIEDR-UONOGXRCSA-N 452.279 4.085 50 1 JIGF CC(=O)O[C@H]1C[C@H](Br)C(C)(C)O[C@@]1(C)[C@H]1C[C@@H](Br)[C@](C)(Cl)C[C@@H]1O 49793811 ATUFLYZIGVYGQQ-NCIZBFQTSA-N 490.660 4.171 50 1 JIGF COc1cc2c3c(c1)O[C@@](c1ccc([N+](=O)[O-])cc1)([C@@H](Cl)C(=O)Nc1ccccc1)[C@@H](C2)C3=O 587418795 VJDABWPTFYJEGO-BFMBIBTESA-N 478.888 4.492 50 1 JIGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(O)c(C=O)c2)N1 587672807 ICZRJOXGBALNQF-XTZNXHDOSA-N 457.137 4.279 50 1 JIGF CN(C)CC(=O)Nc1ccc(NC(=O)Nc2ccc(N(CCCl)CCCl)cc2)cc1 221143605 DJZZHPBFXVHLFW-UHFFFAOYSA-N 452.386 4.115 50 1 JIGF COC(=O)C(C)(C)[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587322507 MUZQFJYDHPOAIR-UWJYYQICSA-N 451.288 4.223 50 1 JIGF Cc1oc(-c2ccccc2)cc1C(=O)NN(CC(C)C)c1nc(C#N)ncc1Br 58541082 MTVJHHQKLWGIRO-UHFFFAOYSA-N 454.328 4.487 50 1 JIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)([C@@H](C#N)C(=O)NCc2ccccc2)N1 587686681 DFGUAAYUZBEMID-QTPGKHNVSA-N 464.766 4.013 50 1 JIGF NC(=O)N1CCc2sccc2[C@@]1(CBr)c1ccc(F)c(F)c1Br 962715329 RLNZHCNYJBMOGG-HNNXBMFYSA-N 466.145 4.364 50 1 JIGF CCCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 253635234 DERCOWNWEPPIHD-ZROYSQKBSA-N 481.004 4.493 50 1 JIGF Cc1ccc(-c2nn(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2/C=N/NC(=O)c2ccco2)cc1 473154806 LXKMDZRKYDZMED-FSJBWODESA-N 460.406 4.021 50 1 JIGF CC(=O)NCCc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1F 587559872 ZXGBOPCXLWBDIS-DHLKQENFSA-N 469.896 4.306 50 1 JIGF CC(=O)NCCc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587611121 FLQZOKUJDCXNRP-OFNKIYASSA-N 457.935 4.228 50 1 JIGF CN(CCOc1ccc(C[C@@H]2SC(=O)NC2=O)cc1)C(=O)CCCC[C@H]1CCSS1 3993696 DPKRZECBZUCROC-ROUUACIJSA-N 468.666 4.132 50 1 JIGF Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NN=C(c2ccccc2)c2ccccc2)cc1 40891564 PYTNMCLNYGFUDD-MHZLTWQESA-N 497.620 4.453 50 1 JIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc3c(c2)NC(=O)[C@@H](C)O3)N1 587673908 RIIMNTVERNDLLL-SUTOTMHJSA-N 498.190 4.480 50 1 JIGF COc1ccc(-c2[nH]nc3c2C(=O)c2c(NC(=O)NNC(=O)c4cccc(C)c4)cccc2-3)cc1 14945670 HAJAIWADCDXZLK-UHFFFAOYSA-N 467.485 4.072 50 1 JIGF COc1cc2c(cc1OC)-c1c(c3cc(OC)c(OC)cc3c(=O)n1CCCBr)C2=O 27198556 FJOBMWTXCKDXDL-UHFFFAOYSA-N 488.334 4.032 50 1 JIGF CC(C)CN(NC(=O)c1cccc2c1Cc1ccccc1-2)c1nc(C#N)ncc1Br 58591257 KMQAAHRYBOJQCW-UHFFFAOYSA-N 462.351 4.489 50 1 JIGF CCOP(=O)(OCC)C(F)(F)[C@]1(C(F)(F)F)N=C2C=CC(Cl)=CN2C(N)=C1C#N 82053136 ICOVLOQTWCGZGY-ZDUSSCGKSA-N 460.727 4.204 50 1 JIGF CN1C(=O)C=C[C@]2(C)[C@H]3CC[C@@]4(C)[C@H](CC[C@@]4(O)C#CCCI)[C@@H]3CC[C@@H]12 169364336 QSOSGQIELFNFDC-UCKAWJCSSA-N 481.418 4.185 50 1 JIGF COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4cc(NC(=O)CCl)ccc41)[C@@H](C2)C3=O 587423268 UQXOHBWJTJJKFS-RXFWQSSRSA-N 459.885 4.108 50 1 JIGF COc1ccc(-c2cc(C=NNC(=O)c3cnn(-c4ccccc4)c3N)n(-c3ccccc3)n2)cc1 957994846 YQNHQZMNGNLEBV-UHFFFAOYSA-N 477.528 4.080 50 1 JIGF Fc1cc(Br)cc(F)c1[C@@]1(CBr)NCCc2nc3ccccn3c21 962991440 VZOYXOZZGWGXTA-QGZVFWFLSA-N 457.116 4.159 50 1 JIGF O=C(NNC(=S)Nc1ccc(OC(F)(F)F)cc1)c1ccc(S(=O)(=O)c2ccccc2)cc1 82154059 CTXBSRNAIKDQAR-UHFFFAOYSA-N 495.504 4.049 50 1 JIGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc2c(cc1CBr)OCO2 587877132 VXUGNDOGTYEFMO-UHFFFAOYSA-N 455.135 4.327 50 1 JIGF COc1ccc(/C=N/NC(=O)Nc2ccc(Oc3cc[nH]c4nccc3-4)cc2)c(OC)c1OC 1857773869 RRTKMTXGPUSIIB-MZJWZYIUSA-N 461.478 4.488 50 1 JIGF CC(=O)NCCc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1F 587557676 OKTWHEHSLVLTQF-RDGATRHJSA-N 469.896 4.306 50 1 JIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cccc(C(=O)O)c2)N1 587673530 NTLZSDIDNRRIGJ-MLCYQJTMSA-N 457.137 4.459 50 1 JIGF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@]1(CCl)c1cc(C(=O)O)[nH]c1[N+](=O)[O-] 961772295 CLJMYARKFKUUKI-HSZRJFAPSA-N 490.944 4.255 50 1 JIGF C[C@]1(c2ccccc2NC(=O)CCCCl)N[C@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962623280 BEDJGHRXTIJIPM-RXVVDRJESA-N 470.875 4.405 50 1 JIGF COC(=O)[C@]1([C@H](Br)C(=O)c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587669250 CIEKSLOJTLOFPC-WLJAHRKQSA-N 499.174 4.137 50 1 JIGF O=C(NNC(=O)c1ccccc1Nc1ccc2c(/C=C/c3ccccn3)[nH]nc2c1)c1ccc[nH]1 1772632556 UPDLCPJQCUEQMI-ACCUITESSA-N 463.501 4.275 50 1 JIGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OCCn3nncc3-c3ccccc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1772635822 YEICTBHTEQIRMM-NCKFVDEJSA-N 455.555 4.170 50 1 JIGF CC(C)C[C@@H](NC(=O)[C@H](CI)Cc1ccccc1)C(=O)Nc1ccccc1 1650920 JVSAMVNCXRHSFH-AZUAARDMSA-N 478.374 4.450 50 1 JIGF CCCc1c(O)ccc2c1O[C@@](CBr)(CS(=O)(=O)c1ccc(C)cc1)CC2=O 587482855 FEQJLUONCKDJLU-NRFANRHFSA-N 467.381 4.226 50 1 JIGF COc1ccc(C(=O)[C@H](Br)[C@@H](SCCN)c2ccc(OC)c(OC)c2)c(OC)c1 1772647269 UZNWBYMIXUPFMN-FPOVZHCZSA-N 484.412 4.100 50 1 JIGF CCOC(=O)C[C@]1([C@@H](C)Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587319144 AJFQJDWKOFDCID-PCFDJQJPSA-N 451.288 4.366 50 1 JIGF C=C[C@]1(C)[C@H](Cl)C[C@@H]2C(C)(C)c3cccc4c3[C@]3(O)C(=N4)C(C)(C)[C@@H]4O[C@@H]4[C@]1(N=C)[C@@]23O 2356517054 VDAJARRRXROUOD-UCMRRSSYSA-N 454.998 4.049 50 1 JIGF COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccccc2Br)N1C(=O)CCl 49783618 XZPOZBAAIJTUFZ-PXNSSMCTSA-N 461.743 4.185 50 1 JIGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Br)cc1)([C@@H](Br)CC(=O)O)O2 587371729 FVRZMHHEJJHABG-LPHOPBHVSA-N 483.156 4.439 50 1 JIGF CCCc1c(O)ccc2c1O[C@@](c1ccc(OCC(=O)O)cc1)([C@H](C)Br)CC2=O 587455381 BDVNYTAPWCNDGV-WHEQGISXSA-N 463.324 4.452 50 1 JIGF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@H](c2sc(=O)n(CCCl)c2Cl)N1 963189874 VZAJRIALMYTQNM-QWRGUYRKSA-N 475.703 4.163 50 1 JIGF O=C(NC(=O)c1c(F)cccc1F)Nc1ccc([S@@](=O)C(F)(F)[C@H](F)Cl)cc1F 31500380 XNWHILOULBJPKV-MMEWPQADSA-N 458.767 4.301 50 1 JIGF CC1CCN(Cc2ccc3nc(NC(=O)N/N=C4\C(=O)Nc5ccc(F)cc54)sc3c2)CC1 299867839 YVPUPKMBIORCHY-UHFFFAOYSA-N 466.542 4.145 50 1 JIGF CCCc1c(O)ccc2c1O[C@](CNC(=O)CCl)(c1ccccc1Br)CC2=O 587456428 OMXJEUQWWWNXDR-OAQYLSRUSA-N 466.759 4.323 50 1 JIGF N#C[C@H](C(=O)NCc1ccc(Cl)cc1)[C@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587545391 RKDNHUDKRBZTJW-JYMRHQFYSA-N 497.334 4.441 50 1 JIGF CC[C@]12CCC[N+]3([O-])C[C@@H](Br)[C@]4(C(=Nc5ccccc54)[C@@](Cl)(C(=O)OC)C1)[C@H]23 40380303 KYBDGGCCUMEBOX-WUABXYGISA-N 467.791 4.215 50 1 JIGF O=C(CSc1ncccn1)N/N=c1/scc(-c2ccc(Br)cc2)n1-c1ccccc1 103238679 SGRWFSMNOCXRGV-YYADALCUSA-N 498.431 4.483 50 1 JIGF Cc1ccc(S(=O)(=O)C[C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587534192 XXJKKTWWGYWCLJ-QFIPXVFZSA-N 463.393 4.447 50 1 JIGF CC[C@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2CC2=CN[C@H](N)C(=C2)CSSC1 2356864245 VSSUOYPEIIZSQS-LMKMVOKYSA-N 488.675 4.385 50 1 JIGF C[C@@H]1CC[C@H]2[C@@](C)(C(=O)NCc3ccc(C(F)(F)F)cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 103192727 JQEVZXRZEKAMHQ-HFKCGEJJSA-N 455.473 4.326 50 1 JIGF Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)[C@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)cc1 587408816 IVDCZTIJEKZJPQ-AZGAKELHSA-N 499.032 4.418 50 1 JIGF COc1cc(Nc2nc(C(F)(F)F)ccc2C(=O)N/N=C/c2ccc(O)cc2)cc(OC)c1OC 1772636322 ZOJOKIHORXLWLF-KKMKTNMSSA-N 490.438 4.339 50 1 JIGF CC(C)(C)n1nnc([C@H](CCCNC(=N)CCl)NC(=O)c2ccc(-c3ccccc3)cc2)n1 299858197 DIOMRRQEFJDBMC-FQEVSTJZSA-N 468.005 4.152 50 1 JIGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2cn(-c3ccc(F)cc3)nn2)N1 587737456 ZWWCTWGFDUSHRI-WLRWDXFRSA-N 453.718 4.325 50 1 JIGF COc1cc2c(cc1OC)[C@](CBr)(c1ccc([N+](=O)[O-])c(OC)c1)N(C)[C@H](C)C2 962560478 CGOGJZZIYBQERF-ASSNKEHSSA-N 465.344 4.136 50 1 JIGF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@](CCl)(c2cnc(N3CCCCC3)s2)N1 962966891 BBDUCHOLFWDGDK-DJJJIMSYSA-N 462.349 4.146 50 1 JIGF COC(=O)[C@H](Oc1c(OC)cc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)cc1OC)c1ccccc1 13439040 CWKDMVUBHBOZPH-QESWDSMOSA-N 498.919 4.120 50 1 JIGF O=C(NCC(=O)N1c2ccccc2Sc2ccccc21)NN1C(=O)[C@@H](Cl)[C@H]1c1ccccc1 98082176 TVSPUTPGVFTAAE-FCHUYYIVSA-N 478.961 4.221 50 1 JIGF Cc1cc(CNC(=O)[C@@H]2C[C@H]2[C@@H](NP(=O)(c2ccccc2)c2ccccc2)c2ccccc2)nn1C 64754832 YYRIMQHQEDUOIG-FCEKVYKBSA-N 498.567 4.241 50 1 JIGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n([C@@H]3CCS(=O)(=O)C3)c1C)CC2=O 587493993 VLUZYMJSOXRZOT-MWTRTKDXSA-N 465.999 4.222 50 1 JIGF COC(=O)C(=C1Nc2ccccc2N1)[C@@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21 587688985 OPKIMGKRALBTOG-FIKIJFGZSA-N 480.765 4.479 50 1 JIGF COc1ccc(-c2ccc(C(=O)NNC(=S)Nc3ccc(Cl)cc3)c(C)n2)cc1OC 1857570409 VZUWHEMGQLUQTH-UHFFFAOYSA-N 456.955 4.359 50 1 JIGF CC(=O)Nc1ccc([C@]2([C@H](C)Cl)N[C@H](C(=O)O)Cc3c(C(F)(F)F)cc(F)cc32)cc1 962703138 HVFIJQDLCYRVHA-RHSNALOTSA-N 458.839 4.273 50 1 JIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)([C@H]2CCCN2C(=O)C(F)(F)F)N1 587711340 WTRBPFKNKQQWDM-ULMHFPJVSA-N 457.693 4.110 50 1 JIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(NS(C)(=O)=O)cc2)([C@@H](C)Cl)N1 587838697 DUSNFZRDNYYCFN-CLUVUEOHSA-N 475.811 4.365 50 1 JIGF CCCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@H](O)C[C@@]21C 58587330 DERCOWNWEPPIHD-BHCJICKOSA-N 481.004 4.493 50 1 JIGF CC[C@]12CCC[N@+]3([O-])C[C@@H](Br)[C@]4(C(=Nc5ccccc54)[C@@](Cl)(C(=O)OC)C1)[C@H]23 299806686 KYBDGGCCUMEBOX-KSTLBOGJSA-N 467.791 4.215 50 1 JIGF CC(C)(C)OC(=O)N1CC[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@H](Br)C1 587546290 VLMVETSJTUOYSI-PNCHPQGNSA-N 490.350 4.497 50 1 JIGF Cc1ccc(S(=O)(=O)C[C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587845499 AZKUATVXJXORCR-YJYMSZOUSA-N 460.796 4.339 50 1 JIGF O=C1COc2ccc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2N1 587328170 TVBWFJXMESTENO-VWNXMTODSA-N 453.853 4.355 50 1 JIGF C[C@@H]1Oc2ccc([C@]3(CBr)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2NC1=O 587673906 RIIMNTVERNDLLL-NLQQUQSOSA-N 498.190 4.480 50 1 JIGF CCOC(=O)c1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2cccc(Cl)c2)c1 13779094 WCFFPYQXWQRBQE-UHFFFAOYSA-N 477.908 4.364 50 1 JIGF COC(=O)[C@H]1[C@@H](c2ccc(I)cc2)C[C@H]2CC[C@H]1N2CCCBr 100761567 NBDQDRSEYYQZOF-VQHPVUNQSA-N 492.195 4.186 50 1 JIGF Oc1ccc2c3c1O[C@@H]1c4[nH]c5cc(N=C=S)ccc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 253687027 HLCHHTQVTBACKD-ORZNUPDKSA-N 471.582 4.307 50 1 JIGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1nc[nH]n1 587545618 RUPVDYVTMUKRCH-XXBNENTESA-N 450.882 4.014 50 1 JIGF COC(=O)Nc1nc2ccc(OCC(=O)N/N=C(\C)c3ccc(Br)cc3)cc2s1 653792968 HTQDGQJYGMHYJO-FOKLQQMPSA-N 477.340 4.156 50 1 JIGF CCOC(=O)/C(C#N)=C/[C@H](C(=O)N1c2ccccc2Sc2ccccc21)[n+]1ccc(N(C)C)cc1 95595389 HFNIXJAPTHGHLT-BIHRDVDLSA-N 485.589 4.424 50 1 JIGF O=C(NCC(=O)N1c2ccccc2Sc2ccccc21)NN1C(=O)[C@H](Cl)[C@H]1c1ccccc1 98082178 TVSPUTPGVFTAAE-FGZHOGPDSA-N 478.961 4.221 50 1 JIGF COc1ccc(C=NNC(=O)Cn2c(CSc3ccccc3)nc3ccccc32)c(OC)c1 254200485 REHRSHXTTDVIIP-UHFFFAOYSA-N 460.559 4.496 50 1 JIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1cc(C#N)c(O)nc1CC[C@H]2Br 587677452 AJQDZWIPBSMOAW-BJBLRFPOSA-N 481.163 4.048 50 1 JIGF O=C(O)[C@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@@](CBr)(c2ccnc(Cl)c2F)N1 962699940 DXZAUUFRUKQVCS-MLGOLLRUSA-N 485.634 4.269 50 1 JIGF C=C(C#N)CN1C[C@H](OC[C@@]23C[C@@H]4[C@H](C)CC[C@H]4[C@@]4(C=O)C[C@@H]2C=C(C(C)C)[C@]43C(=O)O)OC[C@H]1C 58555756 MTGVMXPQKIAMSN-LQZGIBPISA-N 496.648 4.054 50 1 JIGF COC(=O)c1cc([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1O 587673123 KLXUEGIWIDOYSS-APBUJDDRSA-N 487.163 4.253 50 1 JIGF COC(=O)C1=CN(c2ccc3c(c2)OCO3)C(N)=C(C#N)[C@H]1c1ccc(-c2ccccc2)cc1 95566923 IFTNIOIUELWPQK-RUZDIDTESA-N 451.482 4.437 50 3 JIGF C[C@@H]1CC(C)(C)N[C@@H](C[C@@H](O[P@@](N)(=O)N(CCCl)CCCl)c2ccccc2)O1 14243571 PDPLMKYBMAZTOG-SDEKOSLLSA-N 452.363 4.484 50 1 JIGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)[C@H]1COc2ccccc2O1 587538654 QZADNOFATNEGLS-QTEQDKRBSA-N 469.287 4.328 50 1 JIGF Cc1ccc([C@]2(CBr)c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)cc1F 962657551 CFWZOEVXNDAHNE-DHIUTWEWSA-N 457.343 4.419 50 1 JIGF CCOC(=O)C1=CN(Cc2ccc(OC)c(OO)c2)C=C(C(=O)OCC)C1c1cccc(F)c1 95594095 XDTGDGBOLCEITP-UHFFFAOYSA-N 471.481 4.180 50 1 JIGF CCOCCOC(=O)/C(C#N)=C(\NCc1ccc(OCc2cnc(Cl)s2)cc1)C(C)C 98082757 SLKDNQRYGCKYDO-VXPUYCOJSA-N 463.987 4.478 50 1 JIGF CCOCCOC(=O)/C(C#N)=C(\NCc1ccc(OCc2cnc(Cl)s2)c(OC)c1)C(C)C 103281011 BOHVKJMWUSZNLH-UZYVYHOESA-N 494.013 4.487 50 1 JIGF COC(=O)C[C@@H](O)[C@H]1OCC/C(=C\COCc2ccccc2)[C@H]1O[Si](C)(C)C(C)(C)C 194832314 NZCHRBWJTJGDAI-YSTMLFNISA-N 450.648 4.233 50 1 JIGF O=C(Nc1nc2ccc(Cl)cc2s1)NN1C(=O)[C@@H](Cl)[C@@H]1c1ccc([N+](=O)[O-])cc1 1857611805 IBSDFSOQMLIEDR-KBPBESRZSA-N 452.279 4.085 50 1 JIGF Cc1cc(/C=C/C#N)cc(C)c1Oc1cc(NCCN2CCNCC2)nc(Nc2ccc(C#N)cc2)n1 1857642841 MVFPJNHSTSIHDC-ONEGZZNKSA-N 494.603 4.355 50 1 JIGF CC(=O)NCCc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1F 587557677 OKTWHEHSLVLTQF-WIOPSUGQSA-N 469.896 4.306 50 1 JIGF CCOC(=O)[C@H](Cl)Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 587884534 MGRNRKVYPMMGRR-HXUWFJFHSA-N 452.765 4.417 50 1 JIGF CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)c2ccccc2Cc2ccccc2)C1 618008228 CFBJBNAQFVYTGK-QHCPKHFHSA-N 485.719 4.189 50 1 JIGF N#C/C(=C(/N)Sc1ccccc1N)c1cccc([C@@H](O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 38145321 YSNCPAJGYPDDEK-KXZIGNATSA-N 463.475 4.110 50 1 JIGF CC(=O)NCCc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1F 587559873 ZXGBOPCXLWBDIS-RCZVLFRGSA-N 469.896 4.306 50 1 JIGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](N3CCN(Cc4cccc(F)c4)CC3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1857752891 ZLZHIFBVLQJWPR-UFMQUTSLSA-N 460.590 4.151 50 1 JIGF CC(C)=CN1C[C@@H](c2ccccc2)[C@H](C(=O)N/N=C(\C)c2cccc(Br)c2)C1=O 40872573 GWPZAGFGUDBXOK-JLCFHOEASA-N 454.368 4.455 50 1 JIGF C[C@H]1[C@@H](Oc2cccc(OC(=O)CCC(=O)O)c2)O[C@@H]2O[C@]3(C)CC[C@@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 103179122 CLYOWKFHQYFILB-AVDPPOOCSA-N 476.522 4.044 50 1 JIGF CN(C)/C=N\C1=N[C@@H]2[C@H](O1)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C 195402646 WGSNTEISSKRDTA-YXRUVRIESA-N 457.764 4.468 50 1 JIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc3c(c2)NC(=O)CO3)([C@@H](C)Cl)N1 587689406 SDMXZPMBJGNJQT-HZNYWTHISA-N 453.739 4.324 50 1 JIGF O=C(COc1c(Br)cc(Br)c2cccnc12)N/N=C/c1ccccc1 96910082 JZNWQBZQLAXRNW-LSHDLFTRSA-N 463.129 4.289 50 1 JIGF CCCc1c(O)ccc2c1O[C@](CBr)(c1cccc(S(C)(=O)=O)c1)CC2=O 587489445 UZYZPUJAHJJYDK-HXUWFJFHSA-N 453.354 4.004 50 1 JIGF COc1cc(N[C@H](C)CCCNC(=O)NNC(=O)/C(C)=C/c2ccccc2)c2ncccc2c1 1857749386 MYYHOSTYPKECEH-LRXXLLMYSA-N 461.566 4.258 50 1 JIGF C=C(NNC(=O)[C@H](C)Oc1ccccc1Cl)c1cccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)c1 28826002 BHHAGUYZEJPNET-DBVUQKKJSA-N 485.968 4.229 50 1 JIGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCc3ccc(CN4CCOCC4)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 43911344 GMFYZQUJZWTJSP-AGICHSQBSA-N 473.610 4.243 50 1 JIGF N#CC1=C(N)N(c2ccc(S(N)(=O)=O)cc2)C2=C(CCCC2)[C@H]1c1c(O)ccc2ccccc12 102138986 YQRVRFRLPSGVPL-XMMPIXPASA-N 472.570 4.319 50 1 JIGF CC(=O)OC/C=C1\CC[C@H]2[C@@H]3CC[C@H]4CC(=O)[C@H](Br)C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C 73196729 JZALEIVTEMYIQZ-UMIYKGRZSA-N 453.417 4.432 50 1 JIGF COc1ccc2[nH]c(-c3cccc4ccccc34)c(CCNC(=O)CI)c2n1 219042610 ZYVDSJZCXRMXGR-UHFFFAOYSA-N 485.325 4.485 50 1 JIGF in-vitro C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4[C@@H](Br)[C@H](O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C 238734447 OWEZEFLAXPQGSA-AXVRDZNVSA-N 483.443 4.239 50 1 JIGF O=C([C@@H]1NN2[C@H](N[C@H](c3cccs3)C[C@@H]2C(F)(F)F)[C@@H]1Cl)N1CCC[C@H]2CCCC[C@H]21 254046373 CRMJZPWOTGBJOQ-AONWQQRQSA-N 476.996 4.017 50 1 JIGF CCOC(=O)c1cc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)on1 587321389 JNWFSKUIQJKFEY-UGKGYDQZSA-N 490.281 4.345 50 1 JIGF O=C1COc2ccc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2N1 587328165 TVBWFJXMESTENO-LADGPHEKSA-N 453.853 4.355 50 1 JIGF C[C@]1([C@H](Cc2ccccc2)NC(=O)CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587546723 XJPLZCFYYIKYKT-UWDQQESISA-N 451.906 4.079 50 1 JIGF C=C1C[C@H]2O[C@H]([C@H]3[C@@H]2[C@](C)(OC(C)=O)C[C@@H](O)[C@@H]3C(C)C)[C@](C)(OC(=O)CCC)CC[C@@H]1OO 82151147 OMSNLYUISSVECK-QKLXMNDISA-N 482.614 4.045 50 1 JIGF COc1ccc2c3c1O[C@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@@]42C=C[C@@]1(OC)[C@@H]([C@H](C)N=C=S)C2 100660548 CBPASLHMRDUOQC-KFSXVKSRSA-N 464.631 4.187 50 1 JIGF COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@@H](C2)[C@]42C=C[C@@]1(OC)[C@@H]([C@@H](C)N=C=S)C2 169728599 CBPASLHMRDUOQC-KRFPOBAYSA-N 464.631 4.187 50 1 JIGF COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4ccc(NC(=O)CCl)cc41)[C@@H](C2)C3=O 587420056 GFWQNMUOBOTHQS-FNZWTVRRSA-N 459.885 4.108 50 1 JIGF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@](CBr)(c2ccc(Cl)c(Br)c2)N1 962901704 RRIDOKDJDFLWKJ-WMLDXEAASA-N 477.555 4.479 50 1 JIGF CS(=O)(=O)[C@H](Br)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587606608 ILLZCZQDYRCDKW-BVYCBKJFSA-N 489.343 4.015 50 1 JIGF CSCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C)[C@@]3(F)[C@@H](O)C[C@]21C 253636167 VGEUQJLFIRSAFP-DPGLCZLZSA-N 499.044 4.056 50 1 JIGF CCC[C@H](C[C@@H](OC(C)=O)[C@H](Cl)Br)OC(=O)C(Br)Br 2356804874 ZMIXJOFTRLAWSP-MRTMQBJTSA-N 487.410 4.096 50 1 JIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2c[nH]c(C(=O)N3CCCC3)c2)N1 587683714 HSIKBTQOGLYLOI-ODXCJYRJSA-N 454.771 4.169 50 1 JIGF CC(=O)NCCc1ccc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)s1 587847330 KLOMXIAFJFKVPX-NSPYISDASA-N 459.812 4.345 50 1 JIGF CC(=O)OCC(=O)[C@@]1(O)[C@@H](C)C[C@H]2[C@@H]3CC[C@H]4CC(=O)[C@@H](Br)C[C@]4(C)[C@H]3CC[C@@]21C 2356732844 AEDZUDVIFQHWGD-KDUAEPCQSA-N 483.443 4.081 50 1 JIGF COc1ccc(-c2[nH]nc3c2C(=O)c2c(NC(=O)NNC(=O)Nc4ccccc4)cccc2-3)cc1 14945674 QBBYPTLMIWFRMD-UHFFFAOYSA-N 468.473 4.155 50 1 JIGF Cc1c(/C=N\NC(=O)c2ccc(Br)cc2)c2ccccn2c1C(=O)c1ccncc1 33401767 XFLGAUCOFQEELX-WGARJPEWSA-N 461.319 4.400 50 1 JIGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1cn(-c2ccc(F)cc2)nn1 587573681 WQKCDDMZISJHNU-OFNKIYASSA-N 451.841 4.208 50 1 JIGF CC1(C)CC2=C(C(C#N)(C#N)C(C#N)=C(N)O2)[C@]2(C1)c1cccc(F)c1CCN2[C@@H]1CCSC1 962709514 OEXKQECBBWSHNQ-DXPJPUQTSA-N 475.593 4.216 50 1 JIGF C=C[C@@H](O)[C@@H](CCOO[C@H]1CC[C@@]2(C)C(=CCC3=C4O[C@@H]5CO[C@]6(C)OC[C@@]4(CC[C@@H]32)[C@H]56)C1)OC 238733191 GSUWOLFPOHANSY-JGWVOBAOSA-N 488.621 4.218 50 1 JIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H](Cc2ccccc2)NC(=O)CCl)N1 587685381 PTWSRRYGMOLHPD-QKAVXHIFSA-N 453.783 4.304 50 1 JIGF CC(=O)NCCc1ccc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1F 587725065 MZAWOPHAKWDRKV-LAJNKCICSA-N 471.773 4.423 50 1 JIGF C/C(=N\NC(=O)c1ccc(Cn2cc(Br)cn2)o1)c1cccc(NC(=O)C(C)C)c1 659495 UPJGSPDFPZTKIV-AFUMVMLFSA-N 472.343 4.035 50 3 JIGF COC(=O)CCn1c(C)cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587547239 ZKAAVGKDGAWUMU-WIOPSUGQSA-N 469.921 4.470 50 1 JIGF CCCCCC[C@H](C)C=C(C)C=CC(=O)N[C@@H]1C[C@]2(C=C(Cl)C(=O)[C@H](Cl)[C@@H]2O)O[C@@H]1OC 2356380443 HCHKYWWJMUJBHB-RMPBZPBHSA-N 488.452 4.386 50 1 JIGF CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)O)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)[C@H]2Br 587530350 CCZFEYILBFQAOW-JJJJLYANSA-N 483.424 4.357 50 1 JIGF COc1cccc(NC(=O)[C@H](Cl)[C@@]2(c3ccccc3)NCCc3c2c(C(C)C)nn3C)c1 962918967 OIWOXBSIGYLTFQ-ZCYQVOJMSA-N 452.986 4.188 50 1 JIGF C[C@]12C=C3C(=O)O[C@@H](c4ccccc4Br)C[C@@]3(OO1)O[C@H]2c1ccc([N+](=O)[O-])cc1 96934092 RHPHEJQZMPXNFE-JYRKZWEQSA-N 474.263 4.460 50 1 JIGF NNC(=O)c1ccc2[nH]c(-c3cccn(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3=O)nc2c1 587110653 FOKSTDFVIWYOOA-UHFFFAOYSA-N 495.383 4.081 50 1 JIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1cc(C#N)c(O)nc1CC[C@H]2Br 587681979 LZDVBPJZWNDCQG-OFMJAFOWSA-N 481.163 4.048 50 1 JIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(N(C)S(C)(=O)=O)cc2)N1 587839265 GFRZOLKGKJFATO-CWTRNNRKSA-N 475.811 4.001 50 1 JIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)([C@H](Br)S(C)(=O)=O)N1 587850860 SXTHSNUODVECBG-AFBMGJRZSA-N 491.220 4.132 50 1 JIGF O=C(CCl)Oc1ccc(/C=C/c2cc(OC(=O)CCl)cc(OC(=O)CCl)c2)cc1 1772607313 AGXAZMQHYZELIR-OWOJBTEDSA-N 457.693 4.290 50 1 JIGF COc1ccc2c3c1O[C@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42C=C[C@@]1(OC)[C@H]([C@@H](C)N=C=S)C2 36311347 CBPASLHMRDUOQC-VZSUCZDRSA-N 464.631 4.187 50 1 JIGF CN(C)CCSSCCNC(=O)C1CCN(C(=O)c2ccccc2Oc2ccccc2)CC1 618009067 RIZIJPDKRQBSCE-UHFFFAOYSA-N 487.691 4.390 50 1 JIGF C=C1Cc2c(O)cc3c(c2O)C(=O)C2=C[C@H](Cl)C(C)(C)O[C@@]2(CC=C(C)CC[C@@H]1O)C3=O 2356712876 QNUSKIGTELENRX-FXJWSJNKSA-N 458.938 4.148 50 1 JIGF C[C@H](S[C@H](C)C(=O)N/N=C\c1cccc(Cl)c1)C(=O)N/N=C/c1cccc(Cl)c1 31637713 RDHHPZFEIPDNPL-OQOIHLKCSA-N 451.379 4.104 50 1 JIGF CCOC(=O)[C@@H]1CCC[C@H](Br)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587682793 NQDXCCYIRMPILS-ZTKNCTOKSA-N 463.185 4.444 50 1 JIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2cn(-c3ccc(F)cc3)nn2)N1 587736486 WCENMWOHDLHFAR-NSPYISDASA-N 453.718 4.325 50 1 JIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(NS(C)(=O)=O)cc2)([C@@H](C)Cl)N1 587838698 DUSNFZRDNYYCFN-HNYWDRBLSA-N 475.811 4.365 50 1 JIGF C=C[C@]1(C)[C@H](Cl)C[C@@H]2C(C)(C)c3cccc4c3[C@]3(O)C(=N4)C(C)(C)[C@@H]4O[C@@H]4[C@@]1(N=C)[C@]23O 2356517052 VDAJARRRXROUOD-IQHHOBCISA-N 454.998 4.049 50 1 JIGF CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)C[C@@H]1O[Si](C)(C)C(C)(C)C 195515713 XTEPBIUQFMKCPD-YESZJQIVSA-N 474.722 4.375 50 1 JIGF COc1cc([C@]2(CBr)c3cc(OC)c(OC)cc3C[C@@H](C)N2C)c(F)cc1O 962640824 RXYXRPBLLGZXGY-GTJPDFRWSA-N 454.336 4.072 50 1 JIGF COC(=O)C1=C(C)NC(C)=C(c2nc3ccc(C(=O)NN)cc3[nH]2)[C@@H]1c1cccc(Cl)c1Cl 587055747 MLAFJGCUOWTAQQ-IBGZPJMESA-N 486.359 4.038 50 1 JIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CN(C(=O)OC(C)(C)C)C[C@H]2Br)N1 587679493 GGQVCSQSFVVQOV-TZOQJCELSA-N 478.200 4.332 50 1 JIGF CCN(CC)CN1C(=O)/C(=N\NC(=O)c2ccccc2OCc2ccccc2)c2ccccc21 653726412 XCXYTJLURXAZDR-FVDSYPCUSA-N 456.546 4.046 50 1 JIGF Oc1ccc2c3c1O[C@H]1[C@H](OCc4cccc(N=C=S)c4)CC[C@@]4(O)[C@H](C2)N(CC2CC2)CC[C@]314 100729887 HUGRODXDKPWVHV-XYNQSRFLSA-N 490.625 4.276 50 1 JIGF CO[C@@]1(C)OOC(c2ccc(F)cc2)(c2ccc(F)cc2)C[C@H]1CNCCCn1ccnc1 1857598886 BRRYYMYPBYGBMP-URXFXBBRSA-N 457.521 4.416 50 1 JIGF O=C1/C(=N\C(=S)NCc2cc3ccccc3cc2O)c2ccccc2N1CCBr 1857751102 YZYSJBPHILALJQ-QQTULTPQSA-N 468.376 4.151 50 1 JIGF C/C(=N\NC(=O)c1ccc(/C=C2/C(=O)Nc3ccc(Cl)cc32)cc1)c1c(O)cc(O)cc1O 474603523 CNBBFVUQMROPRC-YEEZLWMYSA-N 463.877 4.104 50 1 JIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2c[nH]c(C(=O)N3CCCC3)c2)N1 587685312 PQRCEYHXSUNMPC-ODXCJYRJSA-N 454.771 4.169 50 1 JIGF COc1cc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)c(Br)cc1O 95808518 ZCXSFEMIDMZJIV-ZVHZXABRSA-N 492.370 4.298 50 1 JIGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc(C(Br)Br)nc1 587874756 FZCDTRXNTCXLQY-UHFFFAOYSA-N 491.998 4.282 50 1 JIGF CN(C)CCSSCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(Oc3ccccc3)cc2)C1 618008338 YNTMBKGYZLZCPZ-OAQYLSRUSA-N 487.691 4.390 50 1 JIGF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(c1ccccc1)[C@@H](Cl)C(=O)Nc1ccc2c(c1)OCO2 963614915 ZTZPPECBSDEPJX-BNKYSVCDSA-N 494.975 4.456 50 1 JIGF O=C(N/N=C1/c2ccccc2-c2nc3ccccc3nc21)c1cccc(I)c1 103228894 MQTAMUKCMXVOPA-QOMWVZHYSA-N 476.277 4.397 50 1 JIGF CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc3c(c1)CCCN3S(C)(=O)=O)CC2=O 587491087 IDURONGFCAZPPG-HSZRJFAPSA-N 463.983 4.156 50 1 JIGF CC(=O)O[C@@H]1C[C@@](C)(Cl)[C@H](Br)C[C@@H]1[C@]1(C)OC(C)(C)[C@@H](Br)C[C@@H]1O 138451699 TXUIEJDHDWIUIB-AFEYPSKUSA-N 490.660 4.171 50 1 JIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(/C(C#N)=C2\NC(=O)c3ccccc3N2)N1 587689136 PYBWXMMCJQURBE-XWUPWOHFSA-N 475.749 4.147 50 1 JIGF COc1cc([C@]2(CBr)c3cc(OC)c(OC)cc3C[C@H](C)N2C)c(F)cc1O 962640835 RXYXRPBLLGZXGY-QKVFXAPYSA-N 454.336 4.072 50 1 JIGF O=C(CBr)c1ccc(O)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587537466 FRXJMQMLAXQPII-SIKLNZKXSA-N 455.260 4.378 50 1 JIGF C[C@@H]1C[C@H](C)[C@H](O)C(C#N)=CC=CC[C@H]([C@@H]2CC[C@@H]2C(=O)O)OC(=O)C[C@H](O)[C@@H](C)C[C@H](C)C1 2356585739 AOKPUKQFVXDBSJ-PTAVZITASA-N 475.626 4.245 50 1 JIGF O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(S(=O)(=O)C(F)(F)[C@H](F)Cl)cc1Cl 31500274 GSQFBIMIYZOCFO-AWEZNQCLSA-N 491.221 4.481 50 1 JIGF Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1[C@H]1CCS(=O)(=O)C1 587532994 SRZIFOUQKBXCNH-MHECFPHRSA-N 462.011 4.443 50 1 JIGF COc1cc2c(cc1OC)[C@](CBr)(c1ccc(N3CCCC3=O)cc1)N(C)[C@@H](C)C2 962621124 BAIZLSBCIJFUKH-FYSMJZIKSA-N 473.411 4.346 50 1 JIGF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@H](c2cc([N+](=O)[O-])cc(CCl)c2O)N1 963179041 FNHQVDSVMCEVKS-GJZGRUSLSA-N 465.211 4.400 50 1 JIGF O=C(N/N=C/c1cc(Br)ccc1O)c1cc(Br)ccc1Br 1857572212 UULGWNNPMLSGQH-CNHKJKLMSA-N 476.950 4.444 50 1 JIGF COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccccc2Br)N1C(=O)CCl 49113346 XZPOZBAAIJTUFZ-YLJYHZDGSA-N 461.743 4.185 50 1 JIGF Oc1ccc2c3c1O[C@H]1c4[nH]c5cc(N=C=S)ccc5c4C[C@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 253687020 HLCHHTQVTBACKD-FBZFJNBBSA-N 471.582 4.307 50 1 JIGF Cc1c([C@@]2(CBr)NCC(C)(C)c3cc4c(cc32)OCO4)cnn1-c1ccccc1 963390425 JINYCEIHCIWBPQ-QHCPKHFHSA-N 454.368 4.429 50 1 JIGF O=C(N/N=C/c1ccco1)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2N[C@@H]1c1ccco1 1772641114 VZFASXHROUMMPU-FDTOPWJRSA-N 454.486 4.201 50 1 JIGF C=C[C@]1(C)[C@H](Cl)C[C@@H]2C(C)(C)c3cccc4c3[C@]3(O)C(=N4)C(C)(C)[C@@H]4O[C@@H]4[C@@]1(N=C)[C@@]23O 2356517051 VDAJARRRXROUOD-DWCNQFPWSA-N 454.998 4.049 50 1 JIGF CCCCCC[C@@H](C)/C=C(C)/C=C/C(=O)N[C@@H]1CO[C@H]2[C@@H](Cl)C(=O)C(Cl)=C[C@@]2(O)C1 29041884 FOYHOCBUHQKEDQ-HUWMOLIRSA-N 458.426 4.413 50 1 JIGF CS(=O)(=O)c1ccc([C@@]2(CSC#N)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587360498 ODQRMLOEPLQUSO-ISKFKSNPSA-N 483.542 4.403 50 1 JIGF COc1cc2c3c(c1)O[C@@](CBr)([C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O 587412705 JVPQNYGTSGDFFM-DDVAMESESA-N 466.372 4.223 50 1 JIGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)CCN1C(=O)c2ccccc2C1=O 587541702 DCTFYJOLHMCYRE-CPJSRVTESA-N 463.873 4.018 50 1 JIGF CCOC(=O)C[C@]1([C@@H](C)Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587319151 AJFQJDWKOFDCID-ZPDQPEGFSA-N 451.288 4.366 50 1 JIGF CS(=O)(=O)N1CCCc2cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 587608956 UAPIRRDVVLALGS-WIOPSUGQSA-N 499.972 4.200 50 1 JIGF CCCCCC[C@H](C)C=C(C)C=CC(=O)N[C@@H]1C[C@H](OC)O[C@@H]2[C@@H](Cl)C(=O)C(Cl)=C[C@@]21O 2356469147 BQBNTNYXQBYKTD-BILKCCQFSA-N 488.452 4.386 50 1 JIGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@H](C)[C@H](C)C(=O)O)C/C=C\C=C(\C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 169355083 ZYDRORLSVFUCAK-PFGSBXPUSA-N 477.642 4.491 50 1 JIGF COC(=O)c1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587539044 UTJOCLHLBZBMQJ-AUSIDOKSSA-N 469.287 4.431 50 1 JIGF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@](CBr)(c2cscn2)N1 963179270 KBXDWCCYIRVGHQ-SMDDNHRTSA-N 455.683 4.053 50 1 JIGF COc1cccc([C@]2(CBr)N[C@H](C(=O)O)Cc3c(C(F)(F)F)cc(F)cc32)c1F 962690465 AMLUVASMZGVQQZ-KSSFIOAISA-N 480.227 4.230 50 1 JIGF CS(=O)(=O)c1cccc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587610263 XDWQSSBCEXJONZ-KNQAVFIVSA-N 489.343 4.048 50 1 JIGF COc1ccc2c3c1O[C@H]1[C@@]4(OC)C=C[C@@]5(C[C@@H]4[C@@H](C)N=C=S)[C@@H](C2)N(CC2CC2)CC[C@@]315 101617913 CBPASLHMRDUOQC-NTDKESFGSA-N 464.631 4.187 50 1 JIGF CS(=O)(=O)[C@H](Br)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587606614 ILLZCZQDYRCDKW-COPCDDAFSA-N 489.343 4.015 50 1 JIGF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@@](CBr)(c2ccc(C(F)(F)F)cn2)N1 962969329 QGNFKTRSWHHNQQ-BDJLRTHQSA-N 485.634 4.269 50 1 JIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)([C@H](C#N)C(=O)NCc2ccccc2)N1 587687092 FIFCQOVCASTACB-PJUBBZNESA-N 464.766 4.013 50 1 JIGF C[C@]1(c2ccccc2NC(=O)CCCCl)N[C@@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962623278 BEDJGHRXTIJIPM-NQIIRXRSSA-N 470.875 4.405 50 1 JIGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)([C@@H](Cl)C(=O)Nc1ccc3c(c1)OCO3)O2 587372498 LXGXXJNTQBCLBZ-UKILVPOCSA-N 464.905 4.413 50 1 JIGF [C-]#[N+][C@]12[C@H]3O[C@H]3C(C)(C)C3=Nc4cccc5c4[C@]3(O)[C@]1(O)[C@H](C[C@@H](Cl)[C@]2(C)C=C)C5(C)C 85599932 BEUWKFSFCQGVEY-QJQSJIDVSA-N 452.982 4.267 50 3 JIGF COc1cc([C@@]2(CBr)c3cc(OC)c(OC)cc3C[C@H](C)N2C)c(F)cc1O 962640830 RXYXRPBLLGZXGY-LAJNKCICSA-N 454.336 4.072 50 1 JIGF C[C@@](O)(CSc1ccc(NC(=O)CCl)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 13554399 HHSHETLZYRKYOK-LJQANCHMSA-N 471.888 4.236 50 1 JIGF C[C@@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C 195498583 KGHPPTLBPKJSIG-JXSMBQFASA-N 474.722 4.374 50 1 JIGF CN(C)S(=O)(=O)CCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 586932049 UHHHSXQPEYDSHK-UHFFFAOYSA-N 458.272 4.417 50 1 JIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C(=O)CBr)ccc2O)N1 587672898 IRFLDVVDBSIPQI-LZVRBXCZSA-N 457.137 4.495 50 1 JIGF O=c1nc(N2CCOCC2)oc2c(-c3ccc(Cl)cc3)c(OCCBr)ccc12 1772625012 MMRPYFOLAUSDTI-UHFFFAOYSA-N 465.731 4.119 50 1 JIGF COc1ccc2c3c1O[C@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42C=C[C@@]1(OC)[C@@H]([C@H](C)N=C=S)C2 36311355 CBPASLHMRDUOQC-YVFMHFJJSA-N 464.631 4.187 50 1 JIGF CSCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]21C 253636170 VGEUQJLFIRSAFP-NWHZEYNVSA-N 499.044 4.056 50 1 JIGF Nc1c(C(=O)NN=Cc2cc(-c3ccc(F)cc3)nn2-c2ccccc2)cnn1-c1ccccc1 957656334 RMIZDXWWUWRQJP-UHFFFAOYSA-N 465.492 4.210 50 1 JIGF Oc1ccc2c3c1O[C@H]1[C@H](OCc4cccc(N=C=S)c4)CC[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 13740370 HUGRODXDKPWVHV-LIOZKPFLSA-N 490.625 4.276 50 1 JIGF O=C1[C@H](Cl)[C@H](c2ccc(O)cc2)N1c1nnc(CNc2nnc3c4ccccc4nc-3s2)s1 40407266 AUAISBFLBXDEIZ-WBVHZDCISA-N 495.977 4.056 50 1 JIGF CC(C)OC(=O)[C@H](c1ccc2c(c1)OCO2)[C@H](O)[C@@H]1OC(C)(C)O[C@H]1CO[Si](C)(C)C(C)(C)C 195401338 OXKDYDTZSOOLPE-LNRXMEIDSA-N 496.673 4.353 50 1 JIGF COC(=O)[C@H]1[C@@H](c2ccc(I)cc2)C[C@@H]2CC[C@H]1N2CCCBr 13745904 NBDQDRSEYYQZOF-HZMVEIRTSA-N 492.195 4.186 50 1 JIGF COC1=CC(C)=C2O[C@@]3(C[C@]2(OO)C1=O)[C@@H](O)CC[C@@H]1[C@@]2(C)CC[C@H](O)C(C)(C)[C@@H]2CC[C@]13C 42851021 YSWYEMBQVGXRLL-FXPQQULDSA-N 476.610 4.135 50 1 JIGF CCCc1c(O)ccc2c1O[C@](CBr)(CCN1C(=O)c3ccccc3C1=O)CC2=O 587456913 SQSPPSFXTFLFNJ-HSZRJFAPSA-N 472.335 4.130 50 1 JIGF CN(C)S(=O)(=O)c1ccc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587533831 WTKFUTGUMANSPI-QFIPXVFZSA-N 478.408 4.071 50 1 JIGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(C(=O)O)cc2)N1 587672533 GJIDQPKVFFZFEC-YPMLDQLKSA-N 457.137 4.459 50 1 JIGF C[C@@H]1CC(C)(C)N[C@H](C[C@H](O[P@](N)(=O)N(CCCl)CCCl)c2ccccc2)O1 43211884 PDPLMKYBMAZTOG-KLAILUPASA-N 452.363 4.484 50 1 JIGF C=C[C@H](O)[C@H](CCOO[C@@H]1CC[C@]2(C)C(=CCC3=C4O[C@@H]5CO[C@]6(C)OC[C@]4(CC[C@@H]32)[C@@H]56)C1)OC 2356511334 GSUWOLFPOHANSY-XWHOVAQXSA-N 488.621 4.218 50 1 JIGF C[C@H]1Cc2cc([C@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)ccc2N1S(C)(=O)=O 587532389 MHVMWPXKJFCQNV-IZHWHUGBSA-N 459.995 4.376 50 1 JIGF O=Cc1cc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1O 587537508 GNMLNXMOVUEXQP-UGKGYDQZSA-N 455.260 4.162 50 1 JIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cccc(S(C)(=O)=O)c2)N1 587850014 NZDLOUIUMUEQQE-ADLMAVQZSA-N 491.220 4.164 50 1 JIGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2C(N)=O)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 1857627543 IOHLCKBCGGSSCP-HBJZAWFCSA-N 488.669 4.036 50 1 JIGF CC(C)Oc1cccc(-n2c(NNC(=O)Nc3cccc(C#N)c3)nc3ccccc3c2=O)c1 1485757 LLIKHGFZIXHZIO-UHFFFAOYSA-N 454.490 4.193 50 1 JIGF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@]21C(C=O)=C(N)Oc2ccc(Cl)cc21 963863314 SZBQUOWUKDCVPW-WGDIFIGCSA-N 498.963 4.290 50 1 JIGF CC(=O)O[C@@H]1C[C@H](Cl)C=C[C@H](C=C=CBr)O[C@@H](C)[C@H]2O[C@H]1C[C@@H]2Br 2356798284 PBJXAHUANQJORC-SMBOVJACSA-N 484.612 4.244 50 1 JIGF COc1ccc(CCc2cc(O)c(-c3c(OC)cc([C@@H]4OO[C@H]4CO)cc3OC)c(OC)c2)cc1 1857750116 OIVPCVODMRLMRT-IGKIAQTJSA-N 482.529 4.243 50 1 JIGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@H](C)[C@H](C)C(=O)O)C/C=C/C=C(/C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 43552742 ZYDRORLSVFUCAK-JBDBQWLJSA-N 477.642 4.491 50 1 JIGF C=C(NNC(=O)[C@H](C)Oc1ccccc1Cl)c1cccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)c1 253658900 BHHAGUYZEJPNET-FFZOFVMBSA-N 485.968 4.229 50 1 JIGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc3c(c1)CCN3S(=O)(=O)CC)CC2=O 587490531 HNPOSEOAUXJHSA-QHCPKHFHSA-N 463.983 4.156 50 1 JIGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc2c(c1)OCO2 587538643 QVHZEDUHIZJUOD-DENIHFKCSA-N 455.260 4.373 50 1 JIGF COC(=O)c1cc([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1O 587673639 OXBVBDDTBWYKBR-APBUJDDRSA-N 487.163 4.253 50 1 JIGF CS(=O)(=O)/C(C#N)=C/c1cc(Cc2ccc(Cl)c(Cl)c2)ccc1N1CCOCC1 1857613833 DTUKXSHPQIYNSZ-QGOAFFKASA-N 451.375 4.330 50 1 JIGF O=C(CC[P+](c1ccccc1)(c1ccccc1)C1CCCCC1)Nc1ccc2c(c1)B(O)OC2 1911577776 FTPZWKCVIBABBO-UHFFFAOYSA-O 472.354 4.234 50 1 JIGF Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(C(=O)NN)cc2[nH]1 587119234 RLYWUOHIPCWFEM-JTQLQIEISA-N 489.527 4.495 50 1 JIGF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@](CBr)(c2cscn2)N1 963179264 KBXDWCCYIRVGHQ-FZMZJTMJSA-N 455.683 4.053 50 1 JIGF COc1cc([C@@H]2Oc3cc(-c4oc5cc(O)cc(O)c5c(=O)c4O)ccc3O[C@@H]2CCl)ccc1O 72142636 PJPLYQVVXZAQCW-YKSBVNFPSA-N 498.871 4.411 50 1 JIGF CCS(=O)(=O)N1CCc2cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 587608493 RAHZDNUWFOIWSV-WIOPSUGQSA-N 499.972 4.200 50 1 JIGF Oc1ccc2c3c1O[C@@H]1c4[nH]c5ccc(N=C=S)cc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@@]314 100640651 PHACSLSFPGYKLR-HHPVDLARSA-N 471.582 4.307 50 1 JIGF COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4cccc(NC(=O)[C@@H](C)Cl)c41)[C@@H](C2)C3=O 587417446 MNMFGOKBKXWPJN-ZZFGVXKJSA-N 473.912 4.497 50 1 JIGF COc1cc2c(cc1OC)[C@@]1(C[C@@H]2NC(=O)CCl)c2ccsc2CCN1Cc1cccnc1 962994735 LTMKORQEUBTFPE-NBGIEHNGSA-N 484.021 4.262 50 1 JIGF CC(=O)Oc1ccccc1[C@@H]1[C@H](Cl)C(=O)N1NC(=O)Nc1nc2ccc(Cl)cc2s1 1857574280 WMYWHUGWULPZRT-JKSUJKDBSA-N 465.318 4.102 50 1 JIGF COc1ccc(/C=N/NC(=O)Cn2c(CSc3ccccc3)nc3ccccc32)cc1OC 84619104 MLVRTQMCIFUQDB-CVKSISIWSA-N 460.559 4.496 50 1 JIGF O=C1[C@@H](Cl)[C@@]2(C(=O)Nc3c(Br)cc(Br)cc32)N1c1ccccc1 103222525 VXHNXJCKMPBQSD-CJNGLKHVSA-N 456.521 4.013 50 1 JIGF CC(=O)N(C)Cc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587542557 HMCODGIRFVUAIG-WIOPSUGQSA-N 451.906 4.466 50 1 JIGF C[C@@H]1CC(C)(C)N[C@H](C[C@@H](O[P@@](N)(=O)N(CCCl)CCCl)c2ccccc2)O1 3917656 PDPLMKYBMAZTOG-NHPLNNPKSA-N 452.363 4.484 50 1 JIGF C[C@H](C(=O)N/N=C1\C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccc(O)c(Br)c1 72178558 UTXXURUDIFTYDY-ZETCQYMHSA-N 457.111 4.038 50 1 JIGF CCN(c1ccc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1)S(C)(=O)=O 587842292 UDEHLSGJSRIPCH-RNODOKPDSA-N 489.838 4.391 50 1 JIGF Cc1[nH]nc2c1[C@@](c1cc(-c3cccn(C)c3=O)cc(C(F)(F)F)c1)(C(C)C)C(C#N)=C(N)O2 1772651840 NZRPFJSEJLYPLP-HSZRJFAPSA-N 469.467 4.131 50 1 JIGF CC(C)Oc1cccc(-n2c(NNC(=O)Nc3cccc(C(=O)O)c3)nc3ccccc3c2=O)c1 13779123 DNBMHPLTVYEDEA-UHFFFAOYSA-N 473.489 4.020 50 1 JIGF CN(C)CCOc1ccc(/C=C/C(=O)N2C[C@@H](CCl)c3c2cc(O)c2ncccc32)cc1 34243446 PEUBWYDFDULAOF-RUJXFNLJSA-N 451.954 4.263 50 1 JIGF O=C1[C@H](Cl)[C@]2(C(=O)Nc3c(Br)cc(Br)cc32)N1c1ccccc1 103222516 VXHNXJCKMPBQSD-XJKSGUPXSA-N 456.521 4.013 50 1 JIGF CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](O[Si](C)(C)C(C)(C)C)/C1=C/C#N 195356685 BKTNMVOFLGEWND-SLQVQPRRSA-N 493.753 4.296 50 1 JIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc3c(c2)NC(=O)[C@@H](C)O3)N1 587672558 GLKPDHDLDBENHX-SUTOTMHJSA-N 498.190 4.480 50 1 JIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H](Cc2ccccc2)NC(=O)CCl)N1 587685858 RVBWIYOJIFERPC-YIILKADPSA-N 453.783 4.304 50 1 JIGF COc1cc([C@@H]2C(C#N)=C(N)Oc3c2ccc2cnccc32)cc(I)c1OC 40587746 HQHCJFPMHAOCDZ-SFHVURJKSA-N 485.281 4.075 50 1 JIGF COc1cc(/C=N\NC(=O)c2ccccc2OCCOc2ccccc2)cc(Br)c1O 49832442 YXCQTBVDZNMQCW-MYYYXRDXSA-N 485.334 4.385 50 1 JIGF CCC(Br)=CCC[C@H](O)[C@H](Br)[C@@H]1O[C@H](C=C=CBr)C[C@@H]1O 2356760060 BBVRCKWMJJUCDA-CUSWGACESA-N 489.042 4.162 50 1 JIGF CS(=O)(=O)c1ccc(-c2[nH]c3ccccc3c2[C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1 103208296 ABHFXOJFFVMHIR-OAQYLSRUSA-N 459.527 4.053 50 1 JIGF CCC(Br)=CCC[C@H](O)[C@H](Br)[C@@H]1O[C@@H](C=C=CBr)C[C@H]1O 2356760065 BBVRCKWMJJUCDA-PFMYJXNGSA-N 489.042 4.162 50 1 JIGF CN[C@@H]1[C@@H]2[C@H](CC[C@]1(C)O)[C@](C)(N=C=S)CC[C@@H]2[C@@]1(C)CC[C@@H](C(C)(C)N=C=S)O1 2356874052 YSAVASQYXJXTPS-KIPTXZGASA-N 451.702 4.442 50 1 JIGF C[C@H](S[C@H](C)C(=O)N/N=C/c1cccc(Cl)c1)C(=O)N/N=C/c1cccc(Cl)c1 17314946 RDHHPZFEIPDNPL-SDTMWHLTSA-N 451.379 4.104 50 1 JIGF O=C(O)[C@@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@@](CBr)(c2ccnc(Cl)c2F)N1 962699936 DXZAUUFRUKQVCS-BLLLJJGKSA-N 485.634 4.269 50 1 JIGF COCCOc1nc(-c2cccc(NC(=O)CCl)c2)n(-c2ccc(Cl)c(Cl)c2)n1 1857753081 BELCKDFGAYCIFC-UHFFFAOYSA-N 455.729 4.444 50 1 JIGF CN1C(=O)CC[C@@]2(C)[C@@H]1CC[C@@H]1[C@H]3CC[C@@](O)(C#CCCI)[C@@]3(C)CC[C@H]12 26007267 MVORGJNGNGLACY-DJAYXGLKSA-N 483.434 4.409 50 1 JIGF O=C(CBr)c1ccc(O)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587537464 FRXJMQMLAXQPII-DENIHFKCSA-N 455.260 4.378 50 1 JIGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2C(N)=O)C/C=C/C=C(/C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 653700703 IOHLCKBCGGSSCP-UGKRXNSESA-N 488.669 4.036 50 1 JIGF C[C@]1(c2cc3c(cc2NC(=O)CCl)OCO3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587545614 RTRHMFJNPXGGFP-ZJSXRUAMSA-N 467.861 4.175 50 1 JIGF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@](CBr)(c2ccc(Cl)cc2Br)N1 962905253 ZEHBYPNDRUUWMN-WMLDXEAASA-N 477.555 4.479 50 1 JIGF CC(=O)Oc1ccccc1[C@H]1[C@@H](Cl)C(=O)N1NC(=O)Nc1nc2ccc(Cl)cc2s1 1857574277 WMYWHUGWULPZRT-CVEARBPZSA-N 465.318 4.102 50 1 JIGF Oc1ccc2c3c1O[C@H]1c4[nH]c5cccc(N=C=S)c5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 13651050 STPBFHDXZHEIEM-BQRPEJFJSA-N 471.582 4.307 50 1 JIGF COc1ccc(/C(=C\c2cnn(-c3ccccc3)c2)C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1 40876855 XFQGKXRPWGAZEF-BMBVXPEGSA-N 467.485 4.480 50 1 JIGF C[C@H](Cl)C(=O)N(C)Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 587883889 CLMPLQIWBJAKRK-HNNXBMFYSA-N 451.781 4.290 50 1 JIGF COc1cccc(CCc2cc(O)c(-c3c(OC)cc([C@H]4OO[C@@H]4CO)cc3OC)c(OC)c2)c1 2356489732 HVCTXCDEFSHFMW-SHQCIBLASA-N 482.529 4.243 50 1 JIGF C[C@H](CSSCCN(C)C)C(=O)N1CCC[C@H]1C(=O)NCCc1ccc(Cl)c(Cl)c1 618018340 XXDJJKMDBKFRHB-BEFAXECRSA-N 492.538 4.222 50 1 JIGF Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NCCNC(=O)CCCC[C@H]1CCSS1)O2 27427560 NEBNYACSMLWNQA-MHECFPHRSA-N 480.696 4.348 50 1 JIGF COC(=O)c1cc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1O 587537985 MDYVQCCICHPIEA-XXBNENTESA-N 485.286 4.136 50 1 JIGF COc1cccc([C@@]2(CBr)N[C@@H](C(=O)O)Cc3c(C(F)(F)F)cc(F)cc32)c1F 962690466 AMLUVASMZGVQQZ-RDTXWAMCSA-N 480.227 4.230 50 1 JIGF [C-]#[N+]/C(=C/c1ccc(Nc2cnc3[nH]cc(C(=O)C(C)(C)C)c3n2)cc1)C(=O)N1CCOCC1 1772579109 ZGUAXFSEQCRLNU-CPNJWEJPSA-N 458.522 4.049 50 1 JIGF CC1(C)[C@H](Br)CC[C@@]1(C)C1=C[C@@]2(O)[C@@](C)(O)CC[C@H](Br)[C@]2(C)C[C@@H]1O 2356804696 ZKACUMSBFTZPBU-OMAJZLRHSA-N 480.281 4.313 50 1 JIGF CC(C)Oc1cccc(-n2c(NNC(=O)Nc3cccc([N+](=O)[O-])c3)nc3ccccc3c2=O)c1 13779130 KJDRECLCFOSTBP-UHFFFAOYSA-N 474.477 4.230 50 1 JIGF O=C1c2ccc(O)cc2O[C@](CCl)([C@@H]2CCCN2C(=O)C(F)(F)F)[C@H]1c1ccc(F)cc1 587326544 CFMMRMCVJQKSHX-BBTUJRGHSA-N 471.834 4.421 50 1 JIGF CCCc1c(O)ccc2c1O[C@@](C)(c1c(C)oc(NC(=O)CCl)c1C(=O)OCC)CC2=O 587461207 QZLDBNVGVCTQCA-HSZRJFAPSA-N 463.914 4.481 50 1 JIGF O=C(CCl)NC[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587544337 NSNBLBKEJWJCKR-NFBKMPQASA-N 458.297 4.258 50 1 JIGF C[C@]12CC[C@@H]3[C@]4(C=C[C@]5(C[C@@H](O)CC[C@]35C)OO4)[C@@H]1CC/C2=N\OCC(=O)Nc1ccccc1 1772594350 WZXIMKDLWSHRBY-HYWGWMLJSA-N 466.578 4.384 50 1 JIGF NNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1cccc(F)c1)[C@H](c1ccccc1)CCC3 28354325 LTNLYAJFXVUNRF-KRWDZBQOSA-N 480.590 4.137 50 1 JIGF O=C([C@H]1Cc2ccccc2[C@](CBr)(c2cc(Br)ccc2O)N1)C(F)(F)F 962769681 SYDAZUSWOWJVCH-RHSMWYFYSA-N 493.117 4.439 50 1 JIGF CC1=C(CCCl)C(=O)N2CCC[C@]3(Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)[C@@H]2N1 587327778 RPJXGRFFBRPYEF-FTBPSBKWSA-N 470.928 4.084 50 1 JIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1cc(C#N)c(O)nc1CC[C@@H]2Br 587681971 LZDVBPJZWNDCQG-AEHJZCBRSA-N 481.163 4.048 50 1 JIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2cn(-c3ccc(F)cc3)nn2)N1 587737453 ZWWCTWGFDUSHRI-NSPYISDASA-N 453.718 4.325 50 1 JIGF COc1cc(N[C@@H](C)CCCNC(=O)NNC(=O)/C(C)=C/c2ccccc2)c2ncccc2c1 1857749385 MYYHOSTYPKECEH-DGDHUYAWSA-N 461.566 4.258 50 1 JIGF COc1ccc(/C=C/C(=O)Oc2cccc(/C=N/NC(=O)COc3c(C)cccc3C)c2)cc1 881037 YMVADLKWDLGEFH-CYRBGHQMSA-N 458.514 4.460 50 3 JIGF CN1CCCN(C(=O)c2ccccc2SSc2ccccc2C(=O)N2CCCN(C)CC2)CC1 29474648 UJDUPFZBBGRXMA-UHFFFAOYSA-N 498.718 4.041 50 1 JIGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H](C[C@H](C)C(=O)O)C/C=C/C=C(/C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 35974185 RLHYVCYVLRHHCK-WCTXXJDTSA-N 463.615 4.245 50 1 JIGF CC(=O)OCC(=O)N(/N=N/c1ccc([N+](=O)[O-])cc1Cl)c1ccc([N+](=O)[O-])cc1Cl 72177395 OJJUPAQQGJBQFT-FMQUCBEESA-N 456.198 4.405 50 1 JIGF C=C[C@@]1(C)[C@H](Cl)C[C@@H]2C(C)(C)c3cccc4c3[C@@]3(O)C(=N4)C(C)(C)[C@@H]4O[C@@H]4[C@@]1(N=C)[C@@]23O 238752259 VDAJARRRXROUOD-QJQSJIDVSA-N 454.998 4.049 50 1 JIGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc3c(cc2NC(=O)CCl)OCO3)N1 587685932 SCZGMFSEUMJVPN-WVDJIFEKSA-N 469.738 4.292 50 1 JIGF O=C(Cc1csc2nc(-c3ccc(Br)cc3)cn12)N/N=C/c1ccccc1O 28708069 PPYOMIZROUIMHR-LSHDLFTRSA-N 455.337 4.224 50 1 JIGF CC(=O)N1CCc2sc([C@@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2C1 587617778 KYLRPUCYFRRTMG-XUZZJYLKSA-N 469.946 4.454 50 1 JIGF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C(=O)CBr)ccc2O)N1 587672900 IRFLDVVDBSIPQI-YYSFKGJASA-N 457.137 4.495 50 1 JIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc3c(c2)OCO3)N1 587673840 QRONCZGVFHFXRB-MLCYQJTMSA-N 457.137 4.490 50 1 JIGF COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)cc1 1857544114 KXKLJBTWHLPRRV-LQKURTRISA-N 486.528 4.338 50 1 JIGF CCCCCC[C@H](C)C=C(C)C=CC(=O)N[C@@H]1CO[C@@H]2[C@@H](Cl)C(=O)C(Cl)=C[C@@]2(O)C1 2356604746 FOYHOCBUHQKEDQ-LTRIRRGNSA-N 458.426 4.413 50 1 JIGF Oc1ccc2c3c1O[C@H]1c4[nH]c5ccc(N=C=S)cc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@@]314 100640653 PHACSLSFPGYKLR-CNVJREJJSA-N 471.582 4.307 50 1 JIGF O=C(NCC(=O)N1c2ccccc2Sc2ccccc21)NN1C(=O)[C@@H](Cl)[C@H]1c1cccc(F)c1 103199300 JBZJYYAHDSYYCF-FCHUYYIVSA-N 496.951 4.360 50 1 JIGF N#C[C@H](C(=O)NCc1ccccc1)[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587324238 PTUVQTWDAHRQGZ-WHSBFGAESA-N 478.907 4.324 50 1 JIGF CN(c1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1)S(C)(=O)=O 587369766 OOTGMTOXYAYLIZ-VWNXMTODSA-N 489.952 4.420 50 1 JIGF Nc1c(C(=O)NN=Cc2cc(-c3cccs3)nn2-c2ccccc2)cnn1-c1ccccc1 958585555 ZVGXRXBBKPJLHL-UHFFFAOYSA-N 453.531 4.133 50 1 JIGF Cc1ccc([C@H]2C(C#N)=C(N)OC(c3ccccn3)=C2[S@@](=O)c2ccc([N+](=O)[O-])cc2)cc1 1857761344 ABBPLEQTDNOEFA-VTLMBFNKSA-N 458.499 4.283 50 1 JIGF CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@H](SSc2ccc([N+](=O)[O-])cn2)CC[C@@H]3[C@@H]1C5 100792953 RAEKUJQUZFRYFZ-SJNSSOCISA-N 457.577 4.174 50 1 JIGF COc1cc2c3c(c1)O[C@@](CCl)(c1ccc4c(c1)CCN(C(=O)C(F)(F)F)C4)[C@@H](C2)C3=O 587419464 GFYWSZHDIHQRPC-JTSKRJEESA-N 465.855 4.024 50 1 JIGF O=C1C[C@](CCl)(c2ccc(CC(=O)N3CCOCC3)s2)Oc2c1ccc1c2CCCC1 587532220 OWUWGWNGEFPERV-DEOSSOPVSA-N 459.995 4.128 50 1 JIGF Cc1cc(Br)cc(C(=O)NNCc2ccccc2)c1NC(=O)C(C)(C)CCl 103208665 FXDVTFJANUHXCJ-UHFFFAOYSA-N 452.780 4.396 50 1 JIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CN(C(=O)OC(C)(C)C)C[C@@H]2Br)N1 587679496 GGQVCSQSFVVQOV-XODWSEBVSA-N 478.200 4.332 50 1 JIGF C[C@@H]1CC(C)(C)N[C@H](C[C@H](O[P@@](N)(=O)N(CCCl)CCCl)c2ccccc2)O1 299812703 PDPLMKYBMAZTOG-RYKFNTEDSA-N 452.363 4.484 50 1 JIGF CS[C@H](C[C@@H]1C/C=C\C=C(\C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O1)C(=O)O 169355148 FKJWSHZWLPGKEH-UDAOUWKRSA-N 495.682 4.341 50 1 JIGF CN1CCN(CC(=O)N2c3cc(CO[Si](C)(C)C(C)(C)C)ccc3C(=O)Nc3cccnc32)CC1 169964488 YNNOCMHREAIPCG-UHFFFAOYSA-N 495.700 4.081 50 1 JIGF COC(=O)C(C)(C)[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587322504 MUZQFJYDHPOAIR-UTKZUKDTSA-N 451.288 4.223 50 1 JIGF O=C(O)C[C@H](Br)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587537356 DGJFIRUILAYCNB-GREBRCKQSA-N 469.287 4.488 50 1 JIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CN(C(=O)OC(C)(C)C)C[C@H]2Br)N1 587679490 GGQVCSQSFVVQOV-QEIWDELWSA-N 478.200 4.332 50 1 JIGF CC(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1Oc1ccc(-c2nc3cc(C(N)=O)ccc3[nH]2)cc1 1857633339 RVYVJCCNRXPPPV-WKULSOCRSA-N 493.527 4.085 50 1 JIGF C/C(NNC(=O)c1cccc(C(=O)O)c1)=C1/C(=O)N(c2ccc3c(c2)CCC3)c2ccc(F)cc21 58581875 QXQYVYDQOSQJHJ-IWIPYMOSSA-N 471.488 4.357 50 1 JIGF CN(C)S(=O)(=O)c1ccc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587533828 WTKFUTGUMANSPI-JOCHJYFZSA-N 478.408 4.071 50 1 JIGF C[C@@H]1CC[C@@H]2[C@@H](C)[C@@H](OCc3ccc(CN4CCOCC4)cc3)O[C@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 43911332 GMFYZQUJZWTJSP-FCWMQBQOSA-N 473.610 4.243 50 1 JIGF CCCc1c(O)ccc2c1O[C@](CCl)([C@H](C#N)C(=O)NCc1ccc(Cl)cc1)CC2=O 587457855 COZYYKYTDPZNIC-WZONZLPQSA-N 461.345 4.397 50 1 JIGF O=C(CCCCl)Nc1ccc(S(=O)(=O)Oc2ccccc2I)cc1 1857775255 IPGBUKCWFGOQRZ-UHFFFAOYSA-N 479.723 4.016 50 1 JIGF Cc1cc(Br)cc(C(=O)NNCc2ccc(Cl)nc2)c1NC(=O)C(C)(C)C 103208669 ISSMODXCKWBAOX-UHFFFAOYSA-N 453.768 4.225 50 1 JIGF Cc1cc(Br)cc(C(=O)NNCc2ccc(Cl)nc2)c1NC(=O)C(C)(C)CCl 103210168 CSAWBBTUTLVMTF-UHFFFAOYSA-N 488.213 4.444 50 1 JIGF C=C1CC[C@@H]2C([C@@H](OC(C)=O)[C@H](C=C(C)C)OC(C)=O)=CO[C@H](OC(C)=O)[C@H]2C(=C)CC[C@@H]1OO 71330035 HVAHZTRJIMZNBH-GHBIRHKFSA-N 492.565 4.396 50 1 JIGF Cc1nn(-c2ccccc2)c2c1[C@H](c1c(C)nn(-c3ccccc3)c1-n1ccnc1)C(C#N)=C(N)O2 1857604932 PDKHIHNUQIOOAS-DEOSSOPVSA-N 474.528 4.079 50 1 JIGF C/C1=C/C2=C[C@H](C)C[C@]2(Br)C(=O)[C@@]2(C)O[C@@H]([C@@H](Br)C1=O)C(C)(C)CC2=O 103146615 LPAIOUHOGJWURF-FPERZXILSA-N 488.216 4.091 50 1 JIGF COc1ccc(/C=N/NC(=O)c2ccc(-c3nnc(-c4ccc5ncccc5c4)o3)cc2)c(O)c1 653714221 BOTAUVSSABDGHN-RWPZCVJISA-N 465.469 4.430 50 1 JIGF CCCCOc1ccc([C@@H]2[C@@H]3CN(C(=O)OCC)CCC3=C(C#N)C(=N)C2(C#N)C#N)cc1OC 169686635 RUCBDRKYNSRUEO-NFBKMPQASA-N 475.549 4.323 50 1 JIGF COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(C(=O)CBr)cc1OC 587874871 JFNNVXCZAGFPOZ-UHFFFAOYSA-N 499.188 4.299 50 1 JIGF CC(C)Cc1ccc([C@H](C)C(=O)Oc2cc(O/N=[N+](\[O-])N(C)C)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1 44156898 WDXFVFFRFUKIDX-OEFZRUIQSA-N 475.458 4.144 50 1 JIGF COC(=O)[C@H]1[C@@H](c2ccc(I)cc2)C[C@@H]2CC[C@@H]1N2CCCBr 148242303 NBDQDRSEYYQZOF-YVSFHVDLSA-N 492.195 4.186 50 1 JIGF CC(=O)N1CCc2c(sc(NC(=O)[C@H](C)Br)c2C(=O)c2ccccc2Cl)C1 13442666 XMZMVWOWQFMIKI-JTQLQIEISA-N 469.788 4.259 50 1 JIGF Cc1ccc([C@@H]2[C@@H](Cl)C(=O)N2NC(=O)c2c[nH]c3c(ccc4nc(Cl)cc(C)c43)c2=O)cc1 103211590 SZMRBINSRJXJQD-TZIWHRDSSA-N 481.339 4.182 50 1 JIGF CC(=O)O[C@@H]1C[C@](C)(Cl)[C@H](Br)C[C@@H]1[C@]1(C)OC(C)(C)[C@H](Br)C[C@H]1O 2356580356 TXUIEJDHDWIUIB-OMMDLMMSSA-N 490.660 4.171 50 1 JIGF COc1cc(-c2[nH]nc3c2[C@@H](c2ccccc2Br)C(C#N)=C(N)O3)cc(OC)c1OC 4008408 HPKDUETYLUEMAJ-KRWDZBQOSA-N 483.322 4.083 50 1 JIGF C=C(NNC(=O)[C@H](C)Oc1ccccc1Cl)c1cccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)c1 253658904 BHHAGUYZEJPNET-PWIZWCRZSA-N 485.968 4.229 50 1 JIGF COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccc(CCl)o3)nc(N)c2cc1OC 13782109 PFKANRGJRNXBLW-UHFFFAOYSA-N 490.004 4.330 50 1 JIGF CCN(c1ccc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1)S(C)(=O)=O 587839674 HVLJVBBFVFHHPX-ZUOKHONESA-N 489.838 4.391 50 1 JIGF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@](CBr)(c2cscn2)N1 963179268 KBXDWCCYIRVGHQ-RISCZKNCSA-N 455.683 4.053 50 1 JIGF O=c1nc2oc(CCCCl)c(C#CCCCCl)c2cn1Cc1cn(Cc2ccccc2)nn1 1772576553 GBECVYOXDGYVIE-UHFFFAOYSA-N 484.387 4.220 50 1 JIGF C[C@]12CCSSC[C@H](N=C(N)N)CCCC3=C4C[C@H]1CC[C@@H](CCCCO)[C@@]42CC3=O 85549558 QGUBUYXZODWBNX-KCWNILAYSA-N 465.729 4.438 50 1 JIGF biogenic,in-vitro Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc([N+](=O)[O-])cc1)(C(Br)Br)O2 587376642 XUCMNHXAVHCRHD-KRWDZBQOSA-N 470.117 4.462 50 1 JIGF CCOC(=O)/C(C#N)=C/[C@@H](C(=O)N1c2ccccc2Sc2ccccc21)[n+]1ccc(OC)cc1 95593061 UWFLKHATQNJOEL-BKELBIJQSA-N 472.546 4.366 50 1 JIGF O=C1[C@H](Cl)[C@@]2(C(=O)Nc3c(Br)cc(Br)cc32)N1c1ccccc1 103222521 VXHNXJCKMPBQSD-BBRMVZONSA-N 456.521 4.013 50 1 JIGF NS(=O)(=O)c1ccc(NC(=O)OCCCCc2ccc(N(CCCl)CCCl)cc2)cc1 1772616088 RLLRNUKWHGJIBH-UHFFFAOYSA-N 488.437 4.189 50 1 JIGF CCCCCC[C@H](C)C=C(C)C=CC(=O)N[C@@H]1C[C@]2(O)C=C(Cl)C(=O)[C@H](Cl)[C@@H]2O[C@@H]1OC 2356665332 BZCAAMLTKGWGQU-PJHHNRNUSA-N 488.452 4.386 50 1 JIGF CCOC(=O)O[C@H]1C=C[C@@]2(CCN(C)C(=O)OCC)c3c(CCl)ccc(OC)c3O[C@H]2C1 13535617 DKZNEJDFZZCYJL-CEXJFXJFSA-N 467.946 4.413 50 1 JIGF C[C@H](CC(=O)N(C)[C@@H]1C[C@H](CCl)[C@H]2CC[C@@H](c3nccs3)N2C1=O)C(Cl)Cl 2356796701 NLJRRIAWGZFANL-XGFWRYKXSA-N 452.835 4.091 50 1 JIGF N#CC1=C(N)[N+](c2ccc(S(N)(=O)=O)cc2)=C2CCCC[C-]2[C@@H]1c1ccc(Cl)c(Cl)c1 55837532 YKLNSKIPIKYNJV-NRFANRHFSA-N 475.401 4.366 50 1 JIGF C[C@]12C=C3C(=O)O[C@H](c4ccccc4Br)C[C@@]3(OO1)O[C@@H]2c1ccc([N+](=O)[O-])cc1 96934089 RHPHEJQZMPXNFE-ZSXPUABSSA-N 474.263 4.460 50 1 JIGF Fc1cc(Br)cc(F)c1[C@]1(CBr)NCCc2nc3ccccn3c21 962991438 VZOYXOZZGWGXTA-KRWDZBQOSA-N 457.116 4.159 50 1 JIGF O=C(CCCCCCC(=O)Nc1ccccc1O)N/N=C/c1cc2c(cc1Br)OCO2 95808521 QHYAPZMBKRBZQU-ZMOGYAJESA-N 490.354 4.313 50 1 JIGF C[C@]1(c2ccc(N3CCN(C(=O)CCl)CC3)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587506817 PPUGUMFYGHNURC-AREMUKBSSA-N 470.972 4.473 50 1 JIGF CC(=O)NCCc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1F 587722243 XOXYJPHXNRJZFW-QKVFXAPYSA-N 471.773 4.423 50 1 JIGF O=C(N/N=C/c1ccc(Br)cc1O)c1cccc(Br)c1Br 1857620425 UADKBFDSYDWZDR-CNHKJKLMSA-N 476.950 4.444 50 1 JIGF CCCCn1nc(C(C)(C)C)s/c1=N/C(=O)c1cc(C(F)(F)F)ccc1NNC(=O)OC 113477867 WRBFBOQBYBHTHY-JJIBRWJFSA-N 473.521 4.485 50 1 JIGF Cc1ncc([N+](=O)[O-])n1CC(=O)N/N=C/c1cc2ccccc2nc1Oc1ccc(Cl)cc1 169307233 ZUENTARNBSSDPX-OPEKNORGSA-N 464.869 4.244 50 1 JIGF C[C@H](Cl)[C@@]1(c2ccc3c(c2)NC(=O)CO3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587544907 PNPFRXYBNXVVMZ-ARBTULSASA-N 451.862 4.208 50 1 JIGF COC(=O)CCCn1c(C)cc([C@@]2(CCl)c3c(ccc(OC)c3OC)C[C@H](C)N2C)c1C 962644587 YWFUQMRBDLEUEF-LMKMVOKYSA-N 463.018 4.434 50 1 JIGF O=C(CCCC[C@H]1CCSS1)NCc1cn(CCCOc2ccc3ccc(=O)oc3c2)nn1 1857750170 AJCVYRGAUVGZMJ-FQEVSTJZSA-N 488.635 4.184 50 1 JIGF CN[C@@H]1[C@@H]2[C@H](CC[C@]1(C)O)[C@](C)(N=C=S)CC[C@@H]2[C@@]1(C)CC[C@H](C(C)(C)N=C=S)O1 2356874051 YSAVASQYXJXTPS-CDRNLTESSA-N 451.702 4.442 50 1 JIGF CN(C)CCOc1ccc2[nH]c(C(=O)N3C[C@@H](CCl)c4c3cc(O)c3ncccc43)cc2c1 38408227 DAHJJTVBLCJXEM-MRXNPFEDSA-N 464.953 4.345 50 1 JIGF O=C(CSc1ncccn1)N/N=c1/scc(-c2ccc(Cl)cc2)n1-c1ccccc1 103238677 QWYRTBHMWYPOQV-YYADALCUSA-N 453.980 4.373 50 1 JIGF C[C@@H]1[C@@H](CO)C[C@H]2CC3=C4CCC[C@]5(CCNC(=N)N5)CSSCC[C@@]2(C)[C@]31CC4=O 2356774566 ARLRMZJBOIITDX-CWTDFWKESA-N 463.713 4.129 50 1 JIGF COc1nc(OC)c(Br)c(P(=O)(c2ccccc2)c2ccccc2)c1Br 49872256 CXHZJRKXYDXKMF-UHFFFAOYSA-N 497.123 4.263 50 1 JIGF CN1C(=O)C[C@@H]2CN[C@@](CBr)(c3ccc(Br)cc3F)c3cccc1c32 963021631 GZWHOVJHGBXUIW-WYRIXSBYSA-N 468.164 4.280 50 1 JIGF CCc1nnc(NC(=O)/C(C#N)=C/c2ccc(OCCOc3c(C)cccc3C)c(OC)c2)o1 13584646 GMBVVPSXRBBTLZ-CPNJWEJPSA-N 462.506 4.261 50 1 JIGF COC(=O)c1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587539045 UTJOCLHLBZBMQJ-CVDCTZTESA-N 469.287 4.431 50 1 JIGF Cc1ccc(S(=O)(=O)C[C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587850831 SMUAESPJKKRHIS-YJYMSZOUSA-N 460.796 4.339 50 1 JIGF COc1ccc2c(c1OC)[C@](CBr)(c1ccco1)N(C(=O)c1ccccc1N)CC2 963140040 MAMILYNMEUCPSM-QHCPKHFHSA-N 471.351 4.216 50 1 JIGF C=C[C@H](O)[C@H](CCOO[C@@H]1CC[C@]2(C)C(=CCC3=C4O[C@@H]5CO[C@]6(C)OC[C@]4(CC[C@H]32)[C@H]56)C1)OC 2356511332 GSUWOLFPOHANSY-MSSOYAOHSA-N 488.621 4.218 50 1 JIGF Cc1ccccc1N1C(=O)[C@H](Cl)[C@]12C(=O)Nc1c(Br)cc(Br)cc12 103222475 XACVYHKHKIKAHI-WMLDXEAASA-N 470.548 4.322 50 1 JIGF C[C@@H]1CC[C@H]2[C@@H](C)C(=O)N(NC(=O)CC34CC5CC(CC(C5)C3)C4)[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 169308367 XPCVCNLOGHISGX-MZHRMMDQSA-N 472.626 4.318 50 1 JIGF C[C@@H](c1nc2ccc(C(=O)NN)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 587200270 WPFOMOWQROIGLW-HNNXBMFYSA-N 455.518 4.108 50 1 JIGF COc1cc2c3c(c1)O[C@](CBr)(c1ccc(I)cc1)[C@@H](C2)C3=O 587428962 RMFBUFTZODIOKO-KBXCAEBGSA-N 485.115 4.338 50 1 JIGF C=CCOC(=O)C1=C(CCC[C@@H](C)O[Si](C)(C)C(C)(C)C)NC(=N)N2[C@H](CCO)CC[C@@H]12 195418944 YRFHCYWAYOFDSV-HBFSDRIKSA-N 465.711 4.304 50 1 JIGF CN1Cc2cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc2NC1=O 587541846 DLWFXEZORPYWDK-HYBUGGRVSA-N 450.878 4.465 50 1 JIGF CC(=O)N1CCc2sc([C@@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2C1 587617781 KYLRPUCYFRRTMG-ZJSXRUAMSA-N 469.946 4.454 50 1 JIGF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@H](c2sc(=O)n(CCCl)c2Cl)N1 963189883 VZAJRIALMYTQNM-WDEREUQCSA-N 475.703 4.163 50 1 JIGF CC(C)(C)[C@]1(CNC(=O)CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587323621 SATKWFDRGRCINX-SIKLNZKXSA-N 464.331 4.186 50 1 JIGF O=C1c2ccc(O)cc2O[C@](CCl)([C@H]2CCCN2C(=O)C(F)(F)F)[C@@H]1c1ccc(F)cc1 587326558 CFMMRMCVJQKSHX-DBXWQHBBSA-N 471.834 4.421 50 1 JIGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1nc[nH]n1 587689328 RUMPPMYJCPGERH-APBUJDDRSA-N 452.759 4.130 50 1 JIGF O=C(c1ccc(C2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)cc1)N1CCNCC1 1857631433 FRVMVGCSKZDMKA-UHFFFAOYSA-N 468.594 4.148 50 1 JIGF COc1ccc(C(=O)NNC(=O)c2ccc3c(c2)CO[C@@]3(CCCN(C)C)c2ccc(F)cc2)cc1 1857755363 WOTJUFUZFZTDMO-NDEPHWFRSA-N 491.563 4.025 50 1 JIGF NC(=O)CCc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587324801 AAKNJODVVWWOCD-ZCYQVOJMSA-N 453.897 4.442 50 1 JIGF COc1cccc2cc3c(nc12)[C@](CBr)(c1cc2c(cc1F)NC(=O)CC2)NCC3 963054287 ICLZHKDFOMPXDD-QHCPKHFHSA-N 470.342 4.051 50 1 JIGF COC(=O)c1ccc([C@@]2(C(Br)Br)CC(=O)c3cc(C)cc(N)c3O2)s1 587409765 JJFRIGFAKVDYKG-QGZVFWFLSA-N 489.185 4.402 50 1 JIGF Cc1cc([C@]2(CCl)N[C@@H](C(=O)O)Cc3c(C(F)(F)F)cc(F)cc32)c(C)n1-c1ccon1 962714817 VWLNQBYAPSFXDW-XLIONFOSSA-N 471.838 4.321 50 1 JIGF O=C(N/N=C/c1cc(Br)c(O)c(Br)c1O)c1ccc(-c2ccncc2)cc1 95591834 VLDWCHYJSFJMFM-AUEPDCJTSA-N 491.139 4.449 50 1 JIGF O=C(NCC(=O)N1c2ccccc2Sc2ccccc21)NN1C(=O)[C@H](Cl)[C@H]1c1cccc(F)c1 103199305 JBZJYYAHDSYYCF-FGZHOGPDSA-N 496.951 4.360 50 1 JIGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1nc[nH]n1 587689544 UFWGPWGDCSOIOD-GIGQVBGESA-N 452.759 4.130 50 1 JIGF Cc1nc(N(C)C(=O)NC(=O)c2c(F)cccc2F)sc1C(=O)N/N=C/c1ccc(Cl)cc1 653884748 HFYJCXRRSGXCST-KIBLKLHPSA-N 491.907 4.133 50 1 JIGF COc1ccc(/C=N/N(C(=O)c2cccnc2)C(=O)c2ccccc2Br)cc1OC 66251866 OHMDGPFMNMXBHQ-DHRITJCHSA-N 468.307 4.178 50 1 JIGF COC(=O)[C@@H]1C[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC(=C(C)C)C1=O 196925906 JKCQDUKWBXUIQR-GBXCKJPGSA-N 450.651 4.420 50 1 JIGF CS(=O)(=O)Nc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587371127 ZXHRVWNZOGFFQB-JTHBVZDNSA-N 475.925 4.396 50 1 JIGF CN1C(=O)C=C[C@@]2(C)[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@@]2(O)C#CCCI 26002642 QSOSGQIELFNFDC-DJAYXGLKSA-N 481.418 4.185 50 1 JIGF CC(=O)Oc1ccc2ccccc2c1/C=N/N(C(C)=O)C(=O)CCn1c(C)nc2ccccc21 96929702 KHLLYLKTBPAJJN-JVWAILMASA-N 456.502 4.223 50 1 JIGF Oc1ccc2c3c1O[C@@H]1c4[nH]c5c(N=C=S)cccc5c4C[C@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 253641759 STOXPPZNSYPOHZ-UBQPIHBDSA-N 471.582 4.307 50 1 JIGF COC(=O)C(C)(C)c1ccc([C@]2(CCCCl)N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)cc1 963529750 XJCRFWSAIOOXML-DFBJGRDBSA-N 459.970 4.013 50 1 JIGF C[C@@H]1[C@H](OC(=O)CCC(=O)NCC2CCCCC2)O[C@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@H]1[C@@]24OO3 504699979 YTHIOLCNKYTWGD-VDMKKTTKSA-N 479.614 4.214 50 1 JIGF biogenic CCCCCCC[C@@H](CC1=C(/C=C/CCC/C=C\CO)C(=O)OC1=O)C1=C(C)C(=O)OC1=O 1857551350 STOJXMXLBFQITN-FUWTZERASA-N 458.551 4.408 50 1 JIGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(NC(=O)CCBr)cc1 587875369 SUPAVJBYYDZMHE-UHFFFAOYSA-N 468.178 4.427 50 1 JIGF COc1ccc(/C=N/NC(=O)c2cc(-c3ccc(OC)cc3)nn2Cc2ccc(Cl)nc2)cc1 40865816 DFQBTJOASRCIQJ-RWPZCVJISA-N 475.936 4.428 50 1 JIGF COc1c(Br)c(OC)c2c(c1C(C)=O)OC(C)(C)[C@@H](OC)[C@H]2Br 1857637219 VGUDXZMFJGEQIG-BONVTDFDSA-N 452.139 4.291 50 1 JIGF Cc1cn([C@H]2C=C[C@@H](COC(=O)CCCCCCCCCCCBr)O2)c(=O)[nH]c1=O 71296535 HZHLAEHZKFWBPY-RBUKOAKNSA-N 485.419 4.138 50 1 JIGF COc1cccc2cc3c(nc12)[C@@](CBr)(c1cc2c(cc1F)NC(=O)CC2)NCC3 963054281 ICLZHKDFOMPXDD-HSZRJFAPSA-N 470.342 4.051 50 1 JIGF O=C(N/N=C/c1ccco1)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2N[C@H]1c1ccco1 1772641116 VZFASXHROUMMPU-UHMSGWSSSA-N 454.486 4.201 50 1 JIGF Oc1ccc2c3c1O[C@H]1c4[nH]c5cccc(N=C=S)c5c4C[C@]4(O)[C@@H](C2)N(CC2CC2)CC[C@@]314 169372265 STPBFHDXZHEIEM-YJECHUCRSA-N 471.582 4.307 50 1 JIGF C[C@@H]1C[C@H](C)[C@H](O)C(C#N)=CC=CC[C@H]([C@@H]2CCC[C@@H]2C(N)=O)OC(=O)C[C@H](O)[C@H](C)C[C@H](C)C1 2356827674 IOHLCKBCGGSSCP-KGIUJBRMSA-N 488.669 4.036 50 1 JIGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)c1c[nH]c(C(=O)N2CCCC2)c1 587541252 ACCRQBDTRQIYDA-HYBUGGRVSA-N 452.894 4.052 50 1 JIGF NNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1cccc(F)c1)[C@@H](Cc1ccccc1)CCC3 28345938 VOXKBJPSSJMMPV-MRXNPFEDSA-N 494.617 4.331 50 1 JIGF COc1ccc2c(NC(=O)CBr)c(C(=O)c3cc(OC)c(OC)c(OC)c3)oc2c1 45498824 JUZUQTQPSPYICU-UHFFFAOYSA-N 478.295 4.032 50 1 JIGF COc1ccc2c(c1OC)C1(CC(CBr)C1)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963795457 GCADZGZKTSEKTD-UHFFFAOYSA-N 497.389 4.453 50 1 JIGF S=C(/N=C1/N[C@@H]2C=CC=C[C@H]2S1)SSC(=S)/N=C1\N[C@@H]2C=CC=C[C@@H]2S1 27192159 WFISZLOIRJZEMU-KKOKHZNYSA-N 454.718 4.049 50 1 JIGF N#CC(C(=O)N1N=C(O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)=C1SCCCS1 45289689 INZYHLDYHOHDQD-TZWRJOPASA-N 473.579 4.355 50 1 JIGF O=C([C@H]1NN2[C@H](N[C@H](c3cccs3)C[C@H]2C(F)(F)F)[C@H]1Cl)N1CCC[C@@H]2CCCC[C@@H]21 195481653 CRMJZPWOTGBJOQ-LXKHFVGGSA-N 476.996 4.017 50 1 JIGF C[C@H](S[C@H](C)C(=O)NN=Cc1cccc(Cl)c1)C(=O)NN=Cc1cccc(Cl)c1 4726575 RDHHPZFEIPDNPL-OKILXGFUSA-N 451.379 4.104 50 3 JIGF COc1cc(NC(=O)Nc2cccc(NC(=O)[C@@H](C)Br)c2)cc(OC)c1OC 40976010 UMULOYBYBZNIQC-LLVKDONJSA-N 452.305 4.078 50 1 JIGF O=C([C@H]1NN2[C@H](N[C@@H](c3cccs3)C[C@H]2C(F)(F)F)[C@H]1Cl)N1CCC[C@@H]2CCCC[C@@H]21 195481659 CRMJZPWOTGBJOQ-QQEMEOPQSA-N 476.996 4.017 50 1 JIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(O[C@H](C)C(=O)NN)cc2)N1 587740421 AUOPLLLBRFHTTP-RKPUJPDHSA-N 498.396 4.172 50 1 JIGF [C-]#[N+][C@]12[C@@H](O)[C@@H](O)C(C)(C)c3[nH]c4cccc5c4c3[C@]1(O)[C@H](C[C@@H](Cl)[C@]2(C)C=C)C5(C)C 238756021 UZVWRTZJFCDKBF-CXGOSFSJSA-N 454.998 4.137 50 1 JIGF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@@H](Br)[C@H]2CC[C@]1(CS(=O)(=O)O)C2(C)C 587491118 IOMHYVQJNYTDOU-SFJXLCSZSA-N 487.412 4.136 50 1 JIGF COc1cc2cc(C(=O)N3C[C@H](CCl)c4c3cc(O)c3ncccc43)[nH]c2c(OC)c1OC 34000135 YMYUEELGWHCYLY-ZDUSSCGKSA-N 467.909 4.430 50 1 JIGF O=C(CCCCCC(=O)Nc1ccccc1O)N/N=C/c1ccc(I)cc1 95809047 YJBPXYSMQPCMAJ-HYARGMPZSA-N 479.318 4.036 50 1 JIGF C[C@H](CSSCCN(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 618017412 KNFQLXYLEMUEBS-PPZWODQESA-N 481.772 4.278 50 1 JIGF C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21CCCOC(=O)CBr 299848405 DUHQMSNEBUCOPA-OUJNNOLASA-N 463.412 4.191 50 1 JIGF Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)[C@@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)cc1 587408813 IVDCZTIJEKZJPQ-AHWVRZQESA-N 499.032 4.418 50 1 JIGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc2c(c1)OCCO2 587537140 AZJKYCVQNCNYDO-NZQKXSOJSA-N 469.287 4.415 50 1 JIGF COc1cc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)ccc1OCc1ccc(NC(C)=O)cc1 29126117 ZYTCKMFTIAQGKQ-LGJNPRDNSA-N 467.909 4.356 50 1 JIGF COc1cc(OC)c2c(c1)C(=O)c1cc(C(Br)Br)cc(OC)c1C2=O 29335778 VVDQHINJUILUIV-UHFFFAOYSA-N 470.113 4.276 50 1 JIGF COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@@H](Br)[C@@H]2OC(=O)NN(C)C 35000832 XFOROANLTYGREU-YENHRIDLSA-N 451.405 4.496 50 1 JIGF COc1ccc(-c2nnc(-c3ccc(C(=O)N/N=C/c4cccc([N+](=O)[O-])c4)cc3)o2)c(OC)c1 473248202 LPFKQTOMHBGQGD-AFUMVMLFSA-N 473.445 4.093 50 1 JIGF COc1cc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(F)cc1O 587557314 MOLBXMPXWKCCIX-UGKGYDQZSA-N 475.266 4.498 50 1 JIGF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@](CBr)(c2ncccc2F)N1 963169110 GZAILXZVURTFLD-BBRMVZONSA-N 467.644 4.130 50 1 JIGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@@H](Cl)C(=O)Nc1ccc3c(c1)OCO3)O2 587372500 LXGXXJNTQBCLBZ-ZCYQVOJMSA-N 464.905 4.413 50 1 JIGF CC(C)c1nn(C)c2c1[C@](CBr)(c1ccc(F)c(Br)c1F)NCC2 962916646 CYDQLKAYCZXPBQ-KRWDZBQOSA-N 463.164 4.368 50 1 JIGF Cc1cc(F)c([C@]2(CCl)c3scnc3C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C)cc1F 963144809 MOXYDZCQBCMLPN-MGPUTAFESA-N 458.914 4.459 50 1 JIGF O=C(CCN1CCN(c2ccnc3cc(Cl)ccc23)CC1)N/N=C/c1ccc(Cl)cc1 103248308 IHEMCDFYDSSCPO-JVWAILMASA-N 456.377 4.204 50 1 JIGF CC(=O)NCCc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1F 587557675 OKTWHEHSLVLTQF-RCZVLFRGSA-N 469.896 4.306 50 1 JIGF [C-]#[N+][C@]12[C@@H](O)C(=O)C(C)(C)c3[nH]c4cccc5c4c3[C@]1(O)[C@H](C[C@@H](Cl)[C@]2(C)C=C)C5(C)C 207227556 CQNFEWJQEPWSEN-XKXQYJMWSA-N 452.982 4.346 50 3 JIGF N#CC(C(=O)N1N=C(O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)=C1SCCCS1 45289695 INZYHLDYHOHDQD-NSKBAKJYSA-N 473.579 4.355 50 1 JIGF O=C1c2ccc(O)cc2O[C@](CCl)([C@H]2CCCN2C(=O)C(F)(F)F)[C@H]1c1ccc(F)cc1 587326560 CFMMRMCVJQKSHX-LVCYWYKZSA-N 471.834 4.421 50 1 JIGF COC(=O)[C@]1([C@@H](Br)C(=O)c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587669885 GRRYLWSPOPWBJF-PEECDGGASA-N 499.174 4.137 50 1 JIGF O=C(COc1ccc(Cl)cc1Cl)N/N=C1/SCC(=O)N1c1ccc(Br)cc1 1772633929 OGVMVHFZUVKZLF-OQKWZONESA-N 489.178 4.302 50 1 JIGF O=C(CCl)NC[C@@]1(c2cccs2)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962638603 LMYTUTLUKZTJLY-BWKNWUBXSA-N 452.023 4.094 50 1 JIGF COc1ccc2c(c1OC)[C@@](CBr)(c1ccco1)N(C(=O)c1ccccc1N)CC2 963140038 MAMILYNMEUCPSM-HSZRJFAPSA-N 471.351 4.216 50 1 JIGF N/C(CCl)=N/CCC[C@H](NC(=O)c1cccc(-c2ccccc2)c1)C(=O)NCc1ccccc1 199566133 WLVRKBWUFKPAQU-DEOSSOPVSA-N 477.008 4.145 50 1 JIGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc2c(c1)OCO2 587538644 QVHZEDUHIZJUOD-KNQAVFIVSA-N 455.260 4.373 50 1 JIGF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@](CCl)(c3c[nH]c4nccc(Cl)c34)N12 962646024 SKYSSCDRQSJIEQ-DHIUTWEWSA-N 455.345 4.346 50 1 JIGF O=C(N/N=C/c1ccccc1O)c1cn(C2CC2)c2cc(N/N=C/c3ccccc3O)c(F)cc2c1=O 1857601472 BUKLYRKXADJWSA-HZUVFDMRSA-N 499.502 4.097 50 1 JIGF N#C/C(=C\c1ccccc1Cl)C(=O)NCCCNC(=O)/C(C#N)=C/c1ccccc1Cl 13676700 MXOYAJBTEOPWLQ-KLCVKJMQSA-N 453.329 4.130 50 1 JIGF COc1ccc(Br)cc1/C=N/NC(=O)CCCCCC(=O)Nc1ccccc1O 95808905 COWGSPMSRRYJQW-OEAKJJBVSA-N 462.344 4.203 50 1 JIGF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@@](CBr)(c2ccc(C(F)(F)F)cn2)N1 962969332 QGNFKTRSWHHNQQ-MEDUHNTESA-N 485.634 4.269 50 1 JIGF COc1ccc([C@@H]2C(C#N)=C(N)OC(C)=C2[C@]2(C)NCCc3c(OC)ccc(Cl)c32)cc1 963268932 BIXGVROUNFIRLZ-BWKNWUBXSA-N 451.954 4.500 50 1 JIGF CN1Cc2cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc2NC1=O 587541845 DLWFXEZORPYWDK-GBXCKJPGSA-N 450.878 4.465 50 1 JIGF CC(C)(C)OC(=O)N1CCC[C@H]1/C=N/NC(=O)CCCCCCC(=O)Nc1ccccc1O 95809036 QIQKGJAXZDCBNY-WLXKGNRNSA-N 460.575 4.173 50 1 JIGF C[C@@H](Oc1ccc([C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1)C(=O)NN 587509669 ILNMRMSZQOOKND-WRHNGFHOSA-N 456.542 4.232 50 1 JIGF O=C(NNC(=O)c1ccccc1Nc1ccc2c(/C=C/c3ccccn3)[nH]nc2c1)c1ccccn1 1772643609 METIYVURSOOMFU-WYMLVPIESA-N 475.512 4.342 50 1 JIGF NNC(=O)CCCCCCCCC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587657116 VSGHSHBDDUXGPO-UHFFFAOYSA-N 456.493 4.093 50 1 JIGF NC(=O)CCc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587324799 AAKNJODVVWWOCD-UKILVPOCSA-N 453.897 4.442 50 1 JIGF O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)CN(C(=O)C(Cl)Cl)C/C1=C\c1ccc([N+](=O)[O-])cc1 1911582633 XZUDJMIKDPGPGJ-KAVGSWPWSA-N 476.272 4.185 50 1 JIGF Oc1ccc2c3c1O[C@H]1c4[nH]c5c(N=C=S)cccc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@@]314 100640646 STOXPPZNSYPOHZ-CBTSXZFNSA-N 471.582 4.307 50 1 JIGF Cc1ccc(C(=O)N/N=C(/Cn2c([N+](=O)[O-])cnc2C)c2ccc(Br)cc2)cc1 103283930 CNRVBTVLAUEOKD-NKFKGCMQSA-N 456.300 4.005 50 1 JIGF COc1cc2c3c(c1)O[C@@](c1ccc(Cl)cc1)([C@H](Br)CC(=O)O)[C@@H](C2)C3=O 587413333 GUUUSQUYDRRMOF-YYFZDKIDSA-N 451.700 4.230 50 1 JIGF COc1ccc2c(c1)[C@](/C=C(/NNC(=O)CC#N)c1ccccc1)(C(F)(F)F)N(C(C)C)CC2 962092170 PFOMFXUHZXUKAG-GOOXQAOHSA-N 472.511 4.295 50 1 JIGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CC[C@H]2C(=O)O)C/C=C/C=C(\C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 169355086 AOKPUKQFVXDBSJ-FXGHQDSZSA-N 475.626 4.245 50 1 JIGF CCOCCOC(=O)/C(C#N)=C(\NCc1ccc(OCc2cnc(Cl)s2)cc1)SC 98083002 APNFKNQTEFRKAV-ISLYRVAYSA-N 468.000 4.143 50 1 JIGF O=C(O)C[C@@H](Br)C(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 587875068 NYWWKADBVWZBNL-QGZVFWFLSA-N 497.172 4.125 50 1 JIGF O=C(Nc1ccccc1)Nc1ccc(C(=O)NN=C2C(=O)Nc3ccc(Br)cc32)cc1 1857609801 GKWZYIFBDOSDOK-UHFFFAOYSA-N 478.306 4.179 50 1 JIGF CC(C)CN(NC(=O)C1(c2ccc(Cl)cc2)CCC1)c1nc(C#N)ncc1Br 58575789 IAUJQYMWQRQLJH-UHFFFAOYSA-N 462.779 4.380 50 1 JIGF O=C1c2ccccc2C(=O)N1CC[C@]1(CBr)c2ccc(F)cc2C[C@H]2CCCN21 963092195 AMCOCXIIAYVUDC-HXOBKFHXSA-N 457.343 4.123 50 1 JIGF N[C@@H](Cc1ccccc1)C(=O)N1[C@H](C(=O)O)Cc2ccc(O)cc2[C@@]1(CCCCl)c1cccs1 963707538 ZNTDHLHKPBFLTB-MCEYFSPLSA-N 499.032 4.124 50 1 JIGF N#C/C(=C/c1c[nH]nc1-c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1)C(=O)O 587882008 JHLZFLAYDDBMEN-ZDLGFXPLSA-N 479.323 4.085 50 1 JIGF CN1C(=O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@H](CC[C@@]4(O)C#CCCI)[C@@H]3CC[C@@H]12 40639278 MVORGJNGNGLACY-UCKAWJCSSA-N 483.434 4.409 50 1 JIGF CCCc1c(O)ccc2c1O[C@](c1ccc(OCC(=O)O)cc1)([C@H](C)Br)CC2=O 587455382 BDVNYTAPWCNDGV-XMHCIUCPSA-N 463.324 4.452 50 1 JIGF Cc1ccc([C@@H]2C(C#N)=C(N)OC(c3ccccn3)=C2[S@](=O)c2ccc([N+](=O)[O-])cc2)cc1 1857761342 ABBPLEQTDNOEFA-GSTQUKTASA-N 458.499 4.283 50 1 JIGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(F)c(C(=O)CBr)c1 587894587 QAIBJRXLSYMJPP-UHFFFAOYSA-N 457.126 4.421 50 1 JIGF Cn1cncc1[C@@](O)(CN1CCC(C#N)=C(c2cccc3ccccc23)C1)c1ccc(C#N)cc1 34036792 ROYSOBXGDVHDTQ-GDLZYMKVSA-N 459.553 4.364 50 1 JIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(/C(C#N)=C2/NC(=O)c3ccccc3N2)N1 587689134 PYBWXMMCJQURBE-IHBOCFLGSA-N 475.749 4.147 50 1 JIGF C=C(Cn1cnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)C(=O)NNc1ccccn1 1857766162 DEJOTJRIXJUQOS-UHFFFAOYSA-N 456.350 4.077 50 1 JIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)([C@H](C#N)C(=O)NCc2ccccc2)N1 587687094 FIFCQOVCASTACB-QKAVXHIFSA-N 464.766 4.013 50 1 JIGF COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2c(N)cc3nc4ccccc4nc3c21 1772628365 DZJABQNKJCMBHN-LJQANCHMSA-N 474.318 4.354 50 1 JIGF O=C(O)C[C@H](CC(=O)NNC(=O)CCCCNc1ccccn1)c1ccc(-c2ccccc2)cc1 29566786 XMXSNMYAHVBHCD-QHCPKHFHSA-N 474.561 4.127 50 1 JIGF CS[C@H](C[C@@H]1C/C=C/C=C(/C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O1)C(=O)O 43552649 FKJWSHZWLPGKEH-GQFHUAFNSA-N 495.682 4.341 50 1 JIGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(C1CCN(C(=O)OC(C)(C)C)CC1)O2 587376409 XMMOMBICJALDBQ-NRFANRHFSA-N 453.377 4.323 50 1 JIGF C=C1CC[C@@H]2C([C@@H](OC(C)=O)[C@H](C=C(C)C)OC(C)=O)=CO[C@H](OC(C)=O)[C@H]2C(=C)CC[C@H]1OO 201642827 HVAHZTRJIMZNBH-FTOXWQSTSA-N 492.565 4.396 50 1 JIGF CN(C)CCSSCCNC(=O)[C@@H]1CCCN(C(=O)c2ccccc2Nc2ccccc2)C1 618008268 WQEMNXSDPPNWGZ-HXUWFJFHSA-N 486.707 4.342 50 1 JIGF COCCOCCOc1nc(-c2ccc(Cl)c(Cl)c2)n(-c2ccc(NC(=O)CCl)cc2)n1 1857638436 VPJNPOGKWPRMCZ-UHFFFAOYSA-N 499.782 4.460 50 1 JIGF CN1[C@H]2CC[C@@H]1[C@@H](C(=O)OCCc1ccc(N=C=S)cc1)[C@@H](OC(=O)c1ccccc1)C2 13447552 YFNOQEKRUIFWNP-GSPCLOLRSA-N 450.560 4.215 50 1 JIGF Cc1ncsc1[C@]1(CNC(=O)CCCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587377705 SNZYDJMLXPVUHZ-NZQKXSOJSA-N 474.941 4.296 50 1 JIGF C[C@H](Oc1ccc([C@@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1)C(=O)NN 587740415 AUOPLLLBRFHTTP-ITNZAGEZSA-N 498.396 4.172 50 1 JIGF COCCOc1nc(-c2ccc(Cl)c(Cl)c2)n(-c2cccc(NC(=O)CCl)c2)n1 1857751438 HAWIURGTQHMJNQ-UHFFFAOYSA-N 455.729 4.444 50 1 JIGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)([C@H](Cl)C(=O)Nc1ccc3c(c1)OCO3)O2 587372495 LXGXXJNTQBCLBZ-ILBGXUMGSA-N 464.905 4.413 50 1 JIGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)c1c[nH]c(C(=O)N2CCCC2)c1 587541251 ACCRQBDTRQIYDA-GBXCKJPGSA-N 452.894 4.052 50 1 JIGF COc1ccc(C(=O)[C@@H](Br)[C@H](SCCN)c2ccc(OC)c(OC)c2)c(OC)c1 1772647271 UZNWBYMIXUPFMN-TZIWHRDSSA-N 484.412 4.100 50 1 JIGF O=C1[C@@H](Cl)[C@H](c2ccc(O)cc2O)N1c1nnc(Cn2c3ccccc3c3ccccc32)o1 53294026 HFGYWJCLKNQFKN-VXKWHMMOSA-N 460.877 4.332 50 1 JIGF CN(C)CCCNC(=O)c1ccc(NC(=O)Nc2ccc(N(CCCl)CCCl)cc2)cc1 66103990 ZGQSCWHHMIVTQO-UHFFFAOYSA-N 480.440 4.296 50 1 JIGF CCCc1c(O)ccc2c1O[C@@](CCl)([C@@H](C#N)C(=O)NCc1ccc(Cl)cc1)CC2=O 587457854 COZYYKYTDPZNIC-MBSDFSHPSA-N 461.345 4.397 50 1 JIGF COCCOc1nc(-c2cc(Cl)cc(Cl)c2)n(-c2ccc(NC(=O)CCl)cc2)n1 1857636806 AMWYFTQITSZSMP-UHFFFAOYSA-N 455.729 4.444 50 1 JIGF COc1ccc([C@@H]2C(C#N)=C(N)[N+](c3ccc(S(N)(=O)=O)cc3)=C3CCCC[C-]32)c2ccccc12 55812583 NXGCPZGNKFRBSK-SANMLTNESA-N 486.597 4.221 50 1 JIGF C[C@]12C=C3C(=O)O[C@@H](c4ccccc4Br)C[C@@]3(OO1)O[C@@H]2c1ccc([N+](=O)[O-])cc1 96934090 RHPHEJQZMPXNFE-UKAVVXHISA-N 474.263 4.460 50 1 JIGF COc1cccc(C(=O)Nc2ccc(C(=O)N/N=C/c3cc(Br)c(O)c(OC)c3)cc2)c1 299871160 XXXKQVBJQNKSDH-DHRITJCHSA-N 498.333 4.188 50 1 JIGF Cc1ccc(S(=O)(=O)C[C@@]2(CCl)c3cccc(F)c3CCN2[C@@H]2CCSC2)cc1 962698051 CQTBBGGOYDLURD-VGSWGCGISA-N 454.032 4.406 50 1 JIGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCC(=O)Nc3cccc(S(C)(=O)=O)c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 73197310 NXBCGPTVEHMYSR-RMNSZJJASA-N 493.622 4.059 50 1 JIGF C[C@H](Oc1ccc([C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1)C(=O)NN 587509659 ILNMRMSZQOOKND-JMQGSBJISA-N 456.542 4.232 50 1 JIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cccc(S(C)(=O)=O)c2)N1 587850882 TYEHBFAQNMOTAC-ADLMAVQZSA-N 491.220 4.164 50 1 JIGF O=C(Cn1nc(/N=C/c2ccccc2)c2ccc(C(F)(F)F)nc21)N/N=C/c1ccccc1 1857600091 IKBAWGMLIFMPBC-OCHFTUDZSA-N 450.424 4.351 50 1 JIGF COc1ccc2c3c1O[C@H]1[C@@]4(OC)C=C[C@@]5(C[C@H]4[C@@H](C)N=C=S)[C@H](C2)N(CC2CC2)CC[C@@]315 261083143 CBPASLHMRDUOQC-XRFMWPRDSA-N 464.631 4.187 50 1 JIGF CCOC(=O)c1ccccc1[C@]1(CBr)c2cc(OC)c(OC)cc2C[C@@H](C)N1C 962619510 DAJCZDYWZMPKCA-IQMFZBJNSA-N 462.384 4.395 50 1 JIGF C[C@H](Cl)[C@]1(c2ccc(NS(C)(=O)=O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587606253 GOXNQDPWUZBZBP-MHALITNNSA-N 473.934 4.248 50 1 JIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(/C(C#N)=C2\NC(=O)c3ccccc3N2)N1 587686309 CHUYVHVHEVRZAC-KCPAZRBNSA-N 475.749 4.147 50 1 JIGF Cc1cc(C)c([C@]2(CBr)N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)c(Br)c1 963491945 OGFUDTVBBSSRNS-YWZLYKJASA-N 483.200 4.317 50 1 JIGF O=C(CBr)OCCn1c(=O)oc2cc3ncnc(Nc4ccc(F)c(Cl)c4)c3cc21 1772607245 YNPXWNQBZQDHOP-UHFFFAOYSA-N 495.692 4.012 50 1 JIGF O=C(N/N=C/c1cc(Br)c(O)c(Br)c1O)c1ccc2ccccc2c1O 40422475 MMOZDIILDMVCCF-ODCIPOBUSA-N 480.112 4.246 50 1 JIGF COc1cc(N2C(N)=C(C#N)[C@H](c3ccc(O)cc3)C3=C2CC(C)(C)CC3=O)cc(OC)c1OC 45285356 XBCGUUVSPOPKIC-QHCPKHFHSA-N 475.545 4.359 50 1 JIGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(S(C)(=O)=O)cc1)CC2=O 587489601 VHLKDLGYYQRFBS-HXUWFJFHSA-N 453.354 4.004 50 1 JIGF O=C(N/N=C/c1cccs1)N1CCc2ncnc(Nc3cccc(Br)c3)c2C1 1857643174 CRODQBPWMSADOA-AUEPDCJTSA-N 457.357 4.146 50 1 JIGF C[C@@](O)(CSc1ccc(NC(=O)CCl)cc1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 3814373 MRBABTVEAJIDRX-GOSISDBHSA-N 491.875 4.273 50 1 JIGF C/C1=C/C2=C[C@H](C)C[C@@]2(Br)C(=O)[C@@]2(C)O[C@@H]([C@@H](Br)C1=O)C(C)(C)CC2=O 96928271 LPAIOUHOGJWURF-IVWXTQSSSA-N 488.216 4.091 50 1 JIGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1cccc(I)c1)O2 587387449 ROHUBPVIPCKFKT-KRWDZBQOSA-N 472.120 4.437 50 1 JIGF N#CC1=C(N)Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2[C@]12C(=O)Nc1cc(Cl)ccc12 1857571229 YATXQHLSNYPCGS-AREMUKBSSA-N 483.867 4.143 50 1 JIGF COc1ccc2c(=O)cc([C@H](C)Br)oc2c1COC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C 169328970 UKUSIFRFBOCIQK-HVGVKYOCSA-N 493.350 4.423 50 1 JIGF CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)c1ccccc1)[C@H]2C(=O)OCCc1ccc(N=C=S)cc1 36177077 YFNOQEKRUIFWNP-LDVJMBRRSA-N 450.560 4.215 50 1 JIGF O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 137588893 WRRQPLMTPKZURZ-UHFFFAOYSA-N 481.468 4.185 50 1 JIGF CCc1cc([N+](=O)[O-])c(OC)c([C@@]2(CBr)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587415971 ZOFYXYMUVXEKHR-SZNDQCEHSA-N 462.296 4.212 50 1 JIGF CC(C)[C@@H]1C[C@H](O)C=C2[C@H]3[C@](C)(CC[C@@]21CBr)[C@@H](Br)C[C@@H](O)[C@@]3(C)O 2356649264 GYAWJQDSSUBDTF-GMZHDCPSSA-N 480.281 4.026 50 1 JIGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1cccc(I)c1)O2 587387450 ROHUBPVIPCKFKT-QGZVFWFLSA-N 472.120 4.437 50 1 JIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc3c(c2)NC(=O)[C@@H](C)O3)N1 587672547 GLKPDHDLDBENHX-HZNYWTHISA-N 498.190 4.480 50 1 JIGF CC(=O)NCCc1ccc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 587847524 LEMCTANQCFONHT-WLRWDXFRSA-N 459.812 4.345 50 1 JIGF CCOC(=O)c1ccccc1[C@]1(CBr)c2cc(OC)c(OC)cc2C[C@H](C)N1C 962619512 DAJCZDYWZMPKCA-NPMXOYFQSA-N 462.384 4.395 50 1 JIGF CN(C)C(=O)c1ccc2c(c1)[C@](CBr)(c1cc(-c3ccc(Cl)cc3)no1)NCC2 962932516 QLCHWEGPQBVFMG-JOCHJYFZSA-N 474.786 4.481 50 1 JIGF C[C@@H](CC(=O)N(C)[C@H](C[C@H](C)C(Cl)Cl)C(=O)NCc1nccs1)C(Cl)Cl 139558473 UTMCZQWBPGZOMZ-GARJFASQSA-N 463.258 4.246 50 1 JIGF COc1cc2c3c(c1)O[C@@](c1ccc(Br)cc1)([C@@H](Br)CC(=O)O)[C@@H](C2)C3=O 587415982 ZQYWDDVZANGNIF-DKICVRJWSA-N 496.151 4.339 50 1 JIGF C[C@H](Oc1ccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1)C(=O)NN 587576399 GROIXPBHCBYHGF-MATGHHGYSA-N 496.519 4.055 50 1 JIGF COc1ccc([C@H]2C(C#N)=C(N)OC(C)=C2[C@]2(C)NCCc3c(OC)ccc(Cl)c32)cc1 963268933 BIXGVROUNFIRLZ-OFVILXPXSA-N 451.954 4.500 50 1 JIGF CCOP(=O)(OCC)[C@H](NNC(=O)CSc1nnc(-c2ccncc2)o1)c1ccc(C)cc1 1857574168 JFBFWYGJXATGFL-FQEVSTJZSA-N 491.510 4.118 50 1 JIGF [C-]#[N+][C@]12[C@@H](O)[C@H](O)C(C)(C)c3[nH]c4cccc5c4c3[C@]1(O)[C@H](C[C@@H](Cl)[C@]2(C)C=C)C5(C)C 85601136 UZVWRTZJFCDKBF-OODLVNIASA-N 454.998 4.137 50 1 JIGF COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4cccc(NC(=O)[C@@H](C)Cl)c41)[C@@H](C2)C3=O 587417441 MNMFGOKBKXWPJN-USXXSAIHSA-N 473.912 4.497 50 1 JIGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(N3CCOCC3)cc1)CC2=O 587456601 RVQSCQLCWARPFV-HSZRJFAPSA-N 460.368 4.437 50 1 JIGF O=C(O)C[C@H](Br)C(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 587875067 NYWWKADBVWZBNL-KRWDZBQOSA-N 497.172 4.125 50 1 JIGF CN(C)CCSSCCCNC(=O)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1 618012479 IOYWEDTZSQQILH-NRFANRHFSA-N 461.653 4.103 50 1 JIGF COc1ccc(N/C(C#N)=C2/C(=O)c3ccccc3[C@]23c2cc(OC)c(OC)cc2C[C@H](C)N3C)cn1 962634682 URPBIRNHWGHIGB-XFQZYUEDSA-N 496.567 4.313 50 1 JIGF NN(C(=O)c1ccc(Cl)cc1Cl)S(=O)(=O)c1cc(Cl)c(Br)s1 28339628 JFDWMMYRKLIBSH-UHFFFAOYSA-N 464.577 4.176 50 1 JIGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2cccc(I)c2[nH]1 587009442 FWSXGMWYCNVCPD-INIZCTEOSA-N 478.721 4.288 50 1 JIGF O=C(N/N=C/c1ccc(Br)cc1O)c1ccc(Br)c(Br)c1 1857589459 SDRMNJLHWOCFBY-CNHKJKLMSA-N 476.950 4.444 50 1 JIGF Oc1ccc2c3c1O[C@@H]1c4[nH]c5c(N=C=S)cccc5c4C[C@]4(O)[C@@H](C2)N(CC2CC2)CC[C@@]314 169318162 STOXPPZNSYPOHZ-WWKAFPJRSA-N 471.582 4.307 50 1 JIGF COCCCN1CCc2ccc(OC)cc2[C@@]1(CBr)c1c(OC)cc(OC)cc1OC 961324735 NTCPVEJNYCXCLL-DEOSSOPVSA-N 494.426 4.254 50 1 JIGF CCOC(=O)c1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2cccc(OCC)c2)c1 13779105 HEPIHCVTMLACOE-UHFFFAOYSA-N 487.516 4.110 50 1 JIGF COc1cc([C@@H]2C(C#N)=C(N)Oc3c2ccc2nc(C)c(C)nc32)cc(Br)c1OC 40587753 FSVHVXRWWUBWHG-SFHVURJKSA-N 467.323 4.245 50 1 JIGF CCC(CC)(C(=O)OC)[C@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587538998 TXYOIGOOVIMZJW-VGOFRKELSA-N 463.324 4.467 50 1 JIGF CCOc1cc([C@H]2C(C#N)=C(C)NC3=C2[C@]2(CC(C)(C)C3)c3c(cnn3C)CCN2C)ccc1O 963956145 VEPSXHPVZQNXFN-RBJSKKJNSA-N 473.621 4.466 50 1 JIGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@H](C)CC(=O)O)C/C=C/C=C(/C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 35921499 GNUDZIMLPGSNDI-UBBZMTNISA-N 463.615 4.245 50 1 JIGF CC(=O)OC[C@H](Br)[C@]1(C)CC=C2[C@H](C1)[C@@H](O)C[C@@H]1[C@]2(C)C[C@H](OC(C)=O)[C@H]2C[C@]21C 166192884 HZCDDFSOFFFHAP-OGIGLYJPSA-N 483.443 4.404 50 1 JIGF COC(=O)c1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587539047 UTJOCLHLBZBMQJ-XXBNENTESA-N 469.287 4.431 50 1 JIGF COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4c(NC(=O)[C@H](C)Cl)cccc41)[C@@H](C2)C3=O 587419771 ZMCUEAGWACLWQG-VOWXSVNXSA-N 473.912 4.497 50 1 JIGF CCOP(=O)(OCC)C(F)(F)[C@@]1(C(F)(F)F)N=C2C=CC(Cl)=CN2C(N)=C1C#N 82053134 ICOVLOQTWCGZGY-CYBMUJFWSA-N 460.727 4.204 50 1 JIGF CC1(C)C[C@]2(CC[C@@H]1Br)O[C@@H]2[C@@H]1[C@H](O)C[C@]2(C)[C@H](Br)CC[C@](C)(O)[C@H]12 2356858471 TUGDQMUKKJUULR-ZPSABHGJSA-N 480.281 4.409 50 1 JIGF CC(C)(C)[C@@]1(CNC(=O)CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587323620 SATKWFDRGRCINX-KNQAVFIVSA-N 464.331 4.186 50 1 JIGF CCCc1c(O)ccc2c1O[C@@](CNC(=O)CCl)(c1ccccc1Br)CC2=O 587456426 OMXJEUQWWWNXDR-NRFANRHFSA-N 466.759 4.323 50 1 JIGF COC(=O)CCn1c(C)cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587547238 ZKAAVGKDGAWUMU-RDGATRHJSA-N 469.921 4.470 50 1 JIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(CN2C(=O)c3ccccc3C2=O)N1 587671681 ADBUUZBOAMEBMI-BIBXISHDSA-N 496.174 4.009 50 1 JIGF O=C(N/N=C/c1cccc(O)c1O)c1ccc(-c2nnc(-c3ccc4ncccc4c3)o2)cc1 653764356 LIJLABOGZSFMBZ-MZJWZYIUSA-N 451.442 4.127 50 1 JIGF Cc1nnc(Sc2ccc(/C=N/NC(=O)CCCCCCC(=O)Nc3ccccc3O)o2)n1C 95809029 BDERETMLEVCFEO-BUVRLJJBSA-N 484.582 4.003 50 1 JIGF CC(=O)NCCc1ccc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)s1 587847332 KLOMXIAFJFKVPX-WYRIXSBYSA-N 459.812 4.345 50 1 JIGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(CS(=O)(=O)c2ccccc2)N1 587848710 INYIXDXQTAQVTA-SGTLLEGYSA-N 491.220 4.187 50 1 JIGF COC(=O)c1cccc(NC(=O)c2ccc(N3C(=O)c4cccc5c(NOO)ccc(c45)C3=O)cc2)c1 621476584 ZEYAZWYRLPIQAI-UHFFFAOYSA-N 497.463 4.496 50 1 JIGF C[C@H]1C[C@H](C)C[C@@H](C)C[C@@H](C)[C@@H](O)/C(C#N)=C/C=C/C[C@H]([C@H]2C[C@@]2(C)C(=O)O)OC(=O)C[C@@H]1O 255271196 UDZICKVESDOJCX-MPSRIYBXSA-N 475.626 4.245 50 1 JIGF COc1cc2c3c(c1)O[C@](c1ccccc1)([C@@H](Cl)C(=O)Nc1ccc4c(c1)OCO4)[C@@H](C2)C3=O 587417316 LGKXJKGLLZDXHR-SQOVJYTMSA-N 477.900 4.313 50 1 JIGF O[C@H](COc1ccc(C2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)cc1)CN1CCOCC1 1772586425 YELDFODGMSCDPJ-HXQQKQTASA-N 499.648 4.243 50 1 JIGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(N2CCOCC2)cc1 587538015 MFHIPYVGINBQLQ-WIOPSUGQSA-N 496.357 4.481 50 1 JIGF C[C@H](Cl)[C@]1(c2ccc3c(c2)NC(=O)CO3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587544913 PNPFRXYBNXVVMZ-KYEGHIGRSA-N 451.862 4.208 50 1 JIGF CC(=O)N(C)Cc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587542555 HMCODGIRFVUAIG-RCZVLFRGSA-N 451.906 4.466 50 1 JIGF C[C@H](Oc1ccc([C@@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1)C(=O)NN 587751166 WQJXKWQJEKBLOT-ITNZAGEZSA-N 498.396 4.172 50 1 JIGF CCOC(=O)[C@@]1([C@@H](C)Br)c2ccc(C)cc2C[C@H](CC(=O)O)N1C(=O)OC(C)(C)C 963918102 XOLIGJXDWCXTJL-VKIFBMEASA-N 484.387 4.173 50 1 JIGF O=C(CCl)Nc1ccc(-n2nc(OCCCO)nc2-c2ccc(Cl)c(Cl)c2)cc1 1857637334 BZVPOTYQXSRGSA-UHFFFAOYSA-N 455.729 4.180 50 1 JIGF CCO/C(O)=C1\C(CS(=O)(=O)c2ccncc2)=NC(C)=C(C#N)[C@@H]1c1ccccc1Cl 34802431 AIYOKUMFSDZTSK-VSRNGQBXSA-N 457.939 4.351 50 1 JIGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(N2CCOCC2)cc1 587538007 MFHIPYVGINBQLQ-DHLKQENFSA-N 496.357 4.481 50 1 JIGF CN1CCN(CCc2ccc(NC(=O)c3ccc4nc(/C=C\CBr)[nH]c4c3)cc2)CC1 586974067 QDBASIUUKQHUKM-IHWYPQMZSA-N 482.426 4.013 50 1 JIGF COc1cc2c(cc1OC)[C@@](C)([C@H](C)SC#N)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963773410 CICZKBANTBMFAA-ODCWNRFASA-N 463.559 4.271 50 1 JIGF CC1(C)C[C@]2(CC[C@@H]1Br)O[C@@H]2[C@@H]1[C@H](O)C[C@]2(C)[C@H](Br)CC[C@@](C)(O)[C@H]12 2356858468 TUGDQMUKKJUULR-BUGHINPRSA-N 480.281 4.409 50 1 JIGF CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)C[C@H]1O[Si](C)(C)C(C)(C)C 195771645 XTEPBIUQFMKCPD-IXDOHACOSA-N 474.722 4.375 50 1 JIGF COc1ccc(-c2nnc(-c3ccc(C(=O)N/N=C/c4ccccc4[N+](=O)[O-])cc3)o2)c(OC)c1 473249351 VDUTYJDGLYZELK-AFUMVMLFSA-N 473.445 4.093 50 1 JIGF O=C1c2ccccc2C(=O)N1CC[C@]1(CBr)c2ccc(F)cc2C[C@@H]2CCCN21 963092210 AMCOCXIIAYVUDC-SBUREZEXSA-N 457.343 4.123 50 1 JIGF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]21C(Cl)=C(NC(=O)C(Cl)Cl)C(=O)c2ccccc21 963642423 YQAQRMOJLPUDRA-QVQLBTGDSA-N 495.790 4.048 50 1 JIGF CC(C)(C)OC(=O)N1C[C@H](Br)[C@@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587544166 MXPFCRVENQGLGL-PNLZDCPESA-N 476.323 4.107 50 1 JIGF O=C(O)c1ccc([C@@]2(CBr)N[C@@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)cc1 963177183 JHMHYBIMKHEMDH-CRAIPNDOSA-N 492.675 4.294 50 1 JIGF Cc1cc([S@](=O)C(F)(F)[C@@H](F)Cl)ccc1NC(=O)NC(=O)c1c(F)cccc1F 31500387 JTIPEMUXUZKVLM-MHTXLSKPSA-N 454.804 4.470 50 1 JIGF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CCl)c(CCCl)c2c1 587618460 QUIVVDMFWSZBMT-UHFFFAOYSA-N 458.323 4.406 50 1 JIGF C[C@@H](Cl)C(=O)N(C)Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 587883890 CLMPLQIWBJAKRK-OAHLLOKOSA-N 451.781 4.290 50 1 JIGF CC(C=O)=C[C@H](C)[C@@H]1CC(C)=CC=CCC[C@H](OC(=N)O)[C@H](O)C=C[C@@H](O)CCCC=CC(=O)O1 2356542306 XKGDMUIDORFBTK-GIDFYXQGSA-N 489.609 4.248 50 1 JIGF COC(=O)c1cc2c3c(ccc2[nH]1)N(C(=O)c1cc2cc(OC)c(OC)c(OC)c2[nH]1)C[C@@H]3CCl 1860765 APWWFQQORDQRJM-ZDUSSCGKSA-N 497.935 4.444 50 1 JIGF CC(C)CN(NC(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1nc(C#N)ncc1Cl 58569130 KYWDWISHTPMEPH-UHFFFAOYSA-N 463.851 4.014 50 1 JIGF CCOC(=O)COc1ccc(Cl)cc1COC(=O)c1cc2cc(CCl)ccc2oc1=O 28703747 UMLFQALCMANBHR-UHFFFAOYSA-N 465.285 4.484 50 1 JIGF COc1ccc(-c2cc(C(=O)N/N=C/c3ccc4c(c3)OCO4)n(Cc3ccc(Cl)nc3)n2)cc1 40861363 NDUDRNFJIBNQAM-XODNFHPESA-N 489.919 4.148 50 1 JIGF O=Cc1cc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1O 587537507 GNMLNXMOVUEXQP-SIKLNZKXSA-N 455.260 4.162 50 1 JIGF N#Cc1cnn2c(Nc3ccc(N(CCCl)CCCl)cc3)cc(CN3CCCC3)nc12 1772640203 CHTBJPUYWWNOEJ-UHFFFAOYSA-N 458.397 4.224 50 1 JIGF CC(C)(C)OC(=O)N1C[C@H](Br)[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587544158 MXPFCRVENQGLGL-GSHUGGBRSA-N 476.323 4.107 50 1 JIGF Cc1nc(-c2ccc(C(=O)NN(CC(C)C)c3nc(C#N)ncc3Br)cc2)cs1 58568777 LENXZKFERLLERZ-UHFFFAOYSA-N 471.384 4.350 50 1 JIGF N#Cc1cc2c(nc1O)CC[C@H](Br)[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587320453 AFMMLQDGOXZABP-AWRGLXIESA-N 495.304 4.468 50 1 JIGF CC(C)[C@@H]1CC[C@H](O)[C@H]2[C@H]3[C@](C)(CC[C@]12CBr)[C@@H](Br)CC(=O)[C@]3(C)O 42808551 BIVHKSWAKLEJQJ-UCFXXTBXSA-N 480.281 4.314 50 1 JIGF CC(=O)NCCc1ccc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1F 587725543 QVQVUQDTFXNWQU-XUSGNXJCSA-N 471.773 4.423 50 1 JIGF C[C@H]1[C@@H]2CC[C@@]3(C)OO[C@@]24[C@@H](C[C@H]1O)[C@@H](C)[C@H](OC(=O)/C=C/c1ccc(Cl)cc1)O[C@@H]4O3 653704592 HRJOZHBAEXVIJM-RDKSKQJSSA-N 464.942 4.075 50 1 JIGF COc1cc2c3c(c1)O[C@@](C(Br)Br)(C(F)(F)C(F)(F)F)[C@@H](C2)C3=O 587422797 USMPAVSRIACGPU-MADCSZMMSA-N 480.021 4.495 50 1 JIGF Cc1csc(C(=O)NNC(=O)CN2CCC[C@@H]2CNCCC(c2ccccc2)c2ccccc2)c1 28365793 VKWCZJCWDJCUQJ-XMMPIXPASA-N 490.673 4.094 50 1 JIGF O=C(N/N=C/c1ccccc1)N1CCc2ncnc(Nc3cccc(Br)c3)c2C1 1857757794 VVXQCIGXRLLRPO-BRJLIKDPSA-N 451.328 4.085 50 1 JIGF O=C(Nc1ccc(Cl)cc1)N[C@@H]1N=C(c2ccccc2)c2ccccc2N(C[C@@H](O)CCl)C1=O 13732729 HXXRJVJGNWSUJW-CVDCTZTESA-N 497.382 4.272 50 1 JIGF CC(C)[C@@H]1C=CC(=O)[C@H]2[C@@H]3[C@](C)(O)[C@@H](O)C[C@H](Br)[C@@]3(C)CC[C@@]21CBr 42877164 JGVFMEFXYFJJSK-KTPFSLFISA-N 478.265 4.090 50 1 JIGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1c[nH]c(C(=O)N2CCCC2)c1 587541254 ACCRQBDTRQIYDA-YKSBVNFPSA-N 452.894 4.052 50 1 JIGF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@](CBr)(c2ncccc2F)N1 963169113 GZAILXZVURTFLD-XJKSGUPXSA-N 467.644 4.130 50 1 JIGF CCCCOc1c(B(O)O)cc(C)cc1[C@H]1c2ccccc2CCN1[C@H](C#N)c1ccccc1 963189825 MJVNVSOBTJPVBS-KAYWLYCHSA-N 454.379 4.066 50 1 JIGF CC(C)C[C@H](NC(=O)[C@@H](CI)Cc1ccccc1)C(=O)Nc1ccccc1 1650921 JVSAMVNCXRHSFH-QUCCMNQESA-N 478.374 4.450 50 1 JIGF O=C([C@H]1Cc2ccccc2[C@@](CCl)(c2ccc(I)cc2)N1)C(F)(F)F 962729716 JVQAFGRRYJEZML-NVXWUHKLSA-N 479.667 4.419 50 1 JIGF COC(=O)C1=CN(c2ccc3c(c2)OCO3)C(N)=C(C#N)[C@@H]1c1ccc(-c2ccccc2)cc1 95566922 IFTNIOIUELWPQK-VWLOTQADSA-N 451.482 4.437 50 3 JIGF C[C@H]1O[C@H](n2cc(F)c(=O)[nH]c2=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C 195498592 KGHPPTLBPKJSIG-KBEGMRNHSA-N 474.722 4.374 50 1 JIGF C[C@@H]1Oc2ccc([C@]3(CBr)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2NC1=O 587672554 GLKPDHDLDBENHX-NLQQUQSOSA-N 498.190 4.480 50 1 JIGF COc1cc2c(cc1OC)[C@](C)([C@H](C)SC#N)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963773409 CICZKBANTBMFAA-MQNRADLISA-N 463.559 4.271 50 1 JIGF N#Cc1cnn2c(Nc3ccc(Br)cc3)cc(CN(CCCl)CCCl)nc12 1772637622 OVVLDGVNXORBEV-UHFFFAOYSA-N 468.186 4.387 50 1 JIGF O=C(Cn1c2ccc(Br)cc2c2nc3ccccc3nc21)NNC(=O)NC1CCCCC1 1860810 WYTGXEYOXLDKQZ-UHFFFAOYSA-N 495.381 4.163 50 1 JIGF Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)NCCNC(=O)CCCC[C@@H]1CCSS1)O2 27427555 NEBNYACSMLWNQA-KOSHJBKYSA-N 480.696 4.348 50 1 JIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(NS(C)(=O)=O)cc2)([C@@H](C)Cl)N1 587839905 JEZKAPHPWJJNJG-HNYWDRBLSA-N 475.811 4.365 50 1 JIGF O=C1[C@@H]2Cc3nc[nH]c3[C@@](CCCCCCCl)(c3cccc(Cl)c3)N2C(=O)[C@@H]2CCCN12 963204164 LKOGPMQCSSPNLD-MZLICYQSSA-N 475.420 4.254 50 1 JIGF CCC[C@H](C[C@@H](OC(C)=O)[C@@H](Cl)Br)OC(=O)C(Br)Br 2356804876 ZMIXJOFTRLAWSP-NQMVMOMDSA-N 487.410 4.096 50 1 JIGF O=C(CCSCCC(=O)NN=Cc1cccc(Cl)c1)NN=Cc1cccc(Cl)c1 8617043 DAFMKJCOXBTDRJ-UHFFFAOYSA-N 451.379 4.107 50 3 JIGF CS(=O)(=O)N1CCCc2cc([C@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 587608950 UAPIRRDVVLALGS-DHLKQENFSA-N 499.972 4.200 50 1 JIGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1nc[nH]n1 587689542 UFWGPWGDCSOIOD-APBUJDDRSA-N 452.759 4.130 50 1 JIGF COc1cc2c(cc1OC)[C@@](CCl)(C(C#N)=C1N(C)c3ccccc3N1C)N(C)[C@H](C)C2 962626941 GILXASVLANTTNJ-CPJLOUKISA-N 452.986 4.336 50 1 JIGF CN1Cc2cc([C@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc2NC1=O 587541848 DLWFXEZORPYWDK-YKSBVNFPSA-N 450.878 4.465 50 1 JIGF CS(=O)(=O)[C@H](Br)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587606618 ILLZCZQDYRCDKW-YUXAGFNASA-N 489.343 4.015 50 1 JIGF Cn1cc(C(=O)N/N=C/c2ccc(F)cc2)c2cc(-c3nc(CN4CCOCC4)cs3)ccc21 1911571971 HBFYFLBWDGZIRK-UVHMKAGCSA-N 477.565 4.037 50 1 JIGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc3c(c2)OCO3)N1 587673673 PBZXIHWTKISLEY-XTZNXHDOSA-N 457.137 4.490 50 1 JIGF [C-]#[N+]CCN(C)C(=O)[C@@H]1CCc2c(sc3ncnc(Nc4ccc5nc(O)sc5c4)c23)C1 1772571527 SPAOKDIPEMGBFC-GFCCVEGCSA-N 464.576 4.233 50 1 JIGF COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H](Br)C(C)(C)OC)[nH]c3c2)cc1 586971348 QTKNQSIZSHJMLL-QGZVFWFLSA-N 468.373 4.233 50 1 JIGF CC(C)c1csc(-c2nnc(SCC(=O)N/N=C/c3ccc(O)cc3)n2-c2ccccc2)n1 103185001 VDIFPRGCSHAWOZ-WYMPLXKRSA-N 478.603 4.462 50 1 JIGF CCOC(=O)/C(C#N)=C/c1ccccc1-c1c(/C=C(\C#N)C(=O)OCC)cc(OC)c(OC)c1OC 103228582 GZFFZGGGJDTAPO-KVOOEGMKSA-N 490.512 4.320 50 1 JIGF CC(=O)NCCc1ccc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1F 587725540 QVQVUQDTFXNWQU-GTJPDFRWSA-N 471.773 4.423 50 1 JIGF CN(c1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1)S(C)(=O)=O 587369763 OOTGMTOXYAYLIZ-ISKFKSNPSA-N 489.952 4.420 50 1 JIGF COc1cc2c3c(c1)O[C@@](CBr)(c1ccc([N+](=O)[O-])cc1Br)[C@@H](C2)C3=O 587415417 RWJPPVXIDAXXFO-UGSOOPFHSA-N 483.112 4.404 50 1 JIGF C[C@H](Cl)[C@@]1(c2ccc3c(c2)NC(=O)CO3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587544912 PNPFRXYBNXVVMZ-DKEVXLODSA-N 451.862 4.208 50 1 JIGF O=C(O)c1ccc([C@]2(CBr)N[C@@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)cc1 963177200 JHMHYBIMKHEMDH-QAPCUYQASA-N 492.675 4.294 50 1 JIGF O=C(N/N=C/c1ccc2c(c1)OCO2)c1cc(-c2ccccc2)nn1Cc1ccc(Cl)nc1 40847925 RIZJFSNJHCVHEI-UVHMKAGCSA-N 459.893 4.139 50 1 JIGF COc1ccc(/C=N\NC(=O)Cn2c(CSc3ccccc3)nc3ccccc32)c(OC)c1 84587636 REHRSHXTTDVIIP-YSMPRRRNSA-N 460.559 4.496 50 1 JIGF CCCCCCC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(CO[Si](C)(C)C(C)(C)C)CO1 197291814 OHYPIFPQEYUPDQ-RLSLOFABSA-N 484.754 4.352 50 1 JIGF CC(=O)c1ccc2c(c1)[C@@]1(C=C(C(=O)Cl)Oc3ccccc31)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962623432 DOYZJWMVEXSPRV-SIBVEZHUSA-N 497.931 4.421 50 1 JIGF Cc1cc2nc(-c3ccc(C(=O)NNC(=S)Nc4ccc([N+](=O)[O-])cc4)cc3)[nH]c2cc1C 1857566081 ZSNKLYUEZAPCHE-UHFFFAOYSA-N 460.519 4.386 50 1 JIGF CCCCCCC[C@@H](CC1=C(C=CCCCC=CCO)C(=O)OC1=O)C1=C(C)C(=O)OC1=O 2356461767 STOJXMXLBFQITN-IBGZPJMESA-N 458.551 4.408 50 1 JIGF COc1cccc([C@]2(CBr)N[C@@H](C(=O)O)Cc3c(C(F)(F)F)cc(F)cc32)c1F 962690464 AMLUVASMZGVQQZ-KDOFPFPSSA-N 480.227 4.230 50 1 JIGF COc1ccc([C@H]2C(C#N)=C(N)[N+](c3ccc(S(N)(=O)=O)cc3)=C3CCCC[C-]32)c2ccccc12 55812582 NXGCPZGNKFRBSK-AREMUKBSSA-N 486.597 4.221 50 1 JIGF CC(=O)Oc1ccc([C@H]2NC(=O)C(C#N)=C(SCc3ccccc3)S2)cc1OC(C)=O 84596791 IMBKDOIJJQBWFT-NRFANRHFSA-N 454.529 4.067 50 1 JIGF CC(C)(C)OC(=O)N1C[C@H](Br)[C@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587544163 MXPFCRVENQGLGL-JKSBSHDWSA-N 476.323 4.107 50 1 JIGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2c[nH]c(C(=O)N3CCCC3)c2)N1 587683716 HSIKBTQOGLYLOI-YUNKPMOVSA-N 454.771 4.169 50 1 JIGF O=C(CCCCCCC(=O)Nc1ccccc1O)N/N=C/c1cc(Br)ccc1O 95808605 UTFCGLMJBQVMJG-OEAKJJBVSA-N 462.344 4.290 50 1 JIGF CN1C(=O)[C@@]23C[C@@H]4c5ccccc5N[C@@H]4N2C(=O)[C@@]1(CO[Si](C)(C)C(C)(C)C)SS3 170182246 JWECYLCXHJMUJF-CPUXHMLJSA-N 463.701 4.036 50 1 JIGF CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)C[C@@H]1O[Si](C)(C)C(C)(C)C 195515714 XTEPBIUQFMKCPD-GVDBMIGSSA-N 474.722 4.375 50 1 JIGF C[C@@H]1Oc2ccc([C@]3(CBr)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2NC1=O 587537833 KUGVBOPCOCTSEF-QDKFYKFOSA-N 496.313 4.364 50 1 JIGF Cn1cc([C@]2(CCl)c3scnc3C[C@H](C(=O)O)N2C(=O)OC(C)(C)C)c2ccccc21 963148231 PGZOCFMRDAMCMG-VGOFRKELSA-N 461.971 4.364 50 1 JIGF CS[C@H](C[C@@H]1C/C=C/C=C(\C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O1)C(=O)O 169355147 FKJWSHZWLPGKEH-QETXZJNJSA-N 495.682 4.341 50 1 JIGF CCCc1cc(=O)oc2c1c1c(c3oc(C(=O)NNC(=O)c4ccncc4)cc32)C=CC(C)(C)O1 299856474 IVTWFZUXTWEEKX-UHFFFAOYSA-N 473.485 4.146 50 1 JIGF Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(-c3nc4cc(C(=O)NN)ccc4[nH]3)cc2)c(C)c1C 586951582 ZHIITRSUIIZKIZ-UHFFFAOYSA-N 477.590 4.176 50 1 JIGF Cc1ccc(S(=O)(=O)C[C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587845498 AZKUATVXJXORCR-ORAYPTAESA-N 460.796 4.339 50 1 JIGF COc1ccc(/C=N\NC(=O)Cn2c(CSc3ccccc3)nc3ccccc32)cc1OC 84619102 MLVRTQMCIFUQDB-YSMPRRRNSA-N 460.559 4.496 50 1 JIGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cccc(C(=O)O)c2)N1 587672150 DBRKTXJSGDDVTI-YPMLDQLKSA-N 457.137 4.459 50 1 JIGF CC(C)[C@@H]1CC[C@H](O)[C@@H]2[C@@H]3[C@](C)(O)C(=O)C[C@H](Br)[C@]3(C)CC[C@]12CBr 2356682941 BIVHKSWAKLEJQJ-NIAMHMHLSA-N 480.281 4.314 50 1 JIGF C[C@@H](CBr)NS(=O)(=O)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 149983450 VCCBEVNXKXJYNV-NSHDSACASA-N 493.404 4.177 50 1 JIGF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccc(O[C@@H](C)C(=O)NN)cc1)CC2=O 587470454 NOWVIMZECNTXHK-CBZJRKILSA-N 460.530 4.011 50 1 JIGF O=C(NN=C1C[C@H](c2ccccc2)N[C@@H](c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 1772621161 MUMOGPKSBMJVAC-FGZHOGPDSA-N 459.462 4.455 50 1 JIGF COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccc(F)cc2)c2ccccc2)CC1 1857595238 UDYXSPVICNNUPJ-UHFFFAOYSA-N 491.611 4.267 50 1 JIGF C[C@](O)(CSc1ccc(NC(=O)CCl)cc1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 13554389 MRBABTVEAJIDRX-SFHVURJKSA-N 491.875 4.273 50 1 JIGF COc1ccc(C=NNC(=O)Cn2c(CSc3ccccc3)nc3ccccc32)cc1OC 299816696 MLVRTQMCIFUQDB-UHFFFAOYSA-N 460.559 4.496 50 1 JIGF CS(=O)(=O)c1ccc([C@]2(CSC#N)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587360504 ODQRMLOEPLQUSO-VWNXMTODSA-N 483.542 4.403 50 1 JIGF CN(c1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1)S(C)(=O)=O 587369765 OOTGMTOXYAYLIZ-UPVQGACJSA-N 489.952 4.420 50 1 JIGF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(c1ccccc1)[C@@H](Cl)C(=O)Nc1ccc2c(c1)OCO2 963614921 ZTZPPECBSDEPJX-OWMKWSJFSA-N 494.975 4.456 50 1 JIGF CCOc1ccc2c(c1)C(=O)c1c-2n(CCCBr)c(=O)c2cc([N+](=O)[O-])ccc12 28711211 ABVKNJFRUQGYPY-UHFFFAOYSA-N 457.280 4.305 50 1 JIGF O=C(CCl)NC[C@@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587544343 NSNBLBKEJWJCKR-OFNKIYASSA-N 458.297 4.258 50 1 JIGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1nc[nH]n1 587689339 RUMPPMYJCPGERH-GIGQVBGESA-N 452.759 4.130 50 1 JIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)([C@H]2CCCN2C(=O)C(F)(F)F)N1 587709918 OSXYBAMJUBGKCQ-OYBNVQJLSA-N 457.693 4.110 50 1 JIGF COc1ccc2c(c1)c(CCNC(C)=O)c1sc(C3=C(c4ccccc4)CC(=N)C(C#N)=C3N)nn12 64559213 BOSUZFMVXGXADP-UHFFFAOYSA-N 496.596 4.307 50 1 JIGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(I)cc1)O2 587387252 PDODBSPRWHYNOH-KRWDZBQOSA-N 472.120 4.437 50 1 JIGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)[C@@H]1COc2ccccc2O1 587538655 QZADNOFATNEGLS-SXWKCWPCSA-N 469.287 4.328 50 1 JIGF C[C@@H]1CC[C@H]2[C@@H](C)C(=O)N(NC(=O)c3ccc(C(F)(F)F)cc3)[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 169308361 KOJCQAJKICCUPY-NIUNIBNWSA-N 468.472 4.044 50 1 JIGF COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4cc(NC(=O)CCl)ccc41)[C@@H](C2)C3=O 587423266 UQXOHBWJTJJKFS-FNZWTVRRSA-N 459.885 4.108 50 1 JIGF COC(=O)C(=C1Nc2ccccc2N1)[C@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 587688993 OPKIMGKRALBTOG-WIUDPPPLSA-N 480.765 4.479 50 1 JIGF Cc1ccc(Oc2c(/C=N/NC(=O)Cn3c([N+](=O)[O-])cnc3C)c(C)nn2-c2ccc(C)cc2)cc1 1857596469 KWEQLHAWFWCRJL-UVHMKAGCSA-N 487.520 4.153 50 1 JIGF CCCCCCCCC1=C(O)C(=O)C2=C(OC(N)=C(C#N)[C@H]2c2ccc([N+](=O)[O-])cc2)C1=O 1857773933 LEVZILJLLOEFMI-GOSISDBHSA-N 451.479 4.371 50 1 JIGF C[C@H](Oc1ccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1)C(=O)NN 587576389 GROIXPBHCBYHGF-DGSCHONISA-N 496.519 4.055 50 1 JIGF COc1ccc(-n2cc(CO[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)nn2)cc1 1857613094 RUWDPQFGCXIPHP-QGJJHSLGSA-N 471.554 4.001 50 1 JIGF N#CC(C#N)=C1C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccc(S(=O)(=O)N3CCCC3)cc21 40918089 YMJGKYJHZYOMPL-UHFFFAOYSA-N 487.368 4.125 50 1 JIGF N#C[C@H](C(=O)NCc1ccccc1)[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587324237 PTUVQTWDAHRQGZ-VIICAESSSA-N 478.907 4.324 50 1 JIGF COc1cc2c3c(c1)O[C@](c1ccc([N+](=O)[O-])cc1)([C@H](Cl)C(=O)Nc1ccccc1)[C@@H](C2)C3=O 587418803 VJDABWPTFYJEGO-CYSDGLOUSA-N 478.888 4.492 50 1 JIGF C=C1C[C@H]2O[C@@H]([C@@H]3[C@H](C(C)C)[C@H](O)C[C@](C)(OC(C)=O)[C@H]23)[C@@](C)(OC(=O)CCC)CC[C@@H]1OO 2356536069 OMSNLYUISSVECK-HSKIYVRMSA-N 482.614 4.045 50 1 JIGF Cc1ccc(-c2cs/c(=N/NC(=O)CSc3nnnn3-c3ccccc3)n2-c2ccccc2)cc1 103241821 MAOQDUSYURCAJH-SOYKGTTHSA-N 499.625 4.214 50 1 JIGF CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](n2ccc(N)nc2=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C#N 195225441 WMSIRCDICHBPAB-KCITZHQASA-N 480.758 4.275 50 1 JIGF Cc1cc(F)c([C@@]2(CCl)c3scnc3C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C)cc1F 963144814 MOXYDZCQBCMLPN-YWZLYKJASA-N 458.914 4.459 50 1 JIGF COc1cc([C@H]2C(C#N)=C(N)Oc3c2ccc2nc(C)c(C)nc32)cc(Br)c1OC 40587752 FSVHVXRWWUBWHG-GOSISDBHSA-N 467.323 4.245 50 1 JIGF COc1ccc2cc([C@H](C)C(=O)Oc3cc(O/N=[N+](\[O-])N(C)C)c([N+](=O)[O-])cc3[N+](=O)[O-])ccc2c1 44247149 KIISNOLZYLGPIO-MEXBOGOASA-N 499.436 4.107 50 1 JIGF CC(=O)Oc1ccc([C@@H]2NC(=O)C(C#N)=C(SCc3ccccc3)S2)cc1OC(C)=O 84596790 IMBKDOIJJQBWFT-OAQYLSRUSA-N 454.529 4.067 50 1 JIGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCCCCCOC(=O)CCC(=O)O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 84757831 XGKKTDHPCTWQSE-CDPQPAMJSA-N 484.586 4.179 50 1 JIGF Cc1c(/C(=N/NC(N)=O)c2ccccc2)nnc2c3c(-c4ccccc4)c(-c4ccccc4)nnc3nn12 28380280 UUIARKXLRXQSOR-WGPBWIAQSA-N 499.538 4.131 50 1 JIGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@H](C)[C@H](C)C(=O)O)C/C=C/C=C(\C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 169355082 ZYDRORLSVFUCAK-OBMLXSBCSA-N 477.642 4.491 50 1 JIGF Oc1ccc2c3c1O[C@H]1[C@H](OCc4ccc(N=C=S)cc4)CC[C@@]4(O)[C@H](C2)N(CC2CC2)CC[C@@]314 36221381 MQXHRAHADPPNRD-ZZDJCMGHSA-N 490.625 4.276 50 1 JIGF CC(=O)O[C@H]1C[C@@](C)(Cl)[C@H](Br)C[C@@H]1[C@]1(C)OC(C)(C)[C@@H](Br)C[C@@H]1O 49780493 TXUIEJDHDWIUIB-NCIZBFQTSA-N 490.660 4.171 50 1 JIGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H](C[C@H](C)C(=O)O)C/C=C/C=C(\C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 169355133 RLHYVCYVLRHHCK-ZIRKGOCKSA-N 463.615 4.245 50 1 JIGF Cc1ccc2c(c1)[C@@]1(C(C=O)=C(N)O2)c2ccc3c(c2CCN1C(=O)OC(C)(C)C)NCCC3 961751997 UNGILWQTMQVXIB-HHHXNRCGSA-N 461.562 4.152 50 1 JIGF O=C(CCCCCNC(=O)OCc1ccccc1)O[C@@H](Br)CBr 169336846 LFGUDJNBOZQLBP-CQSZACIVSA-N 451.155 4.132 50 1 JIGF CCOC(=O)[C@@H]1CCC[C@H](Br)[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587542324 GOBDJYXTEOHMFV-GQAKTHPZSA-N 461.308 4.219 50 1 JIGF C[C@H](Cl)[C@]1(c2ccc(NS(C)(=O)=O)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587839908 JEZKAPHPWJJNJG-UYSIFFEZSA-N 475.811 4.365 50 1 JIGF COc1cc(C(=O)c2cc3c(NC(=O)CI)cccc3o2)cc(OC)c1OC 653798254 STKJGVUKIUVDMM-UHFFFAOYSA-N 495.269 4.063 50 1 JIGF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@@](CCl)(c3c[nH]c4nccc(Cl)c34)N12 962646028 SKYSSCDRQSJIEQ-GOTSBHOMSA-N 455.345 4.346 50 1 JIGF CC(C)c1nn(C)c2c1[C@@](CBr)(c1ccc(F)c(Br)c1F)NCC2 962916647 CYDQLKAYCZXPBQ-QGZVFWFLSA-N 463.164 4.368 50 1 JIGF O=C(CN(CCCl)CCCl)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccc(Cl)cc1 103169035 VWXDADBWBNLOFE-UHFFFAOYSA-N 458.729 4.197 50 1 JIGF COc1cc2c(cc1OC)[C@]1(C[C@@H]2NC(=O)CCl)c2ccsc2CCN1Cc1cccnc1 962994734 LTMKORQEUBTFPE-CPJSRVTESA-N 484.021 4.262 50 1 JIGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](CBr)(c2ccc3c(c2)NC(=O)[C@@H](C)O3)N1 962941409 DTUJBQWMUKHDTH-NHBFPYQTSA-N 454.368 4.450 50 1 JIGF CCCCCC[C@H](C)C=C(C)C=CC(=O)N[C@@H]1C[C@]2(C=C(Cl)C(=O)[C@H](Cl)[C@H]2O)O[C@@H]1OC 2356380444 HCHKYWWJMUJBHB-RQERMENOSA-N 488.452 4.386 50 1 JIGF COC(=O)C(=C1Nc2ccccc2N1)[C@@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21 587689574 URMGYZJFGADNOJ-FIKIJFGZSA-N 480.765 4.479 50 1 JIGF NNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 43024538 VWRIXWVZQNVZKJ-KYRCVXBYSA-N 468.601 4.034 50 1 JIGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(S(=O)(=O)N3CCCCC3)cc1)O2 587408492 HAHFKKBUNLHCOB-QFIPXVFZSA-N 493.423 4.007 50 1 JIGF Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1[C@@H]1CCS(=O)(=O)C1 587532802 SRZIFOUQKBXCNH-HOYKHHGWSA-N 462.011 4.443 50 1 JIGF N#C[C@H](C(=O)NCc1ccc(Cl)cc1)[C@@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587545386 RKDNHUDKRBZTJW-DHTSOJEISA-N 497.334 4.441 50 1 JIGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CNC(=O)CCl)(c2ccc(Cl)cc2)N1 587684951 NFHQGNGSORWJRQ-JEOXALJRSA-N 460.174 4.374 50 1 JIGF Cc1cc(C)c2c(=O)c(/C=N/NC(=O)c3ccc(C(=O)O)c(-n4c(C)ccc4C)c3)coc2c1 219921156 FNFMELCWYIEIOC-KKMKTNMSSA-N 457.486 4.279 50 1 JIGF CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OC(C)(C)C)C[C@H]1Br)CC2=O 587457657 ABCMANDWNIFKIR-DYESRHJHSA-N 454.361 4.453 50 1 JIGF C[C@@H]1CCCCN1C(=O)Cc1ccc(/C=N/NC(=O)c2ccc(O)c(C#N)c2)c2ccccc12 13492708 WOYOBZXISFCRDD-SVMUSQEWSA-N 454.530 4.124 50 1 JIGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc(N(CC)S(C)(=O)=O)cc1)CC2=O 587490910 ZYIVNDUOAYPEJC-QFIPXVFZSA-N 451.972 4.230 50 1 JIGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCCOc3c(O)cccc3O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 38158708 NFMYWFCBNVOHFN-PLHRZZKCSA-N 450.528 4.091 50 1 JIGF N/C(CCl)=N/CCC[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)NCc1ccccc1 199566113 OMRGEFBYEYPGEZ-DEOSSOPVSA-N 477.008 4.145 50 1 JIGF Nc1ccc2c(c1)N(C(=O)CCCC(=O)N1C[C@H](CCl)c3ccc(N)cc31)C[C@@H]2CCl 1858689 YSHVFLMRNJXNHK-GJZGRUSLSA-N 461.393 4.060 50 1 JIGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc2c(c1)OCO2 587538645 QVHZEDUHIZJUOD-SIKLNZKXSA-N 455.260 4.373 50 1 JIGF O=C(CN(/N=C/c1cccc(Cl)c1)C(=O)c1ccncc1)N1CCN(c2cccc(Cl)c2)CC1 28130175 UFDKLDAQFOEVQA-STBIYBPSSA-N 496.398 4.214 50 1 JIGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H](C[C@@H](C)C(=O)O)C/C=C/C=C(\C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 169359517 RLHYVCYVLRHHCK-DTOIYVNUSA-N 463.615 4.245 50 1 JIGF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(N3CCN(C(=O)CCl)CC3)c(F)c1)CC2=O 587465224 BYKUZHXHDXJAOF-RUZDIDTESA-N 474.960 4.252 50 1 JIGF CCN(c1ccc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1)S(C)(=O)=O 587839673 HVLJVBBFVFHHPX-XCLFUZPHSA-N 489.838 4.391 50 1 JIGF COc1cc(N[C@@H](C)CCCNC(=O)NNC(=O)/C=C/c2ccccc2F)c2ncccc2c1 1857746205 RMKLTTCOUITJGP-FLVLSHQESA-N 465.529 4.007 50 1 JIGF Oc1ccc2c3c1O[C@@H]1c4[nH]c5ccc(N=C=S)cc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 36269753 PHACSLSFPGYKLR-ORZNUPDKSA-N 471.582 4.307 50 1 JIGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)[C@@H]1COc2ccccc2O1 587538653 QZADNOFATNEGLS-JTAQYXEDSA-N 469.287 4.328 50 1 JIGF CSCC[C@H](N)CSSC[C@@H](Cc1ccccc1)C(=O)NCC(=O)OCc1ccccc1 13891030 IYIFMGRMLFAEMX-YADHBBJMSA-N 492.732 4.167 50 1 JIGF COC(=O)[C@@H]1C[C@H](O[Si](C)(C)C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C 170067885 BWXMOBMYRUQCGA-WFOQEEKOSA-N 462.615 4.289 50 1 JIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)([C@@H](Br)S(C)(=O)=O)N1 587850863 SXTHSNUODVECBG-VQTKTOELSA-N 491.220 4.132 50 1 JIGF Cc1ccc([C@@]2(CBr)c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)cc1F 962657558 CFWZOEVXNDAHNE-PKTZIBPZSA-N 457.343 4.419 50 1 JIGF CCC(=O)N(c1ccccc1)C1CCN(CCc2ccc(NC(=O)CBr)cc2)CC1 29331856 BJAUVSZJAWLQJQ-UHFFFAOYSA-N 472.427 4.470 50 1 JIGF CCCCCC[C@@H](C)/C=C(C)/C=C/C(=O)N[C@H]1C[C@]2(C=C(Cl)C(=O)[C@H](Cl)[C@H]2O)O[C@H]1OC 38749452 HCHKYWWJMUJBHB-NBSJDVKISA-N 488.452 4.386 50 1 JIGF COC(=O)[C@]1([C@@H](Br)C(=O)c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587669248 CIEKSLOJTLOFPC-SLIIYKDFSA-N 499.174 4.137 50 1 JIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(N(C)S(C)(=O)=O)cc2)N1 587840858 NJFVDFLPBRXTHT-CWTRNNRKSA-N 475.811 4.001 50 1 JIGF COCCCN1CCc2ccc(OC)cc2[C@]1(CBr)c1c(OC)cc(OC)cc1OC 961324740 NTCPVEJNYCXCLL-XMMPIXPASA-N 494.426 4.254 50 1 JIGF COC1=CC(C)=C2O[C@]3(C[C@]2(OO)C1=O)[C@H](O)CC[C@@H]1[C@]2(C)CC[C@H](O)C(C)(C)[C@@H]2CC[C@]13C 2356333990 YSWYEMBQVGXRLL-JOZJMNJZSA-N 476.610 4.135 50 1 JIGF O=C([C@@H]1NN2[C@H](N[C@H](c3cccs3)C[C@@H]2C(F)(F)F)[C@@H]1Cl)N1CCC[C@H]2CCCC[C@@H]21 254046397 CRMJZPWOTGBJOQ-QJFAJIJWSA-N 476.996 4.017 50 1 JIGF CC(=O)O[C@@H]1C[C@](C)(Cl)[C@H](Br)C[C@@H]1[C@]1(C)OC(C)(C)[C@H](Br)C[C@@H]1O 2356580358 TXUIEJDHDWIUIB-PTZFHPSWSA-N 490.660 4.171 50 1 JIGF CC(=O)OCC(=O)[C@]1(O)[C@@H](C)C[C@H]2[C@@H]3CC[C@H]4CC(=O)[C@@H](Br)C[C@]4(C)[C@H]3CC[C@@]21C 2356732845 AEDZUDVIFQHWGD-XYYJVDSQSA-N 483.443 4.081 50 1 JIGF COc1ccc([C@H]2CC(c3ccc(OC)c(OC)c3)=NN2C(=O)[C@@H](C)Br)c(OC)c1 43060940 VLTTVRKTIQTJDZ-FZKQIMNGSA-N 477.355 4.182 50 1 JIGF CCCCCCCCNC(=O)/C(C#N)=C/c1c(C)n(CC(=O)N2CCOCC2)c2ccccc12 95594248 GJLIAXARMGFBFA-RELWKKBWSA-N 464.610 4.192 50 1 JIGF C/C(=N\NC(=O)c1snnc1C(F)(F)F)c1ccc(Br)cc1Br 103183020 VCRBZEVWRXDCPW-BLLMUTORSA-N 472.084 4.236 50 1 JIGF NC(=O)CCc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587324795 AAKNJODVVWWOCD-ILBGXUMGSA-N 453.897 4.442 50 1 JIGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n([C@H]3CCS(=O)(=O)C3)c1C)CC2=O 587493994 VLUZYMJSOXRZOT-QMHKHESXSA-N 465.999 4.222 50 1 JIGF CC(=O)Nc1ccc([C@]2([C@@H](C)Cl)N[C@@H](C(=O)O)Cc3c(C(F)(F)F)cc(F)cc32)cc1 962703134 HVFIJQDLCYRVHA-COSYQWLLSA-N 458.839 4.273 50 1 JIGF CCN1Cc2cccc(C(=O)N[C@@H](CCCNC(=N)CCl)c3nc4ccccc4n3CC)c2C1=O 1857753455 HTXQHBKBMPOGFX-FQEVSTJZSA-N 495.027 4.089 50 1 JIGF Cc1ccc(-c2cc(C=NNC(=O)c3cnn(-c4ccccc4)c3N)n(-c3ccccc3)n2)cc1 957994847 ZHNNGFUKJVRELN-UHFFFAOYSA-N 461.529 4.380 50 1 JIGF COc1ccc(-c2nnc(-c3ccc(C(=O)N/N=C/c4ccc([N+](=O)[O-])cc4)cc3)o2)c(OC)c1 473247760 HMRQAALRWVPKGF-AFUMVMLFSA-N 473.445 4.093 50 1 JIGF Cc1cc2c(NC(=O)CCl)cccc2n1-c1nc2c(c(=NCc3ccccc3)[nH]1)COCC2 1857612844 CEPRFGCNMNKYJF-UHFFFAOYSA-N 461.953 4.013 50 1 JIGF Cc1cc([C@@]2(CCl)N[C@H](C(=O)O)Cc3c(C(F)(F)F)cc(F)cc32)c(C)n1-c1ccon1 962714815 VWLNQBYAPSFXDW-FXAWDEMLSA-N 471.838 4.321 50 1 JIGF O=C(CC[S@@](=O)Cc1ccco1)NNC(=O)N1Cc2ccccc2Oc2ccc(Cl)cc21 27556416 HYKFEQPXQAUXPX-YTTGMZPUSA-N 473.938 4.125 50 1 JIGF O=C(NNC(=O)c1ccccc1Nc1ccc2c(/C=C/c3ccccn3)[nH]nc2c1)c1cccnc1 1772639136 JVZNXCRLXIFSKU-ACCUITESSA-N 475.512 4.342 50 1 JIGF CCCCCC[C@H](C)C=C(C)C=CC(=O)N[C@@H]1C[C@H](OC)O[C@@H]2[C@H](Cl)C(=O)C(Cl)=C[C@]21O 2356469148 BQBNTNYXQBYKTD-HSMSAZABSA-N 488.452 4.386 50 1 JIGF COc1cc2c3c(c1)O[C@](CBr)([C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O 587412706 JVPQNYGTSGDFFM-KHJUTWJGSA-N 466.372 4.223 50 1 JIGF O=C(N/N=C/c1cc(Br)cc(Br)c1O)c1ccc(OC(F)F)cc1 1857557496 PPZSWGQJYOKZQT-IFRROFPPSA-N 464.060 4.283 50 1 JIGF O=C(N/N=C/c1ccc(Br)cc1O)c1cc(Br)cc(Br)c1O 1857604004 HYSRPZZIVXHKPM-NGYBGAFCSA-N 492.949 4.149 50 1 JIGF C/C(=N\NC(=O)c1cc(Br)ccc1O)c1cc2cc(I)ccc2[nH]1 95563232 NURICGABJZQYIP-ZVBGSRNCSA-N 498.118 4.395 50 1 JIGF CCN(c1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1)S(C)(=O)=O 587608995 UFSNNUBHHFMIFY-QPPBQGQZSA-N 487.961 4.274 50 1 JIGF COc1ccc(Br)cc1[C@@]1(CBr)NC[C@H]2CC(=O)N(C)c3cccc1c32 963037653 VSAAAPCNWOVFQE-ODXCJYRJSA-N 480.200 4.150 50 1 JIGF COc1ccccc1C(=O)[C@H](Cl)[C@]1(c2ccccc2OC)N[C@H](C(=O)O)Cc2cccc(F)c21 962899124 OGGMDJRFPCKEPW-VFHOHQAYSA-N 483.923 4.176 50 1 JIGF Cc1cc2c(cc1O)[C@@H](c1ccccc1P(c1ccccc1)c1ccccc1)N[C@H](C(=O)O)C2 963508690 LFRULVVAVNTBDZ-LBNVMWSVSA-N 467.505 4.147 50 1 JIGF C[C@@H]1Oc2ccc([C@@]3(CBr)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2NC1=O 587537835 KUGVBOPCOCTSEF-VKTBLYMOSA-N 496.313 4.364 50 1 JIGF COc1cc(C(=O)c2cc3cccc(NC(=O)CI)c3o2)cc(OC)c1OC 653806275 MDQGHHOWYANHLN-UHFFFAOYSA-N 495.269 4.063 50 1 JIGF COc1cc([C@@]2(CBr)c3cc(OC)c(OC)cc3C[C@@H](C)N2C)c(F)cc1O 962640851 RXYXRPBLLGZXGY-XUSGNXJCSA-N 454.336 4.072 50 1 JIGF O=C(O)[C@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@@](CCl)(Cc2cc(O)nc3ccccc23)N1 962718033 YFOHOZCHXZJSNK-NQIIRXRSSA-N 468.834 4.374 50 1 JIGF COc1ccccc1C(=O)NNC(=O)c1ccc2c(c1)CO[C@]2(CCCN(C)C)c1ccc(F)cc1 1857759687 RPYQPDGWNFKMTF-MUUNZHRXSA-N 491.563 4.025 50 1 JIGF O=C(CCl)Nc1sc2c(c1Cc1nnc(S)n1NC(=O)c1ccc(Cl)cc1)CCCC2 72175121 QEYLUQTVGIUEHV-UHFFFAOYSA-N 496.445 4.313 50 1 JIGF CCOCCOC(=O)/C(C#N)=C(\NCc1cc(-c2ccc(Cl)cc2Cl)no1)SC 103220932 GFWMGBLYRDTXRH-OBGWFSINSA-N 456.351 4.416 50 1 JIGF C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)C2=CC[C@H](Br)C=C2)c1 166937087 AKYGBXZKHJOPDB-RHSMWYFYSA-N 492.377 4.490 50 1 JIGF COc1cc2c3c(c1)O[C@](CCl)(c1ccc4c(c1)CCN(C(=O)C(F)(F)F)C4)[C@@H](C2)C3=O 587419449 GFYWSZHDIHQRPC-HTAPYJJXSA-N 465.855 4.024 50 1 JIGF CCOC(=O)c1[nH]c2cc(Cl)ccc2c1/C=N/NC(=O)CSc1nc2ccccc2[nH]1 1857580896 GTEKSZQZPVEHBT-AUEPDCJTSA-N 455.927 4.117 50 1 JIGF Cc1c(C(=O)N/N=C/c2ccco2)nnc2c3c(-c4ccccc4)c(-c4ccccc4)nnc3nn12 28379838 ZWYDCLJSPMLOPZ-JFLMPSFJSA-N 474.484 4.067 50 1 JIGF COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(Br)ccc32)cc(Br)c1OC 34394699 JKZHSKUBNLYRBE-INIZCTEOSA-N 466.129 4.447 50 1 JIGF O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCC2(CC1)OOC1(OO2)C2CC3CC(C2)CC1C3 43617545 BOWDQJYDKMRGAI-UHFFFAOYSA-N 489.512 4.249 50 1 JIGF Oc1ccc2c3c1O[C@H]1[C@H](OCc4ccccc4N=C=S)CC[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@@]314 100729971 ASQKMNDCAVTNOQ-UXWAOUJDSA-N 490.625 4.276 50 1 JIGF CN1C(=O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(O)C#CCCI)[C@@H]3CC[C@@H]12 3799365 MVORGJNGNGLACY-WNGCJKCESA-N 483.434 4.409 50 1 JIGF CCOC(=O)N1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@H](Br)C1 587324086 OVERKFLNTGVAPE-KNKQGSTJSA-N 478.314 4.255 50 1 JIGF Cc1ccnc(NCCCCC(=O)NNC(=O)C[C@H](CC(=O)O)c2cc(Cl)cc(Cl)c2)c1 13472611 YQIZMAFWDNCDLY-MRXNPFEDSA-N 481.380 4.075 50 1 JIGF O=C(NNc1ccccc1)c1c(N/C(O)=N/S(=O)(=O)c2ccccc2)sc2c1CCCCC2 45286149 WWQYCYSNJIRQOD-UHFFFAOYSA-N 484.603 4.489 50 1 JIGF C/C(NNC(=O)c1cccc(C(=O)O)c1)=C1/C(=O)N(c2ccc3c(c2)CCC3)c2ccccc21 58581341 BEQJKZSLKKIGNN-JLPGSUDCSA-N 453.498 4.217 50 1 JIGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 587009562 LHGQKTGVMHMYFV-INIZCTEOSA-N 475.730 4.144 50 1 JIGF CCOC(=O)[C@@H]1CCC[C@H](Br)[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587685910 URXAFQXOHUHJMK-UGQMMMICSA-N 463.185 4.444 50 1 JIGF COc1ccc2c(c1)[C@]1(C(C=O)=CO2)c2c(C)cccc2C[C@H](CC(=O)O)N1C(=O)OC(C)(C)C 963856281 WLAMMLXCUSJSFT-XHCCPWGMSA-N 479.529 4.359 50 1 JIGF Cc1ccccc1C(=O)NNC(=O)c1ccc2c(c1)CO[C@]2(CCCN(C)C)c1ccc(F)cc1 1857638745 HOAKEDYWJYTYOQ-MUUNZHRXSA-N 475.564 4.325 50 1 JIGF Cc1cc(/C=C/C#N)cc(C)c1Oc1cc(Nc2ccc(C#N)cc2)c(N)cc1S(N)(=O)=O 95554627 LJQPPUAAWUBQQT-ONEGZZNKSA-N 459.531 4.477 50 1 JIGF CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@H](SSc2ccc([N+](=O)[O-])cn2)CC[C@@H]3[C@H]1C5 169306828 RAEKUJQUZFRYFZ-AWHRALLVSA-N 457.577 4.174 50 1 JIGF CC(=O)NNCc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1 28101630 KTYNKAIXVXBDAA-UHFFFAOYSA-N 472.332 4.034 50 1 JIGF COC(=O)[C@@H]1[C@@H](c2ccc(I)cc2)C[C@H]2CC[C@H]1N2CCCBr 100761569 NBDQDRSEYYQZOF-QBPKDAKJSA-N 492.195 4.186 50 1 JIGF Oc1ccc2c3c1O[C@@H]1c4[nH]c5ccc(N=C=S)cc5c4C[C@]4(O)[C@@H](C2)N(CC2CC2)CC[C@@]314 136882750 PHACSLSFPGYKLR-YFVWJHKLSA-N 471.582 4.307 50 1 JIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CN(C(=O)OC(C)(C)C)C[C@H]2Br)N1 587679161 FIFBRTOBSZPTLZ-AJAPIDPKSA-N 478.200 4.332 50 1 JIGF O=C(CCN1CCN(c2ccnc3cc(Cl)ccc23)CC1)N/N=C/c1cccc(Cl)c1 103248307 DHWGTXMAYILJMA-JVWAILMASA-N 456.377 4.204 50 1 JIGF CCCc1c(O)ccc2c1O[C@](CCl)([C@@H](C#N)C(=O)NCc1ccc(Cl)cc1)CC2=O 587457850 COZYYKYTDPZNIC-FDDCHVKYSA-N 461.345 4.397 50 1 JIGF CC[C@]1(CBr)c2cc(OC)c(OC)cc2CCN1C(=O)C(=O)c1c[nH]c2ccccc12 963780352 YDYTXTGIXRXTQK-DEOSSOPVSA-N 485.378 4.453 50 1 JIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cccc(C(=O)O)c2)N1 587672148 DBRKTXJSGDDVTI-MLCYQJTMSA-N 457.137 4.459 50 1 JIGF COc1cc([C@@]2(C)N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)ccc1OCCCCl 962983717 ZFLNMEVSJJGDNU-QVKFZJNVSA-N 460.304 4.497 50 1 JIGF CS(=O)(=O)[C@@H](Br)[C@@]1(c2ccccc2)c2ccsc2CCN1Cc1cccnc1 963000600 VUMXKYCWLZOINP-NHCUHLMSSA-N 477.449 4.211 50 1 JIGF COc1ccc(NC(=O)NCCO[C@H]2O[C@@H]3O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)cc1 98082719 WVGXESGJQIBARB-YMLBQFOISA-N 476.570 4.041 50 1 JIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CN(C(=O)OC(C)(C)C)C[C@@H]2Br)N1 587679486 GGQVCSQSFVVQOV-LOTHZSBOSA-N 478.200 4.332 50 1 JIGF COC(=O)[C@@H]1[C@@H](c2ccc(I)cc2)C[C@@H]2CC[C@@H]1N2CCCBr 169373368 NBDQDRSEYYQZOF-VVLHAWIVSA-N 492.195 4.186 50 1 JIGF CCOC(=O)c1cc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)on1 587321382 JNWFSKUIQJKFEY-DENIHFKCSA-N 490.281 4.345 50 1 JIGF CC1=CC[C@@]23OC(C)(C)[C@H](Cl)C=C2C(=O)c2c(cc(O)c(c2O)CC(CO)=CCC1)C3=O 2356712650 JSUXCYMEGPVLPJ-KBMIEXCESA-N 458.938 4.150 50 1 JIGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CC[C@H]2C(=O)O)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 255195868 AOKPUKQFVXDBSJ-LHUYMUDPSA-N 475.626 4.245 50 1 JIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@H](Br)S(C)(=O)=O)N1 587850862 SXTHSNUODVECBG-HWOJHCLVSA-N 491.220 4.132 50 1 JIGF CC(C=O)=C[C@H](C)[C@@H]1CC(C)=CC=CCC[C@H](OC(=N)O)[C@@H](O)C=C[C@@H](O)CCCC=CC(=O)O1 2356542307 XKGDMUIDORFBTK-KEOOTSPTSA-N 489.609 4.248 50 1 JIGF CCCCCC[C@H](C)C=C(C)C=CC(=O)N[C@@H]1CO[C@@H]2[C@H](Cl)C(=O)C(Cl)=C[C@]2(O)C1 2356604745 FOYHOCBUHQKEDQ-ICJSJETDSA-N 458.426 4.413 50 1 JIGF CC1(C)OC2=C(C(=O)C(=O)c3ccccc32)[C@H](n2cc(-c3ccc(F)cc3)nn2)[C@H]1Br 49070225 NRONRYWDUHRKEF-PGRDOPGGSA-N 482.309 4.374 50 1 JIGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CC[C@H]2C(=O)O)C/C=C\C=C(/C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 169355085 AOKPUKQFVXDBSJ-QBBGOHGYSA-N 475.626 4.245 50 1 JIGF COc1ccc(OC)c2c1C[C@@H](C)N[C@]21C(Cl)=C(NC(=O)C(Cl)Cl)C(=O)c2ccccc21 963642409 YQAQRMOJLPUDRA-BGJPBQGDSA-N 495.790 4.048 50 1 JIGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OCCn3nnc4c3-c3ccccc3CC4)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1772647409 HADLQSWHINBGFT-JHNSQULLSA-N 481.593 4.268 50 1 JIGF COC(=O)c1c(C)nc(NNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)nc1-c1ccccc1F 1857750063 YXQCDLHPDDIMHO-UHFFFAOYSA-N 497.486 4.129 50 1 JIGF CC1=C(O)N(c2ccccc2)/C(=C(/C#N)C(=O)N/N=C(/C)c2ccc(N3CCOCC3)cc2)S1 96927936 UPBFOXHTBNNBLW-VVPVOVBMSA-N 475.574 4.099 50 1 JIGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2c[nH]c(C(=O)N3CCCC3)c2)N1 587685310 PQRCEYHXSUNMPC-FKIZINRSSA-N 454.771 4.169 50 1 JIGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1nc[nH]n1 587689545 UFWGPWGDCSOIOD-OVWNDWIMSA-N 452.759 4.130 50 1 JIGF COc1ccc(C[C@H]2C[C@@H](n3cc(C)c(O)nc3=O)O[C@@H]2CO[Si](C)(C)C(C)(C)C)cc1OC 1772626627 KYSHAVOTBZKYGN-BWAGFHJFSA-N 490.673 4.443 50 1 JIGF C[C@@H]1[C@H](CO)C[C@H]2CC3=C4CCC[C@]5(CCNC(=N)N5)CSSCC[C@@]2(C)[C@]31CC4=O 2356774565 ARLRMZJBOIITDX-CDBBBHKJSA-N 463.713 4.129 50 1 JIGF CN1[C@@H]2CC[C@@H]1[C@@H](C(=O)OCCc1ccc(N=C=S)cc1)[C@@H](OC(=O)c1ccccc1)C2 100645181 YFNOQEKRUIFWNP-BXXSPATCSA-N 450.560 4.215 50 1 JIGF CN(C)c1ccc(C(=O)N[C@@H](CCCCCB(O)O)C(=O)Nc2cccc(-c3ccccc3)c2)cc1 195110775 ZCAVTKSCFNIZET-SANMLTNESA-N 487.409 4.190 50 1 JIGF CS(=O)(=O)N1CCCc2cc([C@@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 587530335 CAXARKPXSMRJJZ-DEOSSOPVSA-N 459.995 4.377 50 1 JIGF CCN(Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)s1)C(=O)CCl 587897917 ZVFRJVFDHIEBLI-UHFFFAOYSA-N 457.810 4.353 50 1 JIGF NNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1cccc(F)c1)[C@@H](c1ccccc1)CCC3 28354334 LTNLYAJFXVUNRF-QGZVFWFLSA-N 480.590 4.137 50 1 JIGF CCOCCOC(=O)/C(C#N)=C(\N[C@H](c1ccccc1F)P(=O)(OCC)OCC)SC 103210793 HPUQNGLIXISQNA-BDBAMQCISA-N 474.491 4.358 50 1 JIGF O=C(N/N=C/c1cc(Br)ccc1O)c1ccc(Br)c(Br)c1 1857567554 GPEVSJRFTALHQV-CNHKJKLMSA-N 476.950 4.444 50 1 JIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H](Cc2ccccc2)NC(=O)CCl)N1 587685856 RVBWIYOJIFERPC-WHIIXXIBSA-N 453.783 4.304 50 1 JIGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc2c(c1)OCCO2 587537141 AZJKYCVQNCNYDO-OFNKIYASSA-N 469.287 4.415 50 1 JIGF CC(C)[C@@H]1C=C[C@H](OO)[C@@H]2[C@H]3[C@](C)(CC[C@@]12CBr)[C@@H](Br)C[C@@H](O)[C@@]3(C)O 2356604233 SLASZMTUABGCGQ-XOQSSQPGSA-N 496.280 4.380 50 1 JIGF C[C@]12C=C3C(=O)O[C@H](c4ccccc4Br)C[C@@]3(OO1)O[C@H]2c1ccc([N+](=O)[O-])cc1 96934091 RHPHEJQZMPXNFE-MMKMLUHNSA-N 474.263 4.460 50 1 JIGF CCS(=O)(=O)N1CCc2cc([C@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 587533794 VRFREJXWBGEGAE-XMMPIXPASA-N 459.995 4.377 50 1 JIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)([C@@H]2CCCN2C(=O)C(F)(F)F)N1 587711339 WTRBPFKNKQQWDM-RCAYSMOQSA-N 457.693 4.110 50 1 JIGF O=C1COc2ccc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2N1 587328145 TVBWFJXMESTENO-ISKFKSNPSA-N 453.853 4.355 50 1 JIGF C=C1CC[C@@H]2C([C@H](OC(C)=O)[C@H](C=C(C)C)OC(C)=O)=CO[C@H](OC(C)=O)[C@@H]2C(=C)CC[C@@H]1OO 2356421388 HVAHZTRJIMZNBH-BPPSHBPSSA-N 492.565 4.396 50 1 JIGF O=C(NCCNc1ccnc2cc(Cl)ccc12)N/N=C/c1ccc(O)c(CN2CCCCC2)c1O 14980212 YMJAVBBWEFUCHD-FJEPWZHXSA-N 496.999 4.031 50 1 JIGF CC(C)C(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(F)[C@@H](O)C[C@]21C 299812804 WPTAKIAMKZCANU-FJZNWGSWSA-N 481.004 4.349 50 1 JIGF COc1ccc2c3c1O[C@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@@]42C=C[C@@]1(OC)[C@H]([C@H](C)N=C=S)C2 100660546 CBPASLHMRDUOQC-OWBMVALCSA-N 464.631 4.187 50 1 JIGF CN(c1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1)S(C)(=O)=O 587369764 OOTGMTOXYAYLIZ-LADGPHEKSA-N 489.952 4.420 50 1 JIGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)c1cn(-c2ccc(F)cc2)nn1 587573680 WQKCDDMZISJHNU-NZQKXSOJSA-N 451.841 4.208 50 1 JIGF C[C@@H]1C[C@H](C)[C@H](O)C(C#N)=CC=CC[C@H]([C@@H]2C[C@]2(C)C(=O)O)OC(=O)C[C@H](O)[C@H](C)C[C@H](C)C1 2356564169 UDZICKVESDOJCX-BHIWIIEMSA-N 475.626 4.245 50 1 JIGF CC(=O)O[C@@H]1C[C@H]2[C@](C)(CC[C@H]3C(C)(C)CCC[C@]32C)[C@@H]2C[C@@H](O)C(=CC=O)C(=O)O[C@@]21C 2356581617 CSVCFXXXBLXLBZ-RQRBGLDRSA-N 460.611 4.379 50 1 JIGF CC(C)C[C@@H](NC(=O)[C@@H](CI)Cc1ccccc1)C(=O)Nc1ccccc1 1650922 JVSAMVNCXRHSFH-UYAOXDASSA-N 478.374 4.450 50 1 JIGF C/C1=C\CC(=O)/C=C/C=C\c2csc(n2)[C@@H](C)NC(=O)C[C@]2(CC1)[C@@H](C)C(=O)S[S@]2=O 473114958 PPMWKMGSNPRMGG-UZPBIAOISA-N 478.661 4.291 50 1 JIGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ccc(N2CCOC2=O)cc1 587545976 ULGJZTBAFNPPLL-HYBUGGRVSA-N 451.862 4.445 50 1 JIGF CCOC(=O)C(C)(C)[C@]1(CBr)N[C@@H](C)Cc2cc(Br)c(F)cc21 587674105 SUMHQQWEOJUIJV-DYZYQPBXSA-N 451.174 4.302 50 1 JIGF Nc1ccc2c(c1)N(C(=O)CCCC(=O)N1C[C@H](CCl)c3ccc(N)cc31)C[C@H]2CCl 1858687 YSHVFLMRNJXNHK-GASCZTMLSA-N 461.393 4.060 50 1 JIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H](Cc2ccccc2)NC(=O)CCl)N1 587685378 PTWSRRYGMOLHPD-PJUBBZNESA-N 453.783 4.304 50 1 JIGF COc1ccccc1C(=O)[C@H](Cl)[C@@]1(c2ccccc2OC)N[C@H](C(=O)O)Cc2cccc(F)c21 962899126 OGGMDJRFPCKEPW-YLORPAJWSA-N 483.923 4.176 50 1 JIGF C#Cc1cccc(NC(=O)CO/N=C2\CC[C@@H]3[C@]2(C)CC[C@@H]2[C@]34C=C[C@]3(C[C@@H](O)CC[C@]23C)OO4)c1 1857628512 SDYAPKRSNSSOCO-IBSASIJZSA-N 490.600 4.366 50 1 JIGF COc1cc(OCCN2CCc3ccccc3C2)ccc1/C=N/NC(=O)c1ccc(O)c(Cl)c1 13492699 RHFVMVBXTPEOOD-LQKURTRISA-N 479.964 4.255 50 1 JIGF O=C(Nc1ccc(C(=O)NCCN2CCCC2)cc1)Nc1ccc(N(CCCl)CCCl)cc1 66105148 STOSGBVVYAVSAX-UHFFFAOYSA-N 492.451 4.440 50 1 JIGF CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](n2cc(F)c(=O)[nH]c2=O)C[C@@H]1O[Si](C)(C)C(C)(C)C 195515718 XTEPBIUQFMKCPD-BBWFWOEESA-N 474.722 4.375 50 1 JIGF Cn1c(=O)oc2cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc21 587328011 SIEQWCOHQJUKMA-XUZZJYLKSA-N 453.853 4.469 50 1 JIGF CCOC(=O)[C@@H]1CCC[C@H](Br)[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587682792 NQDXCCYIRMPILS-MNYDMIQKSA-N 463.185 4.444 50 1 JIGF O=C(N/N=C/c1cc(Br)cc(Br)c1O)c1cccc(OC(F)F)c1 1857572551 FAVWFZQYTQTFLR-IFRROFPPSA-N 464.060 4.283 50 1 JIGF O=C1c2ccccc2C(=O)N1CC[C@@]1(CBr)c2ccc(F)cc2C[C@H]2CCCN21 963092220 AMCOCXIIAYVUDC-UZUQRXQVSA-N 457.343 4.123 50 1 JIGF COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccccc2)c2ccc(F)cc2)CC1 1857606303 MTISNBALOIDBIX-UHFFFAOYSA-N 491.611 4.267 50 1 JIGF COc1cc([C@@H]2Oc3c(OC)cc(C=CC=O)cc3[C@@H]2COC(=O)c2ccc(O)cc2)ccc1O 2356755427 JRDSHOZYAFZUGI-OFVILXPXSA-N 476.481 4.401 50 1 JIGF COc1ccc([C@@H]2CC(c3ccc(OC)c(OC)c3)=NN2C(=O)[C@H](C)Br)c(OC)c1 43060930 VLTTVRKTIQTJDZ-UGSOOPFHSA-N 477.355 4.182 50 1 JIGF CN(C)CCCOc1ccc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)cc1 95568410 FWFYXWCOLBKOHZ-NHFJDJAPSA-N 468.598 4.152 50 1 JIGF O=C([C@@H]1Cc2ccccc2[C@](CBr)(c2cccc(Br)n2)N1)C(F)(F)F 962729875 KJYHJECKUFQYCP-BLLLJJGKSA-N 478.106 4.128 50 1 JIGF COC(=O)CCn1c(C)cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587547227 ZKAAVGKDGAWUMU-DHLKQENFSA-N 469.921 4.470 50 1 JIGF COC(=O)CCCn1c(C)cc([C@@]2(CCl)c3c(ccc(OC)c3OC)C[C@@H](C)N2C)c1C 962644585 YWFUQMRBDLEUEF-CPJLOUKISA-N 463.018 4.434 50 1 JIGF O[C@@H](COc1ccc(C2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)cc1)CN1CCOCC1 1772586424 YELDFODGMSCDPJ-DUALTANXSA-N 499.648 4.243 50 1 JIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(CS(=O)(=O)c2ccccc2)N1 587851350 VYUIUYQXHVCXKC-XIKOKIGWSA-N 491.220 4.187 50 1 JIGF C=C1CC[C@@H]2C([C@H](OC(C)=O)[C@H](C=C(C)C)OC(C)=O)=CO[C@H](OC(C)=O)[C@H]2C(=C)CC[C@@H]1OO 2356421387 HVAHZTRJIMZNBH-BICXVWTRSA-N 492.565 4.396 50 1 JIGF CN1CCc2cnn(C)c2[C@]1(CBr)c1ccc(NC(=O)OCc2ccccc2)cc1 963953976 FABYRPNCGZBPIB-QHCPKHFHSA-N 469.383 4.295 50 1 JIGF CC1(C)[C@@H]2CC[C@@]1(C)/C(=N/NC(=O)[C@@H]1[C@H]3C(=O)N4c5ccccc5S[C@@H]4[C@@]34C=C[C@]1(C)O4)C2 1857557533 SZZRHBIUQZNCQD-PFDLQTIUSA-N 463.603 4.113 50 1 JIGF O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(S(=O)(=O)C(F)(F)[C@@H](F)Cl)cc1Cl 31500270 GSQFBIMIYZOCFO-CQSZACIVSA-N 491.221 4.481 50 1 JIGF N#CC(C(=O)N1N=C(O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)=C1SCCCS1 45289692 INZYHLDYHOHDQD-VFUGHAIPSA-N 473.579 4.355 50 1 JIGF CCCc1c(O)ccc2c1O[C@](C)(c1c(C)oc(NC(=O)CCl)c1C(=O)OCC)CC2=O 587461208 QZLDBNVGVCTQCA-QHCPKHFHSA-N 463.914 4.481 50 1 JIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(/C(C#N)=C2/NC(=O)c3ccccc3N2)N1 587686311 CHUYVHVHEVRZAC-VVTKVUFKSA-N 475.749 4.147 50 1 JIGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(F)cc1C(=O)CBr 587894314 YHFXFKMMDPWHLI-UHFFFAOYSA-N 457.126 4.421 50 1 JIGF CCCNc1nc(SCCN2CCOCC2)nc2c1cnn2C[C@H](Cl)c1ccccc1 71317527 HTFHYSFOWXMDLS-IBGZPJMESA-N 461.035 4.053 50 1 JIGF O=C(N/N=C/c1ccc(O)c(O)c1)c1ccc(-c2nnc(-c3ccc4ncccc4c3)o2)cc1 653764338 FQKHFERJTBYJEE-MZJWZYIUSA-N 451.442 4.127 50 1 JIGF CCOC(=O)c1ccc(N2C(=O)c3ccccc3[C@@H](C=NNC(=O)c3ccoc3C)C2=O)c(Cl)c1 1857602369 HJHLASJEKNJPPS-LJQANCHMSA-N 493.903 4.105 50 1 JIGF COc1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2cccc(OC(C)C)c2)c1 13779115 QWUOJZKXQRFGRI-UHFFFAOYSA-N 459.506 4.330 50 1 JIGF Cc1ccc(Oc2nc3ccc(C)cc3cc2/C=N/NC(=O)Cn2c([N+](=O)[O-])cnc2C)cc1 169307236 ROYUJUFXDGQEMG-RPPGKUMJSA-N 458.478 4.207 50 1 JIGF CCC(CC)(C(=O)OC)[C@@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587538999 TXYOIGOOVIMZJW-VGSWGCGISA-N 463.324 4.467 50 1 JIGF COc1cccc(NC(=O)[C@H](Cl)[C@]2(c3ccccc3)NCCc3c2c(C(C)C)nn3C)c1 962918966 OIWOXBSIGYLTFQ-UKILVPOCSA-N 452.986 4.188 50 1 JIGF CC(C)(C)OC(=O)N[C@@H](C(=O)[C@H](N)CC1CCCCC1)/C(O)=C(\C#N)c1ccc([N+](=O)[O-])cc1 100765216 HRJGVCWJLKJUGB-RPJBUWBMSA-N 472.542 4.148 50 1 JIGF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@](CBr)(c2ccc(C(F)(F)F)cn2)N1 962969330 QGNFKTRSWHHNQQ-BZNIZROVSA-N 485.634 4.269 50 1 JIGF COc1ccc(Br)cc1[C@]1(CBr)NC[C@H]2CC(=O)N(C)c3cccc1c32 963037646 VSAAAPCNWOVFQE-MPBGBICISA-N 480.200 4.150 50 1 JIGF Cc1c(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)noc1[C@@H]1C[C@@H](Br)[C@@H](C)CO1 1772617089 SGMDUSNPYFXLQE-VUCTXSBTSA-N 495.418 4.410 50 1 JIGF C[C@]12CC[C@H]3[C@@H](C[C@@H](Br)C4=CC(=O)CC[C@@]43C)[C@@H]1Cc1cc3c(O)nc(O)nc3nc12 587366322 MVIBJAJYZBBOKJ-HWXFCSBJSA-N 484.394 4.355 50 1 JIGF C[C@@H]1Cc2cc([C@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc2N1S(C)(=O)=O 587610302 XIPZXMGBINDPEU-FTPHCPBZSA-N 499.972 4.199 50 1 JIGF CC(=O)NCCc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587611119 FLQZOKUJDCXNRP-NZQKXSOJSA-N 457.935 4.228 50 1 JIGF C[C@@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@H]4[C@H](Br)[C@@H](O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C 2356660978 OWEZEFLAXPQGSA-SYFXZKORSA-N 483.443 4.239 50 1 JIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CNC(=O)CCl)(c2ccc(Cl)cc2)N1 587684960 NFHQGNGSORWJRQ-WYRIXSBYSA-N 460.174 4.374 50 1 JIGF O=C(N/N=C/c1cc(O)ccc1O)c1ccc(-c2nnc(-c3ccc4ncccc4c3)o2)cc1 653764373 RDHIRHBTJOZTTI-MZJWZYIUSA-N 451.442 4.127 50 1 JIGF Cc1nc(N(C)C(=O)NC(=O)c2c(F)cccc2F)sc1C(=O)N/N=C/c1ccccc1Cl 653884747 GPUZMFCAQGPICJ-KIBLKLHPSA-N 491.907 4.133 50 1 JIGF COc1ccc([C@H]2C(C#N)=C(N)OC(C)=C2[C@@]2(C)NCCc3c(OC)ccc(Cl)c32)cc1 963268935 BIXGVROUNFIRLZ-SQJMNOBHSA-N 451.954 4.500 50 1 JIGF C[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C 195498586 KGHPPTLBPKJSIG-NYCLONFESA-N 474.722 4.374 50 1 JIGF O=C(CBr)NC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587320316 FICXQWJYGSDFSA-ISKFKSNPSA-N 484.321 4.297 50 1 JIGF CO[C@H](C)C=CC[C@H](Br)[C@@H]1C[C@H](Cl)[C@H](C[C@H](O)C=C=CBr)O1 2356794346 LCGVBLFGBCKPGB-ZRSHFURVSA-N 458.618 4.311 50 1 JIGF C[C@H](Br)[C@@]1(c2ccc(OCC(=O)O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587537839 KUVZMJBJQSEYDG-WVRMYWEISA-N 499.313 4.496 50 1 JIGF COc1ccc(C(=O)N(/N=C/c2c[nH]nc2-c2ccc(Cl)cc2)C(=O)c2ccncc2)cc1OC 653778089 VLRBMTXTRUMJMQ-WKULSOCRSA-N 489.919 4.459 50 1 JIGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1nc[nH]n1 587689340 RUMPPMYJCPGERH-OVWNDWIMSA-N 452.759 4.130 50 1 JIGF C=C(NNC(=O)[C@H](C)Oc1ccccc1Cl)c1cccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)c1 28826004 BHHAGUYZEJPNET-VDGAXYAQSA-N 485.968 4.229 50 1 JIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C(=O)CBr)ccc2O)N1 587672897 IRFLDVVDBSIPQI-DYBLOJMWSA-N 457.137 4.495 50 1 JIGF Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(C(=O)NN)cc2[nH]1 587119236 RLYWUOHIPCWFEM-SNVBAGLBSA-N 489.527 4.495 50 1 JIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@@H](Br)S(C)(=O)=O)N1 587850861 SXTHSNUODVECBG-CNOZUTPLSA-N 491.220 4.132 50 1 JIGF CCN(CC)C(=O)c1ccc(C(=O)OCC[C@@H]2CCC[C@@H]3CC[C@]4(C)OO[C@]23[C@@H](OC)O4)cc1 43328075 HZHZRUSSMBRIGG-FPTDWKCBSA-N 475.582 4.332 50 1 JIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(/C(C#N)=C2\NC(=O)c3ccccc3N2)N1 587689137 PYBWXMMCJQURBE-YQHYPLSSSA-N 475.749 4.147 50 1 JIGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(S(C)(=O)=O)cc2)N1 587850995 UBBQJJADQFGELD-BBATYDOGSA-N 491.220 4.164 50 1 JIGF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@](CCl)(c2cnc(N3CCCCC3)s2)N1 962966894 BBDUCHOLFWDGDK-YJYMSZOUSA-N 462.349 4.146 50 1 JIGF CC(=O)NCCc1ccc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1F 587725067 MZAWOPHAKWDRKV-XUSGNXJCSA-N 471.773 4.423 50 1 JIGF Cc1nc(C)c([C@@]2(CBr)N[C@@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)o1 963181722 RBBVJQWCJJFXHP-BZNIZROVSA-N 467.669 4.201 50 1 JIGF CC1(C)C[C@]2(CC[C@@H]1Br)O[C@@H]2[C@H]1[C@H]2[C@](C)(C[C@H]1O)[C@H](Br)CC[C@@]2(C)O 2356858470 TUGDQMUKKJUULR-VFJLXHFZSA-N 480.281 4.409 50 1 JIGF COc1cc2c(cc1OC)[C@@H](c1ccc(OCCBr)c(OC)c1)N(C)[C@H](C)C2 962637271 WGLMKIGIGSXTKH-JLCFBVMHSA-N 450.373 4.452 50 1 JIGF CC(C)(C)OC(=O)N1[C@H]([C@@H](O)CC(=O)O)Cc2c([nH]c3ccccc23)[C@]1(CCl)C(Cl)Cl 963069975 KELUMJNNBQMVKB-VFCRVFHLSA-N 491.799 4.403 50 1 JIGF CC1=CC2=C[C@H](C)C[C@]2(Br)C(=O)[C@@]2(C)O[C@@H]([C@@H](Br)C1=O)C(C)(C)CC2=O 1857742419 LPAIOUHOGJWURF-MVVWJFBCSA-N 488.216 4.091 50 1 JIGF O=C(CN(/N=C/c1ccc(Cl)cc1)C(=O)c1ccncc1)N1CCN(c2ccc(Cl)cc2)CC1 28335757 MCGWLBVTZLLKKM-STBIYBPSSA-N 496.398 4.214 50 1 JIGF C[C@H](Oc1ccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1)C(=O)NN 587576400 GROIXPBHCBYHGF-PRNOATFWSA-N 496.519 4.055 50 1 JIGF COc1cc([C@@]2(C)N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)ccc1OCCCCl 962983721 ZFLNMEVSJJGDNU-YCRPNKLZSA-N 460.304 4.497 50 1 JIGF C=C(C#N)CN1C[C@H](OC[C@@]23C[C@@H]4[C@H](C)CC[C@H]4[C@]4(C=O)C[C@H]2C=C(C(C)C)[C@@]34C(=O)O)OC[C@H]1C 101188267 MTGVMXPQKIAMSN-MWUINGAFSA-N 496.648 4.054 50 1 JIGF O=C(CCl)NC[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587544342 NSNBLBKEJWJCKR-NZQKXSOJSA-N 458.297 4.258 50 1 JIGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2c[nH]c(C(=O)N3CCCC3)c2)N1 587685313 PQRCEYHXSUNMPC-YUNKPMOVSA-N 454.771 4.169 50 1 JIGF COC1=CC(=CNNC(=O)c2ccc(COc3cc(C)ccc3C(C)C)cc2)C=C(OC)C1=O 13120192 BYRCFVFOKARUDK-UHFFFAOYSA-N 462.546 4.459 50 3 JIGF Cc1cccc2c1[C@@]1(C(=O)N(CCCl)c3ccccc31)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963854078 MUMKFLVPPFYXEN-DWXRJYCRSA-N 484.980 4.461 50 1 JIGF C[C@@H]1Cc2c3c(c(Cl)c(O)c2C(=O)O1)O[C@@]1(C)[C@@H](C3)[C@@]2(C)C[C@@H](Cl)C(=O)C(C)(C)[C@H]2C[C@H]1O 2356706283 AKANQXGAUVUBPO-UOVSAFEOSA-N 497.415 4.450 50 1 JIGF O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C\c1ccc(Cl)cc1)c1cccs1 61882062 SMDSENIYQGHCLF-SNWZXBDOSA-N 450.951 4.374 50 1 JIGF N#CC(C#N)=Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2nsnc12 587899019 RBIOHYPCHQHMDJ-UHFFFAOYSA-N 452.326 4.139 50 1 JIGF C[C@@H]1O[C@H](n2cc(F)c(=O)[nH]c2=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C 195773326 KGHPPTLBPKJSIG-MBGYTDRXSA-N 474.722 4.374 50 1 JIGF CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)O)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)[C@H]2Br 587530351 CCZFEYILBFQAOW-XEHJXZTKSA-N 483.424 4.357 50 1 JIGF CN(C)CCOc1ccc(/C=C/C(=O)N2C[C@H](CCl)c3c2cc(O)c2ncccc32)cc1 34243444 PEUBWYDFDULAOF-HKMNZKMDSA-N 451.954 4.263 50 1 JIGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(N(C)S(C)(=O)=O)cc2)N1 587839263 GFRZOLKGKJFATO-BUXKBTBVSA-N 475.811 4.001 50 1 JIGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587009462 GSSFECJLDVIAFC-NSHDSACASA-N 457.243 4.097 50 1 JIGF CCOC(=O)[C@@]1([C@@H](C)Br)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963832366 OTZBTTIBLKSCDC-CMJOXMDJSA-N 457.368 4.434 50 1 JIGF C[C@H](CCC(=O)O)[C@@H]1CC[C@H]2[C@@H]3C(=O)C[C@H]4[C@H](Br)[C@@H](O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C 2356660876 OWEZEFLAXPQGSA-LTYSFYKRSA-N 483.443 4.239 50 1 JIGF C[C@@H]1CC[C@@H]2[C@@H](C)[C@@H](OCc3ccc(CN4CCOCC4)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 43911340 GMFYZQUJZWTJSP-ZZLMAXIOSA-N 473.610 4.243 50 1 JIGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](O[C@H](CC(=O)O)c3ccc([N+](=O)[O-])cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 43947002 UVWPFYQIBWCYOU-MSRBPLPSSA-N 477.510 4.335 50 1 JIGF Oc1ccc2c3c1O[C@@H]1c4[nH]c5cccc(N=C=S)c5c4C[C@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 253791613 STPBFHDXZHEIEM-UBQPIHBDSA-N 471.582 4.307 50 1 JIGF N#C[C@H](C(=O)NCc1ccc(Cl)cc1)[C@@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587545390 RKDNHUDKRBZTJW-IOZGHAEBSA-N 497.334 4.441 50 1 JIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)([C@@H]2CCCN2C(=O)C(F)(F)F)N1 587709917 OSXYBAMJUBGKCQ-OELKAKTESA-N 457.693 4.110 50 1 JIGF CCOC(=O)[C@@H]1CCC[C@H](Br)[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587685906 URXAFQXOHUHJMK-QZVGHKLESA-N 463.185 4.444 50 1 JIGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)CCN1C(=O)c2ccccc2C1=O 587541703 DCTFYJOLHMCYRE-NBGIEHNGSA-N 463.873 4.018 50 1 JIGF C[C@@]1(c2ccccc2NC(=O)CCCCl)N[C@@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962623283 BEDJGHRXTIJIPM-WIYYLYMNSA-N 470.875 4.405 50 1 JIGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C(=O)CBr)ccc2O)N1 587672899 IRFLDVVDBSIPQI-NIVTXAMTSA-N 457.137 4.495 50 1 JIGF COc1ccccc1C(=O)[C@@H](Cl)[C@@]1(c2ccccc2OC)N[C@H](C(=O)O)Cc2cccc(F)c21 962899122 OGGMDJRFPCKEPW-LNXUECGXSA-N 483.923 4.176 50 1 JIGF C[C@@H](CCC(=O)O)[C@@H]1CC[C@H]2[C@@H]3C(=O)C[C@H]4[C@H](Br)[C@@H](O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C 2356660979 OWEZEFLAXPQGSA-UCNQHNBFSA-N 483.443 4.239 50 1 JIGF O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C\c1ccc(Br)cc1)c1cccs1 33393534 OHFBWJDDFOHHKS-ZASBYKKMSA-N 495.402 4.483 50 1 JIGF N#CC1=C(N)[N+](c2ccc(S(N)(=O)=O)cc2)=C2CCCC[C-]2[C@H]1c1ccc(Cl)c(Cl)c1 55837533 YKLNSKIPIKYNJV-OAQYLSRUSA-N 475.401 4.366 50 1 JIGF Oc1ccc2c3c1O[C@@H]1c4[nH]c5cc(N=C=S)ccc5c4C[C@]4(O)[C@@H](C2)N(CC2CC2)CC[C@@]314 100640658 HLCHHTQVTBACKD-YFVWJHKLSA-N 471.582 4.307 50 1 JIGF CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)c2ccc(Oc3ccccc3)cc2)C1 618008337 YNTMBKGYZLZCPZ-NRFANRHFSA-N 487.691 4.390 50 1 JIGF COc1cc2c(cc1OC)[C@](C)([C@@H](C)SC#N)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963773408 CICZKBANTBMFAA-BZQUYTCOSA-N 463.559 4.271 50 1 JIGF CC1(C)OC2=C(C(=O)C(=O)c3ccccc32)[C@H](n2nncc2-c2ccccc2)[C@H]1Br 1772609859 FWRWLRSWPAAQJB-PGRDOPGGSA-N 464.319 4.235 50 1 JIGF CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)c1ccccc1)[C@@H]2C(=O)OCCc1ccc(N=C=S)cc1 29206615 YFNOQEKRUIFWNP-WZYRSQIMSA-N 450.560 4.215 50 1 JIGF COc1ccc(C(O)(c2ccc(OC)cc2)[C@H]2CCN(C(=O)Oc3ccc([N+](=O)[O-])cc3)C2)cc1 49766508 SHFYVPZHOUHXJZ-FQEVSTJZSA-N 478.501 4.369 50 1 JIGF O=C(CN1CCC(Br)CC1)N1N=C(c2cc3ccccc3oc2=O)C[C@@H]1c1ccccc1 84604560 VJEPHVLSTZWVKF-JOCHJYFZSA-N 494.389 4.330 50 1 JIGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCOC(=O)[C@H]3CCCC[C@@H]3C(=O)O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 103197540 AMRZDNUDTHXSMN-FEKZFTHKSA-N 466.571 4.061 50 1 JIGF N#C[C@H](c1nnc2n1CCCCC2)[C@]1(CCl)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962649219 ZQTUFCVBTLSINX-LOLUNWTRSA-N 487.051 4.493 50 1 JIGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(=O)O)cc1CBr 587875026 NBDHLDGQDYRNRG-UHFFFAOYSA-N 455.135 4.297 50 1 JIGF Cc1nc(-c2ccc3c(c2)CCO3)sc1C(=O)NN(CC(C)C)c1nc(C#N)ncc1Cl 58582465 HBZFKQSUQYHJBT-UHFFFAOYSA-N 468.970 4.176 50 1 JIGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ccc(N2CCOC2=O)cc1 587545971 ULGJZTBAFNPPLL-GBXCKJPGSA-N 451.862 4.445 50 1 JIGF COc1cc(N2C(N)=C(C#N)[C@H](c3ccccc3O)C3=C2CC(C)(C)CC3=O)cc(OC)c1OC 45260656 ISAPKMKIWIYPGL-QHCPKHFHSA-N 475.545 4.359 50 1 JIGF CC(=O)NCCc1ccc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1F 587725541 QVQVUQDTFXNWQU-LAJNKCICSA-N 471.773 4.423 50 1 JIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(S(C)(=O)=O)cc2)N1 587850799 RYSFXIFJVSJFHO-ZMZPIMSZSA-N 491.220 4.164 50 1 JIGF COc1ccccc1C(=O)[C@@H](Cl)[C@]1(c2ccccc2OC)N[C@H](C(=O)O)Cc2cccc(F)c21 962899128 OGGMDJRFPCKEPW-YQIFXUADSA-N 483.923 4.176 50 1 JIGF CC(C)CN(NC(=O)c1ccc(C(=O)c2ccccc2)cc1)c1nc(C#N)ncc1Br 58563687 GREBMLVYERCDJB-UHFFFAOYSA-N 478.350 4.149 50 1 JIGF O=C(N/N=C/c1cccc(O)c1O)c1cc(-c2ccc(Cl)cc2)nn1Cc1ccc(Cl)nc1 73310089 YCIVVAULFLOEMT-KKMKTNMSSA-N 482.327 4.475 50 1 JIGF COc1cc2c3c(c1)O[C@](CCl)(c1cc(C(=O)C(Cl)(Cl)Cl)n(C)c1)[C@@H](C2)C3=O 587417224 KAVKIGVHPHGZPC-KPZWWZAWSA-N 463.144 4.468 50 1 JIGF CN1C(=O)C=C[C@]2(C)[C@@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(O)C#CCCI)[C@@H]3CC[C@@H]12 38515752 QSOSGQIELFNFDC-HQTNTUHFSA-N 481.418 4.185 50 1 JIGF Cc1ccc(-c2cs/c(=N/NC(=O)CSc3nnc(C)s3)n2-c2ccccc2)cc1 103238651 URPCKENJINYHJJ-HIXSDJFHSA-N 453.618 4.398 50 1 JIGF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@](CBr)(c2ncccc2F)N1 963169112 GZAILXZVURTFLD-CZUORRHYSA-N 467.644 4.130 50 1 JIGF COc1ccc2c(c1)[C@@]1(C(C=O)=CO2)c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccccc1 963413378 GWICZQCLRJLZRB-OUTSHDOLSA-N 494.503 4.047 50 1 JIGF CC1=CCC(=O)C=CC=Cc2csc(n2)[C@@H](C)NC(=O)C[C@]2(CC1)[C@@H](C)C(=O)S[S@]2=O 1857627369 PPMWKMGSNPRMGG-BAUFEMCASA-N 478.661 4.291 50 1 JIGF COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccccc2Br)N1C(=O)CCl 49792577 XZPOZBAAIJTUFZ-FXAWDEMLSA-N 461.743 4.185 50 1 JIGF O=C(N/N=C/c1ccc(O)cc1O)c1ccc(-c2nnc(-c3ccc4ncccc4c3)o2)cc1 653699578 ATDVMYJEWKATKG-MZJWZYIUSA-N 451.442 4.127 50 1 JIGF COC(=O)C1=C(C)NC(C)=C(c2nc3ccc(C(=O)NN)cc3[nH]2)[C@H]1c1cccc(Cl)c1Cl 587055751 MLAFJGCUOWTAQQ-LJQANCHMSA-N 486.359 4.038 50 1 JIGF Fc1cc(Br)cc([C@]2(CBr)NCCc3nc4ccccn4c32)c1F 962991371 VHUJFPPQONXWSD-KRWDZBQOSA-N 457.116 4.159 50 1 JIGF COc1cccc(/C=C(\C#N)C(=O)NCCCCCCNC(=O)/C(C#N)=C/c2cccc(OC)c2)c1 13676767 INJLRHDAAMBMRV-DFEHQXHXSA-N 486.572 4.011 50 1 JIGF CS(=O)(=O)c1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587607905 OQKZWHKETMZFQC-DENIHFKCSA-N 489.343 4.048 50 1 JIGF CC[C@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2CC2=CN[C@@H](N)C(=C2)CSSC1 2356864244 VSSUOYPEIIZSQS-IVCQMTBJSA-N 488.675 4.385 50 1 JIGF C[C@@H]1Cc2c3c(c(Cl)c(O)c2C(=O)O1)O[C@@]1(C)[C@@H](C3)[C@]2(C)C[C@@H](Cl)C(=O)C(C)(C)[C@H]2C[C@H]1O 2356706280 AKANQXGAUVUBPO-CGHZYZKKSA-N 497.415 4.450 50 1 JIGF CS(=O)(=O)N1CCCc2cc([C@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 587608954 UAPIRRDVVLALGS-RDGATRHJSA-N 499.972 4.200 50 1 JIGF C[C@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]2(C)[C@@]1(OC(=O)CC1CC1)C(=O)CCl 253930237 XULNEUJKZGYNOW-RTVRLGTFSA-N 493.015 4.493 50 1 JIGF COc1cc(C/C=N/NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc(Br)c1O 299861231 HXGGEEUUJXMVEQ-BRJLIKDPSA-N 482.334 4.374 50 1 JIGF C[C@H](CBr)NS(=O)(=O)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 149983633 VCCBEVNXKXJYNV-LLVKDONJSA-N 493.404 4.177 50 1 JIGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CNC(=O)CCl)(c2ccc(Cl)cc2)N1 587682798 DHOABZCHBPSDHM-WLRWDXFRSA-N 460.174 4.374 50 1 JIGF CC1(C)C[C@@](O)(C[C@H]2[C@H]3[C@](C)(C[C@H]2O)[C@@H](Br)CC[C@@]3(C)O)CC[C@@H]1Br 140211390 KODSWYTWIBQVBW-UJCHQGQXSA-N 482.297 4.393 50 1 JIGF CS(=O)(=O)Nc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587371126 ZXHRVWNZOGFFQB-GMAHTHKFSA-N 475.925 4.396 50 1 JIGF C[C@H](Cl)[C@@]1(c2ccc(NS(C)(=O)=O)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587838699 DUSNFZRDNYYCFN-UFYHVXEKSA-N 475.811 4.365 50 1 JIGF O=C(N/N=C1\CC[C@H]2[C@@H](OC(=O)c3ccccc3)C[C@@H](OC(=O)c3ccccc3)[C@@H]12)c1ccncc1 1857601557 NJRRDHODIALAST-PKHQLOEWSA-N 483.524 4.049 50 1 JIGF C[C@@H]1Cc2cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc2N1S(C)(=O)=O 587610308 XIPZXMGBINDPEU-NBCYMOSYSA-N 499.972 4.199 50 1 JIGF COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(CBr)c1 587874535 APNMNSKIEFISGN-UHFFFAOYSA-N 469.162 4.385 50 1 JIGF O=C1[C@@H]2Cc3nc[nH]c3[C@@](CCCCCCl)(c3ccc(C(F)(F)F)cc3)N2C(=O)[C@@H]2CCCN12 963211396 BPIFQEITPKGYCC-SFYKDHMMSA-N 494.945 4.229 50 1 JIGF COc1ccc(NC(=O)CO/N=C2\CC[C@@H]3[C@]2(C)CC[C@@H]2[C@]34C=C[C@]3(C[C@@H](O)CC[C@]23C)OO4)cc1 1772640678 SIMGEYUQEYRUFQ-LTKCVEJGSA-N 496.604 4.393 50 1 JIGF N#Cc1cc2c(nc1O)CC[C@H](Br)[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587320461 AFMMLQDGOXZABP-YZUZCNPQSA-N 495.304 4.468 50 1 JIGF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CCCl)c(CCl)c2c1 587618137 NPKXFBYMLCBURD-UHFFFAOYSA-N 458.323 4.406 50 1 JIGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CN(C(=O)OC(C)(C)C)C[C@@H]2Br)N1 587679166 FIFBRTOBSZPTLZ-SBOFIZKASA-N 478.200 4.332 50 1 JIGF O=C(CCl)NC[C@@]1(c2cccs2)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962638608 LMYTUTLUKZTJLY-OFVILXPXSA-N 452.023 4.094 50 1 JIGF CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](n2ccc(N)nc2=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C#N 195225470 WMSIRCDICHBPAB-NEPXVJNWSA-N 480.758 4.275 50 1 JIGF COC(=O)[C@@H]1[C@H](c2ccc(I)cc2)C[C@H]2CC[C@H]1N2CCCBr 253685861 NBDQDRSEYYQZOF-YYIAUSFCSA-N 492.195 4.186 50 1 JIGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)c1cn(-c2ccc(F)cc2)nn1 587573679 WQKCDDMZISJHNU-NFBKMPQASA-N 451.841 4.208 50 1 JIGF CN1CCN(C(=O)c2ccc(C3CCC4(CC3)OOC3(OO4)C4CC5CC(C4)CC3C5)cc2)CC1 1857638283 PGMMHJLJWQJMCI-UHFFFAOYSA-N 482.621 4.491 50 1 JIGF O=C(c1nc2ccccc2c(-c2ccccc2)c1CI)N1CCOCC1 169322693 FJDSDSUGKATIEX-UHFFFAOYSA-N 458.299 4.309 50 1 JIGF CN(C)CCC[C@]1(c2ccc(F)cc2)OCc2cc(C(=O)NNC(=O)c3cccc(F)c3)ccc21 1857758903 LVSZACXTNQFFGL-HHHXNRCGSA-N 479.527 4.155 50 1 JIGF C/C(=N\NC(=O)c1ccncc1)c1ccccc1OCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 205655078 ZJZGIZZSMMZUFW-NDZAJKAJSA-N 471.366 4.114 50 1 JIGF CCOC(=O)N1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@H](Br)C1 587324083 OVERKFLNTGVAPE-DXIQSLLYSA-N 478.314 4.255 50 1 JIGF Cn1c(=O)n(C)c2cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc21 587327053 OFQQYLPKDNDTQW-WIOPSUGQSA-N 466.896 4.215 50 1 JIGF CC(C)(C)[Si](C)(C)OC[C@]1(C)C(=O)CC[C@@]2(C)[C@H](C/C=C3/C(=O)OC[C@H]3O)[C@]3(CC[C@H]12)CO3 1857759907 JLNKRLINVQCRAG-SFQQMKOASA-N 478.702 4.413 50 1 JIGF CCCCCC[C@H](C)C=C(C)C=CC(=O)N[C@@H]1C[C@]2(O)C=C(Cl)C(=O)[C@H](Cl)[C@H]2O[C@@H]1OC 2356665333 BZCAAMLTKGWGQU-RVVGJGEVSA-N 488.452 4.386 50 1 JIGF COc1ccc(N/C(C#N)=C2\C(=O)c3ccccc3[C@]23c2cc(OC)c(OC)cc2C[C@H](C)N3C)cn1 962634663 URPBIRNHWGHIGB-JSFOWJSWSA-N 496.567 4.313 50 1 JIGF COCCOc1nc(-c2ccc(NC(=O)CCl)cc2)n(-c2ccc(Cl)c(Cl)c2)n1 1857638002 UNWHDCQCCIPLQU-UHFFFAOYSA-N 455.729 4.444 50 1 JIGF COC1=CC(C)=C2O[C@]3(C[C@]2(OO)C1=O)[C@H](O)CC[C@H]1[C@]3(C)CC[C@H]2C(C)(C)[C@@H](O)CC[C@]21C 2356333992 YSWYEMBQVGXRLL-SXJQPSLOSA-N 476.610 4.135 50 1 JIGF COc1cc([C@H]2Oc3c(OC)cc(/C=C/C=O)cc3[C@@H]2COC(=O)c2ccc(O)cc2)ccc1O 64380875 JRDSHOZYAFZUGI-GXSXDHCHSA-N 476.481 4.401 50 1 JIGF O=C(O)c1ccc(/C=N\NC(=O)c2ccc(CN3c4cccc5cccc(c45)S3(=O)=O)cc2)cc1 33412777 AAKOYCVQAYQRIG-DICXZTSXSA-N 485.521 4.011 50 1 JIGF COc1cc2c3c(c1)O[C@](CBr)(c1cccc(I)c1)[C@@H](C2)C3=O 587426332 BKBUWONJDLEDAT-KBXCAEBGSA-N 485.115 4.338 50 1 JIGF CC(=O)c1cccc(-n2cc(CO[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)nn2)c1 1857569135 ZWUQDIUXGFJKNC-HZTMJUPGSA-N 483.565 4.195 50 1 JIGF CN(C)CCC[C@]1(c2ccc(F)cc2)OCc2cc(C(=O)NNC(=O)c3ccccc3)ccc21 1857758953 FHULOFWVDUKGSX-HHHXNRCGSA-N 461.537 4.016 50 1 JIGF C=C[C@H](O)[C@H](CCOO[C@@H]1CC[C@]2(C)C(=CCC3=C4O[C@@H]5CO[C@]6(C)OC[C@]4(CC[C@H]32)[C@@H]56)C1)OC 2356511333 GSUWOLFPOHANSY-OKCLAVQGSA-N 488.621 4.218 50 1 JIGF CO[C@H](C)C=CC[C@H](Br)[C@@H]1C[C@H](Cl)[C@@H](C[C@H](O)C=C=CBr)O1 2356794345 LCGVBLFGBCKPGB-OBAQESIKSA-N 458.618 4.311 50 1 JIGF CN(C[C@](C)(O)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1ccc(N=C=S)cc1 14970264 HRCHAEAARVVZTO-SFHVURJKSA-N 454.430 4.174 50 1 JIGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCCOc3cccc(O)c3O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 38158714 OIJUMNFFPSMACF-PLHRZZKCSA-N 450.528 4.091 50 1 JIGF C[C@H](Oc1ccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1)C(=O)NN 587576398 GROIXPBHCBYHGF-HIYHBLTISA-N 496.519 4.055 50 1 JIGF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@](CBr)(c2cncc(F)c2)N1 963176575 ISMSNWXVPSTDME-WBMJQRKESA-N 467.644 4.130 50 1 JIGF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@H](c2cc([N+](=O)[O-])cc(CCl)c2O)N1 963179043 FNHQVDSVMCEVKS-HUUCEWRRSA-N 465.211 4.400 50 1 JIGF C[C@@H]1CC[C@H]2[C@@H](C)C(=O)N(NCc3ccc(C(F)(F)F)cc3)[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 169308387 WGBVLPQEAJCODF-ZJHNIPSMSA-N 454.489 4.404 50 1 JIGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc3c(c1)NC(=O)[C@H](C)O3)CC2=O 587456278 LYTLMDMOFADABL-AMXDTQDGSA-N 460.324 4.320 50 1 JIGF C[C@@H]1[C@]2(CO)CC[C@@H]3C4=C5CCC[C@]6(CCNC(N)=N6)CSSCC[C@@](C)([C@@H]3C2)[C@]41CC5=O 85549464 CGKJNYJXGOLYNH-LCWUOOSSSA-N 489.751 4.309 50 1 JIGF biogenic,in-vitro C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(C(=O)O)cc2)N1 587673352 MFABIBYBUUQRRF-MLCYQJTMSA-N 457.137 4.459 50 1 JIGF C=C1C[C@H]2O[C@@H]([C@@H]3[C@H](C(C)C)[C@H](O)C[C@](C)(OC(C)=O)[C@H]23)[C@](C)(OC(=O)CCC)CC[C@@H]1OO 2356536074 OMSNLYUISSVECK-OSPGLEAXSA-N 482.614 4.045 50 1 JIGF C/C(=N\NC(=O)CC#N)[C@@H](CN1CCCCC1)[C@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 38807370 FXTJOKZLPUSUGR-NTUOJXKQSA-N 486.572 4.138 50 1 JIGF CCOCCOC(=O)/C(C#N)=C(\N[C@@H](c1ccccc1)P(=O)(OCC)OCC)SC 103209156 SVIHYSTWKUQXHN-SELCWUDQSA-N 456.501 4.219 50 1 JIGF CCOP(=O)(OCC)[C@@H](NNC(=O)CSc1nnc(-c2ccncc2)o1)c1ccc(C)cc1 1857574169 JFBFWYGJXATGFL-HXUWFJFHSA-N 491.510 4.118 50 1 JIGF CCOCCOC(=O)/C(C#N)=C(\N[C@H](c1ccccc1)P(=O)(OCC)OCC)SC 103209158 SVIHYSTWKUQXHN-GHNGSUTGSA-N 456.501 4.219 50 1 JIGF COC(=O)c1cc([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1O 587673125 KLXUEGIWIDOYSS-GIGQVBGESA-N 487.163 4.253 50 1 JIGF O=C(Cn1cnc2scc(-c3ccc4ccccc4c3)c2c1=O)N/N=C/c1ccccc1O 73140264 HMBINUPBLJWRSW-KKMKTNMSSA-N 454.511 4.134 50 1 JIGF O=C(NCC(=O)N1c2ccccc2Sc2ccccc21)NN1C(=O)[C@H](Cl)[C@@H]1c1ccccc1 98082179 TVSPUTPGVFTAAE-YADHBBJMSA-N 478.961 4.221 50 1 JIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)([C@H]2CCCN2C(=O)C(F)(F)F)N1 587709916 OSXYBAMJUBGKCQ-BIZFCNDTSA-N 457.693 4.110 50 1 JIGF O=C(NNc1ccc(Cl)cc1)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1 38430674 SLTBMTIRYMGWLX-XMMPIXPASA-N 475.980 4.418 50 1 JIGF in-vitro C[C@H](Br)[C@]1(c2ccc(OCC(=O)O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587537840 KUVZMJBJQSEYDG-XHCKBEORSA-N 499.313 4.496 50 1 JIGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(CCN2C(=O)c3ccccc3C2=O)N1 587687693 HHOMKCXJYSRTNJ-LAJNKCICSA-N 465.750 4.243 50 1 JIGF CC(=O)O[C@@H]1C[C@H](Br)C(C)(C)O[C@]1(C)[C@@H]1C[C@H](Br)[C@@](C)(Cl)C[C@@H]1O 2356462667 ATUFLYZIGVYGQQ-IFNJFKCKSA-N 490.660 4.171 50 1 JIGF COC(=O)c1cc2c3c(cc(O)c2[nH]1)N(C(=O)c1cc2cc(C(C)=O)ccc2[nH]1)C[C@H]3CCl 49069390 GQBVTNLFCKWJPH-CQSZACIVSA-N 465.893 4.327 50 1 JIGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc3c(cc2NC(=O)CCl)OCO3)N1 587685930 SCZGMFSEUMJVPN-SBKAZYGRSA-N 469.738 4.292 50 1 JIGF COC(=O)[C@]1(CBr)CCCCC[C@@]12N[C@@H](C(=O)C(F)(F)F)Cc1ccccc12 962731684 SWTKIYAXNJHGQX-LZQZEXGQSA-N 462.306 4.046 50 1 JIGF Cc1cc(F)c([C@]2(CCl)c3scnc3C[C@H](C(=O)O)N2C(=O)OC(C)(C)C)cc1F 963144807 MOXYDZCQBCMLPN-FOIQADDNSA-N 458.914 4.459 50 1 JIGF CC1=CC2=C[C@H](C)C[C@@]2(Br)C(=O)[C@@]2(C)O[C@@H]([C@@H](Br)C1=O)C(C)(C)CC2=O 1857742418 LPAIOUHOGJWURF-MSKBPXPZSA-N 488.216 4.091 50 1 JIGF CC(C)[Si]1(C(C)C)OC[C@H]2O[C@@H](n3ccc(O)nc3=O)[C@H](F)[C@@H]2O[Si](C(C)C)(C(C)C)O1 306120782 RPJXJFFHPOEKSW-VBSBHUPXSA-N 488.705 4.141 50 1 JIGF CS(=O)(=O)c1ccc([C@]2(CSC#N)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587360502 ODQRMLOEPLQUSO-UPVQGACJSA-N 483.542 4.403 50 1 JIGF COc1ccccc1C(=O)[C@@H](Cl)[C@@]1(c2ccccc2OC)N[C@H](C(=O)O)Cc2cc(F)ccc21 962893019 FYFDINCFDKFYSR-HQCZVFHSSA-N 483.923 4.176 50 1 JIGF CC[C@@]1(CBr)c2cc(OC)c(OC)cc2CCN1C(=O)C(=O)c1c[nH]c2ccccc12 963780353 YDYTXTGIXRXTQK-XMMPIXPASA-N 485.378 4.453 50 1 JIGF CC(C)C[C@H](NC(=O)OCc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](/C=C/C#N)CCc1ccccc1 1772582259 YNOMGHNFKJUBLS-CSPIVVFSSA-N 478.549 4.433 50 1 JIGF COc1ccc2nc(N3CCOCC3)c([C@H]3C(C#N)=C(N)Oc4c3ccc3ccccc43)cc2c1 72122770 SFQIJFUWLGOSQE-VWLOTQADSA-N 464.525 4.451 50 1 JIGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)([C@H]1CCCN(C(=O)OC(C)(C)C)C1)O2 587372456 IVAOKYKOOHNVFB-QKKBWIMNSA-N 453.377 4.323 50 1 JIGF CC(=O)O[C@@H]1C[C@H](Cl)C=C[C@H](C=C=CBr)O[C@H](C)[C@H]2O[C@H]1C[C@H]2Br 2356798283 PBJXAHUANQJORC-MHYYMMSPSA-N 484.612 4.244 50 1 JIGF COc1cc(/C=N/NC(=O)CCn2cc(C)c3c(C)cccc32)ccc1OCc1cnccn1 115597238 RDORDRXUVAHOJA-IPPBACCNSA-N 457.534 4.176 50 1 JIGF N#C/C(=C\c1c[nH]nc1-c1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl)C(=O)O 587879158 KZKGTOYTNKYJCE-LICLKQGHSA-N 479.323 4.085 50 1 JIGF O=C(Nc1ccc(N(CCCl)CCCl)cc1)Nc1cccc(C(=O)NCCN2CCCC2)c1 66100974 ZQYHUOBEWKPVFI-UHFFFAOYSA-N 492.451 4.440 50 1 JIGF COc1cc([C@H]2Oc3c(OC)cc(C=CC=O)cc3[C@@H]2COC(=O)c2ccc(O)cc2)ccc1O 2356755429 JRDSHOZYAFZUGI-SQJMNOBHSA-N 476.481 4.401 50 1 JIGF CCOC(=O)N1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@@H](Br)C1 587324084 OVERKFLNTGVAPE-IPJJNNNSSA-N 478.314 4.255 50 1 JIGF O=C(O)[C@@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@](CCl)(Cc2cc(O)nc3ccccc23)N1 962718029 YFOHOZCHXZJSNK-GHTZIAJQSA-N 468.834 4.374 50 1 JIGF COC(=O)c1cccc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587537526 HAIQVLMROZOKJB-CVDCTZTESA-N 469.287 4.431 50 1 JIGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CNC(=O)CCl)(c2ccc(Cl)cc2)N1 587682796 DHOABZCHBPSDHM-JEOXALJRSA-N 460.174 4.374 50 1 JIGF C[C@H](Br)[C@@]1(c2ccc(OCC(=O)O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587537837 KUVZMJBJQSEYDG-DRPSWDKDSA-N 499.313 4.496 50 1 JIGF Cc1nc(C)c([C@@]2(CBr)N[C@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)o1 963181730 RBBVJQWCJJFXHP-ZBEGNZNMSA-N 467.669 4.201 50 1 JIGF CCS(=O)(=O)N1CCc2cc([C@@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 587533792 VRFREJXWBGEGAE-DEOSSOPVSA-N 459.995 4.377 50 1 JIGF CC(=O)c1ccc2c(c1)[C@](C1CC1)([C@H](Cl)C(=O)C(F)F)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962635132 UGOKADXRVDLZQU-PRCFCKQXSA-N 485.911 4.183 50 1 JIGF CCOc1cc([C@@H]2C(C#N)=C(C)NC3=C2[C@@]2(CC(C)(C)C3)c3c(cnn3C)CCN2C)ccc1O 963956148 VEPSXHPVZQNXFN-YWEHKCAJSA-N 473.621 4.466 50 1 JIGF CCOC(=O)c1[nH]c2cc(Cl)ccc2c1/C=N/NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1 1857571864 BNRVOYAOEUZHSS-DHRITJCHSA-N 476.961 4.095 50 1 JIGF O=C(CCCC[C@@H]1CCSS1)NCc1cn(CCCOc2ccc3ccc(=O)oc3c2)nn1 1857750171 AJCVYRGAUVGZMJ-HXUWFJFHSA-N 488.635 4.184 50 1 JIGF COc1ccc(-c2c(-c3cc(OC)c(OC)c(OC)c3)coc2/C=N/NC(=O)CCCC(=O)O)cc1 36477146 JYNWUYWOKKETQR-MZJWZYIUSA-N 496.516 4.353 50 1 JIGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(S(C)(=O)=O)cc1)CC2=O 587489597 VHLKDLGYYQRFBS-FQEVSTJZSA-N 453.354 4.004 50 1 JIGF C[C@@]12CCSSC[C@]3(CCCC4=C5C[C@H]1C[C@H](CO)[C@H]1CC=C[C@H](C4=O)[C@@]512)CCNC(=N)N3 2356680943 ZDHOLSMBJYCLCM-SWBNSDISSA-N 487.735 4.295 50 1 JIGF COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4cccc(NC(=O)[C@H](C)Cl)c41)[C@@H](C2)C3=O 587417439 MNMFGOKBKXWPJN-FDSYCPBNSA-N 473.912 4.497 50 1 JIGF CCOC(=O)c1c(NC(=O)CCl)sc([C@@]2(C)NCCc3cc4cccc(OC)c4nc32)c1C 963051543 YZGORYSYCKWRRU-DEOSSOPVSA-N 488.009 4.377 50 1 JIGF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@H](c2cc([N+](=O)[O-])cc(CCl)c2O)N1 963179044 FNHQVDSVMCEVKS-LSDHHAIUSA-N 465.211 4.400 50 1 JIGF C[C@@H]1Oc2ccc([C@@]3(CBr)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2NC1=O 587672556 GLKPDHDLDBENHX-QZXWKGOOSA-N 498.190 4.480 50 1 JIGF COc1ccc(C(=O)CBr)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587874801 GZXDXUPVTTVMAG-UHFFFAOYSA-N 469.162 4.290 50 1 JIGF COc1ccc(/C=N/NC(=O)c2ccc(-c3nnc(-c4ccc5ncccc5c4)o3)cc2)cc1O 653714282 QIAYQZIOXMBJDP-RWPZCVJISA-N 465.469 4.430 50 1 JIGF CC(=O)NCCc1ccc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1F 587725542 QVQVUQDTFXNWQU-QKVFXAPYSA-N 471.773 4.423 50 1 JIGF CCCCCC[C@H](C)C=C(C)C=CC(=O)N[C@@H]1C[C@]2(C=C(Cl)C(=O)[C@H](Cl)[C@@H]2O)O[C@H]1OC 2356380442 HCHKYWWJMUJBHB-AHFOVIRUSA-N 488.452 4.386 50 1 JIGF O=C(CCCc1ccc(N(CCCl)CCCl)cc1)Oc1cccc(N2C(=O)C=CC2=O)c1 26643137 SAKJGLJTFUHDDJ-UHFFFAOYSA-N 475.372 4.328 50 1 JIGF CN(C)CCOc1ccc2[nH]c(C(=O)N3C[C@H](CCl)c4c3cc(O)c3ncccc43)cc2c1 38408226 DAHJJTVBLCJXEM-INIZCTEOSA-N 464.953 4.345 50 1 JIGF COc1cc2c3c(c1)O[C@@](CBr)(c1cccc(I)c1)[C@@H](C2)C3=O 587426333 BKBUWONJDLEDAT-KSSFIOAISA-N 485.115 4.338 50 1 JIGF