smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C(/C#N)S(=O)(=O)c1ccc(C)cc1 33588010 JRDKEHAGVFOKRF-HKWRFOASSA-N 487.537 4.451 50 10 JIGE CCCCN1C(=O)/C(=N\NC(=O)CCCCCNC(=O)c2ccccc2Cl)c2cc(OC)ccc21 38180353 YHGMITGUVJTKKF-KRUMMXJUSA-N 499.011 4.306 50 10 JIGE COc1cccc(NC(=O)/C(C#N)=C/c2c(Oc3cccc(C)c3)nc3ccccn3c2=O)c1 39992889 GLAFOUQYFLKYER-NBVRZTHBSA-N 452.470 4.350 50 10 JIGE O=C(NNc1ncnc(Sc2cccc3cccnc23)c1[N+](=O)[O-])c1ccc(Cl)c([N+](=O)[O-])c1 40658708 PCZNHBXXDYEOSL-UHFFFAOYSA-N 497.880 4.403 50 10 JIGE Cc1c(C(=O)Nc2cccnc2)oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2 40812906 HCAUPPWIJPYBFT-YZSQISJMSA-N 467.323 4.468 50 10 JIGE CCOC(=O)/C(C#N)=C/c1cccc(OC(=O)c2cc(OC)c(OC)c(OC)c2Br)c1 40926274 UZFRFLWTOGYLDX-NTEUORMPSA-N 490.306 4.164 50 10 JIGE CC/C(=N\NC(=O)CCCSc1nnc(-c2ccc(Br)cc2)n1N)c1ccccc1 58990876 YFVOUWIGVDRFBU-HKOYGPOVSA-N 487.427 4.224 50 10 JIGE NNC(=O)c1ccc(COc2c(Br)cc(Br)cc2Br)s1 110555184 JOBQVGXNPKIVAS-UHFFFAOYSA-N 484.995 4.218 50 10 JIGE C[C@@H](CBr)CCCNS(=O)(=O)c1cc(Br)ccc1Br 228310156 ZXRHAROELNCOFU-SECBINFHSA-N 478.044 4.301 50 10 JIGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)NN=Cc1cccc(C)n1 252632791 VWXUIYSIHQOMPP-UHFFFAOYSA-N 471.590 4.175 50 10 JIGE O=C(NN=Cc1ccccn1)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1 254441608 WAEZIVRCMZRYGW-UHFFFAOYSA-N 470.554 4.241 50 10 JIGE COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=C/C=C/c2ccc3c(c2)OCO3)cc1OC 254571214 UJJRTLVVGSCVMS-JCCOENKBSA-N 499.523 4.019 50 10 JIGE CCCCCCCn1c(=O)c(C(=O)NN=Cc2ccccc2[N+](=O)[O-])c(O)c2ccccc21 254744343 RTLFEHLRRIVLST-UHFFFAOYSA-N 450.495 4.350 50 10 JIGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CCS[C@@H](CCBr)C1 719978734 WCOJCKCRQQOCKK-ZETCQYMHSA-N 469.673 4.055 50 10 JIGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NN=Cc2cc(Br)cc([N+](=O)[O-])c2O)cc1 1082753712 BZDROFFWBXACHU-UHFFFAOYSA-N 497.305 4.388 50 10 JIGE Cc1ccc(NC(=O)COc2ccc(C=NNC(=O)c3c(C)nc4cc(C)ccn34)cc2)cc1 1084300999 GJRLPQNPAMLMDS-UHFFFAOYSA-N 455.518 4.041 50 10 JIGE COc1ccc(N([C@H](C)C(=O)NN=Cc2cc(C)n(-c3ccc(C)cc3C)c2C)S(C)(=O)=O)cc1 1084371883 JZDAIZZANFMIED-OAQYLSRUSA-N 496.633 4.024 50 10 JIGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 1084377866 QOHQOYUDQNVNCV-OAQYLSRUSA-N 464.434 4.259 50 10 JIGE CCc1ccc(C=NNC(=O)c2cc(C(=O)NN=Cc3ccc(CC)cc3)c(C)nc2C)cc1 1772721632 RXIFVASGDPAMNL-UHFFFAOYSA-N 455.562 4.351 50 10 JIGE C[C@@H](Cl)C(=O)Nc1cc(Br)c(I)c(Br)c1 1931648859 DIPSPEWFOVLPNZ-SCSAIBSYSA-N 467.326 4.382 50 10 JIGE O=C(CBr)c1cc(OC(F)F)cc(C(F)(F)F)c1I 2060376995 YVRPHUMMHRDIBU-UHFFFAOYSA-N 458.946 4.489 50 10 JIGE O=S(=O)(C[C@@H](Br)c1cc(Br)cc(Br)c1)N1CCCCC1 2145635854 JASNPXOYRLSUKG-CYBMUJFWSA-N 490.055 4.463 50 10 JIGE CC(C)(CBr)[C@H]1CCCN1C(=O)c1ccc(F)cc1I 2155822409 CJIDFJYDWQBOMQ-CYBMUJFWSA-N 454.121 4.456 50 10 JIGE CC(C)(C)OC(=O)Nc1ccc([S@](C)(=O)=NC(=O)N2CCC(Br)CC2)cc1 2162870913 GRCSDFXJLVCMDK-MHZLTWQESA-N 460.394 4.470 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N(CCBr)[C@H]2C[C@@H]2C)cc1Br 2167107681 XQFFAFDQFBBACU-CABZTGNLSA-N 490.055 4.314 50 10 JIGE C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)NN=Cc4ccccc4Br)c(=O)c23)C1 2325903254 LIBBNDKHCFWSFU-QWHCGFSZSA-N 473.396 4.057 50 10 JIGE Clc1ccc(CN2CC[C@]3(C[C@@H](Br)CO3)C2)cc1I 2337217872 BRQSGMWXNWLIFP-RISCZKNCSA-N 456.549 4.073 50 10 JIGE CN1C(=O)[C@]2(C(C#N)=C(N)N(c3ccc(Cl)cc3)C3=C2C(=O)CC(C)(C)C3)c2ccccc21 5945448 RQKBJUMBYUOZLF-SANMLTNESA-N 458.949 4.411 50 10 JIGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=O)COc1ccc(Cl)cc1Br 13980486 GMXZYIYUUVLHHY-CYBMUJFWSA-N 469.763 4.221 50 10 JIGE Cc1ccc(C(=O)NNC(=O)[C@H](C)Oc2c(C)cc(Br)cc2C)cc1Br 14643274 JATHTYZAKZCAGL-ZDUSSCGKSA-N 484.188 4.365 50 10 JIGE C/C(=N\NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1ccc(Cl)c(Cl)c1 27495923 MIKNSFIGSCFGQF-BUVRLJJBSA-N 468.406 4.243 50 10 JIGE COc1cc(OC)c(OC)cc1/C=N/NC(=O)c1cc(-c2c(OC)ccc3ccccc23)n[nH]1 27520575 KSAMFILNXCMHEP-VULFUBBASA-N 460.490 4.028 50 10 JIGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1cc([N+](=O)[O-])ccc1Br)[C@H](Br)C2=O 35548690 UNYHJPZUMZIBNS-JLZZUVOBSA-N 474.149 4.455 50 10 JIGE COc1cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(F)cc2)cc(OC)c1OC 38652668 BZJNRVQTLVLBNF-HSZRJFAPSA-N 476.460 4.289 50 10 JIGE Cc1c(C(=O)NC23CC4CC(CC(C4)C2)C3)oc2c(Cl)cc(Cl)cc2/c1=N\NC(N)=O 48553243 UBCAFPFLTFMTNV-PKAZHMFMSA-N 463.365 4.231 50 10 JIGE CCOC(=O)/C(C#N)=C1/S[C@@H](Cc2ccccc2)C(=O)N1c1ccc(Br)cc1 102974636 WZJWIBPKBYFVKB-ONZPZFSWSA-N 457.349 4.438 50 10 JIGE Cc1cc(Br)c([C@H](Br)[C@@H]2CCS(=O)(=O)C2)cc1Br 128742437 HLDXQPPHAYIPOH-PRHODGIISA-N 461.013 4.391 50 10 JIGE COC(=O)[C@@H](Br)COc1c(Br)cc(Br)c2cccnc12 159879329 VUWSDFIAGUPFNZ-JTQLQIEISA-N 467.939 4.075 50 10 JIGE CC[C@@H](NC(=O)/C(C#N)=C\N1CCN(c2ccccc2OC)CC1)c1ccc2c(c1)CCCC2 217192131 CGYAJVWLTOETLF-TWBFQXCBSA-N 458.606 4.371 50 10 JIGE CCOc1ccc(CCN/C=C(/C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1OCC 217229358 GYXXNGMXPULEPB-PEZBUJJGSA-N 458.902 4.224 50 10 JIGE O=C(NN=Cc1ccccc1O)c1ccc(CN2c3cccc4cccc(c34)S2(=O)=O)cc1 254457503 LPMUOKYMMJAOQV-UHFFFAOYSA-N 457.511 4.018 50 10 JIGE COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=C/C=C\c2ccc3c(c2)OCO3)cc1OC 254571213 UJJRTLVVGSCVMS-FMEDTOSDSA-N 499.523 4.019 50 10 JIGE CCCCOc1ccc(C=NNC(=O)CC(=O)NN=Cc2ccc(OCCCC)cc2)cc1 254865262 CCIFFTGENJWHND-UHFFFAOYSA-N 452.555 4.035 50 10 JIGE C[C@H](Br)C[C@@H]1CCCCN1C(=O)c1ccc(I)c(O)c1 312442794 XELVCXMNGCTJIO-JQWIXIFHSA-N 452.130 4.165 50 10 JIGE C[C@@H]1CN(C(=O)c2cc(Br)ccc2I)C[C@@H](C)C1Cl 688089041 YLKHGIXRRBJXEM-RKDXNWHRSA-N 456.549 4.389 50 10 JIGE CC1(C)CC[C@@H](CBr)N(C(=O)c2ccc(F)cc2I)C1 701588059 BTUZUMKPMVCPAH-NSHDSACASA-N 454.121 4.456 50 10 JIGE COC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N3CCN(c4ccccc4)CC3)c2C)cc1 1083920285 HYBCYWFASDZUDF-HKOYGPOVSA-N 468.557 4.137 50 10 JIGE C=CCn1cc2ccc(NC(=O)NNC(=O)c3ccccc3OCc3ccc(F)cc3)cc2n1 1674577350 ZJVNHCIQRGFZOM-UHFFFAOYSA-N 459.481 4.407 50 10 JIGE Cc1occc1C(=O)NN=C1CCCc2oc(C(=O)N3CCN(c4ccccc4F)CC3)c(C)c21 1772748372 CGAHEEAPNXDRON-UHFFFAOYSA-N 478.524 4.061 50 10 JIGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@H](c2ccc(OC)c(O)c2)C(C#N)=C(N)O3)cc1 1865682657 UROGDURBFYEXQH-XMMPIXPASA-N 496.523 4.489 50 10 JIGE CCc1nn(Cc2ccccc2F)c2c1[C@@H](c1cc(Br)c(O)c(OC)c1)C(C#N)=C(N)O2 1865689122 KKIVYOHUPJGNOI-IBGZPJMESA-N 499.340 4.328 50 10 JIGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)C[C@@H]1C[C@H]1Br 1877421856 WRMYSFIZLOPIML-VFCRVFHLSA-N 457.368 4.155 50 10 JIGE C[C@H]1[C@H](Br)CCN1C(=O)c1cc(Br)ccc1I 1914448760 MPQOVIGLTUOGBP-OIBJUYFYSA-N 472.946 4.052 50 10 JIGE O=C(c1cc(I)ccc1O)N(CCCBr)Cc1ccccc1 1914627742 JRTNUAJGJHGKHH-UHFFFAOYSA-N 474.136 4.424 50 10 JIGE Cc1cc(Br)c(C)c([C@@H](Br)[C@H]2CCS2(=O)=O)c1Br 2081058913 HCJYIQVXEFFGFX-SKDRFNHKSA-N 461.013 4.452 50 10 JIGE C[C@H]1CN(C(=O)c2ccc(F)cc2I)CC[C@@H]1CCBr 2172474604 NWXDFDHDQFSUKX-QWRGUYRKSA-N 454.121 4.314 50 10 JIGE CC(C)[C@H]1CN(S(=O)(=O)c2ccccc2CBr)CCN1Cc1ccccc1 2179812899 SWDDACSGFMGCDF-HXUWFJFHSA-N 451.430 4.113 50 10 JIGE CC[C@@H](C)[C@@H](CI)NS(=O)(=O)c1ccc(Cl)c(F)c1Cl 2201197209 YODYNIWKWUPNNU-VXNVDRBHSA-N 454.132 4.261 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N1CCS[C@@H](CBr)C1 2277935352 OMVMDVHGKDVZIW-LBPRGKRZSA-N 472.040 4.093 50 10 JIGE Cc1cc(OCCn2cc(C=C(C#N)C(=O)N3CCC(C(N)=O)CC3)c3ccccc32)ccc1Cl 2297551941 FMIMHXMZPUELLS-UHFFFAOYSA-N 490.991 4.313 50 10 JIGE O=S1(=O)CCCC[C@@H]1[C@@H](Br)c1sc(Cl)cc1I 2301082984 DRDQNAYUPQEBBW-VXNVDRBHSA-N 469.591 4.409 50 10 JIGE N#CC(=Cc1cccn1-c1ccc(Br)cc1)C1=NN(c2ccccc2)[C@H](N)[C@H]1C#N 2313545787 FOQXPDSDGJLLSQ-GMAHTHKFSA-N 457.335 4.448 50 10 JIGE O=C(C=Cc1ccc(Cl)cc1)NC(=S)NNC(=O)c1ccc(OCc2ccccc2)cc1 2313864162 BYQIKDRZOBMIQZ-UHFFFAOYSA-N 465.962 4.268 50 10 JIGE O=C(NCCSCCCBr)c1cccc(Br)c1Br 2314056575 REAWOUWUWDRMNQ-UHFFFAOYSA-N 460.029 4.460 50 10 JIGE COc1ncc(Br)c(C)c1CO[C@@](C)(CBr)CNC(=O)OC(C)(C)C 2319599159 CAQPMXAEZQBRLG-KRWDZBQOSA-N 482.213 4.356 50 10 JIGE Cl[C@H]1CN(Cc2ccc(I)c(Br)c2)CC12CCOCC2 2377345236 CLNMIBDRSDBUAM-AWEZNQCLSA-N 470.576 4.274 50 10 JIGE Cc1ccccc1O[C@@H](C)C(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 13994278 BRFXOJPPLYVQGB-HNNXBMFYSA-N 463.372 4.049 50 10 JIGE CCOc1cnc(C(=O)N/N=C/c2cc(Br)ccc2OCc2ccc(F)cc2)o1 20190296 VXYZEKZMEIEYNT-YSURURNPSA-N 462.275 4.318 50 10 JIGE O=C(CCCNC(=O)c1ccccc1)N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1 33959048 KEGBEGOCCYCALW-OGLMXYFKSA-N 463.921 4.220 50 10 JIGE COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C(=O)O)ccc1OS(=O)(=O)c1ccc(C)cc1 35151691 FNIZIRWUPHRFOC-AQTBWJFISA-N 492.509 4.015 50 10 JIGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4OC)ccc32)c1 38684531 XQLABAZQLDNSFO-HHHXNRCGSA-N 484.508 4.463 50 10 JIGE COc1ccc(Br)cc1/C=N/NC(=O)CCCSc1nc2ccccc2n1C 58990332 ZJOLGIJXHKJLPR-LPYMAVHISA-N 461.385 4.367 50 10 JIGE COCCOC(=O)c1ccc(NC(=O)[C@@H](Br)[C@@H](Br)c2ccccc2)cc1 101648334 IYOFUTXUZDANDI-IRXDYDNUSA-N 485.172 4.328 50 10 JIGE O=C(NNc1ccc(F)c(F)c1F)c1cccn1-c1cccc(I)c1 110955603 OBEXMJLSCRDKTA-UHFFFAOYSA-N 457.193 4.256 50 10 JIGE CC(C)[C@H](CCBr)NS(=O)(=O)c1cc(Br)ccc1Br 231176650 IQGRFOCHFFADAF-NSHDSACASA-N 478.044 4.300 50 10 JIGE O=C(NCCCCCCI)c1csc(I)c1 236149583 NVTCFYGJVWHOJN-UHFFFAOYSA-N 463.122 4.078 50 10 JIGE Cc1ccc(OCC(=O)NN=Cc2cc(Br)cc(Br)c2O)cc1C 254565540 BDDDMGDGWSCIBN-UHFFFAOYSA-N 456.134 4.063 50 10 JIGE CC(=NNC(=O)CC12CC3CC(CC(C3)C1)C2)c1ccc(S(=O)(=O)NCc2ccco2)cc1 254569162 MVDFZERFUGYFRA-UHFFFAOYSA-N 469.607 4.205 50 10 JIGE COc1ccc(-c2nnc(SCC(=O)NN=C/C=C\c3ccco3)n2-c2ccccc2)cc1OC 254745394 PFVRBQCMJXAWOO-WLVDRWNASA-N 489.557 4.452 50 10 JIGE CC1(C)C[C@H](Br)C[C@@H](NC(=O)c2cc(I)ccc2O)C1 693891462 ISWHYRSEGMMKSM-MWLCHTKSSA-N 452.130 4.069 50 10 JIGE Nn1c(SCC(=O)NN=Cc2ccccc2OCc2ccccc2Cl)nnc1-c1ccccc1 1084250894 IYHJPHVKHMKPBY-UHFFFAOYSA-N 492.992 4.134 50 10 JIGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)CSCc3ccc([N+](=O)[O-])cc3)o2)cc1 1084652428 TUENBPJUZHVVJW-UHFFFAOYSA-N 467.503 4.415 50 10 JIGE COc1cccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4cc(OC)ccc4OC)c(C)c32)c1 1772749888 RARQDOKTBQOOHT-UHFFFAOYSA-N 477.517 4.337 50 10 JIGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@H](c2ccc(O)cc2O)C(C#N)=C(N)O3)cc1 1865681680 TWCNXVZTAKBPKG-HSZRJFAPSA-N 484.487 4.375 50 10 JIGE COc1cccc(-c2ccc(C(=O)NNC(=O)COc3ccc(OC)cc3C(C)(C)C)c(C)n2)c1 1865758583 IBXKFXXOSKMUTF-UHFFFAOYSA-N 477.561 4.212 50 10 JIGE Cc1cc(CCl)cc(S(=O)(=O)N2CC(N(C)Cc3ccccc3)C2)c1Br 1914228486 KYMCUPIXZKZYSS-UHFFFAOYSA-N 457.821 4.001 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CC[C@@](F)(CBr)C1 1917139454 AOBXERFJFJQPKI-GFCCVEGCSA-N 490.936 4.003 50 10 JIGE CC(C)(C)OC(=O)N1CC(N(Cc2ccccc2)S(=O)(=O)c2ccc(CBr)cc2)C1 1977936954 MGUBXECZWMVWGI-UHFFFAOYSA-N 495.439 4.392 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 1985351058 ZMYHIGQAICVOFC-YESZJQIVSA-N 461.694 4.128 50 10 JIGE O=C(N[C@H](CBr)C(F)(F)F)c1ccc(Br)cc1Br 2029991372 BCLQAFBICSBHKF-MRVPVSSYSA-N 453.878 4.267 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H](Cl)C2(CCC2)C1 2108690273 OAHVATYYXLTHBT-GFCCVEGCSA-N 454.533 4.287 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@@H]2[C@H](CCl)C[C@H]2C1 2117684659 VYRWHKGFHYKQHV-HOTUBEGUSA-N 454.533 4.001 50 10 JIGE O=C(c1cccc(Br)c1Br)N1C[C@H]2CC(Br)C[C@@H]2C1 2128642284 VJWYGTITOZCXAT-RKDXNWHRSA-N 451.984 4.457 50 10 JIGE O=C(c1cccc(F)c1I)N1CC2(CC[C@@H]1CBr)CC2 2154162556 GSAKQJHHBBYXHW-SNVBAGLBSA-N 452.105 4.210 50 10 JIGE CC1(C)CC(CBr)(CNC(=O)c2ccc(F)cc2I)C1 2158305027 SFPCPMPPNOHQHJ-UHFFFAOYSA-N 454.121 4.361 50 10 JIGE CC(C)(C)OC(=O)N[C@@H](C[S@](C)(=O)=NCC1(CBr)CCOCC1)C(C)(C)C 2163065200 YHKRLYXDIXCFEJ-QZXCRCNTSA-N 469.486 4.215 50 10 JIGE CS[C@@H]1CCCN(S(=O)(=O)c2cc(CBr)sc2Br)CC1 2179793298 RVQWMLPACRIXNI-SECBINFHSA-N 463.282 4.312 50 10 JIGE Cc1oc(CBr)cc1S(=O)(=O)N1C[C@H](C)N(Cc2ccccc2)[C@@H](C)[C@H]1C 2179820618 ZUURAWKCBINZQM-HRCADAONSA-N 455.418 4.155 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1C[C@H]2[C@H](Br)CC[C@H]2C1 2268351380 WOFOMGAYVGEKTQ-HBNTYKKESA-N 454.533 4.190 50 10 JIGE CCOc1cc(C=NNC(=O)c2cccn(Cc3cccc(C)c3)c2=O)cc(Cl)c1OC 2323619997 FXYPVBAOASZPKN-UHFFFAOYSA-N 453.926 4.030 50 10 JIGE CC(C)(C)OC(=O)N1C[C@@H](C(F)(F)F)[C@H](CNC(=O)[C@@H](Br)C2CCCC2)C1 2354959404 XIPIFMRUXCYBHN-MCIONIFRSA-N 457.331 4.102 50 10 JIGE Cc1ccc([C@H](C(=O)NC2CCCCC2)N(C[C@@H]2COc3ccccc3O2)C(=O)CCl)cc1 3036115 BHNZMWOUWPGLNT-PXDATVDWSA-N 470.997 4.392 50 10 JIGE Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)NNC(=O)c2cc3c(s2)CCCCCC3)cc1 12698380 DRVACRVKVZKBBM-UHFFFAOYSA-N 469.636 4.488 50 10 JIGE CCCCC(=O)Nc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 13986774 MFGCQFDDYFXTQK-ZDUSSCGKSA-N 452.338 4.351 50 10 JIGE CCCCOc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2Cl)cc1 14029936 RXSXKUXUPLIXOH-UHFFFAOYSA-N 455.736 4.121 50 10 JIGE COc1ccc(OC)c(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2OC)CCC3)c1 40813127 XSFIEHUJVZWZHI-MTDXEUNCSA-N 477.517 4.337 50 10 JIGE COc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4ccc(Cl)cn4)c(C)c32)c1 40822357 FPWMDHCICHFNEH-WPWMEQJKSA-N 452.898 4.368 50 10 JIGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccccc1C 40929875 BZYNLQQQHKMXEE-DEDYPNTBSA-N 460.486 4.195 50 10 JIGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2ccc(-c3cc(C(=O)OC)ccc3C)o2)cc1 58894674 KZOZCADOYYUOEK-JEWPKMHUSA-N 464.518 4.404 50 10 JIGE C#CCOc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)cc1Br 59152520 PKHVLNSYMGFBBG-LSHDLFTRSA-N 456.123 4.297 50 10 JIGE COc1c(C(=O)N/N=C2/C(=O)N(CC(=O)Nc3ccc(C)cc3)c3ccccc32)ccc2ccccc12 59153333 PYYJEQZRFOGKLH-GKPLWNPISA-N 492.535 4.276 50 10 JIGE CC(C)[C@H](Br)CNC(=O)c1cc(Br)ccc1I 232867657 CJMGQSNNFSRIPO-SNVBAGLBSA-N 474.962 4.203 50 10 JIGE O=C(CNC(=O)c1cccc2ccccc12)NN=Cc1ccc(OC(=O)c2ccccc2F)cc1 254624279 NHDKBNHBKZHGRS-UHFFFAOYSA-N 469.472 4.078 50 10 JIGE O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)NN=Cc1coc2ccccc2c1=O 254815365 QORCBNZQJHKPMU-UHFFFAOYSA-N 481.537 4.283 50 10 JIGE Cn1ncc([C@@H](Br)c2ccc(F)c(Br)c2)c1I 383233921 BUZWMFGITABTNC-JTQLQIEISA-N 473.909 4.411 50 10 JIGE CCn1nc(C)c(CNC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)c1C 727330924 DJMWYWDTVQWFTP-UNOMPAQXSA-N 461.957 4.174 50 10 JIGE CN(C(=O)c1ccco1)c1ccccc1C(=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1 730998060 IGSFCQWBYTURAL-UHFFFAOYSA-N 487.487 4.349 50 10 JIGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1 1084350264 FJQJQTTYZNJXRR-JOCHJYFZSA-N 463.490 4.146 50 10 JIGE COC(=O)c1ccc(Cl)c(-n2c(C)cc(C=NNC(=O)CC[C@@H](O)c3ccccc3)c2C)c1 1084438322 OBPOJWOOBBSGJA-HSZRJFAPSA-N 467.953 4.498 50 10 JIGE CCC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](C)[C@]2(O)C(=O)CCl)[C@@H]2C[C@H](F)C3=CC(=O)C=C[C@]3(C)[C@@]12F 1775963285 GFVRBARAKYZKQQ-KXKNEOGCSA-N 484.967 4.051 50 10 JIGE N#C/C(=C(/O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1nc(-c2c[nH]c3ccccc23)cs1 1872751652 QVXQRVGUBFSAJP-SILNSSARSA-N 471.454 4.288 50 10 JIGE Cc1cc(S(=O)(=O)N(C)C[C@H](Cl)COCc2ccccc2)sc1Br 1916365252 VCMMFRFTXZNQPV-AWEZNQCLSA-N 452.823 4.264 50 10 JIGE CC(C)(C)OC(=O)N1CC[C@](COCc2ccccc2)(C(=O)NCC2CC(Br)C2)C1 1991435136 FNXSUAGOLAIMOM-XWEVFREBSA-N 481.431 4.120 50 10 JIGE CCOC(=O)Cc1cc(OC(F)(F)F)cc(CBr)c1I 2055265729 KSQWQKOSZDYVLA-UHFFFAOYSA-N 467.019 4.190 50 10 JIGE CN([C@H]1CN(Cc2ccccc2)C(C)(C)C1)S(=O)(=O)c1ccsc1CBr 2123286667 PXSMWPPPGYBCNX-MRXNPFEDSA-N 457.459 4.317 50 10 JIGE O=C(c1cc(Br)ccc1Br)N1C[C@H]2C[C@H](Br)C[C@H]2C1 2128629673 BCALLIFBGIHCRD-JZYVYDRUSA-N 451.984 4.457 50 10 JIGE O=C(c1scc(Br)c1Br)N1CCO[C@@H]2C[C@H](Br)C[C@H]21 2128876025 CVLQEVQWEFTUII-FTLITQJKSA-N 474.012 4.040 50 10 JIGE C[C@H]1CCN(C(=O)c2ccc(Br)cc2I)C[C@@H]1CCl 2142289491 QKGYVSVXNFIPPD-UWVGGRQHSA-N 456.549 4.391 50 10 JIGE O=S(=O)(C1CC(OCc2ccccc2)C1)N1CCC[C@@]2(CBr)CCCC[C@H]12 2165236728 BBWCZNYSVLWHMN-NSKBAKJYSA-N 456.446 4.484 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)NC[C@H](Br)CBr 2252833834 ZMTGWRJNDUKZKV-SNVBAGLBSA-N 492.831 4.029 50 10 JIGE COc1ccc(Br)c(NCCSSCCNC(=O)OC(C)(C)C)c1N 2258215282 RUMBDYABGXYBIJ-UHFFFAOYSA-N 452.440 4.358 50 10 JIGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)c(Cl)c2)c(Br)cc1OCC(=O)O 2294187333 ACXLQMFDWXTMGB-UHFFFAOYSA-N 479.714 4.429 50 10 JIGE C=CCc1ccccc1OCC(=O)Oc1ccc(C=C(C#N)C(=O)NCc2ccco2)cc1OC 2314810498 YRDYJGKDAFOAKF-UHFFFAOYSA-N 472.497 4.224 50 10 JIGE O=S(=O)(N[C@@H](CCBr)COCc1ccccc1)c1cc(Cl)ccc1F 2320405789 FRNCPJLVPHWJRC-HNNXBMFYSA-N 450.757 4.128 50 10 JIGE COc1ccc(C=C(C#N)C(=O)NCc2ccc3n2CCN(C(=O)OC(C)(C)C)[C@H]3C)cc1 2329611198 ZCLANEBOJZOQNU-KRWDZBQOSA-N 450.539 4.032 50 10 JIGE O=C(NCC(F)(F)C(F)(F)CI)c1scc(Cl)c1Cl 2336525178 RMXJMCPPZJFXHO-UHFFFAOYSA-N 450.022 4.490 50 10 JIGE CC[C@@]1(C)[C@@H](Br)CCN1S(=O)(=O)c1cc(Cl)c(Br)s1 2336754245 SIORMRJYPJOXRX-KWQFWETISA-N 451.633 4.491 50 10 JIGE CC(C)(CBr)c1cn(Cc2ccc(Cl)c(I)c2)nn1 2337191527 APLAAPDUTWSPGO-UHFFFAOYSA-N 454.537 4.257 50 10 JIGE C[C@H](Br)C[C@H]1COCCN1Cc1ccc(Cl)c(I)c1 2337213811 CWYHYGMZMFWPFC-JQWIXIFHSA-N 458.565 4.319 50 10 JIGE C[C@H]1CCN(C(=O)c2ccc(Cl)cc2I)C[C@@H]1CBr 2340061573 PBOPXLBAAPFDJS-UWVGGRQHSA-N 456.549 4.438 50 10 JIGE Cc1ccc(NC(=O)CCC(=O)NNC(=O)c2ccc(OCCc3ccccc3)cc2)cc1C 14041598 RKVLVAXRVIITPI-UHFFFAOYSA-N 459.546 4.105 50 10 JIGE CCC(=O)Nc1ccc(C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2C(C)(C)C)cc1 14661646 LPUQVERZPUNDKR-UHFFFAOYSA-N 453.583 4.470 50 10 JIGE Cc1c(C(=O)Nc2ccc(F)cc2)oc2c1/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 40812238 DBIYDJGNNLWBTC-NLRVBDNBSA-N 450.426 4.358 50 10 JIGE O=C(COc1ccc(Cl)cc1)N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21 40846308 IMBZWGYMYJNFTC-QYQHSDTDSA-N 454.313 4.440 50 10 JIGE N#C/C(=C\c1ccccc1)C(=O)Oc1ccc2cc(C(=O)NCc3ccccc3)c(=O)oc2c1 40890847 RJJSGDSOEMOOMS-FYJGNVAPSA-N 450.450 4.236 50 10 JIGE O=C(N/N=C1/C(=O)N(Cc2ccccc2F)c2ccccc21)c1ccc(Br)cc1 59165248 VFUBMENETXKFFG-LKUDQCMESA-N 452.283 4.269 50 10 JIGE COc1ccc([C@@H](C)N/C=C(/C#N)C(=O)Nc2ccc(I)cc2C)cc1OC 217253823 JKSPRBUEERIVCG-IZCBMXNHSA-N 491.329 4.314 50 10 JIGE CCOc1ccc(Br)cc1C=NNC(=O)COc1ccc(Br)cc1 252608386 HKSBIBYIQQJHQG-UHFFFAOYSA-N 456.134 4.139 50 10 JIGE CO[C@@H]1CCC[C@H](O[C@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)C1 687798928 DWCJIDINWVVVFL-VKJFTORMSA-N 453.361 4.165 50 10 JIGE COCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)Nc2c(C(C)=O)oc3ccccc23)c1C 897567935 FVDBIGJPNHLIHX-RXWSAZGZSA-N 477.517 4.178 50 10 JIGE CCOc1ccc(CNC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)cc1OC 915200475 BQZOLMSMGNQQRM-QNGOZBTKSA-N 455.518 4.094 50 10 JIGE CCOc1ccc(N(CC(=O)NN=Cc2ccc(C)c(C)c2C)S(=O)(=O)c2ccccc2)cc1 1083977391 RRYFELADOYDZBD-UHFFFAOYSA-N 479.602 4.356 50 10 JIGE COc1ccc(-n2cccc2C=NNC(=O)c2cc(Br)c(O)c(Br)c2)cc1 1084199998 INUMBPHOLRFSDG-UHFFFAOYSA-N 493.155 4.480 50 10 JIGE COc1ccc(C(=O)NN=Cc2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1OC 1084242459 WHRZJVOONCYSES-UHFFFAOYSA-N 466.406 4.076 50 10 JIGE Cc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)cc1C 1084589235 LDUHSRGGJFMSIJ-UHFFFAOYSA-N 478.936 4.063 50 10 JIGE O=C(N/N=C1\c2ccccc2C[C@H]1NC(=O)c1ccco1)Nc1ccc(OC(F)(F)F)cc1 1614018675 MKAAPUVQDNAMPD-POCIFRJJSA-N 458.396 4.059 50 10 JIGE CCOC(=O)c1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(OC)cc2)CCC3)cc1 1772746242 SPKALHZJAYLQAS-UHFFFAOYSA-N 489.528 4.496 50 10 JIGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)ccc1O 1865681111 FDLNEQSCPSGNEQ-SFHVURJKSA-N 474.414 4.412 50 10 JIGE COc1cc(C=C(C#N)c2nnc3n2CCCCC3)ccc1OC(=O)COc1ccc(C)cc1 2040465330 JFGRFCJSHZNNJQ-UHFFFAOYSA-N 458.518 4.370 50 10 JIGE CCOc1cc(OC(F)(F)F)cc(I)c1C(=O)CBr 2055053847 ANOHZZJLFBRECN-UHFFFAOYSA-N 452.992 4.166 50 10 JIGE CCOC(=O)Cc1cc(CBr)c(I)c(OC(F)(F)F)c1 2055267746 KKXDBUZTNSGUBN-UHFFFAOYSA-N 467.019 4.190 50 10 JIGE O=C(CCl)c1cc(I)cc(C(F)(F)F)c1I 2060047278 FDNZCBXPUZDBGB-UHFFFAOYSA-N 474.385 4.336 50 10 JIGE CC[C@H]1CN(C(=O)OCc2ccccc2)[C@H](CC)CN1C(=O)N1CCC(Br)CC1 2106657444 FBCKBFNSGIZAHE-VQTJNVASSA-N 466.420 4.477 50 10 JIGE C[C@@H]1CCN(C(=O)c2ccc(Br)cc2I)C[C@@H]1CCl 2142289497 QKGYVSVXNFIPPD-ZJUUUORDSA-N 456.549 4.391 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N[C@@H](CCBr)C2CC2)cc1Br 2146588327 HVFNIGRMHQYROC-LBPRGKRZSA-N 490.055 4.362 50 10 JIGE O=C(c1cccc(F)c1I)N1CCC2(CC1)C[C@H]2CBr 2148905249 FLBNBFKSYSIIQV-JTQLQIEISA-N 452.105 4.068 50 10 JIGE CC[C@@H]1CN(S(=O)(=O)c2ccc(Br)c(CCl)c2)CCN1Cc1ccccc1 2152172405 GBRGKDBHDZKDGH-GOSISDBHSA-N 471.848 4.473 50 10 JIGE C[C@H](Br)C[C@@H]1COCCN1C(=O)c1cccc(Br)c1Br 2185313402 QQMCQSBIIJDQPM-VHSXEESVSA-N 469.999 4.226 50 10 JIGE CC(C)(C)OC(=O)NCCCN(CCCCCI)CC(F)(F)F 2211189992 KTSOGXRTQJBSFD-UHFFFAOYSA-N 452.299 4.371 50 10 JIGE CC1(C)CN(C(=O)c2cc(I)ccc2F)C[C@H]1CCBr 2238479193 GMHGANKSSUTAES-SNVBAGLBSA-N 454.121 4.314 50 10 JIGE O=C(NC[C@H](Br)CC(F)(F)F)c1ccc(Cl)c(I)c1 2268359371 RGUCNKXLFURFJW-SSDOTTSWSA-N 470.454 4.390 50 10 JIGE COc1ccc([C@H](Br)c2ccsc2S(C)(=O)=O)cc1I 2284997144 DYICAWKWCFPSAU-LBPRGKRZSA-N 487.178 4.249 50 10 JIGE O=C(N[C@H]1C[C@@H](CBr)[C@@H]2C[C@H]12)c1ccc(Cl)cc1I 2340063590 ABRGJKANDVPRLY-IRDCDUOOSA-N 454.533 4.094 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N[C@@H]1C[C@@H]2C[C@H]1C[C@H]2Br 2360163676 LKOHEMFULHBEBX-DUBDDPSESA-N 466.011 4.432 50 10 JIGE C[C@H](Cl)CN(CC(C)(C)C)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364191436 VGJDOZUNKNCMST-KRWDZBQOSA-N 457.036 4.148 50 10 JIGE CC(C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1cccc(OCCc2ccccc2)c1 10333827 IJDYXEKTKLJMSL-UHFFFAOYSA-N 491.613 4.146 50 10 JIGE Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=O)c1ccccc1OCCc1ccccc1 10509011 BVSVCBOBMGHYQI-UHFFFAOYSA-N 479.964 4.450 50 10 JIGE COc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)cc1Br 12500713 BHRIVEBOXXXJML-UHFFFAOYSA-N 484.375 4.074 50 10 JIGE CC(C)CCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(Cl)cc1 14650695 HLAVFWTXHCPMLH-UHFFFAOYSA-N 469.763 4.367 50 10 JIGE CC(C)(C)c1ccc(C(=O)NNC(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)cc1 14847456 GFRMHOKUWREBIB-UHFFFAOYSA-N 486.410 4.060 50 10 JIGE CCCCCn1nc(C(=O)NNC(=O)c2cc(Cl)sc2Cl)c2ccccc2c1=O 17397950 QOPFWLSCZZXLNW-UHFFFAOYSA-N 453.351 4.030 50 10 JIGE Cc1c(C(=O)NCc2ccccc2Cl)oc2c1/C(=N/NC(=O)COc1ccccc1)CCC2 40815955 FNGNIWQXHKBJSU-VFCFBJKWSA-N 465.937 4.407 50 10 JIGE COc1cc(/C=C(\C#N)C2=NN(c3ccccc3)[C@@H](N)[C@H]2C#N)ccc1OCc1cccc(C(=O)O)c1 59301970 HLJFPZDMRNVKAB-NRKMVPDQSA-N 493.523 4.180 50 10 JIGE CC(=O)O[C@](C)(CBr)C(=O)[C@@H](Br)[C@H](Br)c1ccccc1 196215683 HJINCWAXZPNGLV-MBNYWOFBSA-N 470.983 4.172 50 10 JIGE C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)NN=Cc1ccccc1Cl 252636959 XOHZEJOMADGNTB-UHFFFAOYSA-N 454.987 4.280 50 10 JIGE COc1ccc(Br)cc1C(=O)NN=Cc1ccccc1OC(=O)c1ccccc1 254311016 NZHDALJJECCKJA-UHFFFAOYSA-N 453.292 4.441 50 10 JIGE CCC(CC)(CBr)Cn1cnc(I)c1I 308922821 LCBQLDZAICBIBZ-UHFFFAOYSA-N 496.956 4.294 50 10 JIGE C[C@@H]1CC[C@@H](Br)CN1C(=O)c1cc(Br)ccc1I 399428743 QJOHYCHDEDVOJR-PSASIEDQSA-N 486.973 4.442 50 10 JIGE C[C@H]1CCCN(C(=O)c2ccc(I)c(O)c2)[C@H]1CCBr 697197967 DKBYZZXZEKBTSP-GWCFXTLKSA-N 452.130 4.023 50 10 JIGE C[C@H]1Cc2cc(Br)cc([C@H](Cl)c3cnn(C)c3I)c2O1 720126918 VNHWLAALYHVVEF-MADCSZMMSA-N 467.532 4.439 50 10 JIGE CCOC(=O)O[C@]1(C(=O)OCCl)CC[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3C(=O)C[C@@]21C 725240263 UJMSHOQZQCLVEP-GYYNAYTPSA-N 464.942 4.125 50 10 JIGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)c(Cl)c1O 1084018138 LUCIGEBBWNRTOF-FOWTUZBSSA-N 490.785 4.463 50 10 JIGE O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)NN=Cc1cccc(Cl)c1Cl 1084302011 MPIXNXRGQBTBFZ-UHFFFAOYSA-N 490.412 4.377 50 10 JIGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2cccc(Oc3ccccc3F)c2)cc1 1680472608 GZJUXUPVAJNVOZ-INIZCTEOSA-N 451.454 4.441 50 10 JIGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@@H](c2ccc(O)cc2O)C(C#N)=C(N)O3)cc1 1865681681 TWCNXVZTAKBPKG-QHCPKHFHSA-N 484.487 4.375 50 10 JIGE N#CSc1ccc(NC(=O)[C@H](NC(=O)Cc2ccc(N3CCOCC3)cc2)c2ccccc2)cc1 1866905886 VHTIDGUJMSTLIM-AREMUKBSSA-N 486.597 4.135 50 10 JIGE COc1ccc(/C=N/NC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)cc1OCc1ccccc1 1873794959 KWOKUOGCGMNQNN-NTRYICDMSA-N 487.622 4.371 50 10 JIGE CN(CCOCc1ccccc1)S(=O)(=O)c1ccc(CBr)cc1Br 2009657448 ADKQOSNCFRUDLN-UHFFFAOYSA-N 477.218 4.181 50 10 JIGE O=C(NC1(CCCBr)CC1)c1ccc(I)c(Br)c1 2029619325 PVOUSKTUDABILZ-UHFFFAOYSA-N 486.973 4.491 50 10 JIGE O=C(c1scc(Br)c1Br)N1C[C@@H]2[C@@H](CBr)C[C@H]2C1 2053995921 XOMVYGPMARGLGT-GJMOJQLCSA-N 458.013 4.376 50 10 JIGE C[C@H](Br)[C@H]1CCCN1C(=O)c1ccc(Br)cc1I 2086146072 VEQKWLAHQLFUPF-QPUJVOFHSA-N 486.973 4.442 50 10 JIGE CCN1CCC[C@H]([C@@H](Cl)c2cc(Br)c(Br)s2)S1(=O)=O 2089515303 PYRQAFHRFXPBLU-ZJUUUORDSA-N 451.633 4.367 50 10 JIGE O=C(NC[C@@]1(CBr)CCCOC1)c1csc(Br)c1Br 2093946776 IREIUHMYVBRCSG-LBPRGKRZSA-N 476.028 4.195 50 10 JIGE Clc1ccc(-n2cc(COCCBr)nn2)c(Cl)c1I 2093949380 ANQXLXNFDICXII-UHFFFAOYSA-N 476.927 4.090 50 10 JIGE O=C(N[C@@H](CCBr)C1CCCCC1)c1cc(I)sn1 2120026397 ONPZSFQWDXLOMT-JTQLQIEISA-N 457.175 4.211 50 10 JIGE CN(C[C@H]1CCCCN1Cc1ccccc1)S(=O)(=O)c1ccc(CBr)s1 2123243234 HFFOKGVRYKBZLN-QGZVFWFLSA-N 457.459 4.318 50 10 JIGE CC[C@@H](C)[C@@H](CBr)NS(=O)(=O)c1cc(Br)ccc1Br 2136497928 XMVSDWRYYNTRPM-LDYMZIIASA-N 478.044 4.300 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@@H]2CC[C@H](Br)[C@H]2C1 2142278677 GMGWESAYXAKMFO-UWJYBYFXSA-N 498.984 4.299 50 10 JIGE CN(C(=O)OC(C)(C)C)C1CCC(NS(=O)(=O)c2ccc(CBr)cc2)CC1 2162587139 QOJNBFYCRMBZHH-UHFFFAOYSA-N 461.422 4.038 50 10 JIGE O=S(=O)(c1cc(CCl)ccc1Br)N1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 2187750379 KNRIBKAEOBMTSI-ROUUACIJSA-N 469.832 4.083 50 10 JIGE O=S(=O)(c1cc(Cl)c(Br)s1)N1[C@H]2CC[C@H]1[C@@H](F)[C@H](Br)C2 2190678357 LCHOEIGZRKYFTJ-KRYIENNFSA-N 467.607 4.191 50 10 JIGE O=C(c1cc(C(F)(F)F)ccc1Br)N1C[C@H](Br)[C@H](Br)C1 2196129771 RGZLHJXAHIFIFC-AOOOYVTPSA-N 479.916 4.451 50 10 JIGE CC(C)[C@@H](CI)NC(=O)c1ccc(Cl)c(I)c1 2248255088 NGQMIODUYYYAFA-LLVKDONJSA-N 477.511 4.134 50 10 JIGE CCOC(=O)O[C@@]1(C(=O)CCl)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@@]21C 2294815076 AXXPSUGJNHPWJA-GBERQVNOSA-N 485.404 4.346 50 10 JIGE CO[C@H]1[C@@H](OCc2cc(I)ccc2Br)C[C@H]1Br 2302823435 ZYFAZUZSHRLWNC-GRYCIOLGSA-N 475.946 4.121 50 10 JIGE C[C@@H](Cl)C[C@H]1COCCN1Cc1ccc(I)c(Br)c1 2349856142 NLOOXEZXSFHXCP-PWSUYJOCSA-N 458.565 4.272 50 10 JIGE CC1CCC([C@@H](CBr)NC(=O)c2cc(I)sn2)CC1 2351625095 YZANLYFYVVSPKX-NWGYLPEXSA-N 457.175 4.067 50 10 JIGE O=C(CCc1ccccc1Cl)NC(=S)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 10460362 ZETZBFFRYYIHLU-UHFFFAOYSA-N 487.025 4.127 50 10 JIGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)C(c1ccccc1)c1ccccc1 13980526 LUQIMDDJKSCWJR-IBGZPJMESA-N 475.614 4.433 50 10 JIGE Cc1cccc(OCC(=O)NNC(=O)c2ccc(OCCC(C)C)c(Br)c2)c1C 14648984 FWMGMEFSEKQFBO-UHFFFAOYSA-N 463.372 4.331 50 10 JIGE Cc1ccccc1[C@H]1c2ccsc2CCN1CC(=O)N1CCCN(C(=O)C(C)(C)CCl)CC1 34788007 MKNRAKJYJHODDV-DEOSSOPVSA-N 488.097 4.330 50 10 JIGE COc1cc(/C=C(\C#N)c2nc(O)c3ccc(C)cc3n2)ccc1OCC(=O)Nc1nccs1 35520032 GCGLYZWWPJBBPA-MHWRWJLKSA-N 473.514 4.191 50 10 JIGE CCC[C@@H](C)c1nc(N2CCCN(C(=O)[C@@H](C)Cl)CC2)c2cnn(-c3ccccc3)c2n1 35925953 XWFNFLFABMIALV-QZTJIDSGSA-N 455.006 4.385 50 10 JIGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OC)c(OC)c2)cc1 38658617 OTVINROSRMQSAS-MHZLTWQESA-N 486.524 4.469 50 10 JIGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)ccc1OCc1ccc2c(c1)OCO2 58890344 GLVMNUVRRNZDFG-RZVXFNBMSA-N 476.529 4.357 50 10 JIGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\Nc3ccccc3C(F)(F)F)C2=O)cc1OC 101233469 YSOKETPZNXXSDS-NBVRZTHBSA-N 485.462 4.470 50 10 JIGE Cc1ccc(CNC(=O)/C(C#N)=C2/N=C(NC(=O)c3ccc(Br)o3)c3ccccc32)cc1 102673765 WOKYDCMSWOYCNF-DYTRJAOYSA-N 489.329 4.092 50 10 JIGE CCn1ncnc1CC(CBr)(CBr)c1ccccc1Br 118878941 AZQMPVXQCHZHHM-UHFFFAOYSA-N 466.015 4.331 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2CCC[C@@H]2CBr)cc1Br 158638373 UFFLFIGCWYLSLF-SECBINFHSA-N 476.028 4.068 50 10 JIGE O=C(c1cc(Br)c(Br)s1)N1CCSC[C@@H]1CBr 388195016 QZGFZXPDWNKMLA-LURJTMIESA-N 464.042 4.226 50 10 JIGE O=C(NN=C/C=C\c1ccccc1[N+](=O)[O-])/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 1082990316 HRIIGAYNVHHCKT-CMJMBYPKSA-N 485.456 4.089 50 10 JIGE O=C(NN=C1C(=O)N(CCOc2ccccc2)c2ccccc21)c1cc2ccccc2cc1O 1083973895 CKBCAOXUTXUBRI-UHFFFAOYSA-N 451.482 4.105 50 10 JIGE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NNc1ccc(-c2ccc(Cl)s2)nn1 1638876021 ATPWBMOSUFZJMB-LBPRGKRZSA-N 458.371 4.338 50 10 JIGE COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2c(F)cccc2Cl)cc1OC 1865710904 LCZVIWGDTKXLGI-JOCHJYFZSA-N 484.915 4.276 50 10 JIGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1cc(OC)c(O)c(OC)c1)C(C#N)=C(N)O2 1865714992 SIESARZWHMCMEC-FQEVSTJZSA-N 466.925 4.419 50 10 JIGE C/C(=N\NC(=O)c1ccc(-c2ccc(F)cc2F)nc1C)c1ccc2c(c1)N(C)C(=O)[C@H](C)O2 1865763552 QXNZYIJFBGVXOK-KTBDRLKFSA-N 464.472 4.233 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1CC[C@@H](CBr)C12CC2 2190356881 AWBRKDXGVSRRJT-VIFPVBQESA-N 488.039 4.150 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N1CCSC[C@H]1CCBr 2295307375 IUTNWCUIZRXLJT-CYBMUJFWSA-N 486.067 4.483 50 10 JIGE C[C@@H](Br)COCc1cn(Cc2ccc(Br)cc2Br)nn1 2295789335 QBPAHQWABCMIJM-SECBINFHSA-N 467.987 4.151 50 10 JIGE CS(=O)(=O)[C@H]1C[C@H]([C@@H](Br)c2sc(Cl)cc2I)C1 2301084476 UCIMZYXSXOTSDW-HCVRKRLWSA-N 469.591 4.265 50 10 JIGE COc1c(F)cc(CO[C@](C)(CI)CNC(=O)OC(C)(C)C)cc1F 2316261485 OTULYPUCIWBJTC-QGZVFWFLSA-N 471.282 4.208 50 10 JIGE CO[C@@H]1C[C@@H](CBr)N(Cc2ccc(I)c(Br)c2)C1 2325208341 VNFNWEHZCKZJRL-WDEREUQCSA-N 488.989 4.038 50 10 JIGE CCOc1cc(/C=N/NC(=O)CNc2ccccc2C)c(Br)c(Br)c1O 1209426 KUEPPVRDILYHHV-LSFURLLWSA-N 485.176 4.187 50 10 JIGE O=C(CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)NNC(=O)c1cccc(Cl)c1 2212300 OUFINFWQDPZCFA-SFQUDFHCSA-N 494.425 4.436 50 10 JIGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCc2ccco2)cc1OC 3242887 MXRZNKLHSYZYQC-CPNJWEJPSA-N 454.486 4.373 50 10 JIGE O=C(COc1ccc(Cl)cc1Br)NNC(=O)COc1ccccc1-c1ccccc1 13979973 IWKYQORRQGUXEG-UHFFFAOYSA-N 489.753 4.375 50 10 JIGE CC(C)COc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 14035386 UVIGYKVIJPVYSF-UHFFFAOYSA-N 496.633 4.190 50 10 JIGE Cc1ccc(C(=O)NNC(=O)c2cccc(OCCOc3ccccc3)c2)cc1Br 14040924 VKUQFTPGXUIJSW-UHFFFAOYSA-N 469.335 4.290 50 10 JIGE CCCCOc1cccc(C(=O)NC(=S)NNC(=O)COc2cc(C)ccc2C(C)C)c1 14041955 QGMMYSVIVRMBJT-UHFFFAOYSA-N 457.596 4.012 50 10 JIGE CCOc1cc(C=NNC(=O)c2ccccc2N)ccc1OCC(=O)Nc1ccc(C)c(C)c1 15932253 ZHERWCOQPBQTGG-UHFFFAOYSA-N 460.534 4.066 50 10 JIGE CCCCc1nc(N2CCCN(C(=O)[C@H](C)Cl)CC2)c2c(C)nn(-c3ccccc3)c2n1 35912819 JOJPADAMRHINSN-KRWDZBQOSA-N 455.006 4.133 50 10 JIGE COc1ccc(Nc2ncnc(NNC(=O)C(c3ccccc3)c3ccccc3)c2[N+](=O)[O-])cc1 40649495 CQALDLRQVXNDPH-UHFFFAOYSA-N 470.489 4.412 50 10 JIGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)CCc1ccc(C(C)C)cc1 41018989 ZTOVVFFMLXWVGS-XQNSMLJCSA-N 462.546 4.123 50 10 JIGE C=CCOc1cc(Br)c(/C=N/NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1OC 58894233 CWEDRDNNSGFNIK-PXMCARDJSA-N 491.382 4.385 50 10 JIGE COc1ccc(C(=O)N/N=C2\C(=O)N(CCc3ccccc3)c3ccc(Br)cc32)cc1 59146856 MDDMZGBWAOXPPH-ROMGYVFFSA-N 478.346 4.181 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1CCC[C@H](CBr)C1 125545488 PFKUAPUSBGCINV-SECBINFHSA-N 476.028 4.007 50 10 JIGE C[C@H](Br)[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)c(Br)s2)C1 688927753 TXETZZROKACGEK-JGVFFNPUSA-N 451.633 4.348 50 10 JIGE C[C@H]1CN(C(=O)c2cc(Br)ccc2I)C[C@]1(C)CCl 694699222 GFMRUOVWUDEVCR-XPTSAGLGSA-N 456.549 4.391 50 10 JIGE O=S(=O)(NCC1(CBr)CCC1)c1cc(Br)ccc1Br 717682204 QNGWCUVIDBUCSB-UHFFFAOYSA-N 476.028 4.055 50 10 JIGE Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2c(F)cccc2Cl)cc1 1084212816 OEPUYTUXMPFOMY-UHFFFAOYSA-N 487.984 4.171 50 10 JIGE COc1cc(OC)cc(C(=O)N2CCC(C(=O)NN=Cc3ccc(Cl)cc3Cl)CC2)c1 1084352260 JQNBXEBHNQMGAB-UHFFFAOYSA-N 464.349 4.013 50 10 JIGE Cc1cccc(OCC(=O)NN=Cc2cc([N+](=O)[O-])ccc2OCc2cccc(F)c2)c1C 1084583739 KKADQEIJRJSHFO-UHFFFAOYSA-N 451.454 4.459 50 10 JIGE CCc1ccc(-c2ccc(C(=O)NNC(=O)[C@H]3CCCN(C(=O)OC(C)(C)C)C3)c(C)n2)cc1 1865759027 ZGFFGRANXWLOJC-FQEVSTJZSA-N 466.582 4.028 50 10 JIGE Cc1nc(I)c(I)n1-c1ccc(CCl)cc1F 1941552690 MMQFXOOIWBPLOC-UHFFFAOYSA-N 476.458 4.268 50 10 JIGE O=C(N[C@@H](CBr)C(F)(F)F)c1cc(Br)sc1Br 1942836297 HFDONESJYLUOIM-BYPYZUCNSA-N 459.907 4.329 50 10 JIGE CCOC(=O)Cc1c(OC(F)(F)F)ccc(I)c1CBr 2055271808 BKPATHHJKNIVNR-UHFFFAOYSA-N 467.019 4.190 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CN(C(=O)OC(C)(C)C)C[C@]2(CCCO2)C1 2061268597 WSOHWFVWLMPEMZ-JTSKRJEESA-N 491.720 4.041 50 10 JIGE C[C@@H]1CN(C(=O)c2ccc(I)c(Br)c2)CC[C@@H]1CCl 2109036463 TWYWEOPEYFKQPF-MWLCHTKSSA-N 456.549 4.391 50 10 JIGE CN(Cc1ccccc1)C1CN(S(=O)(=O)c2cc(CBr)c(Cl)cc2Cl)C1 2123250651 CVRKHZLEUZMLRD-UHFFFAOYSA-N 478.239 4.393 50 10 JIGE O=C(NCC1(CBr)CC2(CCC2)C1)c1csc(I)c1 2126385480 IGRHCIHMJMYNEH-UHFFFAOYSA-N 454.171 4.428 50 10 JIGE O=C(NC[C@]1(CBr)CCCOC1)c1c(Br)cccc1Br 2150496248 SSLIAZDEGOJECX-CQSZACIVSA-N 469.999 4.133 50 10 JIGE C[C@@]1(CBr)CC(F)(F)CN1S(=O)(=O)c1cc(Cl)c(Br)s1 2159046424 JZPQWHQRLXLRTC-VIFPVBQESA-N 473.586 4.347 50 10 JIGE C[C@H]1CCN(S(=O)(=O)Cc2cccc(CBr)c2)CCN1Cc1ccccc1 2179776220 RMSFCNYJEODBTI-SFHVURJKSA-N 451.430 4.008 50 10 JIGE C[C@]12CN(Cc3ccccc3)C[C@]1(C)CN(S(=O)(=O)c1csc(CBr)c1)C2 2179817417 PKHRVNWNWPALNS-WOJBJXKFSA-N 469.470 4.176 50 10 JIGE Cc1cc(C)c(S(=O)(=O)N2CC[C@H](COCc3ccccc3)C2)cc1CBr 2179859575 GJFBHWOPNUIHPG-IBGZPJMESA-N 452.414 4.426 50 10 JIGE O=C(N[C@@H]1C[C@H]2CC[C@H]1[C@H](Br)C2)c1cccc(F)c1I 2204574502 MSVCFSJWEWGYHH-FIQUKUQUSA-N 452.105 4.112 50 10 JIGE COc1ccc(CCNC(=O)C(C#N)=C2N=C(NC(=O)c3ccc(Cl)cc3)c3ccccc32)cc1 2296532707 LSIZNVJMPNXHNS-UHFFFAOYSA-N 484.943 4.132 50 10 JIGE CC[C@@H](NC(=O)C(C#N)=CN1CCN(c2ccccc2OC)CC1)c1ccc2c(c1)CCCC2 2325092510 CGYAJVWLTOETLF-RUZDIDTESA-N 458.606 4.371 50 10 JIGE COc1cccc([C@@H]2C(C#N)=C3N=C(N)c4ccccc4N3C3=C2C(=O)CC(C)(C)C3)c1OC 3654502 WPZPSXCZSBCVNY-JOCHJYFZSA-N 454.530 4.405 50 10 JIGE CC(C)c1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1 10453166 SDCPXOBRMHJQCN-UHFFFAOYSA-N 466.607 4.278 50 10 JIGE CCOc1ccc(/C=N/NC(=O)COc2ccc(Br)cc2Br)cc1 12583844 UFZKUYBMSWWYQO-KEBDBYFISA-N 456.134 4.139 50 10 JIGE O=C(CNc1ccc(Br)cc1Br)N/N=C\c1c[nH]c2ccccc12 20075019 VGQNABLKASJVLW-AFPJDJCSSA-N 450.134 4.255 50 10 JIGE C#CCOc1ccc(Br)c(/C=N/NC(=O)c2ccn(Cc3ccc(Cl)cc3)n2)c1 20156972 IXVHUOQDASGHDR-ZMOGYAJESA-N 471.742 4.123 50 10 JIGE COc1cc(/C=C(/C#N)c2ccccc2F)ccc1OC(=O)CN1C(=O)c2ccccc2C1=O 31901743 ICAKUXPZWFFYDM-ATVHPVEESA-N 456.429 4.100 50 10 JIGE CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)cc1 33378198 GLIDSQXRJJGXOK-AQTBWJFISA-N 466.519 4.037 50 10 JIGE C/C(=N\NC(=O)CSc1nnc(CNc2ccccc2)n1-c1ccccc1)c1ccc(N)cc1 59260833 SEXOQIWRIHBDJH-MTDXEUNCSA-N 471.590 4.094 50 10 JIGE CN1C(=O)/C(=N/NC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c2ccccc21 100436181 FTVWLJOBQURGEN-BYNJWEBRSA-N 454.530 4.347 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2CCC[C@@H](CBr)C2)cc1Br 155825287 RNAFTJHUEFLHBG-JTQLQIEISA-N 490.055 4.316 50 10 JIGE O=C(COc1c(Br)cc(Br)cc1Br)NN=Cc1ccco1 252597474 CRGRWCNETNNLIA-UHFFFAOYSA-N 480.938 4.096 50 10 JIGE CN(C)c1ccc(/C=C(/NC(=O)c2cccc(F)c2)C(=O)NN=Cc2cn(C)c3ccccc23)cc1 254382268 WNDWDJJGGJHEES-DEPNZJLXSA-N 483.547 4.305 50 10 JIGE CN(C)c1ccc(C(=O)NN=C2C(=O)N(CN3C[C@@]4(C)C[C@H]3CC(C)(C)C4)c3ccccc32)cc1 254514876 ZLZOSWYABLFZKJ-PIKZIKFNSA-N 473.621 4.091 50 10 JIGE COc1ccc(NCC(=O)NN=Cc2sc(N3CCCCC3)nc2-c2cccs2)cc1 254735100 TZRILFNXPFIXBO-UHFFFAOYSA-N 455.609 4.433 50 10 JIGE Cc1nn(C)c2ncc(NC(=O)/C(C#N)=C\c3cn(CCC#N)nc3-c3ccc(Cl)cc3)cc12 818610464 HGJQXWSUCOEFKQ-YVLHZVERSA-N 470.924 4.253 50 10 JIGE O=C(COc1ccccc1I)NN=Cc1cccn1-c1ccc(Cl)cc1 1084057911 XDXNUIHVTGLWEZ-UHFFFAOYSA-N 479.705 4.264 50 10 JIGE CC(=NNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1)c1ccc(F)cc1 1084381251 JWWNDGZAXBRPKQ-UHFFFAOYSA-N 457.502 4.009 50 10 JIGE C=C(Cl)CSc1nc(C)c(CC(=O)NNC(=O)[C@@H](C)Oc2cccc(C)c2C)s1 1586944185 XKQYALRENYZJMK-OAHLLOKOSA-N 454.017 4.070 50 10 JIGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cc(C)ccc2C)cc1O 1865682164 HRTFHBVAOPVCKR-IBGZPJMESA-N 470.451 4.499 50 10 JIGE CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1cc(Br)c(O)c(OC)c1)C(C#N)=C(N)O2 1865689442 SCSSRFQXRQUVBD-IBGZPJMESA-N 481.350 4.438 50 10 JIGE Cc1nc(-c2ccc(F)c(F)c2)ccc1C(=O)NNC(=O)Cc1ccc(Br)s1 1865757289 VWXKDWXBDKQBPE-UHFFFAOYSA-N 466.307 4.163 50 10 JIGE O=S1(=O)CC[C@@H](C(CBr)(CBr)Cc2cscc2Cl)C1 2120344161 LOMQPVFXVDVTAQ-SNVBAGLBSA-N 450.645 4.155 50 10 JIGE CCN([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1c(C)csc1CBr 2123232153 MUBVFSGNGJUVOK-KRWDZBQOSA-N 457.459 4.237 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1CC[C@H](Br)[C@@H]2CC[C@@H]21 2133725079 XPKSPSCLMXJLAP-GAFUQQFSSA-N 454.533 4.333 50 10 JIGE C[C@@H](Cl)[C@H](NC(=O)c1ccc(Br)cc1I)C(F)(F)F 2142282444 DJINVRNBBQWBFI-ANLVUFKYSA-N 470.454 4.342 50 10 JIGE CN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(Br)c(CCl)c1 2144836926 PTUGABODXSLQPC-UHFFFAOYSA-N 471.848 4.473 50 10 JIGE C[C@H]1C[C@H](N(C)S(=O)(=O)c2ccc(Br)c(CCl)c2)CN1Cc1ccccc1 2154838057 ASXOWVJZGMZYER-YJBOKZPZSA-N 471.848 4.471 50 10 JIGE O=C(c1ccc(F)cc1I)N1CCC([C@H](F)CBr)CC1 2163245997 OGRAXLIUPOXVBT-GFCCVEGCSA-N 458.084 4.016 50 10 JIGE CCN(CC)CCN(Cc1ccccc1)S(=O)(=O)c1cc(F)ccc1CBr 2179785632 OUTNZYNPOOVKKT-UHFFFAOYSA-N 457.409 4.253 50 10 JIGE C[C@H](c1nscc1Br)N(C)S(=O)(=O)c1ccc(CBr)s1 2186581615 OQOQFTJZVMGHPB-SSDOTTSWSA-N 460.238 4.244 50 10 JIGE O=S(=O)(c1ccc(CBr)c(Cl)c1)N1C[C@@H]2CCN(Cc3ccccc3)[C@H]2C1 2188885005 LVMGDMHYGBYPON-PXNSSMCTSA-N 469.832 4.130 50 10 JIGE O=[N+]([O-])c1ccc(C[C@H](Br)c2cc(I)sn2)c(F)c1 2229155476 YLFCTLWODMLSAZ-QMMMGPOBSA-N 457.062 4.474 50 10 JIGE Cc1c(C)c(C)c(S(=O)(=O)N2CCC(C(=O)NN=CC=Cc3ccccc3)CC2)c(C)c1C 2295384364 RLTDACOLZYVYJS-UHFFFAOYSA-N 467.635 4.445 50 10 JIGE Cc1ccc(-c2csc3ncn(CC(=O)NN=Cc4ccc(Cl)c([N+](=O)[O-])c4)c(=O)c23)cc1 2325904628 JZRVMESZKLRVNO-UHFFFAOYSA-N 481.921 4.145 50 10 JIGE C[C@@H](Br)CN(C(C)(C)C)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338833426 LZCFDMPQPMJEHZ-MRXNPFEDSA-N 487.460 4.057 50 10 JIGE CC(C)(C)OC(=O)NCC[C@@H]1CCN(C(=O)C2CC(Br)C2)[C@H](C(F)(F)F)C1 2362758808 YZFLAWMXSMDDQN-RYSNWHEDSA-N 457.331 4.244 50 10 JIGE C[C@H](CCCCCI)NC(=O)c1cc(F)c(Br)cc1O 2364974300 AOZPAANWZGMGNC-SECBINFHSA-N 458.109 4.408 50 10 JIGE Cc1ccc(O[C@@H](C)C(=O)NNC(=O)c2cc(Br)ccc2OCC(C)C)cc1C 10153366 LHLGUUISZQOCNQ-INIZCTEOSA-N 463.372 4.329 50 10 JIGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)c1ccc(C(C)C)cc1 10451965 XUDUTJVDAUDMQS-UHFFFAOYSA-N 484.188 4.483 50 10 JIGE C[C@H](SCc1ccccc1)C(=O)N/N=C1/C(=O)N(Cc2cccc([N+](=O)[O-])c2)c2ccccc21 59152650 RLBOVXDOXPEIKH-XKLROMNWSA-N 474.542 4.284 50 10 JIGE COc1ccc(N2C(=O)[C@H](Cc3ccccc3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101241050 CSCCBVMKUOJPLK-FYAMCCBRSA-N 469.566 4.438 50 10 JIGE CCCOc1ccc(/C=N\NC(=O)c2cccn(Cc3cccc(Cl)c3)c2=O)cc1OC 169920594 GBRIADDVDPTCAE-YSMPRRRNSA-N 453.926 4.111 50 10 JIGE COCCn1c(CBr)nnc1-c1ccc(Br)cc1Br 234670781 AVTNHBPIQWEPTC-UHFFFAOYSA-N 453.960 4.011 50 10 JIGE CSCC[C@H](NC(=O)c1ccc(C(F)(F)F)cc1)C(=O)NN=Cc1c(F)cccc1Cl 254762739 KULMOCUVTKMXMZ-KRWDZBQOSA-N 475.895 4.500 50 10 JIGE CC1(C)[C@H](Br)CCN1C(=O)c1cc(Br)ccc1I 311050361 GPBPZJRPWHFHKM-LLVKDONJSA-N 486.973 4.442 50 10 JIGE CC(C)(C)OC(=O)N1C[C@@H](CBr)[C@H](c2cc(I)ccc2N)C1 382709365 GJWBRMCCCJSHNE-ZWNOBZJWSA-N 481.172 4.219 50 10 JIGE C[C@@H]1CCN(C(=O)c2ccc(I)c(Br)c2)[C@H]1CBr 721614069 NRAIRZABZIFKRK-PELKAZGASA-N 486.973 4.299 50 10 JIGE CC[C@@H]1CCCCN1C(=O)[C@@H](C)OC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1 761399788 CPTUBAFQEVHTTC-ZBVIJCHTSA-N 459.550 4.094 50 10 JIGE COc1ccc(Br)cc1C=NNC(=O)[C@H](C)Oc1ccccc1Br 1084218927 CKEMNMLGVLQOKM-NSHDSACASA-N 456.134 4.138 50 10 JIGE CC(=O)N1CCc2c(NC(=O)NNc3ccc(-c4cccc(C(F)(F)F)c4)nn3)cccc21 1669118492 BQJFADWZCWWREY-UHFFFAOYSA-N 456.428 4.220 50 10 JIGE Cc1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772748057 XULDEJFSGJXQRX-UHFFFAOYSA-N 460.490 4.456 50 10 JIGE CCOC(=O)c1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccccc1O)CCC2 1772752128 VALOQHTWWZTKEM-UHFFFAOYSA-N 475.501 4.193 50 10 JIGE O=C(NN=C1C(=O)N(Cc2ccc(Cl)cc2)c2ccc(Br)cc21)c1cccnc1 1772752527 YLCZTPQAKFJXRJ-UHFFFAOYSA-N 469.726 4.178 50 10 JIGE CCOc1cc(C(=O)NNC(=O)c2ccc(-c3ccccc3OC)nc2C)cc(OCC)c1OCC 1865760043 DHGCDIDIAHRKNB-UHFFFAOYSA-N 493.560 4.337 50 10 JIGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2cc(-c3ccco3)on2)cc1 1866643524 HAVPOLUXNYCAPE-IBGZPJMESA-N 474.498 4.193 50 10 JIGE N#C/C(=C(/O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1nc(-c2ccccc2)cs1 1872747755 SHUBPTADDMNXDU-UZYVYHOESA-N 487.990 4.434 50 10 JIGE N#C/C(=C(/O)CNC(=O)c1ccc(Cl)cc1)c1nc(-c2ccc3c(c2)OCCO3)cs1 1872751223 XMXBPUUOQMWBRL-VLGSPTGOSA-N 453.907 4.457 50 10 JIGE O=C(CBr)c1c(I)ccc(OC(F)F)c1C(F)(F)F 2060378351 ROHBCGSBKAGHOC-UHFFFAOYSA-N 458.946 4.489 50 10 JIGE CC1(C)CC[C@H](COC2(CI)CCN(C(=O)OC(C)(C)C)CC2)OC1 2076724235 DXPGSHRWLHATIV-OAHLLOKOSA-N 467.388 4.413 50 10 JIGE O=C(c1ccc(Br)cc1Br)N1C[C@H](CBr)C2(CC2)C1 2087790675 SRRVBCJIBMARRL-VIFPVBQESA-N 451.984 4.459 50 10 JIGE C[C@@H]1CN(S(=O)(=O)c2ccc(CCl)c(Br)c2)CCN1Cc1ccccc1 2088572151 YSYOFPXSYNQTTF-OAHLLOKOSA-N 457.821 4.083 50 10 JIGE C[C@@H]1CN(S(=O)(=O)c2ccc(Br)c(CCl)c2)CCN1Cc1ccccc1 2088572679 DSGHTRIMDAZINZ-OAHLLOKOSA-N 457.821 4.083 50 10 JIGE Cc1cc(CCl)cc(S(=O)(=O)N(CCN(C)C)Cc2ccccc2)c1Br 2095866827 QRQKOQQDRNXGPQ-UHFFFAOYSA-N 459.837 4.249 50 10 JIGE O=C(N[C@@H]1C[C@H](CBr)[C@@H]2C[C@@H]12)c1ccc(I)c(Cl)c1 2110550331 SADAHLHMOOTJBN-BSTOTGJRSA-N 454.533 4.094 50 10 JIGE CCCN1CC[C@H]([C@H](Br)c2cc(Br)cc(Br)c2)S1(=O)=O 2145770065 RLLKQAUQVVFFOZ-CHWSQXEVSA-N 490.055 4.462 50 10 JIGE CO[C@]1(CBr)CCCN(C(=O)c2c(Br)cccc2Br)C1 2150493925 OFLRFBMHMWQSLJ-AWEZNQCLSA-N 469.999 4.228 50 10 JIGE COc1ccc(O[C@@H]2C[C@@H](Br)[C@H]2OCC(C)C)cc1I 2165551388 MITOTKDZQHHZCE-KCPJHIHWSA-N 455.130 4.256 50 10 JIGE C[C@@H]1[C@H](Br)C[C@H]2CC[C@H]1N2C(=O)c1cc(I)ccc1F 2169660337 BKBBBUJLNWBQHT-ZJIMWXPPSA-N 452.105 4.207 50 10 JIGE CC[C@@H]1[C@H](Br)CCN1C(=O)c1cc(Br)ccc1I 2260380825 YBQONJAYQDXKTJ-ZYHUDNBSSA-N 486.973 4.442 50 10 JIGE O=C(NC[C@H]1CC[C@@H](CBr)CO1)c1cc(Br)sc1Br 2264706175 QMGLAQAVZUEVFL-JGVFFNPUSA-N 476.028 4.193 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1CCC[C@](F)(CBr)C1 2268350381 ISFGDBBNNDACKT-ZDUSSCGKSA-N 460.512 4.284 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1C[C@@H]2CC[C@]2(CBr)C1 2268355074 XXXCNNSHBMFUHY-HZMBPMFUSA-N 454.533 4.192 50 10 JIGE CCOc1cc(C=NNC(=O)c2cccn(CC)c2=O)ccc1OCc1ccccc1Cl 2323626577 LFCLQQKHTCAXNU-UHFFFAOYSA-N 453.926 4.263 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@@]2(CCl)CC[C@H]1C2 2336465144 XPULTWZHRVSRAC-HZMBPMFUSA-N 454.533 4.287 50 10 JIGE Cc1ccccc1[C@@H](C(=O)NC1CCCCC1)N(C[C@@H]1COc2ccccc2O1)C(=O)CCl 3036186 BQYMVBJPTNUETO-NLFFAJNJSA-N 470.997 4.392 50 10 JIGE CC[C@@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(OCc3ccccc3)cc2)c1 10672477 BZJLJPJJGXSZBE-GOSISDBHSA-N 477.586 4.392 50 10 JIGE CC(C)COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccccc1Cl 14667351 ACEQHABYVDZZQS-UHFFFAOYSA-N 484.803 4.087 50 10 JIGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCCCn2ccnc2)cc1 33710472 OVGBEIUBFPKOKL-NKFKGCMQSA-N 478.556 4.414 50 10 JIGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccccc3)nc3ccccn3c2=O)cc1 39858486 DZGVOACGSNIOOE-MNDPQUGUSA-N 480.480 4.209 50 10 JIGE COc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2cccc(OC)c2)cc1 39858574 RADAOPASULGTFB-VKAVYKQESA-N 468.469 4.050 50 10 JIGE CC1=C(C(=O)N/N=C/c2ccccc2Cl)[C@H](c2ccc(Br)cc2)NC(=S)N1 59384836 HYEGMHVFIVVHKT-KQFRHJRUSA-N 463.788 4.046 50 10 JIGE CCN(CCCBr)S(=O)(=O)c1cc(Br)ccc1Br 165686536 CMNYVIZWVDCCCY-UHFFFAOYSA-N 464.017 4.007 50 10 JIGE CCn1ncc(C=NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1C 252631085 VHWHQJNQCWQELQ-UHFFFAOYSA-N 498.243 4.400 50 10 JIGE CC(=NNC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)C(C)(C)C 254607945 MKJJCWTWDGKRGZ-UHFFFAOYSA-N 455.502 4.439 50 10 JIGE C[C@@H]1[C@H](CBr)CCN1C(=O)c1cc(I)ccc1Br 385959797 YRZFQMUNLHEOKN-BDAKNGLRSA-N 486.973 4.299 50 10 JIGE ClCc1cc(I)cc(Br)c1I 575687869 YVZNNGZFXAIOBV-UHFFFAOYSA-N 457.274 4.397 50 10 JIGE CC1=C(C(=O)NN=Cc2ccc(Cl)cc2Cl)[C@H](c2ccc(N(C)C)cc2)NC(=S)N1 1084018215 UDANRORWNDOEBA-IBGZPJMESA-N 462.406 4.003 50 10 JIGE O=C(COc1ccc(C=NNC(=O)CSCc2ccccc2Cl)cc1)NCc1ccco1 1084212157 SYROVMIEADKCAR-UHFFFAOYSA-N 471.966 4.012 50 10 JIGE Cc1ccc(N(CC(=O)NN=Cc2sccc2C)S(=O)(=O)c2ccccc2)cc1Cl 1084501960 FLSATFUROGDMQO-UHFFFAOYSA-N 461.996 4.364 50 10 JIGE Cc1c(C(=O)Nc2ccccc2F)oc2c1C(=NNC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 1772744866 LTLAZPJORZZQNI-UHFFFAOYSA-N 450.426 4.358 50 10 JIGE COc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@H]3c2cc(Br)ccc2F)cc1 1865702476 VVHCAVMKWQEEGZ-LJQANCHMSA-N 455.287 4.309 50 10 JIGE COc1ccc(C(=O)NNC(=O)c2ccc(-c3ccc(Cl)cc3Cl)nc2C)cc1OC 1865759867 WKGARNLCZPVTPT-UHFFFAOYSA-N 460.317 4.456 50 10 JIGE N#CSc1ccc(NC(=O)[C@H](CO)NC(=O)[C@@H](c2ccc(Cl)cc2)C2CCCC2)cc1 1867007759 NMBFMYXBWNYJDB-LEWJYISDSA-N 457.983 4.303 50 10 JIGE N#C/C(=C\c1cc(Br)c(O)c(Br)c1O)c1cc2c(cc1[N+](=O)[O-])OCCO2 1872728862 YFDFFEZMOHBMRY-YCRREMRBSA-N 498.083 4.366 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@H]2CC[C@@]2(CCl)C1 1903983271 JOAAVJMOUXPTSH-QMTHXVAHSA-N 454.533 4.145 50 10 JIGE Cc1sc(Br)cc1S(=O)(=O)N(C)C[C@H](Br)COCc1ccccc1 1916359821 DZBGVXRXLBKFNO-AWEZNQCLSA-N 497.274 4.420 50 10 JIGE C[C@H](Br)[C@@H]1CCN1C(=O)c1ccc(I)c(Br)c1 2011147575 XNRPNQBGZMNPTJ-CPCISQLKSA-N 472.946 4.052 50 10 JIGE O=C(c1csc(Br)c1Br)N1CC[C@@H]2[C@@H](CBr)[C@@H]2C1 2032953270 GJHINKVPMTXHDQ-BWZBUEFSSA-N 458.013 4.376 50 10 JIGE C[C@H](Br)[C@@H]1CCCN1C(=O)c1ccc(I)c(Br)c1 2073319945 IPEJAIVKGCNLPO-UFBFGSQYSA-N 486.973 4.442 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC[C@H]2CC23CCOCC3)C1 2077646395 TVTGKNFCTAJYSO-DNVCBOLYSA-N 465.372 4.024 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1C[C@@H](CBr)C2(CC2)C1 2087791813 GCZDKTHTDOJJOZ-SECBINFHSA-N 454.533 4.192 50 10 JIGE O=C(NC[C@@H](CCl)C(F)(F)F)c1cc(I)ccc1Br 2105269046 HDTZEMKWPXFSFR-ZCFIWIBFSA-N 470.454 4.201 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H](Br)C2(CCC2)C1 2108703253 OXFQYXFLNUCFCC-GFCCVEGCSA-N 498.984 4.443 50 10 JIGE O=C(NC[C@]1(F)C[C@H](CBr)C1)c1ccc(Br)cc1Br 2112241079 ZVFRMVBFKVIUHI-XCSCGOTBSA-N 457.963 4.455 50 10 JIGE BrC[C@H]1CN(Cc2cccc(Br)c2Br)C2(CC2)CO1 2127539695 VDPKUTNOFMYTSQ-NSHDSACASA-N 454.000 4.340 50 10 JIGE Cc1c(Br)ccc([C@H](Br)[C@H]2[C@H]3CS(=O)(=O)C[C@H]32)c1Br 2138876539 QKFLFRFXUNCAOI-PKCZLINISA-N 473.024 4.247 50 10 JIGE C[C@]1(CBr)CC(F)(F)CN1C(=O)c1ccc(F)cc1I 2159048495 FMHTXSTZALWSPA-GFCCVEGCSA-N 462.047 4.065 50 10 JIGE CC(C)(C)OC(=O)N(CC(F)F)[C@@H]1CCCN(C(=O)[C@H](Br)C2CCCC2)C1 2167032887 LFAKXTSVUIXOOS-GDBMZVCRSA-N 453.368 4.433 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2C[C@H]3C[C@H]2C[C@@H]3Br)cc1Br 2172064654 MWXMEYUSLKYJCY-YWVKMMECSA-N 488.039 4.066 50 10 JIGE CC1(C)C[C@@H](CBr)CN(C(=O)c2cc(I)ccc2F)C1 2172573134 WCBGYDNQTHBERF-JTQLQIEISA-N 454.121 4.314 50 10 JIGE Cc1csc(CBr)c1S(=O)(=O)N1C[C@H](C)CN(Cc2ccccc2)C[C@H]1C 2179816498 RTGZUSOLPXBJCK-NVXWUHKLSA-N 471.486 4.483 50 10 JIGE CN(C[C@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(CCBr)s1 2179822509 XLHZMTFJSYZOPE-GOSISDBHSA-N 471.486 4.218 50 10 JIGE C[C@H](c1nscc1Br)N(C)S(=O)(=O)c1csc(CBr)c1 2186581172 MOXFWBRDELGXOT-SSDOTTSWSA-N 460.238 4.244 50 10 JIGE BrCCCC1CN(c2ncc(I)cc2Br)C1 2212355728 UOWFBKMKCYXUNC-UHFFFAOYSA-N 459.951 4.060 50 10 JIGE O=C(N[C@H](CBr)c1cscn1)c1ccc(Cl)c(I)c1 2268339753 IYXYBDMDAUINMA-SNVBAGLBSA-N 471.545 4.267 50 10 JIGE CCOC(=O)[C@@H]1CCCN(c2nc3c(C)cccn3c(=O)c2C=C(C#N)c2nc3ccccc3s2)C1 2296731432 WUJKBHUXPUXFDZ-GOSISDBHSA-N 499.596 4.456 50 10 JIGE CCOc1ccc(C=CC(=O)NC(=S)NNC(=O)c2sc3ccccc3c2Cl)cc1 2313890316 HSGIASOCJLCRQV-UHFFFAOYSA-N 459.980 4.302 50 10 JIGE COc1cccc(C=NNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)c1OCc1ccc(F)cc1 2328833129 GBIJEOBXQBPEEW-NRFANRHFSA-N 473.545 4.413 50 10 JIGE CO[C@]1(CBr)CCCN(Cc2ccc(Cl)c(I)c2)C1 2337222891 FHMVZRKXUAFDSC-AWEZNQCLSA-N 458.565 4.321 50 10 JIGE O=C(N[C@@H]1CC[C@@H]2C[C@@]21CBr)c1ccc(Cl)cc1I 2340056104 CHKGIFFCGMPZNZ-IHPUGEDLSA-N 454.533 4.238 50 10 JIGE Cc1cc(Br)cc(C)c1O[C@H](C)C(=O)NNC(=O)c1ccc(NC(=O)CC(C)C)cc1 14643310 NAYOGQOUCBRTFZ-MRXNPFEDSA-N 490.398 4.279 50 10 JIGE COc1ccc(N(CC(=O)N/N=C(/C)c2ccccc2)S(=O)(=O)c2ccccc2)cc1Cl 33398986 ZEPJORRTQFJVTC-UQQQWYQISA-N 471.966 4.084 50 10 JIGE COc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1 39992851 STNFAECNEUQFLG-JQIJEIRASA-N 456.433 4.180 50 10 JIGE O=C(NNc1ncnc(Nc2ccc(Cl)cn2)c1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 40647088 DVAHQGQBUJZRGK-UHFFFAOYSA-N 475.896 4.452 50 10 JIGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)c2sc3ccccc3c2Cl)c(OC)c1 41007598 NFBAELDDDIVZHW-RVDMUPIBSA-N 470.934 4.452 50 10 JIGE Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/NC(=O)COc2ccc(C)c(Cl)c2)cc1 59148682 JHJJHTKLLJUYQI-AFUMVMLFSA-N 472.950 4.254 50 10 JIGE CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)OCc3cc(=O)n4cc(C)ccc4n3)c2C)cc1 96801505 LMROQCYHAASXIO-XKZIYDEJSA-N 482.540 4.460 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N(C)CC[C@H](C)Br)cc1Br 135772998 FZMIIAPUDXAVTN-VIFPVBQESA-N 478.044 4.314 50 10 JIGE CCOc1ccc(/C=N\NC(=O)c2cccn(Cc3ccccc3Cl)c2=O)c(OCC)c1 169920794 GKHCAQVKFUBKMM-YSMPRRRNSA-N 453.926 4.111 50 10 JIGE CCCOc1ccccc1/C=C(/C#N)C(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1 206984805 ZEEGJLGUUIHFKB-HKWRFOASSA-N 491.573 4.229 50 10 JIGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\NCCc1cccc(Cl)c1 217254392 YVSWHJDVEIRMNI-QINSGFPZSA-N 465.722 4.431 50 10 JIGE C[C@@H](Br)C(C)(C)NC(=O)c1cc(Br)ccc1I 235106588 WKYSXZTWEVLNIV-SSDOTTSWSA-N 474.962 4.346 50 10 JIGE O=C(COc1ccc(C=NNC(=O)c2ccccc2Br)cc1)Nc1ccc([N+](=O)[O-])cc1 252616761 KEVSCWSMGGTFDM-UHFFFAOYSA-N 497.305 4.139 50 10 JIGE CC(C)c1ccc(C=c2sc3n(c2=O)C(N)=C(C#N)[C@H](c2ccc(C(C)C)cc2)C=3C#N)cc1 254748763 GHHMWLKYRKVOBE-VWLOTQADSA-N 466.610 4.108 50 10 JIGE CC[C@H](NC(=O)c1cc(I)ccc1Br)[C@@H](C)Br 386644382 ANKICQUBCNYIDP-HQJQHLMTSA-N 474.962 4.346 50 10 JIGE CC(C)(C)[C@H](CBr)NS(=O)(=O)c1cc(Br)ccc1Br 393983383 WJABKJOJYYIKSX-NSHDSACASA-N 478.044 4.300 50 10 JIGE O=C(COC(c1ccccc1)c1ccccc1)NNC(=O)c1cc(F)ccc1Br 728550670 ANQNAFUOLKOVTB-UHFFFAOYSA-N 457.299 4.155 50 10 JIGE CN(Cc1ccc2c(c1)OCO2)C(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1 818038708 HTIILEQGTJZTAP-UNOMPAQXSA-N 473.920 4.411 50 10 JIGE NNC(=O)c1cc(Br)cc(Br)c1OCc1ccc(F)cc1Cl 953077493 WMQXYEAGVXPSHE-UHFFFAOYSA-N 452.505 4.187 50 10 JIGE O=C(Cn1cnc2ccccc21)NN=Cc1cc(Br)ccc1OC(=O)/C=C\c1ccco1 1084621074 RUZZJXIZQKTNKO-SZZRTXOMSA-N 493.317 4.161 50 10 JIGE O=C(Cc1ccc(Cl)cc1)NNC(=O)c1c[nH]c2cc(Br)c(Br)cc12 1087657288 ZXWOZLVCNHSJPY-UHFFFAOYSA-N 485.563 4.350 50 10 JIGE CC(=O)N1Cc2ccc(NC(=O)NNC(=O)c3cc4c(s3)CC[C@H](C(C)(C)C)C4)cc2C1 1562450690 ZKWKAYPINJCBLS-SFHVURJKSA-N 454.596 4.228 50 10 JIGE CC(=O)N1C[C@H](CI)[C@H](c2cc(Br)ccc2Br)C1 1614632795 FJDGGZBQVAZWRO-JOYOIKCWSA-N 486.973 4.209 50 10 JIGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(OC(F)(F)F)cc2Cl)cc1 1673231776 RNCOGJZSHAELTC-LLVKDONJSA-N 459.808 4.061 50 10 JIGE COc1ccc(OC)c(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccs2)CCC3)c1 1772750022 VQIJUCJMPXPCBP-UHFFFAOYSA-N 453.520 4.389 50 10 JIGE Cc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc([N+](=O)[O-])cc1)C(C#N)=C(N)O2 1865713454 ZPTIVMOMZYQPRS-GOSISDBHSA-N 452.268 4.070 50 10 JIGE CC1(C)CN(S(=O)(=O)c2cc(Cl)c(Br)s2)C[C@H]1CBr 1914031285 BSHSKWWYHMDACR-SSDOTTSWSA-N 451.633 4.206 50 10 JIGE CCN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(CCl)cc1Br 1915020672 WFGISFJMESFHRB-GOSISDBHSA-N 471.848 4.473 50 10 JIGE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)C[C@@H](CBr)C(C)(C)C 1959577409 ZNPSUILQKGDUDA-MRXNPFEDSA-N 480.488 4.395 50 10 JIGE Cc1nc(C(=O)N(C)C[C@H](Br)COCc2ccccc2)c(Br)s1 1980605127 LCZAPBOMZGXMLH-ZDUSSCGKSA-N 462.207 4.266 50 10 JIGE Cc1cc(C=C(C#N)C(=O)OCC(=O)N[C@@](C)(C#N)C(C)C)c(C)n1-c1ccc(Br)cc1 2042438689 JYVHJIJSCVRXNA-DEOSSOPVSA-N 497.393 4.361 50 10 JIGE CC(C)[S@](=O)(=NC[C@H](Br)C(F)(F)F)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2063273279 KWXIHXZKMIIICK-PUXAFBORSA-N 451.349 4.198 50 10 JIGE CCOc1cnccc1-n1nc(CBr)c(I)c1C(F)(F)F 2078915568 JADUTZGOSQKJIS-UHFFFAOYSA-N 476.034 4.184 50 10 JIGE C[C@H]1CC[C@@H](Br)CN1C(=O)c1ccc(Br)cc1I 2086151562 PMBSBNXZBWQBDP-WCBMZHEXSA-N 486.973 4.442 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@@H]2[C@H](CCl)C[C@H]2C1 2142288419 KIZVVDBVPPCYKD-HOTUBEGUSA-N 454.533 4.001 50 10 JIGE O=S(=O)(c1ccc(CCl)c(Br)c1)N1C[C@@H]2CCN(Cc3ccccc3)[C@H]2C1 2188888927 WYZVMDOLGZEBIE-PXNSSMCTSA-N 469.832 4.083 50 10 JIGE O=S1(=O)C[C@@H]2[C@H]([C@@H](Br)c3c(F)cc(Br)c(F)c3Br)[C@@H]2C1 2288481948 BVYGRPWABJJWOU-LRXXKQTNSA-N 494.977 4.216 50 10 JIGE COc1ccccc1C(=O)Nc1ccc(C(=O)NN=Cc2cc(Br)cc(OC)c2O)cc1 2297681027 HWNFYQVMPWWKCQ-UHFFFAOYSA-N 498.333 4.188 50 10 JIGE BrC[C@@H]1[C@@H]2C[C@@H]2CN1Cc1ccc(I)c(Br)c1 2306217382 PEMJBRACIQDOSF-GIPNMCIBSA-N 470.974 4.269 50 10 JIGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 2314736979 FIUAZNIMPJNAKP-UHFFFAOYSA-N 457.442 4.046 50 10 JIGE CCOc1ccc(C=C(C#N)C(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2)cc1 2314754749 ZZIRTFBAOKJADM-UHFFFAOYSA-N 467.481 4.414 50 10 JIGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 2314789734 YLELBUKTAFRUDP-GOSISDBHSA-N 450.535 4.027 50 10 JIGE O=C(COc1cccc2ccccc12)NNC(=S)NC(=O)c1ccccc1OCCc1ccccc1 10510833 IPWDPLPOURPJPB-UHFFFAOYSA-N 499.592 4.176 50 10 JIGE CCc1ccc(OCC(=O)NNC(=O)COc2ccccc2-c2ccccc2)c(Br)c1 13979968 BSCOMPGQEPHTBF-UHFFFAOYSA-N 483.362 4.284 50 10 JIGE Cc1cccc(OCC(=O)NNC(=O)c2cc(Br)ccc2OCCc2ccccc2)c1 14665551 VYGRSIWXMYQVFK-UHFFFAOYSA-N 483.362 4.219 50 10 JIGE COc1cc(Br)c(/C=C(/C#N)c2nn(-c3ccccc3)c(N)c2C#N)cc1OC 33406151 JIDOTIZYMIYDSG-ZSOIEALJSA-N 450.296 4.170 50 10 JIGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(F)cc4)ccc32)cc1OC 38658388 PZAHBXDBTLQWEX-VWLOTQADSA-N 476.460 4.045 50 10 JIGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)c(OC)c1 38688441 VDYSBQMREABWRS-RUZDIDTESA-N 496.475 4.248 50 10 JIGE CC1(C)C[C@H](Br)CCN(C(=O)c2cc(I)ccc2O)C1 395366274 ZKUZAJSJRLULBE-SNVBAGLBSA-N 452.130 4.023 50 10 JIGE Cc1occc1C(=O)NN=Cc1ccc(OCc2ccccc2C#N)c(I)c1 1084349006 CMEUSXMSXMDAPF-UHFFFAOYSA-N 485.281 4.407 50 10 JIGE COc1ccc(N([C@H](C)C(=O)NN=Cc2cc(C)n(-c3c(C)cccc3C)c2C)S(C)(=O)=O)cc1 1084453958 ROXRURAEIZBQAA-OAQYLSRUSA-N 496.633 4.024 50 10 JIGE COc1cccc(N2CCC(NC(=O)/C(C#N)=C/c3cn(CCC#N)nc3-c3ccccc3)CC2)c1 1318062595 DIPCJUBFHJNTOB-OQKWZONESA-N 480.572 4.165 50 10 JIGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)cc1OC 1865706960 JZUSUUMDVDQKJB-GOSISDBHSA-N 474.414 4.325 50 10 JIGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CC(C)C)cc1 1865708517 ALZXVZHPICXAIL-OAQYLSRUSA-N 458.518 4.219 50 10 JIGE CC[C@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)Nc1ccc(SC#N)cc1 1866878002 QGANVHOZAPAIMW-VQTJNVASSA-N 467.620 4.131 50 10 JIGE CC(C)(C)OC(=O)N1C[C@@H](I)[C@H](OCCCOCc2ccccc2)C1 1880150297 XSKVTPLNQWFWHD-IAGOWNOFSA-N 461.340 4.033 50 10 JIGE CN(CCN(Cc1ccccc1)S(=O)(=O)C1CC(CBr)C1)Cc1ccccc1 1885393287 NPUVQHCEEBQAKC-UHFFFAOYSA-N 465.457 4.124 50 10 JIGE O=C(N[C@H]1C[C@@H]([C@H](F)CBr)C1)c1cc(Cl)ccc1I 1906433171 DAMWHOUZLVVAKF-POZPLHJXSA-N 460.512 4.186 50 10 JIGE CCN(CCOCCBr)C(=O)c1csc(Br)c1Br 2032953702 OLSUHQGDAAKXKE-UHFFFAOYSA-N 464.017 4.147 50 10 JIGE O=C(CCCl)NC(=O)Nc1cc(Br)c(Br)c(Br)c1 2034339671 QYUIFBIEURSGOI-UHFFFAOYSA-N 463.351 4.251 50 10 JIGE COc1cc(NCCSSCCNC(=O)OC(C)(C)C)c(N)cc1Br 2082449414 MZGOUJAOXZKUFQ-UHFFFAOYSA-N 452.440 4.358 50 10 JIGE Cn1nccc1CC(CBr)(CBr)c1ccccc1Br 2094277288 VEUQPXVCQIILCR-UHFFFAOYSA-N 451.000 4.453 50 10 JIGE CN(Cc1cn(C)nc1Br)c1cccc(Br)c1CBr 2116624996 SJHHMWSHIXIZPL-UHFFFAOYSA-N 451.988 4.476 50 10 JIGE O=C(c1sccc1I)N1CC[C@@H]2CC[C@@H](Br)C[C@H]2C1 2139238225 MORXCHLVVADTIB-GARJFASQSA-N 454.171 4.378 50 10 JIGE O=S(=O)(c1ccc(CCl)cc1Br)N1C[C@H]2C[C@H]1CN(Cc1ccccc1)C2 2160684507 ZCAYQGWMBFXZMC-ROUUACIJSA-N 469.832 4.083 50 10 JIGE COc1ccc([C@@H](Br)c2cn(C)nc2Br)c(OC)c1Br 2173185096 ZESRSLXLLQLJNG-SNVBAGLBSA-N 468.971 4.447 50 10 JIGE CC[C@H]1CN(S(=O)(=O)c2cc(F)ccc2CBr)CCN1Cc1ccccc1 2179784544 AMHMUTFAOUGHDL-IBGZPJMESA-N 455.393 4.006 50 10 JIGE CN(C[C@H]1CCCCN1Cc1ccccc1)S(=O)(=O)c1cccc(CBr)c1 2179808109 DHILHULAVMGEHV-HXUWFJFHSA-N 451.430 4.257 50 10 JIGE O=S(=O)(c1ccc(CBr)s1)N1CCN(Cc2ccccc2)C[C@@H]1C(F)(F)F 2186716999 YVYOZPVNVWUOGU-OAHLLOKOSA-N 483.375 4.080 50 10 JIGE N#CC(=Cc1ccc(OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1)C(=O)NCc1ccco1 2314753208 LJPVKWDRVBOQEX-UHFFFAOYSA-N 451.822 4.284 50 10 JIGE COc1ccc([C@@H](C)NC(=O)C(C#N)=CNc2ccc(I)cc2)cc1OC 2325051652 XRLUJJITZYZSGD-CYBMUJFWSA-N 477.302 4.005 50 10 JIGE C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)NN=Cc4ccccc4Br)c(=O)c23)C1 2325903255 LIBBNDKHCFWSFU-STQMWFEESA-N 473.396 4.057 50 10 JIGE CC(F)(F)C[C@H](CBr)NC(=O)c1ccc(Cl)cc1I 2340067479 CMBGOXBMQPJMGJ-MRVPVSSYSA-N 466.491 4.483 50 10 JIGE COc1cc(Br)c([C@@H](Br)c2c(Br)ncn2C)cc1OC 2362492491 MCPTWYMVRAUGAX-LLVKDONJSA-N 468.971 4.447 50 10 JIGE CC(C)c1cc(Br)ccc1OCC(=O)NNC(=O)CCC(=O)Nc1ccccc1Cl 9231611 FBFLPWTYCLNKSG-UHFFFAOYSA-N 496.789 4.171 50 10 JIGE COc1ccc(Br)cc1C(=O)NNC(=O)c1ccccc1OCc1ccccc1 9695925 RMYGYFXYTVHLSZ-UHFFFAOYSA-N 455.308 4.112 50 10 JIGE CC[C@H](C)c1ccccc1O[C@@H](C)C(=O)NNC(=O)CCC(=O)Nc1cccc(Cl)c1C 9872163 MEQRRCJPYDAMNZ-RDJZCZTQSA-N 459.974 4.496 50 10 JIGE CC(C)CC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2sc3ccccc3c2Cl)cc1 13979031 ZHDKTCRSRPKHKN-UHFFFAOYSA-N 489.022 4.489 50 10 JIGE Cc1cc(Br)cc(C)c1OCC(=O)NNC(=O)[C@H](C)Oc1ccc2ccccc2c1 14031672 HXJBGGZOAVCOOP-INIZCTEOSA-N 471.351 4.213 50 10 JIGE CCC(C)(C)c1ccc(OCC(=O)NNC(=O)CCC(=O)Nc2cccc(Cl)c2C)cc1 14784119 MMROPJKOTVUYRK-UHFFFAOYSA-N 459.974 4.281 50 10 JIGE COc1cc(/C=C(/C#N)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCO3)ccc1OCCC(C)C 33685155 OLNCWZGTNRJLBS-YVLHZVERSA-N 467.478 4.345 50 10 JIGE Nc1c(NNC(=O)c2cccc(Cl)c2)ncnc1Nc1ccc(Br)cc1F 40785237 FCLLNPJPHRZQCR-UHFFFAOYSA-N 451.687 4.114 50 10 JIGE O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)N/N=C/c1cccc(Br)c1 58987056 HNXFWBYVENAVPC-QGMBQPNBSA-N 451.327 4.209 50 10 JIGE C=CCn1c(SCC(=O)N/N=C/c2ccccc2OCc2ccccc2)nnc1-c1cccnc1 58990440 BUAGDFNNGAZIMP-OGLMXYFKSA-N 484.585 4.348 50 10 JIGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCC#N 59335384 RUXORCGLNSOIPW-DHDCSXOGSA-N 473.270 4.056 50 10 JIGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)c1ccccc1)CCC2 101591885 ZXYQJYSZHXZUQP-OVVQPSECSA-N 499.354 4.440 50 10 JIGE CC[C@H](CCBr)NS(=O)(=O)c1cc(Br)ccc1Br 134627351 CHXBMBPLBUDYDI-SECBINFHSA-N 464.017 4.054 50 10 JIGE COc1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc([N+](=O)[O-])c2)cc1 205645574 QSDSADZOWZACME-VWFRCSCGSA-N 469.453 4.440 50 10 JIGE CCOc1cc(C=NNC(=O)COc2ccc(C)cc2[N+](=O)[O-])ccc1OCc1ccccc1 254480176 UEECVPYJYLQHMV-UHFFFAOYSA-N 463.490 4.410 50 10 JIGE Cc1ccccc1-c1noc(COC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)n1 761387137 DXLYXLKOWWAEKQ-XSFVSMFZSA-N 464.485 4.473 50 10 JIGE COc1cc(NC(=O)COC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(F)cc3)c2C)cc(OC)c1 786604681 AUFOXPOYIZFJQI-GRSHGNNSSA-N 477.492 4.339 50 10 JIGE COc1ccccc1[C@@H](CNC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1)N1CCCC1 914846909 AGNRHFZXERCNPQ-ARYJOXFRSA-N 494.599 4.333 50 10 JIGE C/C(=C\c1c(Cl)cccc1Cl)C(=O)NNC(=O)c1nn(C(C)C)c(=O)c2ccccc12 1135538723 XQGZEHIDNRKJPD-ACCUITESSA-N 459.333 4.149 50 10 JIGE C[C@@H]1C[C@H](Br)[C@H](Br)C[C@H]1[C@H](Br)C(Br)=[N+]([O-])O 1615947803 JUPMDFYGLRIECU-CBQIKETKSA-N 486.824 4.016 50 10 JIGE C=CCN1C(=O)c2ccc(C(=O)NNc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2C1=O 1628398352 NTRNOBMKOHVHBN-UHFFFAOYSA-N 457.330 4.263 50 10 JIGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@@H](c2ccc(O)cc2O)C(C#N)=C(N)O3)cc1 1865681845 YLSARFNODPPGKV-QHCPKHFHSA-N 466.497 4.236 50 10 JIGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N(Cc1ccccc1)[C@@H](CCl)C1CC1 1915153780 WGGYWMBUSSBGDP-QHCPKHFHSA-N 489.037 4.302 50 10 JIGE O=C(N[C@@H](CBr)C[C@@H]1CCCO1)c1cc(Br)sc1Br 1926779964 KJTGVCNHDOBLNF-SFYZADRCSA-N 476.028 4.336 50 10 JIGE CCOc1c(CBr)ccc(I)c1I 2060220586 YWCPLXZVRVTEQS-UHFFFAOYSA-N 466.882 4.189 50 10 JIGE C[C@@]1(NC(=O)c2cc(Br)ccc2I)CCC[C@@H]1Br 2062574074 PCVGMAKPWUVZOU-WCQYABFASA-N 486.973 4.490 50 10 JIGE C[C@H](Nc1ncc(I)cc1Br)c1nnc(CCl)s1 2072469973 SXGFOIQAHDPPKZ-YFKPBYRVSA-N 459.538 4.212 50 10 JIGE CCN(C[C@](C)(CI)OC[C@H]1C[C@]12CCCOC2)C(=O)OC(C)(C)C 2077654256 NYQYAGVXOFUSNZ-MNEFBYGVSA-N 467.388 4.270 50 10 JIGE C[C@@]1(CBr)CCCN1C(=O)c1ccc(Br)cc1I 2086138998 JILJATIDDHMJBB-ZDUSSCGKSA-N 486.973 4.443 50 10 JIGE CN(C(=O)c1ccc(Br)cc1I)C1(CCBr)CC1 2086146054 UVYPBYYGPDMMOV-UHFFFAOYSA-N 486.973 4.443 50 10 JIGE O=C(N[C@H]1C[C@H]2C[C@H]1C[C@@H]2Br)c1cc(I)ccc1Br 2104410936 JJBDZZRJQDLXJY-HTEOGMQZSA-N 498.984 4.346 50 10 JIGE O=C(NC[C@@H](Cl)CC(F)(F)F)c1cc(I)ccc1Br 2119065799 ICQANRKCDZESIC-LURJTMIESA-N 470.454 4.343 50 10 JIGE O=C(NC1CC([C@H](F)CCl)C1)c1ccc(Br)cc1I 2142283225 NGRMUZPOGATATH-LKXRVVKTSA-N 460.512 4.139 50 10 JIGE C[C@@H]1CN(Cc2ccccc2)CCN(S(=O)(=O)c2ccc(Br)c(CCl)c2)C1 2144830936 VHOWTPAHSJTQCS-MRXNPFEDSA-N 471.848 4.331 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@H]([S@](C)(=O)=NC(=O)c2ccc(CBr)cc2)C1 2162872925 PAEKAGPXEMBNHP-OQRWROFFSA-N 459.406 4.219 50 10 JIGE CC[C@H]1CN(S(=O)(=O)c2cc(CBr)ccc2C)CCN1Cc1ccccc1 2179788376 BPHUTWXAWWUQGD-FQEVSTJZSA-N 451.430 4.175 50 10 JIGE C[C@H]1CCN(S(=O)(=O)c2ccc(F)c(CBr)c2)CCN1Cc1ccccc1 2179789802 VYFBCFRGTBITGE-INIZCTEOSA-N 455.393 4.006 50 10 JIGE CCc1ccc(S(=O)(=O)N2CC[C@@H](COCc3ccccc3)C2)cc1CBr 2179861189 DGPBJBFEOLQLQL-GOSISDBHSA-N 452.414 4.371 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@@H]2CC[C@@]2(CBr)C1 2198876360 ASZHGADYEHTRHP-TVQRCGJNSA-N 488.039 4.007 50 10 JIGE Cc1ccc(C(=O)N2CC(F)(F)C[C@@]2(C)CBr)cc1I 2232824539 ATVXZGFXFOXGOD-ZDUSSCGKSA-N 458.084 4.234 50 10 JIGE O=C(Cc1ccccc1I)N1CCC[C@@H](CCCBr)C1 2234191118 QKPDUULBCWYTBH-CYBMUJFWSA-N 450.158 4.247 50 10 JIGE Cc1ccc(I)c(C(=O)N2C[C@@H](CCBr)C(C)(C)C2)c1 2240925616 PQJYIJYVQVDTFD-GFCCVEGCSA-N 450.158 4.483 50 10 JIGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(Cl)s2)cc1 2296840368 FAPQHVGKZKWQHB-UHFFFAOYSA-N 452.967 4.389 50 10 JIGE C=CCOc1ccc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1I 2313566875 CHMZNISXPVLIAN-UHFFFAOYSA-N 499.352 4.112 50 10 JIGE Cc1ccc(C=CC(=O)NNC(=O)COc2c(C)cc(Br)cc2Br)cc1 2313617363 NPTCYCFVVOMGBL-UHFFFAOYSA-N 482.172 4.068 50 10 JIGE O=C(CN1C(=O)C(=Cc2ccc(-c3ccccc3)o2)SC1=S)Nc1nnc(CCl)s1 2314490020 VLELADKUIWFIAU-UHFFFAOYSA-N 476.992 4.377 50 10 JIGE CC1(C)CC(NC=C(C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)CC(C)(C)N1 2324605312 COGIFFOSIZDTAS-UHFFFAOYSA-N 485.676 4.226 50 10 JIGE COC(=O)c1ccc(NC=C(C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 2324607168 KWVLILTWNABVCF-UHFFFAOYSA-N 480.568 4.226 50 10 JIGE C[C@H]1CN(Cc2ccc(I)c(Br)c2)C[C@H](CBr)O1 2325213598 VDZCAFHNVYVZAP-ONGXEEELSA-N 488.989 4.038 50 10 JIGE O=C(NN=C1C(=O)N(Cc2ccccc2Cl)c2ccccc21)c1cc2ccccc2oc1=O 2326841442 ASTXIVGEJCVLDO-UHFFFAOYSA-N 457.873 4.127 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1C[C@H]2CC[C@H]1C[C@H]2Br 2337154970 GOAWKEQNSCCZDN-OUAUKWLOSA-N 454.533 4.333 50 10 JIGE CN(Cc1c(Br)c(Br)nn1C)CC1(CBr)CCCC1 2338944374 MGKFPQHHKMWEPX-UHFFFAOYSA-N 458.036 4.332 50 10 JIGE FC(F)(CI)C(F)(F)CNCCOc1ccc(Br)cc1 2361675008 RFFKZTLOQAKUAQ-UHFFFAOYSA-N 470.042 4.123 50 10 JIGE O=C(c1ccc(I)cc1)N1CCC[C@H](Br)[C@H]1C(F)(F)F 2370236758 AUJAZLMXNUMVOU-QWRGUYRKSA-N 462.047 4.222 50 10 JIGE COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OC)c(OC(=O)c3ccc(OC)cc3)c2)cc1 3242708 JHPBDZKZAFSCFS-RGEXLXHISA-N 458.470 4.477 50 10 JIGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2OCc2ccccc2)cc1 14030925 YZARANCXQBTZKF-UHFFFAOYSA-N 477.586 4.394 50 10 JIGE CC(C)COc1ccccc1C(=O)NC(=S)NNC(=O)c1ccccc1OCc1ccccc1 14035454 XULFDAZPCOSPKX-UHFFFAOYSA-N 477.586 4.250 50 10 JIGE CC(C)COc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(Cl)cc2)cc1Br 14654251 PQWPPJTUFOPION-UHFFFAOYSA-N 484.803 4.087 50 10 JIGE CCOc1ccc(Nc2ncnc(NNC(=O)C(c3ccccc3)c3ccccc3)c2N)cc1 40782688 NNBCFKKGPLNJOF-UHFFFAOYSA-N 454.534 4.476 50 10 JIGE COc1ccccc1/C=C(\C#N)C(=O)Oc1ccc2cc(C(=O)NCCc3ccccc3)c(=O)oc2c1 40894425 BFXJOSQZUNQYDQ-PXLXIMEGSA-N 494.503 4.287 50 10 JIGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccccc2Br)cc1 40988481 JYPNXSDHMSPUMY-GHRIWEEISA-N 457.324 4.257 50 10 JIGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)/C=C/c1ccc(C(C)C)cc1 41012330 RSVHXFJPPHGPCU-CACINPSDSA-N 460.530 4.203 50 10 JIGE CN(C)c1ccc(C(=O)N/N=C2\C(=O)N(CCc3ccccc3)c3ccc(Br)cc32)cc1 59146626 OJUCSQGTNJYVBJ-VYIQYICTSA-N 491.389 4.239 50 10 JIGE ClCc1cc(I)cc(I)c1Br 575687628 WHNMHTNPWCWRLA-UHFFFAOYSA-N 457.274 4.397 50 10 JIGE ClCc1c(Br)ccc(I)c1I 575687801 YLXWHFFRPKJOEY-UHFFFAOYSA-N 457.274 4.397 50 10 JIGE O=C(N[C@@H]1CCC[C@H](Br)C1)c1cc(I)ccc1Br 694515050 LOSDVHICCOKIRJ-WCBMZHEXSA-N 486.973 4.490 50 10 JIGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cccc(C(F)(F)F)c2)c2ccccc2F)cc1 1084045715 PYLYLEQEYCRXTH-UHFFFAOYSA-N 493.482 4.499 50 10 JIGE Nn1c(SCCCC(=O)NN=Cc2ccc(Cl)cc2)nnc1-c1ccc(Br)cc1 1084207868 NSBKGYYKRQZGRR-UHFFFAOYSA-N 493.818 4.097 50 10 JIGE Cc1ccc(OCC(=O)NN=Cc2cc(Br)cc(Br)c2O)cc1Cl 1084215457 XYWPBQKFMVUWHA-UHFFFAOYSA-N 476.552 4.408 50 10 JIGE O=C(NN=Cc1cc2c(cc1Br)OCO2)C(=O)Nc1ccc(Oc2ccccc2)cc1 1084439967 RZBTWAPVEPQYOY-UHFFFAOYSA-N 482.290 4.059 50 10 JIGE Cc1nn(Cc2ccccc2Cl)c(C)c1C=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F 1084579751 LZIZEUKDWQITTE-UHFFFAOYSA-N 458.765 4.485 50 10 JIGE CC(C)(C)OC(=O)NCc1cccc(NS(=O)(=O)c2ccc(CBr)cc2)c1 1260508306 KFCDNKXDGMILCT-UHFFFAOYSA-N 455.374 4.407 50 10 JIGE C#Cc1cccc(NC(=S)NNC(=O)c2ccc(-n3nccc3-c3ccc(F)cc3)cc2)c1 1455418120 WJSWCTKEKDUUSG-UHFFFAOYSA-N 455.518 4.291 50 10 JIGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CCNC(=O)C3CCCCC3)cc2)cc1 1858991886 JSPCFFSZCPADPN-UHFFFAOYSA-N 486.619 4.009 50 10 JIGE CCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865695533 DOJIDHKCPJOILC-IBGZPJMESA-N 469.314 4.319 50 10 JIGE O=C(c1cc(Br)ccc1Br)N1C[C@H]2CC[C@]2(CBr)C1 1903985263 WDXKURUZCHLDCG-OTYXRUKQSA-N 451.984 4.459 50 10 JIGE CC(C)(CI)CN(CCCNC(=O)OC(C)(C)C)CC(F)(F)F 1904648987 NXSUVHIXOUJLAW-UHFFFAOYSA-N 452.299 4.227 50 10 JIGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CC[C@]2(CCC[C@@H]2Br)C1 1918920599 JUJJAZIIHPHNJM-JOYOIKCWSA-N 463.644 4.492 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1[C@@H]2C[C@@H]3[C@@H]1N(C(=O)OC(C)(C)C)C[C@@H]3C2 2010827146 MRPMCUQLCDLRTL-TXTZMMAHSA-N 473.705 4.126 50 10 JIGE Cc1cc(C(=O)N(C)C[C@@H](Cl)COCc2ccccc2)ccc1I 2026130231 CYPSFWBPTFMTIH-QGZVFWFLSA-N 457.739 4.496 50 10 JIGE C[C@@](CBr)(NC(=O)c1cc(Br)ccc1I)C1CC1 2029955998 BYLQHHOPTTWMBV-ZDUSSCGKSA-N 486.973 4.347 50 10 JIGE C[C@H]1C[C@H]1N(CCBr)C(=O)c1cc(I)ccc1Br 2048205482 OUHXHSAMGWRPRF-QPUJVOFHSA-N 486.973 4.299 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CC=CC[C@@H]1CBr 2056314553 HVSQFPRSQYKDIP-SNVBAGLBSA-N 484.957 4.219 50 10 JIGE FC1(F)CN(c2ncc(I)cc2Br)CC[C@H]1CCl 2069531374 HPGRQBMHSFPXKA-ZETCQYMHSA-N 451.480 4.149 50 10 JIGE O=C(NC[C@H](CBr)C1CCC1)c1ccc(I)c(Cl)c1 2089960835 MPNRIQIXYIYZCH-NSHDSACASA-N 456.549 4.486 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@H]2C[C@H]1CC[C@H]2Br 2144894114 PMXCXQCDESODQB-FBIMIBRVSA-N 488.039 4.148 50 10 JIGE C[C@@H]1CCN(Cc2ccccc2)CCN1S(=O)(=O)c1ccc(CCl)cc1Br 2153290188 RGPBTPFNLXHWHO-MRXNPFEDSA-N 471.848 4.473 50 10 JIGE Cc1ccc(CBr)cc1S(=O)(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 2179786890 HKQVHXRBFWLZQQ-FQEVSTJZSA-N 451.430 4.175 50 10 JIGE CCN1CCC[C@H]([C@@H](Cl)c2ccc(Br)cc2I)S1(=O)=O 2207268677 NBBGKAAUMGONQJ-OLZOCXBDSA-N 492.604 4.148 50 10 JIGE BrC[C@]12CN(Cc3cccc(Br)c3Br)C[C@H]1CCO2 2231270551 RMQFFYUXKNQTCI-RISCZKNCSA-N 454.000 4.197 50 10 JIGE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc2c(c1)CCN2CCCCl 2296079641 TUYDMNZCCBZQRW-UHFFFAOYSA-N 488.769 4.107 50 10 JIGE CN(C(=O)c1csc(I)c1)[C@@H](CBr)Cc1ccccc1 2296326918 JMIJODZHFAUAGN-CYBMUJFWSA-N 464.166 4.431 50 10 JIGE COc1ccccc1NC(=O)C(C#N)=CN1CCN(C(c2ccccc2)c2ccccc2)CC1 2324241673 JQMZZUAUDORIDG-UHFFFAOYSA-N 452.558 4.448 50 10 JIGE COc1ccccc1NC=C(C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324598897 AQJZXJOHGRZUDG-UHFFFAOYSA-N 452.558 4.448 50 10 JIGE O=C(c1ccc(Cl)cc1I)N(CCBr)CC(F)(F)F 2340063746 MCXKWOKQFLLSDZ-UHFFFAOYSA-N 470.454 4.344 50 10 JIGE COc1cc(OC)c([C@H]2C(C#N)=C3N=C(N)c4ccccc4N3C3=C2C(=O)CC(C)(C)C3)cc1OC 3654552 XHGMTYRVYNLXRM-DEOSSOPVSA-N 484.556 4.413 50 10 JIGE CC(C)COc1ccc(C(=O)NNC(=O)COc2ccc(C(C)C)cc2)cc1Br 14652888 CRJLYBKUOFUSOF-UHFFFAOYSA-N 463.372 4.447 50 10 JIGE C/C(=N\NC(=O)COc1c(Br)cc(C)cc1Br)c1ccc(O)cc1 20072715 UGIHBCQGBIYGFB-RGVLZGJSSA-N 456.134 4.145 50 10 JIGE O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc2c(=O)n3c(nc2c1)CCCCCC3 21286779 DMMJIQNEJREIEF-UHFFFAOYSA-N 475.427 4.197 50 10 JIGE CCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)OC)cc2OC)cc1OCC 33378390 XYJNBRNCOVGPKN-VIVFWABWSA-N 451.475 4.191 50 10 JIGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1C 38654886 YOVAQRZSXLSMGM-RUZDIDTESA-N 471.469 4.414 50 10 JIGE O=C(N/N=C1\C(=O)N(CCc2ccccc2)c2ccccc21)[C@@H]1COc2cc3ccccc3cc2O1 103874638 JREAVWWFFWXDCK-LCAQPBRCSA-N 477.520 4.089 50 10 JIGE C[C@@H](CCBr)CCOc1c(I)cc(C#N)cc1[N+](=O)[O-] 116049242 UFAOJWXWMCPRAL-VIFPVBQESA-N 453.074 4.261 50 10 JIGE CCOC(=O)c1cnn(-c2cc(C)c3cccc(C)c3n2)c1NC(=O)[C@@H](Br)CC 170509061 GFTFYCOFZJUCOE-INIZCTEOSA-N 459.344 4.326 50 10 JIGE COc1ccc(Br)cc1C=NNC(=O)CCC(=O)Nc1ccc(C(F)(F)F)cc1 254410151 DKXMVSXCKHYYFH-UHFFFAOYSA-N 472.261 4.346 50 10 JIGE O=S(=O)(c1cc(CCl)ccc1Br)N1CCCN(Cc2ccccc2)CC1 323401524 NIXICQOMJGHTTR-UHFFFAOYSA-N 457.821 4.085 50 10 JIGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@@H](c2cc(Br)ccc2N)C1 382731617 UTPLLBDNGXTGOW-MFKMUULPSA-N 481.172 4.417 50 10 JIGE O=C(Cc1nc(CCl)cs1)Nc1ccc(I)cc1Br 388361934 IIGKNZVYXMGIFS-UHFFFAOYSA-N 471.545 4.430 50 10 JIGE O=C(c1ccc(F)cc1I)N1C[C@H]2C[C@H](Br)CC[C@H]2C1 398744693 RJSVNPQBDDWSDA-HBNTYKKESA-N 452.105 4.066 50 10 JIGE CCCn1nnnc1COc1c(Br)cc(Br)cc1CBr 697807927 JCSPCCJMKOUIPZ-UHFFFAOYSA-N 468.975 4.082 50 10 JIGE Cc1cc(OCc2ccc(C(=O)NNC(=O)NCc3ccc(C#N)cc3F)cc2)ccc1Cl 729879634 IRJOKNHYXKDCFC-UHFFFAOYSA-N 466.900 4.382 50 10 JIGE O=C(NN=C1C(=O)N(CCc2ccccc2)c2ccc(Br)cc21)c1ccc([N+](=O)[O-])cc1 1083906955 DWNKRJFHFGZPOP-UHFFFAOYSA-N 493.317 4.081 50 10 JIGE C[C@H](Oc1cccc2cccnc12)C(=O)NN=Cc1cc(Br)cc(Br)c1O 1084180121 JELODXVBFPGHAV-NSHDSACASA-N 493.155 4.383 50 10 JIGE CC(=O)N1CCN(C(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)[C@@H](C)C1 1543903035 OPQOCTMYCZWGQP-VBNMEBLOSA-N 458.484 4.099 50 10 JIGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(OC)cc1OC)C(C#N)=C(N)O2 1865708062 NDZORFZEXIMPKU-FQEVSTJZSA-N 481.350 4.433 50 10 JIGE COc1cccc(/C=N/NC(=O)COc2ccc3c(C)cc(=O)oc3c2)c1OCc1ccccc1F 1873793097 WPFFKHMVIWMGPN-IPPBACCNSA-N 490.487 4.357 50 10 JIGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)c1ccccc1I 1916375022 PVIOPQDVQAIDNQ-OAHLLOKOSA-N 488.163 4.344 50 10 JIGE O=S1(=O)C[C@H]2[C@@H](C1)[C@@H]2[C@@H](Cl)c1c(Br)sc(Br)c1Cl 2054228818 ZWAZTVHTYHMCTH-UELCQGJWSA-N 455.020 4.497 50 10 JIGE O=C(CBr)c1ccc(OC(F)F)c(I)c1OC(F)(F)F 2060375853 KUQQNERPTMNEJY-UHFFFAOYSA-N 474.945 4.369 50 10 JIGE Brc1ccc(Br)c(CN2CCO[C@@H]3C[C@H](Br)C[C@H]32)c1 2128864962 NGNCQNNDXFMECJ-MRVWCRGKSA-N 454.000 4.338 50 10 JIGE C[C@H]1CC[C@H](N(C)S(=O)(=O)c2cc(CBr)sc2Br)CS1 2179785508 NKDNLABUXLAWAN-IUCAKERBSA-N 463.282 4.310 50 10 JIGE Cc1c(CBr)cc(Cl)cc1S(=O)(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 2179862392 VWMHZNLRTHUHDN-LJQANCHMSA-N 471.848 4.438 50 10 JIGE O=C(NCC[C@@H]1CN(CCCCCI)c2ccccc21)C(F)(F)F 2220217865 YIUKOBAKRYJZGY-CYBMUJFWSA-N 454.274 4.264 50 10 JIGE O=S(=O)(C1CCC(CBr)CC1)N1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 2234724536 AWALCKNCMCXQTC-DLIHROTGSA-N 455.462 4.009 50 10 JIGE C[C@@H]1Cc2cc([C@H](Br)c3nn(C)nc3Br)cc(Br)c2O1 2235267044 YQXCPLAGSQWXOO-LDWIPMOCSA-N 465.971 4.148 50 10 JIGE CC(C)(C)OC(=O)N1[C@H]2CSC[C@H]1CC1(CC[C@](C)(CI)O1)C2 2244166577 HYMQILLZLOGTDV-XJKCOSOUSA-N 453.386 4.244 50 10 JIGE CNC(=O)C(C#N)=C1S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(F)cc1 2296834960 GUFHXJKKMLOAOK-KRWDZBQOSA-N 450.322 4.305 50 10 JIGE CC(C=Cc1ccccc1)=NNC(=O)CCC(=O)Nc1ccc(I)cc1 2297271792 HADHJAGMZUUIAI-UHFFFAOYSA-N 461.303 4.215 50 10 JIGE CC(C)(CI)CN=[S@](C)(=O)C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C 2306810908 YGENDZSRNHYBLI-RKNYENMMSA-N 474.449 4.485 50 10 JIGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)C=Cc2ccc(OCCC(C)C)c(OC)c2)cc1 2314785573 ARZJRSIVXDTEHN-UHFFFAOYSA-N 492.572 4.408 50 10 JIGE CCN(C[C@@](C)(CI)OC[C@@H]1COC2(C)CC1C2)C(=O)OC(C)(C)C 2317960308 TWWZFBYAWUIFIX-IRSFRRDYSA-N 467.388 4.269 50 10 JIGE COc1ccc([C@@H](Cl)c2c(Br)nc(C)n2C)cc1I 2337325733 LETCUWJOLSKLLX-LLVKDONJSA-N 455.521 4.432 50 10 JIGE O=S(=O)(c1ccc(CCBr)s1)N1CC[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2355843555 ZFIAJWUOHYUVDC-ZWKOTPCHSA-N 469.470 4.113 50 10 JIGE Clc1ccc(CN2C[C@@H]3CC[C@H](CBr)O[C@@H]3C2)c(I)c1 2366720403 FDQGCMMQGQQXEB-NJZAAPMLSA-N 470.576 4.319 50 10 JIGE Cc1ccc(NC(=O)CCC(=O)NNC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)c(C)c1 14038606 XPSOOZBHIHGTHG-FQEVSTJZSA-N 459.546 4.304 50 10 JIGE COCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c(C)c2)C1=O 38606300 XZTZHFPQWJTAAO-LFVJCYFKSA-N 496.567 4.485 50 10 JIGE Nn1c(SCCCC(=O)N/N=C/c2ccccc2Cl)nnc1-c1ccccc1Br 58989368 ZLQKYBZBFOFQKU-FSJBWODESA-N 493.818 4.097 50 10 JIGE CCN(CC)c1ccc([C@H]2N(C(=O)CCl)CCCN2S(=O)(=O)c2ccc(C)cc2)cc1 59074315 ZFFLVUAGBXKFHG-QHCPKHFHSA-N 464.031 4.002 50 10 JIGE Cc1cc(C)c(OCC(=O)N/N=C/c2cc(Br)cc(Br)c2O)c(C)c1 59519628 PEKDOHNTIHRGGB-ODCIPOBUSA-N 470.161 4.372 50 10 JIGE CC[C@@H](Br)C(=O)Nc1c(Br)cc(Br)cc1C(=O)OC 61490066 NRKWYPZBNAAXQI-MRVPVSSYSA-N 457.944 4.110 50 10 JIGE N#C/C(=C/N1CCc2ccccc2C1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216499364 BLOJDYQCTRONKY-NFFVHWSESA-N 462.597 4.386 50 10 JIGE COc1ccc([N+](=O)[O-])cc1N/C=C(/C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216506530 JSAXLVWTACBXNN-ATJXCDBQSA-N 497.555 4.357 50 10 JIGE CC(=NNC(=O)c1ccc(Br)o1)c1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1 254607418 IXWDUTZMSDGBNG-UHFFFAOYSA-N 470.279 4.177 50 10 JIGE ClCc1cc(I)c(I)cc1Br 575685362 FRQCOCVNNAPYEE-UHFFFAOYSA-N 457.274 4.397 50 10 JIGE O=C(NC1(CCBr)CCSCC1)c1ccc(I)cc1 719720534 QXPLRVIZLDTBAJ-UHFFFAOYSA-N 454.171 4.072 50 10 JIGE N#CCCn1cc(/C=C(/C#N)C(=O)N2CC[C@H](N3CCCCC3)C2)c(-c2ccc(Cl)cc2)n1 730795161 HOYMKNYOWHCFRH-WNPPMXKSSA-N 462.985 4.111 50 10 JIGE COC(=O)c1ccc(-n2c(C)cc(C=NNC(=O)CC[C@H](O)c3ccccc3)c2C)cc1Cl 1084534904 ZXOVHZKXXHGMDA-QHCPKHFHSA-N 467.953 4.498 50 10 JIGE O=C(COc1cccc(C(F)(F)F)c1)NNC(=O)Cc1csc(-c2ccccc2Cl)n1 1087377604 RZXPICRYOUVUCT-UHFFFAOYSA-N 469.872 4.251 50 10 JIGE Cc1cccnc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1cncc(Br)c1)CCC2 1772747419 OMTMTFIHRZKFTO-UHFFFAOYSA-N 482.338 4.172 50 10 JIGE Cc1c(C(=O)NC(C)C)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772749836 QAGKXMYSCAUQBI-UHFFFAOYSA-N 452.338 4.269 50 10 JIGE CCN(CC)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccn2)cc1 1865702049 LJSAOSJRIFLNMA-SFHVURJKSA-N 454.456 4.350 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2F)[C@H]1c1cccc([N+](=O)[O-])c1 1865706388 VNRSHCXZWMBKKY-INIZCTEOSA-N 459.359 4.216 50 10 JIGE C=CCN(CC=C)S(=O)(=O)c1ccc2nc(NC(=O)/C(C#N)=C/c3ccc(F)cc3)sc2c1 1866128054 UUEXIBSAUTZLRG-GHRIWEEISA-N 482.562 4.344 50 10 JIGE CN(C)C[C@@H](Br)CCc1ccc(I)c(Br)c1 1904329122 ZQBCULJGNZZLII-JTQLQIEISA-N 460.979 4.311 50 10 JIGE COC(=O)[C@H](Cl)Cc1cc(Br)c(I)c(Br)c1 1938596731 RYVGNEJOIBPPSC-MRVPVSSYSA-N 482.337 4.139 50 10 JIGE CCOc1cc(C=C(C#N)C(N)=O)cc(I)c1OCc1ccccc1Cl 2053622898 UFBCGMFKOJCSQB-UHFFFAOYSA-N 482.705 4.315 50 10 JIGE CCOc1cc(I)cc(C(=O)CBr)c1OC(F)(F)F 2055048461 NZWXAMUMAJSXGO-UHFFFAOYSA-N 452.992 4.166 50 10 JIGE O=C(CCl)c1ccc(I)c(C(F)(F)F)c1I 2060047480 HJCYUCBNUBIRSR-UHFFFAOYSA-N 474.385 4.336 50 10 JIGE FC(F)Oc1ccc(CBr)c(I)c1I 2060284324 CEOLWCUGGUHETF-UHFFFAOYSA-N 488.835 4.392 50 10 JIGE FC1(F)CCN(c2ncc(I)cc2Br)C[C@@H]1CCl 2069527331 BIJAQVANPYKVIC-ZETCQYMHSA-N 451.480 4.149 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@@H]2CC[C@]2(CBr)C1 2142283478 QJTQPTQVKWEDNR-XPTSAGLGSA-N 498.984 4.301 50 10 JIGE CCN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1cc(CBr)oc1C 2179817232 OOORKMQRRWUFHW-UHFFFAOYSA-N 455.418 4.158 50 10 JIGE C[C@]1(F)CN(S(=O)(=O)c2cc(CCl)sc2Br)C[C@]1(C)Br 2205654891 KRBLXRHFYKVKGN-QWRGUYRKSA-N 469.623 4.136 50 10 JIGE COCCN(C[C@@H](C)Br)C(=O)c1cc(Br)c(Br)s1 2259753456 FJCYMARKQGFPNH-SSDOTTSWSA-N 464.017 4.145 50 10 JIGE O=C(NC[C@H]1CC[C@H](CBr)CO1)c1c(Br)cccc1Br 2279401646 MUXWFJXPCDCXNY-NXEZZACHSA-N 469.999 4.132 50 10 JIGE Cc1sc(Br)cc1S(=O)(=O)N[C@@H](CCBr)COCc1ccccc1 2303589500 BZBZSPLKEMYRHG-AWEZNQCLSA-N 497.274 4.468 50 10 JIGE Cc1ccc(C=CC(=O)NC(=S)NNC(=O)COc2ccc3ccccc3c2Br)cc1 2313619247 WKNINLDNMGWFLQ-UHFFFAOYSA-N 498.402 4.025 50 10 JIGE CCC(CC)N(CCBr)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338849429 IIEQJGRQTSQZNC-UHFFFAOYSA-N 487.460 4.058 50 10 JIGE C#CC[C@@](C)(CBr)CNC(=O)c1ccc(Cl)cc1I 2340058658 PRACZLDODONXPO-AWEZNQCLSA-N 454.533 4.099 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1CCC[C@](F)(CBr)C1 2340062565 BAGRRGYBZXPSOX-ZDUSSCGKSA-N 460.512 4.284 50 10 JIGE Clc1ccc(I)cc1CN1[C@H](CBr)C[C@@H]2OCC[C@@H]21 2352410291 GKETUSJWEXYJNK-UBHSHLNASA-N 456.549 4.071 50 10 JIGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)cc1OCc1ccc(Cl)cc1 16284084 FQMOWQOGIANSGE-OAQYLSRUSA-N 450.878 4.407 50 10 JIGE CCOc1cc(/C=N/NC(=O)Cc2ccccc2)ccc1OC(=O)c1ccc(OC)c(OC)c1 33959196 RQFFQBNDGCPOJY-WPWMEQJKSA-N 462.502 4.015 50 10 JIGE COCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(C)c(F)c2)C1=O 38606110 NIEXAZZUNPDYQO-LPYMAVHISA-N 470.504 4.226 50 10 JIGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2ccc(-c3cccc(C(=O)O)c3C)o2)cc1 58894623 MMTLJTDBCNFWDL-QVGKIPNLSA-N 450.491 4.316 50 10 JIGE Cc1nc2ccccn2c1C(=O)N/N=C/c1cc(Br)ccc1OC(=O)/C=C/c1ccco1 59168967 FKDZSTHYXWESNV-HWBYCEQYSA-N 493.317 4.381 50 10 JIGE CC(=NNC(=O)c1c(Cl)c(C)nn1C)c1cccc(NC(=O)COc2ccc(Cl)cc2)c1 252596558 CKLNWOMKWVWFPZ-UHFFFAOYSA-N 474.348 4.207 50 10 JIGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNC(=O)c3ccc(C)cc3)cc2)cc1 254571225 UZPJEXISKWSQJX-UHFFFAOYSA-N 487.556 4.273 50 10 JIGE COc1cc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)cc(Br)c1OC 256028627 YXWDZRNBPCOXQU-UHFFFAOYSA-N 493.408 4.227 50 10 JIGE Cc1ccc(O)c([C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)c1 382695351 QLKPCOQZOGCAQG-FUHWJXTLSA-N 451.304 4.488 50 10 JIGE O=[N+]([O-])c1sc(CBr)cc1N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@@H]21 404199935 QSNWHZWKVQSWPY-ZWKOTPCHSA-N 452.374 4.031 50 10 JIGE Cc1ccccc1N[C@@H](C)C(=O)NN=Cc1cc(Br)c(O)c(Br)c1 725274361 ZOOOYYBOGMBZDX-NSHDSACASA-N 455.150 4.176 50 10 JIGE Nn1c(SCCCC(=O)NN=Cc2ccccc2Cl)nnc1-c1ccc(Br)cc1 1083929419 HLCVTSKWJAFTIP-UHFFFAOYSA-N 493.818 4.097 50 10 JIGE Cc1cc(C=NNC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)c(C)n1-c1cccc(Cl)c1 1084235399 VWFLBVRUBNSYSQ-UHFFFAOYSA-N 493.416 4.317 50 10 JIGE O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)NN=Cc1ccc(Cl)cc1 1084410889 RMRPESQSHXAVHT-UHFFFAOYSA-N 462.358 4.339 50 10 JIGE C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)NN=Cc1c(O)ccc2ccccc12 1084424945 AJZIFVZFPSCNLU-UHFFFAOYSA-N 486.601 4.486 50 10 JIGE CCOc1cc(/C=C(\C#N)C(=O)N(C)C)cc(I)c1OCc1ccccc1F 1084481376 GNYZPCQPHZTWKJ-CXUHLZMHSA-N 494.304 4.403 50 10 JIGE C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F 1087669519 KRBPZFUDFIYREM-XZJROXQQSA-N 471.273 4.186 50 10 JIGE COc1cc(CNC(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)cc(Cl)c1OC 1348381116 GBCZJGSBHQUXRV-UHFFFAOYSA-N 487.915 4.220 50 10 JIGE CCOc1cc(C=NNC(=O)COc2ccc(Br)c(C)c2)cc(Br)c1O 1772754393 TYZDDFRMVCXPBA-UHFFFAOYSA-N 486.160 4.153 50 10 JIGE Cc1nc(Cc2ccccc2)sc1C(=O)NNC(=O)CCC(=O)c1ccc(Br)cc1 1865845566 VEHYTKQLNPICDL-UHFFFAOYSA-N 486.391 4.229 50 10 JIGE CC(C)CSc1ccccc1C(=O)NNC(=O)[C@H](C)n1cnc2sc3c(c2c1=O)CCCC3 1865851646 FPWIYDZVDGXOPM-HNNXBMFYSA-N 484.647 4.107 50 10 JIGE CC[C@](C)(NC(=O)C[C@@H](c1ccccc1)c1nnc(C)o1)C(=O)Nc1ccc(SC#N)cc1 1867027154 GRVQXOYOSDZNIP-RDPSFJRHSA-N 463.563 4.397 50 10 JIGE COCCN1[C@@H](C)CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3cccnc3)n2)C[C@H]1C 1868565088 HJYQQJYMPFXNKX-KDURUIRLSA-N 475.622 4.401 50 10 JIGE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 1873793637 UMFGFQGFIZVGTF-AUEUWSLNSA-N 478.505 4.441 50 10 JIGE O=C(c1ccc(Br)cc1Br)N1C[C@H]2CC[C@]2(CBr)C1 1903982175 CRFOEJMTBGBHQS-OTYXRUKQSA-N 451.984 4.459 50 10 JIGE C[C@H](Cl)C(=O)Nc1cc(Br)c(I)c(Br)c1 1931648858 DIPSPEWFOVLPNZ-BYPYZUCNSA-N 467.326 4.382 50 10 JIGE CN(CCN(Cc1ccccc1)S(=O)(=O)N1CCC[C@H](CCCl)C1)Cc1ccccc1 2001897267 LXHRDUNTWVHOAE-XMMPIXPASA-N 464.075 4.206 50 10 JIGE Cc1cc(-n2nc(CBr)c(I)c2C(F)(F)F)cc(C)n1 2078929174 HSMBKYHQFBDXCQ-UHFFFAOYSA-N 460.035 4.402 50 10 JIGE CC[C@@H](C)[C@@H](Br)CNS(=O)(=O)c1cc(Br)ccc1Br 2090426296 VUXVMQJDGLDLDT-KCJUWKMLSA-N 478.044 4.300 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1CCC12CC(CBr)C2 2104561124 VEOPXCWEHIPZMP-UHFFFAOYSA-N 454.533 4.334 50 10 JIGE Cc1cc(Br)c([C@H](Br)C2[C@H]3CS(=O)(=O)C[C@H]23)cc1Br 2117966564 SDBHFOCYXDWIHF-RVBZMBCESA-N 473.024 4.247 50 10 JIGE O=C(N[C@H](CBr)c1ccsc1)c1cccc(F)c1I 2119060556 YJGNRHSPNQJWEF-LLVKDONJSA-N 454.102 4.358 50 10 JIGE O=C(c1sccc1I)N1C[C@]2(F)CCC[C@@]2(CBr)C1 2120127673 FXFYTRXWBHWXQE-CHWSQXEVSA-N 458.134 4.082 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CCS[C@@H](CCCl)C1 2142277958 WYWNGMGKGCBIHN-JTQLQIEISA-N 474.589 4.240 50 10 JIGE O=C(N[C@@H](CCl)c1cscn1)c1ccc(Br)cc1I 2142290703 DWPGEZJKHMHIOH-JTQLQIEISA-N 471.545 4.220 50 10 JIGE O=S(=O)(c1csc(CBr)c1)N1CCC[C@@H]1[C@H]1CCN(Cc2ccccc2)C1 2179823030 DKQGZEAWDNLFJJ-FXAWDEMLSA-N 469.470 4.318 50 10 JIGE C[C@H]1[C@@H](C)N(Cc2ccccc2)[C@H](C)CN1S(=O)(=O)c1ccc(CCBr)s1 2179823525 KPNSBXMAPSEPEM-ZACQAIPSSA-N 471.486 4.358 50 10 JIGE O=C(N[C@H]1C[C@H]2CC[C@H]1[C@@H](Br)C2)c1ccc(F)cc1I 2204563113 LYTPCNRHCQSFKD-JDVFRBCBSA-N 452.105 4.112 50 10 JIGE Cc1cc(C(=O)N2CC[C@@H](Br)C(F)(F)CC2)ccc1I 2207095134 BPWHVIDNIYLIQI-GFCCVEGCSA-N 458.084 4.234 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N1CC=C(CBr)CC1 2277922800 BXBGANAMHVMZCS-UHFFFAOYSA-N 451.984 4.308 50 10 JIGE COC(=O)c1ccsc1NC(=O)C(C#N)=Cc1ccc(COc2ccc([N+](=O)[O-])cc2)o1 2295669859 BKBKCMABSUUBES-UHFFFAOYSA-N 453.432 4.161 50 10 JIGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccccc2O)cc1 2297450830 WFERTIJBSMUAMC-UHFFFAOYSA-N 456.546 4.160 50 10 JIGE Cc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccc2c(c1)OCO2 2313546020 WRDFTNGIZWOSTM-UHFFFAOYSA-N 454.530 4.079 50 10 JIGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCC(=O)OC 2313567214 DIBDBTQPFHOTIL-UHFFFAOYSA-N 473.323 4.254 50 10 JIGE CCOc1cc(OCC)c([N+](=O)[O-])cc1C=NNC(=O)Cc1cc(Cl)ccc1SC 2323688228 VNSLHTLSTSBLJE-UHFFFAOYSA-N 451.932 4.460 50 10 JIGE C[C@](NC1CC(Br)C1)(C(=O)O)c1cc(Br)c(Br)s1 2324687822 IIPDFUDHMBSDME-TUXAIXRJSA-N 462.001 4.088 50 10 JIGE COc1cc2nc(C(C#N)=Cc3ccc(OCC(=O)Nc4ccccc4)cc3)nc(O)c2cc1OC 2331042665 VOKYSIKJEPVLDV-UHFFFAOYSA-N 482.496 4.434 50 10 JIGE C[C@H](Br)CN(C(C)(C)C)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338833425 LZCFDMPQPMJEHZ-INIZCTEOSA-N 487.460 4.057 50 10 JIGE Cc1cnc(N(C)Cc2c(Br)c(Br)nn2C)c(CBr)c1 2364337641 YJXFWADKAYAXSX-UHFFFAOYSA-N 467.003 4.180 50 10 JIGE CCCOC(=O)c1ccc(OCC(=O)NNC(=O)[C@H](CC)Oc2ccccc2[C@H](C)CC)cc1 10683817 AOLVJCRBJCVJSE-GCJKJVERSA-N 470.566 4.151 50 10 JIGE COc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)cc1Br 14038676 SKXNRCAIWYFIKS-OAHLLOKOSA-N 469.335 4.353 50 10 JIGE CC(C)CCOc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1Br 14645671 GCJSOBNZPDKPMZ-UHFFFAOYSA-N 488.382 4.297 50 10 JIGE COc1ccccc1/C(C#N)=C\c1ccc(OC(=O)CCN2C(=O)c3ccccc3C2=O)cc1 31900688 HNFGOXPJRBUTSW-MNDPQUGUSA-N 452.466 4.351 50 10 JIGE CCn1c(NNC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)nc2ccccc2c1=O 71838196 HLVTYOQORDIXSW-UHFFFAOYSA-N 476.846 4.031 50 10 JIGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)S/C2=C(/C#N)C(=O)NC)cc1 101240674 BGAKDQBQXJBTCK-SBOLGIJOSA-N 486.391 4.020 50 10 JIGE COc1ccccc1CN1C(=O)/C(=N/NC(=O)COc2ccc(C(C)(C)C)cc2)c2ccccc21 102769563 YUFIUMVBYRJUSU-URGPHPNLSA-N 471.557 4.439 50 10 JIGE CCCOC(=O)c1cc(-c2ccc(/C=C3\C(=O)N(C[C@@H](C)O)C(=O)C(C#N)=C3C)o2)ccc1Cl 103693498 RVICBVPJNTUVGZ-JVVDOCDTSA-N 482.920 4.140 50 10 JIGE O=C(NC[C@@H]1CC[C@H](Br)C1)c1cc(Br)ccc1I 227673023 ZMILHTWONZOWDP-BDAKNGLRSA-N 486.973 4.347 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)NC[C@@H]2CC[C@@H](Br)C2)cc1Br 227790371 ONNYGGCAADIEET-NXEZZACHSA-N 490.055 4.362 50 10 JIGE FC(F)c1cc(I)c(I)nc1CBr 238683600 QTJNUYUPDQPPRL-UHFFFAOYSA-N 473.824 4.123 50 10 JIGE COc1ccc(S(=O)(=O)N(CC(=O)NN=C(C)c2ccccc2)c2cc(C)cc(C)c2)cc1OC 252620284 MBBZKDBIJRLDKM-UHFFFAOYSA-N 495.601 4.056 50 10 JIGE O=C(NC1(CCBr)CCSCC1)c1cccc(F)c1I 721682957 DBGBCKPWLMIKQO-UHFFFAOYSA-N 472.161 4.211 50 10 JIGE Cc1nn2cc(CCCOC(=O)/C(C#N)=C/c3cn(CCC#N)nc3-c3ccccc3)cnc2c1C 729198047 CSTOENARMUDOFF-OEAKJJBVSA-N 479.544 4.206 50 10 JIGE Cc1oc(-c2ccc(C(C)C)cc2)nc1CC(=O)N[C@H](CO)C(=O)Nc1ccc(SC#N)cc1 1867182842 XUGMDLJMWKKQRY-JOCHJYFZSA-N 478.574 4.005 50 10 JIGE CC(C)(C)OC(=O)N[C@H](CBr)[C@H]1CN(C(=O)OC(C)(C)C)C[C@]2(CCCO2)C1 1885097762 UBWRXBKCPFPQMY-SXGZJXTBSA-N 463.413 4.081 50 10 JIGE O=S(=O)(N[C@H]1C[C@H](CCBr)C1)c1cc(Br)ccc1Br 1906482568 YDBURIDJNZWHRE-CZMCAQCFSA-N 476.028 4.054 50 10 JIGE C[C@H]1C[C@H](Br)CCN1c1ncc(I)cc1Br 1988534094 FUKMPSJINFNTKE-JGVFFNPUSA-N 459.951 4.201 50 10 JIGE C[C@H](CCCCCI)NC(=O)c1csc(I)c1 2006102035 ISGJZMDAVNUGID-SECBINFHSA-N 477.149 4.466 50 10 JIGE CCN(C[C@@](C)(CI)O[C@@H]1COC2(CCC2)C1)C(=O)OC(C)(C)C 2020646717 PYMLMBZWXZGLJD-WMLDXEAASA-N 453.361 4.165 50 10 JIGE C=CC[C@H](CBr)CNC(=O)c1cc(I)ccc1Br 2082056621 XZPAILCEETZSPA-SECBINFHSA-N 486.973 4.371 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@H]2[C@@H](Br)CC[C@H]2C1 2087938244 WEMGXWGCBLRYJH-AXTRIDKLSA-N 498.984 4.299 50 10 JIGE C[C@H](Br)C[C@H]1CCCCCN1C(=O)c1cc(I)sn1 2120026147 MXKBBNOUJKMRFK-VHSXEESVSA-N 457.175 4.306 50 10 JIGE Cc1csc(CBr)c1S(=O)(=O)N1CCN(Cc2ccccc2)CC1(C)C 2123242403 WCVFQMNQUWQEMT-UHFFFAOYSA-N 457.459 4.237 50 10 JIGE CC[C@H]1CN(C(=O)c2cc(I)ccc2Br)C[C@@H]1CCl 2140769900 XYWVBWDQPMOCPL-UWVGGRQHSA-N 456.549 4.391 50 10 JIGE CC1(C)OCCO[C@H]1CO[C@@H](CI)c1ccccc1Br 2186961170 AWYQOLNJYXCNHA-KBPBESRZSA-N 455.130 4.136 50 10 JIGE O=C(N[C@@H]1COC2(CCC2)[C@H]1Br)c1c(Br)cccc1Br 2206473021 UTFHBDNKBXKGFO-PWSUYJOCSA-N 467.983 4.026 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OCC2CC(OC(F)F)C2)C1 2222555455 SJCYKHPJDLWAGE-FVKWTLKZSA-N 475.314 4.226 50 10 JIGE O=C(c1ccc(Br)cc1I)N1[C@H]2CC[C@@H](Cl)[C@H]1CC2 2229873254 WYWOZXSSVFAHEJ-UFGOTCBOSA-N 454.533 4.428 50 10 JIGE O=C(NC[C@H]1CC[C@H](CBr)CO1)c1cc(Br)sc1Br 2264706173 QMGLAQAVZUEVFL-HTQZYQBOSA-N 476.028 4.193 50 10 JIGE Cc1ccc(C=C2SC(=S)N(CCCC(=O)NNC(=O)c3ccccc3Cl)C2=O)cc1 2295924250 IVHKJZZTWPNCLU-UHFFFAOYSA-N 474.007 4.091 50 10 JIGE O=C(c1csc(I)c1)N1Cc2ccccc2C[C@H]1CBr 2296322677 QERKLUHDJQRFKO-ZDUSSCGKSA-N 462.150 4.315 50 10 JIGE CCOc1ccc(C=CC(=O)NC(=S)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 2313890396 KDFCUBZQRQCPOQ-UHFFFAOYSA-N 496.416 4.286 50 10 JIGE COc1ccccc1NC(=O)C(C#N)=Cc1c(Oc2ccccc2C)nc2ccccn2c1=O 2314531719 DJWZBSXAGYJJOY-UHFFFAOYSA-N 452.470 4.350 50 10 JIGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)CCCOc2ccc(C(C)(C)C)cc2)c(OC)c1 2314738011 FVWMZNPVKVJLNS-UHFFFAOYSA-N 494.588 4.427 50 10 JIGE CCOc1ccc(C=C(C#N)C(=O)Oc2ccc3cc(C(=O)N[C@H](C)CC)c(=O)oc3c2)cc1OC 2314750948 GFQNCPATSGXHDF-MRXNPFEDSA-N 490.512 4.241 50 10 JIGE COc1ccccc1C(C#N)=Cc1cccc(OC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)c1 2320510771 BZOJGGZNBQBCAP-KRWDZBQOSA-N 452.466 4.349 50 10 JIGE COc1ccccc1OCC(=O)NN=Cc1ccc(OCc2cccc(Cl)c2)c(OC)c1 2321706283 OQNIXGQNQIAWHP-UHFFFAOYSA-N 454.910 4.465 50 10 JIGE CCCOc1c(OC)cc(C=NNC(=O)CCCCCNC(=O)OC(C)(C)C)cc1OC 2328835199 DIGPQZDDEXCGGX-UHFFFAOYSA-N 451.564 4.028 50 10 JIGE Cn1nc(Br)c(Br)c1[C@@H](Br)c1ccc2c(c1)COC2 2338722533 NQQQJNLFZKPGHT-JTQLQIEISA-N 450.956 4.460 50 10 JIGE CCOc1ccc(-n2c(SCC(=O)/C(C#N)=C(\C)N)nnc2-c2cccc(Cl)c2)cc1 25784874 BWYNRXFMEUWUTE-XMHGGMMESA-N 453.955 4.404 50 10 JIGE Cc1cccn2c(=O)c(/C=C(/C#N)S(=O)(=O)c3ccc(Cl)cc3)c(N3CCCCCC3)nc12 33513593 SGMJGBKHUCJRIP-HKWRFOASSA-N 482.993 4.375 50 10 JIGE Cc1ccc(Nc2ncnc(NNC(=O)COc3ccc(Cl)cc3Cl)c2[N+](=O)[O-])cc1 40648978 RDPWDKLYNMZHTR-UHFFFAOYSA-N 463.281 4.266 50 10 JIGE COc1ccc(Oc2ncnc(NNC(=O)c3ccc(Cl)cc3Cl)c2[N+](=O)[O-])cc1 40658842 PWJSOKWXXMDSCG-UHFFFAOYSA-N 450.238 4.249 50 10 JIGE COCCn1c(CBr)nnc1-c1cc(Br)ccc1Br 161340908 MVNLJNORMJBDOJ-UHFFFAOYSA-N 453.960 4.011 50 10 JIGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3cccc(C)c3)cc2OC)cc1 254495204 KNYUKHJSLGMFPN-UHFFFAOYSA-N 489.528 4.100 50 10 JIGE CCOc1ccc(-n2c(SCC(=O)NN=Cc3ccc(O)cc3)nnc2-c2ccccc2)cc1 254703803 PQHOCLJCHGVATA-UHFFFAOYSA-N 473.558 4.281 50 10 JIGE COc1ccc(C(=O)NN=Cc2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)cc1 254834338 ZTPWCFXPAZOJRV-UHFFFAOYSA-N 466.406 4.076 50 10 JIGE BrCCCc1c(I)cccc1I 306914363 RLQQLBSENYCSRN-UHFFFAOYSA-N 450.883 4.223 50 10 JIGE FC(F)(F)Oc1nc(I)cc(CBr)c1Br 396181008 NQCPXGHXXQTGIR-UHFFFAOYSA-N 460.813 4.242 50 10 JIGE Cn1cc(Br)c([C@@H](Br)c2cc3c(cc2Br)OCC3)n1 693051722 KTMGJXKFNWYKSJ-LBPRGKRZSA-N 450.956 4.364 50 10 JIGE Cc1sc2ncn(CCC(=O)NNc3ccc(Br)cc3Cl)c(=O)c2c1C 729276683 KOTMBOYHTXXATA-UHFFFAOYSA-N 455.765 4.024 50 10 JIGE CCOc1cc(Br)c(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OC 1084443194 WPCPRWKGJBUFBG-QGOAFFKASA-N 470.367 4.112 50 10 JIGE COc1ccccc1NC(=O)[C@@H](C)Oc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1F 1858685856 WNRFTRIUGREMBH-CYBMUJFWSA-N 470.413 4.154 50 10 JIGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@H](c2ccc(C(=O)O)cc2)C(C#N)=C(N)O3)cc1 1865708570 BMIFBBAVCQUARH-JOCHJYFZSA-N 464.481 4.464 50 10 JIGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(C(=O)OC)cc1)C(C#N)=C(N)O2 1865709179 QCZZNIRINAXJGF-LJQANCHMSA-N 479.334 4.202 50 10 JIGE COc1ccccc1OCC(=O)N/N=C/c1ccc(OC)c(OCc2ccccc2Cl)c1 1873497162 LYMNXXMLBHLNRI-VULFUBBASA-N 454.910 4.465 50 10 JIGE O=C(NC[C@]1(CBr)C[C@H]1C(F)(F)F)c1csc(I)c1 1877497807 WYYOZOIRFVPXEP-GMSGAONNSA-N 468.076 4.046 50 10 JIGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@H]1C[C@@H]1Br 1888846636 ZETDLTIXSPELFK-OREJSRFESA-N 457.368 4.203 50 10 JIGE Cc1nc(I)c(I)n1-c1c(F)cccc1CCl 1941553635 RIVWFFYBMKWZAR-UHFFFAOYSA-N 476.458 4.268 50 10 JIGE CN(CC1CC(Br)C1)[C@@H](CN)c1cc(Br)c(Br)s1 2076249813 GPKYAKZQMVQSPD-KTOWXAHTSA-N 461.061 4.378 50 10 JIGE O=C(NC[C@H](CCl)C1CCC1)c1cc(Br)ccc1I 2089969833 CNXYFDWLUWMLAK-JTQLQIEISA-N 456.549 4.439 50 10 JIGE C[C@@]12CN(C(=O)c3cc(Cl)ccc3I)C[C@@]1(CBr)C2 2109180831 CBLONWMMJQNGQB-KGLIPLIRSA-N 454.533 4.192 50 10 JIGE C[C@H](CCCCCI)NC(=O)Cc1ccccc1I 2117887911 RLBDGQLECUUBTQ-GFCCVEGCSA-N 485.147 4.334 50 10 JIGE CC[C@H](C)[C@H](CI)NS(=O)(=O)c1c(C)sc(C)c1Br 2136497445 TWQXDZKLOPABJC-XVKPBYJWSA-N 480.231 4.255 50 10 JIGE COc1cc(CBr)cc(Br)c1OCc1c(Br)cnn1C 2143620586 DJRJCOMJTBHURT-UHFFFAOYSA-N 468.971 4.428 50 10 JIGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CC[C@@H]2C[C@H](Br)CC[C@@H]21 2143978255 XROIWHFGNGCSBV-MRTMQBJTSA-N 463.644 4.491 50 10 JIGE O=S1(=O)CC[C@H](C(CBr)(CBr)Cc2snc(Cl)c2Cl)C1 2167232539 XGFISZWMDKPNDF-ZETCQYMHSA-N 486.078 4.203 50 10 JIGE O=C(c1cc(I)ccc1F)N1CC[C@H]2CC[C@H](Br)[C@H]1C2 2169663777 RHVKJRCRPZHMNH-LJWDBELGSA-N 452.105 4.208 50 10 JIGE O=S(=O)(C1CC(OCc2ccccc2)C1)N1Cc2ccccc2[C@@H](CBr)C1 2176229239 MNUHVCJDNFISLE-HDYDNRTBSA-N 450.398 4.058 50 10 JIGE O=C(c1cccc(I)c1)N1C[C@@]2(CBr)CCC[C@]2(F)C1 2176629572 DSFZLXFSHLNNGM-GJZGRUSLSA-N 452.105 4.021 50 10 JIGE Cc1cc(S(=O)(=O)N(C)[C@H]2CC[C@@H]2OCc2ccccc2)cc(CBr)c1F 2179859140 YYRQFOZIWATGEK-OALUTQOASA-N 456.377 4.397 50 10 JIGE IC[C@H](OCCOCCOCCOCc1ccccc1)c1ccccc1 2227780047 PJKPHALJJXKEGE-NRFANRHFSA-N 470.347 4.429 50 10 JIGE Cn1cc(Br)c([C@@H](Br)c2ccc3c(c2Br)CCO3)n1 2229747865 RZKAAZULWPDEOG-LBPRGKRZSA-N 450.956 4.364 50 10 JIGE O=C(N[C@H](CCBr)COCc1ccccc1)c1ncc(Br)cc1F 2303541053 VPPUEKPXQOSXGB-CQSZACIVSA-N 460.141 4.083 50 10 JIGE COC(=O)c1ccc(C)c(-c2ccc(C=C(C#N)C(=O)N3CCN(c4ccccc4)CC3)o2)c1 2313568179 SRDJCWKCCMZBJJ-UHFFFAOYSA-N 455.514 4.297 50 10 JIGE C=CCNC(=O)C(C#N)=C1S[C@H](Cc2cccc(C(F)(F)F)c2)C(=O)N1c1ccc(OC)cc1 2314593207 JKULEWKLIPHGLF-HXUWFJFHSA-N 487.503 4.442 50 10 JIGE CC(=O)OCCN1C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3)cc2)C(C)=C(C#N)C1=O 2314620580 RJLRAGRECIJZHQ-UHFFFAOYSA-N 464.905 4.074 50 10 JIGE O=S(=O)(N[C@@H](CCCl)COCc1ccccc1)c1ccc(F)c(Br)c1 2320659514 CPZDHFXUJWUCAW-AWEZNQCLSA-N 450.757 4.081 50 10 JIGE CCOc1c(OC)cc(C=NNC(=O)c2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)cc1[N+](=O)[O-] 2323166767 VQAPSBKPHMPGER-CQSZACIVSA-N 450.495 4.372 50 10 JIGE COc1cccc(C=NNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)c1OCc1ccccc1F 2328829454 DPGPMMAKIWSYLE-FQEVSTJZSA-N 471.529 4.263 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CC[C@@H](Cl)[C@H]2CC[C@H]21 2331943942 OCLBFTILOTZEPF-OASPWFOLSA-N 454.533 4.286 50 10 JIGE COC[C@]1(CBr)C=CCN1Cc1cc(Cl)ccc1I 2351703027 UDSLEBPABPWZOQ-CQSZACIVSA-N 456.549 4.097 50 10 JIGE COC1CC2(CC(COC3(CI)CCN(C(=O)OC(C)(C)C)CC3)C2)C1 2353036392 RXPDTQDUBHTJQB-UHFFFAOYSA-N 479.399 4.413 50 10 JIGE COc1cc(Cl)c(CBr)c(N2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)c1 2365805855 PLFOBZOSDNPYMX-NHCUHLMSSA-N 451.792 4.333 50 10 JIGE C[C@@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc([N+](=O)[O-])cc1 38654802 ODOJPFSVNXBSBF-QKFKETGDSA-N 475.432 4.325 50 10 JIGE Cc1ccc(CNC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)CCC3)cc1 40814537 RDKSCTWEVPHUGU-SGWCAAJKSA-N 474.517 4.134 50 10 JIGE COc1cc(/C=N/NC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)cc([N+](=O)[O-])c1O 40844685 NOHJXCBJEWAIHV-CVKSISIWSA-N 463.490 4.164 50 10 JIGE O=S(=O)(NC[C@@H]1CCC[C@@H]1CBr)c1cc(Cl)c(Br)s1 136707881 RTVMRHPMXZZMQC-SFYZADRCSA-N 451.633 4.254 50 10 JIGE COc1ccc(-c2nnc(SCC(=O)NN=C(C)c3ccco3)n2-c2ccc(OC)cc2)cc1 254385023 ONZPVDWSNQGEPO-UHFFFAOYSA-N 477.546 4.177 50 10 JIGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)c2cccnc2)cc1OC 254550557 RMTDTIYWODNBPO-UHFFFAOYSA-N 455.470 4.235 50 10 JIGE CC(C)(C)OC(=O)N1CCC(CI)(OCCOCC2CCC2)CC1 400645107 CRIOUOBBDVDPDR-UHFFFAOYSA-N 453.361 4.024 50 10 JIGE O=C(N[C@@H](CCl)CC(F)F)c1cc(Br)ccc1I 717760904 SBAHYZWOTPJILC-SSDOTTSWSA-N 452.464 4.046 50 10 JIGE N#CCCn1cc(/C=C(/C#N)C(=O)N2CCO[C@H](c3cccc(F)c3)C2)c(-c2ccccc2)n1 727394241 CVHGVWDBPBEGHZ-WNOSOOIWSA-N 455.493 4.110 50 10 JIGE Cc1ccc(C(=O)NNC(=S)Nc2ccc(OC(C)C)cc2)cc1I 728084445 DLRRMPCYYBTRQX-UHFFFAOYSA-N 469.348 4.018 50 10 JIGE COc1ccc(Br)cc1S(=O)(=O)N(CC(=O)NN=C(C)C(C)(C)C)c1ccccc1 1084028687 KRGCZWMGCSXHKC-UHFFFAOYSA-N 496.427 4.191 50 10 JIGE C#CCCN1CCN(C(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)CC1 1598457303 IKJZVCGVKXPAFD-HKWRFOASSA-N 455.389 4.475 50 10 JIGE C=CCN1C(=O)/C(=C/c2ccc(N(CC)CC)cc2)SC1=NNC(=O)c1ccccc1O 1772718937 WYWAWMKLTOKGFS-YKXMXDARSA-N 450.564 4.042 50 10 JIGE COc1ccc(CCC(=O)N2CCC(C(=O)Nc3ccc(SC#N)cc3)CC2)cc1OC 1860594435 XCIVYVUIOWGEBF-UHFFFAOYSA-N 453.564 4.087 50 10 JIGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1cc(OC)c(OC)cc1OC)C(C#N)=C(N)O2 1865711101 PSPCTAPJFIAFGG-XMMPIXPASA-N 474.561 4.436 50 10 JIGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(O)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865714486 LRUBHUTVLYUCAO-JOCHJYFZSA-N 459.506 4.333 50 10 JIGE CCC[C@@H](NC(=O)CCS(=O)(=O)c1cccc(Cl)c1)C(=O)Nc1ccc(SC#N)cc1 1866886155 IWBAXPAGOTWCBS-LJQANCHMSA-N 480.011 4.001 50 10 JIGE N#CSc1ccc(NC(=O)[C@H](CO)NC(=O)C[C@H](c2ccccc2)c2ccc(F)c(F)c2)cc1 1867122506 HWFWSGKKLVRIBF-OFNKIYASSA-N 481.524 4.176 50 10 JIGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@H]1C[C@H]1Br 1883562419 BIGQXEYBSUFZDK-UJUVCNOISA-N 471.395 4.449 50 10 JIGE CC1(C)[C@@H](Br)CCCN1S(=O)(=O)c1cc(Cl)c(Br)s1 1887813853 JFWNATXOFLTZIC-QMMMGPOBSA-N 451.633 4.491 50 10 JIGE C[C@H](Br)C1(NC(=O)c2cc(Br)ccc2I)CC1 1913517648 IELKPOMDCANGKM-ZETCQYMHSA-N 472.946 4.100 50 10 JIGE Cc1nc(I)c(I)n1C[C@@H](CBr)C(C)C 1928097001 CXNSQPSPZMJITH-MRVPVSSYSA-N 496.956 4.068 50 10 JIGE C[C@H]1CN(c2ncc(I)cc2Br)CC[C@H]1Br 1988539116 CAHTWBIZEOKDCY-IONNQARKSA-N 459.951 4.058 50 10 JIGE C[P@]1(=O)C[C@@H](Br)[C@H](NC(=O)c2scc(Br)c2Br)C1 2057716904 DQDYWKACIUVBRR-KLWJRCHCSA-N 479.956 4.142 50 10 JIGE Clc1c(CBr)ccc(I)c1I 2060265482 NNWUBGIUFKSIJF-UHFFFAOYSA-N 457.274 4.444 50 10 JIGE CN1CCC[C@H]([C@@H](Br)c2ccc(Br)cc2Br)S1(=O)=O 2089533094 WOOKVQXPQITVMV-NEPJUHHUSA-N 476.028 4.072 50 10 JIGE O=S(=O)(CCC(CCl)CCl)NCc1scc(Br)c1Br 2104648377 ZYAHOMHXCZGNPO-UHFFFAOYSA-N 474.067 4.176 50 10 JIGE O=C1CCc2cc([C@@H](Br)c3cc(I)sn3)c(F)cc2N1 2176540536 VPSKBXWFGGIXPE-CYBMUJFWSA-N 467.101 4.256 50 10 JIGE O=S(=O)(c1ccc(CCl)cc1Br)N1C[C@@H]2[C@H](CCN2Cc2ccccc2)C1 2188889059 XFCPRXMHBPJSMT-IEBWSBKVSA-N 469.832 4.083 50 10 JIGE O=C(c1cccc(Br)c1Br)N1CC[C@@H](OCCCBr)C1 2207037223 ICTPTDQGODCBRY-SNVBAGLBSA-N 469.999 4.228 50 10 JIGE CCN(C[C@](C)(CI)O[C@H](C)COC(F)F)C(=O)OC(C)(C)C 2242771866 CLOVUJWAQURNRV-ABAIWWIYSA-N 451.292 4.081 50 10 JIGE CC[C@@H]1CN(C(=O)c2ccc(Cl)c(I)c2)C[C@H]1CBr 2268344823 MAXQBYASJVVHSL-MWLCHTKSSA-N 456.549 4.438 50 10 JIGE COCCN(C[C@@H](C)Br)C(=O)c1cc(Br)cc(Br)c1 2272437881 SKACUQRHVAEFNU-SECBINFHSA-N 457.988 4.084 50 10 JIGE C[C@]1(CBr)C=CCN1C(=O)Cc1cc(Br)cc(Br)c1 2277933224 QFHFDQBDMXEVFN-CQSZACIVSA-N 451.984 4.306 50 10 JIGE CS(=O)(=O)C1CC([C@H](Br)Cc2cc(Br)cc(Br)c2)C1 2277957108 SKJLHOOXXIAHFG-UTVJUBTNSA-N 475.040 4.341 50 10 JIGE O=C(C=Cc1ccc(F)cc1)NC(=S)NNC(=O)CCCOc1ccc(Cl)cc1Cl 2313617071 BCHLLNFRVQLSGR-UHFFFAOYSA-N 470.353 4.027 50 10 JIGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1 2314634167 VTMDZNZBVSTNJB-RUZDIDTESA-N 469.453 4.440 50 10 JIGE COC(C)(C)C1(COC2(CI)CCN(C(=O)OC(C)(C)C)CC2)CC1 2320601508 SKXKMLBPOSYUCL-UHFFFAOYSA-N 467.388 4.413 50 10 JIGE O=C(Cc1ccc(O)c(Br)c1)N[C@H](CCBr)COCc1ccccc1 2320602765 BXKCEIRJKNEMGZ-MRXNPFEDSA-N 471.189 4.184 50 10 JIGE O=C(N[C@H]1C[C@@H](CCl)[C@H]2C[C@@H]12)c1ccc(Br)cc1I 2333351196 SXVYBBRSIGBBBJ-ODDDBGHMSA-N 454.533 4.047 50 10 JIGE CCOc1ccc(NC(=O)[C@@H](c2ccccn2)N(C(=O)CCl)c2ccc(OC)cc2)cc1 4789150 VOJCVQNEOCTIOL-HSZRJFAPSA-N 453.926 4.441 50 10 JIGE O=C(NNC(=S)NC(=O)c1ccccc1OCCc1ccccc1)c1ccccc1Br 10510942 VUIWQVCGKMECEG-UHFFFAOYSA-N 498.402 4.020 50 10 JIGE CC(C)(C)c1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2)cc1Br 12492738 GHCZHJONGKIFJW-UHFFFAOYSA-N 484.188 4.349 50 10 JIGE O=C(CNC(=O)c1ccccc1F)NN=Cc1cc(Br)ccc1OCc1ccccc1 13142700 XAICQMSAAOJVFN-UHFFFAOYSA-N 484.325 4.047 50 10 JIGE aggregator COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)cc4)ccc32)c(OC)c1 38656829 AERAAJQBEZPKSZ-SANMLTNESA-N 472.497 4.215 50 10 JIGE COc1ccc(Nc2ncnc(NNC(=O)c3ccc(Cl)cc3Cl)c2[N+](=O)[O-])c(OC)c1 40619635 MYLAUSBDBCTOMM-UHFFFAOYSA-N 479.280 4.209 50 10 JIGE COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1cc(C)ccc1C 40879756 UEXGTPDAPZJXLX-UDWIEESQSA-N 460.486 4.113 50 10 JIGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\Nc3ccc(Cl)cc3)C2=O)cc1OC 101234774 CWEANRVWTGEMIM-XSFVSMFZSA-N 451.910 4.105 50 10 JIGE COc1ccc([C@H](C2=C(O)OC(C)(C)OC2=O)/C(C#N)=C(/N)SCc2ccccc2)cc1 102413916 KNLPXHZMYVSZQX-UQNFDQQLSA-N 452.532 4.485 50 10 JIGE CCOC(=O)/C(C#N)=C\c1cccc(OC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)c1 206744439 CMXIDEYAWXWZEL-RGEXLXHISA-N 466.449 4.176 50 10 JIGE N=c1nc(CCCl)nc(Nc2c(Br)cc(Br)cc2Br)[nH]1 383870641 VPWHCUHDXCNQRF-UHFFFAOYSA-N 486.393 4.097 50 10 JIGE O=C(NC1(CCBr)CCCCC1)c1ccc(I)c(O)c1 687326730 CQLQKECZUBMRAD-UHFFFAOYSA-N 452.130 4.215 50 10 JIGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(OC)c(OCC)cc2Br)cc1 725420909 CDYDCYUPCQTDOA-LJQANCHMSA-N 479.371 4.219 50 10 JIGE CCc1cccc2c1OCC[C@@H]2NC(=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1 726276622 XHSAQDBKANEVOY-QFIPXVFZSA-N 463.509 4.435 50 10 JIGE CC(C)Oc1ccc(NC(=S)NNC(=O)C2CCN(c3nc4ccccc4s3)CC2)cc1 727494270 FXFHFJMCKINEGG-UHFFFAOYSA-N 469.636 4.318 50 10 JIGE Cc1cc(/C=C(/C#N)C(=O)OCC(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)c(C)n1CCC(C)C 728088650 KQVUKEZFSMQHPJ-DUQUIBLKSA-N 463.534 4.204 50 10 JIGE CCOc1ccc(C=NNC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)cc1 1084234133 IXTPFUXPKXBNCF-UHFFFAOYSA-N 479.602 4.432 50 10 JIGE CC(=O)CCc1ccc(OCc2cccc(C(=O)NNc3cc(O)nc4ncccc34)c2)cc1 1153769556 BHSADGIGWCZUGS-UHFFFAOYSA-N 456.502 4.193 50 10 JIGE CC(=O)Nc1nc(-c2cccs2)c(CC(=O)N[C@@H](C)C(=O)Nc2ccc(SC#N)cc2)s1 1866635857 ZOZSJUAYWLTYHL-LBPRGKRZSA-N 485.616 4.089 50 10 JIGE COc1ccc(Cl)cc1-c1csc(/C(C#N)=C(\O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)n1 1872758497 CWFKUJCXZFFBNY-VKAVYKQESA-N 496.888 4.469 50 10 JIGE CN(C[C@H](Br)COCc1ccccc1)C(=O)c1ccc(I)cc1 1916375211 SCKUUERVKKGRJZ-INIZCTEOSA-N 488.163 4.344 50 10 JIGE CC1(C)C[C@H](Br)CN1c1ncc(I)cc1Br 1988538324 QODXRGSFFMSSEJ-ZETCQYMHSA-N 459.951 4.201 50 10 JIGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)c1ccc(O)c(Br)c1 2003587909 CWTSGWVIIOWKOG-OAHLLOKOSA-N 457.162 4.207 50 10 JIGE BrCc1c(Br)cccc1N1C[C@H]2[C@@H](C1)OCCN2Cc1ccccc1 2036446953 ZXSXSGUSGQSFMQ-VQTJNVASSA-N 466.217 4.434 50 10 JIGE O=S(=O)(C[C@H](Br)c1cc(Br)ccc1Br)N1CCCC1 2089390413 ZUVTWOZMRSZMQO-LBPRGKRZSA-N 476.028 4.073 50 10 JIGE BrCc1cc(Br)cc(Br)c1OC[C@@H]1COCCCO1 2097725681 ARIJPOJUAWSYFS-NSHDSACASA-N 458.972 4.291 50 10 JIGE O=S1(=O)CC[C@H]([C@@H](CBr)Cc2cc(Br)ccc2Br)C1 2118525007 PLKGMGDXDIWBCG-GXSJLCMTSA-N 475.040 4.200 50 10 JIGE C[C@@H](Br)C12CCC(CC1)N2C(=O)c1cccc(F)c1I 2153391480 IJLNDBNBFKCWRV-SBTGLGLWSA-N 452.105 4.351 50 10 JIGE COc1cc(COc2c(Br)cc(CBr)cc2Br)ncn1 2163581378 WOSGCQSUICFSQU-UHFFFAOYSA-N 466.955 4.484 50 10 JIGE Cc1ccc(S(=O)(=O)N2CCC[C@@H](N(C)Cc3ccccc3)C2)cc1CBr 2179785496 NIDNAXUQABDCCW-HXUWFJFHSA-N 451.430 4.175 50 10 JIGE CC(C)(C)[C@H]1[C@@H](Br)CCN1C(=O)c1cc(I)ccc1O 2185100807 SXKVDEQUTOEAMK-WCQYABFASA-N 452.130 4.021 50 10 JIGE C[C@@H](Cl)[C@@H](NS(=O)(=O)c1cc(Br)ccc1Br)C(F)(F)F 2195319136 STLVLYYUCXPUIV-MLUIRONXSA-N 459.509 4.048 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1[C@H]2CC[C@H](Br)[C@H]1CC2 2229866375 UURDCLIWTOLNPR-XHVZSJERSA-N 454.533 4.475 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@H](C2CC2)[C@@H](Br)C1 2295310015 QRNYIXXYWBIOKZ-KGLIPLIRSA-N 466.011 4.386 50 10 JIGE C[C@@H](Br)COCc1cn(Cc2cc(Br)ccc2Br)nn1 2295793595 BZQVKBALFGWTKK-SECBINFHSA-N 467.987 4.151 50 10 JIGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)c2ccccc2CCc2ccccc2)c(OC)c1 2314740974 QDPNVCRPIYVCED-UHFFFAOYSA-N 484.552 4.369 50 10 JIGE Clc1cc(I)c([C@@H](Br)[C@@H]2CCn3ncnc3C2)s1 2316777259 LJDNVXCYAVFHIH-LDWIPMOCSA-N 458.550 4.296 50 10 JIGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCC(CCCBr)CC1 2364201072 BDRPEUNEUFJCSG-UHFFFAOYSA-N 499.471 4.060 50 10 JIGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC1(CCl)CCCCCC1 2364205616 MDSDEXRTUWBFPW-UHFFFAOYSA-N 455.020 4.094 50 10 JIGE COc1ccc(/C=N/NC(=O)COc2c(Br)cc(C)cc2Br)cc1OC 1021458 QJCGVRNEGJONAY-ZVBGSRNCSA-N 486.160 4.066 50 10 JIGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(=S)NNC(=O)Cc1cccc2ccccc12 12570165 YXVDMPZTGVEVPN-CYBMUJFWSA-N 476.385 4.179 50 10 JIGE CCc1ccc(OCC(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c(Br)c1 13977654 LNRQZHUGIOHQBA-NSHDSACASA-N 490.181 4.312 50 10 JIGE Cc1cc2c(cc1Br)NC(=O)/C2=N\NC(=O)[C@@H](C)Oc1ccc2ccccc2c1 14031534 KRMYRIGLMDYJEE-CYBMUJFWSA-N 452.308 4.151 50 10 JIGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc32)c1 38684879 WJPQBBOZNGCEGJ-HSZRJFAPSA-N 457.442 4.431 50 10 JIGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4OC)ccc32)cc1 38685695 RCWNCEHTOBYLBR-AREMUKBSSA-N 472.497 4.296 50 10 JIGE O=C(CCCc1c(-c2ccccn2)[nH]c2ccc(F)cc12)NNC(=O)c1ccc([N+](=O)[O-])cc1 39852948 WYWABESIULUSQP-UHFFFAOYSA-N 461.453 4.061 50 10 JIGE O=C(NNc1ncnc(NCc2ccc3c(c2)OCO3)c1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 40585229 YHPNJOKWNWXLDE-UHFFFAOYSA-N 498.499 4.001 50 10 JIGE CCOC(=O)c1cccc(Nc2ncnc(NNC(=O)c3cccc4ccccc34)c2[N+](=O)[O-])c1 40658737 KEDFVQSIFVRTGK-UHFFFAOYSA-N 472.461 4.215 50 10 JIGE Nc1c(NNC(=O)C(c2ccccc2)c2ccccc2)ncnc1N1CCCc2ccccc21 40780235 JNEQRWABXZPKNX-UHFFFAOYSA-N 450.546 4.418 50 10 JIGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2ccccc2OCc2ccc3c(c2)OCO3)cc1 58895511 YNJULJSDMLYLHG-JPJGIZCJSA-N 476.529 4.357 50 10 JIGE CCOC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)cc1OC 96610726 CZAWBNDHAUHCLF-JUJXPEBWSA-N 479.371 4.001 50 10 JIGE COc1ccc(N2C(=O)[C@H](Cc3ccc(F)cc3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242286 FWFYJKKTYRNJEE-JSIHEXFSSA-N 477.517 4.170 50 10 JIGE Cc1ccc(N2C(c3ccccc3)=CS/C2=C(/C#N)C(=O)N2CCN(C(=O)C3CC3)CC2)cc1 103071488 RANYJDRDVIPRJN-VYIQYICTSA-N 470.598 4.363 50 10 JIGE C=CCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C/c2ccc(OCC)c(OCC)c2)c(OC)c1 103746665 DRKBCESCRAIWLJ-JFCNABASSA-N 476.529 4.321 50 10 JIGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccc(CC)cc3)cc2)cc1 254714867 YPHTYPFMHHCYJW-UHFFFAOYSA-N 473.529 4.346 50 10 JIGE CC(C)(C)[Si](O[C@H]1C=CO[C@@H](COC(=O)c2ccccc2)[C@H]1O)(c1ccccc1)c1ccccc1 616588074 KHVKFQYBXKAWHO-QKDODKLFSA-N 488.656 4.062 50 10 JIGE N#CCCn1cc(/C=C(\C#N)C(=O)N2CCC[C@H](CN3CCCCCC3)C2)c(-c2ccccc2)n1 728530078 CZHROKYMPXGCBC-DMUURETOSA-N 470.621 4.485 50 10 JIGE COC(=O)[C@@H](NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(OC)cc2)c1C)c1ccc(OC)cc1 729656548 GSUOYDZBJWXUBC-WZLQQZPBSA-N 473.529 4.049 50 10 JIGE Cc1cc(/C=C(\C#N)C(=O)OCC(=O)c2ccc3c(c2)CCN3C=O)c(C)n1-c1ccc(F)cc1 918957007 GXPIHWGAYXSYEZ-LPYMAVHISA-N 471.488 4.085 50 10 JIGE Cc1cccc(C)c1NC(=O)CSc1ccc(C=NNC(=O)c2cccc([N+](=O)[O-])c2)o1 1084011862 SLFVJZNVZZFRDV-UHFFFAOYSA-N 452.492 4.299 50 10 JIGE COc1ccc(C(C)=NNC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)cc1 1084164147 JFNOGXGLCKRWNA-UHFFFAOYSA-N 465.575 4.048 50 10 JIGE C/C(=C/c1c(Cl)cccc1Cl)C(=O)NNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1 1354033494 LJMPONUSVQSUGN-SEYXRHQNSA-N 456.370 4.191 50 10 JIGE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)NN(C)C2CC2)ccc1Cl 1638500884 USZUSPDYJMEQCJ-UHFFFAOYSA-N 454.379 4.114 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2Cl)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1865714434 KFRHWYDULZVTGI-HNNXBMFYSA-N 477.786 4.376 50 10 JIGE CCC[C@@H](NC(=O)C[C@H](c1ccccc1)c1nnc(C)o1)C(=O)Nc1ccc(SC#N)cc1 1867023980 ISEOTNGGKBTSDC-NHCUHLMSSA-N 463.563 4.397 50 10 JIGE COC(=O)c1c(NC(=O)CNC(=O)c2ccc(Cl)cc2Cl)sc(/C(C)=C/C#N)c1C 1873427554 YTXQODXLFHNJHM-UXBLZVDNSA-N 466.346 4.445 50 10 JIGE COc1ccc(OC)c(-c2csc(/C(C#N)=C(\O)CCc3nc4ccccc4[nH]c3=O)n2)c1 1873921089 UUURHCZAVQUHMM-PGMHBOJBSA-N 460.515 4.489 50 10 JIGE O=C(N[C@@H](CBr)CC1CCCC1)c1ccc(I)c(O)c1 1926728845 QRYMOFLBKZRTJN-GFCCVEGCSA-N 452.130 4.070 50 10 JIGE C[C@@H]1[C@H](Br)CCCN1c1ncc(I)cc1Br 1988531028 NSODQYRYAJJMBB-VXNVDRBHSA-N 459.951 4.201 50 10 JIGE CC1(C)CN(c2ncc(I)cc2Br)CC[C@H]1Br 2015757103 OQUMRTWYEIIAIC-SNVBAGLBSA-N 473.978 4.449 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1C[C@H]2CC[C@@H]([C@H]1F)N2C(=O)OC(C)(C)C 2016175572 MENKFYNOZBRZNE-QZWWFDLISA-N 479.684 4.361 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CN(Cc2ccccc2)[C@]2(CCCOC2)C1 2061261622 BGZIGUIJRXLTDP-XUZZJYLKSA-N 481.728 4.306 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@H]2CC(Br)C[C@@H]2C1 2128654563 IAKBUFLXLJYHQG-RKDXNWHRSA-N 498.984 4.299 50 10 JIGE O=C(c1ccc(F)cc1I)N1C[C@@H]2CCC[C@H](Br)[C@H]2C1 2150958668 OSSITVVCNBJPQK-XDTLVQLUSA-N 452.105 4.066 50 10 JIGE Cc1c(CBr)cccc1S(=O)(=O)N1CCC[C@H](N(C)Cc2ccccc2)C1 2179778714 GCQRKXOANKMQIC-FQEVSTJZSA-N 451.430 4.175 50 10 JIGE CN(Cc1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2cc(CBr)ccc2F)C1 2179786345 ZKJJKHDXZWWABA-GOSISDBHSA-N 455.393 4.006 50 10 JIGE C=C[C@]1(CBr)COCCN1C(=O)c1cc(Br)cc(Br)c1 2199849889 XLFANRFFUPWQCP-AWEZNQCLSA-N 467.983 4.004 50 10 JIGE CSCC[C@@H](Br)CCNC(=O)c1ccc(C)c(I)c1 2224626620 JOJFQYWPPYGODL-LBPRGKRZSA-N 456.187 4.236 50 10 JIGE CCN(C[C@](C)(CI)OCC12CC(C(F)F)(CO1)C2)C(=O)OC(C)(C)C 2266241473 VEJKZCONGXPIKS-AOCRQIFASA-N 489.341 4.268 50 10 JIGE COc1cc(OC)c([C@H](Br)c2cn(C)nc2Br)cc1Br 2295421166 LHECCWBPOCWZRZ-LBPRGKRZSA-N 468.971 4.447 50 10 JIGE CCOC(=O)C(C#N)=Cc1c(N(Cc2ccccc2)Cc2ccccc2)nc2ccccn2c1=O 2296732273 OZSPUJDPDUZOSO-UHFFFAOYSA-N 464.525 4.371 50 10 JIGE COc1ccc(C=NNC(=O)CCc2nc3ccccc3[nH]c2=O)cc1OCc1cccc(Cl)c1 2321685210 YCTMNRIFFHJWKY-UHFFFAOYSA-N 490.947 4.247 50 10 JIGE Cc1nn(-c2nc(C(F)(F)F)ccc2CBr)c(C)c1I 2369876915 KHABGNKGEWFXEJ-UHFFFAOYSA-N 460.035 4.402 50 10 JIGE Cl[C@@H]1COC2(CCN(Cc3ccc(I)c(Br)c3)CC2)C1 2377312263 DKBMDEZELWMZHA-LBPRGKRZSA-N 470.576 4.416 50 10 JIGE COc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(F)cc3)nc3c(C)cccn3c2=O)cc1 2406427 DMHPNNNWWGPVLI-VKAVYKQESA-N 470.460 4.489 50 10 JIGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(C)C)cc2)cc1 14029065 IYCQEZLBHXQCFJ-UHFFFAOYSA-N 471.623 4.484 50 10 JIGE COc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OC)c2OC)c1 38658716 OZKGJWQHAXZZSH-QHCPKHFHSA-N 458.470 4.150 50 10 JIGE COc1cccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc([N+](=O)[O-])c2)CCC3)c1 40813003 TZTOMNHXHARPTQ-LGUFXXKBSA-N 462.462 4.228 50 10 JIGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)/C(C#N)=C/c1ccccc1 40870023 AJUGYIKHUILAEG-RCJIYZEVSA-N 463.493 4.431 50 10 JIGE N#C/C(C(=O)NCCc1ccccc1)=C1\N=C(NC(=O)c2ccc(Br)cc2)c2ccccc21 102984974 QETFOKPPBQSQPA-GHVJWSGMSA-N 499.368 4.233 50 10 JIGE Nc1nc2ccc(CC(=O)N/N=C\c3c(O)ccc4cc(Br)ccc34)cc2s1 169917153 QEUAYQVOTPCRAF-RMORIDSASA-N 455.337 4.193 50 10 JIGE CCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)C1=O 214216619 RHTXLZHYIPCFTG-HMAPJEAMSA-N 467.485 4.450 50 10 JIGE CCC(CBr)(CBr)NC(=O)c1ccc(F)cc1I 232859999 UEESMXVQKOUUFF-UHFFFAOYSA-N 492.952 4.099 50 10 JIGE O=C(Oc1cccc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)c1)c1cccs1 254754211 FLJUKXGPDIQUJV-UHFFFAOYSA-N 456.523 4.354 50 10 JIGE FC(F)(F)Oc1nc(I)cc(Br)c1CBr 396160355 QHRTWPNOVDUEPR-UHFFFAOYSA-N 460.813 4.242 50 10 JIGE O=C(c1cccc(F)c1I)N1C[C@@H]2CC[C@@H](Br)C[C@H]2C1 721690374 FOGHMQZZBBHMSH-GARJFASQSA-N 452.105 4.066 50 10 JIGE CCn1nc(C)c(CNC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)c1C 727330928 DJMWYWDTVQWFTP-XDHOZWIPSA-N 461.957 4.174 50 10 JIGE CNC(=O)c1cc(NC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)ccc1Cl 918645530 BNWWDNWJVPMUMA-ATVHPVEESA-N 458.909 4.022 50 10 JIGE COc1cc(Br)cc(C=NNC(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)c1O 1082753753 GYUQVTZJCYQUDL-UHFFFAOYSA-N 486.297 4.319 50 10 JIGE O=C(CSc1ccc(C=NNC(=O)c2ccccc2)cc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 1083986151 YTRJVWIPRBSKFJ-UHFFFAOYSA-N 464.459 4.242 50 10 JIGE Cc1nn(-c2ccccc2)c(Cl)c1C=NNC(=O)CNc1ccc(I)cc1 1084073767 RXNHHYBBLORZQM-UHFFFAOYSA-N 493.736 4.001 50 10 JIGE CN1C(=O)C(=NNC(=O)COc2ccc(C3CCCCC3)cc2)c2cc(Br)ccc21 1084344555 PCDLCGFNGCPJKU-UHFFFAOYSA-N 470.367 4.373 50 10 JIGE Cc1cc(C=NNC(=O)C(=O)N[C@@H](C)c2ccccc2)c(C)n1-c1cccc(Br)c1 1084644957 FKJBYHMKMQYIAO-INIZCTEOSA-N 467.367 4.184 50 10 JIGE CC(=O)N[C@H](C(=O)N1CC[C@@H](O[Si](C)(C)C(C)(C)C)C1)c1cccc(Br)c1 1301523663 FZFMPXWTSWYCTC-MSOLQXFVSA-N 455.469 4.249 50 10 JIGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2c(F)cccc2Cl)cc1 1865709257 SBMUKOYKUZKIBS-HXUWFJFHSA-N 452.873 4.037 50 10 JIGE CC(C)(C)OC(=O)N1CC(N(C[C@]2(CBr)CC2(F)F)OCc2ccccc2)C1 1893489516 QEXURZAFVVGJGI-LJQANCHMSA-N 461.347 4.460 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCNC1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1985347334 QLELYPBZCJSBJN-HZPDHXFCSA-N 461.694 4.128 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1C[C@H]2C[C@H]1C[C@@H]2NC(=O)OC(C)(C)C 1985350815 WOFAFDUIGJBKSC-HZMVEIRTSA-N 461.694 4.174 50 10 JIGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CCC(F)(CBr)CC1 2101297269 BPCUCFLQONFQIG-UHFFFAOYSA-N 455.596 4.052 50 10 JIGE O=C(c1cc(Br)c(Br)s1)N1CCO[C@@H]2C[C@@H](Br)C[C@H]21 2128866731 HHBDPEFWDQHYRV-NBEYISGCSA-N 474.012 4.040 50 10 JIGE Brc1cc(I)cnc1N1[C@H]2CC[C@@H](Br)[C@H]1CC2 2216286911 YZMFWONOYNPDIZ-IQJOONFLSA-N 471.962 4.343 50 10 JIGE O=C(N[C@@]1(CBr)C[C@H]2CC[C@H]1C2)c1cccc(F)c1I 2283928116 HLGVYMOAFDCGGG-AMJWSMQMSA-N 452.105 4.114 50 10 JIGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)C(C#N)=Cc2ccc(OCC)c(OC)c2)c(OCC)c1 2293190743 RLPWWUGCNNWXLY-UHFFFAOYSA-N 490.512 4.475 50 10 JIGE COc1ccc(C=CC(=O)NNC(=O)c2ccc(-c3ccc(Cl)cc3)nc2C)cc1OC 2321059205 WQNNKVHQJYUDOA-UHFFFAOYSA-N 451.910 4.202 50 10 JIGE Cn1cc(I)c(C[C@H](CBr)Cc2ccc(Cl)cc2)n1 2341762222 HBRPRQQJQIRRCU-LLVKDONJSA-N 453.549 4.474 50 10 JIGE COc1cc(CBr)cc(Cl)c1OCc1nn(C)cc1I 2367604719 AXOBYAVBPIXIRK-UHFFFAOYSA-N 471.520 4.161 50 10 JIGE COc1cnc(COc2c(Br)cc(Br)cc2CBr)nc1 2380344642 NDHCQAFBDPCYQS-UHFFFAOYSA-N 466.955 4.484 50 10 JIGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)Cc2ccccc2)cc1Br 14641130 NZZQGUGIGOWAEG-UHFFFAOYSA-N 492.439 4.286 50 10 JIGE CC(C)(CCl)C(=O)N1CCCN(C(=O)CN2CCc3sccc3[C@H]2c2cccc(F)c2)CC1 34788601 HCIXEFRJFULDQT-HSZRJFAPSA-N 492.060 4.161 50 10 JIGE CCCCOc1ccc(/C=C2/C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1OC 38608523 SWZJURGLYZDTHE-RGVLZGJSSA-N 474.513 4.395 50 10 JIGE CCN(c1ncnc(NNC(=O)c2ccc(OC)cc2)c1[N+](=O)[O-])c1cccc2ccccc12 40589290 DDSDWQZJBBRETJ-UHFFFAOYSA-N 458.478 4.462 50 10 JIGE COc1cc([C@H](C(=O)NC2CCCCC2)N(Cc2ccc(C)cc2)C(=O)CCl)ccc1O 97914630 HKIAGNNHKYKZNT-XMMPIXPASA-N 458.986 4.467 50 10 JIGE CC(C)(C)c1ccc(OCCN2C(=O)C(=NNC(=O)Cc3ccccc3)c3ccccc32)cc1 252474875 NWXTZEDTUSWJIQ-UHFFFAOYSA-N 455.558 4.473 50 10 JIGE CN1C(=O)C(=NNC(=O)c2ccc(CN3C(=O)c4cccc5cccc3c45)cc2)c2ccccc21 254876998 LLVGYDMYQOCDNT-UHFFFAOYSA-N 460.493 4.111 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1CCC[C@@H](CBr)CC1 381078981 AJXPSPNVGFLYDQ-SNVBAGLBSA-N 490.055 4.397 50 10 JIGE C[C@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2C(=O)c1ccc(F)cc1I 686181087 YKOFFKOKAHMGBM-LGYCOIBBSA-N 452.105 4.207 50 10 JIGE O=C(CBr)c1c(I)ccc(OCc2ccccc2)c1[N+](=O)[O-] 694953730 SKJLCIDIFGYXPT-UHFFFAOYSA-N 476.064 4.356 50 10 JIGE C[C@@H]1CCN(C(=O)c2ccc(I)c(Br)c2)C[C@@H]1Br 721608180 FAMNHIGOQVPRLO-KCJUWKMLSA-N 486.973 4.299 50 10 JIGE CCCN1CCC(NC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)CC1 726931570 AHFMZCFUKIGOCR-CYVLTUHYSA-N 450.974 4.015 50 10 JIGE COc1cc(/C=C(\C#N)C(=O)N(C)C)cc(I)c1OCc1ccc(F)cc1 1084201943 DQHPBCMGOZSWQA-OVCLIPMQSA-N 480.277 4.013 50 10 JIGE C/C(=C\C(=O)NNc1ccccc1S(=O)(=O)NC(C)(C)C)c1cccc(C(F)(F)F)c1 1151653072 UMQXAVYVQWPGLL-WYMLVPIESA-N 455.502 4.329 50 10 JIGE O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)N/N=C/c1ccccc1C(F)(F)F 1860772804 HINJKIMCSKXALY-YPXUMCKCSA-N 456.449 4.294 50 10 JIGE CCCSc1ccccc1C(=O)NNC(=O)Cn1cnc2sc(C)c(-c3ccccc3)c2c1=O 1865851489 CRKGSPZAUHHNEW-UHFFFAOYSA-N 492.626 4.397 50 10 JIGE Cc1cccc(C(=O)N[C@@H]([C@H](C)Br)C(F)(F)F)c1I 1882653423 VLPAORRTEKIZGY-XVKPBYJWSA-N 450.036 4.044 50 10 JIGE CN(CCCCBr)C(=O)c1ccc(Br)cc1I 2026221751 OWLDEVAMNPKQMT-UHFFFAOYSA-N 474.962 4.301 50 10 JIGE O=S1(=O)C[C@H]2[C@@H](C1)[C@@H]2[C@H](Cl)c1c(Br)sc(Br)c1Cl 2054220730 ZWAZTVHTYHMCTH-OHKRPGQBSA-N 455.020 4.497 50 10 JIGE CN(CC1CC(Br)C1)[C@H](CN)c1cc(Br)c(Br)s1 2076249816 GPKYAKZQMVQSPD-SFVIPPHHSA-N 461.061 4.378 50 10 JIGE O=C(NCC[C@H](Br)C1CC1)c1ccc(Br)cc1I 2086144991 HLXDDDCNYCWXPF-NSHDSACASA-N 486.973 4.347 50 10 JIGE O=C(c1cc(Br)ccc1Br)N1C[C@@H]2CC[C@@H](Br)[C@H]2C1 2087938589 YCHRKHFRDJMGRW-LJUAHTATSA-N 451.984 4.457 50 10 JIGE CCN1CC[C@H]([C@H](Br)c2cc(Br)ccc2Br)S1(=O)=O 2089522873 LLIWAJAVNWDBTO-VXGBXAGGSA-N 476.028 4.072 50 10 JIGE C=C[C@]1(CBr)COCCN1Cc1ccc(I)c(Cl)c1 2142942219 BJPOINRNIBACBX-AWEZNQCLSA-N 456.549 4.097 50 10 JIGE O=C(c1cc(I)ccc1F)N1C[C@H](Br)CCC12CCC2 2174527556 UBYDKVNZBCEXGF-SNVBAGLBSA-N 452.105 4.353 50 10 JIGE O=S(=O)(c1cc(CBr)sc1Br)N(CC(F)(F)F)C1CC1 2179790496 FHYCMGGSJVGGIQ-UHFFFAOYSA-N 457.131 4.121 50 10 JIGE C[C@@]1(CCOCc2ccccc2)CCN1S(=O)(=O)Cc1ccc(CBr)cc1 2197752409 KGQVCOZQIHFSPC-NRFANRHFSA-N 452.414 4.483 50 10 JIGE Cc1ccc(C(=O)N2CC[C@@H](Br)C(F)(F)CC2)cc1I 2232838120 BIGZWQOBZPRLFN-GFCCVEGCSA-N 458.084 4.234 50 10 JIGE O=C(c1c(F)cccc1I)N1CCC([C@@H](F)CBr)CC1 2282795843 YKTKSDOGUYXSJZ-NSHDSACASA-N 458.084 4.016 50 10 JIGE Cc1ccc(C2=NC(C(C#N)=Cc3ccccc3[N+](=O)[O-])=S=C2NC(=O)c2ccco2)cc1 2296731319 NJVXGDUTOMQCTL-UHFFFAOYSA-N 456.483 4.329 50 10 JIGE O=C1NC(=S)N(CCC2=CCCCC2)C(=O)C1=Cc1ccc2c(c1)CCN2CCCCl 2296943181 GSLKAGNGVRDFPR-UHFFFAOYSA-N 458.027 4.195 50 10 JIGE Cc1nn(-c2ccccc2)c(C)c1C=C(C#N)C(=O)OCC(=O)Nc1ccc(OC(F)F)cc1 2297364050 MCJIDLUYTDCRFC-UHFFFAOYSA-N 466.444 4.179 50 10 JIGE COc1cc(CN(C)C[C@H](Br)COCc2ccccc2)c(Br)cn1 2300096372 PAAKVDAGJZQUQX-INIZCTEOSA-N 458.194 4.265 50 10 JIGE CCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(Cl)cc2Cl)c(OC)c1 2314737531 SUZYXSAFPLXIGF-UHFFFAOYSA-N 463.317 4.420 50 10 JIGE COc1cc(C=NNC(=O)CSc2nc(O)c3c(-c4ccccc4)c(C)sc3n2)ccc1O 2320486464 YDUQHUQIHFZGDV-UHFFFAOYSA-N 480.571 4.329 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1C[C@@H]2[C@@H](CBr)C[C@H]2C1 2340052878 UDPUBYOMGAHQGF-VDDIYKPWSA-N 454.533 4.048 50 10 JIGE Cl[C@@H]1CN(Cc2ccc(I)c(Br)c2)C[C@@]2(CCCO2)C1 2377340709 VIUJNDLHCDPXIW-SWLSCSKDSA-N 470.576 4.416 50 10 JIGE CC[C@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 10295926 HVMBGDUBMOVPBS-KRWDZBQOSA-N 490.585 4.066 50 10 JIGE CC[C@H](C)c1ccccc1O[C@H](CC)C(=O)NNC(=O)COc1ccc(Br)cc1 10683492 GJHCVUOWFFNZNI-HNAYVOBHSA-N 463.372 4.346 50 10 JIGE C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NNC(=O)c1ccccc1Br 14644448 WUTNBFPVCGNTFV-SECBINFHSA-N 476.552 4.094 50 10 JIGE Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=O)c2cc(Br)ccc2OC(C)C)c1 14667995 BCQVMPWTFCKFEQ-UHFFFAOYSA-N 476.371 4.033 50 10 JIGE O=C1Nc2ccccc2/C1=N/NC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 27519972 VDFZVOYJBDPOTR-UHFFFAOYSA-N 453.285 4.332 50 10 JIGE CNC(=O)/C(C#N)=C1/S[C@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(Br)cc1 33389446 UYEWCMYZOMRMIS-PBEQFFAXSA-N 476.783 4.275 50 10 JIGE CCCCCN1C(=O)/C(=N/NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)c2cc(OC)ccc21 33959381 MGCVCXBCZRCXBN-NTXFERMYSA-N 457.958 4.482 50 10 JIGE COc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2OC)CCC3)c(OC)c1 40813179 ZDAUKFUSZIXIBX-TURZUDJPSA-N 477.517 4.337 50 10 JIGE CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1 40868350 HPTRJVRXXJYUSM-KNTRCKAVSA-N 462.531 4.217 50 10 JIGE COc1cc(/C=N\NC(=O)c2cccn(Cc3ccc(Cl)cc3)c2=O)ccc1OC(C)C 169920280 DDGUIFXTMGFKGH-WGARJPEWSA-N 453.926 4.110 50 10 JIGE C=CCn1c(CNc2ccccc2)nnc1S[C@@H](C)C(=O)NN=Cc1cccc(Br)c1 252620100 LXKPSNMSUYKWHI-INIZCTEOSA-N 499.438 4.470 50 10 JIGE FC(F)(F)Oc1cc(CBr)c(I)c(Br)n1 396182502 PWTCMGKAWPUKDR-UHFFFAOYSA-N 460.813 4.242 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1CCCC[C@H](CBr)C1 696737976 QDRHCBCAWVKULQ-SNVBAGLBSA-N 490.055 4.397 50 10 JIGE COc1ccc(C)cc1N(CC(=O)NN=Cc1ccccc1Cl)S(=O)(=O)c1ccccc1 1084056412 ZPCSBWRXXWUOOV-UHFFFAOYSA-N 471.966 4.003 50 10 JIGE C#CCOc1ccc(C=NNC(=O)CSCc2ccc(Cl)cc2)cc1Br 1084191059 UAMPJGCWUHHMNW-UHFFFAOYSA-N 451.773 4.498 50 10 JIGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)NN=Cc1cnn(C(C)C)c1 1084624732 YWFMTODENPEVLD-UHFFFAOYSA-N 488.621 4.249 50 10 JIGE CCOc1ccc([C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CI)cc1OC 1614615494 DGXWUKFVPGDQSC-LSDHHAIUSA-N 461.340 4.479 50 10 JIGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccccc2Oc2cccc(F)c2)cc1 1622942914 KHUHOOWLGSLJKE-INIZCTEOSA-N 451.454 4.441 50 10 JIGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc(N3CCCC[C@H]3C)cc2C)cc1 1668012465 HQRIMCYZWRVYJZ-MJGOQNOKSA-N 452.555 4.197 50 10 JIGE CCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865706245 RCRBDKKLSJRKFT-LJQANCHMSA-N 451.870 4.223 50 10 JIGE O=C(N[C@H](CCBr)C(F)F)c1cc(Br)sc1Br 1918517987 AZRQCLMDWWJATR-RXMQYKEDSA-N 455.944 4.422 50 10 JIGE CC[C@@H]1CCOC[C@H]1O[C@]1(CI)CCCN(C(=O)OC(C)(C)C)C1 1947168670 KBBUTEJIIZEUGU-RKVPGOIHSA-N 453.361 4.023 50 10 JIGE C[C@@H]1CN(C(=O)c2cc(Br)ccc2I)CC[C@H]1CCl 2109038079 DZGLPDPMYRWWEV-ZJUUUORDSA-N 456.549 4.391 50 10 JIGE FC(F)(F)c1cnc(N2C[C@H]3C[C@H]2CC[C@H]3Br)c(I)c1 2144888847 BBDBFKSOHWILIX-SZEHBUNVSA-N 461.063 4.457 50 10 JIGE C[C@@H]1C[C@@H](Br)CCN(S(=O)(=O)c2cc(Br)ccc2Br)C1 2159537260 PATNPAUWJHKLIL-KOLCDFICSA-N 490.055 4.396 50 10 JIGE CC(C)(C)OC(=O)N1CC[C@](CNC(=O)[C@@H](Br)C2CCCC2)(C(F)(F)F)C1 2167681916 YUAHUCDCMNOZLJ-SUMWQHHRSA-N 457.331 4.246 50 10 JIGE C[C@H]1C[C@@H](N(C)S(=O)(=O)c2cc(F)ccc2CBr)CN1Cc1ccccc1 2179786468 AVNCNJMPRSKXLB-HNAYVOBHSA-N 455.393 4.004 50 10 JIGE Cc1cc(CBr)cc(S(=O)(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)c1C 2179861962 OPIUPILXGIWJIE-HXUWFJFHSA-N 451.430 4.093 50 10 JIGE CC1(C)C[C@](C)(CBr)CN1C(=O)c1cc(I)ccc1F 2199542089 KSSOCWFAVYEGGR-OAHLLOKOSA-N 454.121 4.456 50 10 JIGE O=C1c2ccccc2C(=O)N1C[C@H](Br)Cc1c(F)cc(F)cc1Br 2209519068 HUJJUHHTFMFDJV-SECBINFHSA-N 459.084 4.330 50 10 JIGE COc1ccc(NC(=O)C(C#N)=Cc2cc(Cl)c(OCC(=O)O)c(Br)c2)cc1 2294147027 YNZKQKJDYNCBQI-UHFFFAOYSA-N 465.687 4.120 50 10 JIGE CC(C)(CI)CN1CCCC[C@@H](C2CN(C(=O)OC(C)(C)C)C2)C1 2306820377 CZGKAPJIQLAGCS-OAHLLOKOSA-N 450.405 4.417 50 10 JIGE CC(=O)OCCCN1C(=O)C(=Cc2ccc(OCc3ccc(C)cc3)cc2)C(C)=C(C#N)C1=O 2314619721 CZIQREMYYMSUEZ-UHFFFAOYSA-N 458.514 4.120 50 10 JIGE O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)NN=CC=Cc1ccc(Cl)c(Cl)c1 2318356044 NRDGZKDBJBCVLW-UHFFFAOYSA-N 461.374 4.459 50 10 JIGE CCOc1ccc(C=NNC(=O)c2ccc(Nc3nc(O)c4ccccc4n3)cc2)cc1OC 2323766297 YISDISXIEPABSJ-UHFFFAOYSA-N 457.490 4.250 50 10 JIGE O=C(N[C@H]1C[C@@H](CBr)[C@H]2C[C@@H]12)c1cc(Br)cc(Br)c1 2329869350 BUXKASFAYLEXOU-KKBFJBPOSA-N 451.984 4.361 50 10 JIGE C=CC[C@@H](Cl)[C@@H]1CCN1C(=O)c1ccc(Br)cc1I 2335813389 HUGJFSDIUDDTPO-YPMHNXCESA-N 454.533 4.452 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CCC2CC1(CBr)C2 2336448284 BAQGNRDODLTMEE-UHFFFAOYSA-N 498.984 4.443 50 10 JIGE O=C(/C=C/c1ccccc1Cl)NC(=S)NNC(=O)c1ccccc1OCc1ccccc1 14030890 ZYXBESZNNMDNPZ-CCEZHUSRSA-N 465.962 4.268 50 10 JIGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2cccc(OCCC(C)C)c2)cc1 14644959 LQPQLSSMSYEWKR-GOSISDBHSA-N 471.623 4.340 50 10 JIGE CCOc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)cc1Br 14770345 VJAMCAXJLKTVIT-UHFFFAOYSA-N 496.361 4.483 50 10 JIGE O=C(COc1ccccc1)NNc1ncnc(Nc2ccc(Cl)c(C(F)(F)F)c2)c1[N+](=O)[O-] 40659482 PQYMULSGRKTHDW-UHFFFAOYSA-N 482.806 4.323 50 10 JIGE O=C(CCc1ccccc1)N/N=C1\C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 59147797 WXVQENLEYCYDMV-COOPMVRXSA-N 476.374 4.492 50 10 JIGE CCOCCCN(C(=O)CCl)[C@@H](C(=O)NC1CCCCC1)c1ccc(OC(C)C)c(OC)c1 97914682 BTINPHOSLKGIAL-XMMPIXPASA-N 483.049 4.466 50 10 JIGE COc1cc(/C=N\NC(=O)c2cccn(C(C)C)c2=O)ccc1OCc1cccc(Cl)c1 169919336 YEYIMTWJAGTGDM-WGARJPEWSA-N 453.926 4.434 50 10 JIGE Cc1cc(C=NNC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)c(C)n1-c1ccccc1 252630204 UWYLPRSBDDFGKX-UHFFFAOYSA-N 493.416 4.317 50 10 JIGE O=C(N[C@H](CBr)CC(F)F)c1cc(Br)c(Br)s1 717725217 WJMSJVABVYBNJT-BYPYZUCNSA-N 455.944 4.422 50 10 JIGE O=C(c1scc(Br)c1Br)N1CCS[C@@H](CBr)C1 720049784 SOTGKXTYRFZQCH-LURJTMIESA-N 464.042 4.226 50 10 JIGE Cc1ccc(C(C)C)c(OCC(=O)NN=C2C(=O)N(Cc3cccc([N+](=O)[O-])c3)c3ccccc32)c1 1084355495 KHQSZQNJYQUPLA-UHFFFAOYSA-N 486.528 4.473 50 10 JIGE CN1C(=O)C(=NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c2ccccc21 1084583844 FTVWLJOBQURGEN-UHFFFAOYSA-N 454.530 4.347 50 10 JIGE CC(C)=C1[C@H]2C=C[C@H]1[C@@H](C(=O)O)[C@H]2C(=O)NNC(=O)CSCc1c(C)c(C)c(C)c(C)c1C 1615947971 CDRLIIQMJUROSX-PBIIQAGSSA-N 470.635 4.079 50 10 JIGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@H](c2cccc(O)c2)C(C#N)=C(N)O3)cc1 1865681566 QNSRWPSYXOAWBN-HSZRJFAPSA-N 466.497 4.480 50 10 JIGE O=S(=O)(CCCCBr)c1cc(I)ccc1Br 1900826876 TUIYZEJKZCBOJW-UHFFFAOYSA-N 481.975 4.003 50 10 JIGE CN1CCC[C@@H]([C@H](Br)c2cc(Br)c(Br)s2)S1(=O)=O 2029051695 GGYRSWJJGFRMEI-DTWKUNHWSA-N 482.057 4.133 50 10 JIGE O=C(CCl)c1cc(C(F)F)cc(I)c1I 2060389218 JOQCGTMQKZHWOR-UHFFFAOYSA-N 456.395 4.255 50 10 JIGE CCN(C[C@@](C)(CI)OC[C@@H]1CC12CCOCC2)C(=O)OC(C)(C)C 2077642403 BBDIODWISHHQSW-MAUKXSAKSA-N 467.388 4.270 50 10 JIGE Cc1cncc([N+](=O)[O-])c1-n1nc(CBr)c(I)c1C(F)(F)F 2078916594 VZFFULDZHKCAEB-UHFFFAOYSA-N 491.005 4.002 50 10 JIGE C[C@@H](NS(=O)(=O)c1cc(Br)ccc1Br)C(C)(C)CBr 2090542740 RZLPGDOEQAZJJV-MRVPVSSYSA-N 478.044 4.300 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1CC[C@H]2[C@H](C1)[C@@H]2CBr 2093137993 PKNKDHXCTNBBGL-JLLWLGSASA-N 454.533 4.048 50 10 JIGE C[C@H](CCCCCI)NS(=O)(=O)c1cccc(Br)c1 2117895484 SBPRKPNZDRMEGB-LLVKDONJSA-N 460.175 4.111 50 10 JIGE C[C@@H](Br)C[C@H]1CCCCCN1C(=O)c1cc(I)sn1 2120026145 MXKBBNOUJKMRFK-NXEZZACHSA-N 457.175 4.306 50 10 JIGE C[P@]1(=O)C[C@H](Br)[C@H](NC(=O)c2cccc(Br)c2Br)C1 2121369286 RTKLYTZTQXGQJZ-DQPNGWRMSA-N 473.927 4.080 50 10 JIGE O=S(=O)(c1cc(Cl)cc(CBr)c1F)N(Cc1ccccc1)[C@@H]1CCOC1 2123268844 OJGISAPYELPFQD-MRXNPFEDSA-N 462.768 4.354 50 10 JIGE O=S(=O)(c1ccc(Br)c(CBr)c1)N1CC=C(Br)CC1 2123363449 OTBCJWYJRFCWAD-UHFFFAOYSA-N 474.012 4.017 50 10 JIGE O=C(N[C@@H]1CC[C@@H]2C[C@@]21CBr)c1ccc(Br)cc1I 2142278775 HWSJIPRNTHXJKA-IHPUGEDLSA-N 498.984 4.347 50 10 JIGE O=C(N[C@@H]1COC2(CCN(C(=O)OCc3ccccc3)CC2)C1)[C@H](Br)C1CCCC1 2167033441 RJNLOZROYYDDMX-VQTJNVASSA-N 479.415 4.017 50 10 JIGE C[C@@H]1CN(Cc2ccccc2)CCCN1S(=O)(=O)c1ccc(CBr)cc1F 2179789920 XLJZSCKMGVOPED-MRXNPFEDSA-N 455.393 4.006 50 10 JIGE CC(C)n1cc(S(=O)(=O)N(C)[C@H]2CC[C@H]2OCc2ccccc2)cc1CBr 2179859221 AAAFKZKIKRUICZ-VQTJNVASSA-N 455.418 4.332 50 10 JIGE CCCn1cc(S(=O)(=O)N(CC)CCCOCc2ccccc2)cc1CBr 2179859831 JRMRZVRQXSOASI-UHFFFAOYSA-N 457.434 4.411 50 10 JIGE C[C@@H]1[C@@H](O[C@@H](CI)c2cccc(Br)c2)C2CCN1CC2 2198009248 JTAPGXTTYBBIPY-XFBWCDHKSA-N 450.158 4.425 50 10 JIGE C[C@]1(CBr)COCCN(C(=O)c2cc(Br)cc(Br)c2)C1 2199826231 YESTWTKSWLMPHY-CQSZACIVSA-N 469.999 4.085 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@](CI)(O[C@@H]2CC[C@@H]3[C@H]2C3(F)F)C1 2216575622 AIFZPRATUYYZAJ-BRXULGCHSA-N 457.299 4.251 50 10 JIGE CCCCOc1ccc(C=C(C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1OC 2296729334 AYOSUTOKZWUVFO-UHFFFAOYSA-N 460.534 4.218 50 10 JIGE COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccccc2Br)cc1 2297265782 IUJHYKXHGPYCHU-UHFFFAOYSA-N 478.346 4.379 50 10 JIGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=C(C)c2cc(O)ccc2O)cc1 2297321139 FKWXHTBRLBSUIZ-UHFFFAOYSA-N 486.572 4.255 50 10 JIGE Cc1ccc(C(=O)NNC(=S)NC(=O)C=Cc2cccc3ccccc23)cc1Br 2313616889 LRXMRJGBVRCWAK-UHFFFAOYSA-N 468.376 4.260 50 10 JIGE CCOc1ccc(C=C(C#N)C(=O)Oc2ccc3cc(C(=O)N[C@@H](C)CC)c(=O)oc3c2)cc1 2314751045 MUFOAPLLWYBFCT-INIZCTEOSA-N 460.486 4.233 50 10 JIGE CCOC(=O)C(C#N)=Cc1cccc(OC(=O)c2ccc(C(=O)C(=O)c3ccccc3)cc2)c1 2314753269 SBFHKJDIKVGKFJ-UHFFFAOYSA-N 453.450 4.441 50 10 JIGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)cc1 2314785798 NWEZQPHILWUTTK-HXUWFJFHSA-N 470.525 4.396 50 10 JIGE CCN(CCOCCBr)Cc1ccc(I)c(Br)c1 2325211219 GTFGMJQUBFYHRO-UHFFFAOYSA-N 491.005 4.287 50 10 JIGE O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)NN=Cc1ccc(C(F)(F)F)cc1 2325903590 YIXIHRAPGMVFIX-UHFFFAOYSA-N 456.449 4.294 50 10 JIGE COCCOc1ccc(C=C(C#N)C(=O)N[C@@H]2CCCc3c2c(C)nn3Cc2ccccc2)cc1 2331118954 OZNWTDQBQUVJPW-RUZDIDTESA-N 470.573 4.366 50 10 JIGE COc1cc(C(=O)NCC(O)=C(C#N)c2nc(-c3ccc(C)cc3)cs2)cc(OC)c1OC 2331312167 OSTISSVUGDTVLP-UHFFFAOYSA-N 465.531 4.367 50 10 JIGE BrC[C@H]1CCC2(CN(Cc3cc(Br)ccc3Br)C2)O1 2336704443 KPGICRXBQONGGV-GFCCVEGCSA-N 454.000 4.340 50 10 JIGE COc1ncc(Cl)cc1COC1(CI)CCN(C(=O)OC(C)(C)C)CC1 2340115918 WISZYHZNMPJOKH-UHFFFAOYSA-N 496.773 4.465 50 10 JIGE O=C(c1ccc(F)cc1I)N1C[C@H]2CC(Br)C[C@@H](C2)C1 2364149292 RBWZFTFCUWZFRX-NXEZZACHSA-N 452.105 4.066 50 10 JIGE CN(Cc1c(Br)cccc1Br)S(=O)(=O)[C@@H](CBr)C1CC1 2366217851 VESSEZUMZHBNLF-ZDUSSCGKSA-N 490.055 4.147 50 10 JIGE C[C@@H](Br)CN(C1CCCC1)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2368855265 QFSBHOUYIUXPBP-QGZVFWFLSA-N 499.471 4.201 50 10 JIGE COCCCNC(=O)/C(C#N)=C\c1c(Oc2ccc(C(C)(C)C)cc2)nc2c(C)cccn2c1=O 2431865 HLMZVGDJXSAKAN-MNDPQUGUSA-N 474.561 4.152 50 10 JIGE CC(C)COc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2OCCc2ccccc2)cc1 10510963 HPMNLOJMKFFHBK-UHFFFAOYSA-N 491.613 4.292 50 10 JIGE Cc1nc(-n2nc(-c3cccs3)cc2NC(=O)[C@H](C)Cl)[nH]c(=O)c1Cc1ccccc1 11855402 JYAKQLHYGDCLEA-ZDUSSCGKSA-N 453.955 4.149 50 10 JIGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=O)c1ccc(F)cc1 12491575 NFMCFYGLWBHOJC-UHFFFAOYSA-N 496.130 4.344 50 10 JIGE CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(Cl)cc2Cl)cc1 14037209 QFJFCYITEJFEBS-UHFFFAOYSA-N 454.379 4.368 50 10 JIGE CCCOc1ccc(C(=O)NNC(=O)CCC(=O)Nc2cccc(Cl)c2C)cc1Br 14647288 RYJZWDRPVFEKKD-UHFFFAOYSA-N 496.789 4.380 50 10 JIGE COc1cc(C=NNC(=O)c2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccccc1C 15018773 BMWVIVZKLAGLHQ-UHFFFAOYSA-N 451.910 4.438 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CC[C@H](CCBr)C1 232461919 OCLXEJJWONOACW-VIFPVBQESA-N 486.973 4.301 50 10 JIGE FC(F)c1c(CBr)cc(I)nc1I 238594268 LVUVDCXSWFJDHO-UHFFFAOYSA-N 473.824 4.123 50 10 JIGE CC(/C=C(\NC(=O)c1ccccc1)C(=O)NN=Cc1cccc([N+](=O)[O-])c1)=C\c1ccccc1 254345475 ZLKJFDMRPNMYGE-CSAIJDSMSA-N 454.486 4.462 50 10 JIGE COc1cc(C(=O)NN=C(C)c2cccc(NC(=O)c3cccs3)c2)cc(OC)c1OC 254485735 BZSOVLVJFUQEQW-UHFFFAOYSA-N 453.520 4.180 50 10 JIGE COC(=O)c1c(NC(=O)NN=Cc2cc(Br)ccc2O)sc2c1CCCC2 256017327 FYQVOJKQSDYSCM-UHFFFAOYSA-N 452.330 4.037 50 10 JIGE CC[C@H](Br)c1cn(-c2ccc(I)c(Br)c2)nn1 304180764 AXZNAXMWPJCWBN-QMMMGPOBSA-N 470.934 4.480 50 10 JIGE CN(C[C@H]1CCC[C@@H]1Br)S(=O)(=O)c1cc(Br)ccc1Br 689295418 LJDKHBRZSCHUGM-KOLCDFICSA-N 490.055 4.396 50 10 JIGE O=[N+]([O-])c1sc(CBr)cc1N1CC[C@]2(CN(Cc3ccccc3)CCO2)C1 717594488 QTCACGZHZQHYJC-IBGZPJMESA-N 452.374 4.033 50 10 JIGE C#CCN(C(=O)CCC(=O)C(C#N)=C1N(C)c2ccccc2N1C)[C@@H]1CCCc2ccccc21 1647736007 CJEKZFJFCBAHLH-HSZRJFAPSA-N 452.558 4.196 50 10 JIGE O=C(N[C@H]1C[C@@H]([C@H](F)CCl)C1)c1cc(Br)ccc1I 1906509953 JUDLMCJOPPJGPK-POZPLHJXSA-N 460.512 4.139 50 10 JIGE CC[C@H]1CN(c2ncc(I)cc2Br)C[C@@H]1CBr 2025365457 ZZSDUJIEOHAMCC-IUCAKERBSA-N 473.978 4.306 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1C[C@@H]2CC[C@H](Br)[C@H]2C1 2087938758 ZJPULLNTTIFURM-DCAQKATOSA-N 454.533 4.190 50 10 JIGE O=S(=O)(c1ccc(Cl)c(CBr)c1)N1CCCN(Cc2ccccc2)CC1 2123207483 AEKKKVVRNCRTQS-UHFFFAOYSA-N 457.821 4.132 50 10 JIGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1C[C@@H](F)[C@@H](CBr)C1 2177132688 XDPDTVPWTQXVTO-QUBYGPBYSA-N 469.985 4.109 50 10 JIGE C[C@H]1CN(C(=O)c2cc(Br)ccc2Br)C[C@@H](CCBr)O1 2179373383 FJWRLNGCWBPHDJ-GXSJLCMTSA-N 469.999 4.226 50 10 JIGE O=S(=O)(c1cc(CBr)cs1)N1CC[C@H]2CCN(Cc3ccccc3)C[C@@H]2C1 2179820798 CBGDMRNUGDZXMH-RTBURBONSA-N 469.470 4.176 50 10 JIGE CCc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)C[C@H]2C)cc1CBr 2179861964 OPTWKEITKAINOK-QGZVFWFLSA-N 451.430 4.039 50 10 JIGE C[C@H]1CN(Cc2ccccc2)CCN1S(=O)(=O)c1cc(Cl)cc(CBr)c1F 2179862343 VCDHNOLNSQMBQH-AWEZNQCLSA-N 475.811 4.269 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1[C@H]2CC[C@H]1[C@H](F)[C@H](Br)C2 2190680411 WHFCFCHJQDQNGZ-YPWHJJHSSA-N 472.523 4.423 50 10 JIGE C[C@@]1(CCOCc2ccccc2)CCN1S(=O)(=O)Cc1cccc(CBr)c1 2197756877 YFAXTTZRRNFPNY-NRFANRHFSA-N 452.414 4.483 50 10 JIGE CN(C[C@@H]1CC1(Br)Br)C[C@@H](Br)COCc1ccccc1 2209113794 NWJBRUJGJSVINW-UONOGXRCSA-N 470.043 4.405 50 10 JIGE Cn1nc(Br)c(C[C@@H](CBr)Cc2ccc(Br)cc2)n1 2226984893 LOWCCGNAFOVVIF-JTQLQIEISA-N 451.988 4.136 50 10 JIGE CN(C[C@@H](Br)C1CCCC1)C(=O)c1c(F)cccc1I 2282794697 MQZLERUIHQTVOY-LLVKDONJSA-N 454.121 4.456 50 10 JIGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)CCCOc2ccc(OC)cc2)c(OCC)c1 2293190690 AQCKFKWCHOHJGG-UHFFFAOYSA-N 453.491 4.329 50 10 JIGE O=C(NCCC(F)(F)CBr)c1ccc(Cl)cc1I 2317764458 AVPCNMAQEFSTBE-UHFFFAOYSA-N 452.464 4.095 50 10 JIGE COc1ccc(OC)c(NC=C(C#N)C(=O)Nc2ccc(I)cc2C)c1 2325405976 CMEPGSKTPRPMMJ-UHFFFAOYSA-N 463.275 4.075 50 10 JIGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2cccc(Cl)c2)sc(C(=O)OCCOC)c1C 2329687207 MJJPAGQWTMZUPV-UHFFFAOYSA-N 476.938 4.236 50 10 JIGE Clc1ccc(CN2CCC[C@H](OCCBr)C2)c(I)c1 2341010259 NOVZUTMIQONIAT-ZDUSSCGKSA-N 458.565 4.321 50 10 JIGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCCC[C@@H]1CCCBr 2364208600 KGLROBRZQDXIIH-GOSISDBHSA-N 499.471 4.202 50 10 JIGE CSCc1nc2ccccc2n1CC(=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1 17200671 QCZQCZYZUJKPQM-UHFFFAOYSA-N 478.549 4.079 50 10 JIGE N#CC1=C(N)OC2=C([C@H]1c1cccc(F)c1)S(=O)(=O)N(Cc1ccccc1F)c1ccccc12 20558512 QZELDDDFYJYYNO-QFIPXVFZSA-N 477.492 4.491 50 10 JIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccs4)ccc32)cc(OC)c1OC 38660514 ZAAQZUPTPRRWJD-NRFANRHFSA-N 464.499 4.211 50 10 JIGE COc1ccc(/C=C(/C#N)C(=O)Nc2sccc2C(=O)OC(C)C)cc1Cn1cc([N+](=O)[O-])cn1 98063488 BADUFIWHZWOOIO-PXNMLYILSA-N 495.517 4.021 50 10 JIGE O=C(CSc1nnc(C23CC4CC(CC(C4)C2)C3)n1-c1ccccc1)NNC(=O)c1ccccc1 253573651 RRHIZXFICBULQW-UHFFFAOYSA-N 487.629 4.288 50 10 JIGE CC(=NNC(=O)[C@H](C)Nc1nc2ccccc2s1)c1ccc(S(=O)(=O)C2CCCC2)cc1 914695073 CZYJTKDGLCLBRP-INIZCTEOSA-N 470.620 4.353 50 10 JIGE O=C(Cc1ccc([N+](=O)[O-])cc1)NN=Cc1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1 1084416057 JVPPSIQCMMUWKA-UHFFFAOYSA-N 473.239 4.218 50 10 JIGE CCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(OC)c(OC)c1)C(C#N)=C(N)O2 1865707774 GBYPEHJKAWWXOT-NRFANRHFSA-N 450.926 4.383 50 10 JIGE O=C1c2ccccc2C(=O)N1C[C@@H](Br)Cc1cc(F)c(Br)cc1F 1905371997 QTZZEUTZFCZRCM-JTQLQIEISA-N 459.084 4.330 50 10 JIGE CC[C@@H]1SC(=C(C#N)C(=O)NCc2ccccc2)N(c2ccc(Br)cc2)C1=O 2040491108 UNUCMOGSPSZWTG-SFHVURJKSA-N 456.365 4.359 50 10 JIGE CN(C[C@H]1C[C@@H]1Br)C(=O)c1cc(Cl)cc(Cl)c1I 2076209458 RTNQFFRWSCDQQU-MUWHJKNJSA-N 462.940 4.453 50 10 JIGE O=C(N[C@@H]1CC[C@H]2C[C@]21CBr)c1cc(Cl)ccc1I 2132116802 SEQIAIOKYVAORV-PELMWDNLSA-N 454.533 4.238 50 10 JIGE CCN1CCC[C@H]([C@H](Br)c2c(Br)cccc2Br)S1(=O)=O 2150503380 LOYYSPSYSDVRGU-YPMHNXCESA-N 490.055 4.462 50 10 JIGE Cc1ccc(CBr)cc1S(=O)(=O)N1CCC[C@@H](N(C)Cc2ccccc2)C1 2179785069 HJMDZNMZQCTOQJ-HXUWFJFHSA-N 451.430 4.175 50 10 JIGE Cc1oc(CBr)cc1S(=O)(=O)N(C)[C@@H]1CN(Cc2ccccc2)C(C)(C)C1 2179809326 SFWACPZCCHDJNV-KRWDZBQOSA-N 455.418 4.157 50 10 JIGE O=C(NCC1(CCl)CC(F)(F)C1)c1cc(I)ccc1Br 2281662482 WNLKURRAYFWJMT-UHFFFAOYSA-N 478.502 4.438 50 10 JIGE CCc1nn2c(=O)cc(COc3ccc(C=C(C#N)C(=O)Nc4ccccc4C)cc3)nc2s1 2297350720 FCBZWXUVODBYNT-UHFFFAOYSA-N 471.542 4.147 50 10 JIGE CC(C)(C)OC(=O)NC[C@@](C)(CI)O[C@H]1CCOc2ccc(F)cc21 2316974633 KFXKVWXHFNQZEL-MAUKXSAKSA-N 465.303 4.384 50 10 JIGE O=C(N[C@@H]1C[C@@H]2C[C@H]1C[C@H]2Br)c1ccc(I)c(Br)c1 2330912365 CTPNYZPIEIDLSQ-QISWUMQESA-N 498.984 4.346 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CN(Cc2ccccc2)C2(CCC2)C1 2350353283 JOXSUQFADJMEJE-XMMPIXPASA-N 495.711 4.134 50 10 JIGE CN([C@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)S(=O)(=O)[C@@H]1CC[C@H](CBr)C1 2355845656 TZUYKYGYAUWBRA-JRSUCEMESA-N 455.462 4.007 50 10 JIGE Clc1ccc(I)c(CN2CC3(CCOCC3)[C@H]2CBr)c1 2381059843 PTASVWMAJMDHSP-CQSZACIVSA-N 470.576 4.321 50 10 JIGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccc(F)cc3)c(OC)c2)C1=O 38606632 CEYUKEHCOYQENU-HYARGMPZSA-N 478.520 4.432 50 10 JIGE CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cccc([N+](=O)[O-])c3)ccc21 38650580 CYKFSQYLPVFZCJ-QHCPKHFHSA-N 457.442 4.431 50 10 JIGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)cc1 38683701 AKTLAVFQOWGDGU-DEOSSOPVSA-N 474.900 4.493 50 10 JIGE COc1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 40814612 UIZKUSBFFQIZNV-ZXVVBBHZSA-N 476.489 4.156 50 10 JIGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\Nc2ccc(I)cc2C)cc1 217100913 ROQWLQRZRWUVJW-QINSGFPZSA-N 475.286 4.234 50 10 JIGE Cc1cccc(C(=O)NCCCCCCI)c1I 235784837 LVDASRVDAIUDIC-UHFFFAOYSA-N 471.120 4.325 50 10 JIGE COc1ccc(C=NNC(=O)c2ccncc2)cc1COc1ccc(I)cc1 252622703 OAXHBDZBEIHUJD-UHFFFAOYSA-N 487.297 4.038 50 10 JIGE CCOc1cc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)cc(Br)c1O 256028646 ZZNLBEJOLFXUFK-UHFFFAOYSA-N 493.408 4.314 50 10 JIGE O=C(N[C@H]1CCC[C@@H](Br)C1)c1cc(I)ccc1Br 694515048 LOSDVHICCOKIRJ-SCZZXKLOSA-N 486.973 4.490 50 10 JIGE O=C(NNC(=O)c1ccc(Br)cc1Cl)N[C@H]1CCCOc2ccc(F)cc21 728955978 IBUANUMNHMZSEN-HNNXBMFYSA-N 456.699 4.100 50 10 JIGE CCOC(=O)COc1ccccc1C=NNC(=O)COc1c(Cl)cc(Cl)cc1Cl 1082990328 JVMDOBVTKHRTMP-UHFFFAOYSA-N 459.713 4.118 50 10 JIGE Cc1ccc(C)c(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)c1 1084216783 DCDNXMFZEJUCGA-UHFFFAOYSA-N 478.936 4.063 50 10 JIGE Cc1cc(OCc2ccc(C(=O)NNC(=O)c3ccc(Cn4ccccc4=O)o3)cc2)ccc1Cl 1087890456 BBFHIMYNUYIKTL-UHFFFAOYSA-N 491.931 4.105 50 10 JIGE COc1ccc(/C(C#N)=C/c2cccc(OC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)c2)cc1OC 1615066913 WWUBGFQHKJCIHG-KGENOOAVSA-N 492.553 4.237 50 10 JIGE Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccccc2[N+](=O)[O-])cc1 1865709879 JHBVAONCRAKLGR-QGZVFWFLSA-N 455.396 4.385 50 10 JIGE O=C(N[C@@H](CSC[C@@H]1C[C@@H]1Br)C(=O)O)OCC1c2ccccc2-c2ccccc21 1877465026 LELIJQGYTGSLAN-MRFFXTKBSA-N 476.392 4.495 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)C1(C)C 1985350951 XYHLAQZZNOCSOR-JKSUJKDBSA-N 463.710 4.422 50 10 JIGE Brc1cc(I)cnc1N1CC[C@H](Br)[C@H]1C1CC1 2015767316 ORBHBPDKKWHMMP-GXSJLCMTSA-N 471.962 4.201 50 10 JIGE O=C(CBr)c1cc(I)c(Cl)cc1I 2060092539 AKISJEYGGCVLHF-UHFFFAOYSA-N 485.284 4.127 50 10 JIGE O=C(CBr)c1ccc(I)c(I)c1Cl 2060094107 LROWWQSMEBFOJL-UHFFFAOYSA-N 485.284 4.127 50 10 JIGE C[C@@H]1CN(S(=O)(=O)c2ccsc2CBr)[C@H](C)[C@@H](C)N1Cc1ccccc1 2123282332 ADBUAJUOEOATCK-BZUAXINKSA-N 457.459 4.315 50 10 JIGE Cc1cccc(C(CBr)(CBr)Cc2c(Br)nnn2C)c1 2145946413 GWRIHOPABTVNJK-UHFFFAOYSA-N 466.015 4.156 50 10 JIGE Cc1cc(CBr)ccc1S(=O)(=O)N(C)[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 2179774989 IYOWSXQQPWUNJO-XLIONFOSSA-N 451.430 4.173 50 10 JIGE CN1CCC(N(Cc2ccccc2)S(=O)(=O)c2ccc(CBr)cc2F)CC1 2179788739 GWSWINGXMLISRK-UHFFFAOYSA-N 455.393 4.006 50 10 JIGE CC(C)(C)OC(=O)N1CC[S@](=O)(=NC(=O)c2ccc(CBr)cc2)C(C)(C)C1 2189325860 XABBUSXXDCEFIY-HHHXNRCGSA-N 459.406 4.219 50 10 JIGE CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)C(=O)NC[C@H]1C[C@@H](Br)C1 2229108897 CHJQKWZSZYPPPS-VNQPRFMTSA-N 490.236 4.175 50 10 JIGE CC1(C)OCCN(C(=O)c2scc(Br)c2Br)[C@H]1CBr 2267737732 DXJSITWXXPWVRU-QMMMGPOBSA-N 476.028 4.288 50 10 JIGE O=C(NC[C@@H]1CCC[C@@H]1CBr)c1ccc(Cl)c(I)c1 2268355800 FRGNLAKPQJBANN-MNOVXSKESA-N 456.549 4.486 50 10 JIGE N#CC(=Cc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1 2329651466 ROMDSBZBBJLPFK-UHFFFAOYSA-N 474.329 4.130 50 10 JIGE COc1cc(C[C@H](Br)c2ccc(Cl)cc2I)ncn1 2340028340 YXQZPOXKGHUISY-NSHDSACASA-N 453.505 4.422 50 10 JIGE COC[C@@]1(CBr)C=CCN1Cc1ccc(I)c(Cl)c1 2351717507 JMGQFQPFNQHRSL-AWEZNQCLSA-N 456.549 4.097 50 10 JIGE CCOC(=O)C1=C(C)NC(SCC(=O)C(C)(C)C)=C(C#N)[C@H]1c1ccc(C(=O)OC)cc1 660112 QZNYVIOCHZLPLI-HXUWFJFHSA-N 456.564 4.081 50 10 JIGE Cc1ccc(-c2csc3ncn(CC(=O)N/N=C/c4ccc(Br)cc4)c(=O)c23)cc1 1784578 QEERLRSROBKIDH-KIBLKLHPSA-N 481.375 4.346 50 10 JIGE O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)CCc1ccccc1Cl 10460299 NCVOZLATRCPLBJ-UHFFFAOYSA-N 488.824 4.461 50 10 JIGE C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=S)NC(=O)c1cc(Cl)cc(Cl)c1 10506160 JGGSRYKBTJQUPD-LBPRGKRZSA-N 462.358 4.250 50 10 JIGE CCCCOc1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2C)cc1Br 14041262 PHPRWEVDWRESHG-UHFFFAOYSA-N 469.763 4.430 50 10 JIGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)c1 38659799 BQSZINOMAUGJNU-HSZRJFAPSA-N 473.441 4.049 50 10 JIGE N#C/C(=C\c1cc(Br)cc(Br)c1O)C(=O)Nc1cccc([N+](=O)[O-])c1 59484826 AMQIOTNKPGEDBF-ONNFQVAWSA-N 467.073 4.371 50 10 JIGE COCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)c1C 96998262 PNNSFWRSTZBXJJ-HKWRFOASSA-N 496.564 4.237 50 10 JIGE CC(C)c1ccc(N(CC(=O)NN=Cc2ccc(C#N)cc2)S(=O)(=O)c2ccccc2)cc1 254905180 SAQUDOPLTQHMJY-UHFFFAOYSA-N 460.559 4.027 50 10 JIGE O=S(=O)(c1cc(Cl)c(Br)s1)N1C[C@@H]2CC[C@@H](Br)C[C@H]2C1 398836271 NFEXMDNHJPFALB-XHNCKOQMSA-N 463.644 4.348 50 10 JIGE O=C(NCC1(CBr)CCOCC1)c1cc(Br)ccc1Br 700910670 HRNFYSZIDVKBOY-UHFFFAOYSA-N 469.999 4.133 50 10 JIGE COc1ccc(C=NNC(=O)c2ccc(NC(=O)c3cccc(Cl)c3)cc2)c(C(=O)O)c1OC 1082753740 FWXAPHSSBIYJQF-UHFFFAOYSA-N 481.892 4.072 50 10 JIGE Cc1nn(-c2ccccc2)c(N2CCCCC2)c1C=NNC(=O)CSc1nc2ccccc2n1C 1083967247 RQTWIPQZFYWPBH-UHFFFAOYSA-N 487.633 4.300 50 10 JIGE Cc1cc(C=NNC(=O)c2ccc(CN3CCOCC3)cc2)c(C)n1-c1ccccc1Cl 1084402869 CTBAZPDIZGRCCW-UHFFFAOYSA-N 450.970 4.344 50 10 JIGE C#Cc1cccc(NC(=S)NNC(=O)c2sc(-c3ccc(OCC)cc3)nc2CC)c1 1633773739 RYRAMCZECCDTJD-UHFFFAOYSA-N 450.589 4.384 50 10 JIGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2cccnc2-c2ccc(Cl)s2)cc1 1676468301 CIKMNCDJZWHZJX-ZDUSSCGKSA-N 458.927 4.286 50 10 JIGE COc1ccccc1OCC(=O)NN=Cc1ccc(OCc2ccccc2Cl)c(OC)c1 1772754547 JTEVQWQVMLTCOO-UHFFFAOYSA-N 454.910 4.465 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Br)cc2)[C@H]1c1ccc(O)cc1O 1865681688 UBFZTGNWRHJQMT-HNNXBMFYSA-N 493.239 4.283 50 10 JIGE Cc1nc(-c2ccc(F)c(F)c2)ccc1C(=O)NNC(=O)c1ccccc1I 1865757018 JQGGLXLZQNGBJF-UHFFFAOYSA-N 493.251 4.015 50 10 JIGE COCC1(COc2c(Br)cc(Br)cc2CBr)COC1 1907655611 FYUJBGXDAVNORU-UHFFFAOYSA-N 458.972 4.148 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CN(C(=O)OC(C)(C)C)CC2(CC2)C1 1985347330 QJXGAMMAKVGLCM-MRXNPFEDSA-N 461.694 4.272 50 10 JIGE O=C(c1csc(Br)c1Br)N1C[C@@H]2[C@H](CBr)C[C@H]2C1 2053982667 KYGDWCGYAQWZMY-BIIVOSGPSA-N 458.013 4.376 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1cccc(F)c1Br 2061268693 YLHAIPOOXGTQNR-UHFFFAOYSA-N 453.399 4.224 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CCC(CBr)CC1 2086148016 VQHBZHHODHMFJX-UHFFFAOYSA-N 486.973 4.301 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@@H](CBr)C2(CC2)C1 2087791621 DOQZDVRMADGDIX-SECBINFHSA-N 498.984 4.301 50 10 JIGE O=C(c1cccc(Br)c1Br)N1C[C@@H]2CC[C@@H](Br)[C@H]2C1 2092335856 RKCFWXXSFJJUOK-INTQDDNPSA-N 451.984 4.457 50 10 JIGE O=C(c1csc(I)c1)N1CCC2(CCC2)[C@H](CBr)C1 2095294986 UKUMFUCBPMZPSI-LLVKDONJSA-N 454.171 4.380 50 10 JIGE CC(C)[C@@H]1[C@@H](Br)CCN1S(=O)(=O)c1cc(Cl)c(Br)s1 2126093401 NIPDMBFVXOKEJX-OIBJUYFYSA-N 451.633 4.347 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CC[C@H](Cl)[C@H]2CC[C@H]21 2133723259 OCLBFTILOTZEPF-JIMOISOXSA-N 454.533 4.286 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CC[C@H](Cl)[C@H]2CC[C@H]21 2142279685 SVTMHANUBGDAAD-SUZMYJTESA-N 454.533 4.286 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@@H](Cl)CC12CCC2 2142281371 PPNAHKFEGZQWMV-JTQLQIEISA-N 454.533 4.430 50 10 JIGE CC[C@@]1(CNS(=O)(=O)c2ccc(CBr)cc2)CCCN1C(=O)OC(C)(C)C 2162591524 LNXFBXSOYSNBBS-IBGZPJMESA-N 461.422 4.040 50 10 JIGE C[C@@H](Br)CN1CCCN(C(=O)c2cc(Br)sc2Br)CC1 2176858493 RMTATROEYXLBIH-SECBINFHSA-N 489.071 4.204 50 10 JIGE O=S(=O)(c1ccc(CBr)s1)N1CC[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 2179812943 QUZYTTUJENJRIZ-ROUUACIJSA-N 469.470 4.176 50 10 JIGE CCc1ccc(CBr)cc1S(=O)(=O)N(CCCN(C)C)Cc1ccccc1 2179861460 HPSMPWFWXOSZKH-UHFFFAOYSA-N 453.446 4.287 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2CCC=C[C@H]2CBr)cc1Br 2182346801 KIXFDVDWMIMRIN-JTQLQIEISA-N 488.039 4.234 50 10 JIGE COc1cc(OC)c([C@@H](Br)c2cnn(C)c2I)cc1Cl 2279137415 OLHMIKRSGUEAAB-GFCCVEGCSA-N 471.520 4.180 50 10 JIGE CCOC(=O)COc1c(Br)cc(C=C(C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)cc1OC 2295195960 CZAWBNDHAUHCLF-KBXCAEBGSA-N 479.371 4.001 50 10 JIGE N#CC(=Cc1c[nH]nc1-c1ccc(Br)cc1)C(=O)Nc1ccc2oc(O)nc2c1 2297444053 NKJNIFWOVYXNFQ-UHFFFAOYSA-N 450.252 4.232 50 10 JIGE O=S(=O)(N[C@H](CCBr)COCc1ccccc1)c1cc(F)ccc1Cl 2320356516 NMOJIJHDRVPCCW-OAHLLOKOSA-N 450.757 4.128 50 10 JIGE COC[C@@](C)(CBr)N(C)Cc1ccc(I)c(Br)c1 2325221361 FWTHLVBMMGZURD-CYBMUJFWSA-N 491.005 4.286 50 10 JIGE CCCCOC(=O)c1ccccc1NC(=O)C(C#N)=CN[C@@H](C)c1ccc(OC)c(OC)c1 2325306860 DCPQUHFDOSPHDH-KRWDZBQOSA-N 451.523 4.357 50 10 JIGE Fc1ccc(Br)cc1CNCC(F)(F)C(F)(F)CI 2336532201 QHDPWAXKWCSBRF-UHFFFAOYSA-N 458.006 4.383 50 10 JIGE CC[C@@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2-c2ccccc2)cc1 10294869 WVICPQNRXAUHET-GOSISDBHSA-N 477.586 4.245 50 10 JIGE Cc1cc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)NCc2ccc3c(c2)OCO3)c(C)n1CCC(C)C 34864298 IMGHDIUNAHQRBZ-JJUBJSHISA-N 465.550 4.035 50 10 JIGE Cc1ccc(C(C)C)c(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)NC[C@@H]2CCCO2)c1 35549776 IDCOLYWKVOFLLK-STIKNRRDSA-N 472.545 4.121 50 10 JIGE Cc1c(C(=O)NC2CCCC2)oc2c1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 40823164 ZENAHHSACUHSMN-IPBVOBEMSA-N 471.373 4.250 50 10 JIGE CC1CCC(NC(=O)[C@@H](c2ccc(F)cc2)N(C[C@@H]2COc3ccccc3O2)C(=O)CCl)CC1 97914705 OCZGVPDDCRDGLW-YCDJHCEESA-N 488.987 4.469 50 10 JIGE O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(N(CCCl)CCCl)cc1 103812932 LAOOXGWJJNCJDQ-PDGQHHTCSA-N 466.752 4.290 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N(C)CC[C@@H](C)Br)cc1Br 135772962 FZMIIAPUDXAVTN-SECBINFHSA-N 478.044 4.314 50 10 JIGE CCc1cccc(OCC(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccccc3)cc2OC)c1 206399719 BPIMJGBLINRNLF-UCQKPKSFSA-N 470.525 4.465 50 10 JIGE CCn1c(C)nc2cc(C(=O)NN=Cc3ccc(OCC(=O)Nc4ccc(C)cc4)c(OC)c3)ccc21 254813569 TYQIURPYKGVNHU-UHFFFAOYSA-N 499.571 4.463 50 10 JIGE COc1cc(-c2nc3ccc(C(=O)NN)cc3[nH]2)cc(Br)c1OCc1ccccc1 256047892 PFLNJXQEQXVTHW-UHFFFAOYSA-N 467.323 4.184 50 10 JIGE O=S(=O)(c1cc(CCl)sc1Br)N1CC[C@H](COCc2ccccc2)C1 383989111 ILWQUSAVTZMKFZ-AWEZNQCLSA-N 464.834 4.477 50 10 JIGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@@H](c2ccc([N+](=O)[O-])c(F)c2)C1 725389791 XYTZTBQINQZSIA-VXGBXAGGSA-N 450.248 4.119 50 10 JIGE O=C(NCc1ccc(COc2ccccc2)cc1)NNC(=O)c1cc(F)ccc1Br 728745501 AYQLXPSETDVOKU-UHFFFAOYSA-N 472.314 4.311 50 10 JIGE CCC(C)(C)C1CCC(NC(=O)/C(C#N)=C/c2cn(CCC(N)=O)nc2-c2ccc(OC)cc2)CC1 920848752 HEWJGWHPOSZJKJ-CAPFRKAQSA-N 491.636 4.452 50 10 JIGE COc1ccccc1NC(=O)C(=O)NN=Cc1cc(C)n(-c2cc(Cl)ccc2Cl)c1C 1084505943 OLDUMBNCIUIBDK-UHFFFAOYSA-N 459.333 4.498 50 10 JIGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2F)[C@@H]1c1ccc(O)c(O)c1 1865680271 FPMPXPMVIAZQTH-JOCHJYFZSA-N 454.461 4.367 50 10 JIGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1cccc(OC)c1O)C(C#N)=C(N)O2 1865684076 MLJNZBUPSUEYFE-FQEVSTJZSA-N 450.926 4.470 50 10 JIGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@H](c2ccncc2)C(C#N)=C(N)O3)cc1 1865702410 VFPJWFQHLZEAOA-JOCHJYFZSA-N 453.477 4.359 50 10 JIGE CCN(c1ncc(I)cc1Br)C(C)(C)CBr 1988532473 HJLILCSXRNNWCH-UHFFFAOYSA-N 461.967 4.449 50 10 JIGE C[C@@H](Br)[C@@H]1CCCN1c1ncc(I)cc1Br 1990071561 UEAKXNAJILUOBQ-XCBNKYQSSA-N 459.951 4.201 50 10 JIGE O=C(CBr)c1cc(OC(F)(F)F)c(I)cc1OC(F)F 2060375880 LUAHQYYTVNAWRJ-UHFFFAOYSA-N 474.945 4.369 50 10 JIGE C[C@]12CN(C(=O)c3cc(I)ccc3Br)C[C@]1(CCl)C2 2109181972 JCDZDYPLUZKAEH-UONOGXRCSA-N 454.533 4.145 50 10 JIGE C[C@H](Br)[C@H]1CCN1S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2125818665 RAEYCMUIOQADHG-QUBYGPBYSA-N 451.995 4.302 50 10 JIGE C[C@]1(CBr)COCCN(C(=O)c2csc(Br)c2Br)C1 2135076139 DTEFVHLIRZRYIT-GFCCVEGCSA-N 476.028 4.147 50 10 JIGE CC[C@]1(NS(=O)(=O)c2cccc(CCl)c2)CCCN(C(=O)OCc2ccccc2)C1 2162588368 FGGZUEJDXMJRAT-QFIPXVFZSA-N 450.988 4.285 50 10 JIGE CC(C)(C)OC(=O)N1CCCN([S@@](C)(=O)=NCC2(CBr)CCCCC2)CC1 2163664890 QYEDFBPGZWYCJA-MHZLTWQESA-N 466.486 4.287 50 10 JIGE C[C@@H](Br)C[C@@H]1COCCN1C(=O)c1cc(Br)cc(Br)c1 2185319801 SJICRXPBWNVCRT-NOZJJQNGSA-N 469.999 4.226 50 10 JIGE CC1(C)OCCO[C@@H]1CO[C@H](CI)c1cccc(Br)c1 2186964908 SWLRZYAMOBEOCN-ZIAGYGMSSA-N 455.130 4.136 50 10 JIGE O=S(=O)(N[C@@H]1CC[C@@H]2C[C@]21CBr)c1cc(Br)ccc1Br 2188622270 DZJCZUCGRODCRZ-WQHBLYJGSA-N 488.039 4.054 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OCc2ccc3c(c2)OCO3)C1 2272070007 VHDRUQJUJLSLSJ-IBGZPJMESA-N 475.323 4.137 50 10 JIGE O=C(NN=Cc1c(F)cccc1Cl)C(=Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 2296826777 QCRVENHDSQUIJI-UHFFFAOYSA-N 466.856 4.309 50 10 JIGE CC(C)[C@H]1C[C@@H](Br)CN1c1ncc(I)cc1Br 2304248436 FOJWAHANWHKVKR-LDYMZIIASA-N 473.978 4.447 50 10 JIGE COc1ccc(-c2csc(C(C#N)=C(O)CNS(=O)(=O)c3ccc(C)cc3)n2)cc1C 2331260193 OKUOAHCLXWRNBP-UHFFFAOYSA-N 455.561 4.207 50 10 JIGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2Br)cc1 14029192 YPBIPHOKRLNWAH-UHFFFAOYSA-N 478.412 4.358 50 10 JIGE COc1cc(/C=N/NC(=O)CCC(=O)Nc2cccc3ccccc23)cc(Br)c1O 20228169 LYMLKVJFOGMBRW-ZMOGYAJESA-N 470.323 4.186 50 10 JIGE COc1ccc(/C(C)=N\NC(=O)c2cccc(S(=O)(=O)Nc3ccc(Cl)cc3)c2)cc1 33623667 LKOPHHCBJKMVLR-IWIPYMOSSA-N 457.939 4.303 50 10 JIGE Cn1c(-c2ccc(C(=O)NNC(=O)COc3ccc(Cl)cc3Cl)s2)nc2ccccc21 35553905 DQHHGWXKQQCFMS-UHFFFAOYSA-N 475.357 4.449 50 10 JIGE O=C(NNc1ncnc(Nc2ccc(Cl)cc2Cl)c1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 40650210 XXOYPLWICKYFLA-UHFFFAOYSA-N 464.225 4.100 50 10 JIGE Cc1c(C(=O)NCc2ccccc2Cl)oc2c1/C(=N/NC(=O)c1ccc(O)cc1)CCC2 40812001 BWLQXYYZDQADQG-ZXVVBBHZSA-N 451.910 4.347 50 10 JIGE O=C(N/N=C1\C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc21)c1cc(F)c(F)cc1Cl 59159453 GJQFEFCGGWNTQF-QOMWVZHYSA-N 470.819 4.207 50 10 JIGE O=C(Cn1cnc2ccccc21)N/N=C1\C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccccc21 59181218 BDJZGQTVCWASHT-FAJYDZGRSA-N 478.339 4.410 50 10 JIGE O=S(=O)(NCC1(CBr)CC1)c1c(Cl)cc(Br)cc1Cl 122695151 WVWURENPLQCWKU-UHFFFAOYSA-N 451.995 4.209 50 10 JIGE Cc1ccccc1[C@@H]1c2ccsc2CCN1CC(=O)N1CCN(C(=O)C(C)(C)CCl)[C@@H](C)C1 169678029 ZMTSHLRFUBMUEQ-YADARESESA-N 488.097 4.328 50 10 JIGE CCOC(=O)[C@@H]1C[C@H](I)[C@H](OCc2ccc(Br)cc2)C1 228877179 APOPLKPSOCYPNW-KWCYVHTRSA-N 453.114 4.111 50 10 JIGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)CNC(=O)c2ccc(F)cc2)cc1 254300971 XFYHMHXEXMTGLH-UHFFFAOYSA-N 499.498 4.087 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2C[C@@H](C)[C@H](CBr)C2)cc1Br 709130614 VPBHQKLXZWASSQ-NXEZZACHSA-N 490.055 4.172 50 10 JIGE N#CCCn1cc(/C=C(/C#N)C(=O)N2CCC[C@H](c3ncc[nH]3)C2)c(-c2ccc(Cl)cc2)n1 727738070 DUODRSMRBHJCID-UZNZLNSGSA-N 459.941 4.153 50 10 JIGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)cc1 1083951466 FNCRIFYITJGOPT-DEOSSOPVSA-N 464.522 4.365 50 10 JIGE CCOC(=O)c1ccc(NC(=O)C(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1 1084564727 MUBZDNKZRULVKE-UHFFFAOYSA-N 466.925 4.013 50 10 JIGE Cc1ccc(CNC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc([N+](=O)[O-])cc2)CCC3)cc1 1772745342 XCYPTCFOCVKERG-UHFFFAOYSA-N 460.490 4.205 50 10 JIGE COc1ccc(-c2csc(/C(C#N)=C(\O)CNS(=O)(=O)c3ccc(C)cc3)n2)cc1C 1872746584 OKUOAHCLXWRNBP-ZZEZOPTASA-N 455.561 4.207 50 10 JIGE C[C@@H]1CC[C@H](CBr)CN1c1ncc(I)cc1Br 2015762530 MEACFQIUBKCCGH-RKDXNWHRSA-N 473.978 4.449 50 10 JIGE O=C(NCC[C@@H](Br)C1CC1)c1cc(Br)ccc1I 2029910452 BRVIUULACVAOIH-LLVKDONJSA-N 486.973 4.347 50 10 JIGE CC1(C)CO[C@@H](CBr)CN1C(=O)c1cc(Br)c(Br)s1 2111234596 SNGPPBRBLWVRLU-ZETCQYMHSA-N 476.028 4.288 50 10 JIGE CCC(CC)(CNC(=O)OC(C)(C)C)N(C)S(=O)(=O)c1ccc(CBr)cc1 2163055311 GCHARRITUBMYKD-UHFFFAOYSA-N 463.438 4.286 50 10 JIGE COc1ccc(S(=O)(=O)N(Cc2ccccc2)CC(F)(F)F)c(CCBr)c1 2179836026 ZUGZFQBHCXHSEU-UHFFFAOYSA-N 466.319 4.386 50 10 JIGE CC1(C)CO[C@H](CO[C@@H](CI)c2ccccc2Br)CO1 2179852049 QZDBEYNSTDRYOX-RISCZKNCSA-N 455.130 4.136 50 10 JIGE O=C(N[C@@]12CC[C@@](CBr)(C1)OC2)c1cc(Br)ccc1Br 2190184472 ZYEJPQVPWPKRAG-KBPBESRZSA-N 467.983 4.028 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1CC[C@H](Br)[C@H]1C1CC1 2268350408 SHKMMOTYPYHMNQ-GXFFZTMASA-N 454.533 4.333 50 10 JIGE COCCN(C[C@H](C)Br)C(=O)c1cccc(Br)c1Br 2272445588 PYSTZCDWOVWIFC-VIFPVBQESA-N 457.988 4.084 50 10 JIGE CCc1ccc(C=C2SC(=S)N(CCCC(=O)NNC(=O)c3ccc(Cl)cc3)C2=O)cc1 2295914222 UTLIFVVZJNEEAP-UHFFFAOYSA-N 488.034 4.345 50 10 JIGE Cc1ccccc1C[C@H]1SC(=C(C#N)C(=O)NCc2ccco2)N(c2ccc(F)cc2)C1=O 2296835092 WUMWXLHEAYFXBL-JOCHJYFZSA-N 461.518 4.470 50 10 JIGE CCN(CC)c1ccc(C=NNC(=O)C(=Cc2ccc(OC)cc2)NC(=O)c2ccccc2)c(O)c1 2297321548 PHPZKYRUWDHDMZ-UHFFFAOYSA-N 486.572 4.168 50 10 JIGE C=CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(OC)c2)C(C)=C(C#N)C1=O 2314616815 KHPLPWPEQRTOAL-UHFFFAOYSA-N 450.498 4.326 50 10 JIGE CC(C)(C)OC(=O)NCCCC[C@](C)(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2325063826 LLWYWYIVNCROOD-NRFANRHFSA-N 495.708 4.020 50 10 JIGE COc1ccc(C)cc1-c1csc(C(C#N)=C(O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)n1 2331324360 OYIQCMRIOQWGEX-UHFFFAOYSA-N 476.470 4.124 50 10 JIGE Cc1sc(C(=O)NN)cc1CSc1cc(I)ccc1Br 2363659409 WSFPANPTAPJZLM-UHFFFAOYSA-N 483.194 4.319 50 10 JIGE O=C(NNC(=S)NC(=O)C(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1Cl 12502682 FWBVGPPJJBIAJM-UHFFFAOYSA-N 458.370 4.461 50 10 JIGE CCCOc1cccc(C(=O)NC(=S)NNC(=O)c2ccccc2OCc2ccccc2)c1 14641666 XULKLNJDASFTIM-UHFFFAOYSA-N 463.559 4.004 50 10 JIGE CCCCOc1ccc(Br)cc1C(=O)NNC(=O)CCC(=O)Nc1ccc(C)c(C)c1 14649816 RUKISFWQILVCFQ-UHFFFAOYSA-N 490.398 4.425 50 10 JIGE O=C(CNc1cccc2ccccc12)N/N=C/c1cc(Br)c(O)c(Br)c1O 27519742 FIMOVDCJOUMBHE-NUGSKGIGSA-N 493.155 4.338 50 10 JIGE CCOC(=O)c1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccccc1O)CCC2 40826521 VALOQHTWWZTKEM-TURZUDJPSA-N 475.501 4.193 50 10 JIGE N#C/C(=C\Nc1ccc(S(=O)(=O)NC(=N)N)cc1)c1nc(-c2ccc3ccccc3c2)cs1 102457353 SRKKTXVAYYWEJR-QGOAFFKASA-N 474.571 4.112 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)NCCCCCBr)cc1Br 229240337 QDNHAPUIUCTNLK-UHFFFAOYSA-N 478.044 4.364 50 10 JIGE COc1ccc(-n2c(SCC(=O)NN=C(C)c3cccc(O)c3)nnc2-c2ccccc2)cc1 254629832 DEMXCBWDUWSGCS-UHFFFAOYSA-N 473.558 4.281 50 10 JIGE CN(C(=O)c1ccc(I)c(Br)c1)[C@H]1CCC[C@H]1Br 709183707 NIDDTZNEHUPCHL-SKDRFNHKSA-N 486.973 4.442 50 10 JIGE Cc1cc(/C=C(/C#N)C(=O)NC2CCN(C(=O)CC(F)(F)F)CC2)c(C)n1-c1ccc(F)cc1 726948012 JMNVBFBIDQUMEH-PDGQHHTCSA-N 476.474 4.200 50 10 JIGE CC(=NNC(=O)/C(=C/C(=O)c1ccccc1)c1nnc(O)c2ccccc12)c1cccc(C)c1 1082540880 SLWUPCSHBHDHJZ-MSTGDDNBSA-N 450.498 4.451 50 10 JIGE COc1cc(C=NNC(=O)CCC(=O)Nc2ccc3ccccc3c2)cc(Br)c1OC 1084115202 NJDVFILTYWODGM-UHFFFAOYSA-N 484.350 4.489 50 10 JIGE O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NN=Cc1cc(Br)ccc1O 1084307309 RRPWTFDYNBYUBS-UHFFFAOYSA-N 478.246 4.324 50 10 JIGE CC(=NNC(=O)CSc1nnc(CCc2ccccc2)n1-c1ccccc1)c1ccccn1 1084549510 BNORRTSVLHMBPF-UHFFFAOYSA-N 456.575 4.080 50 10 JIGE C=CC(C)(C)CCCNC(=O)NNc1ccc(S(=O)(=O)NC2CCCCCCC2)cn1 1313240773 ZVYAGRIEQKXJRR-UHFFFAOYSA-N 451.637 4.091 50 10 JIGE C=CCOc1cccnc1C(=O)NNC(=O)c1ccc(COc2ccc(Cl)c(C)c2)cc1 1624327271 ZJORCVSQUYWREL-UHFFFAOYSA-N 451.910 4.262 50 10 JIGE COc1cc(C=NNC(=O)COc2cc(Cl)ccc2Cl)cc(Br)c1OC 1772754243 QXIBKNMWCNIKDV-UHFFFAOYSA-N 462.127 4.302 50 10 JIGE CCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1cc(Br)c(O)c(OC)c1)C(C#N)=C(N)O2 1865689444 SDCMXOXMCONUIB-IBGZPJMESA-N 497.349 4.138 50 10 JIGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)c(Cl)c2)ccc1O 1865705632 AMTQOJSGVWKYTH-FQEVSTJZSA-N 457.317 4.479 50 10 JIGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1865712298 VCRGGDGWZXHPSL-HSZRJFAPSA-N 493.479 4.437 50 10 JIGE Cc1cc(-c2csc(/C(C#N)=C(\O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)ccc1F 1873920319 CRZIRXOUTNGQLR-JXAWBTAJSA-N 464.434 4.255 50 10 JIGE C[C@H]1CN(c2ncc(I)cc2Br)CC[C@H]1CBr 2015757073 OGMJOPBTVOXORH-IUCAKERBSA-N 473.978 4.306 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CN(Cc2ccccc2)C2(CCOCC2)C1 2061262395 NZJBPUGXOGWRHL-NRFANRHFSA-N 481.728 4.306 50 10 JIGE CCCN1CC[C@@H]([C@@H](Cl)c2cc(Br)sc2Br)S1(=O)=O 2089512601 YYQIDOCHCGBZQM-WPRPVWTQSA-N 451.633 4.367 50 10 JIGE CC(C)(C)OC(=O)NCC[S@](=O)(=NC[C@H](Br)C(F)(F)F)c1ccccc1 2107398524 ZRSDTTNURLEQIY-WHDAMIPWSA-N 459.328 4.364 50 10 JIGE Cc1csc(CBr)c1S(=O)(=O)N(C)[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 2123238986 ZXWFOGWISNIZIX-NVXWUHKLSA-N 457.459 4.235 50 10 JIGE C[C@H]1CN(Cc2ccccc2)[C@H](C)CN1S(=O)(=O)c1ccc(Br)c(CCl)c1 2152184576 MEKZACKQGVIIFV-CVEARBPZSA-N 471.848 4.471 50 10 JIGE CC[C@]1(CNS(=O)(=O)c2ccc(CBr)cc2)CCCN1C(=O)OC(C)(C)C 2162591525 LNXFBXSOYSNBBS-LJQANCHMSA-N 461.422 4.040 50 10 JIGE Cc1csc(CBr)c1S(=O)(=O)N1C[C@H](C)CN(Cc2ccccc2)C[C@@H]1C 2179816500 RTGZUSOLPXBJCK-WBVHZDCISA-N 471.486 4.483 50 10 JIGE FC(F)(F)c1cnc(N2CC[C@@H](Br)[C@H]2C2CC2)c(I)c1 2187173238 PTOYZOLJRJZIEZ-MWLCHTKSSA-N 461.063 4.457 50 10 JIGE O=S(=O)(c1cc(CCl)ccc1Br)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 2188887277 RLLOLQIMWYUMGF-PKOBYXMFSA-N 469.832 4.083 50 10 JIGE O=S1(=O)C[C@@H](Cl)[C@@H](c2sc(Br)c(Br)c2Br)C1 2212201705 ZONFGGPAJNTWIN-IUYQGCFVSA-N 473.433 4.155 50 10 JIGE C[C@H]([C@@H](Br)c1c(F)cc(Br)c(F)c1Br)S(C)(=O)=O 2259998177 AGIDZQAGBFTSCG-SPGJFGJESA-N 470.955 4.359 50 10 JIGE Cc1ccc(S(=O)(=O)C(C#N)=Cc2c(N3CCCCCC3)nc3c(C)cccn3c2=O)cc1 2296301216 OZOYFRHSCJMOIU-UHFFFAOYSA-N 462.575 4.030 50 10 JIGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)COc2cccc(Br)c2)c(OCC)c1 2314735915 JNJIGALHVYPADB-UHFFFAOYSA-N 474.307 4.302 50 10 JIGE O=S(=O)(Cc1ccc(Br)cc1)N[C@@H](CCBr)COCc1ccccc1 2320357235 YDUGZXWSWXNIBO-SFHVURJKSA-N 491.245 4.239 50 10 JIGE CCOC(=O)c1ccc(NC=C(C#N)C(=O)Nc2ccc(I)cc2C)cc1 2325405886 KPOHSOKHUUYJKZ-UHFFFAOYSA-N 475.286 4.234 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@H]2C[C@H](CBr)[C@H]2C1 2330496312 LRGXAEXXFBHVLY-KBVBSXBZSA-N 498.984 4.157 50 10 JIGE N#CC(=C(O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2ccccc2Cl)cs1 2331271271 CMJWCTUUEBTADQ-UHFFFAOYSA-N 466.862 4.461 50 10 JIGE O=C(c1cccc(Br)c1Br)N1CC[C@H]2[C@H](CBr)[C@H]2C1 2333115470 DTHSCHURPMVALE-LSJOCFKGSA-N 451.984 4.315 50 10 JIGE O=C(c1ccc(Br)cc1I)N1[C@H]2CC[C@H](C2)[C@H]1CBr 2333350108 GWESXMOXPIUTRW-DFAYQTQMSA-N 498.984 4.442 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CCN(Cc2ccccc2)C(C)(C)C1 2350355428 VVUAYLCHAJHYET-DEOSSOPVSA-N 497.727 4.380 50 10 JIGE CC(C)c1cc(Br)ccc1OCC(=O)NNC(=O)COc1cccc2ccccc12 9231623 SNLFYQNHFYHTRA-UHFFFAOYSA-N 471.351 4.331 50 10 JIGE O=C(COc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)c1cc(Cl)cc(Cl)c1 10505875 MSUJCXYOVOFWJJ-UHFFFAOYSA-N 467.161 4.015 50 10 JIGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)c2cccc(OCCC)c2)cc1 14641657 VYZLOMQFDZOCMT-UHFFFAOYSA-N 457.596 4.384 50 10 JIGE O=C(CSc1nnc(CCc2ccccc2)n1-c1ccccc1)NNC(=O)c1ccc(Cl)cc1 20922892 VYNVRCSQKJKNCM-UHFFFAOYSA-N 492.004 4.259 50 10 JIGE O=C(CSc1nc2ccccc2o1)N/N=C\c1cc(Br)cc(Br)c1O 32519872 VSDWMBFBUYAFNX-GXHLCREISA-N 485.157 4.301 50 10 JIGE Cc1cc(C)cc(Nc2ncnc(NNC(=O)c3ccccc3Br)c2[N+](=O)[O-])c1 40583050 LLWOIEMZMHCHPS-UHFFFAOYSA-N 457.288 4.265 50 10 JIGE CCc1cccc(OCC(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2OC)c1 40880285 AOZKAUBFPALDDJ-UDWIEESQSA-N 460.486 4.058 50 10 JIGE COc1ccc(C(=O)N/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1OC 59147068 WHRZJVOONCYSES-YDZHTSKRSA-N 466.406 4.076 50 10 JIGE N#C/C(=C/Nc1ccc2cn[nH]c2c1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216503070 SHYSQFXZTMOMLP-CLCOLTQESA-N 462.557 4.316 50 10 JIGE CCn1c(C)nc2cc(C(=O)NN=Cc3ccccc3OCc3ccc(C(=O)OC)cc3)ccc21 252457424 HNYXMQZLNQNRRO-UHFFFAOYSA-N 470.529 4.494 50 10 JIGE CC(CC(C)(C)c1ccccc1)=NNC(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 254302395 IVMATNDKJGOSIA-UHFFFAOYSA-N 469.529 4.331 50 10 JIGE FC(F)(F)Oc1cc(Br)nc(I)c1CBr 396187400 XLXFRRFZAHTSOZ-UHFFFAOYSA-N 460.813 4.242 50 10 JIGE C[C@H]1[C@H](Br)C[C@H]2CC[C@H]1N2S(=O)(=O)c1cc(Cl)c(Br)s1 686174691 GXWBZGFNRVTBNE-OKJYPTKPSA-N 463.644 4.489 50 10 JIGE Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(N(CCCl)CCCl)cc3)C2=O)c(C)c1 1083984696 CPKIUXQMNQWBKC-RGEXLXHISA-N 460.361 4.254 50 10 JIGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OCC)c(OC)c2)cc1 1083988319 FRIDKJFNDYZUOC-LJQANCHMSA-N 479.371 4.219 50 10 JIGE C=CCn1c(CNc2ccccc2)nnc1S[C@H](C)C(=O)NN=CC(Cl)(Cl)Cl 1084372621 DBLBWFLHQYOOTO-GFCCVEGCSA-N 461.806 4.029 50 10 JIGE C=CCc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)ccc1OCC(=O)OC 1084499356 OKAUZLUKGAYVPT-UHFFFAOYSA-N 471.307 4.240 50 10 JIGE O=C(Nc1ccccc1N1CCOCC1)[C@H](Br)Cc1ccccc1Br 1858181689 ZEYUXTCGQLAZLT-MRXNPFEDSA-N 468.189 4.230 50 10 JIGE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(OC)cc1OC)C(C#N)=C(N)O2 1865708486 XWOKQKQGYGIOAA-NRFANRHFSA-N 450.926 4.383 50 10 JIGE CC[C@](C)(NC(=O)C[C@H](c1ccccc1)c1nnc(C)o1)C(=O)Nc1ccc(SC#N)cc1 1867027156 GRVQXOYOSDZNIP-YKSBVNFPSA-N 463.563 4.397 50 10 JIGE CN(C[C@@H]1C[C@@H]1Br)C(=O)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 1897167218 DABPCFHTQDDJGX-YDHSSHFGSA-N 481.431 4.072 50 10 JIGE CCN([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(CCl)ccc1Br 1915019791 OXYBMZODPQVIDX-SFHVURJKSA-N 471.848 4.473 50 10 JIGE C[C@@H](CCCl)N(Cc1ccccc1)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 1915074967 YNKWEWLVHCBMFH-SFHVURJKSA-N 477.026 4.158 50 10 JIGE O=C(N[C@H](CBr)C[C@H]1CCCO1)c1ccc(Br)cc1Br 1926741916 VBVXHNACNFVNEL-WDEREUQCSA-N 469.999 4.274 50 10 JIGE CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)C[C@H](CBr)C2CCC2)C1 1959569208 OKCPVWQZGMTNQF-FQEVSTJZSA-N 467.448 4.282 50 10 JIGE CC(C)(C)OC(=O)Nc1cc(I)cc(C(=O)NC[C@H]2C[C@H]2Br)c1 1991435983 RYXZXEGLNVMIRI-ZWNOBZJWSA-N 495.155 4.151 50 10 JIGE CCOCCCNC(=O)C(C#N)=Cc1cc(C)n(-c2ccc(I)cc2)c1C 2042446088 RHOUBCJUQJWUMI-UHFFFAOYSA-N 477.346 4.149 50 10 JIGE O=C(NCC1CC(CBr)C1)c1ccc(I)c(Br)c1 2049521739 HUOJKXWVRPEPCY-UHFFFAOYSA-N 486.973 4.205 50 10 JIGE O=S(=O)(c1ccc(CBr)cc1Br)N1CC[C@H](OCc2ccccc2)C1 2059313560 ZYAMZMMVGHHPSU-INIZCTEOSA-N 489.229 4.324 50 10 JIGE O=C(c1cc(Br)cc(Br)c1)N1C[C@H]2[C@@H](Br)CC[C@H]2C1 2087936596 KCMRUMHPMRXIEX-CKLFPEKLSA-N 451.984 4.457 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@H]2[C@@H](Cl)CC[C@H]2C1 2087941846 WWHICYXXAHLETP-AXTRIDKLSA-N 454.533 4.143 50 10 JIGE C[C@H]1CN(C(=O)c2cc(Br)c(Br)s2)C[C@H](CCBr)O1 2122789628 LOOOXLWRDVSJNP-YUMQZZPRSA-N 476.028 4.288 50 10 JIGE CC[C@H](C)[C@@H](CI)NS(=O)(=O)c1ccc(Br)cc1Cl 2136492384 MAILDDIYSVURLV-GZMMTYOYSA-N 480.593 4.231 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1CC[C@H](CBr)C(F)(F)C1 2146375568 OVPHXJOMZOFNST-MRVPVSSYSA-N 478.502 4.437 50 10 JIGE CN(C[C@H]1C[C@@H](Br)C1)C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCC(F)(F)CC1 2196914352 MRXOZMSSVBYNBZ-CFVMTHIKSA-N 453.368 4.337 50 10 JIGE C[C@@H]1C[C@@H](Br)[C@@H](C)N(S(=O)(=O)c2cc(Br)ccc2Br)C1 2235876222 LZHUNTDFCHAWEG-KBVBSXBZSA-N 490.055 4.394 50 10 JIGE Clc1cc(CN2C[C@@H]3OCCC[C@@]3(CBr)C2)ccc1I 2238847756 DHWZAIFFVBACHX-LSDHHAIUSA-N 470.576 4.321 50 10 JIGE C=C1CC(CBr)(NC(=O)c2cc(Br)ccc2I)C1 2254190564 JYQGGUFKIKZIGY-UHFFFAOYSA-N 484.957 4.267 50 10 JIGE CCN(CC)S(=O)(=O)C[C@@H](Br)c1cc(F)c(Br)cc1Cl 2282907422 OCTWTFDZJXQMEV-SNVBAGLBSA-N 451.583 4.349 50 10 JIGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)NCc3ccco3)c(Oc3ccc(Cl)cc3)nc12 2296719328 DCMJRDQUVWSIGM-UHFFFAOYSA-N 460.877 4.265 50 10 JIGE C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=S)NC(=O)C=Cc1cccc2ccccc12 2313752870 XMPRXAKNELZYAT-GOSISDBHSA-N 469.566 4.496 50 10 JIGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)C=Cc1ccc(Cl)cc1 2313864540 SWRSAPSOYIGQOP-NSHDSACASA-N 472.781 4.149 50 10 JIGE ClC[C@]12CCCO[C@@H]1CN(Cc1ccc(I)c(Br)c1)C2 2377317101 ONJKLCFAFXOUPE-CABCVRRESA-N 470.576 4.274 50 10 JIGE COCCn1nc(Br)nc1C[C@@H](Br)c1cccc(Br)c1 2382122915 QWFPDXRTPKNGLU-LLVKDONJSA-N 467.987 4.128 50 10 JIGE Cc1ccc(S(=O)(=O)/N=C2/C(C(C)C)=CC(=O)[C@@](C)(Br)[C@H]2Br)cc1 8741532 ZEWCQOWMZMLXLQ-RONZUDFMSA-N 477.218 4.207 50 10 JIGE Cc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(-c3ccccc3)cc2)cc1Br 12572965 CKVZFVFRZHJKPE-UHFFFAOYSA-N 468.376 4.374 50 10 JIGE COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@H](C)Oc3ccccc3F)ccc21 38650035 XFHUFZKJTMSRAJ-OWJWWREXSA-N 460.461 4.425 50 10 JIGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3)ccc2[C@H]1c1ccc([N+](=O)[O-])cc1 38654451 QSPGAKRZJKSWLO-HSZRJFAPSA-N 477.860 4.451 50 10 JIGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)cc1 38676923 SNUMIEFAZHRNRB-RUZDIDTESA-N 471.469 4.360 50 10 JIGE Cc1c(C(=O)NC2CCCC2)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 40811727 IEBMPWLKJTZBPG-KOEQRZSOSA-N 458.356 4.493 50 10 JIGE COC(=O)c1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2ccccc2)CCC3)cc1 40815848 GQDDZVQIAZEKCZ-VFCFBJKWSA-N 459.502 4.026 50 10 JIGE CC(=O)OCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)C1=O 101341114 WCMYKOJRTSVOKG-MHWRWJLKSA-N 459.285 4.409 50 10 JIGE CCc1ccccc1OCC(=O)Oc1ccc(/C=C(/C#N)C(=O)NCc2ccco2)cc1OC 206410194 QLALRKHDDMUSQJ-MOSHPQCFSA-N 460.486 4.058 50 10 JIGE COc1ccc(/C=C/C(=O)Oc2ccc(C=NNC(=O)COc3ccc(C)cc3[N+](=O)[O-])cc2)cc1 254318752 HNRAEUHGBYVBOC-KGDUGKKISA-N 489.484 4.060 50 10 JIGE COc1cccc(COc2ccc(Br)cc2C=NNC(=O)c2cc(O)cc(O)c2)c1 254506398 ZVWUQFSBKBGSGM-UHFFFAOYSA-N 471.307 4.212 50 10 JIGE COc1cccc(NC(=O)C(=O)NN=Cc2c(OC(=O)c3cccc(C)c3)ccc3ccccc23)c1 254866078 YHXMERUCUCIBGC-UHFFFAOYSA-N 481.508 4.465 50 10 JIGE C[C@H]1CN(S(=O)(=O)c2cc(Br)ccc2Br)C[C@@H](C)[C@@H]1Br 688093050 NUMQJVIMJNEGFR-WOFXILAISA-N 490.055 4.252 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N(CCCl)CC(F)(F)F 721506860 FKOSJNJSJSTPAY-UHFFFAOYSA-N 470.454 4.297 50 10 JIGE CC(C)c1ccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)cc1 725447669 XUAVHBTYIOXQBG-UHFFFAOYSA-N 476.508 4.055 50 10 JIGE COc1ccc([C@@H](NC(=O)NNC(=O)CCOc2ccccc2)c2ccccc2)cc1Br 728596439 JRKZZRVWZAAWDJ-QHCPKHFHSA-N 498.377 4.347 50 10 JIGE COc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)cc1 1084427163 SWIGTQMUNUUYPN-DJKKODMXSA-N 459.458 4.045 50 10 JIGE COc1ccc(NCCCC(=O)NN=Cc2cc(Br)cc(Br)c2O)cc1 1084601967 PTLVBWPOOZELBN-UHFFFAOYSA-N 485.176 4.268 50 10 JIGE Cc1ccc(S(=O)(=O)Oc2ccccc2C=NNC(=O)c2cc(F)c(F)cc2Cl)cc1 1084637590 QCHQBIRALMDUAM-UHFFFAOYSA-N 464.877 4.458 50 10 JIGE COc1cc(NC(=O)[C@@H](Br)Cc2ccccc2Br)cc(OC)c1OC 1858181511 VCHLZXSWEZQWFL-AWEZNQCLSA-N 473.161 4.420 50 10 JIGE CC(C)Oc1cccc(/C=N/NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1 1860773568 AOTGXELYIYESOF-ORUBOYBNSA-N 452.580 4.081 50 10 JIGE COc1cc(C(=O)NC/C(O)=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)cc(OC)c1OC 1872749379 OSTISSVUGDTVLP-ZPHPHTNESA-N 465.531 4.367 50 10 JIGE COc1cc(/C=N/NC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)ccc1OCc1ccccc1 1873795116 SAOVVFXUSKJSMR-NTRYICDMSA-N 487.622 4.371 50 10 JIGE CC(C)(C)OC(=O)N1CCC(CI)(OC[C@@](C)(F)C(F)(F)F)CC1 2017070404 RMGSCGLEXRLNSN-CYBMUJFWSA-N 469.257 4.498 50 10 JIGE CCOC(=O)Cc1c(I)cc(C(F)(F)F)cc1CBr 2055267318 CTPZXADCXLNCCP-UHFFFAOYSA-N 451.020 4.311 50 10 JIGE CN(C(=O)c1cc(Br)ccc1I)C1(CCBr)CC1 2069688159 MDBZSNKQBAVEOE-UHFFFAOYSA-N 486.973 4.443 50 10 JIGE C[C@@]1(CCBr)CCN1C(=O)c1cc(I)ccc1Br 2084700158 NWBXYMRICYHDFI-CYBMUJFWSA-N 486.973 4.443 50 10 JIGE O=S(=O)(c1c(CBr)sc2ccccc12)N(Cc1ccccc1)C1COC1 2123248020 UEWIJIYLXIDMPC-UHFFFAOYSA-N 452.395 4.386 50 10 JIGE O=C(c1cccc(F)c1I)N1C[C@H]2CCC[C@@]2(CBr)C1 2159403918 FPQXKPDGMOHKAH-MEBBXXQBSA-N 452.105 4.068 50 10 JIGE CC[C@@]1(CBr)COCCN1C(=O)c1cc(Br)ccc1Br 2169035089 XXKQFVARVADJDT-CQSZACIVSA-N 469.999 4.228 50 10 JIGE ClC1CCC2(CC1)CN(c1ncc(I)cc1Br)CCO2 2190051332 OFYVDGREUNIHJM-UHFFFAOYSA-N 471.564 4.206 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N[C@@H](CCBr)C1CC1 2277913601 ACLXCWNHSDOSQX-ZDUSSCGKSA-N 454.000 4.434 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@H]2C[C@H](Br)[C@H]1C2 2277917991 LFLIVJVYLJOJQJ-TVYUQYBPSA-N 451.984 4.138 50 10 JIGE N#CC(=Cc1ccc2c(c1)OCO2)C(=O)OCC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 2297348604 HQWBLHWEGDKQAJ-UHFFFAOYSA-N 488.883 4.389 50 10 JIGE O=C(c1cc(Br)sc1Br)N1C[C@H]2C[C@H](CBr)[C@H]2C1 2309712832 GGZGATPPSHTRHH-ZXFLCMHBSA-N 458.013 4.376 50 10 JIGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)c(OC)c1 2314736662 RKSJQXQXDZZTJT-UHFFFAOYSA-N 496.475 4.185 50 10 JIGE COc1ccc(C(C#N)=Cc2ccc(OC(=O)CCN3C(=O)c4ccccc4C3=O)c(OC)c2)cc1 2320506359 HYMYQLNDPAHXOO-UHFFFAOYSA-N 482.492 4.360 50 10 JIGE C[C@H]1CN(Cc2cc(I)ccc2Cl)C[C@H](CCBr)O1 2352427759 LRDMUPPEYJMTFG-GWCFXTLKSA-N 458.565 4.319 50 10 JIGE O=S(=O)(N[C@H]1C[C@@H]2C[C@H]1C[C@@H]2Br)c1cc(Br)ccc1Br 2355712606 GPVPYQCBDULWQJ-OSTYVCCYSA-N 488.039 4.052 50 10 JIGE CC[C@@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1 10295726 XNBKETLXXNQPMS-QGZVFWFLSA-N 496.633 4.332 50 10 JIGE N#C/C(C(=O)COC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)=C1/Nc2ccccc2S1 12546659 UBWPZOZERNBYBA-LTGZKZEYSA-N 497.579 4.228 50 10 JIGE CC[C@H]1CCc2sc(C(=O)NNC(=O)c3ccc(C)c(NC(=O)c4ccco4)c3)cc2C1 12756562 NMAPFFJLGKPDDR-HNNXBMFYSA-N 451.548 4.492 50 10 JIGE O=C(CCCC(=O)OCCCc1ccccc1)NNC(=O)COc1ccc(-c2ccccc2)cc1 14016930 BPCIGPNEDIBPFW-UHFFFAOYSA-N 474.557 4.226 50 10 JIGE Cc1ccc(NC(=O)CCC(=O)NNC(=O)c2cc(Br)ccc2OCC(C)C)cc1C 14666973 ZVZVMKQBXWUOJO-UHFFFAOYSA-N 490.398 4.281 50 10 JIGE O=C(/C=C/c1ccc(Cl)cc1)NC(=S)NNC(=O)c1ccc(OCc2ccccc2)cc1 14834041 BYQIKDRZOBMIQZ-OVCLIPMQSA-N 465.962 4.268 50 10 JIGE N#C/C(=C/c1ccc(OC(=O)c2cc3ccccc3oc2=O)cc1)c1nnc2n1CCCCC2 34896147 BLKPEMICGOTFJG-RGEXLXHISA-N 452.470 4.394 50 10 JIGE CCOc1cc(/C=N\NC(=O)CCc2ccccc2)ccc1OC(=O)c1ccc(OC)c(OC)c1 34983674 HPBTYCOKCSENBV-VEILYXNESA-N 476.529 4.405 50 10 JIGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1 58893083 KQSKHMGIKZYMPP-QEMKNDADSA-N 467.478 4.226 50 10 JIGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)N/N=C(\C)c1ccc(N)cc1 59260856 HMHDXDQEFUXYJS-WJGWSCHNSA-N 484.029 4.333 50 10 JIGE CC1(C)CN(C(=O)c2cc(Br)c(Br)s2)C[C@@H](CBr)O1 164295311 RYPBQZKNJGBCCM-SSDOTTSWSA-N 476.028 4.288 50 10 JIGE COc1ccc(C=NNC(=O)c2ccc(C)cc2)cc1Cn1nc(C)c(Br)c1C 252621192 MUZNTWCYCYLGEO-UHFFFAOYSA-N 455.356 4.392 50 10 JIGE O=C(COc1cccc2cccnc12)NN=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 254735357 YHAXVEAGWUSFGA-UHFFFAOYSA-N 487.428 4.373 50 10 JIGE O=C(NN=Cc1cccc2ccccc12)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254752059 KASIQVPMXWNASO-AQOUVZSTSA-N 463.493 4.490 50 10 JIGE CC(C)(C)[Si](OC[C@@H]1[C@H](O[C@@H]2CCCCO2)C[C@@H]2OC(=O)C[C@@H]21)(c1ccccc1)c1ccccc1 255983320 KKUBBAJCNWPXGW-BZTMQRDQSA-N 494.704 4.426 50 10 JIGE C[C@H]1[C@H](C)N(S(=O)(=O)c2cc(CCl)oc2Br)C[C@@H](C)N1Cc1ccccc1 404272734 JOKGSJBJWLRDKO-ILXRZTDVSA-N 475.836 4.453 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N(C)[C@@H]2CCC[C@@H]2Br)cc1Br 709125987 KFMDKICQCFXLEN-JOYOIKCWSA-N 490.055 4.457 50 10 JIGE N#CCCn1cc(/C=C(/C#N)C(=O)NCc2ccc(-n3ccnc3)c(F)c2)c(-c2ccccc2)n1 745867638 BFWPUIJPIUFYLR-STZFKDTASA-N 465.492 4.012 50 10 JIGE COc1ccc(NC(=O)C(=O)NN=Cc2cc(Br)ccc2Nc2ccc(OC)cc2)cc1 1084462091 RHKZFSIVTJZQGW-UHFFFAOYSA-N 497.349 4.299 50 10 JIGE C/C(=C/c1cccc(Cl)c1)C(=O)NNc1nc2ccccc2c(=O)n1CCCOC(C)C 1444076045 FCVRJZFMZQLRLD-VKAVYKQESA-N 454.958 4.412 50 10 JIGE C#CCOc1ccc(CNC(=O)NNC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1 1470253063 GAFVBBWDPYAIJD-UHFFFAOYSA-N 450.498 4.058 50 10 JIGE C=CCOc1cc(OC)ccc1C(=O)NNc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1 1641122057 LPELTQXBDVHPGZ-UHFFFAOYSA-N 452.532 4.158 50 10 JIGE Cc1c(C(=O)Nc2ccc(Br)cc2)oc2c1C(=NNC(=O)c1cccnc1)CCC2 1772745525 DHUIOOAVSLQBAU-UHFFFAOYSA-N 467.323 4.468 50 10 JIGE COC(=O)C1CCN(C(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc4ccccc24)CCC3)CC1 1772747819 KWRSAUUSQXKESB-UHFFFAOYSA-N 487.556 4.237 50 10 JIGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2)cc(Br)c1O 1865688015 GLXTVUBQSGDXME-HXUWFJFHSA-N 481.350 4.325 50 10 JIGE CCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3C)cc1OC 1865692999 QOFVLAHYPVGKSN-GOSISDBHSA-N 461.360 4.287 50 10 JIGE C[C@H](NC(=O)C[C@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)Nc1ccc(SC#N)cc1 1866720023 IMNUVKPEYUAUNK-YWZLYKJASA-N 451.548 4.058 50 10 JIGE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1cccc(OC(=O)c2ccco2)c1 1873794838 CPRPBOKHSOEMHD-XLKFHUSGSA-N 477.517 4.085 50 10 JIGE ClCc1c(Cl)ncn1-c1cc(I)cc(I)c1 1982520579 QKPLJKLUVLUSQJ-UHFFFAOYSA-N 478.886 4.474 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCN(C(=O)OC(C)(C)C)CC12CC2 1986933465 OVMCNOQPHVOIEX-MRXNPFEDSA-N 461.694 4.272 50 10 JIGE CC[C@@H]1CN(c2ncc(I)cc2Br)C[C@H]1Br 1988533458 VVTOGURUHUKGTQ-GMSGAONNSA-N 459.951 4.058 50 10 JIGE CC(C)(C)OC(=O)N1CC(N(OCc2ccccc2)S(=O)(=O)c2ccccc2CCl)C1 2006997699 DOQNWAUJZVCRAE-UHFFFAOYSA-N 466.987 4.167 50 10 JIGE CN1CCC[C@@H]([C@H](Br)c2csc(Br)c2Br)S1(=O)=O 2032953866 RRLSOVABFWVQCS-JGVFFNPUSA-N 482.057 4.133 50 10 JIGE O=C(N[C@@H]1C[C@H](CCl)[C@@H]2C[C@@H]12)c1cc(I)ccc1Br 2110548205 GAHBHSRKYLPKFS-ISCDUZKHSA-N 454.533 4.047 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCNCc1cc(Br)c2c(c1)OCO2 2125291701 CQUDIMVTDJCHDD-UHFFFAOYSA-N 465.435 4.174 50 10 JIGE CN(C(=O)c1cc(I)ccc1F)C1(CBr)CC(C)(C)C1 2169660656 BALLABGAJRIODB-UHFFFAOYSA-N 454.121 4.456 50 10 JIGE CN(C(=O)c1cc(I)ccc1F)C1(CBr)CCSCC1 2171188501 RSXBUZHYQFAYDZ-UHFFFAOYSA-N 472.161 4.163 50 10 JIGE C[C@H]1C[C@@H](N(C)S(=O)(=O)c2cc(CBr)ccc2F)CN1Cc1ccccc1 2179790748 ILQRQNVKCFHCLJ-MAUKXSAKSA-N 455.393 4.004 50 10 JIGE O=S(=O)(c1cc(CBr)cs1)N1CCC[C@H]1[C@H]1CCN(Cc2ccccc2)C1 2179818698 CMUMNSRLFBXDOY-OALUTQOASA-N 469.470 4.318 50 10 JIGE C[C@@H](Br)[C@H](NS(=O)(=O)c1c(Cl)cccc1Br)C(F)(F)F 2195317908 JMFXIMVPKULAMD-ANLVUFKYSA-N 459.509 4.095 50 10 JIGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CC[C@@H](C(F)(F)CBr)C1 2197758993 JBDNXJUBDGVMGV-ZCFIWIBFSA-N 473.586 4.205 50 10 JIGE COc1ccc([C@H](Br)c2c(Cl)c(C)nn2C)cc1I 2269533782 IAIVCDKVGNWXMB-NSHDSACASA-N 455.521 4.479 50 10 JIGE N#CC(C(N)=O)=C1S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(Br)cc1 2293039101 CIOOGNNGWLECNH-MRXNPFEDSA-N 462.756 4.014 50 10 JIGE Cc1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)S(=O)(=O)c2ccc(C)cc2)cc1 2296719389 LBCGCLNTOPRYTK-UHFFFAOYSA-N 457.511 4.442 50 10 JIGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)C(=O)NCc1ccco1 2314522774 YAPVFDANURGXMM-UHFFFAOYSA-N 452.470 4.127 50 10 JIGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4cccc(Cl)c4)c(=O)c32)c1OC 2217277 HTKBRZYGUYHCHJ-OAQYLSRUSA-N 463.921 4.094 50 10 JIGE O=C1Nc2ccc(Br)cc2/C1=N\NC(=O)c1ccc(OCc2ccccc2)cc1 14027791 ARZABUQXCODKRI-UHFFFAOYSA-N 450.292 4.114 50 10 JIGE CC(C)CCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(-c2ccccc2)cc1 14034478 JAXYVMGHGCMFAZ-UHFFFAOYSA-N 491.613 4.493 50 10 JIGE CCCOc1ccc(C(=O)NNC(=O)c2ccccc2Br)cc1Br 14647388 HGQDUPYAGRBKOG-UHFFFAOYSA-N 456.134 4.075 50 10 JIGE CCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1cccc2ccccc12 14652758 VMHRLKRJMJWRPQ-UHFFFAOYSA-N 457.324 4.231 50 10 JIGE CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)/C(C#N)=C\c2ccc(OCC)c(OC)c2)c(OCC)c1 33378289 RLPWWUGCNNWXLY-FDYZEBBJSA-N 490.512 4.475 50 10 JIGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(OC)cc4)ccc32)c1 38684899 WARMKKZPUAVCMG-SANMLTNESA-N 472.497 4.296 50 10 JIGE Cc1ccccc1SCC(=O)N/N=C1/C(=O)N(Cc2cccc([N+](=O)[O-])c2)c2ccccc21 59148843 DIYAAJACQQVPGB-WNAAXNPUSA-N 460.515 4.063 50 10 JIGE CCCc1cc(C(=O)OC)c(NC(=O)/C(C#N)=C\c2ccc(OC(=O)CC)c(OC)c2)s1 96504406 FXRQJBDAEHDXFB-GDNBJRDFSA-N 456.520 4.357 50 10 JIGE COCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)CCCOc2ccc(C(C)(C)C)cc2)cc1 207143605 WFZODNZNKLNCEQ-UZYVYHOESA-N 464.562 4.418 50 10 JIGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)/C=C\c1ccc(C(C)C)cc1 207180529 RSVHXFJPPHGPCU-JXMPKZNQSA-N 460.530 4.203 50 10 JIGE COc1cc(Br)c(C=NNC(=O)c2cc(Br)ccc2OC)cc1OC 252589703 ANBRQVZZUJROON-UHFFFAOYSA-N 472.133 4.001 50 10 JIGE Cc1cccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3cccc4ccccc34)cc2)c1 254557529 FJNNPAJYPVNHEU-UHFFFAOYSA-N 451.482 4.456 50 10 JIGE O=C(Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NN=Cc1ccc(-c2cccc(C(=O)O)c2)o1 254818738 FTVVZIFESLEGNM-UHFFFAOYSA-N 461.352 4.265 50 10 JIGE Cc1c(Br)cc(CCl)cc1S(=O)(=O)N1C[C@H]2C[C@H]1CN2Cc1ccccc1 383636407 KDSSPTCHRIIABX-MSOLQXFVSA-N 469.832 4.144 50 10 JIGE CC[C@@H](Br)[C@H](C)NC(=O)c1cc(I)ccc1Br 386803056 QKCONLPODMRTLW-OIBJUYFYSA-N 474.962 4.346 50 10 JIGE C#CCOc1ccc(C=NNC(=O)COc2ccc(Cl)cc2Cl)cc1Br 1084126548 PKHVLNSYMGFBBG-UHFFFAOYSA-N 456.123 4.297 50 10 JIGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)NN=Cc1ccc(C)cc1 1084386974 RNROGUKMDMCSKO-UHFFFAOYSA-N 454.987 4.280 50 10 JIGE Cc1noc(C)c1C(=O)NCC(=NNC(=O)Nc1ccc(OC(F)(F)F)cc1)c1cccc(F)c1 1088722935 OFVWLGCQZQOGLA-UHFFFAOYSA-N 493.417 4.285 50 10 JIGE CC(=O)c1cc(C(=O)NNC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)c(C)nc1C 1351536829 JWUXBKBMFLKECV-UHFFFAOYSA-N 451.910 4.208 50 10 JIGE CC(=O)N(c1ccc(NC(=O)NNC(=O)[C@H](C)Oc2c(C)cc(Cl)cc2C)cc1)C1CC1 1476686280 LTFCZYVPGXIDDS-HNNXBMFYSA-N 458.946 4.092 50 10 JIGE C=CCn1cc(CNC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)nn1 1536910445 VTUMPGSJNFPLJE-VCHYOVAHSA-N 454.456 4.114 50 10 JIGE CCc1ccccc1NC(=O)COc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1F 1858680678 HKGLCYWCAMTFFQ-UHFFFAOYSA-N 454.414 4.320 50 10 JIGE C[C@H]1CC[C@](CBr)(NS(=O)(=O)c2cc(Cl)c(Br)s2)C1 1880884503 CFYBDHSDYXPSSO-CPCISQLKSA-N 451.633 4.396 50 10 JIGE C[C@@H](Br)CCc1cn(-c2ccc(I)cc2Br)nn1 2068990138 AVMCKJHGNZFSAN-MRVPVSSYSA-N 484.961 4.350 50 10 JIGE COCCN1C[C@@H](Br)[C@@H](Cc2c(Br)cccc2Br)C1 2100730971 NWHDRJZAXPTWIF-IINYFYTJSA-N 456.016 4.096 50 10 JIGE CN(Cc1ccccc1)CC1CCN(S(=O)(=O)c2cc(CBr)cs2)CC1 2123231122 ABAUYXAVNIOGIP-UHFFFAOYSA-N 457.459 4.176 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@@H]2CC(Br)C[C@H]2C1 2142278636 GCJZUUZTTAWQSF-IUCAKERBSA-N 498.984 4.299 50 10 JIGE CN1CCC(N(Cc2ccccc2)S(=O)(=O)c2ccc(CCl)c(Br)c2)CC1 2152212757 FWELOYQAESJSFZ-UHFFFAOYSA-N 471.848 4.473 50 10 JIGE C[C@H](NS(=O)(=O)c1cc(Br)ccc1Br)[C@@H]1CCC[C@H]1Br 2167851654 HAVNSIXFMUFDMP-INTQDDNPSA-N 490.055 4.442 50 10 JIGE CCCN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)[C@@H]1CC[C@@H](CBr)C1 2179825288 FTFLTWCZJKNSEX-TZIWHRDSSA-N 457.478 4.256 50 10 JIGE CC(C)n1cc(S(=O)(=O)N(CCCN(C)C)Cc2ccccc2)cc1CBr 2179857956 HDJQCRJINYYPGO-UHFFFAOYSA-N 456.450 4.107 50 10 JIGE Cc1sc(C)c(S(=O)(=O)N[C@H]([C@@H](C)Br)C(F)(F)F)c1Br 2195324034 UXYKDFCEPDLCQQ-ALFREKQPSA-N 459.147 4.120 50 10 JIGE C[C@H]1CN(C(=O)c2ccc(Cl)c(I)c2)C[C@@]1(C)CBr 2268346127 PEXFIJFGQUSUOJ-LKFCYVNXSA-N 456.549 4.438 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N1CCS[C@H](CBr)C1 2277935350 OMVMDVHGKDVZIW-GFCCVEGCSA-N 472.040 4.093 50 10 JIGE N#CC(=CNc1ccc(S(=O)(=O)NC(N)=O)cc1)c1nc(-c2ccc3ccccc3c2)cs1 2296038067 HKLUVINKKHEMJE-UHFFFAOYSA-N 475.555 4.297 50 10 JIGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C)C(=O)C(C#N)=C2C)cc1Cl 2314617657 ONZVNIMSOYLDBY-UHFFFAOYSA-N 458.905 4.423 50 10 JIGE COc1cc(C=CC(=O)Oc2ccc(C=C(C#N)C(N)=O)cc2OC)ccc1OCc1ccccc1 2314738174 KSLKFWPFFDNNCM-UHFFFAOYSA-N 484.508 4.294 50 10 JIGE Cc1ccn2c(C(=O)NN=C3C(=O)N(Cc4ccccc4Cl)c4ccccc43)c(C)nc2c1 2326846223 YTJCCAUVRPVFCE-UHFFFAOYSA-N 457.921 4.285 50 10 JIGE CC[C@]1(C)[C@H](Br)CCN1S(=O)(=O)c1cc(Cl)c(Br)s1 2336754246 SIORMRJYPJOXRX-LDYMZIIASA-N 451.633 4.491 50 10 JIGE CCOC(=O)c1sc(NC(=O)CCCS(=O)(=O)c2ccc(OC)cc2)c(SC#N)c1C 9913713 RRULJOCDEKRMEG-UHFFFAOYSA-N 482.605 4.008 50 10 JIGE CC(C)c1ccc(O[C@@H](C)C(=O)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)cc1 14040243 NDQVZZYDUGIISK-AWEZNQCLSA-N 466.365 4.450 50 10 JIGE Cc1ccc(OCC(=O)NNC(=O)c2ccccc2OCCOc2ccccc2)c(Br)c1 14040581 GEYKILMECXNXKF-UHFFFAOYSA-N 499.361 4.055 50 10 JIGE CC(C)COc1ccc(Br)cc1C(=O)NNC(=O)c1ccccc1Br 14667026 JKFRRYBBWJLDLF-UHFFFAOYSA-N 470.161 4.321 50 10 JIGE CC[C@@H](Nc1ccc(Br)cc1)C(=O)N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O 27498333 YIAZCNGXHWLGLI-UMXKZIAQSA-N 455.696 4.057 50 10 JIGE O=C(NNc1ncnc(NC23CC4CC(CC(C4)C2)C3)c1[N+](=O)[O-])c1ccccc1Br 40621652 KABJXHQXFJKRKN-UHFFFAOYSA-N 487.358 4.285 50 10 JIGE CCCOc1ccc(/C=N/NC(=O)Nc2sc(C(C)=O)c(C)c2C(=O)OCC)cc1OC 40847021 XEQLSQFSKOEPHS-FSJBWODESA-N 461.540 4.389 50 10 JIGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCC#N 58891988 KOZSOHUMIZBPLM-FXONECCMSA-N 456.340 4.044 50 10 JIGE CCCCc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCCN3CCOCC3)c(OC)c2)cc1 96438587 OEUHQMDWRFBVSI-NKFKGCMQSA-N 463.578 4.294 50 10 JIGE CCOCCCN(C(=O)CCl)[C@@H](C(=O)NC1CCCCC1)c1ccc(OCC)c(OC)c1 97914640 XQVRYCZRCTYWLB-HSZRJFAPSA-N 469.022 4.078 50 10 JIGE COCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)C1=O 101335561 DJRDSCVZIJGFGG-HZHRSRAPSA-N 497.511 4.076 50 10 JIGE CC(C)(C)[Si](OC[C@@H]1[C@H](O[C@@H]2CCCCO2)C[C@H]2OC(=O)C[C@@H]21)(c1ccccc1)c1ccccc1 196138803 KKUBBAJCNWPXGW-TUDBGTMHSA-N 494.704 4.426 50 10 JIGE C[C@@H]1CCN(C(=O)c2cc(Br)ccc2I)C[C@@H]1Br 235332394 HYVVUEZTDJKGLS-KCJUWKMLSA-N 486.973 4.299 50 10 JIGE COc1ccc(-c2nnc(SCC(=O)NN=C(C)c3cccc(O)c3)n2-c2ccccc2)cc1 254523817 VVASGYJZKYTZBF-UHFFFAOYSA-N 473.558 4.281 50 10 JIGE O=C(CN1C(=O)C(=NNC(=O)c2ccc(-c3ccccc3)cc2)c2ccccc21)Nc1ccccc1 254715030 OKLGLPBGJKBZMO-UHFFFAOYSA-N 474.520 4.473 50 10 JIGE COc1cc(C=NNC(=O)c2cc(-c3ccc(OCc4ccc(C)cc4)cc3)n[nH]2)ccc1O 254758859 MXKHWKWHRNKOMT-UHFFFAOYSA-N 456.502 4.442 50 10 JIGE CCN(CC)c1ccc(C=NNC(=O)CSc2nnc(-c3ccc(OC)cc3)n2CC)cc1 254850373 YBCOVZUBCIPSTO-UHFFFAOYSA-N 466.611 4.062 50 10 JIGE C[C@H]1C[C@H](CBr)CN(C(=O)c2cc(Cl)ccc2I)C1 398796033 LFISWNITIQBSBZ-VHSXEESVSA-N 456.549 4.438 50 10 JIGE C[C@H]1CCCN(C(=O)c2cccc(F)c2I)[C@H]1CCBr 721698228 OTLLUYIAZHGGFH-GWCFXTLKSA-N 454.121 4.456 50 10 JIGE C[C@@H](NC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1)c1ccc(N2CCOCC2)cc1 920886300 GRWSAYUXNPGZSC-AXVPLRHPSA-N 480.572 4.085 50 10 JIGE COc1ccc(CSCC(=O)NN=C(C)c2cccc(I)c2)cc1 1084014077 IINJSGZANVXHGI-UHFFFAOYSA-N 454.333 4.073 50 10 JIGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)cc1OC 1865707233 RKWYUWUZBFOTLV-SFHVURJKSA-N 474.414 4.325 50 10 JIGE CSCC[C@@H](NC(=O)[C@H]1CCCN1Cc1ccccc1F)C(=O)Nc1ccc(SC#N)cc1 1866921060 XATLQKWRXXJXQJ-FGZHOGPDSA-N 486.638 4.240 50 10 JIGE C[C@H](NC(=O)c1cc(C2CC2)n2nc(C(C)(C)C)cc2n1)C(=O)Nc1ccc(SC#N)cc1 1867181569 KJTSLIRVGVJSLX-AWEZNQCLSA-N 462.579 4.234 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@@H]2CC[C@]2(CCl)C1 1903930077 CXNYBKFHWPURGJ-XPTSAGLGSA-N 454.533 4.145 50 10 JIGE Cc1nc(I)c(I)n1-c1cccc(F)c1CCl 1941553268 POZGKYWWVWCJDT-UHFFFAOYSA-N 476.458 4.268 50 10 JIGE O=C(N[C@@H](CBr)CC1CC1)c1ccc(I)c(Br)c1 2029976797 GJDZSLRIVKDMBR-SNVBAGLBSA-N 486.973 4.347 50 10 JIGE N#CC(=C1N[C@@](c2ccccc2)(C(F)(F)F)[C@H](C(=O)c2ccc3c(c2)OCO3)O1)c1ccccn1 2059835869 BCAPTEXZKPYRAM-LADGPHEKSA-N 479.414 4.332 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@H](Cl)[C@H](C2CC2)C1 2090672851 BUFOYVDLLJOPCC-AAEUAGOBSA-N 454.533 4.143 50 10 JIGE Cc1ccc(S(=O)(=O)N(Cc2ccccc2)C2CCN(C)CC2)cc1CBr 2179785615 OPVUNWUAHIGTFL-UHFFFAOYSA-N 451.430 4.175 50 10 JIGE C[C@H]1CN(Cc2ccccc2)CCCN1S(=O)(=O)c1ccc(CBr)cc1F 2179789919 XLJZSCKMGVOPED-INIZCTEOSA-N 455.393 4.006 50 10 JIGE Cc1cc(S(=O)(=O)N(C)C[C@@H]2CCCN(Cc3ccccc3)C2)sc1CBr 2179826973 ZKPWNXQZSDKYRR-SFHVURJKSA-N 471.486 4.484 50 10 JIGE CCc1ccc(CBr)cc1S(=O)(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 2179861758 MBMSYIICTSBYDG-FQEVSTJZSA-N 451.430 4.039 50 10 JIGE Cc1ccc(C(=O)NC[C@@H](Br)CC(F)(F)F)cc1I 2224630804 UUSOMBAQBHSCCZ-VIFPVBQESA-N 450.036 4.045 50 10 JIGE C[C@H]1[C@H](Br)C[C@@H](C)CN1S(=O)(=O)c1cc(Cl)c(Br)s1 2227597157 DHJWWUOLYGJXJK-GJMOJQLCSA-N 451.633 4.347 50 10 JIGE O=C(NC[C@@H]1CC[C@H](CBr)CO1)c1cc(Br)cc(Br)c1 2279411220 UUXYAGKRYKOWTK-RNCFNFMXSA-N 469.999 4.132 50 10 JIGE N#CC(=Cc1ccccc1)C(=O)Oc1ccc2cc(C(=O)NCc3ccccc3)c(=O)oc2c1 2314748727 RJJSGDSOEMOOMS-UHFFFAOYSA-N 450.450 4.236 50 10 JIGE CO[C@H]1C[C@H](Br)CN(Cc2ccc(I)c(Br)c2)C1 2325225065 BUAUYZRTFYVVOM-QWRGUYRKSA-N 488.989 4.038 50 10 JIGE O=C(c1cccc(Br)c1Br)N1C[C@H]2C[C@@H](CBr)[C@H]2C1 2330495752 LZAOPXNGTNQNGI-IQJOONFLSA-N 451.984 4.315 50 10 JIGE CN(Cc1c(Br)c(Br)nn1C)C[C@@H](CBr)C(C)(C)C 2338954612 WGANZJPBAHGCJV-SECBINFHSA-N 460.052 4.434 50 10 JIGE CC(C)(C)OC(=O)N1CCCN([S@@](C)(=O)=NC[C@](C)(CBr)C(C)(C)C)CC1 2380204626 AXLYGJLNZMFMLC-PPHZAIPVSA-N 468.502 4.389 50 10 JIGE COc1ccc(NC(=O)/C(C#N)=C\c2cn(CC(=O)NCc3ccco3)c3ccccc23)cc1 33344878 SCZMMJLUKMTCQE-AQTBWJFISA-N 454.486 4.105 50 10 JIGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc([N+](=O)[O-])cc2)cc1 38654959 VBKLKZZNTDPQAU-VWLOTQADSA-N 471.469 4.360 50 10 JIGE COc1cc([C@@H]2C(C#N)=C(N)N3C(=S)N(c4ccccc4)C(=O)[C@H]23)ccc1OCc1ccccc1 39793524 LHYDBEOANXEHOK-RPWUZVMVSA-N 482.565 4.068 50 10 JIGE COc1cc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(N)=O)cc2OC)ccc1OCCC(C)C 207167580 MCGWOXICRXSDSB-FGOQMPGLSA-N 464.518 4.140 50 10 JIGE N#C/C(=C/NCCc1ccccc1Br)C(=O)N1CCC(Cc2ccccc2)CC1 216891791 URWUCSZHBARMRM-PYCFMQQDSA-N 452.396 4.470 50 10 JIGE C[C@H]1CCN(C(=O)c2cc(Br)ccc2I)C[C@@H]1Br 235615748 HYVVUEZTDJKGLS-KWQFWETISA-N 486.973 4.299 50 10 JIGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3cccc4ccccc34)cc2OC)cc1 254377967 MOQRSSGJRGMKAZ-UHFFFAOYSA-N 497.507 4.165 50 10 JIGE COc1cc(C=NNC(=O)Cc2ccc(Br)c3ccccc23)cc(OC)c1OC 254479974 PKXUYHSSEBADAG-UHFFFAOYSA-N 457.324 4.321 50 10 JIGE Cc1cc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)ccc1O 383420496 OKZBRXCKNWNNEY-ROUUACIJSA-N 451.304 4.488 50 10 JIGE COc1cc(Cl)c(S(=O)(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)cc1Cl 729837098 PZTAEJIBAQYQOQ-UHFFFAOYSA-N 499.347 4.343 50 10 JIGE O=C(NNC(=O)c1cccc2cccnc12)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 731361528 MMYKMCPRJIKZMQ-UHFFFAOYSA-N 472.376 4.150 50 10 JIGE O=C(CCCSc1nnc(CCc2ccccc2)n1-c1ccccc1)NN=Cc1cccnc1 1084161444 IDSJOKDNGVECDD-UHFFFAOYSA-N 470.602 4.470 50 10 JIGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(OCC)c(OC)cc2Br)cc1 1084295563 ZYQKXYYHUORQLJ-IBGZPJMESA-N 479.371 4.219 50 10 JIGE C=CCc1cc(CNC(=O)NNC(=O)Nc2ccc(Cl)cc2Cl)cc(OC)c1OC 1667711135 JBVBSNGSBDQZMZ-UHFFFAOYSA-N 453.326 4.275 50 10 JIGE CC[C@@](C)(NC(=O)c1ccc2c(c1)C(=O)N(CCC(C)C)C2=O)C(=O)Nc1ccc(SC#N)cc1 1866620226 XFOVFUVQIMRSNW-AREMUKBSSA-N 492.601 4.439 50 10 JIGE COCCCN1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4cccc([N+](=O)[O-])c4)cs3)cc2C1=O 1873940839 JYIDYVZCPNMFGS-VZCXRCSSSA-N 490.497 4.301 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCNC[C@@H]1CC(F)(F)CN1C(=O)OC(C)(C)C 1991944302 LXKGAFRSQCIIIU-AWEZNQCLSA-N 471.636 4.127 50 10 JIGE O=C(CCl)c1c(I)ccc(I)c1C(F)F 2060381015 XKUCMTLOCWHEKU-UHFFFAOYSA-N 456.395 4.255 50 10 JIGE O=C(NC[C@]1(F)C[C@@H](CBr)C1)c1cc(Br)cc(Br)c1 2112235676 LLKVFBLMZXEOGJ-KTLJEJPDSA-N 457.963 4.455 50 10 JIGE CC[C@]1(CBr)COCCN1C(=O)c1scc(Br)c1Br 2112719437 BHABPNFHICODED-LBPRGKRZSA-N 476.028 4.289 50 10 JIGE C[C@H](Br)C[C@H]1CCCCN1C(=O)Cc1ccccc1I 2143869351 YBIXEKPKOXJFGO-GXTWGEPZSA-N 450.158 4.388 50 10 JIGE CCS[C@@H]1CCCN(S(=O)(=O)c2cc(CBr)sc2Br)C1 2179774200 CUPFHDAYTIEWKK-SECBINFHSA-N 463.282 4.312 50 10 JIGE Cc1cc(S(=O)(=O)N2C[C@@H](C)N(Cc3ccccc3)C[C@H]2C)ccc1CBr 2179785795 QTXHNYSYGIREII-QZTJIDSGSA-N 451.430 4.173 50 10 JIGE CN([C@@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)Cc1ccc(CBr)cc1 2179787395 NZHYKSWOUYELNN-OAQYLSRUSA-N 451.430 4.008 50 10 JIGE CCCN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)CCC(F)(F)CBr 2179953432 ZXZYCHCNDJVXHX-UHFFFAOYSA-N 467.420 4.113 50 10 JIGE C[C@H](CCBr)N(Cc1ccccc1)S(=O)(=O)Cc1ncsc1Br 2210632839 KRSTUJQXQKIRHF-GFCCVEGCSA-N 482.263 4.411 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1C[C@@H](Br)[C@@H](C2CC2)C1 2268349320 XDVIETPWWZWXHC-GHMZBOCLSA-N 454.533 4.190 50 10 JIGE O=C(c1c(F)cccc1I)N1CC2(CC[C@@H]1CBr)CC2 2282791734 JEKLIHIXPQXMNX-SNVBAGLBSA-N 452.105 4.210 50 10 JIGE Cc1cc(Br)cnc1C(=O)N[C@H](CCBr)COCc1ccccc1 2303537154 DWILBLFADQEIBA-MRXNPFEDSA-N 456.178 4.253 50 10 JIGE C[C@@H]1[C@H](Br)CCN(c2ncc(I)cc2Br)[C@@H]1C 2304181184 FYHUENDSSNDESO-QXFUBDJGSA-N 473.978 4.447 50 10 JIGE CCOc1cc(C=NNC(=O)c2ccc3nc(Cc4ccc(OC)cc4)[nH]c3c2)ccc1OC 2323720558 JJEJAFMORWRYSN-UHFFFAOYSA-N 458.518 4.334 50 10 JIGE O=C(N[C@H]1C[C@@H](CBr)[C@H]2C[C@H]12)c1cc(Br)ccc1Br 2329870096 LOKCHAMTCPROQZ-DTITTZBUSA-N 451.984 4.361 50 10 JIGE COCCO[C@@H]1[C@@H](Br)C[C@H]1OCc1cc(I)ccc1Cl 2380342380 GOBFKBQRPSHYHK-IACUBPJLSA-N 475.548 4.029 50 10 JIGE O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1cc2c(cc1Br)OCO2 3150207 FSQHZUKUTWYLAX-WYMPLXKRSA-N 453.292 4.374 50 10 JIGE CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2C)C1=O 38603154 NSUPNFNVRDBHJK-OEAKJJBVSA-N 452.514 4.469 50 10 JIGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3)ccc2[C@@H]1c1cccc([N+](=O)[O-])c1 38653475 JWOPPRBDPOTNAC-QHCPKHFHSA-N 477.860 4.451 50 10 JIGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)c1 38684529 CZRIUXYCBDIEBV-AREMUKBSSA-N 499.479 4.362 50 10 JIGE CCc1ccccc1OCC(=O)Oc1ccc(/C=C(\C#N)C(=O)NCc2ccccc2)cc1OC 40870095 PSVQQOSJACRAFZ-HZHRSRAPSA-N 470.525 4.465 50 10 JIGE O=C(COc1ccc(-c2ccccc2)cc1Br)N/N=C/c1ccc2c(c1)OCO2 40911277 FPKRVUWMHNFHKL-WYMPLXKRSA-N 453.292 4.374 50 10 JIGE COc1cc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc([N+](=O)[O-])c1O 40924718 LHXNDJKQNXLABD-ODCIPOBUSA-N 478.939 4.328 50 10 JIGE CCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2)cc1OC 40927305 OTDFHZHPGCSANL-JFMUQQRKSA-N 497.507 4.423 50 10 JIGE C[C@H](SCc1ccccc1)C(=O)N/N=C1/C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 59152401 FPGMYPMNVBPLCP-XKLROMNWSA-N 474.542 4.284 50 10 JIGE COc1cc(C[C@@H](Br)c2ccc(I)c(Cl)c2)ncn1 232386660 ZTOZILIIJINRAN-SNVBAGLBSA-N 453.505 4.422 50 10 JIGE O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)NN=Cc1cccc(O)c1 254757292 JILHOSFABVCHAE-UHFFFAOYSA-N 490.610 4.274 50 10 JIGE CC[C@](C)(CBr)NC(=O)c1ccc(I)c(Br)c1 721595131 TWZVYQJOKYNWPS-GFCCVEGCSA-N 474.962 4.347 50 10 JIGE COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(F)cc2)c1C 786604626 AAHVXFYYOGGPKO-WQRHYEAKSA-N 492.463 4.239 50 10 JIGE COc1ccc([C@@H]2[C@@H](C(=O)N3CC=C(C#N)CC3)CCC(=O)N2c2ccc(C)cc2)cc1OC 1466140857 GZMMFNKSTYGQKC-BKMJKUGQSA-N 459.546 4.179 50 10 JIGE CCOC(=O)c1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccccc1OC)CCC2 1772746095 PEQKFRHDUCVDSX-UHFFFAOYSA-N 489.528 4.496 50 10 JIGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N(Cc1ccccc1)C1(CCl)CCC1 1978676134 JBKVLUXJTRBPOD-QHCPKHFHSA-N 493.000 4.004 50 10 JIGE CN(c1ncc(I)cc1Br)C(C)(C)CCBr 1988533577 XSQVIIYKJYGFGR-UHFFFAOYSA-N 461.967 4.449 50 10 JIGE O=C(Nc1cc(I)ccc1Br)[C@H]1C[C@H](Br)C1 1991421931 QJCUHZUCTPCCJN-LJGSYFOKSA-N 458.919 4.166 50 10 JIGE C[C@@H]1C[C@H](CBr)CN1C(=O)c1cc(I)ccc1Br 2038890738 NOKXKZZWIUAFEY-RKDXNWHRSA-N 486.973 4.299 50 10 JIGE Cc1cc(-n2nc(CBr)c(I)c2C(F)(F)F)ncc1F 2078928961 HLUSZRKHRDPATB-UHFFFAOYSA-N 463.998 4.233 50 10 JIGE Cc1cc(NNC(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2ccc(Cl)cc2)nc(=N)[nH]1 2080474020 SYXGTJOQGUOOSF-UHFFFAOYSA-N 484.951 4.068 50 10 JIGE CN(C)C[C@H]1C[C@@H](Br)CN1Cc1cc(Br)ccc1Br 2122380447 KIVXDDZSQVLPJC-CHWSQXEVSA-N 455.032 4.111 50 10 JIGE O=S(=O)(c1cc(CBr)ccc1Br)N1CC=C(Br)CC1 2123267170 DHZUYYVFEFJLAG-UHFFFAOYSA-N 474.012 4.017 50 10 JIGE C[C@@H]1CCN(Cc2ccccc2)CCN1S(=O)(=O)c1ccc(CCl)c(Br)c1 2153290272 SHTBRLXGAYMBDE-MRXNPFEDSA-N 471.848 4.473 50 10 JIGE O=S(=O)(c1cc(CBr)n(C2CC2)c1)N(Cc1ccccc1)C[C@H]1CCCO1 2179857933 GTYINALQGKIMAA-LJQANCHMSA-N 453.402 4.088 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1CC[C@@H](Br)[C@@H]1C1CC1 2187153271 HSPNFAHQICAYRJ-YPMHNXCESA-N 488.039 4.148 50 10 JIGE COc1cc(Br)c([C@H](Cl)c2cnn(C)c2I)cc1C 2227735997 VHNSEERMJOUEAQ-LBPRGKRZSA-N 455.521 4.432 50 10 JIGE O=S1(=O)CCC[C@@H]([C@H](Br)Cc2cc(Br)cc(Br)c2)C1 2277963365 UBPNZIUTXLMLPF-ZWNOBZJWSA-N 475.040 4.342 50 10 JIGE COc1ccc([C@@H](Br)c2ccsc2S(C)(=O)=O)cc1I 2284997143 DYICAWKWCFPSAU-GFCCVEGCSA-N 487.178 4.249 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CC(C)(C)[C@H]1OCc1ccccc1 2325069591 FPXYJKSSBIIAJX-JPYJTQIMSA-N 484.684 4.321 50 10 JIGE COc1ccc(Cl)cc1-c1csc(C(C#N)=C(O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)n1 2331411759 KREVIJAXRWBBAX-UHFFFAOYSA-N 496.888 4.469 50 10 JIGE COC[C@]1(CBr)C=CCN1Cc1cccc(Br)c1Br 2351719014 SXTIISXKOOZATF-CQSZACIVSA-N 454.000 4.364 50 10 JIGE COc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OC)cc2OC)c1 38656760 CFSHWCFDPCTEFT-XMMPIXPASA-N 458.470 4.150 50 10 JIGE COC(=O)c1ccccc1N(C)C(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccccc1F)CCC2 40812315 VUECCVFRFXVTND-TURZUDJPSA-N 477.492 4.261 50 10 JIGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1cccc(C)c1 40929166 CPPDMNZAVAXOPU-DEDYPNTBSA-N 460.486 4.195 50 10 JIGE Cc1cc(Br)cc(Br)c1OCC(=O)Oc1ccc([N+](=O)[O-])cc1C=O 100131413 DTEHJMPBCQTLHC-UHFFFAOYSA-N 473.073 4.225 50 10 JIGE CC1=C(C#N)C(=O)N(CCc2c[nH]c3ccccc23)C(=O)/C1=C/Nc1ccc2c(C)cc(=O)oc2c1 102676168 SPVUXZGDOBQDNR-HZHRSRAPSA-N 478.508 4.330 50 10 JIGE Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccccc1 110584645 XJPJMDUFXZIKCT-FSSWDIPSSA-N 488.613 4.353 50 10 JIGE COc1ccc(-c2cc(C(=O)NN=C/C(Br)=C\c3ccccc3)[nH]n2)c(OC)c1 254756698 BAIBEYYIOPWVNQ-YPNQQGRMSA-N 455.312 4.246 50 10 JIGE Cc1ccc(COc2ccc(Br)cc2C=NNC(=O)CSc2nnc(N)s2)cc1 256028242 ALDJSBDJTJXYQR-UHFFFAOYSA-N 492.424 4.013 50 10 JIGE CC(C)(C)c1ccc(COc2ccc(C=NNC(=O)CSc3nnc(N)s3)cc2)cc1 256028412 KMKMZUQZRIBZNC-UHFFFAOYSA-N 455.609 4.239 50 10 JIGE COCCO[C@@H]1[C@H](Br)C[C@H]1Oc1ccc(Br)cc1Br 300481250 VHFTXWHJSHHONO-RAIGVLPGSA-N 458.972 4.158 50 10 JIGE CC[C@@H](Br)[C@H](C)NC(=O)c1cc(Br)ccc1I 395384807 TWAQKNHWWRRNAH-OIBJUYFYSA-N 474.962 4.346 50 10 JIGE CN(C[C@@H]1CCCCN1Cc1ccccc1)S(=O)(=O)c1cc(CCl)oc1Br 720076510 DYQQJEMFYCTVFU-INIZCTEOSA-N 475.836 4.456 50 10 JIGE COc1ccc(OC)c2c1CN(C(=O)/C(C#N)=C\c1cc(C)n(-c3ccc(F)cc3)c1C)C[C@H]2O 843453262 HAQPIEKPOGAKJM-JDDNKDTNSA-N 475.520 4.233 50 10 JIGE COc1ccc(Br)cc1C=NNC(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 1082753741 GBYMUJNCIMYQQA-UHFFFAOYSA-N 497.305 4.382 50 10 JIGE O=C(COc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1F)Nc1ccc(Cl)cc1 1858681517 RFSJRSLCUKXESE-UHFFFAOYSA-N 460.805 4.411 50 10 JIGE CCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1cc(OC)c(OC)c(OC)c1)C(C#N)=C(N)O2 1865692134 JIBWKQUUJXHNAJ-QFIPXVFZSA-N 460.534 4.046 50 10 JIGE COc1ccc(-c2nn(CC(C)C)c3c2[C@@H](c2cccc(OC)c2OC)C(C#N)=C(N)O3)cc1 1865700974 IRQCFHHYRPOXFA-NRFANRHFSA-N 460.534 4.450 50 10 JIGE CCC[C@H](NC(=O)[C@@H]1CCCN1Cc1ccccc1F)C(=O)Nc1ccc(SC#N)cc1 1866917353 GPCLZFJFOVJZPI-VXKWHMMOSA-N 454.571 4.287 50 10 JIGE C[C@H](Br)[C@H]1CCCN1S(=O)(=O)c1cc(Br)ccc1Br 1879181221 GUZWRFGUDYUWPC-GZMMTYOYSA-N 476.028 4.148 50 10 JIGE CN(CC1CC(Br)C1)[C@H](CN)c1cc(Br)ccc1Br 1887892990 LQYDFNONLOHSHJ-PFMWSLTASA-N 455.032 4.317 50 10 JIGE O=C(CBr)c1ccc(I)c(C(F)(F)F)c1OC(F)F 2060378302 PUCGUMDEGSKKSR-UHFFFAOYSA-N 458.946 4.489 50 10 JIGE CC[C@H](C)[C@@H](CI)NS(=O)(=O)c1cc(Cl)c(Br)s1 2081252846 BGVFHLFXHQBEJF-POYBYMJQSA-N 486.622 4.292 50 10 JIGE CS(=O)(=O)c1csc([C@H](Br)c2cccc(F)c2I)c1 2093082070 ORVJYWHLENVZEJ-LLVKDONJSA-N 475.142 4.380 50 10 JIGE C[C@@H]1CN(C(=O)c2cc(Cl)ccc2I)CC[C@H]1CBr 2109030074 CJDUCVNGLLJMRL-ZJUUUORDSA-N 456.549 4.438 50 10 JIGE CC[C@@H](CSC)N(C)S(=O)(=O)c1cc(CBr)sc1Br 2123199989 ATTZWPYVNVFRNW-QMMMGPOBSA-N 451.271 4.168 50 10 JIGE O=S(=O)(c1cc(CBr)cc(F)c1F)N(Cc1ccccc1)C[C@@H]1CCCO1 2179860480 SAOMAGQOOYEQPH-INIZCTEOSA-N 460.340 4.230 50 10 JIGE O=S(=O)(N[C@H]1C[C@@H]([C@@H](F)CBr)C1)c1cc(Br)ccc1Br 2199123629 FBZNTJFZUNGGSW-NMLBEHRDSA-N 494.018 4.002 50 10 JIGE CC(C)(C)OC(=O)N1CCC12CCS(=O)(=NCCCCCI)CC2 2214711356 JWKUFQBTGLHPLF-UHFFFAOYSA-N 470.417 4.233 50 10 JIGE CNC(=O)C(C#N)=C1S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1cccc(OC)c1 2296507213 YOULTQWZHRRETC-GOSISDBHSA-N 462.358 4.174 50 10 JIGE BrC[C@@H]1[C@@H]2C[C@H]2CN1Cc1ccc(I)c(Br)c1 2306217383 PEMJBRACIQDOSF-OPQQBVKSSA-N 470.974 4.269 50 10 JIGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(C)cc2Br)c(OC)c1 2314728813 LQDMMYLNLBIBKD-UHFFFAOYSA-N 474.307 4.221 50 10 JIGE CCOc1ccc(C=C(C#N)C(=O)Oc2ccc3cc(C(=O)NCC(C)C)c(=O)oc3c2)cc1OC 2314751119 QWEPUHURFNCLNV-UHFFFAOYSA-N 490.512 4.099 50 10 JIGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)C(C#N)=Cc2ccc(OCC)c(OC)c2)cc1 2314777824 WSLQXLONMBOZPF-UHFFFAOYSA-N 473.529 4.430 50 10 JIGE CCOc1ccc(C=NNC(=O)c2cccn(Cc3ccccc3Cl)c2=O)c(OCC)c1 2318417794 GKHCAQVKFUBKMM-UHFFFAOYSA-N 453.926 4.111 50 10 JIGE CCCC(=O)Nc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2c(C)cc(Br)cc2C)cc1 14643182 COXQWXCMHWUYJR-OAHLLOKOSA-N 476.371 4.033 50 10 JIGE COc1cc(/C=N\NC(=O)c2ccccc2N)ccc1OCc1ccc(Br)cc1 34869931 SOWPIKYABMPNGF-MXAYSNPKSA-N 454.324 4.383 50 10 JIGE Cc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)cc1 38649176 CTFYVFOCIIIEGN-XMMPIXPASA-N 457.442 4.106 50 10 JIGE Cc1ccc(Oc2ncnc(NNC(=O)COc3ccc(Cl)cc3Cl)c2[N+](=O)[O-])cc1 40659540 YYSPUCUHINUUCQ-UHFFFAOYSA-N 464.265 4.314 50 10 JIGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NNS(=O)(=O)c2ccc(Cl)cc2)cc1 40844458 HKXIZYDSWMVZFD-UHFFFAOYSA-N 453.004 4.442 50 10 JIGE COc1cc(/C=N/NC(=O)c2cc(Cl)ccc2O)ccc1OCc1ccc(C(=O)O)cc1 59153187 KWCWBAGPDOSRGI-BRJLIKDPSA-N 454.866 4.095 50 10 JIGE Nc1c(NNC(=O)c2ccc(Cl)cc2Cl)ncnc1NNC(=O)c1cccc2ccccc12 101569748 GTSYSCPGUIFZIN-UHFFFAOYSA-N 482.331 4.033 50 10 JIGE O=C(COc1ccccc1-c1ccccc1)NNC(=O)c1cc2ccccc2nc1N1CCCC1 110758050 RAWVMRJSPGAIJH-UHFFFAOYSA-N 466.541 4.342 50 10 JIGE CCOc1cc(/C=N\NC(=O)c2cccn(CC)c2=O)ccc1OCc1cccc(Cl)c1 169918339 JBADCZJYUVWFLW-YSMPRRRNSA-N 453.926 4.263 50 10 JIGE CCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)NC(C)C)cc2OC)cc1OC 206504076 YTGNYCBEJVHSIS-DSHLQMHJSA-N 464.518 4.153 50 10 JIGE CCC[C@H](Br)CNC(=O)c1cc(Br)ccc1I 233326215 LWMGKRXCRNXKOU-VIFPVBQESA-N 474.962 4.347 50 10 JIGE C[C@@H](CCBr)CNC(=O)c1cc(Br)ccc1I 235086192 ZLMNCSXDKWEEQV-QMMMGPOBSA-N 474.962 4.205 50 10 JIGE Cc1[nH]c2ccc([N+](=O)[O-])cc2c1C=NNC(=O)/C(=C\c1ccccc1)NC(=O)c1ccccc1 252594009 BOLIPIKBXAOGGX-IVKJGQSTSA-N 467.485 4.306 50 10 JIGE CN1C[C@@H](CI)[C@H](c2cc(Cl)ccc2I)C1 382719474 MOSXGIPHHIGXCT-LDYMZIIASA-N 461.512 4.025 50 10 JIGE C[C@H]1C[C@@H](Br)CN(C(=O)c2cc(Br)ccc2I)C1 401938234 GBHNWAIZKKUYNH-WCBMZHEXSA-N 486.973 4.299 50 10 JIGE Cc1cc(/C=C(\C#N)C(=O)NCc2ccc(OCc3ccccn3)cc2)c(C)n1C[C@H]1CCCO1 917755827 IBFRVMZNRORXKN-JYXZFHPPSA-N 470.573 4.481 50 10 JIGE CCCCN(CCCC)CCOC(=O)c1ccc(NC(=S)NNC(=O)c2ccccc2)cc1 1088688120 NFQVBGBBINFSOH-UHFFFAOYSA-N 470.639 4.377 50 10 JIGE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1 1608458797 DZJKSXCRURZSMY-UTKZUKDTSA-N 455.555 4.004 50 10 JIGE CC(C)(C)OC(=O)N1C[C@H](c2ccc(F)c([N+](=O)[O-])c2)[C@@H](CI)C1 1614697156 ZRCCILOZNVZVTL-NWDGAFQWSA-N 450.248 4.119 50 10 JIGE C#C[C@H](NC(=O)NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)C1CCOCC1 1687123818 LXOOTWDSXGNUDX-NRFANRHFSA-N 457.983 4.005 50 10 JIGE CCc1nn(-c2ccccc2Cl)c2c1[C@H](c1cc(OC)c(O)c(OC)c1)C(C#N)=C(N)O2 1865714987 SFZSQFSWORIMPX-LJQANCHMSA-N 452.898 4.029 50 10 JIGE Cc1ccc(OCc2nc(CC(=O)N[C@@H](C)C(=O)Nc3ccc(SC#N)cc3)cs2)cc1 1866582997 HTFCLDWWHIRMKJ-INIZCTEOSA-N 466.588 4.290 50 10 JIGE CC[C@@](C)(NC(=O)C[C@H](c1ccccc1)c1nnc(C)o1)C(=O)Nc1ccc(SC#N)cc1 1867027153 GRVQXOYOSDZNIP-HYBUGGRVSA-N 463.563 4.397 50 10 JIGE CN(CC1CC(Br)C1)S(=O)(=O)c1ccc(Br)cc1Br 1887913054 XHZCDOBYRVMROH-UHFFFAOYSA-N 476.028 4.006 50 10 JIGE C[C@]1(CCl)CN(c2cc(Br)c(I)c(Br)c2)C1=O 1946527800 DUEJZCFRMHNOQG-NSHDSACASA-N 493.364 4.408 50 10 JIGE CC(C)(C)OC(=O)Nc1cc(I)cc(C(=O)NC[C@H]2C[C@@H]2Br)c1 1991435982 RYXZXEGLNVMIRI-MFKMUULPSA-N 495.155 4.151 50 10 JIGE O=C(N[C@H]1CC[C@@H](CBr)C1)c1cc(Br)ccc1I 2029539131 YWXORFFYEFFTHY-SCZZXKLOSA-N 486.973 4.347 50 10 JIGE COCCN1C[C@@H](Br)[C@H](Cc2c(Br)cccc2Br)C1 2100730972 NWHDRJZAXPTWIF-QMTHXVAHSA-N 456.016 4.096 50 10 JIGE C[C@@]12CN(C(=O)c3cccc(Br)c3Br)C[C@]1(CBr)C2 2109182077 JTBRJPUFKKOYDV-ZIAGYGMSSA-N 451.984 4.459 50 10 JIGE CN(C(=O)c1ccccc1I)[C@@H](CCBr)C(F)(F)F 2122002471 SELFRCAWQMHBCW-JTQLQIEISA-N 450.036 4.079 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CC[C@]12C[C@@H](CBr)C2 2125797853 BXISABGUXOATLP-KMHCFJFGSA-N 498.984 4.443 50 10 JIGE CCN1CCC[C@H]([C@H](Br)c2cccc(Br)c2Br)S1(=O)=O 2148762638 XRCQCOWDEGOCCP-DGCLKSJQSA-N 490.055 4.462 50 10 JIGE Cc1sc(C)c(S(=O)(=O)N[C@@](C)(CBr)C(F)(F)F)c1Br 2161376656 QRPVKWXDHOMDKW-VIFPVBQESA-N 459.147 4.122 50 10 JIGE C[C@@H]1[C@H](C(F)(F)F)N(C(=O)[C@H](Br)C2CCCC2)CCN1C(=O)OC(C)(C)C 2172604133 LYSQSJFZCROSCV-MRVWCRGKSA-N 457.331 4.339 50 10 JIGE O=C(N[C@@H]1C[C@H]2CC[C@H]1[C@@H](Br)C2)c1cc(I)ccc1F 2204566577 ZTJWAUHFSCYUSN-VWBVRBGYSA-N 452.105 4.112 50 10 JIGE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](C(F)(F)F)CCN1CCCCI 2248248741 PZMHQDCJVIJPHQ-STQMWFEESA-N 464.310 4.369 50 10 JIGE COc1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(F)cc3)nc3ccccn3c2=O)cc1 2296718491 LSNODSSDOWQLJW-UHFFFAOYSA-N 456.433 4.180 50 10 JIGE CC(=Cc1ccccc1)C=C(NC(=O)c1ccccc1)C(=O)NN=Cc1ccc2c(c1)OCO2 2297455764 QXQXBDNAEQKYTE-UHFFFAOYSA-N 453.498 4.283 50 10 JIGE Cc1nc(Br)c(C(=O)N(Cc2ccccc2)[C@H](CBr)C2CC2)n1C 2300290077 GCHNNMMZZFCRLX-OAHLLOKOSA-N 455.194 4.307 50 10 JIGE CC(C)(CI)CN=[S@@]1(=O)CC[C@@]2(CCCN2C(=O)OC(C)(C)C)C1 2306815973 OCPAGFZGANSXKO-BXKMTCNYSA-N 470.417 4.089 50 10 JIGE COc1ccc2c(c1)c(C=NNC(=O)c1ccc(-c3ccc(OC)c(OC)c3)nc1C)cn2C 2321248561 AKSOBNFMNGJCNP-UHFFFAOYSA-N 458.518 4.338 50 10 JIGE COc1cc(C=NNC(=O)c2cc(-c3ccccc3)nc(O)n2)ccc1OCc1ccccc1 2323692322 NMGZBLLOXAXSBF-UHFFFAOYSA-N 454.486 4.201 50 10 JIGE COC(=O)c1c(NC(=O)c2ccc3c(c2)C(=O)N(C(C)(C)C)C3=O)sc(C(C)=CC#N)c1C 2331557638 UTKNJUUKAPPKAN-UHFFFAOYSA-N 465.531 4.417 50 10 JIGE COC[C@@]1(CBr)C=CCN1C(=O)c1scc(Br)c1Br 2351732449 SZRIDDNDAGWSBA-LBPRGKRZSA-N 474.012 4.065 50 10 JIGE ClC[C@H](Cc1ccc(Br)cc1)Cc1ncc(I)cn1 2353297166 PPMORHYOJJCOCH-LLVKDONJSA-N 451.533 4.484 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1[C@H]2CC[C@H]1[C@H](F)[C@@H](Br)C2 2365584116 KTIGAYZOGLYJHG-SKZLGDCLSA-N 472.523 4.423 50 10 JIGE CC(C)c1ccc(OCC(=O)N/N=C2/C(=O)Nc3ccc(Br)cc32)c(Br)c1 12580182 SYRTYJACHJVBAK-UHFFFAOYSA-N 495.171 4.186 50 10 JIGE Cc1cc(Cl)cc(C)c1O[C@H](C)C(=O)NNC(=O)c1cccc(OCc2cscn2)c1 16203453 GGJZGYMWMZJNIL-OAHLLOKOSA-N 459.955 4.221 50 10 JIGE COc1ccc(/C(C#N)=C\c2cccc(OC(=O)[C@@H](C)N3C(=O)c4ccccc4C3=O)c2)cc1OC 31902951 QIYFZTKZPUGFFK-VJOZSWGJSA-N 482.492 4.358 50 10 JIGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)c1 38684862 NVHLRTNHYAFGRG-VWLOTQADSA-N 487.468 4.196 50 10 JIGE O=C(NNc1ncnc(Nc2ccc(F)c(Cl)c2)c1[N+](=O)[O-])c1ccc(Br)cc1 40657896 PKUPVFYGOCCZRI-UHFFFAOYSA-N 481.669 4.440 50 10 JIGE CCCCCN1C(=O)/C(=N\NC(=O)COc2cccc(C)c2)c2cc(Br)ccc21 40846243 LQNHDHDDVYALRN-DAFNUICNSA-N 458.356 4.194 50 10 JIGE COc1ccc(OCc2ccc(/C=C(/C#N)C(=O)NCCc3ccc(OC)c(OC)c3)o2)cc1 96438623 BLVQHGMVWMAZCC-CYVLTUHYSA-N 462.502 4.150 50 10 JIGE Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccccc1 110584641 XJPJMDUFXZIKCT-FKBYEOEOSA-N 488.613 4.353 50 10 JIGE CCCOc1c(OC)cc(/C=N\NC(=O)Cc2cc(Cl)ccc2SC)cc1[N+](=O)[O-] 169922724 NAGQOYSAOBASIP-UUYOSTAYSA-N 451.932 4.460 50 10 JIGE C[C@@H]1CN(C(=O)/C(C#N)=C2/N=C(NC(=O)c3ccc(C(C)(C)C)cc3)c3ccccc32)C[C@@H](C)O1 228936241 OQLTXKHFUZXREN-PWWBSACNSA-N 470.573 4.045 50 10 JIGE C[C@@H]1CCN(C(=O)c2cc(I)ccc2Br)C[C@@H]1Br 235346546 UORLPHHHFSBTTF-PELKAZGASA-N 486.973 4.299 50 10 JIGE CC(=NNC(=O)C1c2ccccc2Oc2ccccc21)c1cccc(NC(=O)c2ccnn2C)c1 252621215 MVKANUZGYNHOAP-UHFFFAOYSA-N 465.513 4.450 50 10 JIGE CCOc1cc(C=NNC(=O)NC2CCCCC2)ccc1OCCOc1ccc([N+](=O)[O-])cc1 254393760 NWZRCJOHGPDDQA-UHFFFAOYSA-N 470.526 4.417 50 10 JIGE C=CCOc1ccc(C=NNC(=O)COc2c(Br)cc(Br)cc2OC)cc1 254756539 SQDQNFSSTDIYNI-UHFFFAOYSA-N 498.171 4.314 50 10 JIGE CCn1c(SCC(=O)NN=Cc2cnc3ccccc3n2)nnc1[C@@H]1C[C@H]1c1ccc(Cl)cc1 254876509 OWSSRPBNNBBRME-RBUKOAKNSA-N 492.008 4.408 50 10 JIGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)cc(Cl)c2O)cc1 725417033 YRNQXDVWVAMBOQ-KRWDZBQOSA-N 455.736 4.171 50 10 JIGE CCN1C[C@H](CN(C)C(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)Oc2ccccc21 915287409 DLBFRDBWWZQHMB-KZVLXBEFSA-N 480.572 4.117 50 10 JIGE O=C(CSc1nnc(CCc2ccccc2)n1-c1ccccc1)NN=Cc1cccc([N+](=O)[O-])c1 1084021567 YFJCNDXQLPYOMS-UHFFFAOYSA-N 486.557 4.203 50 10 JIGE CC(=O)N1C[C@@H](C(=O)NNc2c(Cl)cc(Br)cc2Cl)Oc2ccccc21 1265502691 WVHKZGKHQIYMCF-HNNXBMFYSA-N 459.127 4.013 50 10 JIGE CC(=O)c1c(C)[nH]c(C(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)c1C(C)C 1538851302 PJVZGBOREMXLGY-UHFFFAOYSA-N 451.498 4.442 50 10 JIGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc(OCC3CCCCC3)cc2)cc1 1667932076 MEVMURVZGJCZQS-SFHVURJKSA-N 453.539 4.469 50 10 JIGE CC(C)(C)OC(=O)NNC(=O)/C=C/n1cnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 1772502198 IQCUBUOFUDKMGJ-SNAWJCMRSA-N 465.354 4.009 50 10 JIGE Cc1c(C(=O)NNC(C)(C)C)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772749869 QNVKQPWPGZBKSP-UHFFFAOYSA-N 481.380 4.163 50 10 JIGE CC(C)c1ccc(/C=C/C(=O)NNC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)cc1 1860771468 XVMWIVDMAIRGFC-JLHYYAGUSA-N 472.570 4.109 50 10 JIGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C#N)=C(N)O2 1865680444 LGKQDLCLNULKER-FQEVSTJZSA-N 454.889 4.306 50 10 JIGE COc1ccc(/C=N/NC(=O)[C@H](C)NC(=O)OC(C)(C)C)cc1OCc1ccccc1Cl 1873793636 ULWCPBYJLCBXEW-SQAVSUBZSA-N 461.946 4.291 50 10 JIGE COc1ccc(/C=N/NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1OCc1ccc(C)cc1 1873795256 VGDWGSXCXFYIRT-WTFDWONZSA-N 467.566 4.432 50 10 JIGE O=C(NC[C@@]1(CBr)C[C@@H]1C(F)(F)F)c1sccc1I 1877498502 ZVJAACBRQIVFMH-XVKPBYJWSA-N 468.076 4.046 50 10 JIGE BrC[C@H]1CCN(Cc2ccc(I)c(Br)c2)C1 1904327718 PPVHNBDCRMKHMD-SNVBAGLBSA-N 458.963 4.271 50 10 JIGE C[C@]1(CBr)CCCN1c1ncc(I)cc1Br 1988532250 DMMFZFQOUDPXES-LLVKDONJSA-N 459.951 4.203 50 10 JIGE O=S1(=O)CC[C@@H]([C@H](CBr)Cc2cccc(Br)c2Br)C1 2092335365 MICUMNJWWVJJDO-MNOVXSKESA-N 475.040 4.200 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CCC12CC(CBr)C2 2104543523 BXISABGUXOATLP-UHFFFAOYSA-N 498.984 4.443 50 10 JIGE C[P@]1(=O)C[C@@H](Br)[C@@H](NC(=O)c2ccc(Br)cc2Br)C1 2121336064 DSPBOIFWRQAHLU-FDMGOTLNSA-N 473.927 4.080 50 10 JIGE BrC[C@@H]1CN(Cc2cc(Br)ccc2Br)C2(CC2)CO1 2127556044 RQJQLUIJQGCFKX-GFCCVEGCSA-N 454.000 4.340 50 10 JIGE O=S(=O)(c1cc(Cl)c(Br)s1)N1C[C@@H]2CCC[C@]2(CBr)C1 2159404885 MAUYLMZCGMVLQH-UFBFGSQYSA-N 463.644 4.350 50 10 JIGE CC1(C)CO[C@@H](CO[C@@H](CI)c2ccc(Br)cc2)CO1 2179851351 KFPPTPARJNMKIL-KBPBESRZSA-N 455.130 4.136 50 10 JIGE CC1(C)CO[C@@H](CO[C@H](CI)c2cccc(Br)c2)CO1 2179852595 XHQLJGFOBUYTTN-UONOGXRCSA-N 455.130 4.136 50 10 JIGE BrC1CCC2(CC1)CN(Cc1ccc(I)cc1)CCO2 2190049312 AYSLUQHQRHRFNU-UHFFFAOYSA-N 450.158 4.200 50 10 JIGE COc1c(C)cc(Br)c(C)c1[C@@H](Br)c1nn(C)nc1Br 2235270963 XIFLIVXWTSQNIP-SNVBAGLBSA-N 467.987 4.450 50 10 JIGE Cc1ccc(C(CBr)(CBr)Cc2nn(C)nc2Br)cc1 2235293526 NAOKJLWBYYQFCE-UHFFFAOYSA-N 466.015 4.156 50 10 JIGE O=C(NC[C@H]1CC[C@H](CBr)CO1)c1scc(Br)c1Br 2264721918 SJZORFJOIWPCKI-HTQZYQBOSA-N 476.028 4.193 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CC[C@H]2[C@H](CCl)[C@H]2C1 2333114942 QYGULMBSDGTIBO-DCAQKATOSA-N 454.533 4.001 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OCc2ccc3nccn3c2)C1 2343489535 XBWFBUZPWZGNOI-IBGZPJMESA-N 471.339 4.056 50 10 JIGE CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1cc2ccc(C)cc2nc1Cl 2423204 JDLBHMJRNCTQMG-PLVXZXGYSA-N 450.992 4.293 50 10 JIGE CC[C@H]1CCc2sc(-c3nnc(SCC(=O)NNC(=O)c4ccc(Cl)cc4)n3C)cc2C1 10440180 DNYOYWQVNCHLJT-ZDUSSCGKSA-N 490.054 4.265 50 10 JIGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(=S)NNC(=O)COc1cccc2ccccc12 12570144 GKIGXZXZZYZNHP-CYBMUJFWSA-N 492.384 4.015 50 10 JIGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1 14031882 SKADIBMMVCKLHB-QGZVFWFLSA-N 465.575 4.122 50 10 JIGE O=C(NNc1ncnc(NCc2ccccc2)c1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 40599491 GVZGCZUNCWHEBJ-UHFFFAOYSA-N 454.490 4.272 50 10 JIGE COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NCc3ccc(N4CCCC4=O)cc3)c2C)cc1 45899769 LXOKTZZUILXUKF-XQNSMLJCSA-N 468.557 4.453 50 10 JIGE C=CCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C(C#N)=C/c2ccc(OCCC)cc2)c(OC)c1 97442056 MULWEZPXPRFATC-JFJYUCGMSA-N 471.513 4.206 50 10 JIGE CCOCCCNC(=O)/C(C#N)=C\c1c(Oc2ccc(Cl)cc2Cl)nc2ccccn2c1=O 102848988 RBPNEGNLUKRBJH-QINSGFPZSA-N 487.343 4.243 50 10 JIGE CC[C@@H](NC(=O)/C(C#N)=C\N1CCN(C(=O)OC(C)(C)C)CC1)c1ccc2c(c1)CCCC2 217193960 RYHGJEJVYAYSDJ-MUGAAPJKSA-N 452.599 4.093 50 10 JIGE O=S(=O)(N[C@H]1CCC[C@@H]1CBr)c1cc(Br)ccc1Br 231618849 FBDOYOSUDBPBDJ-KCJUWKMLSA-N 476.028 4.054 50 10 JIGE CCn1c(C)nc2cc(C(=O)NN=Cc3c(C)nn(Cc4cccc(OC)c4)c3Cl)ccc21 254394067 YVQLVEXZPNHTSI-UHFFFAOYSA-N 464.957 4.344 50 10 JIGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=C/C=C/c2ccc3c(c2)OCO3)cc1OC 254571216 UJJRTLVVGSCVMS-ZQCQTDEGSA-N 499.523 4.019 50 10 JIGE COc1cc(C=NNC(=O)c2cc3ccccc3cc2O)ccc1OCC(=O)N1[C@@H](C)CCC[C@@H]1C 254813447 MXKNCUFLVNVJLB-OALUTQOASA-N 489.572 4.486 50 10 JIGE CC[C@@H](Br)c1cn(-c2ccc(I)c(Br)c2)nn1 304180762 AXZNAXMWPJCWBN-MRVPVSSYSA-N 470.934 4.480 50 10 JIGE Fc1cc(CCl)cc(F)c1-n1cnc(I)c1I 304436117 RZKXFVUSSIEWCK-UHFFFAOYSA-N 480.421 4.099 50 10 JIGE C[C@H]1[C@H](Br)CCCN1C(=O)c1cc(Br)ccc1I 384227187 FOJWUCFUKWQGRG-GZMMTYOYSA-N 486.973 4.442 50 10 JIGE COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2N2C[C@H](C)O[C@H](C)C2)c1C 917759915 GQBHEFIOIJYRIC-YCVOGKASSA-N 450.583 4.472 50 10 JIGE Cc1nn(-c2ccccc2)c(N(C)C)c1C=NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 1084339403 SGJHCFNZHFKNRU-UHFFFAOYSA-N 466.545 4.263 50 10 JIGE BrC[C@@H]1CCCCN1c1ncc(I)cc1Br 1988533357 UEBIBQBNLVXFOG-VIFPVBQESA-N 459.951 4.203 50 10 JIGE CC[C@H](Br)CN(C)C(=O)c1cc(Br)ccc1I 1999381081 YGGJCSMBICIAHL-QMMMGPOBSA-N 474.962 4.299 50 10 JIGE C[C@]1(CBr)CCN1C(=O)c1ccc(Br)cc1I 2026217888 NXZIDRYLPOMZOK-GFCCVEGCSA-N 472.946 4.053 50 10 JIGE O=C(CCl)c1c(I)ccc(OC(F)(F)F)c1I 2060036680 NFDHNURIOHNXOF-UHFFFAOYSA-N 490.384 4.216 50 10 JIGE O=C(c1ccc(Br)cc1I)N(CCCBr)C1CC1 2086151888 UIWUFOIOHSPICZ-UHFFFAOYSA-N 486.973 4.443 50 10 JIGE O=C(c1cc(Br)ccc1Br)N1C[C@@H]2CC[C@H](Br)[C@H]2C1 2087938590 YCHRKHFRDJMGRW-QWRKXWFKSA-N 451.984 4.457 50 10 JIGE C[C@@](CCl)(NC(=O)c1cc(I)ccc1Br)C(F)(F)F 2105092193 QHLVRMNMLQGNOX-JTQLQIEISA-N 470.454 4.343 50 10 JIGE C[C@H]1C[C@H]1N(CCBr)S(=O)(=O)c1cc(Br)ccc1Br 2110789301 JTJQCVCFQPKBRL-GZMMTYOYSA-N 476.028 4.006 50 10 JIGE O=S(=O)(c1ccc(Br)c(CBr)c1)N1CCC=C(Br)C1 2123364722 AAGGBNOIVAIVOS-UHFFFAOYSA-N 474.012 4.017 50 10 JIGE O=C(c1scc(Br)c1Br)N1CC[C@@H](OCCCBr)C1 2142046452 VOWWEOWIAGNYSI-MRVPVSSYSA-N 476.028 4.289 50 10 JIGE CC1(C)CO[C@@H](CBr)CN1C(=O)c1ccc(Br)cc1Br 2167529866 BMXMKQPDTWAGBV-JTQLQIEISA-N 469.999 4.226 50 10 JIGE CSC[C@H]1CCCN(S(=O)(=O)c2cc(CBr)sc2Br)C1 2179792408 FRFGQZCXRUVHKJ-VIFPVBQESA-N 463.282 4.169 50 10 JIGE Cc1csc(CBr)c1S(=O)(=O)N1C[C@@H]2CN(Cc3ccccc3)C[C@@]2(C)C1 2179815373 DAMWNELGNLCYGB-PXNSSMCTSA-N 469.470 4.094 50 10 JIGE COCC(CCO[C@H](CI)c1ccccc1Br)COC 2187430625 NPGWNEXVANWJCY-OAHLLOKOSA-N 457.146 4.241 50 10 JIGE BrC[C@]12CN(Cc3ccc(Br)cc3Br)C[C@@H]1CCO2 2231270814 SMYKXQTVRZZNCU-FZMZJTMJSA-N 454.000 4.197 50 10 JIGE Clc1cc(CN2C[C@@H]3CC[C@@H](CBr)O[C@@H]3C2)ccc1I 2289171866 GUNXKJBQFXSCJR-SLEUVZQESA-N 470.576 4.319 50 10 JIGE O=C(CCCN1C(=O)C(=Cc2ccccc2Cl)SC1=S)NNC(=O)c1ccccc1Cl 2296270483 FUJADAGZNZJBJZ-UHFFFAOYSA-N 494.425 4.436 50 10 JIGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)NCc3ccco3)c(Oc3ccccc3Cl)nc12 2296542768 MNOVSYGVWDBBCI-UHFFFAOYSA-N 460.877 4.265 50 10 JIGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccccc3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314593732 SCJSUFVTDUGNSQ-HSZRJFAPSA-N 473.554 4.421 50 10 JIGE CCOc1cc(C=C2C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)ccc1OCCC(C)C 2314618937 XAPVBXNUKNNMEH-HXUWFJFHSA-N 452.551 4.281 50 10 JIGE COc1cc(C=NNC(=O)c2cccc(N)c2)cc(Br)c1OCc1ccccc1 2323211454 AMPAGRCCGAFPTR-UHFFFAOYSA-N 454.324 4.383 50 10 JIGE CCCOc1cccc(C=NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1 2325903191 DOQLJAWHXRHABK-HZPDHXFCSA-N 452.580 4.083 50 10 JIGE O=C(N[C@H]1C[C@H](CBr)[C@H]2C[C@@H]12)c1cc(Br)cc(Br)c1 2329877321 BUXKASFAYLEXOU-STRQVWJDSA-N 451.984 4.361 50 10 JIGE N#CC(=C(O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2ccc(F)cc2)cs1 2331344328 FYLJGBHBTQLMSC-UHFFFAOYSA-N 464.434 4.336 50 10 JIGE Clc1ccc(CN2CC[C@@H](OCCCBr)C2)cc1I 2337218651 KWGLEFMAFBIHKM-GFCCVEGCSA-N 458.565 4.321 50 10 JIGE O=C(NCC1(CBr)CC(F)(F)C1)c1ccc(Cl)cc1I 2365595558 LHMOGHADVOKHLF-UHFFFAOYSA-N 478.502 4.485 50 10 JIGE C/C(=N/NC(=O)[C@]1(C)CC1(Br)Br)c1ccc(NC(=O)C2CCC2)cc1 13147009 NKIMFHQTGOLIHY-SXOHWRJOSA-N 471.193 4.162 50 10 JIGE Cc1cc(C(=O)NNC(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2ccco2)c(C)o1 14280234 HYUZELPBDSUQCP-UHFFFAOYSA-N 455.474 4.024 50 10 JIGE COCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccccc1OCc1ccccc1 14662663 ZQOQUGWOIBCHAG-UHFFFAOYSA-N 499.361 4.128 50 10 JIGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OC)c2OC)cc1 38658707 XBQZSCXMPBYOKP-QHCPKHFHSA-N 458.470 4.150 50 10 JIGE COc1ccc(C)cc1Nc1ncnc(NNC(=O)COc2ccc(Cl)cc2Cl)c1[N+](=O)[O-] 40584015 IWCNXTDHUFADQU-UHFFFAOYSA-N 493.307 4.274 50 10 JIGE Cc1ccnc(Nc2ncnc(NNC(=O)C(c3ccccc3)c3ccccc3)c2[N+](=O)[O-])c1 40588304 CZXXRNBWHHFOLZ-UHFFFAOYSA-N 455.478 4.107 50 10 JIGE O=C(N/N=C(/CSc1nc2ccccc2[nH]1)c1ccc(F)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 59460497 SSBAXNCHJFBHSS-QOMWVZHYSA-N 494.464 4.445 50 10 JIGE O=C(COc1ccc2ccccc2c1Br)NNC(=O)c1cccc(Br)c1 100446158 SMXHUJXFDTXPNF-UHFFFAOYSA-N 478.140 4.205 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N[C@H]2CCC[C@H]2CBr)cc1Br 231619497 AOVVBCOUZPFADF-CABZTGNLSA-N 490.055 4.362 50 10 JIGE COc1ccc(Br)cc1C=NNC(=O)COc1ccc(Cl)cc1Br 254523667 HJNQQLXJQLMKBH-UHFFFAOYSA-N 476.552 4.403 50 10 JIGE O=C(NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)/C(=C/c1ccccc1O)NC(=O)c1ccccc1 254849699 SFWBHLYJZNERSI-BRKFHXITSA-N 496.479 4.482 50 10 JIGE CC1(C)CC[C@@H](CBr)N(C(=O)c2cccc(F)c2I)C1 721704730 KHOPMYNFJRAOGJ-JTQLQIEISA-N 454.121 4.456 50 10 JIGE Cc1ccc(NC(=O)COc2ccc(C=NNC(=O)C(=O)Nc3cc(Cl)ccc3C)cc2)cc1 725415858 LMPTXHZEEMGGPU-UHFFFAOYSA-N 478.936 4.063 50 10 JIGE CN(CC(=O)Nc1cccc(Cl)c1)C(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1 915195831 HABSTKMYOOESNH-UYRXBGFRSA-N 472.936 4.121 50 10 JIGE O=C(NN=C1C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21)[C@H](O)c1ccccc1 1083888946 GSLOIUFLKXBYLA-HHHXNRCGSA-N 461.521 4.377 50 10 JIGE CCOc1cc(C=NNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc(Br)c1O 1084420436 FBIGWFTZULKWJF-UHFFFAOYSA-N 494.345 4.172 50 10 JIGE C=CCOc1ccc(C(=O)NN=Cc2ccc(C=NNC(=O)c3ccc(OCC=C)cc3)cc2)cc1 1084566610 JBBYQAQFTQTJCU-UHFFFAOYSA-N 482.540 4.344 50 10 JIGE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1cc(C)n(-c2ccccc2)c1C 1135761753 KTNZLHKJUQWICY-OAQYLSRUSA-N 454.571 4.105 50 10 JIGE Cc1c(C(=O)NCc2cccnc2)oc2c1C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772744139 UTCVNOHSHJLDSF-UHFFFAOYSA-N 481.350 4.146 50 10 JIGE CCCCC1CCC(C(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)CC1 1860771624 BTFJPSMKPZNESW-GTPINHCMSA-N 458.628 4.042 50 10 JIGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(C)cc2)cc1 1865708437 AADQSHUIHNHDJN-SFHVURJKSA-N 468.435 4.263 50 10 JIGE CCOc1cc(C(=O)NNC(=O)c2ccc(-c3ccc(OC)cc3)nc2C)cc(OCC)c1OCC 1865757280 VOAWIOVOQJYTEC-UHFFFAOYSA-N 493.560 4.337 50 10 JIGE Cc1ccc(CCCC(=O)NNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(F)cc2)C3=O)c(C)c1 1865761030 CHFBBQCALGAJLI-UHFFFAOYSA-N 473.504 4.027 50 10 JIGE CCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(CCC(C)C)C2=O)C(=O)Nc1ccc(SC#N)cc1 1866617272 FRECWLCJSIAVRT-QFIPXVFZSA-N 492.601 4.439 50 10 JIGE O=C(NC1CC([C@H](F)CBr)C1)c1cc(Br)cc(Br)c1 1906454304 XQEAUTOSDWUMBL-BEUCVMACSA-N 457.963 4.453 50 10 JIGE CN(C[C@H](Br)COCc1ccccc1)c1ccc(S(=O)(=O)C(F)(F)F)cc1 1916335589 TXZANSMVRIVTRG-HNNXBMFYSA-N 466.319 4.397 50 10 JIGE Cc1cc(S(=O)(=O)N(C)C[C@@H](Br)COCc2ccccc2)sc1Cl 1916359554 DCCAZKRXQREODJ-CQSZACIVSA-N 452.823 4.311 50 10 JIGE CCn1cc(Br)c(C(=O)N(Cc2ccccc2)[C@@H](CBr)C2CC2)n1 2010561731 IBNRWFZZTWTLTR-INIZCTEOSA-N 455.194 4.481 50 10 JIGE Cc1nn(C)c(Br)c1C(=O)N(Cc1ccccc1)[C@@H](CBr)C1CC1 2013204943 PIULOICKJCDRDO-HNNXBMFYSA-N 455.194 4.307 50 10 JIGE CC1CC(CBr)(NC(=O)c2cc(I)ccc2Br)C1 2045118610 VJJBPLOIEBMDFG-UHFFFAOYSA-N 486.973 4.347 50 10 JIGE CC[C@H](C)[C@H](CI)NC(=O)c1ccc(F)cc1I 2081235434 GBNODZPPKIVJTM-UFBFGSQYSA-N 475.083 4.010 50 10 JIGE O=C(c1csc(Br)c1Br)N1CC2(C1)OCCC[C@@H]2Br 2103420543 YLTAEQPNDUYXCA-QMMMGPOBSA-N 474.012 4.042 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1CCCC[C@@H](Br)C1 2112925091 KTPQEGGADWKYMP-SNVBAGLBSA-N 476.028 4.150 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CC[C@H](Cl)CC12CC2 2113589272 NFZPJKQUVQMXPD-VIFPVBQESA-N 454.533 4.430 50 10 JIGE CN([C@H]1CC(C)(C)[C@H]1OCc1ccccc1)S(=O)(=O)CCC(F)(F)CBr 2123363553 UTVSWKGIERQRJS-HOTGVXAUSA-N 454.377 4.052 50 10 JIGE CCN1CCC[C@@H]([C@H](Br)c2cccc(Br)c2Br)S1(=O)=O 2148762640 XRCQCOWDEGOCCP-WCQYABFASA-N 490.055 4.462 50 10 JIGE O=S(=O)(c1cc(Cl)c(Br)s1)N1C[C@H]2[C@@H](Br)CCC[C@H]2C1 2150963530 BIROIDLLFHNHAI-YIZRAAEISA-N 463.644 4.348 50 10 JIGE O=S1(=O)C[C@H]2[C@@H](C1)[C@@H]2[C@H](Cl)c1c(F)cc(Br)c(F)c1Br 2288347955 ZZIJYMFDIXFEAQ-AYFZAPKBSA-N 450.526 4.060 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CC[C@@H]2[C@H](C1)[C@@H]2CBr 2333116885 HHFYOMJXFPWDDK-WCQGTBRESA-N 498.984 4.157 50 10 JIGE C[C@@H](CBr)[C@H]1CCCCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364214938 QMTBOSRJUBMXPE-FXAWDEMLSA-N 499.471 4.058 50 10 JIGE C[C@H](Cl)c1nc2c(Br)cccc2n1-c1c(I)cnn1C 2381869165 SCGQDMXDPOYNGB-ZETCQYMHSA-N 465.520 4.426 50 10 JIGE O=C(NC1CCCCC1)[C@@H](c1ccc(F)cc1)N(C[C@H]1COc2ccccc2O1)C(=O)CCl 3037417 RHJVEGKZBSPXAW-GBXCKJPGSA-N 474.960 4.223 50 10 JIGE O=C(Cc1cccc2ccccc12)NNC(=S)NC(=O)c1ccccc1OCCc1ccccc1 10510866 LZHFACKUWCHEDD-UHFFFAOYSA-N 483.593 4.340 50 10 JIGE COc1ccc(OCC(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 13978189 CMWNICUDSXYGAG-UHFFFAOYSA-N 475.545 4.085 50 10 JIGE Cc1cc(OCC(=O)N/N=C2\C(=O)Nc3ccc(Br)cc32)c(C(C)C)cc1Cl 27527878 ZUOHXKVNXGOCGB-UHFFFAOYSA-N 464.747 4.386 50 10 JIGE C[C@H](Sc1ccccn1)C(=O)N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 59166555 QLOLOVGBJHMZPZ-WQEJZQBCSA-N 467.463 4.321 50 10 JIGE BrCc1cn(-c2c(Br)cc(Br)cc2Br)nn1 71126196 OPKRLSZJJJSQRM-UHFFFAOYSA-N 474.776 4.450 50 10 JIGE COCCO[C@@H]1[C@H](Br)C[C@H]1Oc1c(Br)cccc1Br 300480273 NQTZLFIILXIQFH-NQBHXWOUSA-N 458.972 4.158 50 10 JIGE O=C(N[C@@H](CCl)CC(F)(F)F)c1cc(I)ccc1Br 717745127 JOFZURZPOISHKB-SSDOTTSWSA-N 470.454 4.343 50 10 JIGE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NCCSSC)c1 1532438072 AOMJUVDJDVFANG-UHFFFAOYSA-N 457.042 4.462 50 10 JIGE COC(=O)c1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(C)cc1)CCC2 1772745351 YPUSFGIOUSBVDY-UHFFFAOYSA-N 459.502 4.406 50 10 JIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccn2)ccc1OC(C)C 1865696091 BZPASJZIQNCJDF-GOSISDBHSA-N 471.439 4.300 50 10 JIGE COc1ccc(/C=C/C(=O)NNC(=O)c2ccc(-c3ccc(Cl)cc3)nc2C)cc1OC 1865755910 WQNNKVHQJYUDOA-WLRTZDKTSA-N 451.910 4.202 50 10 JIGE Cc1cccc(C(=O)N[C@@H]([C@@H](C)Br)C(F)(F)F)c1I 1882653422 VLPAORRTEKIZGY-XCBNKYQSSA-N 450.036 4.044 50 10 JIGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@@H]1C[C@@H]1Br 1888780076 ZETDLTIXSPELFK-WVFSVQOHSA-N 457.368 4.203 50 10 JIGE Brc1cc(I)cnc1N1C[C@H](Br)CC12CCC2 2015767408 ROARJTZMBQHXKM-MRVPVSSYSA-N 471.962 4.345 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@@H]2C[C@H](C[C@@H]2Br)C1 2142284938 JPHBRKXLVINTNN-PTRXPTGYSA-N 498.984 4.299 50 10 JIGE C[C@H]1C[C@H](CCl)CN(C(=O)c2ccc(Br)cc2I)C1 2142286664 GNOHMPQTBIJTNI-VHSXEESVSA-N 456.549 4.391 50 10 JIGE O=C(Cc1ccccc1I)N[C@H](CCBr)C1CCCC1 2143867532 DDOBYMPRKSREHD-OAHLLOKOSA-N 450.158 4.294 50 10 JIGE C[C@]12CN(S(=O)(=O)c3cc(Br)ccc3Br)C[C@]1(CBr)C2 2165489398 QGXUPOMGLOIYRH-QWHCGFSZSA-N 488.039 4.007 50 10 JIGE CN(C[C@@H](Br)C1CCCC1)C(=O)c1cc(I)ccc1F 2169669038 WZGUFJNJQUBWPX-CYBMUJFWSA-N 454.121 4.456 50 10 JIGE C[C@H]1CN(S(=O)(=O)c2cc(CBr)ccc2F)[C@@H](C)CN1Cc1ccccc1 2179784895 FPCAURWCZGDKSE-HOTGVXAUSA-N 455.393 4.004 50 10 JIGE CN(c1ncc(I)cc1Br)[C@@H](CBr)CC1CC1 2213809638 JFAINYCNSQSLQM-SNVBAGLBSA-N 473.978 4.449 50 10 JIGE Cc1cc(Br)c([C@H](Br)[C@@H]2CCS2(=O)=O)c(C)c1Br 2220140044 CZGIXTAMOGSVCN-JOYOIKCWSA-N 461.013 4.452 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)NC[C@@H](CBr)C(F)(F)F 2295310981 DWCQGEJGYZTZKJ-MRVPVSSYSA-N 481.932 4.444 50 10 JIGE Cc1cc(C)cc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)NCc2ccco2)c1 2296543603 PVDIMPNXFAQDJT-UHFFFAOYSA-N 454.486 4.228 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC[C@H]2COC3(C)CC2C3)C1 2317959250 HREXJWYTGIPOIE-DGSXUWPCSA-N 465.372 4.023 50 10 JIGE O=S(=O)(NCC(F)(F)CBr)c1c(Cl)cc(Br)cc1Cl 2336551259 NEACBMWTLUXYCB-UHFFFAOYSA-N 461.937 4.064 50 10 JIGE O=C(c1ccc(I)cc1)N1CC[C@H](Br)C[C@@H]1C(F)(F)F 2361451831 DCHMQSRDHBPHNJ-GXSJLCMTSA-N 462.047 4.222 50 10 JIGE COc1cc([C@H](Br)c2cnn(C)c2I)c(OC)cc1Cl 2363532584 GJZPQEHJVFNHHP-LBPRGKRZSA-N 471.520 4.180 50 10 JIGE C[C@@H](Cl)c1nc2c(Br)cccc2n1-c1c(I)cnn1C 2381869164 SCGQDMXDPOYNGB-SSDOTTSWSA-N 465.520 4.426 50 10 JIGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(Cl)cc2)cc1Br 14041436 YRVUMKKBBCUJKJ-UHFFFAOYSA-N 484.803 4.231 50 10 JIGE CCOc1cc(/C=N/NC(=O)CCCSc2nc3ccc([N+](=O)[O-])cc3s2)ccc1O 58992036 QSZZLCFJYAWMHF-CIAFOILYSA-N 460.537 4.331 50 10 JIGE C[C@@H](Sc1ccccn1)C(=O)N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21 59154415 JQXFSOYJVVQSSN-IAIVQWBNSA-N 450.951 4.283 50 10 JIGE CC[C@@H](Br)CCNS(=O)(=O)c1cc(Br)ccc1Br 135168524 TYGVTMCUHKPJGT-MRVPVSSYSA-N 464.017 4.054 50 10 JIGE C#CCOc1ccc(Br)cc1C=NNC(=O)[C@H](C)Oc1ccccc1Br 252616978 KJVXTYJXBUTHRU-ZDUSSCGKSA-N 480.156 4.141 50 10 JIGE COc1cc(OC)c(OC)cc1C=NNC(=O)c1cc(-c2ccc(OCc3ccccc3)cc2)n[nH]1 254402933 LSTOZJAMWGWQSM-UHFFFAOYSA-N 486.528 4.445 50 10 JIGE O=C(CBr)c1cc(OC(F)F)cc(Br)c1I 575681835 BNNQWHPBNWXBFG-UHFFFAOYSA-N 469.845 4.233 50 10 JIGE C[C@@H]1CN(C(=O)c2ccc(I)c(Cl)c2)C[C@]1(C)CBr 694707224 INTZDHLADZVXBI-OTYXRUKQSA-N 456.549 4.438 50 10 JIGE CC(=O)N(c1ccc(C)cc1)c1nc(C=NNC(=O)c2cc(Br)cn2C)cs1 917545493 UJHAQGPDBJGZEH-UHFFFAOYSA-N 460.357 4.001 50 10 JIGE COc1ccc(-c2ccc(C(=O)N/N=C(/C)c3ccc4c(c3)CCN4C(C)=O)c(C)n2)cc1OC 1865763268 CWVJCINPQVQEMG-MWLSYYOVSA-N 472.545 4.137 50 10 JIGE Cc1ccc(OCC(=O)NNC(=O)c2sc(Cc3ccccc3)nc2C)c(C(C)(C)C)c1 1865845261 OTCAAUNGMOBDJI-UHFFFAOYSA-N 451.592 4.488 50 10 JIGE COc1ccc(/C=C(\C#N)C(=O)NCc2ccc3n2CCN(C(=O)OC(C)(C)C)[C@H]3C)cc1 1866126946 ZCLANEBOJZOQNU-WFVLPUPGSA-N 450.539 4.032 50 10 JIGE COC(=O)c1ccc2c(O)nc(/C(C#N)=C/c3ccc(OC(=O)c4ccccc4)cc3)nc2c1 1872727657 QQLRMTZNQXEWJU-CPNJWEJPSA-N 451.438 4.405 50 10 JIGE CC[C@@H](Br)CN(CC)c1ncc(I)cc1Br 1988537986 LUPWKQICZRGABB-MRVPVSSYSA-N 461.967 4.449 50 10 JIGE O=C(N[C@H](CBr)C(F)(F)F)c1cc(Br)ccc1Br 2029997646 WWXMIXLSFHSFDU-MRVPVSSYSA-N 453.878 4.267 50 10 JIGE O=C(CBr)c1cc(Br)c(I)c(Br)c1 2054857283 IABVZFJWXHFKSR-UHFFFAOYSA-N 482.735 4.394 50 10 JIGE CCN(C[C@](C)(CI)O[C@@H]1CCN2CCC[C@@H]2C1)C(=O)OC(C)(C)C 2078758898 MMBGVYAPJCVDJI-MDZRGWNJSA-N 466.404 4.081 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@@H]2C[C@H](CBr)[C@@H]2C1 2117681436 LRGXAEXXFBHVLY-PTRXPTGYSA-N 498.984 4.157 50 10 JIGE CN(C(=O)c1cc(I)ccc1Br)[C@@H](CCCl)C(F)F 2122008530 IZUAIMVOSBFTDA-JTQLQIEISA-N 466.491 4.388 50 10 JIGE C[C@@]1(CBr)CC(F)(F)CN1C(=O)c1ccc(F)cc1I 2159048496 FMHTXSTZALWSPA-LBPRGKRZSA-N 462.047 4.065 50 10 JIGE CC(C)(C)OC(=O)N1CCN(CCCCCI)CCN1C(=O)OC(C)(C)C 2209248703 VHEOEDPUUQKTDO-UHFFFAOYSA-N 497.418 4.297 50 10 JIGE O=C(c1cc(I)ccc1F)N1C[C@@H](Br)CC12CCCC2 2241039600 MFWNOOMUUTWTKH-JTQLQIEISA-N 452.105 4.353 50 10 JIGE COCCOc1ccc(C=C(C#N)C(=O)NCc2ccc3n2CCN(C(=O)OC(C)(C)C)[C@@H]3C)cc1 2331117721 BONAYDRFMBQFEQ-LJQANCHMSA-N 494.592 4.048 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CCC2CC1(CCl)C2 2336555558 FGOLSZMGYYWHLG-UHFFFAOYSA-N 454.533 4.287 50 10 JIGE O=S(=O)(N[C@H](CCBr)COCc1ccccc1)c1ccccc1C(F)(F)F 2369430732 HUPAKKDHIPQHMH-OAHLLOKOSA-N 466.319 4.354 50 10 JIGE CCCOc1ccc(C(=O)NNC(=O)c2ccc(OC)c(Br)c2)cc1Br 14647322 AGJJZHSKLNTOLU-UHFFFAOYSA-N 486.160 4.084 50 10 JIGE CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C\c2ccc(OC)cc2OC)c(OCC)c1 33727835 UQYXJRJVBFMAEU-UXZHGZJPSA-N 451.475 4.191 50 10 JIGE Cc1c(C(=O)N2CCCCC2)oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2 40812887 XIQJBQLHLGIFHE-JJIBRWJFSA-N 458.356 4.447 50 10 JIGE Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)Cn1c(C(F)(F)F)nc2ccccc21 59937518 KRWSOFXPUCKZNN-KBKYJPHKSA-N 460.847 4.353 50 10 JIGE O=C(N/N=C/c1ccncc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103742807 ZZFIORNDKVOCIR-RSLIBCCBSA-N 467.185 4.271 50 10 JIGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)/C=C\c1cccc([N+](=O)[O-])c1 206682773 ZJXVKSDZBOOYKW-JZWAFYGISA-N 487.468 4.429 50 10 JIGE O=S(=O)(NC[C@@H]1CCC[C@@H](Br)C1)c1cc(Cl)c(Br)s1 227806197 VNGKOSOKIMHNPN-HTQZYQBOSA-N 451.633 4.396 50 10 JIGE COc1ccc(-n2c(SCC(=O)NN=C(C)c3ccc(F)cc3)nc3ccccc3c2=O)cc1 254387469 RELRSFBWLKYGPR-UHFFFAOYSA-N 476.533 4.166 50 10 JIGE CCOc1cc(C=NNC(=O)CSc2nnc(SCc3ccc(C)cc3)s2)ccc1O 254734509 YEJJHUVXJPEQIQ-UHFFFAOYSA-N 474.633 4.486 50 10 JIGE O=S1(=O)CC[C@H](C(CBr)(CBr)Cc2ccsc2Cl)C1 710856328 GYZZCNUPWTXXBC-JTQLQIEISA-N 450.645 4.155 50 10 JIGE C[C@@H]1CN(C(=O)c2ccc(I)c(Br)c2)C[C@@]1(C)CCl 721619492 GRPSJOYQRMKBMI-YMTOWFKASA-N 456.549 4.391 50 10 JIGE N#CCCn1cc(/C=C(\C#N)C(=O)N2CCCN(C(=O)CC3CCCC3)CC2)c(-c2ccccc2)n1 730783953 ANXNGCNDZLMZLW-LYBHJNIJSA-N 484.604 4.012 50 10 JIGE COc1cc([C@H](Br)c2cn(C)c(Br)n2)c(OC)cc1Br 829355024 UWYVOFBTJZLEFE-LBPRGKRZSA-N 468.971 4.447 50 10 JIGE N#CCCn1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3Cl)CC2)c(-c2ccccc2)n1 914458539 DUBGBZNWPRUDIZ-HEHNFIMWSA-N 470.964 4.373 50 10 JIGE O=C(CSc1ccc(C=NNC(=O)c2ccc(F)cc2)cc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 1084098239 HBPWRMUCARIKND-UHFFFAOYSA-N 482.449 4.381 50 10 JIGE COc1cccc(N2CCC(NC(=O)/C(C#N)=C\c3cn(CCC#N)nc3-c3ccccc3)CC2)c1 1318062599 DIPCJUBFHJNTOB-XLNRJJMWSA-N 480.572 4.165 50 10 JIGE CC(=O)CCc1ccc2oc(C(=O)NNC(=O)c3cc(-c4cc(C)ccc4C)[nH]n3)c(C)c2c1 1650902592 RJFYGZSEISZUBM-UHFFFAOYSA-N 458.518 4.345 50 10 JIGE CCCCCN1C(=O)C(=NNC(=O)COc2ccccc2C)c2cc(Br)ccc21 1772752539 ZPRFXQPVQDDPBX-UHFFFAOYSA-N 458.356 4.194 50 10 JIGE COc1ccccc1-c1ccc(C(=O)NNC(=O)CCc2ccccc2Br)c(C)n1 1865760235 NNYJMQHMBLAUEA-UHFFFAOYSA-N 468.351 4.222 50 10 JIGE N#C/C(=C\c1cccc(Br)c1)C(=O)N1CCN(CCc2c[nH]c3ccccc23)CC1 1866366591 LZYWRPZRYAXKGV-XSFVSMFZSA-N 463.379 4.224 50 10 JIGE N#C/C(=C(/O)CCCN1C(=O)c2ccccc2C1=O)c1nc(-c2ccc3c(c2)OCCO3)cs1 1872751141 SVFKIPLXNVXQTE-ZZEZOPTASA-N 473.510 4.450 50 10 JIGE COC(=O)c1ccccc1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)CC1=O 1872752544 INQKDVIJSGIXCF-ADSWHHSESA-N 489.509 4.171 50 10 JIGE Cc1sc(Br)cc1S(=O)(=O)N(C)C[C@H](Cl)COCc1ccccc1 1916363879 FWTIHUBPLSHNDO-AWEZNQCLSA-N 452.823 4.264 50 10 JIGE O=C(c1cc(Br)sc1Br)N1C[C@@H](Br)C(F)(F)C1 1946671468 XZGRIESRDOJVQA-RXMQYKEDSA-N 453.928 4.128 50 10 JIGE CCN(CC)S(=O)(=O)C[C@H](Br)c1ccc(I)c(Cl)c1 2089399287 AONWUQOMDIGHPR-JTQLQIEISA-N 480.593 4.052 50 10 JIGE O=C(NC[C@H](CCl)C1CCC1)c1cc(I)ccc1Br 2089971921 ZMJKXAKZRFWCTK-JTQLQIEISA-N 456.549 4.439 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CCC12CC(CBr)C2 2104560214 JEYSOPOYLUKLJG-UHFFFAOYSA-N 498.984 4.443 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N(CCBr)[C@@H]2C[C@H]2C)cc1Br 2167107680 XQFFAFDQFBBACU-BXKDBHETSA-N 490.055 4.314 50 10 JIGE Cc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)C[C@H](C)C2)cc1CBr 2179786067 VCTUUBLNEQCTRV-KRWDZBQOSA-N 451.430 4.033 50 10 JIGE CC(C)[C@@H]1[C@H](Br)CCN1S(=O)(=O)c1cc(Br)ccc1Br 2182499323 XAJYIHJZZVOUBS-DGCLKSJQSA-N 490.055 4.394 50 10 JIGE CN(C[C@H]1C[C@H](Br)C1)S(=O)(=O)c1ccc(CBr)c(Br)c1 2196930877 YZXIJBYYWCUALK-HOMQSWHASA-N 490.055 4.138 50 10 JIGE Cc1ccc(I)c(C(=O)N(C)[C@@H](CCBr)C(F)(F)F)c1 2240900245 BCZDFJNYYXAHBQ-NSHDSACASA-N 464.063 4.388 50 10 JIGE BrC[C@@]12CC[C@@H](C1)N(c1ncc(I)cc1Br)C2 2299770440 UMDZULINDOQHMA-JOYOIKCWSA-N 471.962 4.203 50 10 JIGE O=C(c1ccc(Cl)cc1I)N(CCBr)CC(F)F 2317767942 CLERHCOAECNHEO-UHFFFAOYSA-N 452.464 4.047 50 10 JIGE O=C(N[C@@H]1C[C@@H]2C[C@H]1C[C@H]2Cl)c1ccc(I)c(Br)c1 2330905756 YEZNDRCAXWLBBK-FIQUKUQUSA-N 454.533 4.189 50 10 JIGE Cc1cc(I)ccc1NCC(=O)N/N=C/c1c(O)ccc2ccccc12 1497555 XWVDUQGBURKWPT-FOKLQQMPSA-N 459.287 4.021 50 10 JIGE Cc1cc2c(cc1Br)NC(=O)/C2=N\NC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 12581209 KNLNFDKCFQKZAE-UHFFFAOYSA-N 498.164 4.256 50 10 JIGE CCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)CC(C)C)cc1 14036235 CKEQJZZGUVQNNS-UHFFFAOYSA-N 484.622 4.190 50 10 JIGE O=C(NNc1ncnc(Oc2cccc3cccnc23)c1[N+](=O)[O-])c1ccc(Br)cc1 40618483 HQDMJTBDMKNZGB-UHFFFAOYSA-N 481.266 4.245 50 10 JIGE Cc1c(C(=O)NNc2ccccc2)oc2c1/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 40813455 SREXNTKEVWEQBM-YZSQISJMSA-N 481.896 4.377 50 10 JIGE C=CCc1ccccc1OCC(=O)Oc1ccc(/C=C(\C#N)C(=O)NCc2ccco2)cc1OC 54624953 YRDYJGKDAFOAKF-KGENOOAVSA-N 472.497 4.224 50 10 JIGE COc1cc([N+](=O)[O-])ccc1-n1nc(C)c(/C=N/NC(=O)[C@H](C)SCc2ccccc2)c1C 59148158 FSMWBJXWIFZNMI-PDERCVKFSA-N 467.551 4.178 50 10 JIGE C/C(NNC(=O)c1ccccc1)=C1\C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 205952819 SJAXDYSKBYSLLO-LTGZKZEYSA-N 453.527 4.256 50 10 JIGE Cc1ccc(C(=O)Oc2ccc(C=NNC(=O)CSc3nnc(C)n3-c3ccccc3)cc2)cc1 254398730 OMOJQFFLUMQOTK-UHFFFAOYSA-N 485.569 4.346 50 10 JIGE COc1cc(OC)c(OC)cc1C=NNC(=O)c1cc(-c2c(OC)ccc3ccccc23)n[nH]1 254626914 KSAMFILNXCMHEP-UHFFFAOYSA-N 460.490 4.028 50 10 JIGE C[C@@H]1CN(C(=O)c2cc(Cl)ccc2I)C[C@@H](C)C1Br 688086424 MUZZLKBLTFOVDR-RKDXNWHRSA-N 456.549 4.436 50 10 JIGE CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)NNC(=O)c1sc(-c3ccccc3)nc1C)O[C@@H](C)C2 730514608 BHZGRGKTYXSCCP-ADLFWFRXSA-N 477.586 4.405 50 10 JIGE Cn1cc(C(=O)NNC(=O)c2cnn(-c3ncc(Cl)cc3Cl)c2C(F)(F)F)c2ccccc21 730769459 KDSWUCRKRFKTMH-UHFFFAOYSA-N 497.264 4.159 50 10 JIGE COc1ccccc1C1(CNC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)CC1 749635367 COMWRSHICFJWOL-PGMHBOJBSA-N 451.530 4.227 50 10 JIGE C=CCOc1c(Br)cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1OC 1084255115 JTYNFGPECAMLJY-HXUWFJFHSA-N 491.382 4.385 50 10 JIGE C=CCC[C@@H](NC(=O)NNC(=O)c1ccc(OC)cc1OC)c1ccc(C(F)(F)F)cc1 1679306238 VZMCTQGOBHRCGI-GOSISDBHSA-N 451.445 4.374 50 10 JIGE CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865712109 PSRXDVBZLBLKKN-OAQYLSRUSA-N 493.907 4.376 50 10 JIGE CCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 1865715081 VKDZYHGLDDOHPK-LJQANCHMSA-N 451.324 4.424 50 10 JIGE CCOc1cc(C(=O)NNC(=O)c2ccc(-c3cccc(OC)c3)nc2C)cc(OCC)c1OCC 1865758755 PNHIRTDORBQFCH-UHFFFAOYSA-N 493.560 4.337 50 10 JIGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1 1873794569 PCALXJUJJGJUNB-SMVKWFHNSA-N 453.539 4.295 50 10 JIGE O=C(N[C@@H](CCBr)C(F)F)c1cc(Br)sc1Br 1918517988 AZRQCLMDWWJATR-YFKPBYRVSA-N 455.944 4.422 50 10 JIGE C[C@@H](NCCSSCCNC(=O)OC(C)(C)C)[C@H]1[C@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 1985350504 REMJACVDPUUXEQ-TWMKSMIVSA-N 461.694 4.126 50 10 JIGE Brc1ccc([C@@H](Br)Cc2ncc[nH]2)c(I)c1 1995286152 PNWHYGSGKUEOCF-VIFPVBQESA-N 455.919 4.456 50 10 JIGE FC(F)Oc1cc(I)cc(CBr)c1I 2060291263 POUQETVEEDJRBW-UHFFFAOYSA-N 488.835 4.392 50 10 JIGE O=S(=O)(CCC(CCl)CCl)Nc1cc(Cl)ccc1I 2104632431 XKKLPIYNDGLHRY-UHFFFAOYSA-N 456.560 4.170 50 10 JIGE COc1ccc(S(=O)(=O)N(Cc2ccccc2)CC(F)(F)F)cc1CBr 2123268734 GOQMVTZPDXRVGF-UHFFFAOYSA-N 452.292 4.343 50 10 JIGE O=C(c1ccc(Br)cc1I)N1[C@H]2CC[C@H]1[C@@H](CBr)C2 2142280642 GUUXAVLWNWHJPX-DVYJOKAKSA-N 498.984 4.442 50 10 JIGE CCCN1CC[C@@H]([C@@H](Br)c2cc(Br)cc(Br)c2)S1(=O)=O 2145770068 RLLKQAUQVVFFOZ-STQMWFEESA-N 490.055 4.462 50 10 JIGE ClCc1cc(Br)cnc1N1CCC[C@@]2(CN(Cc3ccccc3)CCO2)C1 2151751074 DLKRYRCAJVYWJY-OAQYLSRUSA-N 450.808 4.454 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N[C@](C)(CCl)C(F)F)cc1Br 2161366120 IULBOSAGAWGSDQ-LLVKDONJSA-N 455.546 4.061 50 10 JIGE CC(C)(C)OC(=O)N1CCC12CCS(=O)(=NCC1(CBr)CC(F)C1)CC2 2265631279 BEPRCFXQXOCGDP-UHFFFAOYSA-N 453.418 4.141 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OC[C@]23C[C@](C(F)F)(CO2)C3)C1 2266286928 LVHTXTPAOFDYMT-BZSNNMDCSA-N 487.325 4.022 50 10 JIGE CN(C(=O)c1c(F)cccc1I)C1(CBr)CCSCC1 2282793576 BLMDKTZSRUVDPJ-UHFFFAOYSA-N 472.161 4.163 50 10 JIGE Clc1ccc(CC23COC(CI)(C2)C3)c(I)c1 2302318813 XUEFDYTYQBSWQX-UHFFFAOYSA-N 474.507 4.471 50 10 JIGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OC 2313518167 OUUHQOOBOAGVCZ-UHFFFAOYSA-N 462.287 4.471 50 10 JIGE O=C(NCCSCCCBr)c1cc(Br)cc(Br)c1 2314051854 BHROAEIHNIFDTB-UHFFFAOYSA-N 460.029 4.460 50 10 JIGE O=C(COc1ccc(C(=O)NC2CCCCC2)cc1)NN=Cc1ccc(OC(=O)c2ccco2)cc1 2321697700 IONXWEQJWRHLAF-UHFFFAOYSA-N 489.528 4.090 50 10 JIGE C[C@H](Br)CCc1cn(Cc2ccc(Cl)cc2I)nn1 2341030650 SEEATGCCGLLEPW-VIFPVBQESA-N 454.537 4.300 50 10 JIGE COCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)c1C 10414017 ZWJSRMAVFOXSTK-CJLVFECKSA-N 458.566 4.282 50 10 JIGE Cc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Br)cc1Br 14644392 IAEYZLSMYGIWID-JTQLQIEISA-N 490.579 4.402 50 10 JIGE Cc1ccc(OCC(=O)NNC(=O)c2ccc(OCCC(C)C)c(Br)c2)c(C)c1 14645588 HRTYVRIEAIROBQ-UHFFFAOYSA-N 463.372 4.331 50 10 JIGE Cc1cc(OCC(=O)NNC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)ccc1Br 14665846 YEUQOXZMQGAFSG-OAHLLOKOSA-N 463.372 4.049 50 10 JIGE COc1cc(/C=C(/C#N)c2ccccc2OC)ccc1OC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O 31901989 AZHKLAWIWLZQHS-SQFNAUOLSA-N 482.492 4.358 50 10 JIGE CC(C)(C)CC(C)(C)NC[C@H](O)COc1ccc(C(=O)N/N=C/c2c[nH]c3ccccc23)cc1 40571094 HRMDJMKTVWVPQG-XLBLDCAYSA-N 464.610 4.476 50 10 JIGE Cc1c(C(=O)Nc2ccc(Br)cc2)oc2c1/C(=N/NC(=O)c1ccccn1)CCC2 40814325 LFFDDANINMQHTG-WGOQTCKBSA-N 467.323 4.468 50 10 JIGE Cc1c(C(=O)N2CCCC[C@@H]2C)oc2c1/C(=N/NC(=O)c1cncc(Br)c1)CCC2 40822881 JJCIPVQLHYIRKU-SCDXDFJTSA-N 473.371 4.231 50 10 JIGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])o2)cc1 58894739 IPYLHIRLVQIORQ-ZJVWCJDDSA-N 482.449 4.126 50 10 JIGE C=CCc1ccccc1OCC(=O)Oc1ccc(/C=C(/C#N)C(=O)NCc2ccco2)cc1OC 207298385 YRDYJGKDAFOAKF-STZFKDTASA-N 472.497 4.224 50 10 JIGE CC(=C\c1ccccc1)/C=C(/NC(=O)c1ccccc1)C(=O)NN=Cc1cccc([N+](=O)[O-])c1 254345477 ZLKJFDMRPNMYGE-NIZXWZJUSA-N 454.486 4.462 50 10 JIGE COc1ccc(C=NNC(=O)/C(=C/C=C\c2ccccc2)NC(=O)c2ccccc2)cc1OC 254799668 HLNSCSQMOJPMPW-QWPXOVBYSA-N 455.514 4.181 50 10 JIGE O=S(=O)(N[C@H]1CCC[C@H](CBr)C1)c1cc(Cl)c(Br)s1 302582138 FROODTPURLGDKU-YUMQZZPRSA-N 451.633 4.396 50 10 JIGE COc1ccc(Br)cc1[C@H](Br)c1cnn(C)c1I 379222607 USMDKCGTHFTTAJ-NSHDSACASA-N 485.945 4.280 50 10 JIGE CC1(C)C[C@@H](Br)CCN(C(=O)c2cc(I)ccc2O)C1 395366272 ZKUZAJSJRLULBE-JTQLQIEISA-N 452.130 4.023 50 10 JIGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)cc(Cl)c2O)cc1 725417034 YRNQXDVWVAMBOQ-QGZVFWFLSA-N 455.736 4.171 50 10 JIGE Cc1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)NC3CCN(C(=O)CC(F)(F)F)CC3)c2C)c1 726948390 MTMIJDTXDLFLHA-DEDYPNTBSA-N 472.511 4.369 50 10 JIGE Cn1cc(C(=O)NNC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C4CC4)c23)c2ccccc21 727729278 VSIUQEATLJXRLT-UHFFFAOYSA-N 469.476 4.473 50 10 JIGE CC(=NNC(=O)[C@@H](C)Nc1nc2ccccc2s1)c1ccc(S(=O)(=O)C2CCCC2)cc1 914695074 CZYJTKDGLCLBRP-MRXNPFEDSA-N 470.620 4.353 50 10 JIGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCC#N)c(Cl)c2)cc1 1084348408 QXEZGGFKVBNUFT-LJQANCHMSA-N 450.322 4.258 50 10 JIGE Cc1nn(-c2cc(Oc3ccc(C[C@@H](Cl)C(N)=O)cc3F)c(Cl)cc2F)c(=O)n1C(F)F 1615943880 JHWVCZGAHQFHDU-LLVKDONJSA-N 493.244 4.097 50 10 JIGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(C)cc2)cc1O 1865682505 QHLPRFARMVVUBJ-SFHVURJKSA-N 456.424 4.191 50 10 JIGE CC(C)(NC(=O)CCc1csc(-c2ccncc2)n1)C(=O)Nc1ccc(SC#N)cc1 1867057101 OEPARYNWAOFHKA-UHFFFAOYSA-N 451.577 4.244 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]2CC[C@H]12 1895940929 IYNHOHMBRAVFTN-BRWVUGGUSA-N 461.694 4.270 50 10 JIGE CN(C)C[C@H](Br)CCc1ccc(I)c(Br)c1 1904329123 ZQBCULJGNZZLII-SNVBAGLBSA-N 460.979 4.311 50 10 JIGE O=S(=O)(c1cccc2nsnc12)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915172595 OPQOIWILQXUFOD-INIZCTEOSA-N 452.399 4.056 50 10 JIGE O=S1(=O)CC[C@H]([C@@H](Br)c2sc(Br)cc2Br)C1 1922929597 KMUCBFNDEZAZFB-YLWLKBPMSA-N 453.015 4.144 50 10 JIGE Cc1sc(Br)cc1C(=O)NCCSSCCNC(=O)OC(C)(C)C 2010828839 MRLOTPGLHQIWPW-UHFFFAOYSA-N 455.465 4.455 50 10 JIGE BrCc1ccc(N2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)c(Br)c1 2036445917 PJDURVIMOFMANA-WOJBJXKFSA-N 466.217 4.434 50 10 JIGE C=C[C@]1(CBr)COCCN1Cc1c(Br)cccc1Br 2135111975 OXNLTVGCDWAAAY-AWEZNQCLSA-N 454.000 4.364 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N[C@H](CBr)C2(C)CC2)cc1Br 2150537413 UMEKVNQCUKHZQY-GFCCVEGCSA-N 490.055 4.362 50 10 JIGE CC1(C)CO[C@H](CBr)CN1C(=O)c1cc(Br)cc(Br)c1 2167536233 WVACISACKKYNRN-GFCCVEGCSA-N 469.999 4.226 50 10 JIGE O=S(=O)(NC[C@@H](Br)CC(F)(F)F)c1ccc(Br)cc1Cl 2175687692 BASMSRMDBLNYHL-ZETCQYMHSA-N 459.509 4.097 50 10 JIGE CN1Cc2cc([C@@H](Br)c3cc(I)sn3)ccc2NC1=O 2176541335 YGTAQRAOSRAUIJ-GFCCVEGCSA-N 464.126 4.209 50 10 JIGE Cc1ccc(S(=O)(=O)N(C)[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)cc1CBr 2179791351 QAOMLCREHHDPPC-FXAWDEMLSA-N 451.430 4.173 50 10 JIGE CC(C)[C@@H]1CN(S(=O)(=O)c2ccc(CCBr)s2)CCN1Cc1ccccc1 2179817367 XDQBKYUVKAALRV-IBGZPJMESA-N 471.486 4.217 50 10 JIGE CC1(C)CN(S(=O)(=O)c2cccc(CBr)c2)CCCN1Cc1ccccc1 2193722210 RIAKYJKMCAVSMO-UHFFFAOYSA-N 451.430 4.257 50 10 JIGE CS(=O)(=O)[C@H]1C[C@H]([C@H](Br)c2cc(Br)ccc2Br)C1 2257532762 BKNSHVRVQQCZNJ-DXBFQKDVSA-N 461.013 4.471 50 10 JIGE O=S1(=O)CC[C@@H]1[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2260082697 GQFMNMQMJYNWIQ-SVRRBLITSA-N 468.939 4.113 50 10 JIGE C=CCNC(=O)C(C#N)=C1S[C@@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(OCC)cc1 2314593289 KXAUPPNXKWOOCE-NRFANRHFSA-N 467.978 4.467 50 10 JIGE CC(C)(CI)CN1CC[C@@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C1 2326674801 DWENMQOTKDMNKM-QWHCGFSZSA-N 478.337 4.473 50 10 JIGE O=C(N[C@H]1C[C@@H](CBr)[C@H]2C[C@@H]12)c1cc(Br)ccc1Br 2329877989 LOKCHAMTCPROQZ-YTDXRRJTSA-N 451.984 4.361 50 10 JIGE O=C(c1cc(Br)ccc1Br)N1C[C@H]2C[C@@H](CBr)[C@H]2C1 2330496002 WOJXYWPDROFSPU-YGOYTEALSA-N 451.984 4.315 50 10 JIGE COc1ccc(OC)c(-c2csc(C(C#N)=C(O)CCc3nc4ccccc4[nH]c3=O)n2)c1 2331326054 UUURHCZAVQUHMM-UHFFFAOYSA-N 460.515 4.489 50 10 JIGE O=C(Nc1cc(F)c(CBr)cc1F)c1cc(I)sn1 2342975778 RTERBMHYXPBKBS-UHFFFAOYSA-N 459.053 4.173 50 10 JIGE CC(C)(C)OC(=O)N1CC[C@@H](C(F)(F)F)N(C[C@@]2(CBr)CC2(F)F)CC1 2351884964 CBDBXIWOKHTMOF-FZMZJTMJSA-N 451.274 4.280 50 10 JIGE C[C@H](Br)CCc1cn(Cc2cc(I)ccc2Cl)nn1 2352348875 XZPXOVWRPLRDCZ-VIFPVBQESA-N 454.537 4.300 50 10 JIGE COc1ccc([C@@H]2C(C#N)=C3N=C(N)c4ccccc4N3C3=C2C(=O)CC(C)(C)C3)cc1OC 3654516 OLZGHXBKWFQSMT-HSZRJFAPSA-N 454.530 4.405 50 10 JIGE C/C(=N\NC(=O)c1nn(Cc2ccc(Cl)cc2)cc1Br)c1ccc([N+](=O)[O-])cc1 33304295 PGTCKSQBSGROPE-WSDLNYQXSA-N 476.718 4.410 50 10 JIGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4C)ccc32)cc1OC 38658411 SAXPLLXYZDGMKE-AREMUKBSSA-N 472.497 4.215 50 10 JIGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])c(C)c1 40869985 QTWLPBLCSGRPKB-FYJGNVAPSA-N 471.469 4.354 50 10 JIGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2ccc(-c3cccc(C(=O)O)c3C)o2)cc1 58894624 MMTLJTDBCNFWDL-WGLQLPMYSA-N 450.491 4.316 50 10 JIGE O=C(N/N=C1\C(=O)N(CCc2ccccc2)c2ccc(Br)cc21)c1ccc(F)cc1 59166904 LNKIEVUGJJIMLV-QLYXXIJNSA-N 466.310 4.312 50 10 JIGE O=C(C(Cl)Cl)N1CCN(c2nc3nccc(-c4ccc(C5CCCCC5)cc4)n3n2)CC1 95535893 XROWHROAXLJBGB-UHFFFAOYSA-N 473.408 4.291 50 10 JIGE O=C(NC1CCCCC1)[C@H](c1ccc(F)cc1)N(Cc1ccc2c(c1)OCO2)C(=O)CCl 97914578 KLLPQNLFQZGILI-QHCPKHFHSA-N 460.933 4.312 50 10 JIGE O=C(N/N=C1\C(=O)N(CCc2ccccc2)c2ccccc21)[C@H]1COc2cc3ccccc3cc2O1 103874648 JREAVWWFFWXDCK-OOBIRXJLSA-N 477.520 4.089 50 10 JIGE C[C@H](CCCBr)NS(=O)(=O)c1cc(Br)ccc1Br 136687520 HOKZRAGSTYQUJL-MRVPVSSYSA-N 464.017 4.054 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2[C@H]3CC[C@@H]2CC(Cl)C3)cc1Br 155820111 YMTOTERXAMNVOR-FGWVZKOKSA-N 457.615 4.443 50 10 JIGE O=C(c1cc(I)ccc1Br)N1[C@H]2CC[C@H]1CC(Cl)C2 236028190 YUXFLDXDNSMOGC-QWRGUYRKSA-N 454.533 4.428 50 10 JIGE C[C@H](C(=O)NN=Cc1ccccc1OCc1ccc(Br)cc1)n1nnc2ccccc21 245295533 GVCWSPNJXDYXIY-MRXNPFEDSA-N 478.350 4.484 50 10 JIGE O=C(NN=Cc1ccc([N+](=O)[O-])cc1)/C(=C\c1cccs1)NC(=O)c1ccccc1Cl 252620420 MDUSFGCZGNVEAE-DTOOKEJNSA-N 454.895 4.231 50 10 JIGE C[C@@H]1CCCN(C(=O)c2ccc(I)c(O)c2)[C@H]1CCBr 697197974 DKBYZZXZEKBTSP-MFKMUULPSA-N 452.130 4.023 50 10 JIGE COc1ccc(-c2nn(CCC#N)cc2/C=C(\C#N)C(=O)N[C@@H](C)c2nc(C)cs2)cc1OC 727678222 LZYHMAUGMCVJAK-HKJBKDEOSA-N 476.562 4.030 50 10 JIGE CCN(Cc1ccc(OC)cc1OC)C(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1 745843323 DESQAHBGVHISKX-PXLXIMEGSA-N 469.545 4.437 50 10 JIGE C/C(=C\c1c(Cl)cccc1Cl)C(=O)NNC(=O)COc1ccc(Br)cc1 1124151152 JRPYDNQYYVBMNO-PKNBQFBNSA-N 458.139 4.386 50 10 JIGE CC(=O)c1cc(C(=O)NNC(=S)Nc2cccc(Br)c2)ccc1OC(C)C 1624553891 IWSZADBLVLXQCP-UHFFFAOYSA-N 450.358 4.070 50 10 JIGE N#C/C(=C\c1ccccc1)C(=O)Nc1nc2ccc(S(=O)(=O)NC3CCCCC3)cc2s1 1859513930 SMBRHJABXJSQIZ-GHRIWEEISA-N 466.588 4.453 50 10 JIGE Cc1sc2ncn(CC(=O)NNC(=O)CCCc3ccc(Cl)cc3)c(=O)c2c1-c1ccccc1 1860769893 KQQSJKKDPRHBJD-UHFFFAOYSA-N 495.004 4.257 50 10 JIGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2c(F)cccc2Cl)ccc1O 1865681817 XRBKGUSTSXNJJW-OAQYLSRUSA-N 454.889 4.355 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc(Cl)c2)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1865714478 LOVHVZVQLFQIER-HNNXBMFYSA-N 477.786 4.376 50 10 JIGE CC[C@H](C)N1C(=O)c2ccc(C(=O)NNC(=O)c3ccc(-c4ccc(Cl)cc4)nc3C)cc2C1=O 1865755879 VJAYDANUZVSOKH-AWEZNQCLSA-N 490.947 4.180 50 10 JIGE CC(C)(C)OC(=O)N1C[C@H](OCCCOCc2ccccc2)[C@H](I)C1 1880150299 XSKVTPLNQWFWHD-SJORKVTESA-N 461.340 4.033 50 10 JIGE CC(CBr)(CBr)NC(=O)c1c(Br)cccc1Br 1945333210 MUNIPPZITVDPBC-UHFFFAOYSA-N 492.831 4.490 50 10 JIGE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(CCl)cc2)CCN1C(=O)OC(C)(C)C 1999363352 FVXRAIIMOXRZDG-UHFFFAOYSA-N 453.967 4.270 50 10 JIGE Cc1c(Br)sc([C@H](Br)[C@H]2[C@H]3CS(=O)(=O)C[C@H]32)c1Br 2054226816 MRQCSTHJTDMVHH-JVZYCSMKSA-N 479.053 4.308 50 10 JIGE O=S(=O)(c1cc(CBr)c(Cl)cc1Cl)N1CC(OCc2ccccc2)C1 2059293434 KDZDRMVYGZQWLK-UHFFFAOYSA-N 465.196 4.478 50 10 JIGE C#CC[C@@](C)(CBr)CNC(=O)c1csc(Br)c1Br 2084842593 PUZLRYORIDSIKI-LBPRGKRZSA-N 458.013 4.427 50 10 JIGE O=S(=O)(N[C@@H](CCBr)C1CC1)c1cc(Br)ccc1Br 2090424550 CIDRGZWDVZAXFI-NSHDSACASA-N 476.028 4.054 50 10 JIGE Oc1nc2cc([C@@H](Cl)c3cc(I)sn3)c(Br)cc2[nH]1 2120034187 XAVXVICQCYKNAC-SNVBAGLBSA-N 470.517 4.420 50 10 JIGE C[C@H]1CN(C(=O)c2ccc(Br)cc2I)C[C@H](C)C1Cl 2142289751 UACWCZNBWRYTDH-IUCAKERBSA-N 456.549 4.389 50 10 JIGE CCN1CCC[C@H]([C@H](Br)c2ccc(Br)cc2Br)S1(=O)=O 2145757687 GEYNCBXHUQZLCE-CHWSQXEVSA-N 490.055 4.462 50 10 JIGE CN(C[C@H]1C[C@@H]1Br)S(=O)(=O)c1cc(CBr)c(Cl)cc1Cl 2196937466 WKSKLZHHZFOCGZ-BDAKNGLRSA-N 466.022 4.292 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@H](Cl)CCC12CC2 2227471215 BVHKBWVJBOXRAC-SNVBAGLBSA-N 454.533 4.430 50 10 JIGE C[C@H]1[C@@H](C(F)(F)F)N(CC(C)(C)CI)CCN1C(=O)OC(C)(C)C 2306808604 BOSMFUYKYYNYRB-RYUDHWBXSA-N 464.310 4.320 50 10 JIGE CC(C)c1ccc(C=CC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 2325886246 VFMFWEKFMRQENC-DLBZAZTESA-N 478.618 4.128 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@H]2C[C@@H](CBr)[C@H]2C1 2333351334 XKOZHQSUWXTZNC-YGOYTEALSA-N 498.984 4.157 50 10 JIGE CC1(C)CN(Cc2ccc(Cl)cc2I)C[C@H](CBr)O1 2341010056 DRERAJWMJITWHL-LBPRGKRZSA-N 458.565 4.319 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CCN(Cc2ccccc2)C2(CC2)C1 2349647570 RDRUPACANPULMA-DEOSSOPVSA-N 495.711 4.134 50 10 JIGE Cn1nc(Br)c(Br)c1C(=O)N(CCBr)Cc1ccsc1 2364023888 GVOKVMIAQIOVGF-UHFFFAOYSA-N 486.027 4.044 50 10 JIGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4cccc(Cl)c4)c(=O)c32)c1OC 2217275 HTKBRZYGUYHCHJ-NRFANRHFSA-N 463.921 4.094 50 10 JIGE O=C(NC1CCCCC1)[C@H](c1ccc(F)cc1)N(C[C@H]1COc2ccccc2O1)C(=O)CCl 3037414 RHJVEGKZBSPXAW-RDPSFJRHSA-N 474.960 4.223 50 10 JIGE Cc1cc(Br)cc(Br)c1OCC(=O)N/N=C/c1ccc(N(C)C)cc1 12482776 UCPHQZUUBQVZQP-UFFVCSGVSA-N 469.177 4.115 50 10 JIGE CC(C)c1ccc(OCC(=O)NNC(=O)[C@H](C)Oc2ccccc2Cl)c(Br)c1 14026974 DOZKAQQVGAXOEL-ZDUSSCGKSA-N 469.763 4.220 50 10 JIGE COc1ccc2cc([C@H](C)C(=O)NNC(=O)[C@@H](C)Oc3cccc(Br)c3)ccc2c1 24312043 YGHHBMHSTMFLOU-LSDHHAIUSA-N 471.351 4.329 50 10 JIGE Nc1c(NNC(=O)c2ccc(Br)cc2)ncnc1Nc1cccc(C(F)(F)F)c1 40781935 JKGNKWIOVURRML-UHFFFAOYSA-N 467.249 4.341 50 10 JIGE CCOC(=O)c1cccc(Nc2ncnc(NNC(=O)C(c3ccccc3)c3ccccc3)c2N)c1 40794906 MHVVYKYAGLKXLD-UHFFFAOYSA-N 482.544 4.254 50 10 JIGE COc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccs2)CCC3)c(OC)c1 40823706 AOEIUZWSSOLDBO-PCLIKHOPSA-N 453.520 4.389 50 10 JIGE Cc1cccc(C)c1NC(=O)CSc1ccc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])o1 59507190 CAAYXVZJRWZNGG-FSJBWODESA-N 452.492 4.299 50 10 JIGE CCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1=O 214216438 DPYINHRXWNRBGD-HMAPJEAMSA-N 467.485 4.450 50 10 JIGE N#C/C(=C/NCCc1cccc(F)c1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216510245 HBTZFURXKUHYSP-ROMGYVFFSA-N 468.576 4.299 50 10 JIGE Cc1ccccc1OCC(=O)N[C@@H](C(=O)NN=Cc1ccc(OCc2ccccc2C#N)cc1)C(C)C 254822781 XZVCKKKUIMZUML-MUUNZHRXSA-N 498.583 4.116 50 10 JIGE COc1ccc(C(C)=NNC(=O)COc2c(C)cc(Br)cc2Br)cc1 1083954579 FATORZGGEUOLNV-UHFFFAOYSA-N 470.161 4.448 50 10 JIGE COC(=O)c1ccc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2C)CCC3)cc1 1772743447 ATSNGYVIKOWJLF-UHFFFAOYSA-N 460.486 4.373 50 10 JIGE COc1ccc(CNC(=O)[C@H](Br)Cc2ccccc2Br)cc1OC 1858181346 MZHDESSPBVKTOV-OAHLLOKOSA-N 457.162 4.089 50 10 JIGE N#CSc1ccc(NC(=O)Nc2ncccc2OCCCN2C(=O)c3ccccc3C2=O)cc1 1858858645 AREDKEWVIOMMLP-UHFFFAOYSA-N 473.514 4.364 50 10 JIGE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1cc(OC)c(OC)c(OC)c1)C(C#N)=C(N)O2 1865693342 VAVBGYSGXBJQJP-QHCPKHFHSA-N 474.561 4.355 50 10 JIGE Cc1ccc(C(=O)CCC(=O)NNC(=O)c2ccc(-c3ccc(F)cc3F)nc2C)c(C)c1 1865759612 JRUQAEMOOWJWFO-UHFFFAOYSA-N 451.473 4.376 50 10 JIGE CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1 1873795157 UMVLTEOJCHMEKG-KXWHUPIZSA-N 471.579 4.002 50 10 JIGE CS(=O)(=O)c1csc([C@H](Br)c2csc(I)c2)c1 1944541913 PYNMJJNFGKRDBS-SNVBAGLBSA-N 463.181 4.302 50 10 JIGE N#CC(=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1nnc(N2CCOCC2)n1-c1ccccc1 2053504864 LJGRXBVWPVYCKK-UHFFFAOYSA-N 468.473 4.336 50 10 JIGE C[P@@]1(=O)C[C@H](NC(=O)c2cc(Br)ccc2Br)[C@@H](Br)C1 2121336234 FPVOHSFAUPPWKU-ADWYPQAOSA-N 473.927 4.080 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@@H]2CC(Cl)C[C@H]2C1 2142278241 AIUYZZIWJLVQGE-IUCAKERBSA-N 454.533 4.143 50 10 JIGE Cc1cc(CBr)ccc1S(=O)(=O)N1C[C@@H](C)N(Cc2ccccc2)C[C@H]1C 2179786480 AYQZAPXYZUXEPO-QZTJIDSGSA-N 451.430 4.173 50 10 JIGE Cc1ccc(CBr)cc1S(=O)(=O)N1C[C@H](C)N(Cc2ccccc2)C[C@H]1C 2179789953 XUOAWZPSNWDOPA-ZWKOTPCHSA-N 451.430 4.173 50 10 JIGE C[C@@]12CN(Cc3ccccc3)C[C@@]1(C)CN(S(=O)(=O)c1ccsc1CBr)C2 2179868070 FHPDMDQHHFOIGG-PMACEKPBSA-N 469.470 4.176 50 10 JIGE C=C[C@@]1(CBr)COCCN1C(=O)c1cccc(Br)c1Br 2199853818 YHGQJBMVTMWPDO-CQSZACIVSA-N 467.983 4.004 50 10 JIGE CN(C[C@@H](Br)COCc1ccccc1)S(=O)(=O)Cc1ccccc1Br 2218984446 RKQDGAPUIXEEKD-QGZVFWFLSA-N 491.245 4.191 50 10 JIGE CC(C)(C)OC(=O)N1[C@H]2CSC[C@H]1CC1(CCC[C@@H](CI)O1)C2 2244161578 DUOAOEMCALLCGC-MCIONIFRSA-N 453.386 4.244 50 10 JIGE O=C(N[C@@H](CBr)c1ccsc1)c1c(F)cccc1I 2267661484 WYSHWAFZQCHHLR-NSHDSACASA-N 454.102 4.358 50 10 JIGE COCCn1c(C)cc(C=C(C#N)C(=O)OCC(=O)Nc2ccccc2SC(F)F)c1C 2297432491 QPFOQNVKFYZXDD-UHFFFAOYSA-N 463.506 4.155 50 10 JIGE CCOc1ccc(-c2csc(C(C#N)=C(O)CNS(=O)(=O)c3ccc(C)cc3)n2)cc1 2331305924 OJRZBTNCPCBXJZ-UHFFFAOYSA-N 455.561 4.288 50 10 JIGE Cc1cc(Br)ccc1C(=O)NCC(F)(F)C(F)(F)CI 2361686610 JMPYJYADCKCSFF-UHFFFAOYSA-N 468.026 4.193 50 10 JIGE CC(C)[C@H](Br)C(C)(C)CNC(=O)Cc1ccccc1I 2365990205 DKAQGEYUKDAXKY-HNNXBMFYSA-N 452.174 4.396 50 10 JIGE CC(C)(C)OC(=O)N[C@]12CCC(F)(F)C[C@@H]1CN(C[C@]1(CBr)CC1(F)F)C2 2379984247 LLQWQALSLQTTEX-WQVCFCJDSA-N 459.322 4.421 50 10 JIGE COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(C)n(CCc3ccccc3)c(=O)c21 2218689 RYSALFBVHWXAQI-JOCHJYFZSA-N 492.373 4.389 50 10 JIGE CCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc([C@H](C)CC)cc2)cc1 14029802 ICYDLIOOJWVBKJ-GOSISDBHSA-N 471.623 4.484 50 10 JIGE CCCOc1ccc(C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 14031047 NNNQNBXJWWJSFK-UHFFFAOYSA-N 463.372 4.375 50 10 JIGE Cc1ccc(OCC(=O)NNC(=O)c2ccc(OCCOc3ccccc3)cc2)c(Br)c1 14039501 BOUKDIKOBVZCDX-UHFFFAOYSA-N 499.361 4.055 50 10 JIGE Cc1cccc(Cl)c1COc1ccc(/C=N/NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)o1 20291571 IDDRWLDSBVTVOR-LSHDLFTRSA-N 458.814 4.401 50 10 JIGE O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)N/N=C\c1ccc(Br)cc1 31829184 BZZADAUCRSLEEK-VROXFSQNSA-N 467.348 4.038 50 10 JIGE Cc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C(/C#N)C(=O)NCCc1ccccc1 33888571 RUEICKHNIDHFRZ-XLNRJJMWSA-N 464.525 4.370 50 10 JIGE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OC)c2OC)cc1 38659024 FFHUBNNFKBTVQB-RUZDIDTESA-N 472.497 4.079 50 10 JIGE CCN(c1ccccc1)c1ncnc(NNC(=O)c2ccccc2Br)c1[N+](=O)[O-] 40573475 SVOZSOAEVNZIHR-UHFFFAOYSA-N 457.288 4.062 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)NC[C@@H](Br)C(C)C)cc1Br 126956444 SSSVIYOZGABEHR-LLVKDONJSA-N 478.044 4.218 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)NC[C@@H](C)CCBr)cc1Br 136697603 CYLBXQGWNFNCLT-QMMMGPOBSA-N 478.044 4.219 50 10 JIGE CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C/c2ccc(OCC)c(OC)c2)c(OC)c1 206233797 PGGYFMVIEOXHAM-VIVFWABWSA-N 451.475 4.191 50 10 JIGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)/C=C\c1cccc([N+](=O)[O-])c1 206682728 ZJXVKSDZBOOYKW-KTZSODNASA-N 487.468 4.429 50 10 JIGE COCCO[C@H]1[C@@H](Oc2c(Br)cccc2Br)C[C@H]1Br 234723550 NQTZLFIILXIQFH-NTZNESFSSA-N 458.972 4.158 50 10 JIGE COc1ccc(NC(=O)C(=O)NN=Cc2c(OC(=O)c3ccc(OC)cc3)ccc3ccccc23)cc1 254790360 FGXRFUTWFMCPNQ-UHFFFAOYSA-N 497.507 4.165 50 10 JIGE CC[C@H](C)N(CCBr)S(=O)(=O)c1cc(Br)ccc1Br 311899993 AFLYKEYTXDWASL-VIFPVBQESA-N 478.044 4.396 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CCC[C@@H](Br)CC1 378688295 GNPDUPPZCCDQQE-SECBINFHSA-N 486.973 4.443 50 10 JIGE Nc1ccc(I)cc1[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CCl 382731165 UOJVUTPWULSXRN-YOEHRIQHSA-N 470.738 4.464 50 10 JIGE CC(C)(C)[C@H](CBr)Cn1cnc(I)c1I 389373958 NKALRJJFRPMXST-SSDOTTSWSA-N 496.956 4.150 50 10 JIGE N#CCCn1cc(/C=C(/C#N)C(=O)NC[C@H]2Cc3ccccc3O2)c(-c2ccc(Cl)cc2)n1 914739631 BDIXSDRWSDCPQP-BHSBJAHRSA-N 457.921 4.144 50 10 JIGE Cc1cc(OCC(=O)NN=Cc2cccc(Br)c2)nc(SCc2ccccc2)n1 1084098757 BQSMZECIFLWSPR-UHFFFAOYSA-N 471.380 4.369 50 10 JIGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCC#N)c(Br)c2)cc1 1084624520 UIPGKYLERHUASD-IBGZPJMESA-N 494.773 4.367 50 10 JIGE C=CCn1c(SCC(=O)NNc2ncccc2F)nnc1-c1ccc(Cl)cc1Cl 1635132527 NDWFRQZPDBUGDB-UHFFFAOYSA-N 453.330 4.207 50 10 JIGE C#CCC1(O)CCN(C(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)CC1 1644429518 WIVWBOLSXYWTHD-XSFVSMFZSA-N 455.480 4.397 50 10 JIGE CCC[C@@H](NC(=O)CCCc1ccc2c(c1)OCCO2)C(=O)Nc1ccc(SC#N)cc1 1866788882 GIJUZXUHZDWTPH-HXUWFJFHSA-N 453.564 4.277 50 10 JIGE O=C(CCc1nc2ccccc2[nH]c1=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1 1873496158 GLXZFMONRBZBIJ-JFLMPSFJSA-N 460.921 4.238 50 10 JIGE CCOc1cc(/C=N/NC(=O)[C@H](C)NC(=O)OC(C)(C)C)ccc1OCc1ccc(C)cc1 1873793273 GPPAAJWTUYQNBT-CMPFEXHJSA-N 455.555 4.336 50 10 JIGE O=C(O)C=Cc1cc(Br)cc(Br)c1OC[C@H]1C[C@@H]1Br 1887908244 OWCJTQIGXZTXEF-SCZZXKLOSA-N 454.940 4.472 50 10 JIGE CSCC[C@H](C(=O)NN(Cc1ccccc1)Cc1ccccc1)N1C(=O)c2ccccc2C1=O 1923394511 RFXWXSGDJIRHGH-XMMPIXPASA-N 473.598 4.138 50 10 JIGE O=C(c1csc(Br)c1Br)N1C[C@H](Br)C[C@]2(CCCO2)C1 1924242303 PJZPZKDGQBHWDG-AMIZOPFISA-N 488.039 4.432 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1C[C@H]2CC[C@@H]([C@@H]1F)N2C(=O)OC(C)(C)C 2016175570 MENKFYNOZBRZNE-LTIDMASMSA-N 479.684 4.361 50 10 JIGE N#CC(=Cc1cccc(C=C(C#N)C(=O)NCCc2ccccc2)c1)C(=O)NCCc1ccccc1 2053614732 IKNWBQZQTVSTEX-UHFFFAOYSA-N 474.564 4.218 50 10 JIGE CCOc1ccc(OC(F)(F)F)c(I)c1C(=O)CBr 2055052455 RPJWOHBBAQUYMH-UHFFFAOYSA-N 452.992 4.166 50 10 JIGE COc1cccc(-n2c(C)nc(I)c2I)c1CCl 2083006074 LUEFMQPCUCKAOT-UHFFFAOYSA-N 488.494 4.137 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1CC[C@@H]2[C@H](CBr)[C@@H]2C1 2093137992 PKNKDHXCTNBBGL-ADEWGFFLSA-N 454.533 4.048 50 10 JIGE O=S(=O)(NCC1CC(CBr)C1)c1c(Cl)cc(Br)cc1Cl 2168560190 PIGUCGNRSWZJOW-UHFFFAOYSA-N 466.022 4.455 50 10 JIGE O=C(c1cccc(F)c1I)N1[C@H]2CC[C@@H]1C[C@H](CBr)C2 2184585537 LZZCZZPPRCXLQU-JGPRNRPPSA-N 452.105 4.208 50 10 JIGE Cc1cc(S(=O)(=O)N2CCC[C@@H](OCc3ccccc3)C2)cc(CBr)c1F 2186382781 XALIPWYFGADACT-GOSISDBHSA-N 456.377 4.399 50 10 JIGE Cc1ccc(I)c(C(=O)NC[C@@H](Br)CC(F)(F)F)c1 2232167295 TULCTARRTLJDFH-QMMMGPOBSA-N 450.036 4.045 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N1CC=CC[C@@H]1CBr 2277930693 VAKJGGVTWLESFF-CYBMUJFWSA-N 451.984 4.306 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N[C@H]1CCC[C@H]1CBr 2277936595 NTVHUICTJYUYTQ-GWCFXTLKSA-N 454.000 4.434 50 10 JIGE CCOC(=O)[C@H]1CCCN(c2nc3c(C)cccn3c(=O)c2C=C(C#N)c2nc3ccccc3s2)C1 2296731433 WUJKBHUXPUXFDZ-SFHVURJKSA-N 499.596 4.456 50 10 JIGE N#CC(=Cc1ccccc1OCc1cccc([N+](=O)[O-])c1)C(=O)N1CCN(c2ccccc2)CC1 2313568291 TZAOYRAXGSFPBU-UHFFFAOYSA-N 468.513 4.430 50 10 JIGE C=CCNC(=O)C(C#N)=C1S[C@@H](Cc2ccc(CC)cc2)C(=O)N1c1ccc(OCC)cc1 2314593781 SQJZNUFEHCIGEE-QHCPKHFHSA-N 461.587 4.376 50 10 JIGE COc1cc(C=C(C#N)S(=O)(=O)c2ccccc2)ccc1OCC(=O)Nc1ccc(C)cc1 2331030340 FGFUXYOMFRLHHI-UHFFFAOYSA-N 462.527 4.360 50 10 JIGE C=CC[C@@H](Cl)[C@H]1CCN1C(=O)c1ccc(I)c(Br)c1 2335814506 OZFMYIWHMHBQTL-DGCLKSJQSA-N 454.533 4.452 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CCC2CC1(CBr)C2 2336445327 SXTXUBJLOPWJLF-UHFFFAOYSA-N 498.984 4.443 50 10 JIGE C[C@@]1(NC(=O)c2sccc2I)C[C@H]2CC[C@H]1C[C@@H]2Br 2352774738 DBTIHCZEYCERAU-MAGOMRGPSA-N 454.171 4.425 50 10 JIGE COc1ccc(/C=N/NC(=O)c2cccnc2)cc1COc1ccc(C(=O)OCC(C)C)cc1 3584882 DBQGUXDUXRYZJR-CCVNUDIWSA-N 461.518 4.246 50 10 JIGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)/C(C#N)=C\c1ccccc1 33777021 PCVDHYSUKOARHT-LZGPLHLBSA-N 467.481 4.414 50 10 JIGE Cc1ccc(Nc2ncnc(NNC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2[N+](=O)[O-])cc1C 40590171 IZROVZZBLZSGRR-UHFFFAOYSA-N 457.834 4.064 50 10 JIGE Nc1c(NNC(=O)c2ccc(Br)cc2)ncnc1Sc1cccc2cccnc12 40784583 HWKZOMWQSTVPKW-UHFFFAOYSA-N 467.352 4.278 50 10 JIGE O=C(Cn1cnc2ccccc21)N/N=C1\C(=O)N(Cc2cccc3ccccc23)c2ccccc21 59181213 ULECBZLJFKRSNX-QVTSOHHYSA-N 459.509 4.257 50 10 JIGE Cc1sc(Br)cc1S(=O)(=O)N[C@@H]1c2ccccc2C[C@H]1Br 137002280 GPCDTOSAZPHULJ-BXUZGUMPSA-N 451.205 4.158 50 10 JIGE Cc1cc(Br)c(OCC(=O)NN=Cc2ccc(N(C)C)cc2)c(Br)c1 252598904 DEHWSZGEIJUKHD-UHFFFAOYSA-N 469.177 4.115 50 10 JIGE CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=C/C=C\c2ccc([N+](=O)[O-])cc2)cc1 254350983 USLSIEKCVGLZAW-FWRUIAMWSA-N 483.528 4.247 50 10 JIGE COc1ccc(C=NNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)cc2)cc1 254449150 DONOSUIKOCGBRM-UHFFFAOYSA-N 457.559 4.494 50 10 JIGE COc1cc(C=NNC(=O)CSc2nc3ccccc3n2Cc2ccc(C)cc2)cc(OC)c1O 254840557 FIIKCHNVKMPXJG-UHFFFAOYSA-N 490.585 4.358 50 10 JIGE C[C@H](Br)C[C@H]1CCCCN1C(=O)c1ccc(I)c(O)c1 312442791 XELVCXMNGCTJIO-CMPLNLGQSA-N 452.130 4.165 50 10 JIGE COc1ccc(C=NNC(=O)c2ccccc2NC(=O)c2ccc(Br)cc2)cc1OC 725410929 LLZVIJSSAXYHRQ-UHFFFAOYSA-N 482.334 4.483 50 10 JIGE C#CCOc1ccc(Br)cc1C=NNC(=O)[C@@H](C)Nc1nc2ccccc2s1 730583043 IGMWZORDJIFXBO-CYBMUJFWSA-N 457.353 4.022 50 10 JIGE O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NN=Cc1cccnc1 1083904753 LSMMJNHZEKBISU-UHFFFAOYSA-N 496.898 4.099 50 10 JIGE C=CCN(c1ccc(C(=O)NN=C(C)c2ccc(OC)cc2)cc1)S(=O)(=O)c1ccccc1 1083931861 RPVMCMVZCBLGJQ-UHFFFAOYSA-N 463.559 4.231 50 10 JIGE O=C(Cc1ccccc1)NN=C1C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21 1084348473 SXMCWHXRYRCGHX-UHFFFAOYSA-N 466.310 4.198 50 10 JIGE COC[C@@H](C)NC(=O)c1oc2c(c1C)C(=NNC(=O)Cc1coc3cc(C)cc(C)c13)CCC2 1772751727 KZTVYHKRYXRKJS-MRXNPFEDSA-N 465.550 4.115 50 10 JIGE O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)N/N=C/c1ccc(Br)cc1 1860772628 BZZADAUCRSLEEK-YSURURNPSA-N 467.348 4.038 50 10 JIGE COc1ccc(CCC(=O)N/N=C2\C(=O)N(Cc3ccccc3Cl)c3ccccc32)cc1OC 1860822720 KSNDMIUTTDYXTP-GNVQSUKOSA-N 477.948 4.357 50 10 JIGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@@H](c2cccc([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865706438 WTAHSTRIEAAAEK-NRFANRHFSA-N 466.457 4.069 50 10 JIGE COc1ccc(-c2nn(CC(C)C)c3c2[C@@H](c2cc(OC)c(OC)cc2OC)C(C#N)=C(N)O3)cc1 1865711503 ABRXZUQNTWGJDF-QHCPKHFHSA-N 490.560 4.459 50 10 JIGE CC(C)(C)OC(=O)N1C[C@H](I)[C@H](OCCCOCc2ccccc2)C1 1880150296 XSKVTPLNQWFWHD-DLBZAZTESA-N 461.340 4.033 50 10 JIGE C[C@@H](Br)[C@H]1CCN(c2ncc(I)cc2Br)C1 1988535373 XBAMTCHWZXQQSR-SFYZADRCSA-N 459.951 4.058 50 10 JIGE CCSC[C@H](C)N(C)S(=O)(=O)c1cc(CBr)sc1Br 2123201245 ULSLOHAJMOLJCS-QMMMGPOBSA-N 451.271 4.168 50 10 JIGE FC(F)(F)[C@H]1CN(c2ncc(I)cc2Br)C[C@@H]1CCl 2133385995 ZIDRPWDSCKSCMP-XPUUQOCRSA-N 469.470 4.302 50 10 JIGE C=C[C@@]1(CBr)COCCN1Cc1cc(Cl)ccc1I 2135110940 HSGMPDQVUBONSF-CQSZACIVSA-N 456.549 4.097 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@H](Br)[C@H](C2CC2)C1 2142278645 GEDOUWDEAOIGIR-RYUDHWBXSA-N 498.984 4.299 50 10 JIGE CN(C1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)S(=O)(=O)c1ccsc1CBr 2179870057 GRBCNRUZBGJMCI-JWTNVVGKSA-N 469.470 4.459 50 10 JIGE C[C@@H]([C@H](Br)c1c(F)cc(Br)c(F)c1Br)S(C)(=O)=O 2259998175 AGIDZQAGBFTSCG-NVNXEXLPSA-N 470.955 4.359 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N1CCS[C@H](CCBr)C1 2295317223 KCZUXNMXMJPLDB-CYBMUJFWSA-N 486.067 4.483 50 10 JIGE CC(C)(CI)CN1CCCCN(C(=O)OC(C)(C)C)CC(F)(F)C1 2306810921 YMGCHCPVYWICBA-UHFFFAOYSA-N 460.347 4.416 50 10 JIGE COc1ccc(C(C#N)=Cc2cccc(OC(=O)[C@@H](C)N3C(=O)c4ccccc4C3=O)c2)cc1 2320511434 VYCXNZQENJSEKB-QGZVFWFLSA-N 452.466 4.349 50 10 JIGE C[C@@H](C(=O)NN=Cc1ccc(C(F)(F)F)cc1)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 2325903185 DDOMPHDTEJGGMG-OLZOCXBDSA-N 462.497 4.313 50 10 JIGE CC[C@H](Oc1ccccc1[C@@H](C)CC)C(=O)NNC(=O)c1ccccc1I 10682128 BIQRUZRWORFSHI-KSSFIOAISA-N 480.346 4.423 50 10 JIGE Cc1cc(Cl)ccc1OCC(=O)NNC(=O)c1cc(Br)ccc1OC(C)C 14667991 MVXNFXUDCNKJPD-UHFFFAOYSA-N 455.736 4.038 50 10 JIGE CCOc1ccc(NC(=O)CCC(=O)NNC(=O)[C@H](CC)Oc2ccc(-c3ccccc3)cc2)cc1 14768663 LBAKRDQLLRLNBS-VWLOTQADSA-N 489.572 4.476 50 10 JIGE O=C(N/N=C/c1ccccc1OCc1ccccc1)c1ccn(Cc2ccc([N+](=O)[O-])cc2)n1 20522849 PZRMBEHYKWMBJU-WGOQTCKBSA-N 455.474 4.183 50 10 JIGE Nc1c(NNC(=O)c2ccccc2Br)ncnc1Nc1ccc(F)c(Cl)c1 40784983 JROKKOQGQDNYOU-UHFFFAOYSA-N 451.687 4.114 50 10 JIGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2cc(Cl)ccc2Cl)c(OC)c1 40853335 YRSIPDTZIOBUFM-RIYZIHGNSA-N 450.274 4.456 50 10 JIGE COc1ccc(C(=O)Oc2ccc(/C=C(/C#N)C(=O)Nc3ccc([N+](=O)[O-])cc3O)cc2OC)cc1 89438767 VKRMNZNBZLPKKJ-BOPFTXTBSA-N 489.440 4.082 50 10 JIGE O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)c1cccc(I)c1 100449501 WISOBUYRTUOKFW-UHFFFAOYSA-N 493.128 4.218 50 10 JIGE CC[C@H]1[C@@H](CBr)CCN1S(=O)(=O)c1cc(Br)ccc1Br 385967668 ZTSWBHZHEMZDMN-SKDRFNHKSA-N 490.055 4.396 50 10 JIGE Cn1ncc(Br)c1[C@@H](Br)c1cc(I)cc2c1OCC2 710306420 ZJTSVMPBJWVPPC-NSHDSACASA-N 497.956 4.206 50 10 JIGE C[C@@H]1CC[C@H](Br)CN1C(=O)c1ccc(I)c(Br)c1 721615024 BZSDCSPJNBTVEZ-SCZZXKLOSA-N 486.973 4.442 50 10 JIGE Cc1c(Cl)cccc1NC(=O)CCNC(=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1 726259703 GENNAEBCCFLLAL-UHFFFAOYSA-N 498.942 4.339 50 10 JIGE C=CCOc1ccc(C=NNC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)cc1 1083998312 CGYBDBHWSGRJGW-UHFFFAOYSA-N 477.586 4.214 50 10 JIGE C[C@H](Sc1ccc(Cl)cc1)C(=O)NN=Cc1ccc(OCC(=O)N2CCCCC2)cc1 1084067083 XZNCWAMOXQZYBD-KRWDZBQOSA-N 459.999 4.362 50 10 JIGE Cc1nn(-c2ccccc2)c(N(C)C)c1C=NNC(=O)CCCNc1ccc(Br)cc1 1084271536 JLSWIDUWHDOZNE-UHFFFAOYSA-N 483.414 4.352 50 10 JIGE C#CCOc1c(Br)cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc1Br 1084591859 BHRJYDGPTDZPFA-SFHVURJKSA-N 494.183 4.188 50 10 JIGE COc1cccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)c1OC 1614809460 GIXGVAOCVGOGHU-WMZOPIPTSA-N 481.330 4.491 50 10 JIGE C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)NNc1ccc(Br)cc1C(F)(F)F 1628118865 OBMJQICCALTYJC-NSHDSACASA-N 454.246 4.426 50 10 JIGE CCc1ccc(-c2ccc(C(=O)NNC(=O)c3ccc4c(c3)C(=O)N([C@@H](C)CC)C4=O)c(C)n2)cc1 1865758721 OBPSJBPBVYUZJJ-INIZCTEOSA-N 484.556 4.089 50 10 JIGE CCOC(=O)c1cnn(-c2ccc(Cl)cc2)c1NC(=O)/C(C#N)=C/c1ccc(OC)cc1 1866126549 YQKFEJTWVBHIET-FOWTUZBSSA-N 450.882 4.257 50 10 JIGE CS(=O)(=O)C1([C@H](Br)c2cc(Br)c(Br)s2)CC1 1979975833 XWZPZWRLQNPBLJ-SSDOTTSWSA-N 453.015 4.286 50 10 JIGE C[C@@]12CN(c3ncc(I)cc3Br)C[C@@]1(CBr)C2 2015757326 RXJOQHYXRDPLLM-NEPJUHHUSA-N 471.962 4.060 50 10 JIGE C=CC[C@H](CBr)NC(=O)c1cc(Br)ccc1I 2019474643 HQZOUYLIEDQIIQ-SECBINFHSA-N 472.946 4.123 50 10 JIGE C[C@@H]1CN(Cc2ccc(I)c(Cl)c2)C[C@@H](CCBr)O1 2142951181 XWGSTHZQSXQONB-ZYHUDNBSSA-N 458.565 4.319 50 10 JIGE O=S(=O)(C[C@@H](Cl)c1cc(I)ccc1Br)N1CCCCC1 2145641177 JRPRELZQDYRBKH-CYBMUJFWSA-N 492.604 4.149 50 10 JIGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1C[C@@H](Br)C(F)(F)C1 2152097053 UHLQCJODHRWHMF-MRVPVSSYSA-N 473.948 4.159 50 10 JIGE CC1(C)C[C@](C)(CBr)CN1C(=O)Cc1ccccc1I 2199554081 MVDFZXVJZMZGJM-MRXNPFEDSA-N 450.158 4.246 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CC(CCCBr)C1 2222859447 MRXQEDKYCLGPRL-UHFFFAOYSA-N 486.973 4.301 50 10 JIGE CC1(C)CN(C(=O)c2ccc(Cl)c(I)c2)C[C@@H]1CBr 2268352162 NWAVGRUYRCHYHP-JTQLQIEISA-N 456.549 4.438 50 10 JIGE COC[C@](C)(CCBr)NC(=O)Cc1cc(Br)cc(Br)c1 2295309763 NNINFOHESDRAKA-AWEZNQCLSA-N 472.015 4.060 50 10 JIGE Cc1cc(C=C(C#N)C(=O)NCc2ccccc2Cn2cncn2)c(C)n1-c1ccc(F)cc1 2297443415 VAVYRPZDXWSDJJ-UHFFFAOYSA-N 454.509 4.096 50 10 JIGE Cc1cc(I)ccc1NC=C(C#N)C(=O)Nc1ccc(N)c(Cl)c1 2325388036 CRLNKFKUVCHDFD-UHFFFAOYSA-N 452.683 4.293 50 10 JIGE CC[C@@]1(CBr)COCCN1Cc1ccc(Cl)cc1I 2341048257 JADJYKFHXPUWDC-CQSZACIVSA-N 458.565 4.321 50 10 JIGE COC[C@@]1(CBr)C=CCN1Cc1c(Br)cccc1Br 2351706197 BWXRVEGPASIKRN-AWEZNQCLSA-N 454.000 4.364 50 10 JIGE CCC(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(OCCC(C)C)c(Br)c2)cc1 14645614 ROICOIOOFFUEOW-UHFFFAOYSA-N 476.371 4.297 50 10 JIGE COc1cccc(/C(C)=N\NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2C)c1 34869833 LNPBMJRSBFHALA-VEILYXNESA-N 472.570 4.335 50 10 JIGE O=C(NNc1ncnc(N(Cc2ccccc2)Cc2ccccc2)c1[N+](=O)[O-])c1ccc(F)cc1 40607324 KMAREGDSSFWUQK-UHFFFAOYSA-N 472.480 4.488 50 10 JIGE Cc1c(C(=O)N(C)Cc2ccccc2)oc2c1/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)CCC2 40813070 QRLJWSXGRPPUEK-LHLOQNFPSA-N 460.490 4.239 50 10 JIGE O=C(N/N=C/c1cccc(Cl)c1Cl)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 59391178 IRSSKKBFMQZQQY-JZKLSJHFSA-N 455.139 4.259 50 10 JIGE O=C(NC[C@@H]1CCC[C@H]1CBr)c1cc(Cl)ccc1I 236065821 RAPLAGQGSJYREW-UWVGGRQHSA-N 456.549 4.486 50 10 JIGE O=C(NN=Cc1ccc(Sc2nc3ccccc3c(=O)n2-c2ccccc2)o1)c1ccncc1 252589674 AMIZSLDKPQGFGL-UHFFFAOYSA-N 467.510 4.289 50 10 JIGE CCOc1cc(C=NNC(=O)c2ccncc2)ccc1OC(=O)c1ccc(Br)cc1 252620056 LWRLMANTLYTLAG-UHFFFAOYSA-N 468.307 4.226 50 10 JIGE COc1ccc(Br)cc1C=NNC(=O)[C@@H](C)Oc1ccc(Br)cc1 254479963 CCAUPFZNWQOHBX-LLVKDONJSA-N 456.134 4.138 50 10 JIGE Cn1ncc([C@H](Br)Cc2cccc(Br)c2)c1I 379175134 QGFXTNNUAMSLQS-LLVKDONJSA-N 469.946 4.466 50 10 JIGE CC(C)c1ccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)cc1 1083893676 IMSLTRCVIQIXHT-FQEVSTJZSA-N 486.572 4.155 50 10 JIGE O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)NN=Cc1cccc(Cl)c1 1084403689 GWCJUOUKZHLVLJ-UHFFFAOYSA-N 462.358 4.339 50 10 JIGE CC(=NNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1)c1ccc(F)cc1 1084492409 CHEWBHUGUFVABR-UHFFFAOYSA-N 457.502 4.009 50 10 JIGE CCN(CC)c1ccc(/C=N/NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 1860773869 IDGXEAIOOUPBCR-ZQCMXSIRSA-N 465.623 4.140 50 10 JIGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(OC)c(O)c1)C(C#N)=C(N)O2 1865682153 HMMYMEYQFOJJCW-OAQYLSRUSA-N 450.926 4.470 50 10 JIGE CCOc1cc(I)c(OC(F)(F)F)c(C(=O)CBr)c1 2055083885 STNJEQDDNHLCLZ-UHFFFAOYSA-N 452.992 4.166 50 10 JIGE C[P@]1(=O)C[C@@H](Br)[C@H](NC(=O)c2csc(Br)c2Br)C1 2057715286 ATXDTBRRKKGASF-TXLFOSJXSA-N 479.956 4.142 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CN(Cc2ccccc2)C2(CCOCC2)C1 2061262396 NZJBPUGXOGWRHL-OAQYLSRUSA-N 481.728 4.306 50 10 JIGE O=C(N[C@@H]1COC2(CCC2)[C@@H]1Br)c1scc(Br)c1Br 2141558685 QSHZOTMAWVDYIV-GMSGAONNSA-N 474.012 4.088 50 10 JIGE C[C@H]1CCCN(C(=O)c2cc(I)ccc2F)[C@@H]1CCBr 2169668789 UKDWSXWGUXWRGU-IINYFYTJSA-N 454.121 4.456 50 10 JIGE CC[C@@H](Br)[C@@H]1CCCCN1C(=O)c1cc(I)ccc1O 2170617715 XNRWYSAKUJMGKJ-OLZOCXBDSA-N 452.130 4.165 50 10 JIGE CN(CCc1cccs1)S(=O)(=O)c1cc(CBr)sc1Br 2179791769 WEPMIVXRZYUPLW-UHFFFAOYSA-N 459.250 4.330 50 10 JIGE Cc1nn(CCCBr)c(C)c1S(=O)(=O)N(Cc1ccccc1)CC1CCC1 2179825848 LZNWTEVZRQHRRZ-UHFFFAOYSA-N 454.434 4.276 50 10 JIGE Cc1cc(CBr)cc(S(=O)(=O)N2CC=C(Br)CC2)c1Br 2179834185 HODPXXSHECRILN-UHFFFAOYSA-N 488.039 4.326 50 10 JIGE O=C(c1c(F)cccc1I)N1C[C@H](Br)C2(CCCC2)C1 2282794566 LROUMXHJNVOQKC-LBPRGKRZSA-N 452.105 4.210 50 10 JIGE Clc1cc(CN2C[C@@H]3CC[C@@H](CBr)O[C@H]3C2)ccc1I 2289171865 GUNXKJBQFXSCJR-HUBLWGQQSA-N 470.576 4.319 50 10 JIGE COc1cccc(C=C(C#N)C(=O)Nc2ccc(O)cc2)c1OCC(=O)Nc1ccc(C)cc1 2294644341 KUUYIDJFUXEEFI-UHFFFAOYSA-N 457.486 4.272 50 10 JIGE CC(C)(C)OC(=O)N[C@@]12CCC(F)(F)C[C@@H]1CN(CCCCI)C2 2303901500 JTQQGIYKWQPRDR-CZUORRHYSA-N 458.331 4.216 50 10 JIGE CCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccccc2C(C)(C)C)c(OC)c1 2314737421 JEHAEXRZQUJTFE-UHFFFAOYSA-N 450.535 4.410 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC[C@@H]2C[C@H]3[C@@H](C2)C3(F)F)C1 2320758111 JXQVRHOFHVVGDB-UMPJEAMMSA-N 471.326 4.499 50 10 JIGE COc1ccc(-c2ccc(C(=O)NN=Cc3ccc(Cl)c([N+](=O)[O-])c3)c(C)n2)cc1OC 2321248511 LFUUDRQBRDZFGB-UHFFFAOYSA-N 454.870 4.400 50 10 JIGE Cc1cc(I)ccc1NC(=O)C(C#N)=CNCc1ccc(Cl)cc1 2325406039 NWESPHWAIDOLBI-UHFFFAOYSA-N 451.695 4.389 50 10 JIGE C[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccccc1OCc1ccc(Br)cc1 2328818659 DUTUDXVAEDSTHN-HNNXBMFYSA-N 476.371 4.391 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CC[C@H]2[C@H](CCl)[C@H]2C1 2333118674 GTWVVUMJUGXODO-DLOVCJGASA-N 454.533 4.001 50 10 JIGE O=C(c1csc(Br)c1Br)N1CC2(CC[C@@H](CBr)O2)C1 2336732283 FSVBCQZEBIFTRF-ZETCQYMHSA-N 474.012 4.042 50 10 JIGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1cc(Br)ccc1[N+](=O)[O-] 2343646603 MYXBJJPVSIMXQV-HNNXBMFYSA-N 486.160 4.458 50 10 JIGE C[C@H](Br)CCCc1cn(-c2cc(F)c(F)cc2I)nn1 2379833382 SZSLSPWHYFSUTA-QMMMGPOBSA-N 456.072 4.256 50 10 JIGE COC(=O)c1ccc([C@H]2Nc3ccc(/C(C)=N\NC(=O)CC4(C)OCCO4)cc3[C@H]3C=CC[C@H]32)cc1 857773 KCHMRVKCPNKWDT-ZZAJUHEXSA-N 489.572 4.293 50 10 JIGE COc1cc(OC)cc(C(=O)NNC(=O)c2ccc(SCc3ccccc3F)c([N+](=O)[O-])c2)c1 3020516 OKMHCRFONXNHLD-UHFFFAOYSA-N 485.493 4.118 50 10 JIGE CC[C@H](C)c1ccccc1O[C@@H](C)C(=O)NNC(=O)COc1ccc(Br)cc1C 9873500 BFQQBDYBQGJKRM-HOCLYGCPSA-N 463.372 4.265 50 10 JIGE CC(C)Oc1cccc(C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)c1 10471713 YJUYZGDBZFAXDV-UHFFFAOYSA-N 463.372 4.374 50 10 JIGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)c1ccc(C(C)(C)C)cc1 12573793 BTONNFZBQOXRIL-LBPRGKRZSA-N 468.406 4.394 50 10 JIGE CCCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccccc1Br 14649875 DHXVDNDEMKMTCW-UHFFFAOYSA-N 470.161 4.465 50 10 JIGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc(Br)c1OC(C)=O 33929976 SOFIVFHBSRQFKE-AUWJEWJLSA-N 474.267 4.145 50 10 JIGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@H](Br)C2=O 35552094 JLVJLYOIUWPWNF-JLZZUVOBSA-N 474.149 4.455 50 10 JIGE Cc1ccc(OCC(=O)N/N=C/c2cc(Br)cc(Br)c2O)cc1Cl 59146345 XYWPBQKFMVUWHA-IFRROFPPSA-N 476.552 4.408 50 10 JIGE CCOC(=O)c1oc2ccccc2c1COC(=O)/C(C#N)=C\c1cc(C)n(CCOC)c1C 96801542 GEVAJOSCDXPYNX-UYRXBGFRSA-N 450.491 4.325 50 10 JIGE COc1cc(Br)c(C=NNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1OC 254291639 NJHSIXHAVPUDKH-UHFFFAOYSA-N 494.345 4.085 50 10 JIGE CCOc1cc(C=NNC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1OC 254627814 AJQBUILFYOZGDC-JMQVHHKOSA-N 486.572 4.081 50 10 JIGE CCOc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=C/C=C/c2ccccc2)cc1 254816500 HINCJZGSLOVDBV-QFYRLPJPSA-N 456.502 4.092 50 10 JIGE C[C@]1(CBr)CCCN1C(=O)c1cc(Br)ccc1I 723025534 BBTVKCNUVTZJIR-CYBMUJFWSA-N 486.973 4.443 50 10 JIGE COCCn1c(C)cc(/C=C(\C#N)C(=O)NC[C@@H](c2c(F)cccc2Cl)N2CCCC2)c1C 915178503 HRPSUCISURRRCP-YSSBIZNGSA-N 472.992 4.404 50 10 JIGE COc1cc(C=NNC(=O)CCC(=O)Nc2cccc3ccccc23)cc(Br)c1O 1084206360 LYMLKVJFOGMBRW-UHFFFAOYSA-N 470.323 4.186 50 10 JIGE Cc1cc(C=NNC(=O)C(=O)NCCc2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1 1084553065 JKKOPIVRCGBLHJ-UHFFFAOYSA-N 457.361 4.210 50 10 JIGE CC(=O)N1C[C@@H](CI)[C@H](c2cc(Br)cc(Br)c2)C1 1614628850 XVDVJXBLSAJBMB-MFKMUULPSA-N 486.973 4.209 50 10 JIGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2cc(Cl)ccc2N2CCCCC2)cc1 1665542929 DNDHVWCINOHUEG-MRXNPFEDSA-N 458.946 4.153 50 10 JIGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(F)c2)cc(Br)c1O 1865689360 QIAJYZWFZWFPKZ-IBGZPJMESA-N 485.313 4.074 50 10 JIGE CC(=O)Oc1ccc(C[C@H](NC(=O)c2cccc(Cl)n2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866567884 ZRXVQPWLEYBWAF-NRFANRHFSA-N 494.960 4.213 50 10 JIGE BrC[C@]12CC[C@H]1CN(c1ncc(I)cc1Br)C2 1910387714 SJEXWRXWXUKEAJ-UFBFGSQYSA-N 471.962 4.060 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1CC[C@H](Br)C12CCC2 1914420382 GQAYEJZPEQMCGQ-LBPRGKRZSA-N 488.039 4.292 50 10 JIGE Brc1cc(I)cnc1N1CC[C@H](Br)C12CCC2 2015763708 CMXCAKZKSUBRKQ-JTQLQIEISA-N 471.962 4.345 50 10 JIGE CN1CCC[C@@H]([C@@H](Br)c2cc(Br)sc2Br)S1(=O)=O 2029051036 CWHPFJWMJSDZHQ-CBAPKCEASA-N 482.057 4.133 50 10 JIGE O=C(c1cc(Br)c(Br)s1)N1CC[C@@H]2[C@H](CBr)[C@H]2C1 2032221734 AJYFVVMLGGBTGV-CSMHCCOUSA-N 458.013 4.376 50 10 JIGE O=C(CBr)c1c(Cl)ccc(I)c1I 2060094546 WSIHPZVPCKMZGI-UHFFFAOYSA-N 485.284 4.127 50 10 JIGE CCN(C[C@@](C)(CI)OCC12CCC(CC1)OC2)C(=O)OC(C)(C)C 2083308211 RGEXDSLRSDCXRN-ZCDLSOSASA-N 467.388 4.413 50 10 JIGE O=C(c1c(Br)cccc1Br)N1C[C@@H](CBr)C2(CC2)C1 2094094460 BZXIYYQFOILAAC-SECBINFHSA-N 451.984 4.459 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CC2(CC2)C[C@H]1CBr 2099154640 NJNHPUDHJVODRG-JTQLQIEISA-N 498.984 4.443 50 10 JIGE C[C@H]1CN(S(=O)(=O)c2cc(Cl)c(Br)s2)CC[C@H]1CBr 2109036998 WWXBSDJLYDQHGS-YUMQZZPRSA-N 451.633 4.206 50 10 JIGE C[C@@H]1CN(S(=O)(=O)c2cc(CBr)cs2)[C@H](C)[C@@H](C)N1Cc1ccccc1 2123243191 GTLDGXBNXAJZBQ-BZUAXINKSA-N 457.459 4.315 50 10 JIGE C[C@@H](Br)C[C@@H]1COCCN1C(=O)c1scc(Br)c1Br 2128864939 NDKSQBUZLRBTBO-HTQZYQBOSA-N 476.028 4.288 50 10 JIGE CSCC[C@H](Br)CCNS(=O)(=O)c1ccc(Cl)c(Br)c1 2146555788 UIQLVUGWGZNBCZ-SECBINFHSA-N 465.660 4.288 50 10 JIGE C[C@H]1CN(Cc2ccccc2)CCCN1S(=O)(=O)Cc1ccc(CBr)cc1 2179787757 TYTQTJPPOQRLHH-SFHVURJKSA-N 451.430 4.008 50 10 JIGE COC(=O)c1cc(NCCSSCCNC(=O)OC(C)(C)C)c(Br)cc1N 2181751695 ZNLFWWLZGSRAGR-UHFFFAOYSA-N 480.450 4.136 50 10 JIGE CC(C)(C)[C@H]1[C@H](Br)CCN1C(=O)Cc1ccccc1I 2185110343 OLLAUZGAOKRSSM-IUODEOHRSA-N 450.158 4.244 50 10 JIGE CCC[C@H]1CN(C(=O)c2cc(I)ccc2F)C[C@@H]1CBr 2205701980 HTFBJAZPQDVVQX-QWRGUYRKSA-N 454.121 4.314 50 10 JIGE CC(C)(C)OC(=O)N1CCCN([S@@](C)(=O)=NCCCCCCCBr)CC1 2277455058 MABSKSAPTZBIFW-SANMLTNESA-N 454.475 4.287 50 10 JIGE CCCCN1C(=O)C(=CNc2ccc(C(=O)c3ccccc3)cc2)C(=O)N(CCCCl)C1=O 2297454715 DYEPLQAQZNTLNP-UHFFFAOYSA-N 467.953 4.433 50 10 JIGE Cc1sc2ncn(CC(=O)NN=Cc3ccc(Cl)c([N+](=O)[O-])c3)c(=O)c2c1-c1ccccc1 2325904110 ARDKALNDLXMOCA-UHFFFAOYSA-N 481.921 4.145 50 10 JIGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2C(C)C)cc1 14029055 RVYLONLUQAYQNV-UHFFFAOYSA-N 471.623 4.484 50 10 JIGE C=CCOc1ccccc1C(=O)NNC(=O)COc1ccc([C@@H](C)CC)cc1Br 14832341 HDXAYYZUFIBNDZ-HNNXBMFYSA-N 461.356 4.367 50 10 JIGE COc1ccc(/C(C#N)=C\c2ccc(OC(=O)[C@H](C)N3C(=O)c4ccccc4C3=O)cc2)cc1OC 31901083 PPQNFFRDPRNLRU-PNWWAVQQSA-N 482.492 4.358 50 10 JIGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\Nc3ccc(C)c(Cl)c3)C2=O)cc1OC 39893977 OLLDXQJEWAGICE-XSFVSMFZSA-N 465.937 4.413 50 10 JIGE COc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)Nc2cccc(OC)c2)cc1 39992860 SDAGOUPJLJAHSF-NBVRZTHBSA-N 482.496 4.358 50 10 JIGE Cc1c(C(=O)NNC(=O)COc2ccc3ccccc3c2)sc2nc(-c3ccccc3)cn12 40827972 FBBXBJDAJVKREZ-UHFFFAOYSA-N 456.527 4.364 50 10 JIGE Cc1ccc(C(C)C)c(OCC(=O)N/N=C2\C(=O)N(CCOc3ccccc3)c3ccccc32)c1 59148259 QWXVBWTZQBCJFB-IKPAITLHSA-N 471.557 4.443 50 10 JIGE O=C(N/N=C1/C(=O)N(Cc2ccccc2Cl)c2ccccc21)c1cc(Br)ccc1O 59160293 WSFSHNUHAQIXHX-LKUDQCMESA-N 484.737 4.489 50 10 JIGE Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(C)c(Cl)c3)cc2)cc1 59161325 DYUWUUZQDQQXBK-AFUMVMLFSA-N 472.950 4.254 50 10 JIGE Cc1ccc(/C=N/NC(=O)CSc2nnc(CNc3ccccc3)n2-c2ccccc2)cc1 59475335 NAUCWKRBOKOJSE-JVWAILMASA-N 456.575 4.430 50 10 JIGE CCCC[C@H](CC)COc1cc(C(=O)NN)c(OC[C@@H](CC)CCCC)cc1C(=O)NN 59833119 DJNJETPKQAHXHJ-ROUUACIJSA-N 450.624 4.084 50 10 JIGE CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2ccc3c(c2)OCO3)cc1 252606867 GWRZWKXVLLMQDL-MSRJNXITSA-N 484.556 4.183 50 10 JIGE C[C@H]1[C@H](CBr)CCN1C(=O)c1cc(I)ccc1Br 385959806 YRZFQMUNLHEOKN-IUCAKERBSA-N 486.973 4.299 50 10 JIGE O=C(c1cc(Br)cc(Br)c1)N1CCSC[C@H]1CBr 387920527 XWZLXXBFRFZPRE-LLVKDONJSA-N 458.013 4.164 50 10 JIGE O=C(NNS(=O)(=O)/C=C\c1ccccc1Cl)c1ccccc1OCc1ccc(F)cc1 727350465 NDMPPLZSKVTTNL-YPKPFQOOSA-N 460.914 4.293 50 10 JIGE COc1ccc(C(=O)NNC(=O)N[C@@H](C)c2sc(-c3ccc(C)cc3)nc2C)c(OC)c1 730830384 OMDCKMDETDPERJ-HNNXBMFYSA-N 454.552 4.149 50 10 JIGE C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1Br 1084049230 WJAFPYWLVNAIBL-QGOAFFKASA-N 484.781 4.370 50 10 JIGE Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1C=NNC(=O)CSCc1ccccc1Cl 1084371320 ZJOCZONUAGZLMN-UHFFFAOYSA-N 457.943 4.434 50 10 JIGE O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NN=Cc1cc(Br)ccc1O 1084631020 MJVFCPWWVUMTJG-UHFFFAOYSA-N 459.127 4.331 50 10 JIGE CC(=NNC(=O)CCCNC(=O)c1ccccc1Br)c1ccc(Br)cc1 1772719592 BWIYNXYTUDUOBI-UHFFFAOYSA-N 481.188 4.262 50 10 JIGE Cc1sc2ncn(CC(=O)N/N=C/c3ccc(Br)cc3F)c(=O)c2c1-c1ccccc1 1860772853 JFPUAHZUIALJOV-NSKAYECMSA-N 499.365 4.485 50 10 JIGE CC(C)(C)OC(=O)NCCCCCC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1 1873795268 DZDZDCLLUMODHI-OVVQPSECSA-N 453.539 4.441 50 10 JIGE O=C(O)C=Cc1cc(Br)cc(Br)c1OC[C@H]1C[C@H]1Br 1887908243 OWCJTQIGXZTXEF-PSASIEDQSA-N 454.940 4.472 50 10 JIGE O=C(N[C@H]1C[C@@H]([C@H](F)CBr)C1)c1ccc(I)c(Cl)c1 1906434370 RGWOGQPYDWOZPX-WCABBAIRSA-N 460.512 4.186 50 10 JIGE CN(C[C@@H]1C[C@@H]1Br)C(=O)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 1910143290 MSBHZYDIKHBQLQ-PMACEKPBSA-N 494.474 4.178 50 10 JIGE C[C@H]1CN(c2ncc(I)cc2Br)C[C@H](C)C1Br 2015759347 VBBHJFRXXWRMRN-YUMQZZPRSA-N 473.978 4.304 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1C[C@H]2CC[C@@H]([C@@H]1F)N2C(=O)OC(C)(C)C 2016175573 MENKFYNOZBRZNE-WCXIOVBPSA-N 479.684 4.361 50 10 JIGE O=S(=O)(c1cc(Br)cc(CBr)c1F)N(Cc1ccccc1)C1COC1 2059286565 NEWCFEPKNKVNOY-UHFFFAOYSA-N 493.192 4.073 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1CC2(CC2)C[C@@H]1CBr 2099153279 FATTXZDOPBEGSR-SNVBAGLBSA-N 454.533 4.334 50 10 JIGE FC(F)(F)c1cnc(N2CCC23CC(CBr)C3)c(I)c1 2160852391 PTIWELWLSFXJQR-UHFFFAOYSA-N 461.063 4.459 50 10 JIGE CC(C)(C)OC(=O)N1CC[C@@H](C(F)(F)F)N(C(=O)[C@H](Br)C2CCCC2)CC1 2167034418 RSTVRBIMFVXWTK-UONOGXRCSA-N 457.331 4.340 50 10 JIGE CN(CC1CC(Br)C1)C(=O)[C@@H]1C[C@@H](C(F)(F)F)CCN1C(=O)OC(C)(C)C 2196908395 XIFWBJLOQHJJMO-YIOUJQMASA-N 457.331 4.196 50 10 JIGE C[C@@H]1[C@H](O[C@H](CI)c2ccccc2Br)C2CCN1CC2 2198004964 ARHAPNNHMWLVRL-LYRGGWFBSA-N 450.158 4.425 50 10 JIGE CC1(C)C[C@](C)(CBr)CN1C(=O)c1cc(I)ccc1O 2199537853 GMSJBJHMGCKLKN-OAHLLOKOSA-N 452.130 4.023 50 10 JIGE ClCc1cc(Cl)cc(-n2cnc(I)c2I)c1 2212692123 VVYIVAOJABNOOY-UHFFFAOYSA-N 478.886 4.474 50 10 JIGE CC(C)(C)OC(=O)NC[C@@H]1CN(CCCCI)CC[C@@H]1C(F)(F)F 2248246951 DJIKBCXKYHUOFX-OLZOCXBDSA-N 464.310 4.227 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1CC[C@@H]2[C@H](CBr)[C@@H]2C1 2268347231 QXSIVYKVWUGGET-OUAUKWLOSA-N 454.533 4.048 50 10 JIGE N#CC(C(=O)NCc1ccco1)=C1S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(F)cc1 2293039148 ITLFBPSWUIPPLN-NRFANRHFSA-N 465.481 4.300 50 10 JIGE O=C(NCCSCCCBr)c1ccc(Cl)c(I)c1 2314059429 SJZHDKQNEWFWRZ-UHFFFAOYSA-N 462.578 4.193 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CC(C)(C)[C@@H]1OCc1ccccc1 2325069590 FPXYJKSSBIIAJX-FDDCHVKYSA-N 484.684 4.321 50 10 JIGE O=C(N[C@H]1C[C@@H](CBr)[C@H]2C[C@H]12)c1cc(Br)cc(Br)c1 2329869352 BUXKASFAYLEXOU-MHNYQROPSA-N 451.984 4.361 50 10 JIGE O=C(/C=C/c1cccc2ccccc12)NNC(=O)COc1ccc(Cl)cc1Br 13986591 HHKXMNQOUXZFOC-DHZHZOJOSA-N 459.727 4.495 50 10 JIGE COc1ccc(/C=N\NC(=O)CCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1OC 33400899 DEVHSNXDTOFKLU-GATIEOLUSA-N 457.836 4.245 50 10 JIGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)cc1 38658124 LUDYAHBBQBKBIN-AREMUKBSSA-N 499.479 4.362 50 10 JIGE O=C(NNc1ncnc(Nc2cccnc2Cl)c1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 40659392 SYOVQYXPFMCAIB-UHFFFAOYSA-N 475.896 4.452 50 10 JIGE CCOc1ccccc1OCC(=O)Oc1ccc(/C=C(\C#N)C(=O)NCc2ccccc2)cc1OC 40870051 DOGGCROQDJRJRX-PXLXIMEGSA-N 486.524 4.302 50 10 JIGE C[C@H]1CCN(C(=O)c2cc(I)ccc2Br)[C@@H]1CBr 235630108 BUWRUNZXAHXSMU-QPUJVOFHSA-N 486.973 4.299 50 10 JIGE Cc1nn(-c2ccccc2)c(N2CCCCC2)c1/C=N/NC(=O)c1cccc(N2CCCC2=O)c1 253568416 LENUOOGQKJTCIA-TURZUDJPSA-N 470.577 4.062 50 10 JIGE CCOc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCc3ccccc3)c(OCC)c2)cc1 254550983 XXMABWAXXVYMDK-UHFFFAOYSA-N 461.518 4.152 50 10 JIGE CC1(C)C[C@@H](Br)CCN(C(=O)c2ccc(F)cc2I)C1 395330865 GJJHFKNPKOTEJU-JTQLQIEISA-N 454.121 4.456 50 10 JIGE FC(F)(F)Oc1c(Br)ncc(CBr)c1I 396184893 UGNIXGZKCHUVAM-UHFFFAOYSA-N 460.813 4.242 50 10 JIGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2c(F)cccc2Cl)c2ccccc2C)cc1 1084079207 GBXMHNQNFLEIIJ-UHFFFAOYSA-N 473.957 4.442 50 10 JIGE C#Cc1cccc(NC(=S)NNC(=O)/C(C#N)=C/c2cc(C)n(-c3ccccc3F)c2C)c1 1303280067 AYOVEBNBZYSKPR-XSFVSMFZSA-N 457.534 4.139 50 10 JIGE COc1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)cc1[N+](=O)[O-] 1614616183 UWQYVJQFXANIQV-SJORKVTESA-N 496.301 4.391 50 10 JIGE Cc1c(C(=O)Nc2nccs2)oc2c1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772747158 LPQMHBSKVTWOKY-UHFFFAOYSA-N 486.369 4.286 50 10 JIGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2Cl)ccc1O 1865681581 QZJLVBPORSMBOS-OAQYLSRUSA-N 450.926 4.470 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2Cl)[C@@H]1c1ccc(C(=O)O)cc1 1865709517 WZSMNDPPGDVYNH-OAHLLOKOSA-N 460.799 4.461 50 10 JIGE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1cc(OC)c(O)c(OC)c1)C(C#N)=C(N)O2 1865715225 ZOXHUHGNZIDRKS-HXUWFJFHSA-N 466.925 4.088 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCC2 1985350011 KHAKLUHKGAQLEM-HZPDHXFCSA-N 461.694 4.318 50 10 JIGE O=C(CCl)c1cc(I)cc(I)c1C(F)(F)F 2060040735 UMAJKGPPESDUBB-UHFFFAOYSA-N 474.385 4.336 50 10 JIGE C=C[C@]1(CBr)COCCN1C(=O)c1cc(Br)sc1Br 2135108294 MHEJSTLDNXQINP-LBPRGKRZSA-N 474.012 4.065 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@@H]1CCCNS(=O)(=O)c1ccc(CBr)cc1 2162588890 KWUDEISNLVSKPB-INIZCTEOSA-N 461.422 4.040 50 10 JIGE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1S(=O)(=O)c1ccc(CBr)cc1 2163058310 JMBIJYPEKAAMPE-YOEHRIQHSA-N 461.422 4.038 50 10 JIGE CN(C(=O)Cc1ccccc1I)C1(CBr)CCCCC1 2170165977 NWHYXYQAYOKBFQ-UHFFFAOYSA-N 450.158 4.390 50 10 JIGE Cc1oc(C)c(S(=O)(=O)N2CCC[C@H](N(C)Cc3ccccc3)C2)c1CBr 2179785793 QTMPUHJJYXZCDJ-SFHVURJKSA-N 455.418 4.076 50 10 JIGE Cc1ccc(C)c(C(=O)C=C2SC(=Nc3ccc(C(=O)CBr)cc3)NC2=O)c1 2323628518 VWAGGLSUWSGQQB-UHFFFAOYSA-N 457.349 4.498 50 10 JIGE COc1cc(C=NNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)ccc1OCc1ccccc1F 2328829518 XLLGLDMCMYLWFT-FQEVSTJZSA-N 471.529 4.263 50 10 JIGE O=C(N[C@H]1C[C@@H](CBr)[C@@H]2C[C@H]12)c1ccc(I)c(Br)c1 2329878115 NEKANHNXQATWRK-YVNDNENWSA-N 498.984 4.203 50 10 JIGE CN(C(=O)c1c(Br)c(Br)nn1C)[C@H]1CCCCC[C@@H]1Br 2364230143 IQEVEXURJJBHMO-IUCAKERBSA-N 472.019 4.113 50 10 JIGE N[C@H](CSSC[C@@H](N)CC1CCC(CC(=O)O)CC1)CC1CCC(CC(=O)O)CC1 13736516 KOSYXJAUSIIJSK-RZXUBOOQSA-N 460.706 4.365 50 10 JIGE Cc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2OCCC(C)C)cc1Br 14034460 MGWQPHAPUXNTPV-UHFFFAOYSA-N 478.412 4.132 50 10 JIGE C/C(=N/NC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)c1ccncc1 16136619 SOLYGZKGMZSPAT-NTFVMDSBSA-N 489.626 4.354 50 10 JIGE CCCCc1nc(N2CCCN(C(=O)CCCl)CC2)c2c(C)nn(-c3ccc(F)cc3)c2n1 37378112 FTPVDIFKULHNPP-UHFFFAOYSA-N 472.996 4.273 50 10 JIGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc32)cc1OC 38659523 KJKWDEYKNSITLR-DEOSSOPVSA-N 487.468 4.439 50 10 JIGE COC(=O)c1ccc(Cl)c(-n2c(C)cc(/C=N/NC(=O)CC[C@@H](O)c3ccccc3)c2C)c1 58890724 OBPOJWOOBBSGJA-QNBNLKTOSA-N 467.953 4.498 50 10 JIGE O=C(COc1ccccc1)N/N=C1/C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21 59155431 FASYEDVVHNSGQP-HPNDGRJYSA-N 454.313 4.440 50 10 JIGE O=C(Oc1ccc(/C=N/NC(=O)c2nn(-c3ccccc3)c3c2CCC3)cc1)c1cccs1 169927718 FEIQKUMANDPMCF-WGOQTCKBSA-N 456.527 4.406 50 10 JIGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\NCc1ccccc1Br 217254363 WEJWUMOJOXKYAV-KAMYIIQDSA-N 496.146 4.498 50 10 JIGE O=C(NCCCCCCI)c1cc(Br)cc([N+](=O)[O-])c1 232484968 PHAWSXOLXGMRCR-UHFFFAOYSA-N 455.090 4.083 50 10 JIGE COc1cc(Br)ccc1OCC(=O)NN=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 252625655 QOLNVGTXXNPQHR-UHFFFAOYSA-N 474.267 4.155 50 10 JIGE CC[C@H]1CN(S(=O)(=O)c2cc(Br)c(C)cc2Br)C[C@H]1Br 399894158 ZOWMGAIFMDOAGY-JOYOIKCWSA-N 490.055 4.314 50 10 JIGE COC[C@](C)(CBr)N(C)C(=O)c1cc(Br)c(Br)s1 689261774 SLLBTHPBFQBPBI-NSHDSACASA-N 464.017 4.145 50 10 JIGE COc1cccc([C@@H](C)N2CCN(C(=O)/C(C#N)=C/c3cn(CCC#N)nc3-c3ccccc3)CC2)c1 728890707 CCWNNAYKUMPREQ-RYEBZEHMSA-N 494.599 4.285 50 10 JIGE COc1ccc(CN2CCN(C(=O)CCCC[C@@H]3CCSS3)CC2)c(OC)c1OC 732271019 MXDCALSPHKHONX-GOSISDBHSA-N 454.658 4.071 50 10 JIGE COc1ccc(C(C)=NNC(=O)COc2ccc(Br)cc2Br)cc1 1084103776 IJDZGYBTWPQRJH-UHFFFAOYSA-N 456.134 4.139 50 10 JIGE COc1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)cc1[N+](=O)[O-] 1614616179 UWQYVJQFXANIQV-IAGOWNOFSA-N 496.301 4.391 50 10 JIGE COc1ccc2c(c1)C(=NNC(=O)CCCCCNC(=O)c1ccccc1Cl)C(=O)N2CC(C)C 1772719846 DMXYDZVSSGGJKV-UHFFFAOYSA-N 499.011 4.162 50 10 JIGE Cc1c(C(=O)N2CCCCC2)oc2c1C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772747816 KSJBYNKXVSEUDT-UHFFFAOYSA-N 458.902 4.246 50 10 JIGE COc1ccccc1OCC(=O)N/N=C/c1ccc(OC)c(OCc2ccc(Cl)cc2)c1 1873497033 HLTIQSPNTRUTHV-VULFUBBASA-N 454.910 4.465 50 10 JIGE C[C@H]1CN(Cc2ccc(I)c(Br)c2)C[C@H]1Br 1904343821 MSPGHLMTNHJKPK-GZMMTYOYSA-N 458.963 4.269 50 10 JIGE CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)CC2(CBr)CCC2)C1 1955943986 WJLVCRMSNJSBPF-UHFFFAOYSA-N 453.421 4.036 50 10 JIGE Cc1c(Cl)cc(C(=O)N2C[C@@H](Br)[C@H](Br)C2)cc1Br 2075319491 TYUCBKQTXWEWEG-NXEZZACHSA-N 460.391 4.394 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(O[C@@H]2CCOC3(CCC3)C2)C1 2076742599 YTCNSPKQNFVAJM-BEFAXECRSA-N 465.372 4.309 50 10 JIGE CCN1CC[C@@H]([C@H](Br)c2cc(Br)cc(Br)c2)S1(=O)=O 2089524785 WXFBZBGEHYYSMH-NWDGAFQWSA-N 476.028 4.072 50 10 JIGE C=C(Br)CN(C)S(=O)(=O)c1ccc(Cl)c(CBr)c1Cl 2123252454 QLNZBVCTDQQNSY-UHFFFAOYSA-N 451.995 4.417 50 10 JIGE O=S(=O)(N(Cc1ccccc1)Cc1cccs1)N1CCC[C@H](CCBr)C1 2123368056 AVEYSPGBWYNARV-GOSISDBHSA-N 457.459 4.492 50 10 JIGE C=C[C@]1(CBr)COCCN1Cc1cc(Cl)ccc1I 2135110939 HSGMPDQVUBONSF-AWEZNQCLSA-N 456.549 4.097 50 10 JIGE CCCN1CC[C@H]([C@@H](Br)c2ccc(I)c(Cl)c2)S1(=O)=O 2145770042 RJCZCPBWGPICOK-OLZOCXBDSA-N 492.604 4.195 50 10 JIGE O=C(c1cc(I)ccc1F)N1[C@H](CBr)C[C@H]2CCC[C@@H]21 2169662187 IYSPDTQDCWBUQN-PUYPPJJSSA-N 452.105 4.208 50 10 JIGE O=S(=O)(N[C@H]1CC[C@@H](CBr)CC1)c1cc(Br)ccc1Br 2175092544 SYOPMDIUTFWNCE-JGZJWPJOSA-N 490.055 4.444 50 10 JIGE CN(Cc1ccccc1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(CBr)cc2)C1 2179785549 OCYNPPNQDRXYBY-NRFANRHFSA-N 451.430 4.008 50 10 JIGE CCN(CCCOCc1ccccc1)S(=O)(=O)c1ccc(CBr)cc1OC 2179860817 XSMJSCSMEXALKY-UHFFFAOYSA-N 456.402 4.208 50 10 JIGE Cc1cccn2c(=O)c(C=C(C#N)S(=O)(=O)c3ccc(Cl)cc3)c(N3CCCCCC3)nc12 2296291989 SGMJGBKHUCJRIP-UHFFFAOYSA-N 482.993 4.375 50 10 JIGE CS(=O)(=O)C1CC([C@H](Br)c2sc(Cl)cc2I)C1 2300956016 UCIMZYXSXOTSDW-BIFUPNIPSA-N 469.591 4.265 50 10 JIGE CC(C)(CI)CN=[S@@](C)(=O)C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C 2306810907 YGENDZSRNHYBLI-OZAJXLCCSA-N 474.449 4.485 50 10 JIGE C[C@@]1(CCl)COCCN(Cc2ccc(I)c(Br)c2)C1 2349857770 QNIYQYJSIQGLOF-AWEZNQCLSA-N 458.565 4.131 50 10 JIGE Cc1cc(N(CCI)CCI)ccc1C=C(C#N)C#N 4707835 XFRXMLMRNGTELB-UHFFFAOYSA-N 491.114 4.102 50 10 JIGE COc1ccc(CC(=O)NNC(=O)c2cc(Br)ccc2OCCc2ccccc2)cc1 14665541 RZZIMNWOOGZNPX-UHFFFAOYSA-N 483.362 4.083 50 10 JIGE C=CCn1c(SCC(=O)N/N=C/c2ccco2)nc2scc(-c3ccc(C)cc3)c2c1=O 19650722 KYPKARYRWDFGJZ-WYMPLXKRSA-N 464.572 4.455 50 10 JIGE C[C@H](Cl)C(=O)N1CCN(c2nc3nccc(-c4ccc(C5CCCCC5)cc4)n3n2)CC1 23426524 SGJOTAQBUMOUFP-KRWDZBQOSA-N 452.990 4.115 50 10 JIGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cc(C)n(-c3cccc(C(=O)O)c3C)c2C)cc1 58894404 MHMZYSSQBHXCSK-PWDRKSFLSA-N 477.561 4.463 50 10 JIGE Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)c3cc(F)c(F)cc3Cl)cc2)cc1 59166264 FTHFWEQUAKVLAG-BRJLIKDPSA-N 464.877 4.458 50 10 JIGE Cc1ccc(C(C)C)c(OCC(=O)N/N=C2/C(=O)N(Cc3cccc([N+](=O)[O-])c3)c3ccccc32)c1 59166560 KHQSZQNJYQUPLA-PBBVDAKRSA-N 486.528 4.473 50 10 JIGE O=S1(=O)CC[C@@H](C(CBr)(CBr)Cc2ccc(Cl)s2)C1 118669516 SADGYIITDGUCRQ-SECBINFHSA-N 450.645 4.155 50 10 JIGE COc1ccc(C(=O)Oc2cc(C=NNC(=O)COc3ccc(Cl)cc3)ccc2OC)cc1 252610570 ICTLVHWHEGJNKI-UHFFFAOYSA-N 468.893 4.106 50 10 JIGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccccc3OC)cc2OC)cc1 254402566 BYODYSQDBCAZFG-UHFFFAOYSA-N 462.502 4.476 50 10 JIGE COc1ccc(C=NNC(=O)c2[nH]c3ccc([N+](=O)[O-])cc3c2-c2ccccc2)c(C(=O)O)c1OC 254522845 GBLMDNFRNRLYSS-UHFFFAOYSA-N 488.456 4.222 50 10 JIGE COc1ccc(COc2c(Br)cc(CBr)cc2Br)nn1 380145402 WGISATHRPZBSQO-UHFFFAOYSA-N 466.955 4.484 50 10 JIGE C[C@@H]1CCCN(C(=O)c2cc(I)ccc2O)[C@@H]1CCBr 697199605 INWFATBCIMPANR-ZWNOBZJWSA-N 452.130 4.023 50 10 JIGE O=C(c1ccc(Br)cc1Br)N1CCS[C@@H](CBr)C1 720064599 OYEKPPUSVCBTGW-VIFPVBQESA-N 458.013 4.164 50 10 JIGE C[C@H]1CN(C(=O)c2ccc(I)c(Br)c2)C[C@@H](C)[C@@H]1Cl 721618406 CFRJVGPEHNGVDM-WOFXILAISA-N 456.549 4.389 50 10 JIGE N#CCCn1cc(/C=C(\C#N)C(=O)N2CCC[C@H](c3ncc[nH]3)C2)c(-c2ccc(Cl)cc2)n1 727738068 DUODRSMRBHJCID-DYGKOUCMSA-N 459.941 4.153 50 10 JIGE Cc1cc(C=NNC(=O)COc2ccc(Br)cc2)c(C)n1-c1cccc([N+](=O)[O-])c1 1084071508 KHPRUVJDPFCHNM-UHFFFAOYSA-N 471.311 4.294 50 10 JIGE COc1cc2ccccc2cc1C(=O)NN=C1C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 1084172810 QFIFCYHSMFWSKE-UHFFFAOYSA-N 480.480 4.438 50 10 JIGE Cc1nn(CCO)c(C)c1C=NNC(=O)C=C(Sc1ccccc1)Sc1ccccc1 1084358245 XXBQCPDINGQLCJ-UHFFFAOYSA-N 452.605 4.368 50 10 JIGE Cc1cc(C)cc(OCC(=O)NN=Cc2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c1 1084407555 PSZHKTHMXGXUTG-UHFFFAOYSA-N 464.434 4.441 50 10 JIGE CO[C@@H]1[C@H](Br)CC[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 1535644793 PFNMFJBWDPFIRE-VAMGGRTRSA-N 460.324 4.221 50 10 JIGE COc1cc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)ccc1[N+](=O)[O-] 1614631958 XMDMOMRPBYQQPX-SJORKVTESA-N 496.301 4.391 50 10 JIGE O=C(OCc1ccccc1)N1C[C@H](CBr)[C@H](c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 1614700669 BOQJJVHMCRAGHQ-WMLDXEAASA-N 464.272 4.250 50 10 JIGE COC(=O)c1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(F)cc1)CCC2 1772744712 IBSGSVIWHBXEHZ-UHFFFAOYSA-N 463.465 4.236 50 10 JIGE Cc1cc(O[C@@H](C)C(=O)NN=Cc2cc(Br)cc([N+](=O)[O-])c2O)cc(C)c1Cl 1772752485 FQIAYHWHCGSKSF-NSHDSACASA-N 470.707 4.251 50 10 JIGE COc1ccc(/C=C/C(=O)N2CCC(C(=O)Nc3ccc(SC#N)cc3)CC2)cc1OC 1860595544 RYNGDOKEOTXEDD-ONNFQVAWSA-N 451.548 4.167 50 10 JIGE Cc1sc2ncn(CC(=O)NNC(=O)CCCSc3ccccc3)c(=O)c2c1-c1ccccc1 1865851402 ASSKBNLKXHKFTM-UHFFFAOYSA-N 492.626 4.153 50 10 JIGE CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccc(OC(=O)c2ccc(F)cc2)cc1 1873795105 RPIFIEATRCWTKG-WNFNFYEPSA-N 489.569 4.141 50 10 JIGE O=C(N[C@@H](CCBr)C(F)F)c1cc(I)ccc1Br 1918561174 SLYWVBGFBAZGDQ-VIFPVBQESA-N 496.915 4.202 50 10 JIGE CC(C)(C)OC(=O)N1CC(N(Cc2ccccc2)S(=O)(=O)c2ccccc2CCl)C1 1977935336 DOTWDPZIFMAINP-UHFFFAOYSA-N 450.988 4.236 50 10 JIGE C[C@@H](Br)[C@H]1CCN1C(=O)c1cc(I)ccc1Br 2011149676 SGFONEMOAFMROE-RDDDGLTNSA-N 472.946 4.052 50 10 JIGE CC1(C)[C@H](CBr)OCCN1C(=O)c1cc(Br)sc1Br 2103389167 KEVUJQKMYPMZJV-QMMMGPOBSA-N 476.028 4.288 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN=c1cc(Br)nc(C(C)(C)C)[nH]1 2125298121 HWKWZFKMTIJGRR-UHFFFAOYSA-N 465.483 4.277 50 10 JIGE O=S(=O)(Nc1c(Br)cc(Cl)cc1Br)N1CCC(Cl)CC1 2240603611 GGIZKMZHENWVPL-UHFFFAOYSA-N 467.010 4.225 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1CC(F)(F)C[C@@H]1CBr 2268344433 KXTLANWMGWNEPA-MRVPVSSYSA-N 464.475 4.189 50 10 JIGE CN(CC(F)(F)CBr)C(=O)Cc1cc(Br)cc(Br)c1 2277914279 GIHFMKBIYCXZFD-UHFFFAOYSA-N 463.942 4.243 50 10 JIGE Cc1cc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)NCc2ccco2)ccc1Cl 2296543635 TVJVJNLNBUFFRH-UHFFFAOYSA-N 460.877 4.265 50 10 JIGE CCCOc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(O)c([N+](=O)[O-])c2)cc1 2296646513 HTRHALFBBMCHQT-UHFFFAOYSA-N 488.500 4.010 50 10 JIGE Nn1c(SCCCC(=O)NN=CC=Cc2ccccc2)nnc1-c1ccc(Br)cc1 2313587830 OUOWMQYHHKYJTH-UHFFFAOYSA-N 485.411 4.109 50 10 JIGE COc1ccc(C=CC(=O)N2CCC(C(=O)Nc3ccc(SC#N)cc3)CC2)cc1OC 2321901605 RYNGDOKEOTXEDD-UHFFFAOYSA-N 451.548 4.167 50 10 JIGE COc1cc(C=NNC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)ccc1OC(C)C 2328827651 RWVRRJMFTGAXDY-FQEVSTJZSA-N 455.555 4.069 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1CCC2(CC(Br)C2)C1 2340052743 RWIRBSUYJJKFJN-UHFFFAOYSA-N 454.533 4.334 50 10 JIGE CC(C)[C@@H](Cl)C(C)(C)CN(C)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2366068145 IBXRMEQUBZPSET-LJQANCHMSA-N 457.036 4.004 50 10 JIGE Cc1cc(Cl)ccc1OCC(=O)NC(=S)NNC(=O)c1sc2ccccc2c1Cl 12503388 QCUJMGIIVLZMFY-UHFFFAOYSA-N 468.387 4.231 50 10 JIGE CCCCCCOc1ccc(C(=O)NNC(=O)CCC(=O)OCCCc2ccccc2)cc1 14025518 FLEZYOCDHKXMOE-UHFFFAOYSA-N 454.567 4.363 50 10 JIGE COc1ccc(/C=N/NC(=O)c2cccc(NC(=O)c3cccc(Br)c3)c2)c(OC)c1 27520170 DPRXPRGYPXJWKH-AFUMVMLFSA-N 482.334 4.483 50 10 JIGE COc1ccc2cc(Br)ccc2c1CC(=O)NNC(=O)c1ccccc1Br 35550865 XRBBIJIBVFIVBC-UHFFFAOYSA-N 492.167 4.377 50 10 JIGE COc1cccc(NC(=O)/C(C#N)=C/c2c(Oc3ccccc3OC)nc3ccccn3c2=O)c1 39993094 ORVKIEVCAKFMNK-SAPNQHFASA-N 468.469 4.050 50 10 JIGE Cc1ccc(C)c(Nc2ncnc(NNC(=O)c3ccc(Br)cc3)c2[N+](=O)[O-])c1 40592131 OQIMBUAEQJSTET-UHFFFAOYSA-N 457.288 4.265 50 10 JIGE CCCCOC(=O)c1ccccc1NC(=O)/C(C#N)=C\N[C@@H](C)c1ccc(OC)c(OC)c1 217240311 DCPQUHFDOSPHDH-DOMQTXCISA-N 451.523 4.357 50 10 JIGE COc1ccc(-c2nnc(SCC(=O)NN=C/C=C/c3ccco3)n2-c2ccccc2)cc1OC 254745392 PFVRBQCMJXAWOO-UIYWEYRBSA-N 489.557 4.452 50 10 JIGE CC[C@H](Br)[C@@H](CC)NS(=O)(=O)c1cc(Br)ccc1Br 313074950 ASHBZXRMGQUZPT-GXSJLCMTSA-N 478.044 4.442 50 10 JIGE C[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)c(Br)s2)[C@H]1CBr 688772935 SHMKTKFBLLMQAN-APPZFPTMSA-N 451.633 4.348 50 10 JIGE CCNC(=O)c1ccc(C)c(NC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)c1 726935339 DPXNACMLOXUWPU-KGENOOAVSA-N 452.518 4.068 50 10 JIGE CCCCOc1ccc(C(=O)NNC(=O)C2CCN(c3nc4ccccc4s3)CC2)cc1OC 727366379 WWGFPVXTOWSQGC-UHFFFAOYSA-N 482.606 4.161 50 10 JIGE C[C@@H](OC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1)C(=O)NCc1cccs1 729618490 BRTVVOOLVSVOGV-YAJBTMAUSA-N 493.976 4.334 50 10 JIGE O=C(NNc1ccc(S(=O)(=O)NC2CC2)cc1)[C@H](Oc1ccc(F)c(Cl)c1)c1ccccc1 730539658 CKUYYRSZIYNIFQ-JOCHJYFZSA-N 489.956 4.183 50 10 JIGE Cn1cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1ccc(Br)cc1 1865699432 UFWAFQLWACRQPO-AWEZNQCLSA-N 464.245 4.210 50 10 JIGE CC[C@@H](NC(=O)CCN(Cc1ccncc1)C(=O)OC(C)(C)C)C(=O)Nc1ccc(SC#N)cc1 1867088259 VZNCKSUJWCNISR-OAQYLSRUSA-N 497.621 4.315 50 10 JIGE C[C@@H]1C[C@H](Br)CN1Cc1ccc(I)c(Br)c1 1904343175 FWLCDLVFFLYJLJ-SCZZXKLOSA-N 458.963 4.411 50 10 JIGE BrCC[C@@H]1CN(c2ncc(I)cc2Br)CCS1 2015763044 SZVWWOWCLMUHIF-SECBINFHSA-N 492.018 4.156 50 10 JIGE CN(C)CCN(Cc1ccccc1)S(=O)(=O)c1cc(CBr)ccc1Br 2059315276 XVPAVNQKUDPECO-UHFFFAOYSA-N 490.261 4.097 50 10 JIGE O=C(CCl)c1cc(OC(F)(F)F)c(I)cc1I 2060035404 INHRRICBYLZJRR-UHFFFAOYSA-N 490.384 4.216 50 10 JIGE O=S(=O)(c1cc(CCl)oc1Br)N1CC2(CC(OCc3ccccc3)C2)C1 2108790835 BQEGKVRIDIVACZ-UHFFFAOYSA-N 460.777 4.151 50 10 JIGE O=C(NC[C@H](Br)CBr)c1cc(Br)cc(C(F)(F)F)c1 2116356474 OEVBGOUGTWHFRU-SECBINFHSA-N 467.905 4.356 50 10 JIGE Cc1cc(Br)c([C@H](Br)[C@@H]2[C@H]3CS(=O)(=O)C[C@H]32)cc1Br 2117953813 SDBHFOCYXDWIHF-ZFWZSOMGSA-N 473.024 4.247 50 10 JIGE CC[C@@H]1CN(S(=O)(=O)c2cc(CCl)ccc2Br)CCN1Cc1ccccc1 2152174712 ZQHBSHJVNAPZEZ-GOSISDBHSA-N 471.848 4.473 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N[C@@](C)(CBr)C(F)F)cc1Br 2161368104 VNJRRLAMCDMHEW-NSHDSACASA-N 499.997 4.217 50 10 JIGE CC1(C)C[C@H](CBr)CN(C(=O)c2cccc(F)c2I)C1 2172576266 YTWROHXZOHMFBQ-SNVBAGLBSA-N 454.121 4.314 50 10 JIGE Cc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC[C@@H]2C)cc1CBr 2179789993 YIIYFXPZROWCBZ-SFHVURJKSA-N 451.430 4.175 50 10 JIGE O=S(=O)(c1csc(CBr)c1)N1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 2179818598 BIZNZXDEFQJFAH-XLIONFOSSA-N 469.470 4.318 50 10 JIGE C[C@H]1CC[C@@](CBr)(NS(=O)(=O)c2cc(Br)ccc2Br)C1 2194678647 INYAIPMMSRVWGH-TVQRCGJNSA-N 490.055 4.444 50 10 JIGE C=CC[C@@H](CBr)CNS(=O)(=O)c1cc(Br)c(C)cc1Br 2202049649 IBWMDOWPDDSUIZ-JTQLQIEISA-N 490.055 4.386 50 10 JIGE CC(C)(C)OC(=O)N1CC(O)(CN(CCCCCI)Cc2ccccc2)C1 2209247430 AJINZSZXUQXKDC-UHFFFAOYSA-N 488.410 4.076 50 10 JIGE CCCCCCCn1c(O)c(C(=O)NN=Cc2ccc(O)c(OC)c2)c(=O)c2ccccc21 2297748042 NFCJPSGBORJXJK-UHFFFAOYSA-N 451.523 4.156 50 10 JIGE Clc1ccc(CC23COC(CI)(C2)C3)cc1I 2300267154 GJQNZOWCCLKDMO-UHFFFAOYSA-N 474.507 4.471 50 10 JIGE BrC[C@@H]1[C@H]2C[C@@H]2CN1Cc1ccc(I)c(Br)c1 2306217381 PEMJBRACIQDOSF-GBIKHYSHSA-N 470.974 4.269 50 10 JIGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OC 2313545977 SWLCOCARKQLHJN-UHFFFAOYSA-N 470.367 4.112 50 10 JIGE CCCOc1ccccc1C=C(C#N)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1 2314774189 WYOHDHBNTNRVEP-UHFFFAOYSA-N 466.519 4.118 50 10 JIGE CC1(C)CC(N)CC(C)(C)N1C=C(C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324605373 SHJSVAOVNKJWRR-UHFFFAOYSA-N 485.676 4.308 50 10 JIGE O=C(N[C@H]1C[C@@H]2C[C@H]1C[C@H]2Br)c1ccc(Br)cc1I 2333350057 DTFHBZDZORFUSQ-RKXYQDBHSA-N 498.984 4.346 50 10 JIGE CN([C@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]12)S(=O)(=O)c1occc1CBr 2357091767 OWWVMBCXLZLNEH-VJANTYMQSA-N 454.386 4.179 50 10 JIGE O=S(=O)(c1cc(CBr)sc1Br)N1CC[C@@H](SC(F)F)C1 2365712695 UJWPJGKMXBYIBF-ZCFIWIBFSA-N 471.208 4.124 50 10 JIGE O=C(/C=C/c1ccccc1Cl)NC(=S)NNC(=O)COc1ccccc1-c1ccccc1 13981441 TXNPCMJAIDUVRZ-CCEZHUSRSA-N 465.962 4.121 50 10 JIGE Cc1ccc2[nH]c(-c3ccccn3)c(CCCC(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)c2c1 39852556 OXVQJBLNEMTLAX-UHFFFAOYSA-N 457.490 4.230 50 10 JIGE O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1)C(Cl)Cl 103219464 POGJOQUXPRQAFK-AWEZNQCLSA-N 469.781 4.328 50 10 JIGE O=C(N[C@@H](CBr)Cc1ccccc1)c1csc(I)c1 122433985 OUJFZVHLCGDTJJ-GFCCVEGCSA-N 450.139 4.089 50 10 JIGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1CCC[C@@H]1CBr 124698258 QHTFJINGSAVCSK-MRVPVSSYSA-N 451.995 4.304 50 10 JIGE CCOC(=O)[C@H]1C[C@H](OCc2ccc(Br)cc2)[C@H](I)C1 162535782 APOPLKPSOCYPNW-BNOWGMLFSA-N 453.114 4.111 50 10 JIGE COc1cc(/C=N\NC(=O)c2cccc(N)c2)ccc1OCc1ccc(Br)cc1 169894097 OHYMZRDDTMXRDP-MXAYSNPKSA-N 454.324 4.383 50 10 JIGE O=C1COc2ccc([C@H](Br)c3sccc3I)cc2N1 311647593 DGEAXAKCSZQQEC-LBPRGKRZSA-N 450.095 4.168 50 10 JIGE COC[C@](C)(CBr)N(C)C(=O)c1cc(Br)sc1Br 708398152 NQPIQARQTHGSPJ-NSHDSACASA-N 464.017 4.145 50 10 JIGE O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)NNC(=O)c1ccccc1OCc1ccc(F)cc1 725878067 QEVMVTQDFIXZRU-UHFFFAOYSA-N 487.318 4.363 50 10 JIGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)NC[C@@H]2CCCC[C@H]2C(C)(C)C)cc1 920850198 CWQITFAHRUDOON-CMDJDMHFSA-N 491.636 4.310 50 10 JIGE Cc1cc(C)c(OCC(=O)NN=Cc2cc(Br)cc(Br)c2O)c(C)c1 1084220136 PEKDOHNTIHRGGB-UHFFFAOYSA-N 470.161 4.372 50 10 JIGE COc1ccc(C=NNC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)cc1OC 1084321739 NOABXCICJYDAHU-UHFFFAOYSA-N 495.601 4.051 50 10 JIGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@H](c2cc([N+](=O)[O-])ccc2F)C1 1614688649 DDQBVUSEJWYPRB-ZWNOBZJWSA-N 450.248 4.119 50 10 JIGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OC)c(O)c2)cc1 1865682821 YBEVFEXLVUSVSO-QHCPKHFHSA-N 466.497 4.480 50 10 JIGE N#CSc1ccc(NC(=O)CNC(=O)Cc2ccc3nc(O)c(Cc4ccccc4)cc3c2)cc1 1868152769 APPDZCZEELCAIG-UHFFFAOYSA-N 482.565 4.402 50 10 JIGE O=C(N[C@H]1C[C@@H]([C@H](F)CBr)C1)c1c(Br)cccc1Br 1906548251 GPFOAAYLYAGRER-VHSKPIJISA-N 457.963 4.453 50 10 JIGE CN(C[C@@H](Br)COCc1ccccc1)S(=O)(=O)c1ccc(F)cc1Br 1916335620 UCZZLIBWZDKMEP-CQSZACIVSA-N 495.208 4.189 50 10 JIGE O=S(=O)(N[C@H]1CCC[C@H]1CCBr)c1cc(Cl)c(Br)s1 2090622259 VQTHCJQMSIRFJU-CBAPKCEASA-N 451.633 4.396 50 10 JIGE CCn1ncc(COc2c(Br)cc(Br)cc2CBr)n1 2115811493 WYOCXJCEHXSRJA-UHFFFAOYSA-N 453.960 4.297 50 10 JIGE O=C(NC[C@@H](Cl)CC(F)(F)F)c1cc(Br)ccc1I 2119066855 ZGCJLLGWESSZGT-ZETCQYMHSA-N 470.454 4.343 50 10 JIGE C[C@@H]1CN(S(=O)(=O)c2csc(CBr)c2)[C@H](C)[C@@H](C)N1Cc1ccccc1 2123225706 SFONJPOOXKSGNF-BZUAXINKSA-N 457.459 4.315 50 10 JIGE Cc1cc(CCl)cc(S(=O)(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)c1Br 2152158244 ICVPQBDFZQCJMJ-GOSISDBHSA-N 471.848 4.391 50 10 JIGE CC1(C)CO[C@H](CBr)CN1C(=O)c1c(Br)cccc1Br 2167531534 HPVJWVXWGORINE-SECBINFHSA-N 469.999 4.226 50 10 JIGE FC(F)(F)CC1(CBr)CCN(c2ncc(I)cn2)CC1 2188335357 XJOMMLOGJXKIOH-UHFFFAOYSA-N 464.067 4.015 50 10 JIGE CC1(C[S@@](C)(=O)=NC(=O)c2ccc(CBr)cc2)CN(C(=O)OC(C)(C)C)C1 2192782506 XDBWCGHSAUPXEY-HHHXNRCGSA-N 459.406 4.077 50 10 JIGE C[C@@]1(F)CN(S(=O)(=O)c2cc(CCl)sc2Br)C[C@@]1(C)Br 2205654889 KRBLXRHFYKVKGN-GHMZBOCLSA-N 469.623 4.136 50 10 JIGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1nn(C)nc1Br 2226971703 GISTWNJWXGOYHA-QMMMGPOBSA-N 474.378 4.486 50 10 JIGE C[C@@]1(CCl)C=CCCN1C(=O)c1ccc(Br)cc1I 2264392435 MBJFHQZNNKGWBA-AWEZNQCLSA-N 454.533 4.453 50 10 JIGE CC(C)(C)OC(=O)NCC1(NC(=O)C(C)(C)CCCl)CCN(Cc2ccccc2)CC1 2300164418 BLVSMQBWXQOYPY-UHFFFAOYSA-N 452.039 4.317 50 10 JIGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)NCCCOC(C)C)c(Oc3ccccc3Cl)nc12 2314436821 JSYPDHITSZBKDP-UHFFFAOYSA-N 480.952 4.287 50 10 JIGE COc1ccc(-c2csc(C(C#N)=C(O)[C@@H](C)N3C(=O)c4ccccc4C3=O)n2)cc1OC 2331242224 FLZRFRCBZZRSKM-CYBMUJFWSA-N 461.499 4.305 50 10 JIGE COc1ccc([C@H](Br)[C@@H]2COC3(CCC3)CO2)cc1I 2364133461 DRVSOFQPKLISFE-KBPBESRZSA-N 453.114 4.074 50 10 JIGE CCCCC(=O)Nc1ccc(C(=O)NNC(=O)[C@H](C)Oc2c(C)cc(Br)cc2C)cc1 14643351 CBSSMBXUUKVVKG-INIZCTEOSA-N 490.398 4.423 50 10 JIGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4)ccc32)cc1OC 38680879 YYCWWFONKNQSAW-MHZLTWQESA-N 484.508 4.463 50 10 JIGE COC(=O)c1ccccc1N(C)C(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccccc1C)CCC2 40811456 KVJIBWRMWIFPRK-VFCFBJKWSA-N 473.529 4.430 50 10 JIGE O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C1\C(=O)N(Cc2cccc3ccccc23)c2ccccc21 59166036 BIFMLSJDHAPYPP-WCTVFOPTSA-N 464.481 4.358 50 10 JIGE COc1cc([C@H](C(=O)NC2CCCC2)N(Cc2ccco2)C(=O)CCl)ccc1OC(C)C 97915047 BDOYRMDZQJGVLU-HSZRJFAPSA-N 462.974 4.443 50 10 JIGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1cccc(C)c1 206730323 CPPDMNZAVAXOPU-MOSHPQCFSA-N 460.486 4.195 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2CC[C@@H](C)[C@@H]2CBr)cc1Br 227191128 CYWWECMXJISFRT-PELKAZGASA-N 490.055 4.314 50 10 JIGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=C/C=C/c2ccc(C)o2)cc1OC 254710983 RQOFSNIXQBGOEC-KHWVTTGQSA-N 459.502 4.192 50 10 JIGE CO[C@]1(c2cc(OP(=O)(O)O)ccc2Cl)OOC12[C@H]1CC3C[C@H]2CC(Cl)(C3)C1 271776508 NOXRGRGCSIAHSL-DMVMQRHQSA-N 451.239 4.129 50 10 JIGE Cc1c(Br)cc(CCl)cc1S(=O)(=O)N1CC[C@@H](OCc2ccccc2)C1 383926966 UGDCYEYWKZZUDY-QGZVFWFLSA-N 458.805 4.476 50 10 JIGE COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NC3CCN(C(=O)CC(F)(F)F)CC3)c2C)cc1 726947614 DFRXFXWFEVLGLH-CPNJWEJPSA-N 488.510 4.069 50 10 JIGE CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NNc1nc(-c2ccccc2)no1 728080204 AUBYLGHISBZHLE-QGZVFWFLSA-N 462.337 4.331 50 10 JIGE Cn1cc(C(=O)NNS(=O)(=O)c2ccc(Oc3ccccc3Cl)cc2)c2ccccc21 734741157 FGHMTNOMWUKOQE-UHFFFAOYSA-N 455.923 4.247 50 10 JIGE CC(=O)N1C[C@@H](CBr)[C@@H](c2cc(Br)ccc2I)C1 1614643573 RMYNWKHUKVMCSI-SKDRFNHKSA-N 486.973 4.011 50 10 JIGE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNc1ccc(-c2ccc(Cl)s2)nn1 1638876020 ATPWBMOSUFZJMB-GFCCVEGCSA-N 458.371 4.338 50 10 JIGE Cc1ccccc1C(=O)NCc1ccc(S(=O)(=O)NC(=O)Nc2ccc(SC#N)cc2)cc1 1858664124 QSPCJFMSQVDAFG-UHFFFAOYSA-N 480.571 4.009 50 10 JIGE Cc1ccc(NC(=O)COc2cccnc2NC(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1C 1858683518 SHSYLNCDBGHFJG-UHFFFAOYSA-N 454.414 4.374 50 10 JIGE Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccc([N+](=O)[O-])cc2)cc1 1865712825 JCLFCGPUTSXUTA-QGZVFWFLSA-N 455.396 4.385 50 10 JIGE Cc1cc(F)c(C[C@H](Br)CN2C(=O)c3ccccc3C2=O)c(Br)c1 1905315499 ZUBIADRKTZNHSV-NSHDSACASA-N 455.121 4.499 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1C[C@H]2C[C@H]1C[C@H]2NC(=O)OC(C)(C)C 1985350817 WOFAFDUIGJBKSC-YLFCFFPRSA-N 461.694 4.174 50 10 JIGE C[C@H]1C[C@@H]1N(CCBr)c1ncc(I)cc1Br 1988531396 SBCXYMGCRXCOAG-XVKPBYJWSA-N 459.951 4.058 50 10 JIGE O=C(c1cc(Br)sc1Br)N1CCC(I)CC1 1992345297 QADDYYLXOSDMCL-UHFFFAOYSA-N 478.975 4.313 50 10 JIGE C[C@@H](Br)[C@H]1CCN1C(=O)c1cc(Br)ccc1I 2011148432 GBPKFJNMGDOPRH-RDDDGLTNSA-N 472.946 4.052 50 10 JIGE COc1ccccc1N1CCN(CC(=O)C(C#N)=C2NC(c3ccc(Cl)cc3)=CS2)CC1 2040464245 GMZMAXNXHLZAOC-UHFFFAOYSA-N 466.994 4.110 50 10 JIGE O=S(=O)(c1ccc(CBr)c(Br)c1)N(Cc1ccccc1)[C@@H]1CCOC1 2059390887 UQDGUFRTKNWSKS-MRXNPFEDSA-N 489.229 4.324 50 10 JIGE C[C@@]1(CBr)CCN(C(=O)c2ccc(Br)cc2I)C1 2086149960 UYDJHMSTPBVEDP-ZDUSSCGKSA-N 486.973 4.301 50 10 JIGE O=C(c1ccc(Br)cc1Br)N1CC[C@@H]2[C@@H](CBr)[C@@H]2C1 2093138563 VHECNMIJPMENGK-YUSALJHKSA-N 451.984 4.315 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1C[C@@H](Br)C2(CCC2)C1 2108695433 RZMVXDHODPIKGL-GFCCVEGCSA-N 454.533 4.334 50 10 JIGE CC[C@@H](C)[C@H](CI)NS(=O)(=O)c1ccc(Cl)c(Br)c1 2136493083 YEAQUPUUJMCDCV-PELKAZGASA-N 480.593 4.231 50 10 JIGE O=C(c1cc(Br)c(Br)s1)N1CC[C@H](OCCCBr)C1 2142055990 LJZVDPBNDSRFIH-QMMMGPOBSA-N 476.028 4.289 50 10 JIGE O=C(N[C@H]1COC2(CCN(C(=O)OCc3ccccc3)CC2)C1)[C@H](Br)C1CCCC1 2167033442 RJNLOZROYYDDMX-WOJBJXKFSA-N 479.415 4.017 50 10 JIGE Cc1sc(C)c(S(=O)(=O)N(C)[C@@H](CCBr)C(F)F)c1Br 2178519592 BKIWZUQCFYQJCE-QMMMGPOBSA-N 455.184 4.167 50 10 JIGE Cc1ccc(S(=O)(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)cc1CBr 2179786388 ZVOORRKMLUFCRH-GOSISDBHSA-N 451.430 4.175 50 10 JIGE CC[C@H]1CN(S(=O)(=O)c2ccc(CBr)cc2C)CCN1Cc1ccccc1 2179788213 ZSCDLXVAGGNRDL-FQEVSTJZSA-N 451.430 4.175 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2CCC[C@H]2[C@H](C)Br)cc1Br 2193587104 RSDPCCOJMSAZEZ-CABZTGNLSA-N 490.055 4.457 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1CC[C@@H](C(F)(F)CBr)C1 2197761349 BQMIWICFOVYBOB-SECBINFHSA-N 478.502 4.437 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)NCCC1(CBr)CC1 2277915820 MDOUISYJGICUNM-UHFFFAOYSA-N 454.000 4.436 50 10 JIGE Cc1[nH]c2ccc([N+](=O)[O-])cc2c1C=NNC(=O)C(=Cc1ccccc1)NC(=O)c1ccccc1 2295113288 BOLIPIKBXAOGGX-UHFFFAOYSA-N 467.485 4.306 50 10 JIGE CCCOc1c(Cl)cc(C=NNC(=O)c2cc(-c3ccccc3)nc(O)n2)cc1OCC 2323693648 MLKXMEUDDUJFHJ-UHFFFAOYSA-N 454.914 4.454 50 10 JIGE CCc1ccc(-c2csc(C(C#N)=C(O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)cc1 2331246127 FXVLZZDDFYXKCW-UHFFFAOYSA-N 460.471 4.370 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1CC(F)(F)C[C@H]1CBr 2340057422 JFUYPAXZBMWZND-QMMMGPOBSA-N 464.475 4.189 50 10 JIGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc([N+](=O)[O-])c2)c1C 38654023 GKJMEEVCEYIVJN-RUZDIDTESA-N 471.469 4.414 50 10 JIGE O=C(NNc1ncnc(NCc2ccc(Cl)cc2)c1[N+](=O)[O-])c1ccc(Br)cc1 40657059 NWHUHZMNLQWVPQ-UHFFFAOYSA-N 477.706 4.170 50 10 JIGE O=C(NC[C@@H]1CCCC[C@H]1CBr)c1cccc(F)c1I 721674407 ZZAYBCJKXJQCAB-QWRGUYRKSA-N 454.121 4.361 50 10 JIGE CCOc1ccc(C=NNC(=O)c2ccc(S(=O)(=O)c3ccc(C)cc3)cc2)c(OCC)c1 1081086938 ZDDJCYRJRSCGBO-UHFFFAOYSA-N 466.559 4.389 50 10 JIGE O=C(Cn1c(C(F)(F)F)nc2ccccc21)NN=C1C(=O)N(CCc2ccccc2)c2ccccc21 1084280085 MZQFNTHYOOFQQJ-UHFFFAOYSA-N 491.473 4.165 50 10 JIGE C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OCC 1084519271 NAIQNXFXNRRWBU-HMMYKYKNSA-N 494.389 4.116 50 10 JIGE CC(=NNC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(C)cc1)c1ccc(F)cc1 1084619891 XKZKAAHVBOZHAJ-UHFFFAOYSA-N 453.539 4.178 50 10 JIGE C=C(CBr)CN1CCN([C@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 1473254322 IPHZVPCOFKHUDL-CQSZACIVSA-N 459.310 4.385 50 10 JIGE C=CCn1c(S)nnc1-c1sc(NC(=O)[C@@]23CC[C@@H](C[C@H]2Br)C3)nc1C 1628357166 ZKPSNMHNWKHLLD-WVQJBOLRSA-N 454.419 4.077 50 10 JIGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2)c(OC)c1 1865708497 YGNXRLDWBGJCOI-GOSISDBHSA-N 456.424 4.186 50 10 JIGE CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccccc1OCc1ccccc1 1873795023 NXETUCDDTUIRDT-KXWHUPIZSA-N 457.596 4.362 50 10 JIGE O=C1c2ccccc2C(=O)N1C[C@H](Br)Cc1ccc(Br)c(F)c1F 1905401488 CHXQOSXZLMHWJT-SNVBAGLBSA-N 459.084 4.330 50 10 JIGE CC[C@H]1CCOC[C@@H]1OC1(CI)CCN(C(=O)OC(C)(C)C)CC1 1947170124 UFNYOEQYQSPSQT-GJZGRUSLSA-N 453.361 4.023 50 10 JIGE C[C@]1(CBr)CCN1C(=O)c1cc(Br)ccc1I 1947976347 JYTSQOPPJNFKOS-GFCCVEGCSA-N 472.946 4.053 50 10 JIGE O=C(NC1(CCBr)CC1)c1cc(Br)ccc1I 2017558101 WFDNDCOXURWTFO-UHFFFAOYSA-N 472.946 4.101 50 10 JIGE COc1ccccc1N=c1[nH]nc(SCC(=O)C(C#N)=C2Nc3ccccc3S2)s1 2040424996 MSFWJYYVXUNNTG-UHFFFAOYSA-N 453.574 4.326 50 10 JIGE Cc1c(C=NNC(=O)Cc2cn3ccsc3n2)c2ccccn2c1C(=O)c1ccc(F)cc1 2069668995 SVRMTDWESVMVKK-UHFFFAOYSA-N 459.506 4.020 50 10 JIGE CN1CCC[C@@H]([C@@H](Br)c2cccc(Br)c2Br)S1(=O)=O 2092335579 OMAANGKCLVNAEP-JQWIXIFHSA-N 476.028 4.072 50 10 JIGE O=S(=O)(c1cc(CBr)cs1)N1CCN(Cc2ccccc2)C2(CCC2)C1 2123225672 RXUGHZDRIWCVAI-UHFFFAOYSA-N 455.443 4.072 50 10 JIGE C[C@]1(CBr)COCCN(Cc2ccc(I)c(Cl)c2)C1 2142946344 ZWISCIQYFKRJEV-CQSZACIVSA-N 458.565 4.178 50 10 JIGE O=C(Cc1ccccc1I)NC[C@@H]1CCC[C@H](CBr)C1 2143867282 AFIMFXWVAJACMJ-QWHCGFSZSA-N 450.158 4.151 50 10 JIGE C[C@@H]1CCN(S(=O)(=O)c2ccc(Br)c(CCl)c2)CCN1Cc1ccccc1 2144829982 PJXNNSZAPGAYLO-MRXNPFEDSA-N 471.848 4.473 50 10 JIGE COc1cc([C@@H](Br)c2cc(Br)n(C)n2)c(OC)cc1Br 2150479858 XRXUVPSEOWRSPF-CYBMUJFWSA-N 468.971 4.447 50 10 JIGE CC1(C)[C@@H](CBr)OCCN1C(=O)c1cc(Br)cc(Br)c1 2159638346 BETNYDOMDKJZSR-GFCCVEGCSA-N 469.999 4.226 50 10 JIGE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ccc(CBr)cc2)C[C@H]1C(F)(F)F 2163051877 XOAATKGYFJKRMR-ZIAGYGMSSA-N 451.283 4.109 50 10 JIGE N#CC(=Cc1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1)C(=O)NCc1ccc(Cl)cc1 2297534105 ZRXRSFQOGRYFPH-UHFFFAOYSA-N 497.338 4.065 50 10 JIGE CCOc1c(Br)cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OC 2313545821 HZGGCTWPMLQLSS-UHFFFAOYSA-N 470.367 4.112 50 10 JIGE COc1ccc(C=NNC(=O)[C@H](C)NC(=O)OC(C)(C)C)cc1OCc1ccc(Cl)cc1 2328795010 WLVMMBYUXUREAS-HNNXBMFYSA-N 461.946 4.291 50 10 JIGE CCOc1cc(C=C(C#N)c2nc(O)c3ccc(C(=O)OC)cc3n2)cc(Br)c1O 2331046322 CYJURHUBPUXVSR-UHFFFAOYSA-N 470.279 4.053 50 10 JIGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NN=C2C(=O)Nc3ccc(C)c(Br)c32)cc1 12578773 GZZPSTIVPSQOMH-UHFFFAOYSA-N 491.345 4.404 50 10 JIGE O=C(/C=C/c1ccccc1Cl)NNC(=O)COc1ccc2ccccc2c1Br 13981261 YTONQYWJPGTOKY-ZRDIBKRKSA-N 459.727 4.495 50 10 JIGE O=C(NNC(=S)NC(=O)c1ccc(Cl)cc1Cl)c1ccc(NC(=O)c2ccccc2)cc1 13982228 JSDFBGUMSMSPKX-UHFFFAOYSA-N 487.368 4.195 50 10 JIGE CC(C)CCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(Cl)cc1Cl 14034388 RZKOPHFUCCFHGE-UHFFFAOYSA-N 484.405 4.133 50 10 JIGE CCOc1ccccc1Nc1ncnc(NNC(=O)c2ccccc2Br)c1[N+](=O)[O-] 40658396 UGQSEWYZYQPNLX-UHFFFAOYSA-N 473.287 4.047 50 10 JIGE COC(=O)c1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(OC)cc1)CCC2 40813853 KHUPYSPJWJOVRY-VFCFBJKWSA-N 475.501 4.106 50 10 JIGE CCOC(=O)c1c(NC(=O)N/N=C/c2cc(Br)c(O)c(OC)c2)sc2c1CCC2 40853748 ZAMIUPWHEMWSEX-ZVBGSRNCSA-N 482.356 4.046 50 10 JIGE O=C(CCc1nc2ccccc2nc1O)N/N=C\c1ccc(OCCCc2ccccc2)cc1 169887134 NHPWRMNMDICNLH-USHMODERSA-N 454.530 4.430 50 10 JIGE CCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)C1=O 214217013 SFWAOSKLBPNQBC-HMAPJEAMSA-N 480.524 4.313 50 10 JIGE CCOC(=O)[C@@H]1C[C@H](I)[C@H](OCc2cccc(Br)c2)C1 228877753 CGIYDDZDWRDIJU-KWCYVHTRSA-N 453.114 4.111 50 10 JIGE CC[C@@H](NS(=O)(=O)c1cc(Br)c(C)cc1Br)[C@@H](C)Br 386707734 OQYICEJCLOWVII-LDYMZIIASA-N 478.044 4.360 50 10 JIGE CC(C)(CNC(=O)c1cc(Br)cc(Br)c1)OCCBr 388357380 NETRDORHSOANOW-UHFFFAOYSA-N 457.988 4.132 50 10 JIGE CO[C@]1(c2ccc(Cl)c(OP(=O)(O)O)c2)OOC12[C@H]1CC3C[C@H]2CC(Cl)(C3)C1 514280154 AGMXMWDSGUBNPT-VWKQDAHXSA-N 451.239 4.129 50 10 JIGE C[C@@H](Br)[C@@H]1CCCCN1S(=O)(=O)c1cc(Cl)c(Br)s1 708496042 JLIYXRDTESAEIU-APPZFPTMSA-N 451.633 4.491 50 10 JIGE C/C(=C/c1c(Cl)cccc1Cl)C(=O)NNC(=O)COc1ccc(Br)cc1 1124151151 JRPYDNQYYVBMNO-LUAWRHEFSA-N 458.139 4.386 50 10 JIGE CC(=O)N1CCCc2cc(NC(=O)NNC(=O)c3ccc(-c4ccc(F)cc4)s3)ccc21 1649398799 NOUSFBPCIVMLHH-UHFFFAOYSA-N 452.511 4.320 50 10 JIGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2cc(-c3cncc(F)c3)ccc2C)cc1 1669250981 OXMQCKPNMOIGSD-INIZCTEOSA-N 450.470 4.019 50 10 JIGE COc1ccc(-c2ccc(C(=O)NNC(=O)CCC(=O)c3ccc(Cl)cc3)c(C)n2)cc1 1865757249 UDKYXPNJNWICEQ-UHFFFAOYSA-N 451.910 4.143 50 10 JIGE N#C/C(=C(/O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1nc(-c2ccc(F)cc2F)cs1 1872818064 LIGZVNHGHSFASI-SDXDJHTJSA-N 468.397 4.085 50 10 JIGE C[C@@H]1CN(Cc2ccccc2)CCN1S(=O)(=O)c1ccc(Cl)c(CBr)c1 1885142152 JYBOLQRQKUCVKR-OAHLLOKOSA-N 457.821 4.130 50 10 JIGE O=C(c1cccc(Br)c1Br)N1C[C@@H](Br)[C@H](C2CC2)C1 2092336533 YUVVYJTVQZUZMD-CMPLNLGQSA-N 451.984 4.457 50 10 JIGE O=C(N[C@H]1C[C@H]2C[C@H]1C[C@H]2Cl)c1cc(I)ccc1Br 2104402229 KVAKKPHNUJHYBG-BCWBERDBSA-N 454.533 4.189 50 10 JIGE O=C(N[C@H](CBr)c1cccs1)c1cccc(F)c1I 2119045958 RLIURAREGJKSHZ-SNVBAGLBSA-N 454.102 4.358 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CC2(CC(CBr)C2)C1 2142278782 HZIHDMXUPXTGDE-UHFFFAOYSA-N 498.984 4.301 50 10 JIGE O=S(=O)(c1cc(Cl)c(Br)s1)N1C[C@H]2CCC[C@]2(CBr)C1 2159404882 MAUYLMZCGMVLQH-PELKAZGASA-N 463.644 4.350 50 10 JIGE CN(Cc1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(CCl)c(Br)c2)C1 2169154024 QRVZCBRFIWRYCY-GOSISDBHSA-N 471.848 4.473 50 10 JIGE CC(F)(F)C[C@@H](CBr)NS(=O)(=O)c1ccc(Cl)c(Br)c1 2169538055 PCPWVRYXJCWHCG-ZETCQYMHSA-N 455.546 4.190 50 10 JIGE Cc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)C[C@@H](C)C2)cc1CBr 2179786068 VCTUUBLNEQCTRV-QGZVFWFLSA-N 451.430 4.033 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@H]2CC(Br)C[C@@H]2C1 2185090770 BLVGUAAMKMQFNS-RKDXNWHRSA-N 488.039 4.006 50 10 JIGE Cc1c([C@@H](Cl)c2cc(I)cc3c2OCC3)c(Br)nn1C 2188147289 LXSIVIFVNNRNHJ-LBPRGKRZSA-N 467.532 4.359 50 10 JIGE C=C[C@]1(CBr)COCCN1C(=O)c1ccc(Br)cc1Br 2199848105 JDQGTLPHMPAYGC-AWEZNQCLSA-N 467.983 4.004 50 10 JIGE O=C(NCCCCCI)c1ccc(Cl)c(I)c1 2248255417 QCQZMMUSBCYBFL-UHFFFAOYSA-N 477.511 4.280 50 10 JIGE CNC(=O)C(C#N)=C1S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccc(Br)cc1 2293038595 NMSKSJNLFCBHPZ-KRWDZBQOSA-N 476.783 4.275 50 10 JIGE CC(C)(CI)CN=[S@@](C)(=O)C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C 2306810909 YGENDZSRNHYBLI-RZFZLAGVSA-N 474.449 4.485 50 10 JIGE CCCCCOc1ccc(C=C2C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)cc1OCC 2314617854 BWVHFNODSNRSBY-FQEVSTJZSA-N 452.551 4.426 50 10 JIGE N#CC(=Cc1cccc(Br)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 2329697766 OSXXPTPLLRVWHT-UHFFFAOYSA-N 489.376 4.252 50 10 JIGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2cccc(Br)c2)sc2c1CCN(C)C2 2329699399 PFYMRVFUAIURSA-UHFFFAOYSA-N 474.380 4.221 50 10 JIGE COC(=O)[C@H](Br)C1(OCc2ccc(Cl)cc2I)CCC1 2365727161 IEPWUWJRMJAXPC-LBPRGKRZSA-N 473.532 4.320 50 10 JIGE CCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2[C@@H](C)CC)cc1 14029703 HZXODAAUSUROBZ-SFHVURJKSA-N 471.623 4.484 50 10 JIGE CC(C)COc1ccc(C(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 14030585 BLPRUEBHGOSMCS-CYBMUJFWSA-N 484.405 4.131 50 10 JIGE CC(C)(C)c1ccccc1OCC(=O)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 14666781 LHANATOPTNUOBC-UHFFFAOYSA-N 466.365 4.236 50 10 JIGE CCCc1nc(N2CCCN(C(=O)C(C)(C)CCl)CC2)c2cnn(-c3ccccc3)c2n1 35925552 PQNQHXNSSBWROQ-UHFFFAOYSA-N 455.006 4.072 50 10 JIGE COc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4cccc([N+](=O)[O-])c4)c(C)c32)c1 40822388 DHVMTFKDRGDDTR-LGUFXXKBSA-N 462.462 4.228 50 10 JIGE Cc1c(C(=O)N2CCC(C)CC2)oc2c1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 40823180 KSPZLTZIXDRIRL-KVSWJAHQSA-N 485.400 4.450 50 10 JIGE Cc1occc1C(=O)N/N=C1\C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21 59161387 RYVMRXUQDQMUGE-CLCOLTQESA-N 456.271 4.171 50 10 JIGE COc1cc(/C=C(\C#N)C(N)=O)ccc1OC(=O)/C=C\c1ccc(OCc2ccccc2)cc1 206425309 WREFRMILMCMRDM-XIABTENZSA-N 454.482 4.285 50 10 JIGE COc1ccc(/C=C\C(=O)Oc2ccc(C=NNC(=O)COc3ccc(C)cc3[N+](=O)[O-])cc2)cc1 254318748 HNRAEUHGBYVBOC-APEBYOCDSA-N 489.484 4.060 50 10 JIGE COc1ccc(OCc2cccc(Br)c2)c(C=NNC(=O)[C@H](O)c2ccccc2)c1 254346314 FSRKKTRAHFLHFM-JOCHJYFZSA-N 469.335 4.220 50 10 JIGE COc1ccc(O)c(C=NNC(=O)c2ccc(NC(=O)c3ccccc3Br)cc2)c1 254620127 LFCKUDUQCFLQAD-UHFFFAOYSA-N 468.307 4.180 50 10 JIGE Cc1ccc(S(=O)(=O)Oc2ccc(C=NNC(=O)CSCc3ccccc3)cc2)cc1 254818537 LFVMOWRSXMFZOD-UHFFFAOYSA-N 454.573 4.146 50 10 JIGE Cc1ccc(C=NNC(=O)[C@H](C)Sc2nnc(CNc3ccccc3)n2-c2ccccc2)o1 263630066 FOQGOEFNGLNSBD-SFHVURJKSA-N 460.563 4.412 50 10 JIGE Cn1nccc1CCOc1c(Br)cc(Br)cc1CBr 311820808 IEANWMJYDGANEY-UHFFFAOYSA-N 452.972 4.462 50 10 JIGE Cn1ncc([C@H](Br)c2cc(Cl)cc3c2OCC3)c1I 379148556 DRTXEXJGTXJMLC-LLVKDONJSA-N 453.505 4.097 50 10 JIGE C[C@]1(CBr)CCCN(S(=O)(=O)c2cc(Cl)c(Br)s2)C1 688838991 KGBNYDGDKOXEGH-LLVKDONJSA-N 451.633 4.350 50 10 JIGE O=C(CCCCc1ccc(I)cc1)NNC(=O)c1cccc2cccnc12 727731666 FJBPEMCNBOKVKU-UHFFFAOYSA-N 473.314 4.013 50 10 JIGE CN(Cc1cccs1)C(=O)COC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1 782091954 ALBFEXPQRXAXMP-LDADJPATSA-N 493.976 4.287 50 10 JIGE Cc1ccccc1CN(C)C(=O)[C@@H](C)OC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1 853447045 BZOUQIFGQHMOQP-SSHUPFPWSA-N 481.556 4.269 50 10 JIGE C#C[C@H](NC(=O)NNC(=O)c1ccc(Br)cc1Cl)c1ccc(Cl)cc1F 1312937221 MILNTSPTMYBGSM-HNNXBMFYSA-N 459.102 4.214 50 10 JIGE O=[N+]([O-])c1cc([C@H]2CN(Cc3ccccc3)C[C@@H]2CI)cc([N+](=O)[O-])c1 1614632779 FBRLICABURNEEV-MAUKXSAKSA-N 467.263 4.154 50 10 JIGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)c1ccco1)CCC2 1772746874 HZZVEYJWTNYWHT-UHFFFAOYSA-N 489.315 4.033 50 10 JIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2Cl)cc(OC)c1OC 1865691773 AOYWFUCBSSGBGF-OAQYLSRUSA-N 466.925 4.137 50 10 JIGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1cccc([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865706444 WWPSUPXIIRYNPZ-IBGZPJMESA-N 453.861 4.413 50 10 JIGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@@H]1C[C@H]1Br 1888846633 ZETDLTIXSPELFK-DLPLYFIVSA-N 457.368 4.203 50 10 JIGE CCOC(=O)Cc1c(I)cc(Br)cc1CBr 2054989748 QWZQNVCPHFQCSQ-UHFFFAOYSA-N 461.919 4.054 50 10 JIGE Brc1ccc(Br)c(CC[C@H](Br)CN2CCOCC2)c1 2118523693 BFHCTNDQLZQDNA-ZDUSSCGKSA-N 456.016 4.240 50 10 JIGE CN([C@H]1CN(Cc2ccccc2)C(C)(C)C1)S(=O)(=O)c1cc(CBr)cs1 2123230931 XKRXDQSHAJRAID-QGZVFWFLSA-N 457.459 4.317 50 10 JIGE O=C(c1ccc(Br)cc1I)N1[C@H]2CC[C@H]1[C@H](CCl)C2 2142282077 YXUPSSPQEDHYOL-FWDPORAESA-N 454.533 4.286 50 10 JIGE FC1(F)C[C@@H](CBr)N(c2ncc(C(F)(F)F)cc2I)C1 2159051289 JBCNGZSKSZNHFQ-ZETCQYMHSA-N 471.005 4.314 50 10 JIGE O=C(NC[C@]1(F)CC[C@H](CBr)CC1)c1ccc(I)cc1 2178579977 USNHVKJPHZHWKC-FUKZOUPISA-N 454.121 4.314 50 10 JIGE COCCCCN(Cc1ccccc1)S(=O)(=O)c1ccc(OCCBr)cc1 2179860728 WVKWKYPKSYKMMP-UHFFFAOYSA-N 456.402 4.078 50 10 JIGE CN(C)C(=O)C(C#N)=Cc1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Br)c1 2313568858 ZOTRTMZBTAEEFL-UHFFFAOYSA-N 463.715 4.375 50 10 JIGE COc1ccc(CCC(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2OC)cc1 2314790201 JYTUWINHZPRRRE-UHFFFAOYSA-N 460.486 4.058 50 10 JIGE CCc1cnccc1COC1(CI)CCN(C(=O)OC(C)(C)C)CC1 2317788677 IBLSZESKBNFJTH-UHFFFAOYSA-N 460.356 4.365 50 10 JIGE CCOc1c(Cl)cc(C=NNC(=O)c2cccn(Cc3cccc(C)c3)c2=O)cc1OC 2323620267 RBAZENWOJQLLMI-UHFFFAOYSA-N 453.926 4.030 50 10 JIGE N#CC(=CNc1ccc2c(c1)OCO2)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324608473 XAXIUYMLJIUBGW-UHFFFAOYSA-N 466.541 4.168 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CC[C@@H]2[C@H](C1)[C@@H]2CCl 2333114941 QYGULMBSDGTIBO-AXFHLTTASA-N 454.533 4.001 50 10 JIGE Cc1nc(N(C)Cc2c(Br)c(Br)nn2C)sc1CBr 2338992867 VNEIHNAGXJRPPI-UHFFFAOYSA-N 473.032 4.241 50 10 JIGE Br[C@@H](c1ccccc1)c1cn(Cc2sccc2I)nn1 2364024694 PCLBIHDLJOPNJW-AWEZNQCLSA-N 460.138 4.477 50 10 JIGE Cc1ccc(O[C@@H](C)C(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)cc1C 10153141 FGQAEAIKNLUZMW-UONOGXRCSA-N 469.763 4.102 50 10 JIGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)c2cccc(OC(C)C)c2)cc1 10471903 UCEAYLHGJLFNHG-UHFFFAOYSA-N 457.596 4.382 50 10 JIGE CC(C)(C)c1ccc(C(=O)NNC(=S)NC(=O)c2cccc(OCCOc3ccccc3)c2)cc1 14041113 KPAFJLHBWNKQCL-UHFFFAOYSA-N 491.613 4.391 50 10 JIGE Cc1ccc(S(=O)(=O)/C(C#N)=C\c2c(Oc3cccc(C)c3)nc3ccccn3c2=O)cc1 34876124 XCVDDHIUQKSROP-QNGOZBTKSA-N 457.511 4.442 50 10 JIGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1cccc(C)c1 40870035 MMYWYZYYNWHJQK-HYARGMPZSA-N 456.498 4.211 50 10 JIGE CCOc1cc(/C=C2\C(=O)N(CCOC)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 214288534 LYXUCYQGHDTRMJ-HMAPJEAMSA-N 460.530 4.211 50 10 JIGE COc1ccc(C=NNC(=O)CSc2nc3ccccc3n2Cc2ccccc2)cc1OC 254479039 RBVMYZBXCLIINF-UHFFFAOYSA-N 460.559 4.344 50 10 JIGE COc1ccc(N(CC(=O)NN=Cc2cccc3ccccc23)S(=O)(=O)c2ccccc2)cc1 254490154 PEPVDUUKXWIQQX-UHFFFAOYSA-N 473.554 4.194 50 10 JIGE O=C(Cc1nc(CCl)cs1)NCC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705616609 KPCNVMNYTUWTPN-UHFFFAOYSA-N 456.011 4.012 50 10 JIGE N#CCCn1cc(/C=C(\C#N)C(=O)Nc2cccc(C(=O)N=c3cc[nH]cc3)c2)c(-c2ccccc2)n1 725717055 GDOPKCCFRLBNEY-CJLVFECKSA-N 487.523 4.079 50 10 JIGE O=C(NNC(=O)[C@@H](Oc1ccc(F)c(Cl)c1)c1ccccc1)c1cc(Br)c[nH]1 730519393 KMXLFMHCJWJZAC-KRWDZBQOSA-N 466.694 4.151 50 10 JIGE CC1=C(C(=O)NN=Cc2ccc(N(C)C)cc2)[C@H](c2ccc(Cl)cc2Cl)NC(=S)N1 1083948536 ZTTZHUIJSKIYJV-IBGZPJMESA-N 462.406 4.003 50 10 JIGE CCS(=O)(=O)N(CC(=O)NN=Cc1c2ccccc2cc2ccccc12)c1ccc(OC)cc1 1084131934 WEHDURBSIDFPQW-UHFFFAOYSA-N 475.570 4.308 50 10 JIGE O=C(NN=C1C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21)c1ccccc1[N+](=O)[O-] 1084296412 BUMZZTZWCDOSAS-UHFFFAOYSA-N 497.280 4.177 50 10 JIGE C#CCOc1c(CC=C)cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OCC 1084322992 ODZFMNSXRVGFGQ-LYBHJNIJSA-N 455.558 4.082 50 10 JIGE CCOc1cc(C=NNC(=O)c2ccc(NC(C)=O)cc2)ccc1OC(=O)c1ccc(C)cc1 1084393628 RKVFMTKERDTLMD-UHFFFAOYSA-N 459.502 4.335 50 10 JIGE COc1ccc2c(c1)C(=NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1C)C(=O)N2CCC(C)C 1772719926 UJDVNEZVDRIBNQ-MRXNPFEDSA-N 457.958 4.338 50 10 JIGE CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865697317 ZMBABWQRKHDCNQ-LJQANCHMSA-N 469.314 4.319 50 10 JIGE Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc3c(c1)OCCO3)C(C#N)=C(N)O2 1865697923 FWSNMEJMEBHNOH-HXUWFJFHSA-N 455.301 4.477 50 10 JIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)cc2)cc(OC)c1O 1865714612 MYMHAZVKVGJUBU-MRXNPFEDSA-N 492.841 4.485 50 10 JIGE CC(C)(C)OC(=O)Nc1ccc(C(=O)NC[C@@H]2C[C@@H]2Br)cc1I 1897148247 DRPJCGIXXYMITG-QWRGUYRKSA-N 495.155 4.151 50 10 JIGE CSCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NNC(=O)OC(C)(C)C 1923386489 PCIVEDROYHPHIG-NRFANRHFSA-N 485.606 4.203 50 10 JIGE CN(CCN(Cc1ccccc1)S(=O)(=O)N1CCCC[C@H]1CBr)Cc1ccccc1 1984647761 ZURZGVBJAYFUPS-QHCPKHFHSA-N 494.499 4.115 50 10 JIGE CN(C[C@@H](Br)C1CC1)c1ncc(I)cc1Br 1988534313 IBLPBUSPXZVLRP-SNVBAGLBSA-N 459.951 4.058 50 10 JIGE COc1cc(C=C(C#N)S(=O)(=O)c2cc(Br)ccc2Br)ccc1O 2040461268 HSROXWZDXPWQRV-UHFFFAOYSA-N 473.142 4.264 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@H](C2CC2)[C@@H](Br)C1 2090685483 PITYOXDHPHHYFG-YPMHNXCESA-N 498.984 4.299 50 10 JIGE C[C@@H]1CN(C(=O)c2cc(Br)ccc2I)CC[C@@H]1CCl 2109038076 DZGLPDPMYRWWEV-NXEZZACHSA-N 456.549 4.391 50 10 JIGE O=C(c1cc(Br)ccc1I)N1[C@H]2CC[C@@H](C2)[C@H]1CCl 2122181266 VBAAGRGYKNKZRE-GMOODISLSA-N 454.533 4.286 50 10 JIGE CN(Cc1ccccc1)[C@@H]1CCN(S(=O)(=O)c2ccc(CBr)c(Cl)c2)C1 2123205939 PEYUKGYRPRXMRC-QGZVFWFLSA-N 457.821 4.130 50 10 JIGE O=C(c1cc(Br)c(Br)s1)N1CCO[C@@H]2C[C@H](Br)C[C@@H]21 2128866728 HHBDPEFWDQHYRV-BWVDBABLSA-N 474.012 4.040 50 10 JIGE CC1(C)C[C@H](Br)C[C@@H](NC(=O)Cc2ccccc2I)C1 2143873401 RCMOUDWVLIHWQE-CHWSQXEVSA-N 450.158 4.292 50 10 JIGE CN(Cc1sccc1Br)S(=O)(=O)c1cc(CCl)oc1Br 2156991381 VBSJJECWWIOKSX-UHFFFAOYSA-N 463.600 4.426 50 10 JIGE O=C(c1cc(I)ccc1F)N1[C@H](CBr)C[C@@H]2CCC[C@@H]21 2169662178 IYSPDTQDCWBUQN-CHIMOYNISA-N 452.105 4.208 50 10 JIGE CC1(C)CN(C(=O)c2cccc(F)c2I)C[C@H]1CCBr 2238445671 ZENJRIPYNZVJGW-SNVBAGLBSA-N 454.121 4.314 50 10 JIGE C[C@H]1CCN(C(=O)c2ccc(Cl)c(I)c2)C[C@H]1CBr 2268346480 QUKXZZLOMIRTPG-GXSJLCMTSA-N 456.549 4.438 50 10 JIGE CC(C)(CBr)CS(=O)(=O)N1CCC2(CCN(Cc3ccccc3)CC2)CC1 2290040592 PTLWYGUJKFNNNS-UHFFFAOYSA-N 457.478 4.116 50 10 JIGE C[C@H](Br)c1cn(Cc2ccc(I)c(Br)c2)nn1 2306249458 OIPDTXVTKRURBQ-ZETCQYMHSA-N 470.934 4.149 50 10 JIGE CCOc1ccc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1I 2313555958 GOKHYHGJQSSQFW-UHFFFAOYSA-N 485.325 4.437 50 10 JIGE O=C(c1csc(I)c1)N1C[C@@H]2C[C@@H](CBr)C[C@@H](C2)C1 2343321990 NJQCQFBGRYPELM-RTCCRHLQSA-N 454.171 4.236 50 10 JIGE Cn1nc(Br)c(Br)c1C(=O)NC[C@H]1CCCC[C@@H](Br)C1 2364227793 DNSFVASNDFYEFV-DTWKUNHWSA-N 472.019 4.019 50 10 JIGE COc1ccc(C=NNC(=O)CCCCCCCCC(=O)NN=Cc2ccc(OC)cc2)cc1 4706436 VGPDJPGTCWTTJF-UHFFFAOYSA-N 466.582 4.425 50 10 JIGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)CCCC(=O)OCCCc1ccccc1 14016854 DASPEAMSVGVMPO-INIZCTEOSA-N 481.376 4.254 50 10 JIGE Cc1cccc(C(=O)NNC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)c1 14669646 VYYNRULZBAMDKS-UHFFFAOYSA-N 453.336 4.454 50 10 JIGE CCOc1ccc(Nc2ncnc(NNC(=O)COc3ccc(Cl)cc3Cl)c2[N+](=O)[O-])cc1 40649606 UWNDHHONPHYNOJ-UHFFFAOYSA-N 493.307 4.356 50 10 JIGE CCOc1ccccc1Nc1ncnc(NNC(=O)C(c2ccccc2)c2ccccc2)c1N 40794990 WJXIHWDYAUCYFK-UHFFFAOYSA-N 454.534 4.476 50 10 JIGE Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)oc2c1/C(=N/NC(=O)c1cccs1)CCC2 40823658 HMRZCHMDHJNBIN-OVVQPSECSA-N 480.565 4.221 50 10 JIGE COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)o1 59676665 RUAWJCDLWKXJMK-OBGWFSINSA-N 458.474 4.119 50 10 JIGE C=CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)C1=O 101231064 XZAVLVWCJPZQPP-HYARGMPZSA-N 478.508 4.089 50 10 JIGE Cc1cc(C=NNC(=O)Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)n1-c1ccc(C(=O)O)cc1 254821511 ROKDAHAUGVMPBS-UHFFFAOYSA-N 488.422 4.412 50 10 JIGE COc1ccccc1OCC(=O)NN=Cc1sc(N2CCCCC2)nc1-c1cccs1 254854416 GMGPBSDNEUKWBH-UHFFFAOYSA-N 456.593 4.400 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1C[C@H]2C[C@@H](Br)C[C@H]1C2 709822309 KVMIKYBIEZDZAE-JMJZKYOTSA-N 454.533 4.333 50 10 JIGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@H](c2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)C1 725384268 VEZOVEDNVFJONF-CVEARBPZSA-N 464.272 4.250 50 10 JIGE CCCc1ccc(C(=O)NNc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2[N+](=O)[O-])cc1 729294569 LGHMYDHJTAPTBE-UHFFFAOYSA-N 484.534 4.114 50 10 JIGE Cc1cc(C=NNC(=O)CC(=O)NCc2ccccc2)c(C)n1-c1ccc(Br)cc1 1084139677 IXUFMCTXFXADAU-UHFFFAOYSA-N 467.367 4.013 50 10 JIGE CC(=NNC(=O)COc1c(C)cc(Br)cc1Br)c1cccc([N+](=O)[O-])c1 1084490360 IBLOKWUYXZVJFX-UHFFFAOYSA-N 485.132 4.347 50 10 JIGE CC(=O)CCc1ccc2oc(C(=O)NNc3c(F)cc(C(=O)NC4CC4)cc3F)c(C)c2c1 1623424944 DCTXHMWRCDTGKL-UHFFFAOYSA-N 455.461 4.190 50 10 JIGE O=C(CCN1C(=O)c2ccccc2C1=O)NNC(=O)c1ccc(-c2ccc3ccccc3c2)s1 1860391414 FTPYUSOCYMESBY-UHFFFAOYSA-N 469.522 4.016 50 10 JIGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)c1 1865692979 QJODOKKVTFYEIN-SFHVURJKSA-N 474.414 4.325 50 10 JIGE Fc1cc2c(cc1I)nc(CCCl)n2C[C@@H]1C[C@@H]1Br 1887725178 PTGSNOSEYVAGCH-YUMQZZPRSA-N 457.512 4.345 50 10 JIGE CC[C@@H](Br)CN(Cc1ccccc1)Cc1nn(C)cc1I 1890812412 YEGDUCGRMQAXPP-CQSZACIVSA-N 462.173 4.200 50 10 JIGE C[C@H](Br)C(C)(C)CNS(=O)(=O)c1cc(Br)ccc1Br 1913846419 CIXSJBFBZXMLSM-QMMMGPOBSA-N 478.044 4.300 50 10 JIGE C[C@H]1[C@@H](Br)CCN1C(=O)c1ccc(I)c(Br)c1 1914403841 XZHQQVFNAVOFFM-CBAPKCEASA-N 472.946 4.052 50 10 JIGE CC1([C@H](Br)c2cc(Br)c(Br)s2)CS(=O)(=O)C1 1938939752 SVBDWHWRISOEIG-SSDOTTSWSA-N 453.015 4.144 50 10 JIGE C[C@@H]1C[C@H](Br)CCN1C(=O)c1ccc(Br)cc1I 2086154150 RAKHWFONEQNJBA-PSASIEDQSA-N 486.973 4.442 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@@H](Br)C2(CCC2)C1 2108695136 ONNKGPZNSHYQAW-GFCCVEGCSA-N 498.984 4.443 50 10 JIGE CC(C)[C@@H]1CN(S(=O)(=O)c2csc(CBr)c2)CCN1Cc1ccccc1 2123232721 VHRVBFGHQUURFP-IBGZPJMESA-N 457.459 4.174 50 10 JIGE BrCc1cc(Br)c(OCC2COCCOC2)c(Br)c1 2131439190 XYLRVSCRIWLMEG-UHFFFAOYSA-N 458.972 4.148 50 10 JIGE C#CC[C@](C)(CBr)CNC(=O)c1ccc(I)c(Cl)c1 2140714420 PEFWBQFCPLDCLG-CQSZACIVSA-N 454.533 4.099 50 10 JIGE CC1(C)CCN(C(=O)c2cc(I)ccc2F)C[C@@H]1CBr 2169662710 FMWNJIHRSYTAMK-JTQLQIEISA-N 454.121 4.314 50 10 JIGE Cc1cc(C)c(S(=O)(=O)N(CCCN(C)C)Cc2ccccc2)cc1CBr 2179858198 LIHJKWCCQGEGEP-UHFFFAOYSA-N 453.446 4.341 50 10 JIGE C[C@H](CCl)CC1CN(C(=O)c2ccc(I)c(Br)c2)C1 2230536181 JMCJBDCXKOOBIK-VIFPVBQESA-N 456.549 4.391 50 10 JIGE COC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OCc3ccccc3F)cc2)sc(C(N)=O)c1C 2295343727 CQLSHURGWGFECW-UHFFFAOYSA-N 493.516 4.206 50 10 JIGE COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)C(C#N)=Cc3ccc(OC)cc3)c2C)cc1 2297392926 ARKSRXRHZROUKL-UHFFFAOYSA-N 472.497 4.222 50 10 JIGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)C1=Cc1ccc(-c2ccc(Br)cc2)o1 2314618358 LXKZOULCTYGXQJ-GOSISDBHSA-N 467.319 4.480 50 10 JIGE CN(C[C@@H](Br)C1CCCC1)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364213381 GSCPWFOEVSPTHH-HXUWFJFHSA-N 499.471 4.058 50 10 JIGE CC(C)c1cc(Br)ccc1OCC(=O)NNC(=O)COc1ccc(Cl)cc1Cl 9231584 GQQRXDGECMGRFS-UHFFFAOYSA-N 490.181 4.485 50 10 JIGE Cc1ccc(O[C@H](C)C(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Br)cc1C 10153159 FGQAEAIKNLUZMW-KGLIPLIRSA-N 469.763 4.102 50 10 JIGE COc1cc(/C=C(/C#N)c2ccccc2OC)ccc1OC(=O)CCN1C(=O)c2ccccc2C1=O 31901988 YHKPGVMEJCGEIU-CYVLTUHYSA-N 482.492 4.360 50 10 JIGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)cc1 38701356 BRYYQDOFDGKLOW-DQEYMECFSA-N 470.481 4.049 50 10 JIGE CCCCOc1ccc(Nc2ncnc(NNC(=O)c3ccc(OC)cc3)c2[N+](=O)[O-])cc1 40620055 FEIDZWSXYBDRCU-UHFFFAOYSA-N 452.471 4.073 50 10 JIGE Nc1c(NNC(=O)c2ccccc2Cl)ncnc1Nc1ncc(C(F)(F)F)cc1Cl 40784940 ZTBZNFUKEFTFDR-UHFFFAOYSA-N 458.231 4.280 50 10 JIGE O=C(CSc1nnc(CNc2ccccc2)n1-c1ccccc1)N/N=C/c1ccccc1[N+](=O)[O-] 59884555 GKWIRMOOIIWNOY-CVKSISIWSA-N 487.545 4.030 50 10 JIGE COCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)C1=O 214289569 XEOCCELYOYNVFC-JLPGSUDCSA-N 466.541 4.477 50 10 JIGE O=C(NCCCCCI)c1cc(Cl)ccc1I 236048537 JIXUINMHDMFWTA-UHFFFAOYSA-N 477.511 4.280 50 10 JIGE COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=C/C=C/c2ccc(C)o2)cc1OC 254710986 RQOFSNIXQBGOEC-PNRUBYOFSA-N 459.502 4.192 50 10 JIGE C[C@H](Br)c1cn(-c2ccc(I)cc2Br)nn1 300919987 XPXFGSUMDNVYGP-LURJTMIESA-N 456.907 4.090 50 10 JIGE CC(C)[C@@](C)(CBr)NS(=O)(=O)c1cc(Br)ccc1Br 398553521 OVEWBNRCVQWUHX-GFCCVEGCSA-N 478.044 4.300 50 10 JIGE COc1cc(OC)cc(C(=O)N2CCC(C(=O)NN=Cc3ccc(Cl)c(Cl)c3)CC2)c1 1084361909 ALLIFTDDWJDURU-UHFFFAOYSA-N 464.349 4.013 50 10 JIGE CC(C)(C)SCC(=O)NN=C1C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21 1084387013 UWGVHERBVMSCCB-UHFFFAOYSA-N 478.387 4.487 50 10 JIGE C=CCn1c(SCC(=O)NN=C(c2ccccc2)c2ccccc2)nc2ccccc2c1=O 1643438781 UFMOYMNNPLWUBD-UHFFFAOYSA-N 454.555 4.243 50 10 JIGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2c(F)cccc2Cl)c1OC 1865701207 OYQSBXLRJCBSOS-HXUWFJFHSA-N 454.889 4.268 50 10 JIGE CC[C@@H](NC(=O)CCc1csc(-c2ccncc2)n1)C(=O)Nc1ccc(SC#N)cc1 1867063702 OWPYNASDSCUYJM-LJQANCHMSA-N 451.577 4.244 50 10 JIGE C[C@@H](CCCCCI)NC(=O)c1csc(I)c1 2006102036 ISGJZMDAVNUGID-VIFPVBQESA-N 477.149 4.466 50 10 JIGE C[C@@H]1CCN(C(=O)c2ccc(Br)cc2I)C[C@H]1Br 2086146769 FDQNZPHMJCMDPQ-LDYMZIIASA-N 486.973 4.299 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CC[C@H](Cl)[C@H]2CC[C@H]21 2133738185 VUOBPZINNPEQJV-SUZMYJTESA-N 454.533 4.286 50 10 JIGE CN(C[C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(Br)c(CCl)c1 2144828611 CZECINNTFPQGHR-QGZVFWFLSA-N 471.848 4.331 50 10 JIGE O=C(Cc1ccccc1I)N(CCBr)Cc1ccsc1 2171091682 DCAOCFRPLDIRIN-UHFFFAOYSA-N 464.166 4.319 50 10 JIGE Cc1cc(Br)c(CCl)c(-n2cnc3c(I)ncnc32)c1 2177724724 UIVJWAIOWQTQPF-UHFFFAOYSA-N 463.504 4.230 50 10 JIGE C[C@H]1CN(C(=O)c2cc(Br)ccc2Br)C[C@H](CCBr)O1 2179373386 FJWRLNGCWBPHDJ-ONGXEEELSA-N 469.999 4.226 50 10 JIGE O=C(N[C@H]1COC2(CCC2)[C@H]1Br)c1cc(Br)ccc1Br 2206484070 HQEJZLFKVBUPLZ-RYUDHWBXSA-N 467.983 4.026 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@H]([S@](C)(=O)=NCCCCCI)C1 2211183069 BQLVIQOCUSHAPR-PSLXWICFSA-N 458.406 4.089 50 10 JIGE Cc1ccc(I)c(C(=O)N2CC[C@H](Br)C(F)(F)CC2)c1 2240906407 UREMJCQVJPEKCD-LBPRGKRZSA-N 458.084 4.234 50 10 JIGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2c[nH]nc2-c2cccc([N+](=O)[O-])c2)sc(C)c1C 2314487443 IOXGVIPQIAZKQZ-UHFFFAOYSA-N 465.491 4.386 50 10 JIGE CCCCOc1cc(C=C(C#N)C(=O)Nc2sc3c(c2C(N)=O)CCCC3)ccc1OC 2314571833 MXTOINWINKVCEN-UHFFFAOYSA-N 453.564 4.459 50 10 JIGE CC(C)(C)OC(=O)N1C[C@H](I)[C@@H](O[C@H]2CCOc3ccc(F)cc32)C1 2317049831 DKSNASVCYIHIGS-BPUTZDHNSA-N 463.287 4.089 50 10 JIGE COc1ccc(CCN2C[C@@H](C(O)=C(C#N)c3nc(C(C)(C)C)cs3)CC2=O)cc1OC 2331307139 JWJAWFAKBWXRPR-INIZCTEOSA-N 455.580 4.342 50 10 JIGE O=C(N[C@H](CCBr)COCc1ccccc1)c1c(F)c(F)c(F)c(F)c1F 2369430631 GKXQAOIZGRYHFS-LLVKDONJSA-N 452.217 4.482 50 10 JIGE COC(=O)[C@H](Br)C1(OCc2cc(I)ccc2Cl)CCC1 2380360959 LLIVNCTWNZBTDS-LBPRGKRZSA-N 473.532 4.320 50 10 JIGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccc(Cl)cc4)c(=O)c32)cc1OC 2203505 RPKOQQGGDOJUNE-JOCHJYFZSA-N 463.921 4.094 50 10 JIGE CCCCN(C)S(=O)(=O)c1ccc(C(=O)NNc2nc3c(OC)ccc(Cl)c3s2)cc1 9447781 CJSVGYFARCVHJY-UHFFFAOYSA-N 483.015 4.136 50 10 JIGE CCCCC(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(OCCOc3ccccc3)cc2)cc1 14039527 VESBSEZIVWRQCS-UHFFFAOYSA-N 475.545 4.348 50 10 JIGE CCCCC(=O)Nc1ccc(C(=O)NNC(=O)c2cc(Br)ccc2OC(C)C)cc1 14668072 YWLBPSPVYIAPPB-UHFFFAOYSA-N 476.371 4.440 50 10 JIGE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OC)c(OC)c2)cc1 38658664 RWZFYSCQRBLYFZ-SANMLTNESA-N 472.497 4.079 50 10 JIGE COc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 59500451 FZZQTVHOKLLGKJ-CFRMEGHHSA-N 498.289 4.349 50 10 JIGE COc1ccc(/C=C(/C#N)C(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1 97994132 BIKBIOGFSLQLOR-ODLFYWEKSA-N 458.470 4.165 50 10 JIGE N#C/C(=C/Nc1ccc(S(=O)(=O)NC(=N)N)cc1)c1nc(-c2cccc3ccccc23)cs1 103698957 YPODJVXBLVKMBT-SSZFMOIBSA-N 474.571 4.112 50 10 JIGE C/C(=N\NC(=O)COc1c(C)cc(Br)cc1Br)c1ccccc1O 104588254 ORDOKJPBOFQIEW-RGVLZGJSSA-N 456.134 4.145 50 10 JIGE C[C@H](Sc1nnc(C23CC4CC(CC(C4)C2)C3)n1-c1ccccc1)C(=O)NNC(=O)C1CCC1 253573421 RKCKKNBRSGQROG-BTVKBFDZSA-N 479.650 4.163 50 10 JIGE Cc1ccc(CSc2nnc(SCC(=O)NN=Cc3cccc([N+](=O)[O-])c3)s2)cc1 254376377 UGYPJRURNGLPJT-UHFFFAOYSA-N 459.578 4.289 50 10 JIGE COc1ccc(-c2n[nH]cc2C=NNC(=O)C2c3ccccc3Oc3ccccc32)cc1OC 254383201 CUCHRDHFRIPXQU-UHFFFAOYSA-N 454.486 4.482 50 10 JIGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccc(O)cc3)nnc2-c2ccc(C)cc2)cc1 254493484 SZPBQJCJSUFMRL-UHFFFAOYSA-N 473.558 4.199 50 10 JIGE CC(=NNC(=O)/C(=C/c1ccc(N(C)C)cc1)NC(=O)c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 254738224 NHXAQQBTPWEPRS-DSYCHJDCSA-N 489.507 4.111 50 10 JIGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccccc3F)nnc2-c2ccccc2)cc1 254823924 CZYRCVDUBGJEEQ-UHFFFAOYSA-N 461.522 4.324 50 10 JIGE FC(F)(F)CN(CCBr)c1ncc(C(F)(F)F)cc1I 686110617 FCFSJIZQSDNWEZ-UHFFFAOYSA-N 476.984 4.469 50 10 JIGE CC(C)(C)OC(=O)N1C(C)(C)CC2(CC(=O)O[C@H]2CI)CC1(C)C 725243764 GXHDRWOQPXYVSI-LBPRGKRZSA-N 451.345 4.311 50 10 JIGE CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NNc2ccc(F)c(F)c2F)c1 728717340 QNRXMLYHINIUOE-UHFFFAOYSA-N 483.899 4.335 50 10 JIGE CC(=O)N(c1ccc(Cl)cc1)c1nc(C=NNC(=O)c2cc(Br)cn2C)cs1 917544773 KEAHGXKLWICWTG-UHFFFAOYSA-N 480.775 4.346 50 10 JIGE COc1cc(C=NNC(=O)COc2c(C)cc(C)cc2C)ccc1OCc1ccc(C(=O)O)cc1 1084084689 CAIRORLFDFCXRB-UHFFFAOYSA-N 476.529 4.427 50 10 JIGE CSc1ccc(C=NNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 1084108672 ZIFOBFHXQNCXLD-UHFFFAOYSA-N 467.616 4.371 50 10 JIGE COc1ccc(C(=O)NN=Cc2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)cc1OC 1084322255 KRVPWYIDUZTXRW-UHFFFAOYSA-N 496.432 4.085 50 10 JIGE CCCN(CCC)C(=O)COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3CC(C)C)cc1OC 1865709026 LWEFPSNHQFBXFJ-RUZDIDTESA-N 495.624 4.102 50 10 JIGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2cc(OC)c(O)c(OC)c2)cc1 1865714799 QKNICKJYJVAFJX-QHCPKHFHSA-N 496.523 4.489 50 10 JIGE Brc1cc(I)cnc1N1C[C@H](Br)CC2(CC2)C1 2015767683 SJSSHSFWFKNIDT-MRVPVSSYSA-N 471.962 4.203 50 10 JIGE C=CCn1c(SCC(=O)C(C#N)=C(c2ccc(F)cc2)N2CCOCC2)nnc1-c1ccccc1 2040470058 ZGRXVMCHTYKIED-UHFFFAOYSA-N 489.576 4.198 50 10 JIGE O=C(CBr)c1cc(I)cc(C(F)(F)F)c1OC(F)F 2060376907 WGVVCTMLJLTCTO-UHFFFAOYSA-N 458.946 4.489 50 10 JIGE C[C@H](NS(=O)(=O)c1cc(Br)ccc1Br)C(C)(C)CBr 2090542741 RZLPGDOEQAZJJV-QMMMGPOBSA-N 478.044 4.300 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@H]2C[C@H]1CC[C@@H]2Br 2142278816 ILWGZGDHUMGOFZ-UISBYWKRSA-N 498.984 4.442 50 10 JIGE O=C(NC[C@H]1CCCC[C@H](Br)C1)c1ccc(I)c(O)c1 2163745730 LFSIQVUQQYBHJK-JQWIXIFHSA-N 452.130 4.070 50 10 JIGE CC[C@H]1CN(S(=O)(=O)c2ccc(CBr)cc2F)CCN1Cc1ccccc1 2179785390 LLEXVWYNLNAWCF-SFHVURJKSA-N 455.393 4.006 50 10 JIGE CC(C)(C)OC(=O)N1CCN(CCCCCI)C[C@@H]1C(F)(F)F 2211188837 GKSDONSPKYJORL-GFCCVEGCSA-N 450.283 4.075 50 10 JIGE O=C(N[C@@H]1CC[C@H]2C[C@]21CBr)c1ccc(Cl)c(I)c1 2268342320 SKGFLUBZSXOHQU-BHYNMZESSA-N 454.533 4.238 50 10 JIGE CCOc1cc(Br)c(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OC 2313568548 WPCPRWKGJBUFBG-UHFFFAOYSA-N 470.367 4.112 50 10 JIGE N#CC(=Cc1ccccc1)C(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 2325306874 FXWGKWAPVLFFNF-SANMLTNESA-N 482.536 4.345 50 10 JIGE COc1ccc(-c2csc(C(C#N)=C(O)CNC(=O)c3cc(OC)c(OC)c(OC)c3)n2)cc1C 2331259099 KDMGSRKSKDSIEY-UHFFFAOYSA-N 495.557 4.376 50 10 JIGE O=C(N[C@@H]1C[C@@H]2C[C@H]1C[C@@H]2Br)c1ccc(Cl)c(I)c1 2334379758 KUIZOUVJXDKHLR-AVWBDOJWSA-N 454.533 4.236 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1CC[C@@H]2[C@H](CBr)[C@@H]2C1 2340055347 DZQRDRITVZCADN-ADEWGFFLSA-N 454.533 4.048 50 10 JIGE ClC[C@H](C[C@@H]1CCCO1)NCc1ccc(I)c(Br)c1 2349858239 VNEWXMCGTDSISM-RYUDHWBXSA-N 458.565 4.320 50 10 JIGE CS[C@@H]1CN(S(=O)(=O)c2cc(CBr)sc2Br)C(C)(C)C1 2360510499 JVUWPYLKDDSIPR-VIFPVBQESA-N 463.282 4.310 50 10 JIGE O=C(N[C@@H]1C[C@@H](CBr)C12CCC2)c1c(F)cccc1I 2379715116 AYOJMQWRXQPUFL-JOYOIKCWSA-N 452.105 4.114 50 10 JIGE CCc1ccc(/C=C2/SC(=S)N(CCCC(=O)NNc3ccc([N+](=O)[O-])cc3)C2=O)cc1 33904438 RPQUDAWTJAAFEY-XMHGGMMESA-N 470.576 4.282 50 10 JIGE O=C(c1cc(Br)ccc1Br)N1CCC(OCCBr)CC1 161231836 KMJCBVHCYASJPB-UHFFFAOYSA-N 469.999 4.228 50 10 JIGE COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=C(C)/C=C/c2ccco2)cc1OC 254400537 JSXJJVAWIPWUHM-CLGQRTHSSA-N 459.502 4.273 50 10 JIGE C[C@H](Br)[C@@H]1CCN(S(=O)(=O)c2cc(Br)ccc2Br)C1 719788529 YGLSVFILRMHSQW-DTWKUNHWSA-N 476.028 4.006 50 10 JIGE C[C@H]1CN(C(=O)c2ccc(I)c(Br)c2)C[C@@]1(C)CCl 721619485 GRPSJOYQRMKBMI-LKFCYVNXSA-N 456.549 4.391 50 10 JIGE Cc1ccccc1-n1c(C)cc(/C=C(\C#N)C(=O)NC2CCN(C(=O)CC(F)(F)F)CC2)c1C 726949528 ZTELFNNICXWNOF-DEDYPNTBSA-N 472.511 4.369 50 10 JIGE N#CCCn1cc(/C=C(\C#N)C(=O)N2CCC[C@H](n3ccnc3)C2)c(-c2ccc(Cl)cc2)n1 728541299 GILXWILTFUKXIV-JJEHFPDLSA-N 459.941 4.084 50 10 JIGE Cc1ccc(N(CC(=O)NN=Cc2ccc(N(C)C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1083992478 LMXZPEBRENBDTF-UHFFFAOYSA-N 485.009 4.060 50 10 JIGE CC(=NNC(=O)COc1ccc(Br)cc1Br)c1ccc([N+](=O)[O-])cc1 1084006175 GCZRPAPHDLUWDX-UHFFFAOYSA-N 471.105 4.039 50 10 JIGE CCCCOc1ccc(C=NNC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccccc2)cc1 1084251042 SIQOEHDOSFZVEU-UHFFFAOYSA-N 495.601 4.220 50 10 JIGE N#CCOc1c(Br)cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc1Br 1084269501 RUDDOPCNFOJCDJ-KRWDZBQOSA-N 495.171 4.078 50 10 JIGE CCN1C(=O)C(=NNC(=O)COc2ccc(Cl)cc2Cl)c2cc(Br)ccc21 1084428734 GTURHFRMOSMKDN-UHFFFAOYSA-N 471.138 4.022 50 10 JIGE CCOc1ccccc1NC(=O)C(=O)NN=Cc1cc(C)n(-c2ccc(Br)cc2)c1C 1084571504 GTLYKHXWRLULFJ-UHFFFAOYSA-N 483.366 4.344 50 10 JIGE C#CCCOc1ccc(C(=O)NNc2nc3ccccc3c(=O)n2-c2cccc(C)c2C)cc1 1136795549 YPIPJSWOMDSNCU-UHFFFAOYSA-N 452.514 4.162 50 10 JIGE CC(=O)N1C[C@@H](CI)[C@H](c2cc(C(F)(F)F)ccc2Br)C1 1614695999 WWSFISOGSXQPDN-BXKDBHETSA-N 476.074 4.465 50 10 JIGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2cccc(Oc3ccccc3F)c2)cc1 1680472609 GZJUXUPVAJNVOZ-MRXNPFEDSA-N 451.454 4.441 50 10 JIGE O=S(=O)(c1cccc2nsnc12)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915172596 OPQOIWILQXUFOD-MRXNPFEDSA-N 452.399 4.056 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@H](Br)CC2(CC2)C1 1925959753 ZJTQHQJFYITXKU-SNVBAGLBSA-N 498.984 4.443 50 10 JIGE CCOC(=O)Cc1cc(I)c(CBr)cc1Br 2054989023 JWAHDGQAUROHLB-UHFFFAOYSA-N 461.919 4.054 50 10 JIGE CN1CCC[C@@H]([C@@H](Br)c2cc(Br)ccc2Br)S1(=O)=O 2089531802 OEMMUEKJOJXAHU-RYUDHWBXSA-N 476.028 4.072 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@@H]2C[C@@H](CBr)[C@@H]2C1 2117681432 LRGXAEXXFBHVLY-AUTRQRHGSA-N 498.984 4.157 50 10 JIGE O=C(c1csc(Br)c1Br)N1C[C@H](CBr)OCC12CC2 2127555613 NOQCKJOWMIHDJG-ZETCQYMHSA-N 474.012 4.042 50 10 JIGE Clc1cc(CN2CC[C@@]3(C[C@@H](Br)CO3)C2)ccc1I 2142952831 KWGZOQWFSUEWGT-BXUZGUMPSA-N 456.549 4.073 50 10 JIGE Cc1ccc(CBr)cc1S(=O)(=O)N(C)C[C@@H]1CCN(Cc2ccccc2)C1 2179787245 MBGCCCDGOUDNCC-FQEVSTJZSA-N 451.430 4.033 50 10 JIGE CN(C[C@H]1C[C@@H](Br)C1)C(=O)[C@H](NC(=O)OC(C)(C)C)C1CCC(F)(F)CC1 2196914355 MRXOZMSSVBYNBZ-VHDGCEQUSA-N 453.368 4.337 50 10 JIGE O=C(c1csc(Br)c1Br)N1CCO[C@@H]2C[C@H](CBr)C[C@@H]21 2199782308 ZILOZJAZDIZRSM-FKTZTGRPSA-N 488.039 4.288 50 10 JIGE O=S(=O)(c1cc(CBr)sc1Br)N1CCC[C@H]1C(F)(F)F 2204359295 VRCBIQWIDJCRAT-QMMMGPOBSA-N 457.131 4.121 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@@]12CC[S@](=O)(=NCC1(CBr)CC(F)C1)C2 2265632545 NRSIGIZRBWLJCP-NNCIJHGASA-N 453.418 4.141 50 10 JIGE CN(Cc1ccc(I)cc1)S(=O)(=O)c1ccc(CBr)s1 2280261247 HYIGEFTVBSFWHV-UHFFFAOYSA-N 486.194 4.068 50 10 JIGE COc1ccccc1NC(=O)C(C#N)=Cc1c(Oc2ccc(C)cc2)nc2ccccn2c1=O 2296720263 GWGYVLVGHPECPQ-UHFFFAOYSA-N 452.470 4.350 50 10 JIGE COc1ccc([C@H](C)NC(=O)C(C#N)=CNc2ccc(I)cc2)cc1OC 2325051653 XRLUJJITZYZSGD-ZDUSSCGKSA-N 477.302 4.005 50 10 JIGE C[C@@H](Br)[C@H]1CN(Cc2ccc(I)c(Br)c2)CCO1 2325231658 WIBKSVLYUUKHGZ-NOZJJQNGSA-N 488.989 4.038 50 10 JIGE Cc1ccc(C)c(-c2csc(C(C#N)=C(O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)c1 2331320014 AQJWFIBMWIVKQY-UHFFFAOYSA-N 460.471 4.424 50 10 JIGE COC[C@]1(CBr)C=CCN1C(=O)c1cc(Br)c(Br)s1 2351727068 XYGCVZXBZDPIIE-GFCCVEGCSA-N 474.012 4.065 50 10 JIGE O=S(=O)([C@H]1C[C@H](OCc2ccccc2)C1)N1CC[C@H](C2CCC(Br)CC2)C1 2381278099 HDTWEQXYMNKAGE-QNJPLATASA-N 456.446 4.340 50 10 JIGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)N/N=C/c1cccc(O)c1 20806216 LKAFGNIBPJVQQZ-SQAVSUBZSA-N 470.986 4.066 50 10 JIGE C/C(=N/NC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1ccccc1Br 33569504 JQGYSBWIGSWYST-BKUYFWCQSA-N 478.393 4.465 50 10 JIGE Cc1cc(C)cc(OCC(=O)NN/C=C2\C(=O)N(c3ccc(C)c(C)c3)C(=O)c3ccccc32)c1 38183792 DNLIAQPENFQRNT-MYYYXRDXSA-N 469.541 4.148 50 10 JIGE CCc1ccc(Oc2ncnc(NNC(=O)c3ccc(Br)cc3)c2[N+](=O)[O-])cc1 40657926 SGMPRCGWIKCCOU-UHFFFAOYSA-N 458.272 4.259 50 10 JIGE Nc1c(NNC(=O)c2ccccc2Br)ncnc1N1CCC(Cc2ccccc2)CC1 40729393 OMRYZRTZMNGMCW-UHFFFAOYSA-N 481.398 4.037 50 10 JIGE COc1ccc(OC)c(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(F)cc2)CCC3)c1 40811863 DWGYMKXNTQQLCZ-MTDXEUNCSA-N 465.481 4.467 50 10 JIGE Cc1c(C(=O)NCc2ccco2)oc2c1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 40823263 KZLBPQQJUPEXGR-IPBVOBEMSA-N 483.340 4.101 50 10 JIGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\Nc3cccc(C(F)(F)F)c3)C2=O)cc1OC 101234956 XVTREARFCOBGRA-XSFVSMFZSA-N 485.462 4.470 50 10 JIGE CCc1nnc(NS(=O)(=O)c2ccc(N/C=C(/C=O)c3nc4cc(Cl)ccc4o3)cc2)s1 103861816 SKJVFUIUEWSROH-BENRWUELSA-N 489.966 4.348 50 10 JIGE CCCOc1ccccc1/C=C(/C#N)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1OC 206987284 XWBVRLCEFIMCSK-CYVLTUHYSA-N 471.579 4.060 50 10 JIGE Cc1c(O)cccc1[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1CI 382690451 IAFATHXPKAHHQR-SJLPKXTDSA-N 451.304 4.488 50 10 JIGE COc1ccc([C@@H](Br)c2nn(C)cc2Br)c(OC)c1Br 693044351 OMBOQMGMVITYAM-SNVBAGLBSA-N 468.971 4.447 50 10 JIGE CCOC(=O)C1CCC(NC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)CC1 749574326 DUPGIKNVEADPRF-XMHGGMMESA-N 479.968 4.262 50 10 JIGE COc1cc(OC)cc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)c3ccc4c(c3)OCO4)cc2OC)c1 917623570 CTZNFOXXZWQLRB-UFWORHAWSA-N 487.464 4.450 50 10 JIGE Cc1cccc(N(CC(=O)NN=Cc2ccc(Br)cc2)S(=O)(=O)c2ccccc2)c1 1084426431 DFHVYOPGXSDYQF-UHFFFAOYSA-N 486.391 4.103 50 10 JIGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(C)n(-c3cc(C(=O)O)ccc3C)c2C)cc1 1084453962 SLERMODNTLWKJE-RUZDIDTESA-N 477.561 4.463 50 10 JIGE C=CCn1c(S)nc2cc(C(=O)NNc3ccc(Cl)c(C(F)(F)F)c3)ccc2c1=O 1300382941 CCJKFNSQZOQIGW-UHFFFAOYSA-N 454.861 4.300 50 10 JIGE C#C[C@H](NC(=O)NNC(=O)Nc1ccc(Cl)cc1Cl)c1ccc(Br)cc1 1682356385 GEUWEWYOJFVUES-AWEZNQCLSA-N 456.127 4.466 50 10 JIGE Cc1c(C(=O)N=c2cc[nH]cc2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772747412 HMYPSUBQVWGLHH-UHFFFAOYSA-N 457.317 4.434 50 10 JIGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccccc2[N+](=O)[O-])cc1 1865710255 SEDJPOOENQXGGJ-MRXNPFEDSA-N 457.368 4.026 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OC[C@](C)(F)C(F)(F)F)C1 2017066165 HBUPGLUNSTUMDW-KBPBESRZSA-N 469.257 4.498 50 10 JIGE CCOC(=O)Cc1c(Br)ccc(CBr)c1I 2054974971 HQMJHNSXXCJFPK-UHFFFAOYSA-N 461.919 4.054 50 10 JIGE O=S(=O)(c1ccc(CBr)cc1Br)N(Cc1ccccc1)[C@@H]1CCOC1 2059311847 BYYXUENSPSWNCI-MRXNPFEDSA-N 489.229 4.324 50 10 JIGE O=C(CBr)c1cc(C(F)(F)F)c(I)cc1OC(F)F 2060378115 KAXUEODCHGDFIG-UHFFFAOYSA-N 458.946 4.489 50 10 JIGE O=S(=O)(N[C@H]1CC[C@@H](CBr)C1)c1cc(Br)ccc1Br 2090015094 RTHPASKTFRFZGZ-SCZZXKLOSA-N 476.028 4.054 50 10 JIGE O=C(N[C@@H]1C[C@H](CBr)[C@H]2C[C@H]21)c1cc(Br)ccc1I 2110549050 LEUOQXAPKXVTBC-QYVSTXNMSA-N 498.984 4.203 50 10 JIGE C=C(Br)CN(C)S(=O)(=O)c1cc(CBr)c(Cl)cc1Cl 2123245484 ILPMHZPSUWGYRA-UHFFFAOYSA-N 451.995 4.417 50 10 JIGE Brc1ccc(CN2C[C@H]3COC[C@@H](C2)[C@H]3Br)c(Br)c1 2132541376 CCAQLAFCZUMHGY-GNXNZQSNSA-N 454.000 4.053 50 10 JIGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1C[C@@H]2C(CBr)[C@H]2C1 2146869049 SWDJIIKOCVNYAD-RKDXNWHRSA-N 464.006 4.017 50 10 JIGE Cc1cc(S(=O)(=O)N2CC(F)(F)C[C@@]2(C)CBr)sc1Br 2159045869 DRPOWMFUFBTVNJ-JTQLQIEISA-N 453.168 4.002 50 10 JIGE C[C@H]1CC[C@H](CBr)N(S(=O)(=O)c2cc(Br)ccc2Br)C1 2166915024 HPFDSYLDASHPMC-GXSJLCMTSA-N 490.055 4.396 50 10 JIGE CC(C)(C)OC(=O)NC[C@@]1(C(F)(F)F)CCCN1C(=O)[C@@H](Br)C1CCCC1 2167034314 WBYXIIIKYSNNAD-SUMWQHHRSA-N 457.331 4.388 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2C[C@H]3C[C@H]2C[C@H]3Br)cc1Br 2172064653 MWXMEYUSLKYJCY-WCABBAIRSA-N 488.039 4.066 50 10 JIGE C[C@H]1CN(Cc2ccccc2)CCN(S(=O)(=O)c2ccc(Cl)c(CBr)c2)C1 2179793587 WNGQESPQYCHZFC-INIZCTEOSA-N 471.848 4.378 50 10 JIGE Cc1oc(CBr)cc1S(=O)(=O)N(C)[C@H]1CC(C)(C)[C@H]1OCc1ccccc1 2179813445 WVWVNJPQUQSCBC-HKUYNNGSSA-N 456.402 4.487 50 10 JIGE Cc1cc(S(=O)(=O)N2C[C@@H](C)CN(Cc3ccccc3)C[C@H]2C)sc1CBr 2179823567 LDURMOBUYDFLEM-DOTOQJQBSA-N 471.486 4.483 50 10 JIGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1C[C@@H](F)C[C@H](Br)C1 2234679329 KTMHGTOPJVDLHY-YUMQZZPRSA-N 469.985 4.252 50 10 JIGE COc1cc(OC)c([C@@H](Br)c2cc(I)sn2)cc1OC 2289385031 HRWGFBFHYLFWAI-CYBMUJFWSA-N 470.126 4.258 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N[C@@H]1CC[C@@H]2C[C@@]21CBr 2295313727 OBXYMEPKUWRNHW-WDBKCZKBSA-N 466.011 4.434 50 10 JIGE O=C(NN=Cc1cccc([N+](=O)[O-])c1)C(=Cc1cccs1)NC(=O)c1ccccc1Cl 2297450812 NFPRCDVOOJBIHT-UHFFFAOYSA-N 454.895 4.231 50 10 JIGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2Cl)c(OC)c1 2314777184 SANUJJPMJDERKH-UHFFFAOYSA-N 457.870 4.299 50 10 JIGE C[C@H]1CN(CCOCCI)c2ccccc2CN1C(=O)OC(C)(C)C 2326655421 XLMLFOUAAKKPKI-HNNXBMFYSA-N 460.356 4.084 50 10 JIGE O=C(N[C@@H]1C[C@@H]2C[C@H]1C[C@H]2Br)c1cc(Br)ccc1I 2330904801 XRLLHQOWKWYAOJ-HTLPYRINSA-N 498.984 4.346 50 10 JIGE CCc1ccc(-c2csc(C(C#N)=C(O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n2)cc1 2331246143 HJJUAFDHSJDRND-UHFFFAOYSA-N 460.471 4.370 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@H]2CC[C@H]1[C@@H](Br)C2 2349962273 ZZLUHVWCLMSGLH-QWRKXWFKSA-N 498.984 4.442 50 10 JIGE O=C(c1cc(Br)ccc1Br)N(CCBr)C1CCOCC1 2381880901 FLJZOFHFHGDZKO-UHFFFAOYSA-N 469.999 4.228 50 10 JIGE Cc1cccc(OCC(=O)NNC(=O)c2cc(Br)ccc2OCCC(C)C)c1C 14650823 XUASUPOQIATPPA-UHFFFAOYSA-N 463.372 4.331 50 10 JIGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)c(C)c4)ccc32)cc1 38683591 GTBFDKSXFRBAOU-SANMLTNESA-N 484.508 4.293 50 10 JIGE CNC(=O)/C(C#N)=C1/S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(Cl)cc1 102976083 SEROIOZAUZLWLU-BJMRFWQKSA-N 476.783 4.275 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1CC[C@@H](CCBr)C1 125196927 UFCKZLUUQXGIHY-SECBINFHSA-N 476.028 4.007 50 10 JIGE O=S(=O)(NC[C@@H]1CC[C@@H](Br)C1)c1cc(Br)ccc1Br 227791603 DABHRRXYDUXEEL-RKDXNWHRSA-N 476.028 4.054 50 10 JIGE O=C(N[C@H]1CCCC[C@H]1Br)c1cc(I)ccc1Br 232486507 MFXXESVBEJINOS-NEPJUHHUSA-N 486.973 4.490 50 10 JIGE C[C@@H](Br)C(C)(C)NC(=O)c1cc(I)ccc1Br 235107011 DDLJXHSJQXENMF-SSDOTTSWSA-N 474.962 4.346 50 10 JIGE Cc1ccccc1C(=O)Oc1ccc(C=NNC(=O)C(=O)Nc2cccc3ccccc23)cc1 254911845 QAWAKJMQVIILCM-UHFFFAOYSA-N 451.482 4.456 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CCC[C@H]1CCBr 385049757 NHJOXAQMLPIOJS-JTQLQIEISA-N 486.973 4.443 50 10 JIGE CC1(C)C[C@H](Br)CCN(C(=O)c2ccc(I)c(O)c2)C1 395356890 VHZMOYWCTZYQMP-LLVKDONJSA-N 452.130 4.023 50 10 JIGE Br[C@H]1C[C@@]23C[C@@H](Br)[C@@H](Br)C[C@@]2(C[C@H]1Br)O3 396162712 QUGBRDPBXHAGDV-RBJBGQHSSA-N 467.821 4.136 50 10 JIGE C[C@H]1CCN(C(=O)c2cc(I)ccc2Br)C[C@@H]1CCl 700415216 MFCDDORKOJHQLA-UWVGGRQHSA-N 456.549 4.391 50 10 JIGE O=C(NCC1(CBr)CCOCC1)c1cc(Br)sc1Br 700892863 IEKPACOYQFHKIV-UHFFFAOYSA-N 476.028 4.195 50 10 JIGE C[C@H]1CN(C(=O)c2ccc(I)c(Br)c2)C[C@H](C)C1Cl 721618403 CFRJVGPEHNGVDM-IUCAKERBSA-N 456.549 4.389 50 10 JIGE O=C(N[C@@H]1CCC[C@@H](Br)C1)c1ccc(I)c(Br)c1 721622711 SKHIUPDPUMFKBS-NXEZZACHSA-N 486.973 4.490 50 10 JIGE Cc1cc(C)c(C)c(S(=O)(=O)NC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)c1C 916801807 AVWHJSBJTIDBLR-HMAPJEAMSA-N 487.585 4.110 50 10 JIGE O=C(NN=Cc1cccc2ccccc12)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1083995748 IMCPPNDOVIQGCB-UHFFFAOYSA-N 455.967 4.044 50 10 JIGE CCOc1ccc(C(=O)NN=Cc2cc(I)c(OCC)c(OCC)c2)cc1 1084596306 XYHNSDUACWLKPH-UHFFFAOYSA-N 482.318 4.251 50 10 JIGE Cc1nn(-c2nc(O)c(C#N)c(-c3ccccc3)n2)c2c1[C@H](c1ccc(Cl)cc1)C(C#N)=C(N)O2 1616047882 JJVLFDBNPRUDEJ-HXUWFJFHSA-N 481.903 4.087 50 10 JIGE COc1ccc(-c2csc(/C(C#N)=C(\O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n2)cc1Cl 1872757427 FRHYRWADOKJLSV-SDXDJHTJSA-N 496.888 4.469 50 10 JIGE Br[C@H](c1cc(I)cc2c1OCC2)[C@@H]1C[C@H]1Br 1897125150 MZXLTBZTZVPPGI-IEBDPFPHSA-N 457.931 4.446 50 10 JIGE CN(C[C@H](Cl)COCc1ccccc1)C(=O)c1ccc(F)cc1I 1916355809 YYNQLWDVPGYPNI-AWEZNQCLSA-N 461.702 4.327 50 10 JIGE C[C@H](CBr)N(Cc1ccccc1)S(=O)(=O)C1CC(OCc2ccccc2)C1 1954526973 PDDAKBORUKMVHV-MDMXATFFSA-N 452.414 4.350 50 10 JIGE C[C@@H](Br)[C@@H]1CCCN1c1ncc(I)cc1Br 1990075953 UEAKXNAJILUOBQ-XCBNKYQSSA-N 459.951 4.201 50 10 JIGE CCc1c(C(=O)CBr)ccc(I)c1I 2060148063 WOTADVFTEDCRMP-UHFFFAOYSA-N 478.893 4.036 50 10 JIGE O=S(=O)(N[C@@H](CBr)C(F)(F)F)c1c(Cl)cc(Br)cc1Cl 2146606559 JIYCYSPVHPYWHE-ZETCQYMHSA-N 479.927 4.360 50 10 JIGE CC(C)(C)[C@H]1C[C@@H](CBr)CN(S(=O)(=O)C2CC(OCc3ccccc3)C2)C1 2164997706 DAAOFIRSIBONNT-VCAKUFKGSA-N 458.462 4.443 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@]12CC[S@@](=O)(=NC(=O)[C@@H](Br)C1CCCC1)C2 2167030916 BMZUARJYSKQVOC-BRRBHNQVSA-N 463.438 4.108 50 10 JIGE CC(C)(C)OC(=O)N1CC[C@@H](C(F)(F)F)N(C(=O)[C@@H](Br)C2CCCC2)CC1 2167034410 RSTVRBIMFVXWTK-KBPBESRZSA-N 457.331 4.340 50 10 JIGE Cc1cc(S(=O)(=O)N2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)sc1CBr 2179823104 FTSSQCQZJUUZOJ-MSOLQXFVSA-N 469.470 4.094 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@H](Cl)CCC12CC2 2227472065 DUBQHYBUCAAIOX-SECBINFHSA-N 454.533 4.430 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N1CC(CCCBr)C1 2277933051 NVOAUXZGKIAVQP-UHFFFAOYSA-N 454.000 4.388 50 10 JIGE C[C@@H](Cl)c1nc2cc(Br)ccc2n1-c1cnn(C)c1I 2280056877 MCNZLTDCMNMUNS-SSDOTTSWSA-N 465.520 4.426 50 10 JIGE COc1cc(C=CC(=O)NN)cc(I)c1OCc1cccc2ccccc12 2293940991 SSIIPCIAPGZUCW-UHFFFAOYSA-N 474.298 4.035 50 10 JIGE CC(C)(C)OC(=O)N1CCC(NC=C(C#N)C(=O)NC(c2ccccc2)c2ccccc2)CC1 2324837761 KJOVLLHHKOQQAB-UHFFFAOYSA-N 460.578 4.289 50 10 JIGE O=C(N[C@@H](CBr)C[C@@H]1CCCO1)c1ccc(Cl)cc1I 2365597745 KAEHDRODBQEATI-MNOVXSKESA-N 472.548 4.007 50 10 JIGE COc1cccc([C@H]2C(C#N)=C3N=C(N)c4ccccc4N3C3=C2C(=O)CC(C)(C)C3)c1OC 3654499 WPZPSXCZSBCVNY-QFIPXVFZSA-N 454.530 4.405 50 10 JIGE Cc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1Br 13982207 IKBLROLZFGNHMA-UHFFFAOYSA-N 452.308 4.085 50 10 JIGE C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)COc1ccc(Cl)cc1Br 14031570 LNKDUEKWZAXEHB-CYBMUJFWSA-N 477.742 4.249 50 10 JIGE CC(C)Oc1ccccc1C(=O)NC(=S)NNC(=O)c1ccccc1OCc1ccccc1 14664809 UWTPLDAYRUFRRP-UHFFFAOYSA-N 463.559 4.002 50 10 JIGE CC(C)(C)c1ccccc1OCC(=O)NNC(=O)COc1ccc(Cl)cc1Br 14666847 CHNMJWDHVBIHJO-UHFFFAOYSA-N 469.763 4.005 50 10 JIGE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)NCCc2ccccc2)c1 33704934 DMUDLRIBCLSKIW-XLNRJJMWSA-N 464.525 4.370 50 10 JIGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccccc4)ccc32)cc1OC 38659680 RVNRWNRDWQQHPK-SANMLTNESA-N 456.498 4.460 50 10 JIGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4C)ccc32)c1 38659752 NGUUDGQHXAVWGS-AREMUKBSSA-N 472.497 4.215 50 10 JIGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4OC)ccc32)c1 38684864 AMXSTVUSYYPRGF-SANMLTNESA-N 472.497 4.296 50 10 JIGE O=C(NNc1ncnc(Nc2ccc(Br)cc2)c1[N+](=O)[O-])c1cccc(Cl)c1 40649188 DBWJRGUYDCIOPE-UHFFFAOYSA-N 463.679 4.301 50 10 JIGE COc1cc(/C=N/NC(=O)c2nc3ccccc3s2)ccc1OCc1ccc(C(=O)O)cc1 59160224 JTFJMEWFXXSNDL-DHRITJCHSA-N 461.499 4.346 50 10 JIGE NNC(=O)c1cccc(COc2c(Br)cc(Br)cc2Br)c1 110555162 FEKUNWYWDXTNFH-UHFFFAOYSA-N 478.966 4.157 50 10 JIGE CCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C(C#N)=C/c2ccccc2OCCC)c(OC)c1 206990946 WBECAAXGSCLKHH-AZUPUNDDSA-N 473.529 4.430 50 10 JIGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)C(=O)Nc2cccc(OC)c2)cc1 254291309 XPOMQNZFVFTGSL-UHFFFAOYSA-N 497.507 4.165 50 10 JIGE CC(CC(=O)Nc1ccc(Br)cc1)=NNC(=O)c1cccc(Br)c1 254623194 GZXGPXHXBINHAB-UHFFFAOYSA-N 453.134 4.346 50 10 JIGE FC(F)(F)Oc1cc(Br)c(I)nc1CBr 396148328 AWASJZPEXSAWKM-UHFFFAOYSA-N 460.813 4.242 50 10 JIGE CO[C@@]1(CBr)CCCN(C(=O)c2cc(Br)sc2Br)C1 401623151 SUJSLAKGOQRHAV-GFCCVEGCSA-N 476.028 4.289 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CCC[C@H](Br)CC1 721576347 FQWNXANXVGNPLU-JTQLQIEISA-N 486.973 4.443 50 10 JIGE C[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NN=Cc1c(-c2ccccc2)nc2sccn12 886014670 IPYOLFGFHIJRCG-KRGUIMPISA-N 475.618 4.234 50 10 JIGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)cc1 1084007608 OMPGIKVSNSEBQW-DEOSSOPVSA-N 463.534 4.155 50 10 JIGE COc1ccc(CC(=O)NN=Cc2ccc(OCC(=O)Nc3ccccc3Cl)cc2)cc1OC 1084391722 ZOQWKODXRCGFLF-UHFFFAOYSA-N 481.936 4.068 50 10 JIGE CCOc1ccc(NC(=O)C(=O)NN=Cc2cc(C)n(-c3ccc(Br)cc3)c2C)cc1 1084532413 FATIAQAXIZMGOX-UHFFFAOYSA-N 483.366 4.344 50 10 JIGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1cc(OC)c(OC)c(OC)c1)C(C#N)=C(N)O2 1865692453 MEVVIYMXMVGBEC-JOCHJYFZSA-N 478.524 4.267 50 10 JIGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1cc(Cl)c(O)c(OC)c1)C(C#N)=C(N)O2 1865707010 LPAFJCFCVHYJIX-FQEVSTJZSA-N 466.925 4.419 50 10 JIGE C[C@H](/C(O)=C(\C#N)c1nc(-c2ccc3c(c2)OCCO3)cs1)N1C(=O)c2ccccc2C1=O 1872751017 PZVYJJHSAKXRHV-PWNVGIJBSA-N 459.483 4.059 50 10 JIGE C[C@@H]1C[C@H](CBr)CN1C(=O)c1cc(Br)ccc1I 2038891544 UHHJINLFAOTSAI-RKDXNWHRSA-N 486.973 4.299 50 10 JIGE O=S(=O)(c1cc(CBr)sc1Br)N1CCC(=CBr)C1 2059265172 QOCDZDMJPLDNGG-UHFFFAOYSA-N 480.041 4.079 50 10 JIGE Clc1ccc(I)c(CN2CCC[C@@H](OCCBr)C2)c1 2113866491 JEXOHVZTFVDMCH-CYBMUJFWSA-N 458.565 4.321 50 10 JIGE O=S(=O)(c1ccc(CBr)c(Br)c1)N1CC=C(Br)CC1 2123362429 FVXGNLCFXYIRMJ-UHFFFAOYSA-N 474.012 4.017 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1CC[C@H](Br)[C@H]2CC[C@@H]21 2133721215 BSLBZAPVAHKXBM-NRUUGDAUSA-N 454.533 4.333 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@H]2[C@H](Br)CC[C@H]2C1 2142278678 GMGWESAYXAKMFO-XXILOJSOSA-N 498.984 4.299 50 10 JIGE Clc1cc(CN2CCC[C@@H](OCCBr)C2)ccc1I 2142949328 IOUAVLYAEDTTOD-GFCCVEGCSA-N 458.565 4.321 50 10 JIGE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)c2ccc(CBr)cc2)CC1(C)C 2162590110 YAOYRMLAMOKWQS-HNNXBMFYSA-N 461.422 4.038 50 10 JIGE CC1(C)CO[C@H](CBr)CN1C(=O)c1ccc(Br)cc1Br 2167529867 BMXMKQPDTWAGBV-SNVBAGLBSA-N 469.999 4.226 50 10 JIGE C[C@@H](Br)C12CCC(CC1)N2C(=O)c1cc(I)ccc1F 2169663592 JAKXIFCLLAQVAR-IWPPJYEWSA-N 452.105 4.351 50 10 JIGE CC(C)(C)OC(=O)N[C@@H]1CN(CCCCCI)CC[C@@H]1C(F)(F)F 2214697751 ROLANAFFNANHPQ-QWHCGFSZSA-N 464.310 4.369 50 10 JIGE Cc1cccc(C(=O)NCC2(CBr)CC(F)(F)C2)c1I 2281663866 RAFAJBORNAZSPY-UHFFFAOYSA-N 458.084 4.140 50 10 JIGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)NCCCOC(C)C)c(Oc3ccc(Cl)cc3)nc12 2296719423 ORFKNUNMLHGTPO-UHFFFAOYSA-N 480.952 4.287 50 10 JIGE F[C@@H]1CN(Cc2ccc(I)c(Br)c2)C[C@H]1CBr 2306216864 KMWNJFRICNRLAF-MWLCHTKSSA-N 476.953 4.219 50 10 JIGE BrC[C@@]12C[C@@H]1CN(Cc1ccc(I)c(Br)c1)C2 2306227842 MZHBSSHNJNERQI-ZWNOBZJWSA-N 470.974 4.271 50 10 JIGE N#CC(=Cc1ccccc1OCC(=O)Nc1nccs1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 2314490401 YEKXTHAZWLMTEL-UHFFFAOYSA-N 483.893 4.268 50 10 JIGE CCOC(=O)c1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(F)cc3)nc3ccccn3c2=O)cc1 2314531549 CCVUBCPBUIGZPC-UHFFFAOYSA-N 498.470 4.348 50 10 JIGE O=C(COc1ccc(C(=O)NCc2ccccc2)cc1)NN=Cc1c[nH]c2cc(Cl)ccc12 2321698170 WZHLNINAYZFKPP-UHFFFAOYSA-N 460.921 4.280 50 10 JIGE COc1ccc([C@H](C)NC(=O)C(C#N)=CNc2ccc(I)cc2C)cc1 2325055490 GNONXUSQWBALME-AWEZNQCLSA-N 461.303 4.305 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1C[C@H](C2CC2)[C@@H](Br)C1 2340061880 SJPNXLMJYAFFGU-NEPJUHHUSA-N 454.533 4.190 50 10 JIGE C[C@H](Cl)CCc1cn(Cc2ccc(I)c(Br)c2)nn1 2349850082 FDCRDQGOQKIJKS-VIFPVBQESA-N 454.537 4.253 50 10 JIGE Cc1ccc(O[C@@H](C)C(=O)NNC(=O)COc2ccc(Br)cc2C(C)C)cc1C 9231660 ZEPIYKKCHLBIPU-INIZCTEOSA-N 463.372 4.183 50 10 JIGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)COc2ccc3ccccc3c2)cc1 12578913 ZYSZCEZRLVZIOY-UHFFFAOYSA-N 453.498 4.241 50 10 JIGE C[C@H](Cl)C(=O)N1CCCN(c2nc(Cc3ccccc3)nc3c2cnn3-c2ccccc2)CC1 35925521 UTUVJKURFCBTLI-IBGZPJMESA-N 474.996 4.072 50 10 JIGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)cc1 38700436 RDYHIQXYUJEIQB-DQEYMECFSA-N 454.482 4.213 50 10 JIGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccccc3F)nc3ccccn3c2=O)cc1 39858718 BCGIMVSSDQSDIK-SDXDJHTJSA-N 498.470 4.348 50 10 JIGE CCc1ccccc1Nc1ncnc(NNC(=O)c2ccc(Br)cc2)c1[N+](=O)[O-] 40587109 YBCBANYDLHFZRR-UHFFFAOYSA-N 457.288 4.210 50 10 JIGE O=C(N/N=C1/C(=O)N(Cc2cccc([N+](=O)[O-])c2)c2ccccc21)c1cccc2ccccc12 59167124 MSEFLVGXSGIGJC-SOYKGTTHSA-N 450.454 4.429 50 10 JIGE COc1cc(/C=N/NC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc(Br)c1O 100437492 RRHNWRSVHYNAPL-ZMOGYAJESA-N 474.355 4.446 50 10 JIGE COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c1C 105285104 FSEVBEBEGLEDMP-PKIWBCANSA-N 489.542 4.372 50 10 JIGE CN1/C(=C(\C#N)C(=O)COC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)Sc2ccccc21 105851834 JJFJYRMPAQMSKA-QOMWVZHYSA-N 494.532 4.089 50 10 JIGE O=C(CCCCCCCCC(=O)NN=Cc1ccccc1[N+](=O)[O-])NN=Cc1ccccc1[N+](=O)[O-] 245266230 JIDPAAHPMDKHQH-UHFFFAOYSA-N 496.524 4.224 50 10 JIGE O=[N+]([O-])c1sc(CBr)cc1N1CC[C@@]2(CN(Cc3ccccc3)CCO2)C1 717594496 QTCACGZHZQHYJC-LJQANCHMSA-N 452.374 4.033 50 10 JIGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 746180295 DSTVSMDDSBBQDP-UHFFFAOYSA-N 498.479 4.348 50 10 JIGE O=C(NN=Cc1ccc[nH]1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 1084083835 QNEFUFSKKAFPDD-UHFFFAOYSA-N 455.174 4.204 50 10 JIGE Cc1ccc(N(CC(=O)NN=Cc2ccccc2Br)S(=O)(=O)c2ccccc2)cc1 1084356825 OLEARMISRSEMAF-UHFFFAOYSA-N 486.391 4.103 50 10 JIGE C=CCOc1cc(Br)c(C=NNC(=O)CC[C@H](O)c2ccccc2)cc1OCC 1084652407 IDCCDQAVDWZGBG-IBGZPJMESA-N 461.356 4.377 50 10 JIGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2nc3c(s2)C[C@@H](C(C)(C)C)CC3)cc1 1204145436 WAJQKHWLUFXVDM-ZBFHGGJFSA-N 458.584 4.117 50 10 JIGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2ccc(O)c([N+](=O)[O-])c2)C1 1614615546 OBXZPAMJTIBKNC-HZPDHXFCSA-N 482.274 4.088 50 10 JIGE Cc1ccc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)Nc3ccc(SC#N)cc3)cc2)cc1C 1858665709 IOPMGXWTDKKDEQ-UHFFFAOYSA-N 494.598 4.317 50 10 JIGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3C)cc(Br)c1OC(C)C 1865697835 CMPLFOQWFLTNPN-ZDUSSCGKSA-N 487.276 4.215 50 10 JIGE Cc1ccc(SCCCC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 1865852197 OVLCSNSYTNDNKR-IRXDYDNUSA-N 498.674 4.172 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1C[C@H]2[C@@H](Br)CC[C@H]2C1 2087938757 ZJPULLNTTIFURM-AXFHLTTASA-N 454.533 4.190 50 10 JIGE CC1(C)CN(S(=O)(=O)c2cc(Br)ccc2Br)[C@@H]1CBr 2092534944 HBTPBPXVMCOYMS-LLVKDONJSA-N 476.028 4.006 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1[C@H]2CC[C@@H](C2)[C@H]1CBr 2122173059 RHPPKBXDNDRDLY-GMOODISLSA-N 454.533 4.333 50 10 JIGE O=S(=O)(NC[C@H]1CCCC2(CCC2)[C@H]1Br)[C@H]1C[C@H](OCc2ccccc2)C1 2161299054 WJEBUBHAIDNYAJ-WTGUMLROSA-N 456.446 4.388 50 10 JIGE Cc1cc(S(=O)(=O)N2C[C@H](C)CN(Cc3ccccc3)C[C@H]2C)sc1CBr 2179823568 LDURMOBUYDFLEM-NVXWUHKLSA-N 471.486 4.483 50 10 JIGE Cc1c(Br)csc1C(=O)NCCSSCCNC(=O)OC(C)(C)C 2213770254 WDNYPIPBRWEGCW-UHFFFAOYSA-N 455.465 4.455 50 10 JIGE CCOc1cc(C=C(C#N)C(=O)N(C)C)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 2313568266 QUXWHIBRXFFIES-UHFFFAOYSA-N 474.311 4.330 50 10 JIGE COc1ccccc1Oc1nc2ccccn2c(=O)c1C=C(C#N)C(=O)Nc1cccc(C)c1 2314533443 QTBPAQXWJHCTEH-UHFFFAOYSA-N 452.470 4.350 50 10 JIGE CC(C)(C)OC(=O)N[C@@H]1C=C[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC1 2333266965 USZVWICSDKWLKB-FGZHOGPDSA-N 467.682 4.411 50 10 JIGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC1(CBr)CCCCCC1 2364194648 IMBDMYHBTAXNMJ-UHFFFAOYSA-N 499.471 4.250 50 10 JIGE CCCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(Cl)c(C)c1 14032955 FYDMATYWGVEBCZ-UHFFFAOYSA-N 478.014 4.322 50 10 JIGE Cc1cc(OCC(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Br)cc(C)c1Cl 14644148 CLIPYFMTRGBVIQ-LBPRGKRZSA-N 490.181 4.366 50 10 JIGE CN(C)c1ccc(C=NNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1Br 27497254 OYQFYRYZKSHNGD-UHFFFAOYSA-N 477.362 4.134 50 10 JIGE CC(/C=C/c1ccccc1)=N\NC(=O)c1nn(Cc2cccc(Br)c2)cc1[N+](=O)[O-] 33303918 DSQRTODGIPIBLI-FHVDOEOVSA-N 468.311 4.421 50 10 JIGE CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccccc3OC)ccc21 38650459 OCJHUSIQXISLLA-AREMUKBSSA-N 472.497 4.296 50 10 JIGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4)ccc32)cc1OC 38658488 PCRMMIYTGFTYSF-AREMUKBSSA-N 472.497 4.215 50 10 JIGE COc1ccc2cc3c(nc2c1)N(c1ccc(C(=O)NNC(=O)c2ccc(F)cc2)cc1)CC3 39881712 HFBOIADROLOSJD-UHFFFAOYSA-N 456.477 4.152 50 10 JIGE CCN(c1ncnc(NNC(=O)c2ccccc2OC)c1[N+](=O)[O-])c1cccc2ccccc12 40589280 LROBZRSHNQQPOB-UHFFFAOYSA-N 458.478 4.462 50 10 JIGE Cc1c(C(=O)Nc2ccc(F)cc2F)oc2c1/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 40814639 BDYIBQAWXWYWBT-TURZUDJPSA-N 482.443 4.426 50 10 JIGE CC(C)(C)SCC(=O)N/N=C1\C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21 59147533 UWGVHERBVMSCCB-PLRJNAJWSA-N 478.387 4.487 50 10 JIGE Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)c3cc4ccccc4cc3O)cc2)cc1 59166043 DZGHIIVQJKKZFN-WGOQTCKBSA-N 460.511 4.385 50 10 JIGE Cc1cc(/C=C(/C#N)C(=O)OCC(=O)Nc2ccc(CN3CCOCC3)cc2)c(C)n1CCC(C)C 98003883 CQLSCDYJVGRVDE-XYGWBWBKSA-N 492.620 4.072 50 10 JIGE CCS(=O)(=O)CCC(CBr)(CBr)c1ccc(Br)cc1 118671832 VGMACNRGGGVHPU-UHFFFAOYSA-N 477.056 4.302 50 10 JIGE CS(=O)(=O)CCCC(CBr)(CBr)c1ccccc1Br 118878905 KABAMKVJKMTHEL-UHFFFAOYSA-N 477.056 4.302 50 10 JIGE O=C(c1cc(Cl)ccc1I)N(CCBr)CC(F)(F)F 236124512 KWWPDZIXWIORMQ-UHFFFAOYSA-N 470.454 4.344 50 10 JIGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3cccc(C)c3)n2-c2ccccc2)cc1 254589278 LPNAREGXLIUWLE-UHFFFAOYSA-N 457.559 4.494 50 10 JIGE Cc1cc(-c2cc(C(=O)NNC(=O)CCOc3ccccc3)c3c(C)noc3n2)c(C)s1 729349582 JSLBNXFVDIUUOS-UHFFFAOYSA-N 450.520 4.107 50 10 JIGE CN(C[C@@H]1COc2ccccc2O1)C(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1 818031987 BXQVETLUXCABIY-OOIVEFLKSA-N 487.947 4.323 50 10 JIGE CC(C)(C)c1ccc(OCC(=O)NN=C2C(=O)N(Cc3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1 1083849897 PSYCMTZWQSEMKL-UHFFFAOYSA-N 486.528 4.338 50 10 JIGE C#C[C@@H](NC(=O)NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1)c1ccc(F)cc1 1683498668 VETNEUFGJWYTEF-JOCHJYFZSA-N 451.885 4.377 50 10 JIGE Cc1c(C(=O)NC2CCCC2)oc2c1C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772743663 IEBMPWLKJTZBPG-UHFFFAOYSA-N 458.356 4.493 50 10 JIGE O=C(CCCN1C(=O)c2ccccc2C1=O)NNC(=O)c1ccc(-c2ccc3ccccc3c2)s1 1860391440 HCCGTQUFIIZUTE-UHFFFAOYSA-N 483.549 4.406 50 10 JIGE COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1/C=N/NC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 1873498519 SISLQNKQFVYIJV-UVHMKAGCSA-N 474.517 4.096 50 10 JIGE O=C(N[C@H](CBr)C[C@@H]1CCCO1)c1ccc(I)c(Cl)c1 1926733317 WKVOAOAKZQYKPY-QWRGUYRKSA-N 472.548 4.007 50 10 JIGE O=C(NC[C@@H]1CCC[C@@H]1Br)c1ccc(Br)cc1I 2086146623 CCETWCYOLIIOSI-KWQFWETISA-N 486.973 4.347 50 10 JIGE O=C(N[C@@H]1C[C@H](CBr)[C@H]2C[C@@H]21)c1c(Br)cccc1Br 2110549351 MXKWNWDPKXVDPF-KZFFXBSXSA-N 451.984 4.361 50 10 JIGE O=C(NC[C@]1(F)C[C@H](CBr)C1)c1cc(Br)ccc1Br 2112238810 IJBRPWLFGSPWET-XCSCGOTBSA-N 457.963 4.455 50 10 JIGE CC1(C)CC[C@@H](Br)[C@@H](CNC(=O)c2cc(I)sn2)C1 2120031741 KFOMPBLWZSRBAL-RKDXNWHRSA-N 457.175 4.067 50 10 JIGE C[C@H]1Cc2cc([C@H](Cl)c3cnn(C)c3I)cc(Br)c2O1 2146621713 PZTDSVPKVFXZQS-MADCSZMMSA-N 467.532 4.439 50 10 JIGE Cc1oc(C)c(S(=O)(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)c1CBr 2179788356 BFGAVHSKGQJNMA-OAHLLOKOSA-N 455.418 4.076 50 10 JIGE Cc1oc(C)c(S(=O)(=O)N2C[C@H](C)N(Cc3ccccc3)C[C@@H]2C)c1CBr 2179789923 XLQMCDKVYXSTTP-GJZGRUSLSA-N 455.418 4.075 50 10 JIGE O=C(c1cc(Br)ccc1I)N1[C@H]2CC[C@H]1[C@H](F)[C@@H](Cl)C2 2190669985 HNMZCTDKZOGYCQ-SKZLGDCLSA-N 472.523 4.376 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2C[C@@H](Br)C[C@@H](F)C2)cc1Br 2234680378 YPSYEBBXFLDAAI-DTWKUNHWSA-N 494.018 4.016 50 10 JIGE Cn1ncc(-n2c(CCl)nc3c(F)cc(Br)cc32)c1I 2280056412 JTWSTQOHVKVPNJ-UHFFFAOYSA-N 469.483 4.004 50 10 JIGE O=C(NC[C@H]1CC[C@H](CBr)CC1)c1c(F)cccc1I 2282809236 NFWPJLNCACLCFM-XYPYZODXSA-N 454.121 4.361 50 10 JIGE COc1ccc(-c2nn(Cc3ccccc3F)cc2C=C(C#N)C(=O)NCc2ccccn2)cc1OC 2295631724 FRSJFWPBJMPJRE-UHFFFAOYSA-N 497.530 4.373 50 10 JIGE COc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)S(=O)(=O)c2ccc(C)cc2)cc1 2296720344 UEOSYJHZCOLILT-UHFFFAOYSA-N 487.537 4.451 50 10 JIGE COc1cc(C=C(C#N)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCc1cccc(F)c1 2297616597 ICLZWOLXHPKYFV-UHFFFAOYSA-N 460.461 4.365 50 10 JIGE O=C(N[C@H]1C[C@@H](CBr)[C@H]2C[C@@H]12)c1cc(Br)c(Br)s1 2309229895 BOHHFUZBMIEUGW-SZACMFPPSA-N 458.013 4.422 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@@H]2C[C@@H](Br)[C@H]1C2 2312103412 LBRCWGXIRAPYRQ-NYRNMGCKSA-N 484.957 4.052 50 10 JIGE COc1cc(C=C(C#N)C(=O)N[C@@H](C)c2ccccc2)ccc1OCC(=O)Nc1ccccc1 2314490214 WBRNBZWQJFAVKT-IBGZPJMESA-N 455.514 4.497 50 10 JIGE COc1ccc(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N(C(C)(C)C)C3)n2)c(OC)c1OC 2331412571 KKDJOPRFSIEWGM-ZDUSSCGKSA-N 457.552 4.276 50 10 JIGE Cn1nc(Br)c(Br)c1C(=O)Nc1ccc(CBr)cc1 2338859854 IPTXABKLGXIOMA-UHFFFAOYSA-N 451.944 4.092 50 10 JIGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1cc(Br)ccc1[N+](=O)[O-] 2343645165 MYXBJJPVSIMXQV-HNNXBMFYSA-N 486.160 4.458 50 10 JIGE COc1cc(OC)c([C@H](Br)c2c(Br)ncn2C)cc1Br 2362436144 NJCDZPFVVGQMQU-NSHDSACASA-N 468.971 4.447 50 10 JIGE COC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1ccc(OC)c(OC(=O)c2ccc(OC)cc2)c1 3231362 SVPVBWBTQSFTQL-RGEXLXHISA-N 486.480 4.255 50 10 JIGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)COc2ccc(C)cc2C)c(Br)c1 14832195 WVKIJFRRANJUBA-HNNXBMFYSA-N 463.372 4.185 50 10 JIGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(C)cccc4C)ccc32)cc1 38683463 KXOODHUBXNUNAH-VWLOTQADSA-N 484.508 4.293 50 10 JIGE COc1ccccc1NC(=O)/C(C#N)=C\c1c(Oc2ccccc2OC)nc2c(C)cccn2c1=O 39858834 JWMFYYLVAHLMCI-SDXDJHTJSA-N 482.496 4.358 50 10 JIGE Cc1c(C(=O)NNC(=O)c2ccccc2Cl)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1)CCC2 101594767 SWYLFSPUWAAJGV-OVVQPSECSA-N 499.354 4.440 50 10 JIGE CC(C)(CCBr)CNS(=O)(=O)c1cc(Br)ccc1Br 227935017 BYQITSQKMKMDFV-UHFFFAOYSA-N 478.044 4.301 50 10 JIGE COc1cc(C=NNC(=O)c2cc(Br)ccc2OC)ccc1OC(=O)c1ccccc1 252629176 UAJQKJJIYRGZAB-UHFFFAOYSA-N 483.318 4.449 50 10 JIGE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2ccccc2O)cc1 252633651 WFERTIJBSMUAMC-SSTJCOHKSA-N 456.546 4.160 50 10 JIGE CCn1c(C)nc2cc(C(=O)NN=Cc3c(C)nn4c3nc(N3CCCC3)c3ccccc34)ccc21 254513738 IGXFIUHYKGOKBZ-UHFFFAOYSA-N 480.576 4.233 50 10 JIGE O=C(NN=Cc1ccc(N2CCOCC2)s1)c1ccc(COc2cccc3cccnc23)cc1 254838850 USUMDFDUJZPDBE-UHFFFAOYSA-N 472.570 4.476 50 10 JIGE O=S(=O)(c1cc(CCl)oc1Br)N1CC[C@H]2CC[C@@H](C1)N2Cc1ccccc1 399723258 MSOKFOJCIFYAJV-CVEARBPZSA-N 473.820 4.209 50 10 JIGE C[C@H](OC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1)C(=O)NCc1ccccc1Cl 729344115 BDKWJPRHNFGFNG-SBGXLDQMSA-N 487.947 4.272 50 10 JIGE N#CCCn1cc(/C=C(/C#N)C(=O)OCc2nc(-c3ccsc3)no2)c(-c2ccccc2)n1 729344219 CQUYHLLZJVHPEH-WQRHYEAKSA-N 456.487 4.226 50 10 JIGE C=CCn1c(CCc2ccccc2)nnc1SCC(=O)NN=Cc1ccc(N(CC)CC)cc1O 1084030609 NSDXCWBSNKPILT-UHFFFAOYSA-N 492.649 4.044 50 10 JIGE COc1ccc(CNC(=O)C(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1 1084597849 MYSSZIOEPPCAEU-UHFFFAOYSA-N 473.360 4.176 50 10 JIGE Cc1ccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4ccc5c(c4)OCCO5)c(C)c32)cc1 1772745072 RLXRCBUJDDHWSA-UHFFFAOYSA-N 459.502 4.390 50 10 JIGE Cc1c(C(=O)NCCC(C)C)oc2c1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772749536 OGPFFEYNMJULSN-UHFFFAOYSA-N 473.389 4.353 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(F)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1 1865706237 QYWXQZNRVUZXCU-MRXNPFEDSA-N 459.359 4.216 50 10 JIGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@H](c2ccc(OC)cc2)C(C#N)=C(N)O3)cc1 1865712868 JYVGYHVPDLGJAN-JOCHJYFZSA-N 451.486 4.170 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 1885646819 UCKYAOUYDURHCC-LJQANCHMSA-N 469.673 4.283 50 10 JIGE CN(C[C@H]1C[C@H](Br)C1)[C@@H](CN)c1ccc(Br)c(Br)c1 1887901893 SWBXOEIZJJBPIV-CHIMOYNISA-N 455.032 4.317 50 10 JIGE O=C(c1cc(Br)ccc1Br)N1CCC(I)CC1 2021439599 RCGBPBIFLYXGJZ-UHFFFAOYSA-N 472.946 4.251 50 10 JIGE BrCc1cc(Br)ccc1N1C[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2036445429 LHXSVSCTNMNTLE-UXHICEINSA-N 466.217 4.434 50 10 JIGE CC(C)(C)OC(=O)NC[C@@H]1CC[S@@](=O)(=NC[C@H](Br)C(F)(F)F)C1(C)C 2044706755 WTWYHJJUZSIOPG-YBCXYELXSA-N 451.349 4.103 50 10 JIGE O=C(c1cc(Br)cc(Br)c1)N1C[C@@H](Br)[C@@H](C2CC2)C1 2090684709 KREOWQRVEKYGJM-CHWSQXEVSA-N 451.984 4.457 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1CC[C@@H](Br)C2(CC2)C1 2093179839 BSULKQLKJLXIAW-GFCCVEGCSA-N 454.533 4.334 50 10 JIGE CN(Cc1ccccc1)[C@H]1CCCCN(S(=O)(=O)c2cc(CBr)cs2)C1 2123234751 RUMQFPXEZMCCBR-SFHVURJKSA-N 457.459 4.318 50 10 JIGE CN(Cc1ccccc1)[C@H]1CCCCN(S(=O)(=O)c2ccsc2CBr)C1 2123282749 CYTXKKHPSGMALL-KRWDZBQOSA-N 457.459 4.318 50 10 JIGE CCCN1CC[C@@H]([C@H](Br)c2c(Br)cccc2Br)S1(=O)=O 2150502677 CYFAETUXUSUNEW-AAEUAGOBSA-N 490.055 4.462 50 10 JIGE Cn1cc(CCC(CBr)(CBr)c2ccccc2Br)nn1 2164345205 WRVXHYDMLNKMKB-UHFFFAOYSA-N 466.015 4.238 50 10 JIGE CN(Cc1ccccc1)[C@H]1CCCN(S(=O)(=O)c2ccc(CCl)c(Br)c2)C1 2169154026 QRVZCBRFIWRYCY-SFHVURJKSA-N 471.848 4.473 50 10 JIGE O=C(c1cc(I)ccc1F)N1CCC([C@@H](F)CBr)CC1 2169661777 HMLGMBYVXCLESC-ZDUSSCGKSA-N 458.084 4.016 50 10 JIGE CN(C[C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(CBr)cc1Cl 2179795833 WVHFNNTXVDKAME-SFHVURJKSA-N 471.848 4.378 50 10 JIGE Cc1cc(S(=O)(=O)N2C[C@@H]3CN(Cc4ccccc4)C[C@@]3(C)C2)sc1CBr 2179822872 BMPIACZZEMYHGI-PXNSSMCTSA-N 469.470 4.094 50 10 JIGE Cc1cc(S(=O)(=O)N2CCN(Cc3ccccc3)C3(CCC3)C2)sc1CBr 2179823407 JFFVCGPJBQIZFV-UHFFFAOYSA-N 469.470 4.381 50 10 JIGE CC1(C)OCCO[C@@H]1CO[C@@H](CI)c1cccc(Br)c1 2186964907 SWLRZYAMOBEOCN-UONOGXRCSA-N 455.130 4.136 50 10 JIGE O=C(N[C@@H]1COC2(CCC2)[C@@H]1Br)c1cc(Br)cc(Br)c1 2206488043 XXBXURPGGJCEGF-VXGBXAGGSA-N 467.983 4.026 50 10 JIGE Cc1ccc(I)c(C(=O)N[C@@](C)(CBr)C(F)(F)F)c1 2232163393 DKEAXRZHOXWBFX-NSHDSACASA-N 450.036 4.045 50 10 JIGE O=C(c1cc(Br)c(Br)s1)N1C[C@@H]2OCCC[C@@]2(CBr)C1 2238793504 DUGNYWNEJMCGDZ-GXFFZTMASA-N 488.039 4.289 50 10 JIGE CN(Cc1cccc(I)c1)S(=O)(=O)c1csc(CBr)c1 2280345117 UVYLSRZARWCOMA-UHFFFAOYSA-N 486.194 4.068 50 10 JIGE O=C(c1c(F)cccc1I)N1CC[C@H]2CC[C@H](Br)[C@H]1C2 2282791006 BDBNPEVEYGEHPO-GBIKHYSHSA-N 452.105 4.208 50 10 JIGE N#CC(=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)C(=O)N1CCN(c2ccccc2)CC1 2313545993 USJMGLWICNNOFE-UHFFFAOYSA-N 468.513 4.430 50 10 JIGE O=C(C=Cc1cccc2ccccc12)NC(=S)NNC(=O)COc1ccc(Cl)cc1Cl 2313616874 GNLGLVGZLVYMIG-UHFFFAOYSA-N 474.369 4.261 50 10 JIGE COc1ccc(CNC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)cc1 2314522713 UOBNDWYKWGKAMX-UHFFFAOYSA-N 478.508 4.500 50 10 JIGE CCOc1ccc(C=NNC(=O)c2nn(-c3ccccc3)c3c2CCC3)cc1Br 2323759583 PVHYLVZYFYDSQW-UHFFFAOYSA-N 453.340 4.286 50 10 JIGE O=C(C=Cc1ccc(Cl)cc1Cl)NNC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O 2325890495 MHXLDTDOKKDQHA-UHFFFAOYSA-N 499.379 4.293 50 10 JIGE O=C(C=Cc1ccc([N+](=O)[O-])s1)NN=C1C(=O)N(Cc2ccccc2Cl)c2ccccc21 2326843780 IQWMDMLGWIIFHP-UHFFFAOYSA-N 466.906 4.390 50 10 JIGE COc1cccc(C=NNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)c1OCc1ccccc1 2328828084 LBLVEYFPDBFNQQ-FQEVSTJZSA-N 453.539 4.124 50 10 JIGE COCCn1nc(Br)nc1C[C@@H](Br)c1ccccc1Br 2382063116 BZKLWYJETQSURN-LLVKDONJSA-N 467.987 4.128 50 10 JIGE COc1ccc(C(=O)N/N=C/c2c(OC)ccc3ccccc23)cc1I 12573679 YVPYNTXAKLNNOK-WSDLNYQXSA-N 460.271 4.226 50 10 JIGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)COc2ccccc2Cl)c(Br)c1 14832305 MGMVOWZFQRFZSQ-ZDUSSCGKSA-N 469.763 4.221 50 10 JIGE COc1ccc(C(=O)Oc2ccc(/C=N\NC(=O)c3cc(Br)ccc3O)cc2)cc1OC 34988428 HSJCHJFRBATAGE-MXAYSNPKSA-N 499.317 4.155 50 10 JIGE CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc([N+](=O)[O-])cc3)ccc21 38650476 IDQDFCFZBBKPCP-QHCPKHFHSA-N 457.442 4.431 50 10 JIGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)c1OC 38688629 PJSGURKIKXBTQW-DEOSSOPVSA-N 496.475 4.248 50 10 JIGE COc1ccc(/C=C2\N=C(SCC(=O)/C(C#N)=C(/C)N)N(c3ccc(OC(F)F)cc3)C2=O)cc1 103129450 VSGCBXMZVSQICX-QXMUOUPZSA-N 498.511 4.099 50 10 JIGE N#C/C(=C\c1csc(-c2ccco2)n1)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 210588719 PZCKEMRODMSPSJ-FOWTUZBSSA-N 468.560 4.123 50 10 JIGE C[C@H]1CCC[C@@](CBr)(NC(=O)c2ccc(I)c(O)c2)C1 235625706 IOKRPAAFCIKWOA-ZUZCIYMTSA-N 452.130 4.070 50 10 JIGE CCOc1ccc(C(C)=NNC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)cc1 252619467 LQDLDCRITSNCCY-UHFFFAOYSA-N 479.602 4.438 50 10 JIGE N#Cc1ccccc1COc1ccc2ccccc2c1C=NNC(=O)c1ccc([N+](=O)[O-])cn1 254825047 XLVASIYYDXAETR-UHFFFAOYSA-N 451.442 4.358 50 10 JIGE ClCc1nc2cc(I)ccc2n1C[C@@H]1CN(Cc2ccccc2)CCO1 311698195 QZNOLWZQDFWGEO-KRWDZBQOSA-N 481.765 4.281 50 10 JIGE COc1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)c(O)c1 382699305 WPDZPALVLITKMC-QAPCUYQASA-N 467.303 4.188 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2C[C@@H](Br)CC[C@@H]2C)cc1Br 399383295 XVYNAKBRSGRYQE-UWVGGRQHSA-N 490.055 4.457 50 10 JIGE C[C@@H](CBr)CN(C)C(=O)c1cc(I)ccc1Br 689001659 GMQNXKHSAXVXGN-QMMMGPOBSA-N 474.962 4.157 50 10 JIGE O=C(CCc1ccccc1)NN=C1C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 1084202034 WXVQENLEYCYDMV-UHFFFAOYSA-N 476.374 4.492 50 10 JIGE C=CCn1cc(CNC(=O)/C(C#N)=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)nn1 1129930707 QFIFDLSAYVCBBK-RQZCQDPDSA-N 455.349 4.402 50 10 JIGE CCOc1cc([C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CI)ccc1OC 1614688108 JAUXFQNJNBTLSR-CABCVRRESA-N 461.340 4.479 50 10 JIGE COc1ccccc1N1CCN(C(=O)[C@H](Br)Cc2ccccc2Br)CC1 1858181050 FKPUPMJRGDTTPL-QGZVFWFLSA-N 482.216 4.113 50 10 JIGE CC(=O)Nc1ccccc1N1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(C)n2)CC1 1868480719 RCJQVXXZOVRJPI-UHFFFAOYSA-N 459.579 4.387 50 10 JIGE O=C(O)C=Cc1cc(Br)cc(Br)c1OC[C@@H]1C[C@H]1Br 1887908245 OWCJTQIGXZTXEF-WCBMZHEXSA-N 454.940 4.472 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OC[C@H]2CCCCCO2)C1 1947244929 HDKZDWKTHJJARZ-QAPCUYQASA-N 453.361 4.167 50 10 JIGE O=C(NC[C@@H](Br)CBr)c1ccc(Br)cc1Br 1981564385 GFQLEWKMYKIQTL-ZETCQYMHSA-N 478.804 4.100 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1985351055 ZMYHIGQAICVOFC-BRWVUGGUSA-N 461.694 4.128 50 10 JIGE CN(Cc1ccccc1)[C@H]1CCN(S(=O)(=O)c2cc(CCl)ccc2Br)C1 2095822864 CTEOLBBZOCJTGS-KRWDZBQOSA-N 457.821 4.083 50 10 JIGE CC1(C)C[C@H](NS(=O)(=O)c2ccc(CBr)cc2)CN(Cc2ccccc2)C1 2146372036 VSSJUBLDXIIJJB-IBGZPJMESA-N 451.430 4.161 50 10 JIGE CO[C@H]1C[C@H](O[C@H](CI)c2ccccc2Br)C[C@H]1OC 2166422154 WIDIFIJYXBXFHK-QPKOPYBWSA-N 455.130 4.134 50 10 JIGE C[C@H]1CN(S(=O)(=O)Cc2cccc(CBr)c2)[C@@H](C)CN1Cc1ccccc1 2179788389 BSSFXQQXQINWOP-ROUUACIJSA-N 451.430 4.006 50 10 JIGE CCN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)Cc1ccc(CBr)cc1 2179790967 KYOVTLFUKWZUNV-OAQYLSRUSA-N 451.430 4.008 50 10 JIGE O=S1(=O)C[C@@H]2[C@H]([C@@H](Br)c3c(Br)cc(F)c(Cl)c3F)[C@@H]2C1 2201620516 BUIZVOBYRQVPGO-LRXXKQTNSA-N 450.526 4.107 50 10 JIGE O=C(c1csc(I)c1)N1CC[C@@H]2[C@@H](Br)CCC[C@H]2C1 2225379013 FFGZLLNJHFJBLD-DLOVCJGASA-N 454.171 4.378 50 10 JIGE COc1ccc(-n2ccnc2CCCN2C(=O)c3ccccc3C2=O)c(CBr)c1 2227687026 ZISJVFWCQVTRHT-UHFFFAOYSA-N 454.324 4.005 50 10 JIGE CCC[C@H]1CN(C(=O)c2c(F)cccc2I)C[C@@H]1CBr 2282805402 DVZCRMGAUMKTIF-QWRGUYRKSA-N 454.121 4.314 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N1CC[C@H]2[C@H](C1)[C@@H]2CBr 2295308752 AJCIPNISIOEMMW-MCIONIFRSA-N 466.011 4.244 50 10 JIGE O=C(Cc1cccc(Br)c1)N[C@H](CCBr)COCc1ccccc1 2303548942 MSEIJRWUIPIFJP-GOSISDBHSA-N 455.190 4.478 50 10 JIGE COC1CC2(C1)CC(OC1(CI)CCN(C(=O)OC(C)(C)C)CC1)C2 2314661744 KBWFPAIDPDBPKE-UHFFFAOYSA-N 465.372 4.165 50 10 JIGE ClC[C@]1(CNCc2ccc(I)c(Br)c2)CCCOC1 2349830183 QAPJVFIUKNHYHH-AWEZNQCLSA-N 458.565 4.179 50 10 JIGE ClCCN(Cc1ccc(I)c(Br)c1)C1CCOCC1 2353636352 MGOUNUKSKCLYQL-UHFFFAOYSA-N 458.565 4.274 50 10 JIGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NCC[C@H]1CCCC[C@H]1Br 2364191064 SOAMIQUQLLLTAI-YLJYHZDGSA-N 499.471 4.106 50 10 JIGE COc1cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(F)cc2)cc(OC)c1OC 38652672 BZJNRVQTLVLBNF-QHCPKHFHSA-N 476.460 4.289 50 10 JIGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OC)c2OC)cc1 38658710 XBQZSCXMPBYOKP-HSZRJFAPSA-N 458.470 4.150 50 10 JIGE Nc1c(NNC(=O)c2ccc(Br)cc2)ncnc1N1CCC(Cc2ccccc2)CC1 40729381 GJGFJKAEMFPIPE-UHFFFAOYSA-N 481.398 4.037 50 10 JIGE CCOc1ccc(C(=O)NCC(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2cccc(C)c2)cc1 48572008 KJFAVKDCZNQSQV-OCSSWDANSA-N 481.556 4.127 50 10 JIGE O=C(COc1ccc([N+](=O)[O-])cc1)N/N=C1\C(=O)N(Cc2cccc3ccccc23)c2ccccc21 59166494 CGCRWTZEXPRODF-WCTVFOPTSA-N 480.480 4.194 50 10 JIGE O=C(NN=Cc1c(O)ccc2ccccc12)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254381037 RYUMENPZWADIHQ-MEQXYMFYSA-N 479.492 4.195 50 10 JIGE CC(=NNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1C)c1ccc(O)cc1 254745006 GXMRSNVVYSAIRB-UHFFFAOYSA-N 458.543 4.032 50 10 JIGE CC(CC(=O)Nc1ccc(OCc2ccccc2)cc1)=NNC(=O)C(=O)Nc1cccc(C)c1 254750801 RPFCOZSJJVCIQD-UHFFFAOYSA-N 458.518 4.033 50 10 JIGE CC1(C)O[C@@H]2[C@H](O1)[C@H](n1ccc3c1NC(=N)N[C@@H]3Cl)O[C@@H]2CO[Si](C)(C)C(C)(C)C 616585157 HNXBSOSHEWZABA-JLHDYFKBSA-N 457.047 4.115 50 10 JIGE O=C(NC[C@H]1CCC[C@H]1CCl)c1ccc(I)c(Br)c1 721619688 LUKGGQLAEBGZMT-WDEREUQCSA-N 456.549 4.439 50 10 JIGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)cc1 1084007609 OMPGIKVSNSEBQW-XMMPIXPASA-N 463.534 4.155 50 10 JIGE O=S(=O)(Nc1cc(Br)cnc1Br)c1ccc(CBr)cc1 1260504034 KQNZBLQAWNBBAC-UHFFFAOYSA-N 484.995 4.302 50 10 JIGE CC(=O)N(Cc1ccc(NC(=O)NNC(=O)COc2cc(C)ccc2C(C)C)cc1)C(C)C 1562368021 KLLGTBIEULZHPY-UHFFFAOYSA-N 454.571 4.107 50 10 JIGE COc1ccc(/C(C#N)=C/c2cccc(OC(=O)CCN3C(=O)c4ccccc4C3=O)c2)cc1 1615066951 YGRWFEAIPFRWGN-HMMYKYKNSA-N 452.466 4.351 50 10 JIGE CCOc1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)COc1ccccc1)CCC2 1772749936 SFEVYIVDCFPSGA-UHFFFAOYSA-N 461.518 4.475 50 10 JIGE COC(=O)c1ccc(NC(=O)COc2cccnc2NC(=O)Nc2ccc(SC#N)cc2)cc1 1858838209 IZKYQDQSSWOILG-UHFFFAOYSA-N 477.502 4.103 50 10 JIGE CC[C@H](NC(=O)c1cc(-c2cc(F)ccc2F)n(C)n1)C(=O)Nc1ccc(SC#N)cc1 1867103224 LJSXZUHBWWSGNQ-SFHVURJKSA-N 455.490 4.086 50 10 JIGE COc1ccc(-c2csc(/C(C#N)=C(\O)CNS(=O)(=O)c3ccc(C)cc3)n2)cc1F 1872752464 DFSXCZYQPGIBEB-MNDPQUGUSA-N 459.524 4.037 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2CC[C@](F)(CBr)C2)cc1Br 1917123158 QYGBQMPFVRVSLG-LBPRGKRZSA-N 494.018 4.018 50 10 JIGE CCN(C[C@](C)(CI)OC1C(F)(F)C1(F)F)C(=O)OC(C)(C)C 1985877549 NTKBAPYNJAWLRG-LBPRGKRZSA-N 455.230 4.107 50 10 JIGE CC1(C)CN(c2ncc(I)cc2Br)[C@H]1CBr 1988536120 IMARMUFFFADLEJ-VIFPVBQESA-N 459.951 4.058 50 10 JIGE O=C(c1ccc(Br)cc1Br)N1C[C@H](Br)[C@H](C2CC2)C1 2090686026 SUVZACFPHXFUEY-AAEUAGOBSA-N 451.984 4.457 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1CC[C@@H](Br)C2(CC2)C1 2093181069 QUGJSRZCZRLSOL-GFCCVEGCSA-N 454.533 4.334 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CC[C@@H](Cl)[C@@H]1C1CC1 2130609064 XAQUFDTZAKSLOX-OLZOCXBDSA-N 454.533 4.286 50 10 JIGE Clc1cc(CN2CCO[C@@H]3C[C@H](Br)C[C@@H]32)ccc1I 2142943484 MMXLGXDRRFZPPB-DDTOSNHZSA-N 456.549 4.071 50 10 JIGE CCN1CCC[C@H]([C@@H](Cl)c2cc(Br)ccc2I)S1(=O)=O 2145767402 CXSOHIVPVPNFGO-OLZOCXBDSA-N 492.604 4.148 50 10 JIGE CC(C)(C)OC(=O)NC[C@]1(C(F)(F)F)CCCN1CC1(CBr)CCOCC1 2163061762 IGTUMEPMYVCNMR-KRWDZBQOSA-N 459.347 4.100 50 10 JIGE C[C@H]1CN(C(=O)c2cccc(F)c2I)CC[C@H]1CCBr 2172462510 FBTDXMSDDICUKA-WDEREUQCSA-N 454.121 4.314 50 10 JIGE CN([C@H](CCBr)C(F)F)S(=O)(=O)c1c(Cl)cccc1Br 2178519613 BQXGTBBBENCGST-SECBINFHSA-N 455.546 4.142 50 10 JIGE N#CC(C(=O)NCc1ccccc1)=C1NC(=NC(=O)c2cccc(Br)c2)c2ccccc21 2296842989 UYOGMRIVYCAPCH-UHFFFAOYSA-N 485.341 4.190 50 10 JIGE CC(CC(=O)Nc1cccc(C(F)(F)F)c1)=NNC(=O)c1ccc(I)cc1 2297710386 FGCFPACINHBVEU-UHFFFAOYSA-N 489.235 4.445 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N[C@H]1C[C@@H](CBr)[C@H]2C[C@@H]12 2360166448 NKVIBSJFVSTMHP-VKKKGTNTSA-N 466.011 4.290 50 10 JIGE COc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3cccc(C)c3)nc3ccccn3c2=O)cc1 3643997 CDILYKHETAWZOR-SDXDJHTJSA-N 452.470 4.350 50 10 JIGE CCOc1ccc(CC(=O)NNC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)cc1OCC 12491167 SFXYCXVJAWOKTI-UHFFFAOYSA-N 475.545 4.048 50 10 JIGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 13980362 QQRRKGDGXUGADW-AWEZNQCLSA-N 466.365 4.452 50 10 JIGE CC[C@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(Cl)cc2Cl)cc1 13983509 BAKNUVGRSGSJDI-LBPRGKRZSA-N 454.379 4.221 50 10 JIGE COc1cc(C(=O)Oc2cccc(C=NNC(=O)COc3ccc(Cl)cc3)c2)cc(OC)c1OC 19720287 KCGMBPIZGGHSGW-UHFFFAOYSA-N 498.919 4.114 50 10 JIGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2ccccc2OCc2ccc3c(c2)OCO3)cc1 58895507 YNJULJSDMLYLHG-GRIZMQLISA-N 476.529 4.357 50 10 JIGE N#Cc1ccccc1OCC(=O)N/N=C1\C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21 59165322 SZMUGYCCEOZIBC-FAJYDZGRSA-N 479.323 4.311 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)NC[C@@H]2CCC[C@H]2CCl)cc1Br 155823164 OXGUGLZPYCHAQQ-QWRGUYRKSA-N 459.631 4.453 50 10 JIGE Cc1ccc(-c2nnc(SCC(=O)NN=Cc3ccccc3[N+](=O)[O-])n2-c2ccccc2)cc1 254397383 ASWSSYTUVVJZRI-UHFFFAOYSA-N 472.530 4.393 50 10 JIGE CCOc1ccc(-n2c(SCC(=O)NN=Cc3ccccc3O)nnc2-c2ccccc2)cc1 254398036 JACKMGXXVQMTAY-UHFFFAOYSA-N 473.558 4.281 50 10 JIGE O=C(NN=Cc1ccc(OC(=O)c2ccco2)cc1)/C(=C\c1cccs1)NC(=O)c1ccccc1 254870901 KCIBAPUHPLQJGE-OQMVFWCBSA-N 485.521 4.482 50 10 JIGE C[C@H]1CN(C(=O)c2cc(Br)ccc2I)C[C@@H]1CBr 709091734 ZSMRMKORELHQEW-IUCAKERBSA-N 486.973 4.157 50 10 JIGE CC(=O)N(Cc1ccc(NC(=O)NNC(=O)c2ccc(OCCC(C)C)cc2)cc1)C1CC1 1215354451 SLJMDPQMFJFYDL-UHFFFAOYSA-N 452.555 4.089 50 10 JIGE CC(=O)c1cccc(S(=O)(=O)NCC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)c1 1466695335 WSDAMKBGVVDXRU-UHFFFAOYSA-N 458.430 4.464 50 10 JIGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2cc([N+](=O)[O-])ccc2O)C1 1614809656 NKZKHVGFLZITDJ-PBHICJAKSA-N 482.274 4.088 50 10 JIGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc3nc(C(C)(C)C)sc3c2)cc1 1659592644 NXFRTNZOIPWWKX-AWEZNQCLSA-N 454.552 4.417 50 10 JIGE Cc1c(C(=O)NNC(=O)c2ccco2)oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772747042 KJPMCBMSJYOJDI-UHFFFAOYSA-N 496.523 4.393 50 10 JIGE O=C1c2ccccc2C(=O)N1C[C@@H](Br)CCc1ccc(I)cc1 1884185832 YSROUYYRCHYPJW-ZDUSSCGKSA-N 484.131 4.284 50 10 JIGE O=C(NC[C@@H]1C[C@@H]1Br)c1c[nH]c2cc(Br)c(Br)cc12 1887783278 BZSMGULNCCLOLV-RCOVLWMOSA-N 450.956 4.206 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2CC[C@@H](Br)[C@H]2C)cc1Br 1914423748 NVPQEEDIIKPMSO-RKDXNWHRSA-N 476.028 4.066 50 10 JIGE C[C@@H]1C[C@@H](CBr)CN1c1ncc(I)cc1Br 1988538485 SMBPEQYASDDCDM-SFYZADRCSA-N 459.951 4.058 50 10 JIGE Brc1cc(I)cnc1N1C[C@@H]2C[C@H](C[C@@H]2Br)C1 2015764192 BOTDHZRHFXEJDP-WEDXCCLWSA-N 471.962 4.058 50 10 JIGE BrC[C@@]12CC[C@@H]1CN(c1ncc(I)cc1Br)C2 2021635885 SJEXWRXWXUKEAJ-PRHODGIISA-N 471.962 4.060 50 10 JIGE CCOC(=O)Cc1cc(Br)cc(CBr)c1I 2054990635 CDIKXAODEJBWRW-UHFFFAOYSA-N 461.919 4.054 50 10 JIGE CCOc1ccc(I)c(CBr)c1I 2060220004 LJFNECANOXNRJA-UHFFFAOYSA-N 466.882 4.189 50 10 JIGE CC(C)(C)OC(=O)Nc1ccc(Cl)c(NS(=O)(=O)N2CCC(Br)CC2)c1 2106300094 BJZNKAJPWVZQAQ-UHFFFAOYSA-N 468.801 4.203 50 10 JIGE CN(Cc1ccccc1)[C@@H]1CCN(S(=O)(=O)c2cc(CBr)ccc2Cl)C1 2123198559 FTUYNMRKDNVAAC-QGZVFWFLSA-N 457.821 4.130 50 10 JIGE O=C(c1cccc(F)c1I)N1C[C@@H]2CCC[C@H](Br)[C@H]2C1 2150974540 WHXOYANJVMYOMV-DLOVCJGASA-N 452.105 4.066 50 10 JIGE CC[C@@]1(CBr)COCCN1C(=O)c1cccc(Br)c1Br 2169030530 WTXUSLFEQPMPSY-CQSZACIVSA-N 469.999 4.228 50 10 JIGE Cc1nn(CCBr)c(C)c1S(=O)(=O)N(Cc1ccccc1)Cc1cccs1 2179862635 ZDVLSSKFOWEUAA-UHFFFAOYSA-N 468.442 4.347 50 10 JIGE Cn1ncc(-n2c(CCl)nc3ccc(F)c(Br)c32)c1I 2280056394 JJTKHOITXQKEDX-UHFFFAOYSA-N 469.483 4.004 50 10 JIGE COc1ccc([C@H](Br)[C@H]2C[C@H](OC)[C@H](OC)C2)cc1I 2285015133 YTCRPMXPOWSJJD-HPEDKQMDSA-N 455.130 4.176 50 10 JIGE CNC(=O)C(C#N)=C1S[C@H](Cc2cccc(Br)c2)C(=O)N1c1ccc(Cl)cc1 2293039111 DBYMAORMTLCVST-QGZVFWFLSA-N 476.783 4.275 50 10 JIGE N#CC(=Cc1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 2297551847 RTYXLRSGKHNCEY-UHFFFAOYSA-N 462.314 4.446 50 10 JIGE Cc1cc(OCC(=O)NNC(=S)NC(=O)C=Cc2cccc3ccccc23)ccc1Br 2313616906 SCCJVWDDMGLCAV-UHFFFAOYSA-N 498.402 4.025 50 10 JIGE COC(=O)C(C#N)=Cc1ccc(OC(=O)C=Cc2ccc(OC(C)C)c(OC)c2)c(OC)c1 2314774439 LSAOEFZMOQEPLX-UHFFFAOYSA-N 451.475 4.190 50 10 JIGE ClCC1(CNCc2ccc(I)c(Br)c2)CCOCC1 2349847590 LBRPABJFKKDIAF-UHFFFAOYSA-N 458.565 4.179 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@H]2CC[C@H]1[C@@H](Cl)C2 2349954344 FOMLBXANQBUTEJ-QWRKXWFKSA-N 454.533 4.286 50 10 JIGE CC(C)CCN1C(=O)/C(=N/NC(=O)c2ccccc2NS(=O)(=O)c2cccs2)c2ccccc21 13134156 HTMBBTPZZQAXLQ-YYDJUVGSSA-N 496.614 4.076 50 10 JIGE COc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@@H](C)Oc3ccc(F)cc3)ccc21 38650038 OYJNNCFRCQLMNK-OYLFLEFRSA-N 460.461 4.425 50 10 JIGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(F)cc4)ccc32)cc1 38685677 DXRVOBHCCXMMFV-RUZDIDTESA-N 460.461 4.427 50 10 JIGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)cc1 38685795 FCSFCRXLEFWMAT-QHCPKHFHSA-N 457.442 4.431 50 10 JIGE CCOc1ccccc1Nc1ncnc(NNC(=O)COc2ccc(Cl)cc2Cl)c1[N+](=O)[O-] 40659567 XEFQZOVOSPVOOS-UHFFFAOYSA-N 493.307 4.356 50 10 JIGE COc1c(C(=O)N/N=C2\C(=O)N(CCOc3ccccc3)c3ccccc32)ccc2ccccc12 59152203 YXFVDGCACIYDHP-GNVQSUKOSA-N 465.509 4.408 50 10 JIGE Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(N(CCCl)CCCl)cc3)C2=O)c(C)c1 103812917 CPKIUXQMNQWBKC-XMHGGMMESA-N 460.361 4.254 50 10 JIGE COc1cc(C=NNC(=O)C(O)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc(OC)c1 252620958 MPVTWAPIUAMWIW-UHFFFAOYSA-N 459.329 4.397 50 10 JIGE COc1ccc(C(C)=NNC(=O)c2cc(-c3c(C)nn(-c4ccccc4)c3C)n[nH]2)cc1OC 254521414 CPAYKYDRYLJJHM-UHFFFAOYSA-N 458.522 4.050 50 10 JIGE Nc1nonc1-c1nc2ccccc2n1CC(=O)NN=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 254753140 RZBLTHSZAGATNK-UHFFFAOYSA-N 495.421 4.098 50 10 JIGE Cc1ccc(-c2nnc(SCC(=O)NN=Cc3cccc(O)c3)n2-c2ccc(C)cc2)cc1 254840599 CIYYIXMBMOFZQJ-UHFFFAOYSA-N 457.559 4.499 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2CC[C@@](C)(CBr)C2)cc1Br 381589948 LFMFLHGGNTULFY-ZDUSSCGKSA-N 490.055 4.316 50 10 JIGE CC[C@H](Br)[C@H](C)NS(=O)(=O)c1cc(Br)ccc1Br 387358061 GWZMDUVHEFRCGZ-CBAPKCEASA-N 464.017 4.052 50 10 JIGE COC[C@](C)(CBr)N(C)C(=O)c1cc(Br)cc(Br)c1 708335564 ZBAMNULKSWQVKO-ZDUSSCGKSA-N 457.988 4.084 50 10 JIGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CCS[C@H](CCBr)C1 719978714 WCOJCKCRQQOCKK-SSDOTTSWSA-N 469.673 4.055 50 10 JIGE COc1ccc(C(=O)NNC(=O)c2ccccc2-c2nc(-c3cccc(Cl)c3)no2)c(OC)c1 731194963 ZHZZYBAIPLEPEF-UHFFFAOYSA-N 478.892 4.149 50 10 JIGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCC#N 1084614547 KOZSOHUMIZBPLM-FQEVSTJZSA-N 456.340 4.044 50 10 JIGE Cc1cc(C)cc(NC(=O)COc2cccnc2NC(=O)Oc2ccc([N+](=O)[O-])cc2F)c1 1858683008 VPTNRPRZMJKIRE-UHFFFAOYSA-N 454.414 4.374 50 10 JIGE CC1(C)[C@H](Br)CCCN1S(=O)(=O)c1cc(Cl)c(Br)s1 1887813851 JFWNATXOFLTZIC-MRVPVSSYSA-N 451.633 4.491 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1C[C@@H]2C[C@H](C[C@@H]2Br)C1 2107292594 KIVFCBHHLCOSIU-MIMYLULJSA-N 454.533 4.190 50 10 JIGE O=S(=O)(N[C@H]1C[C@H]2C[C@H]1C[C@@H]2Br)c1cc(Br)ccc1Br 2160695873 GPVPYQCBDULWQJ-ULCXWNMLSA-N 488.039 4.052 50 10 JIGE O=C(c1scc(Br)c1Br)N1C[C@@H](CBr)OC2(CCC2)C1 2165769408 ZAVUHYFIFXUQPA-MRVPVSSYSA-N 488.039 4.432 50 10 JIGE CN(C[C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(Cl)c(CBr)c1 2179795477 SEBPAGKRHGEUOX-QGZVFWFLSA-N 471.848 4.378 50 10 JIGE C[C@@H]1[C@@H](O[C@H](CI)c2cccc(Br)c2)C2CCN1CC2 2198009240 JTAPGXTTYBBIPY-HFBAOOFYSA-N 450.158 4.425 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N1CC2CC1(CBr)C2 2277937255 URPLFPPNZBIMFA-UHFFFAOYSA-N 451.984 4.140 50 10 JIGE CCC[C@H]1CN(C(=O)c2c(F)cccc2I)C[C@H]1CBr 2282805407 DVZCRMGAUMKTIF-WDEREUQCSA-N 454.121 4.314 50 10 JIGE CCN(CC)C(=O)COc1ccc(C=NNC(=O)c2ccc(-c3ccc(OC)cc3)nc2C)cc1 2321218577 FGNZQSTXQCSKLF-UHFFFAOYSA-N 474.561 4.077 50 10 JIGE Cc1c(Br)cccc1C(=O)NCC(F)(F)C(F)(F)CI 2361678728 DCTQPKPOHYTDMU-UHFFFAOYSA-N 468.026 4.193 50 10 JIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(Br)cc4)c32)cc(OC)c1OC 9490003 PUGHGANIJMLBJY-QGZVFWFLSA-N 483.322 4.083 50 10 JIGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)/C=C\c2ccccc2OC)cc1 33566165 VMBPWYUHLIIHOS-SSZFMOIBSA-N 455.580 4.003 50 10 JIGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(OC)cc4)ccc32)c1 38685012 BJBYQKGRNHJWFM-AREMUKBSSA-N 456.498 4.460 50 10 JIGE CN(Cc1ccccc1Br)S(=O)(=O)c1cc(CCl)oc1Br 91271789 HYDBBEHMESJGDW-UHFFFAOYSA-N 457.571 4.364 50 10 JIGE CCCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)CC)cc2)cc1 100154389 RZARLAMDILGFFA-UHFFFAOYSA-N 484.622 4.334 50 10 JIGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)cc1 101336936 NGDGONFARPAQFF-SFFGGSCWSA-N 494.551 4.319 50 10 JIGE Cc1cc(C)c2c(c1)/C(=N/NC(=O)/C(=C/C=C/c1ccccc1)NC(=O)c1ccccc1)C(=O)N2 103889578 CNCLRYNSLHIXMZ-GSNARSAFSA-N 464.525 4.103 50 10 JIGE CCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c(F)c2)C1=O 214209304 DXKWJNPLCFYUOR-NDENLUEZSA-N 456.477 4.299 50 10 JIGE CCCOc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(OC)cc2)cc1 254532031 STRSXIBOGJDXBX-DYBOXTRGSA-N 457.530 4.405 50 10 JIGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)N1CCN(c3cccc(Cl)c3)CC1)[C@@H](Br)C2=O 256019371 XNRYMJFNOARTRR-DQLDELGASA-N 453.808 4.148 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1CCSC[C@@H]1CCBr 689277524 HJQIAOHFAYKILQ-JTQLQIEISA-N 474.589 4.287 50 10 JIGE C[C@@H]1CN(S(=O)(=O)c2cc(Cl)c(Br)s2)C[C@]1(C)CBr 694719047 ZPLBAXMMAAMJNE-HQJQHLMTSA-N 451.633 4.206 50 10 JIGE CCOc1ccc(C=NNC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)cc1 725403063 UOIUFMBBAGZNGR-UHFFFAOYSA-N 456.590 4.167 50 10 JIGE Cc1cc(/C=C(/C#N)C(=O)OCC(=O)c2ccc(NC(N)=O)cc2)c(C)n1-c1ccc(F)cc1 887563024 BSVCNVCEMFFHOG-UNOMPAQXSA-N 460.465 4.057 50 10 JIGE N#CCCn1cc(/C=C(/C#N)C(=O)N2CCN(C3CCCC3)CC2)c(-c2ccc(Cl)cc2)n1 914574284 HMHCBDVPJPIBQY-SILNSSARSA-N 462.985 4.111 50 10 JIGE C[C@@H](Sc1ccccn1)C(=O)NN=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 1084016041 QLOLOVGBJHMZPZ-CQSZACIVSA-N 467.463 4.321 50 10 JIGE Cc1nc2ccccn2c1C(=O)NN=C1C(=O)N(Cc2cccc3ccccc23)c2ccccc21 1084043601 AVLCROVGZLCDJE-UHFFFAOYSA-N 459.509 4.477 50 10 JIGE Cc1ccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084588466 RHTVHNZECPLZJH-UHFFFAOYSA-N 469.994 4.032 50 10 JIGE COC(=O)NN=C(c1ccc(OC)cc1)[C@@H](c1ccc(OC)cc1)[C@@H]1OC(=O)c2ccccc21 1088700186 ASDUSDVPCQVXER-ISKFKSNPSA-N 460.486 4.459 50 10 JIGE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNc1c(F)cc(F)cc1Br 1147944044 RZBJCSLWVBOPOU-GFCCVEGCSA-N 454.699 4.206 50 10 JIGE COc1ccccc1/C(C#N)=C/c1ccc(OC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)cc1 1615099422 YGSBJIGVTASNGF-BYFYWULKSA-N 452.466 4.349 50 10 JIGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 1673232505 JYJITCODGBSXHE-HOYKHHGWSA-N 456.502 4.165 50 10 JIGE Cc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)NNC(=O)c3ccc(Cl)cc3)c(C)c21 1772743440 ALQGDUOXLHRXAS-UHFFFAOYSA-N 478.936 4.095 50 10 JIGE Cc1ccc(C(=O)NN=C2CCCc3oc(C(=O)N4CCN(c5ccccc5)CC4)c(C)c32)cc1 1772745099 RYTSJPBUAKJCRG-UHFFFAOYSA-N 470.573 4.329 50 10 JIGE CCN(CC)C(=O)COc1ccc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)cc1 1772755124 ONJLSRFPLYHHTQ-UHFFFAOYSA-N 482.631 4.300 50 10 JIGE COc1cccc(OCC(=O)NN=Cc2ccc(OCc3ccccc3Cl)c(OC)c2)c1 1772756328 UMQMPDLBLZPSBL-UHFFFAOYSA-N 454.910 4.465 50 10 JIGE N#Cc1c(NC(=O)COc2cccnc2NC(=O)Oc2ccc([N+](=O)[O-])cc2)sc2c1CCCC2 1858686181 NLZDDCMSNNEPCM-UHFFFAOYSA-N 493.501 4.430 50 10 JIGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(O)c(OC)c1)C(C#N)=C(N)O2 1865705845 HCAWQANPCMZBSD-LJQANCHMSA-N 467.323 4.130 50 10 JIGE Cc1nc(-c2ccc(Cl)cc2)ccc1C(=O)NNC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1865755940 XYSDLTGWUGPVSX-KRWDZBQOSA-N 472.973 4.119 50 10 JIGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)NNC(=O)Cc1ccccc1[N+](=O)[O-] 1865759089 HSWKPMJKIWVHOI-UHFFFAOYSA-N 459.289 4.276 50 10 JIGE N#Cc1cc(I)c(Oc2ncc(CBr)s2)c([N+](=O)[O-])c1 2155332393 LIZJVWHSYQHMDX-UHFFFAOYSA-N 466.054 4.215 50 10 JIGE CC[C@@]1(NS(=O)(=O)c2ccc(CBr)cc2)CCCN(C(=O)OCc2ccccc2)C1 2162588610 IAXAMXKDKRMGLG-JOCHJYFZSA-N 495.439 4.441 50 10 JIGE C[C@H](Br)CN1CCCN(C(=O)c2scc(Br)c2Br)CC1 2176858057 MKWSRUQASAQQHW-VIFPVBQESA-N 489.071 4.204 50 10 JIGE Cc1cc(S(=O)(=O)N(C)[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)ccc1CBr 2179788007 WORXIULDYYQCLR-YLJYHZDGSA-N 451.430 4.173 50 10 JIGE Cc1csc(CBr)c1S(=O)(=O)N1C[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C 2179816499 RTGZUSOLPXBJCK-RDJZCZTQSA-N 471.486 4.483 50 10 JIGE CCCN[C@@H](c1cc(I)cc2c1OCC2)C1CC(Br)C1 2196881348 SGYOEEZRFWEYDK-KOHJWAIASA-N 450.158 4.440 50 10 JIGE O=S1(=O)C[C@@H]2[C@H]([C@H](Br)c3cc(Br)c(Br)cc3F)[C@@H]2C1 2225616929 KKTGRWUUDQDXSZ-HBNNVMOKSA-N 476.987 4.077 50 10 JIGE Clc1ccc(I)c(CN2C[C@@H]3CC[C@H](CBr)O[C@@H]3C2)c1 2289171699 FKMVFEWJPWHHMI-PSOPSSQASA-N 470.576 4.319 50 10 JIGE CCCc1cc(C(=O)OC)c(NC(=O)C(C#N)=Cc2ccc(OC(C)=O)c(OCC)c2)s1 2295353418 VRZKZVPGQLRRLZ-UHFFFAOYSA-N 456.520 4.357 50 10 JIGE CC(C)(C)OC(=O)N1C[C@H](I)[C@@H](OCc2cc(C(C)(F)F)ccn2)C1 2327983598 PLVYETASSPQVGM-KBPBESRZSA-N 468.282 4.133 50 10 JIGE O=C(N[C@H]1C[C@H](CCl)[C@H]2C[C@@H]12)c1cc(I)ccc1Br 2329872999 GAHBHSRKYLPKFS-HMMKDHSLSA-N 454.533 4.047 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@H]2C[C@H](CCl)[C@H]2C1 2330494993 AQROFUUKXCJUER-GMTAPVOTSA-N 454.533 4.001 50 10 JIGE Cc1cc2c(c(=O)n1CCc1ccc(O)c(O)c1)[C@H](c1ccc(C(C)C)cc1)C(C#N)=C(N)O2 2351462 PKGVCLIUYZORAU-XMMPIXPASA-N 457.530 4.152 50 10 JIGE Cc1cc2c(cc1Br)NC(=O)/C2=N\NC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 12487712 HCVNAEGXHDTKNL-UHFFFAOYSA-N 483.366 4.363 50 10 JIGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(NC(C)=O)cc1 14648267 GJCSZERRTGIABI-UHFFFAOYSA-N 476.371 4.441 50 10 JIGE N#C/C(=C/c1ccc(/C=C(/C#N)S(=O)(=O)c2ccccc2)cc1)S(=O)(=O)c1ccccc1 33384503 JIAWLSPZTAQNHI-MPKYGIEOSA-N 460.536 4.363 50 10 JIGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(CC)cc1 206731399 HPEWSEUHHOVEGP-STZFKDTASA-N 474.513 4.448 50 10 JIGE COc1ccc(NC(=O)/C(C#N)=C\Nc2ccc(I)cc2C)cc1OC 216728614 XBJUZGGCVHWHPS-QBFSEMIESA-N 463.275 4.075 50 10 JIGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNC(=O)c3ccccc3C)cc2)cc1 254400200 QOJXRRHLJGHCTE-UHFFFAOYSA-N 487.556 4.273 50 10 JIGE CC(=NNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C)cc1)c1cccc(O)c1 254742650 NHUNTZJKBWMDJP-UHFFFAOYSA-N 458.543 4.032 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@H]2C[C@H](Cl)C[C@H]1C2 721592805 HLXFUDQZIVQGFY-INTQDDNPSA-N 454.533 4.286 50 10 JIGE Cc1ccc([C@H](CNC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)N2CCCC2)o1 725743851 DDUJSYDMNNJWKW-FOOJEKODSA-N 468.561 4.225 50 10 JIGE CCOc1ccccc1OCC(=O)NNC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12 727705700 XOZLZNADQJCZGZ-UHFFFAOYSA-N 490.491 4.145 50 10 JIGE C=CCN(C(=O)/C(C#N)=C\c1cc(C)n(C[C@H]2CCCO2)c1C)c1nc(C(=O)OCC)cs1 749127397 FHCHUIGCMWXSJM-NURJGKTBSA-N 468.579 4.043 50 10 JIGE CN(C[C@H]1COc2ccccc2O1)C(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1 818031986 BXQVETLUXCABIY-JJEHFPDLSA-N 487.947 4.323 50 10 JIGE CCC(=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(=O)C[C@@]21C 1073270401 VAUBWHIQMRKGBN-NVZULNOVSA-N 464.961 4.311 50 10 JIGE COc1ccc(C=NNC(=O)COc2c(C)cc(Br)cc2Br)cc1OC 1084057088 FTEWFVKBXNJGGM-UHFFFAOYSA-N 486.160 4.066 50 10 JIGE O=C(NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(I)c1 1084297337 BTSKDBSESUCAAV-UHFFFAOYSA-N 461.215 4.223 50 10 JIGE NNC(=O)/C=C\c1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1 1084410282 UCBSZZZFSKKUOI-UTCJRWHESA-N 460.553 4.447 50 10 JIGE C=CCOc1ccc(CC(=O)NNC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)cc1 1124197525 DROWXDCRZCCDLF-UHFFFAOYSA-N 450.922 4.488 50 10 JIGE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NNc1c(F)cc(C(=O)NC2CC2)cc1F 1151495781 SWOOOKIGYCQFEM-UHFFFAOYSA-N 455.383 4.198 50 10 JIGE Cc1c(Br)sc([C@@H](Br)[C@H]2CCS2(=O)=O)c1Br 1922931364 BMOYTNXSWPGWEA-VDTYLAMSSA-N 453.015 4.205 50 10 JIGE O=C(c1cccc(Br)c1Br)N1CCC(I)CC1 2021446047 SUWCOKAQHQOXKX-UHFFFAOYSA-N 472.946 4.251 50 10 JIGE CCOC(=O)Cc1cc(I)cc(Br)c1CBr 2054992516 PFQJEUXHGUJSOW-UHFFFAOYSA-N 461.919 4.054 50 10 JIGE C[C@H]1C[C@H]1N(CCBr)C(=O)c1ccc(Br)cc1I 2086150197 XTWFYMCSQQLBOD-QPUJVOFHSA-N 486.973 4.299 50 10 JIGE C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2cc(CCl)oc2Br)CN1Cc1ccccc1 2098610422 YYJKFUUWGNZGRM-UKRRQHHQSA-N 461.809 4.064 50 10 JIGE O=C(c1cc(Br)ccc1Br)N1C[C@@H]2C[C@H](C[C@@H]2Br)C1 2107292446 IYILPVMSXTUKNB-ZDMBXUJBSA-N 451.984 4.457 50 10 JIGE CC(C)(COc1c(Br)cc(CBr)cc1Br)S(C)(=O)=O 2111591866 BYWKEQJTWDZNON-UHFFFAOYSA-N 479.028 4.309 50 10 JIGE C=C[C@]1(CBr)COCCN1C(=O)c1csc(Br)c1Br 2135112826 VQOLTNJQARKXKC-LBPRGKRZSA-N 474.012 4.065 50 10 JIGE O=C(N[C@H]1CCCC[C@@H]1CCBr)c1ccc(I)c(O)c1 2146717353 AZMOVLZRQGAMSP-MFKMUULPSA-N 452.130 4.070 50 10 JIGE C[C@@H]1CCC[C@H](CNC(=O)OC(C)(C)C)N1S(=O)(=O)c1ccc(CBr)cc1 2163056013 NIQDADOZSLIIAP-GDBMZVCRSA-N 461.422 4.038 50 10 JIGE Cc1cc(S(=O)(=O)N(C)CC2CCN(Cc3ccccc3)CC2)sc1CBr 2179825047 CBHSBNAFTUGWTD-UHFFFAOYSA-N 471.486 4.484 50 10 JIGE O=S(=O)(N[C@H]1CC[C@H]1CBr)c1c(Cl)cc(Br)cc1Cl 2225384069 FSZSMHAXTVHLRJ-WKEGUHRASA-N 451.995 4.208 50 10 JIGE O=C(NCC1(CBr)CC(F)(F)C1)c1cc(Cl)ccc1I 2281662853 BYSBGWURSQSJAS-UHFFFAOYSA-N 478.502 4.485 50 10 JIGE O=S1(=O)CCCC[C@H]1[C@H](Br)c1sc(Cl)cc1I 2301082982 DRDQNAYUPQEBBW-CBAPKCEASA-N 469.591 4.409 50 10 JIGE CC(C)(CI)CN=[S@]1(=O)CC[C@H](CNC(=O)OC(C)(C)C)C1(C)C 2306816540 SIBAOXQTMWLKGO-OZAJXLCCSA-N 472.433 4.239 50 10 JIGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2Cl)cc(I)c1O 2313518951 CSYBRGCTFXPQEI-UHFFFAOYSA-N 454.651 4.204 50 10 JIGE N#CC(=Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nn(CCO)c(N)c1C#N 2313543728 DVPOQCABFVJBJW-UHFFFAOYSA-N 454.317 4.279 50 10 JIGE N#CC(=Cc1ccccc1OCc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(c2ccccc2)CC1 2313566943 DYXZPOQUJLHBSJ-UHFFFAOYSA-N 468.513 4.430 50 10 JIGE Nn1c(SCCCC(=O)NN=CC=Cc2ccccc2)nnc1-c1ccccc1Br 2313587852 UKUANUAMXGNYGU-UHFFFAOYSA-N 485.411 4.109 50 10 JIGE O=C(c1cc(Br)ccc1Br)N1C[C@H]2CC[C@H](Br)[C@H]2C1 2328657462 YCHRKHFRDJMGRW-WLTAIBSBSA-N 451.984 4.457 50 10 JIGE CN(C(=O)c1c(Br)c(Br)nn1C)C1(CBr)CCCCC1 2364024470 NACVDWAXMIVBHL-UHFFFAOYSA-N 472.019 4.115 50 10 JIGE O=P(C[C@H](CO)P(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 8445336 STMQJBRDKDXHAM-MHZLTWQESA-N 460.450 4.376 50 10 JIGE Cc1cc(Br)cc(C)c1O[C@H](C)C(=O)NNC(=O)Cc1cccc2ccccc12 14643294 WFZHTKKDPQQCKB-MRXNPFEDSA-N 455.352 4.377 50 10 JIGE CC(C)c1ccccc1OCC(=O)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Br 14644158 WYBVDNBGSLAWDY-CYBMUJFWSA-N 469.763 4.220 50 10 JIGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)Cn2ccc3ccccc32)c(Br)c1 14832367 IPPAIBMRCGYGAD-HNNXBMFYSA-N 458.356 4.144 50 10 JIGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)/C=C/c2ccc(Cl)cc2)cc1 14833998 UYVUASJBJKKZEF-OVCLIPMQSA-N 492.988 4.250 50 10 JIGE CC(C)(CCl)C(=O)N1CCN(C(=O)CN2CCc3sccc3[C@@H]2c2ccc(Cl)cc2)CC1 34787452 HYLYLLFTRNBTJX-QFIPXVFZSA-N 494.488 4.285 50 10 JIGE Cc1ccc(Nc2ncnc(NNC(=O)c3ccccc3Br)c2[N+](=O)[O-])cc1C 40590163 IASLEEZVVPLYAS-UHFFFAOYSA-N 457.288 4.265 50 10 JIGE Cc1c(C(=O)NC2CC(C)(C)NC(C)(C)C2)oc2c1/C(=N/NC(=O)c1cccs1)CCC2 40823760 ILGWTMUKLJHYKM-WGOQTCKBSA-N 456.612 4.159 50 10 JIGE N#C/C(=C/C1=C(N2CCOCC2)/C(=C/c2cccc([N+](=O)[O-])c2)CC1)c1nnc2n1CCCCC2 108493894 MUPPMFXUHQZHLT-QCWMVPTMSA-N 472.549 4.283 50 10 JIGE CCCOc1ccccc1/C=C(/C#N)C(=O)Oc1ccc(/C=C(/C#N)C(=O)NC(C)C)cc1OC 206990821 VAWRJGKMAZEXBN-FVRCQLKHSA-N 473.529 4.428 50 10 JIGE COc1cc(Br)ccc1OCC(=O)NN=C(C)c1ccc(Br)cc1 252632630 VVPLOOKCGFPAIJ-UHFFFAOYSA-N 456.134 4.139 50 10 JIGE CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(C(=O)O)cc2)cc1 252633283 WBMKKEJCMLVKLI-GMYZUSBHSA-N 484.556 4.152 50 10 JIGE CC(C)C(=O)NNC(=O)[C@@H](C)Sc1nnc(-c2ccc3ccccc3c2)n1-c1ccccc1 253577045 WOONXCCIJXEBIV-QGZVFWFLSA-N 459.575 4.372 50 10 JIGE C[C@@H]1[C@@H](CBr)CCN1C(=O)c1cc(I)ccc1Br 385959808 YRZFQMUNLHEOKN-RKDXNWHRSA-N 486.973 4.299 50 10 JIGE Cc1c(Br)cc(CCl)cc1S(=O)(=O)N1CCN(Cc2ccccc2)CC1 387120871 LMVKIEJWBYUWFQ-UHFFFAOYSA-N 457.821 4.003 50 10 JIGE C[C@@H]1CN(S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)C[C@H]1CBr 709123457 CLEJSIMNANIJRY-HTQZYQBOSA-N 466.022 4.407 50 10 JIGE CC(CCl)(CCl)NC(=O)c1ccc(I)c(Br)c1 721593418 KJMMSOFHDMWFGS-UHFFFAOYSA-N 450.929 4.020 50 10 JIGE O=C(NN=C1C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21)c1ccccc1 1083896304 XEPZVYWPYQLEIC-UHFFFAOYSA-N 452.283 4.269 50 10 JIGE Cc1ccc(N(CC(=O)NN=Cc2ccc(OC(C)C)cc2)S(=O)(=O)c2ccccc2)cc1C 1084392973 WQJPTVBAGWVJCF-UHFFFAOYSA-N 479.602 4.436 50 10 JIGE O=C(/C=C/c1cn(Cc2ccccc2)nc1-c1ccccc1)NNC(=O)c1cc(Br)c[nH]1 1087922199 AFZPEKLPHPHIPQ-VAWYXSNFSA-N 490.361 4.163 50 10 JIGE C=CCn1c(SCC(=O)NNc2nccnc2C2CCC2)nnc1-c1ccc(Cl)cc1 1467887802 ADKXVDOWCSJJSD-UHFFFAOYSA-N 455.975 4.077 50 10 JIGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)cc1 1562264509 BPRWVQKCFXWMLD-HNNXBMFYSA-N 459.930 4.484 50 10 JIGE Cc1cccc(C(=O)NN=C2CCCc3oc(C(=O)N4CCN(c5ccccc5F)CC4)c(C)c32)c1 1772744301 BFRPZLMQZVTHOU-UHFFFAOYSA-N 488.563 4.468 50 10 JIGE COc1cc(/C=C(\C#N)S(=O)(=O)c2ccccc2)ccc1OCC(=O)Nc1ccc(C)cc1 1872727193 FGFUXYOMFRLHHI-HYARGMPZSA-N 462.527 4.360 50 10 JIGE CN(Cc1nn(C)cc1Br)c1cccc(Br)c1CBr 1912465009 PDKOHOCFODTWPJ-UHFFFAOYSA-N 451.988 4.476 50 10 JIGE CC(C)(C)OC(=O)Nc1ccc(C(=O)N[C@H]2C[C@@H](Br)C2)cc1I 1986070627 ITZAMWVIDPWOGI-PHIMTYICSA-N 495.155 4.294 50 10 JIGE O=C(N[C@@H]1C[C@H](CBr)[C@H]2C[C@H]21)c1cc(Br)sc1Br 2048006813 XRPBXKPBHAJKON-JXOAFFINSA-N 458.013 4.422 50 10 JIGE O=C(c1cc(Br)ccc1Br)N1C[C@H](CBr)C2(CC2)C1 2087792996 QWBDCBNLYAYDNB-VIFPVBQESA-N 451.984 4.459 50 10 JIGE CC[C@@H](Br)CN(C1CC1)S(=O)(=O)c1cc(Cl)c(Br)s1 2107420393 BMACNWWRCKXQAE-SSDOTTSWSA-N 451.633 4.491 50 10 JIGE BrC[C@@H]1CO[C@@H]2CN(Cc3cc(Br)ccc3Br)C[C@H]12 2121585884 AYWNWAOCRVAODP-MPKXVKKWSA-N 454.000 4.053 50 10 JIGE CN(Cc1ccccc1)C1CN(S(=O)(=O)c2cc(Cl)cc(CBr)c2Cl)C1 2123268092 CHHJKQMBQMBPDD-UHFFFAOYSA-N 478.239 4.393 50 10 JIGE O=C(N[C@@H]1CC[C@H]2C[C@@]21CCl)c1cc(Br)ccc1I 2132110011 BHBBBMOBDIMQJS-REAQECSSSA-N 454.533 4.191 50 10 JIGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CC[C@@H]2C[C@@H](Br)CC[C@@H]21 2143978257 XROIWHFGNGCSBV-WEDXCCLWSA-N 463.644 4.491 50 10 JIGE O=S(=O)(C[C@H](Br)c1cc(Br)cc(Br)c1)N1CCCCC1 2145635855 JASNPXOYRLSUKG-ZDUSSCGKSA-N 490.055 4.463 50 10 JIGE C[C@@H]1CN(S(=O)(=O)c2cc(Br)ccc2Br)CC[C@@H]1CBr 2165331567 URWBRGRCENVQIP-NXEZZACHSA-N 490.055 4.253 50 10 JIGE COc1ccc(C(=O)Oc2ccc(C=C(C#N)C(=O)Nc3ccc([N+](=O)[O-])cc3O)cc2OC)cc1 2297400001 VKRMNZNBZLPKKJ-UHFFFAOYSA-N 489.440 4.082 50 10 JIGE O=C(N[C@@H]1C[C@@H](CBr)[C@H]2C[C@H]21)c1cc(Br)sc1Br 2309226515 XRPBXKPBHAJKON-YYWONIAYSA-N 458.013 4.422 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OC[C@H]2COC3(C)CC2C3)C1 2317959249 HREXJWYTGIPOIE-BOEXQBHPSA-N 465.372 4.023 50 10 JIGE CCOc1ccc(C=NNC(=O)c2ccc3nc(Cc4ccc(OC)cc4)[nH]c3c2)cc1OC 2323720761 DTPQJPLOFPXMHT-UHFFFAOYSA-N 458.518 4.334 50 10 JIGE Brc1cc(C[C@H]2CN(C3CC3)C[C@@H]2Br)ccc1I 2325227344 ZEIPTJRWTUOGPF-GWCFXTLKSA-N 485.001 4.454 50 10 JIGE COc1ccc(C=NNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1OCc1ccc(C)cc1 2328829510 VGDWGSXCXFYIRT-NRFANRHFSA-N 467.566 4.432 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1C[C@@H]2C[C@H](CBr)[C@@H]2C1 2340052877 UDPUBYOMGAHQGF-PTRXPTGYSA-N 454.533 4.048 50 10 JIGE C[C@@H](Br)CC1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(I)sn1 2366999294 CKWMVVLVIJABFI-UBJLHIIHSA-N 469.186 4.304 50 10 JIGE COc1ccc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)cc1COc1ccc(F)cc1F 2946050 MZZMERQMHJZGEX-UVHMKAGCSA-N 453.445 4.275 50 10 JIGE COc1ccc(CC(=O)NNC(=O)c2ccc(SCc3ccccc3C)c([N+](=O)[O-])c2)cc1 3020488 QSBQWKQZCMEFMM-UHFFFAOYSA-N 465.531 4.208 50 10 JIGE CCCOc1cccc(C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)c1 14641282 PRHONWGFRMQJAF-UHFFFAOYSA-N 463.372 4.375 50 10 JIGE CC1=C(C(=O)N/N=C/c2cccc(Cl)c2)[C@@H](c2ccc(Br)cc2)NC(=S)N1 59384234 ZBPBGJUXFGIJAI-MMXTWKRJSA-N 463.788 4.046 50 10 JIGE O=C(CNc1ccc(I)cc1)N/N=C(/c1ccccc1)c1cccs1 253565572 HWUSRYGVCMJRQL-NMWGTECJSA-N 461.328 4.333 50 10 JIGE COc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)c2c(C)nc3ccccn23)cc1OC 254742130 XCKQBFIVIGRJCI-UHFFFAOYSA-N 480.528 4.277 50 10 JIGE O=C(NN=Cc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1 254841607 RJZKOOWXPQCSSF-UHFFFAOYSA-N 494.463 4.401 50 10 JIGE C[C@]1(CBr)CCCCN1S(=O)(=O)c1cc(Cl)c(Br)s1 723010036 WNZONLHZHMUZMT-LLVKDONJSA-N 451.633 4.492 50 10 JIGE O=C(NNc1ccc(F)c(F)c1F)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1 727758788 HTPXKTLZIYAZJS-UHFFFAOYSA-N 481.883 4.266 50 10 JIGE C#CCOc1c(CC=C)cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1OCC 1084603452 GYIOLGHDIDHUMP-XMMPIXPASA-N 464.562 4.188 50 10 JIGE C/C(=C/C(=O)NNC(=O)CCCCCNC(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1 1453548257 MRBAAGMGNZNUHY-SQFISAMPSA-N 457.493 4.341 50 10 JIGE Cc1cc2nc(NNC(=O)C(Cl)(Cl)Cl)sc2c(C)c1I 1615892580 ZARQQMRRYNFGGM-UHFFFAOYSA-N 464.543 4.331 50 10 JIGE COc1cccc(C(=O)NN=C2CCCc3oc(C(=O)NC4CC(C)(C)NC(C)(C)C4)c(C)c32)c1 1772746047 AAGABNLXFUOHQV-UHFFFAOYSA-N 480.609 4.106 50 10 JIGE O=S(=O)(C[C@H](Br)c1scc(Br)c1Br)N1CCCC1 2028945898 LBJCAZUZXOTOSO-QMMMGPOBSA-N 482.057 4.135 50 10 JIGE C[C@H]1C[C@@H](CBr)CN1C(=O)c1ccc(I)c(Br)c1 2038874201 OCGILCKIBNSRKX-IUCAKERBSA-N 486.973 4.299 50 10 JIGE C[C@H]1CCCN(c2nnc(SCC(=O)C(C#N)=C3Nc4ccccc4N3C)n2Cc2ccco2)C1 2040494913 AJLSKRQCIMWVNI-KRWDZBQOSA-N 489.605 4.114 50 10 JIGE O=C(COC(=O)C(=Cc1ccc(Cl)cc1)c1ccc(F)cc1)NNC(=O)c1ccccc1 2042438034 CRVSPHXSYCMBTC-UHFFFAOYSA-N 452.869 4.024 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@H](CCl)C2(CC2)C1 2142280006 XTPIMCIIEVQETD-VIFPVBQESA-N 454.533 4.145 50 10 JIGE C[C@H](Br)CCc1cn(Cc2ccc(I)c(Cl)c2)nn1 2142959696 WGBZVSHFWSFEOW-VIFPVBQESA-N 454.537 4.300 50 10 JIGE C[C@@H]1CN(S(=O)(=O)c2cc(Br)ccc2Br)[C@H](C)C[C@@H]1Br 2149518063 FMIBTAGPSZQCTP-LNLATYFQSA-N 490.055 4.394 50 10 JIGE CC(F)(F)C[C@H](CCl)NS(=O)(=O)c1cc(Br)ccc1Br 2169544970 RHXTZIVJZYBVCS-MRVPVSSYSA-N 455.546 4.143 50 10 JIGE Cc1ccc(CBr)cc1S(=O)(=O)N1C[C@H](C)N(Cc2ccccc2)C[C@@H]1C 2179789952 XUOAWZPSNWDOPA-ROUUACIJSA-N 451.430 4.173 50 10 JIGE CN(C[C@@H]1CCCCN1Cc1ccccc1)S(=O)(=O)C1CCC(CBr)CC1 2179824887 AJJYFKNJICJOGG-CKHPTIKVSA-N 457.478 4.256 50 10 JIGE CC(C)n1cc(S(=O)(=O)N2CC[C@@H](COCc3ccccc3)C2)cc1CBr 2179860347 QJGIWPIRFBKBSP-GOSISDBHSA-N 455.418 4.191 50 10 JIGE Cn1c(=O)n(C)c2cc([C@H](Br)[C@H]3C[C@H](Br)C3)c(Br)cc21 2196881413 STGLMZYOVHXOKS-OTPXZMOZSA-N 466.999 4.249 50 10 JIGE Cc1cc(C(=O)N2CC(F)(F)C[C@@]2(C)CBr)ccc1I 2207106861 OALZQDKWNZTWSS-ZDUSSCGKSA-N 458.084 4.234 50 10 JIGE CC(C)(C)OC(=O)N1CCN(CCCCCI)C[C@H]1C(F)(F)F 2211188838 GKSDONSPKYJORL-LBPRGKRZSA-N 450.283 4.075 50 10 JIGE CN(C[C@@H](Br)COCc1ccccc1)S(=O)(=O)Cc1cccc(Br)c1 2218987955 SDARKIOCTFLMDI-GOSISDBHSA-N 491.245 4.191 50 10 JIGE O=C(C=Cc1ccccc1Cl)NNC(=O)COc1ccc2ccccc2c1Br 2313621518 YTONQYWJPGTOKY-UHFFFAOYSA-N 459.727 4.495 50 10 JIGE C[C@@](N[C@H]1C[C@@H](Br)C1)(C(=O)O)c1cc(Br)c(Br)s1 2326512638 IIPDFUDHMBSDME-CPZGKSPBSA-N 462.001 4.088 50 10 JIGE O=C(N[C@@H]1C[C@@H](CCl)[C@H]2C[C@H]21)c1cc(Br)ccc1I 2329873830 VDBRKQMWGDNDLX-OJPPFWEXSA-N 454.533 4.047 50 10 JIGE C[C@H]1CN(C(=O)c2ccc(Cl)cc2I)C[C@]1(C)CBr 2340062395 ZBLXAQHWJSEBIJ-XPTSAGLGSA-N 456.549 4.438 50 10 JIGE Cc1nc(CCl)cc(OCc2ccc(I)c(Br)c2)n1 2350073269 MUHZRDVLTHMNQJ-UHFFFAOYSA-N 453.505 4.470 50 10 JIGE CC(C)(C)[C@H]1[C@@H](Br)CCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364213455 BHSKEHYAWCFSQN-RBUKOAKNSA-N 499.471 4.057 50 10 JIGE Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)/C(=C/c1ccccc1O)NC(=O)c1ccccc1 3657129 VOGZZKKXGUEKCM-ODCACWBFSA-N 499.958 4.461 50 10 JIGE O=C(COc1ccc2ccccc2c1Br)NNC(=O)c1ccc(OC[C@H]2CCCO2)cc1 13619643 RKTNPHLEJIGVKD-LJQANCHMSA-N 499.361 4.000 50 10 JIGE CC(C)CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccccc1Cl 14651231 AIHLBZQEISBAEL-UHFFFAOYSA-N 498.830 4.477 50 10 JIGE C=CCNC(=O)/C(C#N)=C\c1ccc(OC(=O)COc2c(C)cc(Br)cc2C)c(OC)c1 33631599 FDIXPUWCLFIUGQ-WQRHYEAKSA-N 499.361 4.268 50 10 JIGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3[N+](=O)[O-])ccc2[C@@H]1c1cccc(Cl)c1 38651150 OTCKMYRWEOFSGF-QHCPKHFHSA-N 477.860 4.451 50 10 JIGE Cc1c(C(=O)N2CCC(C)CC2)oc2c1/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 40813405 KBHKPBLPKKOCFQ-KOEQRZSOSA-N 472.929 4.492 50 10 JIGE CCOc1cc(C(=O)NNC(=O)c2sc(Cc3ccccc3)nc2C)cc(OCC)c1OCC 46671524 LSYVCJJFXADWFG-UHFFFAOYSA-N 483.590 4.313 50 10 JIGE N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2ccco2)cc1I 59147225 XQQVTTVQIQVIMU-FSJBWODESA-N 471.254 4.099 50 10 JIGE COc1ccc([C@H](Br)c2cnn(C)c2I)c(OC)c1Cl 379194609 FFOJSPRSHPPUGQ-JTQLQIEISA-N 471.520 4.180 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CCC[C@@H]1CCBr 385049760 NHJOXAQMLPIOJS-SNVBAGLBSA-N 486.973 4.443 50 10 JIGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3cccc4ccccc34)S(C)(=O)=O)c2C)cc1 725391022 FHCOVSFZPKZNJM-UHFFFAOYSA-N 488.613 4.472 50 10 JIGE COc1ccc([C@H](NC(=O)NNC(=O)CCOc2ccccc2)c2ccccc2)cc1Br 728596438 JRKZZRVWZAAWDJ-HSZRJFAPSA-N 498.377 4.347 50 10 JIGE O=C(NNS(=O)(=O)c1ccc(Oc2ccccc2Cl)cc1)c1cccc2cccnc12 734742366 YUYSNKJIBHHDAX-UHFFFAOYSA-N 453.907 4.304 50 10 JIGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)NC2CCC(c3ccccc3)CC2)cc1 920852968 CVGUAIJNHFZYMH-QJOMJCCJSA-N 497.599 4.184 50 10 JIGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ncc(-c3ccc(C)cc3C)s2)cc1 1661531990 YWBUNHDDCJEFPN-INIZCTEOSA-N 452.536 4.250 50 10 JIGE N#CSc1ccc(NC(=O)C2CCN(C(=O)c3ccc(I)cc3)CC2)cc1 1860599045 YDWYXEPNFWHNDU-UHFFFAOYSA-N 491.354 4.355 50 10 JIGE CCN(CC)c1ccc(/C=N/NC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc1 1860773087 PIUURNCPWDQNKJ-RWPZCVJISA-N 473.602 4.430 50 10 JIGE N#CSc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)n([C@@H]3CCS(=O)(=O)C3)n2)cc1 1868165572 QSCBAZGZVLBDDM-QGZVFWFLSA-N 472.979 4.389 50 10 JIGE COCCCN1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(OC)cc4)cs3)cc2C1=O 1872745815 FADCIUJIXVSBLA-XDOYNYLZSA-N 475.526 4.401 50 10 JIGE COc1cccc(/C=N/NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)c1OCc1ccccc1 1873794965 LBLVEYFPDBFNQQ-NTRYICDMSA-N 453.539 4.124 50 10 JIGE O=C(NC1CC([C@@H](F)CCl)C1)c1ccc(I)c(Br)c1 1906453076 KTHUYSWQXFNYQJ-AMUVOQDHSA-N 460.512 4.139 50 10 JIGE O=S1(=O)CC([C@@H](Cl)c2c(Br)sc(Br)c2Br)C1 1924568776 LKPCTEIHESJXSQ-ZCFIWIBFSA-N 473.433 4.360 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCNC[C@@H]1CC(F)(F)CN1C(=O)OC(C)(C)C 1991942024 LXKGAFRSQCIIIU-AWEZNQCLSA-N 471.636 4.127 50 10 JIGE CC[C@@](C)(CBr)NC(=O)c1ccc(Br)cc1I 2026219095 VHKWFZRYYLYQOK-LBPRGKRZSA-N 474.962 4.347 50 10 JIGE C[C@H](Br)CCc1cn(-c2ccc(I)cc2Br)nn1 2068990139 AVMCKJHGNZFSAN-QMMMGPOBSA-N 484.961 4.350 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H]2C[C@H](C[C@@H]2Cl)C1 2107282734 LRZORZZHJDMXAG-QRTLGDNMSA-N 454.533 4.143 50 10 JIGE O=C(c1cc(Br)sc1Br)N1C[C@H](CBr)OCC12CC2 2127548418 RLTSTKGSDOGVGB-ZETCQYMHSA-N 474.012 4.042 50 10 JIGE O=C(N[C@@H]1CC[C@@H]2C[C@@]21CCl)c1cc(I)ccc1Br 2132113618 XRTDUXHSHCOEQN-IHPUGEDLSA-N 454.533 4.191 50 10 JIGE CCCN1CC[C@H]([C@@H](Cl)c2cc(I)ccc2Br)S1(=O)=O 2145769904 KOCDXTMRVBTVHW-OLZOCXBDSA-N 492.604 4.148 50 10 JIGE CC1(C)[C@H](CBr)OCCN1C(=O)c1c(Br)cccc1Br 2159640207 QCTMINHHQFZDEV-NSHDSACASA-N 469.999 4.226 50 10 JIGE CCN([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(C)c(CBr)c1 2179786861 GZIGWFUUVZQQGB-FQEVSTJZSA-N 451.430 4.175 50 10 JIGE Cc1cc(CBr)ccc1S(=O)(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 2179788484 COQLOMJMVUGXKO-SFHVURJKSA-N 451.430 4.175 50 10 JIGE O=S(=O)(c1ccc(CBr)c(Br)c1)N1CCC(Cl)=C(Cl)C1 2179954114 JXMRMIAJBAZYMP-UHFFFAOYSA-N 464.006 4.428 50 10 JIGE C[C@H](c1nscc1Br)N(C)S(=O)(=O)c1ccsc1CBr 2186580142 INTIEEPTZHJZGY-SSDOTTSWSA-N 460.238 4.244 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N1CCSC[C@@H]1CBr 2277918576 UPMKWLZVEXQKRS-LBPRGKRZSA-N 472.040 4.093 50 10 JIGE CC1CC(CBr)(NC(=O)Cc2cc(Br)cc(Br)c2)C1 2277919923 PFFFWTYNTMUVHM-UHFFFAOYSA-N 454.000 4.434 50 10 JIGE O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)NN=Cc1ccc(F)cc1)OCc1ccccc1 2297635588 VFJJYMSCNQYMIU-XMMPIXPASA-N 458.493 4.295 50 10 JIGE CC(C)(CI)CN1CC[C@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C1 2306819484 VDMHVZBCMBRTMN-NWDGAFQWSA-N 464.310 4.225 50 10 JIGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 2314618423 NHLFBODMFJPQGZ-QHCPKHFHSA-N 482.515 4.450 50 10 JIGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)c1c(OC)cccc1OC 2314737127 NJLLYKPERUZSQJ-UHFFFAOYSA-N 472.497 4.155 50 10 JIGE C=CCNC(=O)c1cc2ccc(OC(=O)C(C#N)=Cc3ccc(OCCC)cc3)cc2oc1=O 2314751004 JWXACLOMAPELHW-UHFFFAOYSA-N 458.470 4.010 50 10 JIGE COc1cccc(C=NNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)c1OCc1ccc(F)cc1 2328829505 UTRGIBPUFGEFSH-FQEVSTJZSA-N 471.529 4.263 50 10 JIGE CCOC(=O)c1cnn(-c2cccc(Cl)c2)c1NC(=O)C(C#N)=Cc1ccc(OC)c(OC)c1 2329703483 HLTWEDJALJYWEV-UHFFFAOYSA-N 480.908 4.265 50 10 JIGE Clc1ccc(I)cc1CN1CC[C@H](OCCCBr)C1 2352415542 JBKQXEGHJFPMKZ-ZDUSSCGKSA-N 458.565 4.321 50 10 JIGE CN([C@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]12)S(=O)(=O)CCC(F)(F)CBr 2357091650 NFOOVCKMYNKBNI-XSLAGTTESA-N 466.388 4.052 50 10 JIGE Cc1ccc(O[C@H](C)C(=O)NNC(=O)COc2ccc(Br)cc2C(C)C)cc1C 9231661 ZEPIYKKCHLBIPU-MRXNPFEDSA-N 463.372 4.183 50 10 JIGE CC[C@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1 10295732 XNBKETLXXNQPMS-KRWDZBQOSA-N 496.633 4.332 50 10 JIGE COc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccc(Br)cc2)cc1OC 28284666 URGABYDQMXQLFU-AFUMVMLFSA-N 482.334 4.483 50 10 JIGE COc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)NCc3ccco3)N(c3ccccc3)C2=O)cc1 33558742 HPDIOSJTTAZCTI-SCIJIFGBSA-N 459.527 4.031 50 10 JIGE CCOC(=O)COc1ccc(/C=C(\C#N)c2nc(O)c3cc(Br)ccc3n2)cc1OC 35519896 CPXDREKHKHKYMM-RIYZIHGNSA-N 484.306 4.113 50 10 JIGE CCCc1ccc(OCC(=O)Oc2cccc(/C=C(\C#N)C(=O)OC)c2)c(Br)c1 40944689 JWFGYLYOSWEKGM-LICLKQGHSA-N 458.308 4.466 50 10 JIGE COc1cc(/C=C(/C#N)C(=O)N2CCOCC2)ccc1OC(=O)/C=C/c1ccc(C(C)C)cc1 207180622 RSVHXFJPPHGPCU-HPXFOYDRSA-N 460.530 4.203 50 10 JIGE CC(CC(=O)Nc1ccc(Br)cc1)=NNC(=O)c1ccccc1Br 254439087 LBPBYHZCHPKSJO-UHFFFAOYSA-N 453.134 4.346 50 10 JIGE COc1cc(C=NNC(=O)COc2ccc(C)c(C)c2)ccc1OC(=O)c1cccc(F)c1 254708184 ZQMPTBUQEHAXDL-UHFFFAOYSA-N 450.466 4.199 50 10 JIGE NNC(=O)CN1C(=O)COc2ccc(-c3cc(-c4ccccc4)cc(-c4ccc(Cl)cc4)n3)cc21 725328660 ZXAOZUFLIIPVIK-UHFFFAOYSA-N 484.943 4.451 50 10 JIGE N#CCCn1cc(/C=C(\C#N)C(=O)OCC(=O)NC2CCCCCC2)c(-c2ccc(Cl)cc2)n1 782092553 GTVQUJWUSWBEFR-XMHGGMMESA-N 479.968 4.406 50 10 JIGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1 1310189480 OJOJOVSGZCLUQO-QGZVFWFLSA-N 458.474 4.173 50 10 JIGE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OC(=O)c2ccccc2)c(OC)c1 1865705494 WZSCLGCYTUYHNM-GOSISDBHSA-N 484.434 4.368 50 10 JIGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@H](c2cc(OC)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865714280 GBCOJYIXXUIRJH-HSZRJFAPSA-N 496.523 4.489 50 10 JIGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCc2ccccc2F)cc1 1866595900 QDHIMTPIXLPCAC-QHCPKHFHSA-N 463.534 4.403 50 10 JIGE CN(Cc1ccc(I)c(Br)c1)C1(CBr)CC1 1904328673 WDRAXQNSUDYJTE-UHFFFAOYSA-N 458.963 4.413 50 10 JIGE O=S(=O)(c1cc(CBr)ccc1Br)N(Cc1ccccc1)[C@H]1CCOC1 2059312843 QBQOZVFCMYKNQQ-INIZCTEOSA-N 489.229 4.324 50 10 JIGE COCCN1C[C@H](Br)[C@H](Cc2cccc(Br)c2Br)C1 2100730614 LLZPANCDOITXDS-YPMHNXCESA-N 456.016 4.096 50 10 JIGE CC1(C)[C@H](Br)CC[C@H]1NS(=O)(=O)c1cc(Cl)c(Br)s1 2142124203 VYPRPMNRKUDWSR-HTQZYQBOSA-N 451.633 4.394 50 10 JIGE C[C@@H](Br)C[C@H]1COCCN1C(=O)c1cc(Br)ccc1Br 2185319786 SGSCKZMWLOOYAE-KOLCDFICSA-N 469.999 4.226 50 10 JIGE CC(C)(C)OC(=O)N1CC[C@H](C(F)(F)F)N(CCCCCI)CC1 2214712180 VDNNJMOLZZRJNY-CYBMUJFWSA-N 464.310 4.465 50 10 JIGE CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)NCCCOC(C)C)cc1 2296846560 XISXBCPOZNZECD-UHFFFAOYSA-N 474.561 4.196 50 10 JIGE O=C(N[C@H]1C[C@@H](CBr)[C@H]2C[C@@H]12)c1cc(Br)sc1Br 2309231103 XRPBXKPBHAJKON-SZACMFPPSA-N 458.013 4.422 50 10 JIGE C=CCOc1ccc(C=C2C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1OCC 2314617302 VQVKAUUXPCPHAP-UHFFFAOYSA-N 458.514 4.451 50 10 JIGE CCN(C[C@@](C)(CI)OCC12CC(C[C@H](C)O1)C2)C(=O)OC(C)(C)C 2319566317 ZVASSIMDJOMIQX-MZMPVIPJSA-N 467.388 4.411 50 10 JIGE O=C(NN=Cc1cc(Cl)c(O)c(Cl)c1)c1cccn(Cc2ccc(Cl)cc2)c1=O 2323648523 NGHJQLFWXZOVGX-UHFFFAOYSA-N 450.709 4.326 50 10 JIGE COc1ccc(CCCCO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2I)cc1 2344004548 VRXADNKYAHUMOW-ZWKOTPCHSA-N 475.367 4.457 50 10 JIGE CCOC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccccc2CC)=C(C#N)[C@H]1c1ccccc1Cl 9980870 NDZKQRONBNXMPU-FGZHOGPDSA-N 498.004 4.402 50 10 JIGE COc1ccc(/C=C(\C#N)C(=O)n2c(=O)c(-c3nnc4n3CCCCC4)cc3ccccc32)cc1 13305570 LYZIJQZBLVPPQC-HMMYKYKNSA-N 465.513 4.242 50 10 JIGE O=C(NC(=S)NNC(=O)c1sc2ccccc2c1Cl)c1ccc(Cl)c([N+](=O)[O-])c1 13976675 VHZUBAWESDAHTQ-UHFFFAOYSA-N 469.331 4.066 50 10 JIGE CC(C)COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)Cc1ccc(Cl)cc1 14667392 YQVRKQVFNBGCGA-UHFFFAOYSA-N 498.830 4.016 50 10 JIGE CCOc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1Br 14770498 GGOYLTKSGIGRRH-AWEZNQCLSA-N 457.324 4.230 50 10 JIGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)N2CCOCC2)c1 35446826 UGQVLKVUTBBZLL-OQKWZONESA-N 456.546 4.484 50 10 JIGE CCCN1C(=O)/C(=N/NC(=O)CCCOc2ccc(Cl)cc2Cl)c2cc(OC)ccc21 38180329 DAHBXXZBTYRTIU-YYADALCUSA-N 464.349 4.438 50 10 JIGE COc1cc(/C=C(\C#N)C(=O)NC(C)C)ccc1OC(=O)COc1cc(C)c(Cl)c(C)c1 40878088 YCDGGDZEEDBHTN-VCHYOVAHSA-N 456.926 4.381 50 10 JIGE O=C(O)[C@H](C/C(=N\O)c1ccc(Br)cc1)P(=O)(c1ccccc1)c1ccccc1 100555107 SKBZEYHSERXYRB-VLBGROSNSA-N 472.275 4.485 50 10 JIGE C/C(CC(=O)Nc1ccc([N+](=O)[O-])cc1)=N\NC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1 105654221 QAXADMXMGIQETI-RCCHARBYSA-N 456.502 4.422 50 10 JIGE CN1C(=C(C#N)C(=O)CCC(=O)N(C)[C@@H](c2ccccc2)c2ccccn2)N(C)c2ccccc21 108865053 XNUQMKFAYWERSK-MHZLTWQESA-N 465.557 4.300 50 10 JIGE CC1(C)CN(C(=O)c2cc(Br)sc2Br)C[C@H](CBr)O1 232793155 MQGPXPLRUTXXQV-ZETCQYMHSA-N 476.028 4.288 50 10 JIGE C[C@@H](Br)CCN(C)C(=O)c1cc(I)ccc1Br 235163349 WPLMHWRLVSBMMJ-MRVPVSSYSA-N 474.962 4.299 50 10 JIGE CC(=NNC(=O)[C@@]1(C)CC1(Br)Br)c1cccc(NC(=O)C2CCC2)c1 252621100 MSUYICCOBYEYGQ-QGZVFWFLSA-N 471.193 4.162 50 10 JIGE CC(=NNC(=O)c1ccc(Cn2cc(Br)cn2)o1)c1cccc(NC(=O)C(C)C)c1 252629879 UPJGSPDFPZTKIV-UHFFFAOYSA-N 472.343 4.035 50 10 JIGE O=C(NN=Cc1cccc([N+](=O)[O-])c1)c1cc(-c2ccc(OCCc3ccccc3)cc2)n[nH]1 254871163 PCNJGGRKDKGMQN-UHFFFAOYSA-N 455.474 4.370 50 10 JIGE CC[C@H](Br)[C@H](CC)NS(=O)(=O)c1cc(Br)ccc1Br 313074953 ASHBZXRMGQUZPT-ONGXEEELSA-N 478.044 4.442 50 10 JIGE Cc1ccc(O)c([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)c1 382695349 QLKPCOQZOGCAQG-AEFFLSMTSA-N 451.304 4.488 50 10 JIGE CCCS(=O)(=O)CCOc1c(Br)cc(Br)cc1CBr 388934127 AEJMRTHZUIHBNV-UHFFFAOYSA-N 479.028 4.310 50 10 JIGE Cc1cc(O)nc(COc2c(Br)cc(Br)cc2CBr)n1 700446626 IRIXLNYCIGUAFR-UHFFFAOYSA-N 466.955 4.490 50 10 JIGE CN([C@H]1CCC[C@@H]1Br)S(=O)(=O)c1cc(Br)ccc1Br 709123475 CPTOVCDVEMRWQB-ONGXEEELSA-N 476.028 4.148 50 10 JIGE BrCc1nnc(-c2ccc(I)c(Br)c2)s1 721329483 ZLQYYBAKCXHJBF-UHFFFAOYSA-N 459.932 4.467 50 10 JIGE CCNC(=O)c1ccc(CNC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)cc1 916052718 HMPXJBYXDDSEJJ-KGENOOAVSA-N 486.963 4.090 50 10 JIGE Cc1ccccc1N(CC(=O)NN=Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1 1084295477 OFMOAEVILWHPEM-UHFFFAOYSA-N 486.391 4.103 50 10 JIGE C/C(=C/C(=O)NNc1ccc(S(=O)(=O)C(F)(F)F)cc1)c1ccccc1OC(F)F 1596866854 OMAAHNLJOSQCGB-KHPPLWFESA-N 450.385 4.128 50 10 JIGE O=C(OCc1ccccc1)N1C[C@H](c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H](CBr)C1 1614700670 BOQJJVHMCRAGHQ-YOEHRIQHSA-N 464.272 4.250 50 10 JIGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Br)cc2)c1 1865692334 LIVUCUYIYMXYSE-HXUWFJFHSA-N 467.323 4.179 50 10 JIGE COc1ccc(-c2ccc(C(=O)NNC(=O)[C@H](C)Oc3ccc(C(C)C)cc3)c(C)n2)cc1OC 1865759194 MZBPGAJTUNUHCH-SFHVURJKSA-N 477.561 4.426 50 10 JIGE C[C@@H](NC(=O)c1cc(C2CC2)n2nc(C(C)(C)C)cc2n1)C(=O)Nc1ccc(SC#N)cc1 1867181570 KJTSLIRVGVJSLX-CQSZACIVSA-N 462.579 4.234 50 10 JIGE COC(=O)c1ccccc1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)CC1=O 1872752545 INQKDVIJSGIXCF-JRCVOMKHSA-N 489.509 4.171 50 10 JIGE C[C@@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)s1 1914635619 ZPDQYFLWYCQLNH-LLVKDONJSA-N 453.221 4.485 50 10 JIGE C[C@@H](CCBr)N(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)OCCCO2 1915108625 ASQIMRJHXAHPSG-INIZCTEOSA-N 454.386 4.212 50 10 JIGE O=C(CBr)c1cc(I)c(Cl)c(I)c1 2060093384 VKYBCOWGNVVFKM-UHFFFAOYSA-N 485.284 4.127 50 10 JIGE C=CC[C@H](CBr)CNC(=O)c1ccc(Br)cc1I 2086147941 URNMOOTZXATYDE-SECBINFHSA-N 486.973 4.371 50 10 JIGE C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)N(S(=O)(=O)c2csc(CBr)c2)C1 2123236961 LHLXUVDRCMSAQJ-HZPDHXFCSA-N 457.459 4.174 50 10 JIGE O=C(NC[C@]1(CBr)CC12CCC2)c1cc(I)ccc1F 2169663750 JKZIOUNKJZNJMJ-OAHLLOKOSA-N 452.105 4.115 50 10 JIGE C[C@@H](CBr)CC1CN(S(=O)(=O)c2cc(Cl)c(Br)s2)C1 2230652799 IKFYXMSSJSIKHJ-SSDOTTSWSA-N 451.633 4.206 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OCc2ccc3c(c2)OCO3)C1 2272070008 VHDRUQJUJLSLSJ-LJQANCHMSA-N 475.323 4.137 50 10 JIGE COCCN(C[C@H](C)Br)C(=O)c1cc(Br)ccc1Br 2272436644 CKDBQXKKHCPXPX-VIFPVBQESA-N 457.988 4.084 50 10 JIGE C[C@H](Br)COCc1cn(-c2ccc(Br)c(Br)c2)nn1 2278383393 CDSGVTPHMSURIX-QMMMGPOBSA-N 453.960 4.092 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N[C@H]1C[C@H]2C[C@H]1C[C@@H]2Br 2295309614 LKOHEMFULHBEBX-OAACRXHESA-N 466.011 4.432 50 10 JIGE C[C@@H]1CCC[C@H](COC2(CI)CCN(C(=O)OC(C)(C)C)CC2)O1 2301041010 FAGYRWUSUFKSBR-HUUCEWRRSA-N 453.361 4.165 50 10 JIGE CCN(CC)c1ccc(C=C2C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1 2314616904 MOIOZILXWTUYHP-UHFFFAOYSA-N 473.573 4.385 50 10 JIGE CCOc1cc(C=NNC(=O)c2cccn(Cc3ccccc3)c2=O)cc(Cl)c1OCC 2323640935 DVWBFKNEQWDUOB-UHFFFAOYSA-N 453.926 4.111 50 10 JIGE Cc1ccccc1CCNC=C(C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324609772 DNOOIEZRMZNNRZ-UHFFFAOYSA-N 464.613 4.468 50 10 JIGE CCOc1ccc(NC(=O)CCC(=O)NNC(=O)c2ccc(C(C)(C)C)c(Br)c2)cc1 12492726 CXFMRMJGMQTMIS-UHFFFAOYSA-N 490.398 4.325 50 10 JIGE N#C/C(C(N)=O)=C1\S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccc(Br)cc1 33389425 PSUIVYJVPOTSTN-NISQSXRWSA-N 462.756 4.014 50 10 JIGE Cc1c(C(=O)Nc2ccccc2)oc2c1/C(=N/NC(=O)c1cncc(Br)c1)CCC2 40823070 VASDWDLEVOHJPY-YZSQISJMSA-N 467.323 4.468 50 10 JIGE O=C1OC(=O)c2ccccc2/C1=C/Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1 102919099 PFQLNVQEIDUDHR-MOSHPQCFSA-N 454.891 4.291 50 10 JIGE COc1ccccc1/C=C\C(=O)Oc1ccc(/C=C(/C#N)C(=O)NCc2ccco2)cc1OC 206521073 XTQHUOKLMYFZQZ-UIXWNZFTSA-N 458.470 4.139 50 10 JIGE C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)NN=Cc1c[nH]c2ccccc12 252610587 ICYBYQPORIBAEU-UHFFFAOYSA-N 480.981 4.420 50 10 JIGE O=C(NN=C1C(=O)N(CN(Cc2ccccc2)Cc2ccccc2)c2ccccc21)c1ccco1 254565480 FDKPONDGGIQBBF-UHFFFAOYSA-N 464.525 4.420 50 10 JIGE CO[C@]1(CBr)CCCN(C(=O)c2ccc(Br)cc2Br)C1 401778957 ALAZKLCIHVAODW-AWEZNQCLSA-N 469.999 4.228 50 10 JIGE O=C(CCl)c1cc(I)c(Br)cc1I 575687121 SHHHNOOHJZINGT-UHFFFAOYSA-N 485.284 4.080 50 10 JIGE O=C(O)COc1c(Br)cc(C=NNC(=O)c2cc3ccccc3o2)cc1Br 1084161772 MUFRPOPGCYEBCJ-UHFFFAOYSA-N 496.111 4.185 50 10 JIGE CC(=NNC(=O)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1)c1ccc([N+](=O)[O-])cc1 1084272635 UPYWWEOFPOGLGC-UHFFFAOYSA-N 471.561 4.067 50 10 JIGE C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)NNc1ccc(Br)cc1C(F)(F)F 1628118864 OBMJQICCALTYJC-LLVKDONJSA-N 454.246 4.426 50 10 JIGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865714826 RBFIZPCDZAKWRG-IBGZPJMESA-N 451.870 4.310 50 10 JIGE CSCC[C@H](NC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C)C(=O)Nc1ccc(SC#N)cc1 1867206235 QVBAUAKWDBERFX-IBGZPJMESA-N 482.631 4.004 50 10 JIGE O=C(CCc1nc2ccccc2[nH]c1=O)N/N=C/c1cccc(OCc2ccccc2Cl)c1 1873496444 RQURPMBRIPNZCS-JFLMPSFJSA-N 460.921 4.238 50 10 JIGE O=C(N[C@H](CBr)C[C@H]1CCOC1)c1scc(Br)c1Br 1883262951 AYKLDGCOWQTZIY-SFYZADRCSA-N 476.028 4.193 50 10 JIGE C[C@@](CBr)(NC(=O)c1csc(Br)c1Br)C(F)F 1998358417 XSKKLRVYBHWLRY-VIFPVBQESA-N 455.944 4.422 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@H]2CC[C@@]1(CBr)C2 2089730125 JUMAKBYPJQXBES-XPTSAGLGSA-N 498.984 4.443 50 10 JIGE CCN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(CBr)sc1C 2123242464 WYUWUSIEBMYCJT-QGZVFWFLSA-N 457.459 4.237 50 10 JIGE O=C(c1csc(Br)c1Br)N1CC[C@H](OCCCBr)C1 2142053961 WLHFVOPZBFEGFG-QMMMGPOBSA-N 476.028 4.289 50 10 JIGE CCCN1CC[C@@H]([C@@H](Cl)c2cc(I)ccc2Br)S1(=O)=O 2145769906 KOCDXTMRVBTVHW-STQMWFEESA-N 492.604 4.148 50 10 JIGE O=C(c1cc(I)ccc1F)N1CC[C@]2(CCC[C@H]2Br)C1 2169667091 YBQBIHKWTVYFDI-UKRRQHHQSA-N 452.105 4.210 50 10 JIGE CC1(C)CCCN(C(=O)Cc2ccccc2I)[C@@H]1CBr 2185817133 RFFRFDQVHWQRQC-CQSZACIVSA-N 450.158 4.246 50 10 JIGE CN([C@@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@@H]21)S(=O)(=O)[C@@H]1CC[C@@H](CBr)C1 2190549440 YPHYMFOIYALFIP-LJGAWZCMSA-N 456.446 4.196 50 10 JIGE COc1cc(Cl)c([C@H](Br)c2cnn(C)c2I)c(OC)c1 2294909874 YXDJOSBWTBWXMJ-GFCCVEGCSA-N 471.520 4.180 50 10 JIGE N#CC(=CNc1ccc(S(=O)(=O)NC(=N)N)cc1)c1nc(-c2ccc3ccccc3c2)cs1 2296038097 SRKKTXVAYYWEJR-UHFFFAOYSA-N 474.571 4.112 50 10 JIGE O=C(N[C@H]1C[C@@H](CBr)[C@H]2C[C@@H]12)c1csc(Br)c1Br 2309223307 DONXIIGREFXKJP-SZACMFPPSA-N 458.013 4.422 50 10 JIGE O=C(C=Cc1ccc(Cl)cc1)NC(=S)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 2313864659 YIIMORADWCUGES-UHFFFAOYSA-N 485.009 4.208 50 10 JIGE O=C(c1cc(Br)ccc1I)N1[C@H]2CC[C@@H]1[C@@H](CBr)C2 2329071291 LSLYIIVJAXEQQQ-DFAYQTQMSA-N 498.984 4.442 50 10 JIGE O=C(c1csc(I)c1)N1CC[C@@H](Br)C[C@H]1C(F)(F)F 2336323246 AXODKNZJMHVPBH-SFYZADRCSA-N 468.076 4.283 50 10 JIGE CC(C)(CBr)c1cn(Cc2ccc(I)c(Br)c2)nn1 2349920252 GXQMUJGMUHQBKM-UHFFFAOYSA-N 498.988 4.366 50 10 JIGE CCCN1CC[C@@H]([C@@H](Br)c2ccc(Cl)cc2I)S1(=O)=O 2365558921 NVJWARFFZSFVPB-STQMWFEESA-N 492.604 4.195 50 10 JIGE C/C(N)=C(/C#N)C(=O)COC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 8825383 ITSNLPONUJJUHN-SDNWHVSQSA-N 465.409 4.247 50 10 JIGE O=C(/C=C/c1ccccc1Cl)NC(=S)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 13981416 BXUKVACXQGASOM-NTCAYCPXSA-N 485.009 4.208 50 10 JIGE Cc1ccc(NC(=O)CCC(=O)NNC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)c(C)c1 14038604 XPSOOZBHIHGTHG-HXUWFJFHSA-N 459.546 4.304 50 10 JIGE CCCOc1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2C)cc1Br 14647298 NLRGXRZTOCIQTA-UHFFFAOYSA-N 455.736 4.040 50 10 JIGE Cc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)cc1 38649216 IZPUIJNSSWXCPE-XMMPIXPASA-N 457.442 4.106 50 10 JIGE Cc1ccc(Sc2ncnc(NNC(=O)COc3ccc(Cl)cc3Cl)c2N)cc1 40783394 ICPRQEJQCWOCFY-UHFFFAOYSA-N 450.351 4.347 50 10 JIGE Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)CSc3ccccc3C)cc2)cc1 59156865 PPGFTHHONJKEKF-BUVRLJJBSA-N 454.573 4.314 50 10 JIGE Cc1cccc(O[C@@H](C)C(=O)NNC(=O)CCc2nc3ccccc3n2-c2ccccc2)c1C 72110741 RGWGTTOGKBYAOW-FQEVSTJZSA-N 456.546 4.190 50 10 JIGE N#C/C(C(=O)NCCc1ccccc1)=C1\N=C(NC(=O)c2ccccc2Cl)c2ccccc21 102590002 HRNGBGVZCNOMAX-XTQSDGFTSA-N 454.917 4.124 50 10 JIGE CCCOc1ccc(/C=N\NC(=O)c2cccn(Cc3ccc(Cl)cc3)c2=O)cc1OC 169920283 QNSPSQHSNKCAIK-YSMPRRRNSA-N 453.926 4.111 50 10 JIGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc(OC)cc3)cc2)cc1 254364323 MHDIDURTEUSJIY-UHFFFAOYSA-N 462.502 4.232 50 10 JIGE CC[C@H](Nc1ccc(I)cc1)C(=O)NN=Cc1ccc(N(CC)CC)cc1 254900758 CWMOHNDVCFXTOG-FQEVSTJZSA-N 478.378 4.478 50 10 JIGE CC(C)(C)OC(=O)CC[C@@H]1C(=O)OC(=O)N1C(=O)OCC1c2ccccc2-c2ccccc21 381063648 LZHSBNWTERFJGF-HXUWFJFHSA-N 451.475 4.405 50 10 JIGE Cn1ncc([C@H](Br)c2ccc(F)c(Br)c2)c1I 383233924 BUZWMFGITABTNC-SNVBAGLBSA-N 473.909 4.411 50 10 JIGE C[C@H]1CC[C@H](Br)CN1S(=O)(=O)c1cc(Br)ccc1Br 399370781 SANIQKKXNOYSLP-WPRPVWTQSA-N 476.028 4.148 50 10 JIGE Cn1cncc1CC(CBr)(CBr)c1ccc(Br)cc1 401888306 VOUDRHCIROELTR-UHFFFAOYSA-N 451.000 4.453 50 10 JIGE CC1(C)CN(Cc2cc(Cl)ccc2I)C[C@@H](CBr)O1 405198742 DMIVCAGUVABPHB-GFCCVEGCSA-N 458.565 4.319 50 10 JIGE N#CCCn1cc(/C=C(\C#N)C(=O)OC[C@@H](C#N)Cc2ccc(F)cc2)c(-c2ccccc2)n1 920876198 FSLQDZQHCJBITR-YRXLECQKSA-N 453.477 4.436 50 10 JIGE CCOc1cc(/C=C(\C#N)C(=O)N(C)C)ccc1OCc1ccc(I)cc1 1084378528 BHKRSONLPVRNCD-GZTJUZNOSA-N 476.314 4.264 50 10 JIGE CCOc1ccc(C(=O)NNC(=O)c2c[nH]c3cc(Br)c(Br)cc23)cc1 1087881075 COVQRPVQXYBSKA-UHFFFAOYSA-N 481.144 4.166 50 10 JIGE COc1ccccc1C(=O)N[C@@H]1Cc2ccccc2C1=NNC(=O)Nc1ccc(OC(F)(F)F)cc1 1088687491 XIMKDAUMTHMTFG-HXUWFJFHSA-N 498.461 4.474 50 10 JIGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2cc(Cl)ccc2OC2CCCC2)cc1 1203757505 OXYUJZNOSWRZTE-HNNXBMFYSA-N 459.930 4.484 50 10 JIGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(O)c(OC)c1)C(C#N)=C(N)O2 1865705844 HCAWQANPCMZBSD-IBGZPJMESA-N 467.323 4.130 50 10 JIGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1865712299 VCRGGDGWZXHPSL-QHCPKHFHSA-N 493.479 4.437 50 10 JIGE COc1cccc(/C=N/NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)c1OCc1ccccc1 1873795174 AKXHWXVLQIHIIG-YYHBXHNPSA-N 455.555 4.274 50 10 JIGE CN(C[C@H]1C[C@@H](Br)C1)S(=O)(=O)c1cc(CBr)sc1Br 1887880317 VXHYAYWWMFDUEX-OCAPTIKFSA-N 496.084 4.200 50 10 JIGE CC[C@@H](C)N(CCBr)c1ncc(I)cc1Br 1988539658 MJFRJSMZBPWSEX-MRVPVSSYSA-N 461.967 4.449 50 10 JIGE CS(=O)(=O)c1csc([C@@H](Br)c2ccccc2I)c1 2032176662 CNFOVDIXQYTMDM-LBPRGKRZSA-N 457.152 4.241 50 10 JIGE CCOc1c(I)cc(OC(F)(F)F)cc1C(=O)CBr 2055052526 UGRCXYRWNVACEV-UHFFFAOYSA-N 452.992 4.166 50 10 JIGE Cc1cc(Br)ccc1S(=O)(=O)N(C)C[C@@H](Br)COCc1ccccc1 2085729801 FAUSBGOIWVFFPN-QGZVFWFLSA-N 491.245 4.358 50 10 JIGE CC1CC(CBr)(N(C)S(=O)(=O)c2cc(Br)ccc2Br)C1 2164569814 BOBSJKIEGMCUMK-UHFFFAOYSA-N 490.055 4.396 50 10 JIGE CC(C)(C)OC(=O)N1C[C@H](CNC(=O)[C@H](Br)C2CCCC2)[C@@H](C(F)(F)F)C1 2167035281 XIPIFMRUXCYBHN-MELADBBJSA-N 457.331 4.102 50 10 JIGE C[C@H](c1cscn1)N(C)S(=O)(=O)c1cc(CBr)sc1Br 2179791121 MZYPWBBBSKHHIY-SSDOTTSWSA-N 460.238 4.244 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N[C@H](CBr)C1CCC1 2277935231 NSEBVXCOPDXNJX-CYBMUJFWSA-N 454.000 4.434 50 10 JIGE Cc1ccc(CBr)cc1NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2278706693 HUWFMNRVCFOFLJ-UHFFFAOYSA-N 479.396 4.098 50 10 JIGE C=CCOc1ccc(C=C2C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1OC 2314619960 IBSGYJXHHNBRAH-UHFFFAOYSA-N 458.514 4.104 50 10 JIGE COc1ccc(C(C#N)=Cc2ccc(OC(=O)[C@H](C)N3C(=O)c4ccccc4C3=O)c(OC)c2)cc1 2320506274 GDNINGGVTNKOJG-KRWDZBQOSA-N 482.492 4.358 50 10 JIGE Cc1c(C(=O)OCC(C)C)sc2ncn(CC(=O)C(C#N)=C3Nc4ccccc4S3)c(=O)c12 2320729584 XRMZZWYLTSMWIQ-UHFFFAOYSA-N 480.571 4.101 50 10 JIGE O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)NN=Cc1ccc(Br)cc1F 2325903899 DSTFFFKRLYZGQD-UHFFFAOYSA-N 485.338 4.177 50 10 JIGE C=CC[C@H](Cl)[C@H]1CCN1C(=O)c1cc(Br)ccc1I 2335802488 CVJOMWHAILHGNO-WCQYABFASA-N 454.533 4.452 50 10 JIGE Clc1cc(CN(CCBr)C2CCOCC2)ccc1I 2353631325 AFADMMPXXLALIC-UHFFFAOYSA-N 458.565 4.321 50 10 JIGE O=C(/C=C/c1ccc(Cl)cc1)NNC(=O)COc1ccc2ccccc2c1Br 14833642 ZBAFTMISVGBKEH-KPKJPENVSA-N 459.727 4.495 50 10 JIGE N#C/C(=C/c1c(Oc2ccc(Cl)cc2)nc2ccccn2c1=O)S(=O)(=O)c1ccccc1 33736499 NFVAHYHOTQIFEF-RGEXLXHISA-N 463.902 4.479 50 10 JIGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)c1 38684903 UNBBEFRVIPTCEG-VWLOTQADSA-N 487.468 4.196 50 10 JIGE Cc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)NNC(=O)c3ccccc3Cl)c(C)c21 101594002 VSXFUTBTMNJFGH-ZXVVBBHZSA-N 478.936 4.095 50 10 JIGE O=S(=O)(c1cc(Cl)c(Br)s1)N(CCBr)C1CCCC1 124992646 DEBBMIDDBOMIHX-UHFFFAOYSA-N 451.633 4.492 50 10 JIGE CCCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)COc2ccc(CCC)cc2)c(OC)c1 207136039 ZYLJNCSKBQOWML-QNGOZBTKSA-N 450.535 4.455 50 10 JIGE COc1ccc(OC)c(N/C=C(/C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 216492341 ABGKBYBHRXTEAW-FLFQWRMESA-N 482.584 4.457 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N[C@@H](C)C[C@@H](C)Br)cc1Br 228247293 QVTPJTQGNXWSAD-BDAKNGLRSA-N 478.044 4.360 50 10 JIGE COc1ccc(/C=C\C(=O)Oc2ccc(C=NNC(=O)COc3cccc(C)c3C)cc2)cc1 254601650 RUEGFGDXKFINAI-CUUCMAFOSA-N 458.514 4.460 50 10 JIGE CN1C[C@H](c2cc(Br)cc(Br)c2)[C@@H](CI)C1 382739787 YXFVOMJITYRTDH-JOYOIKCWSA-N 458.963 4.292 50 10 JIGE C[C@@H](NC(=O)c1cc(Br)ccc1I)C1(CBr)CC1 696075299 CCJUZYUOPMEZMH-MRVPVSSYSA-N 486.973 4.347 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CCC(Br)CC1 721590925 BCFRIJUOJXTJKL-UHFFFAOYSA-N 472.946 4.053 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CCC[C@H]1CCBr 721615554 RSZTYXACNFBEEH-JTQLQIEISA-N 486.973 4.443 50 10 JIGE C[C@@H]1C[C@@H](C)CN(C(=O)COC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)C1 782094414 GIWOIKBOFLJJFA-QHWPSJKRSA-N 479.968 4.072 50 10 JIGE CC(CC(=O)Nc1ccc([N+](=O)[O-])cc1)=NNC(=O)[C@H]1CC1(c1ccccc1)c1ccccc1 1084114621 QAXADMXMGIQETI-HSZRJFAPSA-N 456.502 4.422 50 10 JIGE C=CC(=O)Nc1cc(NC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)ccc1F 1545272933 VEIXKYVOBSZBJC-QGOAFFKASA-N 454.465 4.273 50 10 JIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2)cc(Cl)c1O 1865706757 DVWBWFZADFLLET-OAHLLOKOSA-N 462.815 4.477 50 10 JIGE CC(C)(C)OCCCOC1(CI)CCN(C(=O)OC(C)(C)C)CC1 2010930748 VYDJSJVQDKKNKB-UHFFFAOYSA-N 455.377 4.413 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CCCC[C@H](Br)C1 2050114631 CWZXSYAYDJZHME-JTQLQIEISA-N 486.973 4.443 50 10 JIGE Cc1c(Br)cc(CBr)cc1S(=O)(=O)N(C)CCOCc1ccccc1 2059289622 SIHGCBISWNTLIH-UHFFFAOYSA-N 491.245 4.490 50 10 JIGE O=C(CBr)c1cc(I)c(OC(F)F)cc1C(F)(F)F 2060376542 KFTZUQAHJZJMRH-UHFFFAOYSA-N 458.946 4.489 50 10 JIGE Cn1nnc(Br)c1C[C@@H](CBr)Cc1ccc(Br)cc1 2089734248 GENUYVYTKMNNBT-JTQLQIEISA-N 451.988 4.136 50 10 JIGE ClCc1nc2ncccc2n1-c1cc(I)cc(I)c1 2119391349 SUATWIVOKLWLTN-UHFFFAOYSA-N 495.489 4.369 50 10 JIGE COc1cc(Br)c([C@@H](Br)c2nn(C)nc2Br)cc1C 2227724013 KTCOIGJGEGSKFC-SNVBAGLBSA-N 453.960 4.141 50 10 JIGE CC(C)c1cc(Br)cc(C(=O)NCCOCCCI)c1 2280721312 ZGROMYWVDZQGJP-UHFFFAOYSA-N 454.146 4.144 50 10 JIGE O=C(N[C@H]1C[C@@H](CBr)[C@H]2C[C@@H]12)c1csc(Br)c1Br 2309229998 DONXIIGREFXKJP-SZACMFPPSA-N 458.013 4.422 50 10 JIGE CN(C)c1ccc([C@H](NC(=O)C(C#N)=Cc2ccc(Br)cc2)c2nccn2C)cc1 2329660068 XSWFLNVGUCKXAM-NRFANRHFSA-N 464.367 4.061 50 10 JIGE O=S(=O)(N[C@@H](CCBr)COCc1ccccc1)c1ccccc1C(F)(F)F 2369476241 HUPAKKDHIPQHMH-HNNXBMFYSA-N 466.319 4.354 50 10 JIGE COc1ccc(C(=O)Nc2cccc(C(=O)N/N=C/c3ccccc3Br)c2)cc1 3083781 UZADBYKMXQIYLY-ZVHZXABRSA-N 452.308 4.474 50 10 JIGE COc1ccc(C(=O)NNC(=O)c2ccc(OCc3ccccc3)cc2)cc1Br 10105811 ANKYIHTVRPPPSS-UHFFFAOYSA-N 455.308 4.112 50 10 JIGE Cc1cc(OCC(=O)NNC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)ccc1Cl 13979783 MDRJUVPDRRRBPH-UHFFFAOYSA-N 453.951 4.030 50 10 JIGE C[C@@H](Oc1ccccc1)C(=O)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 14004751 AITAMWASRCTEHB-GOSISDBHSA-N 459.546 4.465 50 10 JIGE Cc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 58890499 FDEDQEXCNSGIQX-DHNPSKQRSA-N 453.926 4.410 50 10 JIGE Cc1cc(/C=N/NC(=O)Nc2cccc(Br)c2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 59302524 ZCOQVMDTMKVWHX-BHGWPJFGSA-N 499.321 4.409 50 10 JIGE CC(=C\c1ccccc1)/C=C(/NC(=O)c1ccccc1)C(=O)NN=Cc1ccc2c(c1)OCO2 252626155 QXQXBDNAEQKYTE-TVINXZSZSA-N 453.498 4.283 50 10 JIGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3cccc([N+](=O)[O-])c3)cc2OC)cc1 254297326 OJRLXFXHFDMDSE-UHFFFAOYSA-N 477.473 4.375 50 10 JIGE CCN(C[C@](C)(CI)OCCOCC1CCC1)C(=O)OC(C)(C)C 400640366 AGKOJZFXXBFMQR-SFHVURJKSA-N 455.377 4.270 50 10 JIGE O=C(NCCCc1nc2c(s1)CCCC2)NNC(=O)c1ccccc1OCc1ccc(F)cc1 727230597 KTKPPRDUHZZOBL-UHFFFAOYSA-N 482.581 4.317 50 10 JIGE CN(Cc1ccccc1)C(=O)N1CCC(C(=O)NNC(=O)c2ccc(-c3ccc(F)cc3)s2)CC1 727366615 NOKUETCNGNTNMA-UHFFFAOYSA-N 494.592 4.279 50 10 JIGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)c1O 1865684756 XLHDKWLEFJNRGO-INIZCTEOSA-N 460.387 4.022 50 10 JIGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)c(OC)c1 1865708375 VOJRPMSRZRZFKB-SFHVURJKSA-N 474.414 4.325 50 10 JIGE CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865715046 UIRNYCIVHJVWMJ-IBGZPJMESA-N 451.870 4.310 50 10 JIGE O=C(c1cc(Br)c(Cl)s1)N1C[C@@H](Br)[C@H](Br)C1 1897060119 DYTMCUSXAMRVDZ-PHDIDXHHSA-N 452.393 4.147 50 10 JIGE C[Si](C)(CCCOC[C@H]1CO1)O[Si@](C)(O[Si](C)(C)CCCOC[C@@H]1CO1)c1ccccc1 1933213625 GVYJNBPRFDRDPE-WQVNMMKRSA-N 498.841 4.020 50 10 JIGE Cn1cc([C@H](Br)c2cc(Br)c3c(c2)CCO3)nc1Br 2090465691 YOAJNCNWIXAWBC-LLVKDONJSA-N 450.956 4.364 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@@H](Cl)CC12CCC2 2099383671 RJAYHKUNRKYTSB-JTQLQIEISA-N 454.533 4.430 50 10 JIGE O=C(c1ccc(Br)cc1Br)N1C[C@@H]2CC[C@H](C1)C2Br 2111473317 HGOKDCVFZJKPAM-PHXKMMTBSA-N 451.984 4.457 50 10 JIGE COCCN(C)C[C@@H](Br)CCc1cc(Br)ccc1Br 2118524701 LZYQHPKGNHRABA-ZDUSSCGKSA-N 458.032 4.486 50 10 JIGE Cc1sc(CBr)cc1S(=O)(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1 2123228186 AUGPKDVRANQIDG-HNNXBMFYSA-N 457.459 4.094 50 10 JIGE CN1CCC(N(Cc2ccccc2)S(=O)(=O)c2ccc(Br)c(CCl)c2)CC1 2152213544 REQRTDQFNASBBY-UHFFFAOYSA-N 471.848 4.473 50 10 JIGE O=S1(=O)CC[C@@H](C(CBr)(CBr)Cc2snc(Cl)c2Cl)C1 2167232538 XGFISZWMDKPNDF-SSDOTTSWSA-N 486.078 4.203 50 10 JIGE Clc1cc(CN2CCO[C@@H]3C[C@H](CBr)C[C@@H]32)ccc1I 2208030278 RDEISUQJAKKKGB-BYCMXARLSA-N 470.576 4.319 50 10 JIGE C[C@H](CBr)CC1CN(c2ncc(I)cc2Br)C1 2216686455 KAZDZVWGOIWHNF-QMMMGPOBSA-N 473.978 4.306 50 10 JIGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1CO[C@@H]2COC[C@@H]21 2225616989 LCJQVKIVAUDQNL-RRGXMBOYSA-N 458.947 4.448 50 10 JIGE Cn1ncc([C@@H](Br)c2ccc([C@@H]3CCOC3)s2)c1I 2231746642 QKBVSPHZVWKASR-PRHODGIISA-N 453.143 4.074 50 10 JIGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC(NC(=O)c2ccc(CCl)cc2)C1 2259425193 YJCMOWVMNHDDJO-UHFFFAOYSA-N 467.994 4.012 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1C[C@H]2[C@@H](Br)CC[C@H]2C1 2268351373 WOFOMGAYVGEKTQ-AXFHLTTASA-N 454.533 4.190 50 10 JIGE O=C(C=Cc1ccco1)Oc1cc(Br)cc(C=NNC(=O)c2ccccc2O)c1 2297708427 GUJZNUYORLJTAE-UHFFFAOYSA-N 455.264 4.130 50 10 JIGE CN(C)C(=O)C(C#N)=Cc1cc(Cl)c(OCc2ccc3c(c2)OCO3)c(Br)c1 2313568330 UTKNIXZGLPVLKW-UHFFFAOYSA-N 463.715 4.405 50 10 JIGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C)C(=O)C(C#N)=C2C)cc1C 2314617647 NKGIHYJWLIFRDE-UHFFFAOYSA-N 452.514 4.469 50 10 JIGE COc1cc(C=C(C#N)C(=O)NC(C)C)ccc1OC(=O)COc1ccc(C)cc1Br 2314737534 SXPNCEOLCXUYOQ-UHFFFAOYSA-N 487.350 4.182 50 10 JIGE O=C(N[C@@H]1C[C@@H]2C[C@H]1C[C@@H]2Br)c1cc(Br)ccc1I 2330904802 XRLLHQOWKWYAOJ-NIUIZCCNSA-N 498.984 4.346 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)NCCSCCCBr 2335634543 SNVWHGJUZJOORA-UHFFFAOYSA-N 474.056 4.389 50 10 JIGE C=CC[C@@H](Br)[C@@H]1CCN1C(=O)c1ccc(Cl)cc1I 2340062343 YPRUJECXHHTXOT-YPMHNXCESA-N 454.533 4.499 50 10 JIGE ClC[C@@H](Cc1cccc(Br)c1)Cc1ncc(I)cn1 2353311480 LBUUCWWYUGKQQU-NSHDSACASA-N 451.533 4.484 50 10 JIGE Cn1nc(Br)c(Br)c1C(=O)N[C@@H](CBr)C1CCCCC1 2364015152 MWISQCGUPDTTRE-VIFPVBQESA-N 472.019 4.019 50 10 JIGE COc1ccc(/C(C)=N\NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)c(O)c1 9373432 NRGHMMDJYORXNN-OYKKKHCWSA-N 473.938 4.009 50 10 JIGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)/C=C/c1ccccc1Cl 13981386 JRISZBHYTBUMEB-OALRPVAKSA-N 472.781 4.149 50 10 JIGE CC(C)CCOc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2Cl)cc1 14021835 RGAODYWCPFZRHQ-UHFFFAOYSA-N 469.763 4.367 50 10 JIGE CCCOc1ccc(C(=O)NNC(=O)COc2cc(C)c(Cl)c(C)c2)cc1Br 14647226 JYWPCNAMGRTKCJ-UHFFFAOYSA-N 469.763 4.348 50 10 JIGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(OC)cc4)ccc32)cc1OC 38659678 HFBVZLJHHAIPOW-MHZLTWQESA-N 486.524 4.469 50 10 JIGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(OC)cc4)ccc32)cc1 38677119 XNLDYWMCZYSESQ-SANMLTNESA-N 456.498 4.460 50 10 JIGE O=C(CCl)N(C[C@@H]1COc2ccccc2O1)C1(C(=O)NC2CCCCCC2)CCCCC1 97915031 OOTQRYBEDXUUEZ-HXUWFJFHSA-N 463.018 4.436 50 10 JIGE CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)C1=O 101341449 OFILMLSGNVKVQO-OEAKJJBVSA-N 478.932 4.464 50 10 JIGE Cn1c(C(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)cc2ccccc21 169926014 HMALRTQKONBDDE-AWQFTUOYSA-N 451.118 4.173 50 10 JIGE COc1ccccc1/C=C/C(=O)Oc1ccc(/C=C(/C#N)C(=O)NCc2ccco2)cc1OC 206521112 XTQHUOKLMYFZQZ-MGFARZDGSA-N 458.470 4.139 50 10 JIGE COc1cc(C=NNC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)ccc1O 252625151 QEJDEAPZKCZRPL-UHFFFAOYSA-N 450.442 4.313 50 10 JIGE O=C(CBr)c1c(Br)cc(I)cc1OC(F)F 575682009 GEVQEBOFOCPJHR-UHFFFAOYSA-N 469.845 4.233 50 10 JIGE CC1(C)C[C@H](Br)C[C@@H](NC(=O)c2ccc(I)c(O)c2)C1 693896696 SHINIZPDXIIMQZ-GHMZBOCLSA-N 452.130 4.069 50 10 JIGE C[C@@H]1CCCN(C(=O)c2cc(I)ccc2O)[C@H]1CCBr 697199602 INWFATBCIMPANR-MFKMUULPSA-N 452.130 4.023 50 10 JIGE Cc1ccc(NC(=O)COC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)cc1F 761380513 AVABTEGQHSQCHN-UNOMPAQXSA-N 457.465 4.000 50 10 JIGE COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(F)cc2)c1C 933799555 CWCDARMAJAQPHG-UYRXBGFRSA-N 496.564 4.038 50 10 JIGE CCOc1cc(C=NNC(=O)c2ccc(C)cc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1084619243 PEHAVMZQGYJKQJ-UHFFFAOYSA-N 492.528 4.403 50 10 JIGE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 1139374537 HDHQEOSEDARPHW-GJZUVCINSA-N 451.683 4.051 50 10 JIGE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NNc2cc(C)ccn2)c1 1558950827 JVHFLCFCHSMKCR-UHFFFAOYSA-N 456.955 4.182 50 10 JIGE Cc1ccc(-c2ccc(C(=O)NNC(=O)c3ccccc3S(=O)(=O)CC(C)C)c(C)n2)cc1C 1865756018 BGDAZCOJWUBCIY-UHFFFAOYSA-N 479.602 4.178 50 10 JIGE COc1cc(OC)c(OC)cc1/C=C1\Oc2cc(OC(=O)C(Cl)Cl)cc(C)c2C1=O 1871386069 BKQNUHKFWRBMNV-IDUWFGFVSA-N 453.274 4.346 50 10 JIGE C[C@@H](CCCCCI)NS(=O)(=O)c1ccc(Br)s1 2054170569 MUFICOJSKIMQBM-VIFPVBQESA-N 466.204 4.173 50 10 JIGE COc1cccc(OC)c1-n1nc(CBr)c(I)c1C(F)(F)F 2079256772 GBADNMKKBPYHQL-UHFFFAOYSA-N 491.045 4.408 50 10 JIGE COCCN1C[C@@H](Br)[C@H](Cc2ccc(Br)cc2Br)C1 2100729812 GOKOIOMHTYJSPN-BXUZGUMPSA-N 456.016 4.096 50 10 JIGE CC(C)(C)OC(=O)N1CCC(CI)(OCCCN2CCCCCC2)CC1 2119262867 AKBUZXGOCHJHSW-UHFFFAOYSA-N 480.431 4.474 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N[C@@](C)(CBr)C2CC2)cc1Br 2146581399 CVGFABDPUJZCTL-ZDUSSCGKSA-N 490.055 4.362 50 10 JIGE COc1cc(OC)c([C@@H](Br)c2cc(I)sn2)c(OC)c1 2176535443 AHCLJNVGBPXTFQ-ZDUSSCGKSA-N 470.126 4.258 50 10 JIGE CC1(C)CN(S(=O)(=O)c2ccc(CBr)cc2F)CCN1Cc1ccccc1 2179788709 GPGANECLACYIDE-UHFFFAOYSA-N 455.393 4.006 50 10 JIGE C[C@H]1CN(Cc2ccccc2)C[C@@H](C)CN1S(=O)(=O)C1CCC(CBr)CC1 2179834596 KRZOQLIHENBGQT-JJYICEPISA-N 457.478 4.112 50 10 JIGE CC(C)(C)[C@@H]1[C@@H](Br)CCN1C(=O)Cc1ccccc1I 2185110345 OLLAUZGAOKRSSM-WFASDCNBSA-N 450.158 4.244 50 10 JIGE C[C@]1(CBr)COCCN(C(=O)c2cc(Br)ccc2Br)C1 2199825471 PHNXYEFLVDRCES-CQSZACIVSA-N 469.999 4.085 50 10 JIGE O=C(N[C@@H]1COC2(CCC2)[C@@H]1Br)c1c(Br)cccc1Br 2206473024 UTFHBDNKBXKGFO-ZYHUDNBSSA-N 467.983 4.026 50 10 JIGE O=S1(=O)CC[C@H](C(CBr)(CBr)Cc2cscc2Br)C1 2227115249 JYTMKTKDCIVACM-JTQLQIEISA-N 495.096 4.264 50 10 JIGE O=C(c1ccc(F)cc1I)N1C[C@H](Br)CC12CCCC2 2241025668 CZADWMGRUMOPJA-SNVBAGLBSA-N 452.105 4.353 50 10 JIGE CC(C)(C)OC(=O)N[C@@H]1CCN(CC2(CBr)CCOCC2)[C@H](C(F)(F)F)C1 2281046342 ATTJDFPUAOAYHU-KGLIPLIRSA-N 459.347 4.098 50 10 JIGE CCOC(=O)c1cc(C(C)C)sc1NC(=O)C(C#N)=Cc1cc2c(cc1[N+](=O)[O-])OCO2 2295672697 TVOSLXCUSQDNKV-UHFFFAOYSA-N 457.464 4.231 50 10 JIGE CC[C@H](C)c1ccccc1O[C@H](C)C(=O)NNC(=O)CCC(=O)Nc1cccc(Cl)c1C 9872180 MEQRRCJPYDAMNZ-DOTOQJQBSA-N 459.974 4.496 50 10 JIGE CC[C@H](C)Oc1ccc(C(=O)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)cc1 10291861 FIWQDNMMCRVBIJ-ZDUSSCGKSA-N 452.338 4.351 50 10 JIGE Cc1cc(C(=O)NNC(=O)CCC(=O)c2ccc(Br)cc2)c(C)n1-c1ccccc1 17443079 ZCKFWTFMAPSBSM-UHFFFAOYSA-N 468.351 4.281 50 10 JIGE Cc1cc(C)cc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)NCCc2ccccc2)c1 33740909 PNGPIGPMEQCJEV-XLNRJJMWSA-N 464.525 4.370 50 10 JIGE CCSS(=O)(=O)c1ccc(N2C(=O)CS/C2=N\C(=O)c2cc3ccccc3o2)cc1 39916716 KOBCKQZMEWRDEK-MRCUWXFGSA-N 460.558 4.151 50 10 JIGE Cc1cccc2sc(Nc3ncnc(NNC(=O)c4ccccc4Cl)c3[N+](=O)[O-])nc12 40650410 UOTJHFXBHBXPJM-UHFFFAOYSA-N 455.887 4.457 50 10 JIGE N#C/C(=C\c1ccc(OS(=O)(=O)c2ccc3ccccc3c2)cc1)C(=O)NCc1ccco1 40945554 XBINULWKGKADFJ-KGENOOAVSA-N 458.495 4.424 50 10 JIGE CCC(C)(C)C(=O)O[C@@H]1C[C@H](C)[C@H](Cl)C2=CC(=O)[C@H](C)[C@H](CC[C@H]3C[C@@H](O)CC(=O)O3)[C@H]21 96031305 KKSVIGYDMGAPMK-KJRABKHOSA-N 469.018 4.206 50 10 JIGE in-vitro COC(=O)c1cc(OC)c(OC)cc1N/C=C(/C#N)c1nc(-c2ccc3c(c2)OCO3)cs1 102416238 XLZKWOBHRFXOGS-UVTDQMKNSA-N 465.487 4.319 50 10 JIGE COc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(F)cc3)nc3ccccn3c2=O)cc1 102846464 LSNODSSDOWQLJW-PEZBUJJGSA-N 456.433 4.180 50 10 JIGE CC(CC(=O)Nc1ccccc1Cl)=NNC(=O)COc1ccc(C)cc1Br 252460169 CGJOOQCUYQGQEX-UHFFFAOYSA-N 452.736 4.311 50 10 JIGE O=C(c1cc(Br)c(Br)s1)N1CCSC[C@H]1CBr 388195017 QZGFZXPDWNKMLA-ZCFIWIBFSA-N 464.042 4.226 50 10 JIGE CCN1CC[C@@H](CNC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)C1 730936544 MDUMWIBMUWDCJI-TYJAPOHBSA-N 455.400 4.222 50 10 JIGE O=C(NNS(=O)(=O)c1ccc(Oc2cccc(Cl)c2)cc1)c1cccc2cccnc12 731177724 JJCANIUJCSCINT-UHFFFAOYSA-N 453.907 4.304 50 10 JIGE COc1ccc2c(COC(=O)/C(C#N)=C/c3cn(CCC#N)nc3-c3ccccc3)cc(=O)oc2c1 761396020 AMKWPGJKLBJNAY-XDHOZWIPSA-N 480.480 4.229 50 10 JIGE Cc1ccc(N(CC(=O)NN=Cc2ccc(OC(C)C)cc2)S(=O)(=O)c2ccccc2)c(C)c1 1084482298 HRBMAZFUOLXOJS-UHFFFAOYSA-N 479.602 4.436 50 10 JIGE COc1cc([C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)ccc1[N+](=O)[O-] 1614631955 XMDMOMRPBYQQPX-DLBZAZTESA-N 496.301 4.391 50 10 JIGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)c1O 1865683411 CTQAAYOYOANQRQ-MRXNPFEDSA-N 460.387 4.022 50 10 JIGE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1cccc(OC)c1OC)C(C#N)=C(N)O2 1865701375 UJFLYEZJIKSMKZ-HXUWFJFHSA-N 450.926 4.383 50 10 JIGE COc1ccc(-c2ccc(C(=O)NNC(=O)/C=C/c3ccc(Cl)cc3)c(C)n2)cc1OC 1865757962 CHBWTGCMBHRFQG-AWNIVKPZSA-N 451.910 4.202 50 10 JIGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1ccc(I)cc1 1902796176 JHLBNGOKVHJMCU-KRWDZBQOSA-N 488.163 4.391 50 10 JIGE C[C@@H]1CN(c2ncc(I)cc2Br)CC[C@@H]1CBr 2015757074 OGMJOPBTVOXORH-RKDXNWHRSA-N 473.978 4.306 50 10 JIGE O=C(c1ccc(Br)cc1Br)N1CCC(I)CC1 2021449079 OSGJAKFPVHLBBN-UHFFFAOYSA-N 472.946 4.251 50 10 JIGE C[C@@](CBr)(NC(=O)c1ccc(I)c(Cl)c1)C(F)F 2043177971 ZOMCQMDDYLNJPT-NSHDSACASA-N 452.464 4.093 50 10 JIGE O=S(=O)(c1ccc(CCl)c(Br)c1)N1CC[C@@H](COCc2ccccc2)C1 2088578116 ZNZBQOGALPWVQJ-MRXNPFEDSA-N 458.805 4.415 50 10 JIGE CN(C)CCCN(Cc1ccccc1)S(=O)(=O)c1ccc(CBr)c(Cl)c1 2123208942 XMZNNJBZSHYLAN-UHFFFAOYSA-N 459.837 4.378 50 10 JIGE CC1(C)C[C@@H](NS(=O)(=O)c2ccc(CBr)cc2)CCN1Cc1ccccc1 2155050033 AWNPMSAETWFMMD-IBGZPJMESA-N 451.430 4.303 50 10 JIGE CC(F)(F)C[C@H](CBr)NS(=O)(=O)c1c(Cl)cccc1Br 2169537128 FUTVCZRAOLKUPX-SSDOTTSWSA-N 455.546 4.190 50 10 JIGE CN(CC1CC(Br)C1)c1nc([C@H](CCC(=O)O)NC(=O)OC(C)(C)C)cs1 2198786309 BGWFPRWWGWTBIX-BPCQOVAHSA-N 462.410 4.183 50 10 JIGE CCOC(=O)COc1c(Br)cc(C=C(C#N)C(=O)N[C@H]2CCCC[C@H]2C)cc1OC 2295195961 CZAWBNDHAUHCLF-KDOFPFPSSA-N 479.371 4.001 50 10 JIGE COc1cc(OC)c([C@@H](Br)c2c(Br)cnn2C)cc1Br 2295431081 SDKXVJWQEAZOEA-GFCCVEGCSA-N 468.971 4.447 50 10 JIGE COc1cc(NC(=O)COC(=O)C(C#N)=Cc2cc(C)n(CCC(C)C)c2C)c(C)cc1[N+](=O)[O-] 2297486949 KYFPYAJHLMWUND-UHFFFAOYSA-N 482.537 4.465 50 10 JIGE CN(CCOCCI)Cc1c(Br)cccc1Br 2306798185 CLMHUQDRPDVEFC-UHFFFAOYSA-N 476.978 4.095 50 10 JIGE Cn1c(=O)n(C)c2cc(C=C(C#N)C(=O)Nc3cccc4ccccc34)c(Br)cc21 2313548467 XPTAZNYQHDYMPE-UHFFFAOYSA-N 461.319 4.338 50 10 JIGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1c(OC)cccc1OC 2314753213 LYLQKEUNHNWYFH-UHFFFAOYSA-N 476.485 4.138 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC[C@H]2CO[C@]3(C)C[C@H]2C3)C1 2318557110 HREXJWYTGIPOIE-VVWQDTPRSA-N 465.372 4.023 50 10 JIGE Cc1cc(Br)ccc1S(=O)(=O)N[C@H](CCBr)COCc1ccccc1 2320406365 MZXSWFSZZFDTGO-QGZVFWFLSA-N 491.245 4.406 50 10 JIGE COc1ccccc1CCNC=C(C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324609799 LFICUQAADWKCBT-UHFFFAOYSA-N 480.612 4.169 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1[C@H]2CC[C@@H]1C[C@@H]2CBr 2329070585 CDIOGZYKMGXEFI-BREBYQMCSA-N 454.533 4.333 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@H]2CC[C@@H](Br)[C@H]2C1 2353932919 NSNWHWWVZAHYRH-DVVUODLYSA-N 488.039 4.006 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1[C@H]2CC[C@@H]1[C@H](CBr)C2 2354259626 CAXQSOFIGJUFPQ-PTOFAABTSA-N 488.039 4.148 50 10 JIGE Clc1ccc(I)cc1CN1C[C@@H]2OCCC[C@@]2(CBr)C1 2380513621 UXMGRIQNIFVDEC-LSDHHAIUSA-N 470.576 4.321 50 10 JIGE C[C@@H](Nc1ccc(F)cc1)C(=O)N/N=C/c1cc(Br)c(O)c(Br)c1 20311177 QCAQDUPOIAFAAJ-GCYXGZDWSA-N 459.113 4.007 50 10 JIGE CCCCCC(=O)N/N=C/c1ccc(OC(=O)c2cc(OC)c(OC)c(OC)c2)c(OCC)c1 33959216 GIUSPWSURXCVOH-WGOQTCKBSA-N 472.538 4.361 50 10 JIGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cc(Br)cc(Cl)c2O)cc1 58893029 YRNQXDVWVAMBOQ-ZTBJCTOSSA-N 455.736 4.171 50 10 JIGE CCCCCCCC(=O)NC(=S)NNC(=O)COc1ccc(C(C)C)cc1Br 100171265 WUQUGISVBAWZKR-UHFFFAOYSA-N 472.449 4.334 50 10 JIGE CSc1ccc(C=NNC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)cc1 254310255 VIDNPNJOMYPIPO-KHOJTQBLSA-N 458.587 4.396 50 10 JIGE CCN(CC)c1ccc(C=NNC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)c(O)c1 254416395 YSNLSOKJIODIIL-TZCATKMRSA-N 499.615 4.226 50 10 JIGE CCCOc1ccc2ccccc2c1C=NNC(=O)CNC(=O)CCCc1ccc(OC)cc1 254709021 ZHFMEICBRPSECN-UHFFFAOYSA-N 461.562 4.226 50 10 JIGE O=S(=O)(N[C@@H]1CCC[C@@H](CBr)C1)c1cc(Cl)c(Br)s1 302582135 FROODTPURLGDKU-HTQZYQBOSA-N 451.633 4.396 50 10 JIGE Cn1cc(Br)c([C@H](Br)c2cc(Br)cc3c2OCC3)n1 693119385 BABSSDTZJOJMPK-LLVKDONJSA-N 450.956 4.364 50 10 JIGE Cn1cc(CC(CBr)(CBr)c2ccccc2)c(Br)n1 714082292 USZUEUOPJGGROD-UHFFFAOYSA-N 451.000 4.453 50 10 JIGE C[C@@H](CBr)[C@@H](C)NC(=O)c1ccc(I)c(Br)c1 721591671 DOHMRELWJHZWBN-JGVFFNPUSA-N 474.962 4.203 50 10 JIGE CN(Cc1ccccc1)C(=O)N1CCC(C(=O)NNC(=O)c2cc3c(s2)CCCCCC3)CC1 727365204 ATDUEXNRYSCMSI-UHFFFAOYSA-N 482.650 4.132 50 10 JIGE N#CCCn1cc(/C=C(/C#N)C(=O)NNC(=O)c2ccc3ccccc3n2)c(-c2ccc(Cl)cc2)n1 913962086 BOKJPAXEGGPIOH-RGEXLXHISA-N 495.930 4.034 50 10 JIGE C=CCc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1O 1084251789 GADPXXGXFUERLJ-XMHGGMMESA-N 452.352 4.139 50 10 JIGE Cc1cccc(C(=O)NN=C2C(=O)N(CCc3ccccc3)c3ccc(Br)cc32)c1 1084325600 WSKMVXXDEKYUSB-UHFFFAOYSA-N 462.347 4.481 50 10 JIGE CCCNC(=O)c1oc2c(c1C)C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772750172 WGZGZWLEODAUJD-UHFFFAOYSA-N 452.338 4.270 50 10 JIGE C[C@H](C(=O)NNC(=O)/C=C/c1ccc(Cl)cc1Cl)n1cnc2sc3c(c2c1=O)CCCC3 1860771887 KUQBKKKCQDTZLF-YPUOHESYSA-N 491.400 4.065 50 10 JIGE CCC[C@H](NC(=O)C[C@@H](c1ccccc1)c1nnc(C)o1)C(=O)Nc1ccc(SC#N)cc1 1867023982 ISEOTNGGKBTSDC-SFTDATJTSA-N 463.563 4.397 50 10 JIGE CCN(CC)S(=O)(=O)C[C@@H](Br)c1scc(Br)c1Br 2028940569 FARFNOBYEIGARZ-MRVPVSSYSA-N 484.073 4.381 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1cccc(Br)c1F 2061268575 WFQIQOHINUTNPM-UHFFFAOYSA-N 453.399 4.224 50 10 JIGE C[C@]1(CBr)C[C@H](NS(=O)(=O)c2cc(Br)ccc2Br)C1 2123438896 QMANTOZRWXNCBE-OTCDBFHCSA-N 476.028 4.054 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CCC[C@@](F)(CCl)C1 2142284575 DYKOTEUYUFTJAT-CYBMUJFWSA-N 460.512 4.237 50 10 JIGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1CC([C@@H](F)CBr)C1 2166901630 VPCXEKSNUSYNAP-JTQLQIEISA-N 469.985 4.109 50 10 JIGE C[C@H]1CN(Cc2ccccc2)CCN1S(=O)(=O)c1cc(F)c(Cl)c(CBr)c1 2179861149 CUCFOJGSAJWHIF-AWEZNQCLSA-N 475.811 4.269 50 10 JIGE O=S(=O)(c1ccsc1CBr)N1CC[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 2179869857 DEFKDKCFUAOLTN-MSOLQXFVSA-N 469.470 4.176 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CC[C@H](C(F)(F)CCl)C1 2197765970 JULITYBCOPFYPW-QMMMGPOBSA-N 478.502 4.390 50 10 JIGE C[C@@H](CCl)CC1CN(C(=O)c2cc(I)ccc2Br)C1 2230685925 UYAIPMWHDXSUSE-SECBINFHSA-N 456.549 4.391 50 10 JIGE O=C(N[C@@]1(CBr)C[C@H]2CC[C@H]1C2)c1c(F)cccc1I 2283927406 AFJMSRXHQRHIBK-AMJWSMQMSA-N 452.105 4.114 50 10 JIGE COc1ccc(C=C(C#N)C(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccccc3)cc2OC)cc1 2314737141 OEBDFCDSPKFKJC-UHFFFAOYSA-N 493.519 4.440 50 10 JIGE COc1ccc(OC)c([C@@H](Br)c2c(Br)c(Br)nn2C)c1 2364228739 QHCPHQPPMDGSFL-SNVBAGLBSA-N 468.971 4.447 50 10 JIGE O=C(NC1CCCC1)[C@@H](c1ccc(Cl)cc1)N(C[C@@H]1COc2ccccc2O1)C(=O)CCl 3039478 SJMWGLRLLBNFNN-AUSIDOKSSA-N 477.388 4.347 50 10 JIGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1 14007344 PEUFBEXZWWBOLN-INIZCTEOSA-N 451.910 4.129 50 10 JIGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(C(C)(C)C)cc2)cc1Br 14647835 MRQAFQYISFHTNP-UHFFFAOYSA-N 492.439 4.485 50 10 JIGE CC(C)C(=O)Nc1ccc(C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 14649953 YEIGJEPIMYLHQY-UHFFFAOYSA-N 490.398 4.181 50 10 JIGE Cc1ccc(C)c(-n2c(C)nnc2SCC(=O)NNC(=O)c2cc(C)n(-c3ccccc3)c2C)c1 23155697 HDYPDDYTGSJXED-UHFFFAOYSA-N 488.617 4.153 50 10 JIGE COc1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)c(C(=O)O)c1OC 27520003 TUJDCZJKKALZSQ-LGJNPRDNSA-N 481.892 4.072 50 10 JIGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc([N+](=O)[O-])cc2)c1 38654697 UTFRWLWOGATQPR-XMMPIXPASA-N 457.442 4.106 50 10 JIGE Cc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(O)cc3O)n2C2CCCCC2)cc1 254352099 OJMOILRTICCYFR-UHFFFAOYSA-N 465.579 4.412 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N(C)C[C@@H](Br)C2CC2)cc1Br 708506440 LMKNHSASPWKGAN-GFCCVEGCSA-N 490.055 4.314 50 10 JIGE CCC[C@H](CCBr)NS(=O)(=O)c1cc(Br)ccc1Br 716934549 KZRSJSJSEIGNOR-SNVBAGLBSA-N 478.044 4.444 50 10 JIGE C[C@H](Br)[C@H]1CCN(C(=O)c2ccc(I)c(Br)c2)C1 721605961 UQFSIFGARTTXPW-WPRPVWTQSA-N 486.973 4.299 50 10 JIGE O=C(NCCCc1c[nH]c2ccccc12)NNC(=O)c1ccccc1OCc1ccc(F)cc1 730909752 CIBUAQMEGZLMIU-UHFFFAOYSA-N 460.509 4.463 50 10 JIGE COc1cc(OC)cc(C(=O)N2CCC(C(=O)NN=Cc3ccc(C(C)(C)C)cc3)CC2)c1 1083889370 GADUKHOCGZCVPQ-UHFFFAOYSA-N 451.567 4.004 50 10 JIGE C#CCN1CCCN(C(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)CC1 1465278550 OVRXALXSRCFDCU-RCCKNPSSSA-N 454.496 4.187 50 10 JIGE C#CCOc1ccc(NC(=O)NNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cc1 1623086891 YLUALROVXWTXMY-UHFFFAOYSA-N 451.486 4.018 50 10 JIGE CC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)NNc3c(C)cc(C)cc3C)cc2)cc1 1638394416 XGUXXDPNZGEXSH-UHFFFAOYSA-N 451.548 4.372 50 10 JIGE O=C(OC[C@H]1O[C@H](OC(=O)c2ccccc2)[C@H](Cl)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 1848437112 VDCIOKMTTDZNQF-PIXQIBFHSA-N 480.900 4.258 50 10 JIGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc3c(c1)OCCO3)C(C#N)=C(N)O2 1865698141 LJZGHRHZLXHAAZ-XMMPIXPASA-N 456.546 4.490 50 10 JIGE COc1ccc(/C=C(\C#N)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1OC 1866130301 NDKKLLAUIUKEJN-KZVLXBEFSA-N 462.594 4.020 50 10 JIGE N#C/C(=C\c1cccc(Br)c1)C(=O)Nc1c(Br)cccc1C(=O)O 1866131671 HTYHBXDYVHVCQS-YRNVUSSQSA-N 450.086 4.455 50 10 JIGE CC[C@@](C)(NC(=O)c1cc(-c2cc(F)ccc2F)n(C)n1)C(=O)Nc1ccc(SC#N)cc1 1867104627 YAHXITQGXLPSLX-HSZRJFAPSA-N 469.517 4.476 50 10 JIGE O=C(N[C@@H](CBr)C(F)(F)F)c1c(Br)cccc1Br 2033091816 VZHQVPAGHBWUBR-ZETCQYMHSA-N 453.878 4.267 50 10 JIGE CN(Cc1ccccc1)[C@H]1CCN(S(=O)(=O)c2cc(CBr)ccc2Cl)C1 2123198558 FTUYNMRKDNVAAC-KRWDZBQOSA-N 457.821 4.130 50 10 JIGE O=C(N[C@@H]1CC[C@@H]2C[C@]21CCl)c1ccc(Br)cc1I 2142278254 ALDVHFUPUQLMCR-RGZBUGHASA-N 454.533 4.191 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@@H]2[C@@H](CBr)C[C@H]2C1 2142290046 XKOZHQSUWXTZNC-VDDIYKPWSA-N 498.984 4.157 50 10 JIGE CN(C[C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(Br)c(CCl)c1 2144828610 CZECINNTFPQGHR-KRWDZBQOSA-N 471.848 4.331 50 10 JIGE O=C(c1cc(Br)c(Br)s1)N1C[C@H](Br)C2(CCOCC2)C1 2174379617 PPWYKILLFPANQM-JTQLQIEISA-N 488.039 4.289 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1[C@H]2CC[C@@H](C2)[C@H]1CBr 2178706250 QJAAFAOQDGIWNV-PTOFAABTSA-N 488.039 4.148 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@@H](NS(=O)(=O)c2ccc(CBr)cc2)C1(C)C 2203805562 UCNMDLVVCYNPGN-MRXNPFEDSA-N 461.422 4.038 50 10 JIGE Cc1ccc(C(=O)N2CCC([C@H](F)CBr)CC2)cc1I 2232827595 QPPMJCQBJROKGV-CYBMUJFWSA-N 454.121 4.185 50 10 JIGE Cc1ccc(I)c(C(=O)N2CC[C@@H](CCBr)[C@H](C)C2)c1 2240921904 LUSNVSXAHOTPTK-CHWSQXEVSA-N 450.158 4.483 50 10 JIGE C[C@@H](Br)COCc1cn(-c2ccc(Br)c(Br)c2)nn1 2278383392 CDSGVTPHMSURIX-MRVPVSSYSA-N 453.960 4.092 50 10 JIGE CC(C)COc1ccc(Br)cc1C=C(C#N)C(=O)NCc1ccc2c(c1)OCO2 2295635785 AGVKWIGWDLWYSE-UHFFFAOYSA-N 457.324 4.436 50 10 JIGE CC(C)(CI)CN1C[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 2306818975 POSUDESZCPDKAQ-NEPJUHHUSA-N 464.310 4.083 50 10 JIGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)C=Cc1ccc(Cl)cc1Cl 2314792681 CQDWIDRBZWFDGW-UHFFFAOYSA-N 487.339 4.387 50 10 JIGE COc1ccc(CNC=C(C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 2324599144 FBRNYZHUWHXHJE-UHFFFAOYSA-N 466.585 4.126 50 10 JIGE C[C@@](NC1CC(Br)C1)(C(=O)O)c1cc(Br)c(Br)s1 2324687821 IIPDFUDHMBSDME-HPPGLBNUSA-N 462.001 4.088 50 10 JIGE CN(Cc1c(Br)c(Br)nn1C)C[C@H](CBr)CC1CC1 2338944068 JRPRONXWQAJTEV-JTQLQIEISA-N 458.036 4.188 50 10 JIGE COc1cc(OC)cc([C@H](C)O[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2I)c1 2339730312 JFFKZCGWODOANS-VUCTXSBTSA-N 477.339 4.204 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N1CC[C@H]2[C@H](CBr)[C@H]2C1 2360163429 AJCIPNISIOEMMW-IHRRRGAJSA-N 466.011 4.244 50 10 JIGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)NCCc3ccccc3)c(Oc3ccccc3F)nc12 33579629 OUDYQCPWUYYYDW-SILNSSARSA-N 468.488 4.200 50 10 JIGE COc1ccc(CCC(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2OC)cc1 40995547 JYTUWINHZPRRRE-XSFVSMFZSA-N 460.486 4.058 50 10 JIGE CCOC(=O)[C@@H]1C[C@@H](I)[C@H](OCc2ccc(Br)cc2)C1 162536042 APOPLKPSOCYPNW-MRVWCRGKSA-N 453.114 4.111 50 10 JIGE CC(C)[C@H](CI)NC(=O)c1cc(Cl)ccc1I 232729194 CSKFUJXIMJIROA-NSHDSACASA-N 477.511 4.134 50 10 JIGE COc1ccccc1C(=O)NN=C(C)c1ccc(C(C)=NNC(=O)c2ccccc2OC)cc1 254288233 DUUHXCDJOJUJCV-UHFFFAOYSA-N 458.518 4.012 50 10 JIGE Cc1ccc(NC(=O)C(=O)NN=Cc2c(OC(=O)c3ccccc3)ccc3ccccc23)cc1 254490602 YVGFLAIJJUDLIB-UHFFFAOYSA-N 451.482 4.456 50 10 JIGE COc1cccc(C=NNC(=O)CSc2nc3ccccc3n2Cc2ccccc2)c1OC 254820998 PHYYLRFWYBSGHU-UHFFFAOYSA-N 460.559 4.344 50 10 JIGE CC1(C)CN(S(=O)(=O)c2cc(Cl)c(Br)s2)CC[C@H]1Br 306097417 ODDVMHAGAVREQO-MRVPVSSYSA-N 451.633 4.348 50 10 JIGE COc1ccc([C@@H](Br)c2cnn(C)c2I)c(Br)c1 386263741 VRAMNRHXYNUCTD-LLVKDONJSA-N 485.945 4.280 50 10 JIGE O=C(NC1(CBr)CCC1)c1ccc(I)c(Br)c1 721592961 IFGKWXGBIZMWKW-UHFFFAOYSA-N 472.946 4.101 50 10 JIGE COc1ccc([N+](=O)[O-])c([C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)c1 725437858 MMMJMAOVZRHPQC-MAUKXSAKSA-N 496.301 4.391 50 10 JIGE Cc1cc(C(=O)NN=C2C(=O)N(Cc3ccc(F)cc3)c3ccc(Br)cc32)c(C)o1 1084118439 HTRTYOILZDKISP-UHFFFAOYSA-N 470.298 4.479 50 10 JIGE C=CCn1c(S)nnc1-c1sc(NC(=O)/C(C#N)=C/c2ccc(OCC)cc2)nc1C 1136666509 LPOXMBPJWBRVEB-RVDMUPIBSA-N 452.565 4.129 50 10 JIGE C=CCn1c(SCC(=O)NNc2c(F)cc(F)cc2F)nnc1-c1ccc(Cl)cc1 1636670422 AWAHVVWXTGWTMR-UHFFFAOYSA-N 453.877 4.437 50 10 JIGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(OC)c(O)c1)C(C#N)=C(N)O2 1865681969 CDKLNSKXNLSAIM-LJQANCHMSA-N 467.323 4.130 50 10 JIGE COc1cc(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2F)c1O 1865697057 VVCKUUKHWGFLJV-LJQANCHMSA-N 485.313 4.074 50 10 JIGE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865710325 VJRDHNSNDYOJTF-OAQYLSRUSA-N 493.907 4.045 50 10 JIGE CC(=O)Oc1ccc(C[C@@H](NC(=O)CCc2ccco2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866582922 DXUQKEQTWMWKQX-HSZRJFAPSA-N 477.542 4.077 50 10 JIGE Cn1cc(I)c(CN(Cc2ccccc2)C(C)(C)CBr)n1 1890829987 QAXKASKCKKWXSV-UHFFFAOYSA-N 462.173 4.200 50 10 JIGE Cc1cc(Br)c(F)c(C[C@@H](Br)CN2C(=O)c3ccccc3C2=O)c1 1905372394 VGUNKJAFHWVKRK-GFCCVEGCSA-N 455.121 4.499 50 10 JIGE CC1(C)C[C@@H](CBr)CN1c1ncc(I)cc1Br 2015768507 UPXSNMDKJJSGIX-QMMMGPOBSA-N 473.978 4.449 50 10 JIGE O=C(CCN1CCN(C(c2ccccc2)c2ccccc2)CC1)N/N=C/c1coc2ccccc2c1=O 2033817561 SAZVHECFTKFJEU-NJZRLIGZSA-N 494.595 4.040 50 10 JIGE N#CC(C(=S)Nc1ccccc1)=C(N)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 2040744379 CRRWVTQXZLUOES-UHFFFAOYSA-N 466.920 4.009 50 10 JIGE O=C(NCCC(F)(F)CBr)c1cc(Cl)ccc1I 2064902461 BMIVLJPTFSOQLU-UHFFFAOYSA-N 452.464 4.095 50 10 JIGE CCCN1CC[C@H]([C@H](Cl)c2csc(Br)c2Br)S1(=O)=O 2093945117 WBAYWIVKFAEEMD-PSASIEDQSA-N 451.633 4.367 50 10 JIGE C[C@H]1CN(S(=O)(=O)c2ccc(CBr)c(Cl)c2)CCN1Cc1ccccc1 2123201235 UGBCBHLUMOTTRS-HNNXBMFYSA-N 457.821 4.130 50 10 JIGE CN(Cc1ccccc1)CC1CCN(S(=O)(=O)c2ccc(CBr)s2)CC1 2123243434 JOKNQVANIVNGFE-UHFFFAOYSA-N 457.459 4.176 50 10 JIGE COc1ccc(CBr)cc1S(=O)(=O)N(Cc1ccccc1)CC(F)(F)F 2123269777 KOLRCWXTNFFUFR-UHFFFAOYSA-N 452.292 4.343 50 10 JIGE COCCN(C)C[C@@H](Br)CCc1ccc(I)c(Cl)c1 2142937265 PCMFEYGAYCHTQK-LBPRGKRZSA-N 460.581 4.219 50 10 JIGE O=S(=O)(c1ccc(CCl)c(Br)c1)N1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2144842725 YXBMOLGVOAVNGT-HDICACEKSA-N 469.832 4.225 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1CC2(CC2)C[C@H]1CBr 2155369464 VOJMHYMCODGIFF-JTQLQIEISA-N 488.039 4.150 50 10 JIGE C[C@H](CCCCCI)NC(=O)Cc1ccc(O)c(Br)c1 2174524408 SBHLWRZXAPFUHI-LLVKDONJSA-N 454.146 4.197 50 10 JIGE Cn1nc(Br)c([C@H](Br)c2c(Br)cc(F)c(F)c2F)n1 2226986852 LTLILQHMMQAEES-ZCFIWIBFSA-N 463.877 4.242 50 10 JIGE CCN(C[C@](C)(CI)OC[C@@]12C[C@@H](CO1)C2(C)C)C(=O)OC(C)(C)C 2260698389 HMHNARZEAOUNJP-ZOCIIQOWSA-N 467.388 4.269 50 10 JIGE BrC[C@]12CCO[C@@H]1CN(Cc1ccc(Br)cc1Br)C2 2278943581 CJRGBBYNVQIZNR-KGLIPLIRSA-N 454.000 4.197 50 10 JIGE O=C(c1c(F)cccc1I)N1[C@H]2CCC[C@H](Br)[C@H]1CC2 2282792942 VKGHAHKXFIANQL-OUJBWJOFSA-N 452.105 4.351 50 10 JIGE O=C(N[C@H]1C[C@@H](CBr)[C@@H]2C[C@H]12)c1scc(Br)c1Br 2309230654 PPHNNCPUTCSBEU-AZRUVXNYSA-N 458.013 4.422 50 10 JIGE O=S(=O)(N[C@H](CCCl)COCc1ccccc1)c1ccc(F)cc1Br 2320666247 SJGJSAJHIKJARP-OAHLLOKOSA-N 450.757 4.081 50 10 JIGE N#CC(=Cc1cc(Br)c(O)c(Br)c1O)c1nc(O)c2ccccc2n1 2331030125 VVYSZOJYTHDVLB-UHFFFAOYSA-N 463.085 4.336 50 10 JIGE COC(=O)c1c(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)sc(C(C)=CC#N)c1C 2331562604 WPSLWPJJZHKKHR-UHFFFAOYSA-N 489.509 4.412 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@H]2CC[C@@H](Cl)[C@H]2C1 2333350150 IRLRLDQTNPNCMY-JFUSQASVSA-N 454.533 4.143 50 10 JIGE C[C@@H]1CN(Cc2cc(I)ccc2Cl)C[C@H](CCBr)O1 2352427761 LRDMUPPEYJMTFG-MFKMUULPSA-N 458.565 4.319 50 10 JIGE Clc1ccc(I)cc1CN1CC[C@]2(C[C@@H](Br)CO2)C1 2352432630 VYBCGCLDDDPZQC-RISCZKNCSA-N 456.549 4.073 50 10 JIGE CCOC(=O)c1nn(-c2ccc(C(F)(F)F)cc2)c(=O)c2c(NC(=O)CCCl)scc12 9277667 OOGBBORUMKUAEM-UHFFFAOYSA-N 473.860 4.210 50 10 JIGE COc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4ccc5c(c4)OCCO5)c(C)c32)cc1 40813907 NDTVGWYMFUAODX-TURZUDJPSA-N 475.501 4.091 50 10 JIGE CNC(=O)/C(C#N)=C1/S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1cccc(OC)c1 102667293 MIXPHWXRBQZUQR-ISPGYRLHSA-N 462.358 4.174 50 10 JIGE Cn1c(=O)n(C)c2cc([C@H](Br)c3csc(I)c3)ccc21 124430996 BRWSXMTWSFEAEE-ZDUSSCGKSA-N 463.138 4.027 50 10 JIGE COc1ccc(C)cc1N(CC(=O)NN=C(C)c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 252620783 MMAGEUKEUKKIPU-UHFFFAOYSA-N 483.565 4.187 50 10 JIGE O=C(Cn1nnc(-c2ccccc2)n1)NN=Cc1ccccc1OCc1ccc(Cl)cc1Cl 252625491 QLDWNUSXRXVQFP-UHFFFAOYSA-N 481.343 4.376 50 10 JIGE CC(=NNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C)cc1)c1ccc([N+](=O)[O-])cc1 254391444 CMPUVVKAPJMWER-UHFFFAOYSA-N 487.541 4.235 50 10 JIGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccccc3C)cc2)cc1 254837188 UGCNYQWNKBCUAN-UHFFFAOYSA-N 459.502 4.092 50 10 JIGE Nc1nnc(SCC(=O)NN=Cc2ccccc2OCc2ccc(Cl)cc2Cl)s1 256028417 KPLXTKHHGKSMTP-UHFFFAOYSA-N 468.391 4.249 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2CC[C@H](Br)C[C@H]2C)cc1Br 705595237 CZZWDWCXHMJUGO-ZJUUUORDSA-N 490.055 4.457 50 10 JIGE N#CCCn1cc(/C=C(/C#N)C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c(-c2ccccc2)n1 729416945 AGGNXOTYRDLXGH-QJOMJCCJSA-N 476.540 4.312 50 10 JIGE C#CCN1CCC(NC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)CC1 1596609737 FLCWDGXSSNLCON-XSFVSMFZSA-N 454.496 4.234 50 10 JIGE Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccc3c(c2)OCCO3)cc1 1865698247 OGWLWQTWZTULMO-LJQANCHMSA-N 468.435 4.248 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccn2)[C@H]1c1ccc(Br)cc1 1865715104 WEAMZNBNUFTROT-AWEZNQCLSA-N 462.229 4.267 50 10 JIGE CCC[C@@H](NC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C)C(=O)Nc1ccc(SC#N)cc1 1867204448 YJNIFKYEGDQOAI-LJQANCHMSA-N 450.564 4.051 50 10 JIGE CC[C@H](NC(=O)c1c(C)cc(C)n(-c2ccccc2)c1=O)C(=O)Nc1ccc(SC#N)cc1 1867217090 XHMJFYXJPUNUPL-NRFANRHFSA-N 460.559 4.175 50 10 JIGE Cc1ccc(C)c(-c2csc(/C(C#N)=C(\O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n2)c1 1872749771 HXLCMPQWSVKNFK-ZZEZOPTASA-N 460.471 4.424 50 10 JIGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@@H]1C[C@@H]1Br 1877387887 BIGQXEYBSUFZDK-RXYZOABWSA-N 471.395 4.449 50 10 JIGE CN(CCN(Cc1ccccc1)S(=O)(=O)[C@H]1C[C@@H](CBr)C1)Cc1ccccc1 1885378427 NPUVQHCEEBQAKC-SZPZYZBQSA-N 465.457 4.124 50 10 JIGE CN(C[C@H](Br)COCc1ccccc1)S(=O)(=O)c1ccccc1C(F)(F)F 1916365053 SIDLBBCJYKPBEO-HNNXBMFYSA-N 466.319 4.306 50 10 JIGE O=C(NCC1CCC(CBr)CC1)c1ccc(F)cc1I 1922690251 PCMKWVNMXGYJSF-UHFFFAOYSA-N 454.121 4.361 50 10 JIGE CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)C(=O)N1CCC(Br)CC1 1955937908 BZXJUDGIKJAUOV-UHFFFAOYSA-N 454.409 4.383 50 10 JIGE O=C(N[C@H](CBr)C(F)(F)F)c1cc(Cl)ccc1I 2029996952 UCKXGBFCJSFXCT-MRVPVSSYSA-N 456.427 4.000 50 10 JIGE CCOC(=O)Cc1c(I)ccc(Br)c1CBr 2054975101 KUHJCAFCRBZZSX-UHFFFAOYSA-N 461.919 4.054 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OCCCN2CCCCC2)C1 2055694539 TXPDEEQWUKRRNM-IBGZPJMESA-N 466.404 4.084 50 10 JIGE O=S1(=O)CC[C@@H](CC(CBr)(CBr)c2ccccc2Br)C1 2148772661 ZHEFBQLLXYBCRA-NSHDSACASA-N 489.067 4.302 50 10 JIGE C[C@@H]1CN(C(=O)c2cc(Br)ccc2Br)C[C@@H](CCBr)O1 2179373385 FJWRLNGCWBPHDJ-MWLCHTKSSA-N 469.999 4.226 50 10 JIGE Cc1oc(CBr)cc1S(=O)(=O)N1C[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C 2179808083 DCULDXZODYQWGZ-HOTGVXAUSA-N 455.418 4.014 50 10 JIGE O=C(c1cccc(F)c1I)N1[C@H]2CC[C@@H]1C[C@H](CBr)C2 2184577698 LZZCZZPPRCXLQU-JGPRNRPPSA-N 452.105 4.208 50 10 JIGE CC(C)(C)[C@@H]1[C@@H](Br)CCN1C(=O)c1ccc(F)cc1I 2185101447 YWIVBSUHOWYOGN-AAEUAGOBSA-N 454.121 4.454 50 10 JIGE O=S(=O)(c1cc(CCl)ccc1Br)N1C[C@@H]2CCN(Cc3ccccc3)[C@H]2C1 2188887274 RLLOLQIMWYUMGF-HKUYNNGSSA-N 469.832 4.083 50 10 JIGE O=S(=O)(NC[C@@]12CCC[C@]1(CBr)C2)c1cc(Cl)c(Br)s1 2208034423 WWNSIVOELXQNTC-NEPJUHHUSA-N 463.644 4.398 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC2CC3(CC(F)C3)C2)C1 2249866321 YAWSKQVOZMIEGB-AASIRDQLSA-N 453.336 4.488 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1CC[C@@H]2[C@@H](CBr)[C@@H]2C1 2268347225 QXSIVYKVWUGGET-GMTAPVOTSA-N 454.533 4.048 50 10 JIGE C[C@@H]1CN(C(=O)c2ccc(Cl)c(I)c2)C[C@@H](C)C1Br 2268352216 YUJROMPWLXDMDJ-RKDXNWHRSA-N 456.549 4.436 50 10 JIGE N#CC(C(=O)NC1CCCC1)=C1NC(=NC(=O)c2ccc(Cl)cc2Cl)c2ccccc21 2296532731 RGBNXVZWHVHMME-UHFFFAOYSA-N 453.329 4.477 50 10 JIGE CN(C)c1ccc(C=C(NC(=O)c2cccc(F)c2)C(=O)NN=Cc2cn(C)c3ccccc23)cc1 2297550958 WNDWDJJGGJHEES-UHFFFAOYSA-N 483.547 4.305 50 10 JIGE CC(C)(C)OC(=O)NC1C[C@@H]2CSC[C@H](C1)C21CCC[C@@H](CI)O1 2302387139 FTAIHVCBBKNMEC-ICEFOOHZSA-N 467.413 4.396 50 10 JIGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)CCCOc2ccc(OC)cc2)c(OC)c1 2314785816 PUHFRQLREBEULS-UHFFFAOYSA-N 466.534 4.292 50 10 JIGE O=C(N[C@@H]1C[C@@H]2C[C@H]1C[C@@H]2Br)c1cc(Cl)ccc1I 2330898845 BREUYECUIWEGBU-NIUIZCCNSA-N 454.533 4.236 50 10 JIGE N#CC(=C(O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2ccc(F)cc2F)cs1 2331293147 XYPHKDCJHOLUMF-UHFFFAOYSA-N 468.397 4.085 50 10 JIGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc(NS(C)(=O)=O)cc3)n2)c(OC)c1OC 2331412593 NMSKCAPTRBJTIY-UHFFFAOYSA-N 487.559 4.157 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CC[C@H]2C[C@]1(CBr)C2 2336570016 PKGWODKXBAEBEK-DEZZCRIOSA-N 498.984 4.443 50 10 JIGE C[C@@H]1CN(Cc2ccc(Cl)cc2I)C[C@@H](CCBr)O1 2341011047 KOTPUDJOUPOZLO-ZWNOBZJWSA-N 458.565 4.319 50 10 JIGE Cn1nc(Br)c(Br)c1C(=O)N[C@@H]1C[C@H](Br)CC(C)(C)C1 2364015770 SIPSBYBQUDVFCL-JGVFFNPUSA-N 472.019 4.017 50 10 JIGE Cn1nc(Br)c(Br)c1C(=O)NC[C@@H](CBr)CC(C)(C)C 2364021827 JZIDILAPMLXPTK-MRVPVSSYSA-N 474.035 4.122 50 10 JIGE CC[C@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(OCc3ccccc3)cc2)cc1 10296152 GDCIWDUSNRMZTF-SFHVURJKSA-N 477.586 4.392 50 10 JIGE N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@H]1c1ccccc1OC(=O)c1cccc([N+](=O)[O-])c1 27530849 AZEYHYYRORPYGX-NRFANRHFSA-N 479.452 4.422 50 10 JIGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)c1 38701192 XMAHMJOJIMKLRL-JWQCQUIFSA-N 470.481 4.049 50 10 JIGE COc1ccccc1C(=O)NNC(=O)c1oc2c(c1C)/C(=N\Nc1ccccc1)CC(C)(C)C2 101109081 LZLJUEMXROVVBF-USHMODERSA-N 460.534 4.460 50 10 JIGE C=CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c(OC)c2)C1=O 101230999 GJVKWCPCTMYIIR-HYARGMPZSA-N 480.524 4.335 50 10 JIGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\Nc3ccc([N+](=O)[O-])cc3Cl)C2=O)cc1 101234888 GVYVTBRKHZYUDG-CPNJWEJPSA-N 466.881 4.004 50 10 JIGE CCc1cc(C(=O)Nc2cccc(C(C)=NNC(=O)COc3ccc4c(c3)OCO4)c2)cs1 254772165 UOSWBNXDEUMEDU-UHFFFAOYSA-N 465.531 4.211 50 10 JIGE CC(C)n1nc(C(=O)NNC(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)c2ccccc2c1=O 916222528 HAOQQDGSZFZMQM-UHFFFAOYSA-N 489.507 4.053 50 10 JIGE Cc1cccc(N(CC(=O)NN=Cc2ccccc2Br)S(=O)(=O)c2ccccc2)c1 1084288769 WOAVJASUVPYRHW-UHFFFAOYSA-N 486.391 4.103 50 10 JIGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)cc1 1658704484 ZJLXRZPINYMWDL-INIZCTEOSA-N 458.946 4.153 50 10 JIGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1cc(OC)c(OC)c(OC)c1)C(C#N)=C(N)O2 1865693772 YTHFMLUOYMUBOG-JOCHJYFZSA-N 478.524 4.267 50 10 JIGE COc1ccc(-c2nn(CC(C)C)c3c2[C@H](c2cc(OC)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865714351 ICWANWOLYFZDJO-OAQYLSRUSA-N 476.533 4.156 50 10 JIGE CC(=O)Nc1c(Br)cc(C(=O)N(CCCl)CCCl)cc1Br 1866350541 YZHVAZMNHMASAC-UHFFFAOYSA-N 460.981 4.090 50 10 JIGE O=S(=O)(NCC[C@@H]1CCC[C@H]1Br)c1cc(Cl)c(Br)s1 1913796021 IYMHNHLVTOIWEB-JGVFFNPUSA-N 451.633 4.396 50 10 JIGE CN(C[C@H]1C[C@@H](Br)C1)C(=O)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2020200378 DJKGIVJOEPWUTB-ROKPMTFOSA-N 495.458 4.462 50 10 JIGE C[C@](CBr)(NC(=O)c1ccc(I)c(Br)c1)C(F)F 2043167700 CAXLVVRMAPTJOW-LLVKDONJSA-N 496.915 4.202 50 10 JIGE FC(F)Oc1cc(CBr)cc(I)c1I 2060284942 RFOFOFCYYMJSOQ-UHFFFAOYSA-N 488.835 4.392 50 10 JIGE C[C@H](COC1(CI)CCN(C(=O)OC(C)(C)C)CC1)N1CCCCC1 2066644649 HZHMOKIVLYOIJE-MRXNPFEDSA-N 466.404 4.082 50 10 JIGE BrCc1cc(Br)cc(Br)c1OC[C@@H]1C[C@@H]2OCC[C@H]2O1 2163233498 DHIVTDPKTYIYRY-UHTWSYAYSA-N 470.983 4.432 50 10 JIGE O=C(c1cc(I)ccc1F)N1CC[C@H](Br)CC12CCC2 2169886795 WWINWTBLZQIOBI-JTQLQIEISA-N 452.105 4.353 50 10 JIGE O=C(c1c(Br)cccc1Br)N1CCC[C@@H](OCCBr)C1 2170227321 YYLQETJVCGBBAR-SNVBAGLBSA-N 469.999 4.228 50 10 JIGE C[C@@H]1CN(C(=O)c2cccc(Br)c2Br)C[C@H](CCBr)O1 2179381707 GAMGJSPHNWOYQX-ZJUUUORDSA-N 469.999 4.226 50 10 JIGE O=S(=O)(c1ccc(CBr)s1)N1CCC2(CCN(Cc3ccccc3)CC2)C1 2179864224 YRTVLECZGASTGK-UHFFFAOYSA-N 469.470 4.320 50 10 JIGE O=S(=O)(c1csc(CBr)c1)N1CCc2sc(Br)cc2C1 2206356100 GLURSFKURRNDAO-UHFFFAOYSA-N 457.234 4.214 50 10 JIGE O=S(=O)(c1ccc(CCBr)s1)N1[C@H]2CCC[C@@H]1CN(Cc1ccccc1)C2 2234686058 LZDZSRAVHLANAE-HDICACEKSA-N 469.470 4.113 50 10 JIGE CCCOc1ccc(C=NNC(=O)c2ccc3nc(-c4ccccc4O)[nH]c3c2)cc1[N+](=O)[O-] 2323739810 QKNUYMPSVAIYOF-UHFFFAOYSA-N 459.462 4.396 50 10 JIGE COc1ccc2[nH]cc(C=NNC(=O)Cn3cnc4scc(-c5ccc(C)cc5)c4c3=O)c2c1 2325904584 BQYBRJLJELFMAQ-UHFFFAOYSA-N 471.542 4.074 50 10 JIGE Cc1cc(C)cc(OCC(=O)NNC(=S)NC(=O)c2ccc(C(C)(C)C)c(Br)c2)c1 13981152 HGGWQYFJKJUGFD-UHFFFAOYSA-N 492.439 4.078 50 10 JIGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccccc2Cl)cc1 14026855 MBDJAOJVXAJGMO-INIZCTEOSA-N 451.910 4.129 50 10 JIGE N#C/C(C(N)=O)=C1\S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(Cl)cc1 34704248 HZQYEAQYHBMSAG-DAMBIUFKSA-N 462.756 4.014 50 10 JIGE CCOC(=O)C1=C(c2ccc(OC)cc2)OC(N)=C(C#N)[C@@H]1c1ccc(Br)cc1 35576433 GNYXHHAAHKBJGL-SFHVURJKSA-N 455.308 4.240 50 10 JIGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cc(OC)ccc2OC)cc1 38659929 DMPOWESUADYDAW-MHZLTWQESA-N 486.524 4.469 50 10 JIGE Cc1c(C(=O)Nc2ccncc2)oc2c1/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 40813426 FGVLEYYBXNHUEQ-WGOQTCKBSA-N 467.869 4.267 50 10 JIGE COc1ccc(NCCCC(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)cc1 59507872 OSCALKMCOSTCLF-SSDVNMTOSA-N 485.176 4.268 50 10 JIGE COc1ccc(N2C(=O)[C@H](Cc3ccccc3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242250 GBRBLPCRMQRSAA-JSIHEXFSSA-N 459.527 4.031 50 10 JIGE COc1cc(C=NNC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)ccc1OC(C)C 254763144 WBEJYVPPTXHORX-UHFFFAOYSA-N 490.585 4.380 50 10 JIGE O=S(=O)(Nc1cccc(F)c1I)c1ccc(CBr)cc1 312455880 RYLNAMJWVUJFSG-UHFFFAOYSA-N 470.101 4.126 50 10 JIGE CCCOc1c(Br)cc(Br)cc1C=NNC(=O)CCN(CC)CC 916355232 GPKVHVOPSRPNTI-UHFFFAOYSA-N 463.214 4.182 50 10 JIGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2ccc(Cl)cc2)cc1)Nc1ccccc1Cl 1084449352 NPZRHOBWTCTGLE-UHFFFAOYSA-N 485.327 4.100 50 10 JIGE CC(=O)c1ccc(C(=O)NNc2nc3ccccc3c(=O)n2-c2ccc(C(C)C)cc2)cc1O 1586158870 AQQZXYBUEOHMOJ-UHFFFAOYSA-N 456.502 4.174 50 10 JIGE C=CCC1(NC(=O)CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CCOCC1 1632362583 FMLWHXXJQHEADC-UHFFFAOYSA-N 451.683 4.195 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(Cl)c2)[C@@H]1c1ccc(O)cc1O 1865680973 BJOOJDWTIJEBOR-MRXNPFEDSA-N 462.815 4.233 50 10 JIGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)cc2)cc1O 1865682610 SUNDLIQTTMEZGN-INIZCTEOSA-N 462.815 4.477 50 10 JIGE CC1(CBr)CN(S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)C1 2101059220 LDILUSBNKAIBTM-UHFFFAOYSA-N 451.995 4.161 50 10 JIGE C=CC[C@@H](CBr)CNS(=O)(=O)c1cc(Br)ccc1Br 2137398352 ZXOQOHZBTIMQCH-VIFPVBQESA-N 476.028 4.077 50 10 JIGE O=C(c1ccc(I)c(O)c1)N1CCC[C@H](CCBr)CC1 2149738128 DSDRSMPJZGTRRF-LLVKDONJSA-N 452.130 4.024 50 10 JIGE Cc1c(CBr)cc(Cl)cc1S(=O)(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 2179860984 AEINTZAYJJEIRQ-LJQANCHMSA-N 471.848 4.438 50 10 JIGE Cc1cc(C(=O)N2CC[C@H](CCBr)[C@@H](C)C2)ccc1I 2207106667 YOJZQXOXAFWOHB-STQMWFEESA-N 450.158 4.483 50 10 JIGE O=S(=O)(Cc1ncsc1Br)N(Cc1ccccc1)[C@@H](CBr)C1CC1 2213759932 XBXPZBDMWQLYMS-HNNXBMFYSA-N 494.274 4.411 50 10 JIGE O=C(c1cc(I)ccc1F)N1CCC[C@H](CCCBr)C1 2234190124 WQTYVIZNLLCNCX-NSHDSACASA-N 454.121 4.458 50 10 JIGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)c2ccc(-c3ccccc3)cc2)c(OC)c1 2314741217 WGNNGUBABFFASK-UHFFFAOYSA-N 456.498 4.251 50 10 JIGE CN(C[C@H]1C[C@H](Br)C1)[C@@H](CN)c1sc(Cl)cc1I 2318475462 YOIMIWPBDDSSRE-NRPADANISA-N 463.610 4.111 50 10 JIGE O=C(c1cc(I)ccc1Br)N1[C@H]2CC[C@@H]1[C@@H](CBr)C2 2329071802 SMKHMBCOZUJWEC-DFAYQTQMSA-N 498.984 4.442 50 10 JIGE Clc1ccc(CN2CCO[C@@H]3C[C@H](CBr)C[C@@H]32)cc1I 2362367613 DUKPXJUHQXQOGY-BYCMXARLSA-N 470.576 4.319 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1CCC(F)(F)[C@@H](CBr)C1 2365591851 JINWOMFOEHEJOQ-QMMMGPOBSA-N 478.502 4.437 50 10 JIGE Cc1sc2ncnc(N3CCC(C(=O)NNC(=O)c4ccc(C(C)(C)C)cc4)CC3)c2c1C 10372788 MNGRNZSMMXXKLK-UHFFFAOYSA-N 465.623 4.283 50 10 JIGE Cc1occc1C(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 12491009 GSLUABBXVNKPES-UHFFFAOYSA-N 482.128 4.106 50 10 JIGE CC(C)c1ccc(OCC(=O)NNC(=O)COc2ccc(Cl)cc2Cl)c(Br)c1 12580392 QSNLFPORCWIIQE-UHFFFAOYSA-N 490.181 4.485 50 10 JIGE O=C(Cc1ccccc1)NNC(=O)c1ccc(OCCc2ccccc2)c(Br)c1 14669683 GMMPAVDBWXMFJN-UHFFFAOYSA-N 453.336 4.074 50 10 JIGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc([N+](=O)[O-])c2)c1 38653784 SZIOZGQSBXLGNS-DEOSSOPVSA-N 457.442 4.106 50 10 JIGE O=C(COc1cccc(Cl)c1)N/N=C1\C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 40846365 QJJMWGUMEONFPV-QYQHSDTDSA-N 454.313 4.440 50 10 JIGE C=CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1=O 101231053 FANMUJWIXSUSCW-HYARGMPZSA-N 465.469 4.226 50 10 JIGE CC(=O)OCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)C1=O 101341183 RJLRAGRECIJZHQ-LPYMAVHISA-N 464.905 4.074 50 10 JIGE COc1ccc(C(=O)N/N=C2/C(=O)N(CN3C[C@@]4(C)C[C@H]3CC(C)(C)C4)c3ccccc32)cc1OC 101502202 DYTZIZSIBGBUAZ-RJTYYCOGSA-N 490.604 4.043 50 10 JIGE Cn1ccc(CC(CBr)(CBr)c2ccc(Br)cc2)n1 213145606 IMRCWHUFQAWTPF-UHFFFAOYSA-N 451.000 4.453 50 10 JIGE COc1ccccc1N1CCN(/C=C(/C#N)C(=O)NC(c2ccccc2)c2ccccc2)CC1 216978293 VWRROFLZHXEBBW-FLFQWRMESA-N 452.558 4.130 50 10 JIGE Cc1ccccc1C(=O)NN=C1C(=O)N(CN2CCCCCC2)c2ccc(Br)cc21 254384669 VMQFDXVKGYHNEY-UHFFFAOYSA-N 469.383 4.072 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@H]2C[C@@H](Br)C[C@H]1C2 709822557 ODWCSBKVODTDAV-JMJZKYOTSA-N 498.984 4.442 50 10 JIGE O=C(N[C@@H]1CCC[C@H]1Br)c1ccc(I)c(Br)c1 721574225 WSOLLYOLCVTRCV-LDYMZIIASA-N 472.946 4.100 50 10 JIGE N#CCCn1cc(/C=C(\C#N)C(=O)NNC(=O)c2c(Cl)cccc2Cl)c(-c2ccccc2)n1 727804401 BAFDVYWFXJGPKL-FOWTUZBSSA-N 479.327 4.139 50 10 JIGE C#Cc1cccc(NC(=O)CN(C)C(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(C)c3)c2C)c1 1350924528 UAAJOAQDYYUKDF-LFVJCYFKSA-N 450.542 4.388 50 10 JIGE C#Cc1cccc(N(CC(=O)NC)C(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3C)c2C)c1 1527172319 FIYJPAUONCAZAY-JLPGSUDCSA-N 450.542 4.070 50 10 JIGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(C(=O)O)cc1)C(C#N)=C(N)O2 1865708824 GULMFYPIWUVKMR-IBGZPJMESA-N 452.873 4.203 50 10 JIGE C[C@@]12CN(c3ncc(I)cc3Br)C[C@]1(CBr)C2 1909172687 RXJOQHYXRDPLLM-VXGBXAGGSA-N 471.962 4.060 50 10 JIGE O=C(CBr)c1cc(I)cc(OC(F)(F)F)c1OC(F)F 2060375656 DGFJVQMGFWBOFF-UHFFFAOYSA-N 474.945 4.369 50 10 JIGE Cc1cccc(Cn2nc(CBr)c(I)c2C(F)(F)F)c1O 2079245966 SQMYWCRWEAEJHA-UHFFFAOYSA-N 475.046 4.464 50 10 JIGE O=C(c1ccc(Br)cc1I)N(CCBr)C1CCC1 2086147902 UFRSGMKFUPNGGC-UHFFFAOYSA-N 486.973 4.443 50 10 JIGE CC1(CC(CBr)(CBr)c2cccc(Br)c2)CS(=O)(=O)C1 2153386449 OLYMREMNIKLYIA-UHFFFAOYSA-N 489.067 4.302 50 10 JIGE C[C@@H]1CN(S(=O)(=O)Cc2ccc(CBr)cc2)[C@H](C)CN1Cc1ccccc1 2179789384 PWGDKKJGKXIORQ-QZTJIDSGSA-N 451.430 4.006 50 10 JIGE C[C@@H]1[C@H](C(F)(F)F)N(CCCCCI)CCN1C(=O)OC(C)(C)C 2214708442 KHOMWFSEFCCZBO-CHWSQXEVSA-N 464.310 4.464 50 10 JIGE CC[C@@H]1[C@@H](Br)CCN1C(=O)c1cc(Br)ccc1I 2260380822 YBQONJAYQDXKTJ-CMPLNLGQSA-N 486.973 4.442 50 10 JIGE Brc1cc(Br)cc(C[C@H](Br)[C@H]2CCn3ncnc3C2)c1 2295345863 RQIKIADCRMQGFA-GWCFXTLKSA-N 463.999 4.372 50 10 JIGE COC(=O)c1c(NC(=O)C(C#N)=Cc2ccccc2OCc2ccccc2F)sc(C(N)=O)c1C 2295353422 XGHUJSQOYPKXGZ-UHFFFAOYSA-N 493.516 4.206 50 10 JIGE COc1ccc(C=C(C#N)C(=O)NCc2ccccn2)cc1COc1c(F)c(F)cc(F)c1F 2295635815 PFEWXAGGDFJZOI-UHFFFAOYSA-N 471.410 4.449 50 10 JIGE N#CC(=Cc1ccc2c(c1)OCO2)C(=O)OCC(=O)Nc1ccc(Cl)cc1C(F)(F)F 2297348623 QRNPJKQANTVYCH-UHFFFAOYSA-N 452.772 4.176 50 10 JIGE CC(C)c1ccc(OCC(=O)NNC(=O)C=Cc2ccc(Cl)cc2)c(Br)c1 2313864371 LAYJIQHOIOVSQD-UHFFFAOYSA-N 451.748 4.466 50 10 JIGE C=CCNC(=O)C(C#N)=C1S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(OCC)cc1 2314593645 QKYHEIKHKUMMOZ-NRFANRHFSA-N 467.978 4.467 50 10 JIGE CC(=O)OCCCN1C(=O)C(=Cc2ccc(OCc3ccccc3Cl)cc2)C(C)=C(C#N)C1=O 2314619530 ALORENFBQCHVPW-UHFFFAOYSA-N 478.932 4.464 50 10 JIGE COC(=O)c1ccc2c(O)nc(C(C#N)=Cc3ccc(OCC(=O)Nc4ccccc4)cc3)nc2c1 2331046417 UKVVNILJVVWLJG-UHFFFAOYSA-N 480.480 4.204 50 10 JIGE CC(C)CC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)C(c2ccccc2)c2ccccc2)cc1 13979035 QSOXUQJYOYNTHO-UHFFFAOYSA-N 488.613 4.139 50 10 JIGE COc1cc(/C=C(/C#N)c2ccccc2)ccc1OC(=O)CCN1C(=O)c2ccccc2C1=O 31901881 HYGRIBSFBCBYRK-HKWRFOASSA-N 452.466 4.351 50 10 JIGE CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccccc2[N+](=O)[O-])cc1OC 33669529 PTJYBAGZHDQDBZ-JYRVWZFOSA-N 493.257 4.152 50 10 JIGE CC1(C)CC(Nc2ncnc(NNC(=O)c3ccc(Cl)cc3Cl)c2[N+](=O)[O-])CC(C)(C)N1 40645229 TZBDMKJCGYRUHC-UHFFFAOYSA-N 482.372 4.170 50 10 JIGE COC(=O)c1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(C)cc2)CCC3)cc1 40804740 FDZUEZXUEVEDDX-VFCFBJKWSA-N 459.502 4.406 50 10 JIGE CCCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1 40948959 UJFRJKGOAADVMQ-XMHGGMMESA-N 480.546 4.427 50 10 JIGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OC)c(Br)c2)cc1 58893812 NBFOUEZAIWJTQL-OMMIQNFISA-N 469.763 4.474 50 10 JIGE Cc1nn2c(=O)cc(COc3ccc(/C=C(/C#N)C(=O)Nc4ccccc4)cc3Cl)nc2s1 96484358 UWWZRPNBCWDVBB-SXGWCWSVSA-N 477.933 4.238 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)NC[C@H](Br)C(C)C)cc1Br 126956196 SSSVIYOZGABEHR-NSHDSACASA-N 478.044 4.218 50 10 JIGE CCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccc([N+](=O)[O-])cc3)nc2-c2ccccc2)C1=O 214211016 UXHKZJCIOSGVSO-BKUYFWCQSA-N 453.458 4.060 50 10 JIGE CCOc1cc(/C=C2\C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1 214329886 XUSKCHFTHMJOHZ-MQXJPVLKSA-N 472.541 4.436 50 10 JIGE CC(=NNC(=O)[C@]1(C)CC1(Br)Br)c1ccc(Br)s1 254533372 RKHVUNGNLDQXRE-JTQLQIEISA-N 459.001 4.247 50 10 JIGE CC(C)(C)[Si](O[C@H]1C=CO[C@H](COC(=O)c2ccccc2)[C@@H]1O)(c1ccccc1)c1ccccc1 616588062 KHVKFQYBXKAWHO-OYUWMTPXSA-N 488.656 4.062 50 10 JIGE O=C(c1cccc(F)c1I)N1CCC(CCCBr)CC1 721695711 BIUJPOMZFXFAPU-UHFFFAOYSA-N 454.121 4.458 50 10 JIGE BrCc1cc(Br)c(OC[C@H]2C[C@@H]3COC[C@@H]3O2)c(Br)c1 724627666 IWMSBSRNQTVGRO-BREBYQMCSA-N 470.983 4.289 50 10 JIGE Cc1cc(C=NNC(=O)C(=O)NCc2ccc(Cl)cc2)c(C)n1-c1cccc(Br)c1 1083997430 VPNLLTKJNNSIQG-UHFFFAOYSA-N 487.785 4.277 50 10 JIGE O=C(/C=C/c1cn(Cc2ccccc2)nc1-c1cccnc1)NNC(=O)c1ccccc1Cl 1087766440 RMIXINOLHHJWRX-OUKQBFOZSA-N 457.921 4.121 50 10 JIGE C/C(=C\C(=O)NNc1ccc(S(=O)(=O)C(F)(F)F)cc1)c1ccccc1OC(F)F 1596866855 OMAAHNLJOSQCGB-ZHACJKMWSA-N 450.385 4.128 50 10 JIGE CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)c2ccc(-c3ccc4ccccc4c3)s2)cc1 1860405104 BAOVZLZQUHUSJS-UHFFFAOYSA-N 465.556 4.150 50 10 JIGE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1cc(OC)c(OC)cc1OC)C(C#N)=C(N)O2 1865712357 WJZZWRRNIPURCH-QFIPXVFZSA-N 480.952 4.391 50 10 JIGE Cc1ccc(-c2ccc(C(=O)NNC(=O)[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)c(C)n2)cc1C 1865756262 OQHNDELNUXVEAS-HXUWFJFHSA-N 466.582 4.082 50 10 JIGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](C)N3C(=O)c4ccccc4C3=O)n2)cc1OC 1872745269 FLZRFRCBZZRSKM-PWNVGIJBSA-N 461.499 4.305 50 10 JIGE O=C(c1csc(Br)c1Br)N1C[C@@H](Br)C[C@]2(CCCO2)C1 1924242304 PJZPZKDGQBHWDG-ISVAXAHUSA-N 488.039 4.432 50 10 JIGE O=C(N[C@@H](CBr)C(F)(F)F)c1cc(Cl)ccc1I 2029996953 UCKXGBFCJSFXCT-QMMMGPOBSA-N 456.427 4.000 50 10 JIGE O=C(c1csc(Br)c1Br)N1C[C@@H]2C[C@@H](CBr)[C@@H]2C1 2053982672 KYGDWCGYAQWZMY-FXQIFTODSA-N 458.013 4.376 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CC[C@@H]2[C@H](CBr)[C@H]2C1 2093133210 ALHJIIHTSHUPOL-VWYCJHECSA-N 498.984 4.157 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CC[C@H](Cl)C12CCC2 2142282464 DNOMDQLFPLYGMB-LBPRGKRZSA-N 454.533 4.430 50 10 JIGE C[C@H]1CN(C(=O)c2ccc(Br)cc2I)C[C@]1(C)CCl 2142290005 WYMYHWRNNSJBGT-XPTSAGLGSA-N 456.549 4.391 50 10 JIGE Cc1cccc(C(=O)N2CCC(C)(C)[C@H](CBr)C2)c1I 2148648797 CHMCFAPPXGTBPX-GFCCVEGCSA-N 450.158 4.483 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@@H]1C(C)(C)NS(=O)(=O)c1ccc(CBr)cc1 2162592474 UWAKPSARGZITRO-MRXNPFEDSA-N 461.422 4.038 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@@H](Br)C2(CCC2)C1 2165058180 RHOBHFZXGDPDBQ-GFCCVEGCSA-N 488.039 4.150 50 10 JIGE CCCN([C@H]1CCSC1)S(=O)(=O)c1cc(CBr)sc1Br 2179785972 SYTGYWGNIHWWNL-VIFPVBQESA-N 463.282 4.312 50 10 JIGE C[C@@]12CN(Cc3ccccc3)C[C@]1(C)CN(S(=O)(=O)c1csc(CBr)c1)C2 2179817413 PKHRVNWNWPALNS-BGYRXZFFSA-N 469.470 4.176 50 10 JIGE C[C@H]1[C@H](C)N(S(=O)(=O)c2cccc(CBr)c2)C[C@@H](C)N1Cc1ccccc1 2179817857 ZWDCRLBHIFNISQ-SQNIBIBYSA-N 451.430 4.254 50 10 JIGE Cc1ccc(I)c(C(=O)N2CCC([C@@H](F)CBr)CC2)c1 2240916124 UDSMXCSODAFMDD-ZDUSSCGKSA-N 454.121 4.185 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCNC(=O)C1(B2OC(C)(C)C(C)(C)O2)CCC1 2247910278 ODDQGHPRMWZQRK-UHFFFAOYSA-N 460.471 4.025 50 10 JIGE O=S1(=O)CC[C@@H]([C@H](Br)c2c(F)cc(Br)c(F)c2Br)C1 2272739005 JUUUZEKHIAUGNG-ANLVUFKYSA-N 482.966 4.361 50 10 JIGE CC(C)c1ccc(OCC(=O)NNC(=O)C=Cc2ccccc2Cl)c(Br)c1 2313625033 XIOGBIVZXCTISP-UHFFFAOYSA-N 451.748 4.466 50 10 JIGE COCCOc1ccc(C=C(C#N)C(=O)Nc2nc(C)c(C(=O)OCc3ccccc3)s2)cc1 2331123726 LNSSZUHUOLGAMS-UHFFFAOYSA-N 477.542 4.379 50 10 JIGE CC(C)(C)N(CCCBr)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338851798 HOPYMJZJJISDGV-UHFFFAOYSA-N 487.460 4.058 50 10 JIGE CC(C)(C)OC(=O)NC[C@@H]1CC[S@](=O)(=NC[C@]2(CBr)CC2(F)F)C1(C)C 2351886825 FDPBSKHBZIGZJE-GEFPVJRTSA-N 459.397 4.198 50 10 JIGE CC[C@H](C)c1ccccc1O[C@@H](C)C(=O)NNC(=O)COc1ccc(C)cc1Br 9872879 AUKFBHZDGZQZHU-HOTGVXAUSA-N 463.372 4.265 50 10 JIGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C\c2ccc(OC)cc2OC)c(OCC)c1 33727834 UQYXJRJVBFMAEU-CSKCXYSASA-N 451.475 4.191 50 10 JIGE Cc1c(C(=O)N2CCOCC2)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 40822677 ZOHRUNQSGBBQMN-XAYXJRQQSA-N 457.530 4.198 50 10 JIGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)N/N=C(\C)c1ccc(N)cc1 59260843 BHLJZBKWVCZQNS-RDRPBHBLSA-N 485.617 4.444 50 10 JIGE COc1ccc(C(=O)N/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)cc1OC 59410729 KRVPWYIDUZTXRW-ZMOGYAJESA-N 496.432 4.085 50 10 JIGE CCCCOc1ccc(/C=N/NC(=O)CN(c2ccc3c4c(cccc24)CC3)S(C)(=O)=O)cc1 59463994 KOWQHDOFKSICSE-WPWMEQJKSA-N 479.602 4.034 50 10 JIGE COc1ccc(C=NNC(=O)COc2c(Br)cc(C)cc2Br)c(OC)c1 252629108 TYRFABNLRJYPBQ-UHFFFAOYSA-N 486.160 4.066 50 10 JIGE CCc1ccc2c(c1)C(=NNC(=O)c1c(-c3ccccc3)nc3n(C)c4ccccc4n13)C(=O)N2C 254612769 XCFAQZGBSYNAFD-UHFFFAOYSA-N 476.540 4.166 50 10 JIGE N#CCCn1cc(/C=C(/C#N)C(=O)OCC(=O)NC2CCCCCC2)c(-c2ccc(Cl)cc2)n1 782092552 GTVQUJWUSWBEFR-RGEXLXHISA-N 479.968 4.406 50 10 JIGE O=C(CSc1nc2ccccc2s1)NN=Cc1cc(Br)c(N2CCCC2)o1 1084010349 CBFFNMHDNQRPRT-UHFFFAOYSA-N 465.398 4.494 50 10 JIGE COc1cc(OC)cc(C(=O)N2CCC(C(=O)NN=Cc3cccc(Cl)c3Cl)CC2)c1 1084514004 MLPSMTFRKVVURH-UHFFFAOYSA-N 464.349 4.013 50 10 JIGE CC[C@@H](Br)C(=O)Nc1nc2ccc(S(=O)(=O)NC3CCCCC3)cc2s1 1859525564 SEJJNLLGSGUFKX-CYBMUJFWSA-N 460.419 4.019 50 10 JIGE C[C@@H](Cl)[C@H](NC(=O)c1cc(I)ccc1Br)C(F)(F)F 1882673313 FMIVVKSLVXVWDG-ANLVUFKYSA-N 470.454 4.342 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@H]2CC[C@@]2(CBr)C1 1903892289 XBASEFDUYBIGLL-QMTHXVAHSA-N 498.984 4.301 50 10 JIGE BrC[C@H](NCc1ccc(I)c(Br)c1)C1CC1 1904340295 XQHGOMBNTILYMJ-LBPRGKRZSA-N 458.963 4.317 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CN(C(=O)OC(C)(C)C)[C@]2(CCCOC2)C1 2061262899 WDEPBAXUNLNEGJ-HTAPYJJXSA-N 491.720 4.041 50 10 JIGE CCc1cncc(-n2nc(CBr)c(I)c2C(F)(F)F)c1 2078932740 NSHQFOCPTUKIHH-UHFFFAOYSA-N 460.035 4.348 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@H]2C[C@H]1CC[C@@H]2Br 2088643478 HSYQXKZSJCFSAG-MXWKQRLJSA-N 498.984 4.442 50 10 JIGE O=C(c1cc(Br)c(Br)s1)N1[C@H](CBr)C[C@H]2OCC[C@H]21 2090529101 AXFDYQXYYAEQEZ-NBEYISGCSA-N 474.012 4.040 50 10 JIGE O=C(c1cc(Br)sc1Br)N1[C@H](CBr)C[C@H]2OCC[C@H]21 2090530739 MRSDXRLRPTYSHA-NBEYISGCSA-N 474.012 4.040 50 10 JIGE O=C(c1csc(Br)c1Br)N1CCC(OCCBr)CC1 2093946980 MVJYGBIWHOPNQS-UHFFFAOYSA-N 476.028 4.289 50 10 JIGE O=C(N[C@@H]1C[C@H]2C[C@H]1C[C@@H]2Br)c1cc(Cl)ccc1I 2104409962 BREUYECUIWEGBU-AOOGTALZSA-N 454.533 4.236 50 10 JIGE O=S(=O)(c1cc(CBr)ccc1Br)N1CCC(=CBr)C1 2123272347 YYPKKJPHZAYITD-UHFFFAOYSA-N 474.012 4.017 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@H]2C[C@H](Cl)C[C@H]2C1 2128655556 VTJWWZNTEFMTJO-MYJAWHEDSA-N 454.533 4.143 50 10 JIGE C[C@@]1(CBr)COCCN(C(=O)c2cc(Br)c(Br)s2)C1 2135078500 UAONEINYJBFNPM-LBPRGKRZSA-N 476.028 4.147 50 10 JIGE O=C(N[C@@H]1COC2(CCC2)[C@H]1Br)c1csc(Br)c1Br 2141536441 JBQWMQLVZSOWNF-APPZFPTMSA-N 474.012 4.088 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C2CCC1(CCl)CC2 2142276568 FHKNUBZWDLCPQT-UHFFFAOYSA-N 454.533 4.430 50 10 JIGE O=C(NC[C@H](Cl)CC(F)(F)F)c1ccc(Br)cc1I 2142292502 UXKFHMOYKNDAHT-SSDOTTSWSA-N 470.454 4.343 50 10 JIGE CC(C)(C)OC(=O)N1CCCCC[C@@H]1CNS(=O)(=O)c1ccc(CBr)cc1 2162588472 GKFWGKHJKANBKJ-MRXNPFEDSA-N 461.422 4.040 50 10 JIGE O=C(N[C@H]1COC2(CCN(C(=O)OCc3ccccc3)CC2)C1)[C@@H](Br)C1CCCC1 2167033440 RJNLOZROYYDDMX-UXHICEINSA-N 479.415 4.017 50 10 JIGE CC(F)(F)C[C@@H](CBr)NS(=O)(=O)c1c(Cl)cccc1Br 2169537129 FUTVCZRAOLKUPX-ZETCQYMHSA-N 455.546 4.190 50 10 JIGE Cc1sc(C)c(S(=O)(=O)N[C@@H](CBr)CC(C)(F)F)c1Br 2169538616 VQRXWBOCQWYLPL-MRVPVSSYSA-N 455.184 4.215 50 10 JIGE Cc1cc(S(=O)(=O)N2C[C@@H](C)N(Cc3ccccc3)C[C@@H]2C)ccc1CBr 2179785794 QTXHNYSYGIREII-MSOLQXFVSA-N 451.430 4.173 50 10 JIGE FC(F)([C@H]1CCOC1)[C@@H](Br)c1cc(I)cc2c1OCC2 2185253281 FGRNURHNWHGPCZ-ZANVPECISA-N 459.068 4.334 50 10 JIGE Cn1cc([C@@H](Br)c2ccc3c(c2Br)CCO3)c(Br)n1 2229739762 RPIPTZUKBZYZQI-LBPRGKRZSA-N 450.956 4.364 50 10 JIGE O=C(N[C@H]1C[C@@H]([C@H](F)CBr)C1)c1ccc(Cl)c(I)c1 2268345876 GXVKVAVMQNROQA-WCABBAIRSA-N 460.512 4.186 50 10 JIGE O=C(c1c(F)cccc1I)N1CCC[C@H](CCBr)CC1 2282806591 MWUKQCJXCXBRQY-LLVKDONJSA-N 454.121 4.458 50 10 JIGE O=C(Cc1ccccc1)NN=Cc1cc(Br)ccc1OC(=O)C=Cc1ccco1 2294064425 WWYLOMSANAEAHC-UHFFFAOYSA-N 453.292 4.354 50 10 JIGE Cc1c(Cl)cccc1NC(=O)C(C#N)=Cc1cn(CC(=O)N2CCOCC2)c2ccccc12 2294175285 SZPNLLBLADEFBL-UHFFFAOYSA-N 462.937 4.008 50 10 JIGE CCOc1ccc(-n2c(C)cc(C=C(C#N)C(=O)OCC(=O)Nc3ccc4c(c3)OCO4)c2C)cc1 2297335590 YIEYJEKAEMGBSQ-UHFFFAOYSA-N 487.512 4.310 50 10 JIGE COc1ccc(C=C(C#N)C(=O)N[C@H]2CCCc3c2c(C)nn3Cc2ccccc2)cc1OC 2329700990 IYJCSYYBDIJTCN-QFIPXVFZSA-N 456.546 4.358 50 10 JIGE Clc1ccc(CN2[C@H](CBr)C[C@@H]3OCC[C@H]32)c(I)c1 2341032776 PDHFWANYOTZJHC-YUTCNCBUSA-N 456.549 4.071 50 10 JIGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1C[C@@H]2C[C@H](Br)[C@H]1C2 2355624128 ONUCPZNOWFENBF-CDOJRTKCSA-N 464.006 4.302 50 10 JIGE Cc1ncnc(N2C[C@H](C(C)(C)C)C[C@@H](CBr)C2)c1I 2365433616 WLTMTEYZAOZMPP-NWDGAFQWSA-N 452.178 4.273 50 10 JIGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)S(=O)(=O)c2ccccc2)cc1 2441775 XKYVYNVZFUYDGH-QNGOZBTKSA-N 457.511 4.442 50 10 JIGE Cc1ccc(O[C@H](C)C(=O)NNC(=O)[C@@H](C)Oc2c(C)cc(Br)cc2C)cc1C 10153120 XAJPRYWXIMEDTJ-IAGOWNOFSA-N 463.372 4.065 50 10 JIGE CC[C@@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)COc2cc(C)ccc2C(C)C)cc1 10295742 WDHAUQZBZMKUNN-QGZVFWFLSA-N 457.596 4.010 50 10 JIGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(C(C)C)cc2)cc1 10453128 GTSPQPTUJSILNX-UHFFFAOYSA-N 474.586 4.320 50 10 JIGE CCOC(=O)COc1ccccc1/C=N/NC(=O)/C(=C/C=C/c1ccccc1)NC(=O)c1ccccc1 15015374 ZJBGTTVLMLHJHC-GYQJSCLGSA-N 497.551 4.106 50 10 JIGE CCCCc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)N3CCOCC3)N(c3ccccc3)C2=O)cc1 33928383 FHSIAKZGRVIHSA-FYAMCCBRSA-N 475.614 4.314 50 10 JIGE O=C(NNc1ncnc(N2CCC(Cc3ccccc3)CC2)c1[N+](=O)[O-])c1ccccc1Cl 40611768 UOXVYBBMXRISBM-UHFFFAOYSA-N 466.929 4.254 50 10 JIGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(CC)cc1 40929379 HPEWSEUHHOVEGP-KGENOOAVSA-N 474.513 4.448 50 10 JIGE Cc1cc(/C=C(/C#N)C(=O)NCc2ccccc2Cn2cncn2)c(C)n1-c1ccc(F)cc1 58263975 VAVYRPZDXWSDJJ-FMCGGJTJSA-N 454.509 4.096 50 10 JIGE CCN(CC)c1ccc(C=NNC(=O)Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(OC)c1 254456732 BZHFLZQLRZAPHH-UHFFFAOYSA-N 452.433 4.161 50 10 JIGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(C)o3)n2-c2ccc(OC)cc2)cc1 254614998 LVKDMGUQJLAHPS-UHFFFAOYSA-N 477.546 4.095 50 10 JIGE Cc1cc(-n2cnc(I)c2I)ccc1CCl 380887803 KMAXQWRBLLXKLG-UHFFFAOYSA-N 458.468 4.129 50 10 JIGE CC(=O)O[C@](C)(CBr)C(=O)[C@H](Br)[C@@H](Br)c1ccccc1 575448796 HJINCWAXZPNGLV-OUCADQQQSA-N 470.983 4.172 50 10 JIGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)COc1ccc(N(C)S(=O)(=O)c2cccs2)cc1 746185854 ZVLPHXHNOQERFU-UHFFFAOYSA-N 488.543 4.194 50 10 JIGE CSc1ccc(C=NNC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)cc1 1084062847 PGYCMWYNJIORSW-UHFFFAOYSA-N 453.589 4.139 50 10 JIGE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1cc2c(s1)CCCCCC2 1160397876 BIUYNHYZILPIQK-OAHLLOKOSA-N 456.008 4.204 50 10 JIGE COc1cc(Br)ccc1CNCCSSCCNC(=O)OC(C)(C)C 2061265257 YJMDZVYLQOEXQL-UHFFFAOYSA-N 451.452 4.453 50 10 JIGE CN(C(=O)c1ccccc1I)C1(CBr)CCSCC1 2114717940 XRHWLNYQCFQAOV-UHFFFAOYSA-N 454.171 4.024 50 10 JIGE O=S(=O)(N[C@H](CBr)C(F)(F)F)c1c(Cl)cc(Br)cc1Cl 2146606558 JIYCYSPVHPYWHE-SSDOTTSWSA-N 479.927 4.360 50 10 JIGE O=C(NCC1(F)CCC(CBr)CC1)c1ccc(I)cc1 2178581659 USNHVKJPHZHWKC-UHFFFAOYSA-N 454.121 4.314 50 10 JIGE C[C@H]1C[C@H](N(C)S(=O)(=O)Cc2ccc(CBr)cc2)CN1Cc1ccccc1 2179792159 CAAJDBSLKTXKAM-UWJYYQICSA-N 451.430 4.006 50 10 JIGE Cc1oc(CBr)cc1S(=O)(=O)N1CCN(Cc2ccccc2)[C@@H](C(C)C)C1 2179809388 TUMACYAABVKUON-LJQANCHMSA-N 455.418 4.014 50 10 JIGE CC1(C)CCCN(C(=O)c2cc(I)ccc2F)[C@@H]1CBr 2185806320 WLFQXOIVJQBMPV-CYBMUJFWSA-N 454.121 4.456 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@](CBr)(O[C@@H]2CCN(Cc3ccccc3)C2)C1 2242051814 YZXUAJLBYMQLJW-DENIHFKCSA-N 453.421 4.442 50 10 JIGE O=C(c1c(F)cccc1I)N1C[C@H](CBr)C2(CCC2)C1 2282810866 XMHJKINKQUENJI-JTQLQIEISA-N 452.105 4.068 50 10 JIGE C[C@H](Br)CN(CC(C)(C)C)C(=O)Cc1ccccc1I 2288063798 VADSDMVMGKTRDS-LBPRGKRZSA-N 452.174 4.492 50 10 JIGE CCOC(O)=C(C#N)[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H](C(=O)Nc1ccccc1)[n+]1ccccc1 2313505998 CANNDDXDOICCNG-DHIUTWEWSA-O 459.482 4.176 50 10 JIGE CCOC1(CBr)CN(Cc2ccc(I)c(Br)c2)C1 2325204644 QNRGVOQSTDINRM-UHFFFAOYSA-N 488.989 4.040 50 10 JIGE CCN(CC)Cc1ccc(C=NNC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)cc1 2325903638 HRKSHDWDGHEHNA-UHFFFAOYSA-N 473.602 4.117 50 10 JIGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)Nc1cccc(CBr)c1 2338849532 JFSXSYLFYXEBOY-UHFFFAOYSA-N 479.396 4.180 50 10 JIGE O=S(=O)(NCC(F)(F)C(F)(F)CI)c1cc(Cl)sc1Cl 2361675673 WEOGMORDHZBCRW-UHFFFAOYSA-N 486.077 4.039 50 10 JIGE Clc1ccc(I)cc1CN1C[C@H]2OCCC[C@]2(CBr)C1 2380513612 UXMGRIQNIFVDEC-CABCVRRESA-N 470.576 4.321 50 10 JIGE CCOc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 1434134 POTYRRNMZAGGAR-AFUMVMLFSA-N 450.426 4.149 50 10 JIGE Cc1cc2c(c(=O)n1CCc1ccccc1)[C@H](c1ccccc1Br)C(C#N)=C(N)O2 2445119 ZFEGIFZJARDSNT-OAQYLSRUSA-N 462.347 4.380 50 10 JIGE Cc1cc2c(cc1Br)NC(=O)/C2=N\NC(=O)COc1ccc(-c2ccccc2)cc1 13982048 XCFLXQUCBDZNGT-UHFFFAOYSA-N 464.319 4.276 50 10 JIGE CC(=O)OCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)C1=O 38608820 FEFZRNZZLVVESN-BUVRLJJBSA-N 480.524 4.003 50 10 JIGE CCCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Cl)cc2)cc1 48571952 YKMQUKKUGCSRCM-MUFRIFMGSA-N 493.947 4.228 50 10 JIGE O=C(N/N=C1\CCS(=O)(=O)c2ccc(F)cc21)c1ccccc1OCc1ccc(Cl)cc1 96708517 BPTYTDOEGNYBOQ-LHLOQNFPSA-N 472.925 4.370 50 10 JIGE Cc1nn(C)c2c1nc(CCl)n2-c1cc(I)ccc1Br 383584810 JCZJLVVDTIZTPO-UHFFFAOYSA-N 465.520 4.173 50 10 JIGE CCOC(=O)C1CCC(NC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)CC1 749574321 DUPGIKNVEADPRF-RGEXLXHISA-N 479.968 4.262 50 10 JIGE CC(=O)c1ccc(Oc2ccc(C(=O)NNC(=O)c3cc(-c4ccc(C)cc4)[nH]n3)cc2)cc1 1596173082 BLDSETMUABKHGO-UHFFFAOYSA-N 454.486 4.455 50 10 JIGE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1sc(-c2ccccc2)nc1C 1618446986 GRFFJDUKICRBGP-QGZVFWFLSA-N 458.584 4.129 50 10 JIGE Cc1c(C(=O)NC(C)(C)C)oc2c1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772747363 NVPSPFLOKIYAFR-UHFFFAOYSA-N 459.362 4.106 50 10 JIGE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@H]2c1cc(Br)c(O)c(OC)c1 1865689404 RKNXZCPKROPINS-GOSISDBHSA-N 497.349 4.273 50 10 JIGE CCN(C[C@](C)(CI)O[C@H]1CCN2CCC[C@H]2C1)C(=O)OC(C)(C)C 2078758890 MMBGVYAPJCVDJI-BXWFABGCSA-N 466.404 4.081 50 10 JIGE Cc1cc(C(=O)NCCCCCCI)ccc1I 2086028105 DETURQQYXLJJEY-UHFFFAOYSA-N 471.120 4.325 50 10 JIGE O=S(=O)(C[C@H](Br)c1cc(Br)c(Cl)s1)N1CCCCC1 2115930781 PGCPFKLEYKWMRL-VIFPVBQESA-N 451.633 4.416 50 10 JIGE Cc1cc(S(=O)(=O)N(C)[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)sc1CBr 2123243724 NLXBQNIJZUJLIQ-WBVHZDCISA-N 457.459 4.235 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCNCc1ccc(Br)cc1[N+](=O)[O-] 2125292922 JKDJHVWKXKGZTI-UHFFFAOYSA-N 466.423 4.353 50 10 JIGE C[C@@](CBr)(NS(=O)(=O)c1ccc(Cl)c(Br)c1)C(F)(F)F 2161376236 OPKIUTNNDJZARY-VIFPVBQESA-N 459.509 4.097 50 10 JIGE CC1(C)OCCO[C@@H]1CO[C@H](CI)c1ccc(Br)cc1 2186963789 NSEDGQHIWIUNAR-ZIAGYGMSSA-N 455.130 4.136 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1[C@H]2CC[C@H]1[C@H](CBr)C2 2268351533 LSABQPWXAVBLMW-KWBADKCTSA-N 454.533 4.333 50 10 JIGE C[C@@H]1CCCN(C(=O)c2c(F)cccc2I)[C@H]1CCBr 2282808034 KLTJDNZFTWKPPC-MFKMUULPSA-N 454.121 4.456 50 10 JIGE COc1cc(C=C(C#N)C(=O)Nc2ccc(Br)cc2)cc(Cl)c1OCC(=O)O 2294171881 GUXCHPBORBRHNZ-UHFFFAOYSA-N 465.687 4.120 50 10 JIGE CC(=O)Oc1ccc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1Br 2297551405 IAUDVPBWCQLPHO-UHFFFAOYSA-N 464.659 4.482 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1[C@H]2CC[C@H]1[C@H](CBr)C2 2340066945 WLRJXWNUWUOCPY-FWDPORAESA-N 454.533 4.333 50 10 JIGE CC(C)(C)OC(=O)N[C@@]12CCC(F)(F)C[C@@H]1CN(C[C@H](Br)C(F)(F)F)C2 2344115722 MHJKYWSHZAXGQP-UHIISALHSA-N 451.274 4.327 50 10 JIGE C[C@H]1[C@H](C)N(S(=O)(=O)c2cc(Br)ccc2Br)CC[C@H]1Br 2370654654 BOJMBVHCWCPCOF-ATZCPNFKSA-N 490.055 4.394 50 10 JIGE FC1(F)C2(CC2)C12CC(CBr)(Cc1ncc(I)cn1)C2 2381619302 KDGNHMJZTSHGST-UHFFFAOYSA-N 455.084 4.214 50 10 JIGE COc1cc(OC)cc(C(=O)NNC(=O)c2ccc(SCc3cccc(F)c3)c([N+](=O)[O-])c2)c1 3020511 PWBNNGUXMCZSCL-UHFFFAOYSA-N 485.493 4.118 50 10 JIGE C[C@@H](Oc1ccccc1Cl)C(=O)NNC(=O)COc1ccc2ccccc2c1Br 14026808 AHXJPHZZTHJTBT-CYBMUJFWSA-N 477.742 4.249 50 10 JIGE Cc1cc(Br)cc(C)c1O[C@@H](C)C(=O)NNC(=O)COc1ccc(C(C)C)cc1 14643003 QNVOZEDHUYRWIB-INIZCTEOSA-N 463.372 4.183 50 10 JIGE N#C/C(=C1/C(=O)N(Cc2ccccc2)c2ccccc21)c1nnc(N2CCOCC2)n1-c1ccccc1 35225607 XUSUSWJLQQAANQ-LCUIJRPUSA-N 488.551 4.085 50 10 JIGE Cc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc([N+](=O)[O-])c1 38653563 MADXMIBQTMOVBG-XMMPIXPASA-N 457.442 4.106 50 10 JIGE O=C(NNc1ncnc(Nc2ccc(Cl)cc2Cl)c1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] 40650205 UVEGGFZGHKYTDN-UHFFFAOYSA-N 464.225 4.100 50 10 JIGE Nc1c(Br)cc(C(=O)C(Br)Br)cc1Br 72107876 OZKZGAXGNJJNCF-UHFFFAOYSA-N 450.750 4.092 50 10 JIGE CCOc1ccccc1N1CCN(CC(=O)/C(C#N)=C2\NC(c3ccc(Cl)cc3)=CS2)CC1 104377986 ZHYXAYTYDRFMRZ-LKUDQCMESA-N 481.021 4.500 50 10 JIGE CCCCOc1ccc(C=NNC(=O)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1 254571227 VBCPOTCWKOZOLB-UHFFFAOYSA-N 464.566 4.017 50 10 JIGE CCC(C)(C)C(=O)O[C@@H]1CC(C)=CC2=C[C@H](OO)[C@H](C)[C@H](CC[C@@H]3C[C@H](O)CC(=O)O3)[C@@H]21 255974614 GORLEWXBBZEXHV-MHLMGXNRSA-N 450.572 4.198 50 10 JIGE CC[C@H](Br)[C@@H](C)NC(=O)c1cc(Br)ccc1I 395384809 TWAQKNHWWRRNAH-XCBNKYQSSA-N 474.962 4.346 50 10 JIGE COc1cccc(C(C)=NNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(SC)cc2)c1 725443895 FPLCKDSCTISRRK-UHFFFAOYSA-N 497.642 4.461 50 10 JIGE COc1cc(-c2cc(C(=O)NN=Cc3cnn4ccccc34)c3ccccc3n2)cc(OC)c1OC 729632389 AQYSGLICGQGCNJ-UHFFFAOYSA-N 481.512 4.339 50 10 JIGE O=C(NN=C1C(=O)N(CCOc2ccccc2)c2ccccc21)c1cc(F)c(F)cc1Cl 1084274120 FXWSFMFJYDKPMA-UHFFFAOYSA-N 455.848 4.178 50 10 JIGE C=CC[C@H](NC(=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccncc1 1679026759 NHAMOIGFODLQOP-QHCPKHFHSA-N 452.518 4.196 50 10 JIGE Cc1ccc2c(c1)C(=NNC(=O)CCCCCNC(=O)c1ccccc1Cl)C(=O)N2CC(C)C 1772720173 FEPVLDFYPYTTFN-UHFFFAOYSA-N 483.012 4.462 50 10 JIGE Cc1c(C(=O)N2CCCc3ccccc32)oc2c1C(=NNC(=O)COc1ccccc1)CCC2 1772749972 TVXCVGYYOWEEID-UHFFFAOYSA-N 457.530 4.417 50 10 JIGE CC(=O)Nc1ccc(NC(=O)COc2cccnc2NC(=O)Nc2ccc(SC#N)cc2)cc1 1858835437 WXBXRJGXEVZJLN-UHFFFAOYSA-N 476.518 4.275 50 10 JIGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)CCc2ncc3ccccn23)cc1 1866894859 MZOKCFPYAHMNRN-HSZRJFAPSA-N 487.560 4.345 50 10 JIGE O=C(NC1CC([C@H](F)CBr)C1)c1ccc(I)c(Cl)c1 1906453734 RGWOGQPYDWOZPX-NWGYLPEXSA-N 460.512 4.186 50 10 JIGE C[C@H](CCCl)N(Cc1ccccc1)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1915078115 MJWBVPHYPQAYPQ-LJQANCHMSA-N 477.026 4.302 50 10 JIGE Br[C@@H]1C[C@@H]1[C@@H](Br)c1cc(I)cc2c1OCC2 1991401781 MZXLTBZTZVPPGI-JMJZKYOTSA-N 457.931 4.446 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1[C@@H]2C[C@H]3[C@@H](C2)CN(C(=O)OC(C)(C)C)[C@H]31 2010827144 MRPMCUQLCDLRTL-NNPSNHGLSA-N 473.705 4.126 50 10 JIGE CC1(C)C[C@H](Br)CN(c2ncc(I)cc2Br)C1 2015765500 OJCBCPGHXPUKRQ-QMMMGPOBSA-N 473.978 4.449 50 10 JIGE O=C(NCC1CC(CBr)C1)c1cc(I)ccc1Br 2049525910 KBEJZIKWHXLKIN-UHFFFAOYSA-N 486.973 4.205 50 10 JIGE O=S1(=O)C[C@H]2[C@@H](C1)[C@@H]2[C@H](Cl)c1c(Br)sc(Br)c1Cl 2054228816 ZWAZTVHTYHMCTH-OHKRPGQBSA-N 455.020 4.497 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1C[C@H]2C[C@H]1CC[C@@H]2Br 2088647317 SGCPLMXJQUVRNF-UISBYWKRSA-N 454.533 4.333 50 10 JIGE COCCN(C)C[C@H](Br)CCc1cc(Br)ccc1Br 2118524700 LZYQHPKGNHRABA-CYBMUJFWSA-N 458.032 4.486 50 10 JIGE O=S(=O)(c1ccc(CBr)cc1Br)N1CCC(=CBr)C1 2123272081 WKSWFQZNKAYDIT-UHFFFAOYSA-N 474.012 4.017 50 10 JIGE C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(F)c(CBr)c2)CN1Cc1ccccc1 2179791886 XWDVRZJKBDZEFM-CRAIPNDOSA-N 455.393 4.004 50 10 JIGE CN([C@@H]1CCCC1(F)F)S(=O)(=O)c1cc(CBr)sc1Br 2179795795 WKGPFZSIHFNYGU-SECBINFHSA-N 453.168 4.214 50 10 JIGE CCCn1cc(S(=O)(=O)N(C)C2CC(OCc3ccccc3)C2)cc1CBr 2179860896 ZGSXEULCOIGBSN-UHFFFAOYSA-N 455.418 4.161 50 10 JIGE CC(C)[S@@](=O)(=NCC1(CBr)CCOCC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2183217305 WXMSGBVHBKKNGE-JWIGPWBQSA-N 467.470 4.064 50 10 JIGE CCN(C[C@](C)(CI)O[C@@H]1CC[C@H]2[C@@H]1C2(F)F)C(=O)OC(C)(C)C 2216577076 NEUHJNMMEDQNHS-ZWUHOBOKSA-N 459.315 4.497 50 10 JIGE CCc1nn2c(=O)cc(COc3ccc(C=C(C#N)C(=O)Nc4ccc(C)cc4)cc3)nc2s1 2297350708 CGOOTRQLZJPSND-UHFFFAOYSA-N 471.542 4.147 50 10 JIGE CCOc1cc(C=NNC(=O)c2ccc(Nc3nc(O)c4ccccc4n3)cc2)ccc1OC 2323766588 VFKMNGHHXVUFNP-UHFFFAOYSA-N 457.490 4.250 50 10 JIGE N#CC(=C(O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1nc(-c2ccc3c(c2)OCO3)cs1 2331334977 ZCMRNIRLRAVOJM-UHFFFAOYSA-N 478.486 4.233 50 10 JIGE COc1ccc(-c2csc(C(C#N)=C(O)[C@@H](C)N3C(=O)c4ccccc4C3=O)n2)c(OC)c1 2331385887 QYEYLFKAFKPZSC-CYBMUJFWSA-N 461.499 4.305 50 10 JIGE O=C(N[C@H]1CC[C@@H]2C[C@]12CBr)c1ccc(Cl)cc1I 2340056103 CHKGIFFCGMPZNZ-CWONEXCFSA-N 454.533 4.238 50 10 JIGE Cc1ccc(C(=O)NNC(=O)c2ccc(OCc3ccccc3)cc2)cc1I 14027903 UYTGMSFYZSJAJV-UHFFFAOYSA-N 486.309 4.253 50 10 JIGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=O)c1cccc(OCCOc2ccccc2)c1 14040881 JTJWBDBRTWKXSM-FQEVSTJZSA-N 462.546 4.498 50 10 JIGE COc1ccc(-c2cc(C(=O)NN=Cc3ccc4c(c3)OCO4)c3ccccc3n2)c(OC)c1 15989764 FTCGMANTUWVKFZ-UHFFFAOYSA-N 455.470 4.412 50 10 JIGE aggregator COc1cc(OC)c(/C=N/NC(=O)CCC(=O)Nc2ccc(Cl)cc2C)cc1Br 20352513 UJXBWDZTTJHDPO-FOKLQQMPSA-N 482.762 4.297 50 10 JIGE COc1cc(/C=C(\C#N)C(N)=O)ccc1OC(=O)COc1ccc(Br)cc1C(C)(C)C 40879290 LHHPLXGGJIMHGF-OQLLNIDSSA-N 487.350 4.132 50 10 JIGE CCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(/C=C(\C#N)C(=O)NC(C)C)cc2OC)cc1 40884463 ITLNMHZLYINQHX-ZEXDNOMMSA-N 473.529 4.428 50 10 JIGE COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 40884544 VXAXDUPTOVKYML-CXUHLZMHSA-N 481.848 4.292 50 10 JIGE Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1/C=N/NC(=O)CSCc1ccccc1Cl 59157826 ZJOCZONUAGZLMN-FOKLQQMPSA-N 457.943 4.434 50 10 JIGE COc1ccc(OCCN/C=C(/C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 216504342 JKZKREWWVOIBNB-RWEWTDSWSA-N 496.611 4.005 50 10 JIGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\NCCc1ccccc1Cl 217254383 KIMPJJLEKDDVDB-QINSGFPZSA-N 465.722 4.431 50 10 JIGE CC(C)[C@H](CI)NC(=O)c1ccc(Br)cc1Br 232730577 ITHHQVWGNUEYIR-NSHDSACASA-N 474.962 4.401 50 10 JIGE COC(=O)c1ccc(C=NNC(=O)CSc2nnc(SCc3ccc(C)cc3)s2)cc1 254611987 KFGFSYMFMZYTIG-UHFFFAOYSA-N 472.617 4.168 50 10 JIGE COc1ccc(-n2c(SCC(=O)NN=C/C=C\c3ccccc3)nc3ccccc3c2=O)cc1 254615313 GJPMWYPIVWYRCA-JAGUFZAFSA-N 470.554 4.302 50 10 JIGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc(OC)c(OC)c3)cc2OC)cc1 254722442 YSBYVEHWULEVKU-UHFFFAOYSA-N 492.528 4.484 50 10 JIGE N#CSc1ccc(NC(=O)c2ccc(NC(=O)N3CCN(C(=O)c4ccco4)CC3)cc2)cc1 586666301 JDIFSTWLZRVZGJ-UHFFFAOYSA-N 475.530 4.095 50 10 JIGE C[C@@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2C(=O)c1ccc(F)cc1I 686181094 YKOFFKOKAHMGBM-QLXFMQRKSA-N 452.105 4.207 50 10 JIGE C[C@@H](OC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1)C(=O)NCc1ccccc1Cl 729344112 BDKWJPRHNFGFNG-MKYLKIGJSA-N 487.947 4.272 50 10 JIGE CCN(C(=O)COC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1)C1CCCCC1 761414261 GAVOTWLPOZUMBW-LTGZKZEYSA-N 459.550 4.095 50 10 JIGE CN(Cc1cccs1)C(=O)COC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1 782091955 ALBFEXPQRXAXMP-PDGQHHTCSA-N 493.976 4.287 50 10 JIGE COCc1cccc(CNC(=O)COC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(F)cc3)c2C)c1 918956762 DITLFCDRZWYBBW-QRVIBDJDSA-N 475.520 4.146 50 10 JIGE O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)NN=Cc1ccccc1O 1084052509 VXPDXOZYEXLVNY-UHFFFAOYSA-N 478.357 4.045 50 10 JIGE C=CC[C@H]1CCCN(C(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(OC)c(OC)c2)C1 1146474805 IIRYXFCCSXCLSC-ORTNRGLGSA-N 459.550 4.203 50 10 JIGE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NNC(=O)c1cc(-c2ccc(CC)cc2)[nH]n1 1633193750 QDJRBMLIKOMRDT-UHFFFAOYSA-N 458.440 4.298 50 10 JIGE CCCN(CCC)C(=O)COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3CCC)cc1OC 1865709091 NLTPEWHCHCDFQJ-XMMPIXPASA-N 495.624 4.110 50 10 JIGE O=S1(=O)CCC[C@@H]1[C@@H](Br)c1sc(Br)cc1Br 1922896131 CCLNHBRXSOWCSO-HTRCEHHLSA-N 453.015 4.286 50 10 JIGE C[C@H]1C[C@H](Br)CN(c2ncc(I)cc2Br)C1 1988533319 TVDYQYMYGJUOGR-YUMQZZPRSA-N 459.951 4.058 50 10 JIGE Cc1cccc(-n2c(C)nc(I)c2I)c1CCl 2020028401 PGMYMEFXSAONIC-UHFFFAOYSA-N 472.495 4.437 50 10 JIGE O=C(N[C@@H](CBr)C(F)(F)F)c1cccc(Br)c1Br 2031482540 TYGKFOURWDSIRS-ZETCQYMHSA-N 453.878 4.267 50 10 JIGE O=C(c1cc(Br)sc1Br)N1CC[C@@H]2[C@H](CBr)[C@H]2C1 2032223170 IAMAZYQAZHOVKF-YEPSODPASA-N 458.013 4.376 50 10 JIGE CCOC(=O)Cc1cc(CBr)c(I)c(C(F)(F)F)c1 2055273257 UAQWVPLNXYLPAN-UHFFFAOYSA-N 451.020 4.311 50 10 JIGE CCN(CC)S(=O)(=O)C[C@@H](Br)c1ccc(Br)cc1Br 2089399626 FFDLAHPVIOXWNW-GFCCVEGCSA-N 478.044 4.319 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H]2C[C@@H](CBr)[C@@H]2C1 2117683986 UHDJDBDKXJJUNG-DCAQKATOSA-N 498.984 4.157 50 10 JIGE CN1CCN(Cc2cccc(Br)c2Br)[C@@H](CCBr)C1 2138083006 MJHWFTOULOJYFW-LBPRGKRZSA-N 455.032 4.113 50 10 JIGE CCN1CCC[C@H]([C@H](Br)c2ccc(I)c(Cl)c2)S1(=O)=O 2145758644 KAQRBJZTZVQERH-CHWSQXEVSA-N 492.604 4.195 50 10 JIGE CC[C@H]1CC[C@@H](NS(=O)(=O)c2ccc(CBr)cc2)CN1C(=O)OC(C)(C)C 2162588372 FJBZJQRCAVMDGQ-CVEARBPZSA-N 461.422 4.038 50 10 JIGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CC[C@@H](CBr)C12CCC2 2190353985 MIKRYIMKOXFHQQ-QMMMGPOBSA-N 463.644 4.492 50 10 JIGE O=C(N[C@@H]1C[C@H]2CC[C@H]1[C@H](Br)C2)c1cc(I)ccc1F 2204566575 ZTJWAUHFSCYUSN-TWOBJEBXSA-N 452.105 4.112 50 10 JIGE COc1ccc([C@H](Br)[C@@H]2C[C@H](OC)[C@H](OC)C2)cc1I 2285007069 YTCRPMXPOWSJJD-PUPMMZHASA-N 455.130 4.176 50 10 JIGE O=C(NN=Cc1cc(Cl)cc(Cl)c1O)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2293665841 NSUHCHDTBMIGGS-UHFFFAOYSA-N 498.322 4.349 50 10 JIGE O=S(=O)(N[C@@H](CCBr)COCc1ccccc1)c1cccc(Br)c1 2303589905 OYJCIJHBCIJMCC-INIZCTEOSA-N 477.218 4.098 50 10 JIGE C=CCc1cc(C=C(C#N)C(=O)N(C)C)cc(Br)c1OCc1ccc(C(=O)O)cc1 2313567615 IXVBXGKZQGVLCK-UHFFFAOYSA-N 469.335 4.450 50 10 JIGE Brc1cc(I)cnc1N1C[C@H]2CC(Br)C[C@@H](C2)C1 2316856804 OKVNLOKJAXEUFH-RKDXNWHRSA-N 485.989 4.449 50 10 JIGE CCN1C(=O)COc2ccc(C(C)=NNC(=O)c3ccc(-c4ccc(F)c(F)c4)nc3C)cc21 2321260980 LKTXODKXSUAHQO-UHFFFAOYSA-N 464.472 4.235 50 10 JIGE O=C(c1cccc(Br)c1Br)N1C[C@H]2CC[C@@H](Br)[C@H]2C1 2328747514 RKCFWXXSFJJUOK-DVVUODLYSA-N 451.984 4.457 50 10 JIGE COc1ccc(-c2csc(C(C#N)=C(O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)cc1C 2331260379 ZFWKEGDYUZGDKT-UHFFFAOYSA-N 476.470 4.124 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1C[C@H]2CC[C@H]1[C@H](Br)C2 2349948480 OJJHPKQCODQPNG-KDDOJWQBSA-N 454.533 4.333 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@H]2CC[C@H]1[C@@H](Br)C2 2349958549 CHIPIBAVCVFMBW-QWRKXWFKSA-N 498.984 4.442 50 10 JIGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC1(CCCl)CCCCC1 2364204251 CNPAXSHPZSZHTK-UHFFFAOYSA-N 455.020 4.094 50 10 JIGE COc1cccc2cc(-c3nc4ccccc4[nH]3)/c(=N\NC(=O)c3ccc([N+](=O)[O-])cc3)oc12 1505904 YMFGXPQIJOOIHT-ZZIIXHQDSA-N 455.430 4.139 50 10 JIGE C=CCn1c(SCC(=O)N/N=C/c2ccco2)nc2scc(-c3ccccc3)c2c1=O 9041505 KUCGUJPKURBNCS-FSJBWODESA-N 450.545 4.146 50 10 JIGE Cc1c(Cl)cccc1Nc1ncnc(NNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1[N+](=O)[O-] 40588519 CSRKWOBTBQFTRZ-UHFFFAOYSA-N 478.252 4.409 50 10 JIGE COC[C@@H](C)NC(=O)c1oc2c(c1C)/C(=N/NC(=O)Cc1coc3c(C)c(C)ccc13)CCC2 40826568 RFRSFSNPULKIPO-WVZIWNLSSA-N 465.550 4.115 50 10 JIGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2cc(C)c(Cl)c(C)c2)cc1 40991466 DLBSOJSSTBZXQB-HMMYKYKNSA-N 470.953 4.391 50 10 JIGE COc1cc(/C=N/NC(=O)c2ccc(Br)cc2)ccc1OCC(=O)Nc1ccccc1 59445009 GUYWWBMSDNLHGA-AFUMVMLFSA-N 482.334 4.239 50 10 JIGE C=CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c([N+](=O)[O-])c2)C1=O 101231002 TUZYUBQBLAGPFZ-FYJGNVAPSA-N 495.495 4.234 50 10 JIGE CCC(=NNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(OC)cc1)c1ccc(O)cc1 254873854 JXDJMAFGRQDANH-UHFFFAOYSA-N 488.569 4.123 50 10 JIGE ClCc1c(I)cc(Br)cc1I 575687045 RRUZLUYBMOZFLE-UHFFFAOYSA-N 457.274 4.397 50 10 JIGE CN(C(C)(C)CCBr)S(=O)(=O)c1cc(Br)ccc1Br 688318242 GCUZYXBUBRRKNG-UHFFFAOYSA-N 478.044 4.396 50 10 JIGE FC(F)(F)c1cnc(N2CCS[C@@H](CCBr)C2)c(I)c1 719979585 OZJRUNMNBJCGDU-VIFPVBQESA-N 481.119 4.412 50 10 JIGE CN(Cc1ccn(-c2ccccc2)n1)C(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1 918647367 DDAMDPYGZZABPX-OQKWZONESA-N 461.529 4.215 50 10 JIGE Cc1ccc(S(=O)(=O)Oc2ccc(C=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc2)cc1 1084069283 FFYWOVYXPNPNKO-UHFFFAOYSA-N 486.365 4.046 50 10 JIGE COc1ccc(/C(C#N)=C/c2cccc(OC(=O)CCN3C(=O)c4ccccc4C3=O)c2)cc1OC 1615066696 KKZBSHVDBWHLGW-XSFVSMFZSA-N 482.492 4.360 50 10 JIGE COc1ccc(NC(=O)COc2cccnc2NC(=O)Nc2ccc(SC#N)cc2)c([N+](=O)[O-])c1 1858832852 QWCNRHCYOJHNRH-UHFFFAOYSA-N 494.489 4.233 50 10 JIGE CCCc1nn(CC(C)C)c2c1[C@@H](c1cc(Br)cc(OC)c1O)C(C#N)=C(N)O2 1865696044 JVFKNWILRMPBGD-KRWDZBQOSA-N 461.360 4.186 50 10 JIGE CCCc1nn(CC)c2c1[C@@H](c1cc(Br)c(OCC)c(OC)c1)C(C#N)=C(N)O2 1865697698 ZSQWAFMMIWNRPN-KRWDZBQOSA-N 461.360 4.243 50 10 JIGE C[P@@]1(=O)C[C@H](NC(=O)c2ccc(Br)cc2Br)[C@@H](Br)C1 2121336062 DSPBOIFWRQAHLU-ADWYPQAOSA-N 473.927 4.080 50 10 JIGE Cc1c(Br)ccc([C@@H](Br)[C@H]2[C@H]3CS(=O)(=O)C[C@H]32)c1Br 2138876536 QKFLFRFXUNCAOI-INTNWOOBSA-N 473.024 4.247 50 10 JIGE C[C@]1(CCBr)CCN1S(=O)(=O)c1cc(Br)ccc1Br 2140571594 ANTCAYSOKXDHEC-LBPRGKRZSA-N 476.028 4.150 50 10 JIGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CCC2(CC1)C[C@H]2CBr 2148909829 MQKVAZRGFGLSHX-QMMMGPOBSA-N 463.644 4.350 50 10 JIGE CC(C)[C@@H]1CN(S(=O)(=O)c2cccc(CBr)c2)CCN1Cc1ccccc1 2179821407 KDOQLUBHTIYYHT-NRFANRHFSA-N 451.430 4.113 50 10 JIGE CN([C@@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@@H]21)S(=O)(=O)c1occc1CBr 2190547861 OWWVMBCXLZLNEH-ZSYWTGECSA-N 454.386 4.179 50 10 JIGE Cc1cc(CBr)cc(S(=O)(=O)N(C)C[C@@H]2C[C@H]2Br)c1Br 2196934079 DGVWGINSNMTXMT-WDEREUQCSA-N 490.055 4.056 50 10 JIGE C[C@H](CCCCCI)NS(=O)(=O)c1ccc(F)c(Br)c1 2240912177 XWNVPRUYSGXSTG-SNVBAGLBSA-N 478.165 4.250 50 10 JIGE N#CC(=C(O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 2331236727 YVVIBLNPHJSBLG-UHFFFAOYSA-N 491.441 4.105 50 10 JIGE BrC1CCC2(CC1)CN(Cc1sccc1I)CCO2 2338759264 WVBCRAKFPKOKOO-UHFFFAOYSA-N 456.187 4.261 50 10 JIGE COC1CC2(CC(CO[C@]3(CI)CCCN(C(=O)OC(C)(C)C)C3)C2)C1 2353043472 JOXRGIKQMRMTIH-RTJZXMOCSA-N 479.399 4.413 50 10 JIGE Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)NCCc2ccccc2)cc1 2400879 LQUGLNVWWQVYJL-FXBPSFAMSA-N 450.498 4.061 50 10 JIGE C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NNC(=O)COc1cccc2ccccc12 14644385 YIPMPXDPWANRHK-ZDUSSCGKSA-N 477.742 4.249 50 10 JIGE CNC(=O)/C(C#N)=C1/S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(F)cc1 33733247 GUFHXJKKMLOAOK-TYSUYXETSA-N 450.322 4.305 50 10 JIGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)c1 38700988 QWZJRPWWZAXRCO-CLJLJLNGSA-N 484.508 4.439 50 10 JIGE COc1ccc(/C=C(/C#N)C(=O)NCc2cccnc2)cc1COc1ccc([N+](=O)[O-])c(C)c1 98063438 MFCVXTCPBFUIIE-JAIQZWGSSA-N 458.474 4.109 50 10 JIGE O=S(=O)(NC1(CBr)CCCC1)c1cc(Br)ccc1Br 136923276 VZYMNFNXPXJOOI-UHFFFAOYSA-N 476.028 4.198 50 10 JIGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccccc3F)n2-c2ccccc2)cc1OC 254303938 OILFFCNIRGYNJS-UHFFFAOYSA-N 491.548 4.333 50 10 JIGE Cc1cc(C(C)(C)C)ccc1OCC(=O)NN=C1C(=O)N(C)c2c(C)cc(Br)cc21 254835746 PALASGABBLZLCG-UHFFFAOYSA-N 472.383 4.239 50 10 JIGE CC[C@H](Br)[C@H](C)NC(=O)c1cc(Br)ccc1I 395385056 TWAQKNHWWRRNAH-XVKPBYJWSA-N 474.962 4.346 50 10 JIGE CCN(C[C@](C)(CI)O[C@H]1CCC[C@@H](OC)C1)C(=O)OC(C)(C)C 686727380 GVGHYRFQWJOXQE-VKJFTORMSA-N 455.377 4.411 50 10 JIGE O=C(Cn1ccc2ccccc21)NNC(=O)c1cccnc1Oc1ccc(F)cc1Br 729454436 TYBMLRRQFQDSGD-UHFFFAOYSA-N 483.297 4.191 50 10 JIGE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)NNC(=O)c2ccoc2)ccc1Cl 747184750 VKJYZGJJEQJZPN-UHFFFAOYSA-N 494.356 4.043 50 10 JIGE CC(=O)Nc1ccc(NC(=O)COC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(F)cc3)c2C)cc1 786605553 IAYSSEJPRJHNBJ-MOSHPQCFSA-N 474.492 4.281 50 10 JIGE CCn1c(NNC(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccccc2)nc2ccccc2c1=O 1087485820 NTJSQBPHQXURQG-ISLYRVAYSA-N 476.540 4.426 50 10 JIGE C#CCn1cc(CNC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)cn1 1156662119 XPHWMQISUWUKJV-KEBDBYFISA-N 451.452 4.166 50 10 JIGE CC(=O)N(Cc1ccc(NC(=O)NNC(=O)c2cc3c(s2)CCCCCC3)cc1)C1CC1 1669248261 WGPJAAUVJLHTFJ-UHFFFAOYSA-N 454.596 4.385 50 10 JIGE COc1cc(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)c1O 1865697238 YDUDFXITMDERMZ-IBGZPJMESA-N 467.323 4.184 50 10 JIGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N(Cc1ccccc1)C1(CCl)CCC1 1915768159 IOUFTBSPUYGEHR-UHFFFAOYSA-N 489.037 4.446 50 10 JIGE O=C(N[C@H](CCBr)C(F)F)c1scc(Br)c1Br 1918521480 JLZVZZJPFMEJBW-RXMQYKEDSA-N 455.944 4.422 50 10 JIGE CC(C)(C)OC(=O)N1CC(N(Cc2ccccc2)S(=O)(=O)c2ccc(CCl)cc2)C1 1977938213 RHGRGIUCFPQBCR-UHFFFAOYSA-N 450.988 4.236 50 10 JIGE C[C@H]1[C@@H](C)N(Cc2ccccc2)[C@H](C)CN1S(=O)(=O)c1ccc(CBr)s1 2123228968 GWBPAJJZUKUHOG-OAGGEKHMSA-N 457.459 4.315 50 10 JIGE CCCCOCCOCCO[C@](C)(CI)CN(CC)C(=O)OC(C)(C)C 2124821992 CKMRHTVFZNITLA-LJQANCHMSA-N 487.419 4.287 50 10 JIGE Cc1cc(C(=O)NC[C@@H](Br)CC(F)(F)F)ccc1I 2142144674 QIXCFSRZXHABNF-VIFPVBQESA-N 450.036 4.045 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@H]1C(C)(C)NS(=O)(=O)c1ccc(CBr)cc1 2162592473 UWAKPSARGZITRO-INIZCTEOSA-N 461.422 4.038 50 10 JIGE O=C(c1cc(I)ccc1F)N1CC[C@@]2(CCC[C@H]2Br)C1 2169667090 YBQBIHKWTVYFDI-HIFRSBDPSA-N 452.105 4.210 50 10 JIGE O=C(c1cccc(Br)c1Br)N1CCC[C@H](OCCBr)C1 2170227340 ZAYZMWHRWFUVRC-JTQLQIEISA-N 469.999 4.228 50 10 JIGE Cc1sc(CBr)cc1S(=O)(=O)N1CCN(Cc2ccccc2)CC(F)(F)C1 2179811537 ITZIROJCOWCQGM-UHFFFAOYSA-N 479.412 4.093 50 10 JIGE O=C(N[C@H]1COC2(CCC2)[C@@H]1Br)c1cc(Br)cc(Br)c1 2206488041 XXBXURPGGJCEGF-NWDGAFQWSA-N 467.983 4.026 50 10 JIGE Cc1ccc(I)c(C(=O)N[C@H]([C@H](C)Br)C(F)(F)F)c1 2232167771 VSMGAKNTENDHNA-OIBJUYFYSA-N 450.036 4.044 50 10 JIGE CN(C[C@H]1C[C@@H](Br)C1)C(=O)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2243709267 SMSDSANJEUFJTI-KDURUIRLSA-N 481.431 4.072 50 10 JIGE O=C(CSc1nc(O)c2c(-c3ccccc3)csc2n1)NN=Cc1cccc([N+](=O)[O-])c1 2320486403 JNFPBJMMHQEACT-UHFFFAOYSA-N 465.516 4.215 50 10 JIGE Cc1cc(O)ccc1NC=C(C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324599328 YQNOOFFDTYGPBH-UHFFFAOYSA-N 452.558 4.454 50 10 JIGE CCCOc1ccc(C=NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1OCC 2325902844 OCRLGQDRXDUXDO-MRXNPFEDSA-N 482.606 4.236 50 10 JIGE CC1(C)CN(Cc2ccc(Cl)cc2I)C[C@@H](CBr)O1 2341058469 DRERAJWMJITWHL-GFCCVEGCSA-N 458.565 4.319 50 10 JIGE CC1(C)C[C@@H](Br)C[C@H](NS(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2364209025 ODAJGSGCELDLBK-IRXDYDNUSA-N 499.471 4.105 50 10 JIGE Cc1cc(OCC(=O)NNC(=O)COc2ccc3ccccc3c2Br)cc(C)c1Cl 13979751 JYQFOYZRRBSANI-UHFFFAOYSA-N 491.769 4.478 50 10 JIGE CCc1ccc(OCC(=O)NNC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)cc1 14766843 MQKNVWSBCDWWHF-UHFFFAOYSA-N 497.389 4.473 50 10 JIGE COc1ccc(/C=N/NC(=O)CCCSc2nc3ccc([N+](=O)[O-])cc3s2)c(OC)c1 58990011 PIJVZRQCIYJZJB-CIAFOILYSA-N 460.537 4.244 50 10 JIGE O=S(=O)(NC[C@@H]1CCC[C@H]1CBr)c1cc(Cl)c(Br)s1 136707975 RTVMRHPMXZZMQC-YUMQZZPRSA-N 451.633 4.254 50 10 JIGE COc1ccc(-n2c(SCC(=O)NN=C(C)c3cccs3)nc3ccccc3c2=O)cc1 254498184 MPQLAGMPTIADAL-UHFFFAOYSA-N 464.572 4.088 50 10 JIGE Nc1cc(F)ccc1[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CI 382732886 VKSALNXOAVNJJR-YOEHRIQHSA-N 454.283 4.195 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CC2CC1(CBr)C2 694577562 AGGNFJSUDWGZMX-UHFFFAOYSA-N 484.957 4.053 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2CC[C@H]([C@@H](C)Br)C2)cc1Br 719785656 GKQITJFRVRINPD-ZJUUUORDSA-N 490.055 4.314 50 10 JIGE Cc1cc(/C=C(\C#N)C(=O)N[C@H]2CCN(Cc3ccccc3)C2=O)c(C)n1-c1ccc(F)cc1 743720571 FUPVDHUYBCAPDQ-DIXABZHVSA-N 456.521 4.058 50 10 JIGE COc1ccc(C=NNC(=O)c2sc3nc(C)cc(C)c3c2-n2cccc2)c(OC)c1OC 1081098354 OPLBFDAQLZPERV-UHFFFAOYSA-N 464.547 4.494 50 10 JIGE C/C(=C/c1ccc(Br)o1)C(=O)NNC(=S)Nc1cccc(Br)c1 1135964626 IOVSFQJJDLEAKP-CLFYSBASSA-N 459.163 4.226 50 10 JIGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(F)cc2)[C@@H]1c1ccc(O)cc1O 1865681260 IXIAIUDPNLJKDR-JOCHJYFZSA-N 454.461 4.367 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H]2CC[C@@]2(CBr)C1 1903892288 XBASEFDUYBIGLL-IINYFYTJSA-N 498.984 4.301 50 10 JIGE CC(C)N(CCCBr)c1ncc(I)cc1Br 1988540056 TXGIKSONHKPTAP-UHFFFAOYSA-N 461.967 4.449 50 10 JIGE CCc1ccc(CBr)c(I)c1I 2060222332 NQYPATHLIGUMKU-UHFFFAOYSA-N 450.883 4.353 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@@H](CBr)C2(CC2)C1 2087792886 QDMJAHURCGFMSP-SECBINFHSA-N 498.984 4.301 50 10 JIGE CN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(CBr)cc1Cl 2123208841 FVVPLBRTGMCGJN-QGZVFWFLSA-N 457.821 4.130 50 10 JIGE BrC[C@@]12COC[C@H]1CN(Cc1c(Br)cccc1Br)C2 2226186263 PFNZYBRSVTZZIZ-QMTHXVAHSA-N 454.000 4.055 50 10 JIGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1ccc(Cl)cc1CCl 2231156347 SWXZIOXWUSUMGX-UHFFFAOYSA-N 455.363 4.143 50 10 JIGE CCN(C[C@@](C)(CI)O[C@@H](C)COC(F)F)C(=O)OC(C)(C)C 2242771869 CLOVUJWAQURNRV-XHDPSFHLSA-N 451.292 4.081 50 10 JIGE COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=C(C)C=Cc2ccco2)cc1OC 2295882844 JSXJJVAWIPWUHM-UHFFFAOYSA-N 459.502 4.273 50 10 JIGE O=S(=O)(CCCCCBr)c1cc(I)ccc1Br 2300847564 UIVGKCJLCWIZQD-UHFFFAOYSA-N 496.002 4.393 50 10 JIGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)C1=CNc1c(Br)cc([N+](=O)[O-])cc1Br 2314585532 CAZVLVKGMYJNNF-UHFFFAOYSA-N 498.131 4.033 50 10 JIGE O=C(N[C@@H]1C[C@@H]2C[C@H]1C[C@H]2Cl)c1cc(Br)ccc1I 2330913456 GWADOIUQLUODIK-HTLPYRINSA-N 454.533 4.189 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OC[C@@H]2C[C@H]2C2CCOCC2)C1 2332865559 PUJWCHWVNLAUMJ-ZWOKBUDYSA-N 479.399 4.270 50 10 JIGE CC(C)c1ccc(OCC(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)cc1 14644190 CBXTZJCYVWBNFQ-CYBMUJFWSA-N 469.763 4.220 50 10 JIGE N#C/C(C(=O)N1CCN(C(=O)C2CC2)CC1)=C1/SC=C(c2ccc(F)cc2)N1c1ccc(F)cc1 37441435 NTRYSWFGKFAWHD-ROMGYVFFSA-N 492.551 4.333 50 10 JIGE COC(=O)c1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccs2)CCC3)cc1 40823739 GLZARYBLZCGHHS-PCLIKHOPSA-N 451.504 4.159 50 10 JIGE COc1cc(C)ccc1OCC(=O)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 100461061 LNVGXCNBELRTPQ-UHFFFAOYSA-N 489.572 4.393 50 10 JIGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3cccc(Br)c3)cc2OC)cc1 252617069 KLQGAGUYZZVJPB-UHFFFAOYSA-N 483.318 4.449 50 10 JIGE CC(C)[C@@H](Br)C(=O)Nc1ccc(Br)c(I)c1 300986482 UAHADNUPCBMSAD-SNVBAGLBSA-N 460.935 4.412 50 10 JIGE COc1ccccc1[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1CI 382709889 XBJBFABHDHMKAI-SJLPKXTDSA-N 451.304 4.482 50 10 JIGE ClCc1c(I)ccc(I)c1Br 575687304 UVCDJYTXMUGXFQ-UHFFFAOYSA-N 457.274 4.397 50 10 JIGE CCO[C@@H](CO[C@](C)(CI)CN(CC)C(=O)OC(C)(C)C)C1CC1 703477662 DWBBTVWKRYIBNY-MAUKXSAKSA-N 455.377 4.269 50 10 JIGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(-c3ccc(C(=O)O)cc3C)o2)cc1 725399448 XERMSOGBSVLQPJ-QFIPXVFZSA-N 450.491 4.316 50 10 JIGE O=C(CCCOc1ccc(I)cc1)NNc1ccc(F)c(F)c1F 728713607 AVISWBFGRYMZRB-UHFFFAOYSA-N 450.198 4.011 50 10 JIGE Cn1cc(C(=O)NNC(=O)N[C@@H](c2ccccc2)c2ccc3c(c2)CCCO3)c2ccccc21 730578502 SZTCCTRLTOKCEA-VWLOTQADSA-N 454.530 4.237 50 10 JIGE CCCOc1c(Br)cc(C=NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1OCC 916540454 YARTVLJPEVASCE-UHFFFAOYSA-N 450.289 4.309 50 10 JIGE CC1=C(C(=O)NN=Cc2ccc(N(C)C)cc2)[C@@H](c2ccc(Cl)cc2Cl)NC(=S)N1 1083948537 ZTTZHUIJSKIYJV-LJQANCHMSA-N 462.406 4.003 50 10 JIGE CC1=C(C(=O)NN=Cc2cccc(Cl)c2)[C@@H](c2ccc(Br)cc2)NC(=S)N1 1084594470 ZBPBGJUXFGIJAI-QGZVFWFLSA-N 463.788 4.046 50 10 JIGE C=CCn1c(SCC(=O)NC[C@@]2(C)C[C@H]2Br)nnc1-c1ccc(Cl)cc1 1131376351 ZHPPSDYZJREOLE-RDTXWAMCSA-N 455.809 4.166 50 10 JIGE C=CCn1c(S)nnc1-c1sc(NC(=O)[C@@]23CC[C@@H](C[C@@H]2Br)C3)nc1C 1628357165 ZKPSNMHNWKHLLD-PSVSLLHZSA-N 454.419 4.077 50 10 JIGE C=CCC[C@@H](NC(=O)NNC(=O)Nc1ccc2c(c1)OCO2)c1ccc(C(F)(F)F)cc1 1670826777 MWWACBMVHAFOSM-MRXNPFEDSA-N 450.417 4.477 50 10 JIGE COC(=O)c1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(F)cc2)CCC3)cc1 1772745069 QASJVYSKSHBKMT-UHFFFAOYSA-N 463.465 4.236 50 10 JIGE Cc1cc(OCC(=O)NN=Cc2ccc(O)c([N+](=O)[O-])c2)c(C(C)C)cc1Br 1772754050 IUIAGZVINYUAOH-UHFFFAOYSA-N 450.289 4.024 50 10 JIGE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1cc(OC)c(OC)cc1OC)C(C#N)=C(N)O2 1865711851 JBFWZGHJLLIUKS-QFIPXVFZSA-N 480.952 4.391 50 10 JIGE COc1cc(C(=O)NNC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)nc2C)cc(OC)c1OC 1865759079 HFZXHKPCEZRDHO-UHFFFAOYSA-N 490.343 4.464 50 10 JIGE COC(=O)[C@@H](Cl)Cc1cc(Br)c(I)c(Br)c1 1938596732 RYVGNEJOIBPPSC-QMMMGPOBSA-N 482.337 4.139 50 10 JIGE CCN1CC[C@H]([C@H](Br)c2cc(Br)cc(Br)c2)S1(=O)=O 2089524787 WXFBZBGEHYYSMH-VXGBXAGGSA-N 476.028 4.072 50 10 JIGE C[C@]12CN(C(=O)c3cc(Br)ccc3I)C[C@@]1(CCl)C2 2109180926 CNUCASWLUGDQSA-KBPBESRZSA-N 454.533 4.145 50 10 JIGE C[C@H]1[C@@H](C)N(Cc2ccccc2)[C@H](C)CN1S(=O)(=O)c1ccsc1CBr 2123282336 ADBUAJUOEOATCK-OAGGEKHMSA-N 457.459 4.315 50 10 JIGE C[C@@]1(NS(=O)(=O)c2cc(Br)ccc2Br)CCC[C@@H]1Br 2126317346 FPEPWELBNKQIMQ-NWDGAFQWSA-N 476.028 4.196 50 10 JIGE O=C(c1csc(Br)c1Br)N1CCO[C@@H]2C[C@H](Br)C[C@H]21 2128870153 OBMUBWRAAPOZBO-FTLITQJKSA-N 474.012 4.040 50 10 JIGE C=C[C@@]1(CBr)COCCN1C(=O)c1cc(Br)sc1Br 2135108293 MHEJSTLDNXQINP-GFCCVEGCSA-N 474.012 4.065 50 10 JIGE CC(C)(C)OC(=O)N1CCC(CI)(OC[C@@H]2C[C@H]2C2CCOCC2)CC1 2135988524 DNWUDOPWKHPOJE-IRXDYDNUSA-N 479.399 4.270 50 10 JIGE O=C(c1csc(I)c1)N1CC[C@@H]2CC[C@@H](Br)C[C@H]2C1 2139239075 VBUZLIMBIFPNIU-JBLDHEPKSA-N 454.171 4.378 50 10 JIGE CN([C@H](CCCl)C(F)F)S(=O)(=O)c1cc(Br)ccc1Br 2178512333 VDCISZFZTOPSKB-SECBINFHSA-N 455.546 4.095 50 10 JIGE Cc1sc(CBr)cc1S(=O)(=O)N1CC[C@H]2CN(Cc3ccccc3)C[C@H]2C1 2179819323 KRZBIYHESDNFRQ-ROUUACIJSA-N 469.470 4.094 50 10 JIGE O=S(=O)(c1ccc(F)c(CBr)c1F)N1CCC(OCc2ccccc2)CC1 2179860541 TXLXWPMHNOLGAG-UHFFFAOYSA-N 460.340 4.230 50 10 JIGE O=S(=O)(c1ccc(CBr)cc1Cl)N1C[C@@H]2CCN(Cc3ccccc3)[C@H]2C1 2188889258 XWMJFCKETVURTB-HKUYNNGSSA-N 469.832 4.130 50 10 JIGE C[C@@H](CCl)CC1CN(C(=O)c2ccc(Br)cc2I)C1 2230701146 WNARQKGCHJIVQI-SECBINFHSA-N 456.549 4.391 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)[C@@H](Br)C2CCCC2)C(F)(F)CC1 2284575433 HWCCYLGPLSDOIS-CABCVRRESA-N 453.368 4.481 50 10 JIGE C[C@]12CN(C(=O)Cc3cc(Br)cc(Br)c3)C[C@]1(CBr)C2 2295309588 KYCYXGPNPALOEI-LSDHHAIUSA-N 466.011 4.388 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N[C@@H]1C[C@H](CBr)[C@H]2C[C@@H]21 2295311661 NKVIBSJFVSTMHP-WBMYTEFPSA-N 466.011 4.290 50 10 JIGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)NCc2ccccc2)cc1 2296718435 CNNMVIXIKSOMJY-UHFFFAOYSA-N 450.498 4.327 50 10 JIGE Cc1cc(I)ccc1NC(=O)C(C#N)=CNCCc1ccccc1Cl 2325411935 KIMPJJLEKDDVDB-UHFFFAOYSA-N 465.722 4.431 50 10 JIGE O=C(N[C@H]1C[C@@H]2C[C@H]1C[C@H]2Br)c1cc(Cl)ccc1I 2330898846 BREUYECUIWEGBU-RKXYQDBHSA-N 454.533 4.236 50 10 JIGE CCn1nc(Br)c(COc2c(Br)cccc2CBr)n1 2351855346 XNIZHDCVRVKXDL-UHFFFAOYSA-N 453.960 4.297 50 10 JIGE CN1CC(C)(C)[C@@H]1CO[C@@](C)(CI)c1ccccc1Br 2360385880 DNSQEDBWTQRQHY-HOCLYGCPSA-N 452.174 4.456 50 10 JIGE CCOC(=O)c1nn(-c2cccc(Cl)c2)c(=O)c2c(NC(=O)CCCCl)scc12 10247894 ZCKSKNNWZVISBF-UHFFFAOYSA-N 454.335 4.235 50 10 JIGE CCCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 14032406 BFFXHSGPVFRPSB-UHFFFAOYSA-N 496.633 4.334 50 10 JIGE Cc1ccc(Cl)c2c1NC(=O)/C2=N\NC(=O)/C(=C/C=C/c1ccccc1)NC(=O)c1ccccc1 15015392 BUNUJMQUHBVTBI-HCYZRJLASA-N 484.943 4.448 50 10 JIGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(C)cccc4C)ccc32)cc1 38683460 KXOODHUBXNUNAH-RUZDIDTESA-N 484.508 4.293 50 10 JIGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)cc1 38687367 HGKIJSPMISVDEO-DEOSSOPVSA-N 466.449 4.239 50 10 JIGE COc1cc(/C=N/NC(=O)COc2cc(C)c(Cl)c(C)c2Br)cc(OC)c1OC 40950759 XKOMHVZJYRCPRP-NUGSKGIGSA-N 485.762 4.274 50 10 JIGE CCOc1ccc(C(=O)NCC(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)cc1 48571970 QREHEHSRVITCPF-OCSSWDANSA-N 481.556 4.127 50 10 JIGE COc1c(Br)cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc1Br 58887101 ZIPGFMHLFJESSA-NBZOHKLQSA-N 470.161 4.184 50 10 JIGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccc(C(=O)O)cc3)cc2)cc1 58893721 HDEXYYNIGBWEGR-PFQJNYNCSA-N 476.529 4.326 50 10 JIGE O=S1(=O)CC[C@@H](C(CBr)(CBr)Cc2cc(F)ccc2Cl)C1 126224830 QMUXEMCFJMXLGJ-LLVKDONJSA-N 462.606 4.233 50 10 JIGE CCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc(/C=C(/C#N)C(=O)NC(C)C)cc2OC)cc1 206429199 ITLNMHZLYINQHX-HRDIPXANSA-N 473.529 4.428 50 10 JIGE COc1cc(/C=C(/C#N)C(=O)N2CCOCC2)ccc1OC(=O)/C(C#N)=C/c1ccc(C(C)C)cc1 207204507 PKXJJBNSKJJDAR-IFTRTGPOSA-N 485.540 4.097 50 10 JIGE CC[C@@H](NC(=O)/C(C#N)=C\N1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccc2c(c1)CCCC2 217192820 ZPBPOTWRZVYOPY-RQARHRADSA-N 486.616 4.087 50 10 JIGE COc1cc(OC)c(OC)cc1C=NNC(=O)CSc1nc2ccccc2n1Cc1ccccc1 254301009 YZWDJGXGFSFLJB-UHFFFAOYSA-N 490.585 4.353 50 10 JIGE Cc1ccc(OCC(=O)NN=Cc2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)c([N+](=O)[O-])c1 254404242 PEDHKDUZYPCZMF-UHFFFAOYSA-N 495.404 4.041 50 10 JIGE FC(F)(F)Oc1cnc(I)c(CBr)c1Br 396157315 MITKARMIJUXXMU-UHFFFAOYSA-N 460.813 4.242 50 10 JIGE C[C@]1(CBr)CCCN(S(=O)(=O)c2cc(Br)ccc2Br)C1 688838646 NDFGIRSZWRJFPQ-CYBMUJFWSA-N 490.055 4.397 50 10 JIGE C[C@@]1(CBr)CCCN(S(=O)(=O)c2cc(Cl)c(Br)s2)C1 688839013 KGBNYDGDKOXEGH-NSHDSACASA-N 451.633 4.350 50 10 JIGE O=C(c1cccc(F)c1I)N1CC[C@H]2CC[C@@H](Br)[C@H]1C2 721513704 NPSPUJUMDKBBFG-IRUJWGPZSA-N 452.105 4.208 50 10 JIGE O=C(OCc1ccccc1)N1C[C@H](c2cc(O)ccc2[N+](=O)[O-])[C@@H](CI)C1 725403881 ZYVAQNRLAXUIEL-YOEHRIQHSA-N 482.274 4.088 50 10 JIGE Cc1ccc(C=NNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084051768 PVYSAOFFPXORLX-UHFFFAOYSA-N 455.967 4.302 50 10 JIGE O=C(NCc1ccccc1)C(=O)NN=Cc1ccc(OCc2c(Cl)cccc2Cl)cc1 1084523867 WBIUJQPHYBAIMZ-UHFFFAOYSA-N 456.329 4.339 50 10 JIGE COc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1O 1084573171 KZFRPELRTKQKSY-UHFFFAOYSA-N 468.101 4.436 50 10 JIGE COc1cc(C=NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc(Br)c1O 1084654642 RRHNWRSVHYNAPL-UHFFFAOYSA-N 474.355 4.446 50 10 JIGE Cc1ccc(-n2c(SCC(=O)N/N=C3\C[C@H]4CC[C@@]3(C)C4(C)C)nc3ccccc3c2=O)nc1 1087348774 PGSQDWZZJGJVKL-RNARAADXSA-N 475.618 4.500 50 10 JIGE N#CCCn1cc(/C=C(\C#N)C(=O)Nc2ccc(-n3cncn3)cc2)c(-c2ccc(Cl)cc2)n1 1115866511 FUBHBHSXLFSTBZ-LDADJPATSA-N 468.908 4.244 50 10 JIGE COc1ccc(C[C@@H](NC(=O)NNC(=O)c2ccc(Br)cc2)c2ccccc2)cc1OC 1115969373 UMRVIVQNRFZHQE-HXUWFJFHSA-N 498.377 4.394 50 10 JIGE COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(C)cc2)cc1OC 1865711881 KNVYFWQYIHDCRC-LJQANCHMSA-N 486.450 4.444 50 10 JIGE N#CSc1ccc(NC(=O)[C@@H](NC(=O)CCc2ncc3ccccn23)c2ccccc2)cc1 1866897587 WADAEXYZYASVNP-DEOSSOPVSA-N 455.543 4.336 50 10 JIGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1 1873794481 LDAPREYBQVDKIS-MWGGWIEZSA-N 482.581 4.094 50 10 JIGE Cc1cc(CCl)cc(S(=O)(=O)N(Cc2ccccc2)[C@@H]2CCOC2)c1Br 1915471532 NYIZWDJDGRIIFE-QGZVFWFLSA-N 458.805 4.476 50 10 JIGE O=C(N[C@H](CBr)C[C@H]1CCCO1)c1scc(Br)c1Br 1926771966 YTFVHKAJSDWMHR-JGVFFNPUSA-N 476.028 4.336 50 10 JIGE O=C(N[C@@H](CBr)C(F)(F)F)c1cc(Br)cc(Br)c1 2029992664 GXCXPKFMMFQNDZ-QMMMGPOBSA-N 453.878 4.267 50 10 JIGE C[C@@](CBr)(NC(=O)c1cc(Cl)ccc1I)C(F)F 2043176779 NYVDAAUAXZWZGL-NSHDSACASA-N 452.464 4.093 50 10 JIGE CCOc1c(I)ccc(CBr)c1I 2060222355 OCHAVGASRUUGSO-UHFFFAOYSA-N 466.882 4.189 50 10 JIGE C[C@]12CN(C(=O)c3cc(Br)ccc3Br)C[C@@]1(CBr)C2 2109182616 MZTNDFLUUFVPTG-KBPBESRZSA-N 451.984 4.459 50 10 JIGE Cc1cccc(C(=O)N2C[C@H](CBr)CC(C)(C)C2)c1I 2172586694 SCTVBSJBVGOGHU-LBPRGKRZSA-N 450.158 4.483 50 10 JIGE CN(C[C@H]1C[C@@H](Br)C1)C(=O)[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)OC(C)(C)C 2196908394 XIFWBJLOQHJJMO-MQYQWHSLSA-N 457.331 4.196 50 10 JIGE C[C@H](NC(=O)OC(C)(C)C)c1csc(NS(=O)(=O)c2ccc(CBr)cc2)n1 2203128220 IVKRBZFQTXJHFY-NSHDSACASA-N 476.418 4.425 50 10 JIGE O=C(c1cc(Br)c(F)cc1Cl)N1C[C@H](Br)[C@@H](Br)C1 2258088265 PVHBAQALPJWPEY-YUMQZZPRSA-N 464.354 4.224 50 10 JIGE O=C(c1sccc1I)N1Cc2ccccc2C[C@@H]1CBr 2296512311 PCDDELSFBSNFCM-GFCCVEGCSA-N 462.150 4.315 50 10 JIGE COc1cc(F)c(CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2I)c(Cl)c1 2317107639 PXCOBKDBCHTJRZ-HUUCEWRRSA-N 485.721 4.427 50 10 JIGE CCN(C[C@](C)(CI)OCC12CC(C[C@H](C)O1)C2)C(=O)OC(C)(C)C 2319566318 ZVASSIMDJOMIQX-NVHLDHDQSA-N 467.388 4.411 50 10 JIGE COc1cccc(C=NNC(=O)[C@H](C)NC(=O)OC(C)(C)C)c1OCc1cccc(Cl)c1 2328818722 XNHZERKBGDXGRJ-HNNXBMFYSA-N 461.946 4.291 50 10 JIGE COCCN(C)C[C@@H](Br)CCc1ccc(Cl)c(I)c1 2337219740 VZUHPQCTEHSUBR-LBPRGKRZSA-N 460.581 4.219 50 10 JIGE CN(C[C@H]1CCC1(F)F)S(=O)(=O)c1cc(CBr)sc1Br 2360451031 BCTFLENGAINWJK-SSDOTTSWSA-N 453.168 4.071 50 10 JIGE Cc1cc(Br)cc(/C=N/NC(=O)COc2ccc(Cl)cc2Br)c1O 3127299 XIPUERQKARJTJY-IFRROFPPSA-N 476.552 4.408 50 10 JIGE COc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1 9695870 KHAXPMOPPONOPY-UHFFFAOYSA-N 482.334 4.093 50 10 JIGE CCOC(=O)c1sc(NC(=O)c2ccc(S(=O)(=O)N(C)C(C)C)cc2)c(SC#N)c1C 10098385 KHOVLMODLWISDJ-UHFFFAOYSA-N 481.621 4.088 50 10 JIGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)c1cc(Cl)cc(Cl)c1 10505956 ZOBROTQCXCOHTA-MRVPVSSYSA-N 481.188 4.403 50 10 JIGE O=C(NC(=S)NNC(=O)c1sc2ccccc2c1Cl)c1ccccc1Br 12500888 SLLHPDNONACURC-UHFFFAOYSA-N 468.785 4.267 50 10 JIGE CC[C@@H](Oc1ccccc1C)C(=O)NNC(=O)COc1ccc(C(C)C)cc1Br 13995465 CSORRAJZZONLMG-GOSISDBHSA-N 463.372 4.265 50 10 JIGE Cc1cc(Br)cc(C)c1O[C@@H](C)C(=O)NNC(=O)COc1ccccc1C(C)C 14642972 QPDGMXFFDWKXSV-INIZCTEOSA-N 463.372 4.183 50 10 JIGE CC(C)Oc1ccccc1C(=O)NC(=S)NNC(=O)CCCOc1ccc(Cl)cc1Cl 14664716 RATMPIWCBLJHNH-UHFFFAOYSA-N 484.405 4.275 50 10 JIGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)c2ccc(NC(=O)C(C)C)cc2)c(Br)c1 14832326 YFLBTVBAPUDVCM-OAHLLOKOSA-N 490.398 4.397 50 10 JIGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(CCC)cc2)c(OC)c1 40978102 ZYLJNCSKBQOWML-RCCKNPSSSA-N 450.535 4.455 50 10 JIGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(OCC)c(I)c2)cc1 58893953 DKHZHGATRXYMOD-CSMVZQPBSA-N 496.345 4.053 50 10 JIGE COc1ccc(N/C=C(/C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(OC)c1 216498087 MLNZBNALJOUMTK-FLFQWRMESA-N 482.584 4.457 50 10 JIGE Cc1nn(-c2ccccc2)c(N(C)C)c1/C=N/NC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 253571579 PDTQKLJQUDEZHU-STBIYBPSSA-N 484.535 4.402 50 10 JIGE O=C(NN=Cc1cc(Br)ccc1OCc1ccccc1F)c1cc(O)ccc1O 263625452 LPHGEQSUNBFCET-UHFFFAOYSA-N 459.271 4.342 50 10 JIGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CCSC[C@H]1CCBr 689299645 ZCZOXHUYNOWEAR-SSDOTTSWSA-N 469.673 4.055 50 10 JIGE O=C(NC[C@]1(CBr)CCCOC1)c1cc(Br)sc1Br 700890035 JAWLEBLSOCYWCR-GFCCVEGCSA-N 476.028 4.195 50 10 JIGE O=C(NC[C@@H](Br)C1CCC1)c1ccc(I)c(Br)c1 721601818 HJBUPFPRXIWVOA-LLVKDONJSA-N 486.973 4.347 50 10 JIGE CCN1C[C@@H](CN(C)C(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)Oc2ccccc21 915287405 DLBFRDBWWZQHMB-FVIVVMBBSA-N 480.572 4.117 50 10 JIGE Cc1ccn2c(C(=O)NN=Cc3ccc(OCC(=O)Nc4ccccc4Cl)cc3)c(C)nc2c1 1084450890 LLTGHHOYSTZVFP-UHFFFAOYSA-N 475.936 4.386 50 10 JIGE CC(=O)N(c1ccc(NC(=O)NNC(=O)[C@@H](C)Oc2c(C)cc(Cl)cc2C)cc1)C1CC1 1476686281 LTFCZYVPGXIDDS-OAHLLOKOSA-N 458.946 4.092 50 10 JIGE C#Cc1cccc(NC(=S)NNC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(F)cc3)c2C)c1 1594437757 SKKGJTSXDZYJBB-ZHZULCJRSA-N 457.534 4.139 50 10 JIGE CCCCCN1C(=O)C(=NNC(=O)COc2ccc(Br)cc2)c2cc(C)ccc21 1772720235 GEYDWZKWZHDVKO-UHFFFAOYSA-N 458.356 4.194 50 10 JIGE O=C(N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21)c1cc2ccccc2oc1=O 1860822364 ASTXIVGEJCVLDO-QYQHSDTDSA-N 457.873 4.127 50 10 JIGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc([N+](=O)[O-])cc1)C(C#N)=C(N)O2 1865713320 WLORRCAHMUILPT-IBGZPJMESA-N 453.861 4.413 50 10 JIGE Cc1noc(NS(=O)(=O)c2ccc(NC(=O)/C(C#N)=C/c3cccc(Cl)c3)cc2)c1C 1866129706 HIEJEOPHMFNMFM-MHWRWJLKSA-N 456.911 4.291 50 10 JIGE C[C@H](Cl)c1nnnn1-c1cc(Br)c(I)c(Br)c1 1946432770 OARWBCVALRHIGA-BYPYZUCNSA-N 492.340 4.092 50 10 JIGE CS(=O)(=O)C1([C@@H](Br)c2cc(Br)sc2Br)CC1 1979975226 PSASLBWXTSTVKB-ZETCQYMHSA-N 453.015 4.286 50 10 JIGE CCN(C[C@](C)(CI)OCCOCCC1CC1)C(=O)OC(C)(C)C 2012320782 OBTJJYBWSDXXMQ-SFHVURJKSA-N 455.377 4.270 50 10 JIGE C[C@@H](Br)C1CCN(c2ncc(I)cc2Br)CC1 2015757993 YHZWJSGFQIBHPN-MRVPVSSYSA-N 473.978 4.449 50 10 JIGE O=C(N[C@@H]1CC[C@H](CBr)C1)c1cc(I)ccc1Br 2029536383 QLBFIFKGEGTNLM-WCBMZHEXSA-N 486.973 4.347 50 10 JIGE O=C(c1c(Br)cccc1Br)N1C[C@@H](Br)[C@H](C2CC2)C1 2094098854 JBDAAFNFTIGVSM-JOYOIKCWSA-N 451.984 4.457 50 10 JIGE O=S(=O)(CCC(CCl)CCl)Nc1cc(Br)ccc1Br 2104650332 XVURLVZIQSJVHL-UHFFFAOYSA-N 454.011 4.437 50 10 JIGE CC[C@@H](C)[C@@H](CI)NS(=O)(=O)c1c(Cl)cccc1Br 2136492513 OICOCIJLIBIMKV-LDYMZIIASA-N 480.593 4.231 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@H]2C[C@@H](Br)C[C@H]2C1 2142278635 GCJZUUZTTAWQSF-DOFRTFSJSA-N 498.984 4.299 50 10 JIGE Cc1cc(S(=O)(=O)N(C)[C@@H](CCBr)C(F)(F)F)sc1Br 2178518708 TUVPBSHPTHTYOI-ZETCQYMHSA-N 459.147 4.155 50 10 JIGE CC1(C)CN(S(=O)(=O)Cc2cccc(CBr)c2)CCN1Cc1ccccc1 2179775126 JXCFUDDHRARSLH-UHFFFAOYSA-N 451.430 4.008 50 10 JIGE O=S(=O)([C@H]1CC[C@H](CBr)C1)N1[C@H]2CCC[C@H]1CN(Cc1ccccc1)CC2 2179827092 AKSRNIBSLDGSRK-TUFLPTIASA-N 455.462 4.009 50 10 JIGE CN(CC1CC(Br)C1)S(=O)(=O)c1ccc(Br)c(CBr)c1 2196928741 XENQAZUNEFFJSM-UHFFFAOYSA-N 490.055 4.138 50 10 JIGE CN(C[C@@H]1C[C@H]1Br)C(=O)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229119965 ZZPLLDTYAOMQEG-NUEKZKHPSA-N 490.236 4.127 50 10 JIGE CC1(C)C[C@@](C)(CBr)CN1C(=O)c1c(F)cccc1I 2282801877 LKHYMSGNFRFWCR-HNNXBMFYSA-N 454.121 4.456 50 10 JIGE COc1ccc(Br)c(CNCC(F)(F)C(F)(F)CI)c1 2361671727 KABAZEXZINTASX-UHFFFAOYSA-N 470.042 4.253 50 10 JIGE Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=S)NC(=O)c2sc3ccccc3c2Cl)c1 12502516 KKWKITNCJTTWHW-UHFFFAOYSA-N 489.022 4.226 50 10 JIGE C=CCn1c(SCC(=O)/C(C#N)=C(\c2ccc(F)cc2)N2CCOCC2)nnc1-c1ccccc1 13524555 ZGRXVMCHTYKIED-ZNTNEXAZSA-N 489.576 4.198 50 10 JIGE O=C(N/N=C/c1c(O)ccc2ccccc12)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 27520042 YQKKGUDUFZPKED-CVKSISIWSA-N 454.442 4.470 50 10 JIGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3Cl)ccc2[C@H]1c1ccc([N+](=O)[O-])cc1 38654716 JHOFAUPMPWHYDX-HSZRJFAPSA-N 477.860 4.451 50 10 JIGE COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cc4ccccc4oc3=O)ccc21 40530309 GHERWDUIOXKTQS-DEOSSOPVSA-N 466.449 4.239 50 10 JIGE COC(=O)c1ccc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc(C)c2)CCC3)cc1 40811333 HZYJTSHUTNLJDU-NHFJDJAPSA-N 460.486 4.373 50 10 JIGE CCCCCN1C(=O)/C(=N\NC(=O)COc2ccc(C)cc2)c2cc(Br)ccc21 40846245 CCSXGFJOCGDVNH-DAFNUICNSA-N 458.356 4.194 50 10 JIGE CCOc1ccc(CCC(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2OC)cc1 207172645 KGWLXFPZJBRYKQ-QNGOZBTKSA-N 474.513 4.448 50 10 JIGE CCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1=O 214208665 VNCQPLKAPKHOEY-BKUYFWCQSA-N 453.458 4.060 50 10 JIGE CC[C@H](Br)CCNC(=O)c1cc(I)ccc1Br 233976941 OBSLGLGXUFNXOR-QMMMGPOBSA-N 474.962 4.347 50 10 JIGE FC(F)(F)c1cnc(N2CCSC[C@H]2CCBr)c(I)c1 686114956 OAXZDDBAEIHSAT-SECBINFHSA-N 481.119 4.412 50 10 JIGE O=C(N[C@H]1CCC[C@H]1CBr)c1ccc(I)c(Br)c1 721613955 NIIFRKYUVYGFHI-CABZTGNLSA-N 486.973 4.347 50 10 JIGE COCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)c1C 727414053 ZLBJLEVHDQMWGX-VGTKIRILSA-N 480.996 4.286 50 10 JIGE Cc1cc(C=NNC(=O)CN(c2ccccc2)S(C)(=O)=O)c(C)n1-c1cc(Cl)cc(Cl)c1 1084106274 JTMPKVBBBNKHTF-UHFFFAOYSA-N 493.416 4.317 50 10 JIGE CCOc1ccc(N(CC(=O)NN=Cc2c(F)cccc2Cl)S(=O)(=O)c2ccccc2)cc1 1084331445 ACWXJZZMTMFSJE-UHFFFAOYSA-N 489.956 4.223 50 10 JIGE C/C(=C\C(=O)NNc1nc2ccccc2c(=O)n1CCCOC(C)C)c1ccccc1Cl 1444076064 FJTVZFXELOFAEV-BMRADRMJSA-N 454.958 4.412 50 10 JIGE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NNc2cc(C)ccn2)c1 1654417600 GCYGYQLOHUAQGA-UHFFFAOYSA-N 456.955 4.182 50 10 JIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccn2)cc(Br)c1OC(C)C 1865697619 YFBUIWMHMCFKOZ-HXUWFJFHSA-N 496.365 4.352 50 10 JIGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Br)cc2)c1OC 1865701034 KFAZHZJAFQNMMC-IBGZPJMESA-N 467.323 4.179 50 10 JIGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc([N+](=O)[O-])cc1)C(C#N)=C(N)O2 1865712836 JHROCDDPTOLPCD-GOSISDBHSA-N 466.295 4.324 50 10 JIGE N#CSc1ccc(NC(=O)[C@H](NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)c2ccccc2)cc1 1866870744 PYCFZSKGIUZSPN-YADARESESA-N 470.554 4.109 50 10 JIGE CN(C[C@H]1C[C@H](Br)C1)S(=O)(=O)c1cc(CCl)sc1Br 1887880474 YBMGSFRPGZMZDQ-ZKCHVHJHSA-N 451.633 4.043 50 10 JIGE O=C(N[C@H]1C[C@@H]([C@H](F)CCl)C1)c1cc(I)ccc1Br 1906510902 VLNNOAXWVJRMOH-VFWDIBGWSA-N 460.512 4.139 50 10 JIGE O=S1(=O)CCC[C@H]1[C@H](Br)c1sc(Br)cc1Br 1922896134 CCLNHBRXSOWCSO-XPUUQOCRSA-N 453.015 4.286 50 10 JIGE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H](Cl)c2ccccc2)CCN1C(=O)OC(C)(C)C 1999367323 YLLDKFWQTIPBOF-KRWDZBQOSA-N 453.967 4.198 50 10 JIGE Brc1cc(I)cnc1N1CC[C@H](Br)[C@H]2CC[C@@H]21 2016028305 OVMYZPANUHHCEJ-YWVKMMECSA-N 471.962 4.201 50 10 JIGE ClCc1cc(I)c(Br)c(I)c1 2059979602 NMMVAEKRGYLYFQ-UHFFFAOYSA-N 457.274 4.397 50 10 JIGE CC[C@@H](C)[C@H](CI)NC(=O)c1cccc(F)c1I 2081239506 SVTPWWBSMOYEGM-KCJUWKMLSA-N 475.083 4.010 50 10 JIGE Cc1cc(S(=O)(=O)N(C)[C@H]2C[C@H](C)N(Cc3ccccc3)C2)sc1CBr 2123243723 NLXBQNIJZUJLIQ-RDJZCZTQSA-N 457.459 4.235 50 10 JIGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)c1cc(Br)ccc1[N+](=O)[O-] 2129199239 KQOKNWSKFFTDMB-OAHLLOKOSA-N 486.160 4.410 50 10 JIGE BrCc1cc(Br)cc(Br)c1OC[C@@H]1OC[C@@H]2CCO[C@H]21 2145933542 IQUQWLRBKUKCID-ORUWWINDSA-N 470.983 4.289 50 10 JIGE ClCc1cc(N2CCOCC23CCN(Cc2ccccc2)CC3)ncc1Br 2163142817 IJLXMDAYQZXKSM-UHFFFAOYSA-N 450.808 4.454 50 10 JIGE CC[C@@H](Br)[C@H]1CCCCN1C(=O)c1cc(I)ccc1O 2170617714 XNRWYSAKUJMGKJ-CHWSQXEVSA-N 452.130 4.165 50 10 JIGE CN(C[C@@H]1C[C@H]1Br)S(=O)(=O)c1ccc(Cl)c(CBr)c1Cl 2196935237 LGUUYJAWFIYHBL-IONNQARKSA-N 466.022 4.292 50 10 JIGE O=C(c1scc(Br)c1Br)N1CCO[C@@H]2C[C@H](CBr)C[C@H]21 2199777330 NKSIQQWRGBGION-SZEHBUNVSA-N 488.039 4.288 50 10 JIGE CC(C)(C)OC(=O)NC[C@@H]1CN(CCCCCI)C[C@@H]1C(F)(F)F 2214711942 RJARUXGAYROENX-OLZOCXBDSA-N 464.310 4.227 50 10 JIGE O=C(c1c(F)cccc1I)N1C[C@@H]2CCC[C@@]2(CBr)C1 2282793002 VZHGWKBLRIUWFP-ZUZCIYMTSA-N 452.105 4.068 50 10 JIGE O=C(N[C@H]1C[C@@H](CBr)[C@@H]2C[C@H]12)c1cc(Br)sc1Br 2309231101 XRPBXKPBHAJKON-AZRUVXNYSA-N 458.013 4.422 50 10 JIGE O=C(C=Cc1cccc2ccccc12)NC(=S)NNC(=O)COc1cccc2ccccc12 2313616878 IKUFHFIWBQBBOZ-UHFFFAOYSA-N 455.539 4.107 50 10 JIGE C[C@H](Br)[C@@H]1CN(Cc2ccc(I)c(Br)c2)CCO1 2325231667 WIBKSVLYUUKHGZ-ZANVPECISA-N 488.989 4.038 50 10 JIGE COCCOc1ccc(C=C(C#N)C(=O)Nc2nc(C)c(C(=O)Nc3ccccc3)s2)cc1 2331123707 JHOLVYRPYCKGCQ-UHFFFAOYSA-N 462.531 4.275 50 10 JIGE C[C@H]1CN(Cc2ccc(Cl)c(I)c2)C[C@H](CCBr)O1 2337214109 GXSGYIVQLLSHFW-JQWIXIFHSA-N 458.565 4.319 50 10 JIGE O=C(N[C@H]1C[C@@H](CBr)C12CCC2)c1cc(I)ccc1F 2379697112 PQKJMHUWISZWHL-ZANVPECISA-N 452.105 4.114 50 10 JIGE Clc1ccc(I)cc1CN1C[C@H](Br)C[C@@]2(CCCO2)C1 2380526018 VBBJHRVKMGEPBQ-DOMZBBRYSA-N 470.576 4.463 50 10 JIGE CCO[C@@H](CCl)/[S@@](=N\S(=O)(=O)c1ccccc1)c1ccccc1I 3123915 ZXJBTHAZKWUVHT-WAIKUNEKSA-N 497.807 4.442 50 10 JIGE O=C(NC(=S)NNC(=O)c1ccccc1Br)c1cccc(OCCc2ccccc2)c1 10334411 LIJGDIJHZFOELC-UHFFFAOYSA-N 498.402 4.020 50 10 JIGE Cc1cc(OCC(=O)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)cc(C)c1Cl 13980171 SCHCNABDAWMDCV-UHFFFAOYSA-N 472.756 4.209 50 10 JIGE CC[C@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccccc2OCCC(C)C)cc1 14034486 OGOQLJGBJOWODZ-SFHVURJKSA-N 471.623 4.340 50 10 JIGE CCCOc1ccccc1C(=O)NNC(=S)NC(=O)c1ccc(OCCc2ccccc2)cc1 14638593 UQECXKKYYDBUTK-UHFFFAOYSA-N 477.586 4.046 50 10 JIGE COc1ccc(C(=O)NNC(=O)c2cc(Br)ccc2OCCc2ccccc2)cc1OC 14665588 IRAKODJPNOORIX-UHFFFAOYSA-N 499.361 4.163 50 10 JIGE Cc1c(C(=O)N2CCCc3ccccc32)oc2c1/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 40814606 VWFNUUCLRCKUFN-SGWCAAJKSA-N 486.528 4.489 50 10 JIGE CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)cc1 40868342 NOOJFTIYSBNJGN-HMMYKYKNSA-N 491.573 4.229 50 10 JIGE COc1cc(/C=N/NC(=O)COc2cc(C)c(Br)cc2C(C)C)cc(OC)c1OC 40911273 GMPHEXQOPRNAGT-BHGWPJFGSA-N 479.371 4.436 50 10 JIGE CCCOc1ccccc1/C=C(/C#N)C(=O)Oc1ccc(/C=C(\C#N)C(=O)OCC)cc1OC 206989025 PEVLZMDLTRTCRS-PLVHLWNTSA-N 460.486 4.467 50 10 JIGE CCCCCCOc1ccc(/C=C2\C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)cc1OC 214328885 CNGRMOHECIIPFU-RUAJRXAUSA-N 452.551 4.426 50 10 JIGE Cc1cc(I)ccc1N/C=C(/C#N)C(=O)Nc1ccc(N)cc1Cl 217251843 ZDBZKGRMQCHLEK-LUAWRHEFSA-N 452.683 4.293 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N[C@H](CBr)C2CCC2)cc1Br 717582991 KJTIABLGJXMJFI-GFCCVEGCSA-N 490.055 4.362 50 10 JIGE Cn1cc(C(=O)NNC(=O)N[C@H](c2ccccc2)c2ccc3c(c2)CCCO3)c2ccccc21 730578501 SZTCCTRLTOKCEA-RUZDIDTESA-N 454.530 4.237 50 10 JIGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(-c3cc([N+](=O)[O-])ccc3OC)o2)cc1 1084165534 KJMNEBZHHHZHQY-NRFANRHFSA-N 467.478 4.226 50 10 JIGE C/C(=C/c1ccc(OC(F)(F)F)cc1)C(=O)NNc1c(F)cc(C(=O)NC2CC2)cc1F 1151494734 JOJSDWIYGRQGCI-FLIBITNWSA-N 455.383 4.302 50 10 JIGE CC(=O)c1ccc(Br)c(NC(=O)NNC(=O)CSc2ccc(Cl)cc2)c1 1208488941 YFZWOGZGTWSTNC-UHFFFAOYSA-N 456.749 4.250 50 10 JIGE CC(=O)c1cc(C(=O)NNC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)ccc1C 1457532016 VYFGWIFYIPWMSN-UHFFFAOYSA-N 458.543 4.441 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H]2CCC[C@@H]12 1985351682 IZCVETCHIQBWEB-GVDBMIGSSA-N 461.694 4.270 50 10 JIGE C[C@H](CCCBr)NC(=O)c1ccc(Br)cc1I 2026217368 KIYMIXGXPXZRBC-MRVPVSSYSA-N 474.962 4.347 50 10 JIGE C[C@@H]1[C@@H](Br)CCCN1C(=O)c1ccc(Br)cc1I 2086149805 SGGJPUILTDTMJZ-KCJUWKMLSA-N 486.973 4.442 50 10 JIGE CC(C)(C)OC(=O)NCCCN(c1cccc(Br)c1)S(=O)(=O)CCCCl 2106771864 LAKZCGREYQHKEF-UHFFFAOYSA-N 469.829 4.129 50 10 JIGE O=S(=O)(c1ccsc1CBr)N1CCN(Cc2ccccc2)C2(CCC2)C1 2123284029 MJVXEQOPNSGLHP-UHFFFAOYSA-N 455.443 4.072 50 10 JIGE O=C(c1ccc(F)cc1I)N1CC2(CCC2)C[C@H]1CBr 2151515914 MKYHVBPZECBQIH-NSHDSACASA-N 452.105 4.210 50 10 JIGE CC1(C)C[C@H](NS(=O)(=O)c2ccc(CBr)cc2)CCN1Cc1ccccc1 2155050034 AWNPMSAETWFMMD-LJQANCHMSA-N 451.430 4.303 50 10 JIGE CC(C)(C)OC(=O)N(CC(F)F)[C@H]1CCCN(CC2(CBr)CCOCC2)C1 2163057482 BVBOCMKJKGOJPA-HNNXBMFYSA-N 455.384 4.145 50 10 JIGE CC1(C)CO[C@H](CO[C@H](CI)c2ccc(Br)cc2)CO1 2179851354 KFPPTPARJNMKIL-ZIAGYGMSSA-N 455.130 4.136 50 10 JIGE Cc1cc(CBr)cc(S(=O)(=O)N2CCN(Cc3ccccc3)[C@@H](C)C2)c1C 2179864063 VYFKKSVAVGVYMX-KRWDZBQOSA-N 451.430 4.093 50 10 JIGE CC1(C)OCCO[C@@H]1CO[C@@H](CI)c1ccccc1Br 2186961173 AWYQOLNJYXCNHA-UONOGXRCSA-N 455.130 4.136 50 10 JIGE COc1ccc(C=NNC(=O)CSc2nc(O)c3c(-c4ccccc4)csc3n2)cc1 2320486385 FZKYQYDDJSEBSG-UHFFFAOYSA-N 450.545 4.315 50 10 JIGE COc1ccc(Br)cc1C=NNC(=O)COc1ccc(C(=O)NC2CCCCC2)cc1 2321697690 CUXUUSDLBFFCDI-UHFFFAOYSA-N 488.382 4.049 50 10 JIGE CCOc1ccc(COC2(CI)CCN(C(=O)OC(C)(C)C)CC2)cn1 2337973436 YIBOITSXOUNHAW-UHFFFAOYSA-N 476.355 4.202 50 10 JIGE O=C(NCC(F)(F)C(F)(F)CI)c1cccc(F)c1Br 2361679614 OHRMWVKRTOHLEF-UHFFFAOYSA-N 471.989 4.024 50 10 JIGE Clc1ccc(CN2C[C@H]3OCCC[C@@]3(CBr)C2)c(I)c1 2366704075 JLRGQIMDTRWCLW-HUUCEWRRSA-N 470.576 4.321 50 10 JIGE ClC[C@]12CCCO[C@H]1CN(Cc1ccc(I)c(Br)c1)C2 2377317105 ONJKLCFAFXOUPE-GJZGRUSLSA-N 470.576 4.274 50 10 JIGE CC[C@H](C)c1ccccc1O[C@H](C)C(=O)NNC(=O)COc1ccc(Br)cc1C 9873516 BFQQBDYBQGJKRM-GOEBONIOSA-N 463.372 4.265 50 10 JIGE CCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccccc1[C@H](C)CC 14036125 WXUCXFYGZWCYPM-GOSISDBHSA-N 471.623 4.484 50 10 JIGE O=C(NNc1ncnc(Nc2cc(Cl)cc(Cl)c2)c1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 40588066 BNEGCUOARNRLCL-UHFFFAOYSA-N 464.225 4.100 50 10 JIGE CCOc1ccc(Br)cc1/C=N/NC(=O)COc1ccc(Br)c(C)c1 40911915 OLXCGASBQWLTSC-UFFVCSGVSA-N 470.161 4.448 50 10 JIGE CCOC(=O)/C(C#N)=C\c1cc(I)c(OCc2ccccc2F)c(OC)c1 101383016 ITTZCYZABUZYOU-NVNXTCNLSA-N 481.261 4.488 50 10 JIGE CCCCOc1ccccc1/C=C/C(=O)Oc1ccc(/C=C(/C#N)C(=O)N2CCOCC2)cc1OC 207223353 WBOFGKRZTKSDQJ-BZRCRQBFSA-N 490.556 4.259 50 10 JIGE COc1cc(-c2nc3ccc(C(=O)NN)cc3[nH]2)cc(Br)c1OCc1ccccc1F 256046491 GDUUVBWYVSCZGF-UHFFFAOYSA-N 485.313 4.323 50 10 JIGE C[C@H]1CCN(S(=O)(=O)c2cc(Br)ccc2Br)C[C@H]1Br 300009225 NWQDZEHOZYNWEY-GZMMTYOYSA-N 476.028 4.006 50 10 JIGE COc1cc(Cl)c([C@H](Br)c2cnn(C)c2I)cc1OC 379200634 HUSQLTYAUSMXIT-LBPRGKRZSA-N 471.520 4.180 50 10 JIGE COc1ccc([C@H](Br)c2cnn(C)c2I)cc1Br 382231596 YPUPANHVODERES-NSHDSACASA-N 485.945 4.280 50 10 JIGE Nc1ccc(I)cc1[C@@H]1CN(Cc2ccccc2)C[C@@H]1CBr 382715885 KGDSUQVCIDFDPZ-WMLDXEAASA-N 471.180 4.484 50 10 JIGE O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)NN=Cc1cccc(Br)c1 725325524 BAFUOIXJVIMTOO-UHFFFAOYSA-N 493.386 4.391 50 10 JIGE COc1ccc(C)cc1N(CC(=O)NN=Cc1cccc(Cl)c1)S(=O)(=O)c1ccccc1 725394784 FJIASNPXXLCECZ-UHFFFAOYSA-N 471.966 4.003 50 10 JIGE Cc1ccccc1[C@H](C)NC(=O)[C@H](C)OC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1 853447006 BFKBGMRCWJIWPN-SIUNERBRSA-N 481.556 4.488 50 10 JIGE C[C@@H](Sc1ccccn1)C(=O)NN=C1C(=O)N(Cc2ccccc2Cl)c2ccccc21 1084047276 JQXFSOYJVVQSSN-OAHLLOKOSA-N 450.951 4.283 50 10 JIGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2F)[C@@H]1c1ccc(O)cc1O 1865681600 RIHDNDRQGVGJIU-JOCHJYFZSA-N 454.461 4.367 50 10 JIGE O=C(NC[C@H]1C[C@H]1Br)c1c[nH]c2cc(Br)c(Br)cc12 1887783275 BZSMGULNCCLOLV-HZGVNTEJSA-N 450.956 4.206 50 10 JIGE O=C(N[C@H]1C[C@@H]([C@@H](F)CBr)C1)c1cc(Br)cc(Br)c1 1906434945 XQEAUTOSDWUMBL-BPTDKIDVSA-N 457.963 4.453 50 10 JIGE O=C(NCCNS(=O)(=O)c1cccc(CCl)c1)OCC1c2ccccc2-c2ccccc21 1960171533 NZOCTOFHIGPLPP-UHFFFAOYSA-N 470.978 4.242 50 10 JIGE C[C@H]1C[C@H]1N(CCBr)C(=O)c1cc(Br)ccc1I 2048203390 AZVAGQINFNWELT-QPUJVOFHSA-N 486.973 4.299 50 10 JIGE O=C(CCl)c1ccc(I)c(I)c1OC(F)(F)F 2060039147 CAIFGAYFHALLNP-UHFFFAOYSA-N 490.384 4.216 50 10 JIGE BrC[C@@H]1CO[C@@H]2CN(Cc3ccc(Br)cc3Br)C[C@@H]12 2121594508 UEJPHCBIVJPGTC-SCDSUCTJSA-N 454.000 4.053 50 10 JIGE C[C@@H](Br)C[C@H]1COCCN1C(=O)c1cc(Br)c(Br)s1 2128881880 VSPIVMKFCFSMJS-SFYZADRCSA-N 476.028 4.288 50 10 JIGE C[C@]1(CBr)COCCN(Cc2c(Br)cccc2Br)C1 2135088778 BXACGHYGRUZGOI-CQSZACIVSA-N 456.016 4.445 50 10 JIGE O=C(Cc1ccccc1I)NC1(CBr)CCCCCC1 2143873335 QKYDCGPGTPZZKX-UHFFFAOYSA-N 450.158 4.438 50 10 JIGE CC[C@H]1CN(S(=O)(=O)c2ccc(C)c(CBr)c2)CCN1Cc1ccccc1 2179784508 AAUUFEMOWSYZPB-FQEVSTJZSA-N 451.430 4.175 50 10 JIGE COCCCCN(Cc1ccccc1)S(=O)(=O)c1ccc(CBr)cc1OC 2179859467 DWTFGULDMMCAGF-UHFFFAOYSA-N 456.402 4.208 50 10 JIGE O=C(c1cc(Br)cc(Br)c1)N1CC[C@H](OCCCBr)C1 2207042570 DEWHTSOKJHEKPT-ZDUSSCGKSA-N 469.999 4.228 50 10 JIGE CCCc1nc(-c2ccc(I)c(F)c2)nc(O)c1CBr 2237095071 DRKXTYNXWUDFBR-UHFFFAOYSA-N 451.077 4.440 50 10 JIGE O=C(N[C@@H](CBr)CC(F)(F)F)c1ccc(Cl)c(I)c1 2268341608 PSNLKYZVJVIVEY-SSDOTTSWSA-N 470.454 4.390 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@H]2C[C@H]1C[C@@H]2Br 2277920403 PTLWSYFSFLMHMS-ICCXJUOJSA-N 451.984 4.138 50 10 JIGE COc1ccc(Oc2nccc(OC)c2CBr)cc1I 2281101933 KDGDAXVJELRRQX-UHFFFAOYSA-N 450.070 4.391 50 10 JIGE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)NCCc2ccccc2)c1 2296542723 DMUDLRIBCLSKIW-UHFFFAOYSA-N 464.525 4.370 50 10 JIGE C[C@@H]1CC2CC(COC3(CI)CCN(C(=O)OC(C)(C)C)CC3)(C2)O1 2319563236 QHOBFTMHCJAXHQ-TZGCNFNXSA-N 465.372 4.165 50 10 JIGE Cc1ccc(-c2csc3ncn(CC(=O)NN=Cc4ccccc4Br)c(=O)c23)cc1 2325904631 LJUDRMCKLYVTOJ-UHFFFAOYSA-N 481.375 4.346 50 10 JIGE CN(C[C@@H]1C[C@@H]1Br)[C@](C)(C(=O)O)c1cc(Br)c(Br)s1 2347535227 NIHAWXLJGLOYNI-WSFZALMZSA-N 476.028 4.288 50 10 JIGE CC(C)Oc1ccc(C(=O)NNC(=O)c2ccccc2Br)cc1Br 14658935 QXJJGGPWCKHRDS-UHFFFAOYSA-N 456.134 4.074 50 10 JIGE Cc1cc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)NCCCOC(C)C)ccc1Cl 33710824 IPSMMBOXHRFDOV-JXAWBTAJSA-N 480.952 4.287 50 10 JIGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4F)ccc32)cc(OC)c1OC 38660615 AKQBGEZWWNCIJS-HSZRJFAPSA-N 476.460 4.289 50 10 JIGE CCOC(=O)c1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2O)CCC3)cc1 40826444 DYNYHBWRDXGBBH-TURZUDJPSA-N 475.501 4.193 50 10 JIGE O=C1O[C@](CBr)(CCCCCCOc2ccc(Cl)cc2)C(=O)N2CCC[C@@H]12 44019399 IHEVAFQIMLAROP-PXNSSMCTSA-N 458.780 4.351 50 10 JIGE C#CCOc1c(CC=C)cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1OCC 58895414 GYIOLGHDIDHUMP-BLLBTQLLSA-N 464.562 4.188 50 10 JIGE CCCCCCCOc1ccc(/C=C2/C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1 101341716 FNLHKMDWJNJVLV-HKOYGPOVSA-N 482.577 4.208 50 10 JIGE O=C(Oc1ccccc1C=NNC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 252606878 GWWYUYLTAWCXFM-UHFFFAOYSA-N 495.491 4.200 50 10 JIGE Cc1ccccc1-n1c(SCC(=O)NN=Cc2c[nH]c3ccccc23)nc2ccccc2c1=O 254658373 NZULIRPTSMFGAP-UHFFFAOYSA-N 467.554 4.418 50 10 JIGE O=[N+]([O-])c1ccc([C@H](Br)c2cc(I)cc3c2OCC3)o1 379944942 CUIHOYMSLDFZGN-GFCCVEGCSA-N 450.026 4.212 50 10 JIGE FC(F)(F)Oc1c(CBr)cnc(I)c1Br 396181528 OFKDRXDTTKLLQO-UHFFFAOYSA-N 460.813 4.242 50 10 JIGE C[C@@H]1C[C@@H](CBr)CN(S(=O)(=O)c2cc(Cl)c(Br)s2)C1 398835645 GYTQPVHHOKJZFX-SFYZADRCSA-N 451.633 4.206 50 10 JIGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CCCC[C@@H](CBr)C1 696735585 JZRABJZSAWJWLS-QMMMGPOBSA-N 451.633 4.350 50 10 JIGE C[C@H]1CCN(C(=O)c2cc(I)ccc2Br)C[C@H]1CCl 700415217 MFCDDORKOJHQLA-VHSXEESVSA-N 456.549 4.391 50 10 JIGE CC(=NNC(=O)COc1c(C)cc(Br)cc1Br)c1ccc([N+](=O)[O-])cc1 1084189517 PJRVXDJNNMUCKB-UHFFFAOYSA-N 485.132 4.347 50 10 JIGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1 1084325577 KQSKHMGIKZYMPP-NRFANRHFSA-N 467.478 4.226 50 10 JIGE COC(=O)c1ccccc1-n1c(C)cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c1C 1084516226 VPUSXXUGHAXLLH-PTGBLXJZSA-N 468.557 4.137 50 10 JIGE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NNc2ccc(OC)cc2Br)cc1 1199058955 LWXBJMYMAJJIMY-UHFFFAOYSA-N 459.344 4.421 50 10 JIGE CC(=O)c1ccc(C(=O)NNC(=O)c2ccc(COc3ccc(Cl)c(C)c3)cc2)cc1O 1540470446 QZDDPJJBUYVCJW-UHFFFAOYSA-N 452.894 4.210 50 10 JIGE CC(=O)CCCC(=O)NNc1c(Br)cc(Br)cc1Br 1634351128 OBPATIXIOHRSFW-UHFFFAOYSA-N 456.960 4.177 50 10 JIGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1cccc(OC)c1O)C(C#N)=C(N)O2 1865684402 PWGPGCYWNDOHHZ-FQEVSTJZSA-N 450.926 4.470 50 10 JIGE CCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1cc(OC)c(OC)c(OC)c1)C(C#N)=C(N)O2 1865692719 OXUMGXJEYCZQKI-NRFANRHFSA-N 480.952 4.391 50 10 JIGE CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3CC(C)C)cc1OC 1865697516 VDFAZLCZUMKSGC-GOSISDBHSA-N 461.360 4.236 50 10 JIGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)cc1OC 1865706961 JZUSUUMDVDQKJB-SFHVURJKSA-N 474.414 4.325 50 10 JIGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)c2cc(C3CC3)on2)cc1 1867149614 AZVOTSSQRQDTNS-IBGZPJMESA-N 450.495 4.244 50 10 JIGE CCOc1cc(/C=C(\C#N)c2nc(O)c3ccc(C(=O)OC)cc3n2)cc(Br)c1O 1872727476 CYJURHUBPUXVSR-AWNIVKPZSA-N 470.279 4.053 50 10 JIGE CN(Cc1ccc(I)c(Br)c1)C[C@H]1C[C@@H]1Br 1904348556 QTMGJORUONRNRY-ZJUUUORDSA-N 458.963 4.269 50 10 JIGE C[C@H]1CN(Cc2ccccc2)C[C@@H](C)N(S(=O)(=O)c2ccc(CBr)cc2)C1 1921476622 GCGBGSNANPCODN-ZWKOTPCHSA-N 451.430 4.113 50 10 JIGE CC1(CBr)CC(NC(=O)c2ccc(I)c(Br)c2)C1 2055638880 IOPIRIRZONWCNM-UHFFFAOYSA-N 486.973 4.347 50 10 JIGE FC(F)(CBr)[C@H]1CCN(c2ncc(I)cc2Br)C1 2077094352 IVHRYFDILTXDBJ-ZETCQYMHSA-N 495.931 4.305 50 10 JIGE O=S1(=O)CC[C@H]([C@@H](CBr)Cc2cccc(Br)c2Br)C1 2092335367 MICUMNJWWVJJDO-WDEREUQCSA-N 475.040 4.200 50 10 JIGE O=C(NCC1(CBr)CCOCC1)c1c(Br)cccc1Br 2150494768 JKMVUZUDTJTJDH-UHFFFAOYSA-N 469.999 4.133 50 10 JIGE COc1cc(-n2cc(C(C)(C)CBr)nn2)c(Br)cc1Br 2165052973 CNYFYQFRHDVYNX-UHFFFAOYSA-N 467.987 4.473 50 10 JIGE CN(Cc1ccccc1)[C@H]1CCCN(S(=O)(=O)c2cc(CCl)ccc2Br)C1 2169152414 AQBRSKCMWQQVDY-SFHVURJKSA-N 471.848 4.473 50 10 JIGE CCN([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(F)c(CBr)c1 2179787039 JIAVLIQLHWNZCT-SFHVURJKSA-N 455.393 4.006 50 10 JIGE Cc1oc(CBr)cc1S(=O)(=O)N1CCN(Cc2ccccc2)[C@H](C(C)C)C1 2179809387 TUMACYAABVKUON-IBGZPJMESA-N 455.418 4.014 50 10 JIGE Cc1sc(CBr)cc1S(=O)(=O)N1C[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C 2179822397 WJOMRNHCOZXEOM-HOTGVXAUSA-N 471.486 4.483 50 10 JIGE CN(Cc1ccccc1)[C@@H]1CCN(S(=O)(=O)c2cc(Cl)cc(CBr)c2F)C1 2179862868 CZRLDSMEMJRHCO-QGZVFWFLSA-N 475.811 4.269 50 10 JIGE O=C(NC12CCC(CBr)(CC1)C2)c1cccc(F)c1I 2189318602 XECZFBRPDIPZSO-UHFFFAOYSA-N 452.105 4.258 50 10 JIGE CC1(C)CCN(Cc2ccccc2)CCN1S(=O)(=O)c1ccc(CBr)s1 2231335015 JVRLTPBCQLVSJY-UHFFFAOYSA-N 457.459 4.318 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N[C@H]1C[C@@H]([C@H](F)CBr)C1 2295311974 RIPZUMORYIGVAQ-JIMOISOXSA-N 471.990 4.382 50 10 JIGE COc1ccc(C(C#N)=Cc2cccc(OC(=O)[C@@H](C)N3C(=O)c4ccccc4C3=O)c2)cc1OC 2320511320 QIYFZTKZPUGFFK-QGZVFWFLSA-N 482.492 4.358 50 10 JIGE ClC[C@H]1CN(Cc2ccc(I)c(Br)c2)C2(CC2)CO1 2349838881 XHKKCVFCSCNHPS-NSHDSACASA-N 456.549 4.026 50 10 JIGE COCCO[C@@H]1[C@@H](Br)C[C@@H]1OCc1c(Br)cccc1Br 2366144381 DTDBXDUBGNLVJB-MELADBBJSA-N 472.999 4.296 50 10 JIGE COc1ccc([C@H]2C(C#N)=C(N)N(c3ccccc3)C3=C2C(=O)CC(C)(C)C3)cc1CN1CCOCC1 715079 RYICGFAWAWZRPV-MHZLTWQESA-N 498.627 4.468 50 10 JIGE CC(/C=C/c1ccccc1)=N/NC(=O)CCC(=O)Nc1ccc(I)cc1 27498160 HADHJAGMZUUIAI-SQNPBIJBSA-N 461.303 4.215 50 10 JIGE COC(=O)c1ccc(COc2ccc(/C=C(/C#N)C(=O)NCCc3ccccc3)cc2OC)cc1 33418077 UQEPDMGDXFGVTP-JLPGSUDCSA-N 470.525 4.327 50 10 JIGE Cc1c(C(=O)N(C)c2ccccc2)oc2c1/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 40814596 DGSGDVJUPXOGCP-LHLOQNFPSA-N 460.490 4.172 50 10 JIGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 40989649 DKOZSNNRGFRJPG-GHRIWEEISA-N 477.344 4.428 50 10 JIGE O=C(CCc1ccccc1O)N/N=C1\C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21 59146424 ZBFXTIBYOIANFO-NFFVHWSESA-N 496.336 4.294 50 10 JIGE Cn1cc(C(=O)NNC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)c2ccccc21 106008555 KQHDASYPLUIWDB-UHFFFAOYSA-N 467.451 4.335 50 10 JIGE COc1c(Cl)cc(/C=N\NC(=O)CSc2nc3ccccc3n2C)c(OC)c1Cl 169876411 CKLQYIKCCHPOEZ-AFPJDJCSSA-N 453.351 4.140 50 10 JIGE CCc1ccc(OCC(=O)NN=Cc2ccc(OC(=O)c3ccc(OC)c(OC)c3)cc2)cc1 254812913 GOGHZCBLSXWVAX-UHFFFAOYSA-N 462.502 4.015 50 10 JIGE C[C@H](Br)CN(C(=O)c1cc(I)ccc1Br)C1CC1 691366701 VNIRJIDYVLYMDE-QMMMGPOBSA-N 486.973 4.442 50 10 JIGE CCOC(=O)Cc1csc(NC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)n1 818100211 AWHVVOIHANYYAQ-YBEGLDIGSA-N 494.964 4.225 50 10 JIGE C[C@H](Sc1ccccc1)C(=O)NN=Cc1ccc(OCC(=O)NCCc2ccccc2)cc1 1084404304 TVHPSPRYWYSZGG-FQEVSTJZSA-N 461.587 4.055 50 10 JIGE C#CC[C@@]1(C(=O)NNc2cc(Cl)ccc2Br)CCCN1C(=O)OC(C)(C)C 1303450595 XIBMTDQLEJFNLY-IBGZPJMESA-N 456.768 4.339 50 10 JIGE C/C(=C\c1ccccc1Cl)C(=O)NNc1nc2ccccc2c(=O)n1CCCOC(C)C 1617518858 AWLXTCCECKUOCO-BMRADRMJSA-N 454.958 4.412 50 10 JIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cc(C)ccc2C)cc(Cl)c1O 1865707099 NNSZSVUNLFTCJG-OAQYLSRUSA-N 450.926 4.442 50 10 JIGE O=C(NC1CC([C@H](F)CCl)C1)c1cc(I)ccc1Br 1906549778 VLNNOAXWVJRMOH-YHBRXECLSA-N 460.512 4.139 50 10 JIGE O=C(N[C@@H](CBr)C[C@@H]1CCCO1)c1ccc(I)c(Cl)c1 1926733316 WKVOAOAKZQYKPY-MNOVXSKESA-N 472.548 4.007 50 10 JIGE BrC[C@H]1CCCCN1c1ncc(I)cc1Br 1988533356 UEBIBQBNLVXFOG-SECBINFHSA-N 459.951 4.203 50 10 JIGE CCOC(=O)c1c(I)ccc(OC(F)(F)F)c1CBr 2055266473 VANRZCMODLJGNB-UHFFFAOYSA-N 452.992 4.261 50 10 JIGE CCOc1cc(I)cc(CBr)c1I 2060216705 WNWSHJRJRBZORK-UHFFFAOYSA-N 466.882 4.189 50 10 JIGE FC(F)Oc1c(I)cc(I)cc1CBr 2060290210 PPLXTZMWFGUUTB-UHFFFAOYSA-N 488.835 4.392 50 10 JIGE C[C@H](NC(=O)c1ccc(Br)cc1I)C1(CBr)CC1 2086151502 OTUICEIXPWCXAB-QMMMGPOBSA-N 486.973 4.347 50 10 JIGE O=C(NC[C@@H](CBr)C1CCC1)c1ccc(I)c(Cl)c1 2089960834 MPNRIQIXYIYZCH-LLVKDONJSA-N 456.549 4.486 50 10 JIGE CC1(C)CCN(S(=O)(=O)c2cc(CBr)sc2Br)CCS1 2179792740 KEIKOTQQZHLQAI-UHFFFAOYSA-N 463.282 4.312 50 10 JIGE Cc1cc(S(=O)(=O)N2CC[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)sc1CBr 2179809249 RJMBRROKKOPDJJ-MSOLQXFVSA-N 469.470 4.094 50 10 JIGE O=S(=O)(c1cc(CBr)cs1)N1CCC[C@@]2(CCN(Cc3ccccc3)C2)C1 2179820441 YBYYNVPYZHAMJW-FQEVSTJZSA-N 469.470 4.320 50 10 JIGE O=S(=O)(c1ccc(CBr)cc1Cl)N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 2188889260 XWMJFCKETVURTB-MJGOQNOKSA-N 469.832 4.130 50 10 JIGE C[C@@H](Cl)[C@H](NS(=O)(=O)c1cc(Br)ccc1Br)C(F)(F)F 2195319129 STLVLYYUCXPUIV-ANLVUFKYSA-N 459.509 4.048 50 10 JIGE Cn1c(=O)n(C)c2cc([C@@H](Br)[C@H]3C[C@H](Br)C3)c(Br)cc21 2196881414 STGLMZYOVHXOKS-UPFKWVMWSA-N 466.999 4.249 50 10 JIGE CC(C)[S@@](=O)(=NCC1(CBr)CC(F)C1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2265637621 CTRKNNGXNJVVRW-IDYQJEDYSA-N 455.434 4.385 50 10 JIGE CCOc1ccc(C=C(C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)cc1 2297313020 GLIDSQXRJJGXOK-UHFFFAOYSA-N 466.519 4.037 50 10 JIGE COc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1cc(C)cc(C)c1 2314737587 ZXLLQGSYGVPMBY-UHFFFAOYSA-N 460.486 4.113 50 10 JIGE CCCOc1ccc(C=NNC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)cc1OCC 2325903820 RBHKURHFDWEATN-UHFFFAOYSA-N 490.585 4.463 50 10 JIGE O=C(c1cc(Br)cc(Br)c1)N1C[C@H]2C[C@@H](CBr)[C@H]2C1 2330495439 CSRPRZHPCFJMAC-OPQQBVKSSA-N 451.984 4.315 50 10 JIGE COc1ccc(-c2csc(C(C#N)=C(O)CCc3nc4ccccc4[nH]c3=O)n2)cc1OC 2331242878 UPCCFCQUGQQNFE-UHFFFAOYSA-N 460.515 4.489 50 10 JIGE CC(C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1ccc(OCCc2ccccc2)cc1 14041856 COULTQVSGQSHOL-UHFFFAOYSA-N 491.613 4.146 50 10 JIGE O=C(CCc1ccccc1O)N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 59151821 CFORFRQBXGNXSN-OEAKJJBVSA-N 450.407 4.084 50 10 JIGE COc1ccccc1C(=O)N/N=C1\C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 59166079 BWOPBQWVGWYOFU-ROMGYVFFSA-N 478.346 4.181 50 10 JIGE Cc1cccn2c(=O)c(/C=C(/C#N)c3nc4ccccc4s3)c(N3C[C@H](C)O[C@H](C)C3)nc12 102863340 GETLLNHZFWYCMM-TXESTNCSSA-N 457.559 4.290 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2CC[C@@H](C)[C@@H](Br)C2)cc1Br 230301267 ACVXJEZVVNFWHK-PELKAZGASA-N 490.055 4.314 50 10 JIGE CCS(=O)(=O)CCCOc1c(Br)cc(CBr)cc1Br 233830032 ZXQZINYBLFANPC-UHFFFAOYSA-N 479.028 4.310 50 10 JIGE CCCOc1ccc(C=NNC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc1OC 254814688 RPVNGLHGFOLTFL-UHFFFAOYSA-N 490.585 4.381 50 10 JIGE Cc1nn(-c2ccccc2)cc1C=NNC(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1 254850588 FGMKUTVCGPEBLK-UHFFFAOYSA-N 494.584 4.066 50 10 JIGE COc1ccc(C(=O)NN=C2C(=O)N(CN3C[C@@]4(C)C[C@H]3CC(C)(C)C4)c3ccccc32)cc1 254868709 SYQOLXVGXLAHTD-WINIVTDRSA-N 460.578 4.034 50 10 JIGE CCOc1ccc(N(CC(=O)NN=Cc2ccc(SC)cc2)S(=O)(=O)c2ccccc2)cc1 1084030644 FNMMCTZWAXZPES-UHFFFAOYSA-N 483.615 4.153 50 10 JIGE CS(=O)(=O)N(Cc1ccc(C(=O)NN=Cc2ccco2)cc1)c1cccc(Cl)c1Cl 1084083071 VJXOORRWIMPFQY-UHFFFAOYSA-N 466.346 4.317 50 10 JIGE C[C@H]1CN(Cc2ccccc2)CCN1S(=O)(=O)c1ccc(CBr)c(Cl)c1 1885131349 WHDJJKVYZOPXMB-HNNXBMFYSA-N 457.821 4.130 50 10 JIGE O=C(N[C@@H](CBr)c1cscn1)c1ccc(I)c(Cl)c1 2119037528 DNGFWAQINYACTJ-JTQLQIEISA-N 471.545 4.267 50 10 JIGE C[P@]1(=O)C[C@@H](Br)[C@H](NC(=O)c2cc(Br)ccc2Br)C1 2121336235 FPVOHSFAUPPWKU-BFKGZMGPSA-N 473.927 4.080 50 10 JIGE Cc1cc(Br)c([C@@H](Br)[C@H]2CCS2(=O)=O)c(C)c1Br 2220140045 CZGIXTAMOGSVCN-SKDRFNHKSA-N 461.013 4.452 50 10 JIGE C[C@H](CCCCCI)NS(=O)(=O)Cc1ccc(Br)cc1 2234489406 KRYBSTYKLKFRNW-GFCCVEGCSA-N 474.202 4.252 50 10 JIGE Clc1ccc(I)c(CN2C[C@@H]3CC[C@@H](CBr)O[C@@H]3C2)c1 2289171700 FKMVFEWJPWHHMI-VZJVUDMVSA-N 470.576 4.319 50 10 JIGE COc1ccc([N+](=O)[O-])cc1-c1ccc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)o1 2294168504 ONCUNAQGQFOCJJ-UHFFFAOYSA-N 458.474 4.119 50 10 JIGE COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(Cl)s2)cc1OC 2296908828 VFDMWRRUJRSDIF-UHFFFAOYSA-N 469.950 4.340 50 10 JIGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)C=Cc2ccc(OC)cc2)cc1 2313741177 XUFNHIBNIFDHAX-UHFFFAOYSA-N 455.580 4.003 50 10 JIGE C[C@H](Br)CCCc1cn(-c2cc(F)c(I)c(F)c2)nn1 2366887029 CEKPSDVTOFGWCB-QMMMGPOBSA-N 456.072 4.256 50 10 JIGE O=C(N/N=C/c1cc2c3c(c1O)CCCN3CCC2)c1cnn(-c2ccccc2)c1C(F)(F)F 752996 VCPBURXDMBDFQW-XODNFHPESA-N 469.467 4.059 50 10 JIGE N#CCC(=O)N/N=C(\c1ccccc1)[C@@H](c1ccccc1)[C@]1(O)C(=O)Nc2c(Cl)ccc(Cl)c21 5808875 VVSYHJHIYJFJJN-UGXICHBYSA-N 493.350 4.351 50 10 JIGE CCOc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1Br 14770495 GGOYLTKSGIGRRH-CQSZACIVSA-N 457.324 4.230 50 10 JIGE O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)/C(=C/c1cccs1)NC(=O)c1ccccc1Cl 33560088 MDUSFGCZGNVEAE-CZACTKFKSA-N 454.895 4.231 50 10 JIGE COc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc([N+](=O)[O-])c2)CCC3)cc1 40813064 OVDOTYKTUYTFSX-LGUFXXKBSA-N 462.462 4.228 50 10 JIGE COc1cc([N+](=O)[O-])ccc1-n1nc(C)c(/C=N/NC(=O)C23CC4CC(CC(C4)C2)C3)c1C 59147478 FUNORYARXCHDGS-DHRITJCHSA-N 451.527 4.072 50 10 JIGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)c1ccco1)CCC2 101606617 HZZVEYJWTNYWHT-MFKUBSTISA-N 489.315 4.033 50 10 JIGE Cc1ccc(OCC(=O)NN=Cc2ccc(OC(=O)/C=C/c3ccco3)cc2)c(Br)c1 252641546 ZEPOKXXRFAKQJI-NNPCLYJGSA-N 483.318 4.498 50 10 JIGE O=C(COc1ccccc1Br)NN=Cc1coc2c(Cl)cc(Cl)cc2c1=O 254595165 HVMYDOIOPBTNQS-UHFFFAOYSA-N 470.106 4.391 50 10 JIGE COc1ccc(OC)c(C=NNC(=O)/C(=C/C=C\c2ccccc2)NC(=O)c2ccccc2)c1 254743562 HPGCTSQDJIXFQK-PVSPUVHBSA-N 455.514 4.181 50 10 JIGE CC(=NNC(=O)[C@@H](O)c1ccccc1)c1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1 254813036 NTNVEKBJDQMJPR-HNNXBMFYSA-N 479.352 4.032 50 10 JIGE CC(C)(CBr)CCNS(=O)(=O)c1cc(Br)ccc1Br 385962459 ZAVJHUDTKZVWDO-UHFFFAOYSA-N 478.044 4.301 50 10 JIGE C[C@H]1CCN(C(=O)c2cc(Br)ccc2I)C[C@H]1CCl 700414668 KAIMRPJHYSSSFR-VHSXEESVSA-N 456.549 4.391 50 10 JIGE C[C@@H]1CCN(S(=O)(=O)c2cc(Cl)c(Br)s2)C[C@@H]1CBr 703990342 VRWOOSBSUZOPOO-SFYZADRCSA-N 451.633 4.206 50 10 JIGE N#CCCn1cc(/C=C(/C#N)C(=O)NC[C@H]2COc3ccccc3C2)c(-c2ccc(Cl)cc2)n1 818064408 AGERKBAGNCJXNP-PKIWBCANSA-N 471.948 4.392 50 10 JIGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3c(C)cccc3C)S(C)(=O)=O)c2C)c(C)c1 1084289819 UILYAPHIIWJUGW-UHFFFAOYSA-N 480.634 4.244 50 10 JIGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2Cl)ccc1O 1865681580 QZJLVBPORSMBOS-NRFANRHFSA-N 450.926 4.470 50 10 JIGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cc(C)ccc2C)c1O 1865684508 RAZKHKAXHHBREG-GOSISDBHSA-N 470.451 4.499 50 10 JIGE CCCc1nn(CC(C)C)c2c1[C@H](c1cc(Br)c(O)c(OC)c1)C(C#N)=C(N)O2 1865689419 RSYCZBFRSGURLS-QGZVFWFLSA-N 461.360 4.186 50 10 JIGE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1cccc(OC)c1OC)C(C#N)=C(N)O2 1865701374 UJFLYEZJIKSMKZ-FQEVSTJZSA-N 450.926 4.383 50 10 JIGE Cc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865701873 HCNKOOICBWYASE-LJQANCHMSA-N 457.278 4.499 50 10 JIGE CCCN(CCC)C(=O)COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3CCC)cc1OC 1865709090 NLTPEWHCHCDFQJ-DEOSSOPVSA-N 495.624 4.110 50 10 JIGE CC(C)[C@@H](C(=O)N[C@@H](CO)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Cl)c(Cl)c1 1866992963 BOVIXUHYPBCBFJ-RBUKOAKNSA-N 466.390 4.422 50 10 JIGE C[C@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1cscc1Br 1914352085 YWPWOGIQKDESHT-LLVKDONJSA-N 453.221 4.485 50 10 JIGE BrCc1cc(Br)c(OCC[C@H]2COCCO2)c(Br)c1 1916635455 FOMIJYFGVIUPCV-JTQLQIEISA-N 458.972 4.291 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCNCc1ccc(I)cc1 1985350327 OOMOKHXBPJSADU-UHFFFAOYSA-N 468.426 4.287 50 10 JIGE CCOC(=O)Cc1ccc(CBr)c(OC(F)(F)F)c1I 2055271693 ABDIRCIDZUFPNU-UHFFFAOYSA-N 467.019 4.190 50 10 JIGE O=C(CCl)c1c(I)cc(OC(F)(F)F)cc1I 2060037000 UQUJREIIJCWPRW-UHFFFAOYSA-N 490.384 4.216 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@H](CCl)C2(CC2)C1 2087795741 RSQFYOGXIDKTDS-VIFPVBQESA-N 454.533 4.145 50 10 JIGE O=S(=O)(C[C@@H](Cl)c1scc(Br)c1Br)N1CCCCC1 2089388255 AZXMIZWENWHTQK-SECBINFHSA-N 451.633 4.369 50 10 JIGE O=C(NC[C@H](CCl)C(F)(F)F)c1cc(I)ccc1Br 2105269045 HDTZEMKWPXFSFR-LURJTMIESA-N 470.454 4.201 50 10 JIGE O=C(NC[C@H](CCl)C(F)(F)F)c1cc(Br)ccc1I 2105271860 SRRRTCKUERGABB-LURJTMIESA-N 470.454 4.201 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1CC[C@H](CBr)C12CC2 2133830487 IHSNXOXVAVLGTI-SECBINFHSA-N 454.533 4.334 50 10 JIGE Brc1ccc(Br)c(CN2CC[C@@]3(C[C@H](Br)CO3)C2)c1 2137129172 BBDMPMXHYUKFLE-GXTWGEPZSA-N 454.000 4.340 50 10 JIGE Cc1sc(C)c(S(=O)(=O)N2CCS[C@@H](CCBr)C2)c1Br 2143910210 INFHVYXZWMZSCH-JTQLQIEISA-N 463.282 4.019 50 10 JIGE CCN1CCC[C@@H]([C@H](Cl)c2cc(I)ccc2Br)S1(=O)=O 2145776825 XTBCJKOKEBEJDC-QWHCGFSZSA-N 492.604 4.148 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1CC[C@@H](CBr)C(F)(F)C1 2146375710 QVADZVUWIWHZKR-VIFPVBQESA-N 478.502 4.437 50 10 JIGE CC(C)(C)OC(=O)N1CC[C@H](C(F)(F)F)N(C(=O)[C@@H](Br)C2CCCC2)CC1 2167034414 RSTVRBIMFVXWTK-KGLIPLIRSA-N 457.331 4.340 50 10 JIGE C[C@H]1CN(C(=O)Cc2ccccc2I)CC[C@H]1CCBr 2172469368 WGBMAUFIRWTICQ-QWHCGFSZSA-N 450.158 4.103 50 10 JIGE Brc1cc(I)cnc1N1C[C@H](Br)CCC12CC2 2214757324 ADKYCFPQTFPELZ-MRVPVSSYSA-N 471.962 4.345 50 10 JIGE CNC(=O)C(C#N)=C1S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1cccc(OC)c1 2296506941 MIXPHWXRBQZUQR-SFHVURJKSA-N 462.358 4.174 50 10 JIGE CC(C)(C)OC(=O)NC1C[C@@H]2CSC[C@H](C1)C21CC[C@](C)(CI)O1 2302387272 HWDFILKZAQQPKL-GEHYHNTPSA-N 467.413 4.396 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@@H]2C[C@H](Br)[C@H]1C2 2309940026 JUWWKLOBRDQMEJ-INNHCVQGSA-N 484.957 4.052 50 10 JIGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)C(C#N)=Cc2ccc(OCC)cc2)c(OCC)c1 2314735857 GWZSZWYDCHIPSN-UHFFFAOYSA-N 460.486 4.467 50 10 JIGE CN(C[C@H]1C[C@@H](Br)C1)[C@H](CN)c1ccc(Cl)cc1I 2346312932 IAQMQPGAKHCBKG-ISTVAULSSA-N 457.581 4.050 50 10 JIGE BrCC(CBr)(Cc1ncc(I)cn1)c1ccccc1 2353069025 UWNFZEZXGXBFIZ-UHFFFAOYSA-N 495.984 4.352 50 10 JIGE O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NNC(=O)COc1cccc2ccccc12 12488393 UCCSLSLDJPDIAJ-UHFFFAOYSA-N 460.317 4.092 50 10 JIGE O=C(/C=C/c1ccc(Cl)cc1)NC(=S)NNC(=O)c1ccccc1OCc1ccccc1 14834042 XUDZKECJPBRLDA-NTCAYCPXSA-N 465.962 4.268 50 10 JIGE Cc1ccc(-c2ccc(/C=N\NC(=O)Cn3c(-c4nonc4N)nc4ccccc43)o2)cc1Cl 27500052 DBMXXVCYUDEULT-RAWMCFOBSA-N 475.896 4.041 50 10 JIGE CCOC(=O)C1=C(c2ccc(OC)cc2)OC(N)=C(C#N)[C@H]1c1ccc(OCC)c(OCC)c1 35576494 DXZCZWZBYCUUBV-JOCHJYFZSA-N 464.518 4.275 50 10 JIGE COCCn1c(C)cc(/C=C(/C#N)C(=O)OCC(=O)Nc2ccccc2C(=O)c2ccccc2)c1C 97654760 TZOYAFNQADFZRA-KQWNVCNZSA-N 485.540 4.071 50 10 JIGE CC(C)(C)OC(=O)N1C[C@H](I)[C@@H](OCc2cccc(Br)c2)C1 231319511 WVGYUCQLTOVTRD-KBPBESRZSA-N 482.156 4.389 50 10 JIGE O=C(NCC1(CBr)CCCCC1)c1ccc(I)c(O)c1 236585143 HUVNDXUKVWBQIC-UHFFFAOYSA-N 452.130 4.072 50 10 JIGE COc1ccccc1OCC(=O)NN=Cc1cc([N+](=O)[O-])ccc1N(CC(C)C)CC(C)C 254517082 JPQVDONUERTTJM-UHFFFAOYSA-N 456.543 4.251 50 10 JIGE Cc1ccc(N)c([C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)c1 382700569 CGMDFWAOIXSQKH-WMZOPIPTSA-N 450.320 4.364 50 10 JIGE C[C@H](CCCCBr)NS(=O)(=O)c1cc(Br)ccc1Br 398746079 URZYGBILYVMWOQ-SECBINFHSA-N 478.044 4.444 50 10 JIGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CC[C@H]2CC[C@H](Br)[C@H]1C2 722210794 HSMZEGXHMOXKCZ-KHQFGBGNSA-N 463.644 4.491 50 10 JIGE O=C(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)NNC(=O)c1ccc([N+](=O)[O-])cc1 725869194 SMWSGYOTBGDHSA-UHFFFAOYSA-N 475.892 4.105 50 10 JIGE COc1ccc(C=NNC(=O)c2cccc(NC(=O)c3cccc(Cl)c3)c2)c(C(=O)O)c1OC 1082753911 WWHDQIGWJDRFNB-UHFFFAOYSA-N 481.892 4.072 50 10 JIGE C=CCc1cc(C=NNC(=O)CN2CCOCC2)cc(OC)c1OCc1ccc(Cl)cc1Cl 1084119193 MFBUDALEBVEQIU-UHFFFAOYSA-N 492.403 4.092 50 10 JIGE CC(=O)Nc1ccc(C(=O)NN=Cc2cc(Br)ccc2OC(=O)Cc2ccccc2)cc1 1084438313 MGJUPGORNQXQFZ-UHFFFAOYSA-N 494.345 4.320 50 10 JIGE O=C(N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21)c1ccc(Br)o1 1860822992 SYPRDVKURHWKGI-NKFKGCMQSA-N 458.699 4.376 50 10 JIGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(F)cc2)[C@H]1c1ccc(O)cc1O 1865681261 IXIAIUDPNLJKDR-QFIPXVFZSA-N 454.461 4.367 50 10 JIGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3C)ccc1OCc1ccccc1 1865687247 NAKHBBVLRRRXMF-SFHVURJKSA-N 456.424 4.245 50 10 JIGE N#C/C(=C\c1ccccc1)C(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 1865909984 FXWGKWAPVLFFNF-XJMDBVJMSA-N 482.536 4.345 50 10 JIGE CC[C@@H](NC(=O)Cc1sc(NC(C)=O)nc1-c1cccs1)C(=O)Nc1ccc(SC#N)cc1 1866637206 RDSOQFYJYDVGMJ-MRXNPFEDSA-N 499.643 4.479 50 10 JIGE Cc1cc(C(=O)NCCSSCCNC(=O)OC(C)(C)C)sc1Br 2010828892 NMCRQTNMKHVNHT-UHFFFAOYSA-N 455.465 4.455 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@@H]2CC[C@H](Br)[C@H]2C1 2087937619 QZQHSPZTESMJHK-QWRKXWFKSA-N 498.984 4.299 50 10 JIGE O=C(N[C@@H]1C[C@H](CBr)[C@@H]2C[C@@H]12)c1ccc(I)c(Br)c1 2110543594 NEKANHNXQATWRK-BSTOTGJRSA-N 498.984 4.203 50 10 JIGE O=C(c1sccc1I)N1CC[C@@H]2CC[C@H](Br)C[C@@H]2C1 2139238223 MORXCHLVVADTIB-AXFHLTTASA-N 454.171 4.378 50 10 JIGE Cc1cc(C(=O)N[C@H](CCBr)C(F)(F)F)ccc1I 2142107713 UWVDHJAYLHUBKO-SNVBAGLBSA-N 450.036 4.045 50 10 JIGE O=C(c1ccc(Br)cc1I)N1[C@H]2CC[C@@H](C2)[C@H]1CCl 2142277733 UALPBHXPEJYDEO-GMOODISLSA-N 454.533 4.286 50 10 JIGE C#CC[C@@](C)(CCl)CNC(=O)c1ccc(Br)cc1I 2142281512 RCUKVBPPPUUNDN-AWEZNQCLSA-N 454.533 4.052 50 10 JIGE C[C@@H](CBr)[C@H]1CCCCN1C(=O)Cc1ccccc1I 2143873000 MTFFDXIJRCUQGN-SWLSCSKDSA-N 450.158 4.246 50 10 JIGE CCCN1CC[C@@H]([C@H](Br)c2cccc(Br)c2Br)S1(=O)=O 2148760687 MVOORNUYWOEVRV-WCQYABFASA-N 490.055 4.462 50 10 JIGE FC(F)(F)c1cnc(N2C[C@H]3C[C@@H](Br)C[C@H]3C2)c(I)c1 2185074941 REZQMBBVGUDRMI-DIYOJNKTSA-N 461.063 4.315 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2C[C@@H](F)C[C@H](Br)C2)cc1Br 2234680379 YPSYEBBXFLDAAI-IUCAKERBSA-N 494.018 4.016 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N1CC=CC[C@H]1CBr 2277930696 VAKJGGVTWLESFF-ZDUSSCGKSA-N 451.984 4.306 50 10 JIGE COc1ccc(CCNC(=O)C(C#N)=C2NC(=NC(=O)c3ccccc3Cl)c3ccccc32)cc1 2296532724 PNZUBHJXVOXWOL-UHFFFAOYSA-N 484.943 4.132 50 10 JIGE COc1cc(C=C2C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 2314617932 DGXBXDNFLJXXMP-NRFANRHFSA-N 476.504 4.185 50 10 JIGE CC(C)(C)OC(=O)N1CCN(C[C@]2(CBr)CC2(F)F)C[C@H]1CC(F)(F)F 2351890348 KAQUMYLAWCACFJ-BXUZGUMPSA-N 451.274 4.280 50 10 JIGE CC[C@H](C)NC(=O)c1cc(NC(=O)C(Cl)Cl)ccc1N1CCN(c2ccccc2OC)CC1 742022 GDBUGGTUZYBJGO-INIZCTEOSA-N 493.435 4.292 50 10 JIGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 12492008 CCJICQDLYKAXFB-UHFFFAOYSA-N 460.490 4.219 50 10 JIGE C/C(=N/NC(=O)CC12CC3CC(CC(C3)C1)C2)c1ccc(S(=O)(=O)NCc2ccco2)cc1 33496914 MVDFZERFUGYFRA-PKAZHMFMSA-N 469.607 4.205 50 10 JIGE CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(F)cc3)ccc21 38650453 CFLWEYGHSNOWIV-RUZDIDTESA-N 460.461 4.427 50 10 JIGE COc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccccc2)C(=O)CCl)cc1OC 97914562 BUGBELGGRTXKIL-DEOSSOPVSA-N 458.986 4.461 50 10 JIGE Cc1c(C(=O)NNC(=O)c2ccco2)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 101613752 KJPMCBMSJYOJDI-XHLNEMQHSA-N 496.523 4.393 50 10 JIGE O=C(c1cc(I)ccc1Br)N(CCBr)C1CC1 232486367 IDUQMTBDOOIBEN-UHFFFAOYSA-N 472.946 4.053 50 10 JIGE CC(C)N(CCOCCBr)C(=O)c1cc(Br)cc(Br)c1 312455607 DAGFELXJUKIULX-UHFFFAOYSA-N 472.015 4.474 50 10 JIGE C[C@@H](Br)[C@@H]1CCN(C(=O)c2cc(Br)ccc2I)C1 719920205 VHPNWXDTYRYEKQ-RKDXNWHRSA-N 486.973 4.299 50 10 JIGE CC(=O)CCc1ccc(OCc2cccc(C(=O)NNC(=O)CN3CCCc4ccccc43)c2)cc1 727364441 WJHYGLFRWCVKPU-UHFFFAOYSA-N 485.584 4.001 50 10 JIGE Cc1cccc(N2CCN(C(=O)/C(C#N)=C/c3cn(CCC#N)nc3-c3ccccc3)CC2)c1 914465445 DODUOEXACRXBMZ-PTGBLXJZSA-N 450.546 4.028 50 10 JIGE Cc1ccc(C(C)C)c(OCC(=O)NN=C2C(=O)N(CCOc3ccccc3)c3ccccc32)c1 1084257353 QWXVBWTZQBCJFB-UHFFFAOYSA-N 471.557 4.443 50 10 JIGE C/C(=C\C(=O)NNC(=O)CCCCCNC(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1 1453548247 MRBAAGMGNZNUHY-FYWRMAATSA-N 457.493 4.341 50 10 JIGE CC(=O)N1C[C@@H](CI)[C@@H](c2cc(Br)ccc2Br)C1 1614632796 FJDGGZBQVAZWRO-SKDRFNHKSA-N 486.973 4.209 50 10 JIGE C#Cc1cccc(NC(=S)NNC(=O)c2cc(Nc3nc(C)cc(C)n3)ccc2Cl)c1 1644013272 MTIHADPBENKNCY-UHFFFAOYSA-N 450.955 4.103 50 10 JIGE Cc1nc(-c2ccc(F)cc2F)ccc1C(=O)NNC(=O)Cc1ccc(Br)s1 1865759895 XLMUOENOBPGFDK-UHFFFAOYSA-N 466.307 4.163 50 10 JIGE O=C(NNc1ccccn1)[C@@H]1CCCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 1873777738 QPXWEBGFQBMXBL-GFCCVEGCSA-N 460.378 4.115 50 10 JIGE CC(C)(C)OC(=O)N1CCOC2(CCC3(CC2)CC[C@](C)(CI)O3)C1 2040451461 OKOOHCVCZDVNKH-LMDPOFIKSA-N 465.372 4.309 50 10 JIGE CN1C(=C(C#N)C(=O)COC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)Sc2ccccc21 2040463672 JJFJYRMPAQMSKA-UHFFFAOYSA-N 494.532 4.089 50 10 JIGE O=C(Cl)c1c(I)cc(C(F)(F)F)cc1I 2060052418 BUNBNFKJZMPAHB-UHFFFAOYSA-N 460.358 4.294 50 10 JIGE CCc1cc(I)c(CBr)cc1I 2060220150 OQVJDCHPIDSHQE-UHFFFAOYSA-N 450.883 4.353 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@@H](CCl)C2(CC2)C1 2087794168 CUUPNPMFOUFOKJ-SECBINFHSA-N 454.533 4.145 50 10 JIGE CC[C@@H]1CN(S(=O)(=O)c2cc(Cl)c(Br)s2)C[C@H]1CBr 2140781980 FGTUOSDLEPASMB-HTQZYQBOSA-N 451.633 4.206 50 10 JIGE FC(F)(F)c1cnc(N2C[C@@H](Br)[C@@H](C3CC3)C2)c(I)c1 2146826952 JNUAFDXVIZKVCZ-NXEZZACHSA-N 461.063 4.315 50 10 JIGE O=C(c1ccc(I)c(O)c1)N(CCBr)Cc1cccs1 2171090082 CNUUASAOBALDOV-UHFFFAOYSA-N 466.138 4.096 50 10 JIGE O=S(=O)(c1ccc(F)c(CBr)c1)N1CC2(CC(OCc3ccccc3)C2)C1 2179780925 UDHACGMFRBCJOQ-UHFFFAOYSA-N 454.361 4.091 50 10 JIGE C[C@H]1CN(Cc2ccccc2)[C@H](C)CN1S(=O)(=O)c1ccc(CBr)cc1F 2179785732 QENPWTWXKBJSRE-CVEARBPZSA-N 455.393 4.004 50 10 JIGE Cc1oc(C)c(S(=O)(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)c1CBr 2179788355 BFGAVHSKGQJNMA-HNNXBMFYSA-N 455.418 4.076 50 10 JIGE Cc1c(CBr)cc(Cl)cc1S(=O)(=O)N1CCN(Cc2ccccc2)C[C@H]1C 2179862315 UNTVXPDBYCOVNB-OAHLLOKOSA-N 471.848 4.438 50 10 JIGE O=C(c1cc(Br)ccc1I)N1[C@H]2CC[C@H]1[C@@H](F)[C@H](Cl)C2 2190669983 HNMZCTDKZOGYCQ-JAAHAHCPSA-N 472.523 4.376 50 10 JIGE O=C(c1scc(Br)c1Br)N1CCO[C@@H]2C[C@@H](CBr)C[C@H]21 2199777329 NKSIQQWRGBGION-FXBDTBDDSA-N 488.039 4.288 50 10 JIGE O=C(NC[C@]12CCC[C@@]1(CBr)C2)c1ccc(F)cc1I 2208039614 MAVIBTNABPDAAF-LSDHHAIUSA-N 452.105 4.115 50 10 JIGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)C1=CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 2314578970 FZNRQERXPMTREE-UHFFFAOYSA-N 456.380 4.318 50 10 JIGE Clc1ccc(CN2CCO[C@@H]3C[C@@H](Br)C[C@H]32)c(I)c1 2341045993 DTTYMOZRDGHPJX-ZLKJLUDKSA-N 456.549 4.071 50 10 JIGE Clc1ccc(I)cc1CN(CCBr)C1CCOCC1 2353637817 FVOUMGQBHYBUPZ-UHFFFAOYSA-N 458.565 4.321 50 10 JIGE Clc1ccc(CN2CCCN(CCCBr)CC2)c(I)c1 2366681277 VDURAEMKMBMFFW-UHFFFAOYSA-N 471.608 4.237 50 10 JIGE O=S(=O)(N[C@@H]1C[C@@H](CBr)C12CCC2)c1cc(Cl)c(Br)s1 2379716238 BTACCJAKRFFYNT-IONNQARKSA-N 463.644 4.396 50 10 JIGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)CCc1ccccc1Cl 10460296 QBONWYABCXLDTL-LLVKDONJSA-N 474.797 4.069 50 10 JIGE CC[C@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)COc2ccccc2-c2ccccc2)c1 10670219 DQMGWQOLLXCFCR-SFHVURJKSA-N 477.586 4.245 50 10 JIGE O=C(COc1ccc2ccccc2c1)NNC(=O)c1ccccc1OCCOc1ccccc1 14040558 ZPSFLCNHGRZXAD-UHFFFAOYSA-N 456.498 4.138 50 10 JIGE Cc1cc(Cl)ccc1OCC(=O)NNC(=O)COc1ccc(Br)cc1C(C)(C)C 14668187 AGHIUGBYIKRFPW-UHFFFAOYSA-N 483.790 4.314 50 10 JIGE CC(C)(C)OC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(Br)cc3)[C@@H]2C1 16034242 JQADNVVRNPBNCI-RTBURBONSA-N 480.366 4.110 50 10 JIGE Cc1c(NC(=O)NC(=O)c2c(F)cccc2F)ccc(S(=O)(=O)C(F)(F)[C@@H](F)Cl)c1C 31500293 RVCSBNAOWPJLGO-MRXNPFEDSA-N 484.830 4.444 50 10 JIGE Cc1cccn2c(=O)c(/C=C(/C#N)S(=O)(=O)c3ccccc3)c(Oc3ccccc3F)nc12 33368913 DSLQFTKULSSGMB-JXAWBTAJSA-N 461.474 4.273 50 10 JIGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)cc1 38688574 ZQZQCBJGTPOFTA-FTJBHMTQSA-N 482.492 4.215 50 10 JIGE COc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(O)cc2)CCC3)c(OC)c1 40812064 OGHOYFPRGNRMGQ-ZXVVBBHZSA-N 463.490 4.034 50 10 JIGE COc1cc(/C=N/NC(=O)COc2cc(Cl)ccc2Cl)cc(Br)c1OC 40911947 QXIBKNMWCNIKDV-ODCIPOBUSA-N 462.127 4.302 50 10 JIGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)cc1 58893397 OMPGIKVSNSEBQW-GJVLPJBHSA-N 463.534 4.155 50 10 JIGE Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/NC(=O)c2cc(F)c(F)cc2Cl)cc1 59148531 QCHQBIRALMDUAM-BRJLIKDPSA-N 464.877 4.458 50 10 JIGE CCOC(=O)c1sc(NC(=O)/C(C#N)=C\c2ccc(OCC)c(OC)c2)c(C(=O)OCC)c1C 206244114 CXSLBNKEERFJFY-WJDWOHSUSA-N 486.546 4.363 50 10 JIGE COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OC(=O)c1c(OC)cccc1OC 206394295 NJLLYKPERUZSQJ-ZHZULCJRSA-N 472.497 4.155 50 10 JIGE C[C@@H]1C[C@@H](CBr)CN(S(=O)(=O)c2cc(Br)ccc2Br)C1 398690587 NRVXRRVQLLNXDT-ZJUUUORDSA-N 490.055 4.253 50 10 JIGE CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)NNC(=O)c1ccc(COc3ccccc3)o1)O[C@H](C)C2 730516640 BOFQJKZRHHJGLJ-QGCDCVKKSA-N 476.529 4.145 50 10 JIGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc(F)cc2-c2ccc(F)cc2)cc1 1199940203 ZASUDSRRAMQLCS-HNNXBMFYSA-N 453.445 4.455 50 10 JIGE Cn1c([C@@H](NC(=O)NNC(=O)c2ccc(Br)cc2)c2ccccc2)nc2ccccc21 1322306908 CFFAVVRWTUYQLJ-FQEVSTJZSA-N 478.350 4.069 50 10 JIGE C=CCN1CC[C@H](N(C)C(=O)/C(C#N)=C\c2cc(C)n(-c3cccc4ccccc34)c2C)C1=O 1524312195 CQAWKLKJCMUHFR-FGSNJIQSSA-N 452.558 4.400 50 10 JIGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1)CCC2 1772744395 WRQTZGPWIAHZBL-UHFFFAOYSA-N 499.354 4.440 50 10 JIGE COc1cc2c(cc1OC)CN(C(=O)[C@@H](Br)Cc1ccccc1Br)CC2 1858181030 DODCYGDRPGPNKI-KRWDZBQOSA-N 483.200 4.357 50 10 JIGE CN1CCC[C@H]([C@H](Br)c2scc(Br)c2Br)S1(=O)=O 2029049152 FTERQUJOIUZWDL-APPZFPTMSA-N 482.057 4.133 50 10 JIGE CCN1CC[C@@H]([C@@H](Br)c2csc(Br)c2Br)S1(=O)=O 2032953594 MIKPPRNALXCDCY-YUMQZZPRSA-N 482.057 4.133 50 10 JIGE O=C(c1c(Br)cccc1Br)N1CCS[C@H](CBr)C1 2033086510 MXZKDVNVMQYBIA-MRVPVSSYSA-N 458.013 4.164 50 10 JIGE O=C(NC[C@H](Cl)CC(F)(F)F)c1ccc(I)c(Br)c1 2119072078 ZGZJHCBTXJDUQD-SSDOTTSWSA-N 470.454 4.343 50 10 JIGE Brc1ccc(Br)c(CN2CC[C@]3(C[C@@H](Br)CO3)C2)c1 2137129174 BBDMPMXHYUKFLE-OCCSQVGLSA-N 454.000 4.340 50 10 JIGE O=C(N[C@@H](CCl)CC(F)(F)F)c1ccc(Br)cc1I 2142277986 XGSVUQPTAPSGGA-SSDOTTSWSA-N 470.454 4.343 50 10 JIGE Cn1nc([C@H](Br)c2cc3c(cc2Br)OCCO3)cc1Br 2150478161 HDLVXNVPSIAOFQ-CYBMUJFWSA-N 466.955 4.201 50 10 JIGE FC(F)(F)c1cnc(N2CCC[C@](F)(CBr)C2)c(I)c1 2157519061 UGRFKZIIPXMDCU-NSHDSACASA-N 467.042 4.408 50 10 JIGE FC1(F)CCOC[C@H]1[C@H](Br)c1cc(I)cc2c1OCC2 2166683687 PNVRXBSGNYSOKZ-NWDGAFQWSA-N 459.068 4.334 50 10 JIGE C[C@H]1CCN(Cc2ccccc2)CCN1S(=O)(=O)c1ccc(F)c(CBr)c1 2179789962 YARRPDYCTOESBE-INIZCTEOSA-N 455.393 4.006 50 10 JIGE CC(C)n1cc(S(=O)(=O)N(C)[C@@H]2CC[C@@H]2OCc2ccccc2)cc1CBr 2179859220 AAAFKZKIKRUICZ-UXHICEINSA-N 455.418 4.332 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CC[C@@H](C(F)(F)CCl)C1 2207264382 DZXLLOOOCRIAKV-MRVPVSSYSA-N 478.502 4.390 50 10 JIGE C=CCNC(=O)C(C#N)=Cc1ccc(OC(=O)C(C#N)=Cc2ccc(OCCC)cc2)c(OC)c1 2293198106 MULWEZPXPRFATC-UHFFFAOYSA-N 471.513 4.206 50 10 JIGE CC(C)(C)OC(=O)N1CCC(CI)(OC[C@@H]2C[C@@]23CC3(F)F)CC1 2307387532 VJHVDPFQNOPXIW-BLLLJJGKSA-N 457.299 4.253 50 10 JIGE O=C(C=Cc1ccc(Cl)cc1)NC(=S)NNC(=O)COc1ccccc1-c1ccccc1 2313864470 PJLLDVKEPCIMLL-UHFFFAOYSA-N 465.962 4.121 50 10 JIGE O=C(N[C@@H]1C[C@@H]2C[C@H]1C[C@@H]2Br)c1ccc(I)c(Cl)c1 2330898943 CLZZIENLLALSNP-AVWBDOJWSA-N 454.533 4.236 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@@]2(CBr)CC[C@H]1C2 2336473469 NBCOHGSPVZYGTK-HZMBPMFUSA-N 498.984 4.443 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1CCSC[C@@H]1CCBr 2340063058 GYYMCDQCUIXDND-JTQLQIEISA-N 474.589 4.287 50 10 JIGE C[C@]1(CCl)COCCN(Cc2ccc(I)c(Br)c2)C1 2349857782 QNIYQYJSIQGLOF-CQSZACIVSA-N 458.565 4.131 50 10 JIGE CC(C)(C)OC(=O)N[C@]12CCC(F)(F)C[C@@H]1CN(C[C@@]1(CBr)CC1(F)F)C2 2379984238 LLQWQALSLQTTEX-KCXAZCMYSA-N 459.322 4.421 50 10 JIGE CC(C)(C)OC(=O)NCC[S@@](=O)(=NC[C@]1(CBr)CC1(F)F)c1ccccc1 2379985779 VKXYBFMEGHFNID-CRYYWNKWSA-N 467.376 4.459 50 10 JIGE COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(Cl)cc3C)cc2)cc1OC 33959256 RQHDULNSLAGIOH-MZJWZYIUSA-N 482.920 4.414 50 10 JIGE CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)cc1 38700684 YHDKGSIWOHWWHW-DNQXCXABSA-N 472.522 4.372 50 10 JIGE O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)C(=O)Nc1ccccc1 48572427 LHMCVNUPXGJXAY-CVKSISIWSA-N 488.345 4.391 50 10 JIGE CC(=O)N1CCc2cc(Br)cc(NC(=O)NC[C@@]3(C)C[C@@H](N=C=O)CC(C)(C)C3)c21 170290031 AONHFKPUTMZTFC-JTSKRJEESA-N 477.403 4.400 50 10 JIGE COCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)c2ccc(-c3ccccc3)cc2)c(OC)c1 206435069 WGNNGUBABFFASK-KQWNVCNZSA-N 456.498 4.251 50 10 JIGE CN(CC1CC(Br)C1)C(=O)c1cc(I)ccc1Br 234281254 OTJQBTRXCNTRHS-UHFFFAOYSA-N 486.973 4.299 50 10 JIGE COc1ccc(CSCC(=O)NN=Cc2ccc(OCC(=O)Nc3ccccc3)cc2)cc1 254294576 OPHIJMMOCBFEEL-UHFFFAOYSA-N 463.559 4.096 50 10 JIGE CC(C)(C)NNC(=O)[C@@]12CC[C@@](C(Br)Br)([C@@H]1Br)C2(C)C 256020009 RDGHVZOPKCFRNT-ULCPSODYSA-N 475.063 4.092 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CCC[C@H]1CBr 721594128 NRTFEGSHFBIIIS-VIFPVBQESA-N 472.946 4.053 50 10 JIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)cc2)ccc1O 1088736366 XTDKOQVHPXLOQR-MRXNPFEDSA-N 462.815 4.477 50 10 JIGE C/C(=C\c1ccc(Br)o1)C(=O)NNC(=O)[C@@H](C)Oc1c(C)cc(Cl)cc1C 1628196397 ICWXTCXAMDZTHR-CNELAYHGSA-N 455.736 4.331 50 10 JIGE CCOc1cc(OCC)cc(C(=O)NNC(=O)c2ccc(-c3ccc(F)c(F)c3)nc2C)c1 1865757150 PCLCBOMDSYMMTE-UHFFFAOYSA-N 455.461 4.207 50 10 JIGE CC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(CCC(C)C)C2=O)C(=O)Nc1ccc(SC#N)cc1 1866619307 BMAZVYBJNRHDGC-OAQYLSRUSA-N 478.574 4.049 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H]2CCC[C@H]12 1985351681 IZCVETCHIQBWEB-BRWVUGGUSA-N 461.694 4.270 50 10 JIGE BrC[C@H]1CCCCN1c1ncc(I)cc1Br 1988540073 UEBIBQBNLVXFOG-SECBINFHSA-N 459.951 4.203 50 10 JIGE C[C@H]1CN(S(=O)(=O)c2ccc(CCl)c(Br)c2)CCN1Cc1ccccc1 2088572150 YSYOFPXSYNQTTF-HNNXBMFYSA-N 457.821 4.083 50 10 JIGE O=C(c1cc(Br)sc1Br)N1CC[C@@]2(C[C@@H](Br)CO2)C1 2137134821 VIKIIOJPDRVYDW-JMCQJSRRSA-N 474.012 4.042 50 10 JIGE CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1NS(=O)(=O)c1ccc(CBr)cc1 2162593325 DCTPHBHAUCOCOO-SJORKVTESA-N 461.422 4.086 50 10 JIGE CN([C@@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(F)ccc1CBr 2179789395 PYJNYHZIZWYRJY-LJQANCHMSA-N 455.393 4.006 50 10 JIGE CC(C)(C)CCN(CCBr)C(=O)c1cc(I)ccc1O 2289888149 RHTMXMFCUQAFLJ-UHFFFAOYSA-N 454.146 4.270 50 10 JIGE O=C(c1ccc(Br)cc1Br)N1C[C@H]2C[C@@H](CBr)[C@H]2C1 2330495921 SPJGQVRJRORNHB-YGOYTEALSA-N 451.984 4.315 50 10 JIGE COc1cc(C)c(-c2csc(C(C#N)=C(O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n2)cc1C 2331403690 DIBKNDZKNMVVRQ-UHFFFAOYSA-N 490.497 4.433 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1CC[C@]12C[C@@H](CBr)C2 2340053280 YLENGTZGDVEHQU-KMHCFJFGSA-N 454.533 4.334 50 10 JIGE O=C(NCC(F)(F)C(F)(F)CBr)c1ccc(I)c(Cl)c1 2361682378 RYKXDELMASCOBY-UHFFFAOYSA-N 488.444 4.340 50 10 JIGE CC[C@@H](Oc1ccccc1[C@H](C)CC)C(=O)NNC(=O)COc1ccc(Br)cc1 10683489 GJHCVUOWFFNZNI-DNVCBOLYSA-N 463.372 4.346 50 10 JIGE O=C(NNC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1c[nH]c2ccc(Cl)cc2c1=O 32605268 XHBBTVQTDGJHIZ-UHFFFAOYSA-N 468.900 4.472 50 10 JIGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)c2cccc(Br)c2)c(Br)c1 100446281 IVDXCGFFPKWKAY-UHFFFAOYSA-N 484.188 4.349 50 10 JIGE C=CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccc([N+](=O)[O-])cc3)nc2-c2ccccc2)C1=O 101231101 ISDMOKWNQCEYLC-HYARGMPZSA-N 465.469 4.226 50 10 JIGE COc1ccccc1/C=C\C(=O)Oc1ccc(/C=C(\C#N)C(=O)NCc2ccco2)cc1OC 206521028 XTQHUOKLMYFZQZ-HKKBLDRRSA-N 458.470 4.139 50 10 JIGE N#C/C(=C/Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccc(S(=O)(=O)O)cc1 216948230 YBQQWHWWBNKQTE-KTKRTIGZSA-N 479.358 4.429 50 10 JIGE COc1ccc(N2C[C@@H](C(=O)NN=Cc3ccccc3OCc3ccccc3Cl)CC2=O)cc1 252592232 BDVJOXKNKZLJAY-FQEVSTJZSA-N 477.948 4.431 50 10 JIGE CCOC(=O)c1c(-n2c(C)cc(C=NNC(=O)c3ccc([N+](=O)[O-])cn3)c2C)sc2c1CCCC2 254738795 LDHDRYDCLCYLKC-UHFFFAOYSA-N 495.561 4.278 50 10 JIGE Cc1nnc(SCC(=O)NN=Cc2cn(CCOc3ccccc3C)c3ccccc23)s1 254824975 QNXVCQQGZLAFCL-UHFFFAOYSA-N 465.604 4.431 50 10 JIGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccccc3[N+](=O)[O-])n2-c2ccccc2)cc1 263631869 AWBHWCIGDUWIQX-UHFFFAOYSA-N 488.529 4.094 50 10 JIGE CS(=O)(=O)CCCCOc1c(Br)cc(CBr)cc1Br 706017157 LGWMDEJMPCJPHV-UHFFFAOYSA-N 479.028 4.310 50 10 JIGE CC1CCN(C[C@H]2CCCN(C(=O)/C(C#N)=C\c3cn(CCC#N)nc3-c3ccccc3)C2)CC1 748223474 HFTRSOOKOOYRJA-BQHBAAMWSA-N 470.621 4.341 50 10 JIGE Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NNC(=O)CSc1ccccc1[N+](=O)[O-] 1088677897 WBILVASAXQMCJI-UHFFFAOYSA-N 481.317 4.418 50 10 JIGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(OC)c(OC)c1)C(C#N)=C(N)O2 1865707984 LCZSEMWPDYPXMV-FQEVSTJZSA-N 481.350 4.433 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 1985351057 ZMYHIGQAICVOFC-IXDOHACOSA-N 461.694 4.128 50 10 JIGE BrC[C@@H]1[C@H]2CC[C@@H](C2)N1c1ncc(I)cc1Br 2015762817 PQGUVPMFOLSRFV-OVYXKVPISA-N 471.962 4.201 50 10 JIGE CCN1CC[C@@H]([C@@H](Br)c2scc(Br)c2Br)S1(=O)=O 2029068655 OLPVRMOQZLUYIW-IONNQARKSA-N 482.057 4.133 50 10 JIGE COc1ccc(N2C(=O)C(=CNNC(=O)C34CC5CC(CC(C5)C3)C4)c3ccccc3C2=O)cc1 2040441442 DPUACPHHBRNBBJ-UHFFFAOYSA-N 471.557 4.060 50 10 JIGE O=C(N[C@@H]1C[C@H](CBr)[C@@H]2C[C@H]12)c1cc(Br)ccc1I 2110549052 LEUOQXAPKXVTBC-ZRPKBAQZSA-N 498.984 4.203 50 10 JIGE O=S(=O)(NC[C@@H]1CCCC2(CCC2)[C@@H]1Br)C1CC(OCc2ccccc2)C1 2161299039 WJEBUBHAIDNYAJ-DCCYDQLOSA-N 456.446 4.388 50 10 JIGE CN(Cc1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(CCl)cc2Br)C1 2169152574 BFMNNKPVCWXLIO-GOSISDBHSA-N 471.848 4.473 50 10 JIGE O=S(=O)(c1ccsc1CBr)N1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 2179869845 DBSMRQJSPTUSHH-ZWKOTPCHSA-N 469.470 4.318 50 10 JIGE CC(C)(C)OC(=O)N1CCc2sccc2[C@H]1CNC(=O)N1CCC(Br)CC1 2194004143 WWNMAFHJHNWCBQ-OAHLLOKOSA-N 458.422 4.151 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N[C@H](CBr)C(F)(F)F 2277915341 KCKTXKDXLHKANO-SECBINFHSA-N 467.905 4.196 50 10 JIGE C[C@@]1(CBr)C=CCCN1S(=O)(=O)c1cc(Br)ccc1Br 2279062901 BFGXEPIVHMMNSA-ZDUSSCGKSA-N 488.039 4.316 50 10 JIGE COc1cc(C=C(C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OCCN1CCOCC1 2295360278 JNFQDGSSHHTTBX-UHFFFAOYSA-N 476.360 4.259 50 10 JIGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(CC)cc1 2314754907 HPEWSEUHHOVEGP-UHFFFAOYSA-N 474.513 4.448 50 10 JIGE N#CC(=CN1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)Nc1cccc(C(=O)O)c1 2318454185 IDOXKOQSOMCWOE-UHFFFAOYSA-N 466.541 4.138 50 10 JIGE COc1ccc(C=NNC(=O)CSc2nc(O)c3c(-c4ccccc4)csc3n2)cc1OC 2320486355 AUHRGRHYPRRHRU-UHFFFAOYSA-N 480.571 4.324 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1CCC2CC1(CBr)C2 2340060565 DORGUWFLCRKOFY-UHFFFAOYSA-N 454.533 4.334 50 10 JIGE CC(C)(C)OC(=O)N1CCC(CI)(OCc2cnc3c(c2)CCC3)CC1 2342218724 TVJXGBHRBAWMRN-UHFFFAOYSA-N 472.367 4.292 50 10 JIGE CC(C)[C@@H](Br)C(C)(C)CNC(=O)Cc1ccccc1I 2365990206 DKAQGEYUKDAXKY-OAHLLOKOSA-N 452.174 4.396 50 10 JIGE C/C(=N/NC(=O)COc1c(C)cc(Br)cc1Br)c1ccc([N+](=O)[O-])cc1 12483474 PJRVXDJNNMUCKB-JAIQZWGSSA-N 485.132 4.347 50 10 JIGE CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1 14037333 WVJYZNZMBUSPOM-GOSISDBHSA-N 479.602 4.368 50 10 JIGE Cc1c(C(=O)N2CCN(c3ccccc3)CC2)oc2c1/C(=N/NC(=O)c1ccccc1)CCC2 40804004 UMWQLMVYWZGNBJ-XAYXJRQQSA-N 456.546 4.021 50 10 JIGE CCCCCCOc1ccc(C(NC(=O)C(Cl)Cl)NC(=O)C(Cl)Cl)cc1OC 100917010 PNKJFOCXBYWKNY-UHFFFAOYSA-N 474.212 4.493 50 10 JIGE COC(=O)[C@H](Br)COc1ccc(-c2ccc(I)cc2)cc1 159878113 DFTKMYBZULKZFW-OAHLLOKOSA-N 461.093 4.274 50 10 JIGE COc1cc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(N)=O)cc2OC)ccc1OCc1ccccc1 206507751 KSLKFWPFFDNNCM-HHLUSPNUSA-N 484.508 4.294 50 10 JIGE O=C(NNC(=O)C1CCN(c2nc3ccccc3s2)CC1)c1ccc(COc2ccccc2)o1 303186731 LTSGYRGNPOQGBU-UHFFFAOYSA-N 476.558 4.146 50 10 JIGE CC1(C)CN(S(=O)(=O)c2cc(Br)ccc2Br)CC[C@@H]1Br 313016297 XDTVNHZKHKUJGE-LBPRGKRZSA-N 490.055 4.396 50 10 JIGE BrCC(CBr)(C[C@@H]1COCCO1)c1cccc(Br)c1 690877489 KMIUVCZYLASZEQ-CYBMUJFWSA-N 457.000 4.282 50 10 JIGE C[C@H](Br)[C@@H]1CCCCN1S(=O)(=O)c1cc(Cl)c(Br)s1 708496055 JLIYXRDTESAEIU-CBAPKCEASA-N 451.633 4.491 50 10 JIGE Cc1cc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)c(C)n1C[C@H]1CCCO1 852997398 CBYXDJVIXHMKSA-NDRMDLGFSA-N 492.601 4.183 50 10 JIGE Cc1cc(N2C(=O)NC(=O)/C(=C/c3ccc(N(C)CCCl)cc3)C2=O)ccc1Br 1083909660 JNFVXFUZDQOBPC-ATVHPVEESA-N 476.758 4.099 50 10 JIGE O=S(=O)(Nc1cc(F)ccc1I)c1ccc(CBr)cc1 1260508086 CMQXBNAVZRGJBB-UHFFFAOYSA-N 470.101 4.126 50 10 JIGE C[C@H]1Cc2ccccc2N1Cc1ccoc1C(=O)NNC(=O)c1ccc(Br)cc1 1318299500 QTELDDOHTNDMAB-AWEZNQCLSA-N 454.324 4.068 50 10 JIGE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NNc2ncccc2C)c1 1466888415 INPAOEDLUBRFSH-UHFFFAOYSA-N 456.955 4.182 50 10 JIGE CC(=O)c1cnc(NC(=O)CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)s1 1618476163 PFBCKAJSJUTCHC-UHFFFAOYSA-N 452.652 4.251 50 10 JIGE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@H]2c1cc(Br)ccc1O 1865697094 WZMFMSZKADOYAP-GOSISDBHSA-N 467.323 4.265 50 10 JIGE CN(CCN(Cc1ccccc1)S(=O)(=O)[C@H](CBr)C1CC1)Cc1ccccc1 1885377738 FNBRPWYYSMGYDQ-JOCHJYFZSA-N 465.457 4.124 50 10 JIGE O=C(NC1CC([C@H](F)CCl)C1)c1ccc(I)c(Br)c1 1906453077 KTHUYSWQXFNYQJ-NWGYLPEXSA-N 460.512 4.139 50 10 JIGE C[C@@H](Br)[C@H]1CCN1C(=O)c1ccc(Br)cc1I 2026216526 GCFDJWOHDLHFLK-RDDDGLTNSA-N 472.946 4.052 50 10 JIGE CN(C[C@H]1C[C@H](Br)C1)[C@H](CN)c1scc(Br)c1Br 2076250863 QTVWSPHHWYJVSQ-NQMVMOMDSA-N 461.061 4.378 50 10 JIGE CC(F)(F)C[C@H](CBr)NC(=O)c1cc(Cl)ccc1I 2113236150 RBMCIJXGKCZHOG-MRVPVSSYSA-N 466.491 4.483 50 10 JIGE O=C(c1csc(I)c1)N1C[C@]2(F)CCC[C@]2(CBr)C1 2120131526 UCEAMQFILFCGFK-QWHCGFSZSA-N 458.134 4.082 50 10 JIGE Clc1ccc(I)c(CN2C[C@H](CBr)OCC23CC3)c1 2127539284 SGLVEUHCEVOZNQ-LBPRGKRZSA-N 456.549 4.073 50 10 JIGE CCCN1CC[C@@H]([C@H](Br)c2cc(Br)ccc2Br)S1(=O)=O 2145770059 RKIJTZYFVWUSEF-QWHCGFSZSA-N 490.055 4.462 50 10 JIGE C[C@H](CN(C)S(=O)(=O)c1cc(CBr)sc1Br)C(F)(F)F 2179792164 CDXMGAFAVKAKLW-ZCFIWIBFSA-N 459.147 4.224 50 10 JIGE O=S(=O)(c1ccc(CBr)s1)N1CCC[C@@H]1[C@H]1CCN(Cc2ccccc2)C1 2179810223 CNNVENURWDQJFV-PKOBYXMFSA-N 469.470 4.318 50 10 JIGE CN(C[C@H]1C[C@@H](Br)C1)S(=O)(=O)c1ccc(CBr)cc1Br 2196929171 BVFZKPHUFXMWJW-PHIMTYICSA-N 490.055 4.138 50 10 JIGE C[C@@]1(CCOCc2ccccc2)CCN1S(=O)(=O)c1ccc(F)c(CBr)c1 2197751056 BXXGWBULJJWKJZ-FQEVSTJZSA-N 456.377 4.481 50 10 JIGE F[C@@H]1C[C@H](Br)CN(c2ncc(C(F)(F)F)cc2I)C1 2226304913 FJRNATRJPALDJL-JGVFFNPUSA-N 453.015 4.017 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)NC[C@H](CBr)C1CC1 2277922668 BHVIRLOMQVBMJK-NSHDSACASA-N 454.000 4.291 50 10 JIGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NC[C@@H]2CCCO2)cc1 2296729352 CQEDHRGZIHNTAU-VWLOTQADSA-N 454.530 4.306 50 10 JIGE N#CC(=Cc1cn(CC(=O)N2CCOCC2)c2ccccc12)C(=O)Nc1ccc(Cl)cc1Cl 2297465948 APRVBKDUIOFISF-UHFFFAOYSA-N 483.355 4.353 50 10 JIGE COCCNC(=O)Cn1cc(C=C(C#N)C(=O)Nc2ccc3ccccc3c2)c2ccccc21 2297552032 MLCPRDONCRETOR-UHFFFAOYSA-N 452.514 4.103 50 10 JIGE COCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)C[C@@H](C)O3)C(C)=C(C#N)C1=O 2314618715 SFXRRWHFHFMWBT-GOSISDBHSA-N 494.551 4.101 50 10 JIGE CCCCOc1ccc(C=C(C#N)C(=O)Nc2sc3c(c2C(=O)OC)[C@@H](C(=O)OC)CC3)cc1 2314735444 UHKMLXMAKPAHRN-SFHVURJKSA-N 482.558 4.462 50 10 JIGE C[C@@H]1CN(CCOCCI)c2ccccc2CN1C(=O)OC(C)(C)C 2326655422 XLMLFOUAAKKPKI-OAHLLOKOSA-N 460.356 4.084 50 10 JIGE COc1ccc(-c2csc(C(C#N)=C(O)CCN3C(=O)c4ccccc4C3=O)n2)c(OC)c1 2331385932 VKWJKJSBWXXVGA-UHFFFAOYSA-N 461.499 4.306 50 10 JIGE Clc1ccc(CN2CCC3(CC2)C[C@@H](Br)CO3)cc1I 2362384332 YXWASOPVKZIVGV-GFCCVEGCSA-N 470.576 4.463 50 10 JIGE CC(C)[C@H](Br)C(=O)N1CC[C@@H](CCNC(=O)OC(C)(C)C)C[C@@H]1C(F)(F)F 2362754311 SZXHYJPOGVZKFC-MCIONIFRSA-N 459.347 4.490 50 10 JIGE Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)CCC(=O)c1ccc(Br)cc1 12688656 UXABZWCASUEXNB-UHFFFAOYSA-N 472.364 4.305 50 10 JIGE Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=O)c1cc(Br)ccc1OC(C)C 14667979 AOGYTFWCCTXJFX-UHFFFAOYSA-N 496.789 4.378 50 10 JIGE C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)N/N=C/c4ccc(Br)cc4)c(=O)c23)C1 35582960 GDXPXPDDUANXGF-JYEJNAJNSA-N 473.396 4.057 50 10 JIGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc32)c(OC)c1 38656884 KZRNNEDOLRLLIY-QHCPKHFHSA-N 473.441 4.049 50 10 JIGE CC(=O)Nc1ccc(Nc2ncnc(NNC(=O)C(c3ccccc3)c3ccccc3)c2N)cc1 40794900 HXGXNKFLOLAFSR-UHFFFAOYSA-N 467.533 4.036 50 10 JIGE CCCOc1c(Br)cc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)cc1OC 58978692 YXHGRENFYHQFKB-FRKPEAEDSA-N 473.323 4.199 50 10 JIGE Cc1nc2ccccc2n1CC(=O)N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21 59181255 ZDODOEQLSYBGQH-OLFWJLLRSA-N 457.921 4.065 50 10 JIGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)c2cccc(Br)c2)cc1 100446182 RBGCBHJEHSPLFI-UHFFFAOYSA-N 452.308 4.085 50 10 JIGE C/C(CC(=O)Nc1ccc([N+](=O)[O-])cc1)=N\NC(=O)[C@H]1CC1(c1ccccc1)c1ccccc1 105654224 QAXADMXMGIQETI-ZAVGGQCXSA-N 456.502 4.422 50 10 JIGE O=C(NC[C@@H]1CCC[C@H]1CCl)c1cc(Br)ccc1I 236020297 DPWUVMGOLWKGKB-UWVGGRQHSA-N 456.549 4.439 50 10 JIGE COc1ccc(C(C)=NNC(=O)c2cccc(S(=O)(=O)Nc3cccc(Cl)c3)c2)c(O)c1 254341414 QZWMHFTWTDSKJI-UHFFFAOYSA-N 473.938 4.009 50 10 JIGE Cc1noc(NS(=O)(=O)c2ccc(NC(=O)/C(C#N)=C/c3ccc(Cl)cc3)cc2)c1C 299828509 JQXATZBDBRDFTM-LFIBNONCSA-N 456.911 4.291 50 10 JIGE CCN(CCOCCBr)C(=O)c1cc(Br)ccc1Br 302295098 ATGZBQDUGCQOQO-UHFFFAOYSA-N 457.988 4.085 50 10 JIGE CC(C)[C@@H](CBr)CNS(=O)(=O)c1cc(Br)ccc1Br 394168984 DCTHMHLSVWSQQP-VIFPVBQESA-N 478.044 4.157 50 10 JIGE Cn1ncc(Br)c1[C@@H](Br)c1cc2c(cc1Br)OCCO2 693083005 FDJIGZIFDKHTJT-LBPRGKRZSA-N 466.955 4.201 50 10 JIGE O=S(=O)(NCC1(N(Cc2ccccc2)Cc2ccccc2)COC1)c1ccc(CCl)cc1 705859702 BZGQVGNBGILAMI-UHFFFAOYSA-N 471.022 4.175 50 10 JIGE C[C@@H]1CN(Cc2ccccc2)C[C@@H]1CCNS(=O)(=O)c1ccc(CBr)cc1 723743920 OLKHZCZJIHLVGW-XLIONFOSSA-N 451.430 4.018 50 10 JIGE Cc1cc(Cl)ccc1OCCCC(=O)NNC(=O)C1CCN(c2nc3ccccc3s2)CC1 727363957 CIFUSFLHOCBTDD-UHFFFAOYSA-N 487.025 4.481 50 10 JIGE CC(=NNC(=O)[C@@H](C)Nc1nc2ccccc2s1)c1ccc(O)c(CN2CCCCC2)c1 730583868 PYJKKMNFFZHVDS-QGZVFWFLSA-N 451.596 4.329 50 10 JIGE CC(=O)N[C@@H](C(=O)N1CC[C@@H](O[Si](C)(C)C(C)(C)C)C1)c1cccc(Br)c1 1301523664 FZFMPXWTSWYCTC-QZTJIDSGSA-N 455.469 4.249 50 10 JIGE C=CCOc1ccc(CNC(=O)NNC(=O)Nc2ccc(Br)cc2Cl)cc1 1312672052 LVMVHRCYFMKHOW-UHFFFAOYSA-N 453.724 4.203 50 10 JIGE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NNc1ccc(S(=O)(=O)C(F)F)cc1 1596691921 AXLJRKRJNTXXHC-UHFFFAOYSA-N 450.385 4.023 50 10 JIGE CCOC(=O)c1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(O)cc2)CCC3)cc1 1772745395 XUWCUFZPVBNELQ-UHFFFAOYSA-N 475.501 4.193 50 10 JIGE CCOc1cc(C=NNC(=O)COc2cc(Cl)ccc2Cl)cc(Br)c1O 1772754024 NRTNMSDNRPWSPZ-UHFFFAOYSA-N 462.127 4.389 50 10 JIGE CN(C)[C@H](C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1)c1ccccc1 1866705352 VFYROTVXRHBPJO-ZEQRLZLVSA-N 476.577 4.368 50 10 JIGE CSCC[C@H](NC(=O)c1cc(-c2ccc(F)c(F)c2)[nH]n1)C(=O)Nc1ccc(SC#N)cc1 1867094750 GPHZFVAHZXAOOZ-SFHVURJKSA-N 487.557 4.418 50 10 JIGE Cc1c(C#C[Si](C)(C)C)cc(CNC(=O)OCC2c3ccccc3-c3ccccc32)c(C)c1B(O)O 1887521172 WVJYIGYDXYNDSL-UHFFFAOYSA-N 497.476 4.251 50 10 JIGE O=S(=O)(NCC[C@@H]1CCC[C@@H]1Br)c1cc(Cl)c(Br)s1 1913796023 IYMHNHLVTOIWEB-YUMQZZPRSA-N 451.633 4.396 50 10 JIGE FC(F)(F)c1cnc(N2CC[C@@](F)(CBr)C2)c(I)c1 1917137057 ZOHZKPACIVDRMS-SNVBAGLBSA-N 453.015 4.018 50 10 JIGE C[C@@H]1C[C@@H]1N(CCBr)C(=O)c1cc(Br)ccc1I 2048203388 AZVAGQINFNWELT-PELKAZGASA-N 486.973 4.299 50 10 JIGE CC[C@@H](C)[C@@H](CI)NS(=O)(=O)c1cc(Cl)c(Br)s1 2081252845 BGVFHLFXHQBEJF-HTRCEHHLSA-N 486.622 4.292 50 10 JIGE C[C@@H]1CN(C(=O)c2ccc(Br)cc2I)C[C@H]1CBr 2086139328 NAMRPAOVHNIKJB-RKDXNWHRSA-N 486.973 4.157 50 10 JIGE O=C(N[C@@H]1C[C@H](CCl)[C@@H]2C[C@@H]12)c1ccc(I)c(Br)c1 2110544795 ZPVXUNBQXUXRCD-BSTOTGJRSA-N 454.533 4.047 50 10 JIGE CN(C)C[C@@H]1C[C@@H](Br)CN1Cc1ccc(Br)cc1Br 2122394527 XFXQAIZFYUBSNF-OLZOCXBDSA-N 455.032 4.111 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CC2(CC(CBr)C2)C1 2129954013 CKVFVASZPGUHMB-UHFFFAOYSA-N 498.984 4.301 50 10 JIGE CC[C@H](C)[C@H](CBr)NS(=O)(=O)c1cc(Br)ccc1Br 2136497927 XMVSDWRYYNTRPM-KWQFWETISA-N 478.044 4.300 50 10 JIGE O=C(N[C@@H]1C[C@H]2C[C@H]1C[C@@H]2Br)c1ccc(Br)cc1I 2142284552 DTFHBZDZORFUSQ-AOOGTALZSA-N 498.984 4.346 50 10 JIGE O=C(NN=Cc1cccc(Br)c1)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2295464512 XQDXYRKKYYWTFF-UHFFFAOYSA-N 492.329 4.099 50 10 JIGE COc1cc(C=C(C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)ccc1OCCC(C)C 2296545377 LWSDWXVXVPWESV-UHFFFAOYSA-N 474.561 4.464 50 10 JIGE C=CCNC(=O)C(C#N)=C1S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccc(OCC)cc1 2314593142 ICSLULFMQOADTM-NRFANRHFSA-N 467.978 4.467 50 10 JIGE O=S(=O)(Cc1cccc(Br)c1)N[C@H](CCBr)COCc1ccccc1 2320356457 MRBXIHMKVQSDQM-GOSISDBHSA-N 491.245 4.239 50 10 JIGE CCN(CC)C(=O)COc1ccc(C=NNC(=O)c2ccc(-c3ccc(C)cc3)nc2C)cc1 2321239099 DZGREJSADCPDDZ-UHFFFAOYSA-N 458.562 4.377 50 10 JIGE CN(C=C(C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccc(O)cc1 2324607122 GNZWOUZPZXIZJT-UHFFFAOYSA-N 452.558 4.170 50 10 JIGE CC[C@@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)COc2cc(C)ccc2C(C)C)c1 10671802 SFQGBCCZPFFEAV-QGZVFWFLSA-N 457.596 4.010 50 10 JIGE CC(C)c1ccccc1OCC(=O)NNC(=S)NC(=O)C(c1ccccc1)c1ccccc1 13980098 RENGYQHOVBOLEF-UHFFFAOYSA-N 461.587 4.043 50 10 JIGE COc1cccc2cc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)C(=O)N3CCOCC3)oc12 33515854 ZUFNMKUVPBHOCO-XMHGGMMESA-N 454.486 4.060 50 10 JIGE O=C(NNc1ncnc(Nc2cc(F)ccc2F)c1[N+](=O)[O-])c1ccc(Cl)cc1Cl 40658816 MBDYRXUBYLHHIN-UHFFFAOYSA-N 455.208 4.470 50 10 JIGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(C)n(-c3ccc(OC(C)=O)cc3)c2C)cc1 58893230 ZRNGEAIMXXIUOJ-VUMGZPTDSA-N 477.561 4.382 50 10 JIGE O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)N/N=C/c1ccc(Br)cc1 58989638 CUQOKVDHOYMXFQ-DHRITJCHSA-N 493.390 4.334 50 10 JIGE Cn1ncc([C@H](Br)c2cc(Br)cc3c2OCC3)c1Br 381869912 FZPGFUVJPICAGO-LLVKDONJSA-N 450.956 4.364 50 10 JIGE Cn1cc([C@@H](Br)c2cc(Br)ccc2I)cn1 687687700 HTFYOGUITJKEAZ-LLVKDONJSA-N 455.919 4.272 50 10 JIGE C[C@H]1CC[C@@H](CBr)CN1S(=O)(=O)c1cc(Cl)c(Br)s1 688681933 ZFLMOMBYPIGWKW-YUMQZZPRSA-N 451.633 4.348 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1CCSC[C@@H]1CCBr 689278022 JPFKGSCBGOHPGN-JTQLQIEISA-N 474.589 4.287 50 10 JIGE O=C(COc1ccc(C=NNC(=O)c2ccc(Br)cc2)cc1)Nc1ccccc1 1083964333 TYWIHDWPVDYWMY-UHFFFAOYSA-N 452.308 4.231 50 10 JIGE Cn1c([C@H](NC(=O)NNC(=O)c2ccc(Br)cc2)c2ccccc2)nc2ccccc21 1322306911 CFFAVVRWTUYQLJ-HXUWFJFHSA-N 478.350 4.069 50 10 JIGE C=CCc1cc(CNC(=O)NNc2cc(OC)ccc2Br)cc(OC)c1OC 1468362709 ZZIYGLRRVCBGEA-UHFFFAOYSA-N 450.333 4.030 50 10 JIGE C#CCn1ccc(CN(CC)C(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(OCC)cc3)c2C)n1 1520240504 WYLMYCYUKQMPHX-HAVVHWLPSA-N 455.562 4.278 50 10 JIGE CC(=O)N(c1ccc(NC(=O)NNC(=O)c2cc(C)n(-c3ccccc3)c2C)cc1)[C@H]1C[C@H]1C 1670263808 MRVYCHLQVDPESS-GYCJOSAFSA-N 459.550 4.322 50 10 JIGE CCCOc1ccc(/C=N/NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1OCC 1860773807 FXEWCLFVWVMVFV-UQUMYOEYSA-N 496.633 4.482 50 10 JIGE COCCOc1ccc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2C(=O)O)cc1 1866213777 CGGUTBOIAICUAZ-RVDMUPIBSA-N 459.296 4.027 50 10 JIGE CN(Cc1cnn(Cc2ccccc2)c1)S(=O)(=O)c1ccc(Br)c(CCl)c1 1915033375 QONLLOMXGINKOQ-UHFFFAOYSA-N 468.804 4.253 50 10 JIGE CS(=O)(=O)c1csc([C@@H](Br)c2ccc(I)cc2)c1 2032178737 OEPHNGYWCREZBG-LBPRGKRZSA-N 457.152 4.241 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@H]2C[C@@H](Br)[C@H]1C2 2057056703 JUWWKLOBRDQMEJ-HNBZJPLGSA-N 484.957 4.052 50 10 JIGE CC1(C)[C@H](CBr)OCCN1C(=O)c1cc(Br)cc(Br)c1 2159638347 BETNYDOMDKJZSR-LBPRGKRZSA-N 469.999 4.226 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1[C@H]2CC[C@H]1[C@H](F)[C@H](Cl)C2 2190680631 XIXNFURUFDZQJX-YPWHJJHSSA-N 472.523 4.376 50 10 JIGE CN(CC1CC(Br)C1)C(=O)[C@H]1C[C@H](C(F)(F)F)CCN1C(=O)OC(C)(C)C 2196908381 XIFWBJLOQHJJMO-FKZOYECMSA-N 457.331 4.196 50 10 JIGE O=C(NC[C@]12CCC[C@@]1(CBr)C2)c1cc(I)ccc1F 2208035671 GSOBMEIBTXZUPN-LSDHHAIUSA-N 452.105 4.115 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@H]([S@@](C)(=O)=NCCCCCI)C1 2211183066 BQLVIQOCUSHAPR-LFVRLGFBSA-N 458.406 4.089 50 10 JIGE COCc1cc(Br)c([C@H](Br)c2nn(C)nc2Br)s1 2219811317 OKLXWDQNXOSAQE-SSDOTTSWSA-N 459.989 4.032 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@H](Br)CCC12CC2 2235748811 CYEZAKRPRLMJBJ-SNVBAGLBSA-N 488.039 4.292 50 10 JIGE COc1ccc([C@H](Br)c2cn(C)c(Br)n2)cc1I 2257367348 ASQLNKFHLWCJHG-NSHDSACASA-N 485.945 4.280 50 10 JIGE CC1(C)C[C@H](CBr)CN(C(=O)c2c(F)cccc2I)C1 2282795234 RNJCSOOBVHGAPI-SNVBAGLBSA-N 454.121 4.314 50 10 JIGE Cc1cc(=O)oc2cc(OCC(=O)NN=Cc3ccc(OCc4ccccc4F)cc3)ccc12 2328804004 AEQYTDUHYNHVMI-UHFFFAOYSA-N 460.461 4.349 50 10 JIGE Clc1ccc(CN2CC3(CC[C@H](CBr)O3)C2)cc1I 2337222490 AEHBOWWLVABMRU-LLVKDONJSA-N 456.549 4.073 50 10 JIGE Clc1ccc(CN2CC[C@H](OCCCBr)C2)c(I)c1 2341024241 FLCHBEQGQWUOLB-ZDUSSCGKSA-N 458.565 4.321 50 10 JIGE COc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OCCN1CCOCC1 35004947 JNFQDGSSHHTTBX-ATVHPVEESA-N 476.360 4.259 50 10 JIGE C[C@@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc([N+](=O)[O-])c1 38653929 PQQSSFXLIMDTCR-FATZIPQQSA-N 475.432 4.325 50 10 JIGE COc1cccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(C)cc3)nc3ccccn3c2=O)c1 39858547 WCMHGISCNRHGPM-JXAWBTAJSA-N 452.470 4.350 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CCC(Br)CC1 232462832 JVFJKFCNXNWDIH-UHFFFAOYSA-N 472.946 4.053 50 10 JIGE C[C@H](CBr)[C@H](C)NC(=O)c1cc(I)ccc1Br 235422694 SBFLAUXVUNJGCX-SFYZADRCSA-N 474.962 4.203 50 10 JIGE O=C(NN=Cc1sc(N2CCCCC2)nc1-c1cccs1)[C@H]1COc2ccccc2O1 254825869 RNZUBFLHCQVSNR-QGZVFWFLSA-N 454.577 4.152 50 10 JIGE COc1cccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)c1O 394535338 NNAYSEINPDGMFJ-NVXWUHKLSA-N 467.303 4.188 50 10 JIGE CCN(C[C@@H](C)Br)S(=O)(=O)c1cc(Br)c(C)cc1Br 691369676 DIBYBPGOYXCVOT-SECBINFHSA-N 478.044 4.314 50 10 JIGE O=C(N[C@@H]1CCC[C@H]1CBr)c1ccc(I)c(Br)c1 721613960 NIIFRKYUVYGFHI-JOYOIKCWSA-N 486.973 4.347 50 10 JIGE CCC(CBr)(CBr)NC(=O)c1cccc(F)c1I 721651101 PMGXBUSDEVEFHX-UHFFFAOYSA-N 492.952 4.099 50 10 JIGE O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)NN=Cc1ccccc1Cl 725393781 XIJHZWPKDJRNOV-UHFFFAOYSA-N 462.358 4.339 50 10 JIGE CC(C)[C@H](NC(=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1)c1nc(C2CC2)no1 727943351 JKZKGDQZMHROQG-FQEVSTJZSA-N 467.501 4.006 50 10 JIGE C[C@@H](Sc1ccc(Cl)cc1)C(=O)NN=Cc1ccc(OCC(=O)N2CCCCC2)cc1 1084067087 XZNCWAMOXQZYBD-QGZVFWFLSA-N 459.999 4.362 50 10 JIGE COc1cccc(C=NNC(=O)CSc2nnc(CCc3ccccc3)n2-c2ccccc2)c1O 1084543475 VNMGLTHXERMKSA-UHFFFAOYSA-N 487.585 4.009 50 10 JIGE C=C(C)CN(Cc1ccc(CO)o1)C(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1 1297705436 FWWSLMAWOYCZSX-FYJGNVAPSA-N 455.518 4.061 50 10 JIGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@H](c2ccc(F)c([N+](=O)[O-])c2)C1 1614697155 ZRCCILOZNVZVTL-NEPJUHHUSA-N 450.248 4.119 50 10 JIGE O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)N/N=C\c1ccc(C(F)(F)F)cc1 1860773106 QVVPAYLUJURNKA-BCHBDCPOSA-N 456.449 4.294 50 10 JIGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@H](c2ccc(O)cc2)C(C#N)=C(N)O3)cc1 1865684730 WTIOERZWJMFHSD-HSZRJFAPSA-N 466.497 4.480 50 10 JIGE COc1cccc(-c2ccc(C(=O)NNC(=O)COc3ccc(Cl)cc3Cl)c(C)n2)c1 1865758801 RWFAEAWMIMOZNC-UHFFFAOYSA-N 460.317 4.212 50 10 JIGE COCCN1[C@@H](C)CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3cccnc3)n2)C[C@@H]1C 1868565089 HJYQQJYMPFXNKX-OALUTQOASA-N 475.622 4.401 50 10 JIGE COc1ccc(C[C@@H](Br)CN2C(=O)c3ccccc3C2=O)c(OC)c1Br 1994838364 VZGNAYNHURTEMB-GFCCVEGCSA-N 483.156 4.069 50 10 JIGE Cc1nc(I)c(I)n1-c1nc(CCl)ccc1Cl 2010862741 XWGHTNHYOKZEGQ-UHFFFAOYSA-N 493.901 4.177 50 10 JIGE COc1cccc([C@H](CI)OCCOCCOCc2ccccc2)c1 2056733745 KYRXVFWQGKROHC-FQEVSTJZSA-N 456.320 4.421 50 10 JIGE CC1(C)CC[C@@H](Br)CN1S(=O)(=O)c1cc(Cl)c(Br)s1 2099884448 GOXYHCDQLTWLTE-SSDOTTSWSA-N 451.633 4.491 50 10 JIGE C[C@H](NS(=O)(=O)c1cc(Cl)c(Br)s1)[C@H]1CCC[C@@H]1Br 2111556515 ZKAQIOAXYNNKIS-RNJXMRFFSA-N 451.633 4.394 50 10 JIGE CSCC[C@@H](Br)CCNC(=O)c1cc(I)ccc1F 2113351738 SKRUCVJBZMBZFY-VIFPVBQESA-N 460.150 4.067 50 10 JIGE C#CC[C@](C)(CBr)CNC(=O)c1c(Br)cccc1Br 2140718539 OAUMVJLPDKNPCR-CQSZACIVSA-N 451.984 4.366 50 10 JIGE C[C@@H](Br)C[C@@H]1CCCCCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2145937923 KIWBDHUJADWTSI-MSOLQXFVSA-N 499.471 4.201 50 10 JIGE COC1(CBr)CCN(C(=O)c2c(Br)cccc2Br)CC1 2150495304 WKWKQEQPBRHAFT-UHFFFAOYSA-N 469.999 4.228 50 10 JIGE CN(C[C@H](Br)C1CCCCC1)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2167655475 HKAKASVKWDKUBA-FQEVSTJZSA-N 499.471 4.058 50 10 JIGE O=C(c1cc(I)ccc1F)N1CC2(CC[C@@H]1CBr)CC2 2169662029 BUFYXIQGJUYCBL-LLVKDONJSA-N 452.105 4.210 50 10 JIGE C[C@H]1CC[C@@H](N(C)S(=O)(=O)c2cc(CBr)sc2Br)CS1 2179785507 NKDNLABUXLAWAN-DTWKUNHWSA-N 463.282 4.310 50 10 JIGE CN(C[C@@H]1C[C@H]1Br)S(=O)(=O)c1cc(CBr)c(Cl)cc1Cl 2196937467 WKSKLZHHZFOCGZ-DTWKUNHWSA-N 466.022 4.292 50 10 JIGE O=C(NC[C@@]12CCC[C@@]1(CBr)C2)c1cccc(F)c1I 2208047394 YONDNRFHJOTIFD-GJZGRUSLSA-N 452.105 4.115 50 10 JIGE Cn1nc(Br)c(COc2c(Br)cc(Cl)cc2CBr)n1 2226991426 QVFYEPIWYJQEPU-UHFFFAOYSA-N 474.378 4.467 50 10 JIGE COC(=O)c1ccc(COc2ccc(C=C(C#N)C(=O)Nc3ccc(OC)cc3)cc2OC)o1 2297382370 JZEOJGHPXWBSBD-UHFFFAOYSA-N 462.458 4.208 50 10 JIGE C[C@@H]1Cc2cc(C=C(C#N)C(=O)Nc3sc4c(c3C(=O)NC[C@@H]3CCCO3)CCCC4)ccc2O1 2314617633 LQKWOKJPDFUYIM-UZLBHIALSA-N 491.613 4.405 50 10 JIGE CCOc1cc(C=NNC(=O)c2cccn(C(C)C)c2=O)ccc1OCc1ccccc1F 2323628567 BWGQWOJTNVIBJT-UHFFFAOYSA-N 451.498 4.310 50 10 JIGE Cc1ccc(CCNC=C(C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 2324609845 UTQWXQXLLWUJIK-UHFFFAOYSA-N 464.613 4.468 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1CCSC[C@H]1CCBr 2340063059 GYYMCDQCUIXDND-SNVBAGLBSA-N 474.589 4.287 50 10 JIGE COC1(CBr)CCN(Cc2ccc(Cl)cc2I)CC1 2341041524 LDHSCKFDWUZEQM-UHFFFAOYSA-N 458.565 4.321 50 10 JIGE COc1cc(Cl)c(CBr)c(N2C[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)c1 2365805856 PLFOBZOSDNPYMX-RTWAWAEBSA-N 451.792 4.333 50 10 JIGE CCOC(=O)/C(C#N)=C/c1ccc(C(c2ccccc2)c2ccc(/C=C(\C#N)C(=O)OCC)[nH]2)[nH]1 15922472 WWAQPSQNFWYZLR-PXXPDPNMSA-N 468.513 4.463 50 10 JIGE CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccccc3[N+](=O)[O-])ccc21 38650491 HWBGBSJAPAUOTJ-HSZRJFAPSA-N 457.442 4.431 50 10 JIGE O=C(N/N=C1\C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21)c1cccc([N+](=O)[O-])c1 59151652 OTDFLKZAJTWLQZ-QQTULTPQSA-N 497.280 4.177 50 10 JIGE O=C(N/N=C1\C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc21)c1cc2ccccc2cc1O 59160463 LGCTVBPVFULTIQ-PNHLSOANSA-N 466.453 4.135 50 10 JIGE COc1ccc(N/C=C(/C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 216487679 ARQIVDFOBXZVEA-FLFQWRMESA-N 452.558 4.448 50 10 JIGE Cc1ccc(-n2c(SCC(=O)NN=Cc3ccccn3)nc3sc4c(c3c2=O)CCCC4)cc1 254399522 VIBHDOMTGWLIAK-UHFFFAOYSA-N 489.626 4.272 50 10 JIGE CCNC(=O)Nc1cccc(NC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)c1 742417007 HAJPPAPYSNGABJ-XMHGGMMESA-N 453.506 4.151 50 10 JIGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(-c3cccc(C(=O)OC)c3C)o2)cc1 1083930293 ODUPGCXEJGGXAO-QHCPKHFHSA-N 464.518 4.404 50 10 JIGE COc1ccc(C=NNC(=O)COc2ccc(Br)cc2C(C)(C)C)cc1[N+](=O)[O-] 1772754294 SDAAXSZCSQSMAS-UHFFFAOYSA-N 464.316 4.193 50 10 JIGE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OC(=O)c2ccccc2)cc1 1865704640 AQBIDMLPOLNEMC-KRWDZBQOSA-N 454.408 4.359 50 10 JIGE CCc1cccc(CC)c1N1C[C@@H](C(=O)NNC(=O)c2ccc(-c3ccc(F)cc3)nc2C)CC1=O 1865758081 IKTHQCQQQGPJJU-NRFANRHFSA-N 488.563 4.135 50 10 JIGE COc1cccc(-c2nc(CC(=O)NC(C)(C)C(=O)Nc3ccc(SC#N)cc3)c(C)o2)c1 1866673366 HASVEAPVKYOPTB-UHFFFAOYSA-N 464.547 4.308 50 10 JIGE O=C(COc1ccc(C(=O)NC2CCCCC2)cc1)N/N=C/c1c[nH]c2cc(Cl)ccc12 1873496959 GLKNXULDYPCFBL-MZJWZYIUSA-N 452.942 4.413 50 10 JIGE O=C1[C@H](Br)CCN1c1cc(Br)c(Br)c(Br)c1 1938593332 CQUMOEIPFMMKJH-ZCFIWIBFSA-N 476.788 4.474 50 10 JIGE CN(CC(C)(C)CBr)c1ncc(I)cc1Br 1988536897 UMVDLMYVZJQTDB-UHFFFAOYSA-N 461.967 4.306 50 10 JIGE C[C@H](CCBr)CNC(=O)c1ccc(Br)cc1I 2026215549 APASKRFLRMJTED-MRVPVSSYSA-N 474.962 4.205 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1[C@H]2CC[C@@H]1C[C@@H](Br)C2 2098698932 LGQXJPLJOATTNS-RTCCRHLQSA-N 454.533 4.475 50 10 JIGE Brc1cccc(Br)c1CN1CC2(C1)OCCC[C@H]2Br 2103422820 UVLGUBPONMAXBZ-CYBMUJFWSA-N 454.000 4.340 50 10 JIGE O=C(Cc1ccccc1I)N[C@@H](CBr)c1cccs1 2119048620 VZJPQSQSRADBSX-LBPRGKRZSA-N 450.139 4.148 50 10 JIGE CN(CC1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(CBr)s1 2123244672 ZOWOWVSPXYOOPB-UHFFFAOYSA-N 457.459 4.176 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@@H]2C[C@H](CCl)[C@@H]2C1 2142288420 KIZVVDBVPPCYKD-PTRXPTGYSA-N 454.533 4.001 50 10 JIGE BrCc1cc(Br)cc(Br)c1OC[C@@H]1OC[C@@H]2CCO[C@@H]21 2145933543 IQUQWLRBKUKCID-ULSRQLJBSA-N 470.983 4.289 50 10 JIGE O=S(=O)(c1cc(Cl)c(Br)s1)N1[C@H](CBr)C[C@@H]2CCC[C@@H]21 2164660843 BYQUWCUXYHXSSY-NRPADANISA-N 463.644 4.491 50 10 JIGE C[C@@]1(CBr)COCCN(C(=O)c2ccc(Br)cc2Br)C1 2199824165 AUMLESZRGDKDPY-AWEZNQCLSA-N 469.999 4.085 50 10 JIGE CC1(C)OCCN(C(=O)c2cc(Br)ccc2Br)[C@@H]1CBr 2282891446 ZHVNHUJCPFSHAD-GFCCVEGCSA-N 469.999 4.226 50 10 JIGE Cc1ccnc(C(=O)N[C@@H](CCBr)COCc2ccccc2)c1Br 2303542138 ZKADLYZSCPAXBC-HNNXBMFYSA-N 456.178 4.253 50 10 JIGE COc1cc(C=NNC(=O)CCc2nc3ccccc3[nH]c2=O)ccc1OCc1ccccc1Cl 2321685206 XEZREXMEZMORGG-UHFFFAOYSA-N 490.947 4.247 50 10 JIGE CC1(C)CN(Cc2ccc(Cl)c(I)c2)C[C@@H](CBr)O1 2337222180 XDAIXUNPILIUGN-LLVKDONJSA-N 458.565 4.319 50 10 JIGE O=C(Cc1cccc2ccccc12)NNC(=S)NC(=O)c1cccc(OCCc2ccccc2)c1 10334299 OPEIJUJIMQGAMC-UHFFFAOYSA-N 483.593 4.340 50 10 JIGE C/C(=N/NC(=O)COc1c(C)cc(Br)cc1Br)c1ccccc1O 12483339 ORDOKJPBOFQIEW-JAIQZWGSSA-N 456.134 4.145 50 10 JIGE COc1ccc(/C(C)=N\NC(=O)COc2ccc(Br)cc2Br)c(OC)c1 34953980 LOVDDCPFXHZLIT-NHDPSOOVSA-N 486.160 4.148 50 10 JIGE CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccccc3[N+](=O)[O-])ccc21 38650492 HWBGBSJAPAUOTJ-QHCPKHFHSA-N 457.442 4.431 50 10 JIGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc32)c(OC)c1 38657234 ZYKIANZGFNOSBR-HSZRJFAPSA-N 473.441 4.049 50 10 JIGE COc1ccccc1NC(=O)/C(C#N)=C\c1c(Oc2ccc(C)cc2)nc2ccccn2c1=O 39858546 GWGYVLVGHPECPQ-SDXDJHTJSA-N 452.470 4.350 50 10 JIGE O=C(NNc1ncnc(N(Cc2ccccc2)Cc2ccccc2)c1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 40607328 WMVASJBCBUGDMV-UHFFFAOYSA-N 499.487 4.257 50 10 JIGE COc1ccccc1Oc1ncnc(NNC(=O)COc2ccc(Cl)cc2Cl)c1[N+](=O)[O-] 40659575 OBIAJXXTAVSJCQ-UHFFFAOYSA-N 480.264 4.015 50 10 JIGE Nc1c(NNC(=O)c2ccc(Br)cc2)ncnc1Nc1ccc(Br)cc1 40782262 OAEVDHMOARUJOR-UHFFFAOYSA-N 478.148 4.084 50 10 JIGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(OCC)c(OC)c2)c(OC)c1 40853097 PGGYFMVIEOXHAM-CBLICJDJSA-N 451.475 4.191 50 10 JIGE O=C(N/N=C/c1ccc(O)c(I)c1)c1cc2cc(Br)ccc2o1 59304802 USSKIALXJGKDQS-UFWORHAWSA-N 485.075 4.269 50 10 JIGE O=C(CCl)Nc1ccc2nc(SCC(=O)Nc3ccc(F)c([N+](=O)[O-])c3)sc2c1 59517396 ABZQCOIFCWOPEI-UHFFFAOYSA-N 454.892 4.252 50 10 JIGE CN(Cc1ccc(Br)cc1)S(=O)(=O)c1cc(CCl)oc1Br 91271183 RNPQPMDUKYBBJN-UHFFFAOYSA-N 457.571 4.364 50 10 JIGE CCOC(=O)[C@@H]1C[C@@H](I)[C@H](OCc2cccc(Br)c2)C1 162547795 CGIYDDZDWRDIJU-MRVWCRGKSA-N 453.114 4.111 50 10 JIGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C/c2ccc(OCc3ccccc3)c(OC)c2)C1=O 214301121 BGONBMGJMJKJIC-JCMHNJIXSA-N 460.530 4.293 50 10 JIGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\NCCc1ccc(Cl)cc1 217254398 BEGQICWUSXRXCW-QINSGFPZSA-N 465.722 4.431 50 10 JIGE Cc1cccc(C=NNC(=O)CSc2nnc([C@H](C)Nc3cccc4ccccc34)n2C)n1 254492769 JYPXPMLOQOILRG-KRWDZBQOSA-N 459.579 4.087 50 10 JIGE C[C@@](C=O)(Cc1ccc2c(c1)OCO2)N(NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 379449087 XECPGFSOYAYHCF-MHZLTWQESA-N 490.512 4.396 50 10 JIGE COc1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)c(O)c1 382699307 WPDZPALVLITKMC-YJBOKZPZSA-N 467.303 4.188 50 10 JIGE CN([C@@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(CCl)cc1Br 388331648 KGMUVDKYFHDSNL-GOSISDBHSA-N 471.848 4.473 50 10 JIGE O=C(CCCCCl)Nc1cc(I)cc(I)c1 690346160 MJCQPOMTQFBDAQ-UHFFFAOYSA-N 463.484 4.243 50 10 JIGE O=C(c1scc(Br)c1Br)N(CCBr)CC(F)F 705401309 PGKAFGNJFUMZAQ-UHFFFAOYSA-N 455.944 4.375 50 10 JIGE COc1cccc2c1OCC[C@@H]2NC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1 725743013 CBOKNNMYGVFPGA-SIWPHUPXSA-N 453.502 4.019 50 10 JIGE C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12 727723124 MEOOYMZTSDZNJN-CYBMUJFWSA-N 478.455 4.274 50 10 JIGE Cc1nn(-c2ccccc2)c2sc(C(=O)NNC(=O)NCCc3c[nH]c4cc(F)ccc34)cc12 747985740 HRNKWMUTWFIYRM-UHFFFAOYSA-N 476.537 4.203 50 10 JIGE Cc1cc(C=NNC(=O)c2ccccc2-n2cccc2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 1084047326 CAVVVZMQHGOGNK-UHFFFAOYSA-N 470.485 4.045 50 10 JIGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2nc3c(s2)C[C@H](C(C)(C)C)CC3)cc1 1204145424 WAJQKHWLUFXVDM-GDBMZVCRSA-N 458.584 4.117 50 10 JIGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2ccc([N+](=O)[O-])cc2)CCC3)cc1 1772746607 DTEDGUXQBGVEBE-UHFFFAOYSA-N 460.490 4.456 50 10 JIGE CCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1cc(Br)cc(OC)c1O)C(C#N)=C(N)O2 1865695363 BXODYBAOMKYTAY-HXUWFJFHSA-N 495.377 4.497 50 10 JIGE COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc(Cl)c2)cc1OC 1865710826 JJQGAYSSYZRMAZ-NRFANRHFSA-N 452.898 4.078 50 10 JIGE COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)cc2)cc1OC 1865711168 RIEWHLFIASBFER-NRFANRHFSA-N 452.898 4.078 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)cc2)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1865715021 TULOTPZOJOIWON-OAHLLOKOSA-N 477.786 4.376 50 10 JIGE Cc1cc(C(=O)NCCSSCCNC(=O)OC(C)(C)C)c(Br)s1 2010829188 RWDFPZNZIJRSGK-UHFFFAOYSA-N 455.465 4.455 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@H]2C[C@H]1C[C@H]2Br 2052018819 YCFDIJOJUCLVNK-VFWDIBGWSA-N 484.957 4.052 50 10 JIGE CCOC(=O)Cc1c(I)cc(CBr)cc1C(F)(F)F 2055266702 YANIGJUQFRMYEZ-UHFFFAOYSA-N 451.020 4.311 50 10 JIGE COc1ccc(Cn2nc(CCl)c(I)c2C(F)(F)F)c(OC)c1 2079212666 YBRZYNOEYCHHSE-UHFFFAOYSA-N 460.621 4.311 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@@H](Cl)[C@@H](C2CC2)C1 2090672852 BUFOYVDLLJOPCC-DGCLKSJQSA-N 454.533 4.143 50 10 JIGE O=C(OCc1ccccc1)N1C[C@H]2CC[C@H]1[C@H](NS(=O)(=O)c1ccc(CBr)cc1)C2 2162591061 HPVNYLYFPVKSEU-TYPHKJRUSA-N 493.423 4.050 50 10 JIGE O=C(c1cc(I)ccc1F)N1C[C@H]2CCC[C@]2(CBr)C1 2169662678 KXZUJPSRDDWOMD-BMIGLBTASA-N 452.105 4.068 50 10 JIGE CN([C@@H]1CN(Cc2ccccc2)C(C)(C)C1)S(=O)(=O)c1cccc(CBr)c1 2179820919 DFBHNSNMNFLVGS-IBGZPJMESA-N 451.430 4.255 50 10 JIGE O=S(=O)(N[C@@H]1C[C@H]2CC[C@H]1[C@H](Br)C2)c1cc(Cl)c(Br)s1 2204565386 RDGZMXGAVCTJDM-QHOPCYEYSA-N 463.644 4.394 50 10 JIGE O=C(N[C@@H](CBr)C[C@@H]1CCCO1)c1ccc(Cl)c(I)c1 2283661487 GVMMVBUXJLNPHH-MNOVXSKESA-N 472.548 4.007 50 10 JIGE COc1ccc(-n2c(C)cc(C=C(C#N)C(=O)N[C@@H](C)c3ccc(-n4cncn4)cc3)c2C)cc1 2297413572 VAAUGRVFJHFNCA-IBGZPJMESA-N 466.545 4.468 50 10 JIGE Cc1cnc(C(=O)N[C@@H](CCBr)COCc2ccccc2)c(Br)c1 2303547669 YHAVSCZACKJAQK-HNNXBMFYSA-N 456.178 4.253 50 10 JIGE Cn1nc(Br)c(Br)c1[C@H](Br)c1ncn2ccsc12 2316730817 LFXWQGJFUPLFDG-RXMQYKEDSA-N 454.973 4.139 50 10 JIGE CCOC(=O)c1c(NC(=O)c2ccc(O[C@@H](C)C(=O)NN=Cc3ccc(C)[nH]3)cc2)sc(C)c1C 2321698146 QBPNRZQLZAFXHB-INIZCTEOSA-N 496.589 4.348 50 10 JIGE COc1ccccc1OCC(=O)NN=Cc1ccc(OC)c(OCc2ccc(Cl)cc2)c1 2321706263 HLTIQSPNTRUTHV-UHFFFAOYSA-N 454.910 4.465 50 10 JIGE CN(C)c1ccc([C@H](NC(=O)C(C#N)=Cc2cccc(Br)c2)c2nccn2C)cc1 2329694515 CVUNQYZPTVXXAF-NRFANRHFSA-N 464.367 4.061 50 10 JIGE O=C(N[C@H]1C[C@@H]2C[C@H]1C[C@H]2Br)c1cc(Br)ccc1I 2330904803 XRLLHQOWKWYAOJ-RKXYQDBHSA-N 498.984 4.346 50 10 JIGE COc1ccc(-c2csc(C(C#N)=C(O)[C@@H](C)N3C(=O)c4ccccc4C3=O)n2)c(OC)c1OC 2331412661 SUOAIDLTKRZXDV-CYBMUJFWSA-N 491.525 4.313 50 10 JIGE O=C(N[C@@H]1C[C@@H]2C[C@H]1C[C@H]2Cl)c1ccc(Br)cc1I 2333350527 ZANXYKHVPDGFGU-HTLPYRINSA-N 454.533 4.189 50 10 JIGE O=C(N[C@H]1C[C@H](CBr)C12CCC2)c1ccc(F)cc1I 2379718926 KLHGQYRGRBDOAG-RNCFNFMXSA-N 452.105 4.114 50 10 JIGE CC(C)c1ccc(OCC(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 12403482 QDBAHMDHCKRMSA-UHFFFAOYSA-N 477.399 4.475 50 10 JIGE O=C(COc1ccc(Br)cc1Br)N/N=C/c1c[nH]c2ccccc12 12583858 PFOFSHOMATYOOL-ZVBGSRNCSA-N 451.118 4.222 50 10 JIGE CC(C)(C)C(=O)NNC(=O)CSc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1 20829241 RCSWJRYZSKFLPQ-UHFFFAOYSA-N 488.617 4.318 50 10 JIGE CCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)CCc2ccc(OCC)c(OC)c2)c(OC)c1 41000148 LHXJGDSLERVEIO-XSFVSMFZSA-N 466.534 4.074 50 10 JIGE CCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)NC(C)C)cc2OC)cc1OC 206504148 YTGNYCBEJVHSIS-RDVIPMJXSA-N 464.518 4.153 50 10 JIGE CCCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C/c2ccc(OC)c(OC)c2)c(OC)c1 207087690 AYHDBHSNPVNFND-BOIKWEOWSA-N 464.518 4.154 50 10 JIGE Cc1ccc2occ(C=NNC(=O)COc3ccc(Br)cc3-c3ccno3)c(=O)c2c1 252598449 DAVSERBSXXLMDX-UHFFFAOYSA-N 482.290 4.048 50 10 JIGE COc1ccc(N2CCC(NC(=O)NNC(=O)c3ccccc3OCc3ccc(F)cc3)CC2)cc1 726715718 YLACXEWCDWJKHH-UHFFFAOYSA-N 492.551 4.026 50 10 JIGE CC(C)NC(=O)NNC(=O)c1ccccc1SCC(=O)Nc1cc(Cl)cc(Cl)c1 745146260 FKISXCMRYAZSFM-UHFFFAOYSA-N 455.367 4.077 50 10 JIGE Cc1ccc(-n2c(C)cc(C=NNC(=O)C(=O)Nc3ccc(Br)cc3)c2C)cc1 1084461355 MEWWYUFTBUPWLD-UHFFFAOYSA-N 453.340 4.254 50 10 JIGE COc1cc(C=NNC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1ccccc1 1084542549 KFCADVGGBHHBFY-UHFFFAOYSA-N 471.435 4.382 50 10 JIGE O=C(COc1ccccc1Cl)NN=Cc1ccc(C=NNC(=O)COc2ccccc2Cl)cc1 1084596250 ATGWVIZEZNFXFG-UHFFFAOYSA-N 499.354 4.052 50 10 JIGE CC(=O)c1ccc(CC(=O)NNc2nc3ccccc3c(=O)n2-c2ccc(C(C)C)cc2)cc1 1136796068 UQEQOACRWBESPS-UHFFFAOYSA-N 454.530 4.398 50 10 JIGE CC(=O)N[C@H](C(=O)NNc1nc2ccc(Cl)cc2s1)c1cccc(Br)c1 1630458544 HHZQUNHTNQQKJQ-HNNXBMFYSA-N 453.749 4.033 50 10 JIGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@@H](c2ccc(O)c(O)c2)C(C#N)=C(N)O3)cc1 1865680696 SJJJBRZVZXNGPV-QHCPKHFHSA-N 466.497 4.486 50 10 JIGE CCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865709876 JBEYLVVEEGZQGS-DEOSSOPVSA-N 495.495 4.485 50 10 JIGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1cccc(OC)c1)C(C#N)=C(N)O2 1865712068 OXSCTIJGHWLIDD-IBGZPJMESA-N 451.324 4.424 50 10 JIGE Cc1ccc(-c2ccc(C(=O)NNC(=O)[C@H]3CCCN(C(=O)OC(C)(C)C)C3)c(C)n2)cc1C 1865756261 OQHNDELNUXVEAS-FQEVSTJZSA-N 466.582 4.082 50 10 JIGE CC[C@@](C)(NC(=O)CCCc1ccc2c(c1)OCCO2)C(=O)Nc1ccc(SC#N)cc1 1866789338 LNAFPLZQLKADCT-XMMPIXPASA-N 453.564 4.277 50 10 JIGE N#CSc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)CCc2ncc3ccccn23)cc1 1866897680 JQBVCQMSRHOHQE-QHCPKHFHSA-N 469.570 4.206 50 10 JIGE O=C(N[C@@H](CCBr)C(F)F)c1cc(Br)ccc1I 1918561892 XRLUVCVNOOPFPS-VIFPVBQESA-N 496.915 4.202 50 10 JIGE BrCC1CC2(CCN2c2ncc(I)cc2Br)C1 2015765330 HYJBRMHVVHNJFC-UHFFFAOYSA-N 471.962 4.203 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CC(F)(F)C[C@H]1CCl 2102794170 GJNABTBYYZUWNG-QMMMGPOBSA-N 464.475 4.142 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CCC2(CC(Br)C2)C1 2117431563 DQPPOSYSGXPFKC-UHFFFAOYSA-N 498.984 4.443 50 10 JIGE C[C@H](Br)CN1CCN(Cc2cc(Br)ccc2Br)CC1 2118520175 RHAKWUDKJRCODG-NSHDSACASA-N 455.032 4.113 50 10 JIGE CC[C@@H]1CN(S(=O)(=O)c2ccc(F)c(CBr)c2)CCN1Cc1ccccc1 2179786186 WWWAHMGLHHSERQ-GOSISDBHSA-N 455.393 4.006 50 10 JIGE CC1(C)CO[C@@H](CO[C@@H](CI)c2cccc(Br)c2)CO1 2179852593 XHQLJGFOBUYTTN-KBPBESRZSA-N 455.130 4.136 50 10 JIGE Cc1nn(CCBr)c(C)c1S(=O)(=O)N(CCC(F)(F)F)Cc1ccccc1 2179859338 CAFYLJRXBUIKQB-UHFFFAOYSA-N 468.339 4.038 50 10 JIGE O=S(=O)(Cc1ncsc1Br)N(Cc1ccccc1)[C@H](CBr)C1CC1 2213759933 XBXPZBDMWQLYMS-OAHLLOKOSA-N 494.274 4.411 50 10 JIGE CN([C@@H](CBr)CC1CC1)S(=O)(=O)c1cc(Cl)c(Br)s1 2226153269 QSCXEGUWQYOWPN-MRVPVSSYSA-N 451.633 4.348 50 10 JIGE CN(C[C@@H]1C[C@H]1Br)C(=O)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229135688 XNNJRESWIYIKTJ-NUEKZKHPSA-N 490.236 4.127 50 10 JIGE O=C(c1cc(Br)sc1Br)N1C[C@H]2OCCC[C@]2(CBr)C1 2238793893 HYKRTXLFZRJPHH-RNCFNFMXSA-N 488.039 4.289 50 10 JIGE COc1cc(OC)c([C@@H](Br)c2nn(C)cc2Br)cc1Br 2295437569 OMPLSTJZXAWGPS-GFCCVEGCSA-N 468.971 4.447 50 10 JIGE CCOc1cc(Br)c(C=C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)cc1OC 2295669894 HEQOSGWVROPANW-UHFFFAOYSA-N 459.296 4.173 50 10 JIGE O=C(N[C@H]1C[C@@H](CCl)[C@@H]2C[C@H]12)c1ccc(I)c(Br)c1 2329874152 ZPVXUNBQXUXRCD-YVNDNENWSA-N 454.533 4.047 50 10 JIGE CC1(C)CN(Cc2ccc(Cl)c(I)c2)C[C@H](CBr)O1 2337222181 XDAIXUNPILIUGN-NSHDSACASA-N 458.565 4.319 50 10 JIGE C[C@H](Br)CCc1cn(Cc2ccc(I)c(Br)c2)nn1 2349921017 OUSUQPOKRQRHJT-VIFPVBQESA-N 498.988 4.410 50 10 JIGE FC(F)(CI)C(F)(F)CN=c1[nH]c2cc(Br)ccc2o1 2361684872 SQEPROTXFVXPCI-UHFFFAOYSA-N 466.998 4.130 50 10 JIGE O=C(c1ccccc1I)N1CCC[C@H](Br)[C@H]1C(F)(F)F 2370243922 WERGNRLKWCHLPB-ONGXEEELSA-N 462.047 4.222 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@H]2CC[C@H]1[C@@H](Br)C2 2377469458 ZLYDWXWRMJBCJB-UWJYBYFXSA-N 488.039 4.148 50 10 JIGE O=C(NNC(=S)NC(=O)c1cc(Cl)cc(Cl)c1)c1ccc(NC(=O)C2CCCCC2)cc1 10506032 OBQGFSTZUFEVJL-UHFFFAOYSA-N 493.416 4.462 50 10 JIGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccs4)ccc32)cc(OC)c1OC 38660512 ZAAQZUPTPRRWJD-OAQYLSRUSA-N 464.499 4.211 50 10 JIGE CCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(C(C)(C)C)cc2)c(OC)c1 40878822 LWYRMOJSPZJOKK-XMHGGMMESA-N 450.535 4.410 50 10 JIGE COc1ccccc1/C=C(\C#N)C(=O)Oc1ccc(/C=C(\C#N)C(=O)NCc2ccco2)cc1 40928676 ZWSJZIAVAOZPIH-KVVJQUGZSA-N 453.454 4.024 50 10 JIGE COc1ccc(N(C(=O)/C(C#N)=C\c2ccccc2OC)S(=O)(=O)c2ccc(C)cc2)cc1 207132905 HPTMVHRSPWYGGY-SILNSSARSA-N 462.527 4.341 50 10 JIGE N#C/C(=C/N1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)Nc1ccccc1[N+](=O)[O-] 216823533 RICWJXXHFSJNHM-ATJXCDBQSA-N 467.529 4.348 50 10 JIGE C=CCn1c(COc2ccccc2)nnc1S[C@H](C)C(=O)NN=Cc1cc(Cl)ccc1O 252616828 KGHILLLLKWXIJN-OAHLLOKOSA-N 471.970 4.033 50 10 JIGE C[C@@H](Br)CN(C(=O)c1cc(Br)ccc1I)C1CC1 691364624 JRLWWWDBTUJGAF-MRVPVSSYSA-N 486.973 4.442 50 10 JIGE O=C(N[C@@H](CCBr)C1CCCC1)c1cc(I)ccc1O 725036703 HUVAXNCYUHWWER-ZDUSSCGKSA-N 452.130 4.070 50 10 JIGE CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)NNC(=O)c1ccc(COc3ccccc3)o1)O[C@H](C)C2 730516637 BOFQJKZRHHJGLJ-BUVFEPMLSA-N 476.529 4.145 50 10 JIGE C[C@H](Sc1ccccn1)C(=O)NN=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 1084016040 QLOLOVGBJHMZPZ-AWEZNQCLSA-N 467.463 4.321 50 10 JIGE C=CCOc1ccc(Br)cc1C=NNC(=O)c1cccc(I)c1 1084159381 BNLUEEVXTUGUPR-UHFFFAOYSA-N 485.119 4.382 50 10 JIGE C=CCOc1ccc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1Br 1084413636 USAYTJUCDQGUAP-FQEVSTJZSA-N 461.356 4.377 50 10 JIGE O=C(NN=Cc1cc(Br)ccc1O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 1084480594 SRORBUWDTWPAKB-UHFFFAOYSA-N 483.278 4.079 50 10 JIGE Cc1ccc(NC(=O)CN2C(=O)C(=NNC(=O)c3cccc4ccccc34)c3ccccc32)cc1 1084513919 BGZYBDQPZQUZCL-UHFFFAOYSA-N 462.509 4.268 50 10 JIGE COC(=O)c1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1cccs1)CCC2 1772748776 GBBGCTYEFVIHDN-UHFFFAOYSA-N 451.504 4.159 50 10 JIGE CC(=O)c1ccc2c(c1)N(Oc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1F)C(=O)[C@H](C)O2 1858694731 LAWLVBCDTUIXLA-ZDUSSCGKSA-N 496.407 4.050 50 10 JIGE CN(Cc1cnn(Cc2ccccc2)c1)S(=O)(=O)c1ccc(CCl)c(Br)c1 1915033081 NYWRXWRCENPXLN-UHFFFAOYSA-N 468.804 4.253 50 10 JIGE C[C@@H]1CN(c2ncc(I)cc2Br)C[C@@H](C)C1Br 2015759345 VBBHJFRXXWRMRN-HTQZYQBOSA-N 473.978 4.304 50 10 JIGE N#CC(=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1nnc(N2CCOCC2)n1-c1ccccc1 2053504416 FIUNTKYNXOJXPG-UHFFFAOYSA-N 468.473 4.336 50 10 JIGE Oc1cc(-n2nc(CCl)c(I)c2C(F)(F)F)nc(C(F)(F)F)c1 2078889528 SNGVLXXPASSGHU-UHFFFAOYSA-N 471.526 4.354 50 10 JIGE COc1cc(-n2nc(CBr)c(I)c2C(F)(F)F)ccc1O 2079257086 KDUPGRUMGUYOIW-UHFFFAOYSA-N 477.018 4.105 50 10 JIGE O=C(N[C@H]1CCCC[C@@H]1Br)c1ccc(Br)cc1I 2086148337 ZHUOGDSWPQZGBG-JQWIXIFHSA-N 486.973 4.490 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@H]2C[C@H]1CC[C@H]2Cl 2088641914 STVQZFIZBUMXGM-CKYFFXLPSA-N 454.533 4.286 50 10 JIGE CCCN(CCCBr)S(=O)(=O)c1cc(Br)ccc1Br 2093001528 QBEKKSJAKSMZRW-UHFFFAOYSA-N 478.044 4.397 50 10 JIGE COC[C@](C)(CBr)N(C)C(=O)c1c(Br)cccc1Br 2094095081 ISMWMKCLYQPTES-ZDUSSCGKSA-N 457.988 4.084 50 10 JIGE O=C(c1cc(Br)sc1Br)N1CC2(C1)OCCC[C@@H]2Br 2103413548 KEXSCGGJUWXXRQ-QMMMGPOBSA-N 474.012 4.042 50 10 JIGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1C[C@H](Br)C(F)(F)C1 2152097057 UHLQCJODHRWHMF-QMMMGPOBSA-N 473.948 4.159 50 10 JIGE Cc1cccc(C(=O)N2CCC([C@@H](F)CBr)CC2)c1I 2163247735 YQRVGTYVAIEHRC-ZDUSSCGKSA-N 454.121 4.185 50 10 JIGE O=C(c1cc(Br)ccc1Br)N1CCC[C@@H](OCCBr)C1 2170214203 RQACNBKDWCLSSN-LLVKDONJSA-N 469.999 4.228 50 10 JIGE C[C@H]1[C@H](C)N(S(=O)(=O)c2ccc(CCBr)s2)C[C@@H](C)N1Cc1ccccc1 2179823523 KPNSBXMAPSEPEM-IKGGRYGDSA-N 471.486 4.358 50 10 JIGE O=C(c1scc(Br)c1Br)N1CCO[C@@H]2C[C@@H](CBr)C[C@@H]21 2199777331 NKSIQQWRGBGION-UJNFCWOMSA-N 488.039 4.288 50 10 JIGE CN1CCC(CO[C@@](C)(CI)c2ccccc2Br)CC1 2235926701 XWVCIIAQKWYUND-INIZCTEOSA-N 452.174 4.458 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1[C@H]2CC[C@@H](Br)[C@H]1CC2 2238212939 YAOGKLSZULJAFG-HOSYDEDBSA-N 488.039 4.291 50 10 JIGE O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NN=Cc1ccc(F)cc1)OCc1ccccc1 2297635587 VFJJYMSCNQYMIU-DEOSSOPVSA-N 458.493 4.295 50 10 JIGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C)C(=O)C(C#N)=C2C)cc1 2314617566 DRPLORLDRKHHPW-UHFFFAOYSA-N 450.498 4.326 50 10 JIGE CCC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@H](C)[C@@]2(O)C(=O)CCl)[C@@H]2C[C@H](F)C3=CC(=O)C=C[C@]3(C)[C@@]12F 2333220568 GFVRBARAKYZKQQ-MYZDDHLGSA-N 484.967 4.051 50 10 JIGE Cc1cc(C(=O)NCC(F)(F)C(F)(F)CI)c(Br)s1 2336527909 VNPNPLXGXKEJLP-UHFFFAOYSA-N 474.055 4.254 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1C[C@@H]2C[C@H](C[C@@H]2Br)C1 2340067092 XTQXZAZAGOABPD-PTRXPTGYSA-N 454.533 4.190 50 10 JIGE O=C(c1cccc(F)c1I)N1[C@H]2CCC[C@H]2C[C@@H]1CBr 2354697238 GCBKCHXHHRFXRX-CWSCBRNRSA-N 452.105 4.208 50 10 JIGE C[C@@H](Br)C[C@H]1CCCCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364201075 BDXMHGFQXGNVPA-QZTJIDSGSA-N 499.471 4.201 50 10 JIGE C/C(=N/NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccncc1 13145061 VKHPKIUTQSUTOE-CFRMEGHHSA-N 463.346 4.343 50 10 JIGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)/C=C/c2ccc(OCC)cc2)cc1 13621189 QAQOWYZPURABSK-LICLKQGHSA-N 469.607 4.393 50 10 JIGE Nc1c(NNC(=O)c2cccc(Cl)c2)ncnc1Nc1ncc(C(F)(F)F)cc1Cl 40793223 IPYFAJXVTZBJBO-UHFFFAOYSA-N 458.231 4.280 50 10 JIGE Cc1c(C(=O)Nc2ccc(F)cc2)oc2c1/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 40814619 HSXLUTKHEVTHFR-ZXVVBBHZSA-N 464.453 4.287 50 10 JIGE O=c1[nH]c2ccc([C@H](Br)c3cc(Br)c(Br)s3)cc2[nH]c1=O 128549198 OKOVNLJPCNLIPQ-JTQLQIEISA-N 494.990 4.287 50 10 JIGE CC(C)Oc1c(Br)cc(/C=N\NC(=O)c2ccccc2O)cc1Br 169886771 OSJVWUJTUAWALI-UKWGHVSLSA-N 456.134 4.468 50 10 JIGE CCCOc1ccc(/C=N/NC(=O)c2ccc3[nH]c(-c4ccccc4O)nc3c2)cc1[N+](=O)[O-] 169926488 QKNUYMPSVAIYOF-AFUMVMLFSA-N 459.462 4.396 50 10 JIGE CCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)NC(C)C)cc2OC)cc1OC 206504113 YTGNYCBEJVHSIS-NHYIDKKOSA-N 464.518 4.153 50 10 JIGE COCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)COc2ccccc2-c2ccccc2)cc1 207147817 YWZSADSYZPPULI-XLNRJJMWSA-N 456.498 4.008 50 10 JIGE Cc1ccc(-c2nnc(SCC(=O)NN=Cc3ccccc3O)n2-c2ccc(C)cc2)cc1 254612826 NFMJCPJUTZYLQR-UHFFFAOYSA-N 457.559 4.499 50 10 JIGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccc(F)cc3)cc2)cc1 254824873 ODJXOKGZPNKGCY-UHFFFAOYSA-N 477.492 4.313 50 10 JIGE CC1(C)CN(Cc2ccccc2)CC[C@H]1NS(=O)(=O)c1ccc(CBr)cc1 390492187 OEYDRLWQIOEDLW-HXUWFJFHSA-N 451.430 4.161 50 10 JIGE O=C(CCl)c1c(I)ccc(Br)c1I 575687915 ZFHBSEADVNUCKG-UHFFFAOYSA-N 485.284 4.080 50 10 JIGE BrCC(CBr)(C[C@H]1COCCO1)c1cccc(Br)c1 690877492 KMIUVCZYLASZEQ-ZDUSSCGKSA-N 457.000 4.282 50 10 JIGE CC(C)(CNC(=O)c1scc(Br)c1Br)OCCBr 705409648 NLUSMYWZZFYRHH-UHFFFAOYSA-N 464.017 4.193 50 10 JIGE CCn1c(NNC(=O)[C@H](Oc2ccc(F)c(Cl)c2)c2ccccc2)nc2ccccc2c1=O 730521520 JIIVEOCETUCXMU-OAQYLSRUSA-N 466.900 4.472 50 10 JIGE Cc1nc2ccccn2c1C(=O)NN=Cc1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 1083933285 AEWKJMGYJSIBOJ-UHFFFAOYSA-N 461.909 4.078 50 10 JIGE O=C(NN=Cc1cc(Br)ccc1OCc1cccc(F)c1)c1ccc(O)cc1O 1084141827 VGDOWILLOXIZSO-UHFFFAOYSA-N 459.271 4.342 50 10 JIGE CCOC(=O)c1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccoc2C)CCC3)cc1 1772749507 OBIHLVYQOXGKIY-UHFFFAOYSA-N 463.490 4.389 50 10 JIGE C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)N/N=C/c4ccccc4C(F)(F)F)c(=O)c23)C1 1860773575 AVIWDCXAHYSZEE-BJZHADJJSA-N 462.497 4.313 50 10 JIGE COc1ccc(-c2nn(C)c3c2[C@H](c2cc(Br)ccc2F)C(C#N)=C(N)O3)cc1 1865701915 ICNWGYKCVWJAGY-QGZVFWFLSA-N 455.287 4.215 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc(Cl)c2)[C@H]1c1ccc(C(=O)O)cc1 1865709102 NRLFHMLPMRFTNU-HNNXBMFYSA-N 460.799 4.461 50 10 JIGE O=C(Cn1c(O)nc2ccccc2c1=O)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 1873793010 ZGOZZHLFKBVWIK-KKMKTNMSSA-N 497.338 4.138 50 10 JIGE COc1cc(/C=N/NC(=O)[C@H](C)NC(=O)OC(C)(C)C)ccc1OCc1ccc(Cl)cc1 1873793182 ATYWULIAHSITJX-SQAVSUBZSA-N 461.946 4.291 50 10 JIGE C[C@@H](Br)[C@@H](NC(=O)c1cc(Cl)ccc1I)C(F)(F)F 1882650677 DSWLAGYHVFDIRX-MLUIRONXSA-N 470.454 4.389 50 10 JIGE O=C(NC1(C(=O)NC[C@H]2C[C@@H](Br)C2)CC1)OCC1c2ccccc2-c2ccccc21 1891054297 LSYQVQZZWQCTLG-IYBDPMFKSA-N 469.379 4.347 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CC[C@](F)(CBr)C1 1917139455 AOBXERFJFJQPKI-LBPRGKRZSA-N 490.936 4.003 50 10 JIGE CC(C)(C)OC(=O)N1C[C@H](OCc2cc(F)ccc2Br)[C@H](Br)C1 1994979826 BFENKZAHZFVWSE-KGLIPLIRSA-N 453.146 4.488 50 10 JIGE O=C(NC[C@H](CBr)C1CC1)c1cc(Br)ccc1I 2029480752 GBIHCHRWDZSKBN-VIFPVBQESA-N 486.973 4.205 50 10 JIGE CN(C[C@H]1C[C@H](Br)C1)C(=O)c1cc(Br)ccc1I 2076207863 JKICPHZFODHDBN-CZMCAQCFSA-N 486.973 4.299 50 10 JIGE O=C(NC[C@H]1CC[C@H](Br)C1)c1ccc(Br)cc1I 2086147905 UFVPZGYHUHNXPT-IUCAKERBSA-N 486.973 4.347 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1C[C@@H](Br)[C@@H](C2CC2)C1 2090685445 PEZJPTTVZLJPCW-GHMZBOCLSA-N 454.533 4.190 50 10 JIGE C[C@@H]1CN(C(=O)c2cc(Cl)ccc2I)CC[C@@H]1CBr 2109030071 CJDUCVNGLLJMRL-NXEZZACHSA-N 456.549 4.438 50 10 JIGE COc1ccc(C[C@@H](Br)c2cc(I)sn2)cc1OC 2120031377 IRZJTYFOJURSQK-SECBINFHSA-N 454.127 4.444 50 10 JIGE O=C(NCC1(F)CCC(CBr)CC1)c1csc(I)c1 2122083453 VUYXXYNFXDQKIC-UHFFFAOYSA-N 460.150 4.376 50 10 JIGE O=S(=O)(c1ccsc1CBr)N1CC[C@H]2CC[C@@H](C1)N2Cc1ccccc1 2123282854 FBIZQSNABSJQNZ-SJORKVTESA-N 455.443 4.071 50 10 JIGE C[C@@H](Br)CCc1cn(Cc2ccc(I)c(Cl)c2)nn1 2142959695 WGBZVSHFWSFEOW-SECBINFHSA-N 454.537 4.300 50 10 JIGE COc1cc(Br)c([C@@H](Br)c2cc(Br)n(C)n2)cc1OC 2150479216 UDQQGJGDNSXLNF-CYBMUJFWSA-N 468.971 4.447 50 10 JIGE Cc1cc(S(=O)(=O)N(C)[C@H](CCBr)C(F)(F)F)sc1Br 2178518707 TUVPBSHPTHTYOI-SSDOTTSWSA-N 459.147 4.155 50 10 JIGE CC(C)[C@H]1CN(S(=O)(=O)c2cccc(CBr)c2)CCN1Cc1ccccc1 2179821408 KDOQLUBHTIYYHT-OAQYLSRUSA-N 451.430 4.113 50 10 JIGE CN(C1CC(OCc2ccccc2)C1)S(=O)(=O)c1cc(CBr)n(C2CC2)c1 2179858893 VLYJXLGAHMHALL-UHFFFAOYSA-N 453.402 4.086 50 10 JIGE O=C(c1c(Br)cccc1Br)N1CC[C@H](OCCCBr)C1 2207037706 LNIODFBRZCSLME-JTQLQIEISA-N 469.999 4.228 50 10 JIGE BrC[C@]12CN(Cc3c(Br)cccc3Br)C[C@@H]1CCO2 2231272519 MAXPMPJXGDBLMA-HZMBPMFUSA-N 454.000 4.197 50 10 JIGE CC(C)(C)OC(=O)NC[C@H]1CN(CCCCI)CC[C@@H]1C(F)(F)F 2248246953 DJIKBCXKYHUOFX-STQMWFEESA-N 464.310 4.227 50 10 JIGE O=C(N[C@@H]1C[C@H](CBr)[C@H]2C[C@@H]21)c1ccc(Cl)c(I)c1 2268358361 YZBKZYNHWZUHLR-ORXSELOVSA-N 454.533 4.094 50 10 JIGE O=C(c1cc(Br)c(Br)s1)N1C[C@@H]2CC[C@H](CBr)O[C@@H]2C1 2289203689 JHUUVRKUUFBHMU-QXFUBDJGSA-N 488.039 4.288 50 10 JIGE F[C@H]1CN(Cc2ccc(I)c(Br)c2)C[C@@H]1CBr 2306216865 KMWNJFRICNRLAF-ONGXEEELSA-N 476.953 4.219 50 10 JIGE F[C@]1(CBr)CCN(Cc2ccc(I)c(Br)c2)C1 2306223292 DFQWMVBYMCFTBG-LBPRGKRZSA-N 476.953 4.363 50 10 JIGE COc1cc(C=NNC(=O)CCc2nc3ccccc3[nH]c2=O)ccc1OCc1ccc(Cl)cc1 2321685159 OTLHJZDJMYWJND-UHFFFAOYSA-N 490.947 4.247 50 10 JIGE CC(C)Oc1c(Br)cc(C=NNC(=O)c2ccc(N)cc2)cc1Br 2323310782 QULRYCTVZDPBSJ-UHFFFAOYSA-N 455.150 4.345 50 10 JIGE CCOc1cc(C=NNC(=O)[C@@H](N)Cc2ccccc2)ccc1OCc1cccc(Cl)c1 2328798523 DKHVCSGQMVIMSS-QFIPXVFZSA-N 451.954 4.338 50 10 JIGE Cl[C@H]1CO[C@@]2(CCN(Cc3ccc(I)c(Br)c3)C2)C1 2349836200 ZAMIQYYRAMOOSB-RISCZKNCSA-N 456.549 4.026 50 10 JIGE C[C@H](Br)CN1CCCN(Cc2cc(I)ccc2Cl)CC1 2380527376 MSDGQUZSYVUXGO-LBPRGKRZSA-N 471.608 4.236 50 10 JIGE CCc1ccc(OCC(=O)NNC(=O)c2ccccc2OCCc2ccccc2)c(Br)c1 10509275 MWZZETOVUHVMJL-UHFFFAOYSA-N 497.389 4.473 50 10 JIGE CC[C@@H](Oc1ccccc1C)C(=O)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 13995294 OFLRGINMXOPXNE-QGZVFWFLSA-N 452.338 4.026 50 10 JIGE CCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccccc1[C@@H](C)CC 14032338 YBXHQIVDJGTOGS-KRWDZBQOSA-N 457.596 4.094 50 10 JIGE CC(C)CCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)CC(C)C)cc1 14034474 FPAYVXYKTSFEHD-UHFFFAOYSA-N 484.622 4.045 50 10 JIGE COc1ccc(C(=O)NNC(=O)c2cc(Br)ccc2OC(C)C)cc1Br 14668015 ZZFCCRPJDWJKSM-UHFFFAOYSA-N 486.160 4.082 50 10 JIGE COc1ccc(Oc2ncnc(NNC(=O)C(c3ccccc3)c3ccccc3)c2[N+](=O)[O-])cc1 40659395 PXBVSGFXRQEXDF-UHFFFAOYSA-N 471.473 4.461 50 10 JIGE COc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2ccccc2)CCC3)c(OC)c1 40815781 DLCTWANVSZEDOQ-VFCFBJKWSA-N 461.518 4.257 50 10 JIGE CCOc1ccc(/C=C(\C#N)C(=O)N(c2ccccc2)S(=O)(=O)c2ccccc2)cc1OC 40977727 UEOUHXJHTFUAMG-CAPFRKAQSA-N 462.527 4.423 50 10 JIGE C/C(CC(=O)Nc1ccccc1C(F)(F)F)=N\NC(=O)c1ccc(I)cc1 100986465 LPXAGVCIYLSZNE-BHGWPJFGSA-N 489.235 4.445 50 10 JIGE CCOc1c(/C=N\NC(=O)c2ccc3[nH]c(Cc4ccc(OC)cc4)nc3c2)cccc1OC 169925537 HHZFOIRGWQIABF-YUMHPJSZSA-N 458.518 4.334 50 10 JIGE Cc1ccc(N/C=C(/C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(O)c1 216505916 GBJASHHUQSWHLP-GFMRDNFCSA-N 452.558 4.454 50 10 JIGE CC(C)C[C@@H](Br)CNS(=O)(=O)c1cc(Br)ccc1Br 226269659 RCICRLBLUGRLMF-SNVBAGLBSA-N 478.044 4.300 50 10 JIGE O=C(N[C@H]1CCC[C@@H]1CBr)c1cc(Br)ccc1I 231577418 YVZFHWVDUQNPPN-PELKAZGASA-N 486.973 4.347 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N(CCBr)CC(F)F)cc1Br 231581939 FGFXXYXSOFHDAK-UHFFFAOYSA-N 499.997 4.171 50 10 JIGE CC(CBr)(CBr)NC(=O)c1ccc(I)c(Cl)c1 232349573 BXXIRNIBIKCLJL-UHFFFAOYSA-N 495.380 4.223 50 10 JIGE C[C@@H]1C[C@H](CI)[C@@H](I)[C@@H](C)N1C(=O)OC(C)(C)C 307741288 QDDMOKLJARGSHX-DBIOUOCHSA-N 479.140 4.259 50 10 JIGE C[C@@H](Br)c1cnnn1-c1ccc(I)c(Br)c1 309453577 RQPHILNBBHBSDR-ZCFIWIBFSA-N 456.907 4.090 50 10 JIGE O=S(=O)(NC[C@@H](Br)C1CCC1)c1cc(Br)ccc1Br 315634594 YSQMHSIORMMXIL-LLVKDONJSA-N 476.028 4.054 50 10 JIGE C[C@@H]1[C@H](Br)C[C@H]2CC[C@H]1N2C(=O)c1cccc(F)c1I 721679119 MVBOUSQOMLJAAR-RUSTZOOPSA-N 452.105 4.207 50 10 JIGE CC(=NNC(=O)c1ccc(CSc2nncn2C)cc1)c1c(C)nn(-c2ccccc2)c1C 746486807 HUOPTZPEDKBILA-UHFFFAOYSA-N 459.579 4.064 50 10 JIGE COc1ccc(OC)c2c1CN(C(=O)/C(C#N)=C/c1cc(C)n(-c3ccc(F)cc3)c1C)C[C@@H]2O 843453263 HAQPIEKPOGAKJM-MKXOMJGDSA-N 475.520 4.233 50 10 JIGE N#CCCn1cc(/C=C(/C#N)C(=O)N2CCCN(c3nccs3)CC2)c(-c2ccc(Cl)cc2)n1 920820671 DJOOUZNIIHMJHT-CYVLTUHYSA-N 492.008 4.220 50 10 JIGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)NN=Cc1cccc(O)c1 1084244688 LKAFGNIBPJVQQZ-HNNXBMFYSA-N 470.986 4.066 50 10 JIGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)CC[C@@H](O)c3ccc(OCC)cc3)o2)cc1 1084568933 NOIXANFXLDXPMH-HSZRJFAPSA-N 464.518 4.486 50 10 JIGE O=C(NNC(=O)c1cncn1-c1ccccc1)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12 1115971867 NBLHNANHFPFWNR-UHFFFAOYSA-N 482.475 4.167 50 10 JIGE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NNc2ccccc2Cc2ccccc2)cc1 1475974073 QQYNUCVKRUDRBE-UHFFFAOYSA-N 450.564 4.233 50 10 JIGE CC(=O)CCc1ccc2oc(C(=O)NNC(=O)c3cc(-c4ccc(C)c(C)c4)[nH]n3)c(C)c2c1 1650865097 PHYLABBWTNZZAL-UHFFFAOYSA-N 458.518 4.345 50 10 JIGE CC(=O)c1ccc(Br)c(NC(=O)NNC(=O)c2cc3c(s2)CCCCC3)c1 1664271392 MPCWGKVWWYICKI-UHFFFAOYSA-N 450.358 4.449 50 10 JIGE COc1ccc(CCNC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2)CCC3)cc1OC 1772745053 QVTAUDPQDRNORS-UHFFFAOYSA-N 475.545 4.048 50 10 JIGE CCOC(=O)c1cnn(-c2ccc(Cl)cc2)c1NC(=O)/C(C#N)=C/c1ccc(OC)c(OC)c1 1866132902 IWYFIXMLCGBOAQ-LFIBNONCSA-N 480.908 4.265 50 10 JIGE O=C(c1c(Br)cccc1Br)N1C[C@@H]2CC[C@@]2(CBr)C1 1903929703 AVYGECIYFDBCEZ-LKFCYVNXSA-N 451.984 4.459 50 10 JIGE O=C(NC1CC([C@@H](F)CBr)C1)c1ccc(Br)cc1Br 1906452700 GBAVYMVDXDFEHS-FMDDCXKFSA-N 457.963 4.453 50 10 JIGE CN(CCN(Cc1ccccc1)S(=O)(=O)c1cc(CBr)n(C)c1)Cc1ccccc1 1984644124 FEGONQYFUVUBSM-UHFFFAOYSA-N 490.467 4.243 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OC[C@H]2CC23CCOCC3)C1 2077646392 TVTGKNFCTAJYSO-BEFAXECRSA-N 465.372 4.024 50 10 JIGE CCN(CCCCBr)S(=O)(=O)c1cc(Br)ccc1Br 2102864859 OCBJWNABRYKASA-UHFFFAOYSA-N 478.044 4.397 50 10 JIGE C[C@@]12CN(C(=O)c3c(Br)cccc3Br)C[C@@]1(CBr)C2 2109181493 GSFRCYGWURFNNW-KGLIPLIRSA-N 451.984 4.459 50 10 JIGE BrC[C@@H]1C[C@H]2OCC[C@H]2N1Cc1cc(Br)ccc1Br 2118525464 UMYGMTBMPNYYCJ-IACUBPJLSA-N 454.000 4.338 50 10 JIGE CN(C)C[C@@H]1C[C@@H](Br)CN1Cc1cc(Br)ccc1Br 2122380449 KIVXDDZSQVLPJC-OLZOCXBDSA-N 455.032 4.111 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@@H](CBr)C2(CC2)C1 2142280136 ZJISWMAXANTLMH-SECBINFHSA-N 498.984 4.301 50 10 JIGE CC(C)(C)OC(=O)N[C@@H](C[S@@](C)(=O)=NC(=O)N1CCC(Br)CC1)C(C)(C)C 2162868424 PXSGJIWJIFWGDW-PGGUUEOZSA-N 468.458 4.003 50 10 JIGE Cc1ccc(S(=O)(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)cc1CBr 2179785823 QZNZTHHLFUOUBB-SFHVURJKSA-N 451.430 4.175 50 10 JIGE CN([C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)S(=O)(=O)c1csc(CBr)c1 2179810845 HMFBEMFSKAZLLT-PIIMJCKOSA-N 469.470 4.459 50 10 JIGE COc1cc(S(=O)(=O)N(Cc2ccccc2)CC(F)F)cc(CBr)c1OC 2179829984 GXVIRMNVWOTXKM-UHFFFAOYSA-N 464.328 4.055 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCNCc1cc(Br)c2c(c1)OCCO2 2181745477 CIQFDPUUGGGBBA-UHFFFAOYSA-N 479.462 4.216 50 10 JIGE O=S(=O)(C1CC(OCc2ccccc2)C1)N1CCC(CBr)(CC(F)F)CC1 2188337603 NUGAEDGZZJQBHT-UHFFFAOYSA-N 466.388 4.196 50 10 JIGE CC1(C)[C@H](Br)CC[C@H]1NS(=O)(=O)c1cc(Br)ccc1Br 2207103893 XNMJJPXDXGSCRD-VXGBXAGGSA-N 490.055 4.442 50 10 JIGE C[C@@H]1C[C@H](Br)[C@@H](C)N(c2ncc(I)cc2Br)C1 2214805017 KWRXRHDXAKBKOV-MRTMQBJTSA-N 473.978 4.447 50 10 JIGE BrC[C@]12COC[C@@H]1CN(Cc1cccc(Br)c1Br)C2 2226184351 GGUDOCGGJGAXAG-FZMZJTMJSA-N 454.000 4.055 50 10 JIGE O=C(N[C@H]1C[C@@H](CCl)[C@@H]2C[C@H]12)c1cc(I)ccc1Br 2329876509 GAHBHSRKYLPKFS-PYSAPBNWSA-N 454.533 4.047 50 10 JIGE CC(C)(C)OC(=O)N1CCCN([S@@](C)(=O)=NC[C@@](C)(CBr)C(C)(C)C)CC1 2380204628 AXLYGJLNZMFMLC-WINIVTDRSA-N 468.502 4.389 50 10 JIGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)C(=O)Nc1nccs1 2630747 QEEDPHQPQRNWKC-ATVHPVEESA-N 455.499 4.313 50 10 JIGE CC(C)(C)c1cc(Br)ccc1OCC(=O)NNC(=O)c1ccccc1Br 14668264 SJCNEKXFGOMBKR-UHFFFAOYSA-N 484.188 4.349 50 10 JIGE CNC(=O)/C(C#N)=C1/S[C@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(F)cc1 33733246 HNCIMJBMTWXHSL-FABDANFUSA-N 450.322 4.305 50 10 JIGE CC(C)(C)c1ccc(OCCN2C(=O)C(=NNC(=O)c3ccc(O)cc3)c3ccccc32)cc1 245264360 CXVOXBQSUSWTOM-UHFFFAOYSA-N 457.530 4.249 50 10 JIGE CC[C@@H]1[C@@H](CBr)CCN1S(=O)(=O)c1cc(Br)ccc1Br 385967663 ZTSWBHZHEMZDMN-BXKDBHETSA-N 490.055 4.396 50 10 JIGE O=C(NC[C@]1(CBr)CCCOC1)c1cc(Br)ccc1Br 700910171 BKVFIUSYGZHBFO-CQSZACIVSA-N 469.999 4.133 50 10 JIGE Cc1cc(/C=C(\C#N)C(=O)NC2CCN(C(=O)CC(F)(F)F)CC2)c(C)n1CCC(C)C 726948902 RNLPGUMAJZDSTB-XDHOZWIPSA-N 452.521 4.118 50 10 JIGE CCOc1cc(/C=C(\C#N)C(=O)N(C)C)c(Br)cc1OCc1ccccc1C#N 1084614671 IQKANLXPRPPWHB-GIJQJNRQSA-N 454.324 4.294 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)cc2)[C@@H]1c1ccc(C(=O)O)cc1 1865709430 VIUWITNRTHBKIS-OAHLLOKOSA-N 460.799 4.461 50 10 JIGE CCOc1cc(/C=N/NC(=O)[C@@H](N)Cc2ccccc2)ccc1OCc1cccc(Cl)c1 1873793226 DKHVCSGQMVIMSS-MGZHSMRGSA-N 451.954 4.338 50 10 JIGE C=CC[C@@H](CBr)CNC(=O)c1cc(Br)ccc1I 2082054926 KDKCBTDUKFRUHX-VIFPVBQESA-N 486.973 4.371 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N(CCBr)[C@H]2C[C@H]2C)cc1Br 2167107683 XQFFAFDQFBBACU-SKDRFNHKSA-N 490.055 4.314 50 10 JIGE Cc1ccc(C(=O)N2C[C@H](CBr)CC(C)(C)C2)cc1I 2232832519 CRBUQRVXSOBAGD-LBPRGKRZSA-N 450.158 4.483 50 10 JIGE CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccc(OC(=O)c2ccc(F)cc2)cc1 2328826182 RPIFIEATRCWTKG-FQEVSTJZSA-N 489.569 4.141 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1CCC12CC(CBr)C2 2340069400 YLENGTZGDVEHQU-UHFFFAOYSA-N 454.533 4.334 50 10 JIGE CC(C)COc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccccc1-c1ccccc1 14035304 IUIPKBAXCBNJRH-UHFFFAOYSA-N 477.586 4.103 50 10 JIGE CC(C)Oc1ccc(C(=O)NC(=S)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 14039059 JSMBNLMEVNKCRL-UHFFFAOYSA-N 484.405 4.275 50 10 JIGE CC(C)c1ccc(O[C@@H](C)C(=O)NNC(=O)COc2ccc(Br)cc2Cl)cc1 14040267 PGPFSFWIHDDQEC-ZDUSSCGKSA-N 469.763 4.220 50 10 JIGE COCCn1c(C)cc(/C=C(/C#N)C(=O)OCC(=O)Nc2c(Cl)ccc(C)c2Cl)c1C 33497210 NLQZCTDZSRWPAU-YVLHZVERSA-N 464.349 4.455 50 10 JIGE COc1ccc(/C=C\C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1OC 33561838 BCIDPWKMHFBQNP-XFFZJAGNSA-N 491.382 4.003 50 10 JIGE COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N/N=C(/C)c2ccccc2OC(F)F)c1 33742019 GZDUMZRZAPMWQL-YSMPRRRNSA-N 489.500 4.251 50 10 JIGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(OC)cc4)ccc32)c1 38684544 SYPNKGXMWIYAEU-HHHXNRCGSA-N 484.508 4.463 50 10 JIGE CCCN(CCC)c1ccc(C(=O)N/N=C2/C(=O)N(CCN3CCCCC3)c3ccccc32)cc1 59152847 WUSYDPHHIAVIGA-PBBVDAKRSA-N 475.637 4.280 50 10 JIGE CCCCCCOc1ccc(/C=C2\C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)cc1OC 214328943 CNGRMOHECIIPFU-PLDFPGSMSA-N 452.551 4.426 50 10 JIGE N#C/C(=C/N(Cc1ccccc1)Cc1ccccc1)C(=O)N1CCN(Cc2ccccc2)CC1 217257326 KZQDXLZMNVXGDK-COOPMVRXSA-N 450.586 4.441 50 10 JIGE O=C(NN=Cc1c(O)ccc2ccccc12)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254381035 RYUMENPZWADIHQ-ICEIZTFMSA-N 479.492 4.195 50 10 JIGE Cc1nn(Cc2ccccc2)c(C)c1C=NNC(=O)Cn1c(C(F)(F)F)nc2ccccc21 254512754 GFSCSUUUFUDHBA-UHFFFAOYSA-N 454.456 4.067 50 10 JIGE C[C@H]1[C@H](Br)CCCN1C(=O)c1cc(I)ccc1Br 395215872 KJDKFFXFLXAZFD-GZMMTYOYSA-N 486.973 4.442 50 10 JIGE C[C@@]12CN(Cc3ccccc3)C[C@@H]1CN(S(=O)(=O)c1cc(CCl)sc1Br)C2 702082688 RJVJSLDPCZKDOO-BEFAXECRSA-N 489.888 4.392 50 10 JIGE COc1c(Br)cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc1Br 1083888986 ZIPGFMHLFJESSA-MRXNPFEDSA-N 470.161 4.184 50 10 JIGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)c3cc(Br)ccc3O)o2)cc1 1084379626 MNOGDCVOYGWYAK-UHFFFAOYSA-N 457.280 4.355 50 10 JIGE C=CCn1nc(C)c(-c2cc(C(=O)NNc3ccc(-c4ccc(Cl)s4)nn3)n[nH]2)c1C 1648892531 AZSXRRZRFJDZJZ-UHFFFAOYSA-N 454.947 4.005 50 10 JIGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@H](c2ccccc2OC)C(C#N)=C(N)O3)cc1 1865709808 HGQHQZOJZDPERQ-JOCHJYFZSA-N 451.486 4.170 50 10 JIGE CSCC[C@@H](NC(=O)CCCc1ccc2c(c1)OCCO2)C(=O)Nc1ccc(SC#N)cc1 1866788580 CDHSSAJDBWCCGZ-HXUWFJFHSA-N 485.631 4.230 50 10 JIGE CC(C)c1cc(C(C)C)cc(N2C[C@@H](C(=O)N3CCC[C@H](C(=O)NNc4ccccn4)C3)CC2=O)c1 1872960036 AGOKCHMNNIPBSP-REWPJTCUSA-N 491.636 4.063 50 10 JIGE CC[C@H]1CSC(Nc2ccc(C(C)=NNC(=O)Cn3cc(C(F)(F)F)cc(Cl)c3=O)cc2)=N1 2069656848 UIRGSOOIHPOGFQ-HNNXBMFYSA-N 499.946 4.354 50 10 JIGE COc1ncc(-n2nc(CBr)c(I)c2C(F)(F)F)cc1C 2078931921 BMIJCJZXLVAOQN-UHFFFAOYSA-N 476.034 4.103 50 10 JIGE BrCCN1CCC[C@@H](NCc2ccc(Br)cc2Br)C1 2092262325 YQKGYYVOFDZIOD-CYBMUJFWSA-N 455.032 4.161 50 10 JIGE CN(Cc1ccccc1)[C@@H]1CCN(S(=O)(=O)c2cc(CCl)ccc2Br)C1 2095822865 CTEOLBBZOCJTGS-QGZVFWFLSA-N 457.821 4.083 50 10 JIGE C[C@H]1C[C@@H](Br)CCN(S(=O)(=O)c2cc(Cl)c(Br)s2)C1 2103289176 WRYCHMVMMUSLLA-YUMQZZPRSA-N 451.633 4.348 50 10 JIGE O=C(N[C@@H]1C[C@H](CBr)[C@H]2C[C@H]21)c1cccc(Br)c1Br 2110549178 MAEWMMZAFJYPDU-UGKPPGOTSA-N 451.984 4.361 50 10 JIGE O=C(N[C@@H]1C[C@H](CBr)[C@@H]2C[C@H]12)c1ccc(I)c(Cl)c1 2110550332 SADAHLHMOOTJBN-KEPMVKOISA-N 454.533 4.094 50 10 JIGE O=S(=O)(c1ccc(CBr)s1)N1[C@H]2CCC[C@H]1CN(Cc1ccccc1)C2 2125909524 YLRHYYCKTZQAEQ-IRXDYDNUSA-N 455.443 4.071 50 10 JIGE C[C@@H]1C[C@H](N(C)S(=O)(=O)Cc2cccc(CBr)c2)CN1Cc1ccccc1 2179786215 XFDFEPVQIXVUBY-UTKZUKDTSA-N 451.430 4.006 50 10 JIGE COc1cc(C=C(C#N)C(=O)NC(C)C)ccc1OC(=O)COc1cc(C)c(Cl)c(C)c1 2314737572 YCDGGDZEEDBHTN-UHFFFAOYSA-N 456.926 4.381 50 10 JIGE O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)NN=Cc1ccc(F)c(Br)c1 2318792722 ROFXQENQQHIATO-UHFFFAOYSA-N 485.338 4.177 50 10 JIGE Cn1cc(I)c(COc2ccc(Br)cc2CBr)n1 2319227364 ZXGLKVPGIBINRW-UHFFFAOYSA-N 485.945 4.261 50 10 JIGE CCOc1cc(C=NNC(=O)Cc2cc(OC)ccc2Cl)cc(Br)c1OC 2323676286 GAEYPPMMIBEKNV-UHFFFAOYSA-N 455.736 4.211 50 10 JIGE N#CC(=Cc1ccc(F)cc1)C(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 2329635401 BWKPCFMPKRDYFM-VWLOTQADSA-N 486.499 4.094 50 10 JIGE COc1cc(OC)c(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)cc1Br 12571705 QCMPSDHUIFFTHY-ODCIPOBUSA-N 462.127 4.302 50 10 JIGE CC(C)CCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(OCC(C)C)cc1 14034505 VHUKJTGMQIKHNN-UHFFFAOYSA-N 457.596 4.096 50 10 JIGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NCCCOC(C)C)c(C)c1 33590290 YPJMFGOQYBZOMO-RCCKNPSSSA-N 474.561 4.250 50 10 JIGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(OC)cc4)ccc32)cc1 38685957 AEORRMGRXHIVDP-AREMUKBSSA-N 456.498 4.460 50 10 JIGE CCN1CCN(C(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2coc4c(C)c(C)ccc24)CCC3)CC1 40826692 DWFSLZVMGWIHJO-QUPMIFSKSA-N 490.604 4.128 50 10 JIGE CCOc1ccc(NC(=O)N/N=C/c2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)cc1 59249826 HWLLUVGDCDTTCZ-DHRITJCHSA-N 464.478 4.045 50 10 JIGE CCOC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1OC 59335378 PNBTXBRQIHOAPD-SXGWCWSVSA-N 473.323 4.254 50 10 JIGE COc1cc(Br)c([C@H](Br)c2cnn(C)c2Br)cc1OC 379164467 LKUDTSOUKZKSHZ-LBPRGKRZSA-N 468.971 4.447 50 10 JIGE BrCc1cc(Br)cc(Br)c1OCCO[C@H]1CCOC1 724965494 JLRAIPNLQMPCND-NSHDSACASA-N 458.972 4.291 50 10 JIGE N#CCCn1cc(/C=C(\C#N)C(=O)OCC(=O)c2ccc3c(c2)OCO3)c(-c2ccc(Cl)cc2)n1 782091116 BUEIUMIEYCLSGJ-VCHYOVAHSA-N 488.887 4.179 50 10 JIGE N#CCCn1cc(/C=C(/C#N)C(=O)Nc2cccc(NC(=O)C3CC3)c2)c(-c2ccccc2)n1 914469723 CPWZNOYMFXZQBL-ZHZULCJRSA-N 450.502 4.358 50 10 JIGE Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1C=NNC(=O)[C@H](C)SCc1ccccc1 1084097666 WURLDLGEVZGSOP-INIZCTEOSA-N 482.522 4.078 50 10 JIGE COc1cccc(N(CC(=O)NN=Cc2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c1 1084276396 OSDNWCUDBSSFFK-UHFFFAOYSA-N 491.491 4.060 50 10 JIGE O=C(Nc1ccccc1C(=O)NN=Cc1ccc([N+](=O)[O-])cc1)c1cccc(Br)c1 1084319837 APNRCLBDERSEJA-UHFFFAOYSA-N 467.279 4.374 50 10 JIGE C/C(=C/C(=O)NNC(=O)COc1ccccc1Br)c1cccc(C(F)(F)F)c1 1596609103 MPNLXTLNXCDELR-XFXZXTDPSA-N 457.246 4.098 50 10 JIGE Cc1ccc(C)c(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(C(=O)O)cc2)c1 1865708775 FUQJPRLJYGGUSC-SFHVURJKSA-N 468.435 4.483 50 10 JIGE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1cc(OC)c(OC)cc1OC)C(C#N)=C(N)O2 1865712032 OILMYYNNDIIHNB-DEOSSOPVSA-N 474.561 4.355 50 10 JIGE Cc1ccc(/C=C(\C#N)C(=O)N[C@@H](CC(=O)OCc2ccccc2)C(=O)OCc2ccccc2)cc1 1866126400 OXGAAJPWRQVDIK-GNRLCUHXSA-N 482.536 4.264 50 10 JIGE C[C@H](CCBr)CCN(Cc1ccccc1)CC1(O)CN(C(=O)OC(C)(C)C)C1 1955943563 PLEUYDUYMGJOKQ-GOSISDBHSA-N 455.437 4.282 50 10 JIGE C[C@]12CN(c3ncc(I)cc3Br)C[C@@]1(CBr)C2 2015757328 RXJOQHYXRDPLLM-RYUDHWBXSA-N 471.962 4.060 50 10 JIGE BrCc1ccc(N2C[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)c(Br)c1 2036445915 PJDURVIMOFMANA-UXHICEINSA-N 466.217 4.434 50 10 JIGE CC[C@H]1CN(S(=O)(=O)c2cc(C)c(CBr)s2)CCN1Cc1ccccc1 2123243789 ODMSAGCHPHZLQT-KRWDZBQOSA-N 457.459 4.237 50 10 JIGE C[C@@]1(CCBr)CCN(S(=O)(=O)c2cc(Cl)c(Br)s2)C1 2131897769 YYARHOZFHRHECR-LLVKDONJSA-N 451.633 4.350 50 10 JIGE C[C@]1(CBr)C=CCN1C(=O)c1cc(Br)ccc1I 2221460748 IZNINUKVGMLGEF-CYBMUJFWSA-N 484.957 4.219 50 10 JIGE CC(C)(CBr)CS(=O)(=O)N1CCC[C@@]2(CCCN(Cc3ccccc3)C2)C1 2290041684 ZASVGRYTGBYVSO-OAQYLSRUSA-N 457.478 4.116 50 10 JIGE CCOc1c(Br)cc(C=NNC(=O)c2ccccc2OC)cc1Br 2322948673 WKXNJFKNQJLPPQ-UHFFFAOYSA-N 456.134 4.383 50 10 JIGE COC(=O)c1ccccc1N1C[C@H](C(O)=C(C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1=O 2331232767 MREKLZIQZYUWKO-OAHLLOKOSA-N 490.497 4.351 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1C[C@H]2CC[C@@]1(CBr)C2 2340061547 OWPVLANJGCIHKH-XPTSAGLGSA-N 454.533 4.334 50 10 JIGE Cc1scc(C(=O)NCC(F)(F)C(F)(F)CI)c1Br 2343566739 OJZVQNWFNPGFMT-UHFFFAOYSA-N 474.055 4.254 50 10 JIGE CC[C@H](Cl)[C@@H]1CCCCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364214955 QQAPIBFUAFSWKP-PMACEKPBSA-N 455.020 4.045 50 10 JIGE Clc1ccc(CN2C[C@H](Br)C[C@]3(CCCO3)C2)c(I)c1 2366714750 LBNWMNWRVHJIQS-IUODEOHRSA-N 470.576 4.463 50 10 JIGE O=C(NN1C(=O)/C(=C\c2ccco2)N=C1c1ccccc1)[C@H](Cl)CC(Cl)(Cl)Cl 1091072 VNINXEWTYNHBQU-OZYJXZHSSA-N 461.132 4.308 50 10 JIGE CC[C@@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)c1 10672099 XEHJKHAUSXDMFH-QGZVFWFLSA-N 490.585 4.066 50 10 JIGE Cc1ccc(OCC(=O)NNC(=O)c2ccc(OCc3ccccc3)cc2)c(Br)c1 14027877 SIFMQMDTGOOATL-UHFFFAOYSA-N 469.335 4.177 50 10 JIGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2-c2ccccc2)cc1 14030111 VARXEGPRAJTPGD-UHFFFAOYSA-N 477.586 4.247 50 10 JIGE O=C(COc1cccc2ccccc12)NNC(=O)c1cccc(OCCOc2ccccc2)c1 14040923 AIPHXLPFIVOGKL-UHFFFAOYSA-N 456.498 4.138 50 10 JIGE COc1cccc(NC(=O)/C(C#N)=C\c2c(Oc3ccccc3F)nc3c(C)cccn3c2=O)c1 39858738 JYPVDCKETOGQRT-LGMDPLHJSA-N 470.460 4.489 50 10 JIGE COc1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 40812230 HCMMKZLGGVTTPR-NLRVBDNBSA-N 462.462 4.228 50 10 JIGE CC(C)COc1ccc(Br)cc1/C=C(/C#N)C(=O)NCc1ccc2c(c1)OCO2 96438305 AGVKWIGWDLWYSE-IUXPMGMMSA-N 457.324 4.436 50 10 JIGE O=S1(=O)CC[C@@H](C(CBr)(CBr)Cc2ccc(Br)s2)C1 118669521 BENJPHUGZATIEO-SECBINFHSA-N 495.096 4.264 50 10 JIGE COCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)CCCOc2ccc(C(C)C)cc2)c(OC)c1 206992549 LPNJQRILHYXJQN-JWGURIENSA-N 480.561 4.253 50 10 JIGE CCOc1cc(/C=C2\C(=O)N(CCOC)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 214288589 JOOCMEVEZOZYPO-BKUYFWCQSA-N 464.493 4.042 50 10 JIGE COc1cc(C[C@@H](Cl)c2cc(I)ccc2Br)ncn1 234988403 ZKLFWTDCWJMTOO-GFCCVEGCSA-N 453.505 4.375 50 10 JIGE CCO[C@@H]1[C@@H](Br)C[C@H]1Oc1c(Br)cc([N+](=O)[O-])cc1Br 252878647 YLFJPFLXEALPOI-HOSYDEDBSA-N 473.943 4.440 50 10 JIGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)C(=O)Nc2ccccc2OC)cc1 254369325 WPKQWNRFMRVYPC-UHFFFAOYSA-N 497.555 4.426 50 10 JIGE C[C@@H]1C[C@@H](Br)CN1S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 385267726 RTRUSBYFIVLBPV-HTRCEHHLSA-N 451.995 4.302 50 10 JIGE C[C@H]1C[C@@H](CBr)CN(C(=O)c2cc(Cl)ccc2I)C1 398796032 LFISWNITIQBSBZ-UWVGGRQHSA-N 456.549 4.438 50 10 JIGE CCCOc1ccc(C=NNC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)cc1 1084172018 CMHATSUOTTUQEJ-UHFFFAOYSA-N 479.602 4.438 50 10 JIGE O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)NN=Cc1ccc(Br)cc1 1084298867 CUQOKVDHOYMXFQ-UHFFFAOYSA-N 493.390 4.334 50 10 JIGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 1673232507 JYJITCODGBSXHE-MHECFPHRSA-N 456.502 4.165 50 10 JIGE CN(CC1CC(Br)C1)[C@@H](CN)c1cc(Br)ccc1Br 1887892989 LQYDFNONLOHSHJ-IUVQJJGASA-N 455.032 4.317 50 10 JIGE CC1(C)CN(C(=O)c2cc(Br)ccc2I)C[C@H]1CCl 1914531463 LTFKBLRJSZTLRW-SECBINFHSA-N 456.549 4.391 50 10 JIGE C=CC[C@H](CBr)NC(=O)c1ccc(I)c(Br)c1 2019481903 VHFYHVLTFIGBQP-SECBINFHSA-N 472.946 4.123 50 10 JIGE CCN(C[C@](C)(CI)OCC(C)(C)CN(C)C)C(=O)OC(C)(C)C 2021407918 SYNDWIXBNMGXCP-SFHVURJKSA-N 456.409 4.042 50 10 JIGE CCN1CC[C@@H]([C@H](Br)c2scc(Br)c2Br)S1(=O)=O 2029068654 OLPVRMOQZLUYIW-CBAPKCEASA-N 482.057 4.133 50 10 JIGE O=C(CCl)c1c(I)cc(I)cc1OC(F)(F)F 2060036309 DRZPMPUDAXNEFC-UHFFFAOYSA-N 490.384 4.216 50 10 JIGE CCN(C[C@@](C)(CI)O[C@H]1C[C@H](n2cccn2)C1)C(=O)OC(C)(C)C 2063775896 MSFHZQOWLWXDOH-IIDMSEBBSA-N 463.360 4.054 50 10 JIGE O=C(NC[C@@H](CBr)C(F)(F)F)c1cc(Cl)ccc1I 2105272504 XZFOWKNRJKRVRX-ZCFIWIBFSA-N 470.454 4.248 50 10 JIGE CN(CCCCCCNC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(CBr)cc1 2163058750 NOEXNTIWMUSLDI-UHFFFAOYSA-N 463.438 4.287 50 10 JIGE C[C@@]12CN(c3ncc(C(F)(F)F)cc3I)C[C@@]1(CBr)C2 2165480051 DPCZQJRXVQDUJG-NEPJUHHUSA-N 461.063 4.316 50 10 JIGE CN(C(=O)Cc1ccccc1I)[C@@H]1CCCCC[C@H]1Br 2172538951 HKGIKXAEHZTCMS-UKRRQHHQSA-N 450.158 4.388 50 10 JIGE Cc1oc(C)c(S(=O)(=O)N2C[C@H](C)N(Cc3ccccc3)C[C@H]2C)c1CBr 2179789925 XLQMCDKVYXSTTP-LSDHHAIUSA-N 455.418 4.075 50 10 JIGE O=C(c1cc(I)ccc1F)N1C[C@H](Br)CC12CCCC2 2241039602 MFWNOOMUUTWTKH-SNVBAGLBSA-N 452.105 4.353 50 10 JIGE CC(C)(C)OC(=O)NC[C@H]1CN(CCCCI)C[C@@H]1c1ccccc1 2256398277 IBYMJOQNRXQBAJ-ZWKOTPCHSA-N 458.384 4.442 50 10 JIGE CCN(C[C@@](C)(CI)OC1(C2CCCC2)COC1)C(=O)OC(C)(C)C 2260142760 QDXRDAQLWCOQPN-GOSISDBHSA-N 467.388 4.413 50 10 JIGE Cc1ccc(Br)c(C(=O)N[C@@H](CCBr)COCc2ccccc2)n1 2303546492 DWLTYOUGAUWLHF-HNNXBMFYSA-N 456.178 4.253 50 10 JIGE O=S(=O)(N[C@H](CCBr)COCc1ccccc1)c1cccc(Br)c1 2303589906 OYJCIJHBCIJMCC-MRXNPFEDSA-N 477.218 4.098 50 10 JIGE COC(=O)c1ccccc1-n1c(C)cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c1C 2313568396 VPUSXXUGHAXLLH-UHFFFAOYSA-N 468.557 4.137 50 10 JIGE COc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 2314741205 VXAXDUPTOVKYML-UHFFFAOYSA-N 481.848 4.292 50 10 JIGE N#CC(=Cc1cccc(Br)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 2329697938 XCYGAMPLYRYSNH-UHFFFAOYSA-N 483.347 4.191 50 10 JIGE CC(C)[C@@H]1C[C@](NCCSSCCNC(=O)OC(C)(C)C)(C(=O)O)CN1Cc1ccccc1 2349637766 BQJZXGSFLPOATF-GBXCKJPGSA-N 497.727 4.236 50 10 JIGE Cn1nc(Br)c(Br)c1C(=O)N[C@H](CBr)C1CCCCC1 2364015151 MWISQCGUPDTTRE-SECBINFHSA-N 472.019 4.019 50 10 JIGE Clc1ccc(CN2CCO[C@@H]3C[C@@H](CBr)C[C@H]32)c(I)c1 2366714466 IYBZVKAANPMKIK-COLVAYQJSA-N 470.576 4.319 50 10 JIGE Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Br)c1 14644320 ZQQTUQDISHFCCC-AWEZNQCLSA-N 496.789 4.053 50 10 JIGE Cc1cc(Br)c(NC(=O)COc2ccc(C=NNC(=O)c3cccnc3)cc2)cc1C 16267937 VSXJAHFMUNLFLU-UHFFFAOYSA-N 481.350 4.242 50 10 JIGE C=CCn1c(CCc2ccccc2)nnc1SCC(=O)N/N=C/c1ccc(N(CC)CC)cc1O 58991814 NSDXCWBSNKPILT-OVVQPSECSA-N 492.649 4.044 50 10 JIGE C=CCc1cc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2)cc(OC)c1OCC(=O)O 59679134 LDRZVMNBADNAAG-LQKURTRISA-N 474.513 4.083 50 10 JIGE CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c(OC)c2)C1=O 101332424 MVJOMADFPDTSDQ-FYJGNVAPSA-N 468.513 4.169 50 10 JIGE O=C(NC[C@H]1CCC[C@H]1CBr)c1ccc(I)c(Cl)c1 232349438 FCNDZCCCCPPMDK-WDEREUQCSA-N 456.549 4.486 50 10 JIGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc(Cl)cc3)cc2OC)cc1 252642903 ZQTCEQFBIOOLQQ-UHFFFAOYSA-N 468.893 4.106 50 10 JIGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2cc(SC)sc2OC)cc1 254315819 CZDURYBEVSYPGB-SPUIFBAYSA-N 481.599 4.408 50 10 JIGE C[C@H]1C[C@H](Br)CN1S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 385267745 RTRUSBYFIVLBPV-XPUUQOCRSA-N 451.995 4.302 50 10 JIGE CC(=O)c1ccccc1NC(=O)[C@@H](C)OC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1 729344494 IDTLRFDXCGDPEK-CBAAQYGVSA-N 481.512 4.144 50 10 JIGE CCCN1C(=O)C(=NNC(=O)CCCOc2ccc(Cl)cc2Cl)c2cc(OC)ccc21 1772720137 DAHBXXZBTYRTIU-UHFFFAOYSA-N 464.349 4.438 50 10 JIGE CCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1cc(Cl)c(O)c(OC)c1)C(C#N)=C(N)O2 1865706745 DSFXCVGXTQSDRS-HXUWFJFHSA-N 450.926 4.388 50 10 JIGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2Cl)cc(OC)c1O 1865714868 RZZZLLGMOURIQG-INIZCTEOSA-N 492.841 4.485 50 10 JIGE CN(C[C@H]1C[C@@H]1Br)C(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 1890631710 WXYRRSOJQHWGPX-VFNWGFHPSA-N 469.379 4.300 50 10 JIGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N(Cc1ccccc1)[C@H](CCl)C1CC1 1915152370 LESDNQUBSBMLMZ-JOCHJYFZSA-N 489.037 4.158 50 10 JIGE C[C@@H](CCCCCI)NS(=O)(=O)c1sccc1Br 2054171390 SIMCQDIKPSDKDV-VIFPVBQESA-N 466.204 4.173 50 10 JIGE O=S1(=O)CCC[C@H]([C@H](Br)c2ccc(Br)cc2Br)C1 2083319337 YALPKRYXPCGNPD-UFBFGSQYSA-N 461.013 4.472 50 10 JIGE O=C(N[C@H](CCBr)C1CC1)c1ccc(Br)cc1I 2086145148 JGSMFYRFZAFDRA-GFCCVEGCSA-N 486.973 4.347 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CC[C@H](Br)[C@H]1C1CC1 2130627750 OESCYMWMSDPEMI-GXFFZTMASA-N 498.984 4.442 50 10 JIGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CC[C@@H]2C[C@@H](Br)CC[C@H]21 2143978254 XROIWHFGNGCSBV-KHQFGBGNSA-N 463.644 4.491 50 10 JIGE CC[C@@]1(CBr)COCCN1C(=O)c1c(Br)cccc1Br 2169028899 NNKZFAZYKCXYLT-CQSZACIVSA-N 469.999 4.228 50 10 JIGE O=C(c1cc(I)sn1)N1CCC[C@]2(CBr)CCCC[C@@H]12 2176540575 VWAARLVKNVPHFX-RISCZKNCSA-N 469.186 4.308 50 10 JIGE C[C@H]1CN(Cc2ccccc2)C[C@H](C)N(S(=O)(=O)c2cccc(CBr)c2)C1 2179821473 KZFCFZSYWIYSMP-ROUUACIJSA-N 451.430 4.113 50 10 JIGE C[C@@H]1[C@H](O[C@H](CI)c2ccc(Br)cc2)C2CCN1CC2 2198012570 QEZLOIKOQUIPRD-LYRGGWFBSA-N 450.158 4.425 50 10 JIGE C=CC[C@](C)(CBr)CNS(=O)(=O)c1cc(Br)ccc1Br 2202046744 FWNFFHSJTBONKU-CYBMUJFWSA-N 490.055 4.467 50 10 JIGE O=C(N[C@H]1C[C@H]2CC[C@H]1[C@H](Br)C2)c1ccc(F)cc1I 2204563112 LYTPCNRHCQSFKD-GTUGTTAGSA-N 452.105 4.112 50 10 JIGE CC(C)(C)OC(=O)N[C@@H](Cc1cccc(Br)c1)C(=O)NCC1CC(Br)C1 2229114172 NOINKRBDRQAPAX-BCLQGDPASA-N 490.236 4.175 50 10 JIGE CC[C@@H](C)[C@@H](CI)NC(=O)c1c(F)cccc1I 2255924952 BAQXSKMCYOPKGJ-LDYMZIIASA-N 475.083 4.010 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1CCC(F)(F)[C@@H](CBr)C1 2283662663 KAKPKZNYZDVFFI-VIFPVBQESA-N 478.502 4.437 50 10 JIGE COC(=O)c1ccc(C(=O)OC)c(NC=C(C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)c1 2295934387 OWFFTNFPXDZACI-UHFFFAOYSA-N 487.493 4.466 50 10 JIGE N#CC(=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 2314489872 WBFZBQVVBSVPRE-UHFFFAOYSA-N 462.487 4.440 50 10 JIGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 2314634139 QSDSADZOWZACME-RUZDIDTESA-N 469.453 4.440 50 10 JIGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)CCc1ccc(C(C)C)cc1 2314796110 ZTOVVFFMLXWVGS-UHFFFAOYSA-N 462.546 4.123 50 10 JIGE COC(=O)c1c(NC(=O)CNC(=O)c2ccc(Cl)cc2Cl)sc(C(C)=CC#N)c1C 2331557676 YTXQODXLFHNJHM-UHFFFAOYSA-N 466.346 4.445 50 10 JIGE C[C@H]1CCc2c(sc(NC(=O)/C(C#N)=C\c3cccn3-c3ccc([N+](=O)[O-])cc3)c2C(N)=O)C1 4468156 GMTHXROMKQUXNN-UZFBZYOGSA-N 475.530 4.216 50 10 JIGE O=C(CS(=O)(=O)c1ccc(Cl)cc1)NNc1nc2c(Cl)ccc(Cl)c2s1 10045968 WSGKDEGEVYXIKG-UHFFFAOYSA-N 450.756 4.174 50 10 JIGE CCOc1ccc(/C=C/C(=O)NC(=S)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 13621146 KDFCUBZQRQCPOQ-KPKJPENVSA-N 496.416 4.286 50 10 JIGE CCCOc1ccc(Br)cc1C(=O)NNC(=O)CCC(=O)Nc1ccccc1Cl 14652718 PQZOGNUCAPLANQ-UHFFFAOYSA-N 482.762 4.071 50 10 JIGE C[C@@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc([N+](=O)[O-])cc1 38654792 IHPVFOWFMWPYJD-FATZIPQQSA-N 475.432 4.325 50 10 JIGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(F)cc4)ccc32)cc1OC 38659486 PQLWQPQQCHYCSQ-SANMLTNESA-N 490.487 4.436 50 10 JIGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(F)cc4)ccc32)cc1 38685681 DXRVOBHCCXMMFV-VWLOTQADSA-N 460.461 4.427 50 10 JIGE O=C(Cc1ccc([N+](=O)[O-])cc1)NNc1ncnc(Nc2ccc(Cl)c(Cl)c2)c1[N+](=O)[O-] 40591548 QTFWVHINFKNUCB-UHFFFAOYSA-N 478.252 4.029 50 10 JIGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccc(C(=O)C(=O)c3ccccc3)cc2)c(OC)c1 40853095 HMMSCYJNWABAGK-PXLXIMEGSA-N 483.476 4.450 50 10 JIGE O=C(NNC(=O)c1c[nH]c(=S)n1-c1ccccc1)c1cn(-c2ccccc2)nc1-c1ccccc1 45573804 RANBAIZHHFCBRU-UHFFFAOYSA-N 480.553 4.462 50 10 JIGE O=C(CSc1nc2ccccc2[nH]1)N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21 59181393 NRRGQNNIRNOZPK-IADYIPOJSA-N 475.961 4.376 50 10 JIGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 101339762 ZFFHZLOSLPXNTI-RGVLZGJSSA-N 483.436 4.376 50 10 JIGE Cc1ccccc1OCCCN1C(=O)C(=NNC(=O)COc2ccccc2C)c2ccccc21 245285588 XVHIYQGWVAWLTL-UHFFFAOYSA-N 457.530 4.018 50 10 JIGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)NN=Cc1cccc(OC)c1 252616639 KCLOEGBAPIPTSB-UHFFFAOYSA-N 486.601 4.480 50 10 JIGE CC(=NNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1)c1ccc2c(c1)OCCO2 254312793 ROLIXEVMHVFMOX-UHFFFAOYSA-N 485.569 4.338 50 10 JIGE CC(=NNC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1)c1ccc(F)cc1 254619441 OHQKBPRLZJRODP-UHFFFAOYSA-N 453.539 4.178 50 10 JIGE O=C(O)c1ccc(COc2ccc(C=NNC(=O)C(O)(c3ccccc3)c3ccccc3)cc2)cc1 254758389 FZSOUJGGGNBKTP-UHFFFAOYSA-N 480.520 4.350 50 10 JIGE C[C@@H](Br)c1cn(-c2cc(I)ccc2Br)nn1 300913050 SOXMILDJMXEMHD-ZCFIWIBFSA-N 456.907 4.090 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CCC[C@H](Br)C1 721591019 BNWNFXWTGQZUPV-VIFPVBQESA-N 472.946 4.053 50 10 JIGE COc1cccc([C@H](C)N2CCN(C(=O)/C(C#N)=C/c3cn(CCC#N)nc3-c3ccccc3)CC2)c1 728890705 CCWNNAYKUMPREQ-BOJFNEGLSA-N 494.599 4.285 50 10 JIGE C=CCOC[C@@H](NC(=O)/C(C#N)=C\c1cc(C)n(-c2cccc3ccccc23)c1C)C(=O)OC 1467514753 AGIMBIZHDKJPBM-DLBLZJNESA-N 457.530 4.015 50 10 JIGE Cc1cccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2ccc([N+](=O)[O-])cc2)CCC3)c1 1772748017 XIDXVJTXAXDMNE-UHFFFAOYSA-N 460.490 4.456 50 10 JIGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C#N)=C(N)O2 1865680800 WEIMPSZKNSNCPL-IBGZPJMESA-N 457.317 4.430 50 10 JIGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccn2)cc1OCC 1865689307 PEXKVVAYOMALCI-SFHVURJKSA-N 471.439 4.302 50 10 JIGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cc(C)ccc2C)cc(OC)c1OC 1865693161 SCJXAFQTCXNFMJ-QHCPKHFHSA-N 460.534 4.101 50 10 JIGE CCCc1nn(CC)c2c1[C@@H](c1ccc(OCC(=O)N(CCC)CCC)c(OC)c1)C(C#N)=C(N)O2 1865708728 DXEPIZPGEBRYMR-DEOSSOPVSA-N 495.624 4.110 50 10 JIGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccc(C(=O)O)cc2)cc1 1865709693 ZQVXFXLKCNCSTH-JOCHJYFZSA-N 464.481 4.464 50 10 JIGE CCCCCOc1ccc(/C=N/NC(=O)COc2ccc3c(C)cc(=O)oc3c2)cc1OC 1873793087 VVZBVBXVWMDOAR-CVKSISIWSA-N 452.507 4.208 50 10 JIGE Cc1cc(C(=O)NCCSSCCNC(=O)OC(C)(C)C)ccc1I 2086039633 NRPWZWZDRRTZPP-UHFFFAOYSA-N 496.436 4.236 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CC[C@@H]2[C@H](CCl)[C@@H]2C1 2093139765 GTWVVUMJUGXODO-ADEWGFFLSA-N 454.533 4.001 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CC[C@@H]2[C@H](CCl)[C@H]2C1 2142278526 DTKZMKFAYZRUPQ-USWWRNFRSA-N 454.533 4.001 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@H]2C[C@H](Br)C[C@H]2C1 2142278637 GCJZUUZTTAWQSF-JZYVYDRUSA-N 498.984 4.299 50 10 JIGE CCN1CCC[C@@H]([C@@H](Br)c2c(Br)cccc2Br)S1(=O)=O 2150503379 LOYYSPSYSDVRGU-WCQYABFASA-N 490.055 4.462 50 10 JIGE O=S(=O)(c1csc(CBr)c1)N1CCC[C@@H]1[C@@H]1CCN(Cc2ccccc2)C1 2179823033 DKQGZEAWDNLFJJ-YLJYHZDGSA-N 469.470 4.318 50 10 JIGE O=C(N[C@H]1COC2(CCC2)[C@H]1Br)c1c(Br)cccc1Br 2206473020 UTFHBDNKBXKGFO-JQWIXIFHSA-N 467.983 4.026 50 10 JIGE ClCCc1nc2cncc(Br)c2n1C[C@@H]1CC1(Br)Br 2224800136 DRHKDYPREZEPNU-ZETCQYMHSA-N 472.406 4.481 50 10 JIGE CC(C)(C)OC(=O)N1CCN(CCCCI)C[C@@H]1CC(F)(F)F 2243589993 XQUJUVXIXTZUKD-LBPRGKRZSA-N 450.283 4.075 50 10 JIGE Brc1cc(Br)cc(C[C@H](Br)[C@@H]2CO[C@H]3COC[C@@H]23)c1 2277967220 ZBEGKYLGWCRDEZ-RFGFWPKPSA-N 454.984 4.179 50 10 JIGE Cc1cc(S(=O)(=O)N[C@H](CCCl)COCc2ccccc2)sc1Br 2303768462 JIFQJYIGVKJKMD-CQSZACIVSA-N 452.823 4.312 50 10 JIGE CCN(C[C@](C)(CI)OC[C@@H]1O[C@H]2CC[C@H]1C2)C(=O)OC(C)(C)C 2307488060 NWEREYURPILLLK-XSWJXKHESA-N 453.361 4.021 50 10 JIGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1ccccc1C 2314737254 USGACXFWFQAOJH-UHFFFAOYSA-N 456.498 4.211 50 10 JIGE COc1ccc([C@H](C)NC(=O)C(C#N)=CNc2ccc(I)cc2C)cc1OC 2325045128 BLRKOTAUMXRFLD-AWEZNQCLSA-N 491.329 4.314 50 10 JIGE CCCCOC(=O)c1ccccc1NC=C(C#N)C(=O)N[C@@H](C)c1ccc(OC)c(OC)c1 2325045214 SBISWKCXBSQHHM-KRWDZBQOSA-N 451.523 4.357 50 10 JIGE O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)NN=Cc1ccc(C(F)(F)F)cc1 2325903819 QVVPAYLUJURNKA-UHFFFAOYSA-N 456.449 4.294 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@H]2CC[C@@H](Br)[C@H]2C1 2328659183 XNBLXAPSHSZVNU-OUAUKWLOSA-N 498.984 4.299 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1[C@H]2CC[C@H](C2)[C@H]1CCl 2330984361 OXYNDPOLPYIBDH-DFAYQTQMSA-N 454.533 4.286 50 10 JIGE COCCOc1ccc(C=C(C#N)C(=O)NC[C@H](c2c(F)cccc2Cl)N2CCCC2)cc1 2331122133 PPNXDWHYVVUCLM-HSZRJFAPSA-N 471.960 4.365 50 10 JIGE CCOC(=O)c1c(C)nn(-c2cccc(F)c2)c1NC(=O)C(C#N)=Cc1ccc(OCCOC)cc1 2331123829 BRFYYHRHCSPMSW-UHFFFAOYSA-N 492.507 4.067 50 10 JIGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc32)cc1 38685975 SFUJYUQOBYKHCL-HSZRJFAPSA-N 457.442 4.431 50 10 JIGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)cc1 38687365 HGKIJSPMISVDEO-XMMPIXPASA-N 466.449 4.239 50 10 JIGE CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)cc1 38700686 YHDKGSIWOHWWHW-RPWUZVMVSA-N 472.522 4.372 50 10 JIGE O=C(NNc1ncnc(Oc2ccc(Br)cc2)c1[N+](=O)[O-])c1cccc(Cl)c1 40658638 IWUKAWJHUQTDAJ-UHFFFAOYSA-N 464.663 4.350 50 10 JIGE COc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc([N+](=O)[O-])c2)CCC3)c(OC)c1 40813034 VJGGKPARPQPCIX-ZXVVBBHZSA-N 492.488 4.236 50 10 JIGE CCOc1c(Br)cc(/C=N/NC(=O)COc2cccc(Br)c2)cc1OC 40911830 YRGXXCBIQAEKMS-UFFVCSGVSA-N 486.160 4.148 50 10 JIGE COc1cc(/C=N/NC(=O)CC[C@H](O)c2ccccc2)c([N+](=O)[O-])cc1OCc1ccccc1 58887321 LKMXRGWPZAHTFC-SYOQMXFQSA-N 463.490 4.146 50 10 JIGE COc1cc([N+](=O)[O-])ccc1-n1nc(C)c(/C=N/NC(=O)c2ccc3ccccc3c2OC)c1C 59147875 GWTTXMNMXAMTEA-VULFUBBASA-N 473.489 4.332 50 10 JIGE Cc1c(/C=N\NC(=O)c2ccc(Nc3nc4ccccc4c(=O)[nH]3)cc2)c2ccccc2n1C 169927955 SENQUOKYOBEFIC-DICXZTSXSA-N 450.502 4.231 50 10 JIGE COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OC(=O)c1ccc(C)c([N+](=O)[O-])c1 206394522 GMFLHWRPBXLKPF-MTJSOVHGSA-N 471.469 4.354 50 10 JIGE N#C/C(=C/Nc1ccc(Cl)cn1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216510949 KECZNNLKONYTJH-PYCFMQQDSA-N 457.965 4.488 50 10 JIGE C[C@@H](NC(=O)c1cc(I)ccc1Br)C1(CBr)CC1 696077901 YZUWKWNREVBOMB-MRVPVSSYSA-N 486.973 4.347 50 10 JIGE O=C(NC[C@@]1(CBr)CCCOC1)c1cc(Br)cc(Br)c1 700910007 ABZDHNQSUHFPNP-AWEZNQCLSA-N 469.999 4.133 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1C[C@H]2C[C@H](Br)C[C@H]1C2 709821245 DNYRVEMOUZUBTQ-ATZCPNFKSA-N 454.533 4.333 50 10 JIGE Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CS(C)(=O)=O)c(C)n1-c1ccc(F)cc1 746807091 CXKNNTMEKXENTO-DEDYPNTBSA-N 451.523 4.324 50 10 JIGE Nc1nnc(SCCCC(=O)NN=Cc2ccccc2OCc2ccccc2Cl)s1 1083880297 UNOFQLQWYIVZCB-UHFFFAOYSA-N 462.000 4.375 50 10 JIGE Cc1ccc(NC(=O)CN2C(=O)C(=NNC(=O)COc3cc(C)ccc3C(C)C)c3ccccc32)cc1 1083985455 QOJVRSMKQHUPDS-UHFFFAOYSA-N 498.583 4.311 50 10 JIGE CCOC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1Cl 1084186168 MJAPNCBEMAGJGZ-LDADJPATSA-N 488.371 4.191 50 10 JIGE COc1cc(C=NNC(=O)CN2CCCCC2)cc(Br)c1OCc1ccc(C)cc1 1084447043 DYXUUVXILDHBDH-UHFFFAOYSA-N 474.399 4.281 50 10 JIGE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 1139374534 HDHQEOSEDARPHW-ATIYNZHBSA-N 451.683 4.051 50 10 JIGE CC(C)(C)OC(=O)N1CCCC[C@@H]1CCNS(=O)(=O)c1ccc(CBr)cc1 1260511727 LTGCSHQAAAJSBI-MRXNPFEDSA-N 461.422 4.040 50 10 JIGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2)ccc1O 1865681564 QNQYLBVOXMICBZ-GOSISDBHSA-N 456.424 4.273 50 10 JIGE CC(C)(C)OC(=O)N[C@H](CC(=O)OCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1866007397 NITUAUJYKJYGNW-LJQANCHMSA-N 455.536 4.225 50 10 JIGE C[C@H]1CN(Cc2ccccc2)CCN1S(=O)(=O)c1ccc(CBr)cc1Cl 1885131228 SJKLYTRSKIFZDL-HNNXBMFYSA-N 457.821 4.130 50 10 JIGE C[C@@]1(CBr)CCN(c2ncc(I)cc2Br)C1 1988530221 CCBMGELMGJVUFR-NSHDSACASA-N 459.951 4.060 50 10 JIGE C[C@@H]1CCN(c2ncc(I)cc2Br)[C@H]1CBr 1988540182 VWEKYXYDMUWXLC-XCBNKYQSSA-N 459.951 4.058 50 10 JIGE FC1(F)C[C@H](CBr)N(c2ncc(I)cc2Br)C1 2015764847 FVSNKJFXKBLEKG-SSDOTTSWSA-N 481.904 4.058 50 10 JIGE BrC[C@]12CC[C@@H]1CN(c1ncc(I)cc1Br)C2 2021635884 SJEXWRXWXUKEAJ-PELKAZGASA-N 471.962 4.060 50 10 JIGE O=C(N[C@H](CBr)CC1CC1)c1cc(Br)ccc1I 2029977326 LCSXMGUOXMAZFM-JTQLQIEISA-N 486.973 4.347 50 10 JIGE CCN(CCCOCc1ccccc1)S(=O)(=O)c1cc(CCl)oc1Br 2035641483 BXXCXYHROWEQNO-UHFFFAOYSA-N 450.782 4.398 50 10 JIGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2cccc(CCl)c2)C1 2084717725 QGOGOEXYZKPHNC-QFIPXVFZSA-N 458.002 4.277 50 10 JIGE O=C(c1c(Br)cccc1Br)N1CC[C@@H]2[C@H](CBr)[C@@H]2C1 2094100831 WJDVPLBVTJFAOE-KXUCPTDWSA-N 451.984 4.315 50 10 JIGE CC(C)[C@H]1CN(S(=O)(=O)c2cc(CBr)cs2)CCN1Cc1ccccc1 2123226038 WZXPQYKFIIGASQ-GOSISDBHSA-N 457.459 4.174 50 10 JIGE O=C(NC[C@@H]1CCCC2(CCC2)[C@H]1Br)c1cc(I)sn1 2176539932 SNBHGACPTFKRRE-CABZTGNLSA-N 469.186 4.211 50 10 JIGE C[C@@H]1CN(S(=O)(=O)c2ccccc2CBr)[C@H](C)[C@@H](C)N1Cc1ccccc1 2179824313 TTZWGFWODOTKDO-KZNAEPCWSA-N 451.430 4.254 50 10 JIGE O=S(=O)(c1csc(CBr)c1)N1CCN(Cc2ccccc2)C[C@@H]1C(F)(F)F 2186715270 MMASAXDWFXFEBO-MRXNPFEDSA-N 483.375 4.080 50 10 JIGE CC(C)(C)OC(=O)N1CCC(CI)(O[C@@H]2CC[C@H]3[C@@H]2C3(F)F)CC1 2216650559 IHZWZLLZTRZNOV-XQQFMLRXSA-N 457.299 4.251 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCNC1C[C@H]2CSC[C@@H](C1)N2C(=O)OC(C)(C)C 2249334369 BJZQDIIDAVWXJS-ALOPSCKCSA-N 493.761 4.366 50 10 JIGE O=C(NC[C@H]1CC[C@@H](CBr)CO1)c1ccc(Br)cc1Br 2279404430 CLLPDOBZUQJZKX-GXSJLCMTSA-N 469.999 4.132 50 10 JIGE CC1(C)OCCN(C(=O)c2c(Br)cccc2Br)[C@H]1CBr 2282895488 YKRSPYNSEGATAL-NSHDSACASA-N 469.999 4.226 50 10 JIGE Cc1c(Br)ccc(N2C(=O)NC(=O)C(=Cc3ccc(N(C)CCCl)cc3)C2=O)c1C 2313547882 FOEZPFVHZOVSJC-UHFFFAOYSA-N 490.785 4.407 50 10 JIGE COc1ccc(N2C(=O)[C@H](Cc3ccc(C)cc3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314593941 WEZZEHZWNKANTJ-QHCPKHFHSA-N 473.554 4.339 50 10 JIGE O=C(N[C@H]1C[C@@H](CBr)[C@@H]2C[C@H]12)c1ccc(I)c(Cl)c1 2329878547 SADAHLHMOOTJBN-YVNDNENWSA-N 454.533 4.094 50 10 JIGE Clc1ccc(CN2CCC[C@@H](OCCBr)C2)c(I)c1 2341010258 NOVZUTMIQONIAT-CYBMUJFWSA-N 458.565 4.321 50 10 JIGE CN(C[C@@H]1C[C@@H]1Br)[C@@](C)(C(=O)O)c1cc(Br)c(Br)s1 2347535225 NIHAWXLJGLOYNI-DJOAAKCGSA-N 476.028 4.288 50 10 JIGE COc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccc(Br)cc1 2901895 FXHNZXLZXCFHHZ-ZMOGYAJESA-N 498.289 4.349 50 10 JIGE Cc1cc(OCC(=O)NNC(=O)c2sc3ccccc3c2Cl)ccc1Br 12485231 HERJWWNYHHBNFA-UHFFFAOYSA-N 453.745 4.466 50 10 JIGE Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2ccccc2O)cc1 20075295 LUVVVPAUQZINSJ-WGOQTCKBSA-N 460.511 4.385 50 10 JIGE C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)N/N=C/c1c(O)ccc2ccccc12 20806589 AJZIFVZFPSCNLU-RWPZCVJISA-N 486.601 4.486 50 10 JIGE O=C(N/N=C/c1cc(Br)ccc1O)c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1 27520069 LTXXBZFXFKYLLC-FSJBWODESA-N 483.278 4.079 50 10 JIGE COc1cc(/C=C(/C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)ccc1OCCC(C)C 33330265 LWSDWXVXVPWESV-QNGOZBTKSA-N 474.561 4.464 50 10 JIGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(=O)OC)cc2)cc1 38683635 OUCJNZOBVWYNTI-AREMUKBSSA-N 484.508 4.238 50 10 JIGE Cc1ccc(OCC(=O)N/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)c(C(C)(C)C)c1 40840976 ZPDZEVZUCZGQHT-LSHDLFTRSA-N 464.316 4.198 50 10 JIGE CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCC(=O)O 59304084 YHOJQJUTOTZPMM-NUGSKGIGSA-N 495.713 4.475 50 10 JIGE CCOC(=O)[C@@H]1C[C@H](I)[C@@H](OCc2ccccc2Br)C1 231319635 ZPAXCFWLKXBFJA-XBFCOCLRSA-N 453.114 4.111 50 10 JIGE CCOc1cccc(C=NNC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2C)c1O 254772685 CUYKGTSGMOAGHY-UHFFFAOYSA-N 488.569 4.041 50 10 JIGE CCn1c(SCC(=O)NN=Cc2cnc3ccccc3n2)nnc1[C@H]1C[C@@H]1c1ccc(Cl)cc1 254876507 OWSSRPBNNBBRME-MOPGFXCFSA-N 492.008 4.408 50 10 JIGE CC(C)(CNC(=O)c1ccc(Br)cc1Br)OCCBr 311533660 RQPTYPFNGALHSV-UHFFFAOYSA-N 457.988 4.132 50 10 JIGE O=C(CBr)c1cc(I)c(Br)cc1OC(F)F 575682639 WTVYACYPFKZBKW-UHFFFAOYSA-N 469.845 4.233 50 10 JIGE C[C@H]1CN(C(=O)c2cc(I)ccc2Br)C[C@@H]1CBr 709085052 GNFLDHIJXUNNDO-IUCAKERBSA-N 486.973 4.157 50 10 JIGE CN(C)c1cccc(C(=O)NNC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C4CC4)c23)c1 727705551 UPVDMXJTJXROQU-UHFFFAOYSA-N 459.481 4.047 50 10 JIGE C=CCc1cc(C=NNC(=O)CN2CCOCC2)ccc1OCc1ccc(Cl)cc1Cl 1084651067 CRRKHEKNIDLNBW-UHFFFAOYSA-N 462.377 4.083 50 10 JIGE C#CCN(C(=O)NC[C@]1(C)C[C@H]1Br)[C@@H]1CCOc2ccc(Br)cc21 1233587589 ZXZCGDPDBHVSDJ-KYJSFNMBSA-N 456.178 4.091 50 10 JIGE Cc1cccc(C(=O)N[C@H]([C@H](C)Br)C(F)(F)F)c1I 1882653421 VLPAORRTEKIZGY-OIBJUYFYSA-N 450.036 4.044 50 10 JIGE CN(C[C@@H]1C[C@@H]1Br)C(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 1890631708 WXYRRSOJQHWGPX-BTYIYWSLSA-N 469.379 4.300 50 10 JIGE BrC[C@H]1CCCN1Cc1ccc(I)c(Br)c1 1904343010 DDSAXVYCTLTHHO-SNVBAGLBSA-N 458.963 4.413 50 10 JIGE O=C1c2ccccc2C(=O)N1C[C@H](Br)Cc1c(F)ccc(Br)c1F 1905344669 WFIUPYDFMVLZNR-SECBINFHSA-N 459.084 4.330 50 10 JIGE O=C(c1csc(Br)c1Br)N1CCS[C@@H](CBr)C1 1945189213 LUZQHKJGDBHMHF-LURJTMIESA-N 464.042 4.226 50 10 JIGE FC(F)(F)CN(CCBr)c1ncc(I)cc1Br 2015757421 TWHZVVPAWFRSGJ-UHFFFAOYSA-N 487.883 4.212 50 10 JIGE C=CC[C@H](CBr)NC(=O)c1cc(I)ccc1Br 2019474076 DZYZOWMVXWNZDW-SECBINFHSA-N 472.946 4.123 50 10 JIGE O=C(N[C@H](CCBr)C1CC1)c1ccc(I)c(Br)c1 2029969443 CJITWDBGHOSIPH-GFCCVEGCSA-N 486.973 4.347 50 10 JIGE O=C(N[C@@H]1C[C@H](CBr)[C@@H]2C[C@@H]12)c1cc(Br)c(Br)s1 2048003877 BOHHFUZBMIEUGW-JVZYCSMKSA-N 458.013 4.422 50 10 JIGE O=C(CBr)c1c(OC(F)(F)F)ccc(I)c1OC(F)F 2060373029 WKYHCBHFKCJSKP-UHFFFAOYSA-N 474.945 4.369 50 10 JIGE C[C@]1(CBr)CC(F)(F)CN1c1ncc(I)cc1Br 2069535993 OKASCDFKWBINCH-SNVBAGLBSA-N 495.931 4.448 50 10 JIGE CCOc1ncccc1-n1nc(CBr)c(I)c1C(F)(F)F 2078931847 ZQTDHAWTQBPXPT-UHFFFAOYSA-N 476.034 4.184 50 10 JIGE BrC[C@@H]1C[C@H]2OCC[C@@H]2N1Cc1cc(Br)ccc1Br 2118525463 UMYGMTBMPNYYCJ-FPMFFAJLSA-N 454.000 4.338 50 10 JIGE O=C(c1cc(Br)sc1Br)N1CC[C@@]2(C[C@H](Br)CO2)C1 2137134822 VIKIIOJPDRVYDW-JVXZTZIISA-N 474.012 4.042 50 10 JIGE C[C@@]1(CCBr)CCN1S(=O)(=O)c1cc(Br)ccc1Br 2140571591 ANTCAYSOKXDHEC-GFCCVEGCSA-N 476.028 4.150 50 10 JIGE O=C(c1cc(I)ccc1F)N1CC[C@@H]2C[C@@H](Br)CC[C@H]21 2169665311 XNUCIYBSWYZWMC-ISTVAULSSA-N 452.105 4.208 50 10 JIGE CC[C@H](Br)[C@H]1CCCCN1C(=O)Cc1ccccc1I 2170600367 LLQXKIGJPHWFLV-DZGCQCFKSA-N 450.158 4.388 50 10 JIGE Cc1c(F)cc(CBr)cc1S(=O)(=O)N1CCC[C@@H](OCc2ccccc2)C1 2186381555 PWUJQCSKYVUEDC-GOSISDBHSA-N 456.377 4.399 50 10 JIGE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc(CBr)cc2)CC1 2189862150 UEYXGIXRRKNUHI-HZPDHXFCSA-N 461.422 4.086 50 10 JIGE Clc1ccc(I)c(C[C@]23CO[C@](CI)(C2)C3)c1 2216262830 SJJMTOPJYGUXEN-BETUJISGSA-N 474.507 4.471 50 10 JIGE C[C@@H](CCCCCI)NS(=O)(=O)c1ccc(F)c(Br)c1 2240912176 XWNVPRUYSGXSTG-JTQLQIEISA-N 478.165 4.250 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N[C@@H](CCBr)C(F)F 2277929303 UOYICHMQTDJTGJ-JTQLQIEISA-N 463.942 4.289 50 10 JIGE COC(=O)c1ccccc1NC(=O)C(C#N)=Cc1ccc(OC)c(OC(=O)c2ccccc2)c1 2295459786 YEEJSSISKOGNPG-UHFFFAOYSA-N 456.454 4.247 50 10 JIGE CCOc1ccccc1C=NNC(=O)C(=Cc1ccc(N(C)C)cc1)NC(=O)c1ccccc1 2295489506 XEVCEHKSTHINMI-UHFFFAOYSA-N 456.546 4.073 50 10 JIGE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)NCCCOC(C)C)c1C 2296543440 BHSJXTRUQHMPQL-UHFFFAOYSA-N 474.561 4.250 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1CC[C@@H](Br)[C@H]1C1CC1 2340055967 BUZHOLZRTKLILT-DGCLKSJQSA-N 454.533 4.333 50 10 JIGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)cc1 38700435 RDYHIQXYUJEIQB-LOSJGSFVSA-N 454.482 4.213 50 10 JIGE O=C(NNc1ncnc(NC(c2ccccc2)c2ccccc2)c1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 40650607 QNSHPGVZDWMYFH-UHFFFAOYSA-N 485.460 4.251 50 10 JIGE O=C(O)COc1c(Br)cc(/C=N/NC(=O)c2cc3ccccc3o2)cc1Br 59304558 MUFRPOPGCYEBCJ-ODCIPOBUSA-N 496.111 4.185 50 10 JIGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)N/N=C/c1ccccc1[N+](=O)[O-] 59884582 DHCNTBIATMHHBE-SQAVSUBZSA-N 499.984 4.269 50 10 JIGE Cc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)NNC(=O)c4ccccc4Cl)c(C)c32)cc1 101592545 YXLYAZNCARRKJN-ZXVVBBHZSA-N 478.936 4.095 50 10 JIGE CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)cc1OC 206244670 FOAZNLGRRLMMCA-PDGQHHTCSA-N 496.545 4.045 50 10 JIGE CC(C)(C)OC(=O)N1C[C@@H](I)[C@H](OCc2cccc(Br)c2)C1 231319516 WVGYUCQLTOVTRD-ZIAGYGMSSA-N 482.156 4.389 50 10 JIGE O=S(=O)(NC[C@H]1CCCCN(Cc2ccccc2)C1)c1ccc(CBr)cc1 312715471 QTHCXXUFAICLTL-HXUWFJFHSA-N 451.430 4.162 50 10 JIGE C[C@@H]1[C@@H](CBr)CCN1C(=O)c1cc(Br)ccc1I 385771287 GSKBSBJFPUUTDD-RKDXNWHRSA-N 486.973 4.299 50 10 JIGE CN(C[C@H]1CCC[C@H]1Br)S(=O)(=O)c1cc(Br)ccc1Br 689295421 LJDKHBRZSCHUGM-MWLCHTKSSA-N 490.055 4.396 50 10 JIGE CCOc1ccc(N(CC(=O)NN=Cc2cccc(C)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1083907580 OOXOZDGRMDGLPT-UHFFFAOYSA-N 485.993 4.393 50 10 JIGE Cc1nc2ccccn2c1C(=O)NN=Cc1cc(Br)ccc1OC(=O)/C=C\c1ccco1 1084157507 FKDZSTHYXWESNV-LBLZKMEUSA-N 493.317 4.381 50 10 JIGE Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c1C 1084333613 BULKLMGOUNCGOL-JJIBRWJFSA-N 468.557 4.357 50 10 JIGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1 1084534739 JROSNYSUVLGBPI-QHCPKHFHSA-N 463.534 4.185 50 10 JIGE C#CCCN1CCN(C(=O)/C(C#N)=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)CC1 1584027580 APDWLTBGHJBOCT-XSFVSMFZSA-N 455.389 4.475 50 10 JIGE C=CC[C@]1(C(=O)NNc2cc(OC)ccc2Br)CCCN1C(=O)OC(C)(C)C 1638167803 JOYUJNISRUGONW-HXUWFJFHSA-N 454.365 4.247 50 10 JIGE COC(=O)c1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1cccc([N+](=O)[O-])c1)CCC2 1772746478 VXDJZYKZWRQOAZ-UHFFFAOYSA-N 490.472 4.006 50 10 JIGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1cc(OC)c(O)c(OC)c1)C(C#N)=C(N)O2 1865714820 QWJZKMRBCWPXIZ-FQEVSTJZSA-N 466.925 4.419 50 10 JIGE COC(=O)c1c(NC(=O)[C@@H](CC(C)C)N2C(=O)c3ccccc3C2=O)sc(/C(C)=C/C#N)c1C 1873427294 KYABVIHGZVBAAL-PMXLPMHFSA-N 479.558 4.419 50 10 JIGE CN(C[C@H]1C[C@@H](Br)C1)[C@H](CN)c1cc(Br)ccc1Br 1887885870 LQYDFNONLOHSHJ-OLUVUFQESA-N 455.032 4.317 50 10 JIGE CC1(C)CN(Cc2ccccc2)C[C@H]1CNS(=O)(=O)c1ccc(CBr)cc1 1913122764 NRGHTCOLZLVUMN-LJQANCHMSA-N 451.430 4.018 50 10 JIGE COC(=O)[C@@H](Br)CNc1cc(Br)c(Br)c(Br)c1 1946434726 NITFZVNTPXEYMY-QMMMGPOBSA-N 494.803 4.323 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC[C@@H]2CCCCCO2)C1 1947244928 HDKZDWKTHJJARZ-MAUKXSAKSA-N 453.361 4.167 50 10 JIGE Brc1cc(I)cnc1N1CC[C@@H](Br)C12CCC2 2015763709 CMXCAKZKSUBRKQ-SNVBAGLBSA-N 471.962 4.345 50 10 JIGE CCc1c(I)cc(CBr)cc1I 2060221084 LBZBMFIYFOSKIN-UHFFFAOYSA-N 450.883 4.353 50 10 JIGE CC[C@@H](C)[C@H](Br)CNS(=O)(=O)c1cc(Br)ccc1Br 2090426298 VUXVMQJDGLDLDT-LDYMZIIASA-N 478.044 4.300 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@H](C2CC2)[C@@H](Cl)C1 2090672854 BUFOYVDLLJOPCC-YPMHNXCESA-N 454.533 4.143 50 10 JIGE O=C(N[C@@H]1CC[C@H]2C[C@]21CCl)c1ccc(I)c(Br)c1 2132109953 AXLIBNBVTZNTDC-BHYNMZESSA-N 454.533 4.191 50 10 JIGE O=C(N[C@@H]1CC[C@@H]2C[C@@]21CBr)c1cc(Cl)ccc1I 2132116801 SEQIAIOKYVAORV-IHPUGEDLSA-N 454.533 4.238 50 10 JIGE O=S1(=O)CC[C@@H](CC(CBr)(CBr)c2cccc(Br)c2)C1 2148771520 UKNGZWWWPRWIIO-NSHDSACASA-N 489.067 4.302 50 10 JIGE CN(C[C@@H](Br)COCc1ccccc1)S(=O)(=O)c1ccc(F)c(Br)c1 2224005258 ZZQWAWJQZUNCPL-CQSZACIVSA-N 495.208 4.189 50 10 JIGE C[C@@]1(CCl)C=CCCN1C(=O)c1cc(I)ccc1Br 2264391058 FZEJUVKYKCLBKE-AWEZNQCLSA-N 454.533 4.453 50 10 JIGE C[C@]12CN(C(=O)c3ccc(Cl)c(I)c3)C[C@@]1(CBr)C2 2268355181 PVZMZTTWSHIFBX-KBPBESRZSA-N 454.533 4.192 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1CC[C@H](CBr)C(F)(F)C1 2283656252 XSNDZKYKLXGRCL-SECBINFHSA-N 478.502 4.437 50 10 JIGE C=CCOc1ccc(Br)cc1C=C(C#N)C(=O)Nc1ccc([N+](=O)[O-])cc1OC 2295459728 SDSQDVNCAATJBT-UHFFFAOYSA-N 458.268 4.476 50 10 JIGE COC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(C(C)C)cc2)sc2c1[C@@H](C(=O)OC)CC2 2296004752 SPPUQVRBYLNROD-KRWDZBQOSA-N 452.532 4.407 50 10 JIGE O=C(c1sccc1I)N1Cc2ccccc2C[C@H]1CBr 2296508426 PCDDELSFBSNFCM-LBPRGKRZSA-N 462.150 4.315 50 10 JIGE COc1cc(C=C(C#N)C(=O)Nc2ccc(N3CCOCC3)cc2)ccc1OC(=O)c1cccs1 2297382449 VVQDKPJEUDMREP-UHFFFAOYSA-N 489.553 4.358 50 10 JIGE CCOC(=O)COc1ccc(C=C(C#N)c2nc(O)c3cc(Br)ccc3n2)cc1OC 2314487141 CPXDREKHKHKYMM-UHFFFAOYSA-N 484.306 4.113 50 10 JIGE N#CC(=CNc1cccc([N+](=O)[O-])c1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324599309 SSIWUWXNARUKOK-UHFFFAOYSA-N 467.529 4.348 50 10 JIGE O=C(NC[C@@H]1CCC[C@H]1CBr)c1ccc(Cl)cc1I 2340057037 ZDQHEZHKDUIGBX-UWVGGRQHSA-N 456.549 4.486 50 10 JIGE Cc1ccc(-n2c(SCC(=O)NNC(=O)c3ccc(Cl)cc3)nnc2-c2ccccc2)cc1 11196613 KAQPTNLNANNQIL-UHFFFAOYSA-N 477.977 4.449 50 10 JIGE CCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(OC)c(Br)c1 14652715 XVFJVMMQOSZQQH-UHFFFAOYSA-N 486.160 4.084 50 10 JIGE CCCCCC(=O)NNC(=S)NC(=O)c1cc(Br)ccc1OCCc1ccccc1 14666189 LDIGSEDDGRHYTA-UHFFFAOYSA-N 492.439 4.286 50 10 JIGE CCCCOc1ccccc1/C=N/NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C)cc1 22001337 RIAKKEJFFYJEFY-JJBJMVQMSA-N 493.629 4.214 50 10 JIGE C/C(=N/NC(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1)c1ccc(C)c([N+](=O)[O-])c1 33497122 UXSRFNCQDMJKET-JSLURDOTSA-N 466.538 4.226 50 10 JIGE O=C(NNc1ncnc(N(Cc2ccccc2)Cc2ccccc2)c1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 40607334 WBOMLTVDWHDOGY-UHFFFAOYSA-N 499.487 4.257 50 10 JIGE COc1ccccc1/C=N/NC(=O)CSc1nnc(CCc2ccccc2)n1-c1ccccc1 58990300 BNBNBRMVTPLTFD-OVVQPSECSA-N 471.586 4.304 50 10 JIGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)cc1 101336937 NGDGONFARPAQFF-LPHATQMZSA-N 494.551 4.319 50 10 JIGE COCCOC(=O)c1ccc(NC(=O)[C@@H](Br)[C@H](Br)c2ccccc2)cc1 101648329 IYOFUTXUZDANDI-SJORKVTESA-N 485.172 4.328 50 10 JIGE COc1cc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(N)=O)cc2OC)ccc1OCc1ccccc1 206507668 KSLKFWPFFDNNCM-IZHWMJFTSA-N 484.508 4.294 50 10 JIGE COc1ccc(/C=C\C(=O)Oc2cccc(C=NNC(=O)c3cc(OC)c(OC)c(OC)c3)c2)cc1 252614745 JMRNPQVNQOAORU-KOTRFGRSSA-N 490.512 4.104 50 10 JIGE CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NNc1ccc(F)c(F)c1F 727759528 CBNBDQMXYDHGNZ-AWEZNQCLSA-N 466.312 4.406 50 10 JIGE CC(/C=C\c1ccccc1)=NNC(=O)CCCSc1nnc(-c2ccccc2Br)n1N 1084031591 INVFMMGJOUAMEA-YQHBGGGGSA-N 499.438 4.499 50 10 JIGE COc1cc(C=NNC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1Oc1ccccc1[N+](=O)[O-] 1084216042 SJGIHJOZUVDLJK-UHFFFAOYSA-N 481.461 4.185 50 10 JIGE CCOc1ccccc1N(CC(=O)NN=Cc1c(F)cccc1Cl)S(=O)(=O)c1ccccc1 1084408151 KQLHSJIGCYXKIM-UHFFFAOYSA-N 489.956 4.223 50 10 JIGE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NCCSSC)ccc1Cl 1544567662 NSJMNVHQKFVMNP-UHFFFAOYSA-N 457.042 4.462 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2Cl)[C@H]1c1ccc(O)c(O)c1 1865680684 RZIMJSMJKIQLGP-INIZCTEOSA-N 462.815 4.233 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2c(F)cccc2Cl)[C@H]1c1ccc(O)cc1O 1865681504 PFWZKIZJHZPGCT-INIZCTEOSA-N 480.805 4.372 50 10 JIGE CCN(CC)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccn2)cc1 1865702048 LJSAOSJRIFLNMA-GOSISDBHSA-N 454.456 4.350 50 10 JIGE CS(=O)(=O)c1csc([C@@H](Br)c2csc(I)c2)c1 1944541912 PYNMJJNFGKRDBS-JTQLQIEISA-N 463.181 4.302 50 10 JIGE BrCC[C@@H]1CSCCN1c1ncc(I)cc1Br 2015763309 WXEFRIWYCUKEDU-SECBINFHSA-N 492.018 4.156 50 10 JIGE O=C(c1c(Br)cccc1Br)N1CCSC[C@@H]1CBr 2033086727 PEEQCYHLJLDXSW-QMMMGPOBSA-N 458.013 4.164 50 10 JIGE O=C(CBr)c1cc(OC(F)F)cc(OC(F)(F)F)c1I 2060375841 KLBXUEPXUBEZOL-UHFFFAOYSA-N 474.945 4.369 50 10 JIGE CC[C@@H](C)[C@H](CI)NC(=O)c1ccc(I)c(C)c1 2086031077 WJUFUTSISQDAFQ-RNCFNFMXSA-N 471.120 4.179 50 10 JIGE C[C@H](Cl)[C@@H](NC(=O)c1ccc(Br)cc1I)C(F)(F)F 2142282447 DJINVRNBBQWBFI-SSDLBLMSSA-N 470.454 4.342 50 10 JIGE BrCc1cc(Br)c(OC[C@@H]2OC[C@@H]3CCO[C@@H]32)c(Br)c1 2145934250 KHJOBVQQNPKZOI-XDTLVQLUSA-N 470.983 4.289 50 10 JIGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1C[C@H](F)[C@H](CBr)C1 2177132686 XDPDTVPWTQXVTO-LDWIPMOCSA-N 469.985 4.109 50 10 JIGE CCN(CC)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(F)c(CBr)c1 2179785941 SOYOZLGWBRNTJE-UHFFFAOYSA-N 457.409 4.253 50 10 JIGE O=C(c1cc(Br)ccc1I)N1[C@H]2CC[C@H]1[C@H](F)[C@H](Cl)C2 2190669986 HNMZCTDKZOGYCQ-YPWHJJHSSA-N 472.523 4.376 50 10 JIGE COCCNCc1cc(Br)cc(Br)c1OC[C@@H]1C[C@@H]1Br 2196906757 JDFIZRIZRREQDN-JQWIXIFHSA-N 472.015 4.110 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@@H](F)C[C@H](Br)C1 2219180384 IFNSCHXABGWURX-IUCAKERBSA-N 490.936 4.001 50 10 JIGE Cc1ccc(C(=O)N2CCC(C)(C)[C@@H](CBr)C2)cc1I 2232838266 DESGGGZPLYAXPT-ZDUSSCGKSA-N 450.158 4.483 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N1CCC[C@@H](CBr)C1 2277924125 HFPUXJSQEHVECK-JTQLQIEISA-N 454.000 4.388 50 10 JIGE COc1ccc(C[C@H]2SC(=C(C#N)C(=O)NCc3ccco3)N(c3ccc(C)cc3)C2=O)cc1 2296507211 YMWSXBHMPSWGLP-HSZRJFAPSA-N 473.554 4.339 50 10 JIGE CC1=C(C#N)C(=O)N(C[C@@H](C)O)C(=O)C1=Cc1ccc(-c2ccc(Cl)c(C(=O)OCC(C)C)c2)o1 2297316800 IYKCCTPORPMFMZ-OAHLLOKOSA-N 496.947 4.386 50 10 JIGE Cc1ccc(C=CC(=O)NC(=S)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 2313619227 RLFZEJITTULYSA-UHFFFAOYSA-N 466.390 4.196 50 10 JIGE CCOc1c(Cl)cc(C=NNC(=O)c2cccn(Cc3ccc(C)cc3)c2=O)cc1OC 2323648339 SLFBLISTAGWPKN-UHFFFAOYSA-N 453.926 4.030 50 10 JIGE CC(C)(CI)CN1CC[C@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C1 2326674802 DWENMQOTKDMNKM-STQMWFEESA-N 478.337 4.473 50 10 JIGE O=C(c1ccc(Br)cc1Br)N1C[C@H]2CC[C@H](Br)[C@H]2C1 2328657369 WSCHRVPFGWIDFF-ZHAHWJHGSA-N 451.984 4.457 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1C[C@@H]2CC[C@]2(CBr)C1 2340054062 IUKXPERASMXBIS-XPTSAGLGSA-N 454.533 4.192 50 10 JIGE COc1ccc(C(=O)N[C@H](CCBr)COCc2ccccc2)c(Cl)c1OC 2369431890 XNAIENJDLDRUBO-OAHLLOKOSA-N 456.764 4.457 50 10 JIGE CC1(C)CC(CBr)(CN=[S@](C)(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)C1 2371133562 OQNUTBDWEHPXPG-MHZLTWQESA-N 466.486 4.143 50 10 JIGE N#C/C(C(=O)NCc1ccco1)=C1\S[C@@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(F)cc1 1889064 SZFVYPQLKRNLGL-VLBGROSNSA-N 492.488 4.070 50 10 JIGE CNC(=O)/C(C#N)=C1/S[C@H](Cc2cccc(Br)c2)C(=O)N1c1ccc(Cl)cc1 2888333 DBYMAORMTLCVST-PBEQFFAXSA-N 476.783 4.275 50 10 JIGE CCCCCC(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 14040399 GHYIEUWKXJDQHP-UHFFFAOYSA-N 468.623 4.452 50 10 JIGE CC(C)(C)OC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(Br)cc3)[C@H]2C1 16034243 JQADNVVRNPBNCI-RBUKOAKNSA-N 480.366 4.110 50 10 JIGE CNC(=O)/C(C#N)=C1/S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccc(Br)cc1 33389443 NMSKSJNLFCBHPZ-AWZALFRUSA-N 476.783 4.275 50 10 JIGE O=C(N/N=C/c1cc(Cl)ccc1O)[C@H]1CCCN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 59202417 CZTSFKFZCHYZQY-BYXSLANXSA-N 456.808 4.092 50 10 JIGE CCc1ccc(OCC(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccccc3)cc2OC)cc1 206398300 RVNVTRYADULDMZ-HAHDFKILSA-N 470.525 4.465 50 10 JIGE C[C@@H](Br)CCN(C)C(=O)c1cc(Br)ccc1I 235162947 WVJXKXUTQLEHSI-MRVPVSSYSA-N 474.962 4.299 50 10 JIGE FC(F)c1c(I)ncc(CBr)c1I 238595395 MYJAOINGOZUMFG-UHFFFAOYSA-N 473.824 4.123 50 10 JIGE CCOc1cc(C=NNC(=O)Cc2ccc(OC)c(OC)c2)ccc1OC(=O)c1cccs1 254401334 DNXGSHZCTJADMH-UHFFFAOYSA-N 468.531 4.076 50 10 JIGE COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=C(C)c2ccc(F)cc2)cc1OC 254485624 IEDBFEBNKNPNNA-RMUJMMJOSA-N 461.493 4.154 50 10 JIGE O=C(CCl)c1c(Br)cc(I)cc1I 575686345 MDNLAMUGXFNSGR-UHFFFAOYSA-N 485.284 4.080 50 10 JIGE Cc1nc(CC(CBr)(CBr)c2ccc(Br)cc2)n(C)n1 689563666 LRQVWCFYXXTBGR-UHFFFAOYSA-N 466.015 4.156 50 10 JIGE Cn1cc([C@H](Br)c2cc(Br)cc3c2OCC3)nc1Br 698451257 PUAPDMGFGUMOCF-LLVKDONJSA-N 450.956 4.364 50 10 JIGE COc1cc([C@@H](Br)c2nn(C)cc2Br)c(OC)cc1Br 710264996 ARXZUBCVXWHSHU-GFCCVEGCSA-N 468.971 4.447 50 10 JIGE N#CCCn1cc(/C=C(/C#N)C(=O)NC[C@H]2CCN(CC(F)(F)F)C2)c(-c2ccc(Cl)cc2)n1 726527030 DGJCTFYAWALNOB-LTKMBJGESA-N 490.917 4.025 50 10 JIGE C=CCOc1ccccc1C=NNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 915903100 RCRUGXSVVIAYNO-UHFFFAOYSA-N 477.586 4.144 50 10 JIGE COC(=O)c1ccc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(OC)cc2)CCC3)cc1 1772745687 HWAMXAOAQYXKEA-UHFFFAOYSA-N 476.485 4.073 50 10 JIGE Cc1c(C(=O)N(C)Cc2ccccc2)oc2c1C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772747232 KWTHQXRLBYMXQL-UHFFFAOYSA-N 474.517 4.168 50 10 JIGE CCC[C@H](NC(=O)c1nc(C(F)(F)F)n2ccccc12)C(=O)Nc1ccc(SC#N)cc1 1867286804 YOVHAQSZZULMLF-HNNXBMFYSA-N 461.469 4.463 50 10 JIGE Fc1cc2c(cc1I)nc(CCCl)n2C[C@@H]1C[C@H]1Br 1887725176 PTGSNOSEYVAGCH-JGVFFNPUSA-N 457.512 4.345 50 10 JIGE CN(C(=O)c1ccc(Br)cc1I)C(C)(C)CBr 2026215773 BUMZQBKUPFJABL-UHFFFAOYSA-N 474.962 4.299 50 10 JIGE CCOC(=O)c1ccc(I)c(CBr)c1OC(F)(F)F 2055267998 NRRFOIVLFOMTDE-UHFFFAOYSA-N 452.992 4.261 50 10 JIGE CC(C)(C)OC(=O)N1CCC(CI)(O[C@H]2COC3(CCCC3)C2)CC1 2069127824 LCVMCUMILZNRSB-OAHLLOKOSA-N 465.372 4.309 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@@H](Cl)[C@H](C2CC2)C1 2090673661 IUZGUJWLQAUZFE-NWDGAFQWSA-N 454.533 4.143 50 10 JIGE CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](NS(=O)(=O)c2ccc(CBr)cc2)CC1 2189862151 UEYXGIXRRKNUHI-JKSUJKDBSA-N 461.422 4.086 50 10 JIGE C=CCNC(=O)C(C#N)=C1S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(OC)cc1 2314593314 LDDXFEOEJISIFU-HXUWFJFHSA-N 453.951 4.077 50 10 JIGE C[C@@H](NC(=O)C(C#N)=CNC1CCN(C(=O)OC(C)(C)C)CC1)C12CC3CC(CC(C3)C1)C2 2324915085 BSPIJHCQTHFQKZ-ZFGQVMFLSA-N 456.631 4.104 50 10 JIGE O=C(c1cc(I)ccc1Br)N1[C@H]2CC[C@@H]1[C@@H](CCl)C2 2329070936 HNFJBXQGWHYYGT-DFAYQTQMSA-N 454.533 4.286 50 10 JIGE O=C(N[C@@H]1C[C@H](CBr)[C@H]2C[C@H]21)c1ccc(Cl)cc1I 2340063588 ABRGJKANDVPRLY-GDECHXLSSA-N 454.533 4.094 50 10 JIGE CC(C)[C@H]1C[C@@H](Br)CN1S(=O)(=O)c1cc(Cl)c(Br)s1 2344599400 NUCWAUXSWWQLMY-VXNVDRBHSA-N 451.633 4.347 50 10 JIGE Cc1sc(CBr)cc1S(=O)(=O)N1CC[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2355843290 KZAPXTYXGKZVDP-ZWKOTPCHSA-N 469.470 4.379 50 10 JIGE CC[C@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(-c3ccccc3)cc2)cc1 10295914 DRACUVIKOOOOQJ-SFHVURJKSA-N 477.586 4.245 50 10 JIGE CCCOC(=O)c1ccc(OCC(=O)NNC(=O)[C@H](CC)Oc2ccccc2[C@@H](C)CC)cc1 10683812 AOLVJCRBJCVJSE-AVRDEDQJSA-N 470.566 4.151 50 10 JIGE O=C(Cc1cccc2ccccc12)NNC(=S)NC(=O)c1ccc(OCCOc2ccccc2)cc1 14039707 AZFLKVBWWWIXKH-UHFFFAOYSA-N 499.592 4.176 50 10 JIGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cc(OC)ccc2OC)cc1 38659707 SGKQAOZAZRCLPX-XMMPIXPASA-N 458.470 4.150 50 10 JIGE COc1ccc(OCCCC(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2OC)cc1 40890047 QBSDOZJVWBQWSW-HMMYKYKNSA-N 490.512 4.285 50 10 JIGE CCN(CC)C(=O)COc1ccc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)cc1 40924653 ONJLSRFPLYHHTQ-AFUMVMLFSA-N 482.631 4.300 50 10 JIGE O=S1(=O)CC[C@@H](C(CBr)(CBr)Cc2c(F)cccc2Cl)C1 118875597 ITTQOYXIDWTEGV-SNVBAGLBSA-N 462.606 4.233 50 10 JIGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1CCC[C@@H](Br)C1 125411054 PZWSNLXDCMYLOH-SSDOTTSWSA-N 451.995 4.304 50 10 JIGE Cc1onc(-c2ccccc2)c1C(=O)NN=C1C(=O)N(CCc2ccccc2)c2ccccc21 254722410 YEXAHPYOWLJSHH-UHFFFAOYSA-N 450.498 4.373 50 10 JIGE COc1ccc(C=NNC(=O)[C@@H](C)Oc2ccc(C)cc2Br)cc1Br 256017278 BOCZADQMPKWNHC-GFCCVEGCSA-N 470.161 4.446 50 10 JIGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@H](c2cc(Br)ccc2N)C1 382731618 UTPLLBDNGXTGOW-ZWNOBZJWSA-N 481.172 4.417 50 10 JIGE Cc1ccc(C=NNC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)cc1 1084183646 WHHMVUAZHPENMU-UHFFFAOYSA-N 455.967 4.379 50 10 JIGE O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NN=Cc1ccncc1 1084459594 BPJCAQFJJNVPDR-UHFFFAOYSA-N 496.898 4.099 50 10 JIGE CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1cc(OC)c(OC)c(OC)c1)C(C#N)=C(N)O2 1865692514 MSHLVUAJPLTQTP-QFIPXVFZSA-N 460.534 4.128 50 10 JIGE COc1ccc(-c2nn(CC(C)C)c3c2[C@@H](c2ccc4c(c2)OCCO4)C(C#N)=C(N)O3)cc1 1865698411 SOTBSLBAWIKNCU-QFIPXVFZSA-N 458.518 4.204 50 10 JIGE CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1cc(OC)c(O)c(OC)c1)C(C#N)=C(N)O2 1865714753 PJPCMEAULPRZAO-HXUWFJFHSA-N 466.925 4.419 50 10 JIGE CC(C)(C)OC(=O)NC1(CC(=O)NC[C@H]2C[C@H](Br)C2)CCN(Cc2ccccc2)CC1 2020175591 DZKNGQKSHCLNKX-MXVIHJGJSA-N 494.474 4.226 50 10 JIGE O=C(N[C@@H]1CC[C@@H](CBr)C1)c1ccc(I)c(Br)c1 2029534948 LZYIGKDOVXYTEE-PSASIEDQSA-N 486.973 4.347 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1C[C@H]2CC[C@@]1(CBr)C2 2089729265 AERRIZWSYAUAIU-XPTSAGLGSA-N 454.533 4.334 50 10 JIGE O=C(c1scc(Br)c1Br)N1[C@H](CBr)C[C@@H]2OCC[C@@H]21 2090536096 XELYYGOLYOBNPP-XVYDVKMFSA-N 474.012 4.040 50 10 JIGE C[C@H]1C[C@@H](CBr)CCN1S(=O)(=O)c1cc(Cl)c(Br)s1 2115856785 BEKQKLIMCFJQJH-YUMQZZPRSA-N 451.633 4.348 50 10 JIGE BrCCCN1CCN(Cc2cc(Br)ccc2Br)CC1 2118519307 IRDWIFPHUIQCHB-UHFFFAOYSA-N 455.032 4.114 50 10 JIGE Cc1sc(CBr)cc1S(=O)(=O)N(C)[C@H]1C[C@H](C)N(Cc2ccccc2)C1 2123243776 NZRVTGJLVGSMRJ-YOEHRIQHSA-N 457.459 4.235 50 10 JIGE O=C(c1cc(I)ccc1F)N1CC[C@@H](Br)C(F)(F)CC1 2169662444 DJUAOKUSRXXTBS-LLVKDONJSA-N 462.047 4.065 50 10 JIGE O=S(=O)(Cc1ccc(CBr)cc1)N1CC2(CC(OCc3ccccc3)C2)C1 2179775806 OMNOURBICMAWNW-UHFFFAOYSA-N 450.398 4.093 50 10 JIGE Cc1c(F)cc(CBr)cc1S(=O)(=O)N(C)[C@H]1CC[C@@H]1OCc1ccccc1 2179858094 JVDKKNHBBSYGDU-OALUTQOASA-N 456.377 4.397 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@@H]([S@](C)(=O)=NCCCCCI)C1 2211183062 BQLVIQOCUSHAPR-FATZIPQQSA-N 458.406 4.089 50 10 JIGE COc1ccc([C@H](Br)c2cn(C)nc2Br)cc1I 2257356667 UZZVTSZGZYZIGU-NSHDSACASA-N 485.945 4.280 50 10 JIGE Cc1nc(C2CCN(C(=O)[C@H](Cl)C(C)C)CC2)nc2c1CCC(=O)N2Cc1cccc(F)c1 2296577990 HUKMFSJEPVEMFD-JOCHJYFZSA-N 472.992 4.373 50 10 JIGE COc1ccc(NC(=O)C(C#N)=Cc2ccc(OS(=O)(=O)c3ccccc3)c(OC)c2)cc1 2313541099 RSEUPVKKNJSJAS-UHFFFAOYSA-N 464.499 4.017 50 10 JIGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)C=Cc1ccccc1Cl 2313621101 JRISZBHYTBUMEB-NSHDSACASA-N 472.781 4.149 50 10 JIGE Cc1ccc2c(O)nc(C(C#N)=Cc3cc([N+](=O)[O-])ccc3OCC(=O)Nc3nccs3)nc2c1 2314487721 ICSCOMCYFMVVBV-UHFFFAOYSA-N 488.485 4.090 50 10 JIGE CCOc1ccc(C=NNC(=O)c2ccc3nc(Cc4ccc(OC)c(OC)c4)[nH]c3c2)cc1 2323720298 HUOFIDLYPIFHBK-UHFFFAOYSA-N 458.518 4.334 50 10 JIGE COc1ccc(OC)c(/C=N/NC(=O)c2ccccc2NC(=O)c2ccccc2Br)c1 3658799 OEZGPLAVGRPKCT-AFUMVMLFSA-N 482.334 4.483 50 10 JIGE COc1cc(C(C)C)c(OC)cc1/C=N/NC(=O)Cn1c(-c2ccccn2)nc2ccccc21 20550077 PQNIQHIKIXSOOS-RWPZCVJISA-N 457.534 4.389 50 10 JIGE COc1ccc(/C(C#N)=C\c2cccc(OC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)c2)cc1 31903141 HEZIMIKMKWKQMK-QNGOZBTKSA-N 462.527 4.229 50 10 JIGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)cc4)ccc32)c1OC 38658756 IAKNGDVVJOTKIL-VWLOTQADSA-N 472.497 4.215 50 10 JIGE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cc(OC)ccc2OC)cc1 38659976 ILXBVBWGLIQEMY-SANMLTNESA-N 472.497 4.079 50 10 JIGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)c1 38684897 APGDVIBZCFEYJZ-QHCPKHFHSA-N 457.442 4.431 50 10 JIGE COC(=O)c1ccccc1N(C)C(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(C)cc1)CCC2 40804465 RRVKLRLLJGUSFQ-VFCFBJKWSA-N 473.529 4.430 50 10 JIGE COc1cc([C@@H](C(=O)NC2CCC(C)CC2)N(C(=O)CCl)C2CC2)ccc1OC(C)C 97914790 FMYJNERDXCSNJN-KOBHVQJXSA-N 451.007 4.448 50 10 JIGE COc1ccc(Cl)cc1N(CC(=O)NN=C(C)c1cccs1)S(=O)(=O)c1ccccc1 254303508 IVHANVHAEKVMAL-UHFFFAOYSA-N 477.995 4.146 50 10 JIGE O=C(COc1ccc([N+](=O)[O-])cc1)NN=Cc1ccc(OC(=O)c2cccc3ccccc23)cc1 254505752 RHPQSXBDQRVDDJ-UHFFFAOYSA-N 469.453 4.496 50 10 JIGE O=C(NN=Cc1cc(Br)cc(Br)c1O)c1ccc(Br)cc1 254623051 QERLWOMVFDBAFP-UHFFFAOYSA-N 476.950 4.444 50 10 JIGE COc1ccc(C(=O)NNC(=O)[C@@H](Oc2ccc(F)cc2Cl)c2ccccc2)c(OC)c1 730495629 RZQWADCURKSVLB-NRFANRHFSA-N 458.873 4.078 50 10 JIGE COc1ccc(OC)c(NC(=O)COC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(F)cc3)c2C)c1 786605264 FWHMASKBYGRRGY-UNOMPAQXSA-N 477.492 4.339 50 10 JIGE CC(=NNC(=O)CSc1nnc(CCc2ccccc2)n1-c1ccccc1)c1ccc2c(c1)OCO2 1084159507 ZQTVOZPZPAWERO-UHFFFAOYSA-N 499.596 4.414 50 10 JIGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1cccc(OC)c1O)C(C#N)=C(N)O2 1865684096 MWPZGTWWEHKUDE-LJQANCHMSA-N 454.889 4.219 50 10 JIGE CN(C)[C@H](C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1ccccc1 1866698963 UCBXPRRKHCDVBM-RPWUZVMVSA-N 458.587 4.229 50 10 JIGE CCC[C@H](NC(=O)c1cc(-c2cc(F)ccc2OC)n(C)n1)C(=O)Nc1ccc(SC#N)cc1 1867101269 WVKXINVIOKEPRL-IBGZPJMESA-N 481.553 4.345 50 10 JIGE O=C1c2ccccc2C(=O)N1CCc1nccn1-c1ccc(F)c(Cl)c1CBr 1912986754 XKIWKEVQMKMJAX-UHFFFAOYSA-N 462.706 4.398 50 10 JIGE BrC[C@@H]1CCCN(c2ncc(I)cc2Br)C1 1988530521 GWKQSPKLIXIGQA-QMMMGPOBSA-N 459.951 4.060 50 10 JIGE O=C(c1cc(Br)sc1Br)N1CC[C@@H]2[C@H](CBr)[C@@H]2C1 2032223160 IAMAZYQAZHOVKF-BWVDBABLSA-N 458.013 4.376 50 10 JIGE O=C(c1cc(Br)c(Br)s1)N1C[C@@H]2[C@H](CBr)C[C@H]2C1 2053984394 PASNIFJXHPRTAM-BIIVOSGPSA-N 458.013 4.376 50 10 JIGE O=C(CBr)c1ccc(I)c(Br)c1OC(F)F 2054809979 XIQVYYFWXNPYDP-UHFFFAOYSA-N 469.845 4.233 50 10 JIGE CCN(C[C@](C)(CI)OC[C@@H]1C[C@]12CCCOC2)C(=O)OC(C)(C)C 2077654257 NYQYAGVXOFUSNZ-SNRMKQJTSA-N 467.388 4.270 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@H]2CC[C@@]1(CBr)C2 2089725578 OPKGKYZFFOHOIV-XPTSAGLGSA-N 498.984 4.443 50 10 JIGE CN(CC1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccsc1CBr 2123284475 PRMJYOZGUMXZDQ-UHFFFAOYSA-N 457.459 4.176 50 10 JIGE Cc1ccc(CBr)cc1S(=O)(=O)N1CCN(Cc2ccccc2)CC[C@@H]1C 2179787638 RRERHSNVZISJTC-SFHVURJKSA-N 451.430 4.175 50 10 JIGE O=S(=O)(Cc1cccc(CBr)c1)N(Cc1ccccc1)CC1CCOCC1 2179789297 OTBGTBIPVVTSOW-UHFFFAOYSA-N 452.414 4.340 50 10 JIGE CC(C)(CI)CN1C[C@H]2CCC[C@@](CNC(=O)OC(C)(C)C)(C2)C1 2306809813 MYXNKRTULITHRG-KXBFYZLASA-N 450.405 4.465 50 10 JIGE O=C(c1ccc(Br)cc1Br)N1C[C@H]2CC[C@@H](Br)[C@H]2C1 2328657367 WSCHRVPFGWIDFF-JFUSQASVSA-N 451.984 4.457 50 10 JIGE COc1cc(C=NNC(=O)[C@H](C)NC(=O)OC(C)(C)C)ccc1OCc1ccccc1Cl 2328795052 CUOHQVNWWAKPIA-HNNXBMFYSA-N 461.946 4.291 50 10 JIGE CC(C)[C@H](CBr)N(C)S(=O)(=O)c1cc(Br)ccc1Br 2341379093 YKFHUEUUAFUKNB-NSHDSACASA-N 478.044 4.252 50 10 JIGE O[C@H](COc1cc(Br)cc(I)c1)Cc1nc(CCl)cs1 2364012037 MNRQZHKVXROZFF-NSHDSACASA-N 488.572 4.231 50 10 JIGE COc1cccc(OC)c1C(=O)NNC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1043843 VIDNHNCCXUBLGT-UHFFFAOYSA-N 451.323 4.208 50 10 JIGE O=C(N/N=C/C(Br)=C/c1ccccc1)c1cccc(S(=O)(=O)N2CCCCC2)c1 3209755 FLSYDVIIBDIOFP-PKIWUXPHSA-N 476.396 4.013 50 10 JIGE C/C(=N/NC(=O)CCC(=O)Nc1ccc(Br)cc1)c1ccc(Br)cc1 13144180 RQSVZDMKQNRKPX-UUYOSTAYSA-N 467.161 4.471 50 10 JIGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)COc1ccc(C(C)(C)C)cc1 13976424 WISNHVVJTBOANB-CYBMUJFWSA-N 498.432 4.159 50 10 JIGE N#CC1=C(N)OC2=C([C@H]1c1ccc(O)cc1)S(=O)(=O)N(Cc1ccc(F)cc1)c1ccccc12 20558442 DGGGGHXNWJUQIB-QFIPXVFZSA-N 475.501 4.058 50 10 JIGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc([N+](=O)[O-])c2)cc1 38653521 ZEWYNDVBRPBETI-DEOSSOPVSA-N 457.442 4.106 50 10 JIGE COc1ccccc1NC(=O)/C(C#N)=C/c1c(Oc2ccccc2OC)nc2ccccn2c1=O 39993093 SNHWTIXMEGSBLY-BMRADRMJSA-N 468.469 4.050 50 10 JIGE Cc1ccc(CNc2ncnc(NNC(=O)COc3ccc(Cl)cc3Cl)c2[N+](=O)[O-])cc1 40650715 IXYQMSVBSHDWDD-UHFFFAOYSA-N 477.308 4.134 50 10 JIGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1ccc(OC)c(OC)c1 40926146 IXZKLQRJSUFIJT-XDHOZWIPSA-N 476.485 4.138 50 10 JIGE CCCCOc1cccc(/C=C(/C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)c1 96504310 GNPXCYSXLOWHDP-HKWRFOASSA-N 491.573 4.310 50 10 JIGE O=S1(=O)CC[C@H]([C@@H](Br)c2cc(Br)c(Br)s2)C1 128201802 PKUHXDKFPOYTDO-YLWLKBPMSA-N 453.015 4.144 50 10 JIGE O=C(N/N=C\c1cc(Cl)c(O)c(Cl)c1)c1cccn(Cc2ccccc2Cl)c1=O 169920809 XAUBVSQQOUMADC-VROXFSQNSA-N 450.709 4.326 50 10 JIGE CC1(C)CN(S(=O)(=O)c2cc(Br)ccc2Br)CC[C@H]1Br 313016296 XDTVNHZKHKUJGE-GFCCVEGCSA-N 490.055 4.396 50 10 JIGE Nc1ccc(I)cc1[C@H]1CN(Cc2ccccc2)C[C@@H]1CBr 382715886 KGDSUQVCIDFDPZ-YOEHRIQHSA-N 471.180 4.484 50 10 JIGE CC[C@H]1CN(C(=O)c2ccc(I)c(Br)c2)C[C@H]1Br 721615011 QODYKEVJWKVQTA-GZMMTYOYSA-N 486.973 4.299 50 10 JIGE O=C(NN=Cc1cc(Br)c(I)o1)Nc1ccccc1Cl 1083971162 HATXHGLCIAYPCW-UHFFFAOYSA-N 468.476 4.456 50 10 JIGE COc1ccccc1/C(C#N)=C/c1cccc(OC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)c1 1615067188 BZOJGGZNBQBCAP-GMYFBSLISA-N 452.466 4.349 50 10 JIGE Cc1sc2ncn(CC(=O)NNC(=O)/C=C/c3ccc(C(C)C)cc3)c(=O)c2c1-c1ccccc1 1860769954 MYTWMXJRDAUUQI-SDNWHVSQSA-N 486.597 4.418 50 10 JIGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc([N+](=O)[O-])cc1)C(C#N)=C(N)O2 1865713321 WLORRCAHMUILPT-LJQANCHMSA-N 453.861 4.413 50 10 JIGE ClC[C@H](I)[C@@H](CCl)OCc1cccc(I)c1 1902252146 MJAPMXNQIKQYMN-WDEREUQCSA-N 484.930 4.458 50 10 JIGE O=C(c1cc(Br)cc(Br)c1)N1C[C@@H]2CC[C@]2(CBr)C1 1903985001 UOXZPSUKCSKOGC-HZMBPMFUSA-N 451.984 4.459 50 10 JIGE CC(C)(C)OC(=O)Nc1ccc(I)c(CC(=O)CBr)c1 1952746303 VSWTWRAMALRJGO-UHFFFAOYSA-N 454.102 4.145 50 10 JIGE CN([C@@H]1CC[C@H]1OCc1ccccc1)S(=O)(=O)c1cc(CBr)oc1Br 2059267717 RDGBXYVXJWMLQG-HUUCEWRRSA-N 493.217 4.305 50 10 JIGE CC[C@@H]1CSC(Nc2ccc(C(C)=NNC(=O)Cn3cc(C(F)(F)F)cc(Cl)c3=O)cc2)=N1 2069656849 UIRGSOOIHPOGFQ-OAHLLOKOSA-N 499.946 4.354 50 10 JIGE Cc1cc(-n2nc(CBr)c(I)c2C(F)(F)F)cnc1F 2078932428 JPYRZQHMMKXAHS-UHFFFAOYSA-N 463.998 4.233 50 10 JIGE C[C@]1(CBr)CCN(C(=O)c2ccc(Br)cc2I)C1 2086149959 UYDJHMSTPBVEDP-CYBMUJFWSA-N 486.973 4.301 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CCCC[C@H]1CBr 2086150512 BVDSVFFBWLBPJQ-JTQLQIEISA-N 486.973 4.443 50 10 JIGE O=C(OCc1ccccc1)N1CC2(CC=CCN2C(=O)c2ccc(CBr)cc2)C1 2142786107 GKEMPQPLIPFZQK-UHFFFAOYSA-N 455.352 4.375 50 10 JIGE O=S(=O)(c1cc(Cl)c(Br)s1)N1C[C@@H]2CCC[C@H](Br)[C@H]2C1 2150963527 BIROIDLLFHNHAI-CIUDSAMLSA-N 463.644 4.348 50 10 JIGE O=S(=O)(c1ccc(F)c(CBr)c1)N(Cc1ccccc1)CC1CCOCC1 2179784541 ALILJKKJRDLAPX-UHFFFAOYSA-N 456.377 4.338 50 10 JIGE O=S(=O)(c1cc(CBr)cs1)N1CCc2sc(Br)cc2C1 2206355567 ABYQYUJOTWDOOR-UHFFFAOYSA-N 457.234 4.214 50 10 JIGE C[C@@H](CBr)CC1CN(C(=O)c2cc(Cl)ccc2I)C1 2230539386 YDLGTTVNOKGOLC-SECBINFHSA-N 456.549 4.438 50 10 JIGE O=C1c2ccccc2C(=O)N1C[C@H](Br)Cc1cccc(C(F)(F)C(F)(F)F)n1 2258674874 FWINWANTNJTFGO-SNVBAGLBSA-N 463.200 4.338 50 10 JIGE CCc1ccc(C=C2SC(=S)N(CCCC(=O)NNC(=O)c3ccc(C)cc3)C2=O)cc1 2295914123 WODMLIXPUCOAJX-UHFFFAOYSA-N 467.616 4.000 50 10 JIGE COC(=O)c1c(NC(=O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)sc(C(C)=CC#N)c1C 2331560201 FXDFWZWEGWFOSD-SJLPKXTDSA-N 451.548 4.318 50 10 JIGE O=C(N[C@@H]1C[C@@H](CBr)[C@@H]2C[C@H]12)c1ccc(Cl)c(I)c1 2334380195 YZBKZYNHWZUHLR-AVWBDOJWSA-N 454.533 4.094 50 10 JIGE O=S(=O)(c1cc(Cl)c(Br)s1)N1C[C@H]2CC(Br)C[C@@H](C2)C1 2364155669 AGHFJIMJSAGQEZ-HTQZYQBOSA-N 463.644 4.348 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)[C@@H](Br)C2CCCC2)[C@H]1C(F)(F)F 2370173279 VQAQRVUCDHDPNR-IHRRRGAJSA-N 457.331 4.387 50 10 JIGE N#C/C(=C/c1cn(CC(=O)N2CCOCC2)c2ccccc12)C(=O)Nc1ccc(Cl)cc1Cl 1096908 APRVBKDUIOFISF-WJDWOHSUSA-N 483.355 4.353 50 10 JIGE CCN(CC)c1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)/C(C#N)=C/c1ccc(OC)cc1 9090729 TZSBTTPHICYTJV-CAPFRKAQSA-N 484.622 4.118 50 10 JIGE O=C(Cc1cccc2ccccc12)NC(=S)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 13977008 PAOFTOJWJKRXHK-UHFFFAOYSA-N 488.613 4.237 50 10 JIGE O=C1Nc2cccc(Br)c2C1=NNC(=O)c1ccccc1OCc1ccc(F)cc1 17649127 VXJDVRPAELNYOA-UHFFFAOYSA-N 468.282 4.253 50 10 JIGE CCOc1cccc(/C=C(\C#N)C(=O)Nc2sc(C(=O)N(CC)CC)c(C)c2C(=O)OC)c1 20608574 QFHVNCROHQQGIL-SFQUDFHCSA-N 469.563 4.270 50 10 JIGE COc1ccc2c(c1)/C(=N\NC(=O)COc1ccc3cc(Br)ccc3c1)C(=O)N2C(C)C 33959356 NOOMQTYHABKTQJ-SLEBQGDGSA-N 496.361 4.265 50 10 JIGE CCOC(=O)c1c(NC(=O)[C@@]23CC[C@@](C)([C@@H]2Br)C3(C)C)sc2c1CCN(C)C2 35548425 IGJJFRHNXZURFF-DZFGPLHGSA-N 469.445 4.441 50 10 JIGE Cc1ccc2cccc(Oc3ncnc(NNC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)c3[N+](=O)[O-])c2n1 40618662 NSUFRARLQHDLFT-UHFFFAOYSA-N 495.839 4.352 50 10 JIGE COc1ccccc1C(=O)NNc1ncnc(Nc2ccc(Cl)c(C(F)(F)F)c2)c1N 40785105 HSSRQNTTWFODFF-UHFFFAOYSA-N 452.824 4.240 50 10 JIGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cc([N+](=O)[O-])ccc2Cl)c(OC)c1 40969039 PFYMXLJJRARWLT-XNTDXEJSSA-N 457.870 4.299 50 10 JIGE C=CCOc1ccccc1CN1C(=O)C(=NNC(=O)COc2ccc(C)cc2)c2ccccc21 245285914 ZQFOLVBBFWVFDL-UHFFFAOYSA-N 455.514 4.006 50 10 JIGE CCOc1ccc(N[C@@H](C)C(=O)NN=Cc2cc(Br)cc(Br)c2O)cc1 252621093 MSPZMTHOROMDHK-NSHDSACASA-N 485.176 4.267 50 10 JIGE O=C(Oc1cccc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)c1)c1ccccc1 254287424 CVAVKBZYBVMXAG-UHFFFAOYSA-N 450.494 4.292 50 10 JIGE Cc1ccccc1NC(=O)C(=O)NN=Cc1c(OC(=O)c2ccccc2)ccc2ccccc12 254493216 MYJHQDHLMCAFIO-UHFFFAOYSA-N 451.482 4.456 50 10 JIGE CCO/C(O)=C(/C#N)[C@H](c1ccc([N+](=O)[O-])cc1)[C@H](C(=O)Nc1ccccc1)[n+]1ccccc1 585145752 CANNDDXDOICCNG-ZIIJFCCYSA-O 459.482 4.176 50 10 JIGE O=C(NC[C@@H]1CCC[C@@H]1CCl)c1ccc(I)c(Br)c1 721619685 LUKGGQLAEBGZMT-MNOVXSKESA-N 456.549 4.439 50 10 JIGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)N[C@@H](C)c2oc3ccccc3c2C)cc1 920850424 AFUNGZRVXUAGIB-HJHGFDQJSA-N 497.555 4.273 50 10 JIGE COc1ccc(CNC(=O)C(=O)NN=Cc2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)cc1 1084505243 DFUAEMSLSLBIGI-UHFFFAOYSA-N 473.360 4.176 50 10 JIGE C#CCOc1c(Br)cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc1Br 1084591858 BHRJYDGPTDZPFA-GOSISDBHSA-N 494.183 4.188 50 10 JIGE C=CCC1(C(=O)NNC(=O)c2cccc(S(=O)(=O)Nc3ccc(C)cc3C)c2)CCCC1 1463618316 PBNHBVPGSFAGDJ-UHFFFAOYSA-N 455.580 4.002 50 10 JIGE Cc1c(C(=O)NNC(=O)c2cccc(Cl)c2)oc2c1C(=NNC(=S)Nc1ccccc1)CCC2 1772751372 QDUZSNAPNQQVLZ-UHFFFAOYSA-N 495.992 4.343 50 10 JIGE O=C(Cl)c1c(I)ccc(C(F)(F)F)c1I 2060053241 VTLCSBFZEOPANZ-UHFFFAOYSA-N 460.358 4.294 50 10 JIGE CC(C)[C@H]1[C@H](Br)CCN1S(=O)(=O)c1cc(Cl)c(Br)s1 2126093402 NIPDMBFVXOKEJX-XCBNKYQSSA-N 451.633 4.347 50 10 JIGE O=C(c1cc(Br)c(Br)s1)N1C[C@@H](CBr)OCC12CC2 2127545642 BXMYNVNDXFBKBO-SSDOTTSWSA-N 474.012 4.042 50 10 JIGE Cc1sc(CBr)cc1S(=O)(=O)N1C[C@H](C)CN(Cc2ccccc2)C[C@H]1C 2179822398 WJOMRNHCOZXEOM-HZPDHXFCSA-N 471.486 4.483 50 10 JIGE CSCC[C@H](Br)CCNC(=O)c1ccc(C)c(I)c1 2224626619 JOJFQYWPPYGODL-GFCCVEGCSA-N 456.187 4.236 50 10 JIGE CC(C)(C)OC(=O)NC[C@](C)(CI)OC1CCN(Cc2ccccc2)CC1 2242037489 CJWYPNAIBHLQAW-NRFANRHFSA-N 488.410 4.386 50 10 JIGE N#CC(=Cc1c(Oc2ccccc2Cl)nc2ccccn2c1=O)C(=O)NCCc1ccccc1 2296720318 OVLOSKUAQQTRCD-UHFFFAOYSA-N 470.916 4.406 50 10 JIGE C[C@H]1CCc2c(sc(NC(=O)C(C#N)=Cc3cccn3-c3ccc([N+](=O)[O-])cc3)c2C(N)=O)C1 2296818967 GMTHXROMKQUXNN-AWEZNQCLSA-N 475.530 4.216 50 10 JIGE COc1cc(C=C2C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 2314618521 OYHNXOGTJUKCQP-QFIPXVFZSA-N 472.541 4.354 50 10 JIGE O=C(NN=C1C(=O)N(Cc2ccccc2Cl)c2ccccc21)c1ccc(Br)o1 2326840122 SYPRDVKURHWKGI-UHFFFAOYSA-N 458.699 4.376 50 10 JIGE C[C@](CBr)(NC(=O)c1ccc(Cl)cc1I)C(F)(F)F 2340068268 LBZYMNMZFURKCC-SNVBAGLBSA-N 470.454 4.390 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CCN(Cc2ccccc2)CC1(C)C 2350358989 ZRYXZAAXAWXTIP-DEOSSOPVSA-N 497.727 4.238 50 10 JIGE CC1(C)CN(Cc2cc(I)ccc2Cl)C[C@@H](CBr)O1 2352418278 SUNHGLLNUYHOIB-GFCCVEGCSA-N 458.565 4.319 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OCc2ncc3ccccn23)C1 2352607099 HMQMEFAFKMTPMS-IBGZPJMESA-N 471.339 4.056 50 10 JIGE C=CCOc1ccc(C(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)cc1OC 17200691 MQRQJVLZVPJOPN-UHFFFAOYSA-N 450.466 4.053 50 10 JIGE C=C(/C=C\CBr)S(=O)(=O)c1nc(-c2ccc(Cl)cc2)oc1NCCOC 39846103 GKXRZMIPCBLLDW-ARJAWSKDSA-N 461.765 4.292 50 10 JIGE CCCOc1ccc(/C=N/NC(=O)Nc2sc(C(=O)OCC)c(C)c2C(=O)OCC)cc1OC 40840500 HUQNFVUNYMTIJN-ZMOGYAJESA-N 491.566 4.363 50 10 JIGE Cc1cc2ncn(CC(=O)N/N=C/c3ccccc3OCc3ccc(C(=O)O)cc3)c2cc1C 59161216 LERVBCKUNJHWCL-XODNFHPESA-N 456.502 4.081 50 10 JIGE C[C@H](Br)C(=O)Nc1ccc2nc(SCC(=O)NCc3ccccc3)sc2c1 59449306 MNNXMHVOYOUEEG-LBPRGKRZSA-N 464.410 4.427 50 10 JIGE CCCCCCCCCCOc1cc(B(O)O)c(OCCCCCCCCCC)cc1B(O)O 196635146 SVYNFNLDJKRFFZ-UHFFFAOYSA-N 478.288 4.085 50 10 JIGE COc1cc(/C=C(/C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1ccc(-c2ccccc2)cc1 207215115 SGFGATSMIQDEOX-ULJHMMPZSA-N 498.535 4.112 50 10 JIGE CCC[C@@H](Br)CNC(=O)c1cc(I)ccc1Br 233265811 SYEGKRASCBSAIC-MRVPVSSYSA-N 474.962 4.347 50 10 JIGE COc1cc(Br)cc(C=NNC(=O)c2ccc(NC(=O)c3ccc(C)cc3)cc2)c1O 252600232 DPGUBEHRZWAOFX-UHFFFAOYSA-N 482.334 4.488 50 10 JIGE O=C(Oc1cccc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)c1)c1ccc([N+](=O)[O-])cc1 254757078 WWZGMDBGQXBRRT-UHFFFAOYSA-N 495.491 4.200 50 10 JIGE C[C@@H]1CCN(S(=O)(=O)c2cc(Br)ccc2Br)C[C@H]1Br 300009226 NWQDZEHOZYNWEY-LDYMZIIASA-N 476.028 4.006 50 10 JIGE C[C@H]1C[C@@H](CCl)CN(C(=O)c2cc(Br)ccc2I)C1 398614654 BQQZXPVZPLAETE-UWVGGRQHSA-N 456.549 4.391 50 10 JIGE Cc1cccc(N2C(=O)NC(=O)/C(=C/c3ccc(N(CCCl)CCCl)cc3)C2=O)c1C 1084051178 MITCAYADSGPLMQ-RGEXLXHISA-N 460.361 4.254 50 10 JIGE COc1ccc(C(C)=NNC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)cc1 1084105245 NMGMSOUESTUVLB-UHFFFAOYSA-N 465.575 4.048 50 10 JIGE COc1ccc(SCC(=O)NN=Cc2ccc(OCc3cccc(C(=O)O)c3)c(OC)c2)cc1 1084189506 LJXKBKRUOMUNFF-UHFFFAOYSA-N 480.542 4.223 50 10 JIGE O=C1C(=NNC(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc2N1Cc1ccc([N+](=O)[O-])cc1 1084220925 YBFAEIPZHQYQRX-UHFFFAOYSA-N 458.518 4.178 50 10 JIGE CC(=O)c1cc(Br)ccc1OCC(=O)NNc1ccc(C#N)cc1C(F)(F)F 1617468271 SBGHMJKHCDWDRT-UHFFFAOYSA-N 456.218 4.064 50 10 JIGE Cc1c(C(=O)Nc2ccc(F)cc2F)oc2c1C(=NNC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 1772743649 FLUWPTMXXYRNFL-UHFFFAOYSA-N 468.416 4.497 50 10 JIGE Cc1cccc(NC(=O)COc2cccnc2NC(=O)Oc2ccc([N+](=O)[O-])cc2F)c1C 1858680885 RMKHZYBPOKUKOE-UHFFFAOYSA-N 454.414 4.374 50 10 JIGE CCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1cc(Cl)c(O)c(OC)c1)C(C#N)=C(N)O2 1865706959 JXKZJUZOVAJQJG-LJQANCHMSA-N 452.898 4.029 50 10 JIGE CCCOc1ccc(/C=C/C(=O)NNC(=O)c2ccc(-c3ccc(OC)c(OC)c3)nc2C)cc1 1865759384 XODRGDDPABMBBV-OVCLIPMQSA-N 475.545 4.337 50 10 JIGE O=C1c2ccccc2C(=O)N1C[C@@H](Br)Cc1ccc(Br)c(F)c1F 1905401486 CHXQOSXZLMHWJT-JTQLQIEISA-N 459.084 4.330 50 10 JIGE O=C(CCl)c1cc(C(F)(F)F)cc(I)c1I 2060045175 ZXSWAIBMVKQECQ-UHFFFAOYSA-N 474.385 4.336 50 10 JIGE CCC[C@@H](CBr)CNS(=O)(=O)c1cc(Br)ccc1Br 2120738624 ASMVPJXQCDYRKU-VIFPVBQESA-N 478.044 4.301 50 10 JIGE Brc1ccc(CN2CC[C@@]3(C[C@@H](Br)CO3)C2)c(Br)c1 2137150246 YNQPVRDKXOSCCA-TZMCWYRMSA-N 454.000 4.340 50 10 JIGE O=C(N[C@@H]1CC[C@H]2C[C@]21CCl)c1ccc(Br)cc1I 2142278252 ALDVHFUPUQLMCR-PELMWDNLSA-N 454.533 4.191 50 10 JIGE CC(C)(C)C[C@H](CBr)CNC(=O)c1cc(I)ccc1O 2156326333 MIOSJPWDPGBAIA-SNVBAGLBSA-N 454.146 4.174 50 10 JIGE CC1(C)C[C@@H](N(Cc2ccccc2)S(=O)(=O)c2ccc(CBr)cc2F)CO1 2179786919 HRYYEVRAVJDAAN-QGZVFWFLSA-N 456.377 4.479 50 10 JIGE CC(C)(C)OC(=O)NC1(CNC(=O)N2CCC(Br)CC2)CCC(F)(F)CC1 2201483862 OPIAOQSYJJIAOL-UHFFFAOYSA-N 454.356 4.028 50 10 JIGE C[C@]1(CBr)CC(F)(F)CN1C(=O)c1c(F)cccc1I 2282780356 MVJCKQUULYMXBE-GFCCVEGCSA-N 462.047 4.065 50 10 JIGE O=C(c1cc(Br)ccc1I)N1[C@H]2CC[C@@H]1C[C@H]2CBr 2330469327 LSLYIIVJAXEQQQ-PLMOITTCSA-N 498.984 4.442 50 10 JIGE COC(=O)[C@@H](Br)C1(Oc2cc(Br)cc(Br)c2)CCC1 2338706978 DNCWWWVNAUYQAT-LLVKDONJSA-N 456.956 4.450 50 10 JIGE Cn1ncc(I)c1-n1c(CCl)nc2cc(F)c(Br)cc21 2381868988 RHLGOXGANGDXNC-UHFFFAOYSA-N 469.483 4.004 50 10 JIGE COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)NNC(=O)c2cn(C)c3ccccc23)c1 10736449 VFMQBRDLMCCIFC-UHFFFAOYSA-N 495.539 4.123 50 10 JIGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OC)ccc32)c(OC)c1 38656756 MBXMCEUWZADMDW-DEOSSOPVSA-N 458.470 4.150 50 10 JIGE Cc1nn(-c2cccc([N+](=O)[O-])c2)c(C)c1/C=N/NC(=O)CSCc1ccccc1Cl 59147311 YMWQZBLXPIUWNW-FOKLQQMPSA-N 457.943 4.434 50 10 JIGE COc1ccccc1N(CC(=O)N/N=C(/C)CCc1ccccc1)S(=O)(=O)c1ccccc1 59382716 ZGRAYRCRJHSQJD-QOMWVZHYSA-N 465.575 4.015 50 10 JIGE C=CCNC(=O)/C(C#N)=C1\S[C@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(OCC)cc1 101241812 KXAUPPNXKWOOCE-SSXUBFHHSA-N 467.978 4.467 50 10 JIGE C/C(N)=C(\C#N)C(=O)COC(=O)/C=C\c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 104653059 VLSPVMCKRSKVPY-LNKOYJCXSA-N 491.345 4.184 50 10 JIGE C[C@@H](Br)C[C@@H](C)NC(=O)c1cc(Br)ccc1I 235182504 ZCJXFGCXYGWKRT-HTQZYQBOSA-N 474.962 4.346 50 10 JIGE COc1ccc(C=NNC(=O)/C(=C/C=C/c2ccccc2)NC(=O)c2ccccc2)cc1OC 254799670 HLNSCSQMOJPMPW-VITLSSPSSA-N 455.514 4.181 50 10 JIGE CC[C@H]1[C@@H](CBr)CCN1S(=O)(=O)c1cc(Cl)c(Br)s1 385897499 ODRNBXFTBAIUHZ-APPZFPTMSA-N 451.633 4.348 50 10 JIGE CN(C[C@H]1CCC[C@H]1Br)S(=O)(=O)c1cc(Cl)c(Br)s1 689297933 SSRPESPGCAFHOB-HTQZYQBOSA-N 451.633 4.348 50 10 JIGE COc1ccc(OC)c2c1CN(C(=O)/C(C#N)=C/c1cc(C)n(-c3ccc(F)cc3)c1C)C[C@H]2O 843453264 HAQPIEKPOGAKJM-NOPGXUSGSA-N 475.520 4.233 50 10 JIGE O=C(COc1ccc(Cl)cc1Cl)NN=C1C(=O)N(CCOc2ccccc2)c2ccccc21 1084440955 YCSQCDDVGJSVJA-UHFFFAOYSA-N 484.339 4.318 50 10 JIGE C#CCN(C(=O)NC[C@]1(C)C[C@H]1Br)[C@H]1CCOc2ccc(Br)cc21 1233587590 ZXZCGDPDBHVSDJ-LESCRADOSA-N 456.178 4.091 50 10 JIGE Cc1cccc(CN(CC(=O)NN=Cc2cccs2)S(=O)(=O)c2ccc(Cl)cc2)c1 1565504475 WEAOIXXVZNSDMZ-UHFFFAOYSA-N 461.996 4.051 50 10 JIGE Cc1c(C(=O)N=c2cc[nH]cc2)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772749531 MPIZUHMVTPFUOA-UHFFFAOYSA-N 487.343 4.200 50 10 JIGE CCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865709877 JBEYLVVEEGZQGS-XMMPIXPASA-N 495.495 4.485 50 10 JIGE Cc1nc(-c2ccc(Cl)cc2)ccc1C(=O)NNC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1865755941 XYSDLTGWUGPVSX-QGZVFWFLSA-N 472.973 4.119 50 10 JIGE COc1cc(/C=N/NC(=O)CCc2nc3ccccc3[nH]c2=O)ccc1OCc1ccc(Cl)cc1 1873496396 OTLHJZDJMYWJND-RWPZCVJISA-N 490.947 4.247 50 10 JIGE C[C@@H]1[C@H](Br)CCN1S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 1914423076 GRXXVEMNFNPQEV-HTRCEHHLSA-N 451.995 4.302 50 10 JIGE CCN(C[C@@](C)(CI)O[C@H]1C[C@@H](n2cccn2)C1)C(=O)OC(C)(C)C 2063780940 MSFHZQOWLWXDOH-RVKKMQEKSA-N 463.360 4.054 50 10 JIGE CCc1cccc(-n2nc(CBr)c(I)c2C(F)(F)F)n1 2078915585 JKXBABOJKRZHKO-UHFFFAOYSA-N 460.035 4.348 50 10 JIGE C[C@]12CN(C(=O)c3cccc(Br)c3Br)C[C@]1(CBr)C2 2109182076 JTBRJPUFKKOYDV-UONOGXRCSA-N 451.984 4.459 50 10 JIGE CC(C)(C)[C@@H]1C[C@H](CBr)CN(S(=O)(=O)[C@H]2C[C@H](OCc3ccccc3)C2)C1 2164997704 DAAOFIRSIBONNT-UAFMIMERSA-N 458.462 4.443 50 10 JIGE O=S(=O)(c1cc(CBr)cs1)N1CCC2(CCN(Cc3ccccc3)C2)CC1 2179821295 IVTVMDFBLPMEOF-UHFFFAOYSA-N 469.470 4.320 50 10 JIGE CCc1ccc(CBr)cc1S(=O)(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 2179863427 LRHNPMLAWXIURH-HXUWFJFHSA-N 451.430 4.039 50 10 JIGE Cc1nn(C)c([C@@H](Cl)c2cc(I)cc3c2OCC3)c1Br 2192372219 DJUSOACCZAPZNL-LBPRGKRZSA-N 467.532 4.359 50 10 JIGE O=C(c1ccc(F)cc1I)N1[C@@H](CBr)CCC12CCC2 2205774211 YHOWRYHAUAQAGY-LLVKDONJSA-N 452.105 4.353 50 10 JIGE O=S(=O)(c1ccsc1CBr)N1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 2226348262 CGCAUFHMZLQVGI-CALCHBBNSA-N 455.443 4.071 50 10 JIGE COC(=O)COc1cc(Br)c(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc1OC 2294193364 IOSGXRAOEYXFKW-UHFFFAOYSA-N 479.714 4.209 50 10 JIGE COc1ccc(C=C2Oc3c(ccc(OC(=O)C(Cl)Cl)c3C)C2=O)c(OC)c1OC 2323759567 OATHUCKVROCGIB-UHFFFAOYSA-N 453.274 4.346 50 10 JIGE ClCCO[C@H]1CCCN(Cc2ccc(I)c(Br)c2)C1 2349824630 NSEYKVYGPHXZTF-LBPRGKRZSA-N 458.565 4.274 50 10 JIGE CC1(C)C[C@H](Br)C[C@H](NS(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2364209026 ODAJGSGCELDLBK-SJORKVTESA-N 499.471 4.105 50 10 JIGE COc1ccc(C(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1Br 12579465 UOQZAQGSVXRKGP-UHFFFAOYSA-N 476.154 4.385 50 10 JIGE CCCC(=O)Nc1ccc(C(=O)NNC(=O)[C@H](C)Oc2c(C)cc(Br)cc2C)cc1 14643185 COXQWXCMHWUYJR-HNNXBMFYSA-N 476.371 4.033 50 10 JIGE Cc1ccc2c(c1)/C(=N\NC(=O)COc1ccccc1Br)C(=O)N2CCC(C)C 33959341 YBRUMMAGXNPXEV-NJNXFGOHSA-N 458.356 4.050 50 10 JIGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(=O)OC)cc2)c1 38683600 HAKSNPAKGYBXGE-XMMPIXPASA-N 470.481 4.309 50 10 JIGE COc1cc([C@H]2C(C#N)=C(N)N3C(=S)N(c4ccccc4)C(=O)[C@H]23)ccc1OCc1ccccc1 39793523 LHYDBEOANXEHOK-ZEQRLZLVSA-N 482.565 4.068 50 10 JIGE CCOc1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)COc1ccccc1)CCC2 40815978 SFEVYIVDCFPSGA-VFCFBJKWSA-N 461.518 4.475 50 10 JIGE COc1cc([N+](=O)[O-])ccc1-n1nc(C)c(/C=N/NC(=O)COc2cc(C)ccc2C(C)C)c1C 59148786 JEAITNIQWDZHTM-LGJNPRDNSA-N 479.537 4.367 50 10 JIGE CCCCCOc1ccc(C(NC(=O)C(Cl)Cl)NC(=O)C(Cl)Cl)cc1OC 100917207 MFBNLPAGEVRRHM-UHFFFAOYSA-N 460.185 4.103 50 10 JIGE CCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc3cc(C(=O)NC(C)C)c(=O)oc3c2)cc1 206546090 KOOSZAPYUZJAJV-UNOMPAQXSA-N 460.486 4.233 50 10 JIGE CCCn1nc(C(=O)NNC(=O)/C=C\c2ccc(-c3ccccc3F)s2)c2ccccc2c1=O 213408574 NNBZVDVGXOOWGG-OWBHPGMISA-N 476.533 4.149 50 10 JIGE COc1cccc(C=NNC(=O)c2cccc(Cl)c2)c1OS(=O)(=O)c1ccc(C)cc1 252621897 NJKZRPBPQATMIH-UHFFFAOYSA-N 458.923 4.189 50 10 JIGE CC(=O)n1cc(C=NNC(=O)c2ccc(NCc3ccc4c(c3)OCO4)cc2)c2ccccc21 254897810 PERQYVBWOHZZEA-UHFFFAOYSA-N 454.486 4.406 50 10 JIGE COc1cccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)c1 382696413 BEIBZTZBBNMIQO-HKUYNNGSSA-N 451.304 4.482 50 10 JIGE Cc1cccc(C(=O)N2CCC(F)(F)[C@@H](CBr)C2)c1I 403944849 DRGZWNFXOPTHMS-JTQLQIEISA-N 458.084 4.092 50 10 JIGE CCCC(=O)NC[C@@H]1CCCN(C(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(F)cc3)c2C)C1 726170779 BEWCBECPMJTYDD-ALFKQNEGSA-N 450.558 4.295 50 10 JIGE COC(=O)c1ccc([C@H]2Nc3ccc(C(C)=NNC(=O)CC4(C)OCCO4)cc3[C@H]3C=CC[C@H]32)cc1 1084043616 KCHMRVKCPNKWDT-VVZHRXSXSA-N 489.572 4.293 50 10 JIGE CC(=NNC(=O)c1ccc(CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1)c1ccccc1O 1084649729 ZHKUBQTYJMNEFM-UHFFFAOYSA-N 465.575 4.129 50 10 JIGE C=C(Cl)C[C@H](NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(OC)cc2)c1C)C(=O)OCC 1544338479 GWJSRCXMROHDFY-QUYTYNJFSA-N 455.942 4.200 50 10 JIGE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NCCSSC)c1 1587256576 MKZWVSQSGRJKAX-UHFFFAOYSA-N 457.042 4.462 50 10 JIGE CCOc1cc(/C=N/NC(=O)CCc2nc3ccccc3[nH]c2=O)ccc1OCc1ccc(C)cc1 1873496462 SWSOUFWJGSSIIK-STBIYBPSSA-N 484.556 4.292 50 10 JIGE COc1cc(/C=N/NC(=O)[C@H](C)NC(=O)OC(C)(C)C)ccc1OCc1cccc(Cl)c1 1873793530 ORJUQIIXGLLJML-SQAVSUBZSA-N 461.946 4.291 50 10 JIGE O=C(NOCCCNC(=O)C1CC(Br)C1)OCC1c2ccccc2-c2ccccc21 1883528582 XTZJTCBLGZCAPK-UHFFFAOYSA-N 473.367 4.137 50 10 JIGE C[C@@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1ccc(Br)s1 1914347445 FLIRZNSZOJOVLJ-NSHDSACASA-N 453.221 4.485 50 10 JIGE O=C(Cl)c1c(I)ccc(I)c1C(F)(F)F 2060044492 KLIMAMUETZRNAD-UHFFFAOYSA-N 460.358 4.294 50 10 JIGE CN(C(=O)c1ccc(I)c(Br)c1)C1CC(CBr)C1 2073299131 CZEISPVUNKICHU-UHFFFAOYSA-N 486.973 4.299 50 10 JIGE C[C@H](Br)C[C@@H]1CCCCCN1C(=O)c1cc(I)sn1 2120026146 MXKBBNOUJKMRFK-UWVGGRQHSA-N 457.175 4.306 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CC[C@H](Br)[C@H]2CC[C@H]21 2142278367 BQOMMHJVVZDRSC-SUZMYJTESA-N 498.984 4.442 50 10 JIGE C[C@H](Cl)c1nc2cc(I)ccc2n1-c1cc(Br)n(C)n1 2155774222 YBOZMFPXDMIDAN-ZETCQYMHSA-N 465.520 4.426 50 10 JIGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CCC([C@@H](F)CBr)CC1 2163245160 LGROIPFJMNFNAQ-VIFPVBQESA-N 469.623 4.298 50 10 JIGE CCCn1cc(S(=O)(=O)N(C)[C@@H]2CC[C@H]2OCc2ccccc2)cc1CBr 2179860152 NOBRFOFUTIXXRN-WOJBJXKFSA-N 455.418 4.161 50 10 JIGE CC(C)(C)[C@H]1[C@@H](Br)CCN1C(=O)c1ccc(I)c(O)c1 2185100219 OEFNAVQRPCHLOZ-GXFFZTMASA-N 452.130 4.021 50 10 JIGE COc1cc(Br)c([C@H](Br)c2nn(C)nc2Br)cc1C 2227724008 KTCOIGJGEGSKFC-JTQLQIEISA-N 453.960 4.141 50 10 JIGE O=C(c1cc(Br)sc1Br)N1C[C@@H]2OCCC[C@]2(CBr)C1 2238793895 HYKRTXLFZRJPHH-ZANVPECISA-N 488.039 4.289 50 10 JIGE CCOc1cc(C=C(C#N)C(=O)N(C)C)c(Br)cc1OCc1ccc2c(c1)OCO2 2313568887 YCPOTDVZVNPEJZ-UHFFFAOYSA-N 473.323 4.151 50 10 JIGE CCOc1ccc(C=C(C(=O)N2CCC[C@H](C(=O)NNc3ccccn3)C2)c2ccccc2)cc1 2328569355 DVYBTNLIBSBELO-QHCPKHFHSA-N 470.573 4.403 50 10 JIGE O=C(N[C@@H]1C[C@@H](CBr)[C@@H]2C[C@H]12)c1ccc(I)c(Cl)c1 2329878540 SADAHLHMOOTJBN-AVWBDOJWSA-N 454.533 4.094 50 10 JIGE CC1(C)OCCN(Cc2ccc(Cl)c(I)c2)[C@H]1CBr 2337221180 LTAXKFRLNYJCQF-ZDUSSCGKSA-N 458.565 4.319 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1CC[C@@H](CBr)C12CC2 2340053746 DXQLXMWAESXACM-VIFPVBQESA-N 454.533 4.334 50 10 JIGE C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)N/N=C/c4ccc(Br)cc4)c(=O)c23)C1 958193 GDXPXPDDUANXGF-CXQCRDLUSA-N 473.396 4.057 50 10 JIGE Cc1cc(OCC(=O)NNC(=O)c2ccccc2OCc2ccccc2)ccc1Br 14030796 IAILWSZPTUSIQZ-UHFFFAOYSA-N 469.335 4.177 50 10 JIGE CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2-c2ccccc2)cc1 14037187 CIRCLONMRWLPJA-UHFFFAOYSA-N 491.613 4.493 50 10 JIGE CC(C)Oc1ccccc1C(=O)NNC(=O)COc1ccc2ccccc2c1Br 14664220 JVMWLSXFTLAGSH-UHFFFAOYSA-N 457.324 4.230 50 10 JIGE O=C(Cc1c[nH]c2ccccc12)N/N=C(\C=N\NC(=O)Cc1c[nH]c2ccccc12)c1ccccc1 59502101 KDKYRJMJWIDVGS-SHNRILRJSA-N 476.540 4.057 50 10 JIGE O=S(=O)(NC[C@@H]1CCCC[C@H]1Br)c1cc(Cl)c(Br)s1 136961501 WHCYSFJWZDXEFQ-JGVFFNPUSA-N 451.633 4.396 50 10 JIGE CC(=O)Nc1ccc(NC(=O)/C(C#N)=C\N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 216919515 MQVPGKDKLBAEAE-DAFNUICNSA-N 479.584 4.398 50 10 JIGE O=c1[nH]c2cc(Br)c([C@H](Br)c3ccoc3Br)cc2[nH]1 232483991 DDUTVPMHWSNREE-SNVBAGLBSA-N 450.912 4.459 50 10 JIGE N#CC1=C(N)n2c(sc(=Cc3cccc4ccccc34)c2=O)=C(C#N)[C@H]1c1cccc2ccccc12 252669536 HUXYJFFHJKHUAA-MHZLTWQESA-N 482.568 4.168 50 10 JIGE CCN(CCCBr)C(=O)c1ccc(I)c(Br)c1 721595026 RXVQAQUZQDDOGS-UHFFFAOYSA-N 474.962 4.301 50 10 JIGE Cc1ccc(OCC(=O)NNC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C4CC4)c23)cc1 727723872 VAAAWRGDPHWTAL-UHFFFAOYSA-N 460.465 4.055 50 10 JIGE C[C@H](NC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1)c1ccc2c(c1)CCC(=O)N2 918595948 IBJZVVMZXVBLOD-LUJYGJGBSA-N 464.529 4.133 50 10 JIGE CCOc1cc(C=NNC(=O)c2ccc(NC(C)=O)cc2)ccc1OC(=O)/C=C/c1ccccc1 1084018176 JCXIYZGOVWFODB-JOZVVEEXSA-N 471.513 4.426 50 10 JIGE C#CCOc1c(Br)cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc1CC=C 1084115123 FEISUJDTHYMCBC-NRFANRHFSA-N 455.352 4.154 50 10 JIGE Cc1nc2sccn2c1C(=O)NN=Cc1ccc(OCC(=O)Nc2ccccc2Cl)cc1 1084331490 ZOJBZIAJICGGMC-UHFFFAOYSA-N 467.938 4.139 50 10 JIGE CC(=O)N1CCN(C(=O)/C(C#N)=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)[C@@H](C)C1 1435474748 AIPLNEHFAATZGB-RPJLVFAOSA-N 459.377 4.387 50 10 JIGE CC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)NNc3ccc(Cl)cc3C)cc2)cc1 1644397144 XBWLHGNICNWNBR-UHFFFAOYSA-N 457.939 4.409 50 10 JIGE Cc1nc(-c2ccc(Cl)cc2)ccc1C(=O)NNC(=O)c1sc(-c2cnccn2)nc1C 1865755472 ACDWVUUXHBWXAC-UHFFFAOYSA-N 464.938 4.007 50 10 JIGE N#CSc1ccc(NC(=O)[C@@H](NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)c2ccccc2)cc1 1866870742 PYCFZSKGIUZSPN-DVECYGJZSA-N 470.554 4.109 50 10 JIGE CC[C@@](C)(NC(=O)Cc1nc(-c2ccc3c(c2)OCO3)oc1C)C(=O)Nc1ccc(SC#N)cc1 1867190906 HICGZONOQNUMJL-RUZDIDTESA-N 492.557 4.418 50 10 JIGE COc1cc(Br)cc(C[C@@H](Br)CN2C(=O)c3ccccc3C2=O)c1 1905372644 XTHXHKNQYCOCLC-CYBMUJFWSA-N 453.130 4.060 50 10 JIGE O=C(N[C@@H](CBr)C[C@@H]1CCCO1)c1c(Br)cccc1Br 1926737346 SWNQKIFQYIQQBB-ZJUUUORDSA-N 469.999 4.274 50 10 JIGE CC(CBr)(CBr)NC(=O)c1cc(Br)c(Cl)s1 1981401570 LCUAMURGIZYMEH-UHFFFAOYSA-N 454.409 4.442 50 10 JIGE C[C@H](Br)CCCNC(=O)c1ccc(Br)cc1I 2026218518 QVLBRXOZOGHKRO-QMMMGPOBSA-N 474.962 4.347 50 10 JIGE COc1cc(-n2nc(CBr)c(I)c2C(F)(F)F)c(C)cn1 2078916418 UJQRLIGYBWVVHC-UHFFFAOYSA-N 476.034 4.103 50 10 JIGE COc1cc(OC)cc(-n2nc(CBr)c(I)c2C(F)(F)F)c1 2079261128 XLCUJMVQKGEMJC-UHFFFAOYSA-N 491.045 4.408 50 10 JIGE O=C(N[C@H](CCCl)C(F)F)c1ccc(Br)cc1I 2086147390 MSVBYEZOQRPMIJ-SECBINFHSA-N 452.464 4.046 50 10 JIGE O=C(c1cccc(F)c1I)N1CC2(CCC2)C[C@H]1CBr 2151519571 ZSKXDSYLLNJPIT-JTQLQIEISA-N 452.105 4.210 50 10 JIGE C[C@H]1CN(S(=O)(=O)c2ccc(CBr)cc2F)[C@H](C)CN1Cc1ccccc1 2179785735 QENPWTWXKBJSRE-JKSUJKDBSA-N 455.393 4.004 50 10 JIGE Cc1ccc(CBr)cc1S(=O)(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 2179787344 NLWBNLWOTKHXLO-GOSISDBHSA-N 451.430 4.175 50 10 JIGE Cc1ccc(S(=O)(=O)N(C)[C@H]2C[C@H](C)N(Cc3ccccc3)C2)cc1CBr 2179791352 QAOMLCREHHDPPC-PXNSSMCTSA-N 451.430 4.173 50 10 JIGE Cc1cc(C(=O)N2[C@H]3CC[C@H]2[C@@H](F)[C@@H](Br)C3)ccc1I 2207096416 KHAONCXGPDJQSO-IMIFBBOLSA-N 452.105 4.078 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)NC[C@@H]1CCC[C@H]1Br 2277930793 FNJKDJIVQOPEGC-GXFFZTMASA-N 454.000 4.434 50 10 JIGE CS(=O)(=O)[C@H]1C[C@H]([C@@H](Br)Cc2cc(Br)cc(Br)c2)C1 2277957111 SKJLHOOXXIAHFG-XDTLVQLUSA-N 475.040 4.341 50 10 JIGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)C1=CNc1ccc(I)cc1 2297465586 HGDNCNMORKDOCY-UHFFFAOYSA-N 483.309 4.039 50 10 JIGE O=C(N[C@H]1C[C@H](CBr)[C@H]2C[C@@H]12)c1cc(Br)ccc1Br 2329877985 LOKCHAMTCPROQZ-HMMKDHSLSA-N 451.984 4.361 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1[C@H]2CC[C@H](C2)[C@@H]1CBr 2330984730 RHPPKBXDNDRDLY-DVYJOKAKSA-N 454.533 4.333 50 10 JIGE Cc1cc(C(=O)N/N=C2\C(=O)N(CCc3ccccc3)c3ccc(Br)cc32)c(C)o1 59160482 BHAZIKPNPLROBB-DAFNUICNSA-N 466.335 4.382 50 10 JIGE CCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C(C#N)=C/c2ccc(OCCC)cc2)c(OC)c1 206429302 CYSRCCVHBQAXKD-JFJYUCGMSA-N 473.529 4.430 50 10 JIGE COCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)c2ccccc2CCc2ccccc2)c(OC)c1 206430318 QDPNVCRPIYVCED-MOHJPFBDSA-N 484.552 4.369 50 10 JIGE O=C(NN=Cc1ccc(F)cc1)c1ccc(CN2c3cccc4cccc(c34)S2(=O)=O)cc1 254633770 QALFNNQOBWCEAH-UHFFFAOYSA-N 459.502 4.452 50 10 JIGE COc1ccc([C@H](Cl)c2cnn(C)c2I)c(OC)c1Br 381741546 BSPWKKBARSOHEJ-NSHDSACASA-N 471.520 4.133 50 10 JIGE CC[C@@H]1CN(S(=O)(=O)c2cc(Br)c(C)cc2Br)C[C@H]1Br 399894154 ZOWMGAIFMDOAGY-BXKDBHETSA-N 490.055 4.314 50 10 JIGE C[C@H](Br)[C@H]1CCCN(S(=O)(=O)c2cc(Br)ccc2Br)C1 688939840 VLYLPNZVCGRUJZ-UWVGGRQHSA-N 490.055 4.396 50 10 JIGE N#CCCn1cc(/C=C(/C#N)C(=O)N2CCC[C@@H](n3ccnc3)C2)c(-c2ccc(Cl)cc2)n1 728541297 GILXWILTFUKXIV-DUBROFONSA-N 459.941 4.084 50 10 JIGE CC(=O)Nc1cccc(CNC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)c1 915287120 BKNGMADVWBPTOC-MOSHPQCFSA-N 472.936 4.299 50 10 JIGE O=C(NN=Cc1cc(Br)cc(Br)c1O)c1nc2ccccc2s1 1084593380 APLJXYJVVBHIBJ-UHFFFAOYSA-N 455.131 4.291 50 10 JIGE O=C(NNc1nc(NCc2cccc(Cl)c2)nc(NC2Cc3ccccc3C2)n1)c1ccco1 1088703208 MIHJSRPPSVLNSD-UHFFFAOYSA-N 475.940 4.066 50 10 JIGE COc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2O)CCC3)c(OC)c1 1772751507 DUODTCOFDHSQDI-UHFFFAOYSA-N 463.490 4.034 50 10 JIGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(OC)c1)C(C#N)=C(N)O2 1865705659 BEDGFMCMWKYLTE-OAQYLSRUSA-N 450.926 4.470 50 10 JIGE CSCC[C@@H](NC(=O)c1cc(C)n(-c2ccccc2)n1)C(=O)Nc1ccc(SC#N)cc1 1866840767 SSXMUFMYTQTZBB-HXUWFJFHSA-N 465.604 4.244 50 10 JIGE CCC[C@H](NC(=O)c1cc(-c2cccc(OC)c2)on1)C(=O)Nc1ccc(SC#N)cc1 1867143326 GZZBIIIJYCFLRP-IBGZPJMESA-N 450.520 4.461 50 10 JIGE COc1cc(OC)c(OC)cc1/C=C1\Oc2c(ccc(OC(=O)C(Cl)Cl)c2C)C1=O 1871386290 NQQBBGLXENVUHU-IUXPMGMMSA-N 453.274 4.346 50 10 JIGE CN(C[C@@H]1C[C@H]1Br)C(=O)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 1897165500 DABPCFHTQDDJGX-YCRNBWNJSA-N 481.431 4.072 50 10 JIGE O=C(c1csc(I)c1)N(CCBr)Cc1cccs1 2051445548 LWRHISJTOWFJEK-UHFFFAOYSA-N 456.168 4.452 50 10 JIGE COc1cc(F)c([C@@H](Br)c2cc(I)sn2)cc1OC 2120031981 LHHWGKQNTDFFSL-GFCCVEGCSA-N 458.090 4.388 50 10 JIGE C[C@H]1[C@@H](C)N(S(=O)(=O)c2cc(CBr)cs2)C[C@@H](C)N1Cc1ccccc1 2123243193 GTLDGXBNXAJZBQ-OWCLPIDISA-N 457.459 4.315 50 10 JIGE C#CC[C@](C)(CCl)CNC(=O)c1ccc(Br)cc1I 2142281513 RCUKVBPPPUUNDN-CQSZACIVSA-N 454.533 4.052 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CC[C@H](CCl)C(F)(F)C1 2146382043 DSDFBTLTLHEDFH-MRVPVSSYSA-N 478.502 4.390 50 10 JIGE CCCN([C@@H]1CCSC1)S(=O)(=O)c1cc(CBr)sc1Br 2179785971 SYTGYWGNIHWWNL-SECBINFHSA-N 463.282 4.312 50 10 JIGE C[C@@]1(C2CC2)CN(S(=O)(=O)c2cc(CBr)cs2)CCN1Cc1ccccc1 2179823187 GPYYGDSJHPHLJM-FQEVSTJZSA-N 469.470 4.318 50 10 JIGE O=S1(=O)C[C@H]2C([C@@H](Br)c3c(Br)cc(F)c(Cl)c3F)[C@@H]2C1 2201620514 BUIZVOBYRQVPGO-FJNYAOGASA-N 450.526 4.107 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@@H](Br)C[C@@H](F)C1 2219185308 VWIMQRHFWQXSJL-JGVFFNPUSA-N 490.936 4.001 50 10 JIGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1C[C@@H](F)C[C@@H](Br)C1 2234679328 KTMHGTOPJVDLHY-SFYZADRCSA-N 469.985 4.252 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N1CC[C@@H](CCBr)C1 2277933215 QBEWLVJSPZBTRJ-SNVBAGLBSA-N 454.000 4.388 50 10 JIGE O=S1(=O)CCC([C@@H](Br)Cc2cc(Br)cc(Br)c2)CC1 2277950586 WWTKBCLBOVWURI-ZDUSSCGKSA-N 475.040 4.342 50 10 JIGE C[C@@H](Br)COCc1cn(Cc2cccc(Br)c2Br)nn1 2295803395 ZIGPJGYAPSMQKZ-SECBINFHSA-N 467.987 4.151 50 10 JIGE CCCOc1c(I)cc(C=C(C#N)C(=O)NCc2ccccc2)cc1OC 2313518472 FHOGORUBORFHJV-UHFFFAOYSA-N 476.314 4.312 50 10 JIGE Clc1ccc(CN2CCO[C@@H]3C[C@H](CBr)C[C@@H]32)c(I)c1 2366714469 IYBZVKAANPMKIK-WKPIXPDZSA-N 470.576 4.319 50 10 JIGE Cc1ccc(OCC(=O)NNC(=O)c2cccc(OCCc3ccccc3)c2)c(Br)c1 10331443 YTRQUJFKYVMGQH-UHFFFAOYSA-N 483.362 4.219 50 10 JIGE Cc1ccc(NC(=O)CCC(=O)NNC(=O)[C@H](C)Oc2c(C)cc(Br)cc2C)cc1C 14643212 IETJVEICIIDUBL-KRWDZBQOSA-N 490.398 4.016 50 10 JIGE CCCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccccc1Cl 14649845 NLVIWHYXHAMVHI-UHFFFAOYSA-N 455.736 4.121 50 10 JIGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(OC)c(OC)c(OC)c4)ccc32)cc1 38650328 XIRMORIAAHDXMR-DEOSSOPVSA-N 488.496 4.158 50 10 JIGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(F)c(F)c(F)c(F)c3F)ccc2[C@H]1c1ccco1 38657577 NNTIROJQKCWLNP-OAHLLOKOSA-N 478.329 4.178 50 10 JIGE CCOC(=O)c1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2ccccc2)CCC3)cc1 40815799 WRYIQDHXSKJYKG-XHLNEMQHSA-N 473.529 4.416 50 10 JIGE N#Cc1cc(I)c(OCC2(CBr)CCC2)c([N+](=O)[O-])c1 96870701 DWJBZLQBLPLWQA-UHFFFAOYSA-N 451.058 4.015 50 10 JIGE CCNC(=S)C=NNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1 254840010 TZMKBESBYLOTAC-UHFFFAOYSA-N 480.663 4.363 50 10 JIGE O=C(Cl)c1c(Br)cc(I)cc1I 575687128 SKGPRBQJBSYPPS-UHFFFAOYSA-N 471.257 4.037 50 10 JIGE CO[C@@]1(c2cc(OP(=O)(O)O)ccc2Cl)OO[C@@]12[C@H]1C[C@H]3C[C@@H]2C[C@@](Cl)(C3)C1 605691682 NOXRGRGCSIAHSL-QGAPBXOMSA-N 451.239 4.129 50 10 JIGE O=C(NC[C@]1(CBr)CCCOC1)c1cc(Br)c(Br)s1 700890307 JYGUBQWKRMITLD-GFCCVEGCSA-N 476.028 4.195 50 10 JIGE Cc1cc(/C=C(\C#N)C(=O)OCC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)c(C)n1-c1ccccc1F 728087003 PLRUTDHBZQZQTP-MLHZQLSASA-N 487.487 4.286 50 10 JIGE CCc1ccc(-c2ccc(C(=O)NNC(=O)[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)c(C)n2)cc1 1865759032 ZGFFGRANXWLOJC-HXUWFJFHSA-N 466.582 4.028 50 10 JIGE N#C/C(=C(/O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1nc(-c2cccc(Cl)c2)cs1 1872748106 IQRFELSGSWHCMP-VLGSPTGOSA-N 466.862 4.461 50 10 JIGE C[C@H](Cl)[C@H](NC(=O)c1cc(Br)ccc1I)C(F)(F)F 1882675079 QLTHKQUDBHGKAF-CDUCUWFYSA-N 470.454 4.342 50 10 JIGE CCC[C@@H](CBr)Cn1c(C)nc(I)c1I 1928097446 GWJGKYDUEBULEO-QMMMGPOBSA-N 496.956 4.212 50 10 JIGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N(Cc1ccccc1)C1(CCl)CCC1 1978676133 JBKVLUXJTRBPOD-HSZRJFAPSA-N 493.000 4.004 50 10 JIGE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)C1NCCSSCCNC(=O)OC(C)(C)C 1985346688 GNZJUZIPAZXWGQ-HOTGVXAUSA-N 463.710 4.374 50 10 JIGE CCOc1cc(I)c(I)c(CBr)c1 2060222774 YOCNIPFHQMOMLO-UHFFFAOYSA-N 466.882 4.189 50 10 JIGE CC(C)(CNC(=O)c1c(Br)cccc1Br)OCCBr 2094089069 SHIFUSHLQXPEDI-UHFFFAOYSA-N 457.988 4.132 50 10 JIGE O=S(=O)(c1cc(CBr)sc1Br)N1CCC(Cl)=C(Cl)C1 2123198562 FVKFWIJIOFXOBJ-UHFFFAOYSA-N 470.035 4.489 50 10 JIGE O=C(Cc1ccccc1I)NC[C@@H]1CCCC[C@H]1CBr 2143868611 PXEKSMXRCHJKBF-KBPBESRZSA-N 450.158 4.151 50 10 JIGE CC[C@H]1CN(S(=O)(=O)c2cc(CCl)ccc2Br)CCN1Cc1ccccc1 2152174713 ZQHBSHJVNAPZEZ-SFHVURJKSA-N 471.848 4.473 50 10 JIGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1CC([C@H](F)CBr)C1 2166901631 VPCXEKSNUSYNAP-SNVBAGLBSA-N 469.985 4.109 50 10 JIGE Cc1sc(CBr)cc1S(=O)(=O)N(C)C[C@@H]1CCCN(Cc2ccccc2)C1 2179823710 MQCRPWSONAWWEL-SFHVURJKSA-N 471.486 4.484 50 10 JIGE C[C@@H]1CN(C(=O)c2ccc(Cl)c(I)c2)C[C@]1(C)CBr 2268346131 PEXFIJFGQUSUOJ-OTYXRUKQSA-N 456.549 4.438 50 10 JIGE C[C@@H]1[C@@H](Br)CCN(c2ncc(I)cc2Br)[C@H]1C 2304181182 FYHUENDSSNDESO-NRPADANISA-N 473.978 4.447 50 10 JIGE O=C(N[C@H]1C[C@@H](CBr)[C@@H]2C[C@@H]12)c1cc(Br)sc1Br 2309231102 XRPBXKPBHAJKON-LKHWLPBLSA-N 458.013 4.422 50 10 JIGE C=CCc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCC#N 2313566936 DUPCOZZVEZBDLI-UHFFFAOYSA-N 491.389 4.336 50 10 JIGE CCOC(=O)COc1c(Cl)cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1Cl 2313567685 MJAPNCBEMAGJGZ-UHFFFAOYSA-N 488.371 4.191 50 10 JIGE CN(CC[C@H](Cl)c1cccs1)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2366242833 WJDMMOZNVQHGCJ-KRWDZBQOSA-N 469.028 4.002 50 10 JIGE O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)CCC(=O)OCCCc1ccccc1 13998662 UVVSGMGLYODBRY-UHFFFAOYSA-N 481.376 4.256 50 10 JIGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)[C@H](C)Oc3ccc(Cl)cc3)cc2)c1 14007313 SSFSCAXIJJXNSO-INIZCTEOSA-N 451.910 4.129 50 10 JIGE C=CCOc1ccccc1C(=O)NNC(=O)COc1ccc2ccccc2c1Br 14023702 CIILCRYTEJXBAX-UHFFFAOYSA-N 455.308 4.007 50 10 JIGE CCc1ccc(O[C@H](C)C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 14039937 GUCIEAOQOJZKAR-OAHLLOKOSA-N 477.399 4.303 50 10 JIGE CCCOc1ccc(Br)cc1C(=O)NNC(=O)CCC(=O)Nc1ccc(C)cc1C 14652660 MPDNYVCOVIFUEX-UHFFFAOYSA-N 476.371 4.035 50 10 JIGE COC(=O)c1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccccc1C)CCC2 40811519 HYZLQUWDVOGFBD-VFCFBJKWSA-N 459.502 4.406 50 10 JIGE COc1cc(/C=N/NC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)cc(Br)c1O 100437475 LOGFFWRUILFIHD-LSFURLLWSA-N 489.153 4.339 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2CCC[C@@H](Br)C2)cc1Br 158639436 QQIHJRATVMHKQF-SECBINFHSA-N 476.028 4.068 50 10 JIGE CC(=O)OCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cc(C)ccc2C)C1=O 214420186 WPDRMIHOYKBNTN-MYYYXRDXSA-N 494.551 4.312 50 10 JIGE CSc1ccc(C=NNC(=O)/C(=C/c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)cc1 254871023 MAUUXSDYYHDJBS-MPQOAYRZSA-N 459.527 4.058 50 10 JIGE CC[C@@H](Br)[C@@H](C)NS(=O)(=O)c1cc(Br)c(C)cc1Br 386693036 KURKNSLPYVZQHL-RKDXNWHRSA-N 478.044 4.360 50 10 JIGE C[C@H](Br)c1ccccc1NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703967189 NIWNIBGLYZGAAO-AWEZNQCLSA-N 479.396 4.207 50 10 JIGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2cccc(Cl)c2)cc1)Nc1cccc(Cl)c1 725381789 AQSMPTPEVNTQBS-UHFFFAOYSA-N 485.327 4.100 50 10 JIGE COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NC3CCN(C(=O)CC(F)(F)F)CC3)c2C)cc1 726947618 DFRXFXWFEVLGLH-UYRXBGFRSA-N 488.510 4.069 50 10 JIGE COc1ccc(C(=O)NNC(=O)N[C@H](C)c2sc(-c3ccc(C)cc3)nc2C)c(OC)c1 730830387 OMDCKMDETDPERJ-OAHLLOKOSA-N 454.552 4.149 50 10 JIGE N#CCCn1cc(/C=C(\C#N)C(=O)NCCCOC2CCCC2)c(-c2ccc(Cl)cc2)n1 747135398 DDBAPJDRURAHOR-XDJHFCHBSA-N 451.958 4.490 50 10 JIGE CCC(C)(C)NC(=O)[C@@H](C)OC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1 854206673 BPWNTZSDEKHPEX-OKSBFYSISA-N 467.957 4.261 50 10 JIGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3cc(Br)ccc3O)cc2)cc1 1081086796 MUMHWZUWXGZEGT-UHFFFAOYSA-N 469.291 4.146 50 10 JIGE COC(=O)c1ccc(C)c(-c2ccc(/C=C(\C#N)C(=O)N3CCN(c4ccccc4)CC3)o2)c1 1083949776 SRDJCWKCCMZBJJ-LTGZKZEYSA-N 455.514 4.297 50 10 JIGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)NN=C(C)c1cccnc1 1083987697 DFQQTCQGNXHRLZ-UHFFFAOYSA-N 471.590 4.257 50 10 JIGE CC(C)(C)OC(=O)Nc1ccc(CNS(=O)(=O)c2ccc(CBr)cc2)cc1 1260511313 ZGVGXQAYNLRRMZ-UHFFFAOYSA-N 455.374 4.407 50 10 JIGE CC(=O)c1oc2cc(C)ccc2c1CC(=O)NNC(=O)CCCOc1ccc(Cl)cc1C 1650647760 IGMKHIAXMHYMMM-UHFFFAOYSA-N 456.926 4.455 50 10 JIGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)c(OC)c1 1865708374 VOJRPMSRZRZFKB-GOSISDBHSA-N 474.414 4.325 50 10 JIGE CC[C@@H](NC(=O)Cc1csc(COc2ccccc2)n1)C(=O)Nc1ccc(SC#N)cc1 1866590576 BQSPSMIGLPHIFR-HXUWFJFHSA-N 466.588 4.371 50 10 JIGE CC[C@@H]1CN(c2ncc(I)cc2Br)C[C@@H]1Br 1988533460 VVTOGURUHUKGTQ-XCBNKYQSSA-N 459.951 4.058 50 10 JIGE C[C@@H](Br)[C@@H]1CCN(c2ncc(I)cc2Br)C1 1988535369 XBAMTCHWZXQQSR-HTQZYQBOSA-N 459.951 4.058 50 10 JIGE CCN(C[C@H](C)Br)C(=O)c1ccc(Br)cc1I 2026222372 XQEDCKUJLNUDOE-QMMMGPOBSA-N 474.962 4.299 50 10 JIGE C[C@H]1C[C@@H]1N(CCBr)C(=O)c1cc(Br)ccc1I 2048203391 AZVAGQINFNWELT-UFBFGSQYSA-N 486.973 4.299 50 10 JIGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CCC[C@@](F)(CBr)C1 2101307942 IUXVQULUJQIKFL-SNVBAGLBSA-N 455.596 4.052 50 10 JIGE O=C(c1scc(Br)c1Br)N1C[C@@H](CBr)OCC12CC2 2127556533 WCLGOLKUAOFTJG-SSDOTTSWSA-N 474.012 4.042 50 10 JIGE FC(F)(F)[C@@H]1CN(c2ncc(I)cc2Br)C[C@@H]1CCl 2133385993 ZIDRPWDSCKSCMP-POYBYMJQSA-N 469.470 4.302 50 10 JIGE CC(C)C[C@](C)(CNC(=O)OC(C)(C)C)NS(=O)(=O)c1ccc(CBr)cc1 2162591776 NXHNDELDGDRWDT-LJQANCHMSA-N 463.438 4.189 50 10 JIGE CC(C)(C)OC(=O)N1CCN(CC2(CBr)CCC2)CCN(C(=O)OC(C)(C)C)CC1 2211438848 SFKQHWLLNCPIBR-UHFFFAOYSA-N 490.483 4.341 50 10 JIGE Cn1ncc([C@@H](Br)c2ccc3c(c2Br)CCO3)c1Br 2229745466 CEWQJEJIPCZCGP-LBPRGKRZSA-N 450.956 4.364 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1C[C@@H]2CC[C@@]2(CBr)C1 2268355077 XXXCNNSHBMFUHY-IINYFYTJSA-N 454.533 4.192 50 10 JIGE Cc1ncc2nc(CCCl)n(CC3(N(Cc4ccccc4)Cc4ccccc4)COC3)c2n1 2271077754 FPANQBIEOKQTFC-UHFFFAOYSA-N 461.997 4.387 50 10 JIGE CC[C@H]1[C@H](Br)CCN1S(=O)(=O)c1cc(Br)ccc1Br 2273188086 ADXXXOAJTGFQLC-KOLCDFICSA-N 476.028 4.148 50 10 JIGE C=CCOC(=O)[C@H](Cc1ccc(OC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1)NC(=O)OC(C)(C)C 2295064072 JTMQSECRUAJNAB-FQEVSTJZSA-N 486.477 4.338 50 10 JIGE CCOc1ccc(NC(=O)C(C#N)=Cc2c(N3CCC[C@H](C)C3)nc3c(C)cccn3c2=O)cc1 2297470123 FBHKEJNUYJVSMN-SFHVURJKSA-N 471.561 4.184 50 10 JIGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C(C)C)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 2314610749 LWQUYKSMTGYAHQ-UHFFFAOYSA-N 497.511 4.457 50 10 JIGE COc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1ccc(Br)cc1 2314739102 ZWVOGMMHSWHBBP-UHFFFAOYSA-N 481.302 4.493 50 10 JIGE Cc1ccc(C(=O)NNC(=O)COc2ccc(C(C)C)cc2Br)cc1Br 12489226 NWQZSERFRPARGU-UHFFFAOYSA-N 484.188 4.483 50 10 JIGE Cc1ccc2c(Nc3ncnc(NNC(=O)COc4ccc(Cl)cc4Cl)c3N)cccc2n1 40795632 USZVVQWYBJYKGB-UHFFFAOYSA-N 484.347 4.488 50 10 JIGE CCCCOc1ccc(CCC(=O)Oc2ccc(/C=C(\C#N)C(N)=O)cc2OC)cc1OCC 54624773 CXPHUMMIPFGYJR-XSFVSMFZSA-N 466.534 4.203 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2CCC[C@H](Br)C2)cc1Br 158639302 QQIHJRATVMHKQF-VIFPVBQESA-N 476.028 4.068 50 10 JIGE CCOC(=O)CN1C(=O)C(=NNC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)c2ccccc21 254312763 RREITUHDECYEOO-UHFFFAOYSA-N 493.604 4.209 50 10 JIGE CC1(C)CC(=O)CC(=NNC(=O)c2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)C1 254391646 OOSUZLUOTWXBMU-UHFFFAOYSA-N 492.395 4.115 50 10 JIGE O=C(NN=Cc1ccncc1)c1cc2n(n1)[C@@H](C(F)(F)C(F)(F)F)C[C@H](c1ccc(F)cc1)N2 254837605 HZYKHPFSSQRAPV-NVXWUHKLSA-N 482.388 4.477 50 10 JIGE COc1cccc(C(=O)NN=Cc2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)c1 254844000 FKSISJRPZJEQEC-UHFFFAOYSA-N 466.406 4.076 50 10 JIGE C/C(=C(/C#N)P(=NN=Nc1ccccc1)(N1CCOCC1)N1CCOCC1)N1CCCC1 263631671 SNONBDNAVMNJKT-UHESEMBJSA-N 457.519 4.232 50 10 JIGE COc1ccc(NC(=O)C(=O)NN=Cc2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)cc1 725447655 WUNRDQHEFCJCKB-UHFFFAOYSA-N 459.333 4.498 50 10 JIGE CN(C)C(=O)c1cccc(CNC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)c1 914740714 GIFYNLLQOFQVOC-STZFKDTASA-N 486.963 4.042 50 10 JIGE C=CCOc1c(I)cc(C=NNC(=O)c2cc3ccccc3o2)cc1OC 1084385172 DZPBDRNPBSLPSG-UHFFFAOYSA-N 476.270 4.375 50 10 JIGE C#CCn1cc(CNC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)cn1 1156662118 XPHWMQISUWUKJV-JMIUGGIZSA-N 451.452 4.166 50 10 JIGE CCc1cccc(C)c1N1C[C@H](C(=O)NNC(=O)c2ccc(-c3ccc(C)cc3)nc2C)CC1=O 1865757851 XWSSIDJZTWGCDZ-JOCHJYFZSA-N 470.573 4.050 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2CC[C@H](Br)[C@H]2C)cc1Br 1914423745 NVPQEEDIIKPMSO-BDAKNGLRSA-N 476.028 4.066 50 10 JIGE Cc1nc(I)c(I)n1CC[C@H](C)CCCl 1928099602 ZOQBVSUHSOHGTC-SSDOTTSWSA-N 452.505 4.056 50 10 JIGE CCC[C@@H](Br)CNC(=O)c1ccc(Br)cc1I 2026219013 UEKCENYESIZAGD-SECBINFHSA-N 474.962 4.347 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CCCC[C@H](Br)C1 2050107560 GFULOQUSXSEGSP-VIFPVBQESA-N 486.973 4.443 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@H]2C[C@H](Br)[C@H]1C2 2057057814 UYVMHTIOERLLNU-VIRWGQHYSA-N 484.957 4.052 50 10 JIGE O=C(N[C@H](CBr)C1CCC1)c1ccc(Br)cc1I 2086138771 GDIROWWREIKERP-GFCCVEGCSA-N 486.973 4.347 50 10 JIGE C[C@@H]1C[C@H](N(C)S(=O)(=O)c2cc(CCl)oc2Br)CN1Cc1ccccc1 2098610421 YYJKFUUWGNZGRM-HIFRSBDPSA-N 461.809 4.064 50 10 JIGE CN(CC1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1csc(CBr)c1 2123236474 HYOGVPKSYQCVRU-UHFFFAOYSA-N 457.459 4.176 50 10 JIGE CC(F)(F)C[C@@H](CCl)NC(=O)c1ccc(Br)cc1I 2142288966 WOIHTNXBTQVNDN-QMMMGPOBSA-N 466.491 4.436 50 10 JIGE CO[C@@]1(CBr)CCCN(C(=O)c2c(Br)cccc2Br)C1 2150493926 OFLRFBMHMWQSLJ-CQSZACIVSA-N 469.999 4.228 50 10 JIGE O=C(c1cc(I)ccc1F)N1[C@H]2CC[C@H]1CC(CBr)C2 2169661720 JYABRUHRCZGCRV-RYUDHWBXSA-N 452.105 4.208 50 10 JIGE COc1ccc(Br)c(CNCCSSCCNC(=O)OC(C)(C)C)c1O 2227750977 LCMALRBWKCRQHQ-UHFFFAOYSA-N 467.451 4.159 50 10 JIGE CS(=O)(=O)[C@H]1C[C@H]([C@H](Br)c2ccc(Br)cc2Br)C1 2257626190 BEFMDXNPDPODPM-DXBFQKDVSA-N 461.013 4.471 50 10 JIGE Cc1cccc(C[C@H]2SC(=C(C#N)C(=O)NCc3ccco3)N(c3ccc(F)cc3)C2=O)c1 2293039293 YUTDUNGJDPVDJC-JOCHJYFZSA-N 461.518 4.470 50 10 JIGE CCn1cc(C=C(C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c2ccccc21 2295672245 GGOJEDMLSRGIBV-UHFFFAOYSA-N 477.571 4.464 50 10 JIGE CCCCOC(=O)c1ccccc1NC=C(C#N)C(=O)N[C@H](C)c1ccc(OC)c(OC)c1 2325045215 SBISWKCXBSQHHM-QGZVFWFLSA-N 451.523 4.357 50 10 JIGE C[C@H](C(O)=C(C#N)c1nc(-c2ccc3c(c2)OCCO3)cs1)N1C(=O)c2ccccc2C1=O 2331330061 PZVYJJHSAKXRHV-CYBMUJFWSA-N 459.483 4.059 50 10 JIGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H](CCBr)C1CCCC1 2364218297 YNPWNKNHWHVQHP-FQEVSTJZSA-N 499.471 4.106 50 10 JIGE CCc1ccc(OCC(=O)NNC(=O)COc2ccc(-c3ccccc3)cc2)c(Br)c1 13981631 OFIQTGWLOIYULF-UHFFFAOYSA-N 483.362 4.284 50 10 JIGE CCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 14029698 YRPRYSZCNHYKBY-UHFFFAOYSA-N 478.014 4.240 50 10 JIGE CC(C)Oc1ccc(C(=O)NNC(=O)COc2ccc3ccccc3c2Br)cc1 14038827 AMNOBVFPGYJTMV-UHFFFAOYSA-N 457.324 4.230 50 10 JIGE CC(C)(CCl)C(=O)N1CCN(C(=O)CCN2CCc3sccc3[C@H]2c2cccc(F)c2)CC1 34830473 BPTVZIDRVZCBQK-HSZRJFAPSA-N 492.060 4.161 50 10 JIGE COc1ccc(C(=O)Oc2ccccc2/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1 35079947 UDXSNOHQBBDGDP-AQTBWJFISA-N 473.441 4.377 50 10 JIGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)CC3CCCC3)cc2)cc1 100431709 HJSGFTIMPWKRNV-UHFFFAOYSA-N 480.634 4.452 50 10 JIGE CCCCCCOc1ccc(/C=C2\C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)cc1OC 103003609 KOVIGLFLFSBGKA-QNGOZBTKSA-N 468.550 4.200 50 10 JIGE CCC(=O)O[C@@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 137517809 WWKWSAYUTWRZKP-FXCUABFFSA-N 468.993 4.327 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2CCCC[C@H]2CBr)cc1Br 155824898 KBMXTKKGKDRIHV-JTQLQIEISA-N 490.055 4.458 50 10 JIGE CC(C)[C@H](Br)C(=O)Nc1ccc(I)cc1Br 300907826 DUZNJAQLUKUFFC-JTQLQIEISA-N 460.935 4.412 50 10 JIGE C#CCN(C(=O)NC[C@]1(C)C[C@@H]1Br)[C@H]1CCOc2ccc(Br)cc21 1233587591 ZXZCGDPDBHVSDJ-ZVZYQTTQSA-N 456.178 4.091 50 10 JIGE Cc1ccc2c(c1)C(=NNC(=O)COc1ccc(Br)cc1)C(=O)N2CCC(C)C 1772720301 ISYWORWGRCPZHK-UHFFFAOYSA-N 458.356 4.050 50 10 JIGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(OC)c(O)c1)C(C#N)=C(N)O2 1865682150 HLKLSKDKBWDWDZ-NRFANRHFSA-N 450.926 4.470 50 10 JIGE CCCc1nn(CC)c2c1[C@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865701323 SGXCLLHLOKKEMG-CQSZACIVSA-N 482.176 4.304 50 10 JIGE CC(C)c1cc(C(C)C)cc(N2C[C@H](C(=O)N3CCC[C@H](C(=O)NNc4ccccn4)C3)CC2=O)c1 1872960034 AGOKCHMNNIPBSP-NZQKXSOJSA-N 491.636 4.063 50 10 JIGE CN(C[C@H]1C[C@@H]1Br)C(=O)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 1887823896 TWBAACJGJDHULN-VNQPRFMTSA-N 490.236 4.127 50 10 JIGE C[C@H](Br)CN(Cc1ccccc1)C(=O)c1ccc(I)c(O)c1 1914607523 KXOXWYHZRJGPFK-LBPRGKRZSA-N 474.136 4.423 50 10 JIGE Cc1nc(I)c(I)n1C[C@H](CBr)C(C)C 1928097007 CXNSQPSPZMJITH-QMMMGPOBSA-N 496.956 4.068 50 10 JIGE Brc1cc(I)cnc1N1CC[C@H](Br)C2(CC2)C1 2015768806 YBTFYMMPTYVKJZ-JTQLQIEISA-N 471.962 4.203 50 10 JIGE C[C@@]1(NC(=O)c2ccc(I)c(Br)c2)CCC[C@H]1Br 2062594336 PRHINUUGVLDKLS-DGCLKSJQSA-N 486.973 4.490 50 10 JIGE CN(C[C@H]1C[C@@H](Br)C1)[C@@H](CN)c1scc(Br)c1Br 2076250866 QTVWSPHHWYJVSQ-XKSSXDPKSA-N 461.061 4.378 50 10 JIGE C#CC[C@](C)(CBr)CNC(=O)c1csc(Br)c1Br 2084842592 PUZLRYORIDSIKI-GFCCVEGCSA-N 458.013 4.427 50 10 JIGE C[C@H]1CN(C(=O)c2cc(Cl)ccc2I)CC[C@@H]1CBr 2109030073 CJDUCVNGLLJMRL-VHSXEESVSA-N 456.549 4.438 50 10 JIGE Brc1cccc(Br)c1CN1C[C@H]2COC[C@@H](C1)C2Br 2111473436 JECGBVQMGFMTPA-XFLKPENQSA-N 454.000 4.053 50 10 JIGE Cc1sc(CBr)cc1S(=O)(=O)N1C[C@H](C)N(Cc2ccccc2)C[C@H]1C 2123232133 MKPNHPBLLBPHHA-LSDHHAIUSA-N 457.459 4.235 50 10 JIGE O=C(N[C@@]12CC[C@@](CBr)(C1)OC2)c1cc(Br)c(Br)s1 2133656775 AGHNQOOTVFILJU-RYUDHWBXSA-N 474.012 4.090 50 10 JIGE C[C@@H](Br)C[C@@H]1CCCCN1C(=O)Cc1ccccc1I 2143869353 YBIXEKPKOXJFGO-OCCSQVGLSA-N 450.158 4.388 50 10 JIGE CC(C)n1cc(S(=O)(=O)N(C)[C@H]2CC[C@@H]2OCc2ccccc2)cc1CBr 2179859219 AAAFKZKIKRUICZ-PMACEKPBSA-N 455.418 4.332 50 10 JIGE O=C(N[C@H](CBr)[C@H]1CC=CCC1)c1cccc(F)c1I 2196161332 WZILNVBSCSTDTF-GXFFZTMASA-N 452.105 4.280 50 10 JIGE Cn1nc(Br)c([C@@H](Br)c2c(Br)cc(F)c(F)c2F)n1 2226986851 LTLILQHMMQAEES-LURJTMIESA-N 463.877 4.242 50 10 JIGE C[C@@H]1C[C@H](Br)[C@@H](C)N(S(=O)(=O)c2cc(Cl)c(Br)s2)C1 2227597158 DHJWWUOLYGJXJK-PRJMDXOYSA-N 451.633 4.347 50 10 JIGE O=S(=O)(N[C@@]1(CBr)C[C@H]2CC[C@H]1C2)c1cc(Cl)c(Br)s1 2283855804 WAFQDNZIADRBRK-YVZVNANGSA-N 463.644 4.396 50 10 JIGE COc1c(Br)cc(C)c([C@H](Br)C2CS(=O)(=O)C2)c1Br 2339656746 QPIQLXZMFYQSFF-SNVBAGLBSA-N 477.012 4.009 50 10 JIGE COc1ccc([C@H](Br)c2c(Br)ncn2C)c(OC)c1Br 2362431589 GJNFHJPTCUQNOW-VIFPVBQESA-N 468.971 4.447 50 10 JIGE CCc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)NC)N(c3ccc(Br)cc3)C2=O)cc1 2438487 BIQQWYJGESHKBV-ODUYVQIQSA-N 470.392 4.184 50 10 JIGE CCCCCCOc1ccc(C(=O)NNC(=O)c2ccc(NC(C)=O)cc2)cc1Br 14640677 UNOMYPWFSILFOV-UHFFFAOYSA-N 476.371 4.441 50 10 JIGE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OC)cc2OC)cc1 38657210 QQFFGTAYZPMTKZ-AREMUKBSSA-N 472.497 4.079 50 10 JIGE COc1cccc(NC(=O)/C(C#N)=C/c2c(Oc3ccccc3)nc3c(C)cccn3c2=O)c1 39992812 JYVQAPXCHGAGKZ-NBVRZTHBSA-N 452.470 4.350 50 10 JIGE Nc1c(NNC(=O)c2ccccc2Br)ncnc1Oc1ccc(Br)cc1 40785054 YWFOBRPTPLBNLP-UHFFFAOYSA-N 479.132 4.133 50 10 JIGE COc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2OC)cc1OC 40890407 OUZUXIPDUMOCIX-DFMPKFEDSA-N 488.496 4.148 50 10 JIGE C[C@H](Br)CCN(C)S(=O)(=O)c1cc(Br)ccc1Br 135769697 WURSLBOBHLVKOT-QMMMGPOBSA-N 464.017 4.006 50 10 JIGE C[C@H](Br)C[C@H](C)NS(=O)(=O)c1cc(Br)ccc1Br 228247403 LDXSTODFPRBYST-YUMQZZPRSA-N 464.017 4.052 50 10 JIGE Cc1nn(-c2ccccc2)c(N(C)C)c1/C=N/NC(=O)CCCNc1ccc(Br)cc1 253566854 JLSWIDUWHDOZNE-WGOQTCKBSA-N 483.414 4.352 50 10 JIGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(F)cc3)n2-c2ccccc2)cc1OC 254516247 CTHPFRGZQGQJFK-UHFFFAOYSA-N 491.548 4.333 50 10 JIGE CCn1c(Sc2ccc([N+](=O)[O-])cc2C=NNC(=O)c2ccncc2)nnc1-c1ccccc1 254697901 BKPHLIQUFAXLKI-UHFFFAOYSA-N 473.518 4.183 50 10 JIGE C[C@@H](Br)c1cn(-c2cc(Br)ccc2I)nn1 300885375 AOTDAVFTCGPWHQ-ZCFIWIBFSA-N 456.907 4.090 50 10 JIGE CC(C)(C)[Si](O[C@H]1C=CO[C@@H](COC(=O)c2ccccc2)[C@@H]1O)(c1ccccc1)c1ccccc1 616587592 KHVKFQYBXKAWHO-GMQQYTKMSA-N 488.656 4.062 50 10 JIGE CC(=NNC(=O)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1)c1ccc2c(c1)NC(=O)CO2 744652585 HCXGBHOEOKYGQU-UHFFFAOYSA-N 490.519 4.485 50 10 JIGE N#CCCn1cc(/C=C(/C#N)C(=O)OCC(=O)c2ccc3c(c2)OCO3)c(-c2ccc(Cl)cc2)n1 782091119 BUEIUMIEYCLSGJ-ZDLGFXPLSA-N 488.887 4.179 50 10 JIGE CC(C)c1ccc([C@@H](NC(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)c2cccs2)cc1 916205345 GGIGJSCPHZDARH-JOCHJYFZSA-N 475.574 4.496 50 10 JIGE COc1cc(C=NNC(=O)c2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc(OC)c1OC 1082753934 YMHKSJKOCPJGIX-UHFFFAOYSA-N 467.909 4.382 50 10 JIGE COC(=O)c1ccccc1N(C)C(=O)c1oc2c(c1C)C(=NNC(=O)c1cccc(C)c1)CCC2 1772744679 GGUINCMGTXYSLM-UHFFFAOYSA-N 473.529 4.430 50 10 JIGE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1cc(OC)c(OC)c(OC)c1)C(C#N)=C(N)O2 1865693308 UPQFHWQNWFPKAH-OAQYLSRUSA-N 480.952 4.391 50 10 JIGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(O)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865714796 QKAJINWLQRYCRM-IBGZPJMESA-N 496.321 4.419 50 10 JIGE CC(C)(C)OC(=O)N[C@H](CBr)[C@H]1CN(C(=O)OC(C)(C)C)C2(CCOCC2)C1 1885095651 CPNJFOMJIKUBMW-HUUCEWRRSA-N 463.413 4.081 50 10 JIGE ClC[C@@H](I)[C@@H](CCl)OCc1cccc(I)c1 1902252143 MJAPMXNQIKQYMN-GHMZBOCLSA-N 484.930 4.458 50 10 JIGE O=C1c2ccccc2C(=O)N1CCCc1nccn1C[C@H](CBr)c1ccccc1 1913027400 WVCDZNLMOYMSNA-SFHVURJKSA-N 452.352 4.291 50 10 JIGE C[C@H](Br)[C@@H]1CCCN1c1ncc(I)cc1Br 1990075954 UEAKXNAJILUOBQ-XVKPBYJWSA-N 459.951 4.201 50 10 JIGE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(CBr)cc2)CCN1C(=O)OC(C)(C)C 1999363869 IJPNLZSPIMRQAL-UHFFFAOYSA-N 498.418 4.427 50 10 JIGE Brc1cc(I)cnc1N1C[C@@H]2CC[C@H](Br)C[C@H]2C1 2069529493 QNMIRRSJOAKYNW-GUBZILKMSA-N 485.989 4.449 50 10 JIGE CCN(CC)S(=O)(=O)C[C@H](Cl)c1cc(I)ccc1Br 2089390994 HEAUIEFAESOKJE-LBPRGKRZSA-N 480.593 4.005 50 10 JIGE C=C(Br)CN(C)S(=O)(=O)c1cc(CBr)cc(Br)c1C 2123246797 OABICIGWZPMRKS-UHFFFAOYSA-N 476.028 4.182 50 10 JIGE CC[C@@H]1CN(C(=O)c2ccc(I)c(Br)c2)C[C@H]1CCl 2140770687 LBYUDKFPGURMNP-MWLCHTKSSA-N 456.549 4.391 50 10 JIGE O=C(NC[C@@H](CCl)C1CCC1)c1ccc(Br)cc1I 2142279095 LTYFWHBCGBKKCN-SNVBAGLBSA-N 456.549 4.439 50 10 JIGE CC(C)(C)OC(=O)NCC1CCS(=O)(=NC(=O)c2ccc(CBr)cc2)CC1 2162873977 VQXFXKZYRHPPOG-UHFFFAOYSA-N 459.406 4.124 50 10 JIGE CN(C[C@H](Br)C1CCCC1)C(=O)c1ccc(F)cc1I 2167646504 KQBSUGZAOHATNO-ZDUSSCGKSA-N 454.121 4.456 50 10 JIGE CN(C[C@H]1C[C@H](Br)C1)C(=O)[C@@H]1C[C@@H](C(F)(F)F)CCN1C(=O)OC(C)(C)C 2196915324 XIFWBJLOQHJJMO-XUXIUFHCSA-N 457.331 4.196 50 10 JIGE COCC(COC)CO[C@](C)(CI)c1ccccc1Br 2207005788 SDKRQIKGOGRZRH-OAHLLOKOSA-N 457.146 4.025 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@@H](F)C[C@@H](Br)C1 2219179547 HGHLFIJOUSWQQC-BDAKNGLRSA-N 490.936 4.001 50 10 JIGE O=C(c1c(F)cccc1I)N(CCBr)Cc1ccccc1 2241494203 VNPWQZDUGQHILZ-UHFFFAOYSA-N 462.100 4.468 50 10 JIGE N#CC(=Cc1ccc2c(c1)OCO2)C(=O)OCC(=O)Nc1ccc(OCc2ccccc2)cc1 2297486816 HLQRQOHVUURDEA-UHFFFAOYSA-N 456.454 4.083 50 10 JIGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1ccc(Br)cc1O 2303725751 HMBBHGLNMBYFBY-HNNXBMFYSA-N 457.162 4.255 50 10 JIGE CN(C)S(=O)(=O)c1ccc(C(=O)Oc2ccc(C=C(C#N)c3ccccc3F)cc2)cc1 2320506641 NYVNNRMUCLXUSQ-UHFFFAOYSA-N 450.491 4.359 50 10 JIGE O=S(=O)(N[C@H]1CC[C@@H]2C[C@]12CBr)c1cc(Br)ccc1Br 2356885050 DZJCZUCGRODCRZ-OXHMUOHRSA-N 488.039 4.054 50 10 JIGE CC[C@@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)c1 10672535 WVQMJZUSDWUSHF-SJORKVTESA-N 465.575 4.120 50 10 JIGE Cc1cc(OCC(=O)NNC(=O)COc2ccc3ccccc3c2Br)ccc1Cl 13979714 VSQUGWVRBBBYBY-UHFFFAOYSA-N 477.742 4.169 50 10 JIGE COc1cc(/C=C(\C#N)C(=O)NC(C)C)cc(Br)c1OCc1ccc(C(=O)O)cc1 33301310 FZFQUFWVACCRMG-CAOOACKPSA-N 473.323 4.166 50 10 JIGE Cc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)N4CCN(c5ccccc5)CC4)c(C)c32)cc1 40804483 RYTSJPBUAKJCRG-BYNJWEBRSA-N 470.573 4.329 50 10 JIGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)ccc1OCc1ccc(C(=O)O)cc1 58890359 MDPVFEXRXBEHBD-TYNJROEQSA-N 476.529 4.326 50 10 JIGE COc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)c1 101337154 DXOOWEUEXCNJDP-LPHATQMZSA-N 494.551 4.319 50 10 JIGE Cc1ccc(S(=O)(=O)/C(C#N)=C(\Nc2ccccc2)N2CCN(c3ccccc3)CC2)cc1 105781705 BUEOQIVMSFAJJM-OCEACIFDSA-N 458.587 4.396 50 10 JIGE Cc1ccsc1C=NNC(=O)[C@H]1CCCN(CC(=O)Nc2cc(Cl)ccc2Cl)C1 254290204 JFNWDARYQRRSTJ-AWEZNQCLSA-N 453.395 4.164 50 10 JIGE COc1ccc(NC(=O)COc2ccc(C=NNC(=O)CSCc3ccccc3C)cc2)cc1 254844009 GCWGQYSJKPTFDF-UHFFFAOYSA-N 477.586 4.405 50 10 JIGE C[C@@H]1CN(Cc2ccccc2)CCN(S(=O)(=O)c2ccc(CCl)cc2Br)C1 323631124 QDCZMKDQMWWDBN-MRXNPFEDSA-N 471.848 4.331 50 10 JIGE CC1(C)[C@@H](Br)CCN1S(=O)(=O)c1cc(Br)ccc1Br 389124193 OAKHYAMPUHCDQY-NSHDSACASA-N 476.028 4.148 50 10 JIGE C[C@@H]1CC[C@H](Br)CN1C(=O)c1cc(I)ccc1Br 399434913 TWHOEDYMATXEIG-BDAKNGLRSA-N 486.973 4.442 50 10 JIGE C[C@@H]1C[C@H](Br)CN1C(=O)c1ccc(I)c(Br)c1 721576349 FRIGOEMCFMBXCY-APPZFPTMSA-N 472.946 4.052 50 10 JIGE CC[C@H](CCBr)NC(=O)c1ccc(I)c(Br)c1 721594755 RNGBVQOARBZQER-SECBINFHSA-N 474.962 4.347 50 10 JIGE COC(=O)[C@H](NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(OC)cc2)c1C)c1ccc(OC)cc1 729656545 GSUOYDZBJWXUBC-BTUGVJQXSA-N 473.529 4.049 50 10 JIGE COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C(=O)OC)c2ccc(Br)cc2)c1C 748638419 IFHSRVYZJUBZRO-PVKIKBHCSA-N 488.382 4.012 50 10 JIGE CCOc1ccc(S(=O)(=O)N(CC(=O)NN=C(C)c2ccc(F)cc2)c2ccc(C)cc2)cc1 1084136243 WXAVCFOTKISYSO-UHFFFAOYSA-N 483.565 4.269 50 10 JIGE COc1ccc(C=NNC(=O)CNc2c(Br)cc(C)cc2Br)c(OC)c1 1084136699 DAGHMTOLZPFYML-UHFFFAOYSA-N 485.176 4.099 50 10 JIGE O=C(Cc1cccc2ccccc12)NN=C1C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 1084178129 YTXLNSCEONENGW-UHFFFAOYSA-N 464.481 4.358 50 10 JIGE Cc1cc(C=NNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccccc1C(F)(F)F 1084591258 VVKWQYFXONKQLY-UHFFFAOYSA-N 473.411 4.110 50 10 JIGE CC(=O)c1cccc(O[C@@H](C)C(=O)NNC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1 1124423987 MHDWNUZHVRAHPA-SFHVURJKSA-N 453.498 4.333 50 10 JIGE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NN(C)c1ccccn1 1147931078 VEQSHBKHMINDBH-DEOSSOPVSA-N 456.546 4.423 50 10 JIGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(Oc3ccccc3F)cc2)cc1 1209143594 ZCJBFGQTZDOADV-MRXNPFEDSA-N 451.454 4.441 50 10 JIGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC)cc(Br)c1O 1865688545 UTRKQAYKMALLNI-LBPRGKRZSA-N 473.249 4.007 50 10 JIGE C[C@@H]1CN(c2ncc(I)cc2Br)[C@H](C)C[C@H]1Br 2015767200 OASBTUUQKYGLPL-NQMVMOMDSA-N 473.978 4.447 50 10 JIGE O=S(=O)(c1ccc(CCBr)s1)N(Cc1ccccc1)CC1CCOCC1 2123241718 NERVLIZVEIZLHT-UHFFFAOYSA-N 458.443 4.303 50 10 JIGE CC(C)n1cc(Br)cc1C(=O)NCCSSCCNC(=O)OC(C)(C)C 2125299562 JBSUONBJCPIBBV-UHFFFAOYSA-N 466.467 4.467 50 10 JIGE O=C1CCc2cc([C@H](Br)c3cc(I)sn3)c(F)cc2N1 2176540537 VPSKBXWFGGIXPE-ZDUSSCGKSA-N 467.101 4.256 50 10 JIGE O=C(NCC[C@H]1CCCC[C@H]1Br)c1cc(I)ccc1O 2179634461 GTXNEYMNWKJKDD-ZWNOBZJWSA-N 452.130 4.070 50 10 JIGE O=S(=O)(c1cc(CBr)sc1Br)N1CCC[C@]12CCSC2 2179793762 YOFRDQZIPNWWHS-GFCCVEGCSA-N 461.266 4.066 50 10 JIGE O=C(c1cc(Br)sc1Br)N1CCO[C@@H]2C[C@H](CBr)C[C@H]21 2199763438 VAYXCCLOWPWZNQ-SZEHBUNVSA-N 488.039 4.288 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@H](NS(=O)(=O)c2ccc(CBr)cc2)C1(C)C 2203805561 UCNMDLVVCYNPGN-INIZCTEOSA-N 461.422 4.038 50 10 JIGE O=S1(=O)CCC[C@H]1[C@@H](Br)c1cc(Br)c(Br)cc1F 2218598351 SQRBWTRFRBZSSC-QWRGUYRKSA-N 464.976 4.364 50 10 JIGE BrC[C@@]12CN(Cc3c(Br)cccc3Br)C[C@H]1CCO2 2231272525 MAXPMPJXGDBLMA-QMTHXVAHSA-N 454.000 4.197 50 10 JIGE CC(C)(C)OC(=O)NC[C@H]1CN(CCCCI)C[C@H]1c1ccccc1 2256398274 IBYMJOQNRXQBAJ-ROUUACIJSA-N 458.384 4.442 50 10 JIGE CSCC[C@@H](Br)CCNC(=O)c1c(F)cccc1I 2267669626 OJCFIAMYLPIJCO-VIFPVBQESA-N 460.150 4.067 50 10 JIGE C[C@@H]1CCN(C(=O)c2ccc(Cl)c(I)c2)C[C@H]1CBr 2268346486 QUKXZZLOMIRTPG-MWLCHTKSSA-N 456.549 4.438 50 10 JIGE COc1cccc(NC(=O)C(C#N)=Cc2c(Oc3ccccc3OC)nc3c(C)cccn3c2=O)c1 2314534086 XZQKPADTDBXKAB-UHFFFAOYSA-N 482.496 4.358 50 10 JIGE CCOc1ccc(C=NNC(=O)c2cccn(Cc3ccc(Cl)cc3)c2=O)c(OCC)c1 2323648545 PRXLNOPCYMPIRW-UHFFFAOYSA-N 453.926 4.111 50 10 JIGE CN([C@@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@@H]21)S(=O)(=O)[C@@H]1CC[C@H](CBr)C1 2357092601 YPHYMFOIYALFIP-MKUJHJDCSA-N 456.446 4.196 50 10 JIGE CCOCCOc1cccc(C(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)c1 10216442 VDKPEFKHNKZDJE-UHFFFAOYSA-N 455.338 4.029 50 10 JIGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=O)COc1c(C)cc(Br)cc1C 12489810 GECUBEJYSAPRHC-AWEZNQCLSA-N 463.372 4.185 50 10 JIGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(=S)NNC(=O)c1ccc(Cl)cc1Cl 12569999 IDONAOPKEVQUPK-QMMMGPOBSA-N 481.188 4.403 50 10 JIGE C/C(=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1)c1cccc([N+](=O)[O-])c1 19825987 YGIPXBUZPUFEGO-UQQQWYQISA-N 472.530 4.475 50 10 JIGE COc1cccc(/C=C(/C#N)c2nn(CCO)c(N)c2C#N)c1OCc1ccc(Cl)cc1Cl 33399382 FYXGKTGEXYDSAX-SXGWCWSVSA-N 484.343 4.288 50 10 JIGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OC)c2OC)cc1 38658971 UOXPIFANYXDJGJ-SANMLTNESA-N 486.524 4.469 50 10 JIGE COc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)cc(OC)c1OC 97729899 OWHJNIXWSAPQKY-VULFUBBASA-N 467.909 4.382 50 10 JIGE O=C1c2ccccc2C(=O)c2c(O)c(OCCCCCCI)cc(O)c21 206301295 FAMGPJPHEOUUDP-UHFFFAOYSA-N 466.271 4.247 50 10 JIGE FC(F)c1cc(CBr)c(I)nc1I 238635826 HZNNIVDZDCZPLH-UHFFFAOYSA-N 473.824 4.123 50 10 JIGE C[C@@]1(CBr)CCCN1C(=O)c1cc(I)ccc1Br 723025555 BKNMQYFEIFKCIY-ZDUSSCGKSA-N 486.973 4.443 50 10 JIGE CC(=O)Nc1cccc(OCCNC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(F)cc3)c2C)c1 729382984 HCJKEKMSVODMDP-KGENOOAVSA-N 460.509 4.294 50 10 JIGE Cc1ccc(N(CC(=O)NN=Cc2ccccc2Cl)S(=O)(=O)c2ccccc2)c(C)c1 1084111235 LRCURUAFPFSLEN-UHFFFAOYSA-N 455.967 4.302 50 10 JIGE COc1c(C)cccc1C(=O)NN=C1C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 1084643400 DDJQFUIDBFLOKU-UHFFFAOYSA-N 492.373 4.490 50 10 JIGE CC(=O)N1CCN(Cc2ccccc2NC(=O)NNc2ccccc2Cc2ccccc2)CC1 1660791110 PDOURCJWYYGWFP-UHFFFAOYSA-N 457.578 4.090 50 10 JIGE Cc1c(C(=O)NC2CC(C)(C)NC(C)(C)C2)oc2c1C(=NNC(=O)c1cccs1)CCC2 1772748987 ILGWTMUKLJHYKM-UHFFFAOYSA-N 456.612 4.159 50 10 JIGE Cc1ccc(C)c(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccccc2C(=O)O)c1 1865703923 ISISULHCBZPHEK-SFHVURJKSA-N 468.435 4.483 50 10 JIGE CC[C@H](NC(=O)Cc1sc(NC(C)=O)nc1-c1cccs1)C(=O)Nc1ccc(SC#N)cc1 1866637203 RDSOQFYJYDVGMJ-INIZCTEOSA-N 499.643 4.479 50 10 JIGE N#C/C(=C(/O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2ccc(F)cc2F)cs1 1872818341 XYPHKDCJHOLUMF-LGMDPLHJSA-N 468.397 4.085 50 10 JIGE C=CC[C@@H](CBr)NS(=O)(=O)c1cc(Br)c(C)cc1Br 1885074234 VWRBLWNRUASUQC-VIFPVBQESA-N 476.028 4.138 50 10 JIGE O=S(=O)(c1ccc(Cl)c(CBr)c1Cl)N1CC(OCc2ccccc2)C1 2059286563 NEBYZUJUMBSCBD-UHFFFAOYSA-N 465.196 4.478 50 10 JIGE C[C@@H](Br)CN(C(=O)c1ccc(Br)cc1I)C1CC1 2086151118 KZBKOJAXROZZPF-MRVPVSSYSA-N 486.973 4.442 50 10 JIGE O=C(c1cccc(Br)c1Br)N1CC[C@@H]2[C@H](CBr)[C@H]2C1 2093124998 DTHSCHURPMVALE-MIMYLULJSA-N 451.984 4.315 50 10 JIGE BrCc1ccc(-n2cnc3c(I)ncnc32)c(Br)c1 2121249039 XNLBRDUZJHFUAE-UHFFFAOYSA-N 493.928 4.078 50 10 JIGE Cc1cc(C(=O)N[C@@H]([C@@H](C)Br)C(F)(F)F)ccc1I 2142108358 YVPWPKOQZPQBNW-XCBNKYQSSA-N 450.036 4.044 50 10 JIGE Cc1cccc(C(=O)N2CC(F)(F)C[C@@]2(C)CBr)c1I 2159048112 AXZXWVQHRLBMQX-ZDUSSCGKSA-N 458.084 4.234 50 10 JIGE Cc1c(CBr)cccc1S(=O)(=O)N1C[C@@H](C)N(Cc2ccccc2)C[C@H]1C 2179779843 OCSAPHWZEATCBZ-IAGOWNOFSA-N 451.430 4.173 50 10 JIGE CN(Cc1ccccc1)[C@H]1CCN(S(=O)(=O)c2cc(Cl)cc(CBr)c2F)C1 2179862867 CZRLDSMEMJRHCO-KRWDZBQOSA-N 475.811 4.269 50 10 JIGE CCC[C@H]1CN(C(=O)c2ccc(I)c(C)c2)C[C@@H]1CBr 2207108916 ZZDUEVDBHDCTQA-KBPBESRZSA-N 450.158 4.483 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1[C@H]2CC[C@H](Br)[C@H]1CC2 2238212941 YAOGKLSZULJAFG-JBLDHEPKSA-N 488.039 4.291 50 10 JIGE CN(Cc1ccccc1I)c1ncc(Br)c(CCl)n1 2265537737 REHYNYIIDMHSSM-UHFFFAOYSA-N 452.521 4.219 50 10 JIGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1ccccc1-c1ccccc1 2314795652 DQKGJSZCJWZIAB-UHFFFAOYSA-N 498.535 4.112 50 10 JIGE Cc1ccc(C=C(C#N)C(=O)Nc2nc3ccc(S(=O)(=O)NCC(C)C)cc3s2)cc1 2329635299 YSKMORQVGAZWFP-UHFFFAOYSA-N 454.577 4.085 50 10 JIGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2CCS(=O)(=O)C2)c1Br 2365184318 OXNYJJNJYOFYNK-LDYMZIIASA-N 491.039 4.399 50 10 JIGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccccc4Cl)c(=O)c32)cc1OC 2363648 RTOJCVASURVLLR-JOCHJYFZSA-N 463.921 4.094 50 10 JIGE CCCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2OCCC(C)C)cc1 14034490 NNXUMJVDLDWQSN-UHFFFAOYSA-N 484.622 4.190 50 10 JIGE C[C@@H]1CN(C(=O)CCN2CCc3sccc3[C@@H]2c2ccccc2)CCN1C(=O)C(C)(C)CCl 34830102 QMMRZULEQMFXOA-DVECYGJZSA-N 488.097 4.410 50 10 JIGE CCOc1cc(/C=C2/C(=O)N(CCCOC)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 38606447 DJHNVCVIUBMOEJ-HYARGMPZSA-N 478.520 4.432 50 10 JIGE O=C(N/N=C/c1ccc(Sc2nc3ccccc3c(=O)n2-c2ccccc2)o1)c1ccco1 59392344 XFTMPODSMANGDB-MFKUBSTISA-N 456.483 4.487 50 10 JIGE CCCOc1c(/C=N\NC(=O)c2cccn(Cc3ccc(Cl)cc3)c2=O)cccc1OC 169920269 VYQIFEHUVGIXHS-YSMPRRRNSA-N 453.926 4.111 50 10 JIGE CC(C)[C@H](CI)NC(=O)c1cc(Br)sc1Br 232727990 NPLWPAHBQDMBRI-ZETCQYMHSA-N 480.991 4.463 50 10 JIGE C[C@H]1CCN(C(=O)c2cc(Br)ccc2I)[C@@H]1CBr 235616044 VSLIKGSRMKMNSR-QPUJVOFHSA-N 486.973 4.299 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1[C@H]2CC[C@H]1CC(Br)C2 236081629 JRLOCVYGIGMSFO-QWRGUYRKSA-N 454.533 4.475 50 10 JIGE C[C@@H]1CN(Cc2ccccc2)CCN1S(=O)(=O)c1cc(Br)cc(CCl)c1F 382648995 UHKYXJDYAIBUDD-CQSZACIVSA-N 475.811 4.222 50 10 JIGE COc1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)cc1 382686499 FQKZWTVATUAMGP-PKOBYXMFSA-N 451.304 4.482 50 10 JIGE Cc1cccc(N)c1[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1CI 382726829 QYVUYEWUKGZQEU-IAGOWNOFSA-N 450.320 4.364 50 10 JIGE Cc1nc(-c2ccc(CNC(=O)NNC(=O)c3cc(F)ccc3Br)cc2)cs1 728746907 ASQIIDVMBQBJNB-UHFFFAOYSA-N 463.332 4.164 50 10 JIGE COc1ccc(CNC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)cc1F 915148293 AMKCOSURLZTCGM-PDGQHHTCSA-N 463.900 4.488 50 10 JIGE COc1cc(C=NNC(=O)c2ccncc2)cc(I)c1OCc1ccccc1 1084027242 CPBIDHWAKNJXOA-UHFFFAOYSA-N 487.297 4.038 50 10 JIGE Cc1ccc(NC(=O)CN2C(=O)C(=NNC(=O)c3ccc(C)c(Cl)c3)c3ccccc32)cc1 1084641282 GFBSXWFFNVEHPJ-UHFFFAOYSA-N 460.921 4.076 50 10 JIGE COc1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)cc1OC 1614807786 JSGLHSDVKKCWDK-QZTJIDSGSA-N 481.330 4.491 50 10 JIGE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NNc2cccc(C)n2)ccc1Cl 1641985786 WKEQKZDNGDWJPA-UHFFFAOYSA-N 456.955 4.182 50 10 JIGE C[C@H](Cl)[C@H](NC(=O)c1ccc(I)c(Br)c1)C(F)(F)F 1882638524 GTERRRIRSHUNEB-CDUCUWFYSA-N 470.454 4.342 50 10 JIGE O=C(N[C@H](CBr)C(F)(F)F)c1cc(Br)c(Br)s1 1942837490 QVNHPYUIBABXEC-RXMQYKEDSA-N 459.907 4.329 50 10 JIGE O=C(N[C@H]1C[C@@H](CCBr)C1)c1cc(I)ccc1Br 2078347497 OJPCHDDFWXCCIO-WAAGHKOSSA-N 486.973 4.347 50 10 JIGE Cn1cc(Cl)c([C@H](Br)c2cc(I)cc3c2OCC3)n1 2094351997 ZWYKMAXNZGNRBD-LLVKDONJSA-N 453.505 4.097 50 10 JIGE CC1CC(CCl)(CNC(=O)c2cc(Br)ccc2I)C1 2128718893 FVQAAZZAPHZCOM-UHFFFAOYSA-N 456.549 4.439 50 10 JIGE Cc1cc(S(=O)(=O)N2CC[C@H](Br)C(F)(F)CC2)sc1Br 2150023965 ZCAMHDZMVPIBDE-QMMMGPOBSA-N 453.168 4.002 50 10 JIGE Cc1cc(S(=O)(=O)N(CCBr)Cc2ccsc2)sc1Br 2171096039 WBTHUYDULONVDQ-UHFFFAOYSA-N 459.250 4.466 50 10 JIGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1C[C@H]2C[C@H]1C[C@H]2Br 2172066443 ZHLYMICDQITQNQ-BWVDBABLSA-N 464.006 4.302 50 10 JIGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1C[C@H]2C[C@H]1C[C@@H]2Br 2172066444 ZHLYMICDQITQNQ-YEPSODPASA-N 464.006 4.302 50 10 JIGE Cc1cc(S(=O)(=O)N(C)[C@H]2C[C@H](C)N(Cc3ccccc3)C2)ccc1CBr 2179788005 WORXIULDYYQCLR-PXNSSMCTSA-N 451.430 4.173 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1[C@H]2CC[C@H]1[C@@H](F)[C@H](Br)C2 2190680460 WMJZGBSOSVHBJM-FQPOAREZSA-N 472.523 4.423 50 10 JIGE O=C(N[C@H](CBr)C[C@@H]1CCOC1)c1ccc(Br)cc1Br 2195479332 PIHARKYLWBULFW-ONGXEEELSA-N 469.999 4.132 50 10 JIGE O=C(c1csc(Br)c1Br)N1CCO[C@@H]2C[C@@H](CBr)C[C@H]21 2199782312 ZILOZJAZDIZRSM-FXBDTBDDSA-N 488.039 4.288 50 10 JIGE O=C(N[C@H](CCBr)C(F)F)c1ccc(Cl)c(I)c1 2256386287 BOQWLTCJQPQHLD-SECBINFHSA-N 452.464 4.093 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1C[C@@H](Br)CCC12CC2 2268343460 IURRRMFJJOBUQI-JTQLQIEISA-N 454.533 4.477 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)NCC1CC(CBr)C1 2277921936 VPIBJUFAYSHYAE-UHFFFAOYSA-N 454.000 4.291 50 10 JIGE C=CCc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1O 2313567095 GADPXXGXFUERLJ-UHFFFAOYSA-N 452.352 4.139 50 10 JIGE COc1ccc(CCN2C(=O)C(=CNc3ccc(C)c(Cl)c3)C(C)=C(C#N)C2=O)cc1OC 2314579276 OLLDXQJEWAGICE-UHFFFAOYSA-N 465.937 4.413 50 10 JIGE COC1(C(F)F)CC(COC2(CI)CCN(C(=O)OC(C)(C)C)CC2)C1 2340662879 SQLAXHIFUBQZKZ-UHFFFAOYSA-N 489.341 4.268 50 10 JIGE CC[C@@]1(CCl)COCCN1Cc1ccc(I)c(Br)c1 2349827976 ZFXILJPCVHFELY-CQSZACIVSA-N 458.565 4.274 50 10 JIGE Cn1nc(Br)c(Br)c1C(=O)N[C@@H](CCBr)C1CCCC1 2364229256 XHCQYDZGLMCJLK-VIFPVBQESA-N 472.019 4.019 50 10 JIGE CC(C)(C)c1ccc(C(=O)NC(=S)NNC(=O)c2cccc(Cl)c2)cc1Br 13977044 VZZVVMHZPYEOAV-UHFFFAOYSA-N 468.804 4.349 50 10 JIGE CCc1ccc(OCC(=O)NNC(=O)/C=C/c2cccc3ccccc23)c(Br)c1 13977647 CYLFMBZEIVLWSW-ACCUITESSA-N 453.336 4.404 50 10 JIGE CCCCOc1cccc(C(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c1 14041941 IMXKGLDVPNFFQC-CYBMUJFWSA-N 484.405 4.275 50 10 JIGE Cc1cccc(C)c1O[C@@H](C)C(=O)NNC(=O)COc1ccc(C(C)C)cc1Br 14639367 MDRFKSZGMOSVSZ-INIZCTEOSA-N 463.372 4.183 50 10 JIGE C=CCc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)c1O 20161185 GJDWAMADFMEKRJ-JVWAILMASA-N 470.558 4.006 50 10 JIGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)cc1 38650355 XLIJHUVFTMELDY-IZHWHUGBSA-N 460.461 4.425 50 10 JIGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3Cl)ccc2[C@@H]1c1cccc([N+](=O)[O-])c1 40527365 OLUIBQISRAFUTB-QHCPKHFHSA-N 477.860 4.451 50 10 JIGE Cc1cc(O[C@@H](C)C(=O)N/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)cc(C)c1Cl 40840962 FQIAYHWHCGSKSF-SJGMLKTKSA-N 470.707 4.251 50 10 JIGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1ccc(C)cc1 40870037 UATDTOYZKALAMK-HYARGMPZSA-N 456.498 4.211 50 10 JIGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccccc3)n2-c2ccc(C)cc2)cc1 254293508 GSXVBXNWBRWKTM-UHFFFAOYSA-N 457.559 4.494 50 10 JIGE CCn1c(SCC(=O)NN=Cc2ccc(C(F)(F)F)cc2)nnc1-c1ccc(OC)c(OC)c1 263630330 DDFNQANVXLPUQT-UHFFFAOYSA-N 493.511 4.243 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2C[C@@H](Br)C[C@@H]2C)cc1Br 385212442 DVHVOVQTBKQQDZ-IUCAKERBSA-N 476.028 4.066 50 10 JIGE O=C(N[C@@H](CBr)C1CCC1)c1cc(I)ccc1Br 717612674 ITOVMBLSLBULQD-LBPRGKRZSA-N 486.973 4.347 50 10 JIGE CCN(CC)Cc1ccc(C(=O)NNC(=O)[C@H](Oc2ccc(F)c(Cl)c2)c2ccccc2)o1 730532593 GQZPFTBOPKPYJJ-JOCHJYFZSA-N 473.932 4.495 50 10 JIGE Cc1ccc(-c2cc(C(=O)NNC(=O)NCc3ccc(Oc4ccc(F)cc4)cc3)n[nH]2)cc1 916222535 HUAPJSUBSBBHAX-UHFFFAOYSA-N 459.481 4.461 50 10 JIGE C#CCCCC(=O)NNC(=O)c1ccccc1SCC(=O)O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C 1178772646 ADWLJEPHRBGJQX-IRFCIJBXSA-N 458.624 4.347 50 10 JIGE C#CCN(C(=O)CCC(=O)C(C#N)=C1N(C)c2ccccc2N1C)[C@H]1CCCc2ccccc21 1647736008 CJEKZFJFCBAHLH-QHCPKHFHSA-N 452.558 4.196 50 10 JIGE Cc1c(C(=O)NNC(=O)c2ccco2)oc2c1C(=NNc1cccc(C(F)(F)F)c1)CCC2 1772750745 JWBODCRBEZZBSX-UHFFFAOYSA-N 460.412 4.427 50 10 JIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)cc2)cc(OC)c1OC 1865692623 OASASNDGXDOUNZ-HXUWFJFHSA-N 452.898 4.078 50 10 JIGE Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(C(=O)O)cc1)C(C#N)=C(N)O2 1865708789 GAXTZCSUHQHQGI-LJQANCHMSA-N 455.301 4.463 50 10 JIGE COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(Cl)c2)cc1OC 1865710810 JDZOKJKPXRZSCB-JOCHJYFZSA-N 466.925 4.137 50 10 JIGE CCCSc1ccccc1C(=O)NNC(=O)[C@H](C)n1cnc2sc3c(c2c1=O)CC[C@H](C)C3 1865852316 RZWJHXRAXJEXTA-GJZGRUSLSA-N 484.647 4.107 50 10 JIGE O=C(N[C@@H](CBr)C[C@H]1CCOC1)c1scc(Br)c1Br 1883262949 AYKLDGCOWQTZIY-HTQZYQBOSA-N 476.028 4.193 50 10 JIGE CC(C)(C)OC(=O)Nc1cc(I)cc(C(=O)NC[C@@H]2C[C@@H]2Br)c1 1897149304 RYXZXEGLNVMIRI-GWCFXTLKSA-N 495.155 4.151 50 10 JIGE CCN(C[C@@](C)(CI)OCCOCCC1CC1)C(=O)OC(C)(C)C 2012320781 OBTJJYBWSDXXMQ-GOSISDBHSA-N 455.377 4.270 50 10 JIGE O=S(=O)(C[C@H](Br)c1csc(Br)c1Br)N1CCCC1 2032953647 NJOXULHNGSHWEW-QMMMGPOBSA-N 482.057 4.135 50 10 JIGE CCOC(=O)Cc1c(I)ccc(C(F)(F)F)c1CBr 2055268081 PJGRVBRWPYOLLI-UHFFFAOYSA-N 451.020 4.311 50 10 JIGE FC1(F)CN(c2ncc(I)cc2Br)CC[C@@H]1CBr 2069530861 APLVDEINKGFDHD-SSDOTTSWSA-N 495.931 4.305 50 10 JIGE CCN(CC)S(=O)(=O)C[C@@H](Br)c1cccc(Br)c1Br 2092335461 NMWYLKSBHAVYHZ-LLVKDONJSA-N 478.044 4.319 50 10 JIGE O=C(N[C@@H](CBr)c1cccs1)c1cc(I)ccc1F 2119041176 VSWBJRMVOMRAAR-NSHDSACASA-N 454.102 4.358 50 10 JIGE C[C@@H](Br)C[C@H]1COCCN1C(=O)c1scc(Br)c1Br 2128864941 NDKSQBUZLRBTBO-SFYZADRCSA-N 476.028 4.288 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CC[C@H](Br)[C@@H]2CC[C@@H]21 2133723565 QJRBIXIBKDKVEN-XDTLVQLUSA-N 498.984 4.442 50 10 JIGE O=S(=O)(NC[C@H]1CCCC2(CCC2)[C@H]1Br)C1CC(OCc2ccccc2)C1 2161299049 WJEBUBHAIDNYAJ-OAHAVBBTSA-N 456.446 4.388 50 10 JIGE ClCc1ccc(Br)c(N2CCC[C@@]3(CN(Cc4ccccc4)CCO3)C2)n1 2177048570 UQEDRZDSIMZUKH-OAQYLSRUSA-N 450.808 4.454 50 10 JIGE O=C(N[C@H]1COC2(CCC2)[C@@H]1Br)c1cccc(Br)c1Br 2206469913 BZPNTVYATSKQRA-CMPLNLGQSA-N 467.983 4.026 50 10 JIGE Cc1cc(CCl)cc(-n2cnc(I)c2I)c1 2211835470 VTRLYOMVWIMMRW-UHFFFAOYSA-N 458.468 4.129 50 10 JIGE Cn1cc(-n2c(CCl)nc3cc(I)c(F)cc32)c(Br)n1 2239211562 RVRGQIZVCNOUII-UHFFFAOYSA-N 469.483 4.004 50 10 JIGE CC1(C)CCN(Cc2ccccc2)CCN1S(=O)(=O)c1ccc(CCBr)s1 2239859397 YJJUVDJBLKQXPZ-UHFFFAOYSA-N 471.486 4.361 50 10 JIGE C=CC[C@@]1(CBr)CCCN1C(=O)c1cccc(F)c1I 2287756462 WFNOGVGWQXXGRE-HNNXBMFYSA-N 452.105 4.376 50 10 JIGE O=C(c1sccc1I)N1Cc2ccccc2C[C@@H]1CBr 2296510353 PCDDELSFBSNFCM-GFCCVEGCSA-N 462.150 4.315 50 10 JIGE N#CC(=Cc1ccc(Br)cc1)C(=O)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 2324506055 SXYFMLDRQCJVDH-XMMPIXPASA-N 450.380 4.481 50 10 JIGE O=C(N[C@@H]1C[C@@H](CBr)C12CCC2)c1cc(I)ccc1F 2379697111 PQKJMHUWISZWHL-TVQRCGJNSA-N 452.105 4.114 50 10 JIGE O=C(NNC(=S)NC(=O)c1sc2ccccc2c1Cl)c1cc2ccccc2cc1O 12502478 MBDWLYVKUYCPQV-UHFFFAOYSA-N 455.948 4.363 50 10 JIGE Cc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCCC(C)C)cc2)cc1Br 14037276 AZZYHQYYYLCTLG-UHFFFAOYSA-N 478.412 4.132 50 10 JIGE CC(C)COc1ccc(Br)cc1C(=O)NNC(=O)COc1ccccc1C(C)C 14666889 BBPJXBKQFZBWGM-UHFFFAOYSA-N 463.372 4.447 50 10 JIGE COc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 39858572 ZFEMQZLTQCXGFL-SDXDJHTJSA-N 452.470 4.350 50 10 JIGE CCCCOc1ccc(Nc2ncnc(NNC(=O)c3ccccc3OC)c2[N+](=O)[O-])cc1 40620035 JZZYAJMWPJCGBJ-UHFFFAOYSA-N 452.471 4.073 50 10 JIGE Cc1cc(Oc2ncnc(NNC(=O)c3ccccc3[N+](=O)[O-])c2[N+](=O)[O-])cc(C)c1Cl 40658056 HMJMOJXXPKKTIK-UHFFFAOYSA-N 458.818 4.112 50 10 JIGE C=CCN1C(=O)/C(=N\NC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)c2ccccc21 59160673 XGMJMHOWAXYSCE-BXVZCJGGSA-N 453.542 4.444 50 10 JIGE N#C/C(=C/Nc1ccc(S(=O)(=O)NC(N)=O)cc1)c1nc(-c2cccc3ccccc23)cs1 102458032 XVXZWOOGKHQQEQ-SSZFMOIBSA-N 475.555 4.297 50 10 JIGE N#C/C(C(=O)N1CCCCC1)=C1\N=C(NC(=O)c2ccc(Cl)cc2Cl)c2ccccc21 102673540 WZQDWDXXCLKYLO-CZIZESTLSA-N 453.329 4.431 50 10 JIGE COc1cc(C=NNC(=O)COc2ccc(C)c(C)c2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 254844623 GXHSGUSIYSBVQG-UHFFFAOYSA-N 494.460 4.450 50 10 JIGE Cn1ncc([C@@H](Br)c2cc(I)cc3c2OCC3)c1Br 381964405 ZUQQHWFULQZRPJ-NSHDSACASA-N 497.956 4.206 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2C[C@@H](C)C[C@@H](Br)C2)cc1Br 401611560 KBJFALWBBKBVQV-WCBMZHEXSA-N 490.055 4.314 50 10 JIGE O=C(CCc1ccccc1O)NN=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 1083955194 CFORFRQBXGNXSN-UHFFFAOYSA-N 450.407 4.084 50 10 JIGE C=CCOc1cc(OC)ccc1C(=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1 1264079290 CMLAOWCAJPLDLG-UHFFFAOYSA-N 450.466 4.053 50 10 JIGE Cc1c(C(=O)Nc2ccc(F)cc2)oc2c1C(=NNC(=O)c1cccc([N+](=O)[O-])c1)CCC2 1772745515 AFIJHZKKHUYWOQ-UHFFFAOYSA-N 450.426 4.358 50 10 JIGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2cc(OC)ccc2OC)cc1 1865693227 SXYJEGINENDTSF-SFHVURJKSA-N 472.423 4.135 50 10 JIGE Cc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865696696 QGVLCNPXPWECNN-IBGZPJMESA-N 455.287 4.065 50 10 JIGE COc1ccc(OCC(=O)NNC(=O)c2ccc(-c3ccc(F)c(F)c3)nc2C)c(C(C)(C)C)c1 1865757210 RIWQBRKNXZIVTM-UHFFFAOYSA-N 483.515 4.481 50 10 JIGE CC(C)(C)OC(=O)N1CC(N(C[C@H](Br)C(F)(F)F)OCc2ccccc2)C1 1881878673 ONDGNBQZXMVNRD-HNNXBMFYSA-N 453.299 4.365 50 10 JIGE CC(C)(C)OC(=O)NC[C@@](C)(CI)OC[C@H]1C[C@@H](C(F)(F)F)C1 1905186005 IKJDPOXXNQURRS-UHIISALHSA-N 451.267 4.310 50 10 JIGE O=C1c2ccccc2C(=O)N1C[C@@H](Br)Cc1c(F)cc(Br)cc1F 1905406864 VJVMTZVFAYUGFT-JTQLQIEISA-N 459.084 4.330 50 10 JIGE O=S(=O)(NCC[C@H]1CCC[C@@H]1Br)c1cc(Br)ccc1Br 1913791110 CLSDGTZXCDIYGE-KOLCDFICSA-N 490.055 4.444 50 10 JIGE CN(CC1(CBr)CC1)C(=O)c1ccc(I)c(Br)c1 1915522893 UFYGLPUNYVWEAH-UHFFFAOYSA-N 486.973 4.301 50 10 JIGE CN(C[C@H](Br)COCc1ccccc1)S(=O)(=O)c1cc(F)ccc1Cl 1916365452 XLQLFZKGXRBMJT-AWEZNQCLSA-N 450.757 4.080 50 10 JIGE Cc1cnc(-n2nc(CBr)c(I)c2C(F)(F)F)cc1C 2078928242 BLCZCOTXDNWTCO-UHFFFAOYSA-N 460.035 4.402 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1CC2(CC2)C[C@H]1CBr 2099153278 FATTXZDOPBEGSR-JTQLQIEISA-N 454.533 4.334 50 10 JIGE O=C(N[C@@H]1C[C@H](CBr)[C@H]2C[C@@H]21)c1ccc(I)c(Br)c1 2110543596 NEKANHNXQATWRK-ORXSELOVSA-N 498.984 4.203 50 10 JIGE O=C(NC[C@@H](Br)CBr)c1cc(Br)cc(C(F)(F)F)c1 2116356475 OEVBGOUGTWHFRU-VIFPVBQESA-N 467.905 4.356 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@H](Cl)C2(CCC2)C1 2142285211 NFNMXMKSCCZHIH-LBPRGKRZSA-N 454.533 4.287 50 10 JIGE Cn1nc([C@H](Br)c2cc3nc(O)[nH]c3cc2Br)cc1Br 2150477825 CBBAHXWQRVEUNQ-LLVKDONJSA-N 464.943 4.011 50 10 JIGE O=S(=O)(NCc1scc(Br)c1Br)c1ccccc1CCl 2150583115 NBEPCJIPZUTHCC-UHFFFAOYSA-N 459.612 4.490 50 10 JIGE CC(C)(C)OC(=O)N1CC[C@](CNC(=O)[C@H](Br)C2CCCC2)(C(F)(F)F)C1 2167681913 YUAHUCDCMNOZLJ-CXAGYDPISA-N 457.331 4.246 50 10 JIGE CN(CCCC(F)(F)F)S(=O)(=O)c1cc(CBr)sc1Br 2179785148 IIYRINYEOSGTRF-UHFFFAOYSA-N 459.147 4.369 50 10 JIGE Cc1ccc(S(=O)(=O)n2cc(C=C(C#N)C(=O)Nc3ccc(C(=O)O)cc3)c3ccccc32)cc1 2294510742 BWCIUJWGOQIHHM-UHFFFAOYSA-N 485.521 4.431 50 10 JIGE CC(C)(CI)CN1CCN(C(=O)OC(C)(C)C)CC[C@H]1C(F)(F)F 2306818057 GRJUNPIRLGIWKV-LBPRGKRZSA-N 464.310 4.321 50 10 JIGE COC(=O)[C@@H](Br)C1(OCc2ccc(Cl)cc2I)CCC1 2365727160 IEPWUWJRMJAXPC-GFCCVEGCSA-N 473.532 4.320 50 10 JIGE CC(C)(C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(Cl)cc2)c(Br)c1 12403531 CGAJLLMSPCBHBT-UHFFFAOYSA-N 498.830 4.115 50 10 JIGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc32)cc1OC 38658445 GQUUPTIZQCFQJC-QHCPKHFHSA-N 473.441 4.049 50 10 JIGE O=C(Oc1ccc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 254449102 LERYTWUTCHURIU-UHFFFAOYSA-N 495.491 4.200 50 10 JIGE Cc1cccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)C(=O)Nc2ccccc2)c1 254812922 GZRJTNRVNIRBGN-UHFFFAOYSA-N 451.482 4.456 50 10 JIGE O=C(Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NN=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 254813517 QJSSSCOBTJNFPJ-UHFFFAOYSA-N 462.340 4.475 50 10 JIGE CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)NN=Cc2ccccc2C(F)(F)F)cc1 254825571 HZGFQTPPZKDSLG-UHFFFAOYSA-N 475.492 4.436 50 10 JIGE C[C@H]1[C@@H](CBr)CCN1C(=O)c1cc(Br)ccc1I 385771284 GSKBSBJFPUUTDD-DTWKUNHWSA-N 486.973 4.299 50 10 JIGE CCOC(=O)[C@H]1CCCN(C(=O)c2cccc(NC(=O)Nc3ccc(SC#N)cc3)c2)C1 586717933 PYEYZOVJNKLHFH-KRWDZBQOSA-N 452.536 4.319 50 10 JIGE C[C@H](Br)[C@H]1CCCN(S(=O)(=O)c2cc(Cl)c(Br)s2)C1 688927759 TXETZZROKACGEK-YUMQZZPRSA-N 451.633 4.348 50 10 JIGE O=S1(=O)CC[C@H](CCOc2c(Br)cc(Br)cc2CBr)C1 696957930 BVCGNBKXKCNVGF-VIFPVBQESA-N 491.039 4.310 50 10 JIGE COc1ccc(N(CC(=O)NN=C(C)c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1Cl 725401351 DDIHSBILKFSNOS-UHFFFAOYSA-N 489.956 4.223 50 10 JIGE CCCN1C(=O)C(=NNC(=O)COc2ccc(Cl)c(C)c2)c2cc(Br)ccc21 725411694 NZQJGZUWLIMBRG-UHFFFAOYSA-N 464.747 4.067 50 10 JIGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)C1CCN(C(=O)c2cc(Cl)ccc2OC)CC1 914779142 LMFNDSYUZBUWSJ-UHFFFAOYSA-N 458.898 4.443 50 10 JIGE CO[C@@H]1[C@@H](Br)CC[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 1535644792 PFNMFJBWDPFIRE-SLFFLAALSA-N 460.324 4.221 50 10 JIGE CC(C)c1ccc(/C=C/C(=O)NNC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)cc1 1860771287 PEZRUNSFDYSXGW-JLHYYAGUSA-N 472.570 4.109 50 10 JIGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cc(-c3ccco3)on2)cc1 1866642139 QMGQLKOUOUVQKJ-LJQANCHMSA-N 458.499 4.488 50 10 JIGE CC[C@](C)(NC(=O)c1cc(-c2cccc(OC)c2)on1)C(=O)Nc1ccc(SC#N)cc1 1867145985 UAETZQZYMOXJNI-QHCPKHFHSA-N 450.520 4.461 50 10 JIGE CC(C)(C)c1csc(/C(C#N)=C(\O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)n1 1872748882 QVLZXUJNGFVLER-SDXDJHTJSA-N 468.000 4.065 50 10 JIGE CN(C[C@@H](Br)COCc1ccccc1)c1ccccc1S(=O)(=O)C(F)(F)F 1916334715 JRHVMNGKHOYNOI-OAHLLOKOSA-N 466.319 4.397 50 10 JIGE Cc1cccc(C(=O)NCCSSCCNC(=O)OC(C)(C)C)c1I 2061267948 LTHHCEABNVSAMP-UHFFFAOYSA-N 496.436 4.236 50 10 JIGE O=C(NCCC(F)(F)CBr)c1ccc(Br)cc1I 2086144608 BTDUCLBJHJSZAW-UHFFFAOYSA-N 496.915 4.204 50 10 JIGE O=C(NCC1(F)CC(CBr)C1)c1c(Br)cccc1Br 2112251080 NELLWPMXCOBIEM-UHFFFAOYSA-N 457.963 4.455 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@H]2CC(Br)C[C@@H]2C1 2128633368 VBAJTEVYMZHVHK-NXEZZACHSA-N 498.984 4.299 50 10 JIGE C[C@@H]1CN(S(=O)(=O)c2cccc(CBr)c2)[C@H](C)[C@@H](C)N1Cc1ccccc1 2179817856 ZWDCRLBHIFNISQ-KZNAEPCWSA-N 451.430 4.254 50 10 JIGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1C[C@H](F)C[C@@H](Br)C1 2234679326 KTMHGTOPJVDLHY-HTQZYQBOSA-N 469.985 4.252 50 10 JIGE O=C(N[C@@H](CBr)[C@H]1CC=CCC1)c1c(F)cccc1I 2282768808 ZSYDFSRMJCGLGQ-GWCFXTLKSA-N 452.105 4.280 50 10 JIGE C=CCNC(=O)C(C#N)=Cc1ccc(OC(=O)C=Cc2ccc(OCC)c(OCC)c2)c(OC)c1 2293198065 DRKBCESCRAIWLJ-UHFFFAOYSA-N 476.529 4.321 50 10 JIGE COC(=O)c1ccccc1NC(=O)C(C#N)=CN1CCN(C(c2ccccc2)c2ccccc2)CC1 2325182846 DPXFHBOUZVKWDO-UHFFFAOYSA-N 480.568 4.226 50 10 JIGE CCCCCOc1ccc(C=NNC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)cc1OC 2328825053 MQWXXRBIPXQZNN-SFHVURJKSA-N 467.632 4.361 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CC[C@@H](Cl)[C@H]2CC[C@H]21 2331942651 VUOBPZINNPEQJV-IRUJWGPZSA-N 454.533 4.286 50 10 JIGE C=CC[C@H](Cl)[C@@H]1CCN1C(=O)c1cc(Br)ccc1I 2335802486 CVJOMWHAILHGNO-AAEUAGOBSA-N 454.533 4.452 50 10 JIGE COC[C@]1(CBr)C=CCN1Cc1ccc(Cl)c(I)c1 2351717157 FZKRTLRQVTWRMD-CQSZACIVSA-N 456.549 4.097 50 10 JIGE O=C(c1cccc(I)c1)N1CC[C@@H](Br)C[C@@H]1C(F)(F)F 2361454915 LJPHIMIOEZFTQZ-MWLCHTKSSA-N 462.047 4.222 50 10 JIGE CC[C@H](C)Oc1cccc(C(=O)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)c1 10661956 HTZRVBYQKCQIMT-ZDUSSCGKSA-N 452.338 4.351 50 10 JIGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)c1 38659854 JZGQUFYKMRTROR-SGANQWHYSA-N 490.487 4.434 50 10 JIGE COCCCNC(=O)c1oc2c(c1C)/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 40815417 RLLWAGADZLSJIR-JBASAIQMSA-N 473.573 4.343 50 10 JIGE O=C(N/N=C/c1cc(Cl)ccc1O)[C@@H]1CCCN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 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C[C@H](OC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1)C(=O)N1c2ccccc2C[C@@H]1C 761396430 DSXVDELQOCAPTJ-JFVMLZFZSA-N 479.540 4.280 50 10 JIGE COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)O[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)c1C 913149914 HCDHLNBCCPAEJK-LCFYDWBQSA-N 468.598 4.082 50 10 JIGE C=C(C)Cn1c(SCC(=O)NNc2ccccc2OC(F)(F)F)nnc1-c1ccco1 1617227722 PQEGXKIQEKEGEM-UHFFFAOYSA-N 453.446 4.248 50 10 JIGE Cc1ccc(C(=O)NN=C2CCCc3oc(C(=O)NNC(=O)c4cccc(Cl)c4)c(C)c32)cc1 1772745270 WVLBSVSCLKJQIT-UHFFFAOYSA-N 478.936 4.095 50 10 JIGE N#C/C(=C\c1cccc(Br)c1)C(=O)Nc1ccc(Br)cc1C(=O)O 1866130776 LNWLCKFOPHCIAN-IZZDOVSWSA-N 450.086 4.455 50 10 JIGE N#CSc1ccc(NC(=O)[C@H](NC(=O)c2cccc(N3CCCC3=O)c2)c2ccccc2)cc1 1866611580 AHJIKAZFGKQBPP-XMMPIXPASA-N 470.554 4.496 50 10 JIGE CC(C)[C@H](C(=O)N[C@@H](CO)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Cl)c(Cl)c1 1866992962 BOVIXUHYPBCBFJ-OALUTQOASA-N 466.390 4.422 50 10 JIGE CCOC(=O)[C@@H](Br)Cc1ccc(Cl)c(I)c1Cl 1945188508 PBDTTZOBKKAQSR-ZETCQYMHSA-N 451.913 4.467 50 10 JIGE CC1(C)C[C@H](CBr)CN1c1ncc(I)cc1Br 2015768506 UPXSNMDKJJSGIX-MRVPVSSYSA-N 473.978 4.449 50 10 JIGE ClCc1ccc(Br)c(I)c1I 2059980519 WSBDOGLZEYBITI-UHFFFAOYSA-N 457.274 4.397 50 10 JIGE COc1ccc(CNCCSSCCNC(=O)OC(C)(C)C)c(Br)c1 2061264350 PGOSZWYQLMOYJJ-UHFFFAOYSA-N 451.452 4.453 50 10 JIGE CS(=O)(=O)c1csc([C@@H](Br)c2ccc(F)cc2I)c1 2093075563 YDHSDTCEPXPBIF-LBPRGKRZSA-N 475.142 4.380 50 10 JIGE O=C(c1scc(Br)c1Br)N1CCO[C@@H]2C[C@@H](Br)C[C@H]21 2128876026 CVLQEVQWEFTUII-NBEYISGCSA-N 474.012 4.040 50 10 JIGE CP(C)(=O)[C@H]1CCCN1S(=O)(=O)c1cc(CBr)sc1Br 2179774911 IJUVINMVRDJJPG-JTQLQIEISA-N 465.169 4.139 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1[C@H]2CC[C@H]1[C@@H](F)[C@@H](Br)C2 2190680409 WHFCFCHJQDQNGZ-JBSCMGISSA-N 472.523 4.423 50 10 JIGE O=C(N[C@@H](CBr)C[C@@H]1CCOC1)c1c(Br)cccc1Br 2195496013 QJSSWPPPVDYAIV-VHSXEESVSA-N 469.999 4.132 50 10 JIGE Cc1cc(CN(C)S(=O)(=O)CCC(F)(F)CBr)sc1Br 2202306615 VYCWUYKHBZETTO-UHFFFAOYSA-N 455.184 4.001 50 10 JIGE Cc1ccc(I)c(C(=O)N2CC[C@H](CCBr)[C@H](C)C2)c1 2240921907 LUSNVSXAHOTPTK-OLZOCXBDSA-N 450.158 4.483 50 10 JIGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1cc(Br)ccc1O 2303700398 XOWFOZXQNJKQMP-HNNXBMFYSA-N 457.162 4.255 50 10 JIGE CCOC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N(CC)CC)c1 2314476581 RFMLZOWAAXBKAU-UHFFFAOYSA-N 478.574 4.040 50 10 JIGE COc1cc(Cl)c(CBr)c(N2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)c1 2365805854 PLFOBZOSDNPYMX-LEWJYISDSA-N 451.792 4.333 50 10 JIGE CCOc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(I)c1OC 8451661 FHWSLVNLYIFACD-UHFFFAOYSA-N 464.259 4.209 50 10 JIGE CCOC(=O)c1sc(NC(=O)CCCS(=O)(=O)c2ccc(C)cc2)c(SC#N)c1C 9912846 LIDZVXLUFRFLFO-UHFFFAOYSA-N 466.606 4.307 50 10 JIGE CC(C)COc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(OCc3ccccc3)cc2)cc1 14030676 SELFIDAXUXUWRF-UHFFFAOYSA-N 477.586 4.250 50 10 JIGE COC(=O)c1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(C)cc1)CCC2 40804663 YPUSFGIOUSBVDY-VFCFBJKWSA-N 459.502 4.406 50 10 JIGE Cc1c(C(=O)N2CCc3ccccc3C2)oc2c1/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 40812224 BFDSZBSQPJKAOX-SZXQPVLSSA-N 472.501 4.165 50 10 JIGE CCOC(=O)/C(C#N)=C/c1cccc(OC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)c1 40935756 CMXIDEYAWXWZEL-XMHGGMMESA-N 466.449 4.176 50 10 JIGE O=C(NC[C@H]1CCC[C@@H]1CBr)c1ccc(I)c(Cl)c1 232349435 FCNDZCCCCPPMDK-GHMZBOCLSA-N 456.549 4.486 50 10 JIGE Cc1ccccc1C(=O)Oc1ccc(C=NNC(=O)CNC(=O)c2cccc3ccccc23)cc1 254832688 HRBATXMHRNAYKN-UHFFFAOYSA-N 465.509 4.248 50 10 JIGE Cc1nn(-c2ccccc2)c(N2CCCCC2)c1C=NNC(=O)c1ccc(N2CCCC2=O)cc1 1084059798 AHFGHHGJUJMJNU-UHFFFAOYSA-N 470.577 4.062 50 10 JIGE CCOc1cc(/C=C(\C#N)C(=O)N(C)C)cc(Br)c1OCc1ccc(C(=O)O)cc1 1084351127 RKTYYGLCVXOBNB-RQZCQDPDSA-N 473.323 4.120 50 10 JIGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)ccc1OCc1ccc2c(c1)OCO2 1084484609 GLVMNUVRRNZDFG-JOCHJYFZSA-N 476.529 4.357 50 10 JIGE C[C@@]1(CBr)CCN1C(=O)c1ccc(I)c(Br)c1 1947982123 MXWKADGWAKUUFI-LBPRGKRZSA-N 472.946 4.053 50 10 JIGE CC[C@@H](Br)CN(C)C(=O)c1cc(Br)ccc1I 1999381080 YGGJCSMBICIAHL-MRVPVSSYSA-N 474.962 4.299 50 10 JIGE O=C(c1cc(Br)sc1Br)N1C[C@@H]2[C@@H](CBr)C[C@H]2C1 2053979931 GGZGATPPSHTRHH-BKPPORCPSA-N 458.013 4.376 50 10 JIGE CCCN1CC[C@H]([C@@H](Cl)c2cc(Br)c(Br)s2)S1(=O)=O 2089512415 XWDYASXOOCSZNK-ZJUUUORDSA-N 451.633 4.367 50 10 JIGE C[C@@](CCl)(NC(=O)c1cc(Br)ccc1I)C(F)(F)F 2105090368 BXOLUQNINPQJEM-JTQLQIEISA-N 470.454 4.343 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CCC2(CC(Cl)C2)C1 2117410522 WUSMBPPUJRFJSO-UHFFFAOYSA-N 454.533 4.287 50 10 JIGE Cc1sc(CBr)cc1S(=O)(=O)N1CC2(CC(OCc3ccccc3)C2)C1 2123231413 DOVWJWRJALFOJK-UHFFFAOYSA-N 456.427 4.321 50 10 JIGE Clc1ccc(I)c(CN2CC[C@]3(C[C@@H](Br)CO3)C2)c1 2137137364 XSPBBYYSSPECLH-RISCZKNCSA-N 456.549 4.073 50 10 JIGE COCC(C)(C)N(Cc1ccccc1)S(=O)(=O)c1cc(CBr)ccc1OC 2179857704 CZNURPWCTBGULZ-UHFFFAOYSA-N 456.402 4.206 50 10 JIGE FC(F)(F)c1cnc(N2CC[C@H](Br)[C@H]3CC[C@H]32)c(I)c1 2190263620 LGHLYBVPHIDUKD-WCABBAIRSA-N 461.063 4.457 50 10 JIGE O=S(=O)(N[C@@H]1CC[C@H]1CBr)c1c(Cl)cc(Br)cc1Cl 2225384068 FSZSMHAXTVHLRJ-QUBYGPBYSA-N 451.995 4.208 50 10 JIGE Clc1cc(CN2C[C@H]3OCCC[C@]3(CBr)C2)ccc1I 2238847753 DHWZAIFFVBACHX-CABCVRRESA-N 470.576 4.321 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N1CC2(CC(CBr)C2)C1 2295314014 SBCLVSJECLFZPO-UHFFFAOYSA-N 466.011 4.388 50 10 JIGE COc1cc(C=C(C#N)c2ccccc2)ccc1OC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O 2314720417 NNNOBDZHLUEOCR-KRWDZBQOSA-N 452.466 4.349 50 10 JIGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1cc2ccccc2oc1=O 2314754954 JZBBJXXMVDTAGM-UHFFFAOYSA-N 484.464 4.227 50 10 JIGE COc1cc(C(=O)NCC(O)=C(C#N)c2nc(-c3ccc(F)cc3F)cs2)cc(OC)c1OC 2331286788 KBTGIANHKJHEDY-UHFFFAOYSA-N 487.484 4.337 50 10 JIGE C=CC[C@H](Cl)[C@@H]1CCN1C(=O)c1ccc(Br)cc1I 2335813386 HUGJFSDIUDDTPO-AAEUAGOBSA-N 454.533 4.452 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1C[C@H]2CC[C@@]2(CBr)C1 2340056673 IUKXPERASMXBIS-YMTOWFKASA-N 454.533 4.192 50 10 JIGE C[C@H](Br)[C@@H](NC(=O)c1ccc(Cl)cc1I)C(F)(F)F 2340058176 PXGKQFOWGRDFRP-SSDLBLMSSA-N 470.454 4.389 50 10 JIGE O=C(COc1ccc(Br)cc1Br)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 12583786 TXXJMQZYYFKJQR-FBCYGCLPSA-N 491.523 4.302 50 10 JIGE O=C(NNC(=O)c1cc(Br)ccc1OCCc1ccccc1)c1ccc([N+](=O)[O-])cc1 14665559 JNBRTGIIOKKMLI-UHFFFAOYSA-N 484.306 4.054 50 10 JIGE Cc1cc(I)ccc1NC(=O)CCC(=O)N/N=C/C=C/c1ccccc1 27498045 DGAOSPWOYJLJHL-OWTPYQNBSA-N 461.303 4.134 50 10 JIGE O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1c(O)ccc2cc(Br)ccc12 32520649 AQKKLSVJPCYPQX-LSHDLFTRSA-N 455.337 4.427 50 10 JIGE CC(C)[C@@H](Br)CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 126963246 HBNFZGJARVUNEF-QMMMGPOBSA-N 454.011 4.454 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N(C)CC2CC(Br)C2)cc1Br 155826473 ZTIMQOCAQSKQBL-UHFFFAOYSA-N 490.055 4.314 50 10 JIGE C[C@@H]1CN(Cc2ccccc2)CCN1S(=O)(=O)c1cc(CCl)ccc1Br 382639669 ALYWCMTWHKWTHS-OAHLLOKOSA-N 457.821 4.083 50 10 JIGE Brc1ccc([C@@H]2CN(Cc3ccccc3)C[C@@H]2CI)cn1 382732785 VJGSHQFUDGYULI-HOTGVXAUSA-N 457.153 4.495 50 10 JIGE CC[C@@H]1CN(S(=O)(=O)c2cc(Br)c(C)cc2Br)C[C@@H]1Br 399894160 ZOWMGAIFMDOAGY-SKDRFNHKSA-N 490.055 4.314 50 10 JIGE CC(C)N(C[C@@H](C)Br)S(=O)(=O)c1cc(Br)ccc1Br 691368700 BGVLHYIICUNSMQ-SECBINFHSA-N 478.044 4.394 50 10 JIGE Cc1cc(/C=C(\C#N)C(=O)Oc2ccccc2C(=O)N2CCOCC2)c(C)n1-c1ccc(F)cc1 790920740 BXDMLWAPQCLTFV-LTGZKZEYSA-N 473.504 4.218 50 10 JIGE Cc1csc(N2CCN(C(=O)/C(C#N)=C\c3cn(CCC#N)nc3-c3ccc(Cl)cc3)CC2)n1 915198107 FZEYSYGIXHZKRU-UYRXBGFRSA-N 492.008 4.138 50 10 JIGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(C)n(-c3cccc(C(=O)O)c3C)c2C)cc1 1084052412 MHMZYSSQBHXCSK-RUZDIDTESA-N 477.561 4.463 50 10 JIGE COc1c(C(=O)NN=C2C(=O)N(Cc3cccc([N+](=O)[O-])c3)c3ccccc32)ccc2ccccc12 1084371167 HKGSWXUGIHMIAB-UHFFFAOYSA-N 480.480 4.438 50 10 JIGE COc1cc(Cl)c(C=NNC(=O)COc2ccc(Cl)cc2Br)cc1OC 1084556677 WRGWDXDSSHMHHA-UHFFFAOYSA-N 462.127 4.302 50 10 JIGE O=C(NNc1nc(Cl)c(C(F)(F)F)cc1Cl)NS(=O)(=O)c1ccccc1Cl 1088699505 ZSTMZAKDQXLVDC-UHFFFAOYSA-N 463.652 4.076 50 10 JIGE CC(=O)CCc1ccc(OCC(=O)NNC(=O)c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)cc1 1587070414 WBWWQDOQWRXDNO-LJQANCHMSA-N 456.608 4.261 50 10 JIGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)cc1O 1865682174 HXHPATIPEPGHHN-KRWDZBQOSA-N 460.387 4.022 50 10 JIGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@H](c2ccc(C(=O)O)cc2)C(C#N)=C(N)O3)cc1 1865708856 HRBXNWNSHFTSCA-HSZRJFAPSA-N 494.507 4.473 50 10 JIGE CC(C)CN(CCBr)c1ncc(I)cc1Br 1988535752 DYHYDTFKUMQEHH-UHFFFAOYSA-N 461.967 4.306 50 10 JIGE CC[C@H](Br)CN(C)C(=O)c1cc(I)ccc1Br 1999380669 SWVTYZAQCZNTLX-QMMMGPOBSA-N 474.962 4.299 50 10 JIGE CC[C@H]1CN(C(=O)c2cc(Cl)ccc2I)C[C@H]1CBr 2140789667 USCFKHQUNSYHSI-VHSXEESVSA-N 456.549 4.438 50 10 JIGE Cc1sc(CBr)cc1S(=O)(=O)N1C[C@H](C)CN(Cc2ccccc2)C[C@@H]1C 2179822396 WJOMRNHCOZXEOM-CVEARBPZSA-N 471.486 4.483 50 10 JIGE Cc1csc(CBr)c1S(=O)(=O)N1CCN(Cc2ccccc2)[C@@H](C(C)C)C1 2179822814 BARLHPMLOFJIQP-GOSISDBHSA-N 471.486 4.483 50 10 JIGE O=C(c1cc(I)ccc1F)N1CC2(CCC(Br)CC2)C1 2181092763 RLOHQSHMLDMRAR-UHFFFAOYSA-N 452.105 4.210 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1CC[C@H](Br)[C@H]2CC[C@@H]21 2190250167 QHDWFNMDCSIJPJ-SCVCMEIPSA-N 488.039 4.148 50 10 JIGE O=S(=O)(c1cc(Cl)c(Br)s1)N1[C@H]2CC[C@H]1[C@H](F)[C@@H](Br)C2 2190678359 LCHOEIGZRKYFTJ-UEGXPFIPSA-N 467.607 4.191 50 10 JIGE COc1ccc(C(=O)NC2=NC(=C(C#N)C(=O)Nc3cc(C)cc(C)c3)c3ccccc32)cc1 2296215373 OIGSXYAGNKKFHX-UHFFFAOYSA-N 450.498 4.376 50 10 JIGE COc1ccc(C(=O)Oc2cc(C=C(C#N)C(=O)Nc3ccccc3[N+](=O)[O-])ccc2OC)cc1 2297400015 YDQRFMIEVUUHSG-UHFFFAOYSA-N 473.441 4.377 50 10 JIGE BrC[C@@H]1[C@H]2CN(Cc3ccc(I)c(Br)c3)C[C@H]21 2306222051 PBHDYMYAKCUSTQ-RTCCRHLQSA-N 470.974 4.126 50 10 JIGE CC(C)(C)OC(=O)NC[C@@](C)(CI)O[C@H]1CCCCC12CCOCC2 2319694603 ZDEBGTCRQQGBCW-MAUKXSAKSA-N 467.388 4.461 50 10 JIGE O=S(=O)(N[C@H](CCBr)COCc1ccccc1)c1ccc(Cl)cc1F 2320407194 YGSVFXOUKCAJNS-OAHLLOKOSA-N 450.757 4.128 50 10 JIGE O=C(c1csc(I)c1)N1CC[C@@H](Br)C[C@@H]1C(F)(F)F 2336323244 AXODKNZJMHVPBH-HTQZYQBOSA-N 468.076 4.283 50 10 JIGE Cc1cc(OCC(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Br)ccc1Cl 14644143 FOIWEFQVCWTDDA-NSHDSACASA-N 476.154 4.058 50 10 JIGE COc1ccc(NC(=O)[C@H](NNC(=O)c2cn(C)c3ccccc23)c2ccccc2)cc1Cl 15501159 ZBZLMGDVFXYFGB-HSZRJFAPSA-N 462.937 4.455 50 10 JIGE O=C(COc1ccccc1-c1ccccc1)NNC(=O)c1cccc(OCc2cscn2)c1 16232857 HUDRNEDLKGJBLE-UHFFFAOYSA-N 459.527 4.229 50 10 JIGE COc1ccc(CCN(Cc2ccc(C)s2)C(=O)CN(CC(C)C)C(=O)CCl)cc1OC 35797305 LHDMTROPYSGVDD-UHFFFAOYSA-N 481.058 4.368 50 10 JIGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)N/N=C/c1ccc(F)c(F)c1 59261920 IIBPYPMDXNEYEG-KBKYJPHKSA-N 476.940 4.250 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2CCC(CBr)CC2)cc1Br 155824387 AIBVIPAEANRAOF-UHFFFAOYSA-N 490.055 4.316 50 10 JIGE COCCOCCCO[C@@](C)(CI)c1ccccc1Br 234821081 KTYVZZCCDKHILP-HNNXBMFYSA-N 457.146 4.169 50 10 JIGE CC(=NNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1C)c1cccc(O)c1 254402984 NPVGQYYLMRSNKG-UHFFFAOYSA-N 458.543 4.032 50 10 JIGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccc(C)cc3)cc2OC)cc1 254629884 LUSHHFBRBYOAOI-UHFFFAOYSA-N 489.528 4.100 50 10 JIGE COc1cc(N)ccc1[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CI 382709066 GHHSZALXRBJGNP-MAUKXSAKSA-N 466.319 4.065 50 10 JIGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(-c3ccc(C(=O)O)cc3C)o2)cc1 725399447 XERMSOGBSVLQPJ-JOCHJYFZSA-N 450.491 4.316 50 10 JIGE N#CCCn1cc(/C=C(\C#N)C(=O)OCC(=O)N[C@H]2CCCc3ccccc32)c(-c2ccccc2)n1 761386631 PCLIAMOBLCKPIL-YHHBSCGTSA-N 479.540 4.108 50 10 JIGE COc1ccccc1NC(=O)C(=O)NN=Cc1cc(C)n(-c2ccccc2C(F)(F)F)c1C 1084237814 YQVJZROSAFUKMO-UHFFFAOYSA-N 458.440 4.210 50 10 JIGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2cc(Cl)ccc2OC(F)(F)F)cc1 1205490914 DPUMHIGIDMKORZ-NSHDSACASA-N 459.808 4.061 50 10 JIGE CC(=O)c1ncc(C(=O)NNC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)s1 1649388062 HUJBGYVMNAODQI-UHFFFAOYSA-N 450.907 4.289 50 10 JIGE COc1ccc(NC(=O)[C@@H](C)Oc2cccnc2NC(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1 1858685346 LUFVPGZTKCAGKL-CYBMUJFWSA-N 470.413 4.154 50 10 JIGE CCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1cc(Br)c(O)c(OC)c1)C(C#N)=C(N)O2 1865689061 JBLACCXRCQPFNM-HXUWFJFHSA-N 495.377 4.497 50 10 JIGE CCCC[C@@H](NC(=O)c1cccc(N2CCCC2=O)c1)C(=O)Nc1ccc(SC#N)cc1 1866612258 RDNGIJDHVMSYJZ-OAQYLSRUSA-N 450.564 4.314 50 10 JIGE C[C@@H](CCBr)N(C)C(=O)c1ccc(Br)cc1I 2026217842 NIWPAQWILGSCPA-QMMMGPOBSA-N 474.962 4.299 50 10 JIGE C[C@@]12CN(C(=O)c3cc(Br)ccc3Br)C[C@]1(CBr)C2 2109182619 MZTNDFLUUFVPTG-ZIAGYGMSSA-N 451.984 4.459 50 10 JIGE C[C@H]1CN(C(=O)c2scc(Br)c2Br)C[C@@H](CCBr)O1 2122797124 DDRFIOMTHLLPIV-JGVFFNPUSA-N 476.028 4.288 50 10 JIGE Cc1sc(CBr)cc1S(=O)(=O)N(C)C1CCN(Cc2ccccc2)CC1 2123225505 QARZCSUEBSLOFS-UHFFFAOYSA-N 457.459 4.237 50 10 JIGE C[C@@H](Br)C[C@H]1COCCN1Cc1ccc(I)c(Cl)c1 2142945655 XDZXHNANIMVCTF-PWSUYJOCSA-N 458.565 4.319 50 10 JIGE O=S(=O)(NC[C@H]1CCCC2(CCC2)[C@@H]1Br)[C@H]1C[C@H](OCc2ccccc2)C1 2161299051 WJEBUBHAIDNYAJ-UAFMIMERSA-N 456.446 4.388 50 10 JIGE O=C(N[C@@H]1CC[C@@H](C(F)(F)F)N(CC2(CBr)CCCCC2)C1)C(F)(F)F 2163058514 LCWQSNUGBWDBSC-NEPJUHHUSA-N 453.265 4.406 50 10 JIGE O=C(c1cccc(I)c1)N1CC[C@@](CBr)(C(F)(F)F)C1 2167681902 YQGNBXKZLQBWLP-LBPRGKRZSA-N 462.047 4.081 50 10 JIGE O=S(=O)(c1ccsc1CBr)N1CCC[C@H]1[C@@H]1CCN(Cc2ccccc2)C1 2179868835 PMJYKSUTRRATBA-MSOLQXFVSA-N 469.470 4.318 50 10 JIGE O=S(=O)(C[C@H](Br)c1ccc(Cl)c(I)c1)N1CCCCC1 2283583132 MPAGXWMERVMANC-NSHDSACASA-N 492.604 4.196 50 10 JIGE CCCOc1ccc(C=NNC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)cc1OCC 2325903663 PEGQGJQUQJDGJT-UHFFFAOYSA-N 490.585 4.463 50 10 JIGE COC1=C/C(=C/NNC(=O)c2cc(-c3cccc(OC(C)C)c3)nc3ccccc23)C=CC1=O 13120506 OCICOOHCHBUPKA-FBMGVBCBSA-N 455.514 4.477 50 10 JIGE CCCCCOc1ccc(C(=O)NNC(=O)COc2ccc(CC)cc2Br)cc1 14029509 VEUTZOVUIMCGQL-UHFFFAOYSA-N 463.372 4.421 50 10 JIGE COC(=O)c1ccc(Nc2ncnc(NNC(=O)C(c3ccccc3)c3ccccc3)c2[N+](=O)[O-])cc1 40649816 UWCSQOLIWPMBKB-UHFFFAOYSA-N 498.499 4.190 50 10 JIGE COc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(F)cc2)CCC3)c(OC)c1 40811916 JFHNGZRUZYTQQH-TURZUDJPSA-N 465.481 4.467 50 10 JIGE C/C(=N/NC(=O)c1ccc(CSc2nc(C)cc(C)n2)cc1)c1ccc(N2CCOCC2)cc1 89600630 NYDRCFKZNKUZJF-BRPDVVIDSA-N 475.618 4.376 50 10 JIGE CC1=NN(c2ccccc2)C(=O)/C1=C/Nc1ccccc1S(=O)(=O)C(F)(F)[C@H](F)Cl 102936997 KEUKGAJTGPTHKZ-BJRSVTDJSA-N 457.861 4.306 50 10 JIGE C[C@@H](Br)C1CCN(S(=O)(=O)c2cc(Cl)c(Br)s2)CC1 235143617 DXRLBUFGJSWFPF-SSDOTTSWSA-N 451.633 4.348 50 10 JIGE O=C(NC[C@H]1CCC[C@H]1CBr)c1cc(Cl)ccc1I 236066592 RAPLAGQGSJYREW-VHSXEESVSA-N 456.549 4.486 50 10 JIGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2ccc(O)c(F)c2)C1 383437579 XXVKLGXKYZTEMM-HZPDHXFCSA-N 455.267 4.319 50 10 JIGE CC(C)(C)[Si](O[C@H]1C=CO[C@H](COC(=O)c2ccccc2)[C@H]1O)(c1ccccc1)c1ccccc1 616588080 KHVKFQYBXKAWHO-VJGNERBWSA-N 488.656 4.062 50 10 JIGE C[C@@H]1CCCN(C(=O)c2ccc(I)c(O)c2)[C@@H]1CCBr 697197978 DKBYZZXZEKBTSP-ZWNOBZJWSA-N 452.130 4.023 50 10 JIGE CC(=NNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1)c1cccc(Br)c1 1084349813 VNUJKFOCIVJVDF-UHFFFAOYSA-N 486.391 4.185 50 10 JIGE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1609508027 YRTDMADUBAGKIK-GFCCVEGCSA-N 452.817 4.093 50 10 JIGE Cc1c(C(=O)NCCc2ccccc2)oc2c1C(=NNC(=O)c1cncc(Br)c1)CCC2 1772747942 TUKOPJNKBHLRQE-UHFFFAOYSA-N 495.377 4.188 50 10 JIGE CN1CCN(c2ccc(NC(=O)[C@H](Br)Cc3ccccc3Br)cc2)CC1 1858180980 BHTHJZQBWYMLLO-LJQANCHMSA-N 481.232 4.146 50 10 JIGE CCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865695585 DYVGIKSQJGNLKC-LJQANCHMSA-N 467.323 4.130 50 10 JIGE COc1ccc(/C=C(\C#N)C(=O)Nc2nc(C)c(C(=O)OCc3ccccc3)s2)cc1OC 1866130336 PEOGZBFXSVEZJB-WOJGMQOQSA-N 463.515 4.371 50 10 JIGE COc1cc(/C(O)=C(\C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)c([N+](=O)[O-])cc1OC 1872750596 HRHSULMJBPZSNS-STZFKDTASA-N 467.459 4.457 50 10 JIGE CCN([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(CCl)oc1Br 1915019127 SHCBKXLQXOCCND-HNNXBMFYSA-N 461.809 4.066 50 10 JIGE O=C(NC[C@@H](Br)CBr)c1cc(Br)c(Br)s1 1961822714 KIMSTERQWUFXPT-BYPYZUCNSA-N 484.833 4.161 50 10 JIGE CC(C)(C)OC(=O)Nc1ccc(C(=O)NC[C@H]2C[C@@H]2Br)cc1I 1991435070 DRPJCGIXXYMITG-MNOVXSKESA-N 495.155 4.151 50 10 JIGE Cc1ccc(Br)c(C(=O)N(C)C[C@@H](Br)COCc2ccccc2)n1 2003266345 FUMHDEHPLHWZQX-OAHLLOKOSA-N 456.178 4.205 50 10 JIGE O=C(N[C@H]1CCC[C@@H]1Br)c1ccc(Br)cc1I 2026216044 CWGARJUCZLJQGD-ONGXEEELSA-N 472.946 4.100 50 10 JIGE O=C(CBr)c1ccc(I)c(Br)c1Br 2054857963 YRPKCXNOQXTAOW-UHFFFAOYSA-N 482.735 4.394 50 10 JIGE O=S(=O)(N[C@H]1C[C@H](CBr)C1)c1c(Cl)cc(Br)cc1Cl 2090077082 HFLPGGVVWDYCGO-FKQCQYRASA-N 451.995 4.208 50 10 JIGE C[C@@H](CCCCCI)NS(=O)(=O)c1ccc(Br)cc1 2117893244 HLFRSAQJGKYGLZ-NSHDSACASA-N 460.175 4.111 50 10 JIGE O=C(N[C@H]1COC2(CCC2)[C@H]1Br)c1csc(Br)c1Br 2141536442 JBQWMQLVZSOWNF-CBAPKCEASA-N 474.012 4.088 50 10 JIGE O=C(N[C@H]1C(F)(F)C12CC(NC(=O)[C@@H](Br)C1CCCC1)C2)OCc1ccccc1 2142152362 JTCWHPFHEWRVNQ-CAZWYBIWSA-N 471.342 4.149 50 10 JIGE CN([C@@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(CCl)c(Br)c1 2144842018 PWPXQRRNYZTIRU-GOSISDBHSA-N 471.848 4.473 50 10 JIGE C[C@H]1CN(S(=O)(=O)c2cc(CCl)ccc2Br)[C@@H](C)CN1Cc1ccccc1 2152184896 QANLAXNFVHUROG-HOTGVXAUSA-N 471.848 4.471 50 10 JIGE C[C@H](c1nccs1)N(C)S(=O)(=O)c1cc(CBr)sc1Br 2179790561 GCJIWJYKBDGURU-SSDOTTSWSA-N 460.238 4.244 50 10 JIGE CC1(C)C[C@@](C)(CBr)CN1C(=O)c1ccc(F)cc1I 2199538678 LGATVOHKEDOBLA-HNNXBMFYSA-N 454.121 4.456 50 10 JIGE O=C(N[C@@H]1COC2(CCC2)[C@H]1Br)c1cc(Br)ccc1Br 2206484068 HQEJZLFKVBUPLZ-NEPJUHHUSA-N 467.983 4.026 50 10 JIGE CN(C[C@@H]1C[C@@H]1Br)C(=O)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229137065 XNNJRESWIYIKTJ-CWRNSKLLSA-N 490.236 4.127 50 10 JIGE CC(C)[S@](=O)(=NCCCCI)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2243589693 SOOADPUNAOBOJV-QKFKETGDSA-N 458.406 4.087 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1CC2(CC2)C[C@@H]1CBr 2268352740 QKVZFVRYSZWDFS-SNVBAGLBSA-N 454.533 4.334 50 10 JIGE O=C(NN=Cc1ccc([N+](=O)[O-])o1)c1scc2c1NC(=O)C2(c1ccccc1)c1ccccc1 2297677902 RZKPIDIJARDAEM-UHFFFAOYSA-N 472.482 4.300 50 10 JIGE Cc1ccc(C)c(OCC(=O)NN=Cc2cc(O)c(Br)cc2Br)c1 2297708199 MZFMACLALVAVMA-UHFFFAOYSA-N 456.134 4.063 50 10 JIGE O=C(Cc1ccccc1Br)N[C@H](CCBr)COCc1ccccc1 2303544625 GGRMKGRLNFYPKT-QGZVFWFLSA-N 455.190 4.478 50 10 JIGE Brc1cc(CN2C[C@H]3C[C@H](Br)[C@H]2C3)ccc1I 2306229558 WYLGGRSKIHUKPS-XHVZSJERSA-N 470.974 4.411 50 10 JIGE CC(C)CC(CBr)(CBr)Cc1ncc(I)cn1 2307622858 DAVNWIOYBDHJOR-UHFFFAOYSA-N 475.994 4.446 50 10 JIGE CNC(=O)C(C#N)=C1S[C@@H](Cc2cccc(C(F)(F)F)c2)C(=O)N1c1ccc(C)c(C)c1 2314593409 MLQCFBNYHKKMME-IBGZPJMESA-N 459.493 4.495 50 10 JIGE CCCCOc1ccc(C=C(C#N)C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cc1 2314734599 DIFIDXYJDXIMLI-UHFFFAOYSA-N 455.561 4.424 50 10 JIGE FC(F)(CCl)C(F)(F)CNc1ncc(I)cc1Br 2314950548 XHFPFYOTVAJTBE-UHFFFAOYSA-N 461.422 4.370 50 10 JIGE O=C(N[C@H]1C[C@@H](CBr)[C@@H]2C[C@H]12)c1c(Br)cccc1Br 2329870260 MXKWNWDPKXVDPF-PEFMBERDSA-N 451.984 4.361 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@H]2C[C@@H](CBr)[C@H]2C1 2330496216 GWEKIWBVNLOBSX-YGOYTEALSA-N 498.984 4.157 50 10 JIGE COC[C@@]1(CBr)C=CCN1Cc1cc(Br)ccc1Br 2351719968 XWGPQAGXKIEKGS-AWEZNQCLSA-N 454.000 4.364 50 10 JIGE COC[C@]1(CBr)C=CCN1C(=O)c1csc(Br)c1Br 2351724657 UDOVFTVUWIDALE-GFCCVEGCSA-N 474.012 4.065 50 10 JIGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2cccs2)cc1Br 14641125 KMUNVZOVIRWVEH-UHFFFAOYSA-N 484.441 4.419 50 10 JIGE COc1cc(C=NNC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 15018732 FXLOGZKEYPQJEG-UHFFFAOYSA-N 476.489 4.002 50 10 JIGE CNC(=O)/C(C#N)=C1/S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(F)cc1 33437225 MAIVRDMLPXYZLE-AWZALFRUSA-N 450.322 4.305 50 10 JIGE COc1ccc2c(c1)/C(=N\NC(=O)COc1ccc(Cl)cc1Cl)C(=O)N2CCC(C)C 33959395 PHZPJLVMSUBYTE-YYADALCUSA-N 464.349 4.294 50 10 JIGE Cc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)N3CCN(c4ccccc4)CC3)c(C)c21 40811462 VKUMRGWXXHCKRX-BYNJWEBRSA-N 470.573 4.329 50 10 JIGE CCCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2)cc1 100154394 XEFMWOPVBYPDNK-UHFFFAOYSA-N 478.014 4.404 50 10 JIGE O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)c1ccc(NS(=O)(=O)/C=C\c2ccccc2)cc1 111663143 BYLHHVGOKSMSKQ-KHPPLWFESA-N 493.629 4.467 50 10 JIGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(OC)cc4)ccc32)cc1 205656142 SJWIHMJYFCJFKS-GPDVAYOPSA-N 482.492 4.319 50 10 JIGE CCCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc3cc(C(=O)NCC)c(=O)oc3c2)cc1 206544580 WWKHYLZRYFULLD-UYRXBGFRSA-N 460.486 4.234 50 10 JIGE CCN(CC)c1ccc(C=NNC(=O)CCC(=O)Nc2ccccc2I)cc1 252638712 YETINRPUAKEXHW-UHFFFAOYSA-N 492.361 4.006 50 10 JIGE C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)NN=Cc2c(F)c(F)c(F)c(F)c2F)cc1 254835939 DTIYWZIQQFQVCM-BETUJISGSA-N 483.437 4.314 50 10 JIGE Cc1cc(C)cc(N(CC(=O)NN=Cc2c(F)cccc2Cl)S(=O)(=O)c2ccccc2)c1 725422327 NXNSXQFBPYSRIT-UHFFFAOYSA-N 473.957 4.442 50 10 JIGE CC(C)(C)OC(=O)NC1(C(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)CCCC1 727113360 IATGFICGWQLZGT-UHFFFAOYSA-N 471.529 4.003 50 10 JIGE Cc1cc(/C=C(/C#N)C(=O)OCC(=O)c2ccc3c(c2)CC(=O)N3C)c(C)n1-c1ccc(F)cc1 729350595 DLNSXJXKSANRAD-MTJSOVHGSA-N 471.488 4.085 50 10 JIGE CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNC(=O)CN2CCCc3ccccc32)cs1 916309914 OFLHMMPAFXAUAS-UHFFFAOYSA-N 467.982 4.384 50 10 JIGE Cc1cc(/C=C(/C#N)C(=O)NCc2ccc(OCc3ccccn3)cc2)c(C)n1C[C@@H]1CCCO1 917755829 IBFRVMZNRORXKN-LKWZWFHSSA-N 470.573 4.481 50 10 JIGE C=CCOc1ccc(C=NNC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc1 1084097627 WSWRDEOHCSYEJR-UHFFFAOYSA-N 481.549 4.045 50 10 JIGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](C)N3C(=O)c4ccccc4C3=O)n2)cc1OC 1872745270 FLZRFRCBZZRSKM-ZCBJIMFGSA-N 461.499 4.305 50 10 JIGE O=C(NNc1ccccn1)[C@@H]1CCCN(C(=O)CCCOc2ccc(Br)cc2Cl)C1 1873777930 WVAFGKLZYCYNEO-OAHLLOKOSA-N 495.805 4.038 50 10 JIGE N#CC(=CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)S(=O)(=O)c1ccc(Cl)cc1 2041576635 RHVHIRGPWNQLCB-UHFFFAOYSA-N 491.322 4.368 50 10 JIGE CN(C[C@H]1C[C@@H](Br)C1)[C@H](CN)c1scc(Br)c1Br 2076250861 QTVWSPHHWYJVSQ-KHQFGBGNSA-N 461.061 4.378 50 10 JIGE Clc1cc(CN2CCC(OCCBr)CC2)ccc1I 2142943517 MSLLFLZYRLUXTA-UHFFFAOYSA-N 458.565 4.321 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2CC(C)(C)[C@H]2CBr)cc1Br 2148960458 AYVIHYHJBYFPFG-GFCCVEGCSA-N 490.055 4.314 50 10 JIGE CCN1CCC[C@H]([C@@H](Br)c2c(Br)cccc2Br)S1(=O)=O 2150503378 LOYYSPSYSDVRGU-DGCLKSJQSA-N 490.055 4.462 50 10 JIGE COc1ccc([C@@H](Br)c2cc(I)sn2)c(OC)c1OC 2176535671 AYBGZOAWHIXKKQ-LLVKDONJSA-N 470.126 4.258 50 10 JIGE CC1(C)C[C@@](C)(CBr)CN1C(=O)Cc1ccccc1I 2199554078 MVDFZXVJZMZGJM-INIZCTEOSA-N 450.158 4.246 50 10 JIGE O=C(C1CC1)[C@H](Br)Cc1ccc(Br)cc1I 2212575223 XGMQCWPANMLYDL-SNVBAGLBSA-N 457.931 4.339 50 10 JIGE CCN(C[C@@](C)(CI)OC[C@]12C[C@](C(F)F)(CO1)C2)C(=O)OC(C)(C)C 2266241475 VEJKZCONGXPIKS-KZNAEPCWSA-N 489.341 4.268 50 10 JIGE CC(C)(C)C1CC(CBr)(NC(=O)c2cc(I)sn2)C1 2274104004 VOLMALQBNCTLNA-UHFFFAOYSA-N 457.175 4.067 50 10 JIGE O=C(N[C@@H]1C[C@H](CBr)[C@@H]2C[C@@H]12)c1ccc(Cl)cc1I 2340063586 ABRGJKANDVPRLY-DRBGRCKSSA-N 454.533 4.094 50 10 JIGE O=C(CCn1nnc2ccccc21)N/N=C/c1ccccc1OCc1cccc(Br)c1 1497848 RJYFLPHOIKSJDU-MFKUBSTISA-N 478.350 4.313 50 10 JIGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2cc(Cl)cc(Cl)c2)cc1 10506091 SWASXKHLMZHUDC-GFCCVEGCSA-N 454.379 4.221 50 10 JIGE COc1cc(/C=C2/C(=O)N(c3ccc(C)cc3)C(=O)N=C2O)ccc1OCCBr 35304530 BMLYFEUMIRRFQG-LFIBNONCSA-N 459.296 4.284 50 10 JIGE COc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)C(=O)Nc3cc(Cl)ccc3Cl)c2)cc1 48572559 QFTSFRMUEKGHLM-LGJNPRDNSA-N 486.311 4.310 50 10 JIGE COc1cc(/C=N/NC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2Cl)ccc1O 95926292 ABQBSBHIRKQRMB-SJVSIACESA-N 455.923 4.037 50 10 JIGE COCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccccc3Cl)c(OC)c2)C1=O 101335526 MBLUSCJFWWIXRH-XDHOZWIPSA-N 466.921 4.166 50 10 JIGE COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)c2nc(-c3ccc(F)cc3)no2)c1C 109551490 YVSKVZGDXZOWKX-LIEIOVMRSA-N 451.502 4.286 50 10 JIGE CCCOc1ccc(/C=N\NC(=O)c2cccn(Cc3ccc(OC)cc3)c2=O)cc1Cl 169920980 ZNBSSVNEPCHINW-YSMPRRRNSA-N 453.926 4.111 50 10 JIGE CCC(CCl)(CCl)NS(=O)(=O)c1cc(Br)ccc1Br 232948350 SYGMZFUFXYZZGU-UHFFFAOYSA-N 454.011 4.116 50 10 JIGE C[C@H]1CN(C(=O)c2cc(Br)ccc2I)CC[C@@H]1Br 235647957 SORYHHIXALGEAX-KWQFWETISA-N 486.973 4.299 50 10 JIGE Cc1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)cc1N 382716085 KJEHRUWRIMGHRW-ROUUACIJSA-N 450.320 4.364 50 10 JIGE C[C@H](CNS(=O)(=O)c1cc(Br)ccc1Br)C[C@@H](C)Br 398604753 VZDHMBOKMVVYHI-DTWKUNHWSA-N 478.044 4.300 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1CCC(F)(F)[C@@H](CBr)C1 403956707 IPCYSHCQBOJONX-VIFPVBQESA-N 478.502 4.437 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CCC[C@@H]1CBr 721594123 NRTFEGSHFBIIIS-SECBINFHSA-N 472.946 4.053 50 10 JIGE C[C@H]1CCN(C(=O)c2ccc(I)c(Br)c2)C[C@@H]1Br 721608182 FAMNHIGOQVPRLO-KWQFWETISA-N 486.973 4.299 50 10 JIGE COc1cccc(C(C)=NNC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccccc2)c1 725384416 QMXYLWDHWSCFMQ-UHFFFAOYSA-N 465.575 4.048 50 10 JIGE N#CCCn1cc(/C=C(\C#N)C(=O)N2CC[C@H](N3CCCCC3)C2)c(-c2ccc(Cl)cc2)n1 730795158 HOYMKNYOWHCFRH-FIWMFUAISA-N 462.985 4.111 50 10 JIGE CC(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)cc1 761396160 DFAZOHZDWICXHS-GNFOSXPUSA-N 481.512 4.144 50 10 JIGE C=CC1(CC(=O)NNC(=O)c2ccc(OCCCCCC)cc2)CN(C(=O)OC(C)(C)C)C1 1136132205 DJSMPDIZHCSAQO-UHFFFAOYSA-N 459.587 4.220 50 10 JIGE C#CCn1ccc(CN(CC)C(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(OCC)cc3)c2C)n1 1520240506 WYLMYCYUKQMPHX-QJOMJCCJSA-N 455.562 4.278 50 10 JIGE C=CCOc1ccc(/C=C\C(=O)NNC(=O)[C@H](C)Oc2c(C)cc(Cl)cc2C)cc1OC 1623892168 XKMXCMBGGFGQPK-PXAMLJHWSA-N 458.942 4.158 50 10 JIGE COc1cccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4cccc([N+](=O)[O-])c4)c(C)c32)c1 1772748749 DHVMTFKDRGDDTR-UHFFFAOYSA-N 462.462 4.228 50 10 JIGE CCCOc1ccc(/C=N/NC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)cc1OCC 1860773079 PEGQGJQUQJDGJT-CCVNUDIWSA-N 490.585 4.463 50 10 JIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)cc(Br)c1O 1865689645 VERMZMPPFJJDBS-LJQANCHMSA-N 467.323 4.184 50 10 JIGE N#C/C(=C\c1ccccc1)C(=O)N[C@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 1865909983 FXWGKWAPVLFFNF-QQNZBJPCSA-N 482.536 4.345 50 10 JIGE CCCC[C@@H](NC(=O)CS(=O)(=O)c1cccc(Cl)c1)C(=O)Nc1ccc(SC#N)cc1 1866883537 CREAFBMYJJOZPC-LJQANCHMSA-N 480.011 4.001 50 10 JIGE CN(c1ncc(I)cc1Br)[C@H](CCBr)C(F)F 2015762445 LAHGZFCRIVLFRY-MRVPVSSYSA-N 483.920 4.304 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1CCC(CI)CC1 2037333662 BJPYONCIPIJEPQ-UHFFFAOYSA-N 489.522 4.232 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1ccc(Br)c(Cl)n1 2061262432 OLDXHLQVWQPCNH-UHFFFAOYSA-N 470.842 4.133 50 10 JIGE CC[C@@H]1CN(C(=O)c2ccc(Br)cc2I)C[C@@H]1Br 2086151526 OXAVNRXHANESCR-KCJUWKMLSA-N 486.973 4.299 50 10 JIGE C[C@H]1CN(Cc2ccccc2)C[C@@H](C)CN1S(=O)(=O)c1ccc(CBr)s1 2123241176 FRYDAZMYBTYWJW-CVEARBPZSA-N 457.459 4.174 50 10 JIGE CC1(C)C[C@H](CBr)CN1S(=O)(=O)c1cc(Cl)c(Br)s1 2127832218 DYJXJJJTZWDQHU-SSDOTTSWSA-N 451.633 4.348 50 10 JIGE O=C(N[C@@H]1CC[C@@H]2C[C@]21CCl)c1ccc(I)c(Br)c1 2132109955 AXLIBNBVTZNTDC-IUPBHXKESA-N 454.533 4.191 50 10 JIGE O=C(N[C@@H]1CC[C@@H]2C[C@]21CBr)c1cc(Cl)ccc1I 2132116804 SEQIAIOKYVAORV-RGZBUGHASA-N 454.533 4.238 50 10 JIGE C[C@@H]1CN(C(=O)c2cc(Br)cc(Br)c2)C[C@H](CCBr)O1 2179373260 DRMRGAUTKVXWGV-RNCFNFMXSA-N 469.999 4.226 50 10 JIGE CN(Cc1ccccc1)[C@H]1CCCCN(S(=O)(=O)c2ccccc2CBr)C1 2179818836 DUXIFLRMIVNDLL-FQEVSTJZSA-N 451.430 4.257 50 10 JIGE C[C@@](CI)(O[C@H]1CN2CCC1CC2)c1ccccc1Br 2198015641 ZKZRRJDSEMUMFJ-HOTGVXAUSA-N 450.158 4.210 50 10 JIGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1C[C@@H]2C[C@H]2[C@@H]1CBr 2199023084 LAJIVUHNFTXZDY-QXHCQDJKSA-N 464.006 4.160 50 10 JIGE CC(C)(C)OC(=O)N[C@H](Cc1cccc(Br)c1)C(=O)NC[C@H]1C[C@@H](Br)C1 2229114176 NOINKRBDRQAPAX-VNQPRFMTSA-N 490.236 4.175 50 10 JIGE O=S(=O)(c1ccc(CCBr)s1)N1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 2234725836 NICKDRAIDGEKQV-HDICACEKSA-N 469.470 4.113 50 10 JIGE C[C@H](Cl)c1nc2cncnc2n1-c1cc(I)ccc1Br 2235284633 WVUDKMXMFNTWLJ-ZETCQYMHSA-N 463.504 4.482 50 10 JIGE O=C(N[C@H](CBr)C[C@H]1CCCO1)c1ccc(Cl)c(I)c1 2283661497 GVMMVBUXJLNPHH-WDEREUQCSA-N 472.548 4.007 50 10 JIGE O=C(c1cc(Br)sc1Br)N1C[C@@H]2CC[C@@H](CBr)O[C@H]2C1 2289185130 DZPHUWMXLBCSJL-NRPADANISA-N 488.039 4.288 50 10 JIGE O=C(N[C@H]1C[C@@H](CBr)[C@@H]2C[C@H]12)c1cc(Br)ccc1I 2329871236 LEUOQXAPKXVTBC-PYSAPBNWSA-N 498.984 4.203 50 10 JIGE O=C(N[C@H]1C[C@@H]([C@@H](F)CBr)C1)c1ccc(Cl)cc1I 2340057261 KXECMLSWQCLTSZ-NMLBEHRDSA-N 460.512 4.186 50 10 JIGE COC[C@@]1(CBr)C=CCN1Cc1cccc(Br)c1Br 2351719013 SXTIISXKOOZATF-AWEZNQCLSA-N 454.000 4.364 50 10 JIGE O=S(=O)(c1cc(CBr)cs1)N1CCc2scc(Br)c2C1 2361646132 OFEKKBKZIQBJLN-UHFFFAOYSA-N 457.234 4.214 50 10 JIGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)cc(OC)c1OC(=O)c1ccccc1 3014089 HTWUKHJTNDGCFV-QFIPXVFZSA-N 496.475 4.248 50 10 JIGE CCOc1ccccc1/C=N/NC(=O)CCCCCC(=O)N/N=C/c1ccccc1OCC 13988694 UTMIFVHBPSKKHQ-BFNWXZRRSA-N 452.555 4.035 50 10 JIGE CCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2Cl)cc1 14029720 VUCRWWATLYBRJY-UHFFFAOYSA-N 484.405 4.277 50 10 JIGE N#C/C(=C/c1ccc(-c2ccc(C(=O)O)cc2)o1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 35517389 CODZGEODXFFPJF-PTNGSMBKSA-N 461.499 4.230 50 10 JIGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)c(OC)c1 38657030 NPMHMSSJQIAZIB-MQNRADLISA-N 490.487 4.434 50 10 JIGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(F)cc3)nc3ccccn3c2=O)cc1 39858691 CCVUBCPBUIGZPC-SDXDJHTJSA-N 498.470 4.348 50 10 JIGE O=C(NNc1ncnc(NCCC2=CCCCC2)c1[N+](=O)[O-])c1ccc(Br)cc1 40622167 UGENVNACOJRFBY-UHFFFAOYSA-N 461.320 4.207 50 10 JIGE CCCOc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1cccc2ccccc12 48572014 PWTGLSASEGHKAP-ZVHZXABRSA-N 454.324 4.480 50 10 JIGE Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1/C=N/NC(=O)Cc1cccc2ccccc12 59151412 VDYGTYXXIVCSQA-AFUMVMLFSA-N 472.461 4.152 50 10 JIGE O=C(NNC(=O)C1(c2ccc(F)cc2)CC1)c1ccc(CSc2nc3ccccc3[nH]2)cc1 71849086 LRVLGXHMNFITRK-UHFFFAOYSA-N 460.534 4.487 50 10 JIGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C/Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 101234653 NZHOCCXBVGFXKQ-GZTJUZNOSA-N 456.380 4.318 50 10 JIGE O=S1(=O)CC[C@H](C(CBr)(CBr)Cc2ccc(Br)cc2)C1 118875554 FLXNTBDMMIRMKE-LBPRGKRZSA-N 489.067 4.203 50 10 JIGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C(C#N)=C\c2ccc(OC)cc2)c(OC)c1 207130239 YFZSZHURWSPOIJ-GYICUJRQSA-N 459.502 4.040 50 10 JIGE CCn1c(SCC(=O)NN=Cc2cc(OC)c(O)c(OC)c2)nnc1-c1ccc(C(C)(C)C)cc1 254698378 WYQGOLFMIZRJLH-UHFFFAOYSA-N 497.621 4.228 50 10 JIGE COc1cc(C=NNC(=O)c2cc(-c3c(OC)ccc4ccccc34)n[nH]2)cc(OC)c1OC 254843994 FINDALUDNLFCCP-UHFFFAOYSA-N 460.490 4.028 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2CC[C@H](CBr)[C@H]2C)cc1Br 385642167 KAYGDGXQCGEPCW-NXEZZACHSA-N 490.055 4.314 50 10 JIGE CC[C@@H](NS(=O)(=O)c1cc(Br)ccc1Br)[C@H](C)Br 386675698 HEUDEKNOZISCFA-OIBJUYFYSA-N 464.017 4.052 50 10 JIGE COc1ccc([N+](=O)[O-])c([C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)c1 725437860 MMMJMAOVZRHPQC-YJBOKZPZSA-N 496.301 4.391 50 10 JIGE CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1cccc(OC(F)F)c1 728609692 PDSAJYZHEIPLAC-QGZVFWFLSA-N 488.318 4.201 50 10 JIGE COc1ccccc1CCNC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1 818032991 FCRWIGRKBAURDR-HKWRFOASSA-N 459.937 4.392 50 10 JIGE C=CCOc1ccccc1C=NNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2OC)c1 915917408 WZQPZSJSYLLKMH-UHFFFAOYSA-N 499.976 4.478 50 10 JIGE CC(CC(=O)Nc1ccc([N+](=O)[O-])cc1)=NNC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1 1084114622 QAXADMXMGIQETI-QHCPKHFHSA-N 456.502 4.422 50 10 JIGE COc1ccc(O)c(C=NNC(=O)CSc2nnc(CCc3ccccc3)n2-c2ccccc2)c1 1084529064 SWYFIPKQDOFRMY-UHFFFAOYSA-N 487.585 4.009 50 10 JIGE O=C(CCCCOc1ccc(Br)cc1)NNC(=O)c1ccc(Br)cc1 1338729601 OSCKGWHGFBJRHC-UHFFFAOYSA-N 470.161 4.222 50 10 JIGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1 1666490511 SLDNPFXPMXATOC-KRWDZBQOSA-N 458.474 4.173 50 10 JIGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(OC)cc2)ccc1O 1865681744 VNEKRLMKLJNBFZ-GOSISDBHSA-N 472.423 4.222 50 10 JIGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(C)cc2)c1 1865691899 DOJWJFNCVGAAQJ-LJQANCHMSA-N 470.451 4.494 50 10 JIGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(OC)c1)C(C#N)=C(N)O2 1865706026 LZGHELJLHVUMHW-NRFANRHFSA-N 450.926 4.470 50 10 JIGE CCC[C@@H](NC(=O)c1cc(-c2cc(F)ccc2OC)n(C)n1)C(=O)Nc1ccc(SC#N)cc1 1867101271 WVKXINVIOKEPRL-LJQANCHMSA-N 481.553 4.345 50 10 JIGE O=C1c2ccccc2C(=O)N1CCCc1nccn1-c1nc(Cl)c(CBr)s1 1949575346 HFTXAPAVFFWVDY-UHFFFAOYSA-N 465.760 4.106 50 10 JIGE O=S(=O)(C[C@@H](Br)c1scc(Br)c1Br)N1CCCC1 2028945897 LBJCAZUZXOTOSO-MRVPVSSYSA-N 482.057 4.135 50 10 JIGE O=C(N[C@@H]1C[C@H](CBr)[C@@H]2C[C@H]12)c1cc(Br)ccc1Br 2110549100 LOKCHAMTCPROQZ-ZRPKBAQZSA-N 451.984 4.361 50 10 JIGE CC[C@@]1(CBr)COCCN1C(=O)c1csc(Br)c1Br 2112707013 AUINVMXRLUNQMH-GFCCVEGCSA-N 476.028 4.289 50 10 JIGE O=C(c1cc(I)ccc1Br)N1[C@H]2CC[C@@H](C2)[C@H]1CBr 2122171175 CQFFOTITNBHWLN-GMOODISLSA-N 498.984 4.442 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1[C@H]2CC[C@@H](C2)[C@H]1CCl 2122173715 OXYNDPOLPYIBDH-GMOODISLSA-N 454.533 4.286 50 10 JIGE O=C(c1cc(I)ccc1Br)N1[C@H](CCl)[C@H]2CC[C@@H]1C2 2122175171 DUPODUUNDJUBBT-IYYTYJHQSA-N 454.533 4.286 50 10 JIGE CC1(C)[C@H](CBr)OCCN1C(=O)c1cc(Br)ccc1Br 2159639037 IHAGDQWYWZFHHA-LBPRGKRZSA-N 469.999 4.226 50 10 JIGE C[C@@H]1[C@@H](C(F)(F)F)N(C(=O)[C@@H](Br)C2CCCC2)CCN1C(=O)OC(C)(C)C 2172604134 LYSQSJFZCROSCV-XBFCOCLRSA-N 457.331 4.339 50 10 JIGE O=S1(=O)C[C@H]2C([C@H](Br)c3c(Br)cc(F)c(Cl)c3F)[C@@H]2C1 2201620515 BUIZVOBYRQVPGO-INWPNSDISA-N 450.526 4.107 50 10 JIGE Cc1csc(CBr)c1S(=O)(=O)N1[C@H]2CCC[C@@H]1CN(Cc1ccccc1)C2 2234687146 UZWKNQAPIKRXAP-HDICACEKSA-N 469.470 4.379 50 10 JIGE N#CC(=CNc1ccc(Cl)cn1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324610081 KECZNNLKONYTJH-UHFFFAOYSA-N 457.965 4.488 50 10 JIGE O=C(N[C@H]1C[C@H](CBr)[C@H]2C[C@@H]12)c1cc(Br)ccc1I 2329877964 LEUOQXAPKXVTBC-HMMKDHSLSA-N 498.984 4.203 50 10 JIGE COCCCN1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4cccc([N+](=O)[O-])c4)cs3)cc2C1=O 2331232363 JYIDYVZCPNMFGS-UHFFFAOYSA-N 490.497 4.301 50 10 JIGE C[C@H]1C[C@@H](CBr)CN(C(=O)c2ccc(Cl)cc2I)C1 2340056149 CXUBVJSLUCZLOS-UWVGGRQHSA-N 456.549 4.438 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@]12CC[S@@](=O)(=NC[C@]1(CBr)CC1(F)F)C2 2351886050 SSSVHRNTKQFSTR-FBJHADKPSA-N 457.381 4.048 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@]12CC[S@](=O)(=NC[C@@]1(CBr)CC1(F)F)C2 2351886052 SSSVHRNTKQFSTR-SBKBGZGTSA-N 457.381 4.048 50 10 JIGE COCCN(C)C[C@H](Br)CCc1cc(I)ccc1Cl 2352416098 QLTAQTAVINIHBO-GFCCVEGCSA-N 460.581 4.219 50 10 JIGE CC1(C)C[C@H](Br)CCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2364202946 YQWRXMIVIMBEEL-QGZVFWFLSA-N 499.471 4.058 50 10 JIGE COc1ccc(/C=N/NC(=O)COc2cc(C)c(Br)cc2C(C)C)c(C(=O)O)c1OC 20344575 PINXJULCVDXLFK-YSURURNPSA-N 493.354 4.125 50 10 JIGE COC(=O)c1ccccc1NC(=O)COc1ccc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc1 33549594 SUSKXGATCVQDSR-JXAWBTAJSA-N 452.470 4.431 50 10 JIGE COC(=O)c1ccc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2F)CCC3)cc1 40812364 VFGFFJYKNBAIQA-ZXVVBBHZSA-N 464.449 4.203 50 10 JIGE Cc1c(C(=O)NC2CCCC2)oc2c1/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 40813395 SPHFDMVQBDRYOF-PCLIKHOPSA-N 458.902 4.292 50 10 JIGE COc1cccc(/C=N/NC(=O)CSc2nnc(CCc3ccccc3)n2-c2ccccc2)c1 58987892 IMWGNDYQTLQMTC-OVVQPSECSA-N 471.586 4.304 50 10 JIGE CC(=NNC(=O)[C@@]1(C)CC1(Br)Br)c1cccc(NC(=O)C(C)(C)C)c1 252607793 HEFRDYRJHXMBFJ-QGZVFWFLSA-N 473.209 4.408 50 10 JIGE O=C(c1cccc(F)c1I)N(CCBr)Cc1ccccc1 721670905 ABTMZIUCKUNIQP-UHFFFAOYSA-N 462.100 4.468 50 10 JIGE COc1ccc(OCCNC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)cc1 818072552 AHCVMCMNYZJPBY-CYVLTUHYSA-N 475.936 4.228 50 10 JIGE Cc1cccc(C)c1-n1c(C)cc(C=NNC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)c1C 1084104268 APHFWWHAGMJOIX-UHFFFAOYSA-N 487.025 4.281 50 10 JIGE C#CCN1CCC[C@@H](NC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)C1 1471832868 KWFGMAVLESOKFS-WVWKGNOCSA-N 454.496 4.234 50 10 JIGE COc1ccc(/C(C#N)=C/c2ccc(OC(=O)CCN3C(=O)c4ccccc4C3=O)cc2)cc1OC 1615099372 PDOCDQJZJMKJHF-HMMYKYKNSA-N 482.492 4.360 50 10 JIGE C#CCN(CC(=O)OC(C)(C)C)C(=O)/C(C#N)=C/c1cc(C)n(-c2cccc(Cl)c2)c1C 1632228759 RZHXWZBZDSIUQY-DEDYPNTBSA-N 451.954 4.458 50 10 JIGE Cc1sc2ncn(CC(=O)N/N=C/c3ccc(F)c(Br)c3)c(=O)c2c1-c1ccccc1 1860772634 CLKRVPIGZFEJDH-NSKAYECMSA-N 499.365 4.485 50 10 JIGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2c(F)cccc2Cl)c1 1865691850 CLRLAFFSYIFVMC-NRFANRHFSA-N 454.889 4.268 50 10 JIGE COc1ccc(/C=C(\C#N)C(=O)NC[C@@H](c2c(F)cccc2Cl)N2CCCC2)cc1OC 1866130099 ADTPJCKDSOYEGT-KZFLWGQDSA-N 457.933 4.357 50 10 JIGE CSCC[C@@H](NC(=O)c1cc(C)n(-c2ccccc2F)n1)C(=O)Nc1ccc(SC#N)cc1 1867172017 IKIRJCVWBVFGNL-LJQANCHMSA-N 483.594 4.383 50 10 JIGE CC1(C)CN(S(=O)(=O)c2cc(CBr)cs2)CCCN1Cc1ccccc1 1879332468 ZYNOFBQFFIDVPL-UHFFFAOYSA-N 457.459 4.318 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCNC1[C@H]2CC[C@H]1CN(Cc1ccccc1)C2 1985346450 CLFYTRTWHLOTQK-PMACEKPBSA-N 451.702 4.393 50 10 JIGE BrC[C@@H]1C[C@@H]2OCC[C@H]2N1Cc1c(Br)cccc1Br 2094089810 AIIINGYCOYPZNP-FZZIBODNSA-N 454.000 4.338 50 10 JIGE O=C(N[C@@H]1C[C@H]2CC[C@H]1[C@@H](Br)C2)c1ccc(F)cc1I 2204563115 LYTPCNRHCQSFKD-VWBVRBGYSA-N 452.105 4.112 50 10 JIGE O=C1c2ccccc2C(=O)N1C[C@@H](Br)Cc1cc(F)cc(Br)c1F 2242109313 ACCBZIGOUSUTPF-JTQLQIEISA-N 459.084 4.330 50 10 JIGE O=C(Cc1ccccc1I)N[C@@H](CCCl)COCc1ccccc1 2303701239 XKXRERLIWBNQFV-KRWDZBQOSA-N 457.739 4.164 50 10 JIGE O=C(N[C@H]1C[C@@H](CBr)[C@H]2C[C@@H]12)c1cc(Br)c(Br)s1 2309225193 BOHHFUZBMIEUGW-SZACMFPPSA-N 458.013 4.422 50 10 JIGE CCOc1cc(C=C2C(=O)N(CCCOC)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 2314617938 DJHNVCVIUBMOEJ-UHFFFAOYSA-N 478.520 4.432 50 10 JIGE ClC[C@@H]1C[C@H]2OCCN(Cc3ccc(I)c(Br)c3)[C@@H]2C1 2377357340 MWZLFGHRVMUAQE-NILFDRSVSA-N 470.576 4.272 50 10 JIGE O=C(COc1ccc2cc(Br)ccc2c1Br)N/N=C/c1ccc[nH]1 12491483 JKBPUGSILUBPHU-ZVBGSRNCSA-N 451.118 4.222 50 10 JIGE COc1ccc(/C=N\NC(=O)CCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(OC)c1 27497947 GIJZCCPJMMBTIW-GATIEOLUSA-N 457.836 4.245 50 10 JIGE Cc1cccc(C)c1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc([N+](=O)[O-])cc1 38654730 VACJUUMWNRMXDA-DEOSSOPVSA-N 471.469 4.414 50 10 JIGE C[C@H](Sc1nnc(-c2ccccc2Cl)n1-c1ccccc1)C(=O)NNC(=O)C1CCC1 59844960 JDNCUWHRBGHJKO-AWEZNQCLSA-N 455.971 4.016 50 10 JIGE O=C(N/N=C1/C(=O)N(Cc2ccccc2)c2ccc(Br)cc21)c1cccc([N+](=O)[O-])c1 100480737 APNNCYFFBYOLGG-HIXSDJFHSA-N 479.290 4.038 50 10 JIGE C[C@@H](NC(=O)COc1ccc(C=NNC(=O)C(=O)Nc2cccc3ccccc23)cc1)c1ccccc1 254290792 QFRGYXVPCLOQHK-HXUWFJFHSA-N 494.551 4.185 50 10 JIGE CCCCOc1ccc(C(=O)NCC(=O)NN=Cc2ccc(OC(=O)c3ccc(C)cc3)cc2)cc1 254294089 SODAIQDMDDVZTC-UHFFFAOYSA-N 487.556 4.273 50 10 JIGE COc1cc(C=NNC(=O)c2c[nH]c3ccccc23)ccc1OCC(=O)N1[C@@H](C)CCC[C@H]1C 254385071 FIXNPDWSYVPZRX-HDICACEKSA-N 462.550 4.109 50 10 JIGE O=C(OCc1ccccc1)N1C[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H](CI)C1 382698395 YTOVLPRRPCDSCY-FUHWJXTLSA-N 466.275 4.382 50 10 JIGE O=C(c1ccc(Br)cc1Br)N1CCSC[C@H]1CBr 387892114 PQXDCOQWIKRUEZ-SECBINFHSA-N 458.013 4.164 50 10 JIGE C[C@@H](CBr)CN(C)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 689011560 UBFSEIKJJJRIAI-ZETCQYMHSA-N 454.011 4.407 50 10 JIGE N#CCCn1cc(/C=C(\C#N)C(=O)NCc2noc(-c3cccs3)n2)c(-c2ccc(Cl)cc2)n1 745060686 AWTPVQVOFDVSPJ-LFIBNONCSA-N 489.948 4.452 50 10 JIGE N#CCCn1cc(/C=C(\C#N)C(=O)OCc2nccn2C(F)F)c(-c2ccc(Cl)cc2)n1 913972920 DWRURLOCIWWSDI-XNTDXEJSSA-N 456.840 4.359 50 10 JIGE Cc1ccc(C(=O)Nc2ccccc2C(=O)NN=Cc2cc(Br)ccc2O)cc1 1083973917 KVFSQFORLSZRPW-UHFFFAOYSA-N 452.308 4.479 50 10 JIGE COc1cc(C=NNC(=O)c2cnccn2)cc(Br)c1OCc1ccccc1Cl 1084539490 UOUGJBPOIVOXEM-UHFFFAOYSA-N 475.730 4.244 50 10 JIGE CCOc1cc(C=NNC(=O)CCc2ccccc2)ccc1OC(=O)c1ccc(OC)c(OC)c1 1772720190 HPBTYCOKCSENBV-UHFFFAOYSA-N 476.529 4.405 50 10 JIGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(F)cc2)cc(Br)c1O 1865689850 XQEJJZNTMSTNLC-IBGZPJMESA-N 485.313 4.074 50 10 JIGE CC(C)(C)OC(=O)N[C@H](CBr)[C@@H]1CN(Cc2ccccc2)[C@]2(CCCOC2)C1 1885095954 FQUAHQCYMWUUKT-NNMXDRDESA-N 453.421 4.346 50 10 JIGE O=C(O)C=Cc1cc(Br)cc(Br)c1OC[C@@H]1C[C@@H]1Br 1887908246 OWCJTQIGXZTXEF-WPRPVWTQSA-N 454.940 4.472 50 10 JIGE C[C@@]1(CCOCc2ccccc2)CCN1S(=O)(=O)c1ccc(CCBr)s1 1892700415 LDDFJYPBWSDUGJ-IBGZPJMESA-N 458.443 4.446 50 10 JIGE O=C1c2ccccc2C(=O)N1C[C@H](Br)Cc1cc(F)c(Br)c(F)c1 1906738511 CRVZILYJDXPCFS-SNVBAGLBSA-N 459.084 4.330 50 10 JIGE CC(C)(CCBr)NC(=O)c1ccc(Br)cc1I 2026216354 FLCWJBSHXJHECD-UHFFFAOYSA-N 474.962 4.347 50 10 JIGE O=C(c1cc(Br)ccc1Br)N1C[C@H]2[C@H](Br)CC[C@H]2C1 2087938591 YCHRKHFRDJMGRW-RLCGTCKNSA-N 451.984 4.457 50 10 JIGE Cn1nnc(Br)c1C[C@@H](CBr)Cc1ccccc1Br 2089735036 RCXUOHBAEHGYGK-VIFPVBQESA-N 451.988 4.136 50 10 JIGE O=C(c1c(Br)cccc1Br)N1C[C@@H]2C[C@H](CBr)[C@@H]2C1 2117689956 PRXBARRQIUZWAM-UTLUCORTSA-N 451.984 4.315 50 10 JIGE O=S(=O)(c1cc(CBr)oc1Br)N1CCC(Cl)=C(Cl)C1 2123201178 SUGKWFIORITMCJ-UHFFFAOYSA-N 453.967 4.021 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@H]2C[C@H]1CC[C@H]2Cl 2142279680 SUXQNENGHBTDBE-HLUHBDAQSA-N 454.533 4.286 50 10 JIGE CN(Cc1ccc(Br)s1)S(=O)(=O)c1cc(CCl)oc1Br 2156994609 IGVQCLRWPXQWCJ-UHFFFAOYSA-N 463.600 4.426 50 10 JIGE FC(F)(F)c1cnc(N2[C@H]3CC[C@H]2[C@@H](CBr)C3)c(I)c1 2157219812 JPHXYBVQLVQHJV-HDBBIHSSSA-N 461.063 4.457 50 10 JIGE CN(C[C@@H](Br)C1CCCC1)C(=O)Cc1ccccc1I 2167650655 JRLFYWHCMRFMKP-CQSZACIVSA-N 450.158 4.246 50 10 JIGE CC(C)(C)OC(=O)N1CC[C@@](CNC(=O)[C@@H](Br)C2CCCC2)(C(F)(F)F)C1 2167681915 YUAHUCDCMNOZLJ-GUYCJALGSA-N 457.331 4.246 50 10 JIGE Cc1cc(CBr)ccc1S(=O)(=O)N1CCN(Cc2ccccc2)CC1(C)C 2179785878 RVPVXXPHSPNEQQ-UHFFFAOYSA-N 451.430 4.175 50 10 JIGE Cc1oc(CBr)cc1S(=O)(=O)N1CCCC[C@@H](N(C)Cc2ccccc2)C1 2179820175 VCNNAVGTKPOHPL-GOSISDBHSA-N 455.418 4.158 50 10 JIGE FC(F)(F)c1cnc(N2CC[C@H](Br)[C@H]2C2CC2)c(I)c1 2187173236 PTOYZOLJRJZIEZ-GXSJLCMTSA-N 461.063 4.457 50 10 JIGE BrC[C@@]12COC[C@@H]1CN(Cc1c(Br)cccc1Br)C2 2226186262 PFNZYBRSVTZZIZ-IINYFYTJSA-N 454.000 4.055 50 10 JIGE Cn1ncc([C@H](Cl)c2ccc3c(c2Br)CCO3)c1I 2229738826 JMHVOYAKIVXIPN-GFCCVEGCSA-N 453.505 4.050 50 10 JIGE C[C@@H]1C[C@H](Br)[C@@H](C)N(S(=O)(=O)c2cc(Br)ccc2Br)C1 2235876223 LZHUNTDFCHAWEG-LNLATYFQSA-N 490.055 4.394 50 10 JIGE CCCOc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cccc([N+](=O)[O-])c2)cc1 2296645052 RYJOIXKISMFVKS-UHFFFAOYSA-N 472.501 4.305 50 10 JIGE O=C(c1cc(Br)c(Br)s1)N1C[C@H]2C[C@H](CBr)[C@H]2C1 2309713107 PASNIFJXHPRTAM-BWZBUEFSSA-N 458.013 4.376 50 10 JIGE CCOc1cc(C=C(C#N)C(=O)N(C)C)cc(I)c1OCc1ccccc1 2313568814 XMATUUXZNNAWOR-UHFFFAOYSA-N 476.314 4.264 50 10 JIGE CCCOc1ccc(C=C(C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1 2314736211 AIHQZHDJIYJVBJ-UHFFFAOYSA-N 468.560 4.278 50 10 JIGE Cn1cnc(Br)c1[C@H](Br)c1cc2c(cc1Br)OCC2 2337330791 TVKFSLBFUVKDHN-LLVKDONJSA-N 450.956 4.364 50 10 JIGE O=C(c1csc(Br)c1Br)N1CC2(CCOCC2)[C@H]1CBr 2381035199 VPFVRMKMMXRPRO-SECBINFHSA-N 488.039 4.289 50 10 JIGE Cn1cc(C(=O)NNC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)c2ccccc21 10736499 HIAOTBPNVZFSHP-UHFFFAOYSA-N 455.543 4.226 50 10 JIGE COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(OC(C)C)c(OC)c2)N1C(=O)CCl 11767168 TUQLEIQRUICVPW-CYFREDJKSA-N 470.953 4.218 50 10 JIGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(Br)c1 12403523 QOMLVWOTIAPHDV-UHFFFAOYSA-N 484.734 4.148 50 10 JIGE O=C(COc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)c1ccc(-c2ccccc2)cc1 12500686 HUVKZLQGITXYPX-UHFFFAOYSA-N 474.369 4.375 50 10 JIGE CCOc1cc(/C=C\C(=O)NNC(=O)c2ccc3c(c2)nc(C)n3CC)ccc1OCC(C)C 33636005 BIIYFTSRSNKGTN-LCYFTJDESA-N 464.566 4.273 50 10 JIGE Cc1cc(C(=O)CO/C(=C(/C#N)c2nnc3n2CCCCC3)C(F)(F)F)c(C)n1C[C@H]1CCCO1 33774566 VKXAGZBBGRBZBS-LLWUOSFCSA-N 491.514 4.298 50 10 JIGE CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)cc1 38700682 YHDKGSIWOHWWHW-ZEQRLZLVSA-N 472.522 4.372 50 10 JIGE CC(=O)Nc1ccc(Nc2ncnc(NNC(=O)C(c3ccccc3)c3ccccc3)c2[N+](=O)[O-])cc1 40659364 TXJAPOKNSIEHEV-UHFFFAOYSA-N 497.515 4.362 50 10 JIGE Cc1cccc(C)c1NC(=O)CSc1ccc(/C=N/NC(=O)CCc2ccccc2O)o1 59506438 VKZDHMHGOLQWQN-AFUMVMLFSA-N 451.548 4.416 50 10 JIGE Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 83319536 AVPHHJSVDXXZEG-NBVRZTHBSA-N 463.471 4.217 50 10 JIGE CCOc1ccc(/C=N\NC(=O)c2cccn(Cc3ccccc3Cl)c2=O)cc1OCC 169920769 DDTHHOZNQLSJLT-YSMPRRRNSA-N 453.926 4.111 50 10 JIGE COc1ccc(CCC(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2OC)cc1 207163492 JYTUWINHZPRRRE-ZHZULCJRSA-N 460.486 4.058 50 10 JIGE ClCc1cc(-n2cnc(I)c2I)c2ccccc2n1 306036273 MGCCIVAKBKHTKK-UHFFFAOYSA-N 495.489 4.369 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2CC[C@@H](Br)C[C@@H]2C)cc1Br 705595233 CZZWDWCXHMJUGO-VHSXEESVSA-N 490.055 4.457 50 10 JIGE CC(=NNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 725406892 PNTTZWFVTOCADX-UHFFFAOYSA-N 455.967 4.384 50 10 JIGE Cc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)NNc1ccc(F)c(F)c1F 728716881 HIYGQRHIRMCTAF-UHFFFAOYSA-N 453.417 4.109 50 10 JIGE COc1ccccc1[C@H](C)NC(=O)[C@H](C)OC(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C 855281895 DWOJGEQLGOMYEM-NAQIXGNNSA-N 451.567 4.486 50 10 JIGE COc1ccc(C=NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1[N+](=O)[O-] 1772756517 JPSYGLKEIYRXGA-UHFFFAOYSA-N 464.316 4.193 50 10 JIGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2c(F)cccc2Cl)c1OC 1865701206 OYQSBXLRJCBSOS-FQEVSTJZSA-N 454.889 4.268 50 10 JIGE CCN(CC)C(=O)COc1ccc(/C=N\NC(=O)c2ccc(-c3ccc(F)cc3)nc2C)cc1 1865760490 ACZJKPONNWHVOK-NTFVMDSBSA-N 462.525 4.207 50 10 JIGE O=C(NC1CC([C@@H](F)CCl)C1)c1cc(Br)ccc1I 1906548617 JUDLMCJOPPJGPK-FBUXNDKQSA-N 460.512 4.139 50 10 JIGE O=C(c1cc(Br)sc1Br)N1C[C@H](Br)C[C@@]2(CCCO2)C1 1924251578 MZKIDUMFVUAKDM-OQPBUACISA-N 488.039 4.432 50 10 JIGE CN(CC1CC(Br)C1)c1ncc(I)cc1Br 1988539626 LQWKKXAKNYAXGK-UHFFFAOYSA-N 459.951 4.058 50 10 JIGE CCOc1cc(I)c(CBr)cc1I 2060219669 DEKWGVBCCQVVEC-UHFFFAOYSA-N 466.882 4.189 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1ccc(Br)c(F)c1 2061268644 XHMNERIUHCHCMK-UHFFFAOYSA-N 453.399 4.224 50 10 JIGE O=C(c1cc(Br)cc(Br)c1)N1C[C@H]2[C@H](Br)CC[C@H]2C1 2087936598 KCMRUMHPMRXIEX-ZEGGKSINSA-N 451.984 4.457 50 10 JIGE O=C(N[C@@H]1CC[C@H]2C[C@@]21CCl)c1ccc(I)c(Br)c1 2132109956 AXLIBNBVTZNTDC-MRCXROJRSA-N 454.533 4.191 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N[C@](C)(CBr)C2CC2)cc1Br 2146581398 CVGFABDPUJZCTL-CYBMUJFWSA-N 490.055 4.362 50 10 JIGE O=S(=O)(c1ccc(CBr)s1)N1CC[C@@]2(CCCN(Cc3ccccc3)C2)C1 2179812987 UCAODPNWONKFGR-HXUWFJFHSA-N 469.470 4.320 50 10 JIGE CC(C)[S@](=O)(=NCC1(CBr)CCOCC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2183217304 WXMSGBVHBKKNGE-CHAGWJKLSA-N 467.470 4.064 50 10 JIGE COCC(CCO[C@H](CI)c1ccc(Br)cc1)COC 2187430908 RHKJJKULVWNWHV-OAHLLOKOSA-N 457.146 4.241 50 10 JIGE CN(C[C@H]1C[C@H](Br)C1)C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@]1(C)C(F)(F)F 2196914184 KVYYTASAOHQLQH-MRHIQRDNSA-N 457.331 4.054 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@@H](F)C[C@@H](Br)C1 2219185309 VWIMQRHFWQXSJL-SFYZADRCSA-N 490.936 4.001 50 10 JIGE C[C@@H]1[C@@H](C(F)(F)F)N(CCCCI)CCN1C(=O)OC(C)(C)C 2243586266 NORIIGQPMYBWCI-NEPJUHHUSA-N 450.283 4.074 50 10 JIGE COc1cc(OC)c([C@@H](Cl)c2cnn(C)c2I)cc1Br 2295417977 AUXBUGWDUQJZCA-GFCCVEGCSA-N 471.520 4.133 50 10 JIGE CC(C)(CI)CN=[S@]1(=O)CC[C@@]2(CCCN2C(=O)OC(C)(C)C)C1 2306815976 OCPAGFZGANSXKO-XDHUDOTRSA-N 470.417 4.089 50 10 JIGE COC(=O)c1ccccc1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1=O 2331281220 VDIDDIIOEYXCOD-OAHLLOKOSA-N 490.497 4.351 50 10 JIGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(-c3ccccc3)cc2)cc1 14030196 IDACVLHZOUQMST-UHFFFAOYSA-N 477.586 4.247 50 10 JIGE O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 59506423 GKDUUIXNIHQAHQ-CNHKJKLMSA-N 451.873 4.009 50 10 JIGE COc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2)c(OC)c1 206693660 AEECEUBQCCIGJE-GJGBNZORSA-N 458.470 4.139 50 10 JIGE Brc1ccc(I)cc1[C@H](Br)Cc1ncc[nH]1 232479622 OQAQDDRISDTENP-SNVBAGLBSA-N 455.919 4.456 50 10 JIGE COc1ccc(C=NNC(=O)CCn2cc(Cl)cn2)cc1COc1ccccc1Br 254486193 QJGVHVIGTIISOA-UHFFFAOYSA-N 491.773 4.427 50 10 JIGE Nc1nnc(SCC(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)s1 256028336 GCNWSGLXRVCLPD-UHFFFAOYSA-N 468.391 4.249 50 10 JIGE Cc1ccc(NC(=O)c2ccccc2NC(=C=O)C(=O)N/N=C/c2ccccc2Br)cc1 514269765 AKJUUOPHLOSXCX-VULFUBBASA-N 491.345 4.288 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1CCS[C@@H](CCBr)C1 720042835 UPJVBXALBOXGGS-JTQLQIEISA-N 474.589 4.287 50 10 JIGE O=C(NC[C@@H]1CCC[C@H](CBr)C1)c1cccc(F)c1I 721672651 OJWDKSRODOBMRM-WDEREUQCSA-N 454.121 4.361 50 10 JIGE COc1ccc(NC(=O)COc2ccc(C=NNC(=O)c3cc4ccccc4cc3O)cc2)cc1 1084442071 XJYQMUNSKNZEIA-UHFFFAOYSA-N 469.497 4.335 50 10 JIGE C#Cc1cccc(NC(=S)NNC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(C)cc3)c2C)c1 1176937686 SBUZOZGSQDXSOH-PXLXIMEGSA-N 453.571 4.309 50 10 JIGE CC(=O)N1C[C@@H](CI)[C@@H](c2cc(Br)cc(Br)c2)C1 1614628854 XVDVJXBLSAJBMB-ZWNOBZJWSA-N 486.973 4.209 50 10 JIGE COc1cc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc(Cl)cc3)cc2)cc(OC)c1OC 1772719978 AWLFJBITZDAWMH-UHFFFAOYSA-N 498.919 4.114 50 10 JIGE CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)C(=O)Nc3ccc(SC#N)cc3)c2C(N)=O)C1 1860749725 NZGJTGLMQPIUMH-GFCCVEGCSA-N 456.593 4.148 50 10 JIGE C[C@@H](C(=O)NNC(=O)/C=C/c1ccc(Cl)cc1Cl)n1cnc2sc3c(c2c1=O)CCCC3 1860771886 KUQBKKKCQDTZLF-CRALRDPISA-N 491.400 4.065 50 10 JIGE C[C@@H](C(=O)N/N=C/c1ccc(C(F)(F)F)cc1)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1860773750 DDOMPHDTEJGGMG-QZZUXPRCSA-N 462.497 4.313 50 10 JIGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2c(F)cccc2Cl)c(OC)c1 1865708139 PDCKVFJQLJARTM-OAQYLSRUSA-N 454.889 4.268 50 10 JIGE COc1ccccc1OCC(=O)NNC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)nc1C 1865758919 AOISLAMTAMTQOV-UHFFFAOYSA-N 460.317 4.212 50 10 JIGE CN(C)[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1ccccc1 1866698966 UCBXPRRKHCDVBM-ZEQRLZLVSA-N 458.587 4.229 50 10 JIGE Cn1nc(C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)cc1-c1ccco1 1867252661 IFOUTQYKJRUFIH-HXUWFJFHSA-N 471.542 4.233 50 10 JIGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n2)cc1C 1872757943 DIBKNDZKNMVVRQ-ZZEZOPTASA-N 490.497 4.433 50 10 JIGE COc1cc(Br)c(C[C@H](CBr)NC(=O)OC(C)(C)C)cc1OC 1984039155 GQLVKMFBFJZNGJ-LLVKDONJSA-N 453.171 4.297 50 10 JIGE CC(C)(C)OC(=O)NC[C@@H]1CC[S@](=O)(=NC[C@@H](Br)C(F)(F)F)C1(C)C 2044706752 WTWYHJJUZSIOPG-BTZQTZEISA-N 451.349 4.103 50 10 JIGE CCOC(=O)Cc1cc(Br)c(I)c(CBr)c1 2054978772 PYGGGUMSFUOSGF-UHFFFAOYSA-N 461.919 4.054 50 10 JIGE Cc1cc(O)ccc1Cn1nc(CBr)c(I)c1C(F)(F)F 2079242958 JEPDQQYTRWYIRZ-UHFFFAOYSA-N 475.046 4.464 50 10 JIGE CC1(C)[C@H](Br)CCN1C(=O)c1ccc(Br)cc1I 2086147125 JRHMZKOEEHRIRX-LLVKDONJSA-N 486.973 4.442 50 10 JIGE CC1(C)[C@@H](CBr)CCN1S(=O)(=O)c1cc(Br)ccc1Br 2151554249 XZSCGSIFEZDQLT-SECBINFHSA-N 490.055 4.396 50 10 JIGE C[C@H]1CN(S(=O)(=O)c2ccc(CCl)cc2Br)[C@H](C)CN1Cc1ccccc1 2152185171 TZMWXPVJVCJDAH-JKSUJKDBSA-N 471.848 4.471 50 10 JIGE C[C@@]1(C(F)F)CCN(S(=O)(=O)c2cc(CBr)sc2Br)C1 2179791579 STKIYGVSRYYNNR-LLVKDONJSA-N 453.168 4.071 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2CCC[C@@H]2[C@H](C)Br)cc1Br 2193587105 RSDPCCOJMSAZEZ-JOYOIKCWSA-N 490.055 4.457 50 10 JIGE O=C(NC[C@@H](Br)CC(F)(F)F)c1ccc(Cl)c(I)c1 2268359372 RGUCNKXLFURFJW-ZETCQYMHSA-N 470.454 4.390 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@H]2C[C@H](Br)C[C@H]2C1 2295313839 POSFLGPJGFNZEY-YABSGUDNSA-N 466.011 4.386 50 10 JIGE Brc1cc(CN2C[C@@H]3C[C@@H](Br)[C@H]2C3)ccc1I 2306229555 WYLGGRSKIHUKPS-IRUJWGPZSA-N 470.974 4.411 50 10 JIGE CCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2cc(C)c(Cl)c(C)c2)c(OC)c1 2314737465 NDRCRSGPRZVPNQ-UHFFFAOYSA-N 456.926 4.383 50 10 JIGE COc1ccccc1C=C(C#N)C(=O)Oc1ccc2cc(C(=O)NCc3ccccc3)c(=O)oc2c1 2314748437 LQNGDRPCFKZQQW-UHFFFAOYSA-N 480.476 4.244 50 10 JIGE COc1ccc(C=C(C#N)C(=O)NCc2ccc3n2CCN(C(=O)OC(C)(C)C)[C@@H]3C)cc1OC 2329700919 SWBPSYRZQGDXQE-QGZVFWFLSA-N 480.565 4.040 50 10 JIGE COC(=O)c1ccccc1N1C[C@@H](C(O)=C(C#N)c2nc(-c3cccc(OC)c3)cs2)CC1=O 2331246754 SSOFMBYEIWXVKN-INIZCTEOSA-N 475.526 4.451 50 10 JIGE CCC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](C)[C@@]2(O)C(=O)CCl)[C@@H]2C[C@H](F)C3=CC(=O)C=C[C@]3(C)[C@@]12F 2333220570 GFVRBARAKYZKQQ-XAYGUHTBSA-N 484.967 4.051 50 10 JIGE C[C@@H]1[C@@H](C(F)(F)F)N(C[C@@]2(CBr)CC2(F)F)CCN1C(=O)OC(C)(C)C 2351892830 UUVXYSPFJJEWMG-SUNKGSAMSA-N 451.274 4.279 50 10 JIGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCC[C@@H](CCBr)CC1 2364194983 LOJNCBPHEKSKJO-SFHVURJKSA-N 499.471 4.060 50 10 JIGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)c1 38684548 QSMSHBDLBRNXGG-AREMUKBSSA-N 499.479 4.362 50 10 JIGE O=C(NNc1ncnc(Nc2ccc(Br)cn2)c1[N+](=O)[O-])c1ccc(Cl)cc1Cl 40647333 MAZYNPVHQSOQFZ-UHFFFAOYSA-N 499.112 4.350 50 10 JIGE Nc1c(NNC(=O)c2ccccc2Br)ncnc1Nc1ccccc1C(F)(F)F 40701825 WXJDWEQTCIPMOQ-UHFFFAOYSA-N 467.249 4.341 50 10 JIGE COC(=O)c1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2OC)CCC3)cc1 40813212 SICGOLDOPRUGLU-TURZUDJPSA-N 475.501 4.106 50 10 JIGE CCOc1ccc(N(C(=O)/C(C#N)=C\c2ccc(OC)cc2)S(=O)(=O)c2ccccc2)cc1 207128863 ZOMJKCZUQRUFEW-JZJYNLBNSA-N 462.527 4.423 50 10 JIGE CCN(CC)c1ccc(/C=C2\C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1 214374173 MOIOZILXWTUYHP-KQWNVCNZSA-N 473.573 4.385 50 10 JIGE C[C@H](NC(=O)c1cc(Br)ccc1I)[C@@H](C)CBr 235063933 QZVKECWWSQHVML-YUMQZZPRSA-N 474.962 4.203 50 10 JIGE C[C@H]1CCN(C(=O)c2cc(Br)ccc2I)C[C@H]1Br 235615887 HYVVUEZTDJKGLS-GZMMTYOYSA-N 486.973 4.299 50 10 JIGE COc1ccc(C=NNC(=O)c2c(-c3ccccc3)noc2C)cc1I 252593038 BIGAKYXJHDQPKK-UHFFFAOYSA-N 461.259 4.027 50 10 JIGE COc1ccc(C(=O)Oc2ccccc2C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)cc1 252627880 SDHLHDLVNYHPEY-UHFFFAOYSA-N 480.520 4.301 50 10 JIGE COc1ccc(OC)c(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2c(F)cccc2Cl)c1 254507152 ASJPIMZBVIWJCI-XSCLHJTDSA-N 481.911 4.418 50 10 JIGE COc1cc(F)c(Br)cc1[C@H](Cl)c1cnn(C)c1I 381866499 FHCWNYUDBDMRKQ-NSHDSACASA-N 459.484 4.263 50 10 JIGE C[C@H]1CN(C(=O)c2cc(I)ccc2Br)C[C@@]1(C)CCl 694698856 CKWOSEBQXFDEFQ-LKFCYVNXSA-N 456.549 4.391 50 10 JIGE O=C(NC1(CCBr)CCSCC1)c1ccc(F)cc1I 719665325 KBXXBUAJBLEKTA-UHFFFAOYSA-N 472.161 4.211 50 10 JIGE C[C@H]1C[C@@H](Br)CN1C(=O)c1ccc(I)c(Br)c1 721576352 FRIGOEMCFMBXCY-IONNQARKSA-N 472.946 4.052 50 10 JIGE O=C(Nc1cc(F)ccc1C(=O)NNC(=O)c1ccc(Br)cc1Cl)c1ccoc1 728870239 XVKXAQUREPKUOW-UHFFFAOYSA-N 480.677 4.162 50 10 JIGE Cc1cc(C(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)c(C)n1CC(F)(F)F 792956229 LXMZYNCNBFPBCI-UHFFFAOYSA-N 463.431 4.460 50 10 JIGE Cn1ccnc1COc1ccc(NC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)cc1 918610286 FDBYARLYWMKILV-PGMHBOJBSA-N 477.528 4.322 50 10 JIGE O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)NN=Cc1cccc(Br)c1 1084082534 HNXFWBYVENAVPC-UHFFFAOYSA-N 451.327 4.209 50 10 JIGE Cc1cc(Cl)ccc1NC(=O)C(=O)NN=Cc1ccc(OCC(=O)Nc2ccccc2Cl)cc1 1084297393 YLTYSPOQYUDDGQ-UHFFFAOYSA-N 499.354 4.408 50 10 JIGE O=C(COc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1F)OCCCc1ccccc1 1858689209 AHVSFKAQVLKVDH-UHFFFAOYSA-N 469.425 4.295 50 10 JIGE Cc1cc(C)n(-c2ccccc2)c(=O)c1C(=O)NC(C)(C)C(=O)Nc1ccc(SC#N)cc1 1867217686 VARBSJPRMUCNQB-UHFFFAOYSA-N 460.559 4.175 50 10 JIGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N(Cc1ccccc1)[C@H](CCl)C1CC1 1915153779 WGGYWMBUSSBGDP-HSZRJFAPSA-N 489.037 4.302 50 10 JIGE O=C(c1cc(Br)sc1Br)N1C[C@H](Br)C[C@]2(CCCO2)C1 1924251576 MZKIDUMFVUAKDM-AMIZOPFISA-N 488.039 4.432 50 10 JIGE BrCCc1cn(-c2cc(Br)c(Br)c(Br)c2)nn1 1946435724 ZUIJNCFVYDZTSN-UHFFFAOYSA-N 488.803 4.492 50 10 JIGE C[C@@H](Cn1cnc(I)c1I)c1nc(CCl)cs1 2001527669 FAWLBWQFUDPFBK-LURJTMIESA-N 493.539 4.091 50 10 JIGE Cc1ccc(Br)c(C(=O)N(C)C[C@H](Br)COCc2ccccc2)n1 2003266344 FUMHDEHPLHWZQX-HNNXBMFYSA-N 456.178 4.205 50 10 JIGE CC(N)=C(C#N)C(=O)COC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12 2040422073 LUQCAHUGIGLIBE-UHFFFAOYSA-N 450.292 4.146 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CCC=C[C@H]1CBr 2061971068 AFJZFNJWEMVPEA-JTQLQIEISA-N 484.957 4.219 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@@H]2CC[C@H](Cl)[C@H]2C1 2087940584 KWXPQZUZSKROFA-QWRKXWFKSA-N 454.533 4.143 50 10 JIGE O=C(c1cc(Br)ccc1Br)N1C[C@@H](Br)[C@@H](C2CC2)C1 2090684951 MBZPXDHIZMEKLC-DGCLKSJQSA-N 451.984 4.457 50 10 JIGE CN(Cc1ccccc1)C1CN(S(=O)(=O)c2ccc(Cl)c(CBr)c2Cl)C1 2123254990 RSXXYNKUHWZETD-UHFFFAOYSA-N 478.239 4.393 50 10 JIGE O=S(=O)(NC[C@@H]1CCCC2(CCC2)[C@H]1Br)C1CC(OCc2ccccc2)C1 2161299043 WJEBUBHAIDNYAJ-FVELJTHGSA-N 456.446 4.388 50 10 JIGE O=C(c1cccc(F)c1I)N1C[C@@H]2CCC[C@H](C1)C2Br 2167777323 NOIHYHCIYFZKHF-HWYHXSKPSA-N 452.105 4.066 50 10 JIGE O=C(c1cc(I)ccc1F)N1CCC[C@H](CCBr)CC1 2169664398 LWFZYGUJZGHGGP-LLVKDONJSA-N 454.121 4.458 50 10 JIGE Cc1c(CBr)cc(Cl)cc1S(=O)(=O)N1CCN(Cc2ccccc2)C[C@@H]1C 2179862314 UNTVXPDBYCOVNB-HNNXBMFYSA-N 471.848 4.438 50 10 JIGE CC1(C)CN(S(=O)(=O)c2ccc(CCBr)s2)CCCN1Cc1ccccc1 2193725285 MGOZTOVJRAIHMZ-UHFFFAOYSA-N 471.486 4.361 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CC[C@H](C(F)(F)CCl)C1 2197770183 GBBVBEDAVPOKFD-VIFPVBQESA-N 478.502 4.390 50 10 JIGE C[C@@H]([C@H](Br)c1cc(Br)c(Br)cc1F)S(C)(=O)=O 2213493616 WPLOXRCGGHOSLI-RRAGMBSWSA-N 452.965 4.220 50 10 JIGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(OC)cc2)ccc1OS(=O)(=O)c1ccccc1 2313541042 NCTCLWVRPIHEBN-UHFFFAOYSA-N 478.526 4.407 50 10 JIGE O=C(N[C@H](CCBr)COCc1ccccc1)c1cc(F)c(Br)cc1O 2320559756 XWQCVURDFMKDKH-CYBMUJFWSA-N 475.152 4.394 50 10 JIGE O=C(c1cccc(F)c1I)N1CC[C@@H]2CC[C@H](Br)[C@H]1C2 2355755371 NPSPUJUMDKBBFG-XHVZSJERSA-N 452.105 4.208 50 10 JIGE Clc1ccc(CN2C[C@@H]3CC[C@@H](CBr)O[C@H]3C2)cc1I 2362378187 GUFFHMNMYNZBCH-HUBLWGQQSA-N 470.576 4.319 50 10 JIGE COCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)c1C 22093584 IEKRFVMCKYFSOY-LNVYBDQBSA-N 457.958 4.121 50 10 JIGE CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(F)cc3)ccc21 38650454 CFLWEYGHSNOWIV-VWLOTQADSA-N 460.461 4.427 50 10 JIGE COc1cc(/C=C2/C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)ccc1OCC(C)C 101339821 KYVZYUUOZWMGIJ-AWQFTUOYSA-N 474.513 4.251 50 10 JIGE BrCCCc1cc(I)cc(I)c1 139960658 FNRQCGAKIIDEIC-UHFFFAOYSA-N 450.883 4.223 50 10 JIGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)NN=Cc1ccccc1C 252601452 FAXIYLACJWWLRJ-UHFFFAOYSA-N 454.987 4.280 50 10 JIGE CCCCN(CCCC)CN1C(=O)C(=NNC(=O)c2cccnc2)c2cc(Br)ccc21 254550978 XVBAHULLOYNCRM-UHFFFAOYSA-N 486.414 4.185 50 10 JIGE CCOC(=O)c1ccc(-n2c(C)cc(C=NNC(=O)COc3cccc4cccnc34)c2C)cc1 254756528 RXGGSSAVLLGGMA-UHFFFAOYSA-N 470.529 4.348 50 10 JIGE COc1ccc(CO[C@@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)cc1 310598791 BILIRLITUSQSMQ-LJQANCHMSA-N 461.340 4.417 50 10 JIGE FC(F)(F)Oc1nc(Br)c(I)cc1CBr 396179783 LRKBQAMXDQAHJE-UHFFFAOYSA-N 460.813 4.242 50 10 JIGE C[C@@H]1C[C@@H](Br)CN(C(=O)c2ccc(I)c(Br)c2)C1 721613879 MZVLUSLKRUJKED-PSASIEDQSA-N 486.973 4.299 50 10 JIGE O=C(NC[C@@H]1CCC[C@H]1CCl)c1ccc(I)c(Br)c1 721619687 LUKGGQLAEBGZMT-QWRGUYRKSA-N 456.549 4.439 50 10 JIGE Cc1cc(/C=C(\C#N)C(=O)OCC(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)c(C)n1CCC(C)C 728088655 KQVUKEZFSMQHPJ-NIQDBXHUSA-N 463.534 4.204 50 10 JIGE CCOc1ccc(C=NNC(=O)C2=C(C)NC(=S)N[C@H]2c2ccc(Cl)cc2Cl)cc1 1084158586 SMGXWAGICYAXEK-IBGZPJMESA-N 463.390 4.335 50 10 JIGE Cc1c(C(=O)NC2CCCC2)oc2c1C(=NNC(=O)c1ccccc1Br)CCC2 1772744001 NZFZAZCXSFLLDM-UHFFFAOYSA-N 458.356 4.493 50 10 JIGE CCN(CC)c1ccc(/C=N/NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 1860773867 IDGXEAIOOUPBCR-BNTIJYJISA-N 465.623 4.140 50 10 JIGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(OC)c(O)c1)C(C#N)=C(N)O2 1865682883 ZLXRZFOLQRYYHS-OAQYLSRUSA-N 450.926 4.470 50 10 JIGE COc1ccc(-c2csc(/C(C#N)=C(\O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n2)c(C)c1C 1872754450 SUCVBDNUCPGYJS-ZZEZOPTASA-N 490.497 4.433 50 10 JIGE O=C(NC[C@H](Br)CBr)c1csc(Br)c1Br 1961813833 FAMUIKLTGAHRQF-SCSAIBSYSA-N 484.833 4.161 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@H](Cl)[C@H](C2CC2)C1 2090672916 CDYASVHPNSNFDH-JQWIXIFHSA-N 454.533 4.143 50 10 JIGE C#CC[C@@](C)(CBr)CNC(=O)c1cc(Br)ccc1I 2140714053 NTZSAXQWNQLISC-AWEZNQCLSA-N 498.984 4.208 50 10 JIGE CC[C@H]1CN(S(=O)(=O)c2cc(Cl)c(Br)s2)C[C@H]1CBr 2140781981 FGTUOSDLEPASMB-JGVFFNPUSA-N 451.633 4.206 50 10 JIGE CC(C)[C@@H]1CN(S(=O)(=O)C2CCC(CBr)CC2)CCN1Cc1ccccc1 2179831586 YQVLRYZBCBHCOO-MNLRITNHSA-N 457.478 4.112 50 10 JIGE CCCn1cc(S(=O)(=O)N(C)[C@H]2CC[C@@H]2OCc2ccccc2)cc1CBr 2179860149 NOBRFOFUTIXXRN-PMACEKPBSA-N 455.418 4.161 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2CC[C@]2(C)CCBr)cc1Br 2205512205 OWOSQFBAXZQOHI-ZDUSSCGKSA-N 490.055 4.458 50 10 JIGE C[C@@]1(CBr)C=CCCN1c1ncc(I)cc1Br 2246368961 PUWPEIPYZMYMNB-LBPRGKRZSA-N 471.962 4.369 50 10 JIGE Cc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)cc1Br 12500728 NXVPTTRJFWJNTB-UHFFFAOYSA-N 468.376 4.374 50 10 JIGE N#C/C(C(=O)COC(=O)c1ccc(-c2ccccc2)cc1)=C(/c1ccc(F)cc1)N1CCOCC1 13163759 CLMLNHZGVUWNIQ-IMVLJIQESA-N 470.500 4.486 50 10 JIGE CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1 15429881 JYAIWZLAKNQJRG-DEOSSOPVSA-N 473.504 4.130 50 10 JIGE Cc1c(C(=O)Nc2cccc([N+](=O)[O-])c2)oc2c1/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)CCC2 40813059 XYIHBUQAPPBIML-XIEYBQDHSA-N 477.433 4.127 50 10 JIGE COC(=O)c1cc(N/C=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc(C(=O)OC)c1 102463624 JVFACSVUXUPFMK-SFQUDFHCSA-N 479.514 4.377 50 10 JIGE O=S(=O)(NC[C@H]1CCC[C@@H]1Br)c1cc(Br)ccc1Br 136559936 BNGVFZRIZDAVQB-SCZZXKLOSA-N 476.028 4.054 50 10 JIGE Cc1cc(C)cc(-n2c(C)cc(C=NNC(=O)CN(c3cccc(Cl)c3)S(C)(=O)=O)c2C)c1 252615157 JPUJICFTJHYAHO-UHFFFAOYSA-N 487.025 4.281 50 10 JIGE CN1C[C@H](CBr)[C@H](c2cc(Br)ccc2I)C1 382735178 WPSVTOUBASJVCI-GZMMTYOYSA-N 458.963 4.094 50 10 JIGE C[C@H](Br)C[C@@H]1CCCCCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703967440 AAQHIUWEUSOZGY-IRXDYDNUSA-N 499.471 4.057 50 10 JIGE Cc1cccc(NC(=O)N2CCN(C(=O)/C(C#N)=C\c3cn(CCC#N)nc3-c3ccccc3)CC2)c1 728521410 DQGSVRQJBDXAIZ-NKFKGCMQSA-N 493.571 4.055 50 10 JIGE CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNC(=O)[C@@H]2Cc3ccccc3O2)cs1 748139834 KIDBGFXPIBUMGZ-IBGZPJMESA-N 474.464 4.300 50 10 JIGE CCOc1ccc(N(CC(=O)NN=Cc2sccc2C)S(=O)(=O)c2ccc(Cl)cc2)cc1 1083974997 WEFZFHXRJARABH-UHFFFAOYSA-N 492.022 4.454 50 10 JIGE Cc1cc(C=NNC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)c(C)n1-c1ccc(F)cc1 1084083358 VYKIRRBEVMQWHU-UHFFFAOYSA-N 492.576 4.303 50 10 JIGE Cc1ccc(Cl)cc1N(CC(=O)NN=Cc1sccc1C)S(=O)(=O)c1ccccc1 1084312834 DBTLLNGYRAKVPH-UHFFFAOYSA-N 461.996 4.364 50 10 JIGE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NNC(=O)c1ccc(COc2ccc3ccccc3c2)cc1 1312615759 JBEQCWXLORMWOR-ZCYQVOJMSA-N 459.546 4.344 50 10 JIGE C=C(C)[C@@H](NC(=O)NNC(=O)Nc1cc(OC)c(Cl)cc1OC)c1ccc(F)c(F)c1 1469856867 NTUQBSDEUIUPKC-GOSISDBHSA-N 454.861 4.289 50 10 JIGE C#Cc1cccc(NC(=S)NNC(=O)c2ccc(Cl)cc2NC(=O)c2ccoc2C)c1 1644838195 NJRBFWZAVFAFFS-UHFFFAOYSA-N 452.923 4.106 50 10 JIGE COc1ccc(CC(=O)NNC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)nc2C)cc1OC 1865759124 JOKXBUSSNJLUII-UHFFFAOYSA-N 474.344 4.385 50 10 JIGE Cn1nc(C(=O)N[C@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)cc1-c1ccco1 1867243720 AAPSNWVXCQRUQN-QFIPXVFZSA-N 457.515 4.363 50 10 JIGE CC(C)(C)OC(=O)N[C@@H](CBr)C[C@@H]1N(C(=O)OC(C)(C)C)CC12CCOCC2 1893701211 SXVZBYONJQLMFP-CABCVRRESA-N 463.413 4.081 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CC2(CC2)C[C@@H]1CCl 2099149081 ZIEFXUBMEOEZAC-SNVBAGLBSA-N 454.533 4.287 50 10 JIGE CC(C)[C@@H]1CN(S(=O)(=O)c2ccc(CBr)s2)CCN1Cc1ccccc1 2123237853 RGSMQMUHLXSZIC-SFHVURJKSA-N 457.459 4.174 50 10 JIGE BrCc1cc(Br)cc(Br)c1OCc1nnc2n1CCC2 2146924962 RQFQJLZBFHGBDX-UHFFFAOYSA-N 465.971 4.223 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@H](Br)C2(CCC2)C1 2165058182 RHOBHFZXGDPDBQ-LBPRGKRZSA-N 488.039 4.150 50 10 JIGE O=S(=O)(Cc1cccc(CBr)c1)N1CCCN(Cc2ccccc2)CCC1 2179776485 UUKJBOCETASCMI-UHFFFAOYSA-N 451.430 4.009 50 10 JIGE CN(C1CC(OCc2ccccc2)C1)S(=O)(=O)c1ccc(F)c(CBr)c1F 2179861702 LIQOTZYBIMLSSN-UHFFFAOYSA-N 460.340 4.228 50 10 JIGE CC1(C)C[C@H](CNS(=O)(=O)c2ccc(CBr)cc2)CN1Cc1ccccc1 2188956334 MWPURJBLVFVVLZ-LJQANCHMSA-N 451.430 4.161 50 10 JIGE CC1(C)CN(S(=O)(=O)c2cc(CCl)oc2Br)CCCN1Cc1ccccc1 2193720842 FGEOACYJEDDTFO-UHFFFAOYSA-N 475.836 4.456 50 10 JIGE CCOC(=O)C(C#N)=C(O)c1ccc(N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc1 2297551007 LLXYQOQESHNDOF-TXFWVUOCSA-N 490.515 4.439 50 10 JIGE CC(C)(C)OC(=O)N[C@@]12CCC(F)(F)C[C@H]1CN(CCCCI)C2 2303901503 JTQQGIYKWQPRDR-XJKSGUPXSA-N 458.331 4.216 50 10 JIGE Clc1ccc(I)cc1CC12COC(CI)(C1)C2 2307339945 NSGQJEMKSKJIML-UHFFFAOYSA-N 474.507 4.471 50 10 JIGE O=C(NCCSCCCBr)c1cc(Cl)ccc1I 2314052797 KJPAIUDQADSOLP-UHFFFAOYSA-N 462.578 4.193 50 10 JIGE CCOc1ccc(C(=O)C=C2SC(=Nc3ccccc3C(=O)CBr)NC2=O)cc1 2323628452 KSGABUWAQLRPTM-UHFFFAOYSA-N 473.348 4.280 50 10 JIGE O=C(N[C@H]1C[C@@H](CCl)[C@@H]2C[C@@H]12)c1ccc(I)c(Br)c1 2329878489 ZPVXUNBQXUXRCD-XHSYRHOGSA-N 454.533 4.047 50 10 JIGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1cc(Br)cc([N+](=O)[O-])c1 2343415764 HSOMJDKMWMUGPR-INIZCTEOSA-N 486.160 4.458 50 10 JIGE CC(C)[C@H](Cl)C(C)(C)CNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2366002722 LTNFTPCBVHRGLN-IBGZPJMESA-N 457.036 4.052 50 10 JIGE CC(C)c1ccccc1OCC(=O)NNC(=O)COc1ccc2ccccc2c1Br 13979985 MUKYQNAMTBQXMI-UHFFFAOYSA-N 471.351 4.331 50 10 JIGE CC(C)CCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccccc1-c1ccccc1 14034359 IYORTXBKHMQXHQ-UHFFFAOYSA-N 491.613 4.493 50 10 JIGE Cc1nc(-c2ccccn2)sc1C(=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 15515383 HUOCUOMDAZZOSK-UHFFFAOYSA-N 480.553 4.441 50 10 JIGE O=C(COc1ccc([N+](=O)[O-])cc1)N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 20530651 LRQFTHZTWNXAPJ-VULFUBBASA-N 459.437 4.116 50 10 JIGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)C(=O)N1CCOCC1 102855474 QKWHXUQVMVJYEE-JXAWBTAJSA-N 463.335 4.068 50 10 JIGE CCC[C@@H](C)c1nc(N2CCCN(C(=O)[C@H](C)Cl)CC2)c2cnn(-c3ccccc3)c2n1 104924663 XWFNFLFABMIALV-MSOLQXFVSA-N 455.006 4.385 50 10 JIGE CCS(=O)(=O)CCCOc1c(Br)cc(Br)cc1CBr 311512135 HLKCXZLGPTXBRE-UHFFFAOYSA-N 479.028 4.310 50 10 JIGE Cn1c(=O)oc2cc([C@@H](Br)c3sccc3I)ccc21 311810165 AZPHFSUZKRGSKR-LLVKDONJSA-N 450.095 4.282 50 10 JIGE CC1(C)CN(S(=O)(=O)c2cc(CCl)ccc2Br)CCN1Cc1ccccc1 382651274 ZNYASVCDJSMNOW-UHFFFAOYSA-N 471.848 4.473 50 10 JIGE CCO/C(O)=C(/C#N)[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)Nc1ccccc1)[n+]1ccccc1 585145750 CANNDDXDOICCNG-KCJWVSHWSA-O 459.482 4.176 50 10 JIGE Cn1ncc(Br)c1[C@@H](Br)c1cc2nc(O)[nH]c2cc1Br 693082678 AREGFJVYNCXHQG-JTQLQIEISA-N 464.943 4.011 50 10 JIGE Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)NNC(=O)c1cn(C)c2ccccc12 729232493 KHWYSTCQBBLYPG-CQSZACIVSA-N 451.527 4.455 50 10 JIGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)c1nn(-c2cccc(C(F)(F)F)c2)c(C)cc1=O 746181541 DSNRNUBXMOWFRM-UHFFFAOYSA-N 459.380 4.416 50 10 JIGE CCN1C[C@H](CN(C)C(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)Oc2ccccc21 915287403 DLBFRDBWWZQHMB-FOOJEKODSA-N 480.572 4.117 50 10 JIGE O=C(NN=C1C(=O)N(Cc2cccc([N+](=O)[O-])c2)c2ccccc21)c1cccc(Br)c1 1084022873 JVADVFSNDANVHX-UHFFFAOYSA-N 479.290 4.038 50 10 JIGE CCOc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3c(C)cccc3C)c2C)S(C)(=O)=O)cc1 1084122713 XUCKBVXVIOYORC-UHFFFAOYSA-N 496.633 4.026 50 10 JIGE COc1cccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)c1OC 1614809458 GIXGVAOCVGOGHU-SJLPKXTDSA-N 481.330 4.491 50 10 JIGE O=C(c1ccc(Br)cc1Br)N1C[C@H]2[C@H](Br)CC[C@H]2C1 2087938348 WSCHRVPFGWIDFF-XXILOJSOSA-N 451.984 4.457 50 10 JIGE O=C(N[C@H]1C[C@H]2C[C@H]1C[C@@H]2Br)c1ccc(I)c(Cl)c1 2104410077 CLZZIENLLALSNP-QYTUQVAYSA-N 454.533 4.236 50 10 JIGE CC(F)(F)C[C@H](CCl)NC(=O)c1ccc(I)c(Br)c1 2113230773 LITOZEAJENHSTF-MRVPVSSYSA-N 466.491 4.436 50 10 JIGE O=C(c1cc(Br)sc1Br)N1C[C@@H](CBr)OCC12CC2 2127548417 RLTSTKGSDOGVGB-SSDOTTSWSA-N 474.012 4.042 50 10 JIGE O=C(N[C@@H]1CCCC[C@H]1CCBr)c1cc(I)ccc1O 2146718690 JLMQXJAQMFHIGC-GXFFZTMASA-N 452.130 4.070 50 10 JIGE CC1(C)CO[C@@H](CBr)CN1C(=O)c1cc(Br)cc(Br)c1 2167536234 WVACISACKKYNRN-LBPRGKRZSA-N 469.999 4.226 50 10 JIGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1CC=CC[C@H]1CBr 2176378733 WDYSPECNBYDPKU-VIFPVBQESA-N 464.006 4.470 50 10 JIGE CN(Cc1nccn1Cc1ccccc1)S(=O)(=O)c1cc(CBr)ccc1Cl 2179787427 OKTOKPXEAKSDPI-UHFFFAOYSA-N 468.804 4.300 50 10 JIGE Clc1cc(CN2C[C@@H](Br)C[C@@]3(CCCO3)C2)ccc1I 2208035795 HSOSOQMOYRHSBN-WFASDCNBSA-N 470.576 4.463 50 10 JIGE C[C@@H]1C[C@H](CBr)CN1C(=O)Cc1cc(Br)cc(Br)c1 2277923713 FZUXEZNDUUSFQM-MWLCHTKSSA-N 454.000 4.386 50 10 JIGE COc1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccccc3F)nc3ccccn3c2=O)cc1 2296719468 XWHNQQGSXBFEIZ-UHFFFAOYSA-N 456.433 4.180 50 10 JIGE C[C@H](NC(=O)C(C#N)=Cc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1)c1ccccc1 2314489857 TYSUXXCATDSNFJ-SFHVURJKSA-N 470.485 4.397 50 10 JIGE CCOc1cccc(C=NNC(=O)c2ccc(Nc3nc(O)c4ccccc4n3)cc2)c1OC 2323766025 BULLRNDRJROTMJ-UHFFFAOYSA-N 457.490 4.250 50 10 JIGE N#CC(=Cc1ccc(Br)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 2329662405 NVCZJZITCLLNCA-UHFFFAOYSA-N 489.376 4.252 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)C[C@@H]2C[C@@H](OCc3ccccc3)C[C@@H]21 2350100061 UOUANGUQDXUKJV-CMCWBKRRSA-N 496.695 4.321 50 10 JIGE FC(F)(F)Oc1ccc(OCCOCCI)cc1Br 2351679739 KXYBCXSUTFASIE-UHFFFAOYSA-N 455.008 4.178 50 10 JIGE C=C[C@]1(CBr)COCCN1Cc1cc(I)ccc1Cl 2352431902 MKWOIDIAYVJWSV-AWEZNQCLSA-N 456.549 4.097 50 10 JIGE O=C(COC(=O)/C(=C/c1ccc(Cl)cc1)c1ccc(F)cc1)NNC(=O)c1cccs1 2649743 AGSICLQJPLJKIZ-LDADJPATSA-N 458.898 4.086 50 10 JIGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1cccc(O[C@H](C)CC)c1 10670361 ZLZCOTGHKMFRIM-DLBZAZTESA-N 457.596 4.092 50 10 JIGE COc1cc(OC)c(/C=N/NC(=O)COc2ccc(Br)c(C)c2)cc1Br 12484890 ZTESJIKULBGIBL-ZVBGSRNCSA-N 486.160 4.066 50 10 JIGE C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)c1ccc(Cl)cc1I 32486579 IRJMGANSRXHWQE-LBPRGKRZSA-N 494.716 4.326 50 10 JIGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)cc1OC 38658539 LFYGSKMGDQSNEA-SGANQWHYSA-N 490.487 4.434 50 10 JIGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4C)ccc32)c1 38659751 NGUUDGQHXAVWGS-SANMLTNESA-N 472.497 4.215 50 10 JIGE COc1cc(/C=C(\C#N)C2=NN(c3ccccc3)[C@H](N)[C@@H]2C#N)ccc1OCc1cccc(C(=O)O)c1 59301954 HLJFPZDMRNVKAB-NMYXCHFTSA-N 493.523 4.180 50 10 JIGE C[C@H]1CCN(C(=O)c2cc(Br)ccc2I)[C@H]1CBr 235616158 VSLIKGSRMKMNSR-UFBFGSQYSA-N 486.973 4.299 50 10 JIGE CCOC(=O)COc1ccccc1C=NNC(=O)/C(=C/C=C/c1ccccc1)NC(=O)c1ccccc1 252642047 ZJBGTTVLMLHJHC-IFWOCQQUSA-N 497.551 4.106 50 10 JIGE COc1ccccc1NCC(=O)NN=Cc1cc([N+](=O)[O-])ccc1N(CC(C)C)CC(C)C 254385151 HUBINXCFWZUGPK-UHFFFAOYSA-N 455.559 4.284 50 10 JIGE COc1cc(C(=O)Oc2ccccc2C=NNC(=O)COc2cccc(C)c2C)cc(OC)c1OC 254796745 GKYSODCEAYIKQZ-UHFFFAOYSA-N 492.528 4.078 50 10 JIGE COc1cc(C(C)=NNC(=O)CSc2nc3ccccc3n2Cc2ccccc2)ccc1O 254856830 VBVNODISZYCAJT-UHFFFAOYSA-N 460.559 4.431 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C2CCC1(CCl)CC2 722981697 YWCYYECTTGLWGN-UHFFFAOYSA-N 454.533 4.430 50 10 JIGE Cc1cc(/C=C(/C#N)C(=O)Nc2cnn(CCN(C)C)c2)c(C)n1-c1cccc(C(F)(F)F)c1 726944154 WMOPYAODLWDLJV-ODLFYWEKSA-N 470.499 4.417 50 10 JIGE N#CCCn1cc(/C=C(\C#N)C(=O)OCc2cn3ccccc3n2)c(-c2ccc(Cl)cc2)n1 782091264 DWWBHJCMSZDMJU-LDADJPATSA-N 456.893 4.415 50 10 JIGE CCCOc1ccc(C=NNC(=O)CN(c2ccccc2OCC)S(=O)(=O)c2ccccc2)cc1 1083868801 JSZHNNRGKLYWDY-UHFFFAOYSA-N 495.601 4.220 50 10 JIGE CSc1ccc(C=NNC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1 1083989207 YSQMOCZPUBUTHO-UHFFFAOYSA-N 474.007 4.408 50 10 JIGE COc1ccccc1/C(C#N)=C/c1ccc(OC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)cc1 1615099423 YGSBJIGVTASNGF-VXNZKSKFSA-N 452.466 4.349 50 10 JIGE CC(C)CSc1ccccc1C(=O)NNC(=O)[C@H](C)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1865851997 MQBQEAZAEPXMJG-CVEARBPZSA-N 498.674 4.353 50 10 JIGE O=C(N[C@H](CCBr)C(F)F)c1cc(Cl)ccc1I 1918561448 UQYVEEBWQPKOGQ-SECBINFHSA-N 452.464 4.093 50 10 JIGE O=C(c1cc(Br)c(Br)s1)N1C[C@@H]2C[C@@H](CBr)[C@@H]2C1 2053984402 PASNIFJXHPRTAM-FXQIFTODSA-N 458.013 4.376 50 10 JIGE O=C(c1scc(Br)c1Br)N1[C@H](CBr)C[C@H]2OCC[C@H]21 2090536095 XELYYGOLYOBNPP-NBEYISGCSA-N 474.012 4.040 50 10 JIGE CN1CCC[C@H]([C@H](Br)c2cccc(Br)c2Br)S1(=O)=O 2092335581 OMAANGKCLVNAEP-ZYHUDNBSSA-N 476.028 4.072 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@@H]2C[C@H](C[C@@H]2Br)C1 2107293230 QYGHMHAIXFEKHA-ZDMBXUJBSA-N 498.984 4.299 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1C[C@@H]2C[C@@H](CBr)[C@@H]2C1 2117688510 HQNNFVDICSBJHR-DCAQKATOSA-N 454.533 4.048 50 10 JIGE O=C(c1cccc(F)c1I)N1CC[C@@H](Br)C(F)(F)CC1 2150038607 HETUTEPEAXBVNS-SNVBAGLBSA-N 462.047 4.065 50 10 JIGE CN([C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)S(=O)(=O)c1ccc(CBr)cc1 2163050681 LYUCRYYWTOAGMQ-CVEARBPZSA-N 461.422 4.038 50 10 JIGE C[C@]12CN(c3ncc(C(F)(F)F)cc3I)C[C@@]1(CBr)C2 2165480053 DPCZQJRXVQDUJG-RYUDHWBXSA-N 461.063 4.316 50 10 JIGE FC1(COc2c(Br)cc(Br)cc2CBr)COCCOC1 2187295698 YWZOZMPZKWTJGB-UHFFFAOYSA-N 476.962 4.240 50 10 JIGE O=S1(=O)CCC[C@H]1[C@H](Br)c1cc(Br)c(Br)cc1F 2218598353 SQRBWTRFRBZSSC-WDEREUQCSA-N 464.976 4.364 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1C[C@H](Br)C2(CCC2)C1 2268356583 UKHOZHJZCVALRA-LBPRGKRZSA-N 454.533 4.334 50 10 JIGE O=C(c1c(F)cccc1I)N1C[C@@H](Br)CC2(CCC2)C1 2282804842 IGJACGLBLCHYTI-JTQLQIEISA-N 452.105 4.210 50 10 JIGE C=CC[C@@]1(CBr)CCN(C(=O)c2cccc(F)c2I)C1 2287754289 VEXBIDRYSGTQBF-HNNXBMFYSA-N 452.105 4.234 50 10 JIGE CNC(=O)C(C#N)=C1S[C@H](Cc2cccc(C(F)(F)F)c2)C(=O)N1c1ccc(C)c(C)c1 2314593410 MLQCFBNYHKKMME-LJQANCHMSA-N 459.493 4.495 50 10 JIGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(C)cc3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314593940 WEZZEHZWNKANTJ-HSZRJFAPSA-N 473.554 4.339 50 10 JIGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)C1=Cc1cn(-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 2314610815 MQULWQKRDFNBLV-UHFFFAOYSA-N 467.485 4.448 50 10 JIGE CO[C@H]1C[C@H](CBr)N(Cc2ccc(I)c(Br)c2)C1 2325213739 VNFNWEHZCKZJRL-MNOVXSKESA-N 488.989 4.038 50 10 JIGE CC(C)(CI)CN=[S@@](=O)(CCNC(=O)OC(C)(C)C)c1ccccc1 2326669649 PGNHHSZBYVWIAM-RUZDIDTESA-N 480.412 4.499 50 10 JIGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3ccccc3Br)cc2)c1 3170542 DEYSFSAPRQFHON-UHFFFAOYSA-N 452.308 4.085 50 10 JIGE CC[C@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(O[C@H](C)CC)cc2)cc1 10295990 LSJRRXDSXJMNHA-DLBZAZTESA-N 457.596 4.092 50 10 JIGE CCOc1ccc(CC(=O)NNC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)cc1OCC 12491145 DOSYUQZMSZAYGR-UHFFFAOYSA-N 475.545 4.048 50 10 JIGE C=CCOc1ccc(C(=O)NNC(=S)NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 14019363 USYHXPRJIJVUMY-UHFFFAOYSA-N 482.389 4.053 50 10 JIGE Cc1cc(Br)cc(C)c1OCC(=O)NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1 14031670 HXJBGGZOAVCOOP-MRXNPFEDSA-N 471.351 4.213 50 10 JIGE O=C(N/N=C/c1ccc([N+](=O)[O-])s1)c1cccc(NC(=O)c2cccc(Br)c2)c1 27520106 BXNHPIGEDARZLS-SRZZPIQSSA-N 473.308 4.435 50 10 JIGE COc1ccccc1/C(C#N)=C\c1cccc(OC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)c1 31902732 BZOJGGZNBQBCAP-FJSNCCPHSA-N 452.466 4.349 50 10 JIGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)NCc3ccco3)c(Oc3ccc(Cl)cc3)nc12 33380075 DCMJRDQUVWSIGM-VBKFSLOCSA-N 460.877 4.265 50 10 JIGE COc1cc(/C=C(/C#N)c2nn(-c3ccccc3)c(N)c2C#N)cc(Br)c1OCC#N 33399365 DZHYVGPHUIUGSJ-DHDCSXOGSA-N 475.306 4.064 50 10 JIGE O=C(NN1C(=O)/C(=C\c2ccco2)N=C1c1ccccc1)[C@@H](Cl)CC(Cl)(Cl)Cl 33875731 VNINXEWTYNHBQU-FYQHACEVSA-N 461.132 4.308 50 10 JIGE Cc1ccccc1[C@@H]1c2ccsc2CCN1CC(=O)N1CCCN(C(=O)C(C)(C)CCl)CC1 34788004 MKNRAKJYJHODDV-XMMPIXPASA-N 488.097 4.330 50 10 JIGE CCOc1ccc(Nc2ncnc(NNC(=O)c3ccc(Br)cc3)c2[N+](=O)[O-])cc1 40649583 ZYIIJXFOTFIUJY-UHFFFAOYSA-N 473.287 4.047 50 10 JIGE Cc1c(C(=O)NCCC(C)C)oc2c1/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 40813494 BSJUTMCTHSNGBB-PCLIKHOPSA-N 460.918 4.396 50 10 JIGE O=S(=O)(NC[C@@H](Cl)c1ccccc1)c1cc(Br)ccc1Br 96873061 AUJLQIQMWMGKBO-CYBMUJFWSA-N 453.583 4.470 50 10 JIGE N#C/C(=C/c1c[nH]nc1-c1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 98056783 UKUPGATWKJJHDJ-PTNGSMBKSA-N 494.533 4.019 50 10 JIGE COc1cc(/C=C(/C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1ccccc1-c1ccccc1 207222626 DQKGJSZCJWZIAB-QJOMJCCJSA-N 498.535 4.112 50 10 JIGE C[C@H](NC(=O)/C(C#N)=C\NC1CCN(C(=O)OC(C)(C)C)CC1)C12CC3CC(CC(C3)C1)C2 217061851 BSPIJHCQTHFQKZ-RHUXRSCRSA-N 456.631 4.104 50 10 JIGE FC(F)c1ncc(CBr)c(I)c1I 238628521 AYQMFZQQRQGYEX-UHFFFAOYSA-N 473.824 4.123 50 10 JIGE COc1cccc(COC2(CI)CCN(C(=O)OC(C)(C)C)CC2)c1 310598759 YWQXEJNZHBDNHW-UHFFFAOYSA-N 461.340 4.417 50 10 JIGE O=S(=O)(N[C@H](CBr)C1CCCC1)c1cc(Cl)c(Br)s1 386256925 LZBORTZFBNGIPK-SECBINFHSA-N 451.633 4.396 50 10 JIGE CCO[C@@H](CO[C@@]1(CI)CCCN(C(=O)OC(C)(C)C)C1)C1CC1 703479105 NOKFZARVKUQUHL-MAUKXSAKSA-N 453.361 4.023 50 10 JIGE O=C(COc1ccccc1[N+](=O)[O-])NN=Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 918710138 GACZZDMLAIYQRU-UHFFFAOYSA-N 450.398 4.266 50 10 JIGE COc1ccc(-n2c(C)cc(C=NNC(=O)C(=O)Nc3cccc(C(F)(F)F)c3)c2C)cc1 1084002602 ABYNBERMILEQAG-UHFFFAOYSA-N 458.440 4.210 50 10 JIGE Cc1cccc(N(CC(=O)NN=Cc2ccc(OC(C)C)cc2)S(=O)(=O)c2ccccc2)c1 1084443958 NHMQYJJVFSSLIX-UHFFFAOYSA-N 465.575 4.128 50 10 JIGE CC(=O)c1cc(C(=O)NNC(=O)c2ccc(Br)cc2Cl)ccc1OC(C)C 1125894793 DFZMEOJKNKXEKR-UHFFFAOYSA-N 453.720 4.167 50 10 JIGE C=C[C@@H]1OCC[C@H]1NC(=O)NNC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1 1251164920 UVOPNNQLGXFDDI-RPWUZVMVSA-N 457.530 4.220 50 10 JIGE Cc1cccc(-n2ncc(C(=O)NNC(=O)c3ccc(Br)cc3)c2C(F)(F)F)c1 1321447518 OUSRPKSTDFAVMP-UHFFFAOYSA-N 467.245 4.037 50 10 JIGE CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NNC(=O)c1sc2cc(F)ccc2c1Cl 1609904830 FXJORJLXMXIVGL-KRWDZBQOSA-N 457.914 4.419 50 10 JIGE O=C(N[C@H](CBr)C[C@H]1CCCO1)c1cc(Cl)ccc1I 1926731745 HNPLAAJCEZRWJE-WDEREUQCSA-N 472.548 4.007 50 10 JIGE C[C@H](Cn1cnc(I)c1I)c1nc(CCl)cs1 2001527670 FAWLBWQFUDPFBK-ZCFIWIBFSA-N 493.539 4.091 50 10 JIGE Brc1cc(I)cnc1N1[C@H]2CC[C@@H]1C[C@H](Br)C2 2015764839 FUDXITGAANGEHO-LETLQTKMSA-N 471.962 4.343 50 10 JIGE CN(C[C@H]1C[C@H]1Br)C(=O)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2020198439 MSBHZYDIKHBQLQ-WOJBJXKFSA-N 494.474 4.178 50 10 JIGE O=C(Cl)c1c(I)cc(I)cc1OC(F)(F)F 2060033081 HAOIRQDMRWBWHW-UHFFFAOYSA-N 476.357 4.173 50 10 JIGE CC[C@@H](C)[C@@H](CI)NC(=O)c1ccc(F)cc1I 2081235432 GBNODZPPKIVJTM-PRHODGIISA-N 475.083 4.010 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CC[C@H](Cl)C2(CC2)C1 2093177130 BDDYAAOTVGRQDF-LBPRGKRZSA-N 454.533 4.287 50 10 JIGE CC[C@@H]1CN(C(=O)c2ccc(Br)cc2I)C[C@H]1CCl 2142281770 UTHSGZSICBHMCX-NXEZZACHSA-N 456.549 4.391 50 10 JIGE Cc1c([C@H](Cl)c2cc(I)cc3c2OCC3)nn(C)c1Br 2168216726 WJFDMLNOCZWJJO-LLVKDONJSA-N 467.532 4.359 50 10 JIGE C[C@H]1CN(C(=O)c2cccc(Br)c2Br)C[C@@H](CCBr)O1 2179381706 GAMGJSPHNWOYQX-VHSXEESVSA-N 469.999 4.226 50 10 JIGE Cn1nc(Br)c([C@@H](Cl)c2cc(Br)c(Br)s2)n1 2210977113 DHQYXMGFPWCCMP-YFKPBYRVSA-N 450.381 4.492 50 10 JIGE CCN([C@H]1CCC[C@H]1Br)S(=O)(=O)c1cc(Cl)c(Br)s1 2224417159 IJODKNYRKJABSP-APPZFPTMSA-N 451.633 4.491 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1CC[C@H](Br)C12CCC2 2268351366 LHAOZHNBDUMYMG-LBPRGKRZSA-N 454.533 4.477 50 10 JIGE O=C(NC1(CBr)CC2(CCC2)C1)c1c(F)cccc1I 2282779533 CXMOGNNBOVNHAR-UHFFFAOYSA-N 452.105 4.258 50 10 JIGE N#CC(C(N)=O)=C1S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccc(Br)cc1 2293038626 PSUIVYJVPOTSTN-MRXNPFEDSA-N 462.756 4.014 50 10 JIGE CCOc1cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)ccc1OC(=O)c1ccc(Br)cc1 1433882 CSIPAGKBKMTIFT-WGLQLPMYSA-N 497.345 4.251 50 10 JIGE CC(C)(C)c1ccc(C(=O)NNC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1Br 12492745 CLMJSQMVRRUHGV-UHFFFAOYSA-N 458.356 4.170 50 10 JIGE O=C(NNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1ccc(-c2ccc(F)cc2)s1 12784499 JOOGEADGDHRMAR-UHFFFAOYSA-N 460.430 4.076 50 10 JIGE CC(C)(C)c1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2OCCOc2ccccc2)cc1 14040774 DDMOHJDUSRZJOP-UHFFFAOYSA-N 491.613 4.391 50 10 JIGE CC[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)COc1ccc(Br)cc1 14768714 AMQJZFGUKUQMJW-JOCHJYFZSA-N 483.362 4.500 50 10 JIGE CCc1ccc(OCC(=O)NNC(=O)COc2ccc([C@@H](C)CC)cc2Br)cc1 14832306 JOYJBFISWKULKT-HNNXBMFYSA-N 463.372 4.130 50 10 JIGE COc1cc(/C=N/N(C(C)=O)c2nc3ccc(Br)cc3s2)cc(OC)c1OC 35565422 RZMYPVPLLOICAG-UFFVCSGVSA-N 464.341 4.472 50 10 JIGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)cc1 38683503 VKWDBXXTBKTKQJ-IZHWHUGBSA-N 488.471 4.203 50 10 JIGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc32)c1 40530214 NXPRYSKGROAOIW-QHCPKHFHSA-N 457.442 4.431 50 10 JIGE Cc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)N3CCN(c4ccccc4F)CC3)c(C)c21 40811463 QYXGNCVSGPVCPR-JBASAIQMSA-N 488.563 4.468 50 10 JIGE COC(=O)c1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 40812217 VDSWUCQRCSFOHA-ZXVVBBHZSA-N 490.472 4.006 50 10 JIGE CCC(C)(C)C(=O)O[C@H]1CC(C)=CC2=C[C@@H](OO)[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21 77300858 GORLEWXBBZEXHV-VVSCFXOTSA-N 450.572 4.198 50 10 JIGE in-vitro Cc1c(C(=O)NNC(=O)c2cccc(Cl)c2)oc2c1/C(=N/NC(=O)c1cccc(Cl)c1)CCC2 101601536 UEFISVNTERKOLR-OVVQPSECSA-N 499.354 4.440 50 10 JIGE Cc1sc(Br)cc1S(=O)(=O)N[C@H]1c2ccccc2C[C@H]1Br 137002323 GPCDTOSAZPHULJ-RISCZKNCSA-N 451.205 4.158 50 10 JIGE Brc1ccc(I)c([C@@H](Br)Cc2ncc[nH]2)c1 232477025 FJWGLQHDMYBFKK-VIFPVBQESA-N 455.919 4.456 50 10 JIGE Cc1ccc(SCC(=O)NN=Cc2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)cc1 254519534 JQBOVGWUYMCMQI-HXUWFJFHSA-N 461.587 4.494 50 10 JIGE CC1(C)[C@]2(C(=O)NNC(=O)[C@]34CC[C@](C)([C@@H]3Br)C4(C)C)CC[C@@]1(C)[C@@H]2Br 256020067 VBXBDLBJSFSXQO-HDSBVRFBSA-N 490.280 4.313 50 10 JIGE C[C@H]1CN(Cc2ccccc2)C[C@]1(C)CNS(=O)(=O)c1ccc(CBr)cc1 379947576 DHKHOFANAOGDTL-UWJYYQICSA-N 451.430 4.018 50 10 JIGE ClCCc1nc2cc(I)ccc2n1C[C@@H]1CN(Cc2ccccc2)CCO1 380662969 UGBKUYBBFXYWLI-SFHVURJKSA-N 495.792 4.323 50 10 JIGE CCO[C@H](CO[C@](C)(CI)CN(CC)C(=O)OC(C)(C)C)C1CC1 703477661 DWBBTVWKRYIBNY-CRAIPNDOSA-N 455.377 4.269 50 10 JIGE Cc1cc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)c(C)n1C[C@H]1CCCO1 852997397 CBYXDJVIXHMKSA-GOCMFVSOSA-N 492.601 4.183 50 10 JIGE COC(=O)COc1cccc(NC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)c1 914780869 FWXSXROPHZEUAA-PDGQHHTCSA-N 489.919 4.215 50 10 JIGE CN(C)[C@@H](CNC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1)c1ccccc1Cl 914846982 GJKJHJAZCTZBIF-ATOQVSERSA-N 472.980 4.443 50 10 JIGE CC(=NNC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1O)[C@@H]1C[C@@H]1c1ccccc1Cl 920372992 LZDAFTHHEMKDPT-LEWJYISDSA-N 498.004 4.434 50 10 JIGE CC(=NNC(=O)c1ccc(CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1)c1cccs1 1084540345 IKWSLIKKCUZVSM-UHFFFAOYSA-N 455.605 4.485 50 10 JIGE C#CC[C@H](CCOC)NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(Br)cc2)c1C 1461930829 BXMMLBSLLXPGGZ-CKNGIZQFSA-N 454.368 4.308 50 10 JIGE COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cc(C)ccc2C)cc1OC 1865710587 CAQBBKJIJNYCGH-XMMPIXPASA-N 460.534 4.101 50 10 JIGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)NNC(=O)Cc1ccccc1[N+](=O)[O-] 1865759662 LKOWLPNCMATAQE-UHFFFAOYSA-N 459.289 4.276 50 10 JIGE COc1cccc(CCN2CCN(c3cc(Nc4ccc(SC#N)cc4)nc(C)n3)CC2)c1 1868480563 PBUUSCHQDFRQLH-UHFFFAOYSA-N 460.607 4.475 50 10 JIGE O=C(NC1CC([C@H](F)CBr)C1)c1cccc(Br)c1Br 1906537961 MSRWFTVHJKJBAW-OIAXGBPSSA-N 457.963 4.453 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OC[C@@](C)(F)C(F)(F)F)C1 2017066167 HBUPGLUNSTUMDW-KGLIPLIRSA-N 469.257 4.498 50 10 JIGE CCOC(=O)Cc1c(Br)cc(CBr)cc1I 2054988800 GZEHKNNVTUPWGM-UHFFFAOYSA-N 461.919 4.054 50 10 JIGE CC(C)(C)OC(=O)NCCCN(C(=O)[C@@H]1C[C@@H]1Br)c1cccc(Br)c1 2076173744 SXULLDOKHQEHFH-CABCVRRESA-N 476.209 4.480 50 10 JIGE CC1CC(CCl)(CNC(=O)c2cc(I)ccc2Br)C1 2128721345 PPPVVKNXJMRJGK-UHFFFAOYSA-N 456.549 4.439 50 10 JIGE CC[C@@H](C)[C@H](CBr)NS(=O)(=O)c1cc(Br)ccc1Br 2136497926 XMVSDWRYYNTRPM-KCJUWKMLSA-N 478.044 4.300 50 10 JIGE O=C(N[C@@H]1COC2(CCC2)[C@@H]1Br)c1cc(Br)sc1Br 2141543935 KPDQPWGKCHITOO-VXNVDRBHSA-N 474.012 4.088 50 10 JIGE Cc1ccc(C(=O)N(C)C2(CBr)CCSCC2)cc1I 2232830691 MULKFMKPIFJRPW-UHFFFAOYSA-N 468.198 4.332 50 10 JIGE Cc1nn(-c2ccc(F)cc2)c(Cl)c1C=C(C#N)C(=O)Nc1ccc(N2CCOCC2)cc1 2297382395 FJIGTGLMGPMHQL-UHFFFAOYSA-N 465.916 4.356 50 10 JIGE CN(C[C@H](Br)COCc1ccccc1)C(=O)c1cc(F)c(Br)cc1O 2317248063 SHMRBYZAOSJUHM-ZDUSSCGKSA-N 475.152 4.346 50 10 JIGE N#CC(=CNc1cccnc1Cl)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324605359 OVHUFGJFNUOMMD-UHFFFAOYSA-N 457.965 4.488 50 10 JIGE O=C(N[C@H]1C[C@@H](CCl)[C@@H]2C[C@H]12)c1ccc(I)c(Br)c1 2329878491 ZPVXUNBQXUXRCD-YVNDNENWSA-N 454.533 4.047 50 10 JIGE O=C(N[C@H]1CC[C@@H]2C[C@]12CBr)c1ccc(I)c(Br)c1 2331772361 KFSWHTSZBFFQFN-LJWDBELGSA-N 498.984 4.347 50 10 JIGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)C(c1ccccc1)c1ccccc1 13980524 LUQIMDDJKSCWJR-LJQANCHMSA-N 475.614 4.433 50 10 JIGE CC(C)c1ccc(OCC(=O)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)cc1 13981652 BTEMYKKBOAZLOX-UHFFFAOYSA-N 452.338 4.062 50 10 JIGE C[C@H]1CN(C(=O)CN2CCc3sccc3[C@@H]2c2ccccc2)CCN1C(=O)C(C)(C)CCl 34829601 BUXHQTVXGMGAMJ-MBSDFSHPSA-N 474.070 4.020 50 10 JIGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)cc1 38650352 LCGKKMFNMHRTCB-OYLFLEFRSA-N 460.461 4.425 50 10 JIGE Cc1cc(C)cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc([N+](=O)[O-])cc2)c1 38654881 AFEDATHIULZFNP-VWLOTQADSA-N 471.469 4.414 50 10 JIGE O=C(NNc1ncnc(Nc2ccc(OC(F)(F)F)cc2)c1[N+](=O)[O-])c1cccc(Cl)c1 40658608 ZXCHXTFJGPMUAA-UHFFFAOYSA-N 468.779 4.437 50 10 JIGE CCOC(=O)[C@@H]1C[C@H](I)[C@@H](OCc2ccc(Br)cc2)C1 231319341 APOPLKPSOCYPNW-XBFCOCLRSA-N 453.114 4.111 50 10 JIGE O=C(c1cc(I)ccc1O)N(CCBr)Cc1ccccc1 236566036 VAGXMTQRSDSNLM-UHFFFAOYSA-N 460.109 4.034 50 10 JIGE COc1ccc(OC(C)=O)c(C=NNC(=O)COc2cc(C)c(Br)cc2C(C)C)c1 252601216 DXYURXTXXQNTKW-UHFFFAOYSA-N 477.355 4.344 50 10 JIGE Cc1ccc(-c2csc3ncn(CC(=O)NN=Cc4c(O)ccc5ccccc45)c(=O)c23)cc1 254480255 JOXZVFANYHHWMM-UHFFFAOYSA-N 468.538 4.443 50 10 JIGE CC(C)CCN1C(=O)C(=NNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)c2ccccc21 254509526 HTMBBTPZZQAXLQ-UHFFFAOYSA-N 496.614 4.076 50 10 JIGE C[C@H]1CN(C(=O)c2cc(I)ccc2Br)C[C@H](C)C1Cl 688087100 PBCYLTHISNTQBH-IUCAKERBSA-N 456.549 4.389 50 10 JIGE C=CCN(C(=O)/C(C#N)=C/c1cc(C)n(C[C@@H]2CCCO2)c1C)c1nc(C(=O)OCC)cs1 749127401 FHCHUIGCMWXSJM-RQRMZWKBSA-N 468.579 4.043 50 10 JIGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)NC[C@@H]2CCCC[C@@H]2C(C)(C)C)cc1 920850203 CWQITFAHRUDOON-IJUGHUDQSA-N 491.636 4.310 50 10 JIGE O=C(NN=Cc1cccc(Cl)c1Cl)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 1083889376 IRSSKKBFMQZQQY-LBPRGKRZSA-N 455.139 4.259 50 10 JIGE O=C(NN=Cc1ccc2c(c1)OCO2)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 1084052431 TYUUTEXNHAFODC-UHFFFAOYSA-N 466.291 4.194 50 10 JIGE CC(=NNC(=O)CSc1nnc(CNc2ccccc2)n1-c1ccccc1)c1ccccc1O 1084290615 XFRONFURTXDHQJ-UHFFFAOYSA-N 472.574 4.218 50 10 JIGE COc1ccc(C=NNC(=O)COc2c(C)cc(Br)cc2Br)c(OC)c1 1084433000 JCIPNFQWLUJXLF-UHFFFAOYSA-N 486.160 4.066 50 10 JIGE Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)NNC(=O)c3cc(-c4ccco4)nc4ccccc34)c12 1087999189 BBJHVQSGOQZPGS-UHFFFAOYSA-N 492.495 4.420 50 10 JIGE N#CSc1ccc(NC(=O)Nc2ncccc2OCC(=O)OCCOc2ccccc2)cc1 1858854969 UBFOYAXXNKQGNL-UHFFFAOYSA-N 464.503 4.300 50 10 JIGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(F)cc2)[C@H]1c1ccc(O)c(O)c1 1865680563 OHEXNPNFVQPPTG-QFIPXVFZSA-N 454.461 4.367 50 10 JIGE COc1ccc(-c2nn(CC(C)C)c3c2[C@H](c2cccc(OC)c2OC)C(C#N)=C(N)O3)cc1 1865700975 IRQCFHHYRPOXFA-OAQYLSRUSA-N 460.534 4.450 50 10 JIGE Cc1ccc(-c2ccc(C(=O)NNC(=O)c3ccc(I)cc3)c(C)n2)cc1 1865757676 PGZUGQMEYCUUGB-UHFFFAOYSA-N 471.298 4.045 50 10 JIGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccc(N3CCCC3=O)c2)cc1 1866613398 YQPQEDGPPGBTRO-XMMPIXPASA-N 484.581 4.366 50 10 JIGE COc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)ccc1OC(=O)c1ccccc1 1873794842 CYWBFGRUKHBQAR-BJRSOBTISA-N 483.565 4.304 50 10 JIGE O=C1c2ccccc2C(=O)N1CCc1nccn1-c1cccc(Br)c1CBr 1913030983 SITGSTTUFVRPSF-UHFFFAOYSA-N 489.167 4.368 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCNC1CC2(C1)CC(NC(=O)OC(C)(C)C)C2 1985349753 FOXFMUNRBBDJNW-UHFFFAOYSA-N 461.694 4.318 50 10 JIGE C[C@@]1(CCBr)CCN1c1ncc(I)cc1Br 1994700665 QEQJNHMWROCFOW-LLVKDONJSA-N 459.951 4.203 50 10 JIGE C[C@@H](Br)CCc1cn(-c2ccc(Br)c(I)c2)nn1 2068991273 LZJQXPGAVAKZFO-MRVPVSSYSA-N 484.961 4.350 50 10 JIGE CN1CCC[C@@H]([C@H](Br)c2cccc(Br)c2Br)S1(=O)=O 2092335578 OMAANGKCLVNAEP-CMPLNLGQSA-N 476.028 4.072 50 10 JIGE C[C@H]1C[C@H](Br)[C@H](C)CN1S(=O)(=O)c1cc(Cl)c(Br)s1 2093114109 GEWLULZXVSHQTP-CSMHCCOUSA-N 451.633 4.347 50 10 JIGE COc1c(Br)cc(C)cc1[C@H](Cl)c1cnn(C)c1I 2138995749 AYRPCUSHTZPRGV-NSHDSACASA-N 455.521 4.432 50 10 JIGE C[C@H]1CN(C(=O)c2ccc(Br)cc2I)C[C@@]1(C)CCl 2142290003 WYMYHWRNNSJBGT-LKFCYVNXSA-N 456.549 4.391 50 10 JIGE O=S(=O)(C[C@H](Cl)c1cc(Br)ccc1I)N1CCCCC1 2145643613 YCGVIHYONBLKHK-LBPRGKRZSA-N 492.604 4.149 50 10 JIGE Cc1cc(CBr)ccc1S(=O)(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 2179788273 AGZKBCVPHZQOKC-FQEVSTJZSA-N 451.430 4.175 50 10 JIGE Cc1cc(CBr)cc(S(=O)(=O)N2CCC=C(Br)C2)c1Br 2179829017 WNUGENVIDQOMRF-UHFFFAOYSA-N 488.039 4.326 50 10 JIGE Cc1c(CBr)cc(Cl)cc1S(=O)(=O)N1CC2(CN(Cc3ccccc3)C2)C1 2179860871 YVEYEUFFESGLDF-UHFFFAOYSA-N 469.832 4.050 50 10 JIGE O=C(c1cc(C(F)(F)F)ccc1Br)N1C[C@@H](Br)[C@H](Br)C1 2196129772 RGZLHJXAHIFIFC-NXEZZACHSA-N 479.916 4.451 50 10 JIGE O=C(NC[C@@]12CCC[C@@]1(CBr)C2)c1cc(I)ccc1F 2208035669 GSOBMEIBTXZUPN-GJZGRUSLSA-N 452.105 4.115 50 10 JIGE C[C@@H]1CN(C(=O)c2ccc(Cl)c(I)c2)CC[C@@H]1CBr 2268353713 NMGIDWLBHWQIBE-MWLCHTKSSA-N 456.549 4.438 50 10 JIGE CC(C)(C)OC(=O)N1CCCN([S@](C)(=O)=NCCCCCCCBr)CC1 2277455057 MABSKSAPTZBIFW-AREMUKBSSA-N 454.475 4.287 50 10 JIGE C[C@H]1CN(C(=O)Cc2cc(Br)cc(Br)c2)C[C@@H]1CBr 2277934736 KGHVHWOQVZNQCF-ONGXEEELSA-N 454.000 4.244 50 10 JIGE O=S1(=O)C[C@@H]2[C@H]([C@@H](Cl)c3c(F)cc(Br)c(F)c3Br)[C@@H]2C1 2288347960 ZZIJYMFDIXFEAQ-YMVRNGRXSA-N 450.526 4.060 50 10 JIGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1ccc(O)c(Br)c1 2303699217 JJRHKXFIPXEPLO-HNNXBMFYSA-N 457.162 4.255 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1[C@H](CBr)[C@H]2CC[C@@H]1C2 2340051327 AVDJDBKKKQNXKU-IYYTYJHQSA-N 454.533 4.333 50 10 JIGE COc1ccc([C@H](Br)c2c(Br)c(Br)nn2C)cc1OC 2364062800 CIGXQOWCKOSMTA-JTQLQIEISA-N 468.971 4.447 50 10 JIGE COc1cc(Cl)cc(CBr)c1OCc1ncc(I)cn1 2381294469 DJOMYNCDFWUOMQ-UHFFFAOYSA-N 469.504 4.217 50 10 JIGE N#C/C(=C\c1ccc(CNS(=O)(=O)c2ccccc2)o1)C(=O)Nc1cccc(C(F)(F)F)c1 881165 NNMGHHQMNNMTHT-RVDMUPIBSA-N 475.448 4.323 50 10 JIGE CCOc1ccc(NC(=O)CCC(=O)NNC(=O)[C@@H](CC)Oc2ccccc2[C@@H](C)CC)cc1 10683400 YJXTUORXZYONGR-PGRDOPGGSA-N 469.582 4.323 50 10 JIGE C=CCOc1ccc(/C=C2/C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1OCC 40514701 PQNOPPJLOINIBW-XQNSMLJCSA-N 472.541 4.494 50 10 JIGE CN1C(=O)/C(=N\NC(=O)COc2ccc(C3CCCCC3)cc2)c2cc(Br)ccc21 59165607 PCDLCGFNGCPJKU-ROMGYVFFSA-N 470.367 4.373 50 10 JIGE CC1(C)C[C@H](N=C=O)C[C@](C)(CNC(=O)Nc2n[nH]c3c2CCN(Cc2ccccc2)C3)C1 170290926 XNVUFQSXAZBGHI-DFBJGRDBSA-N 450.587 4.010 50 10 JIGE CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2OC)cc1 206416280 PVFTXXXCHJAMIF-SILNSSARSA-N 485.606 4.450 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N(C)CCCCBr)cc1Br 384992948 MYPYGIUWYFZKKR-UHFFFAOYSA-N 478.044 4.316 50 10 JIGE O=S(=O)(N[C@H](CBr)CC(F)(F)F)c1ccc(Cl)c(Br)c1 717827202 DWUJLVGFJZEOJU-LURJTMIESA-N 459.509 4.097 50 10 JIGE COc1ccc(OC)c(C=NNC(=O)c2ccccc2NC(=O)c2ccccc2Br)c1 725274288 OEZGPLAVGRPKCT-UHFFFAOYSA-N 482.334 4.483 50 10 JIGE C[C@@H](OC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1)C(=O)NC1CCCCC1 782092298 DTMYSBRHHYYVRY-GMYFBSLISA-N 479.968 4.405 50 10 JIGE Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)c(C)n1-c1ccc(F)cc1 918641155 GBDHQNHKYKMTGL-LFVJCYFKSA-N 499.590 4.476 50 10 JIGE Cc1ccc(N(CC(=O)NN=Cc2cccc(C)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084344469 LBNHJTZHOASPMN-UHFFFAOYSA-N 455.967 4.302 50 10 JIGE CCOc1cc(C=NNC(=O)C(=O)Nc2ccccc2CC)ccc1OCc1ccc(F)cc1 1084638448 CMIIKEDRLRMJKO-UHFFFAOYSA-N 463.509 4.455 50 10 JIGE Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CC=C(C#N)CC3)ccc2Cl)cc1Cl 1650894175 BVDOVNFNDCQOBG-UHFFFAOYSA-N 450.347 4.399 50 10 JIGE Cc1ccc(C)c(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccccc2C(=O)O)c1 1865703922 ISISULHCBZPHEK-GOSISDBHSA-N 468.435 4.483 50 10 JIGE COc1cc(/C=C(\C#N)S(=O)(=O)c2ccccc2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 1872727366 VCNVLBJPMKQKEW-UDWIEESQSA-N 464.455 4.161 50 10 JIGE O=C1c2ccccc2C(=O)N1C[C@H](Br)CCc1ccc(I)cc1 1884185831 YSROUYYRCHYPJW-CYBMUJFWSA-N 484.131 4.284 50 10 JIGE CSCC[C@@H](C(=O)NN(Cc1ccccc1)Cc1ccccc1)N1C(=O)c2ccccc2C1=O 1923394510 RFXWXSGDJIRHGH-DEOSSOPVSA-N 473.598 4.138 50 10 JIGE CC1(C)CN(c2ncc(I)cc2Br)C[C@@H]1CBr 2015766366 SEWLSQVEIJHELU-QMMMGPOBSA-N 473.978 4.306 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H](Br)C2(CC2)C1 2032396310 AHHDZVBONXZUIQ-LLVKDONJSA-N 484.957 4.053 50 10 JIGE COc1ccc(C=C2N=C(SCC(=O)C(C#N)=C(C)N)N(c3cc(C)cc(C)c3)C2=O)cc1 2040422625 ZHRWUOLASSMCBK-UHFFFAOYSA-N 460.559 4.114 50 10 JIGE CC1CC(CBr)(CNS(=O)(=O)c2cc(Cl)c(Br)s2)C1 2128733687 DENDAUSHHYHNET-UHFFFAOYSA-N 451.633 4.254 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@@H]2CC[C@H](Br)[C@H]2C1 2144221947 NSNWHWWVZAHYRH-LSJOCFKGSA-N 488.039 4.006 50 10 JIGE O=S(=O)(c1ccc(CBr)s1)N1CCCN(Cc2ccccc2)CC(F)(F)C1 2179814791 HTRHXMAAFBKFRB-UHFFFAOYSA-N 479.412 4.175 50 10 JIGE Cc1cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC(F)(F)C2)sc1CBr 2179821860 OXBRYSZUHHKMTC-UHFFFAOYSA-N 479.412 4.093 50 10 JIGE CC1(C)CN(C(=O)c2c(F)cccc2I)C[C@@H]1CCBr 2282769774 ASNJNYAVBHHYHI-JTQLQIEISA-N 454.121 4.314 50 10 JIGE COc1cc(C=C(C#N)C(=O)NC(C)C)ccc1OC(=O)COc1cc(Cl)ccc1Cl 2314737436 KNDWTPFOOKGZNT-UHFFFAOYSA-N 463.317 4.418 50 10 JIGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1cccc(C)c1 2314754807 CPPDMNZAVAXOPU-UHFFFAOYSA-N 460.486 4.195 50 10 JIGE N#CC(=CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1cccc(S(=O)(=O)O)c1 2324209626 JBUXBIYJVIIMHJ-UHFFFAOYSA-N 479.358 4.429 50 10 JIGE COC(=O)c1ccccc1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)CC1=O 2331335730 INQKDVIJSGIXCF-HNNXBMFYSA-N 489.509 4.171 50 10 JIGE COc1ccc(-c2csc(C(C#N)=C(O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)cc1Cl 2331399482 PTDBVIIJUYQSHJ-UHFFFAOYSA-N 496.888 4.469 50 10 JIGE COc1ncc(Br)c(C)c1CO[C@H](CCl)[C@H](I)CCl 2342361699 NPPWUWDASDMJHX-GHMZBOCLSA-N 482.971 4.328 50 10 JIGE C[C@H]1CN(Cc2ccccc2)C[C@@H](C)[C@]1(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2349645446 JVINTFMISPBCEH-NHKMSHSESA-N 497.727 4.094 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@H]2CC[C@H]1[C@H](Br)C2 2349962272 ZZLUHVWCLMSGLH-KDDOJWQBSA-N 498.984 4.442 50 10 JIGE N#C/C(C(=O)NCc1ccco1)=C1\S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(F)cc1 1889019 ITLFBPSWUIPPLN-VLBGROSNSA-N 465.481 4.300 50 10 JIGE N#CC1=C(SCC(=O)Nc2ccc(Br)cc2)NC(=O)C[C@H]1c1ccccc1[N+](=O)[O-] 3150636 WKBXWODGQGHTCT-HNNXBMFYSA-N 487.335 4.068 50 10 JIGE O=C(COc1ccc2ccccc2c1)NNC(=S)NC(=O)C(c1ccccc1)c1ccccc1 12502697 VCBLKJTZMAACPC-UHFFFAOYSA-N 469.566 4.073 50 10 JIGE CC(C)COc1ccccc1C(=O)NC(=S)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 14035355 YOOLSIOOGPBURA-CYBMUJFWSA-N 484.405 4.131 50 10 JIGE CCCC(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(OCC(C)C)c(Br)c2)cc1 14653003 NICPNJSZDXKCSL-UHFFFAOYSA-N 476.371 4.297 50 10 JIGE O=C(N/N=C/c1ccc2c(c1)OCO2)c1cccc(NC(=O)c2ccccc2Br)c1 20494749 SPKKMGDLWJNQFM-WYMPLXKRSA-N 466.291 4.194 50 10 JIGE CCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(C)cc2Br)c(OC)c1 40878952 RTUKKZDTUOWCOY-GZTJUZNOSA-N 487.350 4.184 50 10 JIGE C=CCOc1ccc(/C=C2\C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1OCC 214404431 PQNOPPJLOINIBW-KQWNVCNZSA-N 472.541 4.494 50 10 JIGE CC(=NNC(=O)Cn1nc([N+](=O)[O-])cc1C)c1ccc(OCc2cccc3ccccc23)cc1 254519068 VLDWZJSZRHTHGF-UHFFFAOYSA-N 457.490 4.372 50 10 JIGE CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=C/C=C/c2ccccc2[N+](=O)[O-])cc1 254739577 NVCOIDATNUUVPI-FILIJWOMSA-N 483.528 4.247 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N(CCCBr)C2CC2)cc1Br 404227014 QXJBDVMTOMUQEL-UHFFFAOYSA-N 490.055 4.458 50 10 JIGE COc1cc(C(=O)NNC(=O)[C@@H](Oc2ccc(F)c(Cl)c2)c2ccccc2)cc(OC)c1OC 730468840 HVIZGVSQMKBZHX-NRFANRHFSA-N 488.899 4.086 50 10 JIGE COc1ccc(NC(=O)COC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(F)cc3)c2C)c([N+](=O)[O-])c1 786605168 DPQUVCMJJJPDQV-WQRHYEAKSA-N 492.463 4.239 50 10 JIGE COc1ccc(NC(=O)C(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1 1084216174 WRASQIRPGLIZIC-UHFFFAOYSA-N 459.333 4.498 50 10 JIGE C=C(C)[C@H]1OCC[C@H]1CNC(=O)NNc1ccc(S(=O)(=O)c2ccc(C(C)C)cc2)cc1 1227480563 VFNIYGVHTBPLBD-WMZHIEFXSA-N 457.596 4.250 50 10 JIGE C#Cc1cccc(NC(=S)NNC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)c1 1455404889 GMRFZTLJKNZUMP-UHFFFAOYSA-N 454.577 4.490 50 10 JIGE CC(=O)N1CC[C@@H](CN(C)C(=O)/C(C#N)=C/c2cc(C)n(-c3cccc4ccccc34)c2C)C1 1535464732 KFUQWYIOILPDEP-IBUSPFOHSA-N 454.574 4.481 50 10 JIGE CC(C)(C)OC(=O)N(CCNS(=O)(=O)c1ccc(CCCl)cc1)OCc1ccccc1 1962817616 VNDDDYIHRYOMLQ-UHFFFAOYSA-N 469.003 4.115 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCCC12CN(C(=O)OC(C)(C)C)C2 1985350322 OMPTZYHQWCDBJO-MRXNPFEDSA-N 461.694 4.272 50 10 JIGE COC(=O)[C@H](Br)CN(CCCNC(=O)OC(C)(C)C)c1cccc(Br)c1 2106403091 CIMFVGFTMMPDEE-OAHLLOKOSA-N 494.224 4.107 50 10 JIGE O=C(c1c(Br)cccc1Br)N1C[C@H]2CC(Br)C[C@@H]2C1 2128654374 GCELCPYJDPKQIY-RKDXNWHRSA-N 451.984 4.457 50 10 JIGE CC1(C)CN(Cc2ccc(I)c(Cl)c2)C[C@H](CBr)O1 2142943985 QDUDVOLXUNTSLT-NSHDSACASA-N 458.565 4.319 50 10 JIGE O=S(=O)(N[C@H]1C[C@H]2C[C@H]1C[C@H]2Br)c1cc(Br)ccc1Br 2160695870 GPVPYQCBDULWQJ-FCMYFTRRSA-N 488.039 4.052 50 10 JIGE CN([C@@H]1CN(Cc2ccccc2)C(C)(C)C1)S(=O)(=O)c1ccc(CCBr)s1 2179818864 FELHXSWTIHJCPO-KRWDZBQOSA-N 471.486 4.359 50 10 JIGE C[C@@H](c1nscc1Br)N(C)S(=O)(=O)c1ccsc1CBr 2186580143 INTIEEPTZHJZGY-ZETCQYMHSA-N 460.238 4.244 50 10 JIGE C[C@]1(CCOCc2ccccc2)CCN1S(=O)(=O)Cc1cccc(CBr)c1 2197756878 YFAXTTZRRNFPNY-OAQYLSRUSA-N 452.414 4.483 50 10 JIGE O=C(c1cc(Br)ccc1Br)N1CC[C@H](OCCCBr)C1 2207042312 CQQYZOLJFRCJDR-NSHDSACASA-N 469.999 4.228 50 10 JIGE COc1c(C)cc(Br)cc1[C@H](Br)c1nn(C)nc1Br 2226975273 UQBZBWOSMIXJEY-VIFPVBQESA-N 453.960 4.141 50 10 JIGE Cc1cc(I)ccc1NC(=O)C(C#N)=CNc1cc(Br)ccn1 2325411912 JPBAVBXZQDJSJJ-UHFFFAOYSA-N 483.107 4.215 50 10 JIGE COc1ccc(C=NNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1OCc1ccccc1 2328828087 MLUJJOAKMCSOIH-FQEVSTJZSA-N 453.539 4.124 50 10 JIGE CC[C@@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(OCCC(C)C)cc2)cc1 10296081 GFDOHUHHKGZBJT-QGZVFWFLSA-N 457.596 4.238 50 10 JIGE CCOC(=O)c1nn(-c2ccc(OC(F)(F)F)cc2)c(=O)c2c(NC(=O)CCCl)scc12 10383402 MHRACZZAKNDRGE-UHFFFAOYSA-N 489.859 4.090 50 10 JIGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=S)NC(=O)c2cc(Cl)cc(Cl)c2)c1 10506036 MPFUMVZZOJCTLV-UHFFFAOYSA-N 454.379 4.140 50 10 JIGE Cc1ccc2c(c1Br)C(=NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N2 12577933 YVOCQUHBALVVTL-VIFPVBQESA-N 471.138 4.304 50 10 JIGE Cc1cc(OCC(=O)NNC(=O)c2ccc(OCCOc3ccccc3)cc2)ccc1Br 14039505 ZIZWQHUZCIWCOG-UHFFFAOYSA-N 499.361 4.055 50 10 JIGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)cc1 38683457 AUYXEXSXKSRUJA-DEOSSOPVSA-N 490.899 4.329 50 10 JIGE CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc3c(c2)C[C@H](C)O3)C1=O 101332495 AGJXPYNSBCSZEM-QIWJOQEQSA-N 464.525 4.475 50 10 JIGE COc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2OC)cc1 206431910 BKWUKQDJMLFBAD-GJGBNZORSA-N 458.470 4.139 50 10 JIGE CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2ccccc2O)cc1 252633649 WFERTIJBSMUAMC-SRHUZQGESA-N 456.546 4.160 50 10 JIGE Cc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(C(=O)O)cc3)n2-c2ccccc2)cc1 254403353 KOSWCUNDBHUSMX-UHFFFAOYSA-N 471.542 4.183 50 10 JIGE COc1cc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc(C)c(C)c3)cc2)cc(OC)c1OC 254837735 PDQJHAAPRZWWIU-UHFFFAOYSA-N 492.528 4.078 50 10 JIGE O=C(NC[C@@H]1CCC[C@@H](CBr)C1)c1ccc(F)cc1I 380425484 YMEZCOOQTYXZQX-GHMZBOCLSA-N 454.121 4.361 50 10 JIGE CCCc1cc(CCl)cc(-n2cnc(I)c2I)n1 381053446 SAWODJSWXBVHNG-UHFFFAOYSA-N 487.510 4.168 50 10 JIGE O=C(N[C@@H](CBr)CC(F)F)c1cc(Br)c(Br)s1 717725218 WJMSJVABVYBNJT-SCSAIBSYSA-N 455.944 4.422 50 10 JIGE COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2N2C[C@H](C)O[C@@H](C)C2)c1C 917759912 GQBHEFIOIJYRIC-HPJUKNBHSA-N 450.583 4.472 50 10 JIGE CCOc1cc(C=NNC(=O)c2ccc(C)cc2)ccc1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1084538258 XAJCLDIMFPRKOZ-UHFFFAOYSA-N 492.444 4.193 50 10 JIGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCc3nc4ccccc4[nH]c3=O)n2)c(OC)c1 1872755593 VNKGXMJHLUCMDH-PGMHBOJBSA-N 460.515 4.489 50 10 JIGE C[C@H]1[C@@H](Br)CCN1Cc1ccc(I)c(Br)c1 1904343816 MRJQUINMQHEVST-WPRPVWTQSA-N 458.963 4.411 50 10 JIGE O=C(CBr)Nc1cc(Br)c(I)c(Br)c1 1931650961 VHGZLDJMMIAEHL-UHFFFAOYSA-N 497.750 4.150 50 10 JIGE Cc1nc(I)c(I)n1-c1ccc(CCl)cc1 1936388632 OHWMECVDEXIXIM-UHFFFAOYSA-N 458.468 4.129 50 10 JIGE CS(=O)(=O)C1([C@@H](Br)c2sc(Br)cc2Br)CC1 1979972106 CCFANFNHHAZMSM-QMMMGPOBSA-N 453.015 4.286 50 10 JIGE C[C@@H]1CN(c2ncc(I)cc2Br)[C@H](C)C[C@@H]1Br 2015767197 OASBTUUQKYGLPL-MRTMQBJTSA-N 473.978 4.447 50 10 JIGE CCOc1ccc(OC(F)(F)F)c(C(=O)CBr)c1I 2055054649 UPSVFWPMQKRTNC-UHFFFAOYSA-N 452.992 4.166 50 10 JIGE CCN(C[C@@](C)(CI)O[C@H]1C[C@H](n2ccnc2)C1)C(=O)OC(C)(C)C 2063757826 MDTCLFYPVFWJGJ-IIDMSEBBSA-N 463.360 4.054 50 10 JIGE CN1CCC[C@H]([C@@H](Br)c2c(Br)cccc2Br)S1(=O)=O 2094099959 YQKDTFHHAYAVFL-ZYHUDNBSSA-N 476.028 4.072 50 10 JIGE CC1(C)[C@@H](Cl)C[C@@H]1CNC(=O)c1cc(I)ccc1Br 2097953439 ZBYFBWXUBDOQOI-PELKAZGASA-N 456.549 4.437 50 10 JIGE Cn1c(=O)n(C)c2cc([C@@H](Br)C3(Br)CC3)c(Br)cc21 2111889458 DUBPULRLXMRHLG-LLVKDONJSA-N 452.972 4.003 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@@H]2CC[C@@H](Cl)[C@H]2C1 2142278839 IRLRLDQTNPNCMY-KPXOXKRLSA-N 454.533 4.143 50 10 JIGE CC(C)[C@H](C)[C@H](CNS(=O)(=O)c1ccc(CBr)cc1)NC(=O)OC(C)(C)C 2162588695 ISXOATIICHSIQT-YOEHRIQHSA-N 463.438 4.045 50 10 JIGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CCC([C@H](F)CBr)CC1 2163245159 LGROIPFJMNFNAQ-SECBINFHSA-N 469.623 4.298 50 10 JIGE C[C@@H](c1nscc1Br)N(C)S(=O)(=O)c1cc(CBr)cs1 2186578037 DAYRHYDSQPYWHL-ZETCQYMHSA-N 460.238 4.244 50 10 JIGE CN(C[C@@H]1C[C@@H]1Br)S(=O)(=O)c1cc(Cl)cc(CBr)c1Cl 2196936591 SIVSQXRZJUBLAN-WPRPVWTQSA-N 466.022 4.292 50 10 JIGE Clc1cc(CN2C[C@H](Br)C[C@]3(CCCO3)C2)ccc1I 2208035793 HSOSOQMOYRHSBN-IUODEOHRSA-N 470.576 4.463 50 10 JIGE C[C@H](CBr)CC1CN(C(=O)c2cc(Cl)ccc2I)C1 2230539387 YDLGTTVNOKGOLC-VIFPVBQESA-N 456.549 4.438 50 10 JIGE CC(CBr)(CBr)NC(=O)c1ccc(Cl)cc1I 2301794408 NAKXCDWNSLWFFR-UHFFFAOYSA-N 495.380 4.223 50 10 JIGE Cn1cc(I)c(COc2cccc(CBr)c2Br)n1 2319229961 YOCUYNCOXCUGNP-UHFFFAOYSA-N 485.945 4.261 50 10 JIGE C[C@H](Cl)C[C@@H]1COCCN1Cc1ccc(I)c(Br)c1 2349856134 NLOOXEZXSFHXCP-CMPLNLGQSA-N 458.565 4.272 50 10 JIGE O=C(c1ccccc1I)N1CC[C@H](Br)C[C@H]1C(F)(F)F 2361452278 JOHPLSIQCLCEAS-KWQFWETISA-N 462.047 4.222 50 10 JIGE CC[C@H](Br)[C@H]1CCCCN1C(=O)c1c(Br)c(Br)nn1C 2364230501 NKHMVBAFPUMEBG-DTWKUNHWSA-N 472.019 4.113 50 10 JIGE O=C(N[C@@H](CBr)C[C@H]1CCCO1)c1ccc(Cl)cc1I 2365597744 KAEHDRODBQEATI-GHMZBOCLSA-N 472.548 4.007 50 10 JIGE Cc1cc(OCC(=O)NC(=S)NNC(=O)c2ccc(Cl)cc2)c(C(C)C)cc1Br 13976512 XLYYMMIGKBCTPQ-UHFFFAOYSA-N 498.830 4.249 50 10 JIGE CC(C)COc1ccc(C(=O)NNC(=O)COc2ccc(C(C)C)cc2Br)cc1 14030358 AHQCXWJURCKLQV-UHFFFAOYSA-N 463.372 4.447 50 10 JIGE Cc1ccccc1OCC(=O)NNC(=O)c1ccc(OCCc2ccccc2)c(Br)c1 14669687 LQIVKHMPWJXPAB-UHFFFAOYSA-N 483.362 4.219 50 10 JIGE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cc(C)oc2C)c1 15834980 OPQZBFXFHKMSNO-UHFFFAOYSA-N 487.965 4.006 50 10 JIGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)cc4)ccc32)c1OC 38658758 IAKNGDVVJOTKIL-RUZDIDTESA-N 472.497 4.215 50 10 JIGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)cc1 38683724 FYNGOQRTYIOGOA-XMMPIXPASA-N 490.899 4.329 50 10 JIGE Cc1ccc2cccc(Oc3ncnc(NNC(=O)c4ccc(Br)cc4)c3N)c2n1 40752329 URTNSMQRTZQZPR-UHFFFAOYSA-N 465.311 4.227 50 10 JIGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CCCC[C@@H]1CCBr 124204551 GBIKIBFYCQHWSH-MRVPVSSYSA-N 451.633 4.492 50 10 JIGE COC(=O)[C@H](Br)COc1c(Br)cc(Br)cc1Br 160400332 RNIOTGIDLXJQQQ-MRVPVSSYSA-N 495.787 4.289 50 10 JIGE CCn1cc(/C=N\NC(=O)c2ccc(Nc3nc4ccccc4c(=O)[nH]3)cc2)c2ccccc21 169927917 DPBUYCVLVKIJOM-DICXZTSXSA-N 450.502 4.405 50 10 JIGE CCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(/C=C(/C#N)C(=O)OCC)cc2OC)cc1 206311033 YSDMETQTQCDWCZ-GYYIQJFNSA-N 460.486 4.467 50 10 JIGE FC(F)c1c(I)cc(CBr)nc1I 238588556 XHFSTXNSMBDABF-UHFFFAOYSA-N 473.824 4.123 50 10 JIGE Cc1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)cc1O 382680382 BVFYZAMXJHUODP-ROUUACIJSA-N 451.304 4.488 50 10 JIGE CC[C@H](C)[C@H](CO[C@]1(CI)CCCN(C(=O)OC(C)(C)C)C1)OC 384786732 WJWOFEBDJGENJE-MPGHIAIKSA-N 455.377 4.269 50 10 JIGE COc1ccc(C)cc1C1(CNS(=O)(=O)c2ccc(CCCCl)cc2)CCOCC1 726973730 KHWKQNGVMIWZPG-UHFFFAOYSA-N 452.016 4.202 50 10 JIGE COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)OCC(=O)c3ccc4c(c3)NC(=O)[C@@H](C)O4)c2C)cc1 728086038 JVYWQBAYSGLQQW-UZQMFHLOSA-N 499.523 4.155 50 10 JIGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(C)cc2)cc1OC 1865707439 XBVFGRNOOJYDPM-LJQANCHMSA-N 470.451 4.494 50 10 JIGE COc1cc(/C=N/NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)ccc1OCc1ccccc1 1873795270 FCLIUFRUQISEGG-WGLQLPMYSA-N 455.555 4.274 50 10 JIGE COc1ccc(/C=N/NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)cc1OCc1ccccc1 1873795447 JTURQQLZTWAVDI-WGLQLPMYSA-N 455.555 4.274 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CC[C@@H](Cl)C12CCC2 1914408669 LQRBZTSYTGRTNQ-GFCCVEGCSA-N 454.533 4.430 50 10 JIGE Cc1c(C(=O)N(Cc2ccccc2)[C@H](CBr)C2CC2)nn(C)c1Br 2002827365 DDGRXJRCKMNVKL-OAHLLOKOSA-N 455.194 4.307 50 10 JIGE C[C@H](CCCCCI)NC(=O)c1sccc1I 2006101740 HTEJUDMKMILXOM-SECBINFHSA-N 477.149 4.466 50 10 JIGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2ccc(CCl)cc2)C1 2084717668 PTWZNZPCXFMPLZ-QFIPXVFZSA-N 458.002 4.277 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@H](Cl)CC12CCC2 2099383672 RJAYHKUNRKYTSB-SNVBAGLBSA-N 454.533 4.430 50 10 JIGE O=C(NC[C@@H](Br)CBr)c1ccc(Br)cc1C(F)(F)F 2116369749 WYEGGONIZXTXFX-ZETCQYMHSA-N 467.905 4.356 50 10 JIGE BrC[C@@H]1CO[C@H]2CN(Cc3cccc(Br)c3Br)C[C@@H]12 2121592312 LOLYYEVXCUJXJY-MDZLAQPJSA-N 454.000 4.053 50 10 JIGE CN([C@@H]1CN(Cc2ccccc2)C(C)(C)C1)S(=O)(=O)c1csc(CBr)c1 2123237364 OLVWWPQTBDGUEV-INIZCTEOSA-N 457.459 4.317 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1CC[C@H]2[C@H](C1)[C@@H]2CBr 2268347229 QXSIVYKVWUGGET-MXWKQRLJSA-N 454.533 4.048 50 10 JIGE O=C(NC[C@@]12CCC[C@@]1(CBr)C2)c1c(F)cccc1I 2282812595 UHPFLLHKWCOWQJ-GJZGRUSLSA-N 452.105 4.115 50 10 JIGE COc1ccc(C[C@@H]2SC(=C(C#N)C(=O)NCc3ccco3)N(c3ccc(C)cc3)C2=O)cc1 2296507212 YMWSXBHMPSWGLP-QHCPKHFHSA-N 473.554 4.339 50 10 JIGE COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1C=C(C#N)C(=O)NCCc1ccccc1 2296542748 INWYJWNITYZQQV-UHFFFAOYSA-N 480.524 4.070 50 10 JIGE Cc1cc(C=C(C#N)C(=O)O[C@H](C)C(=O)NCc2ccc3c(c2)OCO3)c(C)n1CCC(C)C 2297486946 IMGHDIUNAHQRBZ-LJQANCHMSA-N 465.550 4.035 50 10 JIGE CO[C@@H]1[C@@H](Br)C[C@H]1OCc1cc(I)ccc1Br 2302823437 ZYFAZUZSHRLWNC-QJPTWQEYSA-N 475.946 4.121 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OC[C@@H]2CO[C@]3(C)C[C@H]2C3)C1 2318557109 HREXJWYTGIPOIE-SAKMYQHLSA-N 465.372 4.023 50 10 JIGE CCOc1cc(C=NNC(=O)c2cc(-c3ccccc3)nc(O)n2)cc(Cl)c1OC(C)C 2323693715 QGKPWLSWXDLGQA-UHFFFAOYSA-N 454.914 4.452 50 10 JIGE Brc1cc(C[C@H]2CN(C3CC3)C[C@H]2Br)ccc1I 2325227346 ZEIPTJRWTUOGPF-GXFFZTMASA-N 485.001 4.454 50 10 JIGE Cc1ncc(CCl)c(OCc2cc(I)ccc2Br)n1 2341552998 UCTUNOORUFSYOH-UHFFFAOYSA-N 453.505 4.470 50 10 JIGE ClC[C@@]12CCCO[C@@H]1CN(Cc1ccc(I)c(Br)c1)C2 2377317108 ONJKLCFAFXOUPE-HUUCEWRRSA-N 470.576 4.274 50 10 JIGE COc1cc([C@H]2C(C#N)=C3N=C(N)c4ccccc4N3C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC 3654555 RHHDQJOOQLNWQF-QHCPKHFHSA-N 484.556 4.413 50 10 JIGE N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1nn(CCO)c(N)c1C#N 33398913 DTSCKBLSNNYJOA-SXGWCWSVSA-N 454.317 4.279 50 10 JIGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)cc1OC 38659547 FOVGBFGQPBTLME-XMMPIXPASA-N 487.468 4.439 50 10 JIGE Cc1occc1C(=O)N/N=C1\C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 59147282 BWPWEFGBVIEAST-GFMRDNFCSA-N 452.308 4.074 50 10 JIGE CC1=C(C(=O)N/N=C/c2ccc(N(C)C)cc2)[C@@H](c2ccc(Cl)cc2Cl)NC(=S)N1 59384960 ZTTZHUIJSKIYJV-CCYMUMOUSA-N 462.406 4.003 50 10 JIGE CCCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(OC)c(OC)c2)cc1 100154532 FMWZMIBRCYRUOQ-UHFFFAOYSA-N 473.595 4.002 50 10 JIGE C[C@H](CCBr)CNC(=O)c1cc(Br)ccc1I 235439031 ZLMNCSXDKWEEQV-MRVPVSSYSA-N 474.962 4.205 50 10 JIGE Cn1ccnc1CCOc1c(Br)cc(Br)cc1CBr 382031926 RTHSBLCFJOYEKY-UHFFFAOYSA-N 452.972 4.462 50 10 JIGE Cc1c(O)cccc1[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CI 382690448 IAFATHXPKAHHQR-FUHWJXTLSA-N 451.304 4.488 50 10 JIGE O=C(NC[C@H]1CCC[C@@H]1CCl)c1ccc(I)c(Br)c1 721619684 LUKGGQLAEBGZMT-GHMZBOCLSA-N 456.549 4.439 50 10 JIGE COCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)c1C 727414054 ZLBJLEVHDQMWGX-WKDXJHLXSA-N 480.996 4.286 50 10 JIGE N#C/C(=C/c1cc(Br)cc(I)c1O)C(=O)Nc1ccccc1 1083922644 VBMOUTUCXLGERT-WDZFZDKYSA-N 469.076 4.305 50 10 JIGE CC(=O)CCc1ccc(OCC(=O)NNC(=O)c2cc3c(s2)CC[C@H](C(C)(C)C)C3)cc1 1587070413 WBWWQDOQWRXDNO-IBGZPJMESA-N 456.608 4.261 50 10 JIGE C=CCNC(=O)c1oc2c(c1C)C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772750129 UTVZUUFEDCUCSZ-UHFFFAOYSA-N 450.322 4.046 50 10 JIGE O=C(COc1cccc(Cl)c1)NN=C1C(=O)N(Cc2ccccc2Cl)c2ccccc21 1772752432 LQLZVXSCUBDWON-UHFFFAOYSA-N 454.313 4.440 50 10 JIGE CCc1ccc(OCCCC(=O)NNC(=O)c2ccc(-c3ccc(OC)c(OC)c3)nc2C)cc1 1865758941 BCTJNPJDDSDURM-UHFFFAOYSA-N 477.561 4.257 50 10 JIGE O=C(NNc1ccccn1)[C@@H]1CCCN(C(=O)/C=C/c2ccc(OCc3ccccc3)cc2)C1 1873777598 LUJNZONEMGWEMO-HRNYAPDYSA-N 456.546 4.056 50 10 JIGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@@H]1C[C@@H]1Br 1877387888 BIGQXEYBSUFZDK-UZQPLGKSSA-N 471.395 4.449 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1C[C@H]2CC[C@@]2(CBr)C1 1903985281 WFTKWWOZKSROOV-YMTOWFKASA-N 454.533 4.192 50 10 JIGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1CC[C@@](F)(CBr)C1 1917122260 COWCONUWBRJEFN-LLVKDONJSA-N 469.985 4.254 50 10 JIGE O=C1c2ccccc2C(=O)N1C[C@H](Br)CCc1cc(Br)cc2c1OCC2 1994837514 MKAPIMBYJZNPQQ-CQSZACIVSA-N 479.168 4.376 50 10 JIGE CN(CC(F)(F)CBr)C(=O)c1cc(Br)ccc1I 2033567254 QXEDDPYWIMKOQB-UHFFFAOYSA-N 496.915 4.156 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CC2(CC2)C[C@@H]1CBr 2099149017 YLGHUDLXPGISTL-SNVBAGLBSA-N 498.984 4.443 50 10 JIGE C[C@H]1CN(C(=O)c2cc(Br)ccc2I)CC[C@@H]1CCl 2109038078 DZGLPDPMYRWWEV-VHSXEESVSA-N 456.549 4.391 50 10 JIGE CC(F)(F)C[C@H](CBr)NC(=O)c1ccc(I)c(Cl)c1 2113235326 IQTIQIHDMPISGW-MRVPVSSYSA-N 466.491 4.483 50 10 JIGE O=S(=O)(c1cc(CCl)sc1Br)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 2132362202 FVOVVIDAASRHIY-GOEBONIOSA-N 475.861 4.144 50 10 JIGE CN1CCN(Cc2c(Br)cccc2Br)[C@@H](CCBr)C1 2138068713 HJXQHDIIBMNCNW-NSHDSACASA-N 455.032 4.113 50 10 JIGE COC1(CBr)CCN(Cc2ccc(I)c(Cl)c2)CC1 2142949923 NLNHYYCKLLHFFR-UHFFFAOYSA-N 458.565 4.321 50 10 JIGE Cc1c(Br)c(CC(CBr)(CBr)C2CCOCC2)nn1C 2150216776 CPCQLULZNSACAG-UHFFFAOYSA-N 473.047 4.236 50 10 JIGE Cn1cc([C@@H](Br)c2cc3c(cc2Br)OCCO3)c(Br)n1 2173181282 CQBVXRXNQFRDHB-LBPRGKRZSA-N 466.955 4.201 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2C[C@H]3C[C@H](Br)[C@H]2C3)cc1Br 2177182550 BTMNUSXCQSRAHT-PTOFAABTSA-N 488.039 4.066 50 10 JIGE CN(CC1CC(F)(F)C1)S(=O)(=O)c1cc(CBr)sc1Br 2179774386 FBTXDQYPCRWNRA-UHFFFAOYSA-N 453.168 4.071 50 10 JIGE CC(F)(F)[C@H]1CCCN1S(=O)(=O)c1cc(CBr)sc1Br 2179794016 BMMWLYAIWMXDAM-SECBINFHSA-N 453.168 4.214 50 10 JIGE CN(C[C@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)C1CCC(CBr)CC1 2179826453 SEGBLIAESZXNAP-VEDCXYSMSA-N 457.478 4.114 50 10 JIGE O=S(=O)(c1ccc(CCCBr)cc1)N1CC[C@H](COCc2ccccc2)C1 2179857810 FFSJJMVUHJSYNU-FQEVSTJZSA-N 452.414 4.242 50 10 JIGE O=S(=O)(c1ccc(CBr)cc1Cl)N1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 2187749497 XXNMKVFVDSBQSE-ROUUACIJSA-N 469.832 4.130 50 10 JIGE CC(C)(C)OC(=O)N1CCC(CI)(OCC2CC(OC(F)F)C2)CC1 2222549508 BJTCJSQZFTXYNR-UHFFFAOYSA-N 475.314 4.226 50 10 JIGE CC(C)(C)OC(=O)NC[C@@H]1CN(CCCCI)CC[C@H]1C(F)(F)F 2248246950 DJIKBCXKYHUOFX-CHWSQXEVSA-N 464.310 4.227 50 10 JIGE O=C(N[C@H]1C[C@@H](CBr)[C@@H]2C[C@H]12)c1csc(Br)c1Br 2309223305 DONXIIGREFXKJP-AZRUVXNYSA-N 458.013 4.422 50 10 JIGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)[C@@H](C)Oc1cccc(OC)c1 2314771199 ZYTLLVUBECOTLM-GOSISDBHSA-N 490.512 4.283 50 10 JIGE COC(C)(C)C1(CO[C@@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)CC1 2320552528 QWZIOAJDOOKOOW-LJQANCHMSA-N 467.388 4.413 50 10 JIGE CCN(C[C@](C)(CI)OCc1ccc2nccn2c1)C(=O)OC(C)(C)C 2343488481 HKZNJAHDAFMNMT-IBGZPJMESA-N 473.355 4.302 50 10 JIGE COc1nn(Cc2ccc(I)c(Br)c2)c(OC)c1CCl 2377295031 PUPPWTYEIGBAFY-UHFFFAOYSA-N 471.520 4.055 50 10 JIGE O=C(N[C@@H]1C[C@@H](CBr)C12CCC2)c1cccc(F)c1I 2379717360 GELDIKBWRUPVQH-JOYOIKCWSA-N 452.105 4.114 50 10 JIGE COc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)c3cc4ccccc4cc3O)cc2)cc1 3081609 CXCVPDNNKJZPTC-WGOQTCKBSA-N 476.510 4.086 50 10 JIGE O=C(CNC(=O)c1ccc(F)cc1)NN=Cc1cc(Br)ccc1OCc1ccccc1 15979710 UTPXOKOZPNPAIP-UHFFFAOYSA-N 484.325 4.047 50 10 JIGE aggregator COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)c1OC 38658881 HMVFECNQRZBSPF-OWJWWREXSA-N 490.487 4.434 50 10 JIGE N#CC1=C(N)Oc2cc(OC(=O)c3cc4ccccc4oc3=O)ccc2[C@H]1c1cccc(F)c1 38700478 OXUHWPRWNGRMTQ-HSZRJFAPSA-N 454.413 4.369 50 10 JIGE O=C(NNc1ncnc(Nc2cccc(Br)c2)c1[N+](=O)[O-])c1ccccc1Cl 40658295 WNKNEHPGHFSZDD-UHFFFAOYSA-N 463.679 4.301 50 10 JIGE N#C/C(=C\c1ccccc1)C(=O)Oc1ccc2cc(C(=O)NCCc3ccccc3)c(=O)oc2c1 40894234 KGBXEPCAEUIMSJ-PXLXIMEGSA-N 464.477 4.278 50 10 JIGE CCCCCCCOc1ccc(C(=O)NNC(=O)COc2ccc(C(=O)OCCC)cc2)cc1 100153812 FOMYJYIHHRATLL-UHFFFAOYSA-N 470.566 4.443 50 10 JIGE FC(F)c1cc(I)c(I)c(CBr)n1 238683315 ZEGRUESOAOMFSC-UHFFFAOYSA-N 473.824 4.123 50 10 JIGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)C(=O)Nc2ccc(C)cc2)cc1 254482997 MFZZRVGXYJGLPC-UHFFFAOYSA-N 481.508 4.465 50 10 JIGE CCn1c(SCC(=O)NN=Cc2ccc(C(=O)OC)cc2)nnc1-c1ccc(C(C)(C)C)cc1 254738871 NMZKNRDZLWCTFT-UHFFFAOYSA-N 479.606 4.292 50 10 JIGE COc1ccc(C=NNC(=O)CSc2nnc(SCc3ccccc3)s2)c(OC)c1 254865174 XTQRULNNXYWONA-UHFFFAOYSA-N 460.606 4.090 50 10 JIGE Cc1cc(CCl)cc(S(=O)(=O)N2CCN(Cc3ccccc3)C[C@H]2C)c1Br 382648665 SKRWEMOXUKTNNQ-MRXNPFEDSA-N 471.848 4.391 50 10 JIGE O=S1(=O)CCC[C@@H]1[C@H](Br)c1cc(Br)sc1Br 694702289 RLUPHSIQQUDQSH-HTRCEHHLSA-N 453.015 4.286 50 10 JIGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccccc2OCc2ccc3c(c2)OCO3)cc1 725397834 YNJULJSDMLYLHG-HSZRJFAPSA-N 476.529 4.357 50 10 JIGE O=C(NNC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12)c1cc(Br)c[nH]1 727728008 NEELHPJCKXXDEN-UHFFFAOYSA-N 484.285 4.072 50 10 JIGE CC(=O)CCc1ccc(OCc2cccc(C(=O)NNc3ccc(C(F)(F)F)nn3)c2)cc1 1466636993 JZJGOJUPDUOVLD-UHFFFAOYSA-N 458.440 4.353 50 10 JIGE Cc1c(C(=O)Nc2ccccn2)oc2c1C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772747443 HYYHLMKDDHHFAZ-UHFFFAOYSA-N 467.869 4.267 50 10 JIGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@@H](c2ccc(O)c(O)c2)C(C#N)=C(N)O3)cc1 1865680787 VYZVMVAGZXGIKC-QFIPXVFZSA-N 452.470 4.177 50 10 JIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2Cl)cc(OC)c1OC 1865693455 VVMRJKAFRAOFSZ-HXUWFJFHSA-N 452.898 4.078 50 10 JIGE CCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1cc(Cl)c(O)c(OC)c1)C(C#N)=C(N)O2 1865706640 BMVHAZJKGXKZFR-IBGZPJMESA-N 454.889 4.219 50 10 JIGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc([N+](=O)[O-])cc1)C(C#N)=C(N)O2 1865712837 JHROCDDPTOLPCD-SFHVURJKSA-N 466.295 4.324 50 10 JIGE CCOC(=O)c1cnn(-c2cccc(Cl)c2)c1NC(=O)/C(C#N)=C/c1ccc(OCCOC)cc1 1866215280 LPPYXYWKVONKOU-QGOAFFKASA-N 494.935 4.273 50 10 JIGE Cc1nc(CC(=O)N[C@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)co1 1867226157 JZRMYGRYOZSNBS-OAQYLSRUSA-N 466.588 4.156 50 10 JIGE CN(C[C@H](Br)COCc1ccccc1)S(=O)(=O)c1cccc(C(F)(F)F)c1 1916364295 KRJUCVRVHMKUGT-INIZCTEOSA-N 466.319 4.306 50 10 JIGE C[C@@H](Cl)c1nnnn1-c1cc(Br)c(I)c(Br)c1 1946432771 OARWBCVALRHIGA-SCSAIBSYSA-N 492.340 4.092 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCNC1CC2(CCN(C(=O)OC(C)(C)C)C2)C1 1985350537 RTHAJEDBKDZCKY-UHFFFAOYSA-N 461.694 4.272 50 10 JIGE C[C@@H](Br)[C@@H]1CCN1C(=O)c1ccc(I)c(Br)c1 2011147576 XNRPNQBGZMNPTJ-HQJQHLMTSA-N 472.946 4.052 50 10 JIGE O=C(Cl)c1cc(OC(F)(F)F)c(I)cc1I 2060033285 LJEFXWAOIOIQNY-UHFFFAOYSA-N 476.357 4.173 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@H]2C[C@H](Br)[C@H]1C2 2086139151 LBRCWGXIRAPYRQ-VIRWGQHYSA-N 484.957 4.052 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CCC2(CC(Cl)C2)C1 2117409320 MYWXLYGZBGYMTM-UHFFFAOYSA-N 454.533 4.287 50 10 JIGE Cc1cc(S(=O)(=O)N2C[C@@H](C)N(Cc3ccccc3)C[C@@H]2C)sc1CBr 2123242898 CCTSXRBITADOFS-CVEARBPZSA-N 457.459 4.235 50 10 JIGE CC(C)[C@@H](C)[C@@H](CNS(=O)(=O)c1ccc(CBr)cc1)NC(=O)OC(C)(C)C 2162588693 ISXOATIICHSIQT-RHSMWYFYSA-N 463.438 4.045 50 10 JIGE Cc1c(F)cc(CBr)cc1S(=O)(=O)N(Cc1ccccc1)C[C@@H]1CCCO1 2179863644 POXXVRUNOVVDTI-SFHVURJKSA-N 456.377 4.399 50 10 JIGE O=S(=O)(N[C@@H]1CC[C@@H]2C[C@@]21CBr)c1cc(Br)ccc1Br 2188622268 DZJCZUCGRODCRZ-BZHVJNSISA-N 488.039 4.054 50 10 JIGE O=C(c1cc(Br)ccc1I)N1[C@H]2CC[C@H]1[C@@H](F)[C@@H](Cl)C2 2190669984 HNMZCTDKZOGYCQ-JBSCMGISSA-N 472.523 4.376 50 10 JIGE CC(C)(C)OC(=O)N[C@H](Cc1cccc(Br)c1)C(=O)NCC1CC(Br)C1 2229114171 NOINKRBDRQAPAX-AVVWSFFYSA-N 490.236 4.175 50 10 JIGE CSCC[C@H](Br)CCNC(=O)c1cc(C)ccc1I 2232168125 XQIIEFRNDANSMZ-LLVKDONJSA-N 456.187 4.236 50 10 JIGE CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1C[C@@H](Br)C1 2241638093 SJCBYYGCRMPOMK-GASCZTMLSA-N 457.368 4.346 50 10 JIGE Clc1cc(I)c([C@H](Br)[C@@H]2CCn3ncnc3C2)s1 2316777260 LJDNVXCYAVFHIH-LHLIQPBNSA-N 458.550 4.296 50 10 JIGE COC[C@](C)(CBr)N(C)Cc1ccc(I)c(Br)c1 2325221363 FWTHLVBMMGZURD-ZDUSSCGKSA-N 491.005 4.286 50 10 JIGE CC[C@H](C)[C@H](C(=O)Nc1sc(C(C)=CC#N)c(C)c1C(=O)OC)N1C(=O)c2ccccc2C1=O 2331562127 ICDMIJKWHYCSOI-ORAYPTAESA-N 479.558 4.419 50 10 JIGE C[C@H](Br)CCCN(C)S(=O)(=O)c1cc(Br)ccc1Br 2336088077 CDVJXLXMSFTHTK-VIFPVBQESA-N 478.044 4.396 50 10 JIGE O=C(N[C@@H]1C[C@@H]2C[C@H]1C[C@H]2Br)c1ccc(Cl)cc1I 2340052830 SYPXSRZWBCJRGP-HTLPYRINSA-N 454.533 4.236 50 10 JIGE CC[C@@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1 10296174 OQRVVZWXLGJFGG-IAGOWNOFSA-N 465.575 4.120 50 10 JIGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=O)COc1c(C)cc(Br)cc1C 12489804 GECUBEJYSAPRHC-CQSZACIVSA-N 463.372 4.185 50 10 JIGE O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)NN=Cc1ccc(Br)cc1)c1cccs1 13147050 OHFBWJDDFOHHKS-HXUWFJFHSA-N 495.402 4.483 50 10 JIGE Cc1ccc(C(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1Br 14031773 OVJRFLAZBXCXRB-CQSZACIVSA-N 486.391 4.014 50 10 JIGE O=C(CNc1ccc(I)cc1)N/N=C/c1ccc(OCc2ccc(F)cc2)o1 20291513 KVOREOKCTNIQIC-BHGWPJFGSA-N 493.276 4.165 50 10 JIGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)cc1 58893232 NGPUHZWRJKJMGM-UTZZCCADSA-N 464.522 4.365 50 10 JIGE COc1cc(Cl)c(/C=N/NC(=O)COc2ccc(Cl)cc2Br)cc1OC 66202231 WRGWDXDSSHMHHA-ODCIPOBUSA-N 462.127 4.302 50 10 JIGE C=CCNC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(OC)cc1 101241736 DCSZNVFCGFDWIK-ZNCVUUBVSA-N 498.402 4.186 50 10 JIGE CN1C(=C(C#N)C(=O)CCC(=O)N[C@@H]2CCOc3ccc(Br)cc32)N(C)c2ccccc21 108873827 WBKSBZLCTXGZKW-GOSISDBHSA-N 495.377 4.060 50 10 JIGE O=C(NC[C@@H]1CC[C@H](Br)C1)c1cc(I)ccc1Br 227683888 GOHHLWBXDQEKNU-BDAKNGLRSA-N 486.973 4.347 50 10 JIGE CN1CCN(Cc2ccccc2)[C@@H](Cn2c(CCl)nc3cc(I)ccc32)C1 694758481 VIMIDJGGNMPXJU-GOSISDBHSA-N 494.808 4.196 50 10 JIGE C[C@H](CBr)[C@@H]1CCCCN1C(=O)c1ccc(F)cc1I 696708299 CSHCEWDBLNTBBG-YGRLFVJLSA-N 454.121 4.456 50 10 JIGE ClCc1nc2cc(I)ccc2n1Cc1cc(Br)no1 718878372 QFWURZHRGMDXLD-UHFFFAOYSA-N 452.477 4.179 50 10 JIGE N#CCCn1cc(/C=C(\C#N)C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c(-c2ccccc2)n1 729416939 AGGNXOTYRDLXGH-HAVVHWLPSA-N 476.540 4.312 50 10 JIGE C[C@H](OC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1)C(=O)N1c2ccccc2C[C@@H]1C 761396457 DSXVDELQOCAPTJ-PTNIKOMKSA-N 479.540 4.280 50 10 JIGE C/C(=C\C(=O)NNC(=O)COc1ccc(Br)cc1)c1ccccc1C(F)(F)F 1587665849 AVGITDLEMSJDLH-ZRDIBKRKSA-N 457.246 4.098 50 10 JIGE CC(=O)c1ccc(Br)c(NC(=O)NNC(=O)CCSc2ccc(F)cc2)c1 1672622197 OGILDDIGWCSREY-UHFFFAOYSA-N 454.321 4.126 50 10 JIGE CCCOc1ccc(/C=N\NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1OCC 1860774140 OCRLGQDRXDUXDO-FKSSYULRSA-N 482.606 4.236 50 10 JIGE C[C@@]1(CCl)CN(c2cc(Br)c(I)c(Br)c2)C1=O 1946527799 DUEJZCFRMHNOQG-LLVKDONJSA-N 493.364 4.408 50 10 JIGE C[C@](CCl)(NC(=O)c1cc(I)ccc1Br)C(F)(F)F 2105092194 QHLVRMNMLQGNOX-SNVBAGLBSA-N 470.454 4.343 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@H]2C[C@H](Cl)C[C@H]1C2 2142291337 KOWHKLJLGJIJBA-INTQDDNPSA-N 454.533 4.286 50 10 JIGE CC(C)(C)OC(=O)N1CC[C@@H](C(F)(F)F)N(CC2(CBr)CCOCC2)CC1 2163061901 IPEKBGDKVBNYCW-AWEZNQCLSA-N 459.347 4.052 50 10 JIGE Cc1sc(CBr)cc1S(=O)(=O)N1CCN(Cc2ccccc2)[C@H](C(C)C)C1 2179819158 IZQZTRKAOOZTJV-IBGZPJMESA-N 471.486 4.483 50 10 JIGE CCCN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)[C@H]1CC[C@@H](CBr)C1 2179825285 FTFLTWCZJKNSEX-CTNGQTDRSA-N 457.478 4.256 50 10 JIGE O=C(N[C@@H]1C[C@H](CBr)[C@@H]2C[C@@H]12)c1ccc(Cl)c(I)c1 2268358359 YZBKZYNHWZUHLR-BSTOTGJRSA-N 454.533 4.094 50 10 JIGE COc1ccc(-n2c(C)cc(C=C(C#N)C(=O)OCC(=O)N(C)Cc3cccs3)c2C)cc1 2297486608 CIGUYJHBBMHCKI-UHFFFAOYSA-N 463.559 4.273 50 10 JIGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 2314753229 NTXDPBBXUPLGGH-UHFFFAOYSA-N 461.430 4.029 50 10 JIGE CCCCOC(=O)c1ccccc1NC(=O)C(C#N)=CN[C@H](C)c1ccc(OC)c(OC)c1 2325306861 DCPQUHFDOSPHDH-QGZVFWFLSA-N 451.523 4.357 50 10 JIGE COc1cc2nc(C(C#N)=Cc3cc(Br)cc(OC)c3OC)nc(O)c2cc1OC 2331042609 RCEBYRRKFHPUEY-UHFFFAOYSA-N 472.295 4.196 50 10 JIGE CC(C)(C)C[C@@H](CCl)CNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364214269 MHYDLGYHYCYTQC-KRWDZBQOSA-N 457.036 4.054 50 10 JIGE Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1/C=N/NC(=O)c1cccc2ccccc12 59166071 OPCJRSWGWCGLCX-ZMOGYAJESA-N 458.434 4.223 50 10 JIGE O=C(Oc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2O)cc1)c1ccc([N+](=O)[O-])cc1 25901195 CTSUYTRUGGROAJ-CVKSISIWSA-N 455.426 4.437 50 10 JIGE CCN1CCC[C@H]([C@H](Br)c2ccc(Cl)cc2I)S1(=O)=O 2365558658 KHICASOTVNHIEB-CHWSQXEVSA-N 492.604 4.195 50 10 JIGE Cc1cccn2c(=O)c(/C=C(/C#N)c3nc4ccccc4s3)c(N3C[C@H](C)O[C@@H](C)C3)nc12 229102733 GETLLNHZFWYCMM-IXEVEIBJSA-N 457.559 4.290 50 10 JIGE COc1ccc(C=NNC(=O)CSc2nc3ccccc3n2C)cc1OCc1ccccc1 254381945 NLNQJPGEHAOSLE-UHFFFAOYSA-N 460.559 4.403 50 10 JIGE CCOc1ccc(C=NNC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)cc1 252641307 ZBPFZPSEDUGRSH-DYBOXTRGSA-N 456.546 4.073 50 10 JIGE O=C(Cc1ccccc1I)NC[C@H]1CCCC[C@H](Br)C1 2163754108 PKXAWCXFWVYXSD-JSGCOSHPSA-N 450.158 4.294 50 10 JIGE O=C(CNc1ccc2ccccc2c1)NNCc1cc(Br)c(O)c(Br)c1O 575416769 DMAPIBFAWCMMSV-UHFFFAOYSA-N 495.171 4.009 50 10 JIGE CCOc1ccc(OCC)c(NC(=S)NNC(=O)c2cccc(OCc3cscn3)c2)c1 727496096 CLNGQJKAHLNLLB-UHFFFAOYSA-N 472.592 4.151 50 10 JIGE C[C@@H](COCC(F)(F)F)NC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1 742409457 DYMWVKFZCFVSON-FSEGOYHTSA-N 465.863 4.108 50 10 JIGE ClCc1cc(Cl)ccc1-n1cnc(I)c1I 390445150 RABWJHFPTSWJDZ-UHFFFAOYSA-N 478.886 4.474 50 10 JIGE COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccccc3Cl)c2)cc(OC)c1OC 1082753717 CTEUCNSPKPLBPI-UHFFFAOYSA-N 467.909 4.382 50 10 JIGE CCOc1ccccc1C=NNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 1084512746 QLGGOQMRKAEBJM-UHFFFAOYSA-N 485.993 4.080 50 10 JIGE CC(C)=C1[C@H]2C=C[C@H]1[C@@H](C(=O)NNC(=O)CCOc1cc(Cl)c(Cl)cc1Cl)[C@@H]2C(=O)O 1088733056 KZWCGSHLCKMHII-LAARNHDHSA-N 487.767 4.032 50 10 JIGE C[C@@H](Sc1ccccc1)C(=O)NN=Cc1ccc(OCC(=O)NCCc2ccccc2)cc1 1084404305 TVHPSPRYWYSZGG-HXUWFJFHSA-N 461.587 4.055 50 10 JIGE Brc1cc(CN2CC=C[C@H](Br)C2)ccc1I 1904344454 VJJOLQAIPYESLX-JTQLQIEISA-N 456.947 4.189 50 10 JIGE O=S(=O)(c1cccc2nsnc12)N(Cc1ccccc1)C1(CBr)CCC1 1915756037 UGRHUPJETOZHNP-UHFFFAOYSA-N 452.399 4.200 50 10 JIGE CC[C@H](Br)CN(CC)c1ncc(I)cc1Br 1988537987 LUPWKQICZRGABB-QMMMGPOBSA-N 461.967 4.449 50 10 JIGE O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)c1cccc(Cl)c1 14005257 WRXPEJPFGNHLBP-UHFFFAOYSA-N 460.770 4.142 50 10 JIGE CCc1ccc(O[C@H](C)C(=O)NNC(=O)COc2ccc3ccccc3c2Br)cc1 14039885 MIBWFVLKEGWNEW-OAHLLOKOSA-N 471.351 4.158 50 10 JIGE CC(C)c1ccc(O[C@H](C)C(=O)NNC(=O)COc2ccc(Cl)cc2Br)cc1 14040282 BPBXHAMLPQZFPV-CYBMUJFWSA-N 469.763 4.220 50 10 JIGE CCCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C\c2ccc(OC)c(OC)c2)c(OC)c1 207087604 AYHDBHSNPVNFND-INBJJMLYSA-N 464.518 4.154 50 10 JIGE COc1ccccc1NC(=O)[C@@H](C)Oc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1 1858686071 ZZGRGBUSROMDNB-CQSZACIVSA-N 452.423 4.015 50 10 JIGE CCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccn2)cc1OC 1865691364 QDARTAUTMLUZGN-FQEVSTJZSA-N 496.365 4.354 50 10 JIGE O=C(c1c(Br)cccc1Br)N1CCC(OCCBr)CC1 2150491751 SQXDNPVREVUZHI-UHFFFAOYSA-N 469.999 4.228 50 10 JIGE C[C@@](CBr)(NC(=O)c1cc(Br)sc1Br)C(F)F 1998355668 HMVWVNZIUTUZIW-VIFPVBQESA-N 455.944 4.422 50 10 JIGE CC(C)(C)OC(=O)N[C@@H](CBr)Cc1cc(Br)c2c(c1)OCCCO2 2008718346 ZLCLLITUVHUGHS-GFCCVEGCSA-N 465.182 4.441 50 10 JIGE C[C@H](CCBr)N(C)C(=O)c1ccc(Br)cc1I 2026217841 NIWPAQWILGSCPA-MRVPVSSYSA-N 474.962 4.299 50 10 JIGE CCN(C[C@@H](C)Br)C(=O)c1ccc(Br)cc1I 2026222371 XQEDCKUJLNUDOE-MRVPVSSYSA-N 474.962 4.299 50 10 JIGE CC(C)(CBr)[C@@H]1CCCN1C(=O)c1ccc(F)cc1I 2155822410 CJIDFJYDWQBOMQ-ZDUSSCGKSA-N 454.121 4.456 50 10 JIGE O=C(c1scc(Br)c1Br)N1CC[C@@H]2[C@@H](CBr)[C@@H]2C1 2032236166 ZKOIEOBSQFNGMG-BWZBUEFSSA-N 458.013 4.376 50 10 JIGE C[C@H]1[C@H](C(F)(F)F)N(CC2(CBr)CCOCC2)CCN1C(=O)OC(C)(C)C 2172609601 NQFWPTXYIGBDNG-UONOGXRCSA-N 459.347 4.050 50 10 JIGE CN(Cc1ccccc1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(CBr)cc2)C1 2179785550 OCYNPPNQDRXYBY-OAQYLSRUSA-N 451.430 4.008 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1[C@H]2CC[C@H]1[C@H](CCl)C2 2100996724 LTEIAXBWJVIUPR-KWBADKCTSA-N 454.533 4.286 50 10 JIGE CCOc1ccc([C@@H](Br)c2nn(C)nc2Br)c(Br)c1 2226987888 WEBPRZSBSZKWBD-SNVBAGLBSA-N 453.960 4.223 50 10 JIGE COCCCCCCOC1(CI)CCN(C(=O)OC(C)(C)C)CC1 2249960893 XNWCBEGSRKDKLS-UHFFFAOYSA-N 455.377 4.415 50 10 JIGE C[C@H]1CCN(C(=O)Cc2cc(Br)cc(Br)c2)C[C@@H]1Br 2277937019 RINQWWHIZSJZRY-ZANVPECISA-N 454.000 4.386 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1C[C@@H]2CC[C@H](Br)[C@H]2C1 2268351375 WOFOMGAYVGEKTQ-DCAQKATOSA-N 454.533 4.190 50 10 JIGE COc1ccc(C=C(C#N)C(=O)NCc2cccnc2)cc1COc1ccc([N+](=O)[O-])c(C)c1 2295672309 MFCVXTCPBFUIIE-UHFFFAOYSA-N 458.474 4.109 50 10 JIGE COc1ccc([C@H](Br)C2C[C@@H](OC)[C@H](OC)C2)cc1I 2285015140 YTCRPMXPOWSJJD-KFWWJZLASA-N 455.130 4.176 50 10 JIGE COc1cc(C=NNC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)ccc1OCc1ccccc1 2328826184 SAOVVFXUSKJSMR-FQEVSTJZSA-N 487.622 4.371 50 10 JIGE C=CC[C@@H](Cl)[C@H]1CCN1C(=O)c1cc(Br)ccc1I 2335802487 CVJOMWHAILHGNO-DGCLKSJQSA-N 454.533 4.452 50 10 JIGE COc1c(Br)cc(C)c([C@H](Br)[C@@H](C)S(C)(=O)=O)c1Br 2339640269 WGSQBPOPSSVUND-GMSGAONNSA-N 479.028 4.398 50 10 JIGE O=C(NC[C@@H](Br)CC(F)(F)F)c1ccc(Cl)cc1I 2340052515 PNKRZDISPXIVKG-LURJTMIESA-N 470.454 4.390 50 10 JIGE Clc1ccc(I)cc1CN1CCC[C@H](OCCBr)C1 2352427176 ZOZMGQVMFSGOTN-ZDUSSCGKSA-N 458.565 4.321 50 10 JIGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccc(Cl)cc4)c(=O)c32)cc1OC 2203503 RPKOQQGGDOJUNE-QFIPXVFZSA-N 463.921 4.094 50 10 JIGE COc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1ccc2c(c1)OCO2 33550207 YCYKMYHCPYSNII-YVLHZVERSA-N 468.469 4.382 50 10 JIGE Cc1cc(Oc2ncnc(NNC(=O)c3cccc([N+](=O)[O-])c3)c2[N+](=O)[O-])cc(C)c1Cl 40658439 RSCBLIZNZSUDAD-UHFFFAOYSA-N 458.818 4.112 50 10 JIGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccccc1CC 40934819 JRYUAJWFORTQKF-KGENOOAVSA-N 474.513 4.448 50 10 JIGE N#CCOc1c(Br)cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc1Br 58889173 RUDDOPCNFOJCDJ-QWUOEIFBSA-N 495.171 4.078 50 10 JIGE O=C(COc1ccccc1I)N/N=C/c1cccn1-c1ccc(Cl)cc1 59302829 XDXNUIHVTGLWEZ-WSDLNYQXSA-N 479.705 4.264 50 10 JIGE O=C(O)[C@@H](C/C(=N\O)c1ccc(Br)cc1)P(=O)(c1ccccc1)c1ccccc1 100555113 SKBZEYHSERXYRB-KWLPWJRRSA-N 472.275 4.485 50 10 JIGE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)NCc2ccco2)c1C 102684394 JFCVEDUONNPRIJ-UYRXBGFRSA-N 454.486 4.228 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2[C@@H]3CC[C@@H]2CC(Cl)C3)cc1Br 155819999 YMTOTERXAMNVOR-GHMZBOCLSA-N 457.615 4.443 50 10 JIGE O=C(N/N=C\c1cc(Cl)c(O)c(Cl)c1)c1cccn(Cc2ccc(Cl)cc2)c1=O 169920322 NGHJQLFWXZOVGX-VROXFSQNSA-N 450.709 4.326 50 10 JIGE O=C(Cn1c2ccccc2c(=O)c2ccccc21)NN=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 254696860 GEWYWBQRGFTSSK-UHFFFAOYSA-N 466.453 4.473 50 10 JIGE CN1C[C@@H](CI)[C@@H](c2cc(Br)cc(Br)c2)C1 382739785 YXFVOMJITYRTDH-BXKDBHETSA-N 458.963 4.292 50 10 JIGE CN(Cc1ccccc1)C1CCN(S(=O)(=O)c2ccc(CCl)cc2Br)CC1 717648597 BRXUNVURAXGKOG-UHFFFAOYSA-N 471.848 4.473 50 10 JIGE CC(=NNC(=O)[C@H](C)Nc1nc2ccccc2s1)c1ccc(O)c(CN2CCCCC2)c1 730583866 PYJKKMNFFZHVDS-KRWDZBQOSA-N 451.596 4.329 50 10 JIGE Cc1cc(/C=C(\C#N)C(=O)Nc2nc(-c3c[nH]c(C(N)=O)c3)cs2)c(C)n1-c1ccc(F)cc1 897836923 ASGXNBWNWZGMBY-LZYBPNLTSA-N 474.521 4.329 50 10 JIGE COc1ccc(C=NNC(=O)/C(=C/C=C/c2ccccc2)NC(=O)c2ccccc2)c(OC)c1 1082988494 IVVYHLCUFVJOMT-GCFBECLXSA-N 455.514 4.181 50 10 JIGE O=C(NN=Cc1cc(Br)c(O)c(I)c1)c1cc2ccccc2o1 1084042886 JTLAUJVXRXPVSE-UHFFFAOYSA-N 485.075 4.269 50 10 JIGE Cc1ccc(S(=O)(=O)Oc2ccccc2C=NNC(=O)CSc2ccccc2C)cc1 1084072826 TXKFOWNGBCPSQG-UHFFFAOYSA-N 454.573 4.314 50 10 JIGE Cn1cc(C(=O)NNC(=O)c2c[nH]c3cc(Br)c(Br)cc23)c2ccccc21 1086964345 VAHDVCCGYUKZJN-UHFFFAOYSA-N 490.155 4.259 50 10 JIGE O=[N+]([O-])c1ccc([C@H]2CN(Cc3ccccc3)C[C@@H]2CI)c([N+](=O)[O-])c1 1614701509 KXHFFFKXQIPRIE-YOEHRIQHSA-N 467.263 4.154 50 10 JIGE COC(=O)c1ccc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2OC)CCC3)cc1 1772746298 UIVIZJSIDJLZFY-UHFFFAOYSA-N 476.485 4.073 50 10 JIGE Cc1sc2ncn(CC(=O)NNC(=O)c3ccc(CSC(C)C)o3)c(=O)c2c1-c1ccccc1 1865851379 AFYHFKBHQBVZIY-UHFFFAOYSA-N 496.614 4.129 50 10 JIGE CC[C@@H](NC(=O)Cc1nc(-c2ccc(OC)cc2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866678197 NEENTAXRXGPXPS-HXUWFJFHSA-N 464.547 4.308 50 10 JIGE O=C(NC[C@H](Br)CBr)c1cc(Br)c(Br)s1 1961822717 KIMSTERQWUFXPT-SCSAIBSYSA-N 484.833 4.161 50 10 JIGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccccc1 2040991894 GQIOBOUTJPPQCQ-QHCPKHFHSA-N 464.525 4.311 50 10 JIGE CC(=C(C#N)P(=NN=Nc1ccccc1)(N1CCOCC1)N1CCOCC1)N1CCCC1 2053623343 SNONBDNAVMNJKT-UHFFFAOYSA-N 457.519 4.232 50 10 JIGE Brc1cc(I)cnc1N1C[C@H]2C[C@H](Br)CC[C@H]2C1 2069529494 QNMIRRSJOAKYNW-IVZWLZJFSA-N 485.989 4.449 50 10 JIGE CC1(C)CC[C@H](CO[C@@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)OC1 2076724057 CQDWAQRYQCZUGK-DNVCBOLYSA-N 467.388 4.413 50 10 JIGE CCn1cc(COc2c(Br)cc(CBr)cc2Br)nn1 2087347715 YMQWJGBBZMPZMC-UHFFFAOYSA-N 453.960 4.297 50 10 JIGE COC1(CBr)CCN(C(=O)c2csc(Br)c2Br)CC1 2093942131 LFCYYFDSGWFXHN-UHFFFAOYSA-N 476.028 4.289 50 10 JIGE C[C@H]1CC[C@H](CBr)N(S(=O)(=O)c2cc(Cl)c(Br)s2)C1 2110613122 RAAMYJVDXZHSDQ-JGVFFNPUSA-N 451.633 4.348 50 10 JIGE Cc1cc(S(=O)(=O)N2CCN(Cc3ccccc3)[C@@H](C(C)C)C2)sc1CBr 2179822570 YFYWGHNFTPHUCR-GOSISDBHSA-N 471.486 4.483 50 10 JIGE Cc1csc(CN(C)S(=O)(=O)CCC(F)(F)CBr)c1Br 2179951351 WKJBJOGBNXCVGT-UHFFFAOYSA-N 455.184 4.001 50 10 JIGE N#CC(C(=O)N1CCOCC1)=C1S[C@@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1 2296506855 ILMRSVSVDJWYSB-IBGZPJMESA-N 488.396 4.278 50 10 JIGE F[C@@H]1CN(Cc2ccc(I)c(Br)c2)C[C@@H]1CBr 2306216862 KMWNJFRICNRLAF-GXSJLCMTSA-N 476.953 4.219 50 10 JIGE CC(C)(CI)CN1CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]1C(F)(F)F 2306819168 REXISPCMGMSHSK-NWDGAFQWSA-N 464.310 4.368 50 10 JIGE COc1ccc(N2C(=O)[C@H](Cc3cccc(C)c3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314593775 SLLJCKQSMDBKRV-QHCPKHFHSA-N 473.554 4.339 50 10 JIGE CCCOc1ccc(C=NNC(=O)COc2ccc(C(=O)NC3CCCCC3)cc2)cc1OCC 2321697713 NDAHHQBMXJCKAE-UHFFFAOYSA-N 481.593 4.466 50 10 JIGE N#CC(=CNCCc1ccc(Br)cc1)C(=O)N1CCC(Cc2ccccc2)CC1 2324765554 YHDCXGRUVGNLIL-UHFFFAOYSA-N 452.396 4.470 50 10 JIGE CCN(CC)CCNC(=O)c1ccc(NC(=O)C(C#N)=Cc2ccc(Br)cc2)cc1 2329662399 MEQGZHSVPHNNLI-UHFFFAOYSA-N 469.383 4.066 50 10 JIGE O=C(N[C@H]1C[C@@H](CBr)[C@H]2C[C@@H]12)c1cc(Br)ccc1I 2329877969 LEUOQXAPKXVTBC-YTDXRRJTSA-N 498.984 4.203 50 10 JIGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)c1cc(Cl)cc(Cl)c1 10505951 ZOBROTQCXCOHTA-QMMMGPOBSA-N 481.188 4.403 50 10 JIGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)COc2c(C)cc(Br)cc2C)cc1 13983378 KVTQWYIKRSHRMB-CQSZACIVSA-N 463.372 4.185 50 10 JIGE CC(C)COc1ccc(C(=O)NNC(=O)COc2cccc3ccccc23)cc1Br 14653051 QPGXIBHTQBXCCY-UHFFFAOYSA-N 471.351 4.477 50 10 JIGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)N/N=C/c1ccc(C)cc1 20806897 RNROGUKMDMCSKO-DHRITJCHSA-N 454.987 4.280 50 10 JIGE CCCOC(=O)c1cc(-c2ccc(/C=C3/C(=O)N(C[C@H](C)O)C(=O)C(C#N)=C3C)o2)ccc1Cl 27571905 RVICBVPJNTUVGZ-BGARDKSCSA-N 482.920 4.140 50 10 JIGE CCOc1cc(/C=N\NC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OC(=O)c1ccccc1 33525872 GQCJGOXYZYGYJY-YUMHPJSZSA-N 478.501 4.094 50 10 JIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4)ccc32)cc(OC)c1OC 38660422 KGTHZIXVXYKRGB-QHCPKHFHSA-N 458.470 4.150 50 10 JIGE Cc1cccc(Nc2ncnc(NNC(=O)c3ccc(Br)cc3)c2[N+](=O)[O-])c1C 40620633 SEGRIZUMWBVKBI-UHFFFAOYSA-N 457.288 4.265 50 10 JIGE CCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccccc2C(C)(C)C)c(OC)c1 40878749 JEHAEXRZQUJTFE-XMHGGMMESA-N 450.535 4.410 50 10 JIGE COc1ccc(O)c([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)c1 382679538 AXHDHLHLMJRRGT-CRAIPNDOSA-N 467.303 4.188 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2CC[C@H](CBr)[C@@H]2C)cc1Br 385642174 KAYGDGXQCGEPCW-VHSXEESVSA-N 490.055 4.314 50 10 JIGE O=C(NC1CCOCC1)[C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725237620 KYNZAKPTDOVAMF-GOSISDBHSA-N 460.905 4.375 50 10 JIGE O=C(NN=Cc1cc2c(cc1Br)OCO2)c1cc2cc(Br)ccc2o1 1084574392 IKUFFYNZBUHJLS-UHFFFAOYSA-N 466.085 4.450 50 10 JIGE COc1ccc(/C=N/NC(=O)CSc2nnc(Nc3ccc(Cl)cc3)s2)cc1OC 1615216958 ORVWTWKIDYQXHU-UFFVCSGVSA-N 463.972 4.195 50 10 JIGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1cc(OC)c(OC)cc1OC)C(C#N)=C(N)O2 1865710540 BJHXIMVPRYJSDV-HSZRJFAPSA-N 478.524 4.267 50 10 JIGE COc1ccc(-c2ccc(C(=O)NNC(=O)CCc3ccccc3Br)c(C)n2)cc1 1865757025 JWEYEXYCUJXWOC-UHFFFAOYSA-N 468.351 4.222 50 10 JIGE CC(C)CSc1ccc(C(=O)NNC(=O)c2ccccc2I)cc1 1865758191 NPQORHXZCJNUAT-UHFFFAOYSA-N 454.333 4.114 50 10 JIGE CC[C@@](C)(NC(=O)[C@@H]1CCCN1Cc1ccccc1F)C(=O)Nc1ccc(SC#N)cc1 1866919289 LOZUNUWMEAFGIO-XUZZJYLKSA-N 454.571 4.287 50 10 JIGE O=S(=O)(N[C@@H](CCBr)C(F)(F)F)c1ccc(Cl)c(Br)c1 1918520812 HKICQKBLWXLKQQ-VIFPVBQESA-N 459.509 4.097 50 10 JIGE CCN(CCCCBr)c1ncc(I)cc1Br 1988537728 HWERBQMUGPVTKC-UHFFFAOYSA-N 461.967 4.450 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CCC(Br)CC1 2026216353 FLBUAQZTNINMMZ-UHFFFAOYSA-N 472.946 4.053 50 10 JIGE O=C(Nc1ccc(Br)c(I)c1)N1CCC(Br)CC1 2043823407 GWJVEDYIGKWPTD-UHFFFAOYSA-N 487.961 4.445 50 10 JIGE Cc1cc(-n2nc(CBr)c(I)c2C(F)(F)F)cnc1C 2078933396 PFTZINRGNSHHBK-UHFFFAOYSA-N 460.035 4.402 50 10 JIGE Clc1ccc(I)c(CN2CC3(C2)OCCC[C@@H]3Br)c1 2103411334 LOONQAVESUJSSF-ZDUSSCGKSA-N 456.549 4.073 50 10 JIGE O=C(NCC[C@@H]1CCCC[C@H]1Br)c1cc(I)ccc1O 2179634459 GTXNEYMNWKJKDD-GXFFZTMASA-N 452.130 4.070 50 10 JIGE Cc1cc(CBr)ccc1S(=O)(=O)N1CCC(N(C)Cc2ccccc2)CC1 2179784922 FWLQDWQPYJMUKL-UHFFFAOYSA-N 451.430 4.175 50 10 JIGE CC1(C)[C@@H](NS(=O)(=O)c2cc(Br)ccc2Br)CC[C@H]1Br 2207103590 XNMJJPXDXGSCRD-NEPJUHHUSA-N 490.055 4.442 50 10 JIGE O=[N+]([O-])c1sc(CBr)cc1OCCOCCOCCOCc1ccccc1 2236082792 PNRHKMSOQLXRGM-UHFFFAOYSA-N 460.346 4.180 50 10 JIGE O=C(c1scc(Br)c1Br)N1C[C@@H]2CC[C@@H](CBr)O[C@@H]2C1 2289335339 XXNQBBGWDXDBDT-OYNCUSHFSA-N 488.039 4.288 50 10 JIGE Cc1cc(S(=O)(=O)N[C@@H](CCBr)COCc2ccccc2)sc1Br 2303550775 OPGUROCMERPPEK-AWEZNQCLSA-N 497.274 4.468 50 10 JIGE C[P@]1(=O)C[C@@H](Cl)[C@@H](NCc2ccc(I)c(Br)c2)C1 2325209899 SMHGAVDLWCEMHP-MYFIVHGGSA-N 462.493 4.126 50 10 JIGE Clc1ccc(CN2C[C@@H](CBr)OCC23CC3)cc1I 2337219125 PTOSQCNZOUWIGG-LLVKDONJSA-N 456.549 4.073 50 10 JIGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=S)NC(=O)c2cccc(OCCC(C)C)c2)c1 14644937 HWAGCCCPQUVADU-UHFFFAOYSA-N 471.623 4.258 50 10 JIGE CC(C)C(=O)Nc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2C(C)(C)C)cc1 14668258 GZFWXWSBOMIOHH-UHFFFAOYSA-N 490.398 4.181 50 10 JIGE CCOC(=O)/C(C#N)=C/c1ccc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 22242957 AIPZEPIAPRRHSP-QGOAFFKASA-N 472.467 4.426 50 10 JIGE COc1ccc(/C=N\NC(=O)c2[nH]c3ccc([N+](=O)[O-])cc3c2-c2ccccc2)c(C(=O)O)c1OC 27475114 GBLMDNFRNRLYSS-ZMFRSBBQSA-N 488.456 4.222 50 10 JIGE C[C@H](C(=O)N/N=C/c1ccccc1OCc1ccc(Br)cc1)n1nnc2ccccc21 27569741 GVCWSPNJXDYXIY-FRQJIFLKSA-N 478.350 4.484 50 10 JIGE Cc1ccc(C(C)C)c(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)NC[C@H]2CCCO2)c1 35549782 IDCOLYWKVOFLLK-GRTQGXPSSA-N 472.545 4.121 50 10 JIGE CCC[C@H](C)c1nc(N2CCCN(C(=O)[C@@H](C)Cl)CC2)c2cnn(-c3ccccc3)c2n1 35925954 XWFNFLFABMIALV-ZWKOTPCHSA-N 455.006 4.385 50 10 JIGE Cc1[nH]n(-c2ccccc2)c(=O)c1/C(=N\NC(=O)c1cc(-c2ccccc2)n[nH]1)c1ccccc1 57884346 ZTCSYBAEDQWZON-JVCXMKTPSA-N 462.513 4.047 50 10 JIGE CN(Cc1csc(Br)c1)S(=O)(=O)c1cc(CCl)oc1Br 91271112 FAEGXHIBMKRHQF-UHFFFAOYSA-N 463.600 4.426 50 10 JIGE Cc1cc(C)cc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)NCc2ccccc2)c1 102683686 MRZSTSVBXQOGSF-QNGOZBTKSA-N 450.498 4.327 50 10 JIGE CC(C)[C@@H](C(=O)NNC(=O)c1ccc(COc2ccccc2)o1)n1cnc2cc(F)c(F)cc21 109494488 IZPURTOMVYUXLG-QFIPXVFZSA-N 468.460 4.145 50 10 JIGE CC(C)(CCBr)NS(=O)(=O)c1cc(Br)ccc1Br 142757030 JXFIQGVKCZBIBW-UHFFFAOYSA-N 464.017 4.054 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)NC[C@H]2CCC[C@H]2CCl)cc1Br 155823280 OXGUGLZPYCHAQQ-WDEREUQCSA-N 459.631 4.453 50 10 JIGE COc1ccccc1C=NNC(=O)c1ccc(CN2c3cccc4cccc(c34)S2(=O)=O)cc1 254789871 BQAMIONKOROTFH-UHFFFAOYSA-N 471.538 4.321 50 10 JIGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@@H](c2ccc([N+](=O)[O-])cc2F)C1 725432731 HPAFMZWOIIWTOO-MFKMUULPSA-N 450.248 4.119 50 10 JIGE CCc1ccccc1NC(=O)COC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1 761414068 CSKUMFJUGDNJTJ-RCCKNPSSSA-N 453.502 4.115 50 10 JIGE O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1 799481807 JNWUYERYSRMXGR-OAQYLSRUSA-N 499.951 4.322 50 10 JIGE Nn1c(SCCCC(=O)NN=C/C=C\c2ccccc2)nnc1-c1ccccc1Br 1084364627 UKUANUAMXGNYGU-QLPZYULUSA-N 485.411 4.109 50 10 JIGE CC(=O)Nc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N3CCN(c4ccccc4)CC3)c2C)cc1 1084371143 IYVMOKOGYYVYRD-HKOYGPOVSA-N 467.573 4.308 50 10 JIGE C#CCN(CC(=O)OC(C)(C)C)C(=O)/C(C#N)=C\c1cc(C)n(-c2cccc(Cl)c2)c1C 1632228760 RZHXWZBZDSIUQY-MOSHPQCFSA-N 451.954 4.458 50 10 JIGE O=C(CCCC[C@H]1CCSS1)N1CCN(C(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)CC1 1860191905 VTPYMWZCFFEEMP-PXNSSMCTSA-N 496.098 4.078 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2F)[C@H]1c1ccc([N+](=O)[O-])cc1 1865712914 LPAXHKWPOKYFCH-INIZCTEOSA-N 459.359 4.216 50 10 JIGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OC)c(OC)c2)sc(C(=O)OC(C)C)c1C 1866130400 SKFAPRHHKAUVRK-MHWRWJLKSA-N 486.546 4.361 50 10 JIGE COCCOc1ccc(/C=C(\C#N)C(=O)Nc2nc(C)c(C(=O)Nc3ccccc3)s2)cc1 1866215237 JHOLVYRPYCKGCQ-NBVRZTHBSA-N 462.531 4.275 50 10 JIGE Cc1nc(C)c(CC(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)s1 1866571247 VWVDFYQMEWPCBG-HXUWFJFHSA-N 450.589 4.242 50 10 JIGE CC1(CBr)CCN(c2ncc(I)cc2Br)CC1 2015759012 PJMDEJLWNRJMJQ-UHFFFAOYSA-N 473.978 4.450 50 10 JIGE C[C@H]1CN(c2ncc(I)cc2Br)C[C@]1(C)CBr 2015763355 XFDUJFQNWBMKCC-UFBFGSQYSA-N 473.978 4.306 50 10 JIGE C[C@@](CBr)(NC(=O)c1ccc(Br)cc1I)C1CC1 2086144470 ACWGWJHCUVSUDS-ZDUSSCGKSA-N 486.973 4.347 50 10 JIGE C[C@H]1CC[C@H](Br)CN1C(=O)c1ccc(Br)cc1I 2086151563 PMBSBNXZBWQBDP-WPRPVWTQSA-N 486.973 4.442 50 10 JIGE Cn1nc([C@@H](Br)c2cc(I)cc3c2OCC3)cc1Cl 2097575530 YBLZDBHHCMIQFX-LBPRGKRZSA-N 453.505 4.097 50 10 JIGE CCN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1cc(CBr)cs1 2123236232 GEGTVWVTFUHCJL-UHFFFAOYSA-N 457.459 4.318 50 10 JIGE Cc1c(CBr)cc(Cl)cc1S(=O)(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 2179862391 VWMHZNLRTHUHDN-IBGZPJMESA-N 471.848 4.438 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CC[C@@H](C(F)(F)CCl)C1 2197770182 GBBVBEDAVPOKFD-SECBINFHSA-N 478.502 4.390 50 10 JIGE CN(C[C@H]1C[C@H](Br)C1)[C@H](CN)c1sc(Cl)cc1I 2318475461 YOIMIWPBDDSSRE-NQMVMOMDSA-N 463.610 4.111 50 10 JIGE CCCCOC(=O)c1ccccc1NC(=O)C(C#N)=CN1CCN(c2cccc(Cl)c2)CC1 2325309906 ZPOVUBGNFVCHFR-UHFFFAOYSA-N 466.969 4.465 50 10 JIGE COc1ccccc1-c1csc(C(C#N)=C(O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)n1 2331281799 SPLXHJDEYQIGGX-UHFFFAOYSA-N 481.530 4.067 50 10 JIGE C[C@@H]1CN(C(=O)c2ccc(Cl)cc2I)C[C@@H](C)C1Br 2340056867 HAVLQJBSMYJTFG-RKDXNWHRSA-N 456.549 4.436 50 10 JIGE ClC[C@@H]1CC[C@H]2CN(Cc3ccc(I)c(Br)c3)C[C@H]2O1 2377352254 JWGZLBHRWWKPSB-SLEUVZQESA-N 470.576 4.272 50 10 JIGE Cc1ccccc1OCC(=O)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 12492047 VOSMVDFZMGWUQV-UHFFFAOYSA-N 459.546 4.385 50 10 JIGE CC(C)(C)c1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2Cl)cc1Br 13977054 LJMWGKSUOJCJNT-UHFFFAOYSA-N 468.804 4.349 50 10 JIGE C/C(NNC(=O)c1ccccc1Br)=C1\C(=O)N(c2ccccc2)N=C1c1ccccc1 20288037 KBZISFTYPUZJMO-LTGZKZEYSA-N 475.346 4.409 50 10 JIGE Cc1c(C(=O)N2CCOCC2)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 40815506 ZJYFUEUFMJXSMZ-QUPMIFSKSA-N 471.557 4.049 50 10 JIGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccc(-c3ccccc3)cc2)c(OC)c1 40884628 WGNNGUBABFFASK-XQNSMLJCSA-N 456.498 4.251 50 10 JIGE CC(C)C(=O)NNC(=O)[C@H](C)Sc1n[nH]c(N/N=C/c2ccc3ccc4cccc5ccc2c3c45)n1 59879732 YBRDNQNSBJSSRE-OWAQKBPCSA-N 499.600 4.432 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)NC[C@H]2CCC[C@@H]2Br)cc1Br 136553813 QQTGPFWIFRSMRX-ZJUUUORDSA-N 490.055 4.362 50 10 JIGE O=C(COc1ccc2ccccc2c1)NN=Cc1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1 252599392 DIGVYNUDFWWRCV-UHFFFAOYSA-N 469.453 4.496 50 10 JIGE CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=C/C=C\c2ccccc2[N+](=O)[O-])cc1 254739579 NVCOIDATNUUVPI-KRSANYIZSA-N 483.528 4.247 50 10 JIGE CCOC(=O)[C@@H]1CCCN(C(=O)c2cccc(NC(=O)Nc3ccc(SC#N)cc3)c2)C1 586717934 PYEYZOVJNKLHFH-QGZVFWFLSA-N 452.536 4.319 50 10 JIGE CC(=NNC(=O)CCCSc1nnc(-c2cccc([N+](=O)[O-])c2)n1N)c1ccc2ccccc2c1 1084167751 KQSLQNLPNOZMNJ-UHFFFAOYSA-N 489.561 4.133 50 10 JIGE Cc1ccc(C(=O)N[C@H](CC(=O)NNC(=O)c2ccc(Br)cc2)c2ccccc2)cc1 1115998169 RKCBQQHKJCQJLN-OAQYLSRUSA-N 480.362 4.080 50 10 JIGE C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)NNC(=O)Nc1c(Cl)cc(Cl)cc1Cl 1155427360 JKPIODFYDSWTGW-JTQLQIEISA-N 453.713 4.315 50 10 JIGE O=C(CCCC[C@H]1CCSS1)N1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)CC1 1860191906 VTPYMWZCFFEEMP-XLIONFOSSA-N 496.098 4.078 50 10 JIGE CCc1ccc(-c2ccc(C(=O)NNC(=O)c3ccc4c(c3)C(=O)N([C@H](C)CC)C4=O)c(C)n2)cc1 1865758722 OBPSJBPBVYUZJJ-MRXNPFEDSA-N 484.556 4.089 50 10 JIGE Cc1ccc(-c2csc3ncn(CC(=O)NNC(=O)c4ccc(CSC(C)C)o4)c(=O)c23)cc1 1865845116 JLYRLWPXWRXQBB-UHFFFAOYSA-N 496.614 4.129 50 10 JIGE N#CSc1ccc(NC(=O)[C@H](CO)NC(=O)c2ccc(-c3cc4ccccc4[nH]3)cc2)cc1 1867062476 DUVYQPXSUHKKQN-QHCPKHFHSA-N 456.527 4.137 50 10 JIGE Brc1cc(I)cnc1N1C[C@@H](Br)CC12CCC2 2015767410 ROARJTZMBQHXKM-QMMMGPOBSA-N 471.962 4.345 50 10 JIGE COC[C@](C)(CCBr)NC(=O)c1cc(Br)sc1Br 2040242675 BGCFNAVAGOVFEE-NSHDSACASA-N 464.017 4.193 50 10 JIGE COCCN(Cc1ccccc1)S(=O)(=O)c1cc(F)c(Cl)c(CBr)c1 2059315316 YHKPUNOQHAQNAY-UHFFFAOYSA-N 450.757 4.211 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1C[C@@H](Br)C2(CCC2)C1 2108695834 WZOIXTDHUQOFQT-GFCCVEGCSA-N 454.533 4.334 50 10 JIGE C=C(Br)CN(C)S(=O)(=O)c1cc(Br)cc(CBr)c1F 2123252829 UZYOHZSUPDYWKU-UHFFFAOYSA-N 479.991 4.012 50 10 JIGE CC[C@@H]1CN(S(=O)(=O)c2ccc(CCl)cc2Br)CCN1Cc1ccccc1 2152172275 FDXQGRNRNXWNAZ-GOSISDBHSA-N 471.848 4.473 50 10 JIGE O=C(c1ccc(F)cc1I)N1C[C@H]2CCC[C@@]2(CBr)C1 2159408690 MWJJWYYAWPBHEP-MEBBXXQBSA-N 452.105 4.068 50 10 JIGE O=C(c1cc(I)ccc1F)N1C[C@H]2[C@@H](Br)CCC[C@H]2C1 2169666208 SLKKITHEPLEJOG-BIMULSAOSA-N 452.105 4.066 50 10 JIGE CN(C[C@H]1C[C@@H](Br)C1)C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@]1(C)C(F)(F)F 2196914183 KVYYTASAOHQLQH-LKQDWFRTSA-N 457.331 4.054 50 10 JIGE Cc1c(Br)cc(CBr)cc1S(=O)(=O)N(C)C[C@H]1C[C@H]1Br 2196936163 QEMMCOVRWYYOPY-ZYHUDNBSSA-N 490.055 4.056 50 10 JIGE O=C(NC[C@]12CCC[C@]1(CBr)C2)c1cccc(F)c1I 2208047395 YONDNRFHJOTIFD-HUUCEWRRSA-N 452.105 4.115 50 10 JIGE O=C(C1CC1)[C@@H](Br)Cc1ccc(Br)cc1I 2212575220 XGMQCWPANMLYDL-JTQLQIEISA-N 457.931 4.339 50 10 JIGE COc1cc(NC(=O)OCc2ccccc2)c(C(=O)O)cc1OC[C@@H]1C[C@@H]1Br 2256378233 AIUXAPGKXGLPOP-ZFWWWQNUSA-N 450.285 4.304 50 10 JIGE CS(=O)(=O)[C@H]1C[C@H]([C@@H](Br)c2cc(Br)ccc2Br)C1 2257532763 BKNSHVRVQQCZNJ-JWKOBGCHSA-N 461.013 4.471 50 10 JIGE Cc1ccccc1Oc1nc2ccccn2c(=O)c1C=C(C#N)C(=O)NCCc1ccccc1 2296718511 OHALXGWIQWVVCT-UHFFFAOYSA-N 450.498 4.061 50 10 JIGE C[C@@H](NC(=O)C(C#N)=CNC1CCN(C(=O)OC(C)(C)C)CC1)c1ccc2c(c1)CCCC2 2325119226 FQQGGHOLANGUCQ-GOSISDBHSA-N 452.599 4.139 50 10 JIGE C[C@H](CBr)CC1CN(C(=O)c2ccc(Cl)cc2I)C1 2340061431 NWMGYGVQEQHJFX-VIFPVBQESA-N 456.549 4.438 50 10 JIGE O=C(N[C@@H]1C[C@H](CBr)[C@H]2C[C@@H]21)c1ccc(Cl)cc1I 2340063587 ABRGJKANDVPRLY-DRYIUFOISA-N 454.533 4.094 50 10 JIGE COc1cc(/C=N/NC(=O)c2ccccc2N)c(Br)cc1OCc1ccccc1 2776438 OYYOLYLRPBIUHE-DHRITJCHSA-N 454.324 4.383 50 10 JIGE C/C(=N\NC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(C)cc1 8386176 OBWHHWHEYSEIPZ-WBTXMKEXSA-N 490.585 4.475 50 10 JIGE Cc1cc(Cl)ccc1OCC(=O)NNC(=O)COc1ccc(Br)cc1C(C)C 9231598 TUBAFGKSUPLKIP-UHFFFAOYSA-N 469.763 4.140 50 10 JIGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c1 12573788 ISYJNBIOVJKZNC-UHFFFAOYSA-N 488.613 4.494 50 10 JIGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)/C=C/c3ccccc3Cl)cc2)c1 13981381 PENUSBYGHOCIHH-SDNWHVSQSA-N 492.988 4.250 50 10 JIGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1 14031885 SKADIBMMVCKLHB-KRWDZBQOSA-N 465.575 4.122 50 10 JIGE N#C/C(=C/c1c(Oc2ccc(Cl)cc2)nc2ccccn2c1=O)C(=O)NCc1ccccc1 33778623 XFZHMQSQSPMGRA-JXAWBTAJSA-N 456.889 4.364 50 10 JIGE ClCc1nc2cc(I)ccc2n1C[C@H]1CN(Cc2ccccc2)CCO1 311698197 QZNOLWZQDFWGEO-QGZVFWFLSA-N 481.765 4.281 50 10 JIGE CC[C@@H](CBr)N(C)S(=O)(=O)c1cc(Br)c(C)cc1Br 379011467 MTEPGCRAOXSFDH-VIFPVBQESA-N 478.044 4.314 50 10 JIGE COc1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)c(O)c1 382699301 WPDZPALVLITKMC-CRAIPNDOSA-N 467.303 4.188 50 10 JIGE O=C(N[C@H](CBr)CC(F)(F)F)c1ccc(I)c(Cl)c1 717758765 JIGGLONGNQXTLI-ZETCQYMHSA-N 470.454 4.390 50 10 JIGE O=C(N[C@@H]1CCC[C@@H]1CBr)c1ccc(I)c(Br)c1 721613948 NIIFRKYUVYGFHI-BXKDBHETSA-N 486.973 4.347 50 10 JIGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc(C(=O)O)cc3)cc2)cc1 1083944799 HDEXYYNIGBWEGR-VWLOTQADSA-N 476.529 4.326 50 10 JIGE Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1C=NNC(=O)[C@@H](C)SCc1ccccc1 1084097667 WURLDLGEVZGSOP-MRXNPFEDSA-N 482.522 4.078 50 10 JIGE O=C1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)c2ccccc2N1C/C=C/c1ccccc1 1084199367 FNNSUTUBRWUBKJ-QGUQXVSSSA-N 473.348 4.400 50 10 JIGE C=CCC[C@@H](NC(=O)NNC(=O)Cc1nc2ccccc2n1C)c1ccc(C(F)(F)F)cc1 1224642861 QKGFVTOAMPQJSB-QGZVFWFLSA-N 459.472 4.173 50 10 JIGE C=CCn1c(SCC(=O)C(C#N)=C2N(C)c3ccccc3N2C)nnc1-c1ccccc1C 1559380997 AOUPGLMJNMNSQK-UHFFFAOYSA-N 456.575 4.422 50 10 JIGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@H](c2cccn2C)C(C#N)=C(N)O3)cc1 1865699321 QLFCVBWILNGWQQ-QFIPXVFZSA-N 455.493 4.303 50 10 JIGE COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Br)cc2)cc1OC 1865711014 OAHWSEKXOODQDH-NRFANRHFSA-N 497.349 4.187 50 10 JIGE CCOc1cc(CBr)c(I)cc1I 2060222199 KYHIYTPLMLGDHS-UHFFFAOYSA-N 466.882 4.189 50 10 JIGE FC(F)Oc1cc(I)c(I)cc1CBr 2060289941 JWHUPKSUDIZQPI-UHFFFAOYSA-N 488.835 4.392 50 10 JIGE CCN1CC[C@@H]([C@@H](Br)c2c(Br)cccc2Br)S1(=O)=O 2094099402 VGAZTHMATVHCAL-CMPLNLGQSA-N 476.028 4.072 50 10 JIGE O=C(c1scc(Br)c1Br)N1CC[C@@]2(C[C@@H](Br)CO2)C1 2137145771 TULVHSOMPTYFEC-JMCQJSRRSA-N 474.012 4.042 50 10 JIGE O=C(c1ccc(Br)cc1I)N1[C@H]2CC[C@@H]1C[C@H](Cl)C2 2142281697 SZWOWJXWGMJEEZ-JGPRNRPPSA-N 454.533 4.428 50 10 JIGE C[C@H]1CN(C(=O)c2cccc(F)c2I)CC[C@@H]1CCBr 2172462509 FBTDXMSDDICUKA-QWRGUYRKSA-N 454.121 4.314 50 10 JIGE O=S1(=O)C[C@H]2C([C@@H](Br)c3scc(C(F)(F)F)c3Br)[C@@H]2C1 2174597403 OZIZMUDLQJWYFB-UDJQAZALSA-N 454.127 4.256 50 10 JIGE O=C(c1ccccc1I)N1C[C@@]2(CBr)CCC[C@]2(F)C1 2176630074 KGRBKERWCSLWSN-GJZGRUSLSA-N 452.105 4.021 50 10 JIGE C[C@H](Br)C[C@H]1COCCN1C(=O)c1cc(Br)cc(Br)c1 2185319804 SJICRXPBWNVCRT-ZANVPECISA-N 469.999 4.226 50 10 JIGE CC[C@H]1CN(S(=O)(=O)c2cc(Br)ccc2Br)C[C@@H]1CBr 2205682596 KJIUREREZVRWAZ-UWVGGRQHSA-N 490.055 4.253 50 10 JIGE Cc1cc(C(=O)N2CCC(C)(C)[C@H](CBr)C2)ccc1I 2207096099 JDYUJWIYCHBECN-CYBMUJFWSA-N 450.158 4.483 50 10 JIGE O=C(NC[C@@H]1CC[C@H](CBr)CO1)c1scc(Br)c1Br 2264721932 SJZORFJOIWPCKI-SFYZADRCSA-N 476.028 4.193 50 10 JIGE COc1cc(C[C@@H](Br)c2ccc(Cl)c(I)c2)ncn1 2268269667 GCLGRLURAWEJED-SNVBAGLBSA-N 453.505 4.422 50 10 JIGE CCCOc1c(Br)cc(C=C(C#N)C(=O)NCc2ccc3c(c2)OCO3)cc1OC 2295672440 YXHGRENFYHQFKB-UHFFFAOYSA-N 473.323 4.199 50 10 JIGE COC(=O)C(C#N)=Cc1c(N(Cc2ccccc2)Cc2ccccc2)nc2c(C)cccn2c1=O 2296849805 YAWVSQDEZDHIAQ-UHFFFAOYSA-N 464.525 4.290 50 10 JIGE COc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)NC2CCCCC2)cc1 2297455662 QLANKUQVYBTRNZ-UHFFFAOYSA-N 458.518 4.160 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CC[C@@H](Br)[C@H]2CC[C@H]21 2331941004 QJRBIXIBKDKVEN-OASPWFOLSA-N 498.984 4.442 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@H]2CC[C@H]1[C@@H](Cl)C2 2349951735 APDYBSZTWZWUOU-QWRKXWFKSA-N 454.533 4.286 50 10 JIGE COC(=O)c1cccc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c1 10292877 SQKORHPIVBRNLG-UHFFFAOYSA-N 473.529 4.098 50 10 JIGE CCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc([C@@H](C)CC)cc2)cc1 14029801 ICYDLIOOJWVBKJ-SFHVURJKSA-N 471.623 4.484 50 10 JIGE N#CC1=C(N)OC2=C([C@H]1c1cccnc1)S(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccccc12 20132091 IRNNKXJNOIFNIG-NRFANRHFSA-N 476.945 4.261 50 10 JIGE CCCCCN1C(=O)/C(=N/NC(=O)COc2ccccc2Br)c2cc(C)ccc21 33959323 QEEDKPVVXLEXST-NJNXFGOHSA-N 458.356 4.194 50 10 JIGE CCc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc1 59372689 BIXARRMWGAROPO-PCLIKHOPSA-N 455.967 4.248 50 10 JIGE CCOc1ccc(NC(=O)C(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 254708771 WEWDGRXVTRGLMY-UHFFFAOYSA-N 471.492 4.166 50 10 JIGE CO[C@H]1[C@@H](Oc2c(I)cc(Cl)cc2I)C[C@H]1Cl 310426982 QCFBPWDZNPQJHH-WHFVKQHSSA-N 498.913 4.323 50 10 JIGE COc1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)c(N)c1 394501515 BGUBMKQGUROOCZ-YJBOKZPZSA-N 466.319 4.065 50 10 JIGE COC[C@@](C)(CBr)N(C)C(=O)c1scc(Br)c1Br 689296780 BIIGNASFMGKBEN-LLVKDONJSA-N 464.017 4.145 50 10 JIGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CCCC[C@H](CBr)C1 696735541 JZRABJZSAWJWLS-MRVPVSSYSA-N 451.633 4.350 50 10 JIGE Cc1cc(/C=C(/C#N)C(=O)OCC(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)c(C)n1-c1ccc(F)cc1 728088213 FAGYVTQMWHBHBW-BCUAHEQISA-N 487.487 4.286 50 10 JIGE N#CCCn1cc(/C=C(/C#N)C(=O)OC[C@H]2CSc3ccccc3O2)c(-c2ccccc2)n1 749080439 FUQLYDHDYXHGCB-FNGUVFISSA-N 456.527 4.467 50 10 JIGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)COc1c(Br)cc(C#N)cc1OCC 915140384 FKWCYAFLCMQIQL-UHFFFAOYSA-N 461.268 4.341 50 10 JIGE C#Cc1cccc(NC(=S)NNC(=O)c2ccccc2SCc2cn3ccccc3n2)c1 1594436500 DCUPITRQLZUJSD-UHFFFAOYSA-N 457.584 4.239 50 10 JIGE CCC(=O)c1ccc2c(c1)N(Oc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1)C(=O)[C@H](C)O2 1858695841 YJMXEYYPPVPOIO-AWEZNQCLSA-N 492.444 4.301 50 10 JIGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@H](c2ccncc2)C(C#N)=C(N)O3)cc1 1865702576 XCKSLWPJKRKURY-JOCHJYFZSA-N 451.486 4.170 50 10 JIGE O=C(N[C@H](CBr)C(F)(F)F)c1cc(Br)cc(Br)c1 2029992663 GXCXPKFMMFQNDZ-MRVPVSSYSA-N 453.878 4.267 50 10 JIGE O=C(CBr)c1cc(I)c(OC(F)(F)F)c(OC(F)F)c1 2060372965 UJTPHLKTUINIBK-UHFFFAOYSA-N 474.945 4.369 50 10 JIGE CN(Cc1ccccc1)[C@H]1CCCN(S(=O)(=O)c2cc(CCl)oc2Br)C1 2112848669 FVULUCUXHDHTAI-HNNXBMFYSA-N 461.809 4.066 50 10 JIGE Cc1csc(CBr)c1S(=O)(=O)N(C)Cc1nccn1Cc1ccccc1 2123232294 OXHHWMGAOHDSPX-UHFFFAOYSA-N 454.415 4.017 50 10 JIGE C[C@@]1(NS(=O)(=O)c2cc(Br)ccc2Br)CCC[C@H]1Br 2126317350 FPEPWELBNKQIMQ-VXGBXAGGSA-N 476.028 4.196 50 10 JIGE O=C(c1c(Br)cccc1Br)N1C[C@H]2C[C@H](Br)C[C@H]2C1 2128654373 GCELCPYJDPKQIY-MYJAWHEDSA-N 451.984 4.457 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1CC2(CC(CBr)C2)C1 2129953903 BAPSEJHXENPSIK-UHFFFAOYSA-N 454.533 4.192 50 10 JIGE Clc1ccc(I)c(CN2CC[C@@H](OCCCBr)C2)c1 2142058166 VWIMWYHZHNMDII-CYBMUJFWSA-N 458.565 4.321 50 10 JIGE CC1(C)C[C@H](CBr)N(S(=O)(=O)c2cc(Br)ccc2Br)C1 2151106877 QQJLUEGLXPTSMX-SNVBAGLBSA-N 490.055 4.396 50 10 JIGE CC1(C)CO[C@@H](CO[C@@H](CI)c2ccccc2Br)CO1 2179852048 QZDBEYNSTDRYOX-FZMZJTMJSA-N 455.130 4.136 50 10 JIGE C[C@H](Br)C[C@@H]1COCCN1C(=O)c1ccc(Br)cc1Br 2185320121 VEWQXWSNMKFOEM-GXSJLCMTSA-N 469.999 4.226 50 10 JIGE Cc1c(Br)cc(CBr)cc1S(=O)(=O)N(C)CC1(Br)CC1 2196938124 NLHYNEDQPOAEIN-UHFFFAOYSA-N 490.055 4.200 50 10 JIGE CSCC1(NC(=O)OC(C)(C)C)CC(NCCSSCCNC(=O)OC(C)(C)C)C1 2212411817 JPRYTJFOTRNBBK-UHFFFAOYSA-N 481.750 4.271 50 10 JIGE Cc1csc(CBr)c1S(=O)(=O)N1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 2234714837 ICEPXDSYOQLSQA-HDICACEKSA-N 469.470 4.379 50 10 JIGE COc1cc(C=C2C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)cc(OC)c1OC 2314621099 YYAYQXLSTXLNET-UHFFFAOYSA-N 452.894 4.158 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1CC[C@@H]2[C@H](CBr)[C@@H]2C1 2340060607 DZQRDRITVZCADN-ADEWGFFLSA-N 454.533 4.048 50 10 JIGE CC(C)(C)c1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 13982258 WVEUZDDJQZFZKS-UHFFFAOYSA-N 474.586 4.186 50 10 JIGE C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)N/N=C/c1c(C)nn(C(C)C)c1C 20805155 RKZABYVIUSKZNY-LGJNPRDNSA-N 480.642 4.021 50 10 JIGE Cc1c(NC(=O)NC(=O)c2c(F)cccc2F)ccc(S(=O)(=O)C(F)(F)[C@H](F)Cl)c1C 31500297 RVCSBNAOWPJLGO-INIZCTEOSA-N 484.830 4.444 50 10 JIGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)NCc2ccco2)c(C)c1 33923675 IRBKRNVRRXLGPM-UYRXBGFRSA-N 454.486 4.228 50 10 JIGE CC(=O)OCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(C)c(F)c2)C1=O 38608835 MLJVMZUCDYRNAE-YDZHTSKRSA-N 498.514 4.142 50 10 JIGE Cc1c(C(=O)Nc2cccc([N+](=O)[O-])c2)oc2c1/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 40814616 ZKAUPTBATVJQLT-LGUFXXKBSA-N 491.460 4.056 50 10 JIGE COC(=O)/C(C#N)=C/c1cccc(OC(=O)/C=C/c2cc(Br)c(OC)c(OC)c2)c1 40944667 NCYXDEGLWDJRKY-BVQNTDGTSA-N 472.291 4.165 50 10 JIGE C[C@@H](SCc1ccccc1)C(=O)N/N=C1\C(=O)N(CCOc2ccccc2)c2ccccc21 59146979 KCMMZFQGCXVYKD-FCSFWHPOSA-N 459.571 4.254 50 10 JIGE COc1ccc(-c2nn(Cc3ccccc3)cc2/C=C(/C#N)C(=O)NCc2cccnc2)cc1OC 96438424 OTHNCNATAWBVKW-QRVIBDJDSA-N 479.540 4.234 50 10 JIGE N#C/C(=C/Nc1ccc2nc[nH]c2c1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216502322 VULCJUSMNURDQW-NMWGTECJSA-N 462.557 4.316 50 10 JIGE COc1ccc(OC)c(N/C=C(/C#N)C(=O)Nc2ccc(I)cc2C)c1 217253851 CMEPGSKTPRPMMJ-QBFSEMIESA-N 463.275 4.075 50 10 JIGE O=C(NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)/C(=C\c1ccccc1O)NC(=O)c1ccccc1 254849700 SFWBHLYJZNERSI-LYMRTNJGSA-N 496.479 4.482 50 10 JIGE BrC1=C[C@]2(Br)[C@H](Br)[C@@H]3[C@@H](Br)[C@H]4C[C@@H]3[C@@H]2[C@@H]14 384371690 KRSZSGUJZBJBNK-VROJWFGYSA-N 461.817 4.451 50 10 JIGE CC1(C)CN(C(=O)c2cc(Br)ccc2I)C[C@@H]1Br 387880160 MCBSIAJIVZZZFC-NSHDSACASA-N 486.973 4.299 50 10 JIGE COC1CCC(O[C@@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)CC1 686227434 JCEGMKJMHGIAQG-JTTJXQCZSA-N 453.361 4.165 50 10 JIGE C[C@H](NC(=O)c1cc(Br)ccc1I)C1(CBr)CC1 696075314 CCJUZYUOPMEZMH-QMMMGPOBSA-N 486.973 4.347 50 10 JIGE O=C(c1scc(Br)c1Br)N1CCC(OCCBr)CC1 705417338 FJSLOSQGAWYRGT-UHFFFAOYSA-N 476.028 4.289 50 10 JIGE O=S1(=O)CCC[C@@H]1CC(CBr)(CBr)c1ccc(Br)cc1 822172016 QAMPUFKGKVZVDI-CYBMUJFWSA-N 489.067 4.444 50 10 JIGE O=C(NN=Cc1ccc(OC(=O)c2ccccc2[N+](=O)[O-])cc1)c1ccccc1-n1cccc1 1084646966 VQJYSJHUDSVRFD-UHFFFAOYSA-N 454.442 4.369 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 1254969959 KUTXTADJEPAVNY-ULQDDVLXSA-N 461.694 4.270 50 10 JIGE CC(C)(C)/C(CBr)=N/N(CCO)C(=S)Nc1ccc(OC(F)(F)F)cc1 1615714322 WKBIBRGTHXDJHV-LPYMAVHISA-N 456.328 4.373 50 10 JIGE COc1ccc(C=NNC(=O)COc2cc(C)c(Br)cc2C(C)C)cc1[N+](=O)[O-] 1772753856 ANBQCJDWTOAIEW-UHFFFAOYSA-N 464.316 4.327 50 10 JIGE Cc1ccccc1/C=C(/C=O)N1CCN(c2ncnc3c2cnn3-c2cccc(Cl)c2)CC1 1859496018 NGAUQOXGEQKULU-XKZIYDEJSA-N 458.953 4.139 50 10 JIGE CCN(CC)c1ccc(/C=N/NC(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)cc1 1860773237 SYUODHRSLOGGDB-CCVNUDIWSA-N 473.602 4.430 50 10 JIGE COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)cc2)cc1OC 1865711286 UXECOGDKMHDXDO-JOCHJYFZSA-N 466.925 4.137 50 10 JIGE COc1ccc(-c2ccc(C(=O)NNC(=O)c3ccccc3C(F)(F)F)c(C)n2)cc1OC 1865759314 UCHLSBNBROMRRD-UHFFFAOYSA-N 459.424 4.168 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H]2C[C@@H](CCl)[C@@H]2C1 2117681340 AQROFUUKXCJUER-DCAQKATOSA-N 454.533 4.001 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CC[C@]12C[C@@H](CBr)C2 2125793839 QWXTXHRBRHBNQN-KMHCFJFGSA-N 498.984 4.443 50 10 JIGE C[C@@H]1CCCN(C(=O)Cc2ccccc2I)[C@H]1CCBr 2143871993 ATLMSXGLURXTOF-DOMZBBRYSA-N 450.158 4.246 50 10 JIGE C[C@@H]1CC[C@H](N(C)S(=O)(=O)c2cc(CBr)sc2Br)CS1 2179785506 NKDNLABUXLAWAN-BDAKNGLRSA-N 463.282 4.310 50 10 JIGE C=CC[C@H](CBr)CNS(=O)(=O)c1cc(Br)c(C)cc1Br 2202049650 IBWMDOWPDDSUIZ-SNVBAGLBSA-N 490.055 4.386 50 10 JIGE Cc1cc(C(=O)N2[C@H]3CC[C@H]2[C@@H](F)[C@H](Br)C3)ccc1I 2207096418 KHAONCXGPDJQSO-XCCSTKFXSA-N 452.105 4.078 50 10 JIGE CC(C)[C@H](Br)C(=O)Nc1ccc(Br)cc1I 2212601964 WPUUVEGANLVYNV-JTQLQIEISA-N 460.935 4.412 50 10 JIGE Cc1ccc(C(=O)N2CC[C@H](CBr)C(F)(F)C2)cc1I 2232833686 DIOPEQGEUWJKIS-LLVKDONJSA-N 458.084 4.092 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@@H](Br)C2(CC2)C1 2277919884 XRURRZWIDGNPBF-GFCCVEGCSA-N 451.984 4.140 50 10 JIGE COc1cc(OC)c([C@H](Br)c2cnn(C)c2Br)cc1Br 2295436388 BTEVIJPFSJMJNJ-LBPRGKRZSA-N 468.971 4.447 50 10 JIGE CN(C(=O)c1sccc1I)[C@H](CBr)Cc1ccccc1 2296519434 GCXATMOSHOAPQU-LBPRGKRZSA-N 464.166 4.431 50 10 JIGE C[C@H]1CN(C(=O)C(C#N)=C2NC(=NC(=O)c3ccc(Cl)cc3Cl)c3ccccc32)C[C@@H](C)O1 2296532766 YCXPLKUXWIZFDJ-OKILXGFUSA-N 483.355 4.054 50 10 JIGE COC[C@H](C)n1c(C)cc(C=C(C#N)C(=O)N2CCN(Cc3cccc(Cl)c3)CC2)c1C 2297430389 UVSXDRUXPIYNNX-IBGZPJMESA-N 455.002 4.217 50 10 JIGE Cc1nc(CCl)cnc1OCc1cc(I)ccc1Br 2341552163 LFYIMZGOQYWVSY-UHFFFAOYSA-N 453.505 4.470 50 10 JIGE O=C(N/N=C/c1cc(O)c(O)c(Br)c1Br)c1ccc(Br)cc1 3080303 MXGFYLGCKGGVSF-NGYBGAFCSA-N 492.949 4.149 50 10 JIGE CC[C@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(OCc3ccccc3)cc2)c1 10672493 BZJLJPJJGXSZBE-SFHVURJKSA-N 477.586 4.392 50 10 JIGE C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NNC(=O)c1ccccc1Br 14644446 WUTNBFPVCGNTFV-VIFPVBQESA-N 476.552 4.094 50 10 JIGE CC(C)Oc1ccc(Br)cc1C(=O)NNC(=O)COc1cccc2ccccc12 14668041 SXPOZBLWFZCKJR-UHFFFAOYSA-N 457.324 4.230 50 10 JIGE O=C(N/N=C/c1cc(Br)ccc1OCc1cccc(F)c1)c1ccc(O)cc1O 20437886 VGDOWILLOXIZSO-BHGWPJFGSA-N 459.271 4.342 50 10 JIGE CCOc1cc(/C=C2/C(=O)N(CCCOC)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1 38606418 WGTXZLLZQVZPBW-PXLXIMEGSA-N 460.530 4.293 50 10 JIGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4)ccc32)cc1OC 38680875 YYCWWFONKNQSAW-HHHXNRCGSA-N 484.508 4.463 50 10 JIGE Cc1c(C(=O)N2CCN(c3ccccc3)CC2)oc2c1/C(=N/NC(=O)c1ccccc1F)CCC2 40812325 TYJQQILLCBVRKP-QUPMIFSKSA-N 474.536 4.160 50 10 JIGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)ccc1OCc1ccc(C(=O)O)cc1 58890351 MDPVFEXRXBEHBD-MPTKSEEOSA-N 476.529 4.326 50 10 JIGE O=C(CCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N/N=C/c1cc(Br)ccc1O 59516463 UZBPAKRKLMGSCQ-YSURURNPSA-N 489.248 4.424 50 10 JIGE COCCCNC(=O)/C(C#N)=C\c1c(Oc2ccc(Cl)cc2Cl)nc2c(C)cccn2c1=O 102685472 BRSVTANMWGCYNX-PTNGSMBKSA-N 487.343 4.162 50 10 JIGE CC[C@H](CCBr)NS(=O)(=O)c1cc(Br)c(C)cc1Br 134625610 DAZTYPYAURDGGH-SECBINFHSA-N 478.044 4.362 50 10 JIGE O=S(=O)(NC[C@H]1CCC[C@H]1CBr)c1cc(Br)ccc1Br 136726087 ZHTNZEUKSYTEAF-VHSXEESVSA-N 490.055 4.301 50 10 JIGE COc1cc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(N)=O)cc2OC)ccc1OCc1ccccc1 206507713 KSLKFWPFFDNNCM-LSLFBNKYSA-N 484.508 4.294 50 10 JIGE C=CCn1c(CNc2ccc(C)cc2)nnc1S[C@@H](C)C(=O)NN=Cc1ccccc1F 252632599 VUUVJSJDMAKLDX-KRWDZBQOSA-N 452.559 4.155 50 10 JIGE Cc1cccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)c1N 382713164 ILYPXQOEUAPGOT-WMZOPIPTSA-N 450.320 4.364 50 10 JIGE Cc1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)c(N)c1 382732575 VFVFZWKSVFVLAR-AEFFLSMTSA-N 450.320 4.364 50 10 JIGE O=C(c1cc(Br)ccc1I)N(CCCBr)C1CC1 404223598 NLQUSIVUSSICOL-UHFFFAOYSA-N 486.973 4.443 50 10 JIGE C[C@@H]1CN(S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)C[C@@H]1CBr 709235976 CLEJSIMNANIJRY-SFYZADRCSA-N 466.022 4.407 50 10 JIGE CC[C@H](NC(=O)c1ccc(I)c(Br)c1)[C@@H](C)Br 721580214 UQOMEZRJZZWFCO-HQJQHLMTSA-N 474.962 4.346 50 10 JIGE Cc1nc(-c2ccc(OC(=O)/C(C#N)=C/c3cn(CCC#N)nc3-c3ccccc3)cc2)no1 916846493 BSIOJTKJPQILMD-XSFVSMFZSA-N 450.458 4.335 50 10 JIGE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NNC(=O)c1ccc(COc2ccc3ccccc3c2)cc1 1312615757 JBEQCWXLORMWOR-NOZRDPDXSA-N 459.546 4.344 50 10 JIGE C=CCC[C@@H](NC(=O)NNC(=O)c1ccc(OC)c(OC)c1)c1ccc(C(F)(F)F)cc1 1685817868 ZEJSFASFFJQFKB-QGZVFWFLSA-N 451.445 4.374 50 10 JIGE CCOc1cc(C=NNC(=O)C2CCCCC2)ccc1OC(=O)c1ccc(OC)c(OC)c1 1772719658 JIHGWWMXUQYFDF-UHFFFAOYSA-N 454.523 4.352 50 10 JIGE CCCn1nc(C)c2c1OC(N)=C(C#N)[C@H]2c1cc(Br)cc(Br)c1O 1865700969 INXBZYKIXUVYBM-CQSZACIVSA-N 468.149 4.050 50 10 JIGE FC1(CBr)CCN(c2ncc(I)cc2Br)CC1 2015766855 PNPUWIACGSFWBD-UHFFFAOYSA-N 477.941 4.152 50 10 JIGE Cc1cnc(C(=O)N(C)C[C@H](Br)COCc2ccccc2)c(Br)c1 2022058532 OAPOOYZXLIBTKJ-HNNXBMFYSA-N 456.178 4.205 50 10 JIGE CN(C[C@H]1C[C@@H](Br)C1)[C@@H](CN)c1cc(Br)c(Br)s1 2076247359 GPKYAKZQMVQSPD-XKSSXDPKSA-N 461.061 4.378 50 10 JIGE C[C@@H]1C[C@H](CBr)CCN1S(=O)(=O)c1cc(Cl)c(Br)s1 2115856782 BEKQKLIMCFJQJH-HTQZYQBOSA-N 451.633 4.348 50 10 JIGE O=S(=O)(c1cc(F)c(Cl)c(CBr)c1)N(Cc1ccccc1)[C@H]1CCOC1 2123268766 NLZYQRJOZLJHTI-HNNXBMFYSA-N 462.768 4.354 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1CC[C@H](Br)[C@H]2CC[C@H]21 2133725080 XPKSPSCLMXJLAP-SUZMYJTESA-N 454.533 4.333 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CC[C@H](Cl)[C@H]2CC[C@@H]21 2142279683 SVTMHANUBGDAAD-CDMKHQONSA-N 454.533 4.286 50 10 JIGE O=S(=O)(C[C@H](Br)c1cc(Cl)ccc1I)N1CCCCC1 2145638095 ZGKYYTKJJNNDNU-LBPRGKRZSA-N 492.604 4.196 50 10 JIGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC1(CCl)CCCCCCC1 2145921741 YGRXWUZIYHXFOU-UHFFFAOYSA-N 455.020 4.094 50 10 JIGE CC1(C)CO[C@@H](CBr)CN1C(=O)c1cccc(Br)c1Br 2167527942 WOQQCCAUKGUXAN-VIFPVBQESA-N 469.999 4.226 50 10 JIGE CC(F)(F)C[C@H](CBr)NS(=O)(=O)c1ccc(Br)cc1Cl 2169537040 DMFPKQCFFRSCMP-MRVPVSSYSA-N 455.546 4.190 50 10 JIGE C[C@@H](c1nscc1Br)N(C)S(=O)(=O)c1csc(CBr)c1 2186581173 MOXFWBRDELGXOT-ZETCQYMHSA-N 460.238 4.244 50 10 JIGE CC(C)(C)[C@@H]1[C@H](Br)CCN1C(=O)c1c(F)cccc1I 2282786833 JKKAQBHXXSQGTJ-RNCFNFMXSA-N 454.121 4.454 50 10 JIGE COc1cc(OC)c([C@H](Br)c2cc(I)sn2)cc1OC 2289385032 HRWGFBFHYLFWAI-ZDUSSCGKSA-N 470.126 4.258 50 10 JIGE CCCc1nn2c(=O)cc(COc3ccc(C=C(C#N)C(=O)Nc4ccccc4)cc3)nc2s1 2297350799 XGJXUUMZSHXDAG-UHFFFAOYSA-N 471.542 4.228 50 10 JIGE COc1cc(C=C(C#N)C(=O)N(C)C)cc(I)c1OCc1cccc(F)c1 2313567810 LJNPSSTUXGIQEC-UHFFFAOYSA-N 480.277 4.013 50 10 JIGE CCOC(=O)COc1c(Br)cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc1OC 2313568207 PNBTXBRQIHOAPD-UHFFFAOYSA-N 473.323 4.254 50 10 JIGE COc1ccc(C=C(C#N)C(=O)NCc2ccc3n2CCN(C(=O)OC(C)(C)C)[C@@H]3C)cc1 2329611199 ZCLANEBOJZOQNU-QGZVFWFLSA-N 450.539 4.032 50 10 JIGE CCOC(=O)c1cnn(-c2ccc(Cl)cc2)c1NC(=O)C(C#N)=Cc1ccc(OCCOC)cc1 2331123890 KHXVSBCLXIWSFS-UHFFFAOYSA-N 494.935 4.273 50 10 JIGE C[C@@H](Cl)C[C@H]1CCCCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364194002 AMHDPUKUMMRZIL-QZTJIDSGSA-N 455.020 4.045 50 10 JIGE C[C@H](NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl)[C@@H](C)CBr 167740207 YNZJRPLMQWAGLL-BQBZGAKWSA-N 454.011 4.454 50 10 JIGE CCOc1cc(C=NNC(=O)c2ccccc2)cc(Cl)c1OS(=O)(=O)c1ccccc1 252589194 AIHGFMJOUMEGQN-UHFFFAOYSA-N 458.923 4.270 50 10 JIGE O=C(CCCC(=O)NN=C(c1ccccc1)c1cccnc1)NN=C(c1ccccc1)c1cccnc1 254616222 IINCYFRZXYTBNY-UHFFFAOYSA-N 490.567 4.084 50 10 JIGE C[C@]12CN(Cc3ccccc3)C[C@@H]1CN(S(=O)(=O)c1cc(CCl)sc1Br)C2 702082691 RJVJSLDPCZKDOO-DNVCBOLYSA-N 489.888 4.392 50 10 JIGE CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(S(=O)(=O)C[C@H]3CCCO3)cc2)c1C 731338233 RFGFWXUOEZSWOK-VOSMRYOYSA-N 455.580 4.013 50 10 JIGE COc1ccccc1Nc1nc2sc(C(=O)NNC(=O)Cc3ccccc3F)cc2s1 731366235 KXCUHOGNFQDVGU-UHFFFAOYSA-N 456.524 4.253 50 10 JIGE CC[C@H](C)NC(=O)c1cccc(CNC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)c1 918596723 GOUCGMNGXPZXMS-RNLRLKOUSA-N 480.572 4.215 50 10 JIGE CCOC(=O)c1ccc(-n2c(C)cc(C=NNC(=O)c3ccc(OCC)cc3)c2C)cc1[N+](=O)[O-] 1084326869 CTEQEVULNXNMJG-UHFFFAOYSA-N 478.505 4.342 50 10 JIGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C 1865759226 OPTKIIRHZHNDSK-UHFFFAOYSA-N 481.380 4.430 50 10 JIGE Cn1nc(Br)c([C@@H](Br)c2sc(Cl)cc2I)n1 1900918132 CSJVOOKIBQMQFL-RXMQYKEDSA-N 497.381 4.381 50 10 JIGE CCN(CCCBr)C(=O)c1ccc(Br)cc1I 2026218527 QZSNTZRIBURCFV-UHFFFAOYSA-N 474.962 4.301 50 10 JIGE O=C(Cl)c1ccc(I)c(I)c1C(F)(F)F 2060052834 LPJQICDBDXLRHR-UHFFFAOYSA-N 460.358 4.294 50 10 JIGE CCC(CBr)(CBr)NS(=O)(=O)c1c(C)sc(C)c1Br 2087634087 KZLNBUKYAARQEV-UHFFFAOYSA-N 498.100 4.344 50 10 JIGE Brc1ccc(CN2CCO[C@@H]3C[C@H](Br)C[C@@H]32)c(Br)c1 2128884889 QTEBTIUSDYQKNG-KWCYVHTRSA-N 454.000 4.338 50 10 JIGE C[C@H]1CN(Cc2ccc(I)c(Cl)c2)C[C@@H](CCBr)O1 2142951178 XWGSTHZQSXQONB-CMPLNLGQSA-N 458.565 4.319 50 10 JIGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=CC=Cc2cccc([N+](=O)[O-])c2)cc1 2295482987 NCEIYLRLPNZOGY-UHFFFAOYSA-N 483.528 4.247 50 10 JIGE CCc1nnc(NS(=O)(=O)c2ccc(NC=C(C=O)c3nc4cc(Cl)ccc4o3)cc2)s1 2297453734 SKJVFUIUEWSROH-UHFFFAOYSA-N 489.966 4.348 50 10 JIGE CCOc1cccc(C=C(C#N)C(=O)Nc2sc(C(=O)N(CC)CC)c(C)c2C(=O)OC)c1 2297616620 QFHVNCROHQQGIL-UHFFFAOYSA-N 469.563 4.270 50 10 JIGE Cc1cc(Br)cnc1C(=O)N[C@H](CCBr)COCc1ccccc1 2303544509 DWILBLFADQEIBA-MRXNPFEDSA-N 456.178 4.253 50 10 JIGE C#CCOc1c(CC=C)cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OCC 2313567755 ODZFMNSXRVGFGQ-UHFFFAOYSA-N 455.558 4.082 50 10 JIGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(C)cc1 2314754956 KCZNDBMQNIEMOJ-UHFFFAOYSA-N 460.486 4.195 50 10 JIGE CCCOc1ccccc1C=C(C#N)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 2314773855 GJXVJMCOFFBKKX-UHFFFAOYSA-N 462.531 4.217 50 10 JIGE Clc1ccc(COC2(CI)CCOCC2)c(I)c1 2317812403 ZILIMHCRHWUTOV-UHFFFAOYSA-N 492.522 4.445 50 10 JIGE COc1cc(C=C(C#N)c2ccccc2OC)ccc1OC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O 2320506070 AZHKLAWIWLZQHS-QGZVFWFLSA-N 482.492 4.358 50 10 JIGE BrCc1c(Br)cccc1OCc1ncc(I)cn1 2327894530 SYCCQNILXPQXAG-UHFFFAOYSA-N 483.929 4.318 50 10 JIGE N#CC(=C(O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2c[nH]c3ccccc23)cs1 2331349137 UPKSCYXARKFHRC-UHFFFAOYSA-N 471.454 4.288 50 10 JIGE O=C(c1sccc1I)N1C[C@@H]2C[C@H](CBr)C[C@@H](C2)C1 2343291823 CFPSHNYAKDANKG-JGPRNRPPSA-N 454.171 4.236 50 10 JIGE Cc1ncnc(N2CCC[C@]3(CBr)CCCC[C@H]23)c1I 2365432541 RRUFSSALLMWYNZ-WFASDCNBSA-N 450.162 4.314 50 10 JIGE COc1ccc2nc(N(/N=C/c3ccco3)C(=O)c3cccc(N4C(=O)CCC4=O)c3)sc2c1 9629136 MBNIOVPBXYBORP-AFUMVMLFSA-N 474.498 4.232 50 10 JIGE Cc1ccc(O[C@H](C)C(=O)NNC(=O)COc2ccc3ccccc3c2Br)cc1C 10151968 DCXOZMJUMVRBOV-MRXNPFEDSA-N 471.351 4.213 50 10 JIGE O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NN=Cc1ccc(Br)cc1)c1cccs1 13147051 OHFBWJDDFOHHKS-FQEVSTJZSA-N 495.402 4.483 50 10 JIGE CC(C)COc1ccc(C(=O)NNC(=O)COc2ccc3ccccc3c2Br)cc1 14024874 JUQDGDPXBOWADS-UHFFFAOYSA-N 471.351 4.477 50 10 JIGE Cc1ccc(NC(=O)CCC(=O)NNC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)cc1C 14038682 COHBRCCIJXDAIT-HXUWFJFHSA-N 459.546 4.304 50 10 JIGE COCCOc1ccc(Br)cc1C(=O)NNC(=O)C(c1ccccc1)c1ccccc1 14662543 MKGXIUIHFOKQOM-UHFFFAOYSA-N 483.362 4.067 50 10 JIGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccccc4)ccc32)cc1OC 38659679 RVNRWNRDWQQHPK-AREMUKBSSA-N 456.498 4.460 50 10 JIGE CCOC(=O)c1ccccc1Nc1ncnc(NNC(=O)c2cccc3ccccc23)c1[N+](=O)[O-] 40658764 RWYDXDZTVXEBRR-UHFFFAOYSA-N 472.461 4.215 50 10 JIGE COc1ccc(CCNC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc(C)c2)CCC3)cc1OC 40811320 PCAVZZJIYQUSQQ-MWAVMZGNSA-N 489.572 4.357 50 10 JIGE Cc1c(C(=O)Oc2cccnc2)oc2c1/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 40813486 DYTWYSWPFRUSQA-PCLIKHOPSA-N 468.853 4.234 50 10 JIGE CCOc1cc(/C=C2\C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)ccc1OCCC(C)C 214330117 XAPVBXNUKNNMEH-GAASDFDMSA-N 452.551 4.281 50 10 JIGE COc1ccc(NCC(=O)NN=Cc2cc([N+](=O)[O-])ccc2N(CC(C)C)CC(C)C)cc1 254464281 ZQMQJHJCYCNIRP-UHFFFAOYSA-N 455.559 4.284 50 10 JIGE N#CCCn1cc(/C=C(/C#N)C(=O)NCc2ccc([N+](=O)[O-])cc2)c(-c2ccc(Cl)cc2)n1 917790238 CBJOBXMOILAWQB-PDGQHHTCSA-N 460.881 4.249 50 10 JIGE N#C/C(=C/c1ccccc1)C(=O)NN=C(c1ccccc1)c1ccc(N2CCCCS2(=O)=O)cc1 1081823648 LOZGWJLPHIYUKK-WEISXBEFSA-N 484.581 4.092 50 10 JIGE COc1ccc(C=NNC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)cc1 1084499846 BCHNNDWHVBTICD-UHFFFAOYSA-N 471.966 4.079 50 10 JIGE C=CCOc1cccc(NC(=O)NNC(=O)[C@@H]2Cc3ccccc3CN2Cc2ccccc2)c1 1673779502 KAFJWDQDJHDJPL-VWLOTQADSA-N 456.546 4.031 50 10 JIGE COc1ccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4cccc([N+](=O)[O-])c4)c(C)c32)cc1 1772746168 RQEGRSVJLZKCPD-UHFFFAOYSA-N 462.462 4.228 50 10 JIGE Cc1ccc(-c2csc3ncn(CC(=O)N/N=C/c4cccc(OC(C)C)c4)c(=O)c23)cc1 1860773114 RJMKKRVEMHVRKB-KKMKTNMSSA-N 460.559 4.371 50 10 JIGE CC[C@H](C)N1C(=O)c2ccc(C(=O)NNC(=O)c3ccc(-c4ccc(C)c(C)c4)nc3C)cc2C1=O 1865756207 MKDKFBYDLBABTC-KRWDZBQOSA-N 484.556 4.143 50 10 JIGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)c2cccc(Cl)n2)cc1 1866564737 NNUJLYXXCONQPI-LJQANCHMSA-N 454.914 4.427 50 10 JIGE CCN(C[C@](C)(CI)OC[C@@H](C)N(CC)CC)C(=O)OC(C)(C)C 2007011400 RFEGVXYOVHQSPA-QAPCUYQASA-N 456.409 4.184 50 10 JIGE O=S1(=O)C[C@@H]2[C@H]([C@H](Cl)c3c(Br)sc(Br)c3Cl)[C@@H]2C1 2054228817 ZWAZTVHTYHMCTH-RULRNXASSA-N 455.020 4.497 50 10 JIGE CCOC(=O)Cc1ccc(I)c(Br)c1CBr 2054990874 DSFXRHMGMGGRIU-UHFFFAOYSA-N 461.919 4.054 50 10 JIGE CCOC(=O)Cc1ccc(C(F)(F)F)c(CBr)c1I 2055273388 WQVUCCUXKFLXGF-UHFFFAOYSA-N 451.020 4.311 50 10 JIGE CC1([C@@H](CBr)NS(=O)(=O)c2cc(Br)ccc2Br)CC1 2094136114 IMGXLGNRUBIOFY-LLVKDONJSA-N 476.028 4.054 50 10 JIGE Cc1csc(CBr)c1S(=O)(=O)N1CCN(Cc2ccccc2)C(C)(C)C1 2123236445 HORJTMAETRBWOJ-UHFFFAOYSA-N 457.459 4.237 50 10 JIGE C[C@@H]1CN(S(=O)(=O)c2cc(Br)ccc2Br)[C@H](C)C[C@H]1Br 2149518062 FMIBTAGPSZQCTP-KBVBSXBZSA-N 490.055 4.394 50 10 JIGE O=C(NC[C@H]1CC[C@H](CBr)CC1)c1cc(I)ccc1F 2169664887 NOECVKQHCATPKK-XYPYZODXSA-N 454.121 4.361 50 10 JIGE CN([C@H](CCBr)C(F)F)S(=O)(=O)c1ccc(Br)cc1Cl 2178521625 WBTFUKCKVQUHRM-SECBINFHSA-N 455.546 4.142 50 10 JIGE CN1CCC(N(Cc2ccccc2)S(=O)(=O)c2ccc(F)c(CBr)c2)CC1 2179784827 FARSILFUNWYVCU-UHFFFAOYSA-N 455.393 4.006 50 10 JIGE O=C(N[C@H](CBr)C[C@@H]1CCOC1)c1cccc(Br)c1Br 2195492783 MMDASHFPGNBPAW-UWVGGRQHSA-N 469.999 4.132 50 10 JIGE Clc1cc(CN2CCO[C@@H]3C[C@@H](CBr)C[C@H]32)ccc1I 2208030280 RDEISUQJAKKKGB-NILFDRSVSA-N 470.576 4.319 50 10 JIGE O=C(c1cc(I)ccc1O)N1CCC[C@H](CCCBr)C1 2234182569 STAGATFAUQFBRU-NSHDSACASA-N 452.130 4.024 50 10 JIGE O=C(c1cccc(F)c1I)N1CCC[C@H](CCCBr)C1 2234191821 NUJWCVWYYGUEEJ-NSHDSACASA-N 454.121 4.458 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1[C@H]2CC[C@@H]1C[C@H](Br)C2 2268352680 PTDAIWGAPNKUER-JGPRNRPPSA-N 454.533 4.475 50 10 JIGE C[C@@H](Br)[C@H](NC(=O)c1ccc(Cl)c(I)c1)C(F)(F)F 2268352771 QLTWUAKNTGSGSJ-ANLVUFKYSA-N 470.454 4.389 50 10 JIGE Cn1cc(I)c(COc2ccc(Br)c(CBr)c2)n1 2319227532 BGVTWWRYIMMPMS-UHFFFAOYSA-N 485.945 4.261 50 10 JIGE CC(C)n1ncc(Br)c1CNCCSSCCNC(=O)OC(C)(C)C 2319503201 WRWGYGUJLVQSLX-UHFFFAOYSA-N 453.472 4.222 50 10 JIGE O=S(=O)(N[C@@H](CCBr)COCc1ccccc1)c1ccc(F)c(Br)c1 2320404228 FHCSJYBPIYYBMK-AWEZNQCLSA-N 495.208 4.237 50 10 JIGE O=C(N[C@H]1C[C@@H](CBr)[C@H]2C[C@H]12)c1ccc(Br)cc1Br 2329870999 SPWPYYOPAQTHRE-RINBACNTSA-N 451.984 4.361 50 10 JIGE CC1CCC(CBr)(NC(=O)c2c(Br)c(Br)nn2C)CC1 2364031042 GCVIWFDQLGANCR-UHFFFAOYSA-N 472.019 4.019 50 10 JIGE CC(C)[C@@H]1C[C@H](Br)CN1S(=O)(=O)c1cc(Br)ccc1Br 2370736682 JYEMIDWARTVTFE-JQWIXIFHSA-N 490.055 4.394 50 10 JIGE C[C@@H](Cl)c1nc2ccc(Br)cc2n1-c1c(I)cnn1C 2381855844 DZOOWRZUVNMCKJ-SSDOTTSWSA-N 465.520 4.426 50 10 JIGE CCCOC(=O)CSC1=C(C#N)[C@H](c2cccnc2)C(C(=O)Nc2ccccc2C)=C(C)N1 19595529 CVBIILDOLLOMMG-QHCPKHFHSA-N 462.575 4.411 50 10 JIGE CS(=O)(=O)N(CC(=O)N/N=C/c1ccc2c3c(cccc13)CC2)c1ccc2c3c(cccc13)CC2 59464120 AWDOUSOFUJONOP-MUFRIFMGSA-N 483.593 4.107 50 10 JIGE O=C(CCl)N(C[C@H]1COc2ccccc2O1)C1(C(=O)NC2CCCCCC2)CCCCC1 97915030 OOTQRYBEDXUUEZ-FQEVSTJZSA-N 463.018 4.436 50 10 JIGE CCOc1ccccc1/C=N\NC(=O)c1ccc2[nH]c(Cc3ccc(OC)c(OC)c3)nc2c1 169925496 SQKDRQLSCVUHED-YUMHPJSZSA-N 458.518 4.334 50 10 JIGE COc1ccc(/C=C(/C#N)C(=O)N(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 207128815 WFIHQBSHLHDEOK-SILNSSARSA-N 462.527 4.341 50 10 JIGE CCn1nc(C(=O)NNC(=O)/C=C\c2ccc3c(c2)c2ccccc2n3CC)c2ccccc2c1=O 214947366 VKDJVVFOGMLXBL-PEZBUJJGSA-N 479.540 4.019 50 10 JIGE CCOc1ccc(C=NNC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)cc1OC 254598283 RVACTQYNKHLDAF-RFOQDLETSA-N 486.572 4.081 50 10 JIGE CCOc1cc([C@@H]2c3sc(=S)[nH]c3S[C@H]3[C@H]2[C@H]2C[C@H]3[C@@H]3C(=O)OC(=O)[C@@H]23)ccc1O 256027004 RYZGPIBTQOPVRB-AAMKZYMJSA-N 461.586 4.098 50 10 JIGE COc1cccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)NNC(=O)NC(C)C)c1OC 745139209 BVFARFJQWBRDPF-PEZBUJJGSA-N 460.534 4.091 50 10 JIGE COc1cccc(C=NNC(=O)CSc2nnc(CCc3ccccc3)n2-c2ccccc2)c1 1084162903 IMWGNDYQTLQMTC-UHFFFAOYSA-N 471.586 4.304 50 10 JIGE C=CCn1c(S)nc2cc(C(=O)NNc3ccc(OCc4ccccc4)cc3)ccc2c1=O 1148419342 DMWNRJDWXGYKHG-UHFFFAOYSA-N 458.543 4.207 50 10 JIGE C=CCNC(=O)c1ccc(NC(=O)NNC(=O)c2cc3c(s2)CC[C@H](C(C)(C)C)C3)cc1 1214815370 LXTXBPKVNJFDCQ-KRWDZBQOSA-N 454.596 4.281 50 10 JIGE C[C@@H](NC(=O)NNC(=O)c1ccc(Br)cc1)c1ccc(F)c(Br)c1 1318614575 YZCYMGPHUFRSLV-SECBINFHSA-N 459.113 4.056 50 10 JIGE C=CCc1cc(CNC(=O)NNc2c(F)cc(F)cc2Br)cc(OC)c1OC 1630466341 ZSQWPRSBZRGHHD-UHFFFAOYSA-N 456.287 4.299 50 10 JIGE C#C[C@@H](NC(=O)NNc1cc(C(=O)OC)ccc1Br)c1ccc(Cl)cc1F 1683517134 QVQLMCWZVQKYIS-OAHLLOKOSA-N 454.683 4.029 50 10 JIGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)NNC(=O)c1ccc(F)c([N+](=O)[O-])c1 1865759938 ZHSWTWJNZBIBEO-UHFFFAOYSA-N 463.252 4.486 50 10 JIGE CC(C)(C)OC(=O)Nc1cc(I)cc(C(=O)N[C@H]2C[C@@H](Br)C2)c1 1986070916 NPLJJUOBEUUSOG-GSJFWJNXSA-N 495.155 4.294 50 10 JIGE N#CC(=Cc1ccc(C(=O)O)cc1)S(=O)(=O)c1cc(Br)ccc1Br 2040461348 LQOSQQKRWLQIQB-UHFFFAOYSA-N 471.126 4.248 50 10 JIGE C[C@H](Cl)CCc1cn(-c2cc(I)cc(I)c2)nn1 2068992528 ZIEWYBMURYOAGS-QMMMGPOBSA-N 487.510 4.036 50 10 JIGE O=C(Nc1cccc(CCCBr)c1)c1cc(I)sn1 2120024950 GIMICAGORQUGSS-UHFFFAOYSA-N 451.127 4.328 50 10 JIGE C[C@@H]1CN(C(=O)c2csc(Br)c2Br)C[C@@H](CCBr)O1 2122789035 KIYFSFDVWSFJLB-HTQZYQBOSA-N 476.028 4.288 50 10 JIGE CN(C[C@@H]1CCCCN1Cc1ccccc1)S(=O)(=O)c1csc(CBr)c1 2123235653 ASLUMCMNUWZWGO-KRWDZBQOSA-N 457.459 4.318 50 10 JIGE O=C(c1scc(Br)c1Br)N1CC[C@@]2(C[C@H](Br)CO2)C1 2137145772 TULVHSOMPTYFEC-JVXZTZIISA-N 474.012 4.042 50 10 JIGE Cc1sc(Br)cc1S(=O)(=O)N(CCBr)Cc1ccsc1 2171096153 YFNFIZIVFBWEBJ-UHFFFAOYSA-N 459.250 4.466 50 10 JIGE CC(C)(C)OC(=O)NCC(F)(F)[C@@H]1CCCCN1CC1(CBr)CCOCC1 2185163869 NVUQRJBRSODESL-HNNXBMFYSA-N 455.384 4.193 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1CC[C@H](Br)[C@H]2CC[C@H]21 2190250165 QHDWFNMDCSIJPJ-JFGNBEQYSA-N 488.039 4.148 50 10 JIGE I[C@@H]1CCCCC[C@H]1OCCOCCOCCOCc1ccccc1 2220485295 NPGFCBUJYQPQAM-WOJBJXKFSA-N 462.368 4.389 50 10 JIGE COc1ccc(NC(=O)C(C#N)=Cc2c(Oc3cccc(C)c3)nc3ccccn3c2=O)cc1 2296542711 CDILYKHETAWZOR-UHFFFAOYSA-N 452.470 4.350 50 10 JIGE O=C(N[C@H]1C[C@@H](CBr)[C@H]2C[C@@H]12)c1scc(Br)c1Br 2309230656 PPHNNCPUTCSBEU-SZACMFPPSA-N 458.013 4.422 50 10 JIGE O=C(c1csc(Br)c1Br)N1CC[C@H]2[C@H](CBr)[C@H]2C1 2311899213 GJHINKVPMTXHDQ-FXQIFTODSA-N 458.013 4.376 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CCCC[C@@H]1OCc1ccccc1 2325069251 BTNGYSFCWDQNPL-WMZHIEFXSA-N 484.684 4.465 50 10 JIGE C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)NN=Cc4ccc(F)c(Br)c4)c(=O)c23)C1 2325903265 NAEVGDIDJBOUDG-VXGBXAGGSA-N 491.386 4.196 50 10 JIGE COC1(C(F)F)CC(CO[C@@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)C1 2340632469 AVMHFNDSYGNGOT-LKGZKJKYSA-N 489.341 4.268 50 10 JIGE CCc1ccc(OCC(=O)NC(=S)NNC(=O)c2ccc(C(C)(C)C)cc2)c(Br)c1 13978629 NUCPBUFVJMXTLT-UHFFFAOYSA-N 492.439 4.024 50 10 JIGE COCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C\c2ccc(Cl)c(Cl)c2)c(OC)c1 33378323 NIWWNMQJITYQBC-AFJXRGGSSA-N 475.328 4.290 50 10 JIGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 38602869 KQOHUGIFNYSDDU-UDWIEESQSA-N 483.484 4.068 50 10 JIGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cc(C)n(-c3cc(C(=O)O)ccc3C)c2C)cc1 58894476 SLERMODNTLWKJE-SXFMOBQTSA-N 477.561 4.463 50 10 JIGE O=C(c1cc(Br)c(Br)s1)N1CCC(OCCBr)CC1 129754958 NMHZXTIKCQFLPZ-UHFFFAOYSA-N 476.028 4.289 50 10 JIGE CCC(=O)O[C@]1(C(=O)CCl)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 138164871 WWKWSAYUTWRZKP-OCUNRLNVSA-N 468.993 4.327 50 10 JIGE COc1cc(/C=N/NC(=O)c2cc3ccccc3n2C)cc([N+](=O)[O-])c1OCc1ccccc1 169926082 MHQUEOQFNAUEIJ-CVKSISIWSA-N 458.474 4.438 50 10 JIGE COc1ccc(/C=C(/C#N)C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2)cc1 206697040 QZJUENJQRPQTPX-NMGXZBPKSA-N 453.454 4.024 50 10 JIGE CCCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)COc2c(C)ccc(C)c2C)c(OC)c1 207142173 DJZACQMCYMOVPZ-BKUYFWCQSA-N 450.535 4.428 50 10 JIGE COC(=O)c1ccc(C=NNC(=O)c2cc(-c3ccc(OC)cc3)nn2-c2ccccc2)cc1 254568860 LKUHEGNGOMYKTC-UHFFFAOYSA-N 454.486 4.098 50 10 JIGE CCn1c2ccccc2c2cc(NC(=O)CC(C)=NNC(=O)C(=O)Nc3ccccc3OC)ccc21 254703502 VWZLOEPIMYYHPL-UHFFFAOYSA-N 485.544 4.282 50 10 JIGE Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(S(=O)(=O)C[C@@H]3CCCO3)cc2)c(C)n1CC(C)C 731338021 LKCYJHWPDQKCNH-RQLGBQGVSA-N 469.607 4.259 50 10 JIGE CC(=NNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1O 1084443906 ADCRONGNEJENGT-UHFFFAOYSA-N 471.966 4.090 50 10 JIGE Nn1c(SCCCC(=O)NN=Cc2ccccc2Cl)nnc1-c1ccccc1Br 1084515342 ZLQKYBZBFOFQKU-UHFFFAOYSA-N 493.818 4.097 50 10 JIGE C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F 1087669516 KRBPZFUDFIYREM-IUIKQTSFSA-N 471.273 4.186 50 10 JIGE C/C(=C/c1c(Cl)cccc1Cl)C(=O)NNC(=O)COc1ccccc1Br 1132942982 YWENRSHOENQNCU-LUAWRHEFSA-N 458.139 4.386 50 10 JIGE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)n1 1189897047 PQZCLAHSQRYKQR-UHFFFAOYSA-N 459.462 4.011 50 10 JIGE Cc1nn(-c2nc(O)c(C#N)c(-c3ccccc3)n2)c2c1[C@@H](c1ccc(Cl)cc1)C(C#N)=C(N)O2 1616047869 JJVLFDBNPRUDEJ-FQEVSTJZSA-N 481.903 4.087 50 10 JIGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(F)c2)cc(Br)c1O 1865688431 RWLQJADBWLZBLN-HXUWFJFHSA-N 499.340 4.464 50 10 JIGE COc1ccc(-c2ccc(C(=O)N/N=C\c3ccc(Cl)c([N+](=O)[O-])c3)c(C)n2)cc1OC 1865760700 LFUUDRQBRDZFGB-MSXFZWOLSA-N 454.870 4.400 50 10 JIGE N#C/C(=C\c1ccc(Br)cc1)C(=O)Nc1ccc(Br)cc1C(=O)O 1866128670 FJQGELZHMLXJNF-YRNVUSSQSA-N 450.086 4.455 50 10 JIGE COc1ccc(CCN2C[C@@H](/C(O)=C(\C#N)c3nc(C(C)(C)C)cs3)CC2=O)cc1OC 1872748707 JWJAWFAKBWXRPR-UDWOFDDZSA-N 455.580 4.342 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CCN(C(=O)OC(C)(C)C)CC12CC2 1986933464 OVMCNOQPHVOIEX-INIZCTEOSA-N 461.694 4.272 50 10 JIGE CC1(C)C[C@H](Br)CN1C(=O)c1ccc(I)c(Br)c1 2037351540 SONKRNMEDMVBOE-VIFPVBQESA-N 486.973 4.442 50 10 JIGE O=C(CBr)c1c(I)ccc(OC(F)(F)F)c1OC(F)F 2060375707 GDFKFYVFRZOFDY-UHFFFAOYSA-N 474.945 4.369 50 10 JIGE C[C@]1(CCBr)CCN1C(=O)c1ccc(Br)cc1I 2086146921 GYNHGLLULQPJMU-ZDUSSCGKSA-N 486.973 4.443 50 10 JIGE C[C@@H]1CCC(F)(F)CN1S(=O)(=O)c1cc(CBr)sc1Br 2179773917 AHGBINIAHWMNBK-SSDOTTSWSA-N 453.168 4.214 50 10 JIGE O=[N+]([O-])c1sc(CBr)cc1N1CC[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1 2185514653 OPJHYMJRIOWAEE-ROUUACIJSA-N 452.374 4.031 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@](CI)(O[C@@H]2CC[C@H]3[C@H]2C3(F)F)C1 2216575625 AIFZPRATUYYZAJ-VPWBDBDCSA-N 457.299 4.251 50 10 JIGE O=S(=O)(c1cc(CBr)cs1)N1[C@H]2CCC[C@@H]1CN(Cc1ccccc1)C2 2226320046 LRMWMEBDKMPFOU-HDICACEKSA-N 455.443 4.071 50 10 JIGE O=C(c1csc(Br)c1Br)N1C[C@H]2OCCC[C@@]2(CBr)C1 2238798069 VDHMZDWJLPATGA-NOZJJQNGSA-N 488.039 4.289 50 10 JIGE COc1ccc(C=C(C#N)C(=O)Nc2nc3c(s2)CCN(Cc2ccccc2)C3)cc1OC 2297399299 SVSISJYHZDJIRY-UHFFFAOYSA-N 460.559 4.264 50 10 JIGE O=C(N[C@H](CCBr)C(F)F)c1ccc(Cl)cc1I 2317772778 HCZZJBSQMPIBQS-SECBINFHSA-N 452.464 4.093 50 10 JIGE CCCOc1ccc([C@@H](CC(=O)O)NC(=O)C(C#N)=Cc2cccc(Br)c2)cc1OC 2329692571 XWUBWFAYZFPCLX-LJQANCHMSA-N 487.350 4.486 50 10 JIGE ClC[C@@H]1CC[C@@H]2CN(Cc3ccc(I)c(Br)c3)C[C@H]2O1 2377352255 JWGZLBHRWWKPSB-TYNCELHUSA-N 470.576 4.272 50 10 JIGE O=C(COc1ccccc1-c1ccccc1)NNC(=S)NC(=O)Cc1cccc2ccccc12 13980069 ATUYPNOYVMCZEQ-UHFFFAOYSA-N 469.566 4.150 50 10 JIGE CCCCOc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc([C@H](C)CC)cc2)c1 14041970 HQWVTGJRXDRNAE-QGZVFWFLSA-N 457.596 4.094 50 10 JIGE CCCOc1ccc(C(=O)NNC(=O)CCC(=O)Nc2ccc(C)c(C)c2)cc1Br 14647328 QYROGOROUNYOSH-UHFFFAOYSA-N 476.371 4.035 50 10 JIGE COc1cc(/C=C(/C#N)C(=O)N[C@@H]2CCCO2)cc(Br)c1OCc1ccccc1 33410988 JMGXVYISDLUKHD-PSXSOWLISA-N 457.324 4.196 50 10 JIGE CCOC(=O)C1=C(c2ccc(OC)cc2)OC(N)=C(C#N)[C@H]1c1ccc(Br)cc1 35576435 GNYXHHAAHKBJGL-GOSISDBHSA-N 455.308 4.240 50 10 JIGE COc1ccc2nc(Nc3ncnc(NNC(=O)c4ccc(Cl)cc4Cl)c3N)sc2c1 40784268 OEXARCKFGOEGQL-UHFFFAOYSA-N 476.349 4.484 50 10 JIGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)c1ccc(-c2ccccc2)cc1 41011891 QCCNDIFKYRHEIO-JJIBRWJFSA-N 468.509 4.347 50 10 JIGE N#C/C(=C/c1c[nH]nc1-c1ccc(Br)cc1)C(=O)Nc1ccc2c(c1)OCCO2 96438300 NARBDAKDSBBGBD-ZROIWOOFSA-N 451.280 4.156 50 10 JIGE COc1ccc(/C=C(/C#N)C(=O)Nc2sccc2C(=O)OC(C)C)cc1CN1CCSCC1 96504344 POGBZSFTKAKTKN-PDGQHHTCSA-N 485.631 4.416 50 10 JIGE N#C/C(C(=O)NC1CCCCC1)=C1\N=C(NC(=O)c2ccc(Br)cc2)c2ccccc21 102985037 LAPYNSGCFOUPAH-QZQOTICOSA-N 477.362 4.323 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2CC[C@@H](CCBr)C2)cc1Br 125214622 XMKURQQMEMELLQ-SNVBAGLBSA-N 490.055 4.316 50 10 JIGE O=C(NN=Cc1ccc(C(F)(F)F)cc1)c1ccc(NS(=O)(=O)c2cccs2)cc1 254751337 WWGBMKKSWZKGEA-UHFFFAOYSA-N 453.467 4.332 50 10 JIGE CC[C@H](Br)c1cn(-c2ccc(Br)c(I)c2)nn1 304215762 YDLLIAIGQSXNRP-QMMMGPOBSA-N 470.934 4.480 50 10 JIGE CC(C)N(CCOCCBr)C(=O)c1ccc(I)c(Cl)c1 383323536 WRXNRQCVHAZNCP-UHFFFAOYSA-N 474.564 4.207 50 10 JIGE CCN(C[C@](C)(CI)O[C@@H]1CCC[C@@H](OC)C1)C(=O)OC(C)(C)C 686727379 GVGHYRFQWJOXQE-RKVPGOIHSA-N 455.377 4.411 50 10 JIGE COc1ccc(/C=C2\CCCc3c2nc2ccccc2c3C(=O)NNC(=O)NC(C)C)cc1OC 745139408 GAIVFVBVBAREMM-NBVRZTHBSA-N 474.561 4.481 50 10 JIGE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)c2ccoc2)c1 747184684 MHOKJETXXCYBKH-UHFFFAOYSA-N 494.356 4.043 50 10 JIGE Nn1c(SCCCC(=O)NN=Cc2cccc(Oc3ccccc3)c2)nnc1-c1ccccc1 1084248827 ROUIZSGBJGGTNK-UHFFFAOYSA-N 472.574 4.474 50 10 JIGE O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)NN=Cc1cccs1 1565519298 KJSWGMUHIWOYFH-UHFFFAOYSA-N 482.414 4.396 50 10 JIGE COc1ccc2c(c1)C(=NNC(=O)COc1ccc(Cl)cc1Cl)C(=O)N2CCC(C)C 1772719905 PHZPJLVMSUBYTE-UHFFFAOYSA-N 464.349 4.294 50 10 JIGE COc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)Nc3ccc(Cl)cn3)c(C)c21 1772745627 DLNLCYQUAZTAFF-UHFFFAOYSA-N 452.898 4.368 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)cc2)[C@@H]1c1ccccc1C(=O)O 1865704509 XPSSGNWVGAWKNP-OAHLLOKOSA-N 460.799 4.461 50 10 JIGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)c2cc(-c3ccncc3)[nH]n2)cc1 1867158304 MJKNNLGQEYXNRZ-QFIPXVFZSA-N 486.532 4.164 50 10 JIGE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)CC1(CBr)CCCC1 1959576493 UZEQSSQFKHCKNS-UHFFFAOYSA-N 478.472 4.293 50 10 JIGE C[C@H]1C[C@H]1N(CCBr)C(=O)c1ccc(I)c(Br)c1 2048215651 FYIKCEMITYAWFC-QPUJVOFHSA-N 486.973 4.299 50 10 JIGE O=S(=O)(c1cc(Cl)cc(CBr)c1Cl)N(Cc1ccccc1)C1COC1 2059312176 HOBRCGGLYMUAJT-UHFFFAOYSA-N 465.196 4.478 50 10 JIGE Brc1cc(I)cnc1N1C[C@@H]2CCC[C@@H](Br)[C@H]2C1 2069533483 IHVGIFPXNSPGHC-INTQDDNPSA-N 485.989 4.449 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H](Cl)[C@H](C2CC2)C1 2090672915 CDYASVHPNSNFDH-CMPLNLGQSA-N 454.533 4.143 50 10 JIGE O=C(N[C@@H](CBr)c1cccs1)c1ccc(F)cc1I 2119038974 LQPFHXHXSIJBLS-NSHDSACASA-N 454.102 4.358 50 10 JIGE CN(C)C[C@H]1C[C@H](Br)CN1Cc1cc(Br)ccc1Br 2122380451 KIVXDDZSQVLPJC-QWHCGFSZSA-N 455.032 4.111 50 10 JIGE C[C@@H](Br)[C@@H]1CCN1S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2125818663 RAEYCMUIOQADHG-LDWIPMOCSA-N 451.995 4.302 50 10 JIGE CC(C)N(CCOCCBr)C(=O)c1cccc(Br)c1Br 2148771199 SCROKQSQOVQLBC-UHFFFAOYSA-N 472.015 4.474 50 10 JIGE CCCN(CC(F)(F)F)S(=O)(=O)c1cc(CBr)sc1Br 2179791460 RJAOOSLRNNUTGE-UHFFFAOYSA-N 459.147 4.369 50 10 JIGE CCOc1cc(C=NNC(=O)C(=Cc2cccs2)NC(=O)c2ccccc2)cc(Cl)c1O 2296734186 PQZFGCNDDNCCHO-UHFFFAOYSA-N 469.950 4.427 50 10 JIGE O=C(Cc1ccccc1Br)N[C@H](CCBr)COCc1ccccc1 2303546564 GGRMKGRLNFYPKT-QGZVFWFLSA-N 455.190 4.478 50 10 JIGE COc1ccc(Cn2cccc(C(=O)NN=Cc3ccc(OC(C)C)c(Cl)c3)c2=O)cc1 2323656431 YDSLNHBXYOAHAN-UHFFFAOYSA-N 453.926 4.110 50 10 JIGE CC[C@H](NC(=O)C(C#N)=CNc1ccc(N2CCN(C)CC2)cc1)c1ccc2c(c1)CCCC2 2325092311 LVOUCLQJSGUKAE-MHZLTWQESA-N 457.622 4.404 50 10 JIGE COCCOC[C@@H](Br)CCc1ccc(I)c(Br)c1 2325209418 NVXAPUOADQHSCX-NSHDSACASA-N 491.989 4.413 50 10 JIGE COC(=O)[C@H](Br)C1(Oc2cc(Cl)c(C)cc2I)CCC1 2361568665 RKLJTIALJCFXBS-LBPRGKRZSA-N 473.532 4.491 50 10 JIGE COc1cc(/C=N/NC(=O)COc2ccc3ccccc3c2Br)cc(OC)c1OC 12575673 HWGRXNMPFRZYDY-WYMPLXKRSA-N 473.323 4.157 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1[C@@H]2CC[C@@H]1CC(Br)C2 160485423 PUPLSJKQQKJZJK-GHMZBOCLSA-N 488.039 4.291 50 10 JIGE COCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc3c(c2)C[C@@H](C)O3)C1=O 214284814 SFXRRWHFHFMWBT-BEXDPUPVSA-N 494.551 4.101 50 10 JIGE O=C(NN=Cc1ccc2ccccc2c1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254556670 XGNVHZJZQZQELI-SZULKLODSA-N 463.493 4.490 50 10 JIGE C[C@@H](Br)[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)c(Br)s2)C1 688927751 TXETZZROKACGEK-HTQZYQBOSA-N 451.633 4.348 50 10 JIGE N#CCCn1cc(/C=C(\C#N)C(=O)NC[C@H]2CCN(CC(F)(F)F)C2)c(-c2ccc(Cl)cc2)n1 726527032 DGJCTFYAWALNOB-VHWUNXFSSA-N 490.917 4.025 50 10 JIGE Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)c3c[nH]c4cc(Cl)ccc34)c2)c(C)c1 726980282 VNOMDZKQZZCLFE-UHFFFAOYSA-N 496.976 4.314 50 10 JIGE O=C(NCc1ccc(Cl)cc1)C(=O)NN=Cc1ccccc1OCc1ccccc1Cl 1084280944 JCHCSBCGWNCQNJ-UHFFFAOYSA-N 456.329 4.339 50 10 JIGE Cc1nn(-c2ccccc2)c(O)c1C=NNC(=O)CN(Cc1ccccc1)Cc1ccccc1 1084287885 IOXOGCGFNORPRC-UHFFFAOYSA-N 453.546 4.039 50 10 JIGE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(CCCC)c2C)cc1 1125155474 HQEPEIMCBVHXPD-PGMHBOJBSA-N 454.596 4.257 50 10 JIGE COc1ccc(C=NNC(=O)COc2ccc(Br)c(C)c2)cc1Br 1772754000 HXXUOGHPIUETOU-UHFFFAOYSA-N 456.134 4.058 50 10 JIGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(F)c2)[C@@H]1c1ccc(O)cc1O 1865681364 LGYFKOHNKSOKOW-JOCHJYFZSA-N 454.461 4.367 50 10 JIGE CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1cc(Br)cc(OC)c1O)C(C#N)=C(N)O2 1865696885 SVZQQMLNEKRFDH-LJQANCHMSA-N 481.350 4.438 50 10 JIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2Cl)cc(Cl)c1O 1865707419 WSVUJTVQZMEENQ-LJQANCHMSA-N 457.317 4.479 50 10 JIGE COc1cc(/C=N/NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)ccc1OCc1ccccc1F 1873795320 XLLGLDMCMYLWFT-IYAOEYEUSA-N 471.529 4.263 50 10 JIGE C[C@@H](CBr)N(Cc1ccccc1)C(=O)c1cc(I)ccc1O 1914230477 WMTVHCUYODYSAY-LBPRGKRZSA-N 474.136 4.423 50 10 JIGE C[C@H]1[C@H](Br)CCN1C(=O)c1ccc(I)c(Br)c1 1914403842 XZHQQVFNAVOFFM-IONNQARKSA-N 472.946 4.052 50 10 JIGE C[C@H](CCBr)N(Cc1ccccc1)S(=O)(=O)c1cncc(Br)c1 1915088153 GUSQAXWPGNBLBM-CYBMUJFWSA-N 462.207 4.209 50 10 JIGE O=C(N[C@H](CCCl)C(F)F)c1ccc(I)c(Br)c1 1918567628 MTRGEXHHQJFBJK-SECBINFHSA-N 452.464 4.046 50 10 JIGE COCC1(CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2I)CCCCC1 1945637493 QOXOVYXGEWGPTR-HUUCEWRRSA-N 453.361 4.023 50 10 JIGE Br[C@H](c1cc(I)cc2c1OCC2)[C@H]1C[C@H]1Br 1991401780 MZXLTBZTZVPPGI-GDPRMGEGSA-N 457.931 4.446 50 10 JIGE O=C(OCc1ccccc1)N1CCC2(CC1)CCN2CC1(CBr)CCOCC1 2044699268 JHQLZHAVPWZSFN-UHFFFAOYSA-N 451.405 4.055 50 10 JIGE O=C(CBr)c1cc(Cl)c(I)c(I)c1 2060091533 CJKZUBZZXDUYLN-UHFFFAOYSA-N 485.284 4.127 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CCC=C[C@H]1CBr 2061975149 OMBPSLVADZQPIF-JTQLQIEISA-N 484.957 4.219 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CC2(CC2)C[C@@H]1CCl 2099153266 DYHLTMBQLSUMQA-SNVBAGLBSA-N 454.533 4.287 50 10 JIGE CC1(C)CN(Cc2ccccc2)CCN(S(=O)(=O)c2cc(CBr)cs2)C1 2123241520 KKVHZTQIOSHETK-UHFFFAOYSA-N 457.459 4.176 50 10 JIGE O=S(=O)([C@H]1C[C@H](OCc2ccccc2)C1)N1CCC2(CCC(CBr)CC2)C1 2161296679 DEVAZANSZHMISQ-CRBDKVFTSA-N 456.446 4.341 50 10 JIGE CS(=O)(=O)C1(COc2c(Br)cc(CBr)cc2Br)CCC1 2167886498 AYFCWFFMIOEKLW-UHFFFAOYSA-N 491.039 4.453 50 10 JIGE O=C(c1csc(Br)c1Br)N1C[C@@H](Br)C2(CCOCC2)C1 2174373695 KPAYLDKQKNNNEW-SECBINFHSA-N 488.039 4.289 50 10 JIGE CC[C@H]1CN(S(=O)(=O)c2ccc(CBr)c(C)c2)CCN1Cc1ccccc1 2179784637 BSIYOALBPNRDDD-FQEVSTJZSA-N 451.430 4.175 50 10 JIGE Cc1c(CBr)cccc1S(=O)(=O)N1CCN(Cc2ccccc2)C(C)(C)C1 2179794984 MJRXDDDHNLEPSJ-UHFFFAOYSA-N 451.430 4.175 50 10 JIGE O=C(NC[C@@]12CCC[C@]1(CBr)C2)c1cc(I)ccc1F 2208035668 GSOBMEIBTXZUPN-CABCVRRESA-N 452.105 4.115 50 10 JIGE CC1(C)OCCN(C(=O)c2scc(Br)c2Br)[C@@H]1CBr 2267737731 DXJSITWXXPWVRU-MRVPVSSYSA-N 476.028 4.288 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N[C@H](CBr)CC(F)F 2277934836 KWGINWXRFYGOQT-JTQLQIEISA-N 463.942 4.289 50 10 JIGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCC#N 2313568846 ZEPUSPALLPXVFW-UHFFFAOYSA-N 495.377 4.006 50 10 JIGE COc1ccccc1NC(=O)C(C#N)=Cc1c(Oc2ccc(F)cc2)nc2c(C)cccn2c1=O 2314532283 IUBWJYKJWCZWEW-UHFFFAOYSA-N 470.460 4.489 50 10 JIGE COCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccccc2)C(C)=C(C#N)C1=O 2314618768 UBKMFOSPCAXSOF-UHFFFAOYSA-N 452.514 4.168 50 10 JIGE CCOc1ccc(C=C(C#N)C(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2)cc1OC 2314754289 OTDFHZHPGCSANL-UHFFFAOYSA-N 497.507 4.423 50 10 JIGE CCCOc1ccc([C@H](CC(=O)O)NC(=O)C(C#N)=Cc2ccc(Br)cc2)cc1OC 2329657430 SMJSXDLZSYSFFZ-IBGZPJMESA-N 487.350 4.486 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1C[C@@]2(CBr)CC[C@H]1C2 2336473647 OQJOOZOAWZDYHE-HZMBPMFUSA-N 454.533 4.334 50 10 JIGE Cc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2Cl)cc1Br 13977998 XVNASWSXDDJXDG-UHFFFAOYSA-N 476.552 4.013 50 10 JIGE CCOc1ccc(NC(=O)CCC(=O)NNC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)cc1 14038671 KHVPNCOZKPDFAM-IBGZPJMESA-N 475.545 4.086 50 10 JIGE O=C(Cc1cccc2ccccc12)NNC(=S)NC(=O)c1ccc(OCCc2ccccc2)cc1 14041899 WYWUVCHUYRJWFY-UHFFFAOYSA-N 483.593 4.340 50 10 JIGE CCOC(=O)c1c(NC(=O)N/N=C/c2cc(Br)ccc2O)sc2c1CCC2 40853822 UWSPXEYWQMSKLJ-AWQFTUOYSA-N 452.330 4.037 50 10 JIGE CCOc1cc(/C=N/NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)ccc1O 48572706 QMGOKHMFPHXUTL-ZVHZXABRSA-N 473.938 4.009 50 10 JIGE Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)COc3c(C)cc(C)cc3C)cc2)cc1 59159016 QTGLVPXFABFWCI-CVKSISIWSA-N 466.559 4.217 50 10 JIGE CCCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(CC)cc2)cc1 100154497 HNFVAJILDFZHAO-UHFFFAOYSA-N 471.623 4.313 50 10 JIGE C[C@@H](CCBr)CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 136699738 OPCNDFACPBERKU-ZETCQYMHSA-N 454.011 4.455 50 10 JIGE CCOC(=O)c1ccc(N/C=C(/C#N)C(=O)Nc2ccc(I)cc2C)cc1 217253683 KPOHSOKHUUYJKZ-QINSGFPZSA-N 475.286 4.234 50 10 JIGE CCn1c(SCC(=O)NN=Cc2cccc([N+](=O)[O-])c2)nnc1-c1ccc(C(C)(C)C)cc1 254493642 QRSXDWDTLZBZFD-UHFFFAOYSA-N 466.567 4.413 50 10 JIGE COC(=O)c1ccc(C=NNC(=O)c2cc(-c3ccc(OCc4ccccc4)cc3)n[nH]2)cc1 254783801 XOBOITNPAFVTOY-UHFFFAOYSA-N 454.486 4.206 50 10 JIGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3cccc(C)c3)cc2)cc1 254794049 AKMMCUGRCLEGGK-UHFFFAOYSA-N 459.502 4.092 50 10 JIGE Cc1ccc(I)cc1NS(=O)(=O)c1ccc(CBr)cc1 312383935 KCIYXSXFOZRMCC-UHFFFAOYSA-N 466.138 4.295 50 10 JIGE O=C(N[C@@H](CBr)CC(F)F)c1scc(Br)c1Br 717769110 QTEULNFFQRCOOV-SCSAIBSYSA-N 455.944 4.422 50 10 JIGE CCCCCn1nc(C(=O)NNC(=O)[C@@H]2C[C@@H]2c2cccc3ccccc23)c2ccccc2c1=O 730767621 DMZKXBJJLNCDFO-DNQXCXABSA-N 468.557 4.305 50 10 JIGE Cc1ccc(S(=O)(=O)Oc2ccc(C=NNC(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1 1084033646 VYUSPBYJWBZZPJ-UHFFFAOYSA-N 452.576 4.429 50 10 JIGE C/C(=C\c1cccc(Cl)c1)C(=O)NNc1nc2ccccc2c(=O)n1CCCOC(C)C 1444075761 FCVRJZFMZQLRLD-SAPNQHFASA-N 454.958 4.412 50 10 JIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cc(C)ccc2C)ccc1O 1865706099 NOBSGBMZCLBHQN-LJQANCHMSA-N 470.451 4.499 50 10 JIGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(OC)c(OC)c1)C(C#N)=C(N)O2 1865707985 LCZSEMWPDYPXMV-HXUWFJFHSA-N 481.350 4.433 50 10 JIGE CCC[C@H](NC(=O)Cc1nc(-c2ccc3c(c2)OCO3)oc1C)C(=O)Nc1ccc(SC#N)cc1 1867192449 UDXGIDVSDAPETA-IBGZPJMESA-N 492.557 4.418 50 10 JIGE N#C/C(=C(/O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1nc(-c2ccc3c(c2)OCCO3)cs1 1872750347 CCWHUQKCZILFII-LNUHTHKGSA-N 459.527 4.423 50 10 JIGE C[C@H]1C[C@H](CBr)CN(c2ncc(I)cc2Br)C1 2015758402 HGYYCVUEMYAOMR-DTWKUNHWSA-N 473.978 4.306 50 10 JIGE CCCCCC[C@@H]1[C@H](CC[C@@H](O)CCC)C=C2[C@@]3(C)CC4=C(C(=O)OC4=O)[C@H]1[C@@]2(OC)OC3=O 2080450590 YOJPQRLCNIGWGF-GOXYPJLHSA-N 474.594 4.376 50 10 JIGE CCN1CCC[C@@H]([C@@H](Cl)c2scc(Br)c2Br)S1(=O)=O 2089528764 VRLFFQJJEWQBEF-WCBMZHEXSA-N 451.633 4.367 50 10 JIGE O=C(NC[C@@H](Br)CBr)c1cc(C(F)(F)F)ccc1Br 2116367221 RKTBFBLXHSFIFI-ZETCQYMHSA-N 467.905 4.356 50 10 JIGE O=C(c1cc(Br)ccc1I)N1[C@H]2CC[C@@H](C2)[C@@H]1CBr 2122173669 VWIXRNKKYGATKX-FWDPORAESA-N 498.984 4.442 50 10 JIGE CSCC[C@H](Cl)CCNS(=O)(=O)c1cc(Br)ccc1Br 2146556383 WRMPZSBYZZIIJQ-SNVBAGLBSA-N 465.660 4.241 50 10 JIGE C[C@H]1CN(S(=O)(=O)c2ccc(CCl)c(Br)c2)[C@@H](C)CN1Cc1ccccc1 2152184587 MHJXUKVOGXSHIA-HOTGVXAUSA-N 471.848 4.471 50 10 JIGE COc1ccc([C@H](Br)c2cc(I)sn2)c(OC)c1OC 2176535674 AYBGZOAWHIXKKQ-NSHDSACASA-N 470.126 4.258 50 10 JIGE O=C(NCCCCCCI)c1cc(Br)ccc1[N+](=O)[O-] 2185666821 APGWNEBXOPSJEA-UHFFFAOYSA-N 455.090 4.083 50 10 JIGE O=C(N[C@@H](CBr)C[C@H]1CCOC1)c1ccc(Br)cc1Br 2195479331 PIHARKYLWBULFW-MWLCHTKSSA-N 469.999 4.132 50 10 JIGE CN(C[C@H]1C[C@H](Br)C1)C(=O)[C@H]1C[C@@H](C(F)(F)F)CCN1C(=O)OC(C)(C)C 2196915323 XIFWBJLOQHJJMO-XDQVBPFNSA-N 457.331 4.196 50 10 JIGE Clc1cc(CN2C[C@@H](CBr)OC3(CCC3)C2)ccc1I 2208031092 XPJYHRPHKZSVQR-GFCCVEGCSA-N 470.576 4.463 50 10 JIGE Clc1ccc(I)c(CN2C[C@@H]3OCCC[C@@]3(CBr)C2)c1 2239161257 MDNGIPNCSWPHQZ-LSDHHAIUSA-N 470.576 4.321 50 10 JIGE CC(C)(C)OC(=O)N1C[C@@H](I)[C@H](OC2CCN(Cc3ccccc3)CC2)C1 2242040745 YFAWRUYPAIEFOM-RTBURBONSA-N 486.394 4.091 50 10 JIGE CC1([C@H](Br)c2c(F)cc(Br)c(F)c2Br)CS(=O)(=O)C1 2272734557 MOLWDADXWIOUGK-SNVBAGLBSA-N 482.966 4.361 50 10 JIGE CN(C[C@H](Br)C1CC1)C(=O)Cc1cc(Br)cc(Br)c1 2277914979 JJOFXDDCXFZWAR-ZDUSSCGKSA-N 454.000 4.386 50 10 JIGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)C=Cc1cccc2ccccc12 2313620674 JZUYCDXCTXZZCD-SFHVURJKSA-N 461.587 4.467 50 10 JIGE CC1(C)CO[C@@H](CCl)CN1Cc1ccc(I)c(Br)c1 2349850245 ADIROICKHZMTKG-NSHDSACASA-N 458.565 4.272 50 10 JIGE CC[C@H](Cl)[C@H]1CCCCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364214957 QQAPIBFUAFSWKP-VQTJNVASSA-N 455.020 4.045 50 10 JIGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc([C@@H](C)CC)cc2)cc1 14030203 WYVWDLNGFQUGOH-KRWDZBQOSA-N 457.596 4.094 50 10 JIGE Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)NNC(=O)c1cn(C)c2ccccc12 24476223 MDXBOCJMACSDRT-UHFFFAOYSA-N 456.333 4.113 50 10 JIGE Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)NCCc2ccccc2)c(C)c1 33794646 FJGSZDORXJCORL-XLNRJJMWSA-N 464.525 4.370 50 10 JIGE CC1=C(C(=O)N/N=C/c2ccc(Cl)cc2)[C@H](c2ccc(Br)cc2)NC(=S)N1 35166967 RXGXIVATRJFXBU-KQFRHJRUSA-N 463.788 4.046 50 10 JIGE C=CCOc1ccc(/C=C2/C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1OCC 38608539 WPTBTKQIJROBCU-RGVLZGJSSA-N 472.497 4.171 50 10 JIGE CCOC(=O)c1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2OC)CCC3)cc1 40813188 JSRNZPVSSZIECI-ZTKZIYFRSA-N 489.528 4.496 50 10 JIGE COc1c(C(=O)N/N=C2/C(=O)N(Cc3cccc([N+](=O)[O-])c3)c3ccccc32)ccc2ccccc12 59147280 HKGSWXUGIHMIAB-ZZIIXHQDSA-N 480.480 4.438 50 10 JIGE COc1cc(/C=C(/C#N)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCc1ccc(F)cc1 59282087 MVMUIVJIPYMGJY-JMIUGGIZSA-N 460.461 4.365 50 10 JIGE COc1cc(/C=N\NC(=O)c2ccc(N)cc2)ccc1OCc1ccc(Br)cc1 169900182 XGXVHJZXTHGSBL-MXAYSNPKSA-N 454.324 4.383 50 10 JIGE CCC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@H](C)[C@]2(O)C(=O)CCl)[C@@H]2C[C@H](F)C3=CC(=O)C=C[C@]3(C)[C@@]12F 204884210 GFVRBARAKYZKQQ-BZMPXQBFSA-N 484.967 4.051 50 10 JIGE CCCN(CCBr)C(=O)c1cc(Br)ccc1I 233048383 RWDWOYOOMGXBJI-UHFFFAOYSA-N 474.962 4.301 50 10 JIGE O=C(c1cc(Br)sc1Br)N(CCBr)CC(F)F 236263458 RIXCZXVKHWRBCM-UHFFFAOYSA-N 455.944 4.375 50 10 JIGE CC(=NNC(=O)c1ccc(Cn2cc(Cl)cn2)cc1)c1ccc(NC(=O)c2ccncc2)cc1 252625280 QGPMIAWVNVQELQ-UHFFFAOYSA-N 472.936 4.386 50 10 JIGE COc1cc(Br)ccc1OCC(=O)NN=Cc1c(C)nn(-c2ccccc2)c1Cl 252642508 ZMJZUSAWFHAAQV-UHFFFAOYSA-N 477.746 4.134 50 10 JIGE O=C(NC[C@H](Br)C1CCC1)c1cc(I)ccc1Br 315944668 ZENGZGQGYUPVNJ-LBPRGKRZSA-N 486.973 4.347 50 10 JIGE C[C@H]1CCCN(C(=O)c2cc(I)ccc2O)[C@@H]1CCBr 697199598 INWFATBCIMPANR-GXFFZTMASA-N 452.130 4.023 50 10 JIGE N#CCCn1cc(/C=C(\C#N)C(=O)OCc2cc(F)cc3c2OCOC3)c(-c2ccccc2)n1 760457111 DFPUOBRGXZCMJP-GIJQJNRQSA-N 458.449 4.120 50 10 JIGE Cc1cc(I)ccc1NC(=O)CCC(=O)NN=Cc1c(F)cccc1Cl 1084433587 ASWGMUSNZMJARQ-UHFFFAOYSA-N 487.700 4.261 50 10 JIGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2nc3c(s2)C[C@@H](C(C)(C)C)CC3)cc1 1204145433 WAJQKHWLUFXVDM-HOCLYGCPSA-N 458.584 4.117 50 10 JIGE C=CCOc1ccc(Br)cc1NC(=O)NNc1cc(Cl)nc(COCC)n1 1670845733 SPYCJOZIVPTSMC-UHFFFAOYSA-N 456.728 4.142 50 10 JIGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(N3CCCCCC3)cc2C)cc1 1671696023 XUXNURXXKYYPMQ-LJQANCHMSA-N 452.555 4.198 50 10 JIGE CC(=O)N(C)c1ccc(CNC(=O)NNC(=O)c2cc3c(s2)CC[C@H](C(C)(C)C)C3)cc1 1684081823 BOYHEBXZUAPXFG-SFHVURJKSA-N 456.612 4.026 50 10 JIGE CCCc1nn(Cc2ccccc2)c2c1[C@H](c1cc(OC)c(OC)cc1OC)C(C#N)=C(N)O2 1865711250 UBZMHLVGZLHAJO-HSZRJFAPSA-N 460.534 4.128 50 10 JIGE CN(C[C@H]1C[C@@H]1Br)C(=O)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2020198438 MSBHZYDIKHBQLQ-UXHICEINSA-N 494.474 4.178 50 10 JIGE O=C(NC[C@@H](CCl)C(F)(F)F)c1cc(Br)ccc1I 2105271861 SRRRTCKUERGABB-ZCFIWIBFSA-N 470.454 4.201 50 10 JIGE O=S(=O)(c1ccc(Cl)c(CBr)c1)N1CC[C@H](COCc2ccccc2)C1 2123209120 GOHMPKPNNIQBEK-INIZCTEOSA-N 458.805 4.462 50 10 JIGE C[C@H](Br)C[C@@H]1COCCN1Cc1cc(Cl)ccc1I 2128885640 VWQXHPDGSGFOGX-GXFFZTMASA-N 458.565 4.319 50 10 JIGE CN(C(=O)Cc1ccccc1I)C1CCC(CBr)CC1 2171101629 KLQHCIYZIBAKRO-UHFFFAOYSA-N 450.158 4.246 50 10 JIGE CN(Cc1ccccc1)CC1CCN(S(=O)(=O)c2ccccc2CBr)CC1 2179815590 FPZZLZSZZJNPCZ-UHFFFAOYSA-N 451.430 4.114 50 10 JIGE C[C@H]1SCCC[C@@H]1N(C)S(=O)(=O)c1cc(CBr)sc1Br 2197290384 HTFNFDFQTKYDEQ-SCZZXKLOSA-N 463.282 4.310 50 10 JIGE O=C(Cc1ccc(Br)cc1Cl)N1C[C@H](Br)[C@H](Br)C1 2221697101 IOEGVUCKVSLSKC-AOOOYVTPSA-N 460.391 4.014 50 10 JIGE ClCCc1nc2cc(I)ccc2n1Cc1conc1Br 2239120509 MAMQKDRPDCCXAT-UHFFFAOYSA-N 466.504 4.221 50 10 JIGE COc1ccc([C@H](Br)c2cc(Br)n(C)n2)cc1I 2257356444 LHVWBFQHADQBEP-LBPRGKRZSA-N 485.945 4.280 50 10 JIGE N#CC(=Cc1cc(Br)ccc1OCc1ccccc1C#N)C(=O)NC[C@H]1CCCO1 2293601517 FKENRAWSTGDPGJ-OAQYLSRUSA-N 466.335 4.102 50 10 JIGE BrC[C@@H]1CSCCN1Cc1ccc(I)c(Br)c1 2306225997 XQSZOQFDRPRCRE-SNVBAGLBSA-N 491.030 4.366 50 10 JIGE CC(C)(C)OC(=O)N1CCC(CI)(OC[C@@H]2COC3(C)CC2C3)CC1 2318085718 SGSXFWLTWTYCIR-CSLYMUCUSA-N 465.372 4.023 50 10 JIGE COc1c(Br)cc(C=NNC(=O)c2ccc(C)cc2)c(OC)c1Br 2323076247 TZHZDWSWJZJJKA-UHFFFAOYSA-N 456.134 4.301 50 10 JIGE COCCOc1ccc(C=C(C#N)C(=O)NC[C@@H](c2c(F)cccc2Cl)N2CCCC2)cc1 2331122134 PPNXDWHYVVUCLM-QHCPKHFHSA-N 471.960 4.365 50 10 JIGE Cc1cc(CCl)nc(OCc2cc(I)ccc2Br)n1 2341552383 NUHFFYGQEPFAQG-UHFFFAOYSA-N 453.505 4.470 50 10 JIGE CCN(C[C@](C)(CI)OCc1ncc2ccccn12)C(=O)OC(C)(C)C 2352606509 CLBFKHAEWRMIKF-IBGZPJMESA-N 473.355 4.302 50 10 JIGE O=C(c1cccc(I)c1)N1CCC[C@@H](Br)[C@H]1C(F)(F)F 2370243555 OKGWGPFDQKAWKJ-MNOVXSKESA-N 462.047 4.222 50 10 JIGE O=S(=O)(N[C@@H]1C[C@H](CBr)C12CCC2)c1cc(Cl)c(Br)s1 2379716241 BTACCJAKRFFYNT-VXNVDRBHSA-N 463.644 4.396 50 10 JIGE O=C1N=C(O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc2c(c1)CCN2CCCCl 1863419 TUYDMNZCCBZQRW-QGOAFFKASA-N 488.769 4.311 50 10 JIGE Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)c1 12500700 WTOOQOOKHIAUII-UHFFFAOYSA-N 474.586 4.025 50 10 JIGE Cc1cc(C(=O)N/N=C2\C(=O)N(Cc3ccc(F)cc3)c3ccc(Br)cc32)c(C)o1 20344788 HTRTYOILZDKISP-QQTULTPQSA-N 470.298 4.479 50 10 JIGE CCCOc1ccc2cc(C(=O)NNC(=O)C(c3ccccc3)c3ccccc3)c(=O)oc2c1 33811346 XIKKCCJHXYURCZ-UHFFFAOYSA-N 456.498 4.175 50 10 JIGE COc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2O)CCC3)c(OC)c1 40826426 DUODTCOFDHSQDI-OVVQPSECSA-N 463.490 4.034 50 10 JIGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)C(c1ccccc1)c1ccccc1 41011453 TXIGYMAKIAZADG-HKOYGPOVSA-N 482.536 4.198 50 10 JIGE COc1c(C(=O)N/N=C2/C(=O)N(Cc3ccc([N+](=O)[O-])cc3)c3ccccc32)ccc2ccccc12 59151769 IROMVRDSOMYWPA-ZZIIXHQDSA-N 480.480 4.438 50 10 JIGE COc1cc([C@@H](C(=O)NC2CCCCC2)N(Cc2cccs2)C(=O)CCl)ccc1O 97914631 AZBZAPWICAHAQA-NRFANRHFSA-N 450.988 4.220 50 10 JIGE CCCCOCCCN/C=C(/C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216489250 DMAIFTUAIZOMQL-RWEWTDSWSA-N 460.622 4.124 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CCC[C@@H]1CBr 232464782 WZJNEDAFVNFMCJ-SECBINFHSA-N 472.946 4.053 50 10 JIGE Nc1ccc(I)cc1[C@@H]1CN(Cc2ccccc2)C[C@H]1CBr 382715884 KGDSUQVCIDFDPZ-RHSMWYFYSA-N 471.180 4.484 50 10 JIGE CN1C[C@H](CI)[C@H](c2cc(Cl)ccc2I)C1 382719467 MOSXGIPHHIGXCT-GZMMTYOYSA-N 461.512 4.025 50 10 JIGE Cc1cccc(C)c1OCC(=O)N/N=C1/C(=O)N(CN2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c2ccccc21 504123279 RBTZDZVPVXDIFQ-AWUOILGQSA-N 488.632 4.407 50 10 JIGE O=S1(=O)CCC(C(CBr)(CBr)c2cccc(Br)c2)CC1 701633623 DLMHKOXHXWFTKW-UHFFFAOYSA-N 489.067 4.302 50 10 JIGE COc1ccccc1C(C)(C)CNC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1 745154996 HHYSKOJRIYXROC-PGMHBOJBSA-N 453.546 4.473 50 10 JIGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Br 746181858 HNTUQYFTYDVRNV-UHFFFAOYSA-N 495.351 4.090 50 10 JIGE N#C/C(=C\c1ccccc1)C(=O)NN=C(c1ccccc1)c1ccc(N2CCCCS2(=O)=O)cc1 1081823637 LOZGWJLPHIYUKK-CFHRAPJLSA-N 484.581 4.092 50 10 JIGE CCN(CC)c1ccc(C=NNC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)cc1 1084412456 IGGBSAQTIPMAHS-UHFFFAOYSA-N 478.618 4.187 50 10 JIGE Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)oc2c1C(=NNC(=O)c1ccccc1)CCC2 1772744982 PLDZXEWGFFKJHI-UHFFFAOYSA-N 474.536 4.160 50 10 JIGE Cc1c(C(=O)NNC(=O)c2ccc(F)cc2)oc2c1C(=NNC(=O)c1cccc3ccccc13)CCC2 1772747826 KZZVZAUQONJPRI-UHFFFAOYSA-N 498.514 4.426 50 10 JIGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@@H](c2ccc(O)cc2O)C(C#N)=C(N)O3)cc1 1865681823 XVCVMFKTTVQDRA-QHCPKHFHSA-N 484.487 4.375 50 10 JIGE Cc1nn(Cc2cccc(F)c2)c2c1[C@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865696698 QGVLCNPXPWECNN-LJQANCHMSA-N 455.287 4.065 50 10 JIGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@@H](c2ccc(F)cc2F)C(C#N)=C(N)O3)cc1 1865702034 LBDGEYSZIZUCBM-NRFANRHFSA-N 457.440 4.439 50 10 JIGE CC1(C)CN(C(=O)c2ccc(I)c(Cl)c2)C[C@@H]1CBr 1914532321 UNGNTHIXLDGIQY-JTQLQIEISA-N 456.549 4.438 50 10 JIGE CN(c1ncc(I)cc1Br)C1(CCBr)CC1 1988600646 YGDFTCVDMDFUBH-UHFFFAOYSA-N 459.951 4.203 50 10 JIGE CN(C[C@H](Br)COCc1ccccc1)C(=O)c1ccc(O)c(Br)c1 2003587908 CWTSGWVIIOWKOG-HNNXBMFYSA-N 457.162 4.207 50 10 JIGE CSC(=C(C#N)C(=O)c1ccc(Cl)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 2040751283 YJCABWHVDQRYMW-UHFFFAOYSA-N 455.967 4.167 50 10 JIGE Cc1c(Br)sc([C@@H](Br)[C@@H]2[C@H]3CS(=O)(=O)C[C@H]32)c1Br 2054218154 MRQCSTHJTDMVHH-SZACMFPPSA-N 479.053 4.308 50 10 JIGE Cn1nccc1CC(CBr)(CBr)c1ccc(Br)cc1 2094277372 WJZIUYHFEFYTLA-UHFFFAOYSA-N 451.000 4.453 50 10 JIGE CC1(C)[C@@H](CBr)OCCN1Cc1cc(Cl)ccc1I 2103389176 KGNKHZDBGZMQAM-CYBMUJFWSA-N 458.565 4.319 50 10 JIGE O=C(N[C@H]1C[C@H]2C[C@H]1C[C@@H]2Br)c1ccc(I)c(Br)c1 2104399629 CTPNYZPIEIDLSQ-QYTUQVAYSA-N 498.984 4.346 50 10 JIGE CC[C@]1(CBr)COCCN1C(=O)c1csc(Br)c1Br 2112707014 AUINVMXRLUNQMH-LBPRGKRZSA-N 476.028 4.289 50 10 JIGE CC(C)(C)OC(=O)N1CCC(CI)(OC[C@H]2C[C@@H]2C2CCOCC2)CC1 2135988521 DNWUDOPWKHPOJE-IAGOWNOFSA-N 479.399 4.270 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CC[C@@H]2[C@H](CCl)[C@@H]2C1 2142278524 DTKZMKFAYZRUPQ-ADEWGFFLSA-N 454.533 4.001 50 10 JIGE O=C(N[C@H]1C[C@H]2C[C@H]1C[C@@H]2Cl)c1ccc(Br)cc1I 2142286325 ZANXYKHVPDGFGU-YXPMNYRZSA-N 454.533 4.189 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1CC2(CC2)C[C@@H]1CBr 2155369465 VOJMHYMCODGIFF-SNVBAGLBSA-N 488.039 4.150 50 10 JIGE CC1(C)CN(Cc2ccccc2)CCN1S(=O)(=O)Cc1ccc(CBr)cc1 2179781326 WKAOMAJUOSELIM-UHFFFAOYSA-N 451.430 4.008 50 10 JIGE CN(Cc1ccccc1)CC1CCN(S(=O)(=O)c2cccc(CBr)c2)CC1 2179812910 SZAIUAUMBOGUSF-UHFFFAOYSA-N 451.430 4.114 50 10 JIGE CC(C)(C)[C@H]1[C@H](Br)CCN1C(=O)c1cc(I)ccc1F 2185105321 BPECWGAQZVCVTE-DGCLKSJQSA-N 454.121 4.454 50 10 JIGE Cc1cc(Br)c(C(=O)NCCSSCCNC(=O)OC(C)(C)C)s1 2215963110 NGXKJDLZZGHUGO-UHFFFAOYSA-N 455.465 4.455 50 10 JIGE Cc1nc(CC(CBr)(CBr)c2cccc(Br)c2)nn1C 2236490742 GEOZFVIOCKRBOJ-UHFFFAOYSA-N 466.015 4.156 50 10 JIGE ClCc1nc2c(Br)cccc2n1CCn1cnc(I)c1 2237143162 GRBCNJWVLAMBSG-UHFFFAOYSA-N 465.520 4.039 50 10 JIGE COc1cc2c(cc1OC)C1=C(C#N)CCC(=NS(=O)(=O)c3cccc(Cl)c3)N1CC2 2297318038 IDCHNWYLAKJAAZ-UHFFFAOYSA-N 457.939 4.031 50 10 JIGE O=C(Cc1ccc(Br)cc1)N[C@@H](CCBr)COCc1ccccc1 2303545771 WQFDHIRIWCTERS-SFHVURJKSA-N 455.190 4.478 50 10 JIGE N#CC(=Cc1cc(Br)c(O)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 2313545732 BISKXYOYVWMJJQ-UHFFFAOYSA-N 491.183 4.173 50 10 JIGE CC(C)(C)OC(=O)N1CCC(CI)(OC[C@H]2C[C@H]3[C@@H](C2)C3(F)F)CC1 2320845492 WSJYJZOMYDBZBV-ZSOGYDGISA-N 471.326 4.499 50 10 JIGE Cc1cc(Br)cc(CCl)c1OCc1nn(C)cc1I 2341849895 BQNWIWUUPQWJSU-UHFFFAOYSA-N 455.521 4.413 50 10 JIGE Clc1ccc(CN2C[C@@H](Br)C[C@]3(CCCO3)C2)cc1I 2362380328 RFKQYIOOAUAOIL-SWLSCSKDSA-N 470.576 4.463 50 10 JIGE CC(C)COc1cccc(C(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c1 10283416 QAZGMOIGUUWSSK-CYBMUJFWSA-N 484.405 4.131 50 10 JIGE Cc1cc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccc3c(c2)OCO3)c(C)n1-c1ccc(F)cc1 11459066 YGUIAFUJGGZIRU-VCHYOVAHSA-N 461.449 4.051 50 10 JIGE Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=S)NC(=O)c1ccc(C(C)(C)C)cc1 12573753 WSPYNGOJOCWKHD-UHFFFAOYSA-N 475.014 4.000 50 10 JIGE CCCCOc1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2Br)cc1 14029943 QFDBRXKIUKDONA-UHFFFAOYSA-N 455.736 4.121 50 10 JIGE N#C/C(=C/c1ccc(OC(=O)c2ccccc2Br)cc1)C(=O)NCc1ccco1 35254407 JWFJQQIWPNRILG-VBKFSLOCSA-N 451.276 4.485 50 10 JIGE CCN(c1cccc(C)c1)c1ncnc(NNC(=O)c2ccc(Br)cc2)c1[N+](=O)[O-] 40572459 QSHMYAXJNXFNMM-UHFFFAOYSA-N 471.315 4.371 50 10 JIGE Cc1ccc(C(=O)NNc2ncnc(Nc3ccc(Br)cc3F)c2[N+](=O)[O-])cc1 40657483 RNHZQZVESRTNRA-UHFFFAOYSA-N 461.251 4.095 50 10 JIGE COc1cc([N+](=O)[O-])ccc1-n1nc(C)c(/C=N/NC(=O)c2cc3ccccc3cc2O)c1C 59152552 ZSCMIFDRIROLBL-DHRITJCHSA-N 459.462 4.029 50 10 JIGE C=CCNC(=O)/C(C#N)=C1\S[C@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(OC)cc1 101241668 LRBKVWKSMRERON-LBMWUGKUSA-N 453.951 4.077 50 10 JIGE CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)c(OC)c1 206311594 RKSJQXQXDZZTJT-UYRXBGFRSA-N 496.475 4.185 50 10 JIGE O=C(NN=Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)Nc1nnc(-c2ccccc2)s1 254791153 QKWFXRYLIHKLLG-UHFFFAOYSA-N 493.552 4.147 50 10 JIGE O=C(C1CC1)[C@@H](Br)Cc1cc(Br)ccc1I 300908906 QAJSIFBWKSSNNT-JTQLQIEISA-N 457.931 4.339 50 10 JIGE COc1ccc([C@@H](Cl)c2cnn(C)c2I)c(OC)c1Br 381741538 BSPWKKBARSOHEJ-LLVKDONJSA-N 471.520 4.133 50 10 JIGE COc1cc(Br)c([C@@H](Br)c2nn(C)cc2Br)cc1OC 693042574 FFWKPCLGZYAJNH-GFCCVEGCSA-N 468.971 4.447 50 10 JIGE C[C@H]1CN(C(=O)c2ccc(I)c(Cl)c2)C[C@]1(C)CBr 694707240 INTZDHLADZVXBI-XPTSAGLGSA-N 456.549 4.438 50 10 JIGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CC[C@H]2CC[C@@H](Br)[C@H]1C2 722210795 HSMZEGXHMOXKCZ-NQMVMOMDSA-N 463.644 4.491 50 10 JIGE CCOc1cc(C=NNC(=O)c2cccc(Cl)c2)ccc1OS(=O)(=O)c1ccccc1 725438857 XIFIANPWWNVPLB-UHFFFAOYSA-N 458.923 4.270 50 10 JIGE COc1ccccc1OCC(=O)NN=Cc1cc(C)n(-c2ccc(Br)cc2)c1C 1084610847 BMQQTNDJNYPOSO-UHFFFAOYSA-N 456.340 4.394 50 10 JIGE Cc1nn(-c2ccccc2)c(N(C)C)c1C=NNC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 1084653136 PDTQKLJQUDEZHU-UHFFFAOYSA-N 484.535 4.402 50 10 JIGE CC(C)(C)OC(=O)Nc1cccc(CNS(=O)(=O)c2ccc(CBr)cc2)c1 1260510791 RNHXZLMKORAVGR-UHFFFAOYSA-N 455.374 4.407 50 10 JIGE CC(=O)N(Cc1ccc(NC(=O)NNC(=O)c2ccc(OCCC(C)C)cc2)cc1)C(C)C 1310301669 XTVQWBIXIBUYMT-UHFFFAOYSA-N 454.571 4.335 50 10 JIGE C=CCC[C@H](NC(=O)NNC(=O)Nc1ccc2c(c1)OCO2)c1ccc(C(F)(F)F)cc1 1670826776 MWWACBMVHAFOSM-INIZCTEOSA-N 450.417 4.477 50 10 JIGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1cccc(OC)c1O)C(C#N)=C(N)O2 1865684091 MWPZGTWWEHKUDE-IBGZPJMESA-N 454.889 4.219 50 10 JIGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2)cc(OC)c1OC 1865693780 YUVHCXUSSRTCAK-KRWDZBQOSA-N 472.423 4.135 50 10 JIGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2cccc([N+](=O)[O-])c2)cc1 1865705847 HCNIRBAWGQYQKF-MRXNPFEDSA-N 457.368 4.026 50 10 JIGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n2)cc1 1872747791 UCOARSKTVUYPSQ-ZZEZOPTASA-N 476.470 4.206 50 10 JIGE O=C(N[C@H]1C[C@@H]([C@H](F)CBr)C1)c1ccc(Br)cc1Br 1906433374 GBAVYMVDXDFEHS-VFWDIBGWSA-N 457.963 4.453 50 10 JIGE Cc1c(Br)sc([C@@H](Br)C2CS(=O)(=O)C2)c1Br 1922937475 YNXJVCWDJQMCSO-ZETCQYMHSA-N 453.015 4.062 50 10 JIGE CC1(C)C[C@H](Br)CN(S(=O)(=O)c2cc(Br)ccc2Br)C1 1923190665 CUIGGGILNNVLBH-JTQLQIEISA-N 490.055 4.396 50 10 JIGE O=C(NC[C@H]1CCC2(CCC2)[C@@H]1Br)c1csc(I)c1 1924789449 IOHJJYYDNUNCCD-BXKDBHETSA-N 454.171 4.426 50 10 JIGE O=C(N[C@@H](CBr)C[C@@H]1CCCO1)c1csc(Br)c1Br 1926734874 GNCBXOVNMDQPTJ-SFYZADRCSA-N 476.028 4.336 50 10 JIGE CN(CCN(Cc1ccccc1)S(=O)(=O)N1CCCC[C@@H]1CBr)Cc1ccccc1 1984647760 ZURZGVBJAYFUPS-HSZRJFAPSA-N 494.499 4.115 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C1CC1 1987797503 XBWPMHMOUXFGSH-IRXDYDNUSA-N 461.694 4.270 50 10 JIGE CCCN(CCBr)C(=O)c1ccc(Br)cc1I 2026216821 HHEUXHOHUSMIJX-UHFFFAOYSA-N 474.962 4.301 50 10 JIGE CCOC(=O)Cc1cc(CBr)cc(Br)c1I 2054979622 XNKMNOURHQSZKK-UHFFFAOYSA-N 461.919 4.054 50 10 JIGE COc1cccc(-n2nc(CBr)c(I)c2C(F)(F)F)c1 2079257574 QKVDXLQNOXSEOW-UHFFFAOYSA-N 461.019 4.399 50 10 JIGE COC[C@](C)(CCBr)NC(=O)c1cc(Br)ccc1Br 2101776154 HGUFRZZEHPIBJG-ZDUSSCGKSA-N 457.988 4.132 50 10 JIGE C[C@H](CBr)N1CCN(Cc2c(Br)cccc2Br)CC1 2113066758 RRSJRWVNXCVBCA-LLVKDONJSA-N 455.032 4.113 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@H]2C[C@@H](Cl)C[C@H]2C1 2128655555 VTJWWZNTEFMTJO-ILWJIGKKSA-N 454.533 4.143 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CC[C@H](Cl)[C@@H]2CC[C@H]21 2133723260 OCLBFTILOTZEPF-TVYUQYBPSA-N 454.533 4.286 50 10 JIGE O=C(N[C@H]1COC2(CCC2)[C@H]1Br)c1scc(Br)c1Br 2141558688 QSHZOTMAWVDYIV-XVKPBYJWSA-N 474.012 4.088 50 10 JIGE O=C(N[C@@H]1C[C@H](CBr)[C@H]2C[C@H]21)c1ccc(Br)cc1I 2142285252 NOSCAKRKTCKVCK-GDECHXLSSA-N 498.984 4.203 50 10 JIGE O=C(N[C@@H]1C[C@H](CBr)[C@@H]2C[C@H]12)c1ccc(Br)cc1I 2142285253 NOSCAKRKTCKVCK-XKYKYCOXSA-N 498.984 4.203 50 10 JIGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1C[C@H]2C[C@]2(CBr)C1 2146319621 GTOYAALDYXBHSS-KRTXAFLBSA-N 464.006 4.161 50 10 JIGE CN(C1(CNC(=O)OC(C)(C)C)CCCC1)S(=O)(=O)c1ccc(CBr)cc1 2163054998 CBUQILGEOKGPET-UHFFFAOYSA-N 461.422 4.040 50 10 JIGE C[C@H]1CN(Cc2ccccc2)C[C@@H](C)N(S(=O)(=O)c2cccc(CBr)c2)C1 2179821474 KZFCFZSYWIYSMP-ZWKOTPCHSA-N 451.430 4.113 50 10 JIGE O=C(N[C@@H](CBr)[C@@H]1CC=CCC1)c1cc(I)ccc1F 2196155774 KVVZBVMKWGNJJK-YGRLFVJLSA-N 452.105 4.280 50 10 JIGE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1Br)C(=O)NC[C@H]1C[C@@H](Br)C1 2229134436 AJJBXFZXOOVAQD-BJJXKVORSA-N 490.236 4.175 50 10 JIGE COc1cc(F)c(CBr)c(-n2ccnc2CCCN2C(=O)c3ccccc3C2=O)c1 2283433598 TVOSIKROVSJPRY-UHFFFAOYSA-N 472.314 4.144 50 10 JIGE C[C@@]12CN(C(=O)Cc3cc(Br)cc(Br)c3)C[C@@]1(CBr)C2 2295309585 KYCYXGPNPALOEI-CABCVRRESA-N 466.011 4.388 50 10 JIGE CC(=O)OCCN1C(=O)C(=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)C(C)=C(C#N)C1=O 2296856688 LWTGSZIAHOMKEE-UHFFFAOYSA-N 459.285 4.409 50 10 JIGE CC(NNC(=O)c1ccccc1Br)=C1C(=O)N(c2ccccc2)N=C1c1ccccc1 2313682759 KBZISFTYPUZJMO-UHFFFAOYSA-N 475.346 4.409 50 10 JIGE COCCCN1C(=O)C(=Cc2ccc(OCc3ccc(F)cc3)c(OC)c2)C(C)=C(C#N)C1=O 2314619024 YKHLGCZFSLODRO-UHFFFAOYSA-N 464.493 4.042 50 10 JIGE N#CC(=Cc1ccc(Br)cc1)C(=O)Nc1ccc(I)cc1C(=O)O 2329662148 SGPWARBWHXUDMP-UHFFFAOYSA-N 497.086 4.298 50 10 JIGE COC(=O)c1ccccc1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccccc3OC)cs2)CC1=O 2331281896 FGBLSVBIZWPBPV-OAHLLOKOSA-N 475.526 4.451 50 10 JIGE COc1c(Br)cc(C)c([C@@H](Br)[C@@H](C)S(C)(=O)=O)c1Br 2339640271 WGSQBPOPSSVUND-XCBNKYQSSA-N 479.028 4.398 50 10 JIGE ClC[C@H]1C[C@H]2[C@@H](C1)OCCN2Cc1ccc(I)c(Br)c1 2377357341 MWZLFGHRVMUAQE-TUKIKUTGSA-N 470.576 4.272 50 10 JIGE Clc1ccc(I)cc1CN1C[C@@H]2CC[C@@H](CBr)O[C@H]2C1 2380515443 PUIAGNWUHKQPJA-XEGUGMAKSA-N 470.576 4.319 50 10 JIGE Cc1ccc(OCC(=O)NC(=S)NNC(=O)c2ccc(-c3ccccc3)cc2)c(Br)c1 12570958 HIMQUGZZRCTRMH-UHFFFAOYSA-N 498.402 4.139 50 10 JIGE CC(C)(C)C(=O)NNC(=O)CSc1n[nH]c(N/N=C/c2ccc3ccc4cccc5ccc2c3c45)n1 20837133 XQOUZKWTPFOMLQ-UVHMKAGCSA-N 499.600 4.434 50 10 JIGE Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)Cn1c(-c2ccccn2)nc2ccccc21 27498624 QGDRGMWCYOADGP-RWPZCVJISA-N 469.936 4.396 50 10 JIGE COC(=O)c1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)CCC2 40813042 VXDJZYKZWRQOAZ-ZXVVBBHZSA-N 490.472 4.006 50 10 JIGE COc1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)CCC2 40813055 JMLLVYHVLPYWHF-NLRVBDNBSA-N 462.462 4.228 50 10 JIGE C=CCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C\c2ccc(OCC)c(OCC)c2)c(OC)c1 103746663 DRKBCESCRAIWLJ-YJXVQIIVSA-N 476.529 4.321 50 10 JIGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(N(C)C)cc3)n2-c2ccccc2)cc1 254491880 AEKIYHHPLSZESU-UHFFFAOYSA-N 486.601 4.251 50 10 JIGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccccc3)cc2)cc1 254508013 XJHPFKOUZWRIJE-UHFFFAOYSA-N 459.502 4.174 50 10 JIGE CCC(=NNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C)cc1)c1ccc(O)cc1 254615463 CCVYPUVMBALJCQ-UHFFFAOYSA-N 472.570 4.422 50 10 JIGE CCn1c(SCC(=O)NN=Cc2cccc(OC)c2O)nnc1-c1ccc(C(C)(C)C)cc1 254756469 OSGQZUPYQLDCQE-UHFFFAOYSA-N 467.595 4.219 50 10 JIGE COc1ccc([C@@H]2c3sc(=S)[nH]c3S[C@@H]3[C@H]4C[C@@H]([C@@H]5C(=O)OC(=O)[C@@H]54)[C@H]23)cc1OC 256024395 GITDHNQDBYHNKA-XLHXWJOESA-N 461.586 4.011 50 10 JIGE CC[C@H](C)[C@@H](CO[C@]1(CI)CCCN(C(=O)OC(C)(C)C)C1)OC 384786725 WJWOFEBDJGENJE-DAYGRLMNSA-N 455.377 4.269 50 10 JIGE C[C@@H]1CN(S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)C[C@H]1Br 387519733 ACBBQXQFOLALAH-HTRCEHHLSA-N 451.995 4.160 50 10 JIGE COc1ccccc1N1C(=O)C(O)=C(C(C)=NNC(=O)c2ccccc2O)[C@H]1c1ccccc1 725431972 ATQCIABWJRHFRX-HSZRJFAPSA-N 457.486 4.107 50 10 JIGE CCc1cccc2c1OCC[C@H]2NC(=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1 726276619 XHSAQDBKANEVOY-JOCHJYFZSA-N 463.509 4.435 50 10 JIGE C#CCCCC(=O)NNC(=O)c1ccccc1SCC(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C 1178772649 ADWLJEPHRBGJQX-SVFBPWRDSA-N 458.624 4.347 50 10 JIGE C#CCCN1CCN(C(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)CC1 1544679674 AYGJQJRVZPJMGR-RCCKNPSSSA-N 454.496 4.187 50 10 JIGE C=CCOc1ccc(Br)cc1NC(=O)NNC(=O)CSc1ccc(C)cc1 1678356403 VBLBLLSGLMCVNZ-UHFFFAOYSA-N 450.358 4.267 50 10 JIGE CC(C)(C)CC(C)(C)NC[C@@H](O)COc1ccc(C(=O)NN=Cc2c[nH]c3ccccc23)cc1 1772743323 HRMDJMKTVWVPQG-OAQYLSRUSA-N 464.610 4.476 50 10 JIGE COC(=O)c1ccc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc(OC)c2)CCC3)cc1 1772748813 DXRBKMFIEBGPHE-UHFFFAOYSA-N 476.485 4.073 50 10 JIGE O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)N/N=C/c1ccc(F)c(Br)c1 1860773253 UJFZZPCFNGOOIL-YCPBAFNGSA-N 485.338 4.177 50 10 JIGE Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 1865712073 OYDFFBYETUYNTR-SFHVURJKSA-N 499.405 4.097 50 10 JIGE COc1ccc(C)cc1-c1csc(/C(C#N)=C(\O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)n1 1873920542 IBELLSPXKHMGJX-SDXDJHTJSA-N 476.470 4.124 50 10 JIGE CC(C)(C)OC(=O)N1CCC(CI)(OCC(F)(F)C(F)F)CC1 1900568131 BNUKCARUYDHHON-UHFFFAOYSA-N 455.230 4.108 50 10 JIGE C[C@]12CN(C(=O)c3cc(I)ccc3Br)C[C@@]1(CCl)C2 2109181970 JCDZDYPLUZKAEH-KBPBESRZSA-N 454.533 4.145 50 10 JIGE O=C(N[C@@H](CBr)c1ccsc1)c1ccc(F)cc1I 2119041645 XYCPEFJIXWQXJT-LBPRGKRZSA-N 454.102 4.358 50 10 JIGE C[C@H]1CN(Cc2cc(Cl)ccc2I)C[C@@H](CCBr)O1 2122788215 HAEFMSRWFOCMBG-GXFFZTMASA-N 458.565 4.319 50 10 JIGE C[C@@H](Br)C[C@@H]1COCCN1Cc1cc(Cl)ccc1I 2128885642 VWQXHPDGSGFOGX-ZWNOBZJWSA-N 458.565 4.319 50 10 JIGE C[C@@]1(CBr)CC(F)(F)CN1C(=O)c1cccc(F)c1I 2159039762 FLPGABWPCNKODK-LBPRGKRZSA-N 462.047 4.065 50 10 JIGE O=C(c1cc(Br)sc1Br)N1C[C@H](Br)C2(CCOCC2)C1 2174379588 PLLCAGNQYKSPIK-VIFPVBQESA-N 488.039 4.289 50 10 JIGE Cc1ccc(CBr)cc1S(=O)(=O)N1CCC[C@H](N(C)Cc2ccccc2)C1 2179785068 HJMDZNMZQCTOQJ-FQEVSTJZSA-N 451.430 4.175 50 10 JIGE CCCn1cc(S(=O)(=O)N2CCC[C@@H](OCc3ccccc3)C2)cc1CBr 2186381569 QABRYQDXEHOXMS-LJQANCHMSA-N 455.418 4.163 50 10 JIGE O=S(=O)(c1ccc(Cl)c(CBr)c1)N1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 2187748789 SFLFGOFCWYFHQS-WMZOPIPTSA-N 469.832 4.130 50 10 JIGE ClCc1nc2cccc(Br)c2n1CCn1cnc(I)c1 2237142479 BQMPOJORQMCYHG-UHFFFAOYSA-N 465.520 4.039 50 10 JIGE C[C@H]1C[C@@H](CBr)CN1C(=O)Cc1cc(Br)cc(Br)c1 2277923714 FZUXEZNDUUSFQM-ONGXEEELSA-N 454.000 4.386 50 10 JIGE N#CC(C(=O)NC1CCCCC1)=C1N=C(NC(=O)c2ccc(Br)cc2)c2ccccc21 2296842951 LAPYNSGCFOUPAH-UHFFFAOYSA-N 477.362 4.323 50 10 JIGE CCOc1ccc(NC(=O)C(C#N)=Cc2c(N3CCCCCC3)nc3ccccn3c2=O)cc1 2296848539 CAGIPHUZCWXPGX-UHFFFAOYSA-N 457.534 4.019 50 10 JIGE CCO[C@@H]1Oc2ccc([N+](=O)[O-])cc2C(=O)C1=CN=c1[nH]c2cc(C)c(SC#N)cc2s1 2297534570 HLVZLORZLIHCGB-HXUWFJFHSA-N 468.516 4.442 50 10 JIGE CC(C)[C@@H]1C[C@@H](Br)CN1c1ncc(I)cc1Br 2304248434 FOJWAHANWHKVKR-KCJUWKMLSA-N 473.978 4.447 50 10 JIGE COC(=O)c1ccccc1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(OC)cc3)cs2)CC1=O 2331273389 KSPHXXYIVPJROQ-INIZCTEOSA-N 475.526 4.451 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1C[C@H]2C[C@H]1CC[C@@H]2Br 2340063237 IRJJGEYOZAUCHT-UISBYWKRSA-N 454.533 4.333 50 10 JIGE COc1ccc(CC(=O)N[C@@H](CCBr)COCc2ccccc2)c(Br)c1 2343419361 YRHGSZBZHAHGGA-KRWDZBQOSA-N 485.216 4.487 50 10 JIGE Cn1cnc(Br)c1[C@@H](Br)c1cc2nc(O)[nH]c2cc1Br 2362431643 GWNFAOSKBGEFCC-VIFPVBQESA-N 464.943 4.011 50 10 JIGE CC1CCC(CBr)(NS(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)CC1 2364201342 FFJSAGGYRSLPLH-UHFFFAOYSA-N 499.471 4.106 50 10 JIGE CC(C)c1cc(Br)ccc1OCC(=O)NNC(=O)COc1ccc2ccccc2c1 9231587 WECAIKCNCLMMDH-UHFFFAOYSA-N 471.351 4.331 50 10 JIGE Cc1cc(Br)ccc1OCC(=O)NC(=S)NNC(=O)c1ccc(-c2ccccc2)cc1 13976240 AWNJCDDLUKYXCA-UHFFFAOYSA-N 498.402 4.139 50 10 JIGE CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)c2ccc(C(=O)C(=O)c3ccccc3)cc2)c(OC)c1 83261041 HMMSCYJNWABAGK-JCMHNJIXSA-N 483.476 4.450 50 10 JIGE Cc1cc(S(=O)(=O)N[C@@H]2c3ccccc3C[C@@H]2Br)sc1Br 137011931 QZJISQKPAQOCBB-WCQYABFASA-N 451.205 4.158 50 10 JIGE COc1ccc(/C=N\NC(=O)CSc2nc3ccccc3s2)c(Br)c1O 137805179 PFWKPRDOWAMUPD-UWVJOHFNSA-N 452.355 4.015 50 10 JIGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1cc2ccccc2oc1=O 206728555 JZBBJXXMVDTAGM-UNOMPAQXSA-N 484.464 4.227 50 10 JIGE C[C@H](Br)c1cnnn1-c1cc(I)ccc1Br 309440612 NXTLASBGSKJJIA-LURJTMIESA-N 456.907 4.090 50 10 JIGE C[C@H](Br)[C@@H]1CCCN(S(=O)(=O)c2cc(Br)ccc2Br)C1 688939845 VLYLPNZVCGRUJZ-VHSXEESVSA-N 490.055 4.396 50 10 JIGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCc3ccccc3C#N)cc2)cc1 1084273287 PODVMMJOCBRELA-SANMLTNESA-N 457.530 4.500 50 10 JIGE COC(=O)c1ccc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccs2)CCC3)cc1 1772748262 BCAGWNQJCLBXPJ-UHFFFAOYSA-N 452.488 4.126 50 10 JIGE O=C(Nc1ccccc1N1CCOCC1)[C@@H](Br)Cc1ccccc1Br 1858181688 ZEYUXTCGQLAZLT-INIZCTEOSA-N 468.189 4.230 50 10 JIGE Cc1ccc(NC(=O)[C@H](C)Oc2cccnc2NC(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1 1858683241 GNAJIQZVPZEGFN-AWEZNQCLSA-N 454.414 4.454 50 10 JIGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2c(F)cccc2Cl)cc(OC)c1OC 1865692738 PBUOGAFDOCBBQU-NRFANRHFSA-N 484.915 4.276 50 10 JIGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2)cc(OC)c1OC 1865693575 WZAUUPVVQONQJU-SFHVURJKSA-N 486.450 4.194 50 10 JIGE CCCn1nc(C)c2c1OC(N)=C(C#N)[C@@H]2c1cc(Br)cc(Br)c1O 1865700968 INXBZYKIXUVYBM-AWEZNQCLSA-N 468.149 4.050 50 10 JIGE O=C(N[C@H]1C[C@@H]([C@@H](F)CBr)C1)c1cccc(Br)c1Br 1906537962 MSRWFTVHJKJBAW-RNSXUZJQSA-N 457.963 4.453 50 10 JIGE Brc1cnc(N2C[C@@H](Br)C[C@@]3(CCCO3)C2)c(Br)c1 1924293919 GEBMGYSMFMLSEU-GWCFXTLKSA-N 454.988 4.129 50 10 JIGE C[C@@H]1C[C@H](CBr)CN1C(=O)c1ccc(Br)cc1I 2086147289 LOXVYLCGKNYVBD-RKDXNWHRSA-N 486.973 4.299 50 10 JIGE CCCN1CC[C@@H]([C@H](Cl)c2scc(Br)c2Br)S1(=O)=O 2089528669 VBPKEIUNVAGKBP-WPRPVWTQSA-N 451.633 4.367 50 10 JIGE CCN1CCC[C@H]([C@@H](Cl)c2scc(Br)c2Br)S1(=O)=O 2089528762 VRLFFQJJEWQBEF-PSASIEDQSA-N 451.633 4.367 50 10 JIGE CC(C)(CBr)[C@@H]1CCCN1C(=O)c1cc(I)ccc1F 2169660576 ATAZEGYXUYYKDL-ZDUSSCGKSA-N 454.121 4.456 50 10 JIGE Cc1oc(C)c(S(=O)(=O)N(C)[C@H]2C[C@H](C)N(Cc3ccccc3)C2)c1CBr 2179791025 LTPDNOYAJVICRS-KSSFIOAISA-N 455.418 4.075 50 10 JIGE Brc1cc(Br)cc(C[C@H](Br)[C@@H]2CO[C@@H]3COC[C@H]32)c1 2277967222 ZBEGKYLGWCRDEZ-ZOBORPQBSA-N 454.984 4.179 50 10 JIGE CC[C@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)C=Cc2cccc3ccccc23)cc1 2313633889 WLNDRKYPGHSIDM-SFHVURJKSA-N 461.587 4.467 50 10 JIGE N#CC(=Cc1ccc(Br)cc1)C(=O)N1CCN(CCc2c[nH]c3ccccc23)CC1 2324505889 OOKJUKIQSUIOKD-UHFFFAOYSA-N 463.379 4.224 50 10 JIGE COCCO[C@@H]1[C@@H](Br)C[C@@H]1OCc1cc(Br)cc(Br)c1 2362240192 OHAFTTOVGLEYOG-MELADBBJSA-N 472.999 4.296 50 10 JIGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCC[C@@H](CCCBr)C1 2364208781 LWAHHYBWHOKQCO-GOSISDBHSA-N 499.471 4.060 50 10 JIGE Cc1cccc(C(=O)Nc2cccc(C(=O)N/N=C/c3cc(Br)ccc3O)c2)c1 3470533 UNZCRAYQZVFQNP-ZMOGYAJESA-N 452.308 4.479 50 10 JIGE CC(C)(C)c1ccc(C(=O)NNC(=S)NC(=O)COc2ccc(Br)cc2Cl)cc1 13978775 GEPBTQOCURAOBF-UHFFFAOYSA-N 498.830 4.115 50 10 JIGE CCCCCCOc1ccc(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1Br 14640735 LGXJQSWYWBGGIT-UHFFFAOYSA-N 464.316 4.391 50 10 JIGE O=C(CCc1ccccc1)NNC(=O)c1cc(Br)ccc1OCCc1ccccc1 14665515 AMBVBNNDFAGZJG-UHFFFAOYSA-N 467.363 4.464 50 10 JIGE Cc1ccc(C(=O)NNc2ncnc(Nc3ncc(C(F)(F)F)cc3Cl)c2[N+](=O)[O-])cc1 40657569 PUUHDCTXVDAXPJ-UHFFFAOYSA-N 467.795 4.261 50 10 JIGE COc1ccc(OC)c(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2O)CCC3)c1 40826324 GHOAPGNGNHCHRX-WPWMEQJKSA-N 463.490 4.034 50 10 JIGE Nn1c(CCc2ccccc2)nnc1SCCCC(=O)N/N=C/c1ccc(Cl)cc1Cl 58989017 KBMKPNQQXHVBNI-AFUMVMLFSA-N 477.421 4.107 50 10 JIGE O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)NN=C/C=C\c1ccccc1[N+](=O)[O-] 254380703 ISSSHYLVLSARCH-GCFOIQHNSA-N 485.525 4.201 50 10 JIGE CO[C@@]1(c2cc(OP(=O)(O)O)ccc2Cl)OOC12[C@H]1CC3C[C@H]2CC(Cl)(C3)C1 271776510 NOXRGRGCSIAHSL-TZDQRCHGSA-N 451.239 4.129 50 10 JIGE BrCCCc1cccc(I)c1I 306783561 LCPRZSFWKPSODJ-UHFFFAOYSA-N 450.883 4.223 50 10 JIGE COc1cccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)c1O 394535339 NNAYSEINPDGMFJ-RDJZCZTQSA-N 467.303 4.188 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N[C@@H](CBr)CC(F)F)cc1Br 717748148 DKKZHXYAGNVGOC-SSDOTTSWSA-N 499.997 4.217 50 10 JIGE CC(=O)CCc1ccc(OCc2cccc(C(=O)NNC(=O)c3cn(C)c4ccccc34)c2)cc1 727367619 WNUHWPMINBWOOT-UHFFFAOYSA-N 469.541 4.354 50 10 JIGE O=C(NNS(=O)(=O)c1csc(-c2ccccc2)n1)c1ccccc1OCc1ccc(F)cc1 730512670 JTIQKMWPSMOVEY-UHFFFAOYSA-N 483.546 4.152 50 10 JIGE COc1cc(C(=O)NN=Cc2ccc(SCC(=O)Nc3c(C)cccc3C)o2)cc(OC)c1OC 1084530884 SYZDRWAYOMDIRP-UHFFFAOYSA-N 497.573 4.417 50 10 JIGE C#CCOc1ccc(NC(=O)NNC(=O)c2ccc(COc3ccc(OCC)cc3)cc2)cc1 1310303639 YIESHAJHVBWNAF-UHFFFAOYSA-N 459.502 4.143 50 10 JIGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1865714334 HPVSGSJSRKBLRM-JOCHJYFZSA-N 465.469 4.430 50 10 JIGE Brc1ccc(I)cc1COCCI 1890539149 LAAHXEDLKARWJK-UHFFFAOYSA-N 466.882 4.005 50 10 JIGE O=C(c1cc(Br)ccc1Br)N1C[C@@H](Br)[C@H](Br)C1 1910006909 KYHFGCQMDRBDCX-NXEZZACHSA-N 490.815 4.194 50 10 JIGE CC(C)(C)OC(=O)N1CC(N(Cc2ccccc2)C(=O)N2CCC(Br)CC2)C1 1955900153 UBRVUPQCKMSUER-UHFFFAOYSA-N 452.393 4.087 50 10 JIGE Cc1nc(C(=O)N(C)C[C@@H](Br)COCc2ccccc2)c(Br)s1 1980605126 LCZAPBOMZGXMLH-CYBMUJFWSA-N 462.207 4.266 50 10 JIGE Cn1cnc(CC(CBr)(CBr)c2cccc(Br)c2)c1 2095100722 ACRAABHHRHOOAV-UHFFFAOYSA-N 451.000 4.453 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CCC2(CC(Br)C2)C1 2117410750 ZWNIJBNFPBYGCF-UHFFFAOYSA-N 498.984 4.443 50 10 JIGE O=C(c1ccc(F)cc1I)N1C[C@@H]2CCC[C@H](C1)C2Br 2167782178 WQEVPQOACPMFHW-XFLKPENQSA-N 452.105 4.066 50 10 JIGE O=C(c1cc(I)ccc1F)N1C[C@@H](CBr)C2(CCC2)C1 2169666006 RJMXJTYHSVTMRF-SNVBAGLBSA-N 452.105 4.068 50 10 JIGE CC(C)(C)[C@@H]1C[C@@H](CBr)CN(C(=O)c2cc(I)sn2)C1 2176540949 XCCMBNABKAVSFQ-VHSXEESVSA-N 471.202 4.267 50 10 JIGE CC(C)[C@H](CBr)CN1CCN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 2211438466 RDTQOJBQZIWNAF-GOSISDBHSA-N 492.499 4.443 50 10 JIGE O=C(c1csc(I)c1)N1C[C@H]2CCCC[C@@]2(CBr)C1 2230577641 GFAIVYIZVKSXOO-BXUZGUMPSA-N 454.171 4.380 50 10 JIGE CCCN1CC[C@H]([C@@H](Br)c2scc(Br)c2Cl)S1(=O)=O 2264610163 SBXRFBZPQMUWFG-RKDXNWHRSA-N 451.633 4.414 50 10 JIGE O=C(c1c(F)cccc1I)N1CCC[C@@H](CCBr)CC1 2282806592 MWUKQCJXCXBRQY-NSHDSACASA-N 454.121 4.458 50 10 JIGE C[C@H](Br)COCc1cn(-c2ccc(Cl)c(I)c2Cl)nn1 2295833246 NPGHTQJXTYHPOR-ZETCQYMHSA-N 490.954 4.479 50 10 JIGE CCOc1cc(C=C(C#N)C(=O)OC)cc(I)c1OCc1ccccc1C#N 2297576492 CJYLFPFUKJOBAA-UHFFFAOYSA-N 488.281 4.221 50 10 JIGE COCCn1cc(C=NNC(=O)CSc2nc3ccccc3s2)c2cc(OC)ccc21 2321685135 IDBKRTDGJSAKRV-UHFFFAOYSA-N 454.577 4.148 50 10 JIGE CC1(C)[C@H](CBr)OCCN1Cc1ccc(Cl)c(I)c1 2337227474 LJOCYGWZGFJRHC-ZDUSSCGKSA-N 458.565 4.319 50 10 JIGE COc1ncc(Br)c(C)c1CO[C@@H](CCl)[C@H](I)CCl 2342361703 NPPWUWDASDMJHX-MNOVXSKESA-N 482.971 4.328 50 10 JIGE CN(C[C@H]1C[C@H](Br)C1)[C@H](CN)c1ccc(Cl)cc1I 2346301308 IAQMQPGAKHCBKG-GPCCPHFNSA-N 457.581 4.050 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@@](C)(C(=O)O)c1ccc(Br)s1 2350354535 GULXYMOYLVZVDV-MRXNPFEDSA-N 485.491 4.306 50 10 JIGE O=C(COc1ccccc1Cl)N/N=C/c1ccc(/C=N/NC(=O)COc2ccccc2Cl)cc1 12492293 ATGWVIZEZNFXFG-OCHFTUDZSA-N 499.354 4.052 50 10 JIGE C/C(=N/NC(=O)[C@]1(C)CC1(Br)Br)c1cccc(NC(=O)C2CCC2)c1 13136945 MSUYICCOBYEYGQ-SXOHWRJOSA-N 471.193 4.162 50 10 JIGE C[C@H](Oc1ccccc1Cl)C(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 14026976 COVCGSSPVUXEQJ-ZDUSSCGKSA-N 483.790 4.394 50 10 JIGE C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=S)NC(=O)Cc1cccc2ccccc12 14031789 UHWPGXZMEGQDHR-QGZVFWFLSA-N 457.555 4.025 50 10 JIGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)N2CCOCC2)cc1Cl 35447298 FIDHPNCOARJATN-RGEXLXHISA-N 462.937 4.357 50 10 JIGE CCc1ccc(OCCCC(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)c(Br)c1 40959411 WPMGYMXSUJOZKG-ZVHZXABRSA-N 479.371 4.347 50 10 JIGE CS(=O)(=O)N(CC(=O)N/N=C/c1cccc2ccccc12)c1ccc2c3c(cccc13)CC2 59464118 RDZRULONDLBMNJ-JVWAILMASA-N 457.555 4.008 50 10 JIGE COC(=O)[C@H](Br)Cc1c(Br)cc(Br)cc1Br 71126203 ZPKKGBZFDLFGEF-SECBINFHSA-N 479.788 4.453 50 10 JIGE CCOc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccco2)C(=O)CCl)cc1OC 97914642 QACRVVIWIHDOOG-HSZRJFAPSA-N 462.974 4.445 50 10 JIGE CCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)cc1 206309164 LSRVXVXJXBRZBO-RGEXLXHISA-N 480.546 4.427 50 10 JIGE CSc1ccc(C=NNC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)cc1 254310249 VIDNPNJOMYPIPO-JCUQAPLZSA-N 458.587 4.396 50 10 JIGE Cc1ccc(-n2c(SCC(=O)NN=Cc3ccc(C(=O)O)cc3)nnc2-c2ccccc2)cc1 254401652 WTLBCWWFJRVTLM-UHFFFAOYSA-N 471.542 4.183 50 10 JIGE COc1ccccc1N1CCN(Cc2ccc(C(=O)NN=C(C)c3cccc([N+](=O)[O-])c3)cc2)CC1 254799558 YFQPLVCOUNAMMK-UHFFFAOYSA-N 487.560 4.080 50 10 JIGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)C(=O)Nc2ccc(F)cc2)cc1 254828875 WFKQPIRUTDECDU-UHFFFAOYSA-N 485.471 4.296 50 10 JIGE CO[C@@H]1CCC[C@@H](O[C@@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)C1 687798925 DWCJIDINWVVVFL-IIDMSEBBSA-N 453.361 4.165 50 10 JIGE BrCc1cc(Br)cc(Br)c1OC[C@@H]1C[C@@H]2COC[C@@H]2O1 724602886 DGLIMRPHOCMWQN-CDMKHQONSA-N 470.983 4.289 50 10 JIGE Cc1cc(C=NNC(=O)C(=O)NCCc2ccccc2)c(C)n1-c1cc(Cl)ccc1Cl 725418735 BKWZNRCNDBYKPS-UHFFFAOYSA-N 457.361 4.210 50 10 JIGE Cc1ccc(C(=O)O)cc1-n1c(C)cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c1C 1084087108 OMIFOYIQUMOFAQ-LFVJCYFKSA-N 468.557 4.357 50 10 JIGE CC(=O)N(c1ccc(NC(=O)NNC(=O)c2ccc(OCCC(C)C)cc2)cc1)[C@@H]1C[C@@H]1C 1672172699 MTVHYNUGEPZKFA-GAJHUEQPSA-N 452.555 4.339 50 10 JIGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)cc1O 1865682262 KMBDPKOFNOSFHD-KRWDZBQOSA-N 460.387 4.022 50 10 JIGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@@H](c2ccc(OC)c(O)c2)C(C#N)=C(N)O3)cc1 1865682656 UROGDURBFYEXQH-DEOSSOPVSA-N 496.523 4.489 50 10 JIGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C 1865759643 KRDZTTRCIZJFBP-UHFFFAOYSA-N 481.380 4.430 50 10 JIGE CC(C)(C)OC(=O)N[C@H](CBr)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@]2(CCCO2)C1 1885097759 UBWRXBKCPFPQMY-BXTJHSDWSA-N 463.413 4.081 50 10 JIGE O=C(N[C@H](CCBr)COCc1ccccc1)c1ccc(I)cc1 1902796177 JHLBNGOKVHJMCU-QGZVFWFLSA-N 488.163 4.391 50 10 JIGE O=C(N[C@@H](CBr)C[C@@H]1CCCO1)c1cc(Cl)ccc1I 1926731743 HNPLAAJCEZRWJE-MNOVXSKESA-N 472.548 4.007 50 10 JIGE C[C@]1(NC(=O)c2ccc(I)c(Br)c2)CCC[C@H]1Br 2062594338 PRHINUUGVLDKLS-YPMHNXCESA-N 486.973 4.490 50 10 JIGE O=C(NC1CCC(Br)CC1)c1ccc(Br)cc1I 2086148206 YARCAVJBJGLGIN-UHFFFAOYSA-N 486.973 4.490 50 10 JIGE CC1(C)CN(C(=O)c2ccc(Br)cc2I)C[C@H]1Br 2086148592 CUDFRPJQGNURFM-LLVKDONJSA-N 486.973 4.299 50 10 JIGE CCCN1CC[C@H]([C@@H](Br)c2cc(Br)cc(Br)c2)S1(=O)=O 2145770066 RLLKQAUQVVFFOZ-OLZOCXBDSA-N 490.055 4.462 50 10 JIGE O=C(NC[C@@H]1CCCC2(CCC2)[C@@H]1Br)c1cc(I)sn1 2176539933 SNBHGACPTFKRRE-JOYOIKCWSA-N 469.186 4.211 50 10 JIGE C[C@H]1[C@H](C)N(S(=O)(=O)C2CCC(CBr)CC2)C[C@@H](C)N1Cc1ccccc1 2179829138 XOCJNXPJJDUZOU-WMZRSPKSSA-N 457.478 4.253 50 10 JIGE C[C@@H]1Cc2cc(Br)cc([C@@H](Br)c3nn(C)nc3Br)c2O1 2235266740 WLEWDRBEDRYANO-LHLIQPBNSA-N 465.971 4.148 50 10 JIGE Cc1oc(CBr)cc1S(=O)(=O)N1CCN(Cc2ccccc2)CCC1(C)C 2239857698 COCULKRNXWXWMA-UHFFFAOYSA-N 455.418 4.158 50 10 JIGE CC1(C)OCCN(C(=O)c2cc(Br)sc2Br)[C@H]1CBr 2267738893 IUNHCPKVPDLAOD-QMMMGPOBSA-N 476.028 4.288 50 10 JIGE CN(C(=O)c1csc(I)c1)[C@H](CBr)Cc1ccccc1 2296326919 JMIJODZHFAUAGN-ZDUSSCGKSA-N 464.166 4.431 50 10 JIGE COc1ccc(-n2c(C)cc(C=C(C#N)C(=O)OCC(=O)Nc3cccnc3Cl)c2C)cc1 2297486624 ORQYSURJYDXFOH-UHFFFAOYSA-N 464.909 4.240 50 10 JIGE O=S(=O)(N[C@@H](CCBr)COCc1ccccc1)c1cc(F)ccc1Cl 2320354645 NMOJIJHDRVPCCW-HNNXBMFYSA-N 450.757 4.128 50 10 JIGE COc1cc([N+](=O)[O-])ccc1NC=C(C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324599281 LESORCHYKGTISI-UHFFFAOYSA-N 497.555 4.357 50 10 JIGE CC[C@@H](NC(=O)C(C#N)=CNc1cc(C(=O)OC)ccc1C(=O)OC)c1ccc2c(c1)CCCC2 2325092421 NQJPURPUDLFRJU-HSZRJFAPSA-N 475.545 4.225 50 10 JIGE COc1ccc(C=C(C#N)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1OC 2329701288 NDKKLLAUIUKEJN-XMMPIXPASA-N 462.594 4.020 50 10 JIGE Cl[C@H]1CCCOC12CN(Cc1ccc(I)c(Br)c1)C2 2349849594 BMQJIAJVJUBPHV-ZDUSSCGKSA-N 456.549 4.026 50 10 JIGE CC(C)[C@H]1C[C@@H](Br)CN1S(=O)(=O)c1cc(Br)ccc1Br 2370736684 JYEMIDWARTVTFE-ZYHUDNBSSA-N 490.055 4.394 50 10 JIGE Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=O)c1cccc(OCCc2ccccc2)c1 10331167 HAVNRADHOPGXLQ-UHFFFAOYSA-N 479.964 4.450 50 10 JIGE CCCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(Cl)cc1C 14033019 AQGQJFIJZOJWII-UHFFFAOYSA-N 478.014 4.322 50 10 JIGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=O)c1ccccc1F 14037466 YVTPAAZRUAQQPB-UHFFFAOYSA-N 496.130 4.344 50 10 JIGE CCCCCC(=O)NNC(=S)NC(=O)c1cc(Br)ccc1OCCC(C)C 14651298 OJLBBPFMJDVWAL-UHFFFAOYSA-N 458.422 4.090 50 10 JIGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)cc1 38700438 RDYHIQXYUJEIQB-RPBOFIJWSA-N 454.482 4.213 50 10 JIGE CCCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc3cc(C(=O)NCC)c(=O)oc3c2)cc1 40894396 WWKHYLZRYFULLD-CPNJWEJPSA-N 460.486 4.234 50 10 JIGE Cn1c(SCC(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)nc2ccccc21 58990255 FGEGLNMSJGZHCC-DNTJNYDQSA-N 498.200 4.046 50 10 JIGE Cc1ccc(NC(=O)CN2C(=O)/C(=N\NC(=O)c3cccc4ccccc34)c3ccccc32)cc1 59153755 BGZYBDQPZQUZCL-BXVZCJGGSA-N 462.509 4.268 50 10 JIGE CCOc1ccc(/C=C(/C#N)C(=O)N(c2ccccc2)S(=O)(=O)c2ccccc2)cc1OC 207130518 UEOUHXJHTFUAMG-SILNSSARSA-N 462.527 4.423 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CCC[C@H]1CBr 232478267 QWEWXFVRFCLBPA-VIFPVBQESA-N 472.946 4.053 50 10 JIGE C[C@@H](C(=O)NN=Cc1ccccc1OCc1ccc(Br)cc1)n1nnc2ccccc21 245295531 GVCWSPNJXDYXIY-INIZCTEOSA-N 478.350 4.484 50 10 JIGE CCOc1cc(C=NNC(=O)c2ccc(OC)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 254594476 VEJKWYBQTAZVKD-UHFFFAOYSA-N 480.433 4.467 50 10 JIGE COc1ccc(C=NNC(=O)c2cc(-c3ccc4c5c(cccc35)CC4)n[nH]2)c(OC)c1OC 254622783 FIVLSMWZKUWUGF-UHFFFAOYSA-N 456.502 4.118 50 10 JIGE CCCCOc1ccc(C(=O)NCC(=O)NN=Cc2ccc(OCc3ccccc3)c(OC)c2)cc1 254685673 KXATXAHKFNYQOE-UHFFFAOYSA-N 489.572 4.333 50 10 JIGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)C(=O)Nc2ccccc2)cc1OC 254853811 JBOYHGVGQZRRSW-UHFFFAOYSA-N 497.507 4.165 50 10 JIGE Cc1nn(C)c2c1nc(CCl)n2-c1ccc(Br)c(I)c1 312663897 WTMYHYMPTLYSTM-UHFFFAOYSA-N 465.520 4.173 50 10 JIGE Cn1ncc(Br)c1[C@@H](Br)c1cc2c(cc1Br)OCC2 710328485 LRPOQGAOBIVJJO-LBPRGKRZSA-N 450.956 4.364 50 10 JIGE COc1ccc(-c2nn(CCC#N)cc2/C=C(/C#N)C(=O)Nc2ccc3c(c2)CCCO3)cc1OC 725754290 ZNTSPSVXDOCLFM-MOSHPQCFSA-N 483.528 4.352 50 10 JIGE Cc1cc(C(=O)COC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)c(C)[nH]1 818027696 FSLIHUXZMWFPEQ-WQRHYEAKSA-N 461.909 4.395 50 10 JIGE COc1ccc(C=NNC(=O)COc2cc(C)c(Br)cc2C(C)C)c(C(=O)O)c1OC 1083890480 PINXJULCVDXLFK-UHFFFAOYSA-N 493.354 4.125 50 10 JIGE CSc1ccc(C=NNC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)cc1 1083962245 QWBZLBUPRZVVKO-UHFFFAOYSA-N 453.589 4.063 50 10 JIGE O=C(CNc1ccc(I)cc1)NN=Cc1ccccc1OCc1ccccc1 1084515069 WMPVXBTUUPFTHA-UHFFFAOYSA-N 485.325 4.432 50 10 JIGE O=C(NNC(=O)c1ccc(Br)cc1)N[C@H](COc1ccccc1)c1ccccc1 1318597999 AMFUMJUNJSFWFP-HXUWFJFHSA-N 454.324 4.213 50 10 JIGE Cc1c(C(=O)NCc2ccc3c(c2)OCO3)oc2c1C(=NNC(=O)c1cccc(Cl)c1)CCC2 1772745911 KJYRXHMDZPOJKI-UHFFFAOYSA-N 479.920 4.371 50 10 JIGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccccc1C(=O)O)C(C#N)=C(N)O2 1865703818 GISFUESGBBRQNJ-IBGZPJMESA-N 452.873 4.203 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(F)c2)[C@H]1c1cccc([N+](=O)[O-])c1 1865706356 URRHRRNOEDGGLM-INIZCTEOSA-N 459.359 4.216 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2F)[C@@H]1c1ccccc1[N+](=O)[O-] 1865709813 HIAGHOBKSUHWNL-MRXNPFEDSA-N 459.359 4.216 50 10 JIGE COc1cc(/C(O)=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)c([N+](=O)[O-])cc1OC 1872752792 SJKOVNWBHYDCDI-MOSHPQCFSA-N 453.432 4.414 50 10 JIGE Cc1ccc(-c2csc(/C(C#N)=C(\O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)cc1C 1872756673 VCBDTLPPIJAGTF-MNDPQUGUSA-N 460.471 4.424 50 10 JIGE COC(=O)c1c(NC(=O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)sc(/C(C)=C/C#N)c1C 1873427351 PFFQKTAZUDCABZ-LVMGUKCRSA-N 465.531 4.029 50 10 JIGE Cc1ccc(Br)c(F)c1C[C@H](Br)CN1C(=O)c2ccccc2C1=O 1905436486 ATRNOSKOJRBURO-NSHDSACASA-N 455.121 4.499 50 10 JIGE CC(C)[C@@H](CCl)N(Cc1ccccc1)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1915280288 KRNZOYFAVZOJPM-JOCHJYFZSA-N 477.026 4.158 50 10 JIGE C[C@@H](Br)CN(c1ncc(I)cc1Br)C1CC1 1988533384 UOUNBQIXYRJYJO-SSDOTTSWSA-N 459.951 4.201 50 10 JIGE BrCCN(c1ncc(I)cc1Br)C1CCC1 1988540114 UTYCDCGINMMJLP-UHFFFAOYSA-N 459.951 4.203 50 10 JIGE C[C@@H](CBr)CN(C)C(=O)c1ccc(Br)cc1I 2026220913 IFPMPMINWUJDHD-QMMMGPOBSA-N 474.962 4.157 50 10 JIGE O=C(CBr)c1cc(I)c(OC(F)(F)F)cc1OC(F)F 2060375818 JRQXGEONIQUKLU-UHFFFAOYSA-N 474.945 4.369 50 10 JIGE O=C(CCl)c1cc(I)c(C(F)F)cc1I 2060384796 ZMXUZQXJPDSZEB-UHFFFAOYSA-N 456.395 4.255 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CN(C(=O)OC(C)(C)C)C2(CCOCC2)C1 2061263060 YTGLINIQCXFABR-KRWDZBQOSA-N 491.720 4.041 50 10 JIGE CC(C)c1nc(Br)cc(=NCCSSCCNC(=O)OC(C)(C)C)[nH]1 2061264017 KHMCJZVWNUDQGU-UHFFFAOYSA-N 451.456 4.102 50 10 JIGE C[C@H](Br)[C@@H]1CCCN1C(=O)c1cc(I)ccc1Br 2073313163 SFTOQWUZKIDREQ-UFBFGSQYSA-N 486.973 4.442 50 10 JIGE CCCN1CC[C@@H]([C@H](Cl)c2csc(Br)c2Br)S1(=O)=O 2093945119 WBAYWIVKFAEEMD-WCBMZHEXSA-N 451.633 4.367 50 10 JIGE O=C(Cc1ccccc1I)N[C@@H](CBr)C1CCCCC1 2143872308 DZAVQUZNGDQQLO-HNNXBMFYSA-N 450.158 4.294 50 10 JIGE O=C(c1ccc(F)cc1I)N1CC[C@@H]2C[C@H](Br)CC[C@@H]21 2143971267 FYPCURCBGVXYBD-RULNRJAQSA-N 452.105 4.208 50 10 JIGE O=C(c1cccc(Br)c1Br)N1CCC[C@@H](OCCBr)C1 2170227342 ZAYZMWHRWFUVRC-SNVBAGLBSA-N 469.999 4.228 50 10 JIGE C[C@@H]1CN(C(=O)c2ccc(F)cc2I)CC[C@@H]1CCBr 2172474602 NWXDFDHDQFSUKX-MNOVXSKESA-N 454.121 4.314 50 10 JIGE O=C(c1ccc(F)cc1I)N1[C@H]2CC[C@@H]1C[C@H](CBr)C2 2184579139 XAPUBFPKDWYPHD-YHPBZONMSA-N 452.105 4.208 50 10 JIGE Cc1ccc(I)c(C(=O)N(C)C[C@@H](Cl)COCc2ccccc2)c1 2217393219 GSRRMVDKHMEZOY-MRXNPFEDSA-N 457.739 4.496 50 10 JIGE COc1cc(C)c([C@@H](Br)c2nn(C)nc2Br)cc1Br 2226972629 PWEAONCGIQPFSD-SNVBAGLBSA-N 453.960 4.141 50 10 JIGE CN(C[C@H]1C[C@@H](Br)C1)C(=O)Cc1cc(Br)cc(Br)c1 2277949587 QBBZTRFMLGWVIT-PHIMTYICSA-N 454.000 4.386 50 10 JIGE CCOc1cc(C=NNC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)C=Cc1ccccc1 2313530224 WVKOQUFKMMOCLB-UHFFFAOYSA-N 459.458 4.376 50 10 JIGE CCN(C[C@](C)(CI)OC[C@@H]1CO[C@]2(C)C[C@H]1C2)C(=O)OC(C)(C)C 2318558324 TWWZFBYAWUIFIX-SAKMYQHLSA-N 467.388 4.269 50 10 JIGE COCCN(C)C[C@H](Cl)CCc1ccc(I)c(Br)c1 2349831106 AWFGHADOHWXJCW-GFCCVEGCSA-N 460.581 4.172 50 10 JIGE O=C(CCCC(=O)Nc1ccc(Br)cc1)N/N=C/c1cccc(Br)c1 3101408 WHWNIBRNEWPPNV-CIAFOILYSA-N 467.161 4.471 50 10 JIGE O=C(NNC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1)c1ccccc1OCc1ccc(F)cc1 17200608 JCBDKAUSECWEMR-HXUWFJFHSA-N 490.535 4.110 50 10 JIGE N#C/C(C(N)=O)=C1\S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(Cl)cc1 34704247 HZQYEAQYHBMSAG-ORMOWBNMSA-N 462.756 4.014 50 10 JIGE CCCN(Cc1cc(NC(=O)CCCCl)ccc1N(C)C)S(=O)(=O)c1ccc(F)cc1 34921720 YAIARVWEYPGYPB-UHFFFAOYSA-N 470.010 4.450 50 10 JIGE C[C@@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc([N+](=O)[O-])cc1 38654781 IHPVFOWFMWPYJD-QKFKETGDSA-N 475.432 4.325 50 10 JIGE Nc1c(NNC(=O)C(c2ccccc2)c2ccccc2)ncnc1Nc1ccc(Br)cn1 40779855 BOHZIBHASKTUDF-UHFFFAOYSA-N 490.365 4.235 50 10 JIGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)c1ccc(C)c([N+](=O)[O-])c1 40869970 GMFLHWRPBXLKPF-CIAFOILYSA-N 471.469 4.354 50 10 JIGE CCCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 40948962 GJXVJMCOFFBKKX-KNTRCKAVSA-N 462.531 4.217 50 10 JIGE Cc1nn(-c2cccc([N+](=O)[O-])c2)c(C)c1/C=N/NC(=O)CSCc1ccc(Cl)cc1 59148608 WCGXBARIIVKLNY-FOKLQQMPSA-N 457.943 4.434 50 10 JIGE COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)c(Br)c(Br)c1O 59432731 KWONMUVUUAEZBZ-YRNVUSSQSA-N 452.102 4.471 50 10 JIGE COc1cc(/C=N\NC(=O)CCc2nc3ccccc3nc2O)ccc1OCc1ccccc1 169887063 UNBLTMYHWSNVMC-YUMHPJSZSA-N 456.502 4.006 50 10 JIGE COc1ccc([C@@H](C)NC(=O)/C(C#N)=C\Nc2ccc(I)cc2C)cc1OC 217172097 BLRKOTAUMXRFLD-IZCBMXNHSA-N 491.329 4.314 50 10 JIGE COCCCOCCO[C@@](C)(CI)c1ccccc1Br 232220606 ZXSLWKICAMOIDY-HNNXBMFYSA-N 457.146 4.169 50 10 JIGE COc1cc(C=NNC(=O)COc2ccc3ccccc3c2Br)ccc1OC(C)=O 252460100 BPZKQNWSXGBWQY-UHFFFAOYSA-N 471.307 4.065 50 10 JIGE COc1ccc(C(=O)Nc2cccc(C(C)=NNC(=O)c3ccc([N+](=O)[O-])c(C)c3)c2)cc1OC 252603486 FSCYRZQIXSFMOY-UHFFFAOYSA-N 476.489 4.327 50 10 JIGE Cc1nn(-c2ccccc2)c(Cl)c1C=NNC(=O)CNC(=O)C(c1ccccc1)c1ccccc1 252606012 GOPJKANEABZKFZ-UHFFFAOYSA-N 485.975 4.233 50 10 JIGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3cccc(C)c3)cc2OCC)cc1 254451716 VBPHFRVMPZARMP-UHFFFAOYSA-N 489.528 4.100 50 10 JIGE O=C(CNc1cccc(C(F)(F)F)c1)NN=Cc1ccc(OC(F)F)cc1OC(F)F 254517745 KQFPCHXBRSKPDS-UHFFFAOYSA-N 453.314 4.470 50 10 JIGE COc1cc(C=NNC(=O)CNC(=O)c2cccc3ccccc23)ccc1OCc1ccccc1 254771316 WFGZRLPAHKNNIR-UHFFFAOYSA-N 467.525 4.308 50 10 JIGE C[C@@H]1[C@H](Br)C[C@H]2CC[C@H]1N2S(=O)(=O)c1cc(Cl)c(Br)s1 686174690 GXWBZGFNRVTBNE-FDDDBJFASA-N 463.644 4.489 50 10 JIGE C[C@H]1CCN(C(=O)c2ccc(I)c(Br)c2)C[C@H]1CCl 721621477 PDUSMXBIVLKTOL-GXSJLCMTSA-N 456.549 4.391 50 10 JIGE Cn1cc([C@@H](Br)c2cc3nc(O)[nH]c3cc2Br)nc1Br 829354247 OARNLJWVHOPKEW-JTQLQIEISA-N 464.943 4.011 50 10 JIGE COCc1cc(C)nc2sc(C(=O)NN=Cc3ccc(NC(C)=O)cc3)c(-n3cccc3)c12 1081099999 RDWVRURNBRTNPY-UHFFFAOYSA-N 461.547 4.264 50 10 JIGE COc1cc(C=NNC(=O)c2cc(Br)ccc2O)ccc1OCc1ccc(C(=O)O)cc1 1083948490 GSABVIOTXSQOSR-UHFFFAOYSA-N 499.317 4.204 50 10 JIGE COCc1cc(C)nc(OCC(=O)NN=Cc2ccccc2OCc2ccc(Cl)cc2)c1C#N 1084246616 PQOGSDMHWFYDLF-UHFFFAOYSA-N 478.936 4.170 50 10 JIGE O=C(CCCC(=O)Nc1ccccc1Br)NN=Cc1ccc(Br)cc1 1084353745 UNVZKEHCGOSDDU-UHFFFAOYSA-N 467.161 4.471 50 10 JIGE COc1ccccc1NC(=O)C(=O)NN=Cc1cc(C)n(-c2ccc(Cl)cc2Cl)c1C 1084506108 ARBOGADCVMDZLG-UHFFFAOYSA-N 459.333 4.498 50 10 JIGE CC(=O)N(CCc1ccccc1)CC(=O)NNc1c(Cl)cc(Br)cc1Cl 1126502229 BRRLXNKNAIAYFI-UHFFFAOYSA-N 459.171 4.290 50 10 JIGE Cc1c(C(=O)Nc2ccc(F)cc2F)oc2c1C(=NNC(=O)c1cccc([N+](=O)[O-])c1)CCC2 1772745776 GZGLPVPORNKPJV-UHFFFAOYSA-N 468.416 4.497 50 10 JIGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@H](c2ccc(O)c(O)c2)C(C#N)=C(N)O3)cc1 1865680720 UAZFZFVIDMWGIC-HSZRJFAPSA-N 484.487 4.375 50 10 JIGE COc1cccc2c1C(=O)N([C@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)C2=O 1865841575 YQPXKRAJRILWEO-HXUWFJFHSA-N 457.511 4.114 50 10 JIGE CN(C[C@H]1C[C@@H](Br)C1)[C@H](CN)c1cc(Br)cc(Br)c1 1887893430 QIMQKZIGISPAOW-OLUVUFQESA-N 455.032 4.317 50 10 JIGE N#CC(C(=O)COC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)=C1Nc2ccccc2S1 2040469922 UBWPZOZERNBYBA-UHFFFAOYSA-N 497.579 4.228 50 10 JIGE FC1(F)CN(c2ncc(I)cc2Br)CC[C@@H]1CCl 2069531373 HPGRQBMHSFPXKA-SSDOTTSWSA-N 451.480 4.149 50 10 JIGE CC(C)(C)OC(=O)N1CCC(CI)(OC[C@@H]2C[C@]23CCCOC3)CC1 2077653948 MBCZBFYAXVNMHN-YJBOKZPZSA-N 465.372 4.024 50 10 JIGE CSCC[C@H](Br)CCNS(=O)(=O)c1cc(Cl)c(Br)s1 2090376812 MRCZBYXSYHPCGT-SSDOTTSWSA-N 471.689 4.349 50 10 JIGE Cn1nc([C@H](Br)c2cc(Br)c3c(c2)CCO3)cc1Br 2094084684 QUFTYFYPUQYJMI-GFCCVEGCSA-N 450.956 4.364 50 10 JIGE O=C(c1cc(Br)c(Br)s1)N1CC[C@]2(C[C@H](Br)CO2)C1 2137133416 RNXLTTGXQVKHFJ-MADCSZMMSA-N 474.012 4.042 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@@H]2C[C@H](C[C@H]2Br)C1 2142284939 JPHBRKXLVINTNN-VDDIYKPWSA-N 498.984 4.299 50 10 JIGE O=S(=O)([C@H]1C[C@H](OCc2ccccc2)C1)N1Cc2ccccc2[C@@H](CBr)C1 2176229240 MNUHVCJDNFISLE-UFYCRDLUSA-N 450.398 4.058 50 10 JIGE Cc1cc(C)c(S(=O)(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)cc1CBr 2179860729 WVSMCPBUMSBMSD-FQEVSTJZSA-N 451.430 4.093 50 10 JIGE CN(C[C@H]1C[C@H](Br)C1)C(=O)[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)OC(C)(C)C 2196915322 XIFWBJLOQHJJMO-SYQHCUMBSA-N 457.331 4.196 50 10 JIGE CCO[C@@H]1[C@H](Br)C[C@H]1Oc1cc(Br)cc(I)c1 2301074369 RFXZPYKCLLHPGW-IJLUTSLNSA-N 475.946 4.373 50 10 JIGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c([N+](=O)[O-])cc1OCc1ccccc1 2313545961 RXMNXFVCGWIQRZ-UHFFFAOYSA-N 498.539 4.438 50 10 JIGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 2314610962 OSEAKFGYPQDXMT-UHFFFAOYSA-N 467.485 4.448 50 10 JIGE N#CC(=CN1CCN(Cc2ccc3c(c2)OCO3)CC1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 2325385027 WTJJMOHROZWSML-UHFFFAOYSA-N 492.885 4.251 50 10 JIGE COc1ccccc1-c1csc(C(C#N)=C(O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)n1 2331282339 GROSNHGPFNVTLW-UHFFFAOYSA-N 476.470 4.206 50 10 JIGE C[C@H](Br)C[C@@H]1CCCCN1C(=O)c1c(Br)c(Br)nn1C 2364031283 IEEVCYJASDESGN-IUCAKERBSA-N 472.019 4.113 50 10 JIGE COc1ccc([C@@H](Br)[C@H]2COC3(CCC3)CO2)cc1I 2364133464 DRVSOFQPKLISFE-ZIAGYGMSSA-N 453.114 4.074 50 10 JIGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H]1CCCC[C@H]1CCBr 2364214859 PUDLYHFGZZQRDM-FXAWDEMLSA-N 499.471 4.106 50 10 JIGE C[C@@H](Br)CN1CCCN(Cc2cc(I)ccc2Cl)CC1 2380527375 MSDGQUZSYVUXGO-GFCCVEGCSA-N 471.608 4.236 50 10 JIGE Cc1cc(Cl)ccc1OCC(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2C)cc1 12578941 HDOWQINLWQTFCG-UHFFFAOYSA-N 451.910 4.049 50 10 JIGE CCCCOc1ccccc1C(=O)NC(=S)NNC(=O)[C@H](C)Oc1ccc2ccccc2c1 14032475 KROJJDLUSUDSKE-KRWDZBQOSA-N 465.575 4.122 50 10 JIGE O=C(Cc1ccccc1)NNC(=O)c1ccc(-n2nc(C(F)(F)F)c3c2-c2ccoc2CC3)cc1 39852186 WMHBUBZOGDIWPP-UHFFFAOYSA-N 480.446 4.253 50 10 JIGE O=C(CCl)Nc1c(Br)cc(Br)c2c1C(=O)c1ccccc1C2=O 39899497 YISMXEOHCJDJEL-UHFFFAOYSA-N 457.505 4.164 50 10 JIGE Cc1cc(O[C@H](C)C(=O)N/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)cc(C)c1Cl 40840964 FQIAYHWHCGSKSF-PKIICXIDSA-N 470.707 4.251 50 10 JIGE C[C@H](CCBr)CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 136699770 OPCNDFACPBERKU-SSDOTTSWSA-N 454.011 4.455 50 10 JIGE CCc1ccccc1OCC(=O)Oc1ccc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1OC 206399646 PSVQQOSJACRAFZ-HAHDFKILSA-N 470.525 4.465 50 10 JIGE COc1ccc(OCCCC(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2)cc1 206740643 ZAFGRQAKQXUJJR-SILNSSARSA-N 460.486 4.276 50 10 JIGE Cc1ccc(S(=O)(=O)OCCOCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1 217925935 WBFZVEHBSWHYHC-UHFFFAOYSA-N 498.717 4.294 50 10 JIGE COc1cc(C=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)ccc1O 254870603 XNDXEEDSAJCBED-UHFFFAOYSA-N 473.558 4.199 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N(C)C[C@@H](C)CBr)cc1Br 689005853 CMKXQFFXJVGHSO-QMMMGPOBSA-N 478.044 4.172 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CCSC[C@@H]1CCCl 689278250 KTHIWVCVTQAJQE-JTQLQIEISA-N 474.589 4.240 50 10 JIGE O=C(NNC(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1)c1ccccc1NS(=O)(=O)c1cccs1 731183392 FWWHZNYAICWYPG-NHCUHLMSSA-N 491.594 4.267 50 10 JIGE CCc1ccc(CN(C)C(=O)/C(C#N)=C\c2cn(CCC(N)=O)nc2-c2ccc(Cl)cc2)cc1 920849555 HSBYDUIQHWTRHA-STZFKDTASA-N 475.980 4.207 50 10 JIGE COc1cc(C=NNC(=O)c2cccc(NC(=O)c3cccc(Cl)c3)c2)cc(OC)c1OC 1082753822 OGLIDYOUYPHXJQ-UHFFFAOYSA-N 467.909 4.382 50 10 JIGE Cc1c(C(=O)Nc2ccc(Cl)cn2)oc2c1C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772746375 BJGVTXYBAORIAL-UHFFFAOYSA-N 481.896 4.196 50 10 JIGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc(Cl)c2)c1O 1865683275 BVPPRQSVIOOMJU-OAHLLOKOSA-N 462.815 4.477 50 10 JIGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(OC)cc2)cc(Br)c1O 1865687892 CQWGMIGPKFYKSE-FQEVSTJZSA-N 497.349 4.274 50 10 JIGE Cc1c(Br)sc([C@H](Br)C2CS(=O)(=O)C2)c1Br 1922937474 YNXJVCWDJQMCSO-SSDOTTSWSA-N 453.015 4.062 50 10 JIGE C[C@@H]1C[C@@H]1N(CCBr)C(=O)c1cc(I)ccc1Br 2048205480 OUHXHSAMGWRPRF-PELKAZGASA-N 486.973 4.299 50 10 JIGE CCc1nc(C(=O)NCCSSCCNC(=O)OC(C)(C)C)c(Br)s1 2061267901 KYYNLLFVABYDPW-UHFFFAOYSA-N 470.480 4.104 50 10 JIGE Cn1nc([C@@H](Br)c2cc3c(cc2Br)OCC3)cc1Br 2094081004 XPRVWYCSHMVOAW-ZDUSSCGKSA-N 450.956 4.364 50 10 JIGE Cc1csc(CBr)c1S(=O)(=O)N1C[C@H](C)N(Cc2ccccc2)C[C@H]1C 2123244364 VKBLUICSTFTPJV-JKSUJKDBSA-N 457.459 4.235 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCNCc1cc(Br)ccc1[N+](=O)[O-] 2125294374 UVEPCFIRKFNZRQ-UHFFFAOYSA-N 466.423 4.353 50 10 JIGE Clc1cc(CN2[C@H](CBr)C[C@H]3OCC[C@@H]32)ccc1I 2142944513 SVNAQBMYVJLMSN-LEWSCRJBSA-N 456.549 4.071 50 10 JIGE COCCNCc1cc(Br)cc(Br)c1OC[C@@H]1C[C@H]1Br 2196906756 JDFIZRIZRREQDN-CMPLNLGQSA-N 472.015 4.110 50 10 JIGE C[C@@]1(CBr)C=CCN1C(=O)c1cc(I)ccc1Br 2221459850 HJHHDKMPBKQSMA-ZDUSSCGKSA-N 484.957 4.219 50 10 JIGE BrC[C@]12COC[C@@H]1CN(Cc1c(Br)cccc1Br)C2 2226186261 PFNZYBRSVTZZIZ-HZMBPMFUSA-N 454.000 4.055 50 10 JIGE CN(C[C@H]1C[C@@H]1Br)C(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2229108188 TWBAACJGJDHULN-KBMXLJTQSA-N 490.236 4.127 50 10 JIGE C[C@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2C(=O)c1c(F)cccc1I 2282792383 PQMZDRWJIGUIMS-MPXOCVNLSA-N 452.105 4.207 50 10 JIGE COc1ccccc1C(C#N)=Cc1cccc(OC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c1 2320511443 WNRFKCXNEOJAGO-UHFFFAOYSA-N 462.527 4.229 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@H]2CC[C@H](Br)[C@H]2C1 2328657080 QZQHSPZTESMJHK-WLTAIBSBSA-N 498.984 4.299 50 10 JIGE C=C[C@@]1(CBr)COCCN1Cc1ccc(Cl)c(I)c1 2337218594 KHSJGLAEELCCLA-CQSZACIVSA-N 456.549 4.097 50 10 JIGE Clc1ccc(I)cc1CN1C[C@H](Br)C2(CCOCC2)C1 2380510670 BDGPQFZDCJYUFD-AWEZNQCLSA-N 470.576 4.321 50 10 JIGE Clc1ccc(I)cc1CN1C[C@@H](CBr)OC2(CCC2)C1 2380520695 CLXMFQMSEAQIHU-CYBMUJFWSA-N 470.576 4.463 50 10 JIGE COc1ccc([C@H]2C(C#N)=C3N=C(N)c4ccccc4N3C3=C2C(=O)CC(C)(C)C3)c(OC)c1 3654504 UQDQERNOIBHDDN-QHCPKHFHSA-N 454.530 4.405 50 10 JIGE CC[C@@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1 10296186 OQRVVZWXLGJFGG-SJORKVTESA-N 465.575 4.120 50 10 JIGE CCc1ccc(O[C@H](C)C(=O)NNC(=O)COc2ccc(C(C)C)cc2Br)cc1 14039935 FIUYBXHHSMCYSM-OAHLLOKOSA-N 463.372 4.129 50 10 JIGE C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NNC(=O)COc1cccc2ccccc12 14644387 YIPMPXDPWANRHK-CYBMUJFWSA-N 477.742 4.249 50 10 JIGE Cc1ccc(C(=O)NNC(=O)c2cc(Br)ccc2OCCc2ccccc2)cc1 14665521 KOBCOBJXVVRRKU-UHFFFAOYSA-N 453.336 4.454 50 10 JIGE O=C(/C=C/c1ccccc1[N+](=O)[O-])NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1 15896836 DUGBZORYQARHCJ-NTEUORMPSA-N 451.866 4.302 50 10 JIGE CC(=O)c1ccc(Nc2ncnc(NNC(=O)c3ccc(Cl)cc3Cl)c2[N+](=O)[O-])cc1 40649702 OZSXAXYFLNPKDB-UHFFFAOYSA-N 461.265 4.395 50 10 JIGE COC(=O)c1ccccc1N(C)c1ncnc(NNC(=O)c2ccc(Cl)cc2Cl)c1[N+](=O)[O-] 40658823 JRBRKXCRGFTYFZ-UHFFFAOYSA-N 491.291 4.003 50 10 JIGE CCN1CCN(C(=O)c2oc3c(c2C)/C(=N/NC(=O)C(c2ccccc2)c2ccccc2)CCC3)CC1 40815514 RLFUZRBTJPJVEQ-QFMPWRQOSA-N 498.627 4.354 50 10 JIGE O=C(NNC(=O)c1cc(Br)c(Br)s1)Nc1cccc(Cl)c1 40948040 XPEDKFQPFIXQCD-UHFFFAOYSA-N 453.543 4.393 50 10 JIGE CCOc1ccc(/C=C\C(=O)NC(=S)NNC(=O)c2ccc(OCc3ccccc3)cc2)cc1 206829810 QYLMJKFDIANFNY-YVLHZVERSA-N 475.570 4.013 50 10 JIGE CCCCOc1ccc(C=NNC(=O)CN(c2cccc(OC)c2)S(=O)(=O)c2ccccc2)cc1 252626055 QVGMIPICVZNNHO-UHFFFAOYSA-N 495.601 4.220 50 10 JIGE C=CCn1c(S[C@@H](C)C(=O)NN=Cc2ccc3c(c2)OCO3)nnc1-c1ccc(Cl)cc1 254699987 VNVIMYFEKKZMSA-AWEZNQCLSA-N 469.954 4.144 50 10 JIGE C[C@H]1CCN(S(=O)(=O)c2cc(CCl)ccc2Br)CCN1Cc1ccccc1 382648134 QMWUPPKORNRLLJ-INIZCTEOSA-N 471.848 4.473 50 10 JIGE Cc1cccc(NC(=O)N2CCN(C(=O)/C(C#N)=C/c3cn(CCC#N)nc3-c3ccccc3)CC2)c1 728521411 DQGSVRQJBDXAIZ-PTGBLXJZSA-N 493.571 4.055 50 10 JIGE COc1cc(/C=C(/C#N)c2ncc(C(F)(F)F)cc2Cl)c([N+](=O)[O-])cc1OCC(=O)O 730433943 KMQXJOZXLFQZOP-SGAXSIHGSA-N 457.748 4.198 50 10 JIGE N#CCCn1cc(/C=C(/C#N)C(=O)OCc2cn3ccccc3n2)c(-c2ccc(Cl)cc2)n1 782091265 DWWBHJCMSZDMJU-PDGQHHTCSA-N 456.893 4.415 50 10 JIGE CCC(C)(C)NC(=O)[C@H](C)OC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1 854206672 BPWNTZSDEKHPEX-HZGBGQKMSA-N 467.957 4.261 50 10 JIGE Cc1cccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Cl)cc([N+](=O)[O-])c3O)c2)c1 1082753857 SBGGVKXHGHXJFS-UHFFFAOYSA-N 452.854 4.278 50 10 JIGE Cc1ccc(OCC(=O)NN=Cc2ccccc2OCc2ccc(C(=O)O)cc2)cc1Cl 1084299040 ZRWVGUMSOSRCNW-UHFFFAOYSA-N 452.894 4.455 50 10 JIGE C#Cc1cccc(NC(=S)NNC(=O)c2cc(-c3ccc(Br)cc3)ns2)c1 1176937543 QFKDYYFEHZGLEY-UHFFFAOYSA-N 457.378 4.185 50 10 JIGE CC(C)(C)OC(=O)N[C@@H](CCC(=O)NNC(=O)c1ccc(Br)cc1)c1ccccc1 1318301509 HGYCPHVHLSRGKL-SFHVURJKSA-N 476.371 4.256 50 10 JIGE C#C[C@@H](NC(=O)NNC(=O)Nc1ccc(Br)cc1Cl)c1ccc(Cl)cc1 1636552578 QAODABHKMNAXRA-CQSZACIVSA-N 456.127 4.466 50 10 JIGE Cc1c(C(=O)NCc2ccccc2Cl)oc2c1C(=NNC(=O)c1ccccc1O)CCC2 1772751950 POZCXXBIZGSHPY-UHFFFAOYSA-N 451.910 4.347 50 10 JIGE CCOC(=O)c1c(NC(=O)NN=Cc2cc(Br)c(O)c(OC)c2)sc2c1CCCC2 1772752998 YOLVCRTYLYWKIR-UHFFFAOYSA-N 496.383 4.436 50 10 JIGE CCCOc1ccc(C(=O)NNC(=O)/C=C/c2cccc(OCc3ccccc3)c2)cc1[N+](=O)[O-] 1860396194 HPFAWEZYBQXIHY-SDNWHVSQSA-N 475.501 4.437 50 10 JIGE CCCc1nn(Cc2ccccc2F)c2c1[C@@H](c1cc(OC)c(OC)cc1OC)C(C#N)=C(N)O2 1865710517 AKSPFAFSUQMUSU-QHCPKHFHSA-N 478.524 4.267 50 10 JIGE COc1cccc(OCC(=O)NNC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)nc2C)c1 1865759432 ZYDVBZIAEVIYNM-UHFFFAOYSA-N 460.317 4.212 50 10 JIGE O=S1(=O)CC([C@H](Cl)c2c(Br)sc(Br)c2Br)C1 1924568775 LKPCTEIHESJXSQ-LURJTMIESA-N 473.433 4.360 50 10 JIGE O=C(O)C[C@H](Br)C(=O)c1c(Br)sc(Br)c1Br 1924615938 ITVVILSYVAULHA-REOHCLBHSA-N 499.800 4.457 50 10 JIGE O=C(N[C@H](CBr)CC1CCCC1)c1cc(I)ccc1O 1926729767 WTNUSDGUAHRYOL-LBPRGKRZSA-N 452.130 4.070 50 10 JIGE CCN(CC)S(=O)(=O)C[C@@H](Br)c1cc(Br)c(Br)s1 2028948317 FMOJXRMDAUMFFW-MRVPVSSYSA-N 484.073 4.381 50 10 JIGE Cc1cc(-n2nc(CBr)c(I)c2C(F)(F)F)c(F)cn1 2078916574 VLMARGQFBFEWLQ-UHFFFAOYSA-N 463.998 4.233 50 10 JIGE C[C@H](CCCCCI)NC(=O)c1cc(I)ccc1O 2117891908 BMVVSAJVABNNFD-SNVBAGLBSA-N 487.119 4.111 50 10 JIGE Clc1ccc(I)c(CN2CCO[C@@H]3C[C@@H](Br)C[C@H]32)c1 2128865430 OINZQDZEMNAWQP-ZLKJLUDKSA-N 456.549 4.071 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@H]2CC(Cl)C[C@@H]2C1 2142278243 AIUYZZIWJLVQGE-RKDXNWHRSA-N 454.533 4.143 50 10 JIGE O=S(=O)(c1cc(CBr)ccc1Cl)N1C[C@H]2C[C@H]1CN(Cc1ccccc1)C2 2179792578 HXWHEUCGAZODTQ-ROUUACIJSA-N 469.832 4.130 50 10 JIGE O=S(=O)(C1CCC(CBr)CC1)N1CCN(Cc2ccccc2)C2(CCC2)C1 2179830824 PJCSGSGXHUZCLT-UHFFFAOYSA-N 455.462 4.010 50 10 JIGE CC(C)(C)OC(=O)N[C@@H]1CCC2(CCOCC2)N(CCCCCI)C1 2220220816 XLNGUVMRVYNYPR-MRXNPFEDSA-N 466.404 4.130 50 10 JIGE CC1(C)CN(C(=O)c2ccc(F)cc2I)C[C@H]1CCBr 2238470182 KPSIECXMNPXJJM-SNVBAGLBSA-N 454.121 4.314 50 10 JIGE CCc1nn(-c2c(CBr)c(C)nn2CC)c(CC)c1I 2281393217 IEDXVEFGGKDPOX-UHFFFAOYSA-N 451.150 4.021 50 10 JIGE COc1ccc(CCN2C(=O)C(=CNc3cccc(Br)c3)C(C)=C(C#N)C2=O)cc1 2314585869 YKDYGVYFQDJYAB-UHFFFAOYSA-N 466.335 4.205 50 10 JIGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2cccc(Br)c2)c(OC)c1 2314785076 BKVKDWFVLUJCGW-UHFFFAOYSA-N 487.350 4.265 50 10 JIGE CCOc1cc(C=NNC(=O)c2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)cc([N+](=O)[O-])c1OC 2323166682 NGTLXYNXKDQFHR-CQSZACIVSA-N 450.495 4.372 50 10 JIGE CCCOc1ccc(C=NNC(=O)c2cccn(Cc3ccc(OC)cc3)c2=O)cc1Cl 2323656454 ZNBSSVNEPCHINW-UHFFFAOYSA-N 453.926 4.111 50 10 JIGE O=C(c1scc(Br)c1Br)N1CC2(CC[C@@H](CBr)O2)C1 2336744344 VRDRWXDBKPNZNC-ZETCQYMHSA-N 474.012 4.042 50 10 JIGE CC(C)(C)OC(=O)NC[C@@]1(C(F)(F)F)CCCN1C[C@]1(CBr)CC1(F)F 2351887938 RZGFMRIOPQRMER-ZIAGYGMSSA-N 451.274 4.328 50 10 JIGE CC1(C)[C@H](CBr)OCCN1Cc1cc(I)ccc1Cl 2352420547 OXAVEXPCVLEFSG-ZDUSSCGKSA-N 458.565 4.319 50 10 JIGE O=C(c1csc(Br)c1Br)N(CCBr)C1CCOCC1 2353572666 JQLFQKDFHBSHCY-UHFFFAOYSA-N 476.028 4.289 50 10 JIGE O=C(NCC(F)(F)C(F)(F)CBr)c1ccc(Cl)c(I)c1 2361670102 CDXRFXJQWUZXCN-UHFFFAOYSA-N 488.444 4.340 50 10 JIGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=O)Cc1ccccc1 12491002 BDRQLRORLGHHMK-UHFFFAOYSA-N 492.167 4.134 50 10 JIGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OC 33304211 TUGJIVGLZKSNPY-NTUHNPAUSA-N 493.257 4.152 50 10 JIGE C[C@H](Cl)C(=O)Nc1ccc(N(C)C)c(CN(C[C@@H]2CCCO2)C(=O)c2cccs2)c1 34921675 MEYJCVXEVDORAJ-YJBOKZPZSA-N 450.004 4.201 50 10 JIGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)N1CCN(c3cccc(Cl)c3)CC1)[C@H](Br)C2=O 35548668 XNRYMJFNOARTRR-HBGVWJBISA-N 453.808 4.148 50 10 JIGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(F)cc4)ccc32)c1 38659737 XZKFGLVRHCZSRI-VWLOTQADSA-N 476.460 4.045 50 10 JIGE CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)c2cc3ccccc3o2)cc1OCC 59680413 SLZVRHXJQIHWAX-WYMPLXKRSA-N 489.322 4.300 50 10 JIGE O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)N/N=C/c1c(O)ccc2ccccc12 71433555 OHIUQJQDPNJAMT-KKMKTNMSSA-N 454.511 4.134 50 10 JIGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1CC[C@H](CBr)C1 125915052 WJOCGEPSMJRCRS-SSDOTTSWSA-N 451.995 4.161 50 10 JIGE CC[C@@](C)(CBr)NS(=O)(=O)c1cc(Br)c(C)cc1Br 136571992 XGDHGDLLQRRMEA-LBPRGKRZSA-N 478.044 4.362 50 10 JIGE C=CCOC(=O)/C(C#N)=C\c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)c(OC)c1 206855405 RHPGCNOFGXNEHI-YBEGLDIGSA-N 460.408 4.368 50 10 JIGE CCCS(=O)(=O)CCOc1c(Br)cc(CBr)cc1Br 233256838 AVARSYGQTNCSIY-UHFFFAOYSA-N 479.028 4.310 50 10 JIGE CC(CC(=O)Nc1cccc(Br)c1)=NNC(=O)COc1ccc(C)cc1Br 252627769 SBDFZAWLZBCSGA-UHFFFAOYSA-N 497.187 4.420 50 10 JIGE O=C(CNC(=O)c1ccc(F)cc1)NN=Cc1ccc(OC(=O)c2cccc3ccccc23)cc1 254398765 PNOBOBHRXYVDHL-UHFFFAOYSA-N 469.472 4.078 50 10 JIGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccccc3C)n2-c2ccccc2)cc1 254744861 XQQMHSOFGDHBLB-UHFFFAOYSA-N 457.559 4.494 50 10 JIGE Cc1ccccc1OCC(=O)N[C@H](C(=O)NN=Cc1ccc(OCc2ccccc2C#N)cc1)C(C)C 254822784 XZVCKKKUIMZUML-NDEPHWFRSA-N 498.583 4.116 50 10 JIGE C[C@H]1CN(S(=O)(=O)c2cc(Cl)c(Br)s2)C[C@@H](C)[C@@H]1Br 688092185 WBROIQMDKALYSH-MTBHXBHISA-N 451.633 4.204 50 10 JIGE Brc1cc([C@@H](Br)Cc2ncc[nH]2)ccc1I 721583317 BBUMHCSJHVVARD-QMMMGPOBSA-N 455.919 4.456 50 10 JIGE CCOc1ccccc1N(CC(=O)NN=Cc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 725402236 BLONOFUMYDABTG-UHFFFAOYSA-N 471.966 4.084 50 10 JIGE COc1ccccc1N(CC(=O)NN=C(C)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 1084042925 XAXZONOUWFBANH-UHFFFAOYSA-N 471.966 4.084 50 10 JIGE CC(=O)c1ccc(Br)c(NC(=O)NNc2cc(Cl)nc3c2c(C)nn3C)c1 1467188973 ROXYWSLJRWDMNS-UHFFFAOYSA-N 451.712 4.044 50 10 JIGE C=C1CCC(CNC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(OC)c(OC)c2)CC1 1651540927 IKYOLRUBKMDTSC-FYJGNVAPSA-N 459.550 4.251 50 10 JIGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1cc(OC)c(O)c(OC)c1)C(C#N)=C(N)O2 1865714821 QWJZKMRBCWPXIZ-HXUWFJFHSA-N 466.925 4.419 50 10 JIGE Cc1ccc(-c2ccc(C(=O)NNC(=O)c3ccc4c(c3)C(=O)N(CC(C)C)C4=O)c(C)n2)cc1C 1865756137 ILKPESYZJMNEPG-UHFFFAOYSA-N 484.556 4.001 50 10 JIGE CN(C[C@H]1C[C@@H](Br)C1)[C@@H](CN)c1ccc(Br)c(Br)c1 1887886578 SWBXOEIZJJBPIV-PXWWUCIGSA-N 455.032 4.317 50 10 JIGE CC(C)[C@@H]1[C@@H](Br)CCN1c1ncc(I)cc1Br 2015766064 IWFJHOBRBZLJQB-GXSJLCMTSA-N 473.978 4.447 50 10 JIGE O=C(CBr)c1c(OC(F)F)ccc(C(F)(F)F)c1I 2060377429 NBBYRRJUSBIADH-UHFFFAOYSA-N 458.946 4.489 50 10 JIGE O=C(NC1(CBr)CCCC1)c1ccc(Br)cc1I 2086148064 WEUZXCXRLFRGEO-UHFFFAOYSA-N 486.973 4.491 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1C[C@H](CBr)C2(CC2)C1 2087791587 DGGWFWJIQVAVSD-JTQLQIEISA-N 454.533 4.192 50 10 JIGE O=C(c1cc(Br)cc(Br)c1)N1C[C@@H](Br)[C@H](C2CC2)C1 2090684711 KREOWQRVEKYGJM-QWHCGFSZSA-N 451.984 4.457 50 10 JIGE CN(C)CCCN(Cc1ccccc1)S(=O)(=O)c1ccc(CCl)c(Br)c1 2095866127 FSGJIUXDKZTFNQ-UHFFFAOYSA-N 459.837 4.331 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CC[C@@H](CCl)C12CC2 2133824281 CTQXIHFCBNKVAU-VIFPVBQESA-N 454.533 4.287 50 10 JIGE O=C(N[C@H]1COC2(CCC2)[C@@H]1Br)c1cc(Br)c(Br)s1 2141547076 WQMBMUOPOZDKDV-IONNQARKSA-N 474.012 4.088 50 10 JIGE O=C(c1ccc(F)cc1I)N1C[C@H](Br)CC2(CCC2)C1 2151344561 FUOVTMKFMMMCGZ-SNVBAGLBSA-N 452.105 4.210 50 10 JIGE O=C(c1ccc(F)cc1I)N1C[C@@H]2CCC[C@@]2(CBr)C1 2159408691 MWJJWYYAWPBHEP-ZUZCIYMTSA-N 452.105 4.068 50 10 JIGE CCC[C@]1(NS(=O)(=O)c2ccc(CBr)cc2)CCN(C(=O)OC(C)(C)C)C1 2162600969 KJLCFBBBRNRFNV-IBGZPJMESA-N 461.422 4.040 50 10 JIGE CN(C[C@@H](Br)C1CCCC1)C(=O)c1ccc(I)c(O)c1 2167646788 NHULAEOUJSSAFC-GFCCVEGCSA-N 452.130 4.023 50 10 JIGE O=C(Cc1ccccc1I)NCC[C@H]1CCCC[C@H]1Br 2179630142 RZXJGQLDLULCAI-TZMCWYRMSA-N 450.158 4.294 50 10 JIGE C[C@@H]1CN(S(=O)(=O)c2cc(CBr)ccc2F)[C@H](C)CN1Cc1ccccc1 2179784896 FPCAURWCZGDKSE-HZPDHXFCSA-N 455.393 4.004 50 10 JIGE O=S(=O)(c1ccc(CBr)s1)N1CCC[C@@]2(CCN(Cc3ccccc3)C2)C1 2179813102 UVORSMGOIGESPC-FQEVSTJZSA-N 469.470 4.320 50 10 JIGE COc1c(CBr)cc(Cl)cc1S(=O)(=O)N(Cc1ccccc1)[C@H]1CCOC1 2179827804 JHYPSQZAKBBOKS-KRWDZBQOSA-N 474.804 4.223 50 10 JIGE CN([C@H]1CC[C@H]1OCc1ccccc1)S(=O)(=O)c1ccc(F)c(CBr)c1F 2179861211 DROCOAGYDWECOO-DLBZAZTESA-N 460.340 4.228 50 10 JIGE C[C@]1(CBr)COCCN(C(=O)c2cccc(Br)c2Br)C1 2199812164 LVZGKKZYHJGHCT-CQSZACIVSA-N 469.999 4.085 50 10 JIGE CCC[C@H]1CN(C(=O)c2ccc(C)c(I)c2)C[C@H]1CBr 2232830197 ZPLUQEYXCXCKGC-UONOGXRCSA-N 450.158 4.483 50 10 JIGE BrC[C@]12CCO[C@@H]1CN(Cc1cccc(Br)c1Br)C2 2278945031 GLJNTVZNJFPJLZ-OCCSQVGLSA-N 454.000 4.197 50 10 JIGE CCN(C[C@@](C)(CI)O[C@@H]1CC[C@@H]2[C@H]1C2(F)F)C(=O)OC(C)(C)C 2298193438 NEUHJNMMEDQNHS-BRXULGCHSA-N 459.315 4.497 50 10 JIGE COc1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2ccc(F)cc2)cc1 2314533664 STNFAECNEUQFLG-UHFFFAOYSA-N 456.433 4.180 50 10 JIGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)SC2=C(C#N)C(=O)NC)cc1 2314593955 WMHNENLHMNLSEV-IBGZPJMESA-N 470.392 4.184 50 10 JIGE O=C(N[C@@H]1C[C@@H]2C[C@H]1C[C@@H]2Cl)c1ccc(Br)cc1I 2333350528 ZANXYKHVPDGFGU-NIUIZCCNSA-N 454.533 4.189 50 10 JIGE COc1ccc(/C=N/NC(=O)COc2ccc(C(=O)Nc3cccc(Cl)c3C)cc2)cc1 959077 PLUBVVCWYRQXTO-VULFUBBASA-N 451.910 4.438 50 10 JIGE C/C(=N/NC(=O)[C@@]1(C)CC1(Br)Br)c1cccc(NC(=O)C2CCC2)c1 13136944 MSUYICCOBYEYGQ-FIJRTHIRSA-N 471.193 4.162 50 10 JIGE O=C(COc1ccccc1-c1ccccc1)NNC(=S)NC(=O)c1ccc(Cl)cc1Cl 13980034 FWBFZUULTKNONN-UHFFFAOYSA-N 474.369 4.375 50 10 JIGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(OC)cc4)ccc32)cc1 38658116 QYJTUDUBOGWLER-HHHXNRCGSA-N 484.508 4.463 50 10 JIGE Cc1ccc(Oc2ncnc(NNC(=O)c3ccc(Br)cc3)c2[N+](=O)[O-])cc1C 40657929 CMCRVZXGWZMRCC-UHFFFAOYSA-N 458.272 4.313 50 10 JIGE Nc1c(NNC(=O)c2ccccc2Br)ncnc1Nc1ccc(Br)cc1 40782266 HARNOVANLILZHF-UHFFFAOYSA-N 478.148 4.084 50 10 JIGE CC(C)(CBr)CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 135200659 KRUBCNUYIREYNN-UHFFFAOYSA-N 454.011 4.455 50 10 JIGE COc1ccc(C=NNC(=O)COc2c(Br)cc(C)cc2Br)cc1OC 252625391 QJCGVRNEGJONAY-UHFFFAOYSA-N 486.160 4.066 50 10 JIGE COc1ccc(C=NNC(=O)CSc2nnc(SCc3ccc(C)cc3)s2)c(OC)c1 254596328 UCZSCFPSTSDYMX-UHFFFAOYSA-N 474.633 4.398 50 10 JIGE COc1cc(C=NNC(=O)c2cc3ccccc3cc2O)ccc1OCC(=O)N1[C@@H](C)CCC[C@H]1C 254813446 MXKNCUFLVNVJLB-KDURUIRLSA-N 489.572 4.486 50 10 JIGE O=C(c1cc(Br)ccc1Br)N1CCSC[C@H]1CBr 387892954 PXLDMKGZGVXYIN-SECBINFHSA-N 458.013 4.164 50 10 JIGE C[C@H]1CCCN(C(=O)c2cc(I)ccc2O)[C@H]1CCBr 697199595 INWFATBCIMPANR-GWCFXTLKSA-N 452.130 4.023 50 10 JIGE COc1ccc(CNC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)cc1Br 725759392 CRJASORRMGEOQQ-UYRXBGFRSA-N 490.361 4.458 50 10 JIGE O=C(NCc1ccccc1-c1ccc(Cn2ccnc2)cc1)NNC(=O)c1ccc(Cl)cc1 729054943 QWSNBJTWJCCNRE-UHFFFAOYSA-N 459.937 4.396 50 10 JIGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)cc1 1204162523 NNENUVSABHRPEK-CYBMUJFWSA-N 458.927 4.286 50 10 JIGE C[C@@H]1C[C@H](Br)[C@H](Br)C[C@H]1[C@@H](Br)C(Br)=[N+]([O-])O 1615947821 JUPMDFYGLRIECU-JAJWTYFOSA-N 486.824 4.016 50 10 JIGE COC(=O)c1ccc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(F)cc2)CCC3)cc1 1772745406 YBMWVDFUSOUJJH-UHFFFAOYSA-N 464.449 4.203 50 10 JIGE COc1ccc(Cl)cc1NC(=O)COc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1 1858683146 BNPARDRNLSISAY-UHFFFAOYSA-N 472.841 4.280 50 10 JIGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@@H](c2ccncc2)C(C#N)=C(N)O3)cc1 1865702411 VFPJWFQHLZEAOA-QFIPXVFZSA-N 453.477 4.359 50 10 JIGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2Cl)ccc1O 1865706464 XKEWGPIONINREI-INIZCTEOSA-N 462.815 4.477 50 10 JIGE CC(=O)Nc1nc(-c2cccs2)c(CC(=O)NC(C)(C)C(=O)Nc2ccc(SC#N)cc2)s1 1866634206 VUKXADFJGFFWHZ-UHFFFAOYSA-N 499.643 4.479 50 10 JIGE O=C(c1scc(Br)c1Br)N1C[C@@H](Br)C(F)(F)C1 1946668600 PSDIVKVZIRJUSC-RXMQYKEDSA-N 453.928 4.128 50 10 JIGE O=S(=O)(c1cc(CBr)sc1Br)N1CC[C@H](OCc2ccccc2)C1 2009622280 OXTZZQOLOWFJRZ-ZDUSSCGKSA-N 495.258 4.385 50 10 JIGE CCn1cc(Br)c(C(=O)N(Cc2ccccc2)[C@H](CBr)C2CC2)n1 2010561732 IBNRWFZZTWTLTR-MRXNPFEDSA-N 455.194 4.481 50 10 JIGE Cn1ncc([C@@H](Br)c2cc(Br)c3c(c2)CCO3)c1I 2090461451 QSKBKSHXVQGZND-NSHDSACASA-N 497.956 4.206 50 10 JIGE O=C(N[C@@H]1C[C@H]2C[C@H]1C[C@H]2Br)c1ccc(I)c(Cl)c1 2104410074 CLZZIENLLALSNP-BSTOTGJRSA-N 454.533 4.236 50 10 JIGE Cc1cc(S(=O)(=O)N2CCN(Cc3ccccc3)C[C@@H](C)C2)sc1CBr 2123243422 JKQXLWFZMJFZCX-OAHLLOKOSA-N 457.459 4.094 50 10 JIGE Cc1sc(C)c(S(=O)(=O)N2CCS[C@H](CCBr)C2)c1Br 2143910211 INFHVYXZWMZSCH-SNVBAGLBSA-N 463.282 4.019 50 10 JIGE FC(F)(F)c1cnc(N2C[C@@H](CBr)C3(CC3)C2)c(I)c1 2144087596 GAPDTEZKOAATGZ-SECBINFHSA-N 461.063 4.316 50 10 JIGE C[C@H]1C[C@H](N(C)S(=O)(=O)c2ccc(CBr)cc2F)CN1Cc1ccccc1 2179790834 JHNJTASTXNUPQK-YJBOKZPZSA-N 455.393 4.004 50 10 JIGE C[C@@H]1CN(Cc2ccccc2)CCN(S(=O)(=O)c2ccc(CBr)cc2Cl)C1 2179792982 NCGDLAMQLVWCSI-MRXNPFEDSA-N 471.848 4.378 50 10 JIGE CN(C[C@@H](Br)COCc1ccccc1)S(=O)(=O)Cc1ccc(Br)cc1 2218988222 WRQVJRAOCRYXKU-GOSISDBHSA-N 491.245 4.191 50 10 JIGE COCc1cc(Br)c([C@@H](Br)c2nn(C)nc2Br)s1 2219811318 OKLXWDQNXOSAQE-ZETCQYMHSA-N 459.989 4.032 50 10 JIGE BrC[C@@]12COC[C@H]1CN(Cc1cccc(Br)c1Br)C2 2226184349 GGUDOCGGJGAXAG-BXUZGUMPSA-N 454.000 4.055 50 10 JIGE Cc1cc(Br)c(CBr)c(N(C)Cc2nn(C)nc2Br)c1 2235267244 ZQZUWMVCHPGWPR-UHFFFAOYSA-N 467.003 4.180 50 10 JIGE CCc1cccc2c(C=C(C#N)C(=O)NCc3ccc4c(c3)OCO4)cn(CC(=O)N3CCCCC3)c12 2313624626 YTNBAKWIFXDXRM-UHFFFAOYSA-N 498.583 4.168 50 10 JIGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)C(C#N)=Cc1ccc(C(C)C)cc1 2314793245 PKXJJBNSKJJDAR-UHFFFAOYSA-N 485.540 4.097 50 10 JIGE CC(C)(CI)CN1CC[C@@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C1 2326674799 DWENMQOTKDMNKM-CHWSQXEVSA-N 478.337 4.473 50 10 JIGE COc1cccc(-c2csc(C(C#N)=C(O)CNC(=O)c3cc(OC)c(OC)c(OC)c3)n2)c1 2331246358 FSZRQQLVABDHIT-UHFFFAOYSA-N 481.530 4.067 50 10 JIGE O=C(c1ccc(Br)cc1I)N1[C@H]2CC[C@@H]1C[C@H]2CBr 2333350769 GUUXAVLWNWHJPX-PLMOITTCSA-N 498.984 4.442 50 10 JIGE Cn1ncc([C@@H](Cl)c2cc3c(cc2Br)OCCC3)c1I 2369630743 CGMKUHVCSQXPLC-ZDUSSCGKSA-N 467.532 4.440 50 10 JIGE C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)COc1ccc(Cl)cc1Br 14031568 LNKDUEKWZAXEHB-ZDUSSCGKSA-N 477.742 4.249 50 10 JIGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2ccc(-c3cccc(C(=O)OC)c3C)o2)cc1 58894633 ODUPGCXEJGGXAO-JEWPKMHUSA-N 464.518 4.404 50 10 JIGE O=S1(=O)CC[C@@H]([C@@H](Br)c2cc(Br)sc2Br)C1 96846612 FYZXSNIVVQGPEV-SVGQVSJJSA-N 453.015 4.144 50 10 JIGE CCCCOc1ccc(/C=C(/C#N)C(=O)OCCCNC(=O)c2cc3ccccc3oc2=O)cc1 98027940 SMGDSYVXWFBQQB-PGMHBOJBSA-N 474.513 4.242 50 10 JIGE C[C@H](Br)C[C@H](C)NC(=O)c1cc(Br)ccc1I 235404998 ZCJXFGCXYGWKRT-YUMQZZPRSA-N 474.962 4.346 50 10 JIGE COc1ccc(C=NNC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)cc1COc1ccc(Cl)cc1 252601402 DZTWQXSNAQUKES-UHFFFAOYSA-N 485.928 4.190 50 10 JIGE CCCOc1ccc(C=NNC(=O)c2ccc(NS(=O)(=O)c3ccc(OCC)cc3)cc2)c(O)c1 254714449 XIOWDUYOLOXQIO-UHFFFAOYSA-N 497.573 4.144 50 10 JIGE CCCCOc1ccc(C=NNC(=O)C(=O)Nc2sc3c(c2C(=O)OCC)CC[C@@H](C)C3)cc1 254740414 UIYTYFKSTHHGBI-MRXNPFEDSA-N 485.606 4.317 50 10 JIGE O=C(/C=C\c1ccco1)Oc1cccc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)c1 254832948 WQTDNRNTGKPZFB-DNDCTXLCSA-N 466.493 4.285 50 10 JIGE C[C@H]1C[C@H](Br)CCN1C(=O)c1cc(Br)ccc1I 705612895 QTGRLEANTYCWJJ-WCBMZHEXSA-N 486.973 4.442 50 10 JIGE COc1ccc(NC(=O)C(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1Cl 725402260 JZMCOAFMEVUJTB-UHFFFAOYSA-N 459.333 4.498 50 10 JIGE Cc1oc(-c2ccsc2)nc1CC(=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1 726911356 MIQHNAQASNFTQE-UHFFFAOYSA-N 465.506 4.433 50 10 JIGE CCN(CC)C(=O)c1ccc(NC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)cc1 914466040 CLICTMIPHXVLRL-XLNRJJMWSA-N 466.545 4.491 50 10 JIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)ccc1O 1865706007 LPMFBATZWLKMND-QGZVFWFLSA-N 460.387 4.022 50 10 JIGE COc1cc(C(=O)NNC(=O)c2ccc(-c3ccc(Cl)cc3Cl)nc2C)cc(OC)c1OC 1865759771 RHDYOZXOJDIREC-UHFFFAOYSA-N 490.343 4.464 50 10 JIGE COc1ccc(/C=C(/C(=O)N2CCC[C@H](C(=O)NNc3ccccn3)C2)c2ccccc2)cc1OC 1873777969 XXIDSNVUBPMUGN-HFGSDPQMSA-N 486.572 4.021 50 10 JIGE CCOC(=O)Cc1cc(OC(F)(F)F)c(I)cc1CBr 2055273291 UQMXLJNBLVOTFW-UHFFFAOYSA-N 467.019 4.190 50 10 JIGE CO[C@]1(CBr)CCCN(Cc2ccc(I)c(Cl)c2)C1 2142950798 UVBMPRDNKDJOAL-AWEZNQCLSA-N 458.565 4.321 50 10 JIGE CC1(C)CN(Cc2ccccc2)CCN1S(=O)(=O)c1cc(CCl)ccc1Br 2159737053 MAOKDHAMTNHVLM-UHFFFAOYSA-N 471.848 4.473 50 10 JIGE CC1(C)CC[C@H](CBr)N(C(=O)c2cc(I)ccc2F)C1 2169667511 GPYCILMPSSEUKI-LLVKDONJSA-N 454.121 4.456 50 10 JIGE C[C@H]1C[C@H](N(C)S(=O)(=O)c2cc(CBr)ccc2F)CN1Cc1ccccc1 2179790750 ILQRQNVKCFHCLJ-YJBOKZPZSA-N 455.393 4.004 50 10 JIGE CN(Cc1ccccc1)[C@H]1CCCCN(S(=O)(=O)c2cccc(CBr)c2)C1 2179814965 AURQJHKFOIPARR-FQEVSTJZSA-N 451.430 4.257 50 10 JIGE O=S(=O)(c1csc(CBr)c1)N1CCC[C@]2(CCN(Cc3ccccc3)C2)C1 2179825812 LOLVZIXEBHTLOX-HXUWFJFHSA-N 469.470 4.320 50 10 JIGE CCCN[C@@H](c1cc(I)cc2c1OCC2)[C@H]1C[C@@H](Br)C1 2196881350 SGYOEEZRFWEYDK-TYNCELHUSA-N 450.158 4.440 50 10 JIGE BrC[C@@]12COC[C@@H]1CN(Cc1ccc(Br)cc1Br)C2 2226186060 NUGHRECPSCOQCC-SMDDNHRTSA-N 454.000 4.055 50 10 JIGE BrC[C@@]12CN(Cc3cc(Br)ccc3Br)C[C@@H]1CCO2 2231267537 RVMZJAHGNRCOQK-SMDDNHRTSA-N 454.000 4.197 50 10 JIGE Cc1sc(CBr)cc1S(=O)(=O)N1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 2234724519 ANLDPUKICBRWSK-HDICACEKSA-N 469.470 4.379 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1CC[C@H](Br)[C@@H]2CC[C@@H]21 2268347325 KXQQWANDVLJFSI-KWBADKCTSA-N 454.533 4.333 50 10 JIGE C[C@H]1[C@@H](CBr)CCN1C(=O)Cc1cc(Br)cc(Br)c1 2277915800 LZYZTWXEHHOICN-GXSJLCMTSA-N 454.000 4.386 50 10 JIGE C[C@@H]1CN(C(=O)Cc2cc(Br)cc(Br)c2)C[C@@H]1CBr 2277934733 KGHVHWOQVZNQCF-KOLCDFICSA-N 454.000 4.244 50 10 JIGE CC[C@H]1CN(C(=O)Cc2cc(Br)cc(Br)c2)C[C@H]1Br 2277936869 POKDKRDLUJJLQK-GXFFZTMASA-N 454.000 4.386 50 10 JIGE CCOc1ccc(C=C2C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1OCC 2314616934 NBBUKCRPZPNYSJ-UHFFFAOYSA-N 490.556 4.336 50 10 JIGE CCCCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)N3CCOCC3)cc2OC)cc1 2314793443 SGLRWQOIHWSBEW-UHFFFAOYSA-N 490.556 4.259 50 10 JIGE Clc1ccc(I)cc1CN1CCO[C@@H]2C[C@H](Br)C[C@@H]21 2352431074 CBWQFCSAAGDCDT-DDTOSNHZSA-N 456.549 4.071 50 10 JIGE O=C(CCC(=O)Nc1ccccc1Cl)NNC(=O)c1cccc(OCCc2ccccc2)c1 10331403 ISRLZXVSRCZVBQ-UHFFFAOYSA-N 465.937 4.141 50 10 JIGE COc1ccc(OC)c(NC(=O)COC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(F)cc3)c2C)c1 11458979 FWHMASKBYGRRGY-XDHOZWIPSA-N 477.492 4.339 50 10 JIGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@@H]3COc4ccccc4O3)ccc21 38700633 BJSZRXKRECOQGO-UIOOFZCWSA-N 484.508 4.439 50 10 JIGE COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1cc(C)cc(C)c1C 40880375 PFLJBJJRAVEEEN-CIAFOILYSA-N 474.513 4.421 50 10 JIGE COc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccc3c(c2)OCO3)C(=O)CCl)cc1 97914323 NQPCWKPQYQGQNF-XMMPIXPASA-N 472.969 4.182 50 10 JIGE COc1ccc(C(NC(=O)C(Cl)Cl)NC(=O)C(Cl)Cl)cc1OCc1ccccc1 101328867 SIDKYBBDUWNKSY-UHFFFAOYSA-N 480.175 4.113 50 10 JIGE CCOC(=O)c1c(NC(=O)C(=O)N/N=C/C(C)=C/c2ccccc2)sc2c1CC[C@H](C)C2 222116635 ZQPIMJCFQFITOW-ZIANBUNUSA-N 453.564 4.194 50 10 JIGE C[C@@H](CCBr)CNC(=O)c1cc(I)ccc1Br 235086573 VZJAALQIKGLBBQ-QMMMGPOBSA-N 474.962 4.205 50 10 JIGE COc1ccc(-c2nnc(SCC(=O)NN=C/C=C\c3ccco3)n2-c2ccc(OC)cc2)cc1 252616910 KIIJIIDVBSUBHZ-WYCVUTMGSA-N 489.557 4.452 50 10 JIGE O=C(NN=Cc1ccc(OC(=O)c2cccc3ccccc23)c([N+](=O)[O-])c1)c1ccc(O)cc1 254794754 KIKLVEWEPKKWIW-UHFFFAOYSA-N 455.426 4.437 50 10 JIGE O=C(Cn1cnc2ccccc2c1=O)N(N=Cc1ccccc1)c1cccc(C(F)(F)F)c1 255715661 ZDDAOSHLUHKGTC-UHFFFAOYSA-N 450.420 4.483 50 10 JIGE Cc1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)c(O)c1 382713081 IHZAXHFZCGIMEA-SJLPKXTDSA-N 451.304 4.488 50 10 JIGE Cc1nn(-c2cccc([N+](=O)[O-])c2)c(C)c1C=NNC(=O)CSCc1ccc(Cl)cc1 1084099712 WCGXBARIIVKLNY-UHFFFAOYSA-N 457.943 4.434 50 10 JIGE C=CCN(c1ccc(C(=O)NN=C(C)c2cccc([N+](=O)[O-])c2)cc1)S(=O)(=O)c1ccccc1 1084529770 MMEADPQMHXWSSU-UHFFFAOYSA-N 478.530 4.130 50 10 JIGE CC(=O)CN1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3C)n2)CC1 1868301777 XSKMTJYTIKONGC-UHFFFAOYSA-N 458.591 4.480 50 10 JIGE COc1ccc(/C=N/NC(=O)COc2ccc3c(C)cc(=O)oc3c2)cc1OCc1ccccc1 1873792813 NMBOIZVDSIYKGP-RWPZCVJISA-N 472.497 4.218 50 10 JIGE FC(F)Oc1cc(I)c(CBr)c(I)c1 2060284636 KLADJSNLWLINCA-UHFFFAOYSA-N 488.835 4.392 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@H]2C[C@H]1CC[C@H]2Cl 2088642870 BFFYGNKTVJJDNM-ZDSQKVDBSA-N 454.533 4.286 50 10 JIGE CN(C(=O)c1cccc(I)c1)C1(CBr)CCSCC1 2114715947 GOVUQQQCLSLEMO-UHFFFAOYSA-N 454.171 4.024 50 10 JIGE CN(C[C@@H]1CCCCN1Cc1ccccc1)S(=O)(=O)c1ccccc1CBr 2179812134 MBMZCNDCDDTCOY-FQEVSTJZSA-N 451.430 4.257 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1CC[C@H](CBr)C12CC2 2190356880 AWBRKDXGVSRRJT-SECBINFHSA-N 488.039 4.150 50 10 JIGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1C[C@H]2C[C@H]1[C@H]2CBr 2203022621 WAFKYEFLYOVIQL-ZYAQMDEOSA-N 464.006 4.160 50 10 JIGE C[C@H](CBr)CC1CN(S(=O)(=O)c2cc(Cl)c(Br)s2)C1 2230652803 IKFYXMSSJSIKHJ-ZETCQYMHSA-N 451.633 4.206 50 10 JIGE COc1ccccc1C=CC(=O)Oc1ccc(C=C(C#N)C(=O)NCc2ccco2)cc1OC 2314749011 XTQHUOKLMYFZQZ-UHFFFAOYSA-N 458.470 4.139 50 10 JIGE C#CC[C@](C)(CBr)CNC(=O)c1ccc(Cl)cc1I 2340058661 PRACZLDODONXPO-CQSZACIVSA-N 454.533 4.099 50 10 JIGE C=C[C@@]1(CBr)COCCN1Cc1ccc(Cl)cc1I 2341052495 TVCSSDKPRWJKBF-CQSZACIVSA-N 456.549 4.097 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@H]2CC[C@H](Br)[C@H]2C1 2360166545 QPBGGIDCMDPBFK-SWHYSGLUSA-N 466.011 4.386 50 10 JIGE CCN1CCC[C@@H]([C@H](Br)c2ccc(Cl)cc2I)S1(=O)=O 2365558660 KHICASOTVNHIEB-QWHCGFSZSA-N 492.604 4.195 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@H]2CC[C@H]1[C@H](Br)C2 2377469457 ZLYDWXWRMJBCJB-AXTRIDKLSA-N 488.039 4.148 50 10 JIGE CC[C@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)COc2ccccc2[C@@H](C)CC)c1 10670323 ZLZCOTGHKMFRIM-IRXDYDNUSA-N 457.596 4.092 50 10 JIGE COc1ccc(C(=O)NNC(=S)NC(=O)c2sc3ccccc3c2Cl)cc1Br 12502528 BMIHXQGQQXVFTK-UHFFFAOYSA-N 498.811 4.275 50 10 JIGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 14030147 KWVKAMJKGGPMFT-ZDUSSCGKSA-N 484.405 4.275 50 10 JIGE C=CCOc1ccc(C(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1OC 24581435 DLBDNDDUDWRFCJ-UHFFFAOYSA-N 453.322 4.187 50 10 JIGE Cc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)NCc3ccc4c(c3)OCO4)c(C)c21 40811473 PIXIWIIGMUIVFJ-TURZUDJPSA-N 459.502 4.026 50 10 JIGE COc1cc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2C[C@@]3(C)C[C@@H]2CC3(C)C)cc(OC)c1OC 59488575 SWQARCBVKYUQQS-NCQCMQEJSA-N 496.564 4.399 50 10 JIGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)N/N=C(\C)c1ccccc1O 59829641 VZXQIMYJTVLSPO-WBILBPDKSA-N 485.013 4.456 50 10 JIGE CCCCCCOc1cc(C(NC(=O)C(Cl)Cl)NC(=O)C(Cl)Cl)ccc1OC 101328791 PZWASEOWABIXMM-UHFFFAOYSA-N 474.212 4.493 50 10 JIGE CCOc1cc(/C=N/NC(=O)c2cc(-c3ccc(F)cc3)nc(O)n2)cc(Cl)c1OCC 169924015 FJULCLNVOJNLDV-BRJLIKDPSA-N 458.877 4.203 50 10 JIGE CC(C)(C)[Si](OC[C@H]1[C@@H]2CC(=O)O[C@@H]2C[C@H]1O[C@@H]1CCCCO1)(c1ccccc1)c1ccccc1 196138848 KKUBBAJCNWPXGW-YAMPZCFJSA-N 494.704 4.426 50 10 JIGE C[C@H]1CCN(S(=O)(=O)c2cc(Br)ccc2Br)[C@@H]1CBr 227193115 WUWWOBMCNAMBQQ-GZMMTYOYSA-N 476.028 4.006 50 10 JIGE COc1cc(C=NNC(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)ccc1OC(C)C 254430443 UYVHKAVBKNRFNQ-UHFFFAOYSA-N 490.585 4.380 50 10 JIGE Cn1ncc(Br)c1[C@H](Br)c1cc2c(cc1Br)OCCO2 693083004 FDJIGZIFDKHTJT-GFCCVEGCSA-N 466.955 4.201 50 10 JIGE O=C(CCOc1ccccc1)NNC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12 727737972 YPBJNGXBQZLEHN-UHFFFAOYSA-N 460.465 4.136 50 10 JIGE COc1ccc(C(=O)NNC(=O)Cc2c(C)nc3ccccc3c2-c2ccccc2)c(OC)c1 730495421 OIPWRCCASXYOCJ-UHFFFAOYSA-N 455.514 4.231 50 10 JIGE CC(=O)c1csc(C(=O)NNC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)c1 1641127751 KBGRLUTZFIJZMZ-UHFFFAOYSA-N 450.545 4.194 50 10 JIGE C=CCC[C@H](NC(=O)NNC(=O)COc1ccc(OC)cc1)c1ccc(C(F)(F)F)cc1 1679303938 CLIHJMDAPRUCQO-IBGZPJMESA-N 451.445 4.131 50 10 JIGE COC(=O)c1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2OC)CCC3)cc1 1772746227 SICGOLDOPRUGLU-UHFFFAOYSA-N 475.501 4.106 50 10 JIGE COc1ccc(C=NNC(=O)COc2cc(C)c(Cl)c(C)c2Br)c(OC)c1 1772756510 GOHNFIPCJLFWJB-UHFFFAOYSA-N 455.736 4.266 50 10 JIGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1865715009 SSJBJGSGRNBFGR-OAQYLSRUSA-N 451.442 4.371 50 10 JIGE C[C@@H](Br)[C@H]1CCCN1S(=O)(=O)c1cc(Br)ccc1Br 1879181227 GUZWRFGUDYUWPC-LDYMZIIASA-N 476.028 4.148 50 10 JIGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1CC[C@](F)(CBr)C1 1917122261 COWCONUWBRJEFN-NSHDSACASA-N 469.985 4.254 50 10 JIGE O=P(c1ccccc1)(c1ccccc1)c1nc(C=Cc2ccccc2)oc1N1CCOCC1 2059862040 TZTQWRZOXVEFBJ-UHFFFAOYSA-N 456.482 4.321 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@@H]2CC[C@H](Cl)[C@H]2C1 2087941848 WWHICYXXAHLETP-UWJYBYFXSA-N 454.533 4.143 50 10 JIGE BrC[C@@H]1C[C@@H]2OCC[C@@H]2N1Cc1ccc(Br)cc1Br 2092260316 FTDGLQILGSDNPF-UBHSHLNASA-N 454.000 4.338 50 10 JIGE O=C(c1c(Br)cccc1Br)N1C[C@@H](Br)[C@@H](C2CC2)C1 2094098852 JBDAAFNFTIGVSM-BXKDBHETSA-N 451.984 4.457 50 10 JIGE Cc1csc(CBr)c1S(=O)(=O)N1CCC(N(C)Cc2ccccc2)CC1 2123238957 ZNUIDXCRHNOKPM-UHFFFAOYSA-N 457.459 4.237 50 10 JIGE O=C(Cc1ccccc1I)N1CCC(CCCBr)CC1 2143873466 ROODGVAAMQAPTG-UHFFFAOYSA-N 450.158 4.247 50 10 JIGE O=C(c1ccc(I)cc1)N1CC[C@](CBr)(C(F)(F)F)C1 2167676757 JKTRYZYWEHHJQF-GFCCVEGCSA-N 462.047 4.081 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2CC=C[C@@]2(C)CBr)cc1Br 2237161134 VSAOWZVMCFYFAF-ZDUSSCGKSA-N 488.039 4.234 50 10 JIGE O=C(CCCNC(=O)OCC1c2ccccc2-c2ccccc21)NC[C@H]1C[C@@H]1Br 2241637880 OXUJRQGSVQSLBF-VFNWGFHPSA-N 457.368 4.205 50 10 JIGE O=C(N[C@H](CBr)c1cccs1)c1c(F)cccc1I 2267669639 ONOUCXQEQWOXTI-SNVBAGLBSA-N 454.102 4.358 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1C[C@@H]2[C@H](CBr)C[C@H]2C1 2268345759 OEJJZJBSNXAGNQ-GARJFASQSA-N 454.533 4.048 50 10 JIGE C[C@](CBr)(NC(=O)c1ccc(Cl)c(I)c1)C(F)(F)F 2268349891 YRARKEGGVNTWGB-SNVBAGLBSA-N 470.454 4.390 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@H]2CC[C@H]1C[C@H]2Br 2337154280 DIMKFZPLQSFOCX-DFAYQTQMSA-N 498.984 4.442 50 10 JIGE O=C(COc1cccc2ccccc12)NNC(=S)NC(=O)c1cccc(OCCc2ccccc2)c1 10334242 YVLXZFHTMQFDEF-UHFFFAOYSA-N 499.592 4.176 50 10 JIGE Cc1ccc(O[C@H](C)C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 13989372 ZPWXWGJVYUYVLM-OAHLLOKOSA-N 463.372 4.049 50 10 JIGE Cc1ccc(C(=O)NNC(=O)CCCCCN2C(=O)/C(=C/c3cccs3)SC2=S)cc1 33914144 OBWCHRZVVCSRJF-JXAWBTAJSA-N 473.645 4.279 50 10 JIGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)c(OC)c1 38657027 NPMHMSSJQIAZIB-SGANQWHYSA-N 490.487 4.434 50 10 JIGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3Cl)ccc2[C@H]1c1cccc([N+](=O)[O-])c1 40527364 OLUIBQISRAFUTB-HSZRJFAPSA-N 477.860 4.451 50 10 JIGE Cc1c(C(=O)Nc2ccc(Cl)cn2)oc2c1/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 40814605 BJGVTXYBAORIAL-WPWMEQJKSA-N 481.896 4.196 50 10 JIGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(OCC)c(I)c2)cc1 58893951 DKHZHGATRXYMOD-JVMBGAFUSA-N 496.345 4.053 50 10 JIGE Nn1c(CCc2ccccc2)nnc1SCCCC(=O)N/N=C/c1cccc(Cl)c1Cl 58989674 PLJSHAAHMCWLRS-AFUMVMLFSA-N 477.421 4.107 50 10 JIGE O=C(N/N=C(\c1ccccc1)c1ccncc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 96095920 BGGYWYPGBHMNID-SOYKGTTHSA-N 456.527 4.065 50 10 JIGE O=C(NC[C@H]1CCC[C@@H]1Br)c1cc(Br)ccc1I 232462165 HPUQGNQKYJWFFK-KCJUWKMLSA-N 486.973 4.347 50 10 JIGE O=C(NN=Cc1ccc(N2CCOCC2)cc1)c1ccc(COc2cccc3cccnc23)cc1 254291489 CHSKQOASTBJPJC-UHFFFAOYSA-N 466.541 4.414 50 10 JIGE CC(=NNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1C)c1ccccc1O 254395047 GCCGSVYIQVPFHN-UHFFFAOYSA-N 458.543 4.032 50 10 JIGE Cn1ncc([C@@H](Cl)c2cc3c(cc2Br)OCC3)c1I 308422699 ZXQIFTXIENZKCF-LBPRGKRZSA-N 453.505 4.050 50 10 JIGE O=S(=O)(NCCC1(CBr)CC1)c1cc(Br)ccc1Br 395872617 KEVOVHVVXKJHGH-UHFFFAOYSA-N 476.028 4.055 50 10 JIGE O=C(NCC1(CBr)CCOCC1)c1scc(Br)c1Br 700894992 XJNVFUMDMNMKQC-UHFFFAOYSA-N 476.028 4.195 50 10 JIGE C[C@@H](COc1c(Br)cc(Br)cc1CBr)CS(C)(=O)=O 706187484 FLOQDSCFEBCTEA-QMMMGPOBSA-N 479.028 4.166 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C2CCC1(CCl)CC2 722979370 JXDSRKMDRGCVSL-UHFFFAOYSA-N 454.533 4.430 50 10 JIGE Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)C1CCN(c2nc3ccccc3s2)CC1 727365955 OYEMQKJANFVBLR-UHFFFAOYSA-N 477.615 4.406 50 10 JIGE C=CCN1CCC(NC(=O)NNC(=O)c2ccc(COc3ccc4ccccc4c3)cc2)CC1 1226834380 OFFIEVPJRAQRHV-UHFFFAOYSA-N 458.562 4.013 50 10 JIGE C/C(=C\C(=O)NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)c1cccc(Cl)c1 1618649935 QCZGFCULYVEGGJ-BMRADRMJSA-N 457.921 4.452 50 10 JIGE COc1cccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2cncc(Br)c2)CCC3)c1 1772746120 CFDZHSHHHHPVLS-UHFFFAOYSA-N 497.349 4.477 50 10 JIGE COc1ccc(OC)c(S(=O)(=O)NNC(=O)c2ccc(-c3ccc4ccccc4c3)s2)c1 1860405705 UGMPRYKBFKMCOS-UHFFFAOYSA-N 468.556 4.209 50 10 JIGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)ccc1O 1865681140 FYKUEYNNYOYTBN-GOSISDBHSA-N 474.414 4.412 50 10 JIGE N#CSc1ccc(NC(=O)[C@H](NC(=O)CCc2nc(O)c3ccccc3n2)c2ccccc2)cc1 1867260799 JRDVJNPCIBDJDO-XMMPIXPASA-N 483.553 4.337 50 10 JIGE C[C@H](Br)[C@H](NC(=O)c1ccc(I)c(Cl)c1)C(F)(F)F 1882652936 RQMQGGBDLCOGMM-CDUCUWFYSA-N 470.454 4.389 50 10 JIGE CN(C[C@H](Br)COCc1ccccc1)S(=O)(=O)c1cc(Br)cs1 1916355779 YTIILIMOMNMJLO-AWEZNQCLSA-N 483.247 4.111 50 10 JIGE CCCN1CC[C@H]([C@@H](Cl)c2cc(Br)sc2Br)S1(=O)=O 2089512599 YYQIDOCHCGBZQM-SCZZXKLOSA-N 451.633 4.367 50 10 JIGE O=C(c1ccc(Br)cc1Br)N1C[C@@H]2C[C@H](C[C@@H]2Br)C1 2107292381 IGWLNCQYJKDSJZ-PTRXPTGYSA-N 451.984 4.457 50 10 JIGE Cc1cc(S(=O)(=O)N2CCC[C@H](N(C)Cc3ccccc3)C2)sc1CBr 2123233482 FEBTVSUVDGSINT-KRWDZBQOSA-N 457.459 4.237 50 10 JIGE Cc1cc(S(=O)(=O)N2CC(F)(F)C[C@]2(C)CBr)sc1Br 2159045870 DRPOWMFUFBTVNJ-SNVBAGLBSA-N 453.168 4.002 50 10 JIGE CC(C)(C)OC(=O)NC[C@H]1CC[S@@](=O)(=NCCCCCI)C1(C)C 2214710883 DKAVNHKQHUWPMF-SHACYNPGSA-N 472.433 4.383 50 10 JIGE COc1cc(Br)c(C)cc1[C@H](Br)c1nn(C)nc1Br 2226971452 CNLSFVUHBODPOQ-JTQLQIEISA-N 453.960 4.141 50 10 JIGE O=C(Cn1c(-c2ccccn2)nc2ccccc21)NN=Cc1ccccc1OC(=O)C=Cc1ccco1 2295880079 UWIJKEIBGBDNPS-UHFFFAOYSA-N 491.507 4.460 50 10 JIGE CC(=Cc1ccccc1)C=C(NC(=O)c1ccccc1)C(=O)NN=Cc1cccc([N+](=O)[O-])c1 2297322326 ZLKJFDMRPNMYGE-UHFFFAOYSA-N 454.486 4.462 50 10 JIGE O=C(N[C@H]1C[C@@H](CBr)[C@H]2C[C@H]12)c1scc(Br)c1Br 2309230657 PPHNNCPUTCSBEU-XQXXSGGOSA-N 458.013 4.422 50 10 JIGE C=CCOc1ccccc1C(=O)NNC(=O)COc1c(Cl)cc(Cl)cc1Br 9779847 YLUUKSHWLWIHHM-UHFFFAOYSA-N 474.138 4.161 50 10 JIGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)c1ccccc1Cl 12483784 CRVJGLRNVNSSCM-UHFFFAOYSA-N 476.552 4.013 50 10 JIGE COc1ccc(/C=N/NC(=O)c2cc(O)cc(O)c2)cc1CSc1nc(C)cc(C(F)F)n1 20353460 NMKCLIADKUMJMP-KIBLKLHPSA-N 474.489 4.199 50 10 JIGE COc1ccc2cc3c(nc2c1)N(c1ccc(C(=O)NNC(=O)c2ccccc2OC)cc1)CC3 39881718 NVGMDGGRUBSRCK-UHFFFAOYSA-N 468.513 4.021 50 10 JIGE COc1ccc([C@H](C(=O)NCCc2ccccc2)N(Cc2ccccc2OC)C(=O)CCl)cc1 97915100 SONYIYVWNYGXDF-AREMUKBSSA-N 480.992 4.371 50 10 JIGE N#C/C(C(=O)NC1CCCC1)=C1\N=C(NC(=O)c2ccc(Cl)cc2Cl)c2ccccc21 102673712 RGBNXVZWHVHMME-CZIZESTLSA-N 453.329 4.477 50 10 JIGE Cc1cc(S(=O)(=O)N[C@](C)(CBr)c2ccccc2)sc1Br 134452486 OATDZCVGMOYQMT-CQSZACIVSA-N 453.221 4.408 50 10 JIGE CC(C)C[C@H](CBr)NS(=O)(=O)c1cc(Br)ccc1Br 136938523 OJJPYWBKCNLDRQ-SNVBAGLBSA-N 478.044 4.300 50 10 JIGE CC(C)COc1cccc(/C=N\NC(=O)c2ccc(Nc3nc4ccccc4c(=O)[nH]3)cc2)c1 169927904 KUYIPIXHEBNAHZ-DICXZTSXSA-N 455.518 4.465 50 10 JIGE CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cc1 206277197 DIFIDXYJDXIMLI-VBKFSLOCSA-N 455.561 4.424 50 10 JIGE CC(C)[C@@H](CI)NC(=O)c1cc(Br)c(Br)s1 232693205 VLUBULCRPSKZFB-SSDOTTSWSA-N 480.991 4.463 50 10 JIGE COc1cc(C[C@H](Cl)c2cc(I)ccc2Br)ncn1 234996169 ZKLFWTDCWJMTOO-LBPRGKRZSA-N 453.505 4.375 50 10 JIGE CC(=NNC(=O)CSc1nnc(SCc2ccccc2)s1)c1ccc([N+](=O)[O-])cc1 254896693 HCIBZFKTMNLFLH-UHFFFAOYSA-N 459.578 4.371 50 10 JIGE CO[C@@]1(COc2c(Br)cc(Br)cc2CBr)CCOC1 692460634 CWPFJYLMHQVUBZ-ZDUSSCGKSA-N 458.972 4.291 50 10 JIGE Cn1cc(Br)c([C@H](Cl)c2cc(I)cc3c2OCC3)n1 710316029 SDEMOPYXNFBSBJ-LLVKDONJSA-N 453.505 4.050 50 10 JIGE Cc1cc(C=NNC(=O)CN(c2ccccc2)S(C)(=O)=O)c(C)n1-c1cccc(Cl)c1Cl 1084044304 FMNDQRYACUIVPU-UHFFFAOYSA-N 493.416 4.317 50 10 JIGE CCOc1ccccc1N(CC(=O)NN=C(C)c1ccc(C)cc1)S(=O)(=O)c1ccccc1 1084072940 UGRBLGZYCVISQZ-UHFFFAOYSA-N 465.575 4.129 50 10 JIGE CCOC(=O)c1c(NC(=O)NN=Cc2cc(Br)c(O)c(OC)c2)sc2c1CCC2 1772752999 ZAMIUPWHEMWSEX-UHFFFAOYSA-N 482.356 4.046 50 10 JIGE C[C@H]1CC[C@@H](CBr)N(c2ncc(I)cc2Br)C1 2015757028 NNMZYBQFDRUUNJ-WPRPVWTQSA-N 473.978 4.449 50 10 JIGE C[C@H]1C[C@H](Br)CN1C(=O)c1ccc(Br)cc1I 2026222539 ZQCFVORKTILSMP-CBAPKCEASA-N 472.946 4.052 50 10 JIGE O=C(c1csc(Br)c1Br)N1C[C@@H]2C[C@H](CBr)[C@@H]2C1 2053982670 KYGDWCGYAQWZMY-CSMHCCOUSA-N 458.013 4.376 50 10 JIGE CCN(C[C@](C)(CI)O[C@H]1C[C@@H](n2cccn2)C1)C(=O)OC(C)(C)C 2063780939 MSFHZQOWLWXDOH-DAYGRLMNSA-N 463.360 4.054 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@H]2C[C@H]1C[C@@H]2Br 2086151933 UVKGWQMLUWRNIY-HDBBIHSSSA-N 484.957 4.052 50 10 JIGE O=C(c1cccc(Br)c1Br)N1C[C@@H]2CC[C@H](Br)[C@H]2C1 2092335858 RKCFWXXSFJJUOK-LSJOCFKGSA-N 451.984 4.457 50 10 JIGE O=C(c1cc(Br)cc(Br)c1)N1C[C@H]2C[C@H](Br)C[C@H]2C1 2128629701 BLDFQJLOOLGFQS-URLYPYJESA-N 451.984 4.457 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@H]2C[C@@H](Cl)C[C@H]2C1 2128655290 RRIUQEZTFMHRAJ-DOFRTFSJSA-N 454.533 4.143 50 10 JIGE O=C(c1ccc(Br)cc1Br)N1CC2(CC(CBr)C2)C1 2129954446 JGCPXGBLCUKXEB-UHFFFAOYSA-N 451.984 4.459 50 10 JIGE C[C@H](Br)CCc1cn(Cc2cc(Cl)ccc2I)nn1 2132761881 OTYKUXKWWLDCSC-VIFPVBQESA-N 454.537 4.300 50 10 JIGE CS[C@H]1CCCN(S(=O)(=O)c2cc(CBr)sc2Br)CC1 2179793299 RVQWMLPACRIXNI-VIFPVBQESA-N 463.282 4.312 50 10 JIGE Cc1cc(CBr)cc(S(=O)(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)c1C 2179862456 WOZIJSHKLRHNOQ-HXUWFJFHSA-N 451.430 4.093 50 10 JIGE Cc1cc(CBr)cc(S(=O)(=O)N2CCN(Cc3ccccc3)C[C@H]2C)c1C 2179863591 OUACIIBVUNCRJQ-QGZVFWFLSA-N 451.430 4.093 50 10 JIGE CN(C[C@H]1C[C@H]1Br)S(=O)(=O)c1ccc(Cl)c(CBr)c1Cl 2196935239 LGUUYJAWFIYHBL-VXNVDRBHSA-N 466.022 4.292 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N[C@H]2C[C@H](CCBr)C2)cc1Br 2199060844 YVRYWYYPSXPGIY-MGCOHNPYSA-N 490.055 4.362 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1C[C@H]2CC[C@H]1C[C@H]2Br 2337151221 MYCXYXBELGMNMI-OUAUKWLOSA-N 454.533 4.333 50 10 JIGE CC(C)[C@H]1C[C@@](NCCSSCCNC(=O)OC(C)(C)C)(C(=O)O)CN1Cc1ccccc1 2349637769 BQJZXGSFLPOATF-YKSBVNFPSA-N 497.727 4.236 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]21 2350100062 UOUANGUQDXUKJV-PWSZPPJVSA-N 496.695 4.321 50 10 JIGE Cc1cc(S(=O)(=O)N2CC[C@@H]3CC[C@H](C2)N3Cc2ccccc2)sc1CBr 2355843405 RDZKAEYMLWAPHE-ZWKOTPCHSA-N 469.470 4.379 50 10 JIGE CC(=O)N1C(=O)[C@@]2(C(C#N)=C(N)OC3=C2C(=O)C[C@H](c2ccc(C(C)C)cc2)C3)c2ccccc21 2241247 IBKPFXWSEPLUBE-HMILPKGGSA-N 467.525 4.066 50 10 JIGE CC[C@@H](C)c1ccccc1O[C@H](C)C(=O)NNC(=O)COc1ccc(C)cc1Br 9872890 AUKFBHZDGZQZHU-HZPDHXFCSA-N 463.372 4.265 50 10 JIGE C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=S)NC(=O)c1ccc(Cl)cc1Cl 14031711 IMSLLZSDDDWRDE-GFCCVEGCSA-N 462.358 4.250 50 10 JIGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccccc1[N+](=O)[O-] 14648253 BFHKNGXFTXOVMG-UHFFFAOYSA-N 464.316 4.391 50 10 JIGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2c(C)n(C)c3ccccc23)cc1OC 33403232 XPEKPBFSPMOGRD-JQIAJBJISA-N 496.567 4.425 50 10 JIGE C=CCNC(=O)/C(C#N)=C\c1ccc(OC(=O)[C@H](C)Oc2cccc(Br)c2)c(OC)c1 33631854 AHABLXOIYGYJRS-ZCQLHAAUSA-N 485.334 4.040 50 10 JIGE COc1cccc(NC(=O)/C(C#N)=C/c2c(Oc3ccccc3F)nc3c(C)cccn3c2=O)c1 39993007 JYPVDCKETOGQRT-GHRIWEEISA-N 470.460 4.489 50 10 JIGE O=C(N/N=C/c1cc(Br)c(O)cc1O)c1cc2cc(Br)ccc2o1 59303816 UGCJKOUUBSZPFM-FBCYGCLPSA-N 454.074 4.133 50 10 JIGE C=CCOc1cc(Br)c(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OC 59333068 YBFICAYABGHVCI-XMHGGMMESA-N 482.378 4.278 50 10 JIGE Cc1sc(Br)cc1S(=O)(=O)N[C@@H](CBr)Cc1ccccc1 136904142 FMBFIOXPFNEABY-GFCCVEGCSA-N 453.221 4.104 50 10 JIGE O=C(COc1ccc(C=NNC(=O)c2cccc(Br)c2)cc1)Nc1cccc([N+](=O)[O-])c1 252638696 YEKZHZKSCPXIFW-UHFFFAOYSA-N 497.305 4.139 50 10 JIGE COc1ccc(C(C)=NNC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C)cc2)cc1 254288425 AKQUIIYLWVCOTB-UHFFFAOYSA-N 472.570 4.335 50 10 JIGE CCN1C(=O)C(=NNC(=O)c2ccc(COc3cccc4cccnc34)cc2)c2ccccc21 254590289 YBPMRMWCUVPYDO-UHFFFAOYSA-N 450.498 4.314 50 10 JIGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2cccc3ccccc23)sc2c1CC[C@H](C)C2 254742956 DFABZSGZGUEABC-HNNXBMFYSA-N 463.559 4.292 50 10 JIGE CC(=NNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)c1cccnc1 254749469 SKUYYXOTSTUMEV-UHFFFAOYSA-N 489.626 4.354 50 10 JIGE CC[C@H](Br)[C@H](C)NS(=O)(=O)c1cc(Br)c(C)cc1Br 386693034 KURKNSLPYVZQHL-IUCAKERBSA-N 478.044 4.360 50 10 JIGE C[C@H](CBr)[C@H]1CCCCN1C(=O)c1cccc(F)c1I 721696411 FQPBMOGQQHQPPD-ZWNOBZJWSA-N 454.121 4.456 50 10 JIGE CS(=O)(=O)Cc1ccc(NC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)cc1 746388074 IEOQFNAJBAQHRH-CPNJWEJPSA-N 493.976 4.207 50 10 JIGE CC(=NNC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)c1cccs1 1084220129 LBYLSVKHRXGHQM-UHFFFAOYSA-N 492.420 4.246 50 10 JIGE Cc1cc2ncn(CC(=O)NN=Cc3ccccc3OCc3ccc(C(=O)O)cc3)c2cc1C 1084354312 LERVBCKUNJHWCL-UHFFFAOYSA-N 456.502 4.081 50 10 JIGE C=CC1(CC(=O)NNC(=O)c2ccc(-c3ccc(F)cc3)s2)CN(C(=O)OC(C)(C)C)C1 1618627393 KPSKJWREMIGVAA-UHFFFAOYSA-N 459.543 4.128 50 10 JIGE Cc1c(C(=O)N2CCCCCC2)oc2c1C(=NNC(=O)c1cncc(Br)c1)CCC2 1772748382 WQQCCSOZDDOTNN-UHFFFAOYSA-N 473.371 4.232 50 10 JIGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 1865705846 HCNIRBAWGQYQKF-INIZCTEOSA-N 457.368 4.026 50 10 JIGE C[C@H](CBr)N(Cc1ccccc1)S(=O)(=O)[C@H]1C[C@H](OCc2ccccc2)C1 1954526972 PDDAKBORUKMVHV-DUXKGJEZSA-N 452.414 4.350 50 10 JIGE CC[C@H]1CN(c2ncc(I)cc2Br)C[C@H]1Br 1988533459 VVTOGURUHUKGTQ-OIBJUYFYSA-N 459.951 4.058 50 10 JIGE Cc1cc(-n2nc(CBr)c(I)c2C(F)(F)F)cc(F)n1 2078924141 SNIMFQFWGYGLQC-UHFFFAOYSA-N 463.998 4.233 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H]2CC[C@@H](Br)[C@H]2C1 2087938486 XNBLXAPSHSZVNU-GARJFASQSA-N 498.984 4.299 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CCC(F)(CCl)CC1 2101288270 HQDSTEMKTMYCSA-UHFFFAOYSA-N 460.512 4.237 50 10 JIGE O=C(c1csc(I)c1)N1C[C@@H](CBr)C2(CCCC2)C1 2118598677 YBTPOCBMGMPBPU-LLVKDONJSA-N 454.171 4.380 50 10 JIGE COCCN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)cc(CBr)c1OC 2123248092 UQYVZJULVOJUBU-UHFFFAOYSA-N 462.793 4.081 50 10 JIGE Cc1c(Br)cc(CBr)cc1S(=O)(=O)N1CC=C(Br)CC1 2179825546 IFUBKTNKFHAUOI-UHFFFAOYSA-N 488.039 4.326 50 10 JIGE COc1cc(CNCCSSCCNC(=O)OC(C)(C)C)cc(Br)c1OC 2181745960 FMHWQGBPUUXTFG-UHFFFAOYSA-N 481.478 4.462 50 10 JIGE CC1(C)OCCO[C@H]1CO[C@@H](CI)c1ccc(Br)cc1 2186963786 NSEDGQHIWIUNAR-KBPBESRZSA-N 455.130 4.136 50 10 JIGE O=C(c1cc(Br)ccc1Br)N1CC[C@@H](OCCCBr)C1 2207042307 CQQYZOLJFRCJDR-LLVKDONJSA-N 469.999 4.228 50 10 JIGE O=C(NCCC(F)(F)CBr)c1ccc(Cl)c(I)c1 2256390307 OLVXPIISSIIJAP-UHFFFAOYSA-N 452.464 4.095 50 10 JIGE CCOc1cc(C=C(C#N)c2nn(CCO)c(N)c2C#N)ccc1OCc1ccc(Cl)cc1 2296739247 KSTUEVVKJFBSFK-UHFFFAOYSA-N 463.925 4.025 50 10 JIGE COc1cc(C=C2C(=N)N3N=C(c4ccc(C)cc4)SC3=NC2=O)ccc1OCCBr 2297499872 GITGGHZTVKPGOJ-UHFFFAOYSA-N 499.390 4.445 50 10 JIGE CC(=NNC(=O)c1ccc(-c2ccc(F)c(F)c2)nc1C)c1ccc2c(c1)N(C)C(=O)[C@H](C)O2 2321261012 QTVXFWFAWLVLQR-HNNXBMFYSA-N 464.472 4.233 50 10 JIGE O=C(c1cc(Br)ccc1I)N1[C@H]2CC[C@@H]1C[C@H]2CCl 2330469012 VTXXXULPAHFIJO-PLMOITTCSA-N 454.533 4.286 50 10 JIGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2COCCO2)c1Br 2339650449 GGNJJOSKMPIAHU-GXSJLCMTSA-N 458.972 4.380 50 10 JIGE CC(C)c1ccccc1OCC(=O)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 13980801 UPMJCHHGJNIHCN-UHFFFAOYSA-N 452.338 4.062 50 10 JIGE CC[C@@H](Oc1ccccc1C)C(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 13995471 VUVLLSWNUIUILG-GOSISDBHSA-N 477.399 4.439 50 10 JIGE CCN(CC)c1ccc(/C=N/NC(=O)CCC(=O)Nc2ccc(I)cc2)cc1 27498107 FAMUOOUFRUYONH-HZHRSRAPSA-N 492.361 4.006 50 10 JIGE COc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cc4ccccc4oc3=O)ccc21 40530307 GHERWDUIOXKTQS-XMMPIXPASA-N 466.449 4.239 50 10 JIGE O=C(NNc1ncnc(Oc2ccc(Br)c3cccnc23)c1[N+](=O)[O-])c1ccccc1 40657298 OEOIXXRMHQKPNZ-UHFFFAOYSA-N 481.266 4.245 50 10 JIGE COc1cc([N+](=O)[O-])ccc1-n1nc(C)c(/C=N/NC(=O)Cc2cccc3ccccc23)c1C 59166437 UQPDIADFYFUESK-CVKSISIWSA-N 457.490 4.252 50 10 JIGE Cc1occc1C(=O)/C(C#N)=C\N=[S@@](C)(=O)c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 104776298 RWLXQOBGFUFBBK-KUGHUYIRSA-N 452.448 4.431 50 10 JIGE CCCCOc1ccc(C(=O)NCC(=O)NN=Cc2ccc(OC(=O)/C=C/c3ccccc3)cc2)cc1 254616946 XPLSSXDMCWJDHK-IDKZQZSBSA-N 499.567 4.364 50 10 JIGE C[C@@H]1CCN(S(=O)(=O)c2ccc(CCl)cc2Br)CCN1Cc1ccccc1 382648251 QXSBVOOREUUKAG-MRXNPFEDSA-N 471.848 4.473 50 10 JIGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 920847331 CVSVSJZXYBGLEO-GDNBJRDFSA-N 484.343 4.287 50 10 JIGE O=C(NN=C1C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc21)c1ccc(Br)cc1 1084040227 VKPQOKULWAENCD-UHFFFAOYSA-N 479.290 4.038 50 10 JIGE COc1cc(C=NNC(=O)COc2c(C)cc(Br)cc2C)cc(Br)c1O 1772753312 PRPNGJJZVNKUST-UHFFFAOYSA-N 486.160 4.072 50 10 JIGE O=C(NNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(-c2ccc3ccccc3c2)s1 1860405301 HDGPXGUPWMUMMG-UHFFFAOYSA-N 453.501 4.100 50 10 JIGE CC[C@H](NC(=O)CCN(Cc1cccnc1)C(=O)OC(C)(C)C)C(=O)Nc1ccc(SC#N)cc1 1867086522 YTBHZCOMYMNRBO-NRFANRHFSA-N 497.621 4.315 50 10 JIGE O=S1(=O)CCC[C@@H]1[C@@H](Br)c1sc(Cl)cc1I 1900962702 IJQQODIWMDSKLY-HTRCEHHLSA-N 455.564 4.019 50 10 JIGE CC[C@@H]1CCOC[C@H]1O[C@](C)(CI)CN(CC)C(=O)OC(C)(C)C 1947169673 QPFMERHZCFWLQZ-IIDMSEBBSA-N 455.377 4.269 50 10 JIGE O=C(CCl)c1ccc(I)c(I)c1Br 2059979907 HFUNJMYCKBJVJS-UHFFFAOYSA-N 485.284 4.080 50 10 JIGE C[C@@]1(CCBr)CCN1C(=O)c1cc(Br)ccc1I 2084699868 LHORVCQGTGIQTB-CYBMUJFWSA-N 486.973 4.443 50 10 JIGE O=C(c1cccc(Br)c1Br)N1C[C@H]2[C@H](Br)CC[C@H]2C1 2092335857 RKCFWXXSFJJUOK-JMJZKYOTSA-N 451.984 4.457 50 10 JIGE Cc1cc(S(=O)(=O)N2CCC[C@@H](N(C)Cc3ccccc3)C2)sc1CBr 2123233483 FEBTVSUVDGSINT-QGZVFWFLSA-N 457.459 4.237 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CC[C@@H](Br)[C@@H]1C1CC1 2130611637 MSDKERMCJBKCBM-YPMHNXCESA-N 498.984 4.442 50 10 JIGE CN([C@@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(CBr)ccc1F 2179788380 BRLLMHQHGXDHBY-GOSISDBHSA-N 455.393 4.006 50 10 JIGE C[C@@H](Br)C[C@@H]1COCCN1C(=O)c1c(Br)cccc1Br 2185307162 AWSUXGNGABOKMG-NXEZZACHSA-N 469.999 4.226 50 10 JIGE O=S(=O)(c1cc(CBr)cc(F)c1F)N1CCC[C@@H](OCc2ccccc2)C1 2186382585 VVLLWCLXWZJYCY-MRXNPFEDSA-N 460.340 4.230 50 10 JIGE Cc1ccc(C(=O)NCCCCCCI)cc1I 2217859171 LTPVPKXDPROHBO-UHFFFAOYSA-N 471.120 4.325 50 10 JIGE O=C(c1cc(Br)sc1Br)N1C[C@@H]2CC[C@@H](CBr)O[C@@H]2C1 2289185135 DZPHUWMXLBCSJL-OYNCUSHFSA-N 488.039 4.288 50 10 JIGE N#CC(=Cc1cc(Br)cc(I)c1O)C(=O)NC1CCCCC1 2294745983 COKCKJVRAXHFOA-UHFFFAOYSA-N 475.124 4.115 50 10 JIGE COc1cc(C=C(C#N)C(N)=O)ccc1OC(=O)C=Cc1ccc(OCc2ccccc2)cc1 2314739212 WREFRMILMCMRDM-UHFFFAOYSA-N 454.482 4.285 50 10 JIGE COc1ccccc1-c1ccc(C(=O)NN=Cc2cc(Br)c(O)c(OC)c2)c(C)n1 2321250929 YUBUOERXOCSVME-UHFFFAOYSA-N 470.323 4.306 50 10 JIGE COc1cc(Br)cc(C=NNC(=O)CCCCCNC(=O)OC(C)(C)C)c1OC 2328835248 SWYHYAHTXXTRJT-UHFFFAOYSA-N 472.380 4.002 50 10 JIGE Cn1nc(Br)c(Br)c1[C@@H](Br)c1ccc2nc(O)oc2c1 2364036272 HTQVGUXNAYZLMP-QMMMGPOBSA-N 465.927 4.276 50 10 JIGE Clc1ccc(CN2C[C@@H](CBr)OC3(CCC3)C2)c(I)c1 2366700372 WYQZOOQFDWODLI-CYBMUJFWSA-N 470.576 4.463 50 10 JIGE O=C(COc1c(Cl)cc(Cl)cc1Br)NNC(=O)c1ccccc1Br 9779837 HBUFNXJDPQWZDX-UHFFFAOYSA-N 496.970 4.358 50 10 JIGE CC[C@@H](Oc1ccccc1[C@H](C)CC)C(=O)NNC(=O)c1ccccc1I 10682132 BIQRUZRWORFSHI-RDTXWAMCSA-N 480.346 4.423 50 10 JIGE CCCCCCOc1ccc(C(=O)NNC(=O)c2ccccc2I)cc1 14025382 XOPZERYMCZNOFN-UHFFFAOYSA-N 466.319 4.325 50 10 JIGE CC(C)c1ccc(OCC(=O)NNC(=O)/C=C/c2ccc(Cl)cc2)c(Br)c1 14833680 LAYJIQHOIOVSQD-BJMVGYQFSA-N 451.748 4.466 50 10 JIGE CCOc1cc(/C=N/NC(=O)C(=O)NC2CCCCC2)ccc1OCc1ccc(Cl)cc1 20073617 BPMQEKAZWGXDBP-CVKSISIWSA-N 457.958 4.217 50 10 JIGE CCc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)NCc2ccccc2)cc1 33652415 VFFUGBVQZOUMSI-PGMHBOJBSA-N 450.498 4.273 50 10 JIGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4)ccc32)c1 38659807 MOXOZRWGUOCZTG-AREMUKBSSA-N 472.497 4.215 50 10 JIGE COc1ccc2nc(Nc3ncnc(NNC(=O)c4ccccc4Cl)c3[N+](=O)[O-])sc2c1 40657596 CWFNMQMITCTYMP-UHFFFAOYSA-N 471.886 4.157 50 10 JIGE Nc1c(NNC(=O)COc2ccc(Cl)cc2Cl)ncnc1Nc1nc2ccccc2s1 40761109 MUXXOWBHDMWQOK-UHFFFAOYSA-N 476.349 4.241 50 10 JIGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1cncc(Br)c1 40929006 GVGKBYUGKNVMIF-LZYBPNLTSA-N 496.317 4.278 50 10 JIGE O=C(CCl)c1c(I)cc(Br)cc1I 575686237 KDHTWRPGOAYTMD-UHFFFAOYSA-N 485.284 4.080 50 10 JIGE CCOC(=O)O[C@]1(C(=O)OCCl)CC[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@@]21C 725240264 UJMSHOQZQCLVEP-RDSLTJNQSA-N 464.942 4.125 50 10 JIGE C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)NNC(=O)CCC(C)C)ccc1Cl 727349418 ISVPCYVMLBFXMX-UHFFFAOYSA-N 481.977 4.058 50 10 JIGE COc1cc(C=NNC(=O)c2ccccc2F)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 1083911857 CSAWGIASSBZJSB-UHFFFAOYSA-N 454.370 4.207 50 10 JIGE Nn1c(SCCCC(=O)NN=Cc2cccc(Cl)c2)nnc1-c1ccccc1Br 1083964286 AOGNSYMZUJZZMT-UHFFFAOYSA-N 493.818 4.097 50 10 JIGE COc1cc(C=NNC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)cc(Br)c1O 1084560089 SEBDPEGTJYHNPG-UHFFFAOYSA-N 482.334 4.488 50 10 JIGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)NNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1865759824 UGBFNCAKERIGTN-UHFFFAOYSA-N 490.259 4.255 50 10 JIGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@H]2C(=O)NCc2ccccc2)n1 1868253586 MMPQYYPDVJSFAI-QFIPXVFZSA-N 488.617 4.267 50 10 JIGE C[C@H](Br)[C@@H]1CCCN1S(=O)(=O)c1cc(Br)ccc1Br 1879181225 GUZWRFGUDYUWPC-KWQFWETISA-N 476.028 4.148 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1C[C@@H]2CC[C@]2(CBr)C1 1903982869 HFHSCYSXEDEHMB-HZMBPMFUSA-N 454.533 4.192 50 10 JIGE C[C@@H](CBr)N(Cc1ccccc1)S(=O)(=O)[C@H]1C[C@H](OCc2ccccc2)C1 1954526975 PDDAKBORUKMVHV-YYWHXJBOSA-N 452.414 4.350 50 10 JIGE C[C@H]1CCCN(c2ncc(I)cc2Br)[C@H]1CBr 2015763560 ZTCVLWRUIVQEOW-KWQFWETISA-N 473.978 4.449 50 10 JIGE C[C@@H](CBr)[C@@H](C)NC(=O)c1ccc(Br)cc1I 2026219555 XDZBOKBRFDOOKC-JGVFFNPUSA-N 474.962 4.203 50 10 JIGE O=C(CBr)c1c(Cl)cc(I)cc1I 2060100196 IVTJSBLCADWBAB-UHFFFAOYSA-N 485.284 4.127 50 10 JIGE O=C(CBr)c1cc(I)c(OC(F)F)c(OC(F)(F)F)c1 2060376086 UENZIMPHOLUWHS-UHFFFAOYSA-N 474.945 4.369 50 10 JIGE CC1(C)[C@@H](Br)CCN1C(=O)c1ccc(Br)cc1I 2086147126 JRHMZKOEEHRIRX-NSHDSACASA-N 486.973 4.442 50 10 JIGE Cn1cc(Br)c(CC(CBr)(CBr)c2ccccc2)n1 2087333287 SEGLELCSRCZHNK-UHFFFAOYSA-N 451.000 4.453 50 10 JIGE CC1(C)C[C@H](Br)CN1S(=O)(=O)c1cc(Br)ccc1Br 2098598161 BXLCKNUIBQHTTL-VIFPVBQESA-N 476.028 4.148 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1CCC(F)(CBr)CC1 2101311249 GVSLWOMHCMABEB-UHFFFAOYSA-N 460.512 4.284 50 10 JIGE C[C@H](Br)C[C@H]1COCCN1C(=O)c1scc(Br)c1Br 2128864942 NDKSQBUZLRBTBO-YUMQZZPRSA-N 476.028 4.288 50 10 JIGE Brc1cccc(CN2CCO[C@@H]3C[C@H](Br)C[C@H]32)c1Br 2128883849 LDIQIAKDWGJNPU-RAIGVLPGSA-N 454.000 4.338 50 10 JIGE O=C(Cc1ccccc1I)NCC1(CBr)CCCCC1 2143869349 YBCNNUMDOKFIHW-UHFFFAOYSA-N 450.158 4.295 50 10 JIGE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)[C@H](Br)C2CCCC2)CC[C@H]1C(F)(F)F 2167032694 KKLYMNUSBYTWAG-MGPQQGTHSA-N 457.331 4.244 50 10 JIGE Cc1ccc(S(=O)(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)cc1CBr 2179785822 QZNZTHHLFUOUBB-GOSISDBHSA-N 451.430 4.175 50 10 JIGE O=S(=O)(C1CCC(CBr)CC1)N1[C@H]2CCC[C@H]1CN(Cc1ccccc1)C2 2182303951 NKLMBAWEGNELSP-WWFYLNGCSA-N 455.462 4.009 50 10 JIGE CC1(C)CCN(Cc2ccccc2)CCN1S(=O)(=O)c1ccsc1CBr 2231335934 WZYKNULUPGFBNC-UHFFFAOYSA-N 457.459 4.318 50 10 JIGE Cc1ccccc1C(CBr)(CBr)Cc1nn(C)nc1Br 2235293272 KXARSYZEWYNWCH-UHFFFAOYSA-N 466.015 4.156 50 10 JIGE CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@@H](Br)C2CCCC2)[C@@H](C(F)(F)F)C1 2281010795 ZFTNIUJKOGIFTA-MCIONIFRSA-N 457.331 4.387 50 10 JIGE CCCCCCn1c(O)c(C(=O)NN=Cc2ccc(O)c(OCC)c2)c(=O)c2ccccc21 2297748060 ISGHSWQULWRKGA-UHFFFAOYSA-N 451.523 4.156 50 10 JIGE O=C(c1scc(Br)c1Br)N1C[C@H]2C[C@H](CBr)[C@H]2C1 2309713296 XOMVYGPMARGLGT-BWZBUEFSSA-N 458.013 4.376 50 10 JIGE Cc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccc([N+](=O)[O-])cc1 2313545751 CJZGXFTZFRDWMY-UHFFFAOYSA-N 455.518 4.258 50 10 JIGE COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c1C 2313568787 YQGVWHUETDTLGB-UHFFFAOYSA-N 485.544 4.267 50 10 JIGE CC[C@@H](C)N1C(=O)c2ccc(C(=O)Nc3sc(C(C)=CC#N)c(C)c3C(=O)OC)cc2C1=O 2331557625 SYVOUSQIHCZKGV-CYBMUJFWSA-N 465.531 4.417 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1C[C@H](Br)CCC12CC2 2340059425 VGCSDNGUMUSIPV-SECBINFHSA-N 454.533 4.477 50 10 JIGE Clc1ccc(CN2C[C@H](CBr)OC3(CCC3)C2)cc1I 2362381818 YWVOEZBQKAGXHW-LBPRGKRZSA-N 470.576 4.463 50 10 JIGE COc1cccc([C@H](C(=O)NC2CCCCC2)N(C[C@H]2COc3ccccc3O2)C(=O)CCl)c1 3039814 AQVUANODLSKNRH-SQJMNOBHSA-N 486.996 4.093 50 10 JIGE O=C(NNc1ncnc(Nc2cccc3cccnc23)c1[N+](=O)[O-])c1ccccc1Br 40626336 BIHVNPWCSOADIO-UHFFFAOYSA-N 480.282 4.196 50 10 JIGE COC(=O)c1ccc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(OC)cc2)CCC3)cc1 40813816 HWAMXAOAQYXKEA-NHFJDJAPSA-N 476.485 4.073 50 10 JIGE Cc1nn(Cc2ccccc2Cl)c(C)c1/C=N/NC(=O)CSCC(=O)Nc1ccccc1 59146921 YDVPXHSDURGZFD-BRJLIKDPSA-N 469.998 4.024 50 10 JIGE CCCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)c2ccccc2I)cc1 98027820 NHLNVOJTYWSFLF-SSZFMOIBSA-N 474.298 4.334 50 10 JIGE CC(=NNC(=O)c1nn(C)c(C)c1Br)c1ccc(NC(=O)c2ccccc2F)cc1 252613745 JDPDYEUXTXJCII-UHFFFAOYSA-N 472.318 4.036 50 10 JIGE COc1cc(C=NNC(=O)CCC(=O)N(c2ccccc2)c2ccccc2)cc(OC)c1OC 254303149 GGHNZAHUIFEIIM-UHFFFAOYSA-N 461.518 4.308 50 10 JIGE COc1cc(C=NNC(=O)CSc2nnc(SCc3ccc(C)cc3)s2)cc(OC)c1O 254607446 JBITWJJBNIYYDZ-UHFFFAOYSA-N 490.632 4.104 50 10 JIGE COc1cc(C(C)=NNC(=O)CSc2nnc(SCc3ccc(C)cc3)s2)ccc1O 254858620 SVJHMMDPDXJNAU-UHFFFAOYSA-N 474.633 4.486 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2CCC[C@@H](Br)CC2)cc1Br 378678149 RSPPEIOZARZCMA-SNVBAGLBSA-N 490.055 4.458 50 10 JIGE C[C@]1(CBr)CCN(S(=O)(=O)c2cc(Br)ccc2Br)C1 381554076 GMILAEBRLQMCRD-GFCCVEGCSA-N 476.028 4.007 50 10 JIGE CC1(CBr)CCN(S(=O)(=O)c2cc(Cl)c(Br)s2)CC1 402919125 ZBWLUGJHPBVENQ-UHFFFAOYSA-N 451.633 4.350 50 10 JIGE O=C(NC[C@@H]1CCC[C@@H](CBr)C1)c1cccc(F)c1I 721672648 OJWDKSRODOBMRM-GHMZBOCLSA-N 454.121 4.361 50 10 JIGE CCOc1ccc(CNC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)cc1OC 915200476 BQZOLMSMGNQQRM-RCCKNPSSSA-N 455.518 4.094 50 10 JIGE CC1=C(C(=O)NN=Cc2cccc(Cl)c2)[C@H](c2ccc(Br)cc2)NC(=S)N1 1084594468 ZBPBGJUXFGIJAI-KRWDZBQOSA-N 463.788 4.046 50 10 JIGE COc1ccc(Br)cc1C=NNC(=O)C(=O)Nc1ccc(OCc2ccccc2)cc1 1084625711 YUYXADAIPYCSNU-UHFFFAOYSA-N 482.334 4.126 50 10 JIGE CC(=O)N(c1ccc(NC(=O)NNC(=O)COc2ccccc2-c2ccccc2)cc1)C1CC1 1562889670 DCZPXTWZLMOZMS-UHFFFAOYSA-N 458.518 4.101 50 10 JIGE COc1ccc([N+](=O)[O-])c([C@@H]2CN(Cc3ccccc3)C[C@@H]2CI)c1 1614637449 HPJJYBFPLOVUAL-MAUKXSAKSA-N 452.292 4.254 50 10 JIGE C#Cc1cccc(NC(=S)NNC(=O)c2cn(-c3ccc(C)cc3)nc2-c2ccccc2)c1 1651317819 SXZFLPHYGYYXFP-UHFFFAOYSA-N 451.555 4.460 50 10 JIGE Cc1c(C(=O)Nc2ccccc2)oc2c1C(=NNC(=O)c1cncc(Br)c1)CCC2 1772748048 VASDWDLEVOHJPY-UHFFFAOYSA-N 467.323 4.468 50 10 JIGE CCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1cc(Br)cc(OC)c1O)C(C#N)=C(N)O2 1865695361 BXODYBAOMKYTAY-FQEVSTJZSA-N 495.377 4.497 50 10 JIGE CC1(CBr)CN(Cc2ccc(I)c(Br)c2)C1 1904343967 OKWZCERQDFQLEQ-UHFFFAOYSA-N 458.963 4.271 50 10 JIGE O=C(N[C@H]1CCC[C@@H](Br)C1)c1ccc(Br)cc1I 2086152313 ZRTFZODEEYLYQV-SCZZXKLOSA-N 486.973 4.490 50 10 JIGE O=S(=O)(C[C@@H](Br)c1c(Br)cccc1Br)N1CCCC1 2094097060 CUQCRTFHOHQPQL-LLVKDONJSA-N 476.028 4.073 50 10 JIGE CN(Cc1cnn(C)c1Br)c1ccc(Br)cc1CBr 2116625296 XPMKMCVATNEAEX-UHFFFAOYSA-N 451.988 4.476 50 10 JIGE CN([C@H]1CC[C@@H]1OCc1ccccc1)S(=O)(=O)c1ccc(CCCBr)cc1 2179858909 VSXDLJDQVHMSDR-SFTDATJTSA-N 452.414 4.382 50 10 JIGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1CCC=C[C@@H]1CBr 2182346089 DYKPRRJLPMTVHR-SECBINFHSA-N 464.006 4.470 50 10 JIGE O=C(c1ccc(Br)cc1C(F)(F)F)N1C[C@@H](Br)[C@H](Br)C1 2196128867 BCVRDRJCWONBLO-NXEZZACHSA-N 479.916 4.451 50 10 JIGE CCN1CCC[C@@H]([C@@H](Br)c2ccc(Cl)c(I)c2)S1(=O)=O 2283565350 CGMIFEOTXLHIKO-STQMWFEESA-N 492.604 4.195 50 10 JIGE COc1ccc([C@@H](Br)[C@@H]2C[C@H](OC)[C@H](OC)C2)cc1I 2285007060 YTCRPMXPOWSJJD-AQNFWKISSA-N 455.130 4.176 50 10 JIGE Cc1ccc(C)c2c1NC(=O)C2=NNC(=O)C(=CC=Cc1ccccc1)NC(=O)c1ccccc1 2297220892 LYNFSQAJXRVZSL-UHFFFAOYSA-N 464.525 4.103 50 10 JIGE CCOc1cc(C=C(C#N)C(=O)N(C)C)cc(I)c1OCc1ccc(F)cc1 2313567787 KUKAVXMNZGZZPY-UHFFFAOYSA-N 494.304 4.403 50 10 JIGE CC(C)Oc1c(Br)cc(C=NNC(=O)c2cccc(N)c2)cc1Br 2318415594 RJMYMJILXMAKTQ-UHFFFAOYSA-N 455.150 4.345 50 10 JIGE CCOc1ccc(CCNC=C(C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1OCC 2318462799 PTCCZZGGWWQPQO-UHFFFAOYSA-N 458.902 4.224 50 10 JIGE COC(=O)c1ccccc1N1C[C@H](C(O)=C(C#N)c2nc(-c3cccc(OC)c3)cs2)CC1=O 2331246755 SSOFMBYEIWXVKN-MRXNPFEDSA-N 475.526 4.451 50 10 JIGE Clc1ccc(CN2CCO[C@@H]3C[C@H](CBr)C[C@H]32)c(I)c1 2366714468 IYBZVKAANPMKIK-VCTAVGKDSA-N 470.576 4.319 50 10 JIGE O=C(/C=C/c1ccc(Cl)cc1)NNC(=O)COc1ccc(Br)cc1Br 14833660 YLTKSZGZTHDCRS-FPYGCLRLSA-N 488.563 4.105 50 10 JIGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4OC)ccc32)c1 38684532 XQLABAZQLDNSFO-MHZLTWQESA-N 484.508 4.463 50 10 JIGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)cc1 38687491 JYBLKYXOEJZWJR-IZZNHLLZSA-N 484.508 4.439 50 10 JIGE Cc1cccc2sc(Nc3ncnc(NNC(=O)c4ccc(Br)cc4)c3N)nc12 40783472 SUDLOAVALLBJOV-UHFFFAOYSA-N 470.356 4.240 50 10 JIGE CCOc1cc(/C=N/NC(=O)COc2ccc(C)cc2Br)cc(Br)c1O 40911869 MLYSZFADBTVNRE-ZVBGSRNCSA-N 486.160 4.153 50 10 JIGE CCCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)nc(C)n2)cc1 40948958 NUHWLVCOCDRQMV-HMMYKYKNSA-N 491.573 4.229 50 10 JIGE Nc1nnc(SCC(=O)NN=Cc2ccc(OCc3c(Cl)cccc3Cl)cc2)s1 256028616 YFDAWILHBNJCTE-UHFFFAOYSA-N 468.391 4.249 50 10 JIGE N#CCCn1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)c(-c2ccccc2)n1 742484307 DQENLXABZHUAOT-MSIOFZDNSA-N 478.600 4.399 50 10 JIGE COc1ccccc1[C@@H](NC(=O)NNC(=O)c1ccc(Br)cc1)c1ccccc1 1318397159 WNDHMIOTWXULKY-FQEVSTJZSA-N 454.324 4.191 50 10 JIGE Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc3c(c1)OCCO3)C(C#N)=C(N)O2 1865697741 AOGQDOTZHRHWFU-OAQYLSRUSA-N 452.873 4.022 50 10 JIGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)c(Cl)c2)cc(OC)c1O 1865714158 FFOMLBQITSNPMC-IBGZPJMESA-N 473.316 4.429 50 10 JIGE N#CSc1ccc(NC(=O)[C@@H](CO)NC(=O)c2ccc(-c3cc4ccccc4[nH]3)cc2)cc1 1867062475 DUVYQPXSUHKKQN-HSZRJFAPSA-N 456.527 4.137 50 10 JIGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)cc1 1872747433 CMMYJJPDJHNFHJ-MNDPQUGUSA-N 476.470 4.206 50 10 JIGE CC(C)(C)OC(=O)N[C@H](CBr)[C@H]1C[C@H]2CC[C@@H]([C@H]1F)N2C(=O)OC(C)(C)C 1883028262 HRXZEXCUHWYKBI-ZSAUSMIDSA-N 451.377 4.401 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1c(F)cccc1Br 2061267436 CZYDQNOLVJYQAQ-UHFFFAOYSA-N 453.399 4.224 50 10 JIGE CN(CC(F)(F)CBr)c1ncc(C(F)(F)F)cc1I 2094611417 NKRWSIRSDQPMDU-UHFFFAOYSA-N 458.994 4.171 50 10 JIGE O=C(N[C@H]1C[C@H]2C[C@H]1C[C@@H]2Br)c1cc(Br)ccc1I 2104412776 XRLLHQOWKWYAOJ-YXPMNYRZSA-N 498.984 4.346 50 10 JIGE C[C@H]1CN(Cc2ccccc2)C[C@H](C)N(S(=O)(=O)c2ccc(CBr)s2)C1 2123241177 FRYDAZMYBTYWJW-HOTGVXAUSA-N 457.459 4.174 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@H]([S@@](C)(=O)=NC(=O)c2ccc(CBr)cc2)C1 2162872930 PAEKAGPXEMBNHP-RKOGDMNLSA-N 459.406 4.219 50 10 JIGE CCN([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(CBr)cc1C 2179774766 HLKTUDSBHYYWDA-FQEVSTJZSA-N 451.430 4.175 50 10 JIGE O=C(c1cc(I)ccc1Br)N1[C@H]2CC[C@H]1[C@@H](F)[C@H](Cl)C2 2190671992 XRWVFMFGRBJKHB-MHNYQROPSA-N 472.523 4.376 50 10 JIGE CC(C)(C)OC(=O)N[C@H](Cc1cccc(Br)c1)C(=O)NCC1CC(Br)C1 2229118524 NOINKRBDRQAPAX-AVVWSFFYSA-N 490.236 4.175 50 10 JIGE CC(=NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1ccc(-n2cccc2)cc1 2297635198 CFMLNDVRVMDXRG-UHFFFAOYSA-N 464.572 4.494 50 10 JIGE CC(NNC(=O)c1ccccc1)=C1C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 2313683139 SJAXDYSKBYSLLO-UHFFFAOYSA-N 453.527 4.256 50 10 JIGE CCCOc1ccc(C=C2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1OCC 2314616782 JQXAMYMNKXYDKF-UHFFFAOYSA-N 474.513 4.395 50 10 JIGE CCCNC(=O)c1cc2ccc(OC(=O)C(C#N)=Cc3ccc(OCCC)cc3)cc2oc1=O 2314751250 ZEIKDRJFZLNUQL-UHFFFAOYSA-N 460.486 4.234 50 10 JIGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)CCCOc2ccc(C(C)(C)C)cc2)cc1 2314785881 WFZODNZNKLNCEQ-UHFFFAOYSA-N 464.562 4.418 50 10 JIGE COc1ccccc1C(C#N)=Cc1ccc(OC(=O)CCN2C(=O)c3ccccc3C2=O)cc1 2320507237 HNFGOXPJRBUTSW-UHFFFAOYSA-N 452.466 4.351 50 10 JIGE O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)NN=Cc1cccc(OCc2ccccc2)c1 2325903565 RUFQSFLGHYOUMQ-UHFFFAOYSA-N 472.570 4.066 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1C[C@H]2CC[C@H]1[C@@H](Br)C2 2349960616 PEVZDHUOOSHQPF-FWDPORAESA-N 454.533 4.333 50 10 JIGE COc1cc(Br)c(C(=O)N[C@@H](CCCl)COCc2ccccc2)cc1OC 2369688266 XASMFEAAYKOQIQ-HNNXBMFYSA-N 456.764 4.410 50 10 JIGE COc1cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C)cc2)cc(OC)c1OC 38649208 OZPZRJMFSQJLHH-XMMPIXPASA-N 472.497 4.458 50 10 JIGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)cc1 38688573 ZQZQCBJGTPOFTA-CLJLJLNGSA-N 482.492 4.215 50 10 JIGE COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(Cl)cc1C 40879551 OETQFBDGFYZVDR-WOJGMQOQSA-N 480.904 4.458 50 10 JIGE C=CCc1cccc(/C=N/NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)c1O 58988474 PZEACHARLIWBHL-JVWAILMASA-N 470.558 4.006 50 10 JIGE CC(C)Cc1ccc([C@H](C)C(=O)N/N=C2/C(=O)N(CCN3CCCCC3)c3ccccc32)cc1 59148622 VGBVTXZKJVLDBL-RLVVXTNZSA-N 460.622 4.342 50 10 JIGE Cc1ccc2sc(NC(=O)c3ccc(S(=O)(=O)N(CCCl)CCCl)cc3)nc2c1 100500248 ABPFDESVOQIFPJ-UHFFFAOYSA-N 472.419 4.325 50 10 JIGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C/c1ccc(-c2ccc(Br)cc2)o1 101337220 LXKZOULCTYGXQJ-PYJSORCASA-N 467.319 4.480 50 10 JIGE C=C[C@@H]1OC(C)(C)O[C@@H]1[C@@](O)(C=C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 197360633 MRMXJVYBAQQFMN-NLJOTIRTSA-N 452.667 4.186 50 10 JIGE O=C(COc1ccc([N+](=O)[O-])cc1)NN=Cc1c(OC(=O)c2ccccc2)ccc2ccccc12 254484103 XISWYUWBBXEMMD-UHFFFAOYSA-N 469.453 4.496 50 10 JIGE COc1ccc(C=NNC(=O)c2ccncc2)cc1COc1ccc(C(=O)OCC(C)C)cc1 254484220 DAFSRLGUOSCILR-UHFFFAOYSA-N 461.518 4.246 50 10 JIGE Cc1cccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)c1N 382713163 ILYPXQOEUAPGOT-SJLPKXTDSA-N 450.320 4.364 50 10 JIGE CC(C)Cc1ccc([C@H](C)C(=O)NN=C2C(=O)N(CCN3CCCCC3)c3ccccc32)cc1 1084012344 VGBVTXZKJVLDBL-NRFANRHFSA-N 460.622 4.342 50 10 JIGE CCOc1ccc(C=NNC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccc(Cl)cc2Cl)cc1 1084158587 SMGXWAGICYAXEK-LJQANCHMSA-N 463.390 4.335 50 10 JIGE C#Cc1cccc(NC(=S)NNC(=O)c2c(C)nn(Cc3ccccc3Cl)c2Cl)c1 1176933532 PCBNNYLXDOATFY-UHFFFAOYSA-N 458.374 4.159 50 10 JIGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccn2)c(OC)c1 1865708601 YUQFXKZMUYMBBG-QFIPXVFZSA-N 451.486 4.170 50 10 JIGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865714827 RBFIZPCDZAKWRG-LJQANCHMSA-N 451.870 4.310 50 10 JIGE CCN(CC)C(=O)COc1ccc(/C=N\NC(=O)c2ccc(-c3ccc(F)c(F)c3)nc2C)cc1 1865762102 NLXKWSFMPFKJLW-FDVSRXAVSA-N 480.515 4.346 50 10 JIGE COc1ccc(/C=C(\C#N)C(=O)N[C@@H]2CCCc3c2c(C)nn3Cc2ccccc2)cc1OC 1866130238 IYJCSYYBDIJTCN-QJUACMODSA-N 456.546 4.358 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1C[C@H]2CC[C@]2(CBr)C1 1903985279 WFTKWWOZKSROOV-OTYXRUKQSA-N 454.533 4.192 50 10 JIGE O=C(N[C@H]1C[C@@H]([C@H](F)CBr)C1)c1cccc(Br)c1Br 1906537963 MSRWFTVHJKJBAW-VHSKPIJISA-N 457.963 4.453 50 10 JIGE C[C@H](c1ccncc1Br)[C@H](Br)c1cnn(C)c1I 1924048072 RQBCZXOSIGNQFA-HQJQHLMTSA-N 484.961 4.422 50 10 JIGE Cc1c(Br)sc([C@H](Br)C2[C@@H]3CS(=O)(=O)C[C@@H]23)c1Br 2054218153 MRQCSTHJTDMVHH-HCVRKRLWSA-N 479.053 4.308 50 10 JIGE COc1ncc(C)c(-n2nc(CBr)c(I)c2C(F)(F)F)c1C 2078926042 CFRUGXNNJCMZPL-UHFFFAOYSA-N 490.061 4.411 50 10 JIGE Fc1nccc(-n2nc(CBr)c(I)c2C(F)(F)F)c1F 2078930221 SIQGUUVCKRPKDO-UHFFFAOYSA-N 467.961 4.064 50 10 JIGE BrCc1cc(Br)cc(Br)c1OC[C@@H]1C[C@H]2OCC[C@@H]2O1 2163233499 DHIVTDPKTYIYRY-WCFLWFBJSA-N 470.983 4.432 50 10 JIGE CN(Cc1cnn(Cc2ccccc2)c1)S(=O)(=O)c1cc(CBr)ccc1Cl 2179786811 GLTYNMGPOPGFKC-UHFFFAOYSA-N 468.804 4.300 50 10 JIGE CN(C[C@]1(C)CC1(F)F)S(=O)(=O)c1cc(CBr)sc1Br 2179788606 FEBJZXDIPCSBNU-JTQLQIEISA-N 453.168 4.071 50 10 JIGE CCOCc1cc(Br)c([C@@H](Br)c2nn(C)nc2Br)s1 2226973812 DDOISIWWDFVHRB-QMMMGPOBSA-N 474.016 4.422 50 10 JIGE C[P@@]1(=O)C[C@H](NC(=O)Cc2cc(Br)cc(Br)c2)[C@@H](Br)C1 2295312096 SZNUAPMVNQXRHP-PVUDRZGPSA-N 487.954 4.009 50 10 JIGE Cc1ccc(OCC(=O)NN=Cc2ccc(OC(=O)C=Cc3ccco3)cc2)c(Br)c1 2297321200 ZEPOKXXRFAKQJI-UHFFFAOYSA-N 483.318 4.498 50 10 JIGE O=C(N[C@@H](CCCl)COCc1ccccc1)c1cccc(F)c1I 2303699523 AICVDGJYCCRZSN-AWEZNQCLSA-N 461.702 4.374 50 10 JIGE BrC[C@H]1[C@@H]2C[C@H]1N(Cc1ccc(I)c(Br)c1)C2 2306219207 JTIGGIZWTZSELI-GBIKHYSHSA-N 470.974 4.269 50 10 JIGE COc1ccc(C=NNC(=O)c2cccn(Cc3ccc(Cl)cc3)c2=O)cc1OC(C)C 2323648596 WBOOLRJKKNTQMN-UHFFFAOYSA-N 453.926 4.110 50 10 JIGE Cc1ccc(-c2csc3ncn(CC(=O)NN=Cc4ccc(F)c(Br)c4)c(=O)c23)cc1 2325904579 AIUGBBPDOLCVLX-UHFFFAOYSA-N 499.365 4.485 50 10 JIGE C=CCN(CC=C)S(=O)(=O)c1ccc2nc(NC(=O)C(C#N)=Cc3ccc(F)cc3)sc2c1 2329641337 UUEXIBSAUTZLRG-UHFFFAOYSA-N 482.562 4.344 50 10 JIGE COc1ccc(C=C(C#N)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1OC 2329701287 NDKKLLAUIUKEJN-DEOSSOPVSA-N 462.594 4.020 50 10 JIGE Cn1nc(Br)c(Br)c1[C@@H](Br)c1ccc2c(c1)CCO2 2338862592 XRIFPIDAKDTDKJ-JTQLQIEISA-N 450.956 4.364 50 10 JIGE CN(CC1CC(Br)C1)C1(C(=O)O)CCC(C)(NC(=O)OCc2ccccc2)CC1 2346175514 FMMBSVLNQCOJSA-UHFFFAOYSA-N 467.404 4.174 50 10 JIGE ClC[C@H](C[C@@H]1CCOC1)NCc1ccc(I)c(Br)c1 2349860332 XBXDYUDPZUGAQV-RYUDHWBXSA-N 458.565 4.177 50 10 JIGE COc1cc(CBr)cc(Oc2ccc(OC)c(I)c2)n1 2364732651 VIFMFSACDANYER-UHFFFAOYSA-N 450.070 4.391 50 10 JIGE CC(C)(C)OC(=O)N[C@]12CCC(F)(F)C[C@H]1CN(C[C@@]1(CBr)CC1(F)F)C2 2379984246 LLQWQALSLQTTEX-RCBQFDQVSA-N 459.322 4.421 50 10 JIGE COc1ccc(OC)c([C@H]2C(C#N)=C3N=C(N)c4ccccc4N3C3=C2C(=O)CC(C)(C)C3)c1 3654509 ORQYSOSVBOCPJG-QHCPKHFHSA-N 454.530 4.405 50 10 JIGE Cc1ccc(-n2ncc3c(-n4nc(C)cc4NC(=O)CCCBr)ncnc32)c(C)c1 13962795 GQSWXRKIOFUULQ-UHFFFAOYSA-N 468.359 4.040 50 10 JIGE N#C/C(=C/c1cc(Cl)ccc1OCc1c(F)cccc1Cl)c1nn(CCO)c(N)c1C#N 29492363 LPQNXPHNECHBSN-ZSOIEALJSA-N 472.307 4.418 50 10 JIGE Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2c(C)nn(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2C)c1 59165113 XSOUTHOYKBZQBK-BRJLIKDPSA-N 494.508 4.266 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1CCC[C@@H](CCBr)C1 147720823 KYXXKDNKTHDDPG-JTQLQIEISA-N 490.055 4.397 50 10 JIGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(OC)cc4)ccc32)cc1 205656168 SJWIHMJYFCJFKS-YYOFQBFWSA-N 482.492 4.319 50 10 JIGE Cc1cc(C=NNC(=O)c2c(Br)cnn2C)c(C)n1-c1cccc(Br)c1 252622683 OAKOHUOAAHTJBO-UHFFFAOYSA-N 479.176 4.117 50 10 JIGE N#CCOc1ccc(C=NNC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 263631084 XVGBPXWBAKQFPI-SANMLTNESA-N 470.554 4.127 50 10 JIGE CCCCCCn1c(O)c(C(=O)NN=Cc2cc(OC)c(OC)cc2OC)c(=O)c2ccccc21 263632493 JGDMZKILLDFAIN-UHFFFAOYSA-N 481.549 4.077 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2C[C@H](Br)C(C)(C)C2)cc1Br 387805054 QROXJKYWZMUNOL-LBPRGKRZSA-N 490.055 4.314 50 10 JIGE FC(F)(F)Oc1c(CBr)ncc(I)c1Br 396154533 JFIXLHHUNXVYFX-UHFFFAOYSA-N 460.813 4.242 50 10 JIGE Br[C@H]1C[C@]23C[C@H](Br)[C@H](Br)C[C@]2(C[C@@H]1Br)O3 396162711 QUGBRDPBXHAGDV-IIZWTSTJSA-N 467.821 4.136 50 10 JIGE O=C(CBr)c1c(Br)ccc(OC(F)F)c1I 575682476 SAMXHIRWJQFGRE-UHFFFAOYSA-N 469.845 4.233 50 10 JIGE O=C(Cl)c1c(I)cc(Br)cc1I 575686247 KMHLEMBIVAEOIC-UHFFFAOYSA-N 471.257 4.037 50 10 JIGE COc1ccccc1[C@H](CNC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1)N1CCCC1 914846912 AGNRHFZXERCNPQ-JNWJWRTLSA-N 494.599 4.333 50 10 JIGE CNC(=O)c1cc(NC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)ccc1Cl 918645531 BNWWDNWJVPMUMA-SFQUDFHCSA-N 458.909 4.022 50 10 JIGE CCOC(=O)COc1c(Cl)cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1Cl 1083885876 AJARDAJZPGQLIP-HXUWFJFHSA-N 497.375 4.298 50 10 JIGE COc1ccc(C(=O)NN=Cc2cc(Br)c(OC)cc2OC)cc1Br 1084289356 PEHWMYQTDWNQBA-UHFFFAOYSA-N 472.133 4.001 50 10 JIGE C=CCC[C@@H](NC(=O)NNC(=O)COc1ccc(OC)cc1)c1ccc(C(F)(F)F)cc1 1679303939 CLIHJMDAPRUCQO-LJQANCHMSA-N 451.445 4.131 50 10 JIGE Cc1ccc(C(=O)NNC(=O)c2oc3c(c2C)C(=NNc2ccc([N+](=O)[O-])cc2)CCC3)cc1 1772747101 IFNUNCBKGXQJIT-UHFFFAOYSA-N 461.478 4.032 50 10 JIGE O=C(CCC(=O)c1cccs1)N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21 1860823232 ZCAVJRUPYVWABR-ROMGYVFFSA-N 451.935 4.432 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2Cl)[C@H]1c1ccc(C(=O)O)cc1 1865709516 WZSMNDPPGDVYNH-HNNXBMFYSA-N 460.799 4.461 50 10 JIGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(O)c([N+](=O)[O-])c2)cc1 1865714523 MILOEBDCOHGUBY-QFIPXVFZSA-N 481.468 4.380 50 10 JIGE Cc1nsc(Br)c1C(=O)N(C)C[C@@H](Br)COCc1ccccc1 1916333819 YKJNNCRSDJIFHV-CYBMUJFWSA-N 462.207 4.266 50 10 JIGE O=S(=O)(CBr)Nc1cc(Br)c(Br)c(Br)c1 1931646923 HEWDICVCOPUGLM-UHFFFAOYSA-N 486.805 4.068 50 10 JIGE C[C@](CBr)(NC(=O)c1cc(Br)c(Br)s1)C(F)F 1998357301 NYWVUFMGGMHMPB-SECBINFHSA-N 455.944 4.422 50 10 JIGE BrC[C@@H]1CCCN(c2ncc(I)cc2Br)CC1 2015758514 IXJSTYGVAZCGQQ-SECBINFHSA-N 473.978 4.450 50 10 JIGE O=C(N[C@H]1C[C@@H](CCBr)C1)c1ccc(I)c(Br)c1 2078359635 BRJBDVIFBVQAHK-WAAGHKOSSA-N 486.973 4.347 50 10 JIGE CN(C(=O)c1ccc(I)c(Br)c1)[C@@H](CCCl)C(F)F 2122003844 WOFDAELFPFDTQC-JTQLQIEISA-N 466.491 4.388 50 10 JIGE Clc1cc(CN2[C@H](CBr)C[C@@H]3OCC[C@H]32)ccc1I 2142944512 SVNAQBMYVJLMSN-GDLCADMTSA-N 456.549 4.071 50 10 JIGE O=S1(=O)C[C@H]2C([C@H](Br)c3scc(C(F)(F)F)c3Br)[C@@H]2C1 2174597402 OZIZMUDLQJWYFB-OJFKHTATSA-N 454.127 4.256 50 10 JIGE C[C@@H]1CN(C(=O)c2c(Br)cccc2Br)C[C@@H](CCBr)O1 2179382573 JSXYILJPAILVDN-NXEZZACHSA-N 469.999 4.226 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N[C@@H](CBr)C1CCC1 2277935233 NSEBVXCOPDXNJX-ZDUSSCGKSA-N 454.000 4.434 50 10 JIGE O=C(c1c(F)cccc1I)N1CC2(CCC2)C[C@@H]1CBr 2282811243 YHIQLAMMMGWRIB-SNVBAGLBSA-N 452.105 4.210 50 10 JIGE C=CC[C@]1(CBr)CCN(C(=O)c2ccc(F)cc2I)C1 2287747670 KXLUJAZBUUYHTA-OAHLLOKOSA-N 452.105 4.234 50 10 JIGE CC(=Cc1ccccc1)C=C(NC(=O)c1ccccc1)C(=O)NN=Cc1cc2c(cc1[N+](=O)[O-])OCO2 2297322540 JWPSLLUUDCBWNN-UHFFFAOYSA-N 498.495 4.191 50 10 JIGE COc1cc(C=C(C#N)C(=O)N(C)C)cc(I)c1OCc1ccccc1F 2313567189 CSLLZLKEWJGEQQ-UHFFFAOYSA-N 480.277 4.013 50 10 JIGE CCOc1ccc(C=CC(=O)NNC(=O)COc2ccc(C(C)C)cc2Br)cc1 2313890301 HDKWCSWSFLBLDY-UHFFFAOYSA-N 461.356 4.211 50 10 JIGE CC(C)(C)OC(=O)NCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccccc2)cc1 2328835201 DZDZDCLLUMODHI-UHFFFAOYSA-N 453.539 4.441 50 10 JIGE N#CC(=Cc1cc(Br)c(O)c(Br)c1O)c1cc2c(cc1[N+](=O)[O-])OCCO2 2331051662 YFDFFEZMOHBMRY-UHFFFAOYSA-N 498.083 4.366 50 10 JIGE O=C(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)NNC(=S)NCc1ccccc1 21198527 JRUTUSQMACZSEI-UHFFFAOYSA-N 476.005 4.431 50 10 JIGE O=C(NNc1ncnc(Nc2ccc(Cl)cc2)c1[N+](=O)[O-])c1ccccc1Br 40649073 LGYRHGCZJOGPAI-UHFFFAOYSA-N 463.679 4.301 50 10 JIGE COc1ccc(C(=O)NNc2ncnc(NC(c3ccccc3)c3ccccc3)c2[N+](=O)[O-])cc1 40650612 XBARZPCZKQQLDR-UHFFFAOYSA-N 470.489 4.352 50 10 JIGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccccc2CCc2ccccc2)c(OC)c1 40884499 QDPNVCRPIYVCED-HKOYGPOVSA-N 484.552 4.369 50 10 JIGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cc(Br)c(OCC)c(OC)c2)cc1 58892706 FRIDKJFNDYZUOC-ANRKENSESA-N 479.371 4.219 50 10 JIGE CCN(CC)Cc1ccc(C(=O)NNC(=O)/C=C/c2c(C)nn(Cc3ccccc3Cl)c2C)o1 109007846 SDXOGIAERVGHPB-WYMLVPIESA-N 484.000 4.111 50 10 JIGE CCCOc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)nc(O)n2)cc1Br 169923216 UHRFYTJMRBQRNK-YDZHTSKRSA-N 455.312 4.164 50 10 JIGE O=C(NCCCCCCI)c1sccc1I 390522187 HDEPMAMNMFJPEA-UHFFFAOYSA-N 463.122 4.078 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CCC(F)(F)[C@@H](CCl)C1 404050528 XMDCWMMJXOFPJE-QMMMGPOBSA-N 478.502 4.390 50 10 JIGE N#CCCn1cc(/C=C(/C#N)C(=O)NCc2ccc(OCC#N)cc2)c(-c2ccc(Cl)cc2)n1 727678792 FNQJGYRXPJUHDS-ZHZULCJRSA-N 470.920 4.243 50 10 JIGE COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)OCC(=O)c3ccc4c(c3)NC(=O)[C@H](C)O4)c2C)cc1 728086036 JVYWQBAYSGLQQW-IUOVYFEOSA-N 499.523 4.155 50 10 JIGE COc1ccc(Br)c(C(=O)NNC(=O)NCc2ccc(-c3csc(C)n3)s2)c1 728740767 HAAIPRSKDMEGJP-UHFFFAOYSA-N 481.397 4.095 50 10 JIGE CC(=O)N1C[C@H](C(=O)NNc2c(Cl)cc(Br)cc2Cl)Oc2ccccc21 1265502692 WVHKZGKHQIYMCF-OAHLLOKOSA-N 459.127 4.013 50 10 JIGE C/C(=C/c1ccc(Br)o1)C(=O)NNC(=O)COc1ccccc1-c1ccccc1 1538851215 LVLQGZNSNBGMRR-SQFISAMPSA-N 455.308 4.339 50 10 JIGE C=CC[C@@H](NC(=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccncc1 1679026758 NHAMOIGFODLQOP-HSZRJFAPSA-N 452.518 4.196 50 10 JIGE COc1cc(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2F)c1O 1865697056 VVCKUUKHWGFLJV-IBGZPJMESA-N 485.313 4.074 50 10 JIGE CCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865706244 RCRBDKKLSJRKFT-IBGZPJMESA-N 451.870 4.223 50 10 JIGE Brc1cccc(Br)c1COCCOCCI 1904664169 UCEOWLQXLOOYKD-UHFFFAOYSA-N 463.935 4.180 50 10 JIGE CC1(CBr)CC(NC(=O)c2cc(I)ccc2Br)C1 2055632361 CVSZNZSJUBJHDS-UHFFFAOYSA-N 486.973 4.347 50 10 JIGE Brc1cc(I)cnc1N1C[C@H]2[C@H](Br)CCC[C@H]2C1 2069533484 IHVGIFPXNSPGHC-JMJZKYOTSA-N 485.989 4.449 50 10 JIGE CC1(C)C[C@H](Br)CN1C(=O)c1ccc(Br)cc1I 2086147647 PQNYUGUTBPOERM-VIFPVBQESA-N 486.973 4.442 50 10 JIGE C[C@](CCl)(NC(=O)c1ccc(Br)cc1I)C(F)F 2086148809 GJZZAQMMUMFZHJ-LLVKDONJSA-N 452.464 4.046 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1C[C@@H](Br)[C@@H](C2CC2)C1 2090687015 ZFDZJSLCJOEHJF-VXGBXAGGSA-N 454.533 4.190 50 10 JIGE O=C(N[C@@H]1COC2(CCC2)[C@@H]1Br)c1csc(Br)c1Br 2141536444 JBQWMQLVZSOWNF-VXNVDRBHSA-N 474.012 4.088 50 10 JIGE O=S(=O)(c1cc(CBr)ccc1Cl)N1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2179791862 XMIOITJDYKNIGA-HDICACEKSA-N 469.832 4.272 50 10 JIGE C[C@]1(CCOCc2ccccc2)CCN1S(=O)(=O)c1cc(F)ccc1CBr 2197753984 OPQILBCIWSWHCN-HXUWFJFHSA-N 456.377 4.481 50 10 JIGE C[C@H](Br)COCc1cn(-c2cc(Br)cc(Br)c2)nn1 2278382783 NGAMTUBINCXQFQ-QMMMGPOBSA-N 453.960 4.092 50 10 JIGE O=C(c1c(F)cccc1I)N1CC[C@@H](Br)C(F)(F)CC1 2282811493 YYFOYBZJAAUIJI-SNVBAGLBSA-N 462.047 4.065 50 10 JIGE CCOc1cc(C=C(C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2F)cc(Br)c1OC(C)=O 2297551481 NBNBSQDLUQKUNJ-UHFFFAOYSA-N 492.257 4.366 50 10 JIGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)CCc2ccc(OCC)c(OC)c2)c(OC)c1 2314790226 OCPWNYPPVOOONW-UHFFFAOYSA-N 453.491 4.111 50 10 JIGE O=C(N[C@H]1C[C@@H]2C[C@H]1C[C@H]2Br)c1cc(I)ccc1Br 2330900790 JJBDZZRJQDLXJY-VLIVSTDHSA-N 498.984 4.346 50 10 JIGE Cc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(Cl)cc2Cl)cc1Br 12501501 ZHGGCBFQRVVKPH-UHFFFAOYSA-N 461.168 4.014 50 10 JIGE CCCCOc1ccc(C(=O)NNC(=O)CCC(=O)Nc2ccc(C)c(C)c2)cc1Br 14041276 JXQMPWFINBSINE-UHFFFAOYSA-N 490.398 4.425 50 10 JIGE COc1ccc(C=NNC(=O)COc2ccc(Cl)cc2Cl)cc1Cn1nc(C)cc1C 15974230 AMJAFTPFDLQNKT-UHFFFAOYSA-N 461.349 4.393 50 10 JIGE aggregator CCCOC(=O)c1cc(-c2ccc(/C=C3\C(=O)N(CCCO)C(=O)C(C#N)=C3C)o2)ccc1Cl 27550042 LSZZQVKLNPOCRS-AQTBWJFISA-N 482.920 4.141 50 10 JIGE O=C1OC(=O)[C@H]2[C@H]1[C@H](c1ccccc1)C=CN2n1c(-c2ccc(Cl)cc2)nc2ccccc2c1=O 105629390 RTSSVKFLFSTOQB-WWPVKYPJSA-N 483.911 4.034 50 10 JIGE CN(C[C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(CCl)sc1Br 383188064 SIULLKHVIXACHB-OAHLLOKOSA-N 477.877 4.392 50 10 JIGE N#CCCn1cc(/C=C(/C#N)C(=O)OCC(=O)N2CCC[C@@H]3CCCC[C@H]32)c(-c2ccccc2)n1 748916114 FQYUOKOZDAEXRC-QKIDWPOUSA-N 471.561 4.095 50 10 JIGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)N[C@H](C)c2oc3ccccc3c2C)cc1 920850439 AFUNGZRVXUAGIB-WRDGEJPTSA-N 497.555 4.273 50 10 JIGE Cc1cc(C=NNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)c(C)n1-c1cc(Cl)cc(Cl)c1 1084413652 YZGAUIKNAWILKM-UHFFFAOYSA-N 474.304 4.398 50 10 JIGE Cc1cccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2cncc(Br)c2)CCC3)n1 1772746752 GGCKUWOCGDEOCX-UHFFFAOYSA-N 482.338 4.172 50 10 JIGE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(OC)c(OC)c1)C(C#N)=C(N)O2 1865708049 MSJCXDPYLWHUIG-OAQYLSRUSA-N 450.926 4.383 50 10 JIGE CC[C@](C)(NC(=O)Cc1nc(-c2ccc3c(c2)OCO3)oc1C)C(=O)Nc1ccc(SC#N)cc1 1867190907 HICGZONOQNUMJL-VWLOTQADSA-N 492.557 4.418 50 10 JIGE CC[C@H]1CN(c2ncc(I)cc2Br)C[C@H]1CBr 2025365455 ZZSDUJIEOHAMCC-DTWKUNHWSA-N 473.978 4.306 50 10 JIGE O=C(N[C@@H]1C[C@H](CBr)[C@H]2C[C@@H]21)c1cc(Br)c(Br)s1 2048003874 BOHHFUZBMIEUGW-JAGXHNFQSA-N 458.013 4.422 50 10 JIGE CCOC(=O)c1cc(CBr)c(OC(F)(F)F)cc1I 2055265642 JVOTVNNSPWXMOF-UHFFFAOYSA-N 452.992 4.261 50 10 JIGE C[P@]1(=O)C[C@@H](Br)[C@H](NC(=O)c2cc(Br)c(Br)s2)C1 2057665844 KMVVPBQIRRVLFE-TXLFOSJXSA-N 479.956 4.142 50 10 JIGE CN(CC(C)(C)CBr)S(=O)(=O)c1cc(Br)ccc1Br 2094610865 CHHYNCNMXDTPCF-UHFFFAOYSA-N 478.044 4.253 50 10 JIGE CC1CC(CBr)(CNC(=O)c2cc(Cl)ccc2I)C1 2128733125 VEEQHZNOJICRDB-UHFFFAOYSA-N 456.549 4.486 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1CC[C@H](Br)[C@@H]2CC[C@H]21 2133725081 XPKSPSCLMXJLAP-XHVZSJERSA-N 454.533 4.333 50 10 JIGE O=C(N[C@@H]1C[C@H](CCl)[C@@H]2C[C@@H]12)c1ccc(Br)cc1I 2142285705 SXVYBBRSIGBBBJ-DRBGRCKSSA-N 454.533 4.047 50 10 JIGE C[C@H](Br)C[C@H]1COCCN1C(=O)c1ccc(Br)cc1Br 2185320124 VEWQXWSNMKFOEM-ONGXEEELSA-N 469.999 4.226 50 10 JIGE Cc1nn(C)c(Br)c1[C@H](Cl)c1cc(I)cc2c1OCC2 2185750865 PMUNOFDWVDNZTF-GFCCVEGCSA-N 467.532 4.359 50 10 JIGE CC[C@@H]1[C@H](Br)CCN1C(=O)c1cc(I)ccc1Br 2260414979 MJMJNISTMARJRC-VXGBXAGGSA-N 486.973 4.442 50 10 JIGE Cc1cccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)NCCc2ccccc2)c1C 2296544483 MQHACCBVSUQYDI-UHFFFAOYSA-N 464.525 4.370 50 10 JIGE Cc1ccc(S(=O)(=O)C(C#N)=Cc2c(Oc3ccccc3C)nc3ccccn3c2=O)cc1 2297455655 MEDGSXGGXNSAFI-UHFFFAOYSA-N 457.511 4.442 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(O[C@@H]2CC[C@@H]3[C@H]2C3(F)F)C1 2298201405 AIFZPRATUYYZAJ-JXFSHQFZSA-N 457.299 4.251 50 10 JIGE O=S1(=O)CCC([C@H](Br)c2sc(Cl)cc2I)CC1 2300954244 VCISRBKKWFHVJQ-VIFPVBQESA-N 469.591 4.267 50 10 JIGE N#CC(=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 2314478849 XGZCWVLADPBLEI-UHFFFAOYSA-N 462.487 4.440 50 10 JIGE C[C@@H]1CC2CC(CO[C@@]3(CI)CCCN(C(=O)OC(C)(C)C)C3)(C2)O1 2319565725 TWPAWYBSDZAISN-RQRBMRNWSA-N 465.372 4.165 50 10 JIGE CCOc1cc(C=NNC(=O)c2ccc3nc(SC(C)C)[nH]c3c2)cc([N+](=O)[O-])c1OC 2323607400 JSERSCHGMSKUQD-UHFFFAOYSA-N 457.512 4.143 50 10 JIGE O=C(N[C@@H]1C[C@@H](CCl)[C@H]2C[C@H]21)c1cc(I)ccc1Br 2329873000 GAHBHSRKYLPKFS-OJPPFWEXSA-N 454.533 4.047 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@H]2CC[C@H]1[C@H](Cl)C2 2349945490 JDKGBWFAYPAZHR-KDDOJWQBSA-N 454.533 4.286 50 10 JIGE Cn1nc(Br)c(Br)c1[C@H](Br)c1ccc2c(c1)OCCO2 2364228687 PPELSOMRGZAIHQ-SNVBAGLBSA-N 466.955 4.201 50 10 JIGE COc1cc(OC)c([C@@H]2C(C#N)=C3N=C(N)c4ccccc4N3C3=C2C(=O)CC(C)(C)C3)cc1OC 3654554 XHGMTYRVYNLXRM-XMMPIXPASA-N 484.556 4.413 50 10 JIGE COC(=O)c1c(NC(=O)/C(C#N)=C\c2ccccc2OCc2ccccc2F)sc(C(N)=O)c1C 34988668 XGHUJSQOYPKXGZ-BOPFTXTBSA-N 493.516 4.206 50 10 JIGE CC(C)COC(=O)c1ccc(Nc2ncnc(NNC(=O)c3ccc(Br)cc3)c2N)cc1 40782978 VLKUYEMPHMEHBE-UHFFFAOYSA-N 499.369 4.135 50 10 JIGE O=C1[C@H](Br)CCN1c1c(Br)cc(Br)cc1Br 111218657 YVJMOMJCWHLRCC-ZCFIWIBFSA-N 476.788 4.474 50 10 JIGE O=C(NN=Cc1cc(Br)ccc1OCc1cccc(F)c1)c1cc(O)cc(O)c1 254828396 LQSIEPUOJWMGBB-UHFFFAOYSA-N 459.271 4.342 50 10 JIGE CN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(CCl)cc1Br 388844227 YKAYXXLPJUUDGT-QGZVFWFLSA-N 457.821 4.083 50 10 JIGE Cn1cncc1CC(CBr)(CBr)c1ccccc1Br 401888633 VVOTYMGQPILXRT-UHFFFAOYSA-N 451.000 4.453 50 10 JIGE C[C@@H]1C[C@@H](Br)CCN1S(=O)(=O)c1cc(Br)ccc1Br 705605255 NUOQQICPQXEZFA-SCZZXKLOSA-N 476.028 4.148 50 10 JIGE C[C@@H]1CC[C@@H](Br)CN1C(=O)c1ccc(I)c(Br)c1 721615022 BZSDCSPJNBTVEZ-PSASIEDQSA-N 486.973 4.442 50 10 JIGE Cc1ccc(NC(=O)CN2C(=O)C(=NNC(=O)COc3ccc(C(C)(C)C)cc3)c3ccccc32)cc1 1084049146 GLBVOIOFVGXLJA-UHFFFAOYSA-N 498.583 4.177 50 10 JIGE COc1cccc(NC(=O)C(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3Cl)c2C)c1 1084470424 WBNYXUDQLDUSKN-UHFFFAOYSA-N 459.333 4.498 50 10 JIGE CC(=O)N1Cc2ccc(NC(=O)NNc3cccc(OC(F)F)c3Br)cc2C1 1669061308 SAFAFZFBXUBXCB-UHFFFAOYSA-N 455.259 4.061 50 10 JIGE CCCCCCC(=O)NCCc1ccc(S(=O)(=O)NC(=O)Nc2ccc(SC#N)cc2)cc1 1858999714 OZMQNGGRMQYLBO-UHFFFAOYSA-N 488.635 4.399 50 10 JIGE CN(C)[C@@H](C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1)c1ccccc1 1866705349 VFYROTVXRHBPJO-DNQXCXABSA-N 476.577 4.368 50 10 JIGE COC(=O)[C@H](Br)CNc1cc(Br)c(Br)c(Br)c1 1946434725 NITFZVNTPXEYMY-MRVPVSSYSA-N 494.803 4.323 50 10 JIGE CC(C)(C)OC(=O)N[C@@H](CBr)Cc1cc(Br)c2c(c1)OCCO2 1984038578 BGJCGXSLCCNEGE-LLVKDONJSA-N 451.155 4.051 50 10 JIGE CC[C@@H](Br)CN(C)C(=O)c1ccc(Br)cc1I 2026221420 LLZVIHQVPNLLET-MRVPVSSYSA-N 474.962 4.299 50 10 JIGE CC1(C)CN(C(=O)c2ccc(I)c(Br)c2)[C@@H]1CBr 2031680643 MVEWLEVRWNHIBL-LLVKDONJSA-N 486.973 4.299 50 10 JIGE C#CC[C@@](C)(CBr)CNC(=O)c1scc(Br)c1Br 2084840281 DAYGGSZLWLBLJG-LBPRGKRZSA-N 458.013 4.427 50 10 JIGE O=C(NC[C@H](CBr)C1CC1)c1ccc(Br)cc1I 2086138543 CAJJDFXKZJFDMY-VIFPVBQESA-N 486.973 4.205 50 10 JIGE C[C@@H]1CN(C(=O)c2ccc(Br)cc2I)C[C@@H]1CBr 2086139325 NAMRPAOVHNIKJB-BDAKNGLRSA-N 486.973 4.157 50 10 JIGE Cn1nc([C@H](Br)c2cc(Br)cc3c2OCC3)cc1Br 2094082780 SDDORWUKOZVBFY-GFCCVEGCSA-N 450.956 4.364 50 10 JIGE BrCCN1CCC[C@H](NCc2c(Br)cccc2Br)C1 2094101968 JOBARAQPMFAWQE-NSHDSACASA-N 455.032 4.161 50 10 JIGE C[C@@H]1C[C@@H]1N(CCBr)S(=O)(=O)c1cc(Br)ccc1Br 2110789302 JTJQCVCFQPKBRL-KCJUWKMLSA-N 476.028 4.006 50 10 JIGE Brc1cccc(Br)c1CN1CCO[C@@H]2C[C@@H](Br)C[C@H]21 2128883636 KBUSERHFYLMJAH-CUOATXAZSA-N 454.000 4.338 50 10 JIGE O=C(N[C@@H]1CCCC[C@@H]1CCBr)c1ccc(I)c(O)c1 2146717354 AZMOVLZRQGAMSP-ZWNOBZJWSA-N 452.130 4.070 50 10 JIGE CO[C@@H]1CC(O[C@@H](CI)c2ccccc2Br)C[C@H]1OC 2166422152 WIDIFIJYXBXFHK-KFWWJZLASA-N 455.130 4.134 50 10 JIGE CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)[C@H](Br)C2CCCC2)C[C@H]1C(F)(F)F 2167034815 UGOQFLYDAMSOBE-MGPQQGTHSA-N 457.331 4.102 50 10 JIGE O=C(NC[C@@H]1CCC[C@@H](CBr)C1)c1cc(I)ccc1F 2169665224 VCXSBCZHNPZKQS-GHMZBOCLSA-N 454.121 4.361 50 10 JIGE Fc1cc(Br)cc(-n2cnc3c(Br)ncnc32)c1CBr 2175916817 PKHWPJGCMJREGD-UHFFFAOYSA-N 464.918 4.375 50 10 JIGE O=C(c1cc(I)sn1)N1C[C@H](Br)CC12CCCCC2 2232242639 GFQJKQGMCCKFDO-SECBINFHSA-N 455.159 4.060 50 10 JIGE C[C@H]1C[C@H](CBr)CN(C(=O)c2ccc(Cl)c(I)c2)C1 2268354515 CGDQNGFCIVDIOW-VHSXEESVSA-N 456.549 4.438 50 10 JIGE O=C(N[C@H](CBr)C[C@@H]1CCCO1)c1ccc(Cl)c(I)c1 2283661492 GVMMVBUXJLNPHH-QWRGUYRKSA-N 472.548 4.007 50 10 JIGE CC(C=NNC(=O)c1cc(I)ccc1Cl)=Cc1ccc2c(c1)OCO2 2297550429 PKMYWRZYWWKYNM-UHFFFAOYSA-N 468.678 4.492 50 10 JIGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(F)cc3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314593018 FWFYJKKTYRNJEE-JOCHJYFZSA-N 477.517 4.170 50 10 JIGE O=C(NCC(F)(F)C(F)(F)CI)c1ccc(F)cc1Br 2361685762 BPPKUOFOMKRVNC-UHFFFAOYSA-N 471.989 4.024 50 10 JIGE CC(C)c1ccccc1NC(=S)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1 3423305 ZQCCKCAETTXRAM-UHFFFAOYSA-N 474.633 4.304 50 10 JIGE CC[C@@H]1CCc2sc(-c3nnc(SCC(=O)NNC(=O)c4ccc(Cl)cc4)n3C)cc2C1 10440178 DNYOYWQVNCHLJT-CYBMUJFWSA-N 490.054 4.265 50 10 JIGE O=C(CSc1nc2ccccc2o1)N/N=C\c1cc(Br)c(O)c(Br)c1 32519961 DVXKWDRRFOEDIE-GXHLCREISA-N 485.157 4.301 50 10 JIGE Cc1cc(C)cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc([N+](=O)[O-])cc2)c1 38654875 AFEDATHIULZFNP-RUZDIDTESA-N 471.469 4.414 50 10 JIGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)c1OC 38658891 SZWBTHFDFCRYMY-OWJWWREXSA-N 490.487 4.434 50 10 JIGE O=C(Cc1ccccc1)NNc1ncnc(NN(c2ccccc2)c2ccccc2)c1[N+](=O)[O-] 40646441 IGHSCIZBQUZPFW-UHFFFAOYSA-N 455.478 4.236 50 10 JIGE CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)cc1 40868344 LSRVXVXJXBRZBO-XMHGGMMESA-N 480.546 4.427 50 10 JIGE COc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)c1 101337152 DXOOWEUEXCNJDP-SFFGGSCWSA-N 494.551 4.319 50 10 JIGE O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1cccc(N2NC(=O)[C@H]3CC=CC[C@H]3C2=O)c1 109284063 YTSOOEVBOMTWSO-LSDHHAIUSA-N 479.751 4.364 50 10 JIGE O=S(=O)(c1cc(Cl)c(Br)s1)N(CCCBr)C1CCC1 228564952 WEZQGQVNLCZJHZ-UHFFFAOYSA-N 451.633 4.492 50 10 JIGE COc1ccc(-n2c(SCC(=O)NN=Cc3cccc(F)c3)nnc2-c2ccccc2)cc1 254397245 BHEZYMHSFXVTKC-UHFFFAOYSA-N 461.522 4.324 50 10 JIGE Cc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)CNC(=O)c2cccc(C)c2)cc1 254751830 OFCQOEDXXVNDDX-UHFFFAOYSA-N 451.530 4.036 50 10 JIGE CN(C[C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(CCl)cc1Br 383190273 WHFYEMBUQAQALB-GOSISDBHSA-N 471.848 4.331 50 10 JIGE O=S(=O)(NCC1(N(Cc2ccccc2)Cc2ccccc2)COC1)c1cccc(CCl)c1 705864088 JHURXPPCOSZMHY-UHFFFAOYSA-N 471.022 4.175 50 10 JIGE N#CCCn1cc(/C=C(/C#N)C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c(-c2ccccc2)n1 914464237 HDTATBJBEIEZHG-NKFKGCMQSA-N 478.556 4.248 50 10 JIGE C=CCOc1ccc(/C=C/C(=O)NNC(=O)[C@@H](C)Oc2c(C)cc(Cl)cc2C)cc1OC 1623892170 XKMXCMBGGFGQPK-SYJIQKIWSA-N 458.942 4.158 50 10 JIGE COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)cc2)cc1OC 1865711287 UXECOGDKMHDXDO-QFIPXVFZSA-N 466.925 4.137 50 10 JIGE C=CCOc1ccccc1OCC(=O)NNC(=O)c1ccc(-c2ccc(Cl)cc2)nc1C 1865755470 ABDHRJTYMBUQPJ-UHFFFAOYSA-N 451.910 4.115 50 10 JIGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1ccc(I)cc1 1902794366 JHLBNGOKVHJMCU-KRWDZBQOSA-N 488.163 4.391 50 10 JIGE CC1([C@@H](Br)c2cc(Br)c(Br)s2)CS(=O)(=O)C1 1938939753 SVBDWHWRISOEIG-ZETCQYMHSA-N 453.015 4.144 50 10 JIGE Cc1c(C(=O)N(Cc2ccccc2)C2(CBr)CCC2)c(Br)nn1C 2014541232 IAWAHYNLCPFZTI-UHFFFAOYSA-N 455.194 4.451 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CC[C@H](CCBr)C1 2086147626 PLQGSIJWDAXLRV-VIFPVBQESA-N 486.973 4.301 50 10 JIGE C[C@H]1C[C@H](Br)CCN1C(=O)c1ccc(Br)cc1I 2086154152 RAKHWFONEQNJBA-WCBMZHEXSA-N 486.973 4.442 50 10 JIGE O=C(N[C@@H]1C[C@H]2C[C@H]1C[C@@H]2Cl)c1cc(Br)ccc1I 2104401194 GWADOIUQLUODIK-AOOGTALZSA-N 454.533 4.189 50 10 JIGE COC(=O)[C@@H](Br)CN(CCCNC(=O)OC(C)(C)C)c1cccc(Br)c1 2106403090 CIMFVGFTMMPDEE-HNNXBMFYSA-N 494.224 4.107 50 10 JIGE O=C(N[C@@H]1C[C@H](CBr)[C@@H]2C[C@H]12)c1c(Br)cccc1Br 2110549349 MXKWNWDPKXVDPF-JDVQERKKSA-N 451.984 4.361 50 10 JIGE BrC[C@@H]1C[C@@H]2OCC[C@@H]2N1Cc1cc(Br)ccc1Br 2118525465 UMYGMTBMPNYYCJ-UBHSHLNASA-N 454.000 4.338 50 10 JIGE C[P@]1(=O)C[C@@H](Br)[C@@H](NC(=O)c2cc(Br)ccc2Br)C1 2121336236 FPVOHSFAUPPWKU-FDMGOTLNSA-N 473.927 4.080 50 10 JIGE Cc1sc(CBr)cc1S(=O)(=O)N(C)[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 2123243775 NZRVTGJLVGSMRJ-WMLDXEAASA-N 457.459 4.235 50 10 JIGE CCCN1CC[C@@H]([C@H](Br)c2ccc(Br)cc2Br)S1(=O)=O 2145775122 ZQHOCSIIJXDIEN-QWHCGFSZSA-N 490.055 4.462 50 10 JIGE C[C@H]1CN(Cc2ccccc2)C[C@H](C)N(S(=O)(=O)c2ccc(CCBr)s2)C1 2179814996 JAHWOJWVVHBYNM-IRXDYDNUSA-N 471.486 4.217 50 10 JIGE CN(C)CCCN(Cc1ccccc1)S(=O)(=O)c1ccc(F)c(CBr)c1F 2179859975 LQPIYSFBFZROJN-UHFFFAOYSA-N 461.372 4.002 50 10 JIGE C[C@@H](Br)[C@@H](NS(=O)(=O)c1ccc(Cl)c(Br)c1)C(F)(F)F 2195326359 ZNWRMKFAFBKXMW-MLUIRONXSA-N 459.509 4.095 50 10 JIGE CCN(CC)S(=O)(=O)C[C@H](Br)c1ccc(Cl)c(I)c1 2268270267 NHIPKVLTMRVSHO-JTQLQIEISA-N 480.593 4.052 50 10 JIGE Cc1nc(C2CCN(C(=O)[C@@H](Cl)C(C)C)CC2)nc2c1CCC(=O)N2Cc1cccc(F)c1 2296577991 HUKMFSJEPVEMFD-QFIPXVFZSA-N 472.992 4.373 50 10 JIGE CCOC(O)=C(C#N)[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)Nc1ccccc1)[n+]1ccccc1 2313506000 CANNDDXDOICCNG-PKTZIBPZSA-O 459.482 4.176 50 10 JIGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)CCCOc1ccc(C(C)C)cc1 2314795889 ANXDAWHCDSUTMB-UHFFFAOYSA-N 492.572 4.349 50 10 JIGE Brc1cc(C[C@@H]2CN(C3CC3)C[C@H]2Br)ccc1I 2325227350 ZEIPTJRWTUOGPF-ZWNOBZJWSA-N 485.001 4.454 50 10 JIGE CC(C)(CBr)c1cn(Cc2cc(I)ccc2Cl)nn1 2352362961 OOLJXACKIKNAOV-UHFFFAOYSA-N 454.537 4.257 50 10 JIGE FC(F)(CI)C(F)(F)CNCCOc1cccc(Br)c1 2361672274 NYXAYGCUSMCHNC-UHFFFAOYSA-N 470.042 4.123 50 10 JIGE O=S(=O)(N[C@@H](CCBr)COCc1ccccc1)c1ccc2c(c1)CCCC2 2369430511 DSSUPZGILBWYKE-FQEVSTJZSA-N 452.414 4.214 50 10 JIGE CCn1ncc(I)c1-n1c(CCl)nc2c(Br)cccc21 2381979298 IRDKDVVITCATJA-UHFFFAOYSA-N 465.520 4.348 50 10 JIGE C/C(=C\C#N)N1C(=O)c2ccc(C(=O)Nc3ccc(-c4nc5ccccc5c(=O)o4)cc3)cc2C1=O 8908255 UOFRYINWVWANSQ-NTCAYCPXSA-N 476.448 4.131 50 10 JIGE Cc1cccc(C)c1O[C@H](C)C(=O)NNC(=O)COc1ccc(C(C)C)cc1Br 14639370 MDRFKSZGMOSVSZ-MRXNPFEDSA-N 463.372 4.183 50 10 JIGE COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NNC(=O)c1cn(C)c2ccccc12 24476244 FCJWWCMNWJALAA-UHFFFAOYSA-N 465.513 4.114 50 10 JIGE N#C/C(=C/c1cccc(OS(=O)(=O)c2ccc(Cl)cc2)c1)C(=O)Nc1ccc(C(=O)O)cc1 33778020 SPLFRJNHSQWXOE-ATVHPVEESA-N 482.901 4.352 50 10 JIGE O=C(NN1C(=O)/C(=C\c2ccccn2)N=C1c1ccccc1)[C@@H](Cl)CC(Cl)(Cl)Cl 34772549 BSXHGUHUKWCTCD-GWQWUEFDSA-N 472.159 4.110 50 10 JIGE COc1cccc(NC(=O)/C(C#N)=C\c2c(Oc3ccccc3F)nc3ccccn3c2=O)c1 39858725 HXLDNRGMJUPHCX-SSZFMOIBSA-N 456.433 4.180 50 10 JIGE O=C(O)c1ccc(Nc2ncnc(NNC(=O)C(c3ccccc3)c3ccccc3)c2[N+](=O)[O-])cc1 40659389 CITNWEDZDUEOJT-UHFFFAOYSA-N 484.472 4.102 50 10 JIGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3cccc(C)c3)cc2)cc1 254290236 IFALFUONPJRMSY-UHFFFAOYSA-N 473.529 4.482 50 10 JIGE CCCCOc1ccc(C=NNC(=O)C(=O)Nc2ccccc2C(=O)Nc2ccccc2)cc1 254445839 VSCKNTAYAWBBLT-UHFFFAOYSA-N 458.518 4.207 50 10 JIGE ClCc1c(I)ccc(Br)c1I 575685363 FRWWVAWTDDIOET-UHFFFAOYSA-N 457.274 4.397 50 10 JIGE C[C@H]1CN(S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)C[C@H]1CBr 709235974 CLEJSIMNANIJRY-JGVFFNPUSA-N 466.022 4.407 50 10 JIGE CC[C@@H](Br)CCNC(=O)c1ccc(I)c(Br)c1 721593853 MKLJIANWHHUEDE-SECBINFHSA-N 474.962 4.347 50 10 JIGE Cn1cc(C(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)c(C2CCCCC2)n1 726751592 BHSQUHDUBLDXKY-UHFFFAOYSA-N 450.514 4.261 50 10 JIGE COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)c1C 913149915 HCDHLNBCCPAEJK-NITKFFBTSA-N 468.598 4.082 50 10 JIGE COc1ccc(C=NNC(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)cc1 1084246635 XYESGDHOEIKDMM-UHFFFAOYSA-N 452.308 4.474 50 10 JIGE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NNC(=O)c1cc(-c2cc(C)ccc2C)[nH]n1 1637738887 XEMVGTOYDMCKPE-UHFFFAOYSA-N 458.440 4.352 50 10 JIGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)c(Cl)c2)c1O 1865683826 IYCQMMFGQGQKIH-IBGZPJMESA-N 457.317 4.479 50 10 JIGE COc1ccc(-c2csc(/C(C#N)=C(\O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)cc1C 1872746811 ZFWKEGDYUZGDKT-SDXDJHTJSA-N 476.470 4.124 50 10 JIGE C[C@@H]1[C@H](Br)CCN1C(=O)c1cc(I)ccc1Br 1914448211 LESHGURJCBKFIA-GMSGAONNSA-N 472.946 4.052 50 10 JIGE Brc1ccc(CNCCOCCCI)c(Br)c1 1997687054 UOTIWMJJZJTYCH-UHFFFAOYSA-N 476.978 4.143 50 10 JIGE O=C(N[C@@H](CBr)C(F)(F)F)c1ccc(I)c(Cl)c1 2029992914 ICQMAQMRKKTZEA-QMMMGPOBSA-N 456.427 4.000 50 10 JIGE O=C(NNC=C1C(=O)N(c2ccccc2C(F)(F)F)C(=O)c2ccccc21)c1ccccc1 2042453713 ZOAKDZYGLUIPTL-UHFFFAOYSA-N 451.404 4.168 50 10 JIGE CCOC(=O)Cc1cc(I)c(OC(F)(F)F)cc1CBr 2055275806 OVYLWZAXIRHBKH-UHFFFAOYSA-N 467.019 4.190 50 10 JIGE CC(C)(C)OC(=O)N1CCC(CI)(OCCCN2CCCCC2)CC1 2055694041 OCBNTTPVWDAPFY-UHFFFAOYSA-N 466.404 4.084 50 10 JIGE Cn1nc([C@@H](Br)c2cc(Br)cc3c2OCC3)cc1Br 2094082781 SDDORWUKOZVBFY-LBPRGKRZSA-N 450.956 4.364 50 10 JIGE CN(C(=O)c1cc(Br)ccc1I)[C@@H](CCCl)C(F)F 2122009110 OFCRFLDAUDPUEG-JTQLQIEISA-N 466.491 4.388 50 10 JIGE Brc1cccc(CN2CCO[C@@H]3C[C@@H](Br)C[C@H]32)c1Br 2128883847 LDIQIAKDWGJNPU-CYZMBNFOSA-N 454.000 4.338 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N(C)CC(F)(F)CCl)cc1Br 2150967469 MQPZYPBQZGCFFB-UHFFFAOYSA-N 455.546 4.015 50 10 JIGE Cc1ccc(S(=O)(=O)N2C[C@@H](C)N(Cc3ccccc3)C[C@@H]2C)cc1CBr 2179786335 ZGVOEVKQZMBDAR-MSOLQXFVSA-N 451.430 4.173 50 10 JIGE O=S(=O)(c1cc(CBr)sc1Br)N1CC[C@@H](CC(F)F)C1 2179787752 TXZOPWYGFCWLGC-ZETCQYMHSA-N 453.168 4.071 50 10 JIGE CCc1ccc(CBr)cc1S(=O)(=O)N1CC[C@H](COCc2ccccc2)C1 2179853726 LLXNFHYCWUEVBX-IBGZPJMESA-N 452.414 4.371 50 10 JIGE O=C(c1ccc(Br)c(C(F)(F)F)c1)N1C[C@H](Br)[C@H](Br)C1 2196129217 IEHCBJPEFOXMDM-AOOOYVTPSA-N 479.916 4.451 50 10 JIGE Cc1cc(S(=O)(=O)N2C[C@@H]3CCC[C@H](C2)N3Cc2ccccc2)sc1CBr 2234724593 BGLOJWNXKRAFGT-HDICACEKSA-N 469.470 4.379 50 10 JIGE O=C(c1cccc(F)c1I)N1C[C@@H](Br)CC12CCCC2 2241027141 RPYHRQXBJDQPFQ-JTQLQIEISA-N 452.105 4.353 50 10 JIGE CC[C@H]1[C@H](Br)CCN1C(=O)c1cc(I)ccc1Br 2260414976 MJMJNISTMARJRC-NEPJUHHUSA-N 486.973 4.442 50 10 JIGE Cc1ccc(N2C(=O)[C@H](Cc3cccc([N+](=O)[O-])c3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2293038619 PBVYTVLUKVOAAG-QFIPXVFZSA-N 488.525 4.239 50 10 JIGE CCCCOc1ccccc1C=NNC(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1 2297604706 GHKLONJKHFVYFC-UHFFFAOYSA-N 495.601 4.220 50 10 JIGE Brc1cc(I)cnc1N1C[C@H]2CC[C@H]1[C@H](Br)C2 2306272529 BIBQQFANQOYOFL-NMLBEHRDSA-N 471.962 4.201 50 10 JIGE O=C(c1c(Br)cccc1Br)N1C[C@H]2C[C@@H](CBr)[C@H]2C1 2330496422 PRXBARRQIUZWAM-IVZWLZJFSA-N 451.984 4.315 50 10 JIGE CC(C)(C)OC(=O)N[C@@H]1CCN(C[C@@]2(CBr)CC2(F)F)[C@@H](C(F)(F)F)C1 2351891962 YCTPVASFBIHKJN-GYSYKLTISA-N 451.274 4.327 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N[C@H]1C[C@@H](CBr)[C@H]2C[C@@H]12 2360163735 NKVIBSJFVSTMHP-VKKKGTNTSA-N 466.011 4.290 50 10 JIGE CCCOC(=O)c1ccc(OCC(=O)NNC(=O)[C@@H](CC)Oc2ccccc2[C@@H](C)CC)cc1 10683810 AOLVJCRBJCVJSE-PGRDOPGGSA-N 470.566 4.151 50 10 JIGE Cc1c(C(=O)NNC(=O)CCCCCn2c(=S)[nH]c3ccccc3c2=O)oc2ccccc12 17449655 WKVMOOJQCHOPPP-UHFFFAOYSA-N 464.547 4.135 50 10 JIGE CCOC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N(CC)CC)c1 35447537 RFMLZOWAAXBKAU-HKWRFOASSA-N 478.574 4.040 50 10 JIGE CCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(C(=O)OC)cc1 38683683 PEGCJQTWHRGYFB-DEOSSOPVSA-N 470.481 4.309 50 10 JIGE CC(C)COC(=O)c1ccc(Nc2ncnc(NNC(=O)c3ccc(Cl)cc3)c2N)cc1 40782977 WJLZMPPVCTUULM-UHFFFAOYSA-N 454.918 4.026 50 10 JIGE Cc1cc(OCC(=O)N/N=C/c2ccc(O)c([N+](=O)[O-])c2)c(C(C)C)cc1Br 40910436 IUIAGZVINYUAOH-ZVBGSRNCSA-N 450.289 4.024 50 10 JIGE CCCOc1ccc([C@@H](C(=O)NC2CCC(C)CC2)N(C(=O)CCl)C2CC2)cc1OC 97914719 RIKXUTDKFJGPBQ-KOBHVQJXSA-N 451.007 4.450 50 10 JIGE O=C(N[C@H](Cc1ccccc1)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1)C(Cl)Cl 103219467 POGJOQUXPRQAFK-CQSZACIVSA-N 469.781 4.328 50 10 JIGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CCC[C@@H]1CCCBr 126050614 BMHJQTHYIXWCTK-QMMMGPOBSA-N 451.633 4.492 50 10 JIGE CO[C@@H]1[C@@H](Br)C[C@@H]1Oc1c(Br)cc([N+](=O)[O-])cc1Br 229271182 FQPMBCAXEZLEAJ-ATZCPNFKSA-N 459.916 4.049 50 10 JIGE C[C@@]1(C(=O)NN=Cc2ccc(COc3ccc(C#N)cc3)o2)CC1(Br)Br 252641298 ZBKOAKKNZYMYBP-KRWDZBQOSA-N 481.144 4.076 50 10 JIGE O=C(NN=Cc1ccc(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1)c1cccnc1 254557039 COQMSDRAYQBALI-UHFFFAOYSA-N 465.465 4.284 50 10 JIGE COc1ccc(-n2c(SCC(=O)NN=C/C=C\c3ccco3)nnc2-c2ccccc2)cc1 254559196 YVWFALYVEPSYHU-BOUMBJFTSA-N 459.531 4.443 50 10 JIGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc([N+](=O)[O-])cc3)cc2OC)cc1 254747194 VCJMFASEGRBLPO-UHFFFAOYSA-N 477.473 4.375 50 10 JIGE O=C(Oc1ccc(C=NNC(=O)c2cc3ccccc3cc2O)cc1[N+](=O)[O-])c1ccccc1 254848020 FANYNHJOXGHRFU-UHFFFAOYSA-N 455.426 4.437 50 10 JIGE Cl[C@H]1[C@H](Br)[C@H](Br)[C@@H](Cl)[C@@H](Br)[C@@H]1Br 261511409 KEVIWEIHWVXBPD-BVSGAQNKSA-N 468.636 4.269 50 10 JIGE CC[C@@H](C)[C@@H](COC1(CI)CCN(C(=O)OC(C)(C)C)CC1)OC 384672469 DGXMVTXJJVRHDY-HUUCEWRRSA-N 455.377 4.269 50 10 JIGE CCC(=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(=O)C[C@]21C 1073270400 VAUBWHIQMRKGBN-FTHBOAQFSA-N 464.961 4.311 50 10 JIGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)cc1 1084008904 BOTNNARUDOYVNL-RUZDIDTESA-N 477.561 4.243 50 10 JIGE Cc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1cccc(C(=O)O)c1 1084163572 HIIZMQJOWFPIFS-XQNSMLJCSA-N 454.530 4.048 50 10 JIGE CC(C)(C)OC(=O)N1C[C@H](c2cc(F)ccc2[N+](=O)[O-])[C@@H](CI)C1 1614691311 BQNVZDMOKBTMMG-GWCFXTLKSA-N 450.248 4.119 50 10 JIGE C=CCn1ncc2ccc(NC(=O)NNC(=O)COc3ccccc3Cc3ccccc3)cc21 1674679183 DOJCZBJZCKVAPI-UHFFFAOYSA-N 455.518 4.045 50 10 JIGE CCc1nn(Cc2ccccc2F)c2c1[C@H](c1cc(Br)c(O)c(OC)c1)C(C#N)=C(N)O2 1865689123 KKIVYOHUPJGNOI-LJQANCHMSA-N 499.340 4.328 50 10 JIGE O=C(NC[C@@H](Br)CBr)c1c(Br)cccc1Br 1981562751 POQNYRBOPQNVJK-LURJTMIESA-N 478.804 4.100 50 10 JIGE C[C@H]1[C@@H](Br)CCN1C(=O)c1ccc(Br)cc1I 2026216074 DCFCQSPAYHPSON-XVKPBYJWSA-N 472.946 4.052 50 10 JIGE O=C(NC[C@@H](CBr)C1CC1)c1cc(Br)ccc1I 2029480751 GBIHCHRWDZSKBN-SECBINFHSA-N 486.973 4.205 50 10 JIGE CCOC(=O)c1cc(I)cc(CBr)c1OC(F)(F)F 2055272201 HOSJBQQVMPPNNM-UHFFFAOYSA-N 452.992 4.261 50 10 JIGE O=S(=O)(C[C@H](Br)c1cccc(Br)c1Br)N1CCCC1 2092336461 YBSLRFCGEGNRAJ-NSHDSACASA-N 476.028 4.073 50 10 JIGE O=S(=O)(c1ccc(CBr)s1)N1CC[C@H]2CC[C@@H](C1)N2Cc1ccccc1 2123229043 HIDKQALTXWCPTK-SJORKVTESA-N 455.443 4.071 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CC2(CC(CCl)C2)C1 2129960071 SDHSJCYMMQGQKO-UHFFFAOYSA-N 454.533 4.145 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CC[C@H](Cl)[C@H]2CC[C@@H]21 2133738183 VUOBPZINNPEQJV-CDMKHQONSA-N 454.533 4.286 50 10 JIGE COCCN(C)C[C@H](Br)CCc1ccc(I)c(Cl)c1 2142937264 PCMFEYGAYCHTQK-GFCCVEGCSA-N 460.581 4.219 50 10 JIGE CCN(CC)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(CBr)cc1C 2179786865 HBFICWCTGPKHTF-UHFFFAOYSA-N 453.446 4.423 50 10 JIGE CN(CC1CCN(Cc2ccccc2)CC1)S(=O)(=O)C1CCC(CBr)CC1 2179825194 DVEJISOLUWPBMJ-UHFFFAOYSA-N 457.478 4.114 50 10 JIGE Cn1nc(Br)c([C@H](Cl)c2cc(Br)c(Br)s2)n1 2210977112 DHQYXMGFPWCCMP-RXMQYKEDSA-N 450.381 4.492 50 10 JIGE CN(C[C@H]1C[C@H]1Br)C(=O)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229124387 XNNJRESWIYIKTJ-BMFZPTHFSA-N 490.236 4.127 50 10 JIGE C[C@@H](Cl)c1nc2cncnc2n1-c1cc(I)ccc1Br 2235284632 WVUDKMXMFNTWLJ-SSDOTTSWSA-N 463.504 4.482 50 10 JIGE COc1ccc(CCN2C(=O)C(=CNc3ccc(Br)cc3)C(C)=C(C#N)C2=O)cc1OC 2314579336 QBPIACUKBFHQCX-UHFFFAOYSA-N 496.361 4.214 50 10 JIGE COc1ccc(CCN2C(=O)C(=CNc3ccccc3Br)C(C)=C(C#N)C2=O)cc1OC 2314579425 SIHCKZSOOZZXKH-UHFFFAOYSA-N 496.361 4.214 50 10 JIGE O=C(COc1ccc(C(=O)NC2CCCCC2)cc1)NN=Cc1ccc(-c2ccc(C(=O)O)cc2)o1 2321697694 DXVDTVBNPQFDKJ-UHFFFAOYSA-N 489.528 4.236 50 10 JIGE CCCOc1ccc(C=NNC(=O)c2cccn(Cc3cccc(Cl)c3)c2=O)cc1OC 2323652026 GBRIADDVDPTCAE-UHFFFAOYSA-N 453.926 4.111 50 10 JIGE CC(C)(C)OC(=O)NCC[C@@H]1CCN(C(=O)[C@H]2C[C@@H](Br)C2)[C@H](C(F)(F)F)C1 2362758806 YZFLAWMXSMDDQN-MQYQWHSLSA-N 457.331 4.244 50 10 JIGE Clc1ccc(I)cc1CN1C[C@H](CBr)OC2(CCC2)C1 2380520696 CLXMFQMSEAQIHU-ZDUSSCGKSA-N 470.576 4.463 50 10 JIGE Cc1ccc(C(=O)NNC(=O)c2ccc(OC(C)C)c(Br)c2)cc1Br 14658884 MSDYXBKOCKQQPN-UHFFFAOYSA-N 470.161 4.382 50 10 JIGE CC1=C(C(=O)N/N=C/c2cccc(Br)c2)[C@@H](c2ccccc2Cl)NC(=S)N1 59384910 DEGHEYHGAPOHSS-MMXTWKRJSA-N 463.788 4.046 50 10 JIGE C=CCNC(=O)/C(C#N)=C1\S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccc(OC)cc1 101241660 YHFATWKQCZCVTD-SEDGDDRASA-N 453.951 4.077 50 10 JIGE N#C/C(=C/NCCc1ccccc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216488931 DTXZKCDERRPBDI-VYIQYICTSA-N 450.586 4.160 50 10 JIGE O=S(=O)(NC[C@H]1CCC[C@H](Br)C1)c1cc(Br)ccc1Br 227805264 OGMYPZWDTSUOOM-UWVGGRQHSA-N 490.055 4.444 50 10 JIGE C[C@H](Br)c1cn(-c2cc(Br)ccc2I)nn1 300885373 AOTDAVFTCGPWHQ-LURJTMIESA-N 456.907 4.090 50 10 JIGE BrCCCc1cc(I)ccc1I 306719752 LSOMXEJOHRZXSP-UHFFFAOYSA-N 450.883 4.223 50 10 JIGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2cc(F)ccc2O)C1 382698734 MOUPEQIGDINYRC-RHSMWYFYSA-N 455.267 4.319 50 10 JIGE COc1cc(C=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)ccc1OCc1ccc(C(=O)O)cc1 1083995701 MQJBIBFFPUVUOE-UHFFFAOYSA-N 496.335 4.255 50 10 JIGE C#C[C@@H](NC(=O)NNc1cc(OC)ccc1Br)c1ccc(Br)cc1 1478897477 ZSKCTJSGWANDJH-OAHLLOKOSA-N 453.134 4.221 50 10 JIGE Cc1c(C(=O)NNc2ccccc2)oc2c1C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772748708 SREXNTKEVWEQBM-UHFFFAOYSA-N 481.896 4.377 50 10 JIGE C[C@@H](C(=O)N/N=C/c1ccccc1Br)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1860774059 LIBBNDKHCFWSFU-UNSMVDFFSA-N 473.396 4.057 50 10 JIGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@@H](c2ccc(O)cc2O)C(C#N)=C(N)O3)cc1 1865681373 LMWMGSIBGKDVPU-QHCPKHFHSA-N 466.497 4.486 50 10 JIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(C)cc2)cc(Br)c1O 1865689379 QWSPFQAAKRGASI-HXUWFJFHSA-N 481.350 4.243 50 10 JIGE CC(C)(C)OC(=O)N[C@@H](CBr)[C@H]1COC2(CCN(C(=O)OC(C)(C)C)CC2)C1 1885094470 VCIXMIIOBGBELX-CABCVRRESA-N 463.413 4.081 50 10 JIGE CN(C[C@H](Br)COCc1ccccc1)C(=O)c1ccc(Br)cc1O 1916386138 JUAGGFOPUFYWRQ-HNNXBMFYSA-N 457.162 4.207 50 10 JIGE O=C(NC[C@H](Br)CBr)c1cccc(Br)c1Br 1981565229 LQJJGTFBJVZVBX-ZCFIWIBFSA-N 478.804 4.100 50 10 JIGE COc1ccc(CNCCSSCCNC(=O)OC(C)(C)C)cc1Br 2061264139 MIMGINPIOAUSRD-UHFFFAOYSA-N 451.452 4.453 50 10 JIGE O=S(=O)(c1ccc(CBr)cc1Br)N1CC=C(Br)CC1 2123268017 JTRCKUOSGBDHOG-UHFFFAOYSA-N 474.012 4.017 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N(C)C2(CBr)CC2)cc1Br 2128182940 CEQINGJEGIZSQV-UHFFFAOYSA-N 476.028 4.068 50 10 JIGE O=C(c1ccc(Br)cc1I)N(CCCl)CC(F)(F)F 2142285602 RPBPAPOUDGRDHU-UHFFFAOYSA-N 470.454 4.297 50 10 JIGE CCCN1CC[C@@H]([C@H](Cl)c2cc(Br)ccc2I)S1(=O)=O 2145770147 LKMAHXAGNDTEKO-QWHCGFSZSA-N 492.604 4.148 50 10 JIGE Cn1cc(CCC(CBr)(CBr)c2ccc(Br)cc2)nn1 2164344138 KSKWRMWSUGAYFB-UHFFFAOYSA-N 466.015 4.238 50 10 JIGE CC[C@@H]1CN(S(=O)(=O)c2ccc(CBr)c(C)c2)CCN1Cc1ccccc1 2179784638 BSIYOALBPNRDDD-HXUWFJFHSA-N 451.430 4.175 50 10 JIGE Cc1csc(CBr)c1S(=O)(=O)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 2179825086 CJVCOSTYZGBHET-FQEVSTJZSA-N 469.470 4.238 50 10 JIGE CN(C[C@@]1(Br)CC1(F)F)S(=O)(=O)c1cc(CCl)sc1Br 2202538641 VWOOIOBBPSPCKM-VIFPVBQESA-N 473.586 4.043 50 10 JIGE COc1cc(CBr)cc(OC)c1OC[C@@H]1CC1(Br)Br 2224802455 VMVKUHSQKMWIFM-VIFPVBQESA-N 458.972 4.484 50 10 JIGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCCCOC)cc1C 2296730236 LBXNGHHILFADDZ-UHFFFAOYSA-N 456.546 4.472 50 10 JIGE CCCCCCOc1ccccc1C(=O)C=NNC(=O)c1cc(-c2cccs2)nc(O)n1 2323701075 HSBGTMZIJSNIEX-UHFFFAOYSA-N 452.536 4.468 50 10 JIGE CCCOc1ccc([C@@H](CC(=O)O)NC(=O)C(C#N)=Cc2ccc(Br)cc2)cc1OC 2329657431 SMJSXDLZSYSFFZ-LJQANCHMSA-N 487.350 4.486 50 10 JIGE O=C(N[C@@H]1C[C@@H]2C[C@H]1C[C@H]2Cl)c1cc(I)ccc1Br 2330914679 KVAKKPHNUJHYBG-GYBADROVSA-N 454.533 4.189 50 10 JIGE COc1ccc(CCN2C[C@H](C(O)=C(C#N)c3nc(C(C)(C)C)cs3)CC2=O)cc1OC 2331307140 JWJAWFAKBWXRPR-MRXNPFEDSA-N 455.580 4.342 50 10 JIGE Clc1ccc(CN2CCC[C@@H](OCCBr)C2)cc1I 2337223464 MRCAKKYSOCSQGD-GFCCVEGCSA-N 458.565 4.321 50 10 JIGE CN(Cc1c(Br)c(Br)nn1C)c1ccc(CBr)cc1 2338988609 CAQOVVRFTYKUDT-UHFFFAOYSA-N 451.988 4.476 50 10 JIGE CN(CC[C@@H](Br)c1cccs1)C(=O)c1cc(I)sn1 2340658543 ZUPKSVACOWXXJG-MRVPVSSYSA-N 471.183 4.408 50 10 JIGE CCCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2cc(Cl)cc(Cl)c2)cc1 10506103 JYGXQDDXBJDRCJ-UHFFFAOYSA-N 467.378 4.071 50 10 JIGE CC(C)CCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(Cl)cc1Cl 14034383 GPWFETRFAAHPQP-UHFFFAOYSA-N 454.379 4.368 50 10 JIGE C/C(C=NNC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1)=C/c1ccccc1 252590137 APKIAFPJVOZLRK-KYCKZAGLSA-N 453.498 4.392 50 10 JIGE C=CCOc1c(I)cc(C=NNC(=O)c2ccc(Cl)cc2)cc1OC 252620069 LWZUYXKRSAXIDI-UHFFFAOYSA-N 470.694 4.282 50 10 JIGE CO[C@@H]1[C@H](Br)C[C@H]1Oc1c(I)cc(Cl)c2cccnc12 252871313 ULDNSLRNRIPDMQ-XTWCZFFVSA-N 468.516 4.422 50 10 JIGE C/C(=C(\C#N)P(=NN=Nc1ccccc1)(N1CCOCC1)N1CCOCC1)N1CCCC1 263631670 SNONBDNAVMNJKT-BOMYHECUSA-N 457.519 4.232 50 10 JIGE CC(C)(CNC(=O)c1cc(Br)c(Br)s1)OCCBr 385463396 AEPRDIAOVXZYRH-UHFFFAOYSA-N 464.017 4.193 50 10 JIGE CCCOc1c(Br)cc(Br)cc1/C=C(/C#N)C(=O)NCCCOC 915848809 CIRHOOHIUPWPKZ-JYRVWZFOSA-N 460.166 4.060 50 10 JIGE CC(C)c1ccc([C@@H](NC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)c2cccs2)cc1 916205371 GOXYUIPJUGKTKD-OAQYLSRUSA-N 471.604 4.009 50 10 JIGE COc1cccc(N(CC(=O)NN=Cc2c(F)cccc2Cl)S(=O)(=O)c2ccc(C)cc2)c1 1083964255 RJBBPEZUPTYXPJ-UHFFFAOYSA-N 489.956 4.142 50 10 JIGE O=C(COc1ccccc1)NN=C1C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21 1084534122 FASYEDVVHNSGQP-UHFFFAOYSA-N 454.313 4.440 50 10 JIGE CC(=O)c1cccc(OCCCC(=O)NNc2cc(C(F)(F)F)nc(-c3ccccn3)n2)c1 1160812571 JCYNGFMOTBHRMY-UHFFFAOYSA-N 459.428 4.062 50 10 JIGE C#C[C@H](NC(=O)/C(C#N)=C/c1cc(C)n([C@H](C)COC)c1C)c1ccc(Br)cc1 1436651194 LXUVJDYPRZSVJQ-NHDBHLLOSA-N 454.368 4.473 50 10 JIGE COc1ccc(OC)c(NC(=O)COc2cccnc2NC(=O)Nc2ccc(SC#N)cc2)c1 1858831564 XTBLATJAAJAKDN-UHFFFAOYSA-N 479.518 4.333 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Br)cc2)[C@@H]1c1ccc[nH]1 1865709881 JIFSEIICHKDLOP-ZDUSSCGKSA-N 450.218 4.200 50 10 JIGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@H]1C[C@@H]1Br 1883562420 BIGQXEYBSUFZDK-YDFBLROQSA-N 471.395 4.449 50 10 JIGE O=C(N[C@H](CCBr)C(F)F)c1ccc(I)c(Br)c1 1918519883 DZLQBEBTDIISAR-SECBINFHSA-N 496.915 4.202 50 10 JIGE O=C(NC1(CCBr)CCC1)c1cc(Br)ccc1I 2029625299 ITVBASBCRHCIRN-UHFFFAOYSA-N 486.973 4.491 50 10 JIGE C[C@@H]1CC[C@H](Br)CN1C(=O)c1ccc(Br)cc1I 2086151561 PMBSBNXZBWQBDP-SCZZXKLOSA-N 486.973 4.442 50 10 JIGE CCN(CC)S(=O)(=O)C[C@H](Cl)c1cc(Br)ccc1I 2089390802 DZCTUFOSQFZPMA-NSHDSACASA-N 480.593 4.005 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H]2C[C@H](C[C@H]2Br)C1 2107286897 VLTPHGXSYXWZOJ-DVVUODLYSA-N 498.984 4.299 50 10 JIGE O=C(c1csc(I)c1)N1CC[C@@H]2CC[C@H](Br)C[C@@H]2C1 2139239077 VBUZLIMBIFPNIU-UMNHJUIQSA-N 454.171 4.378 50 10 JIGE FC(F)(F)c1cnc(N2C[C@@H]3CC[C@@H](Br)[C@H]3C2)c(I)c1 2144219552 FWOLJPJLLCOLTC-UJNFCWOMSA-N 461.063 4.315 50 10 JIGE CN(C[C@H]1C[C@H](Br)C1)C(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@]1(C)C(F)(F)F 2196914187 KVYYTASAOHQLQH-ZFRZLUBXSA-N 457.331 4.054 50 10 JIGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OC(C)=O 2295172600 IRPWWDUFSPXZQZ-UHFFFAOYSA-N 476.270 4.079 50 10 JIGE COCCN(C[C@H](C)Br)C(=O)Cc1cc(Br)cc(Br)c1 2295313585 LVHVJNXEOYQSIY-JTQLQIEISA-N 472.015 4.013 50 10 JIGE CC(C)(C)OC(=O)N1C[C@H](I)[C@H](O[C@@H]2CCOc3ccc(F)cc32)C1 2317049838 DKSNASVCYIHIGS-NUEKZKHPSA-N 463.287 4.089 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@H]2CC[C@@H](Br)[C@H]2C1 2328657081 QZQHSPZTESMJHK-YDEJPDAXSA-N 498.984 4.299 50 10 JIGE N#CC(=Cc1cccc(Br)c1)C(=O)Nc1ccc(I)cc1C(=O)O 2329696590 WRSRUEIFBPROEV-UHFFFAOYSA-N 497.086 4.298 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@H]2C[C@H](CBr)[C@H]2C1 2330497213 UHDJDBDKXJJUNG-GMTAPVOTSA-N 498.984 4.157 50 10 JIGE O=C(N[C@@H](CBr)c1cscn1)c1ccc(Cl)cc1I 2340051288 AJGPKYJPZJRVGQ-JTQLQIEISA-N 471.545 4.267 50 10 JIGE CCOc1ccc(NC(=O)/C(C#N)=C\c2cn(CC(=O)NCc3ccco3)c3ccccc23)cc1 33344879 VUDLREFYKFWBFY-RGEXLXHISA-N 468.513 4.495 50 10 JIGE Cc1cc(OCCn2cc(/C=C(/C#N)C(=O)N3CCC(C(N)=O)CC3)c3ccccc32)ccc1Cl 33932587 FMIMHXMZPUELLS-HKWRFOASSA-N 490.991 4.313 50 10 JIGE Cc1cc(Oc2ncnc(NNC(=O)Cc3ccc([N+](=O)[O-])cc3)c2[N+](=O)[O-])cc(C)c1Cl 40659234 MQNTVCZEKSLHJQ-UHFFFAOYSA-N 472.845 4.041 50 10 JIGE Cc1c(C(=O)Nc2ccccc2F)oc2c1/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 40812156 LTLAZPJORZZQNI-NLRVBDNBSA-N 450.426 4.358 50 10 JIGE Cc1c(-c2ccccc2)sc2ncn(CC(=O)C(C#N)=C3N(C)c4ccccc4N3C)c(=O)c12 43734809 HPWCYEHAZUQHKY-UHFFFAOYSA-N 467.554 4.324 50 10 JIGE CC(C)C(=O)NNC(=O)[C@H](C)Sc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1 59844847 AIDADPBYHXPXGF-SFHVURJKSA-N 488.617 4.317 50 10 JIGE O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N/N=C1\CC(=O)c2ccccc21 102934029 YLOVEKOWGFSLBQ-YYADALCUSA-N 453.527 4.133 50 10 JIGE O=S(=O)(N[C@H]1CCCC[C@@H]1Br)c1cc(Br)ccc1Br 136956573 OGOFDFLFKMKOJN-ONGXEEELSA-N 476.028 4.196 50 10 JIGE COc1ccccc1/C=C(/C#N)C(=O)Oc1ccc2cc(C(=O)NC3CCCCC3)c(=O)oc2c1 206545256 UAJBUDLFWBLRMM-UYRXBGFRSA-N 472.497 4.377 50 10 JIGE CCn1c2ccccc2c2cc(C=NNC(=O)CNC(=O)COc3ccc(Cl)cc3)ccc21 252619879 LTNKTNSEEGRWKM-UHFFFAOYSA-N 462.937 4.113 50 10 JIGE O=C(NN=Cc1ccccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc2ccccc12 254401705 YAIIEHLXFUBSAI-UHFFFAOYSA-N 475.482 4.280 50 10 JIGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc(OC)c(OC)c3)cc2OC)cc1 254403537 CJXGWHCSPLCRGB-UHFFFAOYSA-N 478.501 4.094 50 10 JIGE CC1CCN(c2ccc(NN(CCNC=S)C(=O)c3ccc(F)c(F)c3F)cc2)CC1 586421339 QFBZZVJGSXMTDD-UHFFFAOYSA-N 450.530 4.356 50 10 JIGE COc1ccc(C[C@@H](C)N(C)C(=O)NNC(=O)c2ccc(Br)cc2Cl)cc1 1251630505 XSSJWCNKTSWMPD-GFCCVEGCSA-N 454.752 4.029 50 10 JIGE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1cc(OC)ccc1OC)C(C#N)=C(N)O2 1865692007 HFCRVEDRFCJYQP-OAQYLSRUSA-N 450.926 4.383 50 10 JIGE CCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1cc(OC)c(OC)cc1OC)C(C#N)=C(N)O2 1865711701 FYYDQDYICXVFKM-QHCPKHFHSA-N 460.534 4.046 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCNC[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1903223931 ALTKAMTURQSQQA-MRXNPFEDSA-N 461.694 4.272 50 10 JIGE C[C@H]1CN(Cc2ccccc2)C[C@H](C)N(S(=O)(=O)c2cc(CCl)oc2Br)C1 1921420280 UMCMSBKDIXJBNJ-GJZGRUSLSA-N 475.836 4.312 50 10 JIGE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)C[C@H](CBr)C1CCC1 1959576367 TVDUWLBJJXZJAT-KRWDZBQOSA-N 478.472 4.149 50 10 JIGE CC1(C)[C@@H](CBr)OCCN1C(=O)c1cc(Br)c(Br)s1 2103389344 LXLFCPAOXYNOBY-SECBINFHSA-N 476.028 4.288 50 10 JIGE Brc1cccc(CN2CC3(C2)OCCC[C@H]3Br)c1Br 2103421565 BZDKOJHCKCHEOF-GFCCVEGCSA-N 454.000 4.340 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CC[C@@H](Br)[C@@H]1C1CC1 2130611531 LWNFCKHARBUCLG-OLZOCXBDSA-N 498.984 4.442 50 10 JIGE CCCN1CC[C@@H]([C@H](Br)c2cc(Br)cc(Br)c2)S1(=O)=O 2145770067 RLLKQAUQVVFFOZ-QWHCGFSZSA-N 490.055 4.462 50 10 JIGE C[C@H]1[C@@H](C)N(Cc2ccccc2)[C@H](C)CN1S(=O)(=O)C1CCC(CBr)CC1 2179829137 XOCJNXPJJDUZOU-NYKHLBABSA-N 457.478 4.253 50 10 JIGE O=S(=O)(c1cc(Cl)cc(CBr)c1F)N1CCCN(Cc2ccccc2)CC1 2179861604 KADJDWKQVNZOSD-UHFFFAOYSA-N 475.811 4.271 50 10 JIGE CN([C@@H]1CC[C@H]1OCc1ccccc1)S(=O)(=O)c1cc(CBr)cc(F)c1F 2179862611 YSFNBAUTJRVTNG-IAGOWNOFSA-N 460.340 4.228 50 10 JIGE O=C(N[C@H](CBr)C[C@@H]1CCOC1)c1cc(Br)cc(Br)c1 2195480202 WTEXPMRJQXKSMD-ZANVPECISA-N 469.999 4.132 50 10 JIGE C[C@@]12CC[C@@](CBr)(C1)N(S(=O)(=O)c1cc(Cl)c(Br)s1)C2 2199513113 SFGXCLQLHLEKLA-NEPJUHHUSA-N 463.644 4.492 50 10 JIGE O=C(NC[C@H]1CC[C@H](CBr)CO1)c1ccc(Br)cc1Br 2279404432 CLLPDOBZUQJZKX-MWLCHTKSSA-N 469.999 4.132 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N1CC[C@@H]2[C@H](CBr)[C@@H]2C1 2295308751 AJCIPNISIOEMMW-HZSPNIEDSA-N 466.011 4.244 50 10 JIGE CCOc1ccccc1OCC(=O)Oc1ccc(C=C(C#N)C(=O)NCc2ccccc2)cc1OC 2314736962 DOGGCROQDJRJRX-UHFFFAOYSA-N 486.524 4.302 50 10 JIGE COc1ccc([C@@H](Br)c2c(Br)ncn2C)cc1I 2315594114 QIFNBVBOZUPGMJ-SNVBAGLBSA-N 485.945 4.280 50 10 JIGE Cc1ccccc1OCC(=O)NN=Cc1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 13140154 ZLZJYILHXUUOCG-UHFFFAOYSA-N 450.407 4.133 50 10 JIGE aggregator CCCOc1ccc(/C=N\NC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)cc1OC 33343542 ARULQWAHUCBRNB-VYYCAZPPSA-N 476.558 4.073 50 10 JIGE COc1ccc(C/C(C)=N\NC(=O)c2cccc(S(=O)(=O)Nc3ccc(Cl)cc3)c2)cc1 33777105 VPDAIZCVBOBHMB-XYGWBWBKSA-N 471.966 4.498 50 10 JIGE Cc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc([N+](=O)[O-])cc1 38654537 OZBQKXUQESSHCX-XMMPIXPASA-N 457.442 4.106 50 10 JIGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4)ccc32)cc1 38658038 PDRJHYIHNZTHFT-SANMLTNESA-N 454.482 4.454 50 10 JIGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)cc1OC 38658541 LFYGSKMGDQSNEA-MQNRADLISA-N 490.487 4.434 50 10 JIGE Cc1cc(OCC(=O)NNC(=O)c2ccc(Br)cc2Br)cc(C)c1Cl 40844460 MEXMSYBZQZQYHA-UHFFFAOYSA-N 490.579 4.322 50 10 JIGE COc1cc(/C=N/NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc(Br)c1O 40960270 JFXNVJMLIZIKHS-JZKLSJHFSA-N 455.736 4.351 50 10 JIGE Cc1oc(COc2c(Br)cc(Br)cc2Br)cc1C(=O)NN 110555177 MKQDEXYORAIBSS-UHFFFAOYSA-N 482.954 4.058 50 10 JIGE O=S(=O)(NC[C@@H]1CCC[C@@H]1Br)c1cc(Br)ccc1Br 136559895 BNGVFZRIZDAVQB-WPRPVWTQSA-N 476.028 4.054 50 10 JIGE CCOC(=O)c1cnn(-c2cc(C)c3cccc(OC)c3n2)c1NC(=O)[C@H](Br)CC 170508869 PYSBOGGORNYJPU-OAHLLOKOSA-N 475.343 4.026 50 10 JIGE COc1cc(/C=C(/C#N)C(=O)N2CCOCC2)ccc1OC(=O)c1ccc(-c2ccccc2)cc1 207176463 QCCNDIFKYRHEIO-ULJHMMPZSA-N 468.509 4.347 50 10 JIGE CCOc1cc(C=NNC(=O)c2ccc(OC)cc2)cc(Cl)c1OS(=O)(=O)c1ccccc1 252641797 ZFORSOCHEGJIEE-UHFFFAOYSA-N 488.949 4.279 50 10 JIGE Cc1c(C)c(C)c(S(=O)(=O)N2CCC(C(=O)NN=C/C=C\c3ccccc3)CC2)c(C)c1C 254795889 RLTDACOLZYVYJS-UGAAYADXSA-N 467.635 4.445 50 10 JIGE CN([C@@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(CCl)oc1Br 388411798 OTFYXNLNCVVULU-OAHLLOKOSA-N 461.809 4.066 50 10 JIGE O=S(=O)(c1cc(Cl)c(Br)s1)N1C[C@H]2C[C@H](Br)CC[C@H]2C1 398836267 NFEXMDNHJPFALB-DJLDLDEBSA-N 463.644 4.348 50 10 JIGE CC(C)(C)[Si](OC[C@@H]1[C@@H]2CC(=O)O[C@H]2C[C@H]1O[C@@H]1CCCCO1)(c1ccccc1)c1ccccc1 575627094 KKUBBAJCNWPXGW-ODJLISDOSA-N 494.704 4.426 50 10 JIGE in-vitro O=S(=O)(N[C@H](CCl)CC(F)(F)F)c1cc(Br)ccc1Br 717808246 LOUGTLZJIBMSOG-ZETCQYMHSA-N 459.509 4.050 50 10 JIGE CN(C)CCCNC(=O)[C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725237409 GDHRXZZBVWNWOZ-SFHVURJKSA-N 461.937 4.148 50 10 JIGE N#CCCn1cc(/C=C(\C#N)C(=O)NCCCNC(=O)c2cccs2)c(-c2ccc(Cl)cc2)n1 748656369 GUGVMFNCOUIPJN-NBVRZTHBSA-N 492.992 4.022 50 10 JIGE C[C@H](OC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1)C(=O)N[C@H](C)c1ccc(F)cc1 761409165 CWSZHNZUDVGQFR-LFNFYPSMSA-N 485.519 4.319 50 10 JIGE COc1cc(C(=O)NN=Cc2cc([N+](=O)[O-])ccc2N2C[C@@]3(C)C[C@H]2CC3(C)C)cc(OC)c1OC 1084056474 SWQARCBVKYUQQS-NIYFSFCBSA-N 496.564 4.399 50 10 JIGE COc1ccc(/C=C\C(=NNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c2ccc(OC)cc2)cc1 1084091425 MMIHRMYFKPKBPN-NRUYDQBBSA-N 476.445 4.368 50 10 JIGE CCn1c(NNC(=O)/C=C/c2c(C)nn(Cc3ccc(C)cc3)c2Cl)nc2ccccc2c1=O 1087485818 KHLLVPYPEIGZHT-BUHFOSPRSA-N 476.968 4.088 50 10 JIGE COC(=O)c1ccccc1N(C)C(=O)c1oc2c(c1C)C(=NNC(=O)c1ccccc1)CCC2 1772745078 RPNDIMJIKVVFNL-UHFFFAOYSA-N 459.502 4.122 50 10 JIGE CCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865695582 DYVGIKSQJGNLKC-IBGZPJMESA-N 467.323 4.130 50 10 JIGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@@H](c2cccn2C)C(C#N)=C(N)O3)cc1 1865699654 ZEJHABNCENGJIS-JOCHJYFZSA-N 455.493 4.303 50 10 JIGE Cc1ccc(CCCC(=O)NNC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)c(C)c1 1865852268 QPUZZWSFFMXZIH-UHFFFAOYSA-N 488.613 4.221 50 10 JIGE CCC[C@H](NC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C)C(=O)Nc1ccc(SC#N)cc1 1867204447 YJNIFKYEGDQOAI-IBGZPJMESA-N 450.564 4.051 50 10 JIGE CCN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(CCl)oc1Br 1915019128 SHCBKXLQXOCCND-OAHLLOKOSA-N 461.809 4.066 50 10 JIGE CN(C[C@H](Br)COCc1ccccc1)S(=O)(=O)c1cccc(Br)c1 1916360179 GVICOIFAVVGVQD-INIZCTEOSA-N 477.218 4.050 50 10 JIGE Clc1cc(I)c(OCCI)c2ncccc12 1939434179 DWIPEUVXEXLQFU-UHFFFAOYSA-N 459.452 4.307 50 10 JIGE CC(C)(C)OC(=O)N1CCN(C[C@H](CBr)C2CC2)CCN(C(=O)OC(C)(C)C)CC1 1966467262 WKSOIDBCEWUFHQ-SFHVURJKSA-N 490.483 4.197 50 10 JIGE Cc1cc(C(=O)N(C)C[C@H](Cl)COCc2ccccc2)ccc1I 2026130230 CYPSFWBPTFMTIH-KRWDZBQOSA-N 457.739 4.496 50 10 JIGE C[C@H]1CN(S(=O)(=O)c2cc(CCl)oc2Br)[C@@H](C)CN1Cc1ccccc1 2095830362 CTXMVPBDNKMPSW-KBPBESRZSA-N 461.809 4.064 50 10 JIGE Clc1cc(CN2CC3(C2)OCCC[C@H]3Br)ccc1I 2142943814 OVKXFEFCDQCWRA-CYBMUJFWSA-N 456.549 4.073 50 10 JIGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1CC=CC[C@@H]1CBr 2176378732 WDYSPECNBYDPKU-SECBINFHSA-N 464.006 4.470 50 10 JIGE O=C(N[C@@H](CBr)C[C@H]1CCOC1)c1cccc(Br)c1Br 2195492781 MMDASHFPGNBPAW-NXEZZACHSA-N 469.999 4.132 50 10 JIGE COc1ccc(CCNC(=O)C(C#N)=Cc2ccc(OC(=O)c3ccccc3)c(OC)c2)cc1OC 2295672390 UCVKJYYTMQSLSL-UHFFFAOYSA-N 486.524 4.197 50 10 JIGE CCN(CC)c1ccc2cc(C(N)=O)c(=NNC(=O)c3ccc(-c4ccccc4)cc3)oc2c1 2297731453 XEBXIHYLNQLARU-UHFFFAOYSA-N 454.530 4.291 50 10 JIGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)C=Cc1cccc([N+](=O)[O-])c1 2314736948 CYTVEONDWABCLW-UHFFFAOYSA-N 483.480 4.446 50 10 JIGE Clc1ccc(CN2C[C@H]3OCCC[C@]3(CBr)C2)cc1I 2362376154 RIEKIDSDOWUQCO-CABCVRRESA-N 470.576 4.321 50 10 JIGE Cn1cnc(Br)c1[C@H](Br)c1cc2nc(O)[nH]c2cc1Br 2362431642 GWNFAOSKBGEFCC-SECBINFHSA-N 464.943 4.011 50 10 JIGE O=C(N[C@H](CCBr)COCc1ccccc1)c1c(F)c(F)c(F)c(F)c1F 2369432715 GKXQAOIZGRYHFS-LLVKDONJSA-N 452.217 4.482 50 10 JIGE O=C(c1ccc(I)cc1)N1CCC[C@@H](Br)[C@@H]1C(F)(F)F 2370236756 AUJAZLMXNUMVOU-GHMZBOCLSA-N 462.047 4.222 50 10 JIGE Clc1ccc(I)cc1CN1C[C@@H](Br)C2(CCOCC2)C1 2380510671 BDGPQFZDCJYUFD-CQSZACIVSA-N 470.576 4.321 50 10 JIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)cc(OC)c1OC(=O)c1ccccc1 3014087 HTWUKHJTNDGCFV-JOCHJYFZSA-N 496.475 4.248 50 10 JIGE Cc1ccc(O[C@H](C)C(=O)NNC(=S)NC(=O)c2cccc(OCCc3ccccc3)c2)cc1C 10154445 VXUMJOMNKRFMIU-HXUWFJFHSA-N 491.613 4.028 50 10 JIGE CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1cn(C)c2ccccc12 10736518 OSFFDKMCQBYTOB-LJQANCHMSA-N 475.376 4.091 50 10 JIGE COCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2C)C1=O 38606323 GISIMLHPKLFBJL-PCLIKHOPSA-N 496.567 4.485 50 10 JIGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)cc1OC 38658535 MUHOLUCQZPNTKT-BZQUYTCOSA-N 490.487 4.434 50 10 JIGE CC[C@@H](C)NC(=O)c1oc2c(c1C)/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 40823170 LLUPMRMSGGTJSP-JFYBCWRYSA-N 459.362 4.106 50 10 JIGE CCOC(=O)/C(C#N)=C1/S[C@H](Cc2ccccc2)C(=O)N1c1ccc(Br)cc1 102974638 WZJWIBPKBYFVKB-GMQRBVGNSA-N 457.349 4.438 50 10 JIGE CCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1 206309265 HPTRJVRXXJYUSM-MNDPQUGUSA-N 462.531 4.217 50 10 JIGE O=C(Cn1c(-c2ccccn2)nc2ccccc21)NN=Cc1ccccc1OC(=O)/C=C\c1ccco1 254500320 UWIJKEIBGBDNPS-KSGUEATISA-N 491.507 4.460 50 10 JIGE CCOc1cc(C(=O)NN=C2C(=O)N(CCC(C)C)c3ccccc32)cc(OCC)c1OCC 254698842 FRQQVSPPQPDFJH-UHFFFAOYSA-N 467.566 4.410 50 10 JIGE O=C(NNc1ccc(F)c(F)c1F)c1ccc(N2CCCCC2)c(S(=O)(=O)N2CCCCC2)c1 727759884 FRPRYLTZWLUYCC-UHFFFAOYSA-N 496.555 4.026 50 10 JIGE CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)NNC(=O)COc1cc(C)ccc1C(C)C)O[C@H](C)C2 730468632 CSKVKMOFMRGHBK-PIPMEXSNSA-N 466.578 4.170 50 10 JIGE CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)NNC(=O)c1ccc(COc3ccccc3)o1)O[C@@H](C)C2 730516642 BOFQJKZRHHJGLJ-XUEUYAKLSA-N 476.529 4.145 50 10 JIGE O=C(CSc1nnc(CCc2ccccc2)n1-c1ccccc1)NN=Cc1ccc(F)cc1 1084177247 HJUVFSXZVNPEAR-UHFFFAOYSA-N 459.550 4.434 50 10 JIGE COc1cccc(C(=O)NN=C2C(=O)N(Cc3ccc(F)cc3)c3ccc(Br)cc32)c1 1084296140 DQUGWEXHJIFULL-UHFFFAOYSA-N 482.309 4.278 50 10 JIGE O=C(Cn1nnc(-c2ccccc2Cl)n1)NN=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 1084625424 UWPSDHNUOZQSEI-UHFFFAOYSA-N 474.830 4.423 50 10 JIGE CC(=NNC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)C(C)(C)C 1084642608 CQMVJSTXQRNAFJ-UHFFFAOYSA-N 466.401 4.183 50 10 JIGE O=C(NN=C1c2ccccc2C[C@H]1NC(=O)c1ccccc1)Nc1ccc(OC(F)(F)F)cc1 1088705214 BRZXSPLBJCMERI-HXUWFJFHSA-N 468.435 4.466 50 10 JIGE O=S(=O)(N1CCC(CCBr)CC1)N(Cc1ccccc1)Cc1ccccc1 1882230007 PHHUCBCEIHAVBE-UHFFFAOYSA-N 451.430 4.431 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@H](Br)CC2(CC2)C1 1926402531 CQLYJYBSZUETDH-SNVBAGLBSA-N 488.039 4.150 50 10 JIGE Cc1cc(C)nc(-n2nc(CBr)c(I)c2C(F)(F)F)c1 2078915932 MUBQOPPKOFGNPC-UHFFFAOYSA-N 460.035 4.402 50 10 JIGE O=C(N[C@@H]1CC[C@@H](CBr)C1)c1ccc(Br)cc1I 2086139250 MILKDZHQHYMZRV-PSASIEDQSA-N 486.973 4.347 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@H]2[C@@H](Cl)CC[C@H]2C1 2087933026 PRWFLJDAPUMHPO-UMNHJUIQSA-N 454.533 4.143 50 10 JIGE CC(C)(C)[C@@H](CBr)CNS(=O)(=O)c1cc(Cl)c(Br)s1 2090198149 DCQVZDJEPWRZDH-ZETCQYMHSA-N 453.649 4.500 50 10 JIGE CN(C[C@H]1CCCCN1Cc1ccccc1)S(=O)(=O)c1cc(CBr)cs1 2123232022 LJDGCQLWNDEBRO-GOSISDBHSA-N 457.459 4.318 50 10 JIGE O=C(Cc1ccccc1I)NC1(CCBr)CCSCC1 2143873469 RPQUUUWFMCZTOF-UHFFFAOYSA-N 468.198 4.001 50 10 JIGE O=S(=O)([C@H]1C[C@H](OCc2ccccc2)C1)N1CCC[C@]2(CBr)CCCC[C@@H]12 2165236727 BBWCZNYSVLWHMN-NCYKPQTJSA-N 456.446 4.484 50 10 JIGE CC(C)(C)OC(=O)NC[C@@H](NC(=O)[C@@H](Br)C1CCCC1)C(F)(F)C(F)(F)F 2167049848 HJUGMMQYUCMLCW-MNOVXSKESA-N 467.273 4.147 50 10 JIGE Cc1c(CBr)cccc1S(=O)(=O)N(C)C1CCN(Cc2ccccc2)CC1 2179793482 UXWOPJSGXHKMJE-UHFFFAOYSA-N 451.430 4.175 50 10 JIGE FC(F)(F)c1cnc(N2CC[C@H](Br)[C@H]3CC[C@@H]32)c(I)c1 2190263621 LGHLYBVPHIDUKD-YWVKMMECSA-N 461.063 4.457 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N(C)C2CC(CBr)C2)cc1Br 2193573941 HAMASTRAKQOZHK-UHFFFAOYSA-N 490.055 4.314 50 10 JIGE CC[C@H]1[C@@H](Br)CCN1C(=O)c1ccc(I)c(Br)c1 2260370612 DPWFLIPLEDETEZ-CABZTGNLSA-N 486.973 4.442 50 10 JIGE C=CCNC(=O)C(C#N)=C1S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccc(OC)cc1 2314594054 YHFATWKQCZCVTD-FQEVSTJZSA-N 453.951 4.077 50 10 JIGE CCOc1ccc(C)cc1[C@H](C)NC(=O)C(C#N)=CN1CCN(c2cccc(Cl)c2)CC1 2325075956 SNYWOLJCGMLZKD-IBGZPJMESA-N 452.986 4.454 50 10 JIGE N#CC(=C(O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1nc(-c2cccs2)cs1 2331326884 QECTZHRUWCDDHM-UHFFFAOYSA-N 494.019 4.496 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1[C@H]2CC[C@H]1CC(Br)C2 2340056089 WDKYZROXWXCCPK-QWRGUYRKSA-N 454.533 4.475 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1CC[C@H](Br)C2(CC2)C1 2340062700 CFBXTPFLPBEQHX-LBPRGKRZSA-N 454.533 4.334 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)C[C@@H]2C[C@H](OCc3ccccc3)C[C@@H]21 2350100060 UOUANGUQDXUKJV-AZXNSQLWSA-N 496.695 4.321 50 10 JIGE O=C(c1cc(Br)c(Br)s1)N1CCCN(CCCBr)CC1 2366450200 IQUBAWYAAMQXAQ-UHFFFAOYSA-N 489.071 4.206 50 10 JIGE Cc1ccc(O[C@H](C)C(=O)NNC(=S)NC(=O)c2sc3ccccc3c2Cl)cc1C 10153820 HOORWTDMMMZGDL-CYBMUJFWSA-N 461.996 4.275 50 10 JIGE CCc1ccc(OCC(=O)NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)c(Br)c1 14031664 JERZPPXSIDMYPY-HNNXBMFYSA-N 471.351 4.158 50 10 JIGE CCc1ccc(OCC(=O)NNC(=O)[C@H](C)Oc2ccc(C(C)C)cc2)c(Br)c1 14040266 PXFQBUXQISJLMN-HNNXBMFYSA-N 463.372 4.129 50 10 JIGE CCOc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1Br 14770438 DDSBADAUXXZEFJ-UHFFFAOYSA-N 482.334 4.175 50 10 JIGE Cc1cccc2sc(Nc3ncnc(NNC(=O)c4cccc(Cl)c4)c3[N+](=O)[O-])nc12 40650414 ZIRYIQDVVRFDLT-UHFFFAOYSA-N 455.887 4.457 50 10 JIGE COc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)N4CCN(c5ccccc5)CC4)c(C)c32)cc1 40813797 IGWPSPKDJWTLOL-BYNJWEBRSA-N 486.572 4.029 50 10 JIGE CC(C)c1ccc(OCC(=O)NNC(=O)c2ccc(Br)cc2)c(Br)c1 100446031 SJCOTMVILIIUNS-UHFFFAOYSA-N 470.161 4.175 50 10 JIGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCCCn2ccnc2)cc1 102855532 UAQFNGPOPAQXQO-XLNRJJMWSA-N 466.545 4.248 50 10 JIGE O=S(=O)(NCCCCI)c1c(Cl)cc(Br)cc1Cl 236034466 DHZUSHVAGJOXLK-UHFFFAOYSA-N 486.984 4.249 50 10 JIGE CC(C)c1ccc(C=c2sc3n(c2=O)C(N)=C(C#N)[C@@H](c2ccc(C(C)C)cc2)C=3C#N)cc1 254748761 GHHMWLKYRKVOBE-RUZDIDTESA-N 466.610 4.108 50 10 JIGE Cc1ccc(C)c(OCC(=O)NN=Cc2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c2)c1C 254833691 UXKRYNPIAFOYMU-UHFFFAOYSA-N 461.474 4.268 50 10 JIGE Cc1cc(CCl)cc(S(=O)(=O)N2CCN(Cc3ccccc3)[C@H](C)C2)c1Br 396342776 CFNVBQDHXJFVHV-MRXNPFEDSA-N 471.848 4.391 50 10 JIGE O=C(Cl)c1cc(I)c(Br)cc1I 575686998 RFVDUVMRXMUUPQ-UHFFFAOYSA-N 471.257 4.037 50 10 JIGE Cn1cc(Br)c([C@H](Br)c2cc3nc(O)[nH]c3cc2Br)n1 693042329 CUWNLFLHRRWFGG-SNVBAGLBSA-N 464.943 4.011 50 10 JIGE Cn1cc([C@@H](Br)c2cc(Br)cc3c2OCC3)nc1Br 698451258 PUAPDMGFGUMOCF-NSHDSACASA-N 450.956 4.364 50 10 JIGE C[C@@H]1C[C@@H](Br)CCN1C(=O)c1ccc(I)c(Br)c1 721606023 VIEOARPHMBPAAQ-SCZZXKLOSA-N 486.973 4.442 50 10 JIGE CCOc1ccccc1N(CC(=O)NN=Cc1ccccc1Cl)S(=O)(=O)c1ccccc1 1084518517 ITFJHVLVKBJDDJ-UHFFFAOYSA-N 471.966 4.084 50 10 JIGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)cc1 1562264512 BPRWVQKCFXWMLD-OAHLLOKOSA-N 459.930 4.484 50 10 JIGE C=CCOc1ccccc1CNC(=O)NNC(=O)Nc1ccc(Br)cc1Cl 1669073325 PXVSOAWXHLGXKC-UHFFFAOYSA-N 453.724 4.203 50 10 JIGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC)cc(Br)c1O 1865688544 UTRKQAYKMALLNI-GFCCVEGCSA-N 473.249 4.007 50 10 JIGE CSCC[C@@H](NC(=O)c1nc(C(F)(F)F)n2ccccc12)C(=O)Nc1ccc(SC#N)cc1 1867289287 VWCWTVRGCXAFBZ-OAHLLOKOSA-N 493.536 4.416 50 10 JIGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)c1cnn(C)c1I 1915260301 WOXPDCQYSOUGBT-OAHLLOKOSA-N 490.183 4.087 50 10 JIGE CCOC(=O)Cc1cc(OC(F)(F)F)c(CBr)cc1I 2055272866 PBSJFEKVSGXMND-UHFFFAOYSA-N 467.019 4.190 50 10 JIGE O=C(N[C@@H](CBr)CC1CC1)c1ccc(Br)cc1I 2086146199 WNIOCZUARDTZQI-SNVBAGLBSA-N 486.973 4.347 50 10 JIGE CCN1CCC[C@H]([C@@H](Cl)c2cc(Br)sc2Br)S1(=O)=O 2089513343 DILSZSJRXNVJRH-SCZZXKLOSA-N 451.633 4.367 50 10 JIGE Clc1nc(N2CC[C@@H](N3CCN(Cc4ccccc4)CC3)C2)sc1CBr 2099099657 YWMVAFHSIHIVNF-MRXNPFEDSA-N 455.853 4.088 50 10 JIGE O=C(N[C@H]1C[C@H]2C[C@H]1C[C@@H]2Br)c1cc(Cl)ccc1I 2104409965 BREUYECUIWEGBU-YXPMNYRZSA-N 454.533 4.236 50 10 JIGE CC[C@@H]1CN(S(=O)(=O)c2c(C)csc2CBr)CCN1Cc1ccccc1 2123244568 XXJAPYGDXPIJAU-QGZVFWFLSA-N 457.459 4.237 50 10 JIGE COCCOCCN(Cc1ccccc1)S(=O)(=O)c1ccc(CCl)c(Br)c1 2152212963 JALUJUXCPIXHFI-UHFFFAOYSA-N 476.820 4.042 50 10 JIGE CN(CC1(Br)CC1)S(=O)(=O)c1cc(Cl)cc(CBr)c1Cl 2196938782 UMMPICAUTDQPPG-UHFFFAOYSA-N 466.022 4.436 50 10 JIGE C[C@@H](Br)CN1CCCN(Cc2ccc(I)c(Cl)c2)CC1 2208029855 NRFIRMVOLRSGDZ-GFCCVEGCSA-N 471.608 4.236 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@@H]2CC[C@H](C1)C2Br 2295312457 XPCWJCXULNAIKM-YWXMQNBFSA-N 466.011 4.386 50 10 JIGE Cc1ccccc1Oc1nc2c(C)cccn2c(=O)c1C=C(C#N)S(=O)(=O)c1ccccc1 2296542710 BZRCTAWOVLUPFS-UHFFFAOYSA-N 457.511 4.442 50 10 JIGE COc1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2ccccc2OC)cc1 2296720380 ZWQFSEUZPDWECF-UHFFFAOYSA-N 468.469 4.050 50 10 JIGE Cc1cccn2c(=O)c(C=C(C#N)S(=O)(=O)c3ccccc3)c(Oc3ccccc3F)nc12 2296720854 DSLQFTKULSSGMB-UHFFFAOYSA-N 461.474 4.273 50 10 JIGE CC(CC(=O)Nc1cccc2c1CCCC2)=NNC(=O)c1ccc(I)cc1 2297708858 XWDUEYYPESRPDO-UHFFFAOYSA-N 475.330 4.305 50 10 JIGE CC(=CC#N)N1C(=O)c2ccc(C(=O)Nc3ccc(-c4nc5ccccc5c(=O)o4)cc3)cc2C1=O 2313808610 UOFRYINWVWANSQ-UHFFFAOYSA-N 476.448 4.131 50 10 JIGE C[C@@H](C(=O)NN=Cc1ccccc1C(F)(F)F)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 2325903156 AVIWDCXAHYSZEE-OLZOCXBDSA-N 462.497 4.313 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@H]2C[C@@H](CCl)[C@H]2C1 2333350915 KIZVVDBVPPCYKD-YGOYTEALSA-N 454.533 4.001 50 10 JIGE Cc1nn(C)c(OCc2ccc(Cl)cc2I)c1CBr 2340110744 SXASBMJUVSXWHM-UHFFFAOYSA-N 455.521 4.460 50 10 JIGE COc1cc(/C=N/NC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2Cl)ccc1O 3658022 LZKRXLLCNPFBSO-JZQIKYGTSA-N 492.963 4.041 50 10 JIGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 13980361 QQRRKGDGXUGADW-CQSZACIVSA-N 466.365 4.452 50 10 JIGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=S)NC(=O)c2ccc(OCCC(C)C)cc2)c1 14037272 QLSQSMXPIFCSIR-UHFFFAOYSA-N 471.623 4.258 50 10 JIGE O=C/C(=C\Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1nc2cc(Cl)ccc2o1 16427847 JTSKWMFJWINMJS-ZRDIBKRKSA-N 460.924 4.390 50 10 JIGE CCn1c(-c2ccc(C(=O)NNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])s2)nc2ccccc21 35554051 OIGGRXHKJBZDEF-UHFFFAOYSA-N 452.452 4.358 50 10 JIGE O=C(CNc1cccc(C(F)(F)F)c1)NN=Cc1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1 254393560 ITLKFDWWEDKBPC-UHFFFAOYSA-N 486.406 4.395 50 10 JIGE CC(=NNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)c1ccc(Br)cc1 254473060 YBHRQTBMBKOGSR-UHFFFAOYSA-N 478.393 4.465 50 10 JIGE Cc1c(Br)cc(CCl)cc1S(=O)(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 312659773 HBDIKEMZUVGHNZ-GOSISDBHSA-N 471.848 4.391 50 10 JIGE C[C@@H]1CN(Cc2ccccc2)CCN1S(=O)(=O)c1cc(CCl)sc1Br 382655586 IXFNQJWGHBBCJK-CYBMUJFWSA-N 463.850 4.144 50 10 JIGE C[C@H]1[C@@H](C)N(S(=O)(=O)c2ccc(CBr)cc2)C[C@@H](C)N1Cc1ccccc1 404260947 DJOXXVKNPOPCJB-FGTMMUONSA-N 451.430 4.254 50 10 JIGE CN(Cc1ccccc1)CC1CCN(S(=O)(=O)c2ccc(CBr)cc2)CC1 717603613 KCGLUCNAZSNGRP-UHFFFAOYSA-N 451.430 4.114 50 10 JIGE O=C(NN[C@H](C(=O)N1CCCCC1)c1ccccc1)c1ccccc1OCc1ccc(F)cc1 750209499 FGNIKUZRZWPUTJ-VWLOTQADSA-N 461.537 4.393 50 10 JIGE C=CCn1nc(C)c(-c2cc(C(=O)NNC(=O)Nc3ccc(-c4ccccc4)cc3)n[nH]2)c1C 1617603277 XEOQIFKQAPMBDI-UHFFFAOYSA-N 455.522 4.210 50 10 JIGE COC(=O)c1c(NC(=O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)sc(/C(C)=C/C#N)c1C 1873427055 FXDFWZWEGWFOSD-JRIYGVKESA-N 451.548 4.318 50 10 JIGE O=C(NC1CC([C@@H](F)CBr)C1)c1c(Br)cccc1Br 1906548248 GPFOAAYLYAGRER-AYVLWNQUSA-N 457.963 4.453 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1CC[C@H](Br)C12CCC2 1914449428 OKDFDPRSXWWZMX-LBPRGKRZSA-N 454.533 4.477 50 10 JIGE O=C(c1cccc(F)c1I)N1C[C@H](CBr)C2(CCC2)C1 1914494048 NYOMDEFYFMUUHX-JTQLQIEISA-N 452.105 4.068 50 10 JIGE C[C@](CBr)(NC(=O)c1ccc(I)c(Br)c1)C1CC1 2029945972 RRUAYJIGGCXGLY-CYBMUJFWSA-N 486.973 4.347 50 10 JIGE O=C(CBr)c1c(I)ccc(Br)c1Br 2054852786 OVLPJVHIPNGTRZ-UHFFFAOYSA-N 482.735 4.394 50 10 JIGE CCOC(=O)c1ccc(OC(F)(F)F)c(I)c1CBr 2055272918 QFTUCOASXYYPBF-UHFFFAOYSA-N 452.992 4.261 50 10 JIGE O=C(c1csc(I)c1)N1CC[C@@](CBr)(C(F)(F)F)C1 2111393813 DRYZRJAELPPPBX-JTQLQIEISA-N 468.076 4.142 50 10 JIGE CC1(C)CN(Cc2ccccc2)CCN(S(=O)(=O)c2csc(CBr)c2)C1 2123225769 SYJVRDXZVYVTRP-UHFFFAOYSA-N 457.459 4.176 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CC[C@]12C[C@@H](CBr)C2 2142278496 DIWIRRUTBPEQOP-KMHCFJFGSA-N 498.984 4.443 50 10 JIGE O=S(=O)(c1ccc(Br)c(CCl)c1)N1C[C@H]2C[C@H]1CN(Cc1ccccc1)C2 2160684397 XVTWXIJKQCMARA-WMZOPIPTSA-N 469.832 4.083 50 10 JIGE CN(C(=O)c1ccc(I)c(O)c1)[C@H]1CCCCC[C@H]1Br 2172549096 YGTSOAGFTINREV-YPMHNXCESA-N 452.130 4.165 50 10 JIGE CN([C@H]1CC[C@H]1OCc1ccccc1)S(=O)(=O)c1ccc(CCCBr)cc1 2179858906 VSXDLJDQVHMSDR-LEWJYISDSA-N 452.414 4.382 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N[C@H]1C[C@@H](CCBr)C1 2277929626 RSHKSEAWJNRNDF-SWZMTVOYSA-N 454.000 4.434 50 10 JIGE C[C@@H](Br)CN(CC(C)(C)C)C(=O)Cc1ccccc1I 2288063797 VADSDMVMGKTRDS-GFCCVEGCSA-N 452.174 4.492 50 10 JIGE Cc1cc(C)cc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)NCCCOC(C)C)c1 2296720355 WBCUYLYZLIPRFP-UHFFFAOYSA-N 474.561 4.250 50 10 JIGE COc1cc(C=C(C#N)c2nn(CCO)c(N)c2C#N)ccc1OCc1ccc(Cl)cc1Cl 2297320439 YGCDVBTUCATVIS-UHFFFAOYSA-N 484.343 4.288 50 10 JIGE CCCCCCN1C(=O)C(=CNc2ccc([N+](=O)[O-])cc2Br)C(C)=C(C#N)C1=O 2314579278 OMWPGMPNKBMUFI-UHFFFAOYSA-N 461.316 4.442 50 10 JIGE COc1ccc(NC=C2C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1Cl 2314579406 RXBCKNAETHRTRJ-UHFFFAOYSA-N 481.936 4.113 50 10 JIGE Cc1ccc(CNCCSSCCNC(=O)OC(C)(C)C)c(O)c1Br 2327621234 LJMHIDDYDXIGKP-UHFFFAOYSA-N 451.452 4.459 50 10 JIGE O=S(=O)(c1ccc(CBr)s1)N1CC[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2331088795 HIDKQALTXWCPTK-DLBZAZTESA-N 455.443 4.071 50 10 JIGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc(Br)c1OC(C)=O 6600365 TUMRPMUJJZYCNL-ZSOIEALJSA-N 474.267 4.227 50 10 JIGE COc1cc(-c2n[nH]c3c2[C@@H](c2cccc(Br)c2)C(C#N)=C(N)O3)cc(OC)c1OC 8410123 BZNBGKDIYWOXRA-KRWDZBQOSA-N 483.322 4.083 50 10 JIGE Cc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)c2sc3ccccc3c2Cl)c(C)c1 12502501 PIGAKSHYLHZGTO-UHFFFAOYSA-N 489.022 4.226 50 10 JIGE CC(C)CCOc1ccc(Br)cc1C(=O)NNC(=O)CCC(=O)Nc1ccccc1 14650712 APOHYHGMAVJIBU-UHFFFAOYSA-N 476.371 4.054 50 10 JIGE Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)COc1ccccc1C1SCCS1 14939793 KIJWEGGWHSROMH-UHFFFAOYSA-N 471.629 4.437 50 10 JIGE CCOc1ccc(N2C(=O)/C(=C/NNC(=O)c3ccccc3-n3cccc3)c3ccccc3C2=O)cc1 38183826 OIOFEYRVVZEBGG-NCELDCMTSA-N 492.535 4.339 50 10 JIGE O=C(NNc1ncnc(Nc2ccc(Cl)c(C(F)(F)F)c2)c1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] 40658053 DZWANEYOQSPYAU-UHFFFAOYSA-N 497.777 4.466 50 10 JIGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccccc2Br)c(OCC)c1 40867321 FYOBIJWYSQQCPO-LFIBNONCSA-N 474.307 4.302 50 10 JIGE CCCCCCC(=O)N/N=C/C1=CC(Br)=C/C(=C\NNC(=O)CCCCCC)C1=O 137887390 GVZUGSKJQKVBOS-ZKSVZRDSSA-N 481.435 4.322 50 10 JIGE CCn1c(SCC(=O)NN=Cc2ccc(C(F)(F)F)cc2)nnc1-c1ccc(OC)cc1 254287480 HMCLZWIALRSTJA-UHFFFAOYSA-N 463.485 4.235 50 10 JIGE COc1ccc2ccccc2c1C=NNC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254865376 KANJPRBGNNAAJC-VEYAZYFZSA-N 493.519 4.498 50 10 JIGE CN([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(Br)cc(CCl)c1F 312671020 IYMKKPLIFMLZOA-KRWDZBQOSA-N 475.811 4.222 50 10 JIGE CCOc1ccc(C(=O)/C=C2\SC(=Nc3ccc(C(=O)CBr)cc3)NC2=O)cc1 606656294 DPMXQAYJSQIUQK-ODLFYWEKSA-N 473.348 4.280 50 10 JIGE O=C(NNc1ccc(F)c(F)c1F)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 728718223 AKIMDKGMRWJZJG-UHFFFAOYSA-N 455.845 4.315 50 10 JIGE COc1ccc(CNC(=O)COC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3F)c2C)cc1 755641242 RCHAXUFHTYIOTH-BKUYFWCQSA-N 461.493 4.008 50 10 JIGE COc1ccc(C)cc1N(CC(=O)NN=C(C)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 1084273288 PSGPPOUDZUWIEY-UHFFFAOYSA-N 485.993 4.393 50 10 JIGE O=C(NN=C1C(=O)N(CCc2ccccc2)c2ccc(Br)cc21)c1ccc(F)cc1 1084644907 LNKIEVUGJJIMLV-UHFFFAOYSA-N 466.310 4.312 50 10 JIGE O=C(CSc1nc2ccccc2o1)NN=Cc1cc(Br)c(O)c(Br)c1 1772760344 DVXKWDRRFOEDIE-UHFFFAOYSA-N 485.157 4.301 50 10 JIGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@@H](c2ccc(N(C)C)cc2)C(C#N)=C(N)O3)cc1 1865683697 NDOUBDMBTYTGQB-QHCPKHFHSA-N 464.529 4.227 50 10 JIGE COc1cccc2c1C(=O)N([C@@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)C2=O 1865841574 YQPXKRAJRILWEO-FQEVSTJZSA-N 457.511 4.114 50 10 JIGE Cc1sc(CBr)cc1S(=O)(=O)N1CCN(Cc2ccccc2)CC[C@H]1C 1885141908 CVIKDAOESOHWQH-OAHLLOKOSA-N 457.459 4.237 50 10 JIGE CN(C[C@H]1C[C@H](Br)C1)[C@@H](CN)c1c(Br)cccc1Br 1887900329 CKCYRFBRBRAADP-KWBADKCTSA-N 455.032 4.317 50 10 JIGE C[C@H](Br)CN(Cc1ccccc1)S(=O)(=O)C1CC(OCc2ccccc2)C1 1954527322 VJOYBKUTHWOBNH-RPCJCACASA-N 452.414 4.350 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CC[C@@H](Cl)CC12CC2 2113589271 NFZPJKQUVQMXPD-SECBINFHSA-N 454.533 4.430 50 10 JIGE C[C@H]1CN(Cc2ccccc2)CCCN1S(=O)(=O)c1ccc(CCl)c(Br)c1 2144842383 VFWSXKUVYLXXNM-INIZCTEOSA-N 471.848 4.473 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N[C@H](CBr)CC2CC2)cc1Br 2146591742 RYUDXXLGMUTZEH-JTQLQIEISA-N 490.055 4.362 50 10 JIGE O=C(Cc1ccccc1I)NCC[C@H]1CCCC[C@@H]1Br 2179630141 RZXJGQLDLULCAI-OCCSQVGLSA-N 450.158 4.294 50 10 JIGE C[C@H]1CC[C@H](CN(C)S(=O)(=O)c2cc(CBr)sc2Br)S1 2179785618 ORJOQJBWUZQFSV-DTWKUNHWSA-N 463.282 4.310 50 10 JIGE Cc1c(CBr)cccc1S(=O)(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 2179794770 KLNCHLLLOASOSG-QGZVFWFLSA-N 451.430 4.175 50 10 JIGE CCS(=O)(=O)C[C@@H](Br)c1cc(Br)c(Br)cc1F 2213489726 NBRTXMZQIFIMQC-SECBINFHSA-N 452.965 4.221 50 10 JIGE CN(C[C@H](Br)COCc1ccccc1)S(=O)(=O)Cc1ccsc1Br 2213760848 MECFJEZRLZHIFT-HNNXBMFYSA-N 497.274 4.253 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@@H](Br)C[C@@H](F)C1 2219180379 IFNSCHXABGWURX-DTWKUNHWSA-N 490.936 4.001 50 10 JIGE O=C(C=Cc1ccco1)Oc1ccc(Br)cc1C=NNC(=O)c1ccccc1O 2294365356 ATOSEEHXWCEYHY-UHFFFAOYSA-N 455.264 4.130 50 10 JIGE N#CC(=CNc1ccc(S(=O)(=O)NC(N)=O)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 2296049223 LFJNXQIMWUTLBA-UHFFFAOYSA-N 494.385 4.450 50 10 JIGE CO[C@@H]1C[C@@H](Br)CN(Cc2ccc(I)c(Br)c2)C1 2325225063 BUAUYZRTFYVVOM-GHMZBOCLSA-N 488.989 4.038 50 10 JIGE C=CC[C@@H](Br)[C@H]1CCN1C(=O)c1cc(Cl)ccc1I 2335816332 CIWBJYNRKSNALH-DGCLKSJQSA-N 454.533 4.499 50 10 JIGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)Nc1ccccc1CCBr 2364206052 PEEOFFHRFTZOHC-UHFFFAOYSA-N 493.423 4.222 50 10 JIGE CC(C)CC(=O)Nc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2C(C)C)cc1 9231631 CKBMVUWBFQUGHA-UHFFFAOYSA-N 490.398 4.397 50 10 JIGE COc1ccc(C(=O)NNC(=O)c2sc3ccccc3c2Cl)cc1I 12573646 QHCLAGDVOFHPTN-UHFFFAOYSA-N 486.718 4.243 50 10 JIGE Cc1ccc(/C=C/C(=O)NC(=S)NNC(=O)COc2ccc3ccccc3c2Br)cc1 13978652 WKNINLDNMGWFLQ-JLHYYAGUSA-N 498.402 4.025 50 10 JIGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)COc2ccc(Cl)cc2)c(Br)c1 14832234 OIGANACTVGHGNI-CYBMUJFWSA-N 469.763 4.221 50 10 JIGE Cc1ccc(C(=O)NNC(=O)c2oc3c(c2C)/C(=N/Nc2ccc([N+](=O)[O-])cc2)CCC3)cc1 40814773 IFNUNCBKGXQJIT-LGUFXXKBSA-N 461.478 4.032 50 10 JIGE O=C(COc1cc(Cl)ccc1Cl)N/N=C1\C(=O)N(Cc2ccccc2)c2ccccc21 40846279 SJHGCWDXUISLGI-QYQHSDTDSA-N 454.313 4.440 50 10 JIGE N#C/C(=C\c1ccc(OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1)C(=O)NCc1ccco1 40926372 LJPVKWDRVBOQEX-XNTDXEJSSA-N 451.822 4.284 50 10 JIGE Cc1ccc(NC(=O)CN2C(=O)/C(=N/NC(=O)COc3ccc(C(C)(C)C)cc3)c3ccccc32)cc1 59166183 GLBVOIOFVGXLJA-QVAGMWBUSA-N 498.583 4.177 50 10 JIGE C=CCn1c(CNc2ccccc2)nnc1S[C@@H](C)C(=O)N/N=C(\C)c1ccc([N+](=O)[O-])cc1 59261326 KWBHRBBHPGPKMT-XUANBZSPSA-N 479.566 4.005 50 10 JIGE CC(=O)Oc1ccc(-n2c(C)cc(/C=N/NC(=O)C(O)(c3ccccc3)c3ccccc3)c2C)cc1 59427061 IERUWTXHSSVUIY-NDZAJKAJSA-N 481.552 4.406 50 10 JIGE CC(C)=C(CI)NC[C@H](O)COc1cccc2[nH]c3ccccc3c12 100434069 UVHUKXLPEXSEHA-AWEZNQCLSA-N 450.320 4.379 50 10 JIGE C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](c2ccccc2)(c2ccccc2)O[Si](C)(C)O1 195805002 ACSWDSBPIVEOFN-UHFFFAOYSA-N 494.917 4.147 50 10 JIGE COc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1cc(C)ccc1C 206409220 UEXGTPDAPZJXLX-NDENLUEZSA-N 460.486 4.113 50 10 JIGE COc1ccccc1/C=C(\C#N)C(=O)Oc1ccc(/C=C(/C#N)C(=O)NCc2ccco2)cc1 206727060 ZWSJZIAVAOZPIH-IWXNDQKYSA-N 453.454 4.024 50 10 JIGE O=S(=O)(c1ccc(Cl)c(Br)c1)N(CCBr)CC(F)(F)F 231586920 WETFHONYMPEBRX-UHFFFAOYSA-N 459.509 4.050 50 10 JIGE CCOc1ccc(S(=O)(=O)N(CC(=O)NN=C(C)c2cccs2)c2ccc(C)cc2)cc1 252627993 SFTMLBFVILPWDR-UHFFFAOYSA-N 471.604 4.191 50 10 JIGE CC(=O)Nc1ccc(OCC(=O)NN=Cc2ccccc2OCc2ccc(Cl)cc2)cc1 254555458 RNUPMUBKQXKSMA-UHFFFAOYSA-N 451.910 4.407 50 10 JIGE COc1cc(C=NNC(=O)COc2c(C)cccc2C)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 254902684 CIICXVRYQKPEDM-UHFFFAOYSA-N 494.460 4.450 50 10 JIGE CO[C@@H]1[C@@H](Cl)C[C@@H]1Oc1c(I)cc(Cl)cc1I 310426981 QCFBPWDZNPQJHH-JMOVZRAMSA-N 498.913 4.323 50 10 JIGE CN(C(=O)c1cc(I)ccc1Br)[C@@H]1CCC[C@H]1Br 709264731 AHTIOHZMOVCXJB-VXGBXAGGSA-N 486.973 4.442 50 10 JIGE C[C@H](CBr)CN(C)C(=O)c1ccc(I)c(Br)c1 721505389 ALIBATKJHWAGMG-MRVPVSSYSA-N 474.962 4.157 50 10 JIGE CCOC(=O)CC1CCN(C(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)CC1 914607637 AEMQPKCIKJBYBG-HKWRFOASSA-N 479.968 4.216 50 10 JIGE CCOc1ccc(C=NNC(=O)COc2ccc(Br)cc2Br)cc1 1084457903 UFZKUYBMSWWYQO-UHFFFAOYSA-N 456.134 4.139 50 10 JIGE C=CCC[C@@H](C(=O)NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)c1ccccc1 1135729099 DVMOJNSZZBOJOG-HSZRJFAPSA-N 451.530 4.445 50 10 JIGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccccc1C(=O)O)C(C#N)=C(N)O2 1865704408 VBSFNJYUJBDHOU-GOSISDBHSA-N 465.307 4.114 50 10 JIGE CC[C@](C)(NC(=O)c1cc(C)n(-c2ccccc2F)n1)C(=O)Nc1ccc(SC#N)cc1 1867172463 RQYSBBATCOJCBM-QHCPKHFHSA-N 451.527 4.430 50 10 JIGE O=C(c1cccc(Br)c1Br)N1CCS[C@H](CBr)C1 2031477676 DBFXXLYJVGRRJP-MRVPVSSYSA-N 458.013 4.164 50 10 JIGE CCOC(=O)Cc1cc(CBr)c(I)cc1C(F)(F)F 2055272650 MXLSBICHOJSXAU-UHFFFAOYSA-N 451.020 4.311 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H](CBr)C2(CC2)C1 2087794314 FFBJYTIGLWYZKQ-SNVBAGLBSA-N 498.984 4.301 50 10 JIGE BrCCN1CCC[C@@H](NCc2cccc(Br)c2Br)C1 2092341029 XIMGBRCDUKCISA-GFCCVEGCSA-N 455.032 4.161 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CC[C@@H]2[C@H](CBr)[C@@H]2C1 2093137007 HHFYOMJXFPWDDK-ADEWGFFLSA-N 498.984 4.157 50 10 JIGE O=C(c1cc(Br)sc1Br)N1CCC[C@@H](OCCBr)C1 2113863312 FJXWZTOZKRPMKZ-MRVPVSSYSA-N 476.028 4.289 50 10 JIGE CC(C)C[C@@](C)(CNC(=O)OC(C)(C)C)NS(=O)(=O)c1ccc(CBr)cc1 2162591775 NXHNDELDGDRWDT-IBGZPJMESA-N 463.438 4.189 50 10 JIGE CO[C@@H]1CC(O[C@H](CI)c2cccc(Br)c2)C[C@H]1OC 2166423579 YCORJWHSAQDNLG-RBSFLKMASA-N 455.130 4.134 50 10 JIGE Cc1c(CBr)cc(Cl)cc1S(=O)(=O)N1CCCN(Cc2ccccc2)CC1 2179861535 ISBPXJBOXSIXQE-UHFFFAOYSA-N 471.848 4.440 50 10 JIGE CC[C@H]1CN(C(=O)c2ccc(Cl)c(I)c2)C[C@H]1CBr 2268344821 MAXQBYASJVVHSL-GXSJLCMTSA-N 456.549 4.438 50 10 JIGE COc1ccc(CCN2C(=O)C(=CNc3ccc(OC)c(Cl)c3)C(C)=C(C#N)C2=O)cc1 2314579303 PGDIGPSFZBHXMZ-UHFFFAOYSA-N 451.910 4.105 50 10 JIGE COc1cc(C=CC(=O)Oc2ccc(C=C(C#N)C(N)=O)cc2OC)ccc1OCCC(C)C 2314790217 MCGWOXICRXSDSB-UHFFFAOYSA-N 464.518 4.140 50 10 JIGE C[C@@H]1C[C@H](CBr)CN(C(=O)c2ccc(Cl)cc2I)C1 2340056148 CXUBVJSLUCZLOS-NXEZZACHSA-N 456.549 4.438 50 10 JIGE C[C@@H]1CN(Cc2ccc(I)c(Br)c2)C[C@@H](CCCl)O1 2349861027 JVRBIWQAROZMFC-ZYHUDNBSSA-N 458.565 4.272 50 10 JIGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(OCC)c(OC)c2)sc(C(C)=O)c1C 1959319 PYRJCRISKOBTFK-YBEGLDIGSA-N 456.520 4.389 50 10 JIGE CN(C)c1ccc(/C=N/NC(=O)CSc2nnc(Cc3ccccc3)n2-c2ccccc2)cc1 8386236 OMYJHPDPADLXBX-OVVQPSECSA-N 470.602 4.167 50 10 JIGE C/C(CC(=O)Nc1cccc(C(F)(F)F)c1)=N\NC(=O)C(=O)Nc1cccc2ccccc12 8952054 FMWFEAIJCDGZNE-IPPBACCNSA-N 456.424 4.318 50 10 JIGE CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)CCc2ccccc2)cc1Br 14645974 BEADGKBTHKXNTN-UHFFFAOYSA-N 492.439 4.142 50 10 JIGE Cc1ccc2cc3c(nc2c1)N(c1ccc(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1)CC3 39881545 IEFROGOLIYVEMU-UHFFFAOYSA-N 467.485 4.220 50 10 JIGE Cc1c(C(=O)NNC(=O)c2cccc(Cl)c2)oc2c1/C(=N/NC(=O)c1ccccc1Cl)CCC2 101598922 QKQNCWMHDYZUFH-OVVQPSECSA-N 499.354 4.440 50 10 JIGE CC[C@H](CCBr)CNS(=O)(=O)c1cc(Br)ccc1Br 137098476 DDXKMYMIANXWPP-SECBINFHSA-N 478.044 4.301 50 10 JIGE O=C(N/N=C\c1cccc(C(F)(F)F)c1)c1ccc(Nc2nc3ccccc3c(=O)[nH]2)cc1 169927838 LIXFNGKGUUMZEJ-WKIKZPBSSA-N 451.408 4.449 50 10 JIGE CCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C\c2ccc(OCC)c(OC)c2)c(OC)c1 206504188 JWIMIBKZLWOKPI-INBJJMLYSA-N 464.518 4.154 50 10 JIGE CCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2)cc1OC 206699562 OTDFHZHPGCSANL-MGAWAESESA-N 497.507 4.423 50 10 JIGE C=CCc1ccc(OCC(=O)NN=Cc2ccc(OC(=O)c3cccc(C)c3)cc2)c(OC)c1 254354438 UGXFCCPWCXOORH-UHFFFAOYSA-N 458.514 4.480 50 10 JIGE CCN(CC)c1ccc(C=NNC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1 254750221 IVCAOHPEDPRSFP-UHFFFAOYSA-N 464.591 4.406 50 10 JIGE CC(C)[C@H](Br)C(=O)Nc1cc(Br)ccc1I 300976681 QWPVQSSBBKXGJW-JTQLQIEISA-N 460.935 4.412 50 10 JIGE CN(Cc1cscc1Br)S(=O)(=O)c1cc(CCl)oc1Br 710029435 HSCHKTOOSZGIAS-UHFFFAOYSA-N 463.600 4.426 50 10 JIGE COc1ccc(C=NNC(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)cc1OC 1083904679 AWUAHKIYCBQLMP-UHFFFAOYSA-N 482.334 4.483 50 10 JIGE C#CCN1CCC[C@@H](NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)C1 1471832866 KWFGMAVLESOKFS-VLOXRPPESA-N 454.496 4.234 50 10 JIGE C=CCOc1ccccc1CNC(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl 1564063260 ONKVBAMGLKCFPX-UHFFFAOYSA-N 452.338 4.248 50 10 JIGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(C)cc2)c1 1865691898 DOJWJFNCVGAAQJ-IBGZPJMESA-N 470.451 4.494 50 10 JIGE CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3C)cc1OC 1865697196 PEUMEPJSIBWRSL-GOSISDBHSA-N 481.350 4.475 50 10 JIGE CCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865705184 OEXBUMYURZYQCR-HSZRJFAPSA-N 463.497 4.267 50 10 JIGE Cc1nc(Cc2ccccc2)sc1C(=O)NNC(=O)COc1ccc(Cl)cc1Cl 1865845272 PATPMWPBIMSXAD-UHFFFAOYSA-N 450.347 4.189 50 10 JIGE N#C/C(=C(/O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2cccc(Cl)c2)cs1 1872748357 UFKTZLLUHVLMMF-VKAVYKQESA-N 466.862 4.461 50 10 JIGE N#C/C(=C(/O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2ccc(F)c(F)c2)cs1 1872751448 IHHBQAHUMRRCDR-ATVHPVEESA-N 468.397 4.085 50 10 JIGE O=S1(=O)C[C@H]2[C@@H](C1)[C@@H]2[C@@H](Cl)c1c(Br)sc(Br)c1Cl 2054220731 ZWAZTVHTYHMCTH-UELCQGJWSA-N 455.020 4.497 50 10 JIGE CC1([C@H](CBr)NS(=O)(=O)c2cc(Br)ccc2Br)CC1 2094136115 IMGXLGNRUBIOFY-NSHDSACASA-N 476.028 4.054 50 10 JIGE O=C(N[C@@H]1C[C@H](CBr)[C@H]2C[C@@H]21)c1cc(Br)cc(Br)c1 2110547627 BUXKASFAYLEXOU-WRSRJMLGSA-N 451.984 4.361 50 10 JIGE BrCc1cc(Br)ccc1-n1cnc2c(I)ncnc21 2121248755 VDXHQEWFKOBHIY-UHFFFAOYSA-N 493.928 4.078 50 10 JIGE C[C@H]1CN(Cc2ccccc2)C[C@@H](C)N(S(=O)(=O)c2csc(CBr)c2)C1 2123236962 LHLXUVDRCMSAQJ-JKSUJKDBSA-N 457.459 4.174 50 10 JIGE C=C(Br)CN(C)S(=O)(=O)c1cc(Cl)cc(CBr)c1Cl 2123269151 PQZKSGGGSORAEZ-UHFFFAOYSA-N 451.995 4.417 50 10 JIGE C[C@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2C(=O)c1cc(I)ccc1F 2169660334 BKBBBUJLNWBQHT-LGYCOIBBSA-N 452.105 4.207 50 10 JIGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1C[C@H]2C[C@H]1[C@@H]2CBr 2203022618 WAFKYEFLYOVIQL-HLEGCSNESA-N 464.006 4.160 50 10 JIGE O=C(Cc1ccc(Br)cc1Cl)N1C[C@H](Br)[C@@H](Br)C1 2221697103 IOEGVUCKVSLSKC-UWVGGRQHSA-N 460.391 4.014 50 10 JIGE CC(C)(C)[C@H]1[C@H](Br)CCN1C(=O)c1c(F)cccc1I 2282786832 JKKAQBHXXSQGTJ-NOZJJQNGSA-N 454.121 4.454 50 10 JIGE COC(=O)c1cccc(-n2c(C)cc(C=C(C#N)C(=O)N3CCN(c4ccccc4)CC3)c2C)c1 2294187453 QYOZDFRUZVMPBE-UHFFFAOYSA-N 468.557 4.137 50 10 JIGE COc1cc(C=C(C#N)C(=O)N(C)C)cc(I)c1OCc1cccc(C)c1 2313568716 WLKCYFIYRSBHOM-UHFFFAOYSA-N 476.314 4.182 50 10 JIGE CCCOc1ccc(C=C(C#N)C(=O)Oc2ccc3cc(C(=O)NC(C)C)c(=O)oc3c2)cc1 2314751018 KOOSZAPYUZJAJV-UHFFFAOYSA-N 460.486 4.233 50 10 JIGE CCCOc1ccc(C=NNC(=O)c2cccn(Cc3ccc(Cl)cc3)c2=O)cc1OC 2323647768 QNSPSQHSNKCAIK-UHFFFAOYSA-N 453.926 4.111 50 10 JIGE COc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)[C@H](C)NC(=O)OC(C)(C)C)cc1C 2328794941 MAOKTYUQPSQQFW-SFHVURJKSA-N 477.565 4.220 50 10 JIGE CCOC(=O)c1cnn(-c2ccc(Cl)cc2)c1NC(=O)C(C#N)=Cc1ccc(OC)cc1 2329622674 YQKFEJTWVBHIET-UHFFFAOYSA-N 450.882 4.257 50 10 JIGE COC(=O)c1ccccc1N1C[C@@H](C(O)=C(C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1=O 2331232763 MREKLZIQZYUWKO-HNNXBMFYSA-N 490.497 4.351 50 10 JIGE CCn1cnc(COc2c(Br)cc(CBr)cc2Br)n1 2341721610 KNWBQGLWQFTEQI-UHFFFAOYSA-N 453.960 4.297 50 10 JIGE Cc1nn(C)c(OCc2cc(I)ccc2Cl)c1CBr 2352247326 GJNNVJIIFVHPNC-UHFFFAOYSA-N 455.521 4.460 50 10 JIGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1ccc(OCCC(C)C)cc1 14037193 UWHHTWRJYNLAEE-SFHVURJKSA-N 471.623 4.340 50 10 JIGE CC(C)c1ccccc1OCC(=O)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Br 14644161 WYBVDNBGSLAWDY-ZDUSSCGKSA-N 469.763 4.220 50 10 JIGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc([N+](=O)[O-])c2)c1 38654035 DNJJOTYGPRHPFZ-HSZRJFAPSA-N 457.442 4.431 50 10 JIGE COc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)NC3CC(C)(C)NC(C)(C)C3)c(C)c21 40813232 KTGVDWRULLMDOY-VUTHCHCSSA-N 480.609 4.106 50 10 JIGE CCOc1c(/C=N/NC(=O)COc2ccc(Br)cc2Br)cccc1OC 40911997 OGQRIHNVEINVDQ-UFFVCSGVSA-N 486.160 4.148 50 10 JIGE O=[N+]([O-])c1ccc(/C(=C\c2ccc(I)o2)S(=O)(=O)C(Cl)Cl)o1 109786298 OZKDTXFVTRPXJA-VMPITWQZSA-N 478.047 4.060 50 10 JIGE C[C@H](CBr)[C@@H](C)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 167740096 YNZJRPLMQWAGLL-RNFRBKRXSA-N 454.011 4.454 50 10 JIGE CC(=NNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)c1ccncc1 254764973 SOLYGZKGMZSPAT-UHFFFAOYSA-N 489.626 4.354 50 10 JIGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3cccc(OC)c3)cc2OC)cc1 254840913 KBBYJFGCUKUJNA-UHFFFAOYSA-N 462.502 4.476 50 10 JIGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1CCSC[C@H]1CBr 387546782 ADJHZJYENIQXCZ-MRVPVSSYSA-N 484.062 4.257 50 10 JIGE CCC(CBr)(CBr)NC(=O)Cc1ccc(Br)cc1F 692835859 HPQHPNKPYNUPEC-UHFFFAOYSA-N 459.979 4.186 50 10 JIGE O=S1(=O)CCCC[C@@H]1COc1c(Br)cc(Br)cc1CBr 694399962 BJAGPDXVTREDDB-LLVKDONJSA-N 491.039 4.453 50 10 JIGE CN([C@H]1CCC[C@H]1Br)S(=O)(=O)c1cc(Br)ccc1Br 709123473 CPTOVCDVEMRWQB-KOLCDFICSA-N 476.028 4.148 50 10 JIGE O=C(NCc1cccc(COc2ccccc2)c1)NNC(=O)c1cc(F)ccc1Br 728747011 IBXIMKLKYDBLMJ-UHFFFAOYSA-N 472.314 4.311 50 10 JIGE CC(=O)Nc1cccc([C@H](C)NC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)c1 914471435 AYILMIPIJWKGNG-GFHXCNCHSA-N 452.518 4.207 50 10 JIGE N#CCCn1cc(/C=C(\C#N)C(=O)NCC(=O)N2CCCc3ccccc32)c(-c2ccc(Cl)cc2)n1 919993893 GPKWBBGWUSOOFM-RCCKNPSSSA-N 498.974 4.120 50 10 JIGE O=C(Cc1ccc([N+](=O)[O-])cc1)NN=C1C(=O)N(Cc2cccc3ccccc23)c2ccccc21 1084558690 BIFMLSJDHAPYPP-UHFFFAOYSA-N 464.481 4.358 50 10 JIGE O=C(NNC(=O)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 1086879246 UEHBHZSEIFVKON-UHFFFAOYSA-N 475.892 4.235 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 1254896173 QLELYPBZCJSBJN-FVQHAEBGSA-N 461.694 4.128 50 10 JIGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(O)cc1O)C(C#N)=C(N)O2 1865681361 LFXZTTFBLDIZSZ-HXUWFJFHSA-N 454.889 4.306 50 10 JIGE CCOC(=O)c1c(NC(=O)CI)sc(C(=O)OC2CCCCC2)c1C 1865947887 YHSJUCPQCXFBQO-UHFFFAOYSA-N 479.336 4.096 50 10 JIGE C[C@@H]1CC[C@H](Br)CN1c1ncc(I)cc1Br 1988532016 AKZYRBHGZWOUGQ-SFYZADRCSA-N 459.951 4.201 50 10 JIGE O=C(c1c(Br)cccc1Br)N1CCSC[C@H]1CBr 2033086726 PEEQCYHLJLDXSW-MRVPVSSYSA-N 458.013 4.164 50 10 JIGE CCOC(=O)Cc1cc(CBr)cc(I)c1Br 2054988411 BVLPQYYQLJSFKM-UHFFFAOYSA-N 461.919 4.054 50 10 JIGE O=C(Cl)c1cc(I)c(C(F)(F)F)c(I)c1 2060039273 CRBGZEALWQSIAW-UHFFFAOYSA-N 460.358 4.294 50 10 JIGE FC(F)(F)c1c(I)c(CBr)nn1-c1ccc(Cl)nc1 2078933220 NQGWRSCURFXOLU-UHFFFAOYSA-N 466.426 4.439 50 10 JIGE CSCC[C@@H](Br)CCNS(=O)(=O)c1cc(Br)sc1C 2090377434 RUMBOAOOAQHVFH-VIFPVBQESA-N 451.271 4.004 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CC(F)(F)C[C@@H]1CCl 2102794169 GJNABTBYYZUWNG-MRVPVSSYSA-N 464.475 4.142 50 10 JIGE COc1cc(COc2c(Br)cc(Br)cc2CBr)ncn1 2163577890 KDAKKERYUACTJV-UHFFFAOYSA-N 466.955 4.484 50 10 JIGE CN(C(=O)c1cc(I)ccc1F)C1CCC(CBr)CC1 2171095765 QVBMSHARNGYBCP-UHFFFAOYSA-N 454.121 4.456 50 10 JIGE Cc1cc(S(=O)(=O)N(CCCN(C)C)Cc2ccccc2)cc(CBr)c1F 2179862289 UIFUBPBVYOQDJW-UHFFFAOYSA-N 457.409 4.172 50 10 JIGE CC1(C)CC[C@H](CBr)N(C(=O)c2c(F)cccc2I)C1 2282793098 XCUSEYZBOCYTKQ-SNVBAGLBSA-N 454.121 4.456 50 10 JIGE Brc1cc(CN2C[C@@H]3C[C@H](Br)[C@H]2C3)ccc1I 2306229556 WYLGGRSKIHUKPS-SUZMYJTESA-N 470.974 4.411 50 10 JIGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)C=Cc2ccc(OCC)c(OC)c2)c(OC)c1 2314728879 PGGYFMVIEOXHAM-UHFFFAOYSA-N 451.475 4.191 50 10 JIGE O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)NN=Cc1c(O)ccc2ccccc12 2320727302 OHIUQJQDPNJAMT-UHFFFAOYSA-N 454.511 4.134 50 10 JIGE Clc1ccc(CN2[C@H](CBr)C[C@@H]3OCC[C@H]32)cc1I 2337225946 RNBHWKIFGJGRRM-GDLCADMTSA-N 456.549 4.071 50 10 JIGE Cc1nc(Br)c([C@H](Cl)c2cc(I)cc3c2OCC3)n1C 2362446925 QHYFLTBAIUCRHV-LLVKDONJSA-N 467.532 4.359 50 10 JIGE Cc1cccc(O[C@@H](C)C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)c1 13993346 ZLZMOMMBPNAAFT-HNNXBMFYSA-N 463.372 4.049 50 10 JIGE CCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(C(C)(C)C)cc1 14654163 LHVPLYBIHQPZIJ-UHFFFAOYSA-N 492.439 4.485 50 10 JIGE CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)/C(C#N)=C/c2ccc(OCC)c(OC)c2)c(OCC)c1 33378291 RLPWWUGCNNWXLY-AYRZQKSOSA-N 490.512 4.475 50 10 JIGE Cc1cc(-c2ccc(/C=N\NC(=O)[C@@H](NC(=O)Cc3cccs3)C(C)C)o2)cc([N+](=O)[O-])c1C 33766846 XJEPPRIDKFZJQA-MJTPSYECSA-N 482.562 4.367 50 10 JIGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)c1 38684530 CZRIUXYCBDIEBV-SANMLTNESA-N 499.479 4.362 50 10 JIGE CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@@H]3COc4ccccc4O3)ccc21 38687429 DCFQEBGSWAOPGP-LOSJGSFVSA-N 470.481 4.049 50 10 JIGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)c1 38688733 PXQSCZWFZYIFNO-VWLOTQADSA-N 496.475 4.248 50 10 JIGE Cc1c(C(=O)Nc2ccccc2Br)oc2c1/C(=N/NC(=O)c1cccnc1)CCC2 40814166 FIRKVBRKPAKGJG-YZSQISJMSA-N 467.323 4.468 50 10 JIGE COc1ccccc1/C=C(/C#N)C(=O)Oc1ccc2cc(C(=O)NCc3ccccc3)c(=O)oc2c1 206523314 LQNGDRPCFKZQQW-BKUYFWCQSA-N 480.476 4.244 50 10 JIGE CCOc1ccc(Br)cc1C=NNC(=O)c1cc(Br)ccc1OC 254759456 MZOKPUGQVWPJNU-UHFFFAOYSA-N 456.134 4.383 50 10 JIGE COC(=O)c1ccc(-n2c(C)cc(C=NNC(=O)CNc3cccc(C(F)(F)F)c3)c2C)cc1 254799775 LIJXQWZGICTLES-UHFFFAOYSA-N 472.467 4.462 50 10 JIGE C[C@@]1(CBr)CCN(S(=O)(=O)c2cc(Br)ccc2Br)C1 381554079 GMILAEBRLQMCRD-LBPRGKRZSA-N 476.028 4.007 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OCCOCC2CCC2)C1 400670500 OXPXHQSLOKTFDR-SFHVURJKSA-N 453.361 4.024 50 10 JIGE CN(C(=O)c1cc(Br)ccc1I)[C@H]1CCC[C@@H]1Br 709269665 XHZARRGLYUMELE-JQWIXIFHSA-N 486.973 4.442 50 10 JIGE CC(C)(C)OC(=O)N1C[C@H](c2ccc([N+](=O)[O-])cc2F)[C@@H](CI)C1 725432729 HPAFMZWOIIWTOO-GWCFXTLKSA-N 450.248 4.119 50 10 JIGE CN(CC(=O)Nc1cccc(Cl)c1)C(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1 915195830 HABSTKMYOOESNH-CPNJWEJPSA-N 472.936 4.121 50 10 JIGE CS(=O)(=O)N(CC(=O)NN=Cc1ccc2c3c(cccc13)CC2)c1ccc2c3c(cccc13)CC2 1084598542 AWDOUSOFUJONOP-UHFFFAOYSA-N 483.593 4.107 50 10 JIGE C=CCn1c(SCC(=O)NNc2cc(F)cc(F)c2F)nnc1-c1ccc(Cl)cc1 1557313504 VEFIXBPXYRXTQF-UHFFFAOYSA-N 453.877 4.437 50 10 JIGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2cc(F)ccc2Oc2ccccc2)cc1 1623035356 XFXAZFSBJVDSFJ-MRXNPFEDSA-N 451.454 4.441 50 10 JIGE CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1cc(OC)c(OC)cc1OC)C(C#N)=C(N)O2 1865711251 UBZMHLVGZLHAJO-QHCPKHFHSA-N 460.534 4.128 50 10 JIGE CC[C@@H]1CN(c2ncc(I)cc2Br)C[C@@H]1CBr 2025365452 ZZSDUJIEOHAMCC-BDAKNGLRSA-N 473.978 4.306 50 10 JIGE C[C@H](Br)CN(C(=O)c1ccc(Br)cc1I)C1CC1 2086151119 KZBKOJAXROZZPF-QMMMGPOBSA-N 486.973 4.442 50 10 JIGE O=C(N[C@H](CBr)c1cscn1)c1cc(Cl)ccc1I 2119038629 JWOPDADJIAOCQZ-SNVBAGLBSA-N 471.545 4.267 50 10 JIGE Cc1cc(S(=O)(=O)N2C[C@H]3CN(Cc4ccccc4)C[C@@]3(C)C2)sc1CBr 2179822873 BMPIACZZEMYHGI-XLIONFOSSA-N 469.470 4.094 50 10 JIGE O=S(=O)(c1ccc(CCl)cc1Br)N1C[C@@H]2CCN(Cc3ccccc3)[C@H]2C1 2188889058 XFCPRXMHBPJSMT-HKUYNNGSSA-N 469.832 4.083 50 10 JIGE NNC(=O)C=Cc1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1 2293940924 NUCKXPBJDIJLGH-UHFFFAOYSA-N 463.102 4.180 50 10 JIGE O=C1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)c2ccccc2N1CC=Cc1ccccc1 2313649563 FNNSUTUBRWUBKJ-UHFFFAOYSA-N 473.348 4.400 50 10 JIGE CCOC(=O)c1cnn(-c2cc(C)c3ccccc3n2)c1NC(=O)C(C#N)=Cc1ccccc1 2322549335 DUGBMHLOTXZUHR-UHFFFAOYSA-N 451.486 4.451 50 10 JIGE CCOC(=O)c1ccccc1NC(=O)C(C#N)=CNc1ccc(I)cc1C 2324433900 FAZPNTGMPRWIGX-UHFFFAOYSA-N 475.286 4.234 50 10 JIGE Cc1cc(C(=O)Oc2ccc(/C=N/NC(=O)CNc3c(C)cccc3C)cc2)ccc1[N+](=O)[O-] 4779739 GYDMEZVWFFBPNN-MZJWZYIUSA-N 460.490 4.301 50 10 JIGE CC(C)COc1cccc(C(=O)NC(=S)NNC(=O)C(c2ccccc2)c2ccccc2)c1 10283276 LEKCGWFYERNTJL-UHFFFAOYSA-N 461.587 4.189 50 10 JIGE O=C1O[C@](CBr)(CCCCCCOc2ccc(Cl)cc2)C(=O)N2CCC[C@H]12 98087769 IHEVAFQIMLAROP-XLIONFOSSA-N 458.780 4.351 50 10 JIGE COc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)cc(Br)c1O 100437452 SEBDPEGTJYHNPG-DHRITJCHSA-N 482.334 4.488 50 10 JIGE CCOC(=O)c1nn(-c2ccccc2)c2c1CN(C(=O)NC[C@@]1(C)C[C@@H](N=C=O)CC(C)(C)C1)CC2 170290581 ZEOHLCWNHKOGIF-PPHZAIPVSA-N 493.608 4.038 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N(CCCl)CC(F)F)cc1Br 231584272 GFOKSJWIBBOOGN-UHFFFAOYSA-N 455.546 4.015 50 10 JIGE C[C@@H]1CN(C(=O)CCN2CCc3sccc3[C@H]2c2ccccc2)CCN1C(=O)C(C)(C)CCl 245328878 QMMRZULEQMFXOA-NTKDMRAZSA-N 488.097 4.410 50 10 JIGE CCCCCn1c(=O)c(C(=O)NN=C(C)c2c(O)nc3ccccc3c2O)c(O)c2ccccc21 254876068 PBLCXWPMMATYBE-UHFFFAOYSA-N 474.517 4.011 50 10 JIGE C[C@@H](Br)C[C@@H]1CCCCN1C(=O)c1cc(I)ccc1O 312348936 IBKVYDFGYGKSDT-PWSUYJOCSA-N 452.130 4.165 50 10 JIGE O=S(=O)(c1cc(CCl)ccc1Br)N1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 687230842 GKKQJAFIIKBTPZ-HDICACEKSA-N 469.832 4.225 50 10 JIGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC1(CBr)CCCCCCC1 713480250 HUNMKQOKLRVRHK-UHFFFAOYSA-N 499.471 4.106 50 10 JIGE N#CCCn1cc(/C=C(/C#N)C(=O)NCc2cccc(Br)c2)c(-c2ccccc2)n1 914471542 AWXRTCYXWCWUAU-UYRXBGFRSA-N 460.335 4.450 50 10 JIGE O=C(NN=C(CSc1nc2ccccc2[nH]1)c1ccccc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1084257232 RGTGEQGWFVZTBF-UHFFFAOYSA-N 476.474 4.306 50 10 JIGE O=[N+]([O-])c1cc([C@@H]2CN(Cc3ccccc3)C[C@H]2CI)cc([N+](=O)[O-])c1 1614632782 FBRLICABURNEEV-QAPCUYQASA-N 467.263 4.154 50 10 JIGE CCOc1c(Br)cc(C=NNC(=O)COc2ccc(Cl)c(C)c2)cc1OC 1772753891 MEQYHPNGMIWDFO-UHFFFAOYSA-N 455.736 4.347 50 10 JIGE O=C(CCC1CCCCC1)NCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 1858958103 IXCWRVRNBUFKIH-UHFFFAOYSA-N 489.550 4.049 50 10 JIGE C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)N/N=C/c4ccc(Br)cc4F)c(=O)c23)C1 1860774195 QQCCSIOIAKCWHX-JOCAPRCESA-N 491.386 4.196 50 10 JIGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(F)c2)[C@H]1c1ccc(O)cc1O 1865681365 LGYFKOHNKSOKOW-QFIPXVFZSA-N 454.461 4.367 50 10 JIGE O=C(NCCNS(=O)(=O)c1ccccc1CCl)OCC1c2ccccc2-c2ccccc21 1960170621 HIRAUQWZQNVSEL-UHFFFAOYSA-N 470.978 4.242 50 10 JIGE O=C(CBr)c1cc(Br)cc(I)c1Br 2054855711 VXHVRRUWACCRKS-UHFFFAOYSA-N 482.735 4.394 50 10 JIGE C#CC[C@@](C)(CBr)CNC(=O)c1ccc(Br)cc1I 2142280927 KMCFUXGUXJUERK-AWEZNQCLSA-N 498.984 4.208 50 10 JIGE CO[C@H]1C[C@H](O[C@@H](CI)c2ccc(Br)cc2)C[C@H]1OC 2166412541 DQYNOLVTKUMXEV-XQLPTFJDSA-N 455.130 4.134 50 10 JIGE Cc1oc(CBr)cc1S(=O)(=O)N(C)C[C@@H]1CCCCN1Cc1ccccc1 2179813604 VNKLMBFOIGMTGI-SFHVURJKSA-N 455.418 4.158 50 10 JIGE CC1(C)OCCO[C@@H]1CO[C@@H](CI)c1ccc(Br)cc1 2186963788 NSEDGQHIWIUNAR-UONOGXRCSA-N 455.130 4.136 50 10 JIGE C=CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C(C)=C(C#N)C1=O 2314616579 FANMUJWIXSUSCW-UHFFFAOYSA-N 465.469 4.226 50 10 JIGE O=C(c1c(Br)cccc1Br)N1CC[C@H]2[C@H](CBr)[C@H]2C1 2333116138 WJDVPLBVTJFAOE-GUBZILKMSA-N 451.984 4.315 50 10 JIGE CCn1cnc(COc2c(Br)cc(Br)cc2CBr)n1 2341903394 PNDWNNRWLGSIQC-UHFFFAOYSA-N 453.960 4.297 50 10 JIGE O=C(c1ccc(F)cc1I)N1CC[C@@H]2CC[C@@H](Br)[C@H]1C2 2355760796 KOLVOESMDZJAHD-MRCXROJRSA-N 452.105 4.208 50 10 JIGE O=C(/C=C/c1cccc2ccccc12)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 13982246 NNVDLJBPODSJRR-OBGWFSINSA-N 494.576 4.441 50 10 JIGE C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)c1ccccc1I 14038522 WULJBGNFOGNYJP-HNNXBMFYSA-N 486.309 4.187 50 10 JIGE CCOc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(I)c1OC 33334262 FHWSLVNLYIFACD-SRZZPIQSSA-N 464.259 4.209 50 10 JIGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4OC)ccc32)cc1 38685698 RCWNCEHTOBYLBR-SANMLTNESA-N 472.497 4.296 50 10 JIGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)cc1 38700857 HRMSLHPJLCGQQV-XMMPIXPASA-N 494.459 4.017 50 10 JIGE Cc1c(C(=O)N2CCCc3ccccc32)oc2c1/C(=N/NC(=O)COc1ccccc1)CCC2 40816123 TVXCVGYYOWEEID-SGWCAAJKSA-N 457.530 4.417 50 10 JIGE Cc1cc(C)nc(SCc2ccc(C(=O)NNC(=O)C3(c4ccc(F)cc4)CC3)cc2)n1 71849015 CMBBWKSLBSJRLR-UHFFFAOYSA-N 450.539 4.018 50 10 JIGE C=CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)C1=O 101231098 ILECMLNIUMTXSF-HYARGMPZSA-N 465.469 4.226 50 10 JIGE CCc1cccc(OCC(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2OC)c1 206410561 AOZKAUBFPALDDJ-NDENLUEZSA-N 460.486 4.058 50 10 JIGE COc1cc(C=NNC(=O)CSc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1C#N 254468141 WJOCXQDEGXENKM-UHFFFAOYSA-N 476.514 4.296 50 10 JIGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2ccc(O)cc2F)C1 382725661 PZUIDBCZZIIBED-PBHICJAKSA-N 455.267 4.319 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2C[C@H](Br)C[C@@H]2C)cc1Br 385212440 DVHVOVQTBKQQDZ-DTWKUNHWSA-N 476.028 4.066 50 10 JIGE Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(-c3n[nH]c(C4CC4)n3)c2)c(C)n1C[C@H]1CCCO1 726765955 HCAYGFRDLWQZET-YOKWNPFVSA-N 456.550 4.492 50 10 JIGE O=C(NN=C1C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21)[C@@H](O)c1ccccc1 1083888947 GSLOIUFLKXBYLA-MHZLTWQESA-N 461.521 4.377 50 10 JIGE O=C(CSCc1cccc(Br)c1)NN=Cc1ccc(OC2CSC2)cc1 1083945426 ZQDQOLMDIWFXAZ-UHFFFAOYSA-N 451.411 4.327 50 10 JIGE Cc1ccc(C)c(N(CC(=O)NN=Cc2c(F)cccc2Cl)S(=O)(=O)c2ccccc2)c1 1084107003 ORVFFVQGAHYDHW-UHFFFAOYSA-N 473.957 4.442 50 10 JIGE O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)NN=Cc1c[nH]c2ccccc12 1084621008 NRPKSWSEGHOVML-UHFFFAOYSA-N 453.531 4.053 50 10 JIGE C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)NNC(=O)Nc1c(Cl)cc(Cl)cc1Cl 1155427361 JKPIODFYDSWTGW-SNVBAGLBSA-N 453.713 4.315 50 10 JIGE O=C(/C=C/c1ccc([N+](=O)[O-])s1)N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21 1860822613 IQWMDMLGWIIFHP-HIYNTPMFSA-N 466.906 4.390 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(F)cc2)[C@H]1c1cccc([N+](=O)[O-])c1 1865706236 QYWXQZNRVUZXCU-INIZCTEOSA-N 459.359 4.216 50 10 JIGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2)cc1OC 1865706645 BRDKGXQALPMZSI-SFHVURJKSA-N 456.424 4.186 50 10 JIGE COC(=O)c1ccccc1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccccc3OC)cs2)CC1=O 1872746905 FGBLSVBIZWPBPV-VKWHMPGMSA-N 475.526 4.451 50 10 JIGE Cc1cccc(C(=O)N(C)C[C@@H](Cl)COCc2ccccc2)c1I 1916355494 VFDPWCFVVSRURY-MRXNPFEDSA-N 457.739 4.496 50 10 JIGE CCc1cc(CBr)c(I)cc1I 2060222643 VUHHCSHYAPXASI-UHFFFAOYSA-N 450.883 4.353 50 10 JIGE CCCCCC[C@H]1[C@H]2C3=C(C[C@@]4(C)C(=O)O[C@@]2(OC)C4=C[C@@H]1CC[C@H](O)CCC)C(=O)OC3=O 2080450593 YOJPQRLCNIGWGF-MJSYDIEFSA-N 474.594 4.376 50 10 JIGE CCN(CCOCCBr)C(=O)c1cccc(Br)c1Br 2092340295 OLELUNJWIAHXQX-UHFFFAOYSA-N 457.988 4.085 50 10 JIGE Cn1cc([C@@H](Br)c2cc(Br)cc3c2OCC3)c(Br)n1 2116554810 NQXPATDCLPCXLQ-NSHDSACASA-N 450.956 4.364 50 10 JIGE CC(C)(C)[C@]1(CBr)CCN(C(=O)c2cc(I)sn2)C1 2120024516 BKPAOKJVNMMCCD-ZDUSSCGKSA-N 457.175 4.021 50 10 JIGE CC1(C)C[C@H](Br)C[C@H](NC(=O)Cc2ccccc2I)C1 2143873402 RCMOUDWVLIHWQE-OLZOCXBDSA-N 450.158 4.292 50 10 JIGE Cc1cc(S(=O)(=O)N2CCC[C@@H](N(C)Cc3ccccc3)C2)ccc1CBr 2179774218 CYFYXKBNXNDCBU-HXUWFJFHSA-N 451.430 4.175 50 10 JIGE O=S(=O)(c1ccc(F)c(CBr)c1F)N(Cc1ccccc1)C[C@@H]1CCCO1 2179859512 FJEQQTXTYHKVCL-HNNXBMFYSA-N 460.340 4.230 50 10 JIGE O=S(=O)(c1cc(CBr)cc(F)c1F)N1CC[C@@H](COCc2ccccc2)C1 2179859857 JXVXHSCHYNTFLI-OAHLLOKOSA-N 460.340 4.087 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N(C)C2(CCBr)CC2)cc1Br 2190076602 QQISINILRTZDQT-UHFFFAOYSA-N 490.055 4.458 50 10 JIGE C[C@H](Br)[C@H](NS(=O)(=O)c1c(Cl)cccc1Br)C(F)(F)F 2195317909 JMFXIMVPKULAMD-CDUCUWFYSA-N 459.509 4.095 50 10 JIGE O=C(c1ccc(F)cc1I)N1CCC[C@H](CCCBr)C1 2234181535 MAFPDZNXSARSLA-NSHDSACASA-N 454.121 4.458 50 10 JIGE O=C(NC[C@H](CBr)C1CCC1)c1ccc(Cl)c(I)c1 2268340726 BTHLSKYCMPRFFZ-NSHDSACASA-N 456.549 4.486 50 10 JIGE C[C@H](Br)CN(C1CCC1)S(=O)(=O)c1cc(Cl)c(Br)s1 2272434226 QTXKWLLUGSJKNA-ZETCQYMHSA-N 451.633 4.491 50 10 JIGE COc1ccc(-n2c(C)cc(C=C(C#N)C(=O)NC[C@H](O)c3ccc(F)c(F)c3)c2C)cc1 2297444512 JUDOZHZZEBTKPX-DEOSSOPVSA-N 451.473 4.138 50 10 JIGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCc2ccco2)cc1OC 2297488359 MXRZNKLHSYZYQC-UHFFFAOYSA-N 454.486 4.373 50 10 JIGE N#CC(=CNc1ccccc1[N+](=O)[O-])C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324599112 XOEZDKSJZDFGRO-UHFFFAOYSA-N 467.529 4.348 50 10 JIGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)/C(C#N)=C\c1ccccc1OC 6498133 ONMJZFNJNNVBRH-FVRCQLKHSA-N 497.507 4.423 50 10 JIGE Cc1cc(OCC(=O)NNC(=O)COc2ccc(Cl)cc2)c(C(C)C)cc1Br 12490265 WLIBDFIEPORVPC-UHFFFAOYSA-N 469.763 4.140 50 10 JIGE Cc1cc(OCC(=O)NNC(=O)c2cc(Br)c(Br)s2)cc(C)c1Cl 40947998 BFZOLCCCJSGEOH-UHFFFAOYSA-N 496.608 4.383 50 10 JIGE CCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2ccc3c(c2)OCCO3)cc1OC 96504414 HEQOSGWVROPANW-ZSOIEALJSA-N 459.296 4.173 50 10 JIGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C(C#N)=C\c2ccc(OCC)c(OC)c2)cc1 207132449 WSLQXLONMBOZPF-TZKOODLUSA-N 473.529 4.430 50 10 JIGE CC(=NNC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@H]2C)cc1)c1ccc(C)c([N+](=O)[O-])c1 254801253 UXSRFNCQDMJKET-HDICACEKSA-N 466.538 4.226 50 10 JIGE CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=C/C=C\c2cccc([N+](=O)[O-])c2)cc1 254836135 NCEIYLRLPNZOGY-NOPDOOKHSA-N 483.528 4.247 50 10 JIGE CCOc1cc([C@@H]2c3sc(=S)[nH]c3S[C@@H]3[C@H]4C[C@@H]([C@@H]5C(=O)OC(=O)[C@@H]54)[C@H]23)ccc1O 256027007 RYZGPIBTQOPVRB-XLHXWJOESA-N 461.586 4.098 50 10 JIGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2cccc([N+](=O)[O-])c2)C1 382710033 XHTVAAZZMIXXSZ-WMZOPIPTSA-N 466.275 4.382 50 10 JIGE FC(F)(F)Oc1cc(I)c(CBr)c(Br)n1 396180272 MLVNTOPAMRPWCB-UHFFFAOYSA-N 460.813 4.242 50 10 JIGE O=C(NC[C@@H]1CCC[C@H]1Br)c1ccc(I)c(Br)c1 721608289 GDPBXHDWZKDDMQ-VHSXEESVSA-N 486.973 4.347 50 10 JIGE O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(N(CCCl)CCCl)cc1 1084002625 LAOOXGWJJNCJDQ-LDADJPATSA-N 466.752 4.290 50 10 JIGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)NN=C(C)c1ccc(N)cc1 1084581946 HMHDXDQEFUXYJS-INIZCTEOSA-N 484.029 4.333 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 1255228653 RVYXGQIXHNGNKH-BJWYYQGGSA-N 461.694 4.413 50 10 JIGE C=CC[C@]1(C(=O)NNC(=O)Nc2ccc(Cl)cc2Cl)CCCN1C(=O)OC(C)(C)C 1467439305 QQFFQDXCXNXFSD-HXUWFJFHSA-N 457.358 4.492 50 10 JIGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Br)cc2)c1 1865692332 LIVUCUYIYMXYSE-FQEVSTJZSA-N 467.323 4.179 50 10 JIGE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C#N)[C@H]3c2cc(Br)ccc2O)cc1 1865697247 YITSQPUKCCAJBH-HXUWFJFHSA-N 451.324 4.235 50 10 JIGE CCCSc1ccccc1C(=O)NNC(=O)Cn1cnc2scc(-c3ccc(C)cc3)c2c1=O 1865845557 UYLYCXOHQPWNSD-UHFFFAOYSA-N 492.626 4.397 50 10 JIGE COc1ccc(/C=C(\C#N)C(=O)NC[C@H](c2c(F)cccc2Cl)N2CCCC2)cc1OC 1866130098 ADTPJCKDSOYEGT-KEWOFRHOSA-N 457.933 4.357 50 10 JIGE Brc1cc(I)cnc1N1CC[C@H](Br)[C@@H]2CC[C@H]21 2016028303 OVMYZPANUHHCEJ-ATZCPNFKSA-N 471.962 4.201 50 10 JIGE CCN(C[C@@](C)(CI)OCCN1CCCCCC1)C(=O)OC(C)(C)C 2055654644 KXTADMXKNFVPMV-LJQANCHMSA-N 468.420 4.330 50 10 JIGE Cn1ncc(Br)c1[C@H](Br)c1cc(Br)c2c(c1)CCO2 2090465521 XJCIBDRPQSSDIB-LLVKDONJSA-N 450.956 4.364 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1CC[C@]12C[C@@H](CBr)C2 2125794067 VEOPXCWEHIPZMP-KMHCFJFGSA-N 454.533 4.334 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1CC[C@H](Br)[C@@H]2CC[C@H]21 2133721216 BSLBZAPVAHKXBM-OUJBWJOFSA-N 454.533 4.333 50 10 JIGE C[C@H](Cl)[C@H](NC(=O)c1ccc(Br)cc1I)C(F)(F)F 2142282445 DJINVRNBBQWBFI-CDUCUWFYSA-N 470.454 4.342 50 10 JIGE Clc1cc(CN2CC3(C2)OCCC[C@@H]3Br)ccc1I 2142943815 OVKXFEFCDQCWRA-ZDUSSCGKSA-N 456.549 4.073 50 10 JIGE C[C@H]1CN(C(=O)c2c(Br)cccc2Br)C[C@H](CCBr)O1 2179382577 JSXYILJPAILVDN-UWVGGRQHSA-N 469.999 4.226 50 10 JIGE CC1(C)CN(S(=O)(=O)c2ccccc2CBr)CCCN1Cc1ccccc1 2193721180 IAHJTOTXIUOBQG-UHFFFAOYSA-N 451.430 4.257 50 10 JIGE C=C[C@]1(CBr)COCCN1C(=O)c1cccc(Br)c1Br 2199853817 YHGQJBMVTMWPDO-AWEZNQCLSA-N 467.983 4.004 50 10 JIGE O=C(c1sccc1I)N1CC[C@@H]2[C@@H](Br)CCC[C@@H]2C1 2225380056 HRLJBNYBGADAQZ-VWYCJHECSA-N 454.171 4.378 50 10 JIGE O=S(=O)(c1cc(CCl)oc1Br)N1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 2234723790 XBVMTWPPWFDYIR-IYBDPMFKSA-N 473.820 4.209 50 10 JIGE O=C(N[C@@H](CBr)CC(F)F)c1ccc(Cl)c(I)c1 2256386622 OUPGOEQODHSSLH-SSDOTTSWSA-N 452.464 4.093 50 10 JIGE O=C(N[C@H](CBr)CC(F)(F)F)c1ccc(Cl)c(I)c1 2268341610 PSNLKYZVJVIVEY-ZETCQYMHSA-N 470.454 4.390 50 10 JIGE BrC[C@@]12CCO[C@@H]1CN(Cc1cc(Br)ccc1Br)C2 2278944125 IMULOVPNDFICMT-ZIAGYGMSSA-N 454.000 4.197 50 10 JIGE Cc1occc1C(=O)C(C#N)=CN=[S@](C)(=O)c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 2297565007 RWLXQOBGFUFBBK-JGCGQSQUSA-N 452.448 4.431 50 10 JIGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(OC)cc4)ccc32)cc1 2314634837 SJWIHMJYFCJFKS-AREMUKBSSA-N 482.492 4.319 50 10 JIGE CCOC(=O)N1CCC(NC=C(C#N)C(=O)Nc2ccccc2Sc2ccccc2)CC1 2325339459 HYUIECAIFOTGLT-UHFFFAOYSA-N 450.564 4.394 50 10 JIGE O=C(c1cc(Br)ccc1Br)N1CC[C@H]2[C@H](CBr)[C@H]2C1 2333117687 QJNKSRVWAXYEMS-DLOVCJGASA-N 451.984 4.315 50 10 JIGE CC1(C)OCCN(Cc2ccc(Cl)cc2I)[C@@H]1CBr 2341050071 MXIWTTLLZFDVBP-CYBMUJFWSA-N 458.565 4.319 50 10 JIGE CC1(C)OCCN(Cc2ccc(I)c(Br)c2)[C@@H]1CCl 2349832898 WJSSDPLITBGKIW-CYBMUJFWSA-N 458.565 4.272 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CCN(Cc2ccccc2)CC1(C)C 2350358990 ZRYXZAAXAWXTIP-XMMPIXPASA-N 497.727 4.238 50 10 JIGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N(CCBr)C1CCCCC1 2364202656 VISWIRUSZYVMOC-UHFFFAOYSA-N 499.471 4.202 50 10 JIGE CC(C)COc1nc(-c2ccc3c(c2)OCO3)n(-c2ccc(NC(=O)C(Cl)Cl)cc2)n1 697067 CRKMRLXIOJGQJH-UHFFFAOYSA-N 463.321 4.440 50 10 JIGE CCOc1ccc(/C=C2/C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1OCC 38608537 VJWCQJZDNWLJBZ-VXLYETTFSA-N 460.486 4.005 50 10 JIGE C[C@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc([N+](=O)[O-])c1 38653885 KLBSYLRMAMOJOC-LFVRLGFBSA-N 475.432 4.325 50 10 JIGE COc1cc(OC)cc(C(=O)N/N=C/c2ccc(OC)c(COc3ccc(NC(C)=O)cc3)c2)c1 59120156 LYJVWTSFFGIXPK-JFLMPSFJSA-N 477.517 4.014 50 10 JIGE COc1ccc(CCC(=O)N/N=C2\C(=O)N(Cc3ccccc3Cl)c3ccccc32)c(O)c1 59146857 SOLZKIVKWHEIOX-COOPMVRXSA-N 463.921 4.054 50 10 JIGE O=C(NC1CCC(Br)CC1)c1cc(I)ccc1Br 232462018 VROGJFQNIJUCFR-UHFFFAOYSA-N 486.973 4.490 50 10 JIGE CC(CC(=O)Nc1ccc(Br)cc1)=NNC(=O)COc1ccc(Br)cc1C 252461995 OZXCANLAIPZYDP-UHFFFAOYSA-N 497.187 4.420 50 10 JIGE COc1ccccc1N(CC(=O)NN=Cc1ccccc1C(F)(F)F)S(=O)(=O)c1ccccc1 254505954 BYPZBGWRGNCBHS-UHFFFAOYSA-N 491.491 4.060 50 10 JIGE CCOC(=O)C1CCN(C(=O)Nc2ccc(C(=O)Nc3ccc(SC#N)cc3)cc2)CC1 586659135 PENPNCNXKXFEPR-UHFFFAOYSA-N 452.536 4.319 50 10 JIGE COc1ccc(C(=O)NNc2ccc(F)c(F)c2F)cc1S(=O)(=O)N1CCCc2ccccc21 728716831 GEPRGNPTGPDXKC-UHFFFAOYSA-N 491.491 4.011 50 10 JIGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 746183139 XGXIUVDEOGBNEE-UHFFFAOYSA-N 482.917 4.122 50 10 JIGE COCc1ccc(CNC(=O)COC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(F)cc3)c2C)cc1 918957031 HZLTWSMMOVFDJB-QRVIBDJDSA-N 475.520 4.146 50 10 JIGE O=C(CNc1ccc(I)cc1)NN=C(c1ccccc1)c1cccs1 1083994103 HWUSRYGVCMJRQL-UHFFFAOYSA-N 461.328 4.333 50 10 JIGE Cc1ccccc1OCC(=O)NN=Cc1ccc(SCC(=O)Nc2c(C)cccc2C)o1 1084283343 CCKBCXVZGOYNEV-UHFFFAOYSA-N 451.548 4.465 50 10 JIGE CCOc1cc(C=NNC(=O)c2ccc(C(C)(C)C)cc2)cc(I)c1O 1084315471 YIOPROAKTCXSOC-UHFFFAOYSA-N 466.319 4.457 50 10 JIGE Cc1cc(OCC(=O)NN=Cc2ccc(Br)cc2)nc(SCc2ccccc2)n1 1084328484 DBYNKBRHJGRKGR-UHFFFAOYSA-N 471.380 4.369 50 10 JIGE O=C(CCCSc1nc2ccc([N+](=O)[O-])cc2s1)NN=Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1084462941 ITDOGFHACGAPTD-UHFFFAOYSA-N 490.479 4.044 50 10 JIGE O=C(NN=C1C(=O)N(CCOc2ccccc2)c2ccccc21)c1cccc(Br)c1 1084559423 OGHASOBWHXEYGQ-UHFFFAOYSA-N 464.319 4.009 50 10 JIGE O=C(Cc1cc(N[C@H]2NC=Nc3cc(OCCCCl)ccc32)n[nH]1)Nc1cccc(F)c1 1772508599 ZULXEWQUWDNGCT-JOCHJYFZSA-N 456.909 4.111 50 10 JIGE COC[C@H](C)NC(=O)c1oc2c(c1C)C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772747539 CYDSWYPXHMFDES-SFHVURJKSA-N 473.573 4.341 50 10 JIGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2F)[C@H]1c1ccc(O)c(O)c1 1865680272 FPMPXPMVIAZQTH-QFIPXVFZSA-N 454.461 4.367 50 10 JIGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@H](c2cccc(OC)c2OC)C(C#N)=C(N)O3)cc1 1865701160 NTBMXLHOPIWVEI-JOCHJYFZSA-N 481.512 4.178 50 10 JIGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)cc(OC)c1O 1865715074 VHXBXDHVHMLDRH-KRWDZBQOSA-N 490.413 4.030 50 10 JIGE O=C(NC[C@H](Br)CBr)c1c(Br)cccc1Br 1981562752 POQNYRBOPQNVJK-ZCFIWIBFSA-N 478.804 4.100 50 10 JIGE O=C(Cl)c1cc(I)cc(I)c1OC(F)(F)F 2060019735 YAPHZHMJIWNTMG-UHFFFAOYSA-N 476.357 4.173 50 10 JIGE CCN(C[C@](C)(CI)O[C@H]1CCN2CCC[C@@H]2C1)C(=O)OC(C)(C)C 2078758896 MMBGVYAPJCVDJI-GJYPPUQNSA-N 466.404 4.081 50 10 JIGE C[C@H]1CCN(C(=O)c2ccc(Br)cc2I)[C@@H]1CBr 2086146495 ALIOLSGFNTYWKN-QPUJVOFHSA-N 486.973 4.299 50 10 JIGE C[C@]12CN(C(=O)c3ccc(I)c(Br)c3)C[C@]1(CCl)C2 2109189010 ZFULWKXLYITNHM-UONOGXRCSA-N 454.533 4.145 50 10 JIGE Brc1cccc(Br)c1CN1CCO[C@@H]2C[C@H](Br)C[C@@H]21 2128883635 KBUSERHFYLMJAH-BIGNPOOSSA-N 454.000 4.338 50 10 JIGE O=C(N[C@@H]1CC[C@@H]2C[C@]21CCl)c1cc(I)ccc1Br 2132113621 XRTDUXHSHCOEQN-RGZBUGHASA-N 454.533 4.191 50 10 JIGE C=C[C@]1(CBr)COCCN1Cc1cccc(Br)c1Br 2135108351 MTTNGWPRRQQUOM-AWEZNQCLSA-N 454.000 4.364 50 10 JIGE CN(C(=O)c1ccc(Br)cc1I)[C@H](CCCl)C(F)F 2142277253 NFUSAWKCGOUAED-SNVBAGLBSA-N 466.491 4.388 50 10 JIGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CC[C@@H]2C[C@H](Br)CC[C@H]21 2143978256 XROIWHFGNGCSBV-NQMVMOMDSA-N 463.644 4.491 50 10 JIGE C[C@H]1CCN(S(=O)(=O)c2ccc(CCl)c(Br)c2)CCN1Cc1ccccc1 2144842532 XDAPCQQIZLMKQB-INIZCTEOSA-N 471.848 4.473 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1CC(F)(F)C[C@H]1CBr 2159049981 RFXLENREKPUENC-QMMMGPOBSA-N 497.981 4.005 50 10 JIGE CN([C@@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]21)S(=O)(=O)c1cc(CBr)co1 2190548495 SWDFXFLLRDMORQ-INDMIFKZSA-N 454.386 4.179 50 10 JIGE CCC[C@@H]1CN(C(=O)c2cc(I)ccc2F)C[C@H]1CBr 2205701975 HTFBJAZPQDVVQX-GHMZBOCLSA-N 454.121 4.314 50 10 JIGE Brc1cc(I)cnc1N1C[C@@H](Br)CCC12CC2 2214757327 ADKYCFPQTFPELZ-QMMMGPOBSA-N 471.962 4.345 50 10 JIGE CCC[C@H]1CN(C(=O)c2cc(C)ccc2I)C[C@@H]1CBr 2240903748 PBKVBWZRMKKAHO-STQMWFEESA-N 450.158 4.483 50 10 JIGE CC[C@H]1[C@@H](Br)CCN1c1ncc(I)cc1Br 2245105753 CFWZYLYUPPBYIF-WPRPVWTQSA-N 459.951 4.201 50 10 JIGE N#CC(=Cc1c(Oc2ccc(Cl)cc2)nc2ccccn2c1=O)C(=O)NCCc1ccccc1 2296541870 BWHUCKVLYIJFAX-UHFFFAOYSA-N 470.916 4.406 50 10 JIGE CN1C(=C(C#N)C(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)Nc2ccccc21 2297477603 GNTZHPAHOUZXBC-UHFFFAOYSA-N 450.564 4.120 50 10 JIGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1cc(Br)ccc1O 2303701250 XOWFOZXQNJKQMP-HNNXBMFYSA-N 457.162 4.255 50 10 JIGE Cc1cc(N2C(=O)NC(=O)C(=Cc3ccc(N(C)CCCl)cc3)C2=O)ccc1Br 2313548038 JNFVXFUZDQOBPC-UHFFFAOYSA-N 476.758 4.099 50 10 JIGE FC(F)(CI)C(F)(F)CNCc1ccc(I)cc1 2314944054 HODSQCGJSPNBKT-UHFFFAOYSA-N 487.016 4.086 50 10 JIGE N#CC(=C(O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2ccc(F)c(F)c2)cs1 2331352325 IHHBQAHUMRRCDR-UHFFFAOYSA-N 468.397 4.085 50 10 JIGE C[C@@H](Br)C[C@@H]1CCCCN1C(=O)c1c(Br)c(Br)nn1C 2364031281 IEEVCYJASDESGN-BDAKNGLRSA-N 472.019 4.113 50 10 JIGE CC(C)(CBr)[C@@H]1CCCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364212854 AYVSTMBKQFMGRE-IBGZPJMESA-N 499.471 4.058 50 10 JIGE ClC[C@@]12CCCO[C@H]1CN(Cc1ccc(I)c(Br)c1)C2 2377317111 ONJKLCFAFXOUPE-LSDHHAIUSA-N 470.576 4.274 50 10 JIGE CC(C)(C)OC(=O)N[C@@]12CCC(F)(F)C[C@@H]1CN(C[C@@]1(CBr)CC1(F)F)C2 2379987592 LLQWQALSLQTTEX-UHOFOFEASA-N 459.322 4.421 50 10 JIGE CC1=C(C#N)C(=O)N(CCCO)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1 13037745 TWPMYGLQEBTKPM-XYGWBWBKSA-N 496.567 4.301 50 10 JIGE CCCCCCOc1ccc(C(=O)NNC(=O)COc2ccc(C(=O)OCCC)cc2)cc1 14028444 RQSYJFQORYELID-UHFFFAOYSA-N 456.539 4.053 50 10 JIGE Cc1cc(OCC(=O)NNC(=O)c2cccc(OCCOc3ccccc3)c2)ccc1Br 14040919 GPQHHUZXAPWKQP-UHFFFAOYSA-N 499.361 4.055 50 10 JIGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C\c2ccc(OC)c(OC)c2)c(OCC)c1 35175092 BGXWNEHUNSNHCI-CSKCXYSASA-N 451.475 4.191 50 10 JIGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4)ccc32)c1 38659805 MOXOZRWGUOCZTG-SANMLTNESA-N 472.497 4.215 50 10 JIGE O=C(N/N=C\c1cc(Br)ccc1OC(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 59500441 NDGJEAXLPPKGML-QRVIBDJDSA-N 468.263 4.340 50 10 JIGE O=C(COc1ccc(Cl)cc1)NN=Cc1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 252634640 WPSGBONJIAJLIS-UHFFFAOYSA-N 470.825 4.478 50 10 JIGE O=C(c1ccc(F)cc1I)N1CCC(CCCBr)CC1 401078683 PXYBZCVJIZOQEA-UHFFFAOYSA-N 454.121 4.458 50 10 JIGE C[C@H]1CC[C@H](Br)CN1C(=O)c1ccc(I)c(Br)c1 721615027 BZSDCSPJNBTVEZ-WPRPVWTQSA-N 486.973 4.442 50 10 JIGE COc1cc(C=NNC(=O)CCc2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1772720584 SBKDGNCCDJCGMG-UHFFFAOYSA-N 492.528 4.023 50 10 JIGE COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)cc2)cc1OC 1865711169 RIEWHLFIASBFER-OAQYLSRUSA-N 452.898 4.078 50 10 JIGE COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2)cc1OC 1865712242 SZKPPXOWQYVXCY-GOSISDBHSA-N 472.423 4.135 50 10 JIGE O=S(=O)(C[C@H](Br)c1cc(Br)c(Br)s1)N1CCCC1 2028953918 UVZSJSRDCVRZSQ-QMMMGPOBSA-N 482.057 4.135 50 10 JIGE CC(N)=C(C#N)C(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1F)CC[C@@H](C)C3 2042438134 LPEFZERTZJDBEJ-GFCCVEGCSA-N 468.579 4.129 50 10 JIGE CCN(C[C@](C)(CI)OC[C@H]1CC12CCOCC2)C(=O)OC(C)(C)C 2077642404 BBDIODWISHHQSW-QAPCUYQASA-N 467.388 4.270 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CCC[C@@H](CBr)C1 2086147137 JSZZOALCFGVTNJ-VIFPVBQESA-N 486.973 4.301 50 10 JIGE C[C@@H](CBr)N1CCN(Cc2c(Br)cccc2Br)CC1 2113066759 RRSJRWVNXCVBCA-NSHDSACASA-N 455.032 4.113 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CC[C@H](Br)[C@H]2CC[C@H]21 2133723563 QJRBIXIBKDKVEN-JIMOISOXSA-N 498.984 4.442 50 10 JIGE C#CC[C@@](C)(CCl)CNC(=O)c1ccc(I)c(Br)c1 2140709799 REYPSNHNYBIYJW-AWEZNQCLSA-N 454.533 4.052 50 10 JIGE CCCN1CC[C@H]([C@H](Cl)c2ccc(I)c(Br)c2)S1(=O)=O 2145782732 XGTTVEMGUQAZHB-CHWSQXEVSA-N 492.604 4.148 50 10 JIGE O=C(c1csc(Br)c1Br)N1C[C@H](Br)C2(CCOCC2)C1 2174373696 KPAYLDKQKNNNEW-VIFPVBQESA-N 488.039 4.289 50 10 JIGE CN(C[C@H]1CCCCN1Cc1ccccc1)S(=O)(=O)c1ccccc1CBr 2179812135 MBMZCNDCDDTCOY-HXUWFJFHSA-N 451.430 4.257 50 10 JIGE Cc1cc(S(=O)(=O)N2CC[C@@H](COCc3ccccc3)C2)cc(CBr)c1F 2179861652 KMEYADQUWICSEX-QGZVFWFLSA-N 456.377 4.256 50 10 JIGE ICC1(OCCOCCOCCOCc2ccccc2)CCCCC1 2220481561 FBBHIGBBQNMEBQ-UHFFFAOYSA-N 462.368 4.391 50 10 JIGE COc1ccc(C(=O)NCCSSCCNC(=O)OC(C)(C)C)c(Br)c1 2232085307 WXBHNBXBDOBZCQ-UHFFFAOYSA-N 465.435 4.094 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@@H](Br)CCC12CC2 2235748810 CYEZAKRPRLMJBJ-JTQLQIEISA-N 488.039 4.292 50 10 JIGE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](C(F)(F)F)CCN1CCCCI 2248248740 PZMHQDCJVIJPHQ-QWHCGFSZSA-N 464.310 4.369 50 10 JIGE O=C(c1cc(Br)c(F)cc1Cl)N1C[C@H](Br)[C@H](Br)C1 2258088264 PVHBAQALPJWPEY-OCAPTIKFSA-N 464.354 4.224 50 10 JIGE COc1cc(OC)c([C@H](Br)c2nn(C)cc2Br)cc1Br 2295437570 OMPLSTJZXAWGPS-LBPRGKRZSA-N 468.971 4.447 50 10 JIGE O=C(C=Cc1ccccc1)NCC(=O)NN=Cc1cc(Br)ccc1OCc1ccccc1 2297510132 DKCHNXBEDVMAPJ-UHFFFAOYSA-N 492.373 4.308 50 10 JIGE BrC[C@@]12C[C@@H]1CN(Cc1ccc(I)c(Br)c1)C2 2306221867 MZHBSSHNJNERQI-ZWNOBZJWSA-N 470.974 4.271 50 10 JIGE COc1ccc(CCN2C(=O)C(=CNc3ccccc3Br)C(C)=C(C#N)C2=O)cc1 2314579129 KHXRONBZHSLZLX-UHFFFAOYSA-N 466.335 4.205 50 10 JIGE O=C(N[C@H]1CC[C@@H]2C[C@]12CCl)c1ccc(Br)cc1I 2333349986 ALDVHFUPUQLMCR-CWONEXCFSA-N 454.533 4.191 50 10 JIGE Clc1cc(CN2CC3(CC[C@H](CBr)O3)C2)ccc1I 2336705010 QNZCAHJUVCFCIZ-LLVKDONJSA-N 456.549 4.073 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1CCC(F)(CBr)CC1 2340063490 KWRGYZNQKUSQHD-UHFFFAOYSA-N 460.512 4.284 50 10 JIGE O=C(c1cc(I)ccc1F)N1CC[C@@H]2CC[C@@H](Br)[C@H]1C2 2355761257 RHVKJRCRPZHMNH-MRCXROJRSA-N 452.105 4.208 50 10 JIGE O=S(=O)(C[C@H](Br)c1ccc(Cl)cc1I)N1CCCCC1 2365558657 KHFUCKHOADCHTC-LBPRGKRZSA-N 492.604 4.196 50 10 JIGE CCOc1cc(C=NNC(N)=O)cc(Br)c1OCC(=O)Nc1cccc2ccccc12 13108716 HYKMCSRHXOSJAQ-UHFFFAOYSA-N 485.338 4.021 50 10 JIGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 14031266 HIEQBKXYLPCXTD-UHFFFAOYSA-N 484.405 4.277 50 10 JIGE CCCOc1ccccc1C(=O)NC(=S)NNC(=O)CCCOc1ccc(Cl)cc1Cl 14037102 VOPHIMVFRLHPPO-UHFFFAOYSA-N 484.405 4.277 50 10 JIGE CCCOc1ccc(/C=N/NC(=O)CCC(=O)Nc2ccc(Br)cc2)cc1OC 20595656 ZSCZMUWSUVJHRZ-OEAKJJBVSA-N 462.344 4.116 50 10 JIGE COC(=O)c1ccccc1N(C)C(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(F)cc1)CCC2 40811861 FGKCXEHRAUJOFH-TURZUDJPSA-N 477.492 4.261 50 10 JIGE Cc1c(C(=O)Nc2ccccn2)oc2c1/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 40813487 HYYHLMKDDHHFAZ-CVKSISIWSA-N 467.869 4.267 50 10 JIGE CCOc1ccc(N(C(=O)/C(C#N)=C/c2ccc(OC)cc2)S(=O)(=O)c2ccccc2)cc1 40971387 ZOMJKCZUQRUFEW-LVZFUZTISA-N 462.527 4.423 50 10 JIGE C/C(=N/NC(=O)CSc1nnc(CCc2ccccc2)n1-c1ccccc1)c1ccc2c(c1)OCO2 58989975 ZQTVOZPZPAWERO-USHMODERSA-N 499.596 4.414 50 10 JIGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C/Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 101234429 DUXNOYXWFPXWAO-QGOAFFKASA-N 470.407 4.361 50 10 JIGE COc1ccc([C@@H](Br)c2cnn(C)c2I)c(OC)c1Cl 379194615 FFOJSPRSHPPUGQ-SNVBAGLBSA-N 471.520 4.180 50 10 JIGE O=C(CBr)c1c(Br)cc(OC(F)F)cc1I 575682244 LYJFVJRGGCPRMA-UHFFFAOYSA-N 469.845 4.233 50 10 JIGE O=[N+]([O-])c1ccc([C@H]2CN(Cc3ccccc3)C[C@@H]2CI)cc1[N+](=O)[O-] 725388912 GDVKEBSJVLTNHL-JKSUJKDBSA-N 467.263 4.154 50 10 JIGE CC(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)cc1 761396163 DFAZOHZDWICXHS-OSVNEOKWSA-N 481.512 4.144 50 10 JIGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)OCc2ccc(Cl)cc2Cl)cc1 782550245 AKYJBIMZPHILAP-YVLHZVERSA-N 499.354 4.391 50 10 JIGE CCc1ccc(C(=O)NNC(=O)/C=C\c2csc(N(C(C)=O)c3ccccc3F)n2)cc1 1087353379 GNJTXHFTHXMRFB-SEYXRHQNSA-N 452.511 4.004 50 10 JIGE CN(C)c1ccc([C@@H](NC(=O)/C(C#N)=C/c2ccc(Br)cc2)c2nccn2C)cc1 1866129003 XSWFLNVGUCKXAM-IYYMRFBLSA-N 464.367 4.061 50 10 JIGE O=C(N[C@H]1C[C@@H]([C@H](F)CCl)C1)c1ccc(I)c(Br)c1 1906416524 KTHUYSWQXFNYQJ-WCABBAIRSA-N 460.512 4.139 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCCN(C(=O)OC(C)(C)C)C12CC2 1988952993 KZHKVDXKNTTWMW-MRXNPFEDSA-N 461.694 4.414 50 10 JIGE O=C(N[C@H](CBr)CC1CC1)c1ccc(I)c(Br)c1 2029976796 GJDZSLRIVKDMBR-JTQLQIEISA-N 486.973 4.347 50 10 JIGE O=C(N[C@@H]1CCC[C@H](Br)C1)c1ccc(Br)cc1I 2086152314 ZRTFZODEEYLYQV-WCBMZHEXSA-N 486.973 4.490 50 10 JIGE C[C@H]1C[C@H](Br)CCN(S(=O)(=O)c2cc(Cl)c(Br)s2)C1 2103289173 WRYCHMVMMUSLLA-JGVFFNPUSA-N 451.633 4.348 50 10 JIGE Cn1cc([C@H](Br)c2cc(Br)c3c(c2)CCO3)c(Br)n1 2116550997 BAVPAOAZAHMHAT-LLVKDONJSA-N 450.956 4.364 50 10 JIGE CC(C)(C)[C@@]1(CBr)CCN(C(=O)c2cc(I)sn2)C1 2120024515 BKPAOKJVNMMCCD-CYBMUJFWSA-N 457.175 4.021 50 10 JIGE O=C(c1cc(Br)cc(Br)c1)N1C[C@@H]2CC(Br)C[C@H]2C1 2128654090 BLDFQJLOOLGFQS-UWVGGRQHSA-N 451.984 4.457 50 10 JIGE C[C@](CBr)(NS(=O)(=O)c1c(Cl)cccc1Br)C(F)(F)F 2161377144 SOGOKAPDKFBJDQ-SECBINFHSA-N 459.509 4.097 50 10 JIGE Cc1c(Br)cc(CBr)cc1S(=O)(=O)N(C)C[C@H]1C[C@@H]1Br 2196936160 QEMMCOVRWYYOPY-PWSUYJOCSA-N 490.055 4.056 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H](F)C[C@H](Br)C1 2219186362 PGEITGKDHBWRPT-IUCAKERBSA-N 490.936 4.001 50 10 JIGE O=S(=O)(c1ccsc1CBr)N1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 2226340634 CGCAUFHMZLQVGI-CALCHBBNSA-N 455.443 4.071 50 10 JIGE COc1cc(C=C(C#N)C(=O)N[C@@H]2CCCO2)cc(Br)c1OCc1ccccc1 2297534037 JMGXVYISDLUKHD-FQEVSTJZSA-N 457.324 4.196 50 10 JIGE N#CC(=C(O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1nc(-c2cccc(Cl)c2)cs1 2331294262 IQRFELSGSWHCMP-UHFFFAOYSA-N 466.862 4.461 50 10 JIGE Cc1sc(C(=O)NCC(F)(F)C(F)(F)CI)cc1Br 2336527226 NSOLFNJFAYBULP-UHFFFAOYSA-N 474.055 4.254 50 10 JIGE Cl[C@@H]1CO[C@@]2(CCN(Cc3ccc(I)c(Br)c3)C2)C1 2349836198 ZAMIQYYRAMOOSB-FZMZJTMJSA-N 456.549 4.026 50 10 JIGE C=CC[C@H](Br)[C@@H]1CCN1S(=O)(=O)c1cc(Br)ccc1Br 2360965487 XJOPDPSIQJLBKG-JQWIXIFHSA-N 488.039 4.314 50 10 JIGE COc1ccc(OC)c([C@@H]2C(C#N)=C3N=C(N)c4ccccc4N3C3=C2C(=O)CC(C)(C)C3)c1 3654511 ORQYSOSVBOCPJG-HSZRJFAPSA-N 454.530 4.405 50 10 JIGE O=C(CCC(=O)Nc1ccccc1Cl)NNC(=O)c1ccccc1OCCc1ccccc1 10509136 YNVGPXXRXLXCNJ-UHFFFAOYSA-N 465.937 4.141 50 10 JIGE CC(C)CC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)cc1 13979002 QAWCQZLSSCRWRW-UHFFFAOYSA-N 474.586 4.288 50 10 JIGE CCOc1cc(C=NNC(=O)COc2ccc(Cl)cc2)ccc1OS(=O)(=O)c1ccccc1 15985981 GDMCLJAXLQBOAD-UHFFFAOYSA-N 488.949 4.036 50 10 JIGE aggregator C=CCc1cc(C(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)cc(OC)c1OC 17200699 RSEQBBAAOLLJCW-UHFFFAOYSA-N 464.493 4.225 50 10 JIGE Cc1nc(-c2cccc(F)c2)nc(N2CCN(C(=O)[C@H](C)Cl)CC2)c1Cc1ccccc1 35890461 FPOGCJWAPJAGCV-KRWDZBQOSA-N 452.961 4.458 50 10 JIGE COC(=O)c1ccc(Oc2ncnc(NNC(=O)c3ccc(Cl)cc3Cl)c2[N+](=O)[O-])cc1 40587845 FCGASEOZLUVJRL-UHFFFAOYSA-N 478.248 4.027 50 10 JIGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 40926355 LONGHWXHAREVQP-WOJGMQOQSA-N 461.430 4.029 50 10 JIGE O=C(CSc1nnc(CNc2ccccc2)n1-c1ccccc1)N/N=C/c1ccc(F)c(F)c1 59261874 PVXFCCGXKMFBQI-CCVNUDIWSA-N 478.528 4.400 50 10 JIGE COC(=O)c1sc(N/C=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)c(C(=O)OC)c1C 102578681 KXRCVNLHASMQKT-MDWZMJQESA-N 483.527 4.459 50 10 JIGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)/C(C#N)=C/c1ccc(OC)cc1 206696906 FDCIIJQZVQYTEA-KMNNFWAFSA-N 497.507 4.423 50 10 JIGE COc1ccc(C=NNC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2Cl)c(OC)c1 252631875 VNMHHLZVQQSNBS-QTWMTRCJSA-N 469.950 4.340 50 10 JIGE CC(C=NNC(=O)CCc1ccc(OC(C)C)cc1)=NNC(=O)CCc1ccc(OC(C)C)cc1 254756659 ZAGVBWVIMGGXBV-UHFFFAOYSA-N 480.609 4.421 50 10 JIGE CC[C@H](NS(=O)(=O)c1cc(Br)ccc1Br)[C@@H](C)Br 386675699 HEUDEKNOZISCFA-XCBNKYQSSA-N 464.017 4.052 50 10 JIGE C[C@H]1CC[C@@H](CBr)CN1S(=O)(=O)c1cc(Br)ccc1Br 688693321 OJZJJXZSLBUNEH-UWVGGRQHSA-N 490.055 4.396 50 10 JIGE C[C@H](CCCBr)NC(=O)c1ccc(I)c(Br)c1 721593807 LUGOLEKZTUVVAD-MRVPVSSYSA-N 474.962 4.347 50 10 JIGE C[C@H](Br)CCCNC(=O)c1ccc(I)c(Br)c1 721594627 QFKKJCLOVYYUCR-QMMMGPOBSA-N 474.962 4.347 50 10 JIGE CC(C)(C)c1ccc(C(=O)NNC(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)F)cc1 730517081 RHGUSICQECUHBO-UHFFFAOYSA-N 465.863 4.312 50 10 JIGE COc1cccc(C(=O)COC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)c1 782090366 KOOWCWVJSYRHDN-UNOMPAQXSA-N 474.904 4.459 50 10 JIGE CCCOc1c(Br)cc(Br)cc1C=NNC(=O)COc1ccc(C#N)cc1 916299989 GNQYLYNGTQBPSG-UHFFFAOYSA-N 495.171 4.401 50 10 JIGE NNC(=O)/C=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1 1081475887 IPEQVHHOXLRJFY-UTCJRWHESA-N 463.102 4.180 50 10 JIGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(C)n(-c3ccc(NC(C)=O)cc3)c2C)cc1 1084032882 SVESONXTEJNUES-SANMLTNESA-N 476.577 4.415 50 10 JIGE CC(C)(C)SCC(=O)NN=C1C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 1084115605 JXMRKIICQHVJDV-UHFFFAOYSA-N 474.424 4.390 50 10 JIGE O=C(NN=C1C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21)c1ccc(F)cc1 1084462017 KIHOOAQABTXYMT-UHFFFAOYSA-N 470.273 4.408 50 10 JIGE C#Cc1cccc(NC(=S)NNC(=O)c2ccc(Oc3cccc(Cl)c3Cl)nn2)c1 1176933986 XQIQUUFHBGMBII-UHFFFAOYSA-N 458.330 4.188 50 10 JIGE C/C(=C/c1ccccc1Cl)C(=O)NNc1nc2ccccc2c(=O)n1CCCOC(C)C 1617518861 AWLXTCCECKUOCO-ICFOKQHNSA-N 454.958 4.412 50 10 JIGE COc1ccc(CCNC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(C)cc2)CCC3)cc1OC 1772744282 BBSVRLCWGMPTOY-UHFFFAOYSA-N 489.572 4.357 50 10 JIGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1cc(OC)c(O)c(OC)c1)C(C#N)=C(N)O2 1865714515 MEQKTJZESRULAA-OAQYLSRUSA-N 480.952 4.478 50 10 JIGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cc(-c3cccnc3)[nH]n2)cc1 1867158425 DWIMDDYGOMLUJG-JOCHJYFZSA-N 468.542 4.025 50 10 JIGE Cc1nnc(N2CCN(c3cc(Nc4ccc(SC#N)cc4)nc(Cc4ccccc4)n3)CC2)n1C 1868207198 JJYTUIPDIQLQRT-UHFFFAOYSA-N 497.632 4.148 50 10 JIGE O=C(COc1ccc(C(=O)NC2CCCCC2)cc1)N/N=C/c1ccc(OC(=O)c2ccco2)cc1 1873496189 IONXWEQJWRHLAF-OGLMXYFKSA-N 489.528 4.090 50 10 JIGE CCN(C[C@@](C)(CI)OCC(F)(F)C(F)F)C(=O)OC(C)(C)C 1900607688 PJMPYWFQGTVKOK-CYBMUJFWSA-N 457.246 4.354 50 10 JIGE O=C(c1cc(Br)c(Br)s1)N1C[C@H](Br)C[C@]2(CCCO2)C1 1924250352 KSCOFZWNKBCXFX-AMIZOPFISA-N 488.039 4.432 50 10 JIGE C[C@H](Br)[C@@H]1CCCN(c2ncc(I)cc2Br)C1 2015763181 VLUXMLDWQQSASX-DTWKUNHWSA-N 473.978 4.449 50 10 JIGE CN(C(=O)c1ccc(Br)cc1I)[C@H]1CCC[C@@H]1Br 2086138709 FEGJYBXKRKYIOT-JQWIXIFHSA-N 486.973 4.442 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CC[C@@H](Cl)[C@H]1C1CC1 2142279963 XGJOZAUGJNJWJT-DGCLKSJQSA-N 454.533 4.286 50 10 JIGE C[C@H]1CN(Cc2ccc(I)c(Cl)c2)C[C@H](CCBr)O1 2142951179 XWGSTHZQSXQONB-JQWIXIFHSA-N 458.565 4.319 50 10 JIGE O=C(N[C@H]1CCCC[C@H]1CCBr)c1cc(I)ccc1O 2146718689 JLMQXJAQMFHIGC-GWCFXTLKSA-N 452.130 4.070 50 10 JIGE C[C@H]1CCN(Cc2ccccc2)CCN1S(=O)(=O)c1ccc(Br)c(CCl)c1 2153289785 NOWSJBIYIPYYPJ-INIZCTEOSA-N 471.848 4.473 50 10 JIGE CN(Cc1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)c(CCl)c2)C1 2169155224 YXFOYCKJQHVGIS-GOSISDBHSA-N 471.848 4.473 50 10 JIGE Cc1oc(CBr)cc1S(=O)(=O)N1C[C@H](C)N(Cc2ccccc2)[C@@H](C)[C@@H]1C 2179820619 ZUURAWKCBINZQM-JYJNAYRXSA-N 455.418 4.155 50 10 JIGE O=C(N[C@@]12CC[C@@](CBr)(C1)OC2)c1cc(Br)cc(Br)c1 2190183497 MUZGYLUCKQMIHZ-KBPBESRZSA-N 467.983 4.028 50 10 JIGE CCCN1CC[C@@H]([C@H](Cl)c2ccc(Br)cc2I)S1(=O)=O 2207268880 OBEFXBHJXLPIBJ-QWHCGFSZSA-N 492.604 4.148 50 10 JIGE CS(=O)(=O)C1CC([C@H](Br)c2cc(Br)ccc2Br)C1 2257632505 BKNSHVRVQQCZNJ-FMDDCXKFSA-N 461.013 4.471 50 10 JIGE CN(Cc1ccccc1I)S(=O)(=O)c1csc(CBr)c1 2280352732 VQHQHNZJTIQORK-UHFFFAOYSA-N 486.194 4.068 50 10 JIGE O=C(N[C@@H]1C[C@@H](CBr)[C@H]2C[C@H]21)c1csc(Br)c1Br 2309229999 DONXIIGREFXKJP-YYWONIAYSA-N 458.013 4.422 50 10 JIGE COCCOc1ccc(C=C(C#N)C(=O)NCCc2nc(-c3ccc(OC)cc3)cs2)cc1 2331123781 WKVXDYJYMQBLAJ-UHFFFAOYSA-N 463.559 4.110 50 10 JIGE FC(F)(F)c1cnc(N2[C@H]3CC[C@H](C3)[C@H]2CBr)c(I)c1 2355775415 NHIZYYYQWKZMKQ-POZPLHJXSA-N 461.063 4.457 50 10 JIGE COc1cc([C@@H](Br)c2cnn(C)c2I)c(OC)cc1Cl 2363532582 GJZPQEHJVFNHHP-GFCCVEGCSA-N 471.520 4.180 50 10 JIGE Cn1nc(Br)c(Br)c1C(=O)NC[C@@H]1CCCC[C@@H](Br)C1 2364227795 DNSFVASNDFYEFV-RKDXNWHRSA-N 472.019 4.019 50 10 JIGE COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)ccc1OCC(=O)Nc1ccccc1 35519973 WBRNBZWQJFAVKT-MLPWYGTASA-N 455.514 4.497 50 10 JIGE Cc1nn(-c2ccc(F)cc2)c2nc(Cc3ccccc3)nc(N3CCN(C(=O)CCCl)CC3)c12 37380034 NGLKVMCUZHFZCW-UHFFFAOYSA-N 492.986 4.131 50 10 JIGE N#CC1=C(N)Oc2cc(OC(=O)[C@H]3COc4ccccc4O3)ccc2[C@@H]1c1ccc(Cl)cc1 38687761 DMFFKFLLMKLXBD-PKTZIBPZSA-N 460.873 4.304 50 10 JIGE Cc1c(C(=O)NC(C)C)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 40816310 QAGKXMYSCAUQBI-MFKUBSTISA-N 452.338 4.269 50 10 JIGE CCOC(=O)/C(C#N)=C/c1cccc(OC(=O)c2ccc(C(=O)C(=O)c3ccccc3)cc2)c1 40926316 SBFHKJDIKVGKFJ-PXLXIMEGSA-N 453.450 4.441 50 10 JIGE CCn1cc(/C=C(/C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c2ccccc21 96504335 GGOJEDMLSRGIBV-SSZFMOIBSA-N 477.571 4.464 50 10 JIGE C[C@H](NC(=O)/C(C#N)=C\NC1CCN(C(=O)OC(C)(C)C)CC1)c1ccc2c(c1)CCCC2 217205247 FQQGGHOLANGUCQ-LSOGNMMWSA-N 452.599 4.139 50 10 JIGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\NCc1ccccc1Cl 217253749 IRFIPDVZGZEOFN-KAMYIIQDSA-N 451.695 4.389 50 10 JIGE O=C(CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)NN=Cc1ccc(F)cc1 252601038 DXDLIIDZIXKUMQ-UHFFFAOYSA-N 494.375 4.474 50 10 JIGE COc1cc(C=NNC(=O)COc2c(C)cccc2C)ccc1OC(=O)c1cccc(F)c1 254400414 GZWDCGNBGZXXPU-UHFFFAOYSA-N 450.466 4.199 50 10 JIGE Cc1cc(CCl)ccc1-n1cnc(I)c1I 309153981 BKODHFDOISPDEU-UHFFFAOYSA-N 458.468 4.129 50 10 JIGE FC(F)(F)Oc1c(Br)cc(I)nc1CBr 396147832 AMFBEICRGTWYMN-UHFFFAOYSA-N 460.813 4.242 50 10 JIGE N#CCCn1cc(/C=C(/C#N)C(=O)NCCc2ccc3c(c2)OCO3)c(-c2ccc(Cl)cc2)n1 818058224 AMZKGHBTYRWFJE-UYRXBGFRSA-N 473.920 4.112 50 10 JIGE CC(C)c1ccc(N(CC(=O)NN=Cc2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1 1083915689 TUCPKWYRIKQUJW-UHFFFAOYSA-N 480.546 4.064 50 10 JIGE Cc1ccc(S(=O)(=O)Oc2ccccc2C=NNC(=O)c2nc3ccccc3s2)cc1 1084017597 VDNUHYFVVJVUTP-UHFFFAOYSA-N 451.529 4.136 50 10 JIGE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NNC(=O)CSc2ccc(Cl)cc2)cc1 1658659361 WORFXRXCNRCCKQ-UHFFFAOYSA-N 458.971 4.099 50 10 JIGE COC(=O)c1ccc(OCCCOc2cccnc2NC(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1 1858693835 DHPWQQPSOZWLBL-UHFFFAOYSA-N 485.424 4.374 50 10 JIGE Cc1sc2ncn(CC(=O)N/N=C/c3c(F)cccc3Cl)c(=O)c2c1-c1ccccc1 1860772821 IEEHHNBASZKBIN-NSKAYECMSA-N 454.914 4.376 50 10 JIGE CCCc1nn(-c2ccccn2)c2c1[C@H](c1cc(Br)c(O)c(OCC)c1)C(C#N)=C(N)O2 1865687905 CVFYLDSVZULKBT-LJQANCHMSA-N 496.365 4.305 50 10 JIGE COc1ccc(-c2nn(CC(C)C)c3c2[C@H](c2ccc(OC)cc2OC)C(C#N)=C(N)O3)cc1 1865707674 CREYXHSVXFZKJR-JOCHJYFZSA-N 460.534 4.450 50 10 JIGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc3oc(O)nc3c2)cc1 1867136861 WUAHBZHJCLQYTO-HXUWFJFHSA-N 458.499 4.086 50 10 JIGE CC(C)[C@@H](CI)NC(=O)c1csc(Br)c1Br 1937737299 GYJUQYQSHABXHH-SSDOTTSWSA-N 480.991 4.463 50 10 JIGE CCOc1ccc(-n2c(SCC(=O)C(C#N)=C(C)N)nnc2-c2cccc(Cl)c2)cc1 2040421397 BWYNRXFMEUWUTE-UHFFFAOYSA-N 453.955 4.404 50 10 JIGE C[C@@H]1C[C@@H](Br)CCN(S(=O)(=O)c2cc(Cl)c(Br)s2)C1 2103289174 WRYCHMVMMUSLLA-SFYZADRCSA-N 451.633 4.348 50 10 JIGE C[C@H](CCCCCI)NC(=O)c1ccc(I)c(O)c1 2117895181 PSHJNGSHPWTQGV-SNVBAGLBSA-N 487.119 4.111 50 10 JIGE CN(C(=O)c1ccc(I)c(Br)c1)[C@H](CCCl)C(F)F 2122003845 WOFDAELFPFDTQC-SNVBAGLBSA-N 466.491 4.388 50 10 JIGE O=C(NCC1(F)CCC(CBr)CC1)c1sccc1I 2122082963 NYQPGMCVAQOXPE-UHFFFAOYSA-N 460.150 4.376 50 10 JIGE Cc1cc(C(=O)N[C@H]([C@H](C)Br)C(F)(F)F)ccc1I 2142108355 YVPWPKOQZPQBNW-OIBJUYFYSA-N 450.036 4.044 50 10 JIGE O=S(=O)(NC[C@H](Cl)CC(F)(F)F)c1cc(Br)ccc1Br 2175685840 IJEBOQOABOEPAR-SSDOTTSWSA-N 459.509 4.050 50 10 JIGE O=S(=O)(c1ccc(Cl)c(CBr)c1)N1C[C@H]2C[C@H]1CN(Cc1ccccc1)C2 2179786577 CHQOKKWBHOHTRK-WMZOPIPTSA-N 469.832 4.130 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)NCCC(F)(F)CBr)cc1Br 2184614104 FJSGONFQQKMXKX-UHFFFAOYSA-N 499.997 4.219 50 10 JIGE O=C(c1cc(F)c(Br)cc1Cl)N1C[C@H](Br)[C@@H](Br)C1 2256015512 VXDSFKZDCHQXFY-YUMQZZPRSA-N 464.354 4.224 50 10 JIGE N#CC(=Cc1ccc(-c2ccc(S(N)(=O)=O)cc2)o1)C(=O)Nc1cccc(Cl)c1Cl 2297709392 JVIUTGBGMJMAOC-UHFFFAOYSA-N 462.314 4.446 50 10 JIGE Cc1ccc(C(=O)O)cc1-n1c(C)cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c1C 2313567778 OMIFOYIQUMOFAQ-UHFFFAOYSA-N 468.557 4.357 50 10 JIGE COc1ccccc1Oc1nc2ccccn2c(=O)c1C=C(C#N)C(=O)Nc1ccc(F)cc1 2314532243 HVYLGZQDWCCRLN-UHFFFAOYSA-N 456.433 4.180 50 10 JIGE CCN(C[C@@](C)(CI)OC[C@H]1COC2(C)CC1C2)C(=O)OC(C)(C)C 2317960307 TWWZFBYAWUIFIX-DGSXUWPCSA-N 467.388 4.269 50 10 JIGE Clc1ccc(I)cc1CN1CCC2(CC1)C[C@@H](Br)CO2 2380510150 ZIRZNIZWDMCWGW-GFCCVEGCSA-N 470.576 4.463 50 10 JIGE Cc1ccc(S(=O)(=O)/N=C2/C(C(C)C)=CC(=O)[C@@](C)(Br)[C@@H]2Br)cc1 8741533 ZEWCQOWMZMLXLQ-JHKYMMMYSA-N 477.218 4.207 50 10 JIGE CC[C@H](Oc1ccccc1C)C(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 13995468 VUVLLSWNUIUILG-SFHVURJKSA-N 477.399 4.439 50 10 JIGE CCCCOc1cccc(C(=O)NC(=S)NNC(=O)C(c2ccccc2)c2ccccc2)c1 14041936 UPXQPYKHYXMXTR-UHFFFAOYSA-N 461.587 4.333 50 10 JIGE C/C(=N\NC(=O)C1CCN(Cc2ccc(Br)cc2)CC1)c1ccc([N+](=O)[O-])cc1 38201918 GJPQWVNNDHAOTR-HZHRSRAPSA-N 459.344 4.110 50 10 JIGE Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)oc2c1/C(=N/NC(=O)c1ccccc1F)CCC2 40812327 GAYAANGRVQMZJT-MWAVMZGNSA-N 492.526 4.299 50 10 JIGE Cc1c(C(=O)N2CCCC[C@H]2C)oc2c1/C(=N/NC(=O)c1cncc(Br)c1)CCC2 40822884 JJCIPVQLHYIRKU-KCWAVRRGSA-N 473.371 4.231 50 10 JIGE CCOC(=O)/C(C#N)=C\c1cc([N+](=O)[O-])ccc1OCCOc1ccc(Br)cc1 89269978 CASGBURUWOURJP-PTNGSMBKSA-N 461.268 4.285 50 10 JIGE CC(C)(C)OC(=O)N1C[C@@H](c2ccc(Br)cn2)[C@@H](CI)C1 382701311 ORAVVQDTNWXCOG-CMPLNLGQSA-N 467.145 4.230 50 10 JIGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@@H](c2ccc(Br)cn2)C1 382701313 ORAVVQDTNWXCOG-PWSUYJOCSA-N 467.145 4.230 50 10 JIGE C[C@H](Br)C[C@H](C)CNS(=O)(=O)c1cc(Br)ccc1Br 398604755 VZDHMBOKMVVYHI-IUCAKERBSA-N 478.044 4.300 50 10 JIGE O=C(N[C@H]1CCC[C@@H]1CBr)c1ccc(I)c(Br)c1 721613967 NIIFRKYUVYGFHI-SKDRFNHKSA-N 486.973 4.347 50 10 JIGE O=C(COc1ccc2cc(Br)ccc2c1Br)NN=Cc1ccco1 725382746 IBYVDLTWOVKJEE-UHFFFAOYSA-N 452.102 4.487 50 10 JIGE COc1ccc2nc(NC(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C(=O)OC(CCl)CCl)sc2c1 725394556 KIBVESCOHZYYRQ-NXKWAJLKSA-N 455.363 4.071 50 10 JIGE CC(=NNC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)c1ccccc1 1084032772 CCVQYPBDLNXEJW-UHFFFAOYSA-N 486.391 4.185 50 10 JIGE CC(=NNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1)c1ccc(Br)cc1 1084250225 XGPDQXQGWPTDOB-UHFFFAOYSA-N 486.391 4.185 50 10 JIGE COC(=O)c1ccc(C=NNC(=O)CCCSc2nc3ccc([N+](=O)[O-])cc3s2)cc1 1084569507 BWWYXCBTWKSMDO-UHFFFAOYSA-N 458.521 4.014 50 10 JIGE N#CSc1ccc(Nc2cc(N3CCC(c4ncncn4)CC3)nc(-c3cccnc3)n2)cc1 1868564807 FJHWPAATDKJNKI-UHFFFAOYSA-N 467.562 4.424 50 10 JIGE C[C@H](Br)[C@@H]1CCCN1S(=O)(=O)c1cc(Br)ccc1Br 1879176042 GUZWRFGUDYUWPC-KWQFWETISA-N 476.028 4.148 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@H]2CC[C@]2(CCl)C1 1903930256 DPSBUAIBZDOILZ-OTYXRUKQSA-N 454.533 4.145 50 10 JIGE O=C(c1cc(Br)cc(Br)c1)N1C[C@H](Br)[C@H](Br)C1 2019465565 BNNWNVJHVUEBBA-AOOOYVTPSA-N 490.815 4.194 50 10 JIGE CC[C@@H](CCBr)NC(=O)c1ccc(Br)cc1I 2026216378 FRMGVRCXWAGBFD-VIFPVBQESA-N 474.962 4.347 50 10 JIGE O=C(c1cccc(Br)c1Br)N1CC[C@@H]2[C@@H](CBr)[C@@H]2C1 2093124996 DTHSCHURPMVALE-FBIMIBRVSA-N 451.984 4.315 50 10 JIGE CN(Cc1c(Br)cnn1C)c1ccc(CBr)c(Br)c1 2100251728 ZVXIQQNMWBMWDN-UHFFFAOYSA-N 451.988 4.476 50 10 JIGE O=C(NC[C@H]1CC12CCC(Br)CC2)c1sccc1I 2101288589 KQFGICBOYXKWML-NAUIOFCNSA-N 454.171 4.426 50 10 JIGE CC1(C)CO[C@H](CBr)CN1C(=O)c1scc(Br)c1Br 2111223391 XONFOOHVOQDDJD-SSDOTTSWSA-N 476.028 4.288 50 10 JIGE C=C[C@@]1(CBr)COCCN1Cc1ccc(Br)cc1Br 2135109150 UUUDBJMGAQIART-CQSZACIVSA-N 454.000 4.364 50 10 JIGE O=C(N[C@H]1COC2(CCC2)[C@H]1Br)c1cc(Br)sc1Br 2141543933 KPDQPWGKCHITOO-CBAPKCEASA-N 474.012 4.088 50 10 JIGE CC[C@H]1CN(S(=O)(=O)CCC(CCl)CCl)[C@@H](CC)CN1C(=O)OCc1ccccc1 2163052204 AZUQGYJPEYWISY-PMACEKPBSA-N 479.470 4.312 50 10 JIGE C[C@H]1C[C@H](N(C)S(=O)(=O)c2cc(F)ccc2CBr)CN1Cc1ccccc1 2179786469 AVNCNJMPRSKXLB-KXBFYZLASA-N 455.393 4.004 50 10 JIGE CC(C)[C@@H]1CN(S(=O)(=O)c2cc(CBr)sc2Br)CCS1 2179787949 VYRRCTJAHQRCRB-JTQLQIEISA-N 463.282 4.168 50 10 JIGE COc1cc(Br)ccc1C[C@@H](Br)CN1C(=O)c2ccccc2C1=O 2210044491 NMCAYLSZKUEXEP-CYBMUJFWSA-N 453.130 4.060 50 10 JIGE Cc1cc(Br)c([C@@H](Br)C2CS(=O)(=O)C2)c(C)c1Br 2220139242 AEWMHWXVBOZZLT-LBPRGKRZSA-N 461.013 4.309 50 10 JIGE CC(C)(C)OC(=O)N1C[C@H](Br)[C@H](OCc2ccc(Br)cc2F)C1 2243291518 ZICWWXNKBMBHTB-GXTWGEPZSA-N 453.146 4.488 50 10 JIGE C[C@H]1CN(C(=O)c2ccc(Cl)c(I)c2)CC[C@@H]1CBr 2268353709 NMGIDWLBHWQIBE-GXSJLCMTSA-N 456.549 4.438 50 10 JIGE C[C@@H]1CN(C(=O)c2ccc(Cl)c(I)c2)CC[C@H]1CBr 2268353712 NMGIDWLBHWQIBE-KOLCDFICSA-N 456.549 4.438 50 10 JIGE O=C(C=Cc1ccc(Cl)cc1)NNC(=O)COc1ccc2ccccc2c1Br 2313864673 ZBAFTMISVGBKEH-UHFFFAOYSA-N 459.727 4.495 50 10 JIGE O=S(=O)(N[C@H](CCCl)COCc1ccccc1)c1ccc(F)c(Br)c1 2320662561 CPZDHFXUJWUCAW-CQSZACIVSA-N 450.757 4.081 50 10 JIGE O=C(CCc1nc2ccccc2[nH]c1=O)NN=Cc1cccc(OCc2ccccc2Cl)c1 2321685169 RQURPMBRIPNZCS-UHFFFAOYSA-N 460.921 4.238 50 10 JIGE CC(C)Oc1c(Br)cc(C=NNC(=O)c2ccccc2N)cc1Br 2323203541 YWTKYGXLBSGWHX-UHFFFAOYSA-N 455.150 4.345 50 10 JIGE C[C@@H](Br)[C@@H](NC(=O)c1ccc(Cl)cc1I)C(F)(F)F 2340058175 PXGKQFOWGRDFRP-MLUIRONXSA-N 470.454 4.389 50 10 JIGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCCC[C@H]1CCCBr 2364208601 KGLROBRZQDXIIH-SFHVURJKSA-N 499.471 4.202 50 10 JIGE COc1ccc(C(=O)N[C@@H](CCBr)COCc2ccccc2)c(Cl)c1OC 2369434455 XNAIENJDLDRUBO-HNNXBMFYSA-N 456.764 4.457 50 10 JIGE Cc1ncnc(N2CC[C@H](C3CCC(Br)CC3)C2)c1I 2381255980 LBJRFBXZOQICDS-CPCZMJQVSA-N 450.162 4.170 50 10 JIGE CC(C)(C)c1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2Br)cc1 12488180 LSYXAHNPEXPVHS-UHFFFAOYSA-N 484.188 4.349 50 10 JIGE Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)c1 14038632 JMKAZWSZRVLOOE-HXUWFJFHSA-N 459.546 4.304 50 10 JIGE CCCCOc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(OCCC(C)C)cc2)c1 14041977 QQJHXEWZWIWTIN-UHFFFAOYSA-N 457.596 4.240 50 10 JIGE CCN1C(=S)N[C@@H](c2ccc(NC(=O)C(C)(C)CCl)cc2)C(C(=O)OC(C)C)=C1C 16609268 WOSVBMYHCUOICQ-SFHVURJKSA-N 452.020 4.367 50 10 JIGE O=C(NNC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1)c1ccccc1OCc1ccc(F)cc1 17200611 JCBDKAUSECWEMR-FQEVSTJZSA-N 490.535 4.110 50 10 JIGE CCOc1cc(/C=C2/C(=O)N(CCOC)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 38606254 LJOFYTBLDUCDDV-DEDYPNTBSA-N 464.493 4.042 50 10 JIGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 38653515 ZEWYNDVBRPBETI-XMMPIXPASA-N 457.442 4.106 50 10 JIGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(F)cc4)ccc32)c(OC)c1 38656817 JSJDQFZOIIWLSA-RUZDIDTESA-N 476.460 4.045 50 10 JIGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc32)cc1 38685977 SFUJYUQOBYKHCL-QHCPKHFHSA-N 457.442 4.431 50 10 JIGE O=C(NNc1ncnc(Nc2ccc(Br)cc2)c1[N+](=O)[O-])c1ccccc1Cl 40649184 JSQLNMVTOQPGNK-UHFFFAOYSA-N 463.679 4.301 50 10 JIGE C=CCOc1cc(Br)c(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc1OCC 58891682 IDCCDQAVDWZGBG-OQLNFPPLSA-N 461.356 4.377 50 10 JIGE COc1c(Cl)cc(/C=N/NC(=O)c2nn(-c3ccccc3)c3c2CCC3)c(OC)c1Cl 169927708 IEVDBNWONBWUTL-BRJLIKDPSA-N 459.333 4.449 50 10 JIGE COc1ccc(/C=C(/C#N)C(=O)Oc2ccc3cc(C(=O)NCc4ccccc4)c(=O)oc3c2)cc1 206523066 IEAALUHTOXLESX-BKUYFWCQSA-N 480.476 4.244 50 10 JIGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C/c2ccc(OCc3ccccc3F)c(OC)c2)C1=O 214303099 KENPYRXCKJRCJR-STZFKDTASA-N 478.520 4.432 50 10 JIGE C[C@H]1CCN(S(=O)(=O)c2ccc(CCl)cc2Br)CCN1Cc1ccccc1 382648249 QXSBVOOREUUKAG-INIZCTEOSA-N 471.848 4.473 50 10 JIGE O=C(NNC(=O)C1CCN(c2nc3ccccc3s2)CC1)c1ccc(Br)cc1Cl 728827520 SJSATQUIXORIKL-UHFFFAOYSA-N 493.814 4.390 50 10 JIGE CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(S(=O)(=O)C[C@@H]3CCCO3)cc2)c1C 731338232 RFGFWXUOEZSWOK-PZHBDVNGSA-N 455.580 4.013 50 10 JIGE Cc1c(Cl)cccc1N(CC(=O)NN=Cc1ccc(OCc2ccccc2)cc1)S(C)(=O)=O 1084203787 STZOPIWCHYNWTD-UHFFFAOYSA-N 485.993 4.144 50 10 JIGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2cc([N+](=O)[O-])ccc2O)C1 1614809661 NKZKHVGFLZITDJ-WMLDXEAASA-N 482.274 4.088 50 10 JIGE C=CCn1ncc2ccc(NC(=O)NNC(=O)c3ccc(OCCC(C)C)c(OC)c3)cc21 1664930005 ZLBVNBROUCTSJP-UHFFFAOYSA-N 451.527 4.122 50 10 JIGE COc1cc(C(=O)NN=C2C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)cc(OC)c1OC 1772752399 FRVWPVGDGLWFSJ-UHFFFAOYSA-N 479.920 4.047 50 10 JIGE N#CSc1ccc(NC(=O)Nc2ncccc2OCC(=O)N2CCc3ccccc3C2)cc1 1858861342 DVUPTBUQYSOQNX-UHFFFAOYSA-N 459.531 4.262 50 10 JIGE Cc1nc(-c2ccc(F)cc2)ccc1C(=O)NNC(=O)CCC(=O)c1ccc(Br)cc1 1865758045 GUFBHIXNYZPAMJ-UHFFFAOYSA-N 484.325 4.383 50 10 JIGE Cc1sc(CBr)cc1S(=O)(=O)N1CCN(Cc2ccccc2)CC[C@@H]1C 1885141907 CVIKDAOESOHWQH-HNNXBMFYSA-N 457.459 4.237 50 10 JIGE C[C@H]1C[C@H](Br)CN1Cc1ccc(I)c(Br)c1 1904343177 FWLCDLVFFLYJLJ-WPRPVWTQSA-N 458.963 4.411 50 10 JIGE CC(C)[C@@H](CBr)NC(=O)c1ccc(Br)cc1I 2026221418 LLNXNQIYZWMNEG-LLVKDONJSA-N 474.962 4.203 50 10 JIGE C/C(=N/NC(=O)c1ccncc1NS(=O)(=O)c1cccs1)c1ccc(C(C)(C)C)cc1 2059031093 NGIWBAHZEKJFIB-IWIPYMOSSA-N 456.593 4.395 50 10 JIGE C[C@@]1(NC(=O)c2ccc(Br)cc2I)CCC[C@@H]1Br 2086139557 QBLCLKYMZRNSKM-WCQYABFASA-N 486.973 4.490 50 10 JIGE C[C@](CBr)(NS(=O)(=O)c1cc(Br)ccc1Br)C1CC1 2090414327 MZNNNFGLVIWZKC-GFCCVEGCSA-N 476.028 4.054 50 10 JIGE C[C@@H]1CN(S(=O)(=O)c2cc(CCl)oc2Br)[C@H](C)CN1Cc1ccccc1 2095830365 CTXMVPBDNKMPSW-ZIAGYGMSSA-N 461.809 4.064 50 10 JIGE C[C@H]1CN(C(=O)c2scc(Br)c2Br)C[C@H](CCBr)O1 2122797126 DDRFIOMTHLLPIV-YUMQZZPRSA-N 476.028 4.288 50 10 JIGE O=S(=O)(c1csc(CBr)c1)N1CCN(Cc2ccccc2)C2(CCC2)C1 2123230726 VCLFZBYDPLDDQW-UHFFFAOYSA-N 455.443 4.072 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@H]2C[C@H](Br)C[C@H]1C2 2142292577 VTHKRNIORTYKRF-INTQDDNPSA-N 498.984 4.442 50 10 JIGE CC[C@@]1(CBr)COCCN1C(=O)c1ccc(Br)cc1Br 2169033686 PKLBPZZAGQPBBT-CQSZACIVSA-N 469.999 4.228 50 10 JIGE CS[C@@H]1CC[C@@H](N(C)S(=O)(=O)c2cc(CBr)sc2Br)C1 2179787922 VPTLXYHXVMLHAW-RKDXNWHRSA-N 463.282 4.310 50 10 JIGE O=C(c1cccc(F)c1I)N1[C@@H](CBr)CCC12CCC2 2205759723 NERBNLDGNXAJIZ-SNVBAGLBSA-N 452.105 4.353 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)[C@@H](Br)C2CCCC2)C(F)(F)CC1 2284575434 HWCCYLGPLSDOIS-GJZGRUSLSA-N 453.368 4.481 50 10 JIGE CCOc1cc(C=CC(=O)NN)cc(Br)c1OC(=O)c1cccc2ccccc12 2314014904 YFRRIXIZBAZGDE-UHFFFAOYSA-N 455.308 4.223 50 10 JIGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)C1=CNc1ccc([N+](=O)[O-])cc1Br 2314579390 RLWIVVIMWJOCPH-UHFFFAOYSA-N 481.306 4.105 50 10 JIGE CCCNC(=O)C(C#N)=Cc1ccc(OC(=O)C=Cc2ccc(OCC)c(OC)c2)c(OC)c1 2314738152 JWIMIBKZLWOKPI-UHFFFAOYSA-N 464.518 4.154 50 10 JIGE CC(C)(C)OC(=O)N[C@H]1CN(CCOCCI)C2(CCCCCC2)C1 2326644560 ZJXCVSQBWSNKLX-MRXNPFEDSA-N 466.404 4.130 50 10 JIGE O=C(N[C@H]1CC[C@@H]2C[C@]12CBr)c1cc(I)ccc1Br 2331773108 YWQMZYKFIUGFTI-CWONEXCFSA-N 498.984 4.347 50 10 JIGE Clc1ccc(CN2CCO[C@@H]3C[C@@H](Br)C[C@@H]32)cc1I 2337219887 XRSJDIGWUBEKJS-LEWSCRJBSA-N 456.549 4.071 50 10 JIGE O=C(N[C@@H](CBr)CC(F)(F)F)c1ccc(Cl)cc1I 2340064525 QGBPNZUABURLDJ-SSDOTTSWSA-N 470.454 4.390 50 10 JIGE CN(CC[C@H](Cl)c1cccs1)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2366235496 COZZMQKIMLCCBI-SFHVURJKSA-N 469.028 4.146 50 10 JIGE O=C(NC1CCCC1)[C@@H](c1ccc(Cl)cc1)N(Cc1ccc2c(c1)OCO2)C(=O)CCl 3039493 ICSNBMFXVJDFHQ-JOCHJYFZSA-N 463.361 4.436 50 10 JIGE Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=O)c1ccc(OC(C)C)c(Br)c1 14658791 HPQXACOSYPZQIT-UHFFFAOYSA-N 496.789 4.378 50 10 JIGE O=C(COc1c(Br)cc(F)cc1Br)NNC(=O)Nc1ccccc1Cl 39892016 ANKWNGPLBIWVDB-UHFFFAOYSA-N 495.530 4.236 50 10 JIGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(OC)c(OCC)cc2Br)cc1 58894209 CDYDCYUPCQTDOA-QCYAWUEASA-N 479.371 4.219 50 10 JIGE Cc1cc(/C=N/NC(=O)Cc2cccc(C(F)(F)F)c2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 59679040 LPQIBUVWARELCE-KVSWJAHQSA-N 487.434 4.202 50 10 JIGE O=C(NNC(=O)c1cc(-c2ccccn2)nc2ccccc12)c1cnc(-c2ccccc2)s1 107536202 ISGCWOZGWQPVGP-UHFFFAOYSA-N 451.511 4.495 50 10 JIGE COc1ccc(CN2C(=O)/C(=C/NNC(=O)CC34CC5CC(CC(C5)C3)C4)c3ccccc3C2=O)cc1 207200059 DMZZVMRLEYSBLB-YZSQISJMSA-N 499.611 4.446 50 10 JIGE CCOC(=O)/C(C#N)=C(/Nc1ccccc1)SC(=O)/C=C\C(=O)Nc1ccc(C(C)=O)cc1 210098382 XICUHZMWSQYEHJ-RWBWQHDCSA-N 463.515 4.054 50 10 JIGE CCOc1cc(/C=C2\C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)ccc1OCCC(C)C 214330183 XAPVBXNUKNNMEH-TUNPGAEXSA-N 452.551 4.281 50 10 JIGE C[C@@H]1CCN(S(=O)(=O)c2cc(Br)ccc2Br)[C@@H]1CBr 227193109 WUWWOBMCNAMBQQ-LDYMZIIASA-N 476.028 4.006 50 10 JIGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3cccc4ccccc34)cc2)cc1 254385027 ZLKJKLYQRSBPLN-UHFFFAOYSA-N 467.481 4.156 50 10 JIGE Cc1nn(C)c2c1nc(CCl)n2-c1ccc(I)c(Br)c1 312651419 VCEJROJBMMBGLN-UHFFFAOYSA-N 465.520 4.173 50 10 JIGE C[C@@H]1[C@H](Br)CCCN1S(=O)(=O)c1cc(Br)ccc1Br 395019757 XZTQBLKUYYQBJU-PSASIEDQSA-N 476.028 4.148 50 10 JIGE O=C(c1cc(I)ccc1Br)N(CCCBr)C1CC1 404266153 VEZDBBCSKPTNMG-UHFFFAOYSA-N 486.973 4.443 50 10 JIGE CCOc1ccc(C(=O)/C=C2\SC(=Nc3ccccc3C(=O)CBr)NC2=O)cc1 606657005 KSGABUWAQLRPTM-ODLFYWEKSA-N 473.348 4.280 50 10 JIGE CCNC(=O)COc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(F)cc3)c2C)cc1 914527230 HWSZGTQUFIRMLV-XSFVSMFZSA-N 460.509 4.294 50 10 JIGE N#CCCn1cc(/C=C(/C#N)C(=O)N2CCc3c(cnn3-c3ccccc3)C2)c(-c2ccccc2)n1 918575566 CRUOGXSTYOPBPA-JWGURIENSA-N 473.540 4.141 50 10 JIGE C=CCc1cc(C=NNC(=O)Nc2ccc(Br)c(C)c2)cc(OC)c1OCC(=O)O 1083993923 CMKVEPMSLBLKEG-UHFFFAOYSA-N 476.327 4.114 50 10 JIGE CCOc1ccccc1NC(=O)C(=O)NN=Cc1ccccc1OCc1ccccc1Cl 1084384389 VZAWORHQIJLVTL-UHFFFAOYSA-N 451.910 4.407 50 10 JIGE CN(C[C@H]1C[C@@H](Br)C1)[C@H](CN)c1ccc(Br)c(Br)c1 1887886577 SWBXOEIZJJBPIV-OLUVUFQESA-N 455.032 4.317 50 10 JIGE O=C(N[C@H]1C[C@@H]([C@H](F)CBr)C1)c1cc(Br)cc(Br)c1 1906434946 XQEAUTOSDWUMBL-VSYUYLJXSA-N 457.963 4.453 50 10 JIGE CC(C)[C@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)OCCO2 1915301756 UUUVEIAERYALKM-SFHVURJKSA-N 454.386 4.068 50 10 JIGE O=C(N[C@H](CBr)C[C@H]1CCCO1)c1cccc(Br)c1Br 1926727487 JQHYVSCKHDIRJX-VHSXEESVSA-N 469.999 4.274 50 10 JIGE Brc1cc(I)cnc1N1C[C@H]2[C@@H](Br)CC[C@H]2C1 2015764428 ARNWROMHMPTSEN-SFGNSQDASA-N 471.962 4.058 50 10 JIGE C[C@](CBr)(NC(=O)c1cc(Br)ccc1I)C(F)F 2043175699 CERPDCVVCVZMSF-LLVKDONJSA-N 496.915 4.202 50 10 JIGE C[C@H](CCCCCI)NS(=O)(=O)c1cc(Br)cs1 2054171776 VUTBABHERHXGLT-SECBINFHSA-N 466.204 4.173 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@H]2[C@H](Br)CC[C@H]2C1 2087938247 WEMGXWGCBLRYJH-XXILOJSOSA-N 498.984 4.299 50 10 JIGE O=C(N[C@@H]1COC2(CCC2)[C@H]1Br)c1scc(Br)c1Br 2141558687 QSHZOTMAWVDYIV-XCBNKYQSSA-N 474.012 4.088 50 10 JIGE C[C@@H]1C[C@H](N(C)S(=O)(=O)c2ccc(CCl)cc2Br)CN1Cc1ccccc1 2154838240 BLZYTIPXHKIRMK-QAPCUYQASA-N 471.848 4.471 50 10 JIGE CC1(C)OCCN(C(=O)c2cc(Br)c(Br)s2)[C@@H]1CBr 2267733367 PGQPIZCCOSMXFE-SECBINFHSA-N 476.028 4.288 50 10 JIGE O=C(NC[C@]1(F)C[C@@H](CBr)C1)c1ccc(Cl)c(I)c1 2268339525 HKAMENLIDYHIEG-KTLJEJPDSA-N 460.512 4.188 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@H](Br)C2(CC2)C1 2277919890 XRURRZWIDGNPBF-LBPRGKRZSA-N 451.984 4.140 50 10 JIGE CCOc1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(OC)cc3)nc3ccccn3c2=O)cc1 2296544432 DDAFAWBWPVQPEO-UHFFFAOYSA-N 482.496 4.440 50 10 JIGE O=C(Cn1c2ccccc2c(=O)c2ccccc21)NN=C1C(=O)N(Cc2ccccc2)c2ccccc21 2323652184 VHYKOOLWURVJRD-UHFFFAOYSA-N 486.531 4.222 50 10 JIGE COc1cc(C=NNC(=O)c2ccc3nc(-c4ccccc4O)[nH]c3c2)cc(Cl)c1OC 2323739998 JZWATSSRNBONKV-UHFFFAOYSA-N 450.882 4.370 50 10 JIGE CCS(=O)(=O)C[C@H](Br)c1c(C)cc(Br)c(OC)c1Br 2339659644 VAOSFBFFVNIMLT-VIFPVBQESA-N 479.028 4.399 50 10 JIGE CCN(CC)S(=O)(=O)C[C@H](Br)c1ccc(Cl)cc1I 2340067754 GCSVIUACROZURQ-NSHDSACASA-N 480.593 4.052 50 10 JIGE COC[C@]1(CCl)C=CCN1Cc1ccc(I)c(Br)c1 2351706490 GPFFNOVPMNJYBD-CQSZACIVSA-N 456.549 4.050 50 10 JIGE Cc1ncnc(N2CCC[C@@]3(CBr)CCCC[C@H]23)c1I 2365432539 RRUFSSALLMWYNZ-SWLSCSKDSA-N 450.162 4.314 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1CC[C@H](C(F)(F)CBr)C1 2365588703 MZRFMNQVDVJUGG-QMMMGPOBSA-N 478.502 4.437 50 10 JIGE COc1ccc(Cl)c2sc(NNC(=O)c3ccc(S(=O)(=O)N4CCC[C@@H](C)C4)cc3)nc12 9447698 CWBGRWBERDCYQW-CYBMUJFWSA-N 495.026 4.136 50 10 JIGE CC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C(=O)O)cc2)=C(C#N)[C@H]1c1sccc1C 20426863 QLNSXXMYSITYJL-HXUWFJFHSA-N 467.572 4.412 50 10 JIGE Nc1c(NNC(=O)c2ccccc2F)ncnc1Oc1ccc(Br)c2cccnc12 40784747 PUVYPNNKHJAYNJ-UHFFFAOYSA-N 469.274 4.058 50 10 JIGE COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1cccc(C)c1C 40879481 XGADMQHFVHISDI-UDWIEESQSA-N 460.486 4.113 50 10 JIGE C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)NN(Cc2ccccc2)c2ccccc2)C1=O 68741608 UDKDWPBZIDZFAQ-GDLZYMKVSA-N 478.552 4.345 50 10 JIGE CCCCN(CCCC)CN1C(=O)/C(=N/NC(=O)COc2ccc(Cl)cc2)c2ccccc21 103073942 UZABQCORVDHCIM-ZZIIXHQDSA-N 471.001 4.446 50 10 JIGE O=S(=O)(NC[C@@H]1CCC[C@H]1Br)c1cc(Br)ccc1Br 136559975 BNGVFZRIZDAVQB-WCBMZHEXSA-N 476.028 4.054 50 10 JIGE O=S(=O)(NC[C@@H]1CCC[C@@H]1CBr)c1cc(Br)ccc1Br 136725952 ZHTNZEUKSYTEAF-ZJUUUORDSA-N 490.055 4.301 50 10 JIGE COc1cc(C=NNC(=O)c2c[nH]c3ccccc23)ccc1OCC(=O)N1[C@@H](C)CCC[C@@H]1C 254385073 FIXNPDWSYVPZRX-ROUUACIJSA-N 462.550 4.109 50 10 JIGE CN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(Br)cc(CCl)c1F 312671021 IYMKKPLIFMLZOA-QGZVFWFLSA-N 475.811 4.222 50 10 JIGE CC[C@@H](Br)[C@H](C)NS(=O)(=O)c1cc(Br)c(C)cc1Br 386693033 KURKNSLPYVZQHL-DTWKUNHWSA-N 478.044 4.360 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2CCC[C@@]2(C)CBr)cc1Br 722979926 GVAOTBBUNNGXDO-ZDUSSCGKSA-N 490.055 4.458 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C2CCC1(CCl)CC2 723028770 UDSPBWHYPUJEEW-UHFFFAOYSA-N 454.533 4.430 50 10 JIGE O=C(NN=Cc1cccc(Cl)c1O)[C@@H]1CCCN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1084319474 GUKMWUVSSIWZQA-HNNXBMFYSA-N 456.808 4.092 50 10 JIGE CCCCCN1C(=O)C(=NNC(=O)COc2ccc(Cl)cc2Cl)c2cc(OC)ccc21 1772720066 AUFPXQQGRCBCSC-UHFFFAOYSA-N 464.349 4.438 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(F)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 1865712953 MTQZLAHNVDCTEP-MRXNPFEDSA-N 459.359 4.216 50 10 JIGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1cc(OC)c(O)c(OC)c1)C(C#N)=C(N)O2 1865714993 SIESARZWHMCMEC-HXUWFJFHSA-N 466.925 4.419 50 10 JIGE CC(C)(C)OC(=O)N1CCC(CI)(OCCOCc2ccccc2)CC1 1880586084 YBTUPXYAAIRIAW-UHFFFAOYSA-N 475.367 4.425 50 10 JIGE O=S(=O)(N[C@@H](CCBr)COCc1ccccc1)c1cc(Br)cs1 1902836529 XNGJENPFPRTYJH-AWEZNQCLSA-N 483.247 4.159 50 10 JIGE C[C@H]1[C@H](Br)CCN1C(=O)c1ccc(Br)cc1I 2026216072 DCFCQSPAYHPSON-OIBJUYFYSA-N 472.946 4.052 50 10 JIGE CCOC(=O)Cc1cc(I)c(C(F)(F)F)c(CBr)c1 2055277426 YMNFYQIBTAMYHQ-UHFFFAOYSA-N 451.020 4.311 50 10 JIGE O=S(=O)(c1cc(Cl)cc(CBr)c1Cl)N1CC(OCc2ccccc2)C1 2059289209 OQZAFSWNNSGCOM-UHFFFAOYSA-N 465.196 4.478 50 10 JIGE C[C@@H](Br)C[C@H]1COCCN1C(=O)c1csc(Br)c1Br 2128882751 XVKMGEKSEDJSPY-SFYZADRCSA-N 476.028 4.288 50 10 JIGE COc1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(OC)cc3)nc3c(C)cccn3c2=O)cc1 2296719414 NSCWPQWXIWXDOC-UHFFFAOYSA-N 482.496 4.358 50 10 JIGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)C=Cc2ccc(Cl)cc2)cc1 2313864566 UYVUASJBJKKZEF-UHFFFAOYSA-N 492.988 4.250 50 10 JIGE C[C@@H](CCCl)CCS(=O)(=O)c1cc(I)ccc1Br 2316470601 ZSLRJNISGMHCRI-VIFPVBQESA-N 465.578 4.483 50 10 JIGE O=C(Cc1ccc(O)c(Br)c1)N[C@@H](CCBr)COCc1ccccc1 2320557153 BXKCEIRJKNEMGZ-INIZCTEOSA-N 471.189 4.184 50 10 JIGE O=C(N[C@H]1C[C@H](CBr)[C@H]2C[C@@H]12)c1c(Br)cccc1Br 2329877022 MXKWNWDPKXVDPF-HNBLOZHYSA-N 451.984 4.361 50 10 JIGE Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(C[C@@H]2COc3ccccc3O2)C(=O)CCl)cc1 3036113 BHNZMWOUWPGLNT-BWKNWUBXSA-N 470.997 4.392 50 10 JIGE N#C/C(=C\c1ccc2c(c1)OCO2)C(=O)/N=C1\c2ccccc2CN1c1cccc([N+](=O)[O-])c1 12658225 SVKPQZITSXAYOU-DZLRWOQTSA-N 452.426 4.224 50 10 JIGE CCCCOc1cccc(C(=O)NC(=S)NNC(=O)COc2ccccc2[C@@H](C)CC)c1 14041924 ILRVTNDNOAJXNL-KRWDZBQOSA-N 457.596 4.094 50 10 JIGE CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)/C=C/c2ccc(Cl)c(C(F)(F)F)c2)cc1 14864372 UNZVQLOPWNQXCE-KKNAONHISA-N 456.848 4.386 50 10 JIGE COc1cccc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)O)cc2)c1OS(=O)(=O)c1ccc(C)cc1 33766775 RBLVFLHPDSPINP-RGEXLXHISA-N 492.509 4.015 50 10 JIGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(=O)OC)cc2)cc1 38683497 RCJOTKMRJNREEO-RUZDIDTESA-N 482.492 4.475 50 10 JIGE N#CC1=C(N)Oc2cc(OC(=O)c3cc4ccccc4oc3=O)ccc2[C@@H]1c1ccc(F)cc1 38688035 ZSHBRNQBWJHVKP-QHCPKHFHSA-N 454.413 4.369 50 10 JIGE O=C(COc1ccccc1)NNc1ncnc(NC(c2ccccc2)c2ccccc2)c1[N+](=O)[O-] 40650620 UHFQBCOPPPUOMF-UHFFFAOYSA-N 470.489 4.108 50 10 JIGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCC#N 58895403 UTGFQHGSPGMOGB-BCDHINTGSA-N 465.550 4.079 50 10 JIGE C=CCn1c(CNc2ccc(C)cc2)nnc1S[C@@H](C)C(=O)NN=Cc1ccc(OCC)cc1 252612778 IWHUKWVTZXWIIG-IBGZPJMESA-N 478.622 4.414 50 10 JIGE Cc1ccc(NC(=O)CN2C(=O)C(=NNC(=O)c3ccc(Cl)cc3Cl)c3ccccc32)cc1 252632414 VSXNEHVIQFNGMJ-UHFFFAOYSA-N 481.339 4.421 50 10 JIGE COc1ccc(C=NNC(=O)c2csc3c2CCCC3)cc1COc1ccccc1C(N)=O 252637170 XPSRBVWPPHTGGP-UHFFFAOYSA-N 463.559 4.077 50 10 JIGE COc1ccccc1C(=O)NN=C1C(=O)N(CN2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c2ccccc21 254735899 CQAJHNYCMOKEBG-CLYVBNDRSA-N 460.578 4.034 50 10 JIGE CCN(C[C@H](C)Br)S(=O)(=O)c1cc(Br)ccc1Br 691369768 DUHUHQCEFMNDLZ-QMMMGPOBSA-N 464.017 4.006 50 10 JIGE C=CCN(CC=C)S(=O)(=O)c1ccc2nc(NC(=O)/C(C#N)=C/c3cccc(F)c3)sc2c1 1866131520 YXMPCZZFLLETTN-SFQUDFHCSA-N 482.562 4.344 50 10 JIGE O=C1c2ccccc2C(=O)N1CCc1nccn1-c1ccc(Br)cc1CBr 1913030448 LDTOHIVTISFKFE-UHFFFAOYSA-N 489.167 4.368 50 10 JIGE CC[C@H](Cl)CN(Cc1ccccc1)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1915116902 ZQTKLXPZYYWGEG-FQEVSTJZSA-N 477.026 4.302 50 10 JIGE O=C(N[C@@H](CBr)C[C@@H]1CCCO1)c1cc(Br)ccc1Br 1926740373 KGYDQBCFBZWVKM-MNOVXSKESA-N 469.999 4.274 50 10 JIGE CN(CC(F)(F)CBr)C(=O)c1cc(Br)sc1Br 1945730921 XFLJSDWUQINDON-UHFFFAOYSA-N 455.944 4.375 50 10 JIGE CS(=O)(=O)C1([C@@H](Br)c2cc(Br)c(Br)s2)CC1 1979975834 XWZPZWRLQNPBLJ-ZETCQYMHSA-N 453.015 4.286 50 10 JIGE CC(C)(C)OC(=O)NC[C@@](C)(CI)O[C@H]1COC2(CCCCC2)C1 2017996933 ZYWSQHXXBPMTGM-RHSMWYFYSA-N 453.361 4.213 50 10 JIGE CN1CCC[C@H]([C@@H](Br)c2csc(Br)c2Br)S1(=O)=O 2032953867 RRLSOVABFWVQCS-SFYZADRCSA-N 482.057 4.133 50 10 JIGE COc1cc(C=C(C#N)c2nc(-c3ccc(C)cc3)cs2)ccc1OCC(=O)N1CCOCC1 2040464270 HKPLXDYDXATAQD-UHFFFAOYSA-N 475.570 4.429 50 10 JIGE CCOc1c(I)cc(I)cc1CBr 2060221658 YKLGODUDKFOHFE-UHFFFAOYSA-N 466.882 4.189 50 10 JIGE CN([C@@H]1CN(Cc2ccccc2)C(C)(C)C1)S(=O)(=O)c1cc(CCl)oc1Br 2154840254 PWUWWPWLXMSGBF-HNNXBMFYSA-N 475.836 4.455 50 10 JIGE CC1(C)CC[C@@H](CBr)N(C(=O)c2cc(I)ccc2F)C1 2169667512 GPYCILMPSSEUKI-NSHDSACASA-N 454.121 4.456 50 10 JIGE Cc1nn(C)c(Br)c1[C@@H](Cl)c1cc(I)cc2c1OCC2 2185750866 PMUNOFDWVDNZTF-LBPRGKRZSA-N 467.532 4.359 50 10 JIGE N#CC(=Cc1ccc(OCC(=O)O)c(Br)c1)C(=O)Nc1cccc(Br)c1 2294147018 XBNBALBHQJZKPG-UHFFFAOYSA-N 480.112 4.221 50 10 JIGE N#CC(=Cc1c[nH]nc1-c1ccc(Br)cc1)C(=O)Nc1ccc2c(c1)OCCO2 2295635807 NARBDAKDSBBGBD-UHFFFAOYSA-N 451.280 4.156 50 10 JIGE Clc1ccc(CN2CC3(C2)OCCC[C@@H]3Br)cc1I 2337227887 QAKVDURWNRMROP-ZDUSSCGKSA-N 456.549 4.073 50 10 JIGE Clc1ccc(CN2CCO[C@@H]3C[C@H](Br)C[C@H]32)c(I)c1 2341045987 DTTYMOZRDGHPJX-LERXQTSPSA-N 456.549 4.071 50 10 JIGE C[C@H]1[C@H](C)N(S(=O)(=O)c2cc(Cl)c(Br)s2)CC[C@H]1Br 2344523109 JQABYHSBLSHMSM-BIIVOSGPSA-N 451.633 4.347 50 10 JIGE CN([C@H]1CCCCC[C@@H]1Br)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364205948 OYZGBLJCNFQKNO-PMACEKPBSA-N 499.471 4.201 50 10 JIGE COc1cc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCc1cccc(F)c1 20228664 ICLZWOLXHPKYFV-AWQFTUOYSA-N 460.461 4.365 50 10 JIGE CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N(Cc4cccnc4)C(=O)C(C#N)=C3C)o2)cc1 38606800 PPMVRWMQNAHLIW-LPYMAVHISA-N 467.481 4.311 50 10 JIGE CCCNC(=O)c1oc2c(c1C)/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 40816308 WGZGZWLEODAUJD-MFKUBSTISA-N 452.338 4.270 50 10 JIGE COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(Cl)cc1 40877393 OACZPDBHDQWTPG-GZTJUZNOSA-N 466.877 4.149 50 10 JIGE CCCc1ccc(OCC(=O)NNC(=O)c2cc(Br)c(Br)s2)cc1 40948006 DGMHNWJOKOGTKS-UHFFFAOYSA-N 476.190 4.066 50 10 JIGE CC(C)Cc1ccc([C@@H](C)C(=O)N/N=C2/C(=O)N(CCN3CCCCC3)c3ccccc32)cc1 59148621 VGBVTXZKJVLDBL-YDZSHBKASA-N 460.622 4.342 50 10 JIGE COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2CCc3[nH]c4ccc(C(=O)OC)cc4c3C2)c1C 105904012 UGHSKSFOGZWZLC-BYINCCNUSA-N 474.561 4.072 50 10 JIGE COc1cc(/C=C(/C#N)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCc1ccccc1F 207164619 KWKNUWOWMCLXGO-JMIUGGIZSA-N 460.461 4.365 50 10 JIGE COC(=O)c1ccc([C@@H]2Nc3ccc(C(C)=NNC(=O)CC4(C)OCCO4)cc3[C@@H]3C=CC[C@H]32)cc1 254317342 KCHMRVKCPNKWDT-DRLORSAXSA-N 489.572 4.293 50 10 JIGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccccc3OC)n2-c2ccccc2)cc1 254353421 YOZKINAIKDYDFP-UHFFFAOYSA-N 473.558 4.194 50 10 JIGE COc1ccc(O)c(C=NNC(=O)CNc2c(Br)cc(Cl)cc2Br)c1 254841080 KFIOXXPQQVXCDP-UHFFFAOYSA-N 491.567 4.141 50 10 JIGE Cc1ccc(COc2ccc(C=NNC(=O)Cn3cnc4sc(C)c(C)c4c3=O)cc2)cc1 254874221 FXARDVNPQMGFPQ-UHFFFAOYSA-N 460.559 4.113 50 10 JIGE CCOC(=O)c1cc2ccc(OC(=O)[C@@]34CC[C@@](C)([C@H]3Br)C4(C)C)cc2oc1=O 256019727 AEMXTKFMGMNNLF-BVYCBKJFSA-N 463.324 4.465 50 10 JIGE Cc1cc([C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)ccc1O 383420498 OKZBRXCKNWNNEY-ZWKOTPCHSA-N 451.304 4.488 50 10 JIGE CO[C@@]1(CBr)CCCN(C(=O)c2cc(Br)ccc2Br)C1 401902188 MVWAPHLIISPRCQ-CQSZACIVSA-N 469.999 4.228 50 10 JIGE C[C@@H]1C[C@@H](Br)CN(C(=O)c2cc(I)ccc2Br)C1 401966281 UUFOQBANCTZQJU-RKDXNWHRSA-N 486.973 4.299 50 10 JIGE N#CCCn1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2O)c(-c2ccccc2)n1 915198219 FPVOKASJCMVIMB-LFIBNONCSA-N 462.307 4.478 50 10 JIGE C[C@@H]1C[C@@H](C)CN(CCCCNC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)C1 920475811 GOPWQHJHOVKVMC-DQPUHINBSA-N 458.610 4.245 50 10 JIGE CC(=NNC(=O)CSc1nnc(-c2ccc(Br)cc2)n1N)c1ccc2ccccc2c1 1083955300 ZLRHPVBBISZILY-UHFFFAOYSA-N 495.406 4.207 50 10 JIGE COc1ccc(Br)cc1C=NNC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 1084540299 PGDRFGODMNIFSV-UHFFFAOYSA-N 478.652 4.219 50 10 JIGE CCCCC(=O)NN=Cc1ccc(OCc2ccccc2C#N)c(I)c1 1084553095 SUOGQNDHTADTPA-UHFFFAOYSA-N 461.303 4.382 50 10 JIGE C#C[C@H](NC(=O)NNc1cc(OC)ccc1Br)c1ccc(Br)cc1 1478897475 ZSKCTJSGWANDJH-HNNXBMFYSA-N 453.134 4.221 50 10 JIGE C/C(=C/C(=O)NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)c1cccc(Cl)c1 1618649936 QCZGFCULYVEGGJ-ICFOKQHNSA-N 457.921 4.452 50 10 JIGE C=CCc1cc(CNC(=O)NNc2ccc(OC)cc2Br)cc(OC)c1OC 1683367422 OSYDKPYOIDQKNT-UHFFFAOYSA-N 450.333 4.030 50 10 JIGE Cc1c(C(=O)N2CCN(c3ccccc3)CC2)oc2c1C(=NNC(=O)c1ccccc1)CCC2 1772745170 UMWQLMVYWZGNBJ-UHFFFAOYSA-N 456.546 4.021 50 10 JIGE Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccc(C(=O)O)cc2)cc1 1865708999 KYPZIJZRCKWWQZ-QGZVFWFLSA-N 454.408 4.175 50 10 JIGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1cc(OC)c(OC)cc1OC)C(C#N)=C(N)O2 1865710549 BLMYPOCZKVUDHH-QHCPKHFHSA-N 478.524 4.267 50 10 JIGE Cc1cc(F)c(C[C@@H](Br)CN2C(=O)c3ccccc3C2=O)c(Br)c1 1905315498 ZUBIADRKTZNHSV-LLVKDONJSA-N 455.121 4.499 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CCCC[C@@H](Br)C1 2050114632 CWZXSYAYDJZHME-SNVBAGLBSA-N 486.973 4.443 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@](CI)(O[C@@H]2COC3(CCCC3)C2)C1 2069129869 XVYJEIAYIGQIIM-HNAYVOBHSA-N 465.372 4.309 50 10 JIGE C#CC[C@@](C)(CBr)CNC(=O)c1cccc(Br)c1Br 2140715113 SIBLGCFPERODHT-AWEZNQCLSA-N 451.984 4.366 50 10 JIGE O=C(N[C@@H]1C(F)(F)C12CC(NC(=O)[C@H](Br)C1CCCC1)C2)OCc1ccccc1 2142152365 JTCWHPFHEWRVNQ-WXNRQPJFSA-N 471.342 4.149 50 10 JIGE O=C(N[C@@H]1C[C@H](CBr)[C@H]2C[C@@H]21)c1ccc(Br)cc1I 2142285251 NOSCAKRKTCKVCK-DRYIUFOISA-N 498.984 4.203 50 10 JIGE CCCN1CC[C@@H]([C@@H](Br)c2cccc(Br)c2Br)S1(=O)=O 2148760685 MVOORNUYWOEVRV-AAEUAGOBSA-N 490.055 4.462 50 10 JIGE Cc1ccc(CBr)cc1S(=O)(=O)N1CCC(N(C)Cc2ccccc2)CC1 2179776263 SFNLPTBGDVALDE-UHFFFAOYSA-N 451.430 4.175 50 10 JIGE C[C@@H](Br)C[C@H]1COCCN1C(=O)c1c(Br)cccc1Br 2185307165 AWSUXGNGABOKMG-ZJUUUORDSA-N 469.999 4.226 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)NC[C@@H](Br)CBr 2252833833 ZMTGWRJNDUKZKV-JTQLQIEISA-N 492.831 4.029 50 10 JIGE CC(C)(C)OC(=O)NC[C@@H]1CN(CCCCI)C[C@H]1c1ccccc1 2256398269 IBYMJOQNRXQBAJ-MSOLQXFVSA-N 458.384 4.442 50 10 JIGE C=CCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2cc(C)c(Cl)c(C)c2)c(OC)c1 2293198147 ZBUYIJCUPHFTFY-UHFFFAOYSA-N 454.910 4.159 50 10 JIGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc(Br)c1OC(C)=O 2297551598 TUMRPMUJJZYCNL-UHFFFAOYSA-N 474.267 4.227 50 10 JIGE CC(C)(C)OC(=O)N1CCC(CI)(OC[C@H]2C[C@@]23CC3(F)F)CC1 2307387539 VJHVDPFQNOPXIW-MLGOLLRUSA-N 457.299 4.253 50 10 JIGE C=CCOc1ccc(C=C2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1OCC 2314617350 WPTBTKQIJROBCU-UHFFFAOYSA-N 472.497 4.171 50 10 JIGE COc1cc(C=C(C#N)C(=O)NC(C)C)ccc1OC(=O)COc1ccc(C(C)(C)C)cc1 2314737526 RWGJWQPXYHWAHU-UHFFFAOYSA-N 450.535 4.409 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@H]2CC[C@H]1[C@@H](Br)C2 2349951785 AZSXLWWLUFCEDC-QWRKXWFKSA-N 498.984 4.442 50 10 JIGE CC(C)(C)OC(=O)N1CC[C@H](C(F)(F)F)N(C[C@@]2(CBr)CC2(F)F)CC1 2351884965 CBDBXIWOKHTMOF-RISCZKNCSA-N 451.274 4.280 50 10 JIGE Cn1nc(Br)c(Br)c1C(=O)N(CCBr)CCC(C)(C)C 2364007051 NDLUXLGGEGOOPI-UHFFFAOYSA-N 474.035 4.218 50 10 JIGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)/C=C/c1ccc(Cl)cc1 14833994 SWRSAPSOYIGQOP-VKJYCEFSSA-N 472.781 4.149 50 10 JIGE O=C(NNc1ncnc(Nc2ccccc2Cl)c1[N+](=O)[O-])c1ccccc1Br 40648153 PYRLRAOWLBXKST-UHFFFAOYSA-N 463.679 4.301 50 10 JIGE CCc1cccc(OCC(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2OC)c1 40870099 BPIMJGBLINRNLF-OEAKJJBVSA-N 470.525 4.465 50 10 JIGE CC(C)(C)SCC(=O)N/N=C1\C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 59153653 JXMRKIICQHVJDV-QQTULTPQSA-N 474.424 4.390 50 10 JIGE CCOc1ccc(/C=C2\C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1OCC 214404255 HSRIOWAQDQCPAT-JCMHNJIXSA-N 460.530 4.328 50 10 JIGE COc1ccc([C@H](C)N/C=C(/C#N)C(=O)Nc2ccc(I)cc2C)cc1 217253828 REZSUXOWEZLXDY-QXPQOBGOSA-N 461.303 4.305 50 10 JIGE COc1ccc(C=NNC(=O)c2cccc([N+](=O)[O-])c2)cc1COc1ccc(C)cc1[N+](=O)[O-] 252624198 PISYYRSHIQRVLE-UHFFFAOYSA-N 464.434 4.163 50 10 JIGE Cc1cccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2c(O)ccc3ccccc23)c1 254557831 DKPZYVJNCANTSX-UHFFFAOYSA-N 466.497 4.195 50 10 JIGE COc1cc([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)ccc1O 382705493 FICZMRRFHIPFLZ-IAGOWNOFSA-N 467.303 4.188 50 10 JIGE C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12 727705862 CIKWUQGVWZHEKQ-CYBMUJFWSA-N 478.455 4.274 50 10 JIGE Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(OCCn3cncn3)c2)c(C)n1-c1ccc(F)cc1 917688509 CMKPRTUWVUXXTE-BKUYFWCQSA-N 470.508 4.449 50 10 JIGE O=C(Cn1c(C(F)(F)F)nc2ccccc21)NN=Cc1ccc(OC(=O)/C=C/c2ccco2)cc1 1084241030 IKOVUFNHGMYHCA-PPOXXRFGSA-N 482.418 4.417 50 10 JIGE Cc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1cccc([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865706312 SWOUCDCWAFYKFP-GOSISDBHSA-N 452.268 4.070 50 10 JIGE C/C(=N\NC(=O)c1ccc(-c2ccc(F)c(F)c2)nc1C)c1ccc2c(c1)N(C)C(=O)[C@H](C)O2 1865763045 QTVXFWFAWLVLQR-KTBDRLKFSA-N 464.472 4.233 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@@H]2CC[C@]2(CBr)C1 1903984867 TZBWKMVCHPGWKY-XPTSAGLGSA-N 498.984 4.301 50 10 JIGE O=C(c1cc(Br)sc1Br)N1[C@H](CBr)C[C@@H]2OCC[C@H]21 2090530741 MRSDXRLRPTYSHA-ZQARSLAVSA-N 474.012 4.040 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CC[C@@H](Br)[C@H]1C1CC1 2130611530 LWNFCKHARBUCLG-CHWSQXEVSA-N 498.984 4.442 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CC[C@@H](CCl)C(F)(F)C1 2146382044 DSDFBTLTLHEDFH-QMMMGPOBSA-N 478.502 4.390 50 10 JIGE O=S(=O)(NCCC(F)(F)CBr)c1c(Cl)cc(Br)cc1Cl 2184613848 BXLYMEHWHJINQN-UHFFFAOYSA-N 475.964 4.455 50 10 JIGE C[C@H](Br)C[C@@H]1COCCN1C(=O)c1cc(Br)ccc1Br 2185319785 SGSCKZMWLOOYAE-GXSJLCMTSA-N 469.999 4.226 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@@H](F)C[C@H](Br)C1 2219185310 VWIMQRHFWQXSJL-YUMQZZPRSA-N 490.936 4.001 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1C[C@@H](CBr)C2(CC2)C1 2268344336 KHWLSACEIBQHPY-SNVBAGLBSA-N 454.533 4.192 50 10 JIGE COc1ccc([C@@H](Cl)c2c(Br)c(C)nn2C)cc1I 2269550509 ILLKFMPJCOMDEQ-GFCCVEGCSA-N 455.521 4.432 50 10 JIGE COc1ccc([C@H](Cl)c2c(Br)nn(C)c2C)cc1I 2269557902 WSCFFSJHAQAOIL-LBPRGKRZSA-N 455.521 4.432 50 10 JIGE CCOc1cc(C=C(C#N)C(=O)Nc2cc(Cl)ccc2OC)ccc1OCCN1CCOCC1 2295326914 FIVRQCKJEUGGRJ-UHFFFAOYSA-N 485.968 4.004 50 10 JIGE CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1cc2ccc(C)cc2nc1Cl 2297660240 JDLBHMJRNCTQMG-MRXNPFEDSA-N 450.992 4.293 50 10 JIGE Cc1ccc(NCC(=O)NN=Cc2cc([N+](=O)[O-])ccc2N2CCCCC2)c(Br)c1 2297710019 AXJQUTSNLYHWHR-UHFFFAOYSA-N 474.359 4.218 50 10 JIGE CC(C)[C@@H]1C[C@H](Br)CN1c1ncc(I)cc1Br 2304248435 FOJWAHANWHKVKR-KWQFWETISA-N 473.978 4.447 50 10 JIGE CCOc1ccc(NC(=O)C(C#N)=Cc2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)cc1 2313562398 QOQZUWSTPFASRT-UHFFFAOYSA-N 473.485 4.435 50 10 JIGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)C=Cc1cccc2ccccc12 2313620673 JZUYCDXCTXZZCD-GOSISDBHSA-N 461.587 4.467 50 10 JIGE CCCOc1ccc(C=C(C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1 2314736399 HPTRJVRXXJYUSM-UHFFFAOYSA-N 462.531 4.217 50 10 JIGE CCCOc1ccccc1C=C(C#N)C(=O)Oc1ccc(C=C(C#N)C(=O)OCC)cc1OC 2314774027 PEVLZMDLTRTCRS-UHFFFAOYSA-N 460.486 4.467 50 10 JIGE O=S(=O)(N[C@H](CCCl)COCc1ccccc1)c1ccc(F)c(Br)c1 2320659515 CPZDHFXUJWUCAW-CQSZACIVSA-N 450.757 4.081 50 10 JIGE CCN(CC)Cc1ccc(C=NNC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc1 2325904114 BMCJSBLFRBWBBX-UHFFFAOYSA-N 487.629 4.426 50 10 JIGE CC[C@@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(-c3ccccc3)cc2)cc1 10295902 DRACUVIKOOOOQJ-GOSISDBHSA-N 477.586 4.245 50 10 JIGE CC(C)c1ccc(OCC(=O)NNC(=O)/C=C/c2ccccc2Cl)c(Br)c1 12580245 XIOGBIVZXCTISP-CSKARUKUSA-N 451.748 4.466 50 10 JIGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)c2cccc(OCCOc3ccccc3)c2)c1 14040922 PIDCIFLGLFSFPG-UHFFFAOYSA-N 462.546 4.416 50 10 JIGE COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)ccc1OCC(=O)Nc1ccccc1 35519969 WBRNBZWQJFAVKT-UQRWVXEISA-N 455.514 4.497 50 10 JIGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc([N+](=O)[O-])c2)cc1 38654112 BDFOJMQDMQAHGT-VWLOTQADSA-N 471.469 4.360 50 10 JIGE COc1ccc(N(C(=O)/C(C#N)=C/c2ccccc2OC)S(=O)(=O)c2ccc(C)cc2)cc1 40977763 HPTMVHRSPWYGGY-CAPFRKAQSA-N 462.527 4.341 50 10 JIGE Cc1cccc(C)c1OC1CCN(C(=O)CCC(=O)C(C#N)=C2N(C)c3ccccc3N2C)CC1 108863172 QUQSSTHXBHCMLW-UHFFFAOYSA-N 472.589 4.344 50 10 JIGE COc1ccc(C(=O)NN=Cc2cc(Br)c(OC(=O)c3ccccc3)c(OC)c2)cc1 252627680 RZKUHSSBTBOQPD-UHFFFAOYSA-N 483.318 4.449 50 10 JIGE CCOc1ccc(-n2c(SCC(=O)NN=Cc3ccc(C)o3)nnc2-c2ccccc2)cc1 254721247 DFFWAUPOLQSROH-UHFFFAOYSA-N 461.547 4.477 50 10 JIGE CC[C@H]1CN(C(=O)c2cc(Br)ccc2I)C[C@@H]1Br 399967691 HGRCQRABJZHCJP-KWQFWETISA-N 486.973 4.299 50 10 JIGE 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 504656837 AEDZUDVIFQHWGD-NJFPJBCMSA-N 483.443 4.081 50 10 JIGE C[C@H](CBr)[C@@H](C)NC(=O)c1ccc(I)c(Br)c1 721591666 DOHMRELWJHZWBN-HTQZYQBOSA-N 474.962 4.203 50 10 JIGE CCOc1ccc(-n2c(C)cc(C=NNC(=O)C(=O)Nc3ccc(Br)cc3)c2C)cc1 1084355515 UYIFZNULEQSPGZ-UHFFFAOYSA-N 483.366 4.344 50 10 JIGE O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)NN=Cc1cccc(Br)c1 1084440849 LGBVUTPCRLWYJS-UHFFFAOYSA-N 493.390 4.334 50 10 JIGE CC(=O)c1ccc(OCCCC(=O)NNc2cc(C(F)(F)F)nc(-c3cccnc3)n2)cc1 1457631050 BWJANIFUUXRYBY-UHFFFAOYSA-N 459.428 4.062 50 10 JIGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@H](c2ccc(O)cc2O)C(C#N)=C(N)O3)cc1 1865681628 RWHRVIMXIYANHE-HSZRJFAPSA-N 482.496 4.186 50 10 JIGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(OC)c(O)c1)C(C#N)=C(N)O2 1865682152 HMMYMEYQFOJJCW-NRFANRHFSA-N 450.926 4.470 50 10 JIGE CN1C(=O)C(C)(C)c2cc(C(=O)N[C@H](Cc3ccccc3)C(=O)Nc3ccc(SC#N)cc3)ccc21 1867204354 NFXCFPXVVMZKGU-HSZRJFAPSA-N 498.608 4.494 50 10 JIGE CN(C[C@H](Br)COCc1ccccc1)C(=O)c1ccccc1I 1916375021 PVIOPQDVQAIDNQ-HNNXBMFYSA-N 488.163 4.344 50 10 JIGE O=S(=O)(c1cc(CBr)sc1Br)N(Cc1ccccc1)[C@@H]1CCOC1 2009622541 RROULMJRLPQCDS-CYBMUJFWSA-N 495.258 4.385 50 10 JIGE BrC[C@@H]1CCCCN(c2ncc(I)cc2Br)C1 2015758726 LMVWDAZXOCCWMH-VIFPVBQESA-N 473.978 4.450 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@@H](Cl)[C@H](C2CC2)C1 2090672853 BUFOYVDLLJOPCC-WCQYABFASA-N 454.533 4.143 50 10 JIGE C[C@H]1CN(S(=O)(=O)c2ccc(CBr)cc2Cl)CCN1Cc1ccccc1 2123200304 GGUVPJYUFYHSEA-HNNXBMFYSA-N 457.821 4.130 50 10 JIGE O=C(Cc1ccccc1I)NC[C@H]1CCCC[C@@H]1CBr 2143868614 PXEKSMXRCHJKBF-ZIAGYGMSSA-N 450.158 4.151 50 10 JIGE CC(C)(C)OC(=O)NCCN(C1CCCC1)S(=O)(=O)c1ccc(CBr)cc1 2186605299 GWWIOFGXCQVVPC-UHFFFAOYSA-N 461.422 4.040 50 10 JIGE O=C(c1scc(Br)c1Cl)N1C[C@H](Br)[C@@H](Br)C1 2242694820 MXDSIWXAZUNKKB-WHFBIAKZSA-N 452.393 4.147 50 10 JIGE O=C(c1c(F)cccc1I)N1[C@H](CBr)C[C@@H]2CCC[C@@H]21 2282780647 QIXRQIPNHJYLAJ-KWBADKCTSA-N 452.105 4.208 50 10 JIGE COC(=O)c1ccc(-n2c(C)cc(C=C(C#N)C(=O)N3CCN(c4ccccc4)CC3)c2C)c(C)c1 2313566919 DIPCRHKQGWEHGC-UHFFFAOYSA-N 482.584 4.445 50 10 JIGE O=C(N[C@H]1C[C@@H](CBr)[C@H]2C[C@@H]12)c1ccc(Br)cc1Br 2329870998 SPWPYYOPAQTHRE-ODDDBGHMSA-N 451.984 4.361 50 10 JIGE Cc1cc(S(=O)(=O)C(F)(F)[C@H](F)Cl)ccc1NC(=O)NC(=O)c1c(F)cccc1F 31500282 DCOVPDBQSQOHDS-HNNXBMFYSA-N 470.803 4.136 50 10 JIGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccccc3F)nc3ccccn3c2=O)cc1 39992987 BCGIMVSSDQSDIK-OBGWFSINSA-N 498.470 4.348 50 10 JIGE COc1ccccc1/C=C(\C#N)C(=O)Oc1ccc2cc(C(=O)NCc3ccccc3)c(=O)oc2c1 40890851 LQNGDRPCFKZQQW-FYJGNVAPSA-N 480.476 4.244 50 10 JIGE CC/C(=N/NC(=O)CCCSc1nnc(-c2ccccc2Br)n1N)c1ccccc1 58990880 ACXXAGRMKSPAEJ-MOHJPFBDSA-N 487.427 4.224 50 10 JIGE COc1ccc(Cn2cccc(C(=O)N/N=C\c3ccc(OC(C)C)c(Cl)c3)c2=O)cc1 169920990 YDSLNHBXYOAHAN-WGARJPEWSA-N 453.926 4.110 50 10 JIGE Cc1cc(O)nc(COc2c(Br)cc(CBr)cc2Br)n1 700446455 ACRHKTZLSIMPAA-UHFFFAOYSA-N 466.955 4.490 50 10 JIGE CN(C(=O)c1cc(I)ccc1Br)[C@H]1CCC[C@H]1Br 709264728 AHTIOHZMOVCXJB-NEPJUHHUSA-N 486.973 4.442 50 10 JIGE O=C(N[C@H](CBr)CC(F)F)c1ccc(I)c(Cl)c1 717779248 XQXIHRRIZVOVQI-ZETCQYMHSA-N 452.464 4.093 50 10 JIGE CN(C)[C@H](CNC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1)c1ccccc1 827533318 DHGNCEITPAHNSY-HVUZKSCUSA-N 472.980 4.443 50 10 JIGE C[C@H](Nc1ccc(F)cc1)C(=O)NN=Cc1cc(Br)c(O)c(Br)c1 1083922639 QCAQDUPOIAFAAJ-VIFPVBQESA-N 459.113 4.007 50 10 JIGE CCOc1ccccc1N(CC(=O)NN=Cc1cc(C)n(-c2cc(C)cc(C)c2)c1C)S(C)(=O)=O 1084530470 PVHPFFLBWAHRSB-UHFFFAOYSA-N 496.633 4.026 50 10 JIGE CC[C@@H](NC(=O)CCSc1nnc(-c2ccccc2)n1C)C(=O)Nc1ccc(SC#N)cc1 1867075139 HXQPEMNNIJXRDJ-LJQANCHMSA-N 480.619 4.071 50 10 JIGE CCC[C@@H](NC(=O)c1nc(C(F)(F)F)n2ccccc12)C(=O)Nc1ccc(SC#N)cc1 1867286806 YOVHAQSZZULMLF-OAHLLOKOSA-N 461.469 4.463 50 10 JIGE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1 1873794789 AWYHVOFVBFPJNV-IEIKYZJLSA-N 487.556 4.492 50 10 JIGE COC(=O)[C@H](Br)CSc1cc(I)ccc1Br 1900792187 SNRDFSDQJQZSRO-MRVPVSSYSA-N 479.959 4.082 50 10 JIGE O=C(c1ccc(F)cc1I)N1C[C@@H](CBr)C2(CCC2)C1 1914491276 HMLIXVIUULYGFM-SNVBAGLBSA-N 452.105 4.068 50 10 JIGE C[C@@H]1C[C@H](Br)CCN1c1ncc(I)cc1Br 1988534093 FUKMPSJINFNTKE-HTQZYQBOSA-N 459.951 4.201 50 10 JIGE CC(C)N(CCBr)C(=O)c1ccc(Br)cc1I 2026219914 ZSMPCMVKQOEJMF-UHFFFAOYSA-N 474.962 4.299 50 10 JIGE COC[C@](C)(CCBr)NC(=O)c1csc(Br)c1Br 2040246276 DZEACCXFYMWJAT-NSHDSACASA-N 464.017 4.193 50 10 JIGE ClCCCCc1cn(-c2cc(I)cc(I)c2)nn1 2053195306 GMCJXORIJCFVSE-UHFFFAOYSA-N 487.510 4.038 50 10 JIGE CN(CC1CC(Br)C1)C(=O)c1ccc(Br)cc1I 2086146471 ACQCOQCWAWDAQH-UHFFFAOYSA-N 486.973 4.299 50 10 JIGE CCN1CC[C@H]([C@@H](Br)c2ccc(Br)cc2Br)S1(=O)=O 2089525084 YJEZJNHMWYOAEH-NEPJUHHUSA-N 476.028 4.072 50 10 JIGE CSCC[C@@H](Br)CCNC(=O)c1cccc(C)c1I 2090383918 DAXDDLDNHTWHKR-NSHDSACASA-N 456.187 4.236 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CC2(CC2)C[C@@H]1CBr 2099155807 XHKNYVZHPCXHLC-SNVBAGLBSA-N 498.984 4.443 50 10 JIGE CN(C)C[C@H]1C[C@@H](Br)CN1Cc1cccc(Br)c1Br 2122394012 UFIJNGVZXSIEGG-VXGBXAGGSA-N 455.032 4.111 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1CC[C@@H](CBr)C12CC2 2133831623 ODEDHHJRNNEBAU-JTQLQIEISA-N 454.533 4.334 50 10 JIGE O=S(=O)(c1cc(Cl)c(Br)s1)N1C[C@H]2[C@H](Br)CCC[C@H]2C1 2150963528 BIROIDLLFHNHAI-DJLDLDEBSA-N 463.644 4.348 50 10 JIGE C[C@H](Br)[C@H](NC(=O)c1ccc(Cl)c(I)c1)C(F)(F)F 2268352772 QLTWUAKNTGSGSJ-CDUCUWFYSA-N 470.454 4.389 50 10 JIGE CC(CC(=O)Nc1ccc(Cl)cc1)=NNC(=O)COc1ccc(Br)cc1C 2296441680 AVJVLMIBXPULOS-UHFFFAOYSA-N 452.736 4.311 50 10 JIGE N#CC(C(N)=O)=C1S[C@@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(Br)cc1 2296836408 MNWIEBHWUGVUTQ-INIZCTEOSA-N 462.756 4.014 50 10 JIGE O=C(NN=C1C(=O)N(CC=Cc2ccccc2)c2ccccc21)c1cc(Br)ccc1O 2313643904 RCVLSXUIRAJEDD-UHFFFAOYSA-N 476.330 4.349 50 10 JIGE COc1ccc(CCN2C(=O)C(=CNc3cccc(C(F)(F)F)c3)C(C)=C(C#N)C2=O)cc1 2314585879 ZKMMIMMWCLZGBL-UHFFFAOYSA-N 455.436 4.461 50 10 JIGE CCOC(=O)C1CCN(C(=O)C(C#N)=CNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 2324561508 AMYSAVHPAXNDGF-UHFFFAOYSA-N 463.378 4.345 50 10 JIGE Clc1ccc(CN2CC3(C2)OCCC[C@H]3Br)c(I)c1 2341059598 MLKXKFSGFMLXLB-CYBMUJFWSA-N 456.549 4.073 50 10 JIGE N#C/C(=C/c1ccc(OC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1)c1ccccc1F 31901635 HYWGQPGLFMYHLP-FXBPSFAMSA-N 492.528 4.130 50 10 JIGE O=C(NNc1ncnc(N2CCC(Cc3ccccc3)CC2)c1[N+](=O)[O-])c1ccc(Cl)cc1 40611762 DZNRSNGXVCHCFV-UHFFFAOYSA-N 466.929 4.254 50 10 JIGE CCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1=O 101332749 DPYINHRXWNRBGD-HYARGMPZSA-N 467.485 4.450 50 10 JIGE CC(C)Oc1c(Br)cc(/C=N\NC(=O)c2ccc(O)cc2)cc1Br 169886552 RQIDEMHOOCIKDX-UKWGHVSLSA-N 456.134 4.468 50 10 JIGE CC(=NNC(=O)[C@@]1(C)CC1(Br)Br)c1ccc(NC(=O)C2CCC2)cc1 252621931 NKIMFHQTGOLIHY-QGZVFWFLSA-N 471.193 4.162 50 10 JIGE CC(=O)Oc1ccc(C=NNC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)cc1 254346706 AJDVMNIGECAVLJ-UHFFFAOYSA-N 493.585 4.081 50 10 JIGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccccc3)cc2OC)cc1 254714553 KZUGKRMGRQFFJO-UHFFFAOYSA-N 462.502 4.232 50 10 JIGE COc1cc(C=NNC(=O)CNC(=O)c2cccc3ccccc23)ccc1OC(=O)c1ccc(C)cc1 254893828 DZVFNLBZHHZRJL-UHFFFAOYSA-N 495.535 4.256 50 10 JIGE ClCc1cccc(Cl)c1-n1cnc(I)c1I 309168561 JDISSCWOQWDDIS-UHFFFAOYSA-N 478.886 4.474 50 10 JIGE O=S(=O)(NC1(CCBr)CCSCC1)c1cc(Cl)c(Br)s1 719648427 XRQBDJANZBRQFN-UHFFFAOYSA-N 483.700 4.493 50 10 JIGE CC(C)[C@@H](CBr)CNC(=O)c1ccc(I)c(Br)c1 721592910 HUQBTKFDMRVEPH-JTQLQIEISA-N 488.989 4.451 50 10 JIGE COc1cc(C(=O)NNC(=O)C2CCN(c3nc4ccccc4s3)CC2)ccc1OCCC(C)C 727366375 WPUFUWNQHZPQHT-UHFFFAOYSA-N 496.633 4.407 50 10 JIGE C[C@@H](OC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1)C(=O)N(C)C1CCCCC1 761396159 BYORDCSTQBIDLD-SRMPHAGFSA-N 459.550 4.094 50 10 JIGE CNC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3F)c2C)c1 853245020 HKQYJADKSSWCNX-PKIWBCANSA-N 488.519 4.070 50 10 JIGE Cc1ccc(COc2ccc(C=NNC(=O)CN(c3ccc(Cl)cc3)S(C)(=O)=O)cc2)cc1 1083859537 RLJVZJBTIRTHLS-UHFFFAOYSA-N 485.993 4.144 50 10 JIGE Cc1ccc(S(=O)(=O)Oc2ccc(C=NNC(=O)CSc3ccccc3C)cc2)cc1 1084500053 PPGFTHHONJKEKF-UHFFFAOYSA-N 454.573 4.314 50 10 JIGE COc1ccc([C@H]2CN(Cc3ccccc3)C[C@@H]2CI)cc1[N+](=O)[O-] 1614615266 PCLFPGMXFXLCRF-DLBZAZTESA-N 452.292 4.254 50 10 JIGE COc1ccc(/C(C#N)=C/c2ccc(OC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)cc2)cc1OC 1615099385 QRMCJRLWSWWHLD-RCCKNPSSSA-N 492.553 4.237 50 10 JIGE COc1cccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4ccc(OC)cc4OC)c(C)c32)c1 1772750249 YCNHJGXQGCNAEP-UHFFFAOYSA-N 477.517 4.337 50 10 JIGE Cc1sc2ncn(CC(=O)N/N=C/c3c(Cl)nc4scc(C)n34)c(=O)c2c1-c1ccccc1 1860773089 POWXRHFPDCDXPH-ZNLRHDTNSA-N 497.005 4.255 50 10 JIGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccn2)cc(OC)c1OC 1865692439 MCYYFXMZDVIZGW-QFIPXVFZSA-N 481.512 4.178 50 10 JIGE N#CSc1ccc(NC(=O)[C@@H](NC(=O)c2cc(-c3cccnc3)on2)c2ccccc2)cc1 1867164586 RQZLNBKXYDHSKQ-QFIPXVFZSA-N 455.499 4.420 50 10 JIGE CCOc1ccc(I)c(C(=O)CBr)c1OC(F)(F)F 2055052200 MCFSQGLVULQWGH-UHFFFAOYSA-N 452.992 4.166 50 10 JIGE C[C@H](Br)[C@@H]1CCCN1C(=O)c1cc(Br)ccc1I 2073312377 KOJNCJRFQHAJJG-UFBFGSQYSA-N 486.973 4.442 50 10 JIGE CCN(CC)S(=O)(=O)C[C@@H](Br)c1cc(Br)cc(Br)c1 2089400042 KGSNERPSNKWPMA-GFCCVEGCSA-N 478.044 4.319 50 10 JIGE O=S1(=O)CC[C@@H](C(CBr)(CBr)Cc2csc(Br)c2)C1 2139778404 BDTFWLLJJYQRKB-SNVBAGLBSA-N 495.096 4.264 50 10 JIGE COc1cc(F)c(Cl)cc1[C@@H](Br)c1cnn(C)c1I 2142370882 AGTQSBILADCLBU-LLVKDONJSA-N 459.484 4.310 50 10 JIGE CN(C(=O)c1ccc(F)cc1I)C1(CBr)CC(C)(C)C1 2164568386 RNSYIMLPJYNSBB-UHFFFAOYSA-N 454.121 4.456 50 10 JIGE O=C(c1cccc(F)c1I)N1CC[C@H](Br)CC12CCC2 2169894283 RVZNJXJRURBLSS-JTQLQIEISA-N 452.105 4.353 50 10 JIGE C[C@@H]1CN(S(=O)(=O)c2cc(Cl)cc(CBr)c2F)CCN1Cc1ccccc1 2179861857 NMXHLIDUGUUEGX-CQSZACIVSA-N 475.811 4.269 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)NCC[C@@H](Br)C1CC1 2277932236 YQUYUJLSOIUBKB-CYBMUJFWSA-N 454.000 4.434 50 10 JIGE O=C(N[C@]1(CBr)C[C@H]2CC[C@H]1C2)c1cccc(F)c1I 2283928117 HLGVYMOAFDCGGG-YHAQOWFVSA-N 452.105 4.114 50 10 JIGE O=C(NN=Cc1ccc(Br)cc1)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2295483070 WYJLWCHPHYDCJF-UHFFFAOYSA-N 492.329 4.099 50 10 JIGE COc1ccc([C@@H](C)NC(=O)C(C#N)=CNc2ccc(I)cc2C)cc1OC 2325045129 BLRKOTAUMXRFLD-CQSZACIVSA-N 491.329 4.314 50 10 JIGE N#CC(=C(O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2ccc(F)c(F)c2)cs1 2331352430 ULGYDZJWMPBBQY-UHFFFAOYSA-N 482.424 4.475 50 10 JIGE C[C@@H](Br)C[C@@H]1COCCN1Cc1ccc(Cl)c(I)c1 2337213813 CWYHYGMZMFWPFC-ZYHUDNBSSA-N 458.565 4.319 50 10 JIGE O=C(NC1CC([C@H](F)CBr)C1)c1ccc(Cl)cc1I 2340065457 KXECMLSWQCLTSZ-LKXRVVKTSA-N 460.512 4.186 50 10 JIGE Cc1ccc(CNC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cncc(Br)c2)CCC3)cc1 40822911 WNEARJKLENIEPA-TURZUDJPSA-N 495.377 4.454 50 10 JIGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 101333759 OSEAKFGYPQDXMT-LPYMAVHISA-N 467.485 4.448 50 10 JIGE CCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)N3CCOCC3)cc2OC)cc1 207192925 SGLRWQOIHWSBEW-QWMFBCTLSA-N 490.556 4.259 50 10 JIGE CCCCOCCCNC(=O)/C(C#N)=C\N1CCN(C(c2ccccc2)c2ccccc2)CC1 216821168 VMJQPTJEDMYTBH-RWEWTDSWSA-N 460.622 4.124 50 10 JIGE Cc1ccc(S(=O)(=O)N2C[C@@]3(C)C[C@H]2[C@@H](Br)C[C@]3(C)Br)cc1 254743659 BKSBXIIEJGSZRP-JONQDZQNSA-N 451.224 4.085 50 10 JIGE C[C@@H]1C[C@H](CCl)CN(C(=O)c2cc(Br)ccc2I)C1 398614652 BQQZXPVZPLAETE-NXEZZACHSA-N 456.549 4.391 50 10 JIGE N#CSc1ccc(NC(=O)Nc2cccc(C(=O)N3CCN(c4ccccn4)CC3)c2)cc1 586718664 XUDBSGMCOKAUAM-UHFFFAOYSA-N 458.547 4.261 50 10 JIGE CCc1ccc(C(=O)/C=C2\SC(=Nc3ccccc3C(=O)CBr)NC2=O)cc1 606657159 MSWKDAHVKNOGEB-ODLFYWEKSA-N 457.349 4.444 50 10 JIGE COC[C@](C)(CBr)N(C)C(=O)c1scc(Br)c1Br 689296783 BIIGNASFMGKBEN-NSHDSACASA-N 464.017 4.145 50 10 JIGE O=C(NCc1ccccc1)C(=O)NN=Cc1cccc(OCc2c(Cl)cccc2Cl)c1 1084060637 VHWBFWQDUMFPIJ-UHFFFAOYSA-N 456.329 4.339 50 10 JIGE O=C(NN=Cc1ccccc1OCc1ccccc1)c1ccn(Cc2ccc([N+](=O)[O-])cc2)n1 1084295481 PZRMBEHYKWMBJU-UHFFFAOYSA-N 455.474 4.183 50 10 JIGE CC(C)(C)c1ccc(OCC(=O)NN=C2C(=O)N(Cc3cccc([N+](=O)[O-])c3)c3ccccc32)cc1 1084490446 SIXPDHQFSXWXRT-UHFFFAOYSA-N 486.528 4.338 50 10 JIGE N#CSc1ccc(NC(=O)Nc2ncccc2OCC(=O)Nc2nnc([C@@H]3CCCO3)s2)cc1 1858859942 MXOJIFVLGNMTDE-INIZCTEOSA-N 497.562 4.019 50 10 JIGE CCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3CC)cc1OC 1865691964 GHYFGAYVWHPNEM-KRWDZBQOSA-N 461.360 4.243 50 10 JIGE CC1CC(CBr)(N(C)c2ncc(I)cc2Br)C1 2015766586 NZIXBIJERIOAOT-UHFFFAOYSA-N 473.978 4.449 50 10 JIGE O=C(N[C@@H]1CC[C@H](CBr)C1)c1ccc(I)c(Br)c1 2029534950 LZYIGKDOVXYTEE-WCBMZHEXSA-N 486.973 4.347 50 10 JIGE C[C@@](CCl)(NC(=O)c1cc(Br)ccc1I)C(F)F 2043175754 CYSOUKUXYYCORA-NSHDSACASA-N 452.464 4.046 50 10 JIGE Cn1nnc(Br)c1C[C@H](CBr)Cc1cccc(Br)c1 2089733937 ASJUUDJDUIQKJL-SNVBAGLBSA-N 451.988 4.136 50 10 JIGE O=C(c1cc(Br)ccc1I)N1[C@H](CBr)[C@H]2CC[C@@H]1C2 2122174550 VWIXRNKKYGATKX-IYYTYJHQSA-N 498.984 4.442 50 10 JIGE Cc1csc(CBr)c1S(=O)(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1 2123232216 NJXOMRONWGKDRE-OAHLLOKOSA-N 457.459 4.094 50 10 JIGE O=C(NC[C@@H]1CC[C@@H](CBr)CO1)c1ccc(Br)cc1Br 2279404433 CLLPDOBZUQJZKX-ONGXEEELSA-N 469.999 4.132 50 10 JIGE COc1ccc([C@@H](Br)[C@H]2C[C@H](OC)[C@H](OC)C2)cc1I 2285015155 YTCRPMXPOWSJJD-QPKOPYBWSA-N 455.130 4.176 50 10 JIGE O=S1(=O)C[C@H]2[C@@H](C1)[C@@H]2[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2288345111 BVYGRPWABJJWOU-CVUZSJFPSA-N 494.977 4.216 50 10 JIGE CC(C)(CBr)CS(=O)(=O)N1CCC[C@]2(CCCN(Cc3ccccc3)C2)C1 2290041683 ZASVGRYTGBYVSO-NRFANRHFSA-N 457.478 4.116 50 10 JIGE BrC[C@@H]1CN(Cc2ccc(I)c(Br)c2)CCS1 2306226602 ZRFBOKCPPQMOEB-SNVBAGLBSA-N 491.030 4.366 50 10 JIGE CCOC(=O)c1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccccc3)nc3ccccn3c2=O)cc1 2314531801 DZGVOACGSNIOOE-UHFFFAOYSA-N 480.480 4.209 50 10 JIGE COCCN1C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)C(C)=C(C#N)C1=O 2314618402 MZHVAPOLOFLMLV-UHFFFAOYSA-N 466.921 4.166 50 10 JIGE N#CC(=CNCCc1cccc(F)c1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2318454821 HBTZFURXKUHYSP-UHFFFAOYSA-N 468.576 4.299 50 10 JIGE CC(C)(CI)CN1CCCC[C@@H]1[C@@H]1CCCN(C(=O)C(F)(F)F)C1 2326677100 RXECBWVKCSTPGM-ZIAGYGMSSA-N 460.322 4.103 50 10 JIGE Clc1ccc(CN2C[C@H](Br)C3(CCOCC3)C2)cc1I 2362384203 XRMDLLXWBXHCGC-AWEZNQCLSA-N 470.576 4.321 50 10 JIGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3cccc(F)c3)n2-c2ccccc2)cc1OC 9273094 NCHWJTMUDDEUCA-UHFFFAOYSA-N 491.548 4.333 50 10 JIGE O=C(COc1ccc(Cl)cc1)NNC(=O)COc1c(Cl)cc(Cl)cc1Br 9779668 NRTQMJCPXYZLPC-UHFFFAOYSA-N 482.545 4.015 50 10 JIGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)c2ccc(NC(=O)C3CC3)cc2)c(Br)c1 14832293 ZBARSWNRBPTFKP-AWEZNQCLSA-N 488.382 4.151 50 10 JIGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(OC)c1 40968955 KPRUFUHWGKYFGV-MHWRWJLKSA-N 457.870 4.299 50 10 JIGE C/C(=N/NC(=O)CCCSc1nnc(-c2ccccc2Br)n1N)c1ccc(C)cc1 58991044 YSCBREUKYIFUJF-IWIPYMOSSA-N 487.427 4.143 50 10 JIGE O=C(N/N=C/c1cccc(Cl)c1O)[C@H]1CCCN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 59202465 GUKMWUVSSIWZQA-BYXSLANXSA-N 456.808 4.092 50 10 JIGE O=C(CNc1ccc2ccccc2c1)N/N=C\c1cc(Br)c(O)c(Br)c1O 78938391 RMBDLOATEPYBSI-AQHIEDMUSA-N 493.155 4.338 50 10 JIGE in-vitro C[C@H](Br)C1CCN(S(=O)(=O)c2cc(Br)ccc2Br)CC1 235466641 RDMLHAKEHBCCHX-VIFPVBQESA-N 490.055 4.396 50 10 JIGE O=C(NC[C@H]1CCC[C@@H]1CCl)c1cc(Br)ccc1I 236018599 DPWUVMGOLWKGKB-NXEZZACHSA-N 456.549 4.439 50 10 JIGE CC(=NNC(=O)c1c(Cl)c(C)nn1C)c1cccc(NC(=O)c2ccc(Br)o2)c1 252618600 LIGRHZBMXFKFEQ-UHFFFAOYSA-N 478.734 4.144 50 10 JIGE CC(=NNC(=O)c1ccc(CN2c3cccc4cccc(c34)S2(=O)=O)cc1)c1ccc(O)cc1 254736870 IFFCASPVUSCGHF-UHFFFAOYSA-N 471.538 4.408 50 10 JIGE N#CCCn1cc(/C=C(/C#N)C(=O)Nc2ccc(-n3ccnc3)c(F)c2)c(-c2ccccc2)n1 918663072 DNGAFIJQWQRYAK-UYRXBGFRSA-N 451.465 4.334 50 10 JIGE O=C1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)c2ccccc2N1C/C=C\c1ccccc1 1084199366 FNNSUTUBRWUBKJ-LOIFASAMSA-N 473.348 4.400 50 10 JIGE COc1ccccc1OCC(=O)NN=Cc1cc(C)n(-c2cccc(Br)c2)c1C 1084201950 JIJUWJGSOXRFJP-UHFFFAOYSA-N 456.340 4.394 50 10 JIGE CCOc1ccccc1N(CC(=O)NN=C(C)CCc1ccccc1)S(=O)(=O)c1ccccc1 1084508989 KLXHKOQMVQKKCL-UHFFFAOYSA-N 479.602 4.406 50 10 JIGE Cc1cc(C=NNC(=O)CC(=O)NCCc2ccccc2)c(C)n1-c1ccc(Br)cc1 1084514005 MQOFBDLQGGAGGJ-UHFFFAOYSA-N 481.394 4.056 50 10 JIGE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(CCCC)c2C)cc1 1125155473 HQEPEIMCBVHXPD-LTGZKZEYSA-N 454.596 4.257 50 10 JIGE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NNC(=O)c1ccc(OCCC)c(OC)c1 1540423859 YSQGRBPRDMJVTR-UHFFFAOYSA-N 452.429 4.142 50 10 JIGE Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)oc2c1C(=NNC(=O)Cc1ccccc1)CCC2 1772747866 GOOJUIPGBNWGPZ-UHFFFAOYSA-N 488.563 4.089 50 10 JIGE CS(=O)(=O)Cc1ccc(C(=O)NNC(=O)c2ccc(-c3ccc4ccccc4c3)s2)cc1 1860391617 RDRMBDNMPZZCQV-UHFFFAOYSA-N 464.568 4.188 50 10 JIGE CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865715047 UIRNYCIVHJVWMJ-LJQANCHMSA-N 451.870 4.310 50 10 JIGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1cc(OC)c(O)c(OC)c1)C(C#N)=C(N)O2 1865715069 UYXMRVGKXOCDLD-QFIPXVFZSA-N 460.534 4.133 50 10 JIGE CN1C(=O)C(C)(C)c2cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)Nc3ccc(SC#N)cc3)ccc21 1867204355 NFXCFPXVVMZKGU-QHCPKHFHSA-N 498.608 4.494 50 10 JIGE C[C@@H](CCBr)N(C)C(=O)c1ccc(I)c(Br)c1 1917109841 PIRPPWKPQOEGEH-QMMMGPOBSA-N 474.962 4.299 50 10 JIGE CC(C)(C)OC(=O)N[C@H](CBr)Cc1cc(Br)c2c(c1)OCCO2 1984038579 BGJCGXSLCCNEGE-NSHDSACASA-N 451.155 4.051 50 10 JIGE O=C(Nc1ccc(Br)c(I)c1)[C@H]1C[C@H](Br)C1 1991421395 JQJVZBLKZCTXSD-LJGSYFOKSA-N 458.919 4.166 50 10 JIGE O=S(=O)(C[C@@H](Br)c1cc(Br)c(Br)s1)N1CCCC1 2028953917 UVZSJSRDCVRZSQ-MRVPVSSYSA-N 482.057 4.135 50 10 JIGE COC[C@](C)(CBr)N(C)C(=O)c1csc(Br)c1Br 2032956158 MJZWKNKACXVWCC-NSHDSACASA-N 464.017 4.145 50 10 JIGE CC(C)(C)OC(=O)NC[C@@H]1CC[S@@](=O)(=NC[C@@H](Br)C(F)(F)F)C1(C)C 2044706754 WTWYHJJUZSIOPG-OZGSTZEOSA-N 451.349 4.103 50 10 JIGE O=S(=O)(c1ccc(Br)c(CBr)c1)N(Cc1ccccc1)[C@@H]1CCOC1 2059390445 OLNATHUPBBFCGI-MRXNPFEDSA-N 489.229 4.324 50 10 JIGE O=S(=O)(NC[C@H](CBr)C1CCC1)c1cc(Br)ccc1Br 2146172471 KNRWQUKIRGJYDW-JTQLQIEISA-N 490.055 4.301 50 10 JIGE CC(C)(C)OC(=O)N1CCC12CCS(=O)(=NC(=O)[C@@H](Br)C1CCCC1)CC2 2167035068 VJWMPGHJGLJAGL-SWUGJGIQSA-N 463.438 4.108 50 10 JIGE O=S(=O)(c1cc(CBr)n(C2CC2)c1)N1CCC(OCc2ccccc2)CC1 2179861026 ATLDILITQVINGP-UHFFFAOYSA-N 453.402 4.088 50 10 JIGE O=S(=O)(c1ccsc1CBr)N1CCN(Cc2ccccc2)C[C@@H]1C(F)(F)F 2186714247 FEJQHSSNDABZBJ-MRXNPFEDSA-N 483.375 4.080 50 10 JIGE COc1cc(C)c([C@H](Br)c2nn(C)nc2Br)cc1Br 2226972628 PWEAONCGIQPFSD-JTQLQIEISA-N 453.960 4.141 50 10 JIGE Cn1ncc([C@@H](Br)c2ccc3c(c2Br)CCO3)c1I 2229747440 OEEYQBLVIIVFGO-LBPRGKRZSA-N 497.956 4.206 50 10 JIGE Cc1ccc(I)c(C(=O)N2CC[C@@H](C(F)(F)CBr)C2)c1 2240906091 QJILAMAFYIBXSP-SNVBAGLBSA-N 458.084 4.092 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@@H]2C[C@H](Br)[C@H]1C2 2335067266 LFLIVJVYLJOJQJ-JIMOISOXSA-N 451.984 4.138 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1C[C@H]2CC[C@H]1C[C@@H]2Br 2337151222 MYCXYXBELGMNMI-VWYCJHECSA-N 454.533 4.333 50 10 JIGE CC(C)(C)OC(=O)N[C@]12CCC(F)(F)C[C@H]1CN(C[C@@H](Br)C(F)(F)F)C2 2344057097 MHJKYWSHZAXGQP-WDMOLILDSA-N 451.274 4.327 50 10 JIGE O=C(CSc1nnnn1Cc1ccco1)N(/N=C/c1ccccc1)c1cccc(C(F)(F)F)c1 11311889 OKGBBWIYHAFDON-LGJNPRDNSA-N 486.479 4.493 50 10 JIGE CC(=O)N1C(=O)[C@@]2(C(C#N)=C(N)OC3=C2C(=O)C[C@@H](c2ccc(C(C)C)cc2)C3)c2ccccc21 22579155 IBKPFXWSEPLUBE-WHLCRQNOSA-N 467.525 4.066 50 10 JIGE Cc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4ccc5c(c4)OCCO5)c(C)c32)c1 40811424 JUJIAZOHENPEIB-TURZUDJPSA-N 459.502 4.390 50 10 JIGE CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)cc1 40868348 QTYPGECFTNJGQG-HMMYKYKNSA-N 491.573 4.229 50 10 JIGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C(C#N)=C/c2ccccc2OC)c(OC)c1 40977789 YTWVJPFAZADZFM-RSKMIKRQSA-N 459.502 4.040 50 10 JIGE O=C(CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N/N=C/c1cc(Cl)cc(Cl)c1O 59462383 KBGWOHHEUKUUBH-TXNBCWFRSA-N 451.188 4.188 50 10 JIGE O=C(NNC(=O)C1(c2ccc(Cl)cc2)CCOCC1)c1ccc(COc2ccccc2)o1 108935382 DDNBOUSBWBYSAM-UHFFFAOYSA-N 454.910 4.021 50 10 JIGE O=S(=O)(N[C@H](CBr)Cc1ccccc1)c1cc(Cl)c(Br)s1 136902799 LTGYDIKZOFGXRJ-JTQLQIEISA-N 473.639 4.449 50 10 JIGE CCC(CBr)(CBr)NS(=O)(=O)c1c(Cl)cccc1Br 388540466 QXPAZWHXXMEXKN-UHFFFAOYSA-N 498.462 4.319 50 10 JIGE CC1(C)C[C@@H](Br)C[C@H](NC(=O)c2ccc(I)c(O)c2)C1 693896700 SHINIZPDXIIMQZ-QWRGUYRKSA-N 452.130 4.069 50 10 JIGE C[C@H]1CN(C(=O)c2cc(I)ccc2Br)C[C@]1(C)CCl 694698860 CKWOSEBQXFDEFQ-XPTSAGLGSA-N 456.549 4.391 50 10 JIGE NNC(=O)CN1C(=O)COc2ccc(-c3cc(-c4ccc(F)cc4)cc(-c4ccc(F)cc4)n3)cc21 725330990 PNAHZQQELSBEQD-UHFFFAOYSA-N 486.478 4.076 50 10 JIGE C[C@@H](COCC(F)(F)F)NC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1 742409455 DYMWVKFZCFVSON-CIKBWMHTSA-N 465.863 4.108 50 10 JIGE CC(=O)N1CCc2c(NC(=O)NNC(=O)c3cc4c(s3)CC[C@H](C(C)(C)C)C4)cccc21 1676682671 AACSZBIZFKXSHE-INIZCTEOSA-N 454.596 4.275 50 10 JIGE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1cc(OC)ccc1OC)C(C#N)=C(N)O2 1865692006 HFCRVEDRFCJYQP-NRFANRHFSA-N 450.926 4.383 50 10 JIGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Br)cc2)c1OC 1865701035 KFAZHZJAFQNMMC-LJQANCHMSA-N 467.323 4.179 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)cc2)[C@H]1c1ccccc1C(=O)O 1865704508 XPSSGNWVGAWKNP-HNNXBMFYSA-N 460.799 4.461 50 10 JIGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@@H](c2ccccc2OC)C(C#N)=C(N)O3)cc1 1865709809 HGQHQZOJZDPERQ-QFIPXVFZSA-N 451.486 4.170 50 10 JIGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1cc(OC)c(O)c(OC)c1)C(C#N)=C(N)O2 1865714507 LZDDIEJUWPXUGK-QHCPKHFHSA-N 474.561 4.442 50 10 JIGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)c2nc(C3CC3)n3ccccc23)cc1 1866860006 VDMRVLGCWAMNHD-JOCHJYFZSA-N 497.580 4.470 50 10 JIGE O=C(NC[C@@]1(CBr)C[C@H]1C(F)(F)F)c1sccc1I 1877498501 ZVJAACBRQIVFMH-XCBNKYQSSA-N 468.076 4.046 50 10 JIGE C[C@@H](Br)[C@H]1CCCN1S(=O)(=O)c1cc(Br)ccc1Br 1879176043 GUZWRFGUDYUWPC-LDYMZIIASA-N 476.028 4.148 50 10 JIGE CN(CCN(Cc1ccccc1)Cc1ccc(C(=O)NN)cc1Br)Cc1ccccc1 1946907974 XNDSSLXYWPXLKE-UHFFFAOYSA-N 481.438 4.187 50 10 JIGE Brc1cc(I)cnc1N1CC[C@@H](Br)C2(CC2)C1 2015768807 YBTFYMMPTYVKJZ-SNVBAGLBSA-N 471.962 4.203 50 10 JIGE C[C@H](Cl)C(=O)NC(=O)Nc1cc(Br)c(Br)c(Br)c1 2034339044 LXMFVVPMKNWBKM-BYPYZUCNSA-N 463.351 4.250 50 10 JIGE CCOc1ccncc1-n1nc(CBr)c(I)c1C(F)(F)F 2078931204 KAMCZIYYDLEKAE-UHFFFAOYSA-N 476.034 4.184 50 10 JIGE Cc1cccc(O)c1Cn1nc(CBr)c(I)c1C(F)(F)F 2079243396 UNXXRWUIKRLXCP-UHFFFAOYSA-N 475.046 4.464 50 10 JIGE O=C(c1cc(Br)c(Br)s1)N1[C@H](CBr)C[C@@H]2OCC[C@@H]21 2090529102 AXFDYQXYYAEQEZ-XVYDVKMFSA-N 474.012 4.040 50 10 JIGE CC1CC(CCl)(CNC(=O)c2ccc(Br)cc2I)C1 2142278887 JGJUBHRAOLYMCC-UHFFFAOYSA-N 456.549 4.439 50 10 JIGE C[C@@H]1CN(Cc2ccccc2)CCCN1S(=O)(=O)c1ccc(CCl)c(Br)c1 2144842384 VFWSXKUVYLXXNM-MRXNPFEDSA-N 471.848 4.473 50 10 JIGE C[C@H]1CCN(Cc2ccccc2)CCN1S(=O)(=O)c1ccc(CCl)cc1Br 2153290187 RGPBTPFNLXHWHO-INIZCTEOSA-N 471.848 4.473 50 10 JIGE O=C(c1ccccc1I)N1CC[C@@](CBr)(C(F)(F)F)C1 2167681620 VZGUJCYBLCDGNJ-LBPRGKRZSA-N 462.047 4.081 50 10 JIGE O=C(NC[C@H]1CCCC2(CCC2)[C@H]1Br)c1cc(I)sn1 2176539934 SNBHGACPTFKRRE-SKDRFNHKSA-N 469.186 4.211 50 10 JIGE BrC[C@@]12COC[C@H]1CN(Cc1cc(Br)ccc1Br)C2 2226166045 FAKUVKDHPHFKNH-BXUZGUMPSA-N 454.000 4.055 50 10 JIGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)NCc3ccccc3)c(Oc3ccc(F)cc3)nc12 2296542719 DCVKALYHTKZJBS-UHFFFAOYSA-N 454.461 4.158 50 10 JIGE COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1C=C(C#N)C(=O)NC1CCCCC1 2297318673 JYVFNDZVNFDNFQ-UHFFFAOYSA-N 458.518 4.160 50 10 JIGE COc1cc(C=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc(I)c1OC 2297334515 SOFGLYYZQIVJPC-CYBMUJFWSA-N 462.287 4.093 50 10 JIGE C[C@H]1[C@H](C)N(c2ncc(I)cc2Br)CC[C@H]1Br 2304181183 FYHUENDSSNDESO-OYNCUSHFSA-N 473.978 4.447 50 10 JIGE C[C@@H](NC(=O)C(C#N)=Cc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1)c1ccccc1 2314489849 TYSUXXCATDSNFJ-GOSISDBHSA-N 470.485 4.397 50 10 JIGE N#CC(=C(O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1nc(-c2ccc(F)c(F)c2)cs1 2331352320 HODUMZQETAVOPO-UHFFFAOYSA-N 468.397 4.085 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@H]2CC[C@H]1C[C@@H]2Cl 2337151876 UPMCSGXUTGDYAI-QRTLGDNMSA-N 454.533 4.286 50 10 JIGE Cc1cc(CBr)cnc1N(C)Cc1c(Br)c(Br)nn1C 2364376115 HRTPIGRRSVAYBP-UHFFFAOYSA-N 467.003 4.180 50 10 JIGE Clc1ccc(I)cc1CN1CCC2(CC1)C[C@H](Br)CO2 2380510151 ZIRZNIZWDMCWGW-LBPRGKRZSA-N 470.576 4.463 50 10 JIGE CC[C@H](Oc1ccccc1C)C(=O)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 13995291 OFLRGINMXOPXNE-KRWDZBQOSA-N 452.338 4.026 50 10 JIGE Cn1cc(C(=O)NNC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)c2ccccc21 15092835 CCNJWPHFUORZNK-UHFFFAOYSA-N 452.923 4.220 50 10 JIGE Cc1cccnc1Nc1ncnc(NNC(=O)C(c2ccccc2)c2ccccc2)c1[N+](=O)[O-] 40625933 HPMWQTWALRJISZ-UHFFFAOYSA-N 455.478 4.107 50 10 JIGE CCOc1ccc(N(C(=O)/C(C#N)=C/c2ccccc2OC)S(=O)(=O)c2ccccc2)cc1 40977764 LRIPHDJSBBPMQT-LVZFUZTISA-N 462.527 4.423 50 10 JIGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(-c3ccc(C(=O)OC)cc3C)o2)cc1 58894643 FKLMVVPMSGVKAB-MAAPNWIXSA-N 464.518 4.404 50 10 JIGE Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 59165237 PPJWABINABFVGX-WGOQTCKBSA-N 452.576 4.429 50 10 JIGE COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1cccc(C)c1 206398103 MMYWYZYYNWHJQK-HMAPJEAMSA-N 456.498 4.211 50 10 JIGE C[C@@H]1CCC[C@](CBr)(NC(=O)c2cc(I)ccc2O)C1 235337646 VPAJQNOBPKYJOZ-BMIGLBTASA-N 452.130 4.070 50 10 JIGE CC1(C)O[C@@H]2[C@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](n3ccc4c(Cl)nc(N)nc43)[C@@H]2O1 248178336 WXKYMEIKPSQDLH-ZOMKSWQUSA-N 455.031 4.106 50 10 JIGE CCc1cccc2c(C=NNC(=O)c3ccccc3NS(=O)(=O)c3cccs3)c[nH]c12 254487932 VQGFLRKHCKOEBY-UHFFFAOYSA-N 452.561 4.357 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2CC[C@H]([C@H](C)Br)C2)cc1Br 719785654 GKQITJFRVRINPD-UWVGGRQHSA-N 490.055 4.314 50 10 JIGE COc1ccc(Br)c(CNC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)c1 918623842 CCVWIGKOFBOOIS-LDADJPATSA-N 490.361 4.458 50 10 JIGE COc1ccccc1C(=O)NN=C1C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21 1084094473 ISEPEJBTJFGKGT-UHFFFAOYSA-N 482.309 4.278 50 10 JIGE CCN1CCN(C(=O)c2oc3c(c2C)C(=NNC(=O)C(c2ccccc2)c2ccccc2)CCC3)CC1 1772749225 RLFUZRBTJPJVEQ-UHFFFAOYSA-N 498.627 4.354 50 10 JIGE CCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3C)cc1OC 1865690992 GUPSONAPQAMNFX-KRWDZBQOSA-N 461.360 4.151 50 10 JIGE N#C/C(=C(/O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1873941158 YVVIBLNPHJSBLG-SDXDJHTJSA-N 491.441 4.105 50 10 JIGE Clc1cc(CBr)c(I)cc1I 2060263469 PNFYYSXBVBSOFC-UHFFFAOYSA-N 457.274 4.444 50 10 JIGE O=C(c1c(Br)cccc1Br)N1CC[C@H]2[C@H](C1)[C@@H]2CBr 2094100830 WJDVPLBVTJFAOE-BBBLOLIVSA-N 451.984 4.315 50 10 JIGE C[C@@]12CN(C(=O)c3cc(Br)cc(Br)c3)C[C@@]1(CBr)C2 2109182321 LFVTZXRZGLOBKJ-KGLIPLIRSA-N 451.984 4.459 50 10 JIGE C[C@H]1C[C@@H]1N(CCBr)S(=O)(=O)c1cc(Br)ccc1Br 2110789303 JTJQCVCFQPKBRL-KWQFWETISA-N 476.028 4.006 50 10 JIGE C[C@H]1CN(Cc2ccccc2)C[C@H](C)N(S(=O)(=O)c2ccsc2CBr)C1 2123287109 WKKBKYGVPLAINF-HOTGVXAUSA-N 457.459 4.174 50 10 JIGE Clc1cc(CN2CCO[C@@H]3C[C@@H](Br)C[C@H]32)ccc1I 2142943487 MMXLGXDRRFZPPB-ZLKJLUDKSA-N 456.549 4.071 50 10 JIGE C[C@@H]1C[C@@H](CBr)CCN1S(=O)(=O)c1cc(Br)ccc1Br 2172484427 CQPHQLXKPYUJDO-ZJUUUORDSA-N 490.055 4.396 50 10 JIGE CC[C@@H]1CN(S(=O)(=O)c2ccc(C)c(CBr)c2)CCN1Cc1ccccc1 2179784509 AAUUFEMOWSYZPB-HXUWFJFHSA-N 451.430 4.175 50 10 JIGE Cc1cc(S(=O)(=O)N2CC[C@H](COCc3ccccc3)C2)cc(CBr)c1F 2179861651 KMEYADQUWICSEX-KRWDZBQOSA-N 456.377 4.256 50 10 JIGE O=C(c1csc(I)c1)N1CC[C@H]2[C@H](CCC[C@H]2Br)C1 2225379012 FFGZLLNJHFJBLD-ADEWGFFLSA-N 454.171 4.378 50 10 JIGE CN(C(=O)c1c(F)cccc1I)[C@@H](CCBr)C(F)(F)F 2282786527 GVSQIKNNSCESDS-VIFPVBQESA-N 468.026 4.218 50 10 JIGE COc1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)S(=O)(=O)c2ccc(C)cc2)cc1 2296719438 RSFSHLTVDCPVOI-UHFFFAOYSA-N 473.510 4.142 50 10 JIGE BrCCO[C@H]1CCN(Cc2ccc(I)c(Br)c2)C1 2325221176 LPGMFPIYICJGJX-NSHDSACASA-N 488.989 4.040 50 10 JIGE O=C(N[C@H]1C[C@H](CBr)[C@@H]2C[C@H]12)c1ccc(I)c(Cl)c1 2329878543 SADAHLHMOOTJBN-QYTUQVAYSA-N 454.533 4.094 50 10 JIGE O=S(=O)(N[C@H](CCBr)COCc1ccccc1)c1cc(Cl)c(F)cc1F 2343457934 GKFLWQXGKIOPOY-CYBMUJFWSA-N 468.747 4.267 50 10 JIGE CC1(C)CCC[C@]1(CBr)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364213973 DGQINPNPVYCRIB-JOCHJYFZSA-N 499.471 4.106 50 10 JIGE C[C@H](Br)CN(C(=O)c1c(Br)c(Br)nn1C)C1CCCC1 2368842318 ICPVTJPYQXZONO-QMMMGPOBSA-N 472.019 4.113 50 10 JIGE O=C(N/N=C/c1c[nH]c2ccccc12)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 3194532 ZGLRZSFHUZEQJV-AFUMVMLFSA-N 497.374 4.495 50 10 JIGE Cc1ccc(O[C@@H](C)C(=O)NNC(=S)NC(=O)c2ccc(OCCc3ccccc3)cc2)cc1C 10154258 LVCFNWHGQNXVAK-FQEVSTJZSA-N 491.613 4.028 50 10 JIGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\Nc2ccc([N+](=O)[O-])cc2Br)C1=O 39893726 OMWPGMPNKBMUFI-FOWTUZBSSA-N 461.316 4.442 50 10 JIGE COc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4ccc5c(c4)OCO5)c(C)c32)c1 40822189 SUVIWHWRLHKKGW-OVVQPSECSA-N 461.474 4.048 50 10 JIGE COc1ccc(COC(=O)N/N=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(OC)c2)cc1 59152191 CSYWSSAXYALRPP-VULFUBBASA-N 464.474 4.241 50 10 JIGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NC[C@@H]2CCCO2)cc1 102859158 CQEDHRGZIHNTAU-CCOQBKANSA-N 454.530 4.306 50 10 JIGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\Nc1ccc(N)cc1Cl 217253897 HBELQPOMNKFNKL-LUAWRHEFSA-N 452.683 4.293 50 10 JIGE C[C@@H]1CCN(S(=O)(=O)c2cc(Br)ccc2Br)C[C@@H]1Br 230302192 NWQDZEHOZYNWEY-KCJUWKMLSA-N 476.028 4.006 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CCC(F)(F)[C@H](CCl)C1 721607505 BVDNYIFOKIIFIJ-SECBINFHSA-N 478.502 4.390 50 10 JIGE O=C(NC[C@H]1CC[C@@H](Br)C1)c1ccc(I)c(Br)c1 721615546 RRQNLWOLVNDEKO-WCBMZHEXSA-N 486.973 4.347 50 10 JIGE O=C(NC[C@H](c1cccs1)N(C(=O)CCl)c1ccc(Oc2ccccc2)cc1)N1CCNCC1 725238315 GUEDUVWNITVJQM-JOCHJYFZSA-N 499.036 4.468 50 10 JIGE COc1ccc(Cl)cc1C(=O)Nc1ccccc1C(=O)NN=C(C)c1ccc(O)cc1O 1084623869 FHDFNZOCSXRPDR-UHFFFAOYSA-N 453.882 4.166 50 10 JIGE COC(=O)c1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc([N+](=O)[O-])cc2)CCC3)cc1 1772744636 GHKDKULYYSJKPM-UHFFFAOYSA-N 490.472 4.006 50 10 JIGE CCCOc1ccc(C(=O)NNC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)cc1[N+](=O)[O-] 1860396464 PNYVNWOJWQZXKZ-XNTDXEJSSA-N 475.501 4.437 50 10 JIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccn2)cc(OC)c1OC 1865692434 MCYYFXMZDVIZGW-JOCHJYFZSA-N 481.512 4.178 50 10 JIGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCc3nc4ccccc4[nH]c3=O)n2)cc1OC 1872745584 UPCCFCQUGQQNFE-HKWRFOASSA-N 460.515 4.489 50 10 JIGE O=C(NNc1ccccn1)[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(C3CCCCCCCCCCC3)C2)C1 1872961613 MJVHRWRWXRIMSY-DHIUTWEWSA-N 497.684 4.285 50 10 JIGE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H](Br)C2CCCC2)CCN1C(=O)OC(C)(C)C 1979584373 GOJSMNZRDQJJQJ-INIZCTEOSA-N 490.439 4.172 50 10 JIGE O=C(NC1(CCBr)CC1)c1ccc(I)c(Br)c1 2017552123 LLWFLCLSRWKGMX-UHFFFAOYSA-N 472.946 4.101 50 10 JIGE CN(C)CCCN(Cc1ccccc1)S(=O)(=O)c1cc(CCl)ccc1Br 2095866377 JSSQIIFTEHJKQH-UHFFFAOYSA-N 459.837 4.331 50 10 JIGE CN([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(Cl)c(CBr)c1 2123211831 ZAYWZWJCGBOOAA-KRWDZBQOSA-N 457.821 4.130 50 10 JIGE Cc1sc(CBr)cc1S(=O)(=O)N1C[C@@H](C)N(Cc2ccccc2)C[C@H]1C 2123232132 MKPNHPBLLBPHHA-HUUCEWRRSA-N 457.459 4.235 50 10 JIGE O=S(=O)(c1ccc(CCl)c(Br)c1)N1CCCN(Cc2ccccc2)CCC1 2152575227 MKQVBMVZHJYIIY-UHFFFAOYSA-N 471.848 4.475 50 10 JIGE CC(F)(F)C[C@H](CBr)NS(=O)(=O)c1ccc(Cl)c(Br)c1 2169538054 PCPWVRYXJCWHCG-SSDOTTSWSA-N 455.546 4.190 50 10 JIGE Cc1cc(CBr)cc(S(=O)(=O)N2CCCN(Cc3ccccc3)CC2)c1C 2179862328 UUGGORIYGVAQAH-UHFFFAOYSA-N 451.430 4.095 50 10 JIGE C[C@H](Br)[C@@H](NS(=O)(=O)c1c(Cl)cccc1Br)C(F)(F)F 2195317911 JMFXIMVPKULAMD-SSDLBLMSSA-N 459.509 4.095 50 10 JIGE CN(C[C@@H](Cl)COCc1ccccc1)S(=O)(=O)Cc1ccsc1Br 2213761345 UZHPEKHISUVYJM-OAHLLOKOSA-N 452.823 4.096 50 10 JIGE CCCN1CC[C@H]([C@H](Br)c2scc(Br)c2Cl)S1(=O)=O 2264610160 SBXRFBZPQMUWFG-BDAKNGLRSA-N 451.633 4.414 50 10 JIGE CC1(C)OCCN(C(=O)c2cc(Br)sc2Br)[C@@H]1CBr 2267738885 IUNHCPKVPDLAOD-MRVPVSSYSA-N 476.028 4.288 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1CCC2(CC(Br)C2)C1 2268353932 VNNUKSDMKFQBEO-UHFFFAOYSA-N 454.533 4.334 50 10 JIGE CN(C[C@@H](Br)C1CC1)C(=O)Cc1cc(Br)cc(Br)c1 2277914976 JJOFXDDCXFZWAR-CYBMUJFWSA-N 454.000 4.386 50 10 JIGE O=C(c1scc(Br)c1Br)N1CC[C@@H]2[C@H](C1)[C@@H]2CBr 2311902843 ZKOIEOBSQFNGMG-RNJXMRFFSA-N 458.013 4.376 50 10 JIGE CN(C(=O)OC(C)(C)C)C1CCC2(CCCN2CCOCCI)CC1 2326653258 GDMIIWFGSFNVBZ-UHFFFAOYSA-N 466.404 4.082 50 10 JIGE CC(C)c1ccc(OCC(=O)NNC(=O)COc2ccc(Br)cc2C(C)C)cc1 9231568 ABBWSJDITNBRMX-UHFFFAOYSA-N 463.372 4.301 50 10 JIGE COc1ccc(Cl)c2sc(NNC(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)nc12 9447530 UCDZKFHVCUPCPU-UHFFFAOYSA-N 495.026 4.280 50 10 JIGE O=C(/C=C/c1cccc2ccccc12)NC(=S)NNC(=O)COc1ccc(Cl)cc1Cl 12503475 GNLGLVGZLVYMIG-DHZHZOJOSA-N 474.369 4.261 50 10 JIGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=O)COc1ccc(Cl)cc1Br 13980488 GMXZYIYUUVLHHY-ZDUSSCGKSA-N 469.763 4.221 50 10 JIGE Cn1cc(C(=O)NNC(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)c2ccccc21 16235602 JBVFWEUNHWZSIO-UHFFFAOYSA-N 454.408 4.459 50 10 JIGE Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)NNC(=O)[C@H](C)Oc1ccc2ccccc2c1 18050880 XTANIOCYRQLVGO-HNNXBMFYSA-N 466.900 4.355 50 10 JIGE C[C@H](SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(=O)NNC(=O)c1ccc(Cl)cc1 27638652 RHGDGZQNSAACFH-ZDUSSCGKSA-N 499.017 4.388 50 10 JIGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1OS(=O)(=O)c1ccc(C)cc1 33930303 ZUJLVYNOMBJKJK-AQTBWJFISA-N 493.497 4.225 50 10 JIGE COC(=O)c1cc(Br)cc(Br)c1NC(=O)[C@@H](Br)C(C)C 37790450 ZZYLSHPJNCGTMD-JTQLQIEISA-N 471.971 4.356 50 10 JIGE Cc1ccc2c(Nc3ncnc(NNC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)c3[N+](=O)[O-])cccc2n1 40658702 ZSXYJAJVAVSBBG-UHFFFAOYSA-N 494.855 4.304 50 10 JIGE CC1CCC(NC(=O)[C@H](c2ccc(F)cc2)N(C[C@H]2COc3ccccc3O2)C(=O)CCl)CC1 97914708 OCZGVPDDCRDGLW-WAZWMLNYSA-N 488.987 4.469 50 10 JIGE COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)c2nc(-c3ccc(F)cc3)no2)c1C 109551496 YVSKVZGDXZOWKX-ZMMDKTBSSA-N 451.502 4.286 50 10 JIGE CC(C)(C)OC(=O)N1C[C@H](I)[C@@H](OCc2ccccc2Br)C1 231319656 WMRAIUMJUYRSRJ-KBPBESRZSA-N 482.156 4.389 50 10 JIGE O=C(NN=Cc1ccc([N+](=O)[O-])cc1)c1cc(-c2ccc(OCCc3ccccc3)cc2)n[nH]1 254701695 WDSYAQCPMCZONT-UHFFFAOYSA-N 455.474 4.370 50 10 JIGE COc1ccccc1[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1CI 382709887 XBJBFABHDHMKAI-AEFFLSMTSA-N 451.304 4.482 50 10 JIGE C[C@@H]1C[C@H](Br)CN1C(=O)c1cc(I)ccc1Br 384926512 FYSLPOGDXBBHQV-SFYZADRCSA-N 472.946 4.052 50 10 JIGE C[C@@H]1CC[C@H](CBr)CN1S(=O)(=O)c1cc(Br)ccc1Br 688693319 OJZJJXZSLBUNEH-NXEZZACHSA-N 490.055 4.396 50 10 JIGE CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(S(=O)(=O)C[C@H]3CCCO3)cc2)c1C 731338230 RFGFWXUOEZSWOK-FBHQFGEZSA-N 455.580 4.013 50 10 JIGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCC(=O)O 1084136776 YHOJQJUTOTZPMM-UHFFFAOYSA-N 495.713 4.475 50 10 JIGE Cn1c(SCC(=O)NN=Cc2cc(Br)c(O)c(Br)c2)nc2ccccc21 1084263180 FGEGLNMSJGZHCC-UHFFFAOYSA-N 498.200 4.046 50 10 JIGE Cc1c(C(=O)NNC(=O)c2ccccc2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772747370 GYUXPGYAFLTSSU-UHFFFAOYSA-N 499.354 4.440 50 10 JIGE Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(O)c([N+](=O)[O-])c2)cc1 1865714830 RCWINMJQLNNPDQ-KRWDZBQOSA-N 471.395 4.091 50 10 JIGE CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1cccc(OCc2ccccc2)c1 1873793801 YDRYCGCKZNQOTE-HUXSYLCKSA-N 457.596 4.362 50 10 JIGE O=S(=O)(c1cc(CCl)sc1Br)N(Cc1ccccc1)[C@H]1CCOC1 1915455985 YVIJOTJLZMEUEK-ZDUSSCGKSA-N 450.807 4.229 50 10 JIGE Cc1cc(S(=O)(=O)N(C)C[C@@H](Br)COCc2ccccc2)sc1Br 1916363364 YYRRPBCMWQYLEZ-CQSZACIVSA-N 497.274 4.420 50 10 JIGE Cc1c(Br)sc([C@H](Br)C2(C)CS(=O)(=O)C2)c1Br 1922935033 MACKKLVHGMFNBH-QMMMGPOBSA-N 467.042 4.452 50 10 JIGE C[C@H]1CC[C@H](CBr)CN1c1ncc(I)cc1Br 2015762528 MEACFQIUBKCCGH-DTWKUNHWSA-N 473.978 4.449 50 10 JIGE C[C@@H](Br)CCc1cn(-c2cc(Br)ccc2I)nn1 2068991802 RLCSPFJYXQLMAL-MRVPVSSYSA-N 484.961 4.350 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1C[C@H]2C[C@H]1CC[C@@H]2Br 2088647893 YFMGIFXSOZGPFL-MXWKQRLJSA-N 454.533 4.333 50 10 JIGE CSCC[C@H](C)N(C)S(=O)(=O)c1cc(CBr)sc1Br 2123201180 SUYGHONOESGESK-QMMMGPOBSA-N 451.271 4.168 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CC[C@H](Cl)[C@H]2CC[C@@H]21 2133723258 OCLBFTILOTZEPF-ICCXJUOJSA-N 454.533 4.286 50 10 JIGE C[C@H]1CCN(S(=O)(=O)c2ccc(Br)c(CCl)c2)CCN1Cc1ccccc1 2144829981 PJXNNSZAPGAYLO-INIZCTEOSA-N 471.848 4.473 50 10 JIGE CC(C)(CBr)[C@@H]1CCCN1C(=O)Cc1ccccc1I 2155832850 UQXLDQKPMSDKOK-AWEZNQCLSA-N 450.158 4.246 50 10 JIGE CC(C)(C)OC(=O)N1CCCC[C@]1(C)CNS(=O)(=O)c1ccc(CBr)cc1 2162591200 IRZYMZPFYDELCP-LJQANCHMSA-N 461.422 4.040 50 10 JIGE O=C(c1scc(Br)c1Br)N1CCC2(CC1)C[C@@H](Br)CO2 2173173105 NCFROKCAOXBYKI-MRVPVSSYSA-N 488.039 4.432 50 10 JIGE O=C(c1cc(I)sn1)N1CCC[C@@]2(CBr)CCCC[C@@H]12 2176540573 VWAARLVKNVPHFX-BXUZGUMPSA-N 469.186 4.308 50 10 JIGE CC1(C)C[C@@H](N(Cc2ccccc2)S(=O)(=O)c2ccc(CCBr)cc2)CO1 2179778546 DTRZSUGBAAUOMC-LJQANCHMSA-N 452.414 4.382 50 10 JIGE O=S(=O)(c1cc(F)ccc1CBr)N1CC2(CC(OCc3ccccc3)C2)C1 2179795524 SNIZDDOMLBNNMY-UHFFFAOYSA-N 454.361 4.091 50 10 JIGE CC(C)(C)OC(=O)N1C[C@H](I)[C@H](OC2CCN(Cc3ccccc3)CC2)C1 2242040744 YFAWRUYPAIEFOM-RBUKOAKNSA-N 486.394 4.091 50 10 JIGE COCCN(C[C@@H](C)Br)C(=O)c1ccc(Br)cc1Br 2272439634 RUYMVLRZLQEZHE-SECBINFHSA-N 457.988 4.084 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1[C@H]2CC[C@H]1[C@H](F)[C@@H](Br)C2 2283670272 SEUIHMOJUUYEIV-WTTBSCSTSA-N 472.523 4.423 50 10 JIGE O=C(c1cc(Br)c(Br)s1)N1CC[C@@H]2[C@H](C1)[C@@H]2CBr 2311905432 AJYFVVMLGGBTGV-RNJXMRFFSA-N 458.013 4.376 50 10 JIGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccc(C(=O)O)cc1 2313568312 UJIZTBLRAYUEIU-UHFFFAOYSA-N 497.551 4.228 50 10 JIGE C=CCc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCC(=O)O 2313568570 UURFFAVGJVBKCO-UHFFFAOYSA-N 455.308 4.495 50 10 JIGE N#CC(=CNCCc1ccccc1Br)C(=O)N1CCC(Cc2ccccc2)CC1 2324765546 URWUCSZHBARMRM-UHFFFAOYSA-N 452.396 4.470 50 10 JIGE ClCCO[C@@H]1CCCN(Cc2ccc(I)c(Br)c2)C1 2349824629 NSEYKVYGPHXZTF-GFCCVEGCSA-N 458.565 4.274 50 10 JIGE COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(C)n(CCc3ccccc3)c(=O)c21 2218687 RYSALFBVHWXAQI-QFIPXVFZSA-N 492.373 4.389 50 10 JIGE O=C(CS(=O)(=O)c1ccc(Cl)cc1)NNc1nc2c(Cl)c(Cl)ccc2s1 10046005 UJKRRBBXGYILSD-UHFFFAOYSA-N 450.756 4.174 50 10 JIGE CC(C)COc1ccc(C(=O)NC(=S)NNC(=O)C(c2ccccc2)c2ccccc2)cc1 14030575 CHBVUZFPVAUKNG-UHFFFAOYSA-N 461.587 4.189 50 10 JIGE Cc1cc2c(c(=O)o1)[C@]1(C(=O)N(Cc3ccc(Cl)c(Cl)c3)c3ccccc31)C(C#N)=C(N)O2 16754134 VRLBQNFWUTVYSO-XMMPIXPASA-N 480.307 4.174 50 10 JIGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)N/N=C/c1cccc(O)c1 20806212 LKAFGNIBPJVQQZ-VSRRSJTHSA-N 470.986 4.066 50 10 JIGE COc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C(\C#N)C(=O)Nc1ccccc1C 39993087 BBVUUFFUKGQNIT-OBGWFSINSA-N 452.470 4.350 50 10 JIGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(I)c1OCC 58891576 ACSCHYSTAHHAKJ-PVFDWLMNSA-N 496.345 4.053 50 10 JIGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(Br)c1O 58895205 XEKDEAXVWQSNQG-CFKHXJFWSA-N 461.356 4.246 50 10 JIGE CCCCN(CCCC)CN1C(=O)/C(=N/NC(=O)CO/N=C(/C)c2ccccc2)c2ccccc21 102941468 HTEKGYJWOQSYSQ-WOAWZEJJSA-N 477.609 4.154 50 10 JIGE O=C(NC1(CBr)CCC1)c1cc(I)ccc1Br 232476022 FJMQWJVKLHSJCQ-UHFFFAOYSA-N 472.946 4.101 50 10 JIGE O=C(NCCCCI)c1cc(Br)cc(Br)c1 232479527 SNVKPSGVDPUYQB-UHFFFAOYSA-N 460.935 4.157 50 10 JIGE C=CCn1c(CNc2ccccc2)nnc1S[C@H](C)C(=O)NN=Cc1cccc(Br)c1 252620101 LXKPSNMSUYKWHI-MRXNPFEDSA-N 499.438 4.470 50 10 JIGE CCn1c(SCC(=O)NN=Cc2c(O)ccc3ccccc23)nnc1-c1ccc(OC)cc1 254833881 OOWOCDLXAIMTLP-UHFFFAOYSA-N 461.547 4.075 50 10 JIGE COc1cccc(NC(=O)C(=O)NN=Cc2c(OC(=O)c3ccccc3)ccc3ccccc23)c1 254850372 XZRQAYMXCAKZEL-UHFFFAOYSA-N 467.481 4.156 50 10 JIGE BrCC1(Cn2cnc(I)c2I)CCCC1 306182030 WEMGBSPXPZEJFU-UHFFFAOYSA-N 494.940 4.048 50 10 JIGE CC(C)(C)[C@@H](CBr)Cn1cnc(I)c1I 389373984 NKALRJJFRPMXST-ZETCQYMHSA-N 496.956 4.150 50 10 JIGE CO[C@]1(CBr)CCCN(C(=O)c2cc(Br)ccc2Br)C1 401902187 MVWAPHLIISPRCQ-AWEZNQCLSA-N 469.999 4.228 50 10 JIGE O=C(CCl)c1cc(I)cc(I)c1Br 575686802 PKPMIRUGRPIXQC-UHFFFAOYSA-N 485.284 4.080 50 10 JIGE O=C(N[C@H]1CCC[C@@H]1Br)c1ccc(I)c(Br)c1 721574223 WSOLLYOLCVTRCV-KWQFWETISA-N 472.946 4.100 50 10 JIGE O=C(N[C@H]1CCC[C@@H](Br)C1)c1ccc(I)c(Br)c1 721622715 SKHIUPDPUMFKBS-ZJUUUORDSA-N 486.973 4.490 50 10 JIGE Cc1cc(C(=O)/C(C#N)=C/c2cnn3ccccc23)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O 729641746 VPZIVFNRKQGYTN-RCCKNPSSSA-N 476.540 4.330 50 10 JIGE CCN(CC)Cc1ccc(C(=O)NNC(=O)[C@@H](Oc2ccc(F)c(Cl)c2)c2ccccc2)o1 730532594 GQZPFTBOPKPYJJ-QFIPXVFZSA-N 473.932 4.495 50 10 JIGE Cc1ccc(N(Cc2ccc(C(=O)NN=Cc3sccc3C)cc2)S(C)(=O)=O)cc1C 1084501311 BKTCZWCFRCOHKM-UHFFFAOYSA-N 455.605 4.403 50 10 JIGE C#CCOc1cccc(NC(=O)NNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)c1 1200403322 YDLUFFUALTVTSB-UHFFFAOYSA-N 451.486 4.018 50 10 JIGE Cc1nc(-c2ccc(Cl)cc2)ccc1C(=O)NNC(=O)c1ccc(I)cc1 1865755874 VCXLCEUBFMDFHE-UHFFFAOYSA-N 491.716 4.390 50 10 JIGE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1c(O)ccc2cc(Br)ccc12 1873795552 PWYVTEWPHZKVLV-RIDKEVFESA-N 464.360 4.307 50 10 JIGE C=C(CBr)CCNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 1887846950 SZIITSDXGGSLTP-UHFFFAOYSA-N 451.995 4.375 50 10 JIGE C[C@H](Br)CCCN(C)c1ncc(I)cc1Br 1899922231 GEYCWQQKFDZGPS-QMMMGPOBSA-N 461.967 4.449 50 10 JIGE Brc1cc(CNCC2CC(Br)C2)ccc1I 1904345421 GEDAKQURDFSAFN-UHFFFAOYSA-N 458.963 4.317 50 10 JIGE CN(C[C@@H](Br)COCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1F 1916363488 AOUQVGOYZNCFBK-OAHLLOKOSA-N 495.208 4.189 50 10 JIGE COC[C@](C)(CBr)CNC(=O)c1cc(Br)sc1Br 1926990584 UCDOHFJTGGACAK-LLVKDONJSA-N 464.017 4.051 50 10 JIGE Cc1nc(I)c(I)n1CCCCCCCl 1928099055 SELREEOSIORITN-UHFFFAOYSA-N 452.505 4.200 50 10 JIGE CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)C[C@@H](CBr)CC2CC2)C1 1961124295 ALTZQYFMIFVIRF-HXUWFJFHSA-N 467.448 4.282 50 10 JIGE C[C@H]1C[C@@H](CBr)CCN1c1ncc(I)cc1Br 2015758555 JOTHXBIZXVXJAQ-IUCAKERBSA-N 473.978 4.449 50 10 JIGE BrC[C@H]1CCN(c2ncc(I)cc2Br)C12CC2 2016067121 XXBHNMYZDOYOTF-MRVPVSSYSA-N 471.962 4.203 50 10 JIGE CN(CC1CC(Br)C1)C(=O)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2020199374 DJKGIVJOEPWUTB-ZSHKSDETSA-N 495.458 4.462 50 10 JIGE C[C@](CBr)(NC(=O)c1ccc(Br)cc1I)C(F)F 2086149173 KLCFRLRFJRKIIX-LLVKDONJSA-N 496.915 4.202 50 10 JIGE CCN1CCC[C@@H]([C@H](Cl)c2scc(Br)c2Br)S1(=O)=O 2089528765 VRLFFQJJEWQBEF-WPRPVWTQSA-N 451.633 4.367 50 10 JIGE CN(Cc1ccccc1)[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)c(CBr)c2)C1 2123200063 BUBCOUNIHWLSHV-QGZVFWFLSA-N 457.821 4.130 50 10 JIGE C[C@H]1C[C@H](Br)[C@H](C)CN1S(=O)(=O)c1cc(Br)ccc1Br 2149518064 FMIBTAGPSZQCTP-PTRXPTGYSA-N 490.055 4.394 50 10 JIGE C[C@H](CBr)[C@@H]1CCCCN1C(=O)c1cc(I)ccc1F 2169668305 OMKWDZRIJWLSMA-YGRLFVJLSA-N 454.121 4.456 50 10 JIGE CC1(C)CN(Cc2ccccc2)CCN1S(=O)(=O)c1cc(CBr)ccc1F 2179792504 HESWQYBVOFXHAK-UHFFFAOYSA-N 455.393 4.006 50 10 JIGE O=S(=O)([C@@H]1CC[C@H](CBr)C1)N1[C@H]2CCC[C@H]1CN(Cc1ccccc1)CC2 2179827093 AKSRNIBSLDGSRK-XSDIEEQYSA-N 455.462 4.009 50 10 JIGE CCCn1cc(S(=O)(=O)N(Cc2ccccc2)C[C@H]2CCCO2)cc1CBr 2179858407 OGMLQVNLKNVSED-LJQANCHMSA-N 455.418 4.163 50 10 JIGE CC(F)(F)C[C@@H](CBr)NC(=O)c1ccc(Cl)c(I)c1 2268343250 WHUVSVFVLVHYAO-QMMMGPOBSA-N 466.491 4.483 50 10 JIGE CN1CC[C@@](C)(CO[C@](C)(CI)c2ccccc2Br)C1 2296402779 AXNXDDCCBPALCX-HZPDHXFCSA-N 452.174 4.458 50 10 JIGE CC(C)(CI)CN1CCN(C(=O)OC(C)(C)C)[C@H](CC(F)(F)F)C1 2306814221 AOUULAZYAUQPPD-GFCCVEGCSA-N 464.310 4.321 50 10 JIGE Cc1cc(OCC(=O)NNC(=S)NC(=O)C=Cc2cccc3ccccc23)cc(C)c1Cl 2313620178 TZYSXTTWSQPVNR-UHFFFAOYSA-N 467.978 4.224 50 10 JIGE N#CC(=Cc1ccc(OC(=O)c2cccc(Br)c2)cc1)C(=O)NCc1ccco1 2314753207 LJOQPQRMAQJXRM-UHFFFAOYSA-N 451.276 4.485 50 10 JIGE CC(C)(C)OC(=O)N1CCC(CI)(OCC2C[C@H]3[C@H](C2)C3(F)F)CC1 2320757587 WSJYJZOMYDBZBV-KBPBESRZSA-N 471.326 4.499 50 10 JIGE N#CC(=CN1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)NCCc1ccccc1 2324677120 RHXKSEPZEPEXCL-UHFFFAOYSA-N 450.586 4.160 50 10 JIGE C[C@@H]1CO[C@@H](CBr)CN1Cc1ccc(I)c(Br)c1 2325223653 QEACLKRJYUSKSO-KOLCDFICSA-N 488.989 4.038 50 10 JIGE O=C(c1cccc(Br)c1Br)N1CC[C@@H]2[C@H](C1)[C@@H]2CBr 2333115469 DTHSCHURPMVALE-GDPRMGEGSA-N 451.984 4.315 50 10 JIGE ClCCCO[C@@H]1CCN(Cc2ccc(I)c(Br)c2)C1 2349853226 FQWZYZJIDZSRFY-GFCCVEGCSA-N 458.565 4.274 50 10 JIGE Cc1nc(-n2nc(-c3cccs3)cc2NC(=O)CCCl)[nH]c(=O)c1Cc1ccccc1 11855399 KMXNVUQCUAZERV-UHFFFAOYSA-N 453.955 4.151 50 10 JIGE N#CC1=C(N)Oc2cc(OC(=O)[C@@H]3COc4ccccc4O3)ccc2[C@H]1c1ccc(Cl)cc1 38687759 DMFFKFLLMKLXBD-XZOQPEGZSA-N 460.873 4.304 50 10 JIGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)c1 40527359 OECLWNCUESGKPI-OYLFLEFRSA-N 460.461 4.425 50 10 JIGE O=C(N/N=C1/C(=O)N(CCOc2ccccc2)c2ccccc21)c1ccc(Br)cc1 59153696 GFQLFUDBYHNUDT-NJNXFGOHSA-N 464.319 4.009 50 10 JIGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)NCc3ccccc3)c(Oc3ccc(F)cc3)nc12 102683423 DCVKALYHTKZJBS-RGEXLXHISA-N 454.461 4.158 50 10 JIGE COc1cc(C(C)=NNC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2C)ccc1O 254735007 RGNHCBOLVKMAPU-UHFFFAOYSA-N 488.569 4.041 50 10 JIGE COc1cc(-c2nc3ccc(C(=O)NN)cc3[nH]2)cc(Br)c1OCc1ccc(C)cc1 256048096 QSIADLCZVKAPEM-UHFFFAOYSA-N 481.350 4.492 50 10 JIGE BrCC(CBr)(CO[C@H]1CCOC1)c1ccc(Br)cc1 311579710 CJZYHVDUNWXPTC-ZDUSSCGKSA-N 457.000 4.282 50 10 JIGE Cc1nn2cc(CCCOC(=O)/C(C#N)=C\c3cn(CCC#N)nc3-c3ccccc3)cnc2c1C 729198048 CSTOENARMUDOFF-UCQKPKSFSA-N 479.544 4.206 50 10 JIGE CN(CCNC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1)c1ccccc1 818079392 FWPXMPGGTBWVNQ-SILNSSARSA-N 458.953 4.277 50 10 JIGE O=C(COc1ccc(C2CCCCC2)cc1)NN=C1C(=O)N(CCN2CCCCC2)c2ccccc21 1083931666 MHCMSJHIZFIIRN-UHFFFAOYSA-N 488.632 4.466 50 10 JIGE O=C(NN=Cc1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccc(CSc2ccccc2)cc1 1084642030 YAYWXTVWLUDAOH-UHFFFAOYSA-N 476.558 4.488 50 10 JIGE C#CCCOc1ccc(C(=O)NNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cc1 1540545054 XZCDJSQZMRNQLL-UHFFFAOYSA-N 450.498 4.016 50 10 JIGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@H](c2ccncc2)C(C#N)=C(N)O3)cc1 1865702326 SQOUJEDFMOADHX-JOCHJYFZSA-N 453.477 4.359 50 10 JIGE COc1ccc(-c2csc(CCC(=O)N[C@@H](C)C(=O)Nc3ccc(SC#N)cc3)n2)cc1 1867066378 LZIYRNJCHJZCFS-HNNXBMFYSA-N 466.588 4.468 50 10 JIGE CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1 1873795355 ZKSRZHYVWBFNDP-HUXSYLCKSA-N 457.596 4.362 50 10 JIGE C[C@@]1(CBr)CCCN1c1ncc(I)cc1Br 1988534000 DMMFZFQOUDPXES-NSHDSACASA-N 459.951 4.203 50 10 JIGE CN1CCC[C@@H]([C@@H](Br)c2cc(Br)c(Br)s2)S1(=O)=O 2029051696 GGYRSWJJGFRMEI-IUCAKERBSA-N 482.057 4.133 50 10 JIGE O=C(Cl)c1cc(I)cc(C(F)(F)F)c1I 2060047167 DZAKYFYFDLDBCA-UHFFFAOYSA-N 460.358 4.294 50 10 JIGE CCN(CC)S(=O)(=O)C[C@@H](Br)c1cc(Cl)ccc1I 2089399383 BMMGAQUUNUWPKV-LLVKDONJSA-N 480.593 4.052 50 10 JIGE Clc1ccc(I)c(CN2[C@H](CBr)C[C@@H]3OCC[C@H]32)c1 2090533523 FWKUZTYWDAYYEQ-YUTCNCBUSA-N 456.549 4.071 50 10 JIGE Brc1cccc(Br)c1CC[C@@H](Br)CN1CCOCC1 2099488215 PHCHVVVQTYOFHY-LLVKDONJSA-N 456.016 4.240 50 10 JIGE C[C@@H](CBr)N1CCN(Cc2cccc(Br)c2Br)CC1 2113064942 WNVVEUZZBMCLTK-NSHDSACASA-N 455.032 4.113 50 10 JIGE C#CC[C@](C)(CBr)CNC(=O)c1ccc(I)c(Br)c1 2140716276 XNZLAUKSXNSTHY-CQSZACIVSA-N 498.984 4.208 50 10 JIGE CCN1CCC[C@H]([C@@H](Br)c2cc(Br)cc(Br)c2)S1(=O)=O 2145759431 LTLYLSUZAIDKGX-OLZOCXBDSA-N 490.055 4.462 50 10 JIGE C[C@H]1CN(C(=O)c2cc(Br)cc(Br)c2)C[C@H](CCBr)O1 2179373262 DRMRGAUTKVXWGV-ZANVPECISA-N 469.999 4.226 50 10 JIGE Cc1sc(CBr)cc1S(=O)(=O)N1CCN(Cc2ccccc2)[C@@H](C(C)C)C1 2179819159 IZQZTRKAOOZTJV-LJQANCHMSA-N 471.486 4.483 50 10 JIGE C[C@@H](NC(=O)c1cc(I)ccc1Br)c1nnc(CCl)s1 2192615397 KIYXBNCUFADEKO-ZCFIWIBFSA-N 486.560 4.135 50 10 JIGE C[C@@H]1[C@H](O[C@@H](CI)c2ccccc2Br)C2CCN1CC2 2198004965 ARHAPNNHMWLVRL-RLCCDNCMSA-N 450.158 4.425 50 10 JIGE CN(CC1CC(Br)C1)C(=O)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2243695177 SMSDSANJEUFJTI-UHFFFAOYSA-N 481.431 4.072 50 10 JIGE O=C(N[C@@H]1C[C@H](CBr)[C@H]2C[C@H]21)c1ccc(Cl)c(I)c1 2268358362 YZBKZYNHWZUHLR-VWMGYNLJSA-N 454.533 4.094 50 10 JIGE C[C@H]1C[C@H]1N(CCBr)C(=O)Cc1cc(Br)cc(Br)c1 2277924888 JFZLPDNCDSFUTO-TVQRCGJNSA-N 454.000 4.386 50 10 JIGE CCOc1cc(C=C2C(=O)N(CCCOC)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 2314618800 UPTRUPKSBPCKSS-UHFFFAOYSA-N 478.520 4.432 50 10 JIGE C[C@@H](Br)CCCN(C)S(=O)(=O)c1cc(Br)ccc1Br 2336088076 CDVJXLXMSFTHTK-SECBINFHSA-N 478.044 4.396 50 10 JIGE CC(C)(C)OC(=O)N[C@]12CCC(F)(F)C[C@@H]1CN(C[C@H](Br)C(F)(F)F)C2 2344057096 MHJKYWSHZAXGQP-SUNKGSAMSA-N 451.274 4.327 50 10 JIGE Clc1ccc(CN2C[C@@H]3CC[C@H](CBr)O[C@H]3C2)cc1I 2362378222 GUFFHMNMYNZBCH-ZOWXZIJZSA-N 470.576 4.319 50 10 JIGE COC[C@@]1(CBr)C=CCN1C(=O)c1c(Br)cccc1Br 2379845599 KSMVCAOJIHIKKJ-AWEZNQCLSA-N 467.983 4.004 50 10 JIGE N#CSc1cc(Br)c(NC(=O)CI)cc1Br 3634572 NFUGUEAPHPQLIB-UHFFFAOYSA-N 475.931 4.158 50 10 JIGE Cc1cc(OCC(=O)NNC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)ccc1Br 14038701 KEYHCOSRRQLIJO-KRWDZBQOSA-N 483.362 4.418 50 10 JIGE CC1=C(C#N)C(=O)N(C[C@H](C)O)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c(C(=O)OCC(C)C)c2)o1 20036570 IYKCCTPORPMFMZ-HNIBHBHRSA-N 496.947 4.386 50 10 JIGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2c(C)ccc(C)c2C)c(OC)c1 40988947 DJZACQMCYMOVPZ-FYJGNVAPSA-N 450.535 4.428 50 10 JIGE O=C(COc1ccc([N+](=O)[O-])cc1)N/N=C1\C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21 59166322 MOAYYTAASNMIHN-QYQHSDTDSA-N 499.310 4.348 50 10 JIGE C[C@@H]1CN(C(=O)c2cc(Br)ccc2I)C[C@@]1(C)CCl 694699226 GFMRUOVWUDEVCR-YMTOWFKASA-N 456.549 4.391 50 10 JIGE COc1cc(OC)c(C=NNC(=O)COc2ccc(C)cc2Br)cc1Br 1083877768 VDGMPEIVYLLIIA-UHFFFAOYSA-N 486.160 4.066 50 10 JIGE O=C(CNc1cccc(N2CCCC2=O)c1)NN=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 1084399830 JWVRGRGEHMOALR-DKGVELFCSA-N 483.528 4.367 50 10 JIGE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)NN(C)C2CC2)ccc1Cl 1639569185 MMUFJKSAFSCCHE-UHFFFAOYSA-N 454.379 4.114 50 10 JIGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(C(=O)O)cc1)C(C#N)=C(N)O2 1865708764 FRDUCJYEQHOZHL-GOSISDBHSA-N 465.307 4.114 50 10 JIGE Cc1nn(-c2cccc3ccccc23)c2c1[C@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865711773 HRTWPPACULRRFT-XMMPIXPASA-N 481.468 4.232 50 10 JIGE N#CSc1ccc(NC(=O)[C@H](NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)c2ccccc2)cc1 1866870743 PYCFZSKGIUZSPN-NTKDMRAZSA-N 470.554 4.109 50 10 JIGE C[C@@H](CCBr)N(Cc1ccccc1)Cc1ncc(I)cn1 1893721242 ZYKDWBPXMJTFMK-ZDUSSCGKSA-N 460.157 4.257 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1C[C@@H]2CC[C@]2(CBr)C1 1903985280 WFTKWWOZKSROOV-XPTSAGLGSA-N 454.533 4.192 50 10 JIGE C[C@@H]1[C@@H](Br)CCN1S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 1914423078 GRXXVEMNFNPQEV-SVRRBLITSA-N 451.995 4.302 50 10 JIGE CC(C)(C)OC(=O)N(CCNS(=O)(=O)c1ccccc1CCl)OCc1ccccc1 1977702013 BOPMMFCUWULTOO-UHFFFAOYSA-N 454.976 4.073 50 10 JIGE CC(C)(C)OC(=O)N1C[C@H](OCc2ccc(F)cc2Br)[C@H](Br)C1 1994982611 ZKNZPISQXSIDKB-KGLIPLIRSA-N 453.146 4.488 50 10 JIGE C[C@@H](CCCCCI)NS(=O)(=O)C1CC(OCc2ccccc2)C1 2006096351 DBASIXRPQGFVIC-ZLPCBKJTSA-N 465.397 4.038 50 10 JIGE COc1cccc([C@@H](CI)OCCOCCOCc2ccccc2)c1 2056733746 KYRXVFWQGKROHC-HXUWFJFHSA-N 456.320 4.421 50 10 JIGE CN([C@H]1CC[C@H]1OCc1ccccc1)S(=O)(=O)c1cc(CBr)oc1Br 2059267718 RDGBXYVXJWMLQG-LSDHHAIUSA-N 493.217 4.305 50 10 JIGE COCCN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)cc(CBr)c1F 2059315408 ZOGIKTLXAIQOFD-UHFFFAOYSA-N 450.757 4.211 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CC2CC1(CBr)C2 2086151236 MGMNHPBJZSOPEN-UHFFFAOYSA-N 484.957 4.053 50 10 JIGE Cc1sc(CBr)cc1S(=O)(=O)N1CCCN(Cc2ccccc2)C[C@H]1C 2123230396 QHSYODOUBIISHL-OAHLLOKOSA-N 457.459 4.237 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CC[C@H](Cl)C2(CC2)C1 2142279196 NBOUBYWSPYHGDE-LBPRGKRZSA-N 454.533 4.287 50 10 JIGE CC(C)(C)OC(=O)N1CC[C@@](NC(=O)c2ccc(CBr)cc2)(C(F)(F)F)C1 2162589904 VOVDPHIGISZETO-KRWDZBQOSA-N 451.283 4.253 50 10 JIGE O=C(c1ccc(I)cc1)N1C[C@@]2(CBr)CCC[C@]2(F)C1 2176629246 AASIDCGKVPBFKI-GJZGRUSLSA-N 452.105 4.021 50 10 JIGE CCC[C@H]1CN(C(=O)c2ccc(I)c(C)c2)C[C@H]1CBr 2207108918 ZZDUEVDBHDCTQA-UONOGXRCSA-N 450.158 4.483 50 10 JIGE CC1(C)CN(C(=O)c2ccc(Cl)c(I)c2)C[C@H]1CBr 2268352164 NWAVGRUYRCHYHP-SNVBAGLBSA-N 456.549 4.438 50 10 JIGE CS(=O)(=O)C1([C@@H](Br)Cc2cc(Br)cc(Br)c2)CCC1 2277966560 UMHLZEOQNREMPE-LBPRGKRZSA-N 475.040 4.485 50 10 JIGE CNC(=O)C(C#N)=C1S[C@@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(Br)cc1 2293039261 UYEWCMYZOMRMIS-KRWDZBQOSA-N 476.783 4.275 50 10 JIGE COc1c(Br)cc(C)c([C@@H](Br)C2CS(=O)(=O)C2)c1Br 2339656745 QPIQLXZMFYQSFF-JTQLQIEISA-N 477.012 4.009 50 10 JIGE COc1ncc(Cl)cc1CO[C@]1(CI)CCCN(C(=O)OC(C)(C)C)C1 2340116178 ZDUBRZKJACXWJU-SFHVURJKSA-N 496.773 4.465 50 10 JIGE CN(Cc1c(Br)cccc1Br)S(=O)(=O)CC(C)(C)CBr 2366215105 JODHGAAKFDSJLK-UHFFFAOYSA-N 492.071 4.394 50 10 JIGE CC[C@@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc([C@H](C)CC)cc2)c1 10672198 UOYACHYIHXLURK-IAGOWNOFSA-N 457.596 4.092 50 10 JIGE COc1ccc(C(=O)N/N=C/c2cc(Cl)cc(Cl)c2O)cc1I 12573846 UXBQSPNENGBMSB-FBCYGCLPSA-N 465.074 4.076 50 10 JIGE Cc1cc(OCC(=O)NC(=S)NNC(=O)c2ccccc2Cl)c(C(C)C)cc1Br 13976514 MBAOQUWOAQWTDW-UHFFFAOYSA-N 498.830 4.249 50 10 JIGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2Cl)cc1 14029162 KLFKGDGHNACSTA-UHFFFAOYSA-N 463.987 4.014 50 10 JIGE CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(Cl)cc1 14650283 FDJKHYDDEKBYLR-UHFFFAOYSA-N 484.803 4.231 50 10 JIGE CC(C)COc1ccc(Br)cc1C(=O)NNC(=O)COc1cccc2ccccc12 14666993 BCEJWNLNFFZOEI-UHFFFAOYSA-N 471.351 4.477 50 10 JIGE COc1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccc([N+](=O)[O-])cc3O)o2)c([N+](=O)[O-])c1 33695358 JPXIIOFOGLAHCQ-WQLSENKSSA-N 450.363 4.023 50 10 JIGE COc1cc(/C=N/NC(=O)CNc2c(C)cccc2C)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 34718903 VEVZMUHSOJSTGS-MZJWZYIUSA-N 476.489 4.002 50 10 JIGE CC(=O)c1ccc(Nc2ncnc(NNC(=O)C(c3ccccc3)c3ccccc3)c2N)cc1 40782790 ANILRDIKOGESNH-UHFFFAOYSA-N 452.518 4.280 50 10 JIGE CCOC(=O)/C(C#N)=C/c1cccc(OC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)c1 40935781 WCGRRQPKPBTZRN-CPNJWEJPSA-N 466.449 4.176 50 10 JIGE O=C(N/N=C1/C(=O)N(CCOc2ccccc2)c2ccccc21)c1cccc(Br)c1 59146803 OGHASOBWHXEYGQ-NJNXFGOHSA-N 464.319 4.009 50 10 JIGE CC1=C(C(=O)N/N=C/c2cccc(Br)c2)[C@H](c2ccccc2Cl)NC(=S)N1 59384909 DEGHEYHGAPOHSS-KQFRHJRUSA-N 463.788 4.046 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)NC(C)(CCl)CCl)cc1Br 126498970 FXWJZOMQZSQVCP-UHFFFAOYSA-N 454.011 4.035 50 10 JIGE O=C(N/N=C/c1ccc(O)c(Br)c1)c1ccc2[nH]c(-c3ccccc3O)nc2c1 169926446 YBPWKUWBXXZQPT-FOKLQQMPSA-N 451.280 4.168 50 10 JIGE COCCO[C@@H]1[C@@H](Br)C[C@@H]1Oc1c(Br)cccc1Br 234683846 NQTZLFIILXIQFH-GMXVVIOVSA-N 458.972 4.158 50 10 JIGE CCc1ccc(C=NNC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(OC)cc2)cc1 254452603 SZVQVMPQSPKQRO-UHFFFAOYSA-N 472.570 4.199 50 10 JIGE FC(F)(F)Oc1nc(CBr)c(Br)cc1I 396176490 BVIUKAZWSGXMJG-UHFFFAOYSA-N 460.813 4.242 50 10 JIGE Cn1cc([C@H](Br)c2cc(I)ccc2Br)cn1 686207213 XMNLKDDTKHWPMW-NSHDSACASA-N 455.919 4.272 50 10 JIGE CC[C@@H](Cl)c1cn(-c2cc(I)cc(I)c2)nn1 690363850 OFUJEFFDAIHGGH-SNVBAGLBSA-N 473.483 4.166 50 10 JIGE Cc1cc(C=NNC(=O)C(=O)Nc2ccccc2F)c(C)n1-c1ccc(Br)cc1 725440105 JXNKAVOKLUBNJR-UHFFFAOYSA-N 457.303 4.085 50 10 JIGE O=C(NNC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1)c1ccccc1NS(=O)(=O)c1cccs1 731183390 FWWHZNYAICWYPG-LEWJYISDSA-N 491.594 4.267 50 10 JIGE Cc1ccc(-n2cnnc2SCC(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)cc1Cl 760141287 HMNJMAQKOFZCEV-UHFFFAOYSA-N 457.987 4.080 50 10 JIGE CC[C@@H](C)NC(=O)c1cccc(CNC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)c1 918596721 GOUCGMNGXPZXMS-HSJQUHBMSA-N 480.572 4.215 50 10 JIGE COc1cc(Cl)c(C=NNC(=O)COc2ccc(Br)cc2Cl)cc1OC 1083871598 IRPXWTVCKQLYOL-UHFFFAOYSA-N 462.127 4.302 50 10 JIGE COc1ccc(C=NNC(=O)CCCSc2nc3ccc([N+](=O)[O-])cc3s2)c(OC)c1 1084156229 PIJVZRQCIYJZJB-UHFFFAOYSA-N 460.537 4.244 50 10 JIGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccccc2OCc2ccccc2C#N)cc1 1084588149 JFMIUULDYVFYTH-VWLOTQADSA-N 457.530 4.500 50 10 JIGE CC1(C)[C@H]2CC[C@]1(C)/C(=N\NC(=O)CSc1nnc(CN3CCCC3)n1-c1ccccc1)C2 1087756144 YQHFAWRHOUABDL-JLQOWFRDSA-N 466.655 4.274 50 10 JIGE C[C@@H](Oc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1F)C(=O)OCc1ccccc1 1858691630 LWKIOVFYZRQHPO-CQSZACIVSA-N 455.398 4.251 50 10 JIGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@H](c2cccc(OC)c2)C(C#N)=C(N)O3)cc1 1865712484 ZWIWIZSGBPSUEJ-JOCHJYFZSA-N 451.486 4.170 50 10 JIGE N#CSc1ccc(NC(=O)[C@H](NC(=O)c2cc(-c3ccncc3)[nH]n2)c2ccccc2)cc1 1867160461 AJJIVRSRYBPPIJ-JOCHJYFZSA-N 454.515 4.155 50 10 JIGE O=S(=O)(N[C@H](CCBr)COCc1ccccc1)c1cc(Br)cs1 1902836530 XNGJENPFPRTYJH-CQSZACIVSA-N 483.247 4.159 50 10 JIGE COCC(C)(C)N(Cc1ccccc1)S(=O)(=O)c1cc(CCl)oc1Br 1915477437 CBHFLVKLEGSOJQ-UHFFFAOYSA-N 450.782 4.397 50 10 JIGE CN(C(=O)c1ccc(I)c(Br)c1)C1(CBr)CC1 2012606424 BLBJQBOLQYTGPE-UHFFFAOYSA-N 472.946 4.053 50 10 JIGE O=C(CBr)c1cc(I)c(C(F)(F)F)c(OC(F)F)c1 2060378090 JOIFKCQHTQDIPR-UHFFFAOYSA-N 458.946 4.489 50 10 JIGE CC1(C)C[C@@H](Br)CN1C(=O)c1ccc(Br)cc1I 2086147646 PQNYUGUTBPOERM-SECBINFHSA-N 486.973 4.442 50 10 JIGE Cc1csc(CBr)c1S(=O)(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 2123236466 HURUOMNEDJFDNN-MRXNPFEDSA-N 457.459 4.237 50 10 JIGE O=S1(=O)C[C@@H]2[C@H]([C@H](Br)c3scc(C(F)(F)F)c3Br)[C@@H]2C1 2174594572 OZIZMUDLQJWYFB-CJNGXTTDSA-N 454.127 4.256 50 10 JIGE Cc1c(CBr)cccc1S(=O)(=O)N1CCC(N(C)Cc2ccccc2)CC1 2179775142 KAGNLFXESVCVFU-UHFFFAOYSA-N 451.430 4.175 50 10 JIGE CN(C[C@H]1C[C@H](Br)C1)S(=O)(=O)c1ccc(Br)c(CBr)c1 2196930720 XENQAZUNEFFJSM-HOMQSWHASA-N 490.055 4.138 50 10 JIGE CC1(C)CC(CBr)(CNC(=O)c2c(F)cccc2I)C1 2282781777 WVWWTEJBYGKLAL-UHFFFAOYSA-N 454.121 4.361 50 10 JIGE C[C@@H]1[C@H](Br)C[C@H]2CC[C@H]1N2C(=O)c1c(F)cccc1I 2282792385 PQMZDRWJIGUIMS-VWMGYNLJSA-N 452.105 4.207 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@H]2CC(Br)C[C@@H]2C1 2295313837 POSFLGPJGFNZEY-GHMZBOCLSA-N 466.011 4.386 50 10 JIGE Cc1nc(I)c(I)n1-c1cc(CCl)ncc1Cl 2299695544 IHZOXRGMHBGERW-UHFFFAOYSA-N 493.901 4.177 50 10 JIGE CCCNC(=O)C(C#N)=Cc1ccc(OC(=O)CCc2ccc(OCC)c(OC)c2)c(OC)c1 2314790210 LHXJGDSLERVEIO-UHFFFAOYSA-N 466.534 4.074 50 10 JIGE COC(=O)c1c(NC(=O)C=Cc2ccc(OC(C)=O)c(OC)c2)sc(C(C)=CC#N)c1C 2331560142 BAPTVZPNQXQSGN-UHFFFAOYSA-N 454.504 4.356 50 10 JIGE CC(C)(C)OC(=O)NC[C@@H]1CN(C[C@]2(CBr)CC2(F)F)CC[C@@H]1C(F)(F)F 2379985512 IUUBRGMCVCDNBD-TYNCELHUSA-N 465.301 4.432 50 10 JIGE COc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)NCc3ccco3)N(c3ccccc3)C2=O)cc1 33558743 HPDIOSJTTAZCTI-FNBPXTNNSA-N 459.527 4.031 50 10 JIGE CCOc1cc(/C=C2/C(=O)N(CCOC)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 38606236 JOOCMEVEZOZYPO-FYJGNVAPSA-N 464.493 4.042 50 10 JIGE N#CC1=C(N)Oc2cc(OC(=O)c3cc4ccccc4oc3=O)ccc2[C@H]1c1ccccc1F 38687934 JMKFPRKVBBCKOC-HSZRJFAPSA-N 454.413 4.369 50 10 JIGE O=C(COc1ccccc1)NNC(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2cccs2)cc1 39852369 IPXSPLRCVFYGMD-UHFFFAOYSA-N 486.475 4.460 50 10 JIGE Cc1ccc(C)c(Nc2ncnc(NNC(=O)c3ccccc3Br)c2[N+](=O)[O-])c1 40592154 PZTNSGHQXRKXOA-UHFFFAOYSA-N 457.288 4.265 50 10 JIGE CCOc1cc(/C=C(/C#N)S(=O)(=O)c2ccccc2)c(Br)cc1OC(C)=O 98064025 ATJOUVUXXOKZIZ-SXGWCWSVSA-N 450.310 4.111 50 10 JIGE Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(N(CCCl)CCCl)cc3)C2=O)c1C 103812941 MITCAYADSGPLMQ-XMHGGMMESA-N 460.361 4.254 50 10 JIGE CCOc1cc(/C=C2\C(=O)N(CCCOC)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 214294802 UPTRUPKSBPCKSS-STZFKDTASA-N 478.520 4.432 50 10 JIGE Cc1cc(O)ccc1N/C=C(/C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216490566 YQNOOFFDTYGPBH-GFMRDNFCSA-N 452.558 4.454 50 10 JIGE O=C(N[C@H]1CCCC[C@H]1Br)c1cc(Br)ccc1I 232486500 ZGWKAPZPFZCMOI-PWSUYJOCSA-N 486.973 4.490 50 10 JIGE O=C(NN=C1C(=O)N(CN2CCCC2)c2ccc(Br)cc21)c1cccc2ccccc12 254672379 GUCKENXPULMFLN-UHFFFAOYSA-N 477.362 4.136 50 10 JIGE C=CCc1ccccc1OCC(=O)NN=Cc1ccc(OC(=O)c2ccc(C)cc2)c(OC)c1 254870276 SLNRXOMGZBAEEY-UHFFFAOYSA-N 458.514 4.480 50 10 JIGE COc1ccccc1NC(=O)COc1ccc(C=NNC(=O)CCSc2ccccc2)cc1 254875289 ZSMFAFCVGJHDCY-UHFFFAOYSA-N 463.559 4.345 50 10 JIGE FC(F)(F)Oc1c(CBr)cc(Br)nc1I 396189532 ZECRYAGUDDEIHG-UHFFFAOYSA-N 460.813 4.242 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CCC(F)(F)[C@@H](CCl)C1 721607522 BVDNYIFOKIIFIJ-VIFPVBQESA-N 478.502 4.390 50 10 JIGE CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NNC(=O)C(C)(C)c1ccccc1 731231576 UMDLCAXSHHHRKG-LJQANCHMSA-N 464.393 4.263 50 10 JIGE COc1ccccc1N(CC(=O)NN=C(C)CCc1ccccc1)S(=O)(=O)c1ccccc1 1084160181 ZGRAYRCRJHSQJD-UHFFFAOYSA-N 465.575 4.015 50 10 JIGE CC(=NNc1nc(SCC(=O)NNC(=O)c2ccc(Cl)cc2)n[nH]1)c1ccc2ccccc2c1 1084401261 LFIMESDIOMYMNO-UHFFFAOYSA-N 493.980 4.001 50 10 JIGE O=C(NNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1Cl)c1cc(Cl)cc([N+](=O)[O-])c1Cl 1615945373 QBUYTENHQGKRIN-UHFFFAOYSA-N 468.036 4.191 50 10 JIGE C/C(=C/c1ccc(Cl)cc1)C(=O)NNc1nc2ccccc2c(=O)n1CCCOC(C)C 1617519235 KAMHWISYCCVNSU-ICFOKQHNSA-N 454.958 4.412 50 10 JIGE CCOc1ccc(C=NNC(=O)COc2ccc(Br)cc2Br)cc1OC 1772754680 PHAOORZHISUZCK-UHFFFAOYSA-N 486.160 4.148 50 10 JIGE Cc1ccc(NC(=O)[C@@H](C)Oc2cccnc2NC(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1 1858683242 GNAJIQZVPZEGFN-CQSZACIVSA-N 454.414 4.454 50 10 JIGE COCc1ccc(CO[C@](C)(CI)CNC(=O)OC(C)(C)C)s1 1902481278 GOQYESJIZNONMO-MRXNPFEDSA-N 455.358 4.130 50 10 JIGE Cc1c(Br)sc([C@@H](Br)[C@H](C)S(C)(=O)=O)c1Br 1922934168 CVXKILBAADBJJC-FSPLSTOPSA-N 455.031 4.451 50 10 JIGE O=C(NCCC(F)(F)CBr)c1ccc(I)c(Cl)c1 2064903364 MYUMDCJYVPVFHC-UHFFFAOYSA-N 452.464 4.095 50 10 JIGE Cc1sc(CBr)cc1S(=O)(=O)N1CCC[C@@H](N(C)Cc2ccccc2)C1 2123238222 UDODQMHEEBGGOV-QGZVFWFLSA-N 457.459 4.237 50 10 JIGE O=C(N[C@@H]1CC[C@H]2C[C@@]21CBr)c1cc(I)ccc1Br 2132117813 YWQMZYKFIUGFTI-REAQECSSSA-N 498.984 4.347 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CCC2(CC(Cl)C2)C1 2142289531 QTEDCHSWCWVKSK-UHFFFAOYSA-N 454.533 4.287 50 10 JIGE CC1(C)CCC[C@]1(CBr)NC(=O)Cc1ccccc1I 2150545840 PSRVVVXCFZMCCV-MRXNPFEDSA-N 450.158 4.294 50 10 JIGE CN(C[C@@]1(C)CC1(F)F)S(=O)(=O)c1cc(CBr)sc1Br 2179788607 FEBJZXDIPCSBNU-SNVBAGLBSA-N 453.168 4.071 50 10 JIGE CCN(CC)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(CCBr)cc1 2179788860 ILBKCZFGQVNSHB-UHFFFAOYSA-N 453.446 4.157 50 10 JIGE Cc1csc(CBr)c1S(=O)(=O)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 2179818091 VIFUSUJCDMMQSP-MSOLQXFVSA-N 469.470 4.094 50 10 JIGE CN(C[C@H]1CCCCN1Cc1ccccc1)S(=O)(=O)c1ccc(CCBr)s1 2179821886 PDPSIAFPVHHHRX-GOSISDBHSA-N 471.486 4.361 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC2(C(C)(C)C)COC2)C1 2250826226 LLTXLYXQUBHMNG-QGZVFWFLSA-N 453.361 4.023 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N1CCC(I)CC1 2263509009 HDXJRGSUFHVGTG-UHFFFAOYSA-N 486.973 4.180 50 10 JIGE O=S(=O)(C[C@@H](Br)c1scc(Br)c1Cl)N1CCCCC1 2264609912 PREPLJZAKPTFJA-SECBINFHSA-N 451.633 4.416 50 10 JIGE C[C@H]1CCN(C(=O)Cc2cc(Br)cc(Br)c2)[C@H]1CBr 2277930612 DWFGMJVCVMOOIX-ZANVPECISA-N 454.000 4.386 50 10 JIGE CCOc1cc(C=C(C#N)C(=O)NCc2ccccc2)cc(I)c1OCC 2313518468 FENDPNVGUQWTLD-UHFFFAOYSA-N 476.314 4.312 50 10 JIGE COc1ccc(CCN2C(=O)C(=CNc3ccccc3C(F)(F)F)C(C)=C(C#N)C2=O)cc1 2314579625 YPFTVJVFJJHFLO-UHFFFAOYSA-N 455.436 4.461 50 10 JIGE COc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1cc(C)cc(C)c1C 2314737747 PFLJBJJRAVEEEN-UHFFFAOYSA-N 474.513 4.421 50 10 JIGE COc1cc(C=NNC(=O)[C@H](C)NC(=O)OC(C)(C)C)ccc1OCc1cccc(Cl)c1 2328795128 ORJUQIIXGLLJML-HNNXBMFYSA-N 461.946 4.291 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CC[C@H]2C[C@]1(CBr)C2 2336788808 SXTXUBJLOPWJLF-DEZZCRIOSA-N 498.984 4.443 50 10 JIGE Cc1nc(CCl)cnc1OCc1ccc(I)c(Br)c1 2350073990 XBSAPZMIWPNDMX-UHFFFAOYSA-N 453.505 4.470 50 10 JIGE N#Cc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 3089015 YMJPGTWSHXKQJV-VULFUBBASA-N 487.368 4.211 50 10 JIGE CCOc1cc(C=NNC(=O)c2ccc(NC(=O)CC)cc2)ccc1OC(=O)c1ccccc1 13108824 NCAMWRRUJCGZPI-UHFFFAOYSA-N 459.502 4.417 50 10 JIGE aggregator CC(C)Oc1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)cc1Br 14658767 MSVBTANSHVXNQB-UHFFFAOYSA-N 476.154 4.383 50 10 JIGE CCOC(=O)c1cnn(-c2cc(C)c3cc(C)cc(C)c3n2)c1NC(=O)[C@@H](C)Br 170536572 XMHGIXAPMUZYGT-CQSZACIVSA-N 459.344 4.244 50 10 JIGE CC1(C)C[C@H](NC(=O)Nc2n[nH]c3c2CCN(Cc2ccccc2)C3)C[C@](C)(CN=C=O)C1 229113936 LGCNNXBQMUOUTB-DFBJGRDBSA-N 450.587 4.010 50 10 JIGE CC(=C/c1ccccc1)/C=C(/NC(=O)c1ccccc1)C(=O)NN=Cc1cccc([N+](=O)[O-])c1 254345480 ZLKJFDMRPNMYGE-RBAVIZDKSA-N 454.486 4.462 50 10 JIGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=C/C=C\c2ccc(C)o2)cc1OC 254710984 RQOFSNIXQBGOEC-MEDOYDFZSA-N 459.502 4.192 50 10 JIGE CCC(C)(C)C(=O)O[C@@H]1CC(C)=CC2=C[C@H](OO)[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]21 255974615 GORLEWXBBZEXHV-YYHWFEIDSA-N 450.572 4.198 50 10 JIGE Cn1cc(Br)c([C@H](Br)c2cc3c(cc2Br)OCCO3)n1 693042265 BVMYVIPNJPIQLT-GFCCVEGCSA-N 466.955 4.201 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CCSC[C@H]1CCCl 721511238 SPMGKVJNVGVEFJ-SNVBAGLBSA-N 474.589 4.240 50 10 JIGE COc1ccc2c(COC(=O)/C(C#N)=C\c3cn(CCC#N)nc3-c3ccccc3)cc(=O)oc2c1 761395997 AMKWPGJKLBJNAY-UNOMPAQXSA-N 480.480 4.229 50 10 JIGE C=CC[C@]1(C(=O)NNC(=O)c2ccc(OCCC(C)C)cc2)CCCN1C(=O)OC(C)(C)C 1540386544 VNADIPHGCQIBOA-RUZDIDTESA-N 459.587 4.218 50 10 JIGE C#Cc1cccc(NC(=S)NNC(=O)c2ccsc2NC(=O)c2ccccc2Cl)c1 1651317787 RYZJGKLEWRFYBM-UHFFFAOYSA-N 454.964 4.267 50 10 JIGE COC(=O)c1ccccc1N(C)C(=O)c1oc2c(c1C)C(=NNC(=O)c1cccs1)CCC2 1772749717 PPJKGJPMKOPFJZ-UHFFFAOYSA-N 465.531 4.183 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)cc2)[C@H]1c1ccc(C(=O)O)cc1 1865709427 VIUWITNRTHBKIS-HNNXBMFYSA-N 460.799 4.461 50 10 JIGE Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865714092 CJBUEPYLGXTDFQ-IBGZPJMESA-N 472.288 4.379 50 10 JIGE CCN(c1ccccc1)S(=O)(=O)c1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC)cc1 1866126750 LUTOBMUUPUERHM-LVZFUZTISA-N 461.543 4.456 50 10 JIGE O=C(CBr)c1cc(Br)c(I)c(OC(F)F)c1 2054813822 FKVQYRZCVQLFPN-UHFFFAOYSA-N 469.845 4.233 50 10 JIGE Cc1sc(CBr)cc1S(=O)(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C 2123230395 QHSYODOUBIISHL-HNNXBMFYSA-N 457.459 4.237 50 10 JIGE CN([C@H]1CN(Cc2ccccc2)C(C)(C)C1)S(=O)(=O)c1csc(CBr)c1 2123237366 OLVWWPQTBDGUEV-MRXNPFEDSA-N 457.459 4.317 50 10 JIGE CN(Cc1ccccc1)[C@H]1CCCCN(S(=O)(=O)c2ccc(CBr)cc2)C1 2169166623 NQOXLFPBSDBGGO-FQEVSTJZSA-N 451.430 4.257 50 10 JIGE O=C(c1cc(I)ccc1F)N1C[C@H]2CCC[C@@]2(CBr)C1 2169662690 KXZUJPSRDDWOMD-MEBBXXQBSA-N 452.105 4.068 50 10 JIGE CCN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(CCBr)s1 2179823416 JHUNYRWQSDPQBA-UHFFFAOYSA-N 471.486 4.361 50 10 JIGE O=S(=O)(c1cc(CBr)cc(F)c1F)N1CCC(OCc2ccccc2)CC1 2179859603 GQQLSOPLFFCQHN-UHFFFAOYSA-N 460.340 4.230 50 10 JIGE O=C(N[C@]1(CBr)C[C@H]2CC[C@H]1C2)c1cc(I)ccc1F 2283920849 RTUJCMFCLQXNCU-YHAQOWFVSA-N 452.105 4.114 50 10 JIGE C[C@H](NC(=O)C(C#N)=CNC1CCN(C(=O)OC(C)(C)C)CC1)c1ccc2c(c1)CCCC2 2325119227 FQQGGHOLANGUCQ-SFHVURJKSA-N 452.599 4.139 50 10 JIGE Cn1ncc(I)c1-n1c(CCl)nc2c(F)cc(Br)cc21 2381866496 FGOYUAVGTPVJME-UHFFFAOYSA-N 469.483 4.004 50 10 JIGE CCOc1ccc(NC(=O)[C@H](c2ccccn2)N(C(=O)CCl)c2ccc(OC)cc2)cc1 4789155 VOJCVQNEOCTIOL-QHCPKHFHSA-N 453.926 4.441 50 10 JIGE CN1C(=C(C#N)C(=O)COc2ccc(Br)cc2Br)N(C)c2ccccc21 25592199 WUUWSZJITPKPQJ-UHFFFAOYSA-N 477.156 4.481 50 10 JIGE Nc1c(NNC(=O)c2ccc(Br)cc2)ncnc1Nc1ccccc1C(F)(F)F 40701821 UEKCOWRSUQYNDY-UHFFFAOYSA-N 467.249 4.341 50 10 JIGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(-c3ccc(C(=O)O)cc3C)o2)cc1 58894636 XERMSOGBSVLQPJ-XLBQOGMNSA-N 450.491 4.316 50 10 JIGE Cc1cc(S(=O)(=O)N[C@@H](CBr)Cc2ccccc2)sc1Br 136909961 OKYSTPDZNFRRKG-GFCCVEGCSA-N 453.221 4.104 50 10 JIGE CCCN(CCBr)S(=O)(=O)c1cc(Br)c(C)cc1Br 158639563 ICRMDWBSHUZMST-UHFFFAOYSA-N 478.044 4.316 50 10 JIGE COc1cc(Br)cc(Br)c1OCC(=O)NN=C(C)c1ccc(F)cc1 252602256 FGWFYYBTVWFMHD-UHFFFAOYSA-N 474.124 4.279 50 10 JIGE CCCCCCn1c(=O)c(C(=O)NN=Cc2ccc(O)c(OCC)c2)c(O)c2ccccc21 254305917 ZGXLNMXXLJSAHZ-UHFFFAOYSA-N 451.523 4.156 50 10 JIGE ClCc1ccc(-n2cnc(I)c2I)c(Cl)c1 309176240 XJQJWANOFDLRNT-UHFFFAOYSA-N 478.886 4.474 50 10 JIGE C[C@H]1[C@@H](CBr)CCN1C(=O)c1cc(I)ccc1Br 385959802 YRZFQMUNLHEOKN-DTWKUNHWSA-N 486.973 4.299 50 10 JIGE O=C(NC[C@H]1CCCO1)[C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725237325 DCXAIHGNNXNNOY-QAPCUYQASA-N 460.905 4.375 50 10 JIGE COc1ccc(-c2cnc(CCC(=O)NNC(=O)c3ccc(Br)cc3Cl)o2)cc1 728827605 VKGZMKGSTMYFNA-UHFFFAOYSA-N 478.730 4.160 50 10 JIGE COc1ccc(-c2nn(CCC#N)cc2/C=C(/C#N)C(=O)OCc2ccc(C#N)cc2)cc1OC 765866807 UUMMZJWZTYGZAX-MTJSOVHGSA-N 467.485 4.003 50 10 JIGE COc1cc(OC)c(C=NNC(=O)COc2ccc(Br)c(C)c2)cc1Br 1084321772 ZTESJIKULBGIBL-UHFFFAOYSA-N 486.160 4.066 50 10 JIGE C#Cc1cccc(NC(=O)CN(C)C(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3C)c2C)c1 1527474931 AOHMEPGQXCLMJV-JLPGSUDCSA-N 450.542 4.388 50 10 JIGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@H](c2ccc(O)cc2O)C(C#N)=C(N)O3)cc1 1865681372 LMWMGSIBGKDVPU-HSZRJFAPSA-N 466.497 4.486 50 10 JIGE Cn1nc(-c2ccccc2F)c(C#N)c1NC(=O)/C(C#N)=C/c1cccc(Br)c1 1866131664 HQCYRWVJDZPJFJ-NTEUORMPSA-N 450.271 4.406 50 10 JIGE CCOc1cc(-n2nc(CBr)c(I)c2C(F)(F)F)ccn1 2078926340 GKRIPRKTULFQMS-UHFFFAOYSA-N 476.034 4.184 50 10 JIGE Cn1ncc([C@@H](Br)c2cc(Br)c3c(c2)CCO3)c1Br 2090460437 JOEYCPFSCUHEBT-NSHDSACASA-N 450.956 4.364 50 10 JIGE O=C(NC[C@]1(F)C[C@@H](CBr)C1)c1ccc(Br)cc1Br 2112238926 ZVFRMVBFKVIUHI-KTLJEJPDSA-N 457.963 4.455 50 10 JIGE CC[C@H]1CN(S(=O)(=O)c2c(C)csc2CBr)CCN1Cc1ccccc1 2123244567 XXJAPYGDXPIJAU-KRWDZBQOSA-N 457.459 4.237 50 10 JIGE O=S1(=O)C[C@H]2[C@@H](C1)[C@@H]2[C@H](Br)c1scc(C(F)(F)F)c1Br 2174594573 OZIZMUDLQJWYFB-KKGCVSRLSA-N 454.127 4.256 50 10 JIGE CCN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(CBr)ccc1C 2179790522 FQZLEEWMZNQFNH-HXUWFJFHSA-N 451.430 4.175 50 10 JIGE CN(C[C@@H]1CCCCN1Cc1ccccc1)S(=O)(=O)c1ccc(CCBr)s1 2179821887 PDPSIAFPVHHHRX-SFHVURJKSA-N 471.486 4.361 50 10 JIGE CN([C@H]1CN(Cc2ccccc2)C(C)(C)C1)S(=O)(=O)C1CCC(CBr)CC1 2179826511 SXQZTYRNHMBJQB-SKINQDTJSA-N 457.478 4.255 50 10 JIGE Cc1cc(CBr)cc(S(=O)(=O)N(C)CC2(Br)CC2)c1Br 2196938599 RTTKETDQEIZYGC-UHFFFAOYSA-N 490.055 4.200 50 10 JIGE CN(C[C@H](Cl)COCc1ccccc1)S(=O)(=O)Cc1ccsc1Br 2213761344 UZHPEKHISUVYJM-HNNXBMFYSA-N 452.823 4.096 50 10 JIGE BrC[C@]12CN(Cc3cc(Br)ccc3Br)C[C@@H]1CCO2 2231267535 RVMZJAHGNRCOQK-FZMZJTMJSA-N 454.000 4.197 50 10 JIGE C[C@@H](Cl)CN(CCC(C)(C)C)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2288018885 CBZVMGCRRXILAZ-MRXNPFEDSA-N 457.036 4.004 50 10 JIGE CCc1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)S(=O)(=O)c2ccccc2)cc1 2296543606 PZPPUDKBVGEJHZ-UHFFFAOYSA-N 457.511 4.388 50 10 JIGE COc1ccc(N(C(=O)C(C#N)=Cc2ccccc2OC)S(=O)(=O)c2ccc(C)cc2)cc1 2314777499 HPTMVHRSPWYGGY-UHFFFAOYSA-N 462.527 4.341 50 10 JIGE C[C@H](CCCCCBr)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338853615 YNOOCYIUIQRPAO-QGZVFWFLSA-N 487.460 4.106 50 10 JIGE CN(C1(CBr)CC(C)(C)C1)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364215140 RHNDLFBJSDOPLL-UHFFFAOYSA-N 499.471 4.058 50 10 JIGE Cl[C@@H]1CN(Cc2ccc(I)c(Br)c2)CC12CCOCC2 2377345240 CLNMIBDRSDBUAM-CQSZACIVSA-N 470.576 4.274 50 10 JIGE O=C(CCCBr)Nc1cc(-c2cccs2)nn1-c1nc(-c2ccccc2)cc(=O)[nH]1 11855356 MAUVBKAJBPLMIV-UHFFFAOYSA-N 484.379 4.465 50 10 JIGE Cc1ccc(O[C@@H](C)C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 13989370 ZPWXWGJVYUYVLM-HNNXBMFYSA-N 463.372 4.049 50 10 JIGE O=C(COc1ccc2ccccc2c1)NNC(=O)c1cccc(OCCOc2ccccc2)c1 14040893 FUHIFXSNKQTWSU-UHFFFAOYSA-N 456.498 4.138 50 10 JIGE CCOc1ccc(C(=O)NNC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)cc1 28431489 MORQBBVKSZYHEZ-UHFFFAOYSA-N 458.440 4.242 50 10 JIGE C/C(=N/NC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1)c1ccc(-n2ccnc2)cc1 33404990 QDEPTMTWOGWOAF-PKAZHMFMSA-N 493.976 4.481 50 10 JIGE COc1ccc(CNc2ncnc(NNC(=O)C(c3ccccc3)c3ccccc3)c2[N+](=O)[O-])cc1 40619319 KBXUXAIOJVDLGE-UHFFFAOYSA-N 484.516 4.281 50 10 JIGE Cc1ccc2cccc(Nc3ncnc(NNC(=O)COc4ccc(Cl)cc4Cl)c3N)c2n1 40758692 POIROWDGFGNREZ-UHFFFAOYSA-N 484.347 4.488 50 10 JIGE CCOC(=O)c1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1cccc(OC)c1)CCC2 40822452 RVECSBBFBYUQTE-XHLNEMQHSA-N 489.528 4.496 50 10 JIGE COc1cc(/C=N/NC(=O)CSc2ccccc2)ccc1OCc1ccc(C(=O)O)cc1 59147436 UHGLPSHILIXZSE-AFUMVMLFSA-N 450.516 4.215 50 10 JIGE CCCOc1ccc(/C=N\NC(=O)c2cccn(Cc3ccccc3Cl)c2=O)cc1OC 169920772 WUFWMLQLDKITSR-YSMPRRRNSA-N 453.926 4.111 50 10 JIGE O=C(NC[C@H]1CCC[C@@H]1CCl)c1cc(I)ccc1Br 236018695 SKCLVSMIIXOBDD-NXEZZACHSA-N 456.549 4.439 50 10 JIGE CC[C@@H](C)N(CCBr)S(=O)(=O)c1cc(Br)ccc1Br 311899991 AFLYKEYTXDWASL-SECBINFHSA-N 478.044 4.396 50 10 JIGE COc1cc(F)c(Br)cc1[C@@H](Cl)c1cnn(C)c1I 381866492 FHCWNYUDBDMRKQ-LLVKDONJSA-N 459.484 4.263 50 10 JIGE FC(F)(F)Oc1nc(Br)c(CBr)cc1I 396178692 JOLAAXYUQQDIRS-UHFFFAOYSA-N 460.813 4.242 50 10 JIGE O=C(CBr)c1c(Br)ccc(I)c1OC(F)F 575682026 GWKOHEGJCRXKGP-UHFFFAOYSA-N 469.845 4.233 50 10 JIGE Cc1cc(C=NNC(=O)[C@@H]2COc3ccccc3O2)c(C)n1-c1cccc(Br)c1 725414729 QNXKYWDWJRTEPY-NRFANRHFSA-N 454.324 4.147 50 10 JIGE CCC(C)(C)NC(=O)[C@H](C)OC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1 854206671 BPWNTZSDEKHPEX-CQUHBBLWSA-N 467.957 4.261 50 10 JIGE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NNc1ccc(S(=O)(=O)c2ccc(C(C)C)cc2)cc1 1227480558 VFNIYGVHTBPLBD-AUSIDOKSSA-N 457.596 4.250 50 10 JIGE COCCCNC(=O)c1oc2c(c1C)C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772749227 RLLWAGADZLSJIR-UHFFFAOYSA-N 473.573 4.343 50 10 JIGE CC[C@](C)(NC(=O)[C@H]1CCCN1Cc1ccccc1F)C(=O)Nc1ccc(SC#N)cc1 1866919287 LOZUNUWMEAFGIO-QPPBQGQZSA-N 454.571 4.287 50 10 JIGE C[C@@H]1C[C@@H](Br)CCN1c1ncc(I)cc1Br 1988534095 FUKMPSJINFNTKE-SFYZADRCSA-N 459.951 4.201 50 10 JIGE CN(CCOCc1ccccc1)S(=O)(=O)c1cc(Br)cc(CBr)c1F 2059292351 VZPIEQBNTJDBIB-UHFFFAOYSA-N 495.208 4.320 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@H](Cl)C2(CCC2)C1 2108701521 NRRHXCKOGLWIKE-LBPRGKRZSA-N 454.533 4.287 50 10 JIGE C[C@H](Br)C12CCC(CC1)N2C(=O)c1cccc(F)c1I 2153391482 IJLNDBNBFKCWRV-YLTRJXTNSA-N 452.105 4.351 50 10 JIGE O=C(c1cccc(F)c1I)N1[C@H](CBr)C[C@H]2CCC[C@@H]21 2164661508 GCBKCHXHHRFXRX-NRUUGDAUSA-N 452.105 4.208 50 10 JIGE Cc1ccc(S(=O)(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)cc1CBr 2179786389 ZVOORRKMLUFCRH-SFHVURJKSA-N 451.430 4.175 50 10 JIGE Cc1cc(S(=O)(=O)N2C[C@H]3C[C@@H](CN(Cc4ccccc4)C3)C2)sc1CBr 2179820968 DRUFBBSHSKXOGW-ROUUACIJSA-N 469.470 4.094 50 10 JIGE Clc1cc(CN2C[C@@H]3CC[C@H](CBr)O[C@@H]3C2)ccc1I 2289171867 GUNXKJBQFXSCJR-YWPYICTPSA-N 470.576 4.319 50 10 JIGE Clc1ccc(I)cc1COC1(CI)CCOCC1 2327238159 OEMXDEYTYGBVSB-UHFFFAOYSA-N 492.522 4.445 50 10 JIGE C/C(=N/NC(=O)COc1c(C)cc(Br)cc1Br)c1cccc(N)c1 12483486 NIZXDUREDCHSCJ-NHDPSOOVSA-N 455.150 4.021 50 10 JIGE N[C@@H](CSSC[C@H](N)CC1CCC(CC(=O)O)CC1)CC1CCC(CC(=O)O)CC1 13736518 KOSYXJAUSIIJSK-MHUBRMLGSA-N 460.706 4.365 50 10 JIGE CCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(-c2ccccc2)cc1 14032431 VDNLMZLYERTHNA-UHFFFAOYSA-N 477.586 4.247 50 10 JIGE Cc1cccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cncc(Br)c2)CCC3)n1 40823134 GGCKUWOCGDEOCX-JVWAILMASA-N 482.338 4.172 50 10 JIGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(C)n(-c3ccc(C(=O)O)cc3C)c2C)cc1 58894548 IBQBTVFRPRWFPX-WWUVGGQHSA-N 477.561 4.463 50 10 JIGE COc1ccc(N2C(=O)[C@@H](Cc3ccccc3F)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242285 WKPBFWJOAKGOSR-IVYNLYIOSA-N 477.517 4.170 50 10 JIGE CCOc1c(OC)cc(/C=N/NC(=O)c2ccc3[nH]c(-c4ccccc4)nc3c2)cc1[N+](=O)[O-] 169926894 YAIMWNKACDCHDH-AFUMVMLFSA-N 459.462 4.309 50 10 JIGE FC(F)c1c(CBr)ncc(I)c1I 238555543 ZIGVVNQABIVREU-UHFFFAOYSA-N 473.824 4.123 50 10 JIGE FC(F)(F)Oc1cc(Br)c(CBr)nc1I 396185918 VUGPHTXRFWWSKX-UHFFFAOYSA-N 460.813 4.242 50 10 JIGE C[C@H]1CCCN(C(=O)c2ccc(F)cc2I)[C@@H]1CCBr 700330552 UWUIETMICBEATQ-IINYFYTJSA-N 454.121 4.456 50 10 JIGE COc1ccccc1[C@H](C)NC(=O)[C@@H](C)OC(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C 855281891 DWOJGEQLGOMYEM-CUNBLQMJSA-N 451.567 4.486 50 10 JIGE O=C(NN=Cc1cc([N+](=O)[O-])ccc1Cl)c1ccn(Cc2cccc(Br)c2)n1 1084349069 FFYRBBKPBOSJNQ-UHFFFAOYSA-N 462.691 4.019 50 10 JIGE C#CCCOc1ccc(C(=O)NNc2nc3ccccc3c(=O)n2-c2ccc(C)cc2C)cc1 1465160942 SJMBNBJETKFBDH-UHFFFAOYSA-N 452.514 4.162 50 10 JIGE Cc1c(C(=O)N2CCCc3ccccc32)oc2c1C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772747895 VWFNUUCLRCKUFN-UHFFFAOYSA-N 486.528 4.489 50 10 JIGE CCCOc1ccc(C(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] 1860396357 LDKZEEYFUMTHBC-UHFFFAOYSA-N 470.309 4.311 50 10 JIGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1cc(OC)c(OC)c(OC)c1)C(C#N)=C(N)O2 1865691994 GZQQHFPPCYBLIZ-JOCHJYFZSA-N 476.533 4.077 50 10 JIGE CN(C[C@H]1C[C@H](Br)C1)[C@H](CN)c1cc(Br)ccc1Br 1887892988 LQYDFNONLOHSHJ-GLXFQSAKSA-N 455.032 4.317 50 10 JIGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N(Cc1ccccc1)C(C)(C)CCl 1915759927 JHPBWDXRAPGSJJ-UHFFFAOYSA-N 477.026 4.158 50 10 JIGE CC[C@H](CBr)CNC(=O)c1cc(Br)ccc1I 1948706952 RVUMBQOIJREOCA-MRVPVSSYSA-N 474.962 4.205 50 10 JIGE CC(C)(CBr)CNC(=O)c1ccc(Br)cc1I 2026215763 BSZRSXSSLZALEJ-UHFFFAOYSA-N 474.962 4.205 50 10 JIGE C[C@](CBr)(NC(=O)c1cc(I)ccc1Br)C1CC1 2029957590 RRZBORQYBDTJFM-CYBMUJFWSA-N 486.973 4.347 50 10 JIGE C/C(=N\NC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1ccc(NC(=O)C2CC2)cc1 2059028342 VYKPSLDFERFAQF-MFKUBSTISA-N 482.587 4.051 50 10 JIGE O=S(=O)(C[C@H](Br)c1ccc(Br)cc1Br)N1CCCC1 2089390140 XDYPPHXYUCTORK-LBPRGKRZSA-N 476.028 4.073 50 10 JIGE CN1CCC[C@@H]([C@H](Br)c2c(Br)cccc2Br)S1(=O)=O 2094099957 YQKDTFHHAYAVFL-JQWIXIFHSA-N 476.028 4.072 50 10 JIGE O=C(N[C@H](CBr)c1ccsc1)c1cc(I)ccc1F 2119056708 NRDXWKANFTVVQX-GFCCVEGCSA-N 454.102 4.358 50 10 JIGE CCc1nn(-c2cc(CBr)sc2[N+](=O)[O-])c(CC)c1I 2150312421 UAQAZSWPCWEZOD-UHFFFAOYSA-N 470.130 4.466 50 10 JIGE O=S(=O)(NC12CC(CBr)(C1)C2)c1c(Cl)cc(Br)cc1Cl 2151182777 SDPQLRTXOQTZRU-UHFFFAOYSA-N 464.006 4.352 50 10 JIGE CC(C)(C)OC(=O)N[C@H](C[S@](C)(=O)=NCC1(CBr)CCOCC1)C(C)(C)C 2163065201 YHKRLYXDIXCFEJ-RXAIFQJESA-N 469.486 4.215 50 10 JIGE O=C(c1csc(Br)c1Br)N1C[C@H](CBr)OC2(CCC2)C1 2165765534 HZMRMLXPLRYPCV-QMMMGPOBSA-N 488.039 4.432 50 10 JIGE CC[C@H](Br)[C@H]1CCCCN1C(=O)c1cc(I)ccc1O 2170617716 XNRWYSAKUJMGKJ-QWHCGFSZSA-N 452.130 4.165 50 10 JIGE Cc1oc(CBr)cc1S(=O)(=O)N(C)[C@@H]1CC(C)(C)[C@H]1OCc1ccccc1 2179813450 WVWVNJPQUQSCBC-MJGOQNOKSA-N 456.402 4.487 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CCC2(CC2)N(C(=O)OC(C)(C)C)C1 2211193252 USPSIIUXLXJNMH-INIZCTEOSA-N 461.694 4.414 50 10 JIGE C[C@H](Cl)c1nc2cc(I)ccc2n1-c1cn(C)nc1Br 2238990695 HZGNMWVTKYPGQR-ZETCQYMHSA-N 465.520 4.426 50 10 JIGE CCOC(=O)C(C#N)=C1S[C@H](Cc2ccccc2)C(=O)N1c1ccc(Br)cc1 2293039277 WZJWIBPKBYFVKB-GOSISDBHSA-N 457.349 4.438 50 10 JIGE Clc1ccc(I)cc1CN1CC2(CCOCC2)[C@@H]1CBr 2381032907 DBADZMGNXJFAAE-AWEZNQCLSA-N 470.576 4.321 50 10 JIGE COc1ccc(/C=N/NC(=O)COc2c(C)cc(Br)cc2C)cc1Br 3101552 ZFJCBXBALMIXRA-ZVBGSRNCSA-N 470.161 4.366 50 10 JIGE Cc1ccc2occ(/C=N\NC(=O)COc3ccc(Br)cc3-c3ccno3)c(=O)c2c1 8382585 DAVSERBSXXLMDX-VROXFSQNSA-N 482.290 4.048 50 10 JIGE O=C(NNC(=O)[C@@H]1Cc2ccccc2S1)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1 14306327 CCRMOAKXLIDDDR-DEOSSOPVSA-N 479.561 4.478 50 10 JIGE Cc1ccccc1N[C@H](C)C(=O)N/N=C/c1cc(Br)c(O)c(Br)c1 20418887 ZOOOYYBOGMBZDX-GXBAXFRPSA-N 455.150 4.176 50 10 JIGE Cc1cccnc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1cncc(Br)c1)CCC2 40822919 OMTMTFIHRZKFTO-JVWAILMASA-N 482.338 4.172 50 10 JIGE C[C@H](Sc1ccccn1)C(=O)N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21 59154414 JQXFSOYJVVQSSN-UZGAPFOWSA-N 450.951 4.283 50 10 JIGE COc1cc(Br)cc(/C=N\NC(=O)CSc2nc3ccccc3s2)c1O 105944767 AFLXQMFCISAKRZ-UWVJOHFNSA-N 452.355 4.015 50 10 JIGE C=CCOc1cccc(C=NNC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c1 252623373 OPNHPXFNXCALKH-UHFFFAOYSA-N 483.977 4.250 50 10 JIGE CSc1ccc(C=NNC(=O)COc2ccc(Br)cc2Br)cc1 254303352 WHQSQSCXOVYTGF-UHFFFAOYSA-N 458.175 4.463 50 10 JIGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccc(OCC)cc3)cc2)cc1 254513777 OFILDCZPLMGTLP-UHFFFAOYSA-N 489.528 4.182 50 10 JIGE COc1ccc(C=NNC(=O)c2cc(O)ccc2O)cc1OCc1cccc(Br)c1 254845036 KIRBJVUGRBVZPT-UHFFFAOYSA-N 471.307 4.212 50 10 JIGE BrCc1cc(Br)c(OCCO[C@@H]2CCOC2)c(Br)c1 724963886 BXSLBMREXQWDQD-SNVBAGLBSA-N 458.972 4.291 50 10 JIGE Cc1ccc(NCC(=O)NNC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C4CC4)c23)cc1 728205597 RCXCXSVVFUMVOA-UHFFFAOYSA-N 459.481 4.088 50 10 JIGE Cc1cc(C=NNC(=O)C(=O)N[C@@H](C)c2ccccc2)c(C)n1-c1ccc(Br)cc1 1083944780 AUPQFARGVBOKMF-INIZCTEOSA-N 467.367 4.184 50 10 JIGE C#Cc1cccc(NC(=O)CN(C)C(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3F)c2C)c1 1527475369 FVWGCJRFXMDLRH-JCMHNJIXSA-N 454.505 4.219 50 10 JIGE C#CCOc1cccc(NC(=O)NNC(=O)c2ccc(COc3ccc(OCC)cc3)cc2)c1 1674518984 ORLSXKSPJDAOQO-UHFFFAOYSA-N 459.502 4.143 50 10 JIGE CCCc1nn(CC)c2c1[C@H](c1cc(Br)c(OCC)c(OC)c1)C(C#N)=C(N)O2 1865697699 ZSQWAFMMIWNRPN-QGZVFWFLSA-N 461.360 4.243 50 10 JIGE Cc1ccc(C)c(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(O)c([N+](=O)[O-])c2)c1 1865714717 OGVYPUQSHRXBIH-SFHVURJKSA-N 485.422 4.399 50 10 JIGE CCCSc1ccccc1C(=O)NNC(=O)[C@@H](C)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1865852317 RZWJHXRAXJEXTA-HUUCEWRRSA-N 484.647 4.107 50 10 JIGE CCCC[C@H](NC(=O)CCc1nc(O)c2ccccc2n1)C(=O)Nc1ccc(SC#N)cc1 1867260742 JEVQFDXQIMPENT-FQEVSTJZSA-N 463.563 4.155 50 10 JIGE CC(C)(C)OC(=O)NCCCN(C(=O)[C@@H]1C[C@H]1Br)c1cccc(Br)c1 2076173750 SXULLDOKHQEHFH-HUUCEWRRSA-N 476.209 4.480 50 10 JIGE CC[C@H](C)[C@H](Br)CNS(=O)(=O)c1cc(Br)ccc1Br 2090426295 VUXVMQJDGLDLDT-GZMMTYOYSA-N 478.044 4.300 50 10 JIGE O=S(=O)(N[C@@H]1CCC[C@@H]1CCBr)c1cc(Cl)c(Br)s1 2090622261 VQTHCJQMSIRFJU-VXNVDRBHSA-N 451.633 4.396 50 10 JIGE O=C(c1csc(Br)c1Br)N1CCC[C@H](OCCBr)C1 2113863355 FUPOCRYDKIJXPZ-QMMMGPOBSA-N 476.028 4.289 50 10 JIGE O=S(=O)(N1CCC(CCBr)CC1)N(Cc1ccccc1)Cc1cccs1 2123365164 GMBGWYVAORPXIP-UHFFFAOYSA-N 457.459 4.492 50 10 JIGE Cc1nc(C)n(CCO[C@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)c1C 2128021118 HLZPWGULZPMQLP-IBGZPJMESA-N 477.387 4.030 50 10 JIGE CCN1CCC[C@@H]([C@@H](Br)c2cc(Cl)ccc2I)S1(=O)=O 2145757734 GLIAYISLUNDBQT-STQMWFEESA-N 492.604 4.195 50 10 JIGE CCN1CCC[C@@H]([C@H](Cl)c2cc(Br)ccc2I)S1(=O)=O 2145767403 CXSOHIVPVPNFGO-QWHCGFSZSA-N 492.604 4.148 50 10 JIGE CCC[C@@H]1CN(C(=O)c2ccc(C)c(I)c2)C[C@H]1CBr 2232830198 ZPLUQEYXCXCKGC-ZIAGYGMSSA-N 450.158 4.483 50 10 JIGE COc1cc(C[C@H](Br)c2ccc(Cl)c(I)c2)ncn1 2268269666 GCLGRLURAWEJED-JTQLQIEISA-N 453.505 4.422 50 10 JIGE BrC[C@]12CCO[C@H]1CN(Cc1cccc(Br)c1Br)C2 2278945021 GLJNTVZNJFPJLZ-JSGCOSHPSA-N 454.000 4.197 50 10 JIGE O=C(N[C@H](CBr)[C@@H]1CC=CCC1)c1c(F)cccc1I 2282768811 ZSYDFSRMJCGLGQ-ZWNOBZJWSA-N 452.105 4.280 50 10 JIGE O=C(c1c(F)cccc1I)N1C[C@@H](Br)C2(CCCC2)C1 2282794565 LROUMXHJNVOQKC-GFCCVEGCSA-N 452.105 4.210 50 10 JIGE Cc1ncc2nc(CCl)n(-c3ccc(I)c(Br)c3)c2n1 2286619360 GSZPKEASQKTYFW-UHFFFAOYSA-N 463.504 4.230 50 10 JIGE O=C(CCCC(=O)Nc1ccc(Br)cc1)NN=Cc1ccc(O)c(Br)c1 2296647335 ZWNIRVCXZTVLBH-UHFFFAOYSA-N 483.160 4.176 50 10 JIGE C[C@@H]1[C@@H](Br)CCN(c2ncc(I)cc2Br)[C@@H]1C 2304181185 FYHUENDSSNDESO-XKSSXDPKSA-N 473.978 4.447 50 10 JIGE CCN1C[C@@H](Br)[C@@H](Cc2ccc(I)c(Br)c2)C1 2306216807 JZOBNPKYFROHDU-CMPLNLGQSA-N 472.990 4.311 50 10 JIGE COc1ccc(CCNC(=O)C(C#N)=CN(Cc2ccccc2)Cc2ccccc2)cc1OC 2324718671 OUVWSIXUZKZTDH-UHFFFAOYSA-N 455.558 4.472 50 10 JIGE CC(C)(C)OC(=O)N[C@H](C[S@](C)(=O)=NC[C@]1(CBr)CC1(F)F)C(C)(C)C 2351892173 LURIOMQRQFXEHW-AFPXWKTESA-N 461.413 4.444 50 10 JIGE O=C(COc1ccc2ccccc2c1Br)NNC(=S)NC(=O)CCC1CCCCC1 14029272 NDXKGADATNHAJN-UHFFFAOYSA-N 492.439 4.364 50 10 JIGE Cc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C(/C#N)C(=O)NCCc1ccccc1 33783534 OHALXGWIQWVVCT-FXBPSFAMSA-N 450.498 4.061 50 10 JIGE Cc1ccc2c(O)nc(/C(C#N)=C/c3cc([N+](=O)[O-])ccc3OCC(=O)Nc3nccs3)nc2c1 35519526 ICSCOMCYFMVVBV-OQLLNIDSSA-N 488.485 4.090 50 10 JIGE CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)cc1 38700680 YHDKGSIWOHWWHW-BJKOFHAPSA-N 472.522 4.372 50 10 JIGE COCCCNC(=O)c1oc2c(c1C)/C(=N/NC(=O)Cc1coc3cc(C)cc(C)c13)CCC2 40826835 QXTAJXAQJIITNR-TURZUDJPSA-N 465.550 4.117 50 10 JIGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccccc2CCc2ccccc2)cc1 40965946 ZYIBLWHMFWSJHO-LYBHJNIJSA-N 454.526 4.361 50 10 JIGE Cc1cc(I)ccc1NC(=O)CCC(=O)N/N=C/c1c(F)cccc1Cl 59381900 ASWGMUSNZMJARQ-LSHDLFTRSA-N 487.700 4.261 50 10 JIGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1ccc(C)c([N+](=O)[O-])c1 206676416 KTEGAIMMMMUQEI-ODLFYWEKSA-N 475.457 4.338 50 10 JIGE CC(=O)N1CCN(c2ccccc2CNC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(F)cc3)c2C)CC1 725742936 HLDHVFITCNEMCT-KOEQRZSOSA-N 499.590 4.125 50 10 JIGE N#CCCn1cc(/C=C(\C#N)C(=O)Nc2nnc(Cc3ccccc3)s2)c(-c2ccccc2)n1 918679537 FLDFYMCFFBBMEY-HMMYKYKNSA-N 465.542 4.452 50 10 JIGE C#CCOc1c(Cl)cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1OCC 1083990412 ZLRVXXQSEZJIOY-NRFANRHFSA-N 458.942 4.113 50 10 JIGE C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F 1087669518 KRBPZFUDFIYREM-UVBJJODRSA-N 471.273 4.186 50 10 JIGE COC(=O)c1ccc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2F)CCC3)cc1 1772744414 VFGFFJYKNBAIQA-UHFFFAOYSA-N 464.449 4.203 50 10 JIGE Cc1c(C(=O)Nc2ccc(Cl)cn2)oc2c1C(=NNC(=O)COc1ccccc1)CCC2 1772749134 HRRHDBQFCKDENP-UHFFFAOYSA-N 452.898 4.124 50 10 JIGE CCOc1cc(C(=O)NNC(=O)c2ccc(-c3ccc(F)cc3)nc2C)cc(OCC)c1OCC 1865759794 SLLURHUBICHDPG-UHFFFAOYSA-N 481.524 4.467 50 10 JIGE Cc1c(O)cccc1Cn1nc(CBr)c(I)c1C(F)(F)F 2079242951 IYXOIGSZMNKFNH-UHFFFAOYSA-N 475.046 4.464 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1C[C@@H]2C[C@H](C[C@H]2Br)C1 2107292593 KIVFCBHHLCOSIU-DVVUODLYSA-N 454.533 4.190 50 10 JIGE O=S(=O)(C[C@H](Br)c1cccc(Br)c1Br)N1CCCCC1 2148762672 XWSGVLXTUBWXPV-LBPRGKRZSA-N 490.055 4.463 50 10 JIGE O=C(c1cc(I)ccc1F)N1C[C@H]2C[C@@H](Br)CC[C@H]2C1 2169668272 ODXUKLHYKFUEMY-AXFHLTTASA-N 452.105 4.066 50 10 JIGE O=S(=O)(c1cc(CBr)cs1)N1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 2179815763 GJLGAUDWNRPTJB-RTBURBONSA-N 469.470 4.318 50 10 JIGE CCc1ccc(CBr)cc1S(=O)(=O)N1CCCN(Cc2ccccc2)CC1 2179863412 LLNMXAKVZDKYTA-UHFFFAOYSA-N 451.430 4.041 50 10 JIGE C[C@]1(Br)CN(S(=O)(=O)c2cc(CCl)sc2Br)C[C@@]1(C)F 2205654892 KRBLXRHFYKVKGN-WDEREUQCSA-N 469.623 4.136 50 10 JIGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)C=Cc2ccccc2Cl)cc1 2313621511 YROHRGULVABGFD-UHFFFAOYSA-N 492.988 4.250 50 10 JIGE Cn1cc(I)c(COc2cc(Br)ccc2CBr)n1 2319227966 GINRTLAFGFSENP-UHFFFAOYSA-N 485.945 4.261 50 10 JIGE COc1cc(C=NNC(=O)c2cccn(Cc3cccc(Cl)c3)c2=O)ccc1OC(C)C 2323652145 RDWLKFUDYDFSIQ-UHFFFAOYSA-N 453.926 4.110 50 10 JIGE C=CC[C@H](Cl)[C@H]1CCN1C(=O)c1ccc(Br)cc1I 2335813388 HUGJFSDIUDDTPO-WCQYABFASA-N 454.533 4.452 50 10 JIGE O=C(N/N=C/c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1)c1cncc(Br)c1 3084352 NXGVLZVLFRXGGW-LSFURLLWSA-N 486.238 4.217 50 10 JIGE O=C(COc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)C(c1ccccc1)c1ccccc1 12502692 XWGJYUZYLIUAIC-UHFFFAOYSA-N 488.396 4.226 50 10 JIGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1ccc(Cl)cc1Cl 13980509 ISNVQUPREOCBAY-LBPRGKRZSA-N 454.379 4.221 50 10 JIGE O=C(Cc1ccccc1)NNc1ncnc(Nc2cc(C(F)(F)F)ccc2Cl)c1[N+](=O)[O-] 40583299 BNIVKCLYJGUIBR-UHFFFAOYSA-N 466.807 4.486 50 10 JIGE CCC(C)(C)C(=O)O[C@H]1C[C@](C)(OO)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21 77300854 FOGQBCWWWLNSOK-ZEUMIXTGSA-N 450.572 4.198 50 10 JIGE in-vitro C=CCNC(=O)/C(C#N)=C1\S[C@H](Cc2cccc(C(F)(F)F)c2)C(=O)N1c1ccc(OC)cc1 101241727 JKULEWKLIPHGLF-LBMWUGKUSA-N 487.503 4.442 50 10 JIGE CCCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc(/C=C(\C#N)C(=O)OC)cc2OC)cc1 206271586 FTOCIIYSJGMGSP-GYICUJRQSA-N 460.486 4.467 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N[C@@H](C)C[C@H](C)Br)cc1Br 228247308 QVTPJTQGNXWSAD-IUCAKERBSA-N 478.044 4.360 50 10 JIGE CC1(C)CN(S(=O)(=O)c2cc(Cl)c(Br)s2)CC[C@@H]1Br 306097418 ODDVMHAGAVREQO-QMMMGPOBSA-N 451.633 4.348 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N(CCBr)CC1CC1 721511208 SMSAGBCNWIPUIC-UHFFFAOYSA-N 486.973 4.301 50 10 JIGE COc1cc(C=NNC(=O)C(=O)NCc2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 1083928629 SJUVJYUPEBYVEL-UHFFFAOYSA-N 486.355 4.348 50 10 JIGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3ccc(Cl)cc3)S(C)(=O)=O)c2C)cc1C 1083945453 JJUNUIBFYUSCMR-UHFFFAOYSA-N 487.025 4.281 50 10 JIGE C=CCOc1c(I)cc(C=NNC(=O)c2ccc(OCC)cc2)cc1OC 1084044994 GWIHZJBNKKPILD-UHFFFAOYSA-N 480.302 4.027 50 10 JIGE C#CCOc1c(Cl)cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1Br 1084048176 CLXALPWSIQUEHI-HXUWFJFHSA-N 493.785 4.477 50 10 JIGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2ccccc2Cl)cc1)Nc1cccc(Cl)c1 1084405882 HAVJGBMEEAYIRU-UHFFFAOYSA-N 485.327 4.100 50 10 JIGE CC(C)Oc1cccc(/C=N/NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1 1860773566 AOTGXELYIYESOF-JXVQETHISA-N 452.580 4.081 50 10 JIGE COc1ccc(-c2ccc(C(=O)NNC(=O)CCCOc3cccc(C)c3)c(C)n2)cc1OC 1865759256 QFJQGCBOPDTXFM-UHFFFAOYSA-N 463.534 4.003 50 10 JIGE CCOc1cc(C=CC(=O)NNC(=O)c2ccccc2F)ccc1OCCOc1ccc(F)cc1 2040430057 LPIYHOGUYXKIFJ-UHFFFAOYSA-N 482.483 4.296 50 10 JIGE N#CC(C(=O)COC(=O)CSc1ccc2ccccc2c1)=C(c1ccc(F)cc1)N1CCOCC1 2040469808 OEFZYMIQWRZZRE-UHFFFAOYSA-N 490.556 4.450 50 10 JIGE O=C(CBr)c1c(OC(F)(F)F)ccc(OC(F)F)c1I 2060367359 IGHQGRBRANHDPS-UHFFFAOYSA-N 474.945 4.369 50 10 JIGE CCCN1CC[C@H]([C@H](Cl)c2scc(Br)c2Br)S1(=O)=O 2089528667 VBPKEIUNVAGKBP-SCZZXKLOSA-N 451.633 4.367 50 10 JIGE CCCN1CC[C@H]([C@H](Br)c2cc(Cl)ccc2I)S1(=O)=O 2145769410 PLTYEPYBUNVOHI-CHWSQXEVSA-N 492.604 4.195 50 10 JIGE CN(Cc1ccccc1)C1CCN(S(=O)(=O)Cc2ccc(CBr)cc2)CC1 2179774717 HFRYOIMSOPOOGE-UHFFFAOYSA-N 451.430 4.008 50 10 JIGE CC[C@H]1CN(S(=O)(=O)c2ccc(F)c(CBr)c2)CCN1Cc1ccccc1 2179786187 WWWAHMGLHHSERQ-SFHVURJKSA-N 455.393 4.006 50 10 JIGE Cc1cccc(C(=O)N2CC[C@H](C(F)(F)CBr)C2)c1I 2197761921 FZKZBCQOJQOUSW-JTQLQIEISA-N 458.084 4.092 50 10 JIGE CCCOc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(C#N)cc2)cc1 2296654018 UJCVVHWCSXFALA-UHFFFAOYSA-N 452.514 4.268 50 10 JIGE O=C(NN=Cc1ccc(Cl)c([N+](=O)[O-])c1)C(=Cc1cccs1)NC(=O)c1ccccc1 2297321935 XNBJBQOQQBDPFT-UHFFFAOYSA-N 454.895 4.231 50 10 JIGE CN(CC(C)(C)CI)C1C[C@@H]2C[C@H](C1)CN(C(=O)OC(C)(C)C)C2 2306814823 FYKMZWNDJFCWJV-XYPWUTKMSA-N 450.405 4.415 50 10 JIGE COc1ccccc1C=C(C#N)C(=O)Oc1ccc2cc(C(=O)NCCc3ccccc3)c(=O)oc2c1 2314750886 BFXJOSQZUNQYDQ-UHFFFAOYSA-N 494.503 4.287 50 10 JIGE CO[C@@H]1C[C@H](Br)CN(Cc2ccc(I)c(Br)c2)C1 2325225066 BUAUYZRTFYVVOM-WDEREUQCSA-N 488.989 4.038 50 10 JIGE Cc1sc2ncn(CC(=O)NN=Cc3ccc(Br)cc3F)c(=O)c2c1-c1ccccc1 2325904145 JFPUAHZUIALJOV-UHFFFAOYSA-N 499.365 4.485 50 10 JIGE C[C@H]1CN(C(=O)c2ccc(Cl)cc2I)C[C@@H](C)[C@@H]1Br 2340056868 HAVLQJBSMYJTFG-WOFXILAISA-N 456.549 4.436 50 10 JIGE Clc1ccc(I)cc1CN1C[C@@H](CBr)OCC12CC2 2352413116 CYTBIGVWFLQTRJ-GFCCVEGCSA-N 456.549 4.073 50 10 JIGE C[C@]1(NC(=O)c2csc(I)c2)C[C@H]2CC[C@H]1C[C@H]2Br 2352782246 AMJYQBHWGZORHZ-KMUQISDUSA-N 454.171 4.425 50 10 JIGE Cc1cc(OCC(=O)NNC(=O)COc2ccc(C(C)C)cc2Br)ccc1Cl 12580216 BYFXOMKTRNIXGO-UHFFFAOYSA-N 469.763 4.140 50 10 JIGE CC(C)Oc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(C(C)(C)C)cc2)cc1Br 14660456 UPFICEINJIDFKW-UHFFFAOYSA-N 492.439 4.483 50 10 JIGE N#CC1=C(N)Oc2cc(OC(=O)c3cc4ccccc4oc3=O)ccc2[C@@H]1c1ccc([N+](=O)[O-])cc1 38688203 UFKJPCLHYKCNJJ-QHCPKHFHSA-N 481.420 4.139 50 10 JIGE O=C(COc1ccccc1)NNc1ncnc(N(Cc2ccccc2)Cc2ccccc2)c1[N+](=O)[O-] 40607357 YGXUEQCJLNMIEP-UHFFFAOYSA-N 484.516 4.114 50 10 JIGE Cc1ccccc1Nc1ncnc(NNC(=O)COc2ccc(Cl)cc2Cl)c1[N+](=O)[O-] 40648048 ZXRUNFOPKGWMAA-UHFFFAOYSA-N 463.281 4.266 50 10 JIGE O=C(NNc1ncnc(NCc2ccccc2Cl)c1[N+](=O)[O-])c1ccc(Br)cc1 40657922 SEYSMWXHIPDSIX-UHFFFAOYSA-N 477.706 4.170 50 10 JIGE COc1cc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccc(C)cc2)C(=O)CCl)ccc1O 97914629 HKIAGNNHKYKZNT-DEOSSOPVSA-N 458.986 4.467 50 10 JIGE COc1ccc([C@@H](C(=O)NC2CCC(C)CC2)N(Cc2ccco2)C(=O)CCl)cc1OC 97914836 RHIWALVKAAERFY-KOBHVQJXSA-N 462.974 4.300 50 10 JIGE CC(C)(C)c1ccc(C(=O)C(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 109125649 LLHYORFMEOIMLE-UHFFFAOYSA-N 451.350 4.480 50 10 JIGE CCCCCOc1ccc(/C=N\NC(=O)CCc2nc3ccccc3nc2O)cc1OCC 169887157 QLGZCELNCJYVGN-ONUIUJJFSA-N 450.539 4.386 50 10 JIGE C/C(=C/C#N)N1C(=O)c2ccc(C(=O)Nc3ccc(-c4nc5ccccc5c(=O)o4)cc3)cc2C1=O 207418614 UOFRYINWVWANSQ-QINSGFPZSA-N 476.448 4.131 50 10 JIGE C[C@@H]1Cc2cc(/C=C(\C#N)C(=O)Nc3sc4c(c3C(=O)NC[C@@H]3CCCO3)CCCC4)ccc2O1 214202864 LQKWOKJPDFUYIM-GARHRKRASA-N 491.613 4.405 50 10 JIGE CC(=NNC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1C)c1ccc2ccccc2c1 254506841 ISFJVKCYFDIQNB-UHFFFAOYSA-N 460.519 4.176 50 10 JIGE O=S(=O)(N[C@@H](CBr)C1CCCC1)c1cc(Cl)c(Br)s1 386256927 LZBORTZFBNGIPK-VIFPVBQESA-N 451.633 4.396 50 10 JIGE Cc1nnc(COc2c(Br)cc(CBr)cc2Br)n1C 689501582 FMXLGRYUENMKOE-UHFFFAOYSA-N 453.960 4.122 50 10 JIGE C[C@@H]1CCc2sc(C(=O)NNC(=O)N3CCC([C@@H]4C(=O)Nc5cc(Cl)ccc54)CC3)cc2C1 727473739 RJFMGBIRGYVLRS-ASSNKEHSSA-N 487.025 4.329 50 10 JIGE COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)OCC(=O)c3ccc4c(c3)NC(=O)[C@@H](C)O4)c2C)cc1 728086035 JVYWQBAYSGLQQW-AGKWGAAGSA-N 499.523 4.155 50 10 JIGE CCNC(=O)COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(F)cc3)c2C)cc1 914527232 HWSZGTQUFIRMLV-ZHZULCJRSA-N 460.509 4.294 50 10 JIGE CCOC(=O)CC(C)=NNC(=O)COc1ccc2cc(Br)ccc2c1Br 1084061327 HVTJUVXQLWLADU-UHFFFAOYSA-N 486.160 4.189 50 10 JIGE CC(C)=C1[C@H]2C=C[C@H]1[C@@H](C(=O)NNC(=O)CCOc1cc(Cl)c(Cl)cc1Cl)[C@H]2C(=O)O 1088733055 KZWCGSHLCKMHII-JJRACOLNSA-N 487.767 4.032 50 10 JIGE Cc1ccc(I)c(NS(=O)(=O)c2ccc(CBr)cc2)c1 1260508101 DBFKBBHYIVVPFL-UHFFFAOYSA-N 466.138 4.295 50 10 JIGE COc1ccc(CCNC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2C)CCC3)cc1OC 1772743780 KUTQHXCIBTUQRN-UHFFFAOYSA-N 489.572 4.357 50 10 JIGE Cc1c(C(=O)NNC(=O)c2ccncc2)oc2c1C(=NNc1cccc(C(F)(F)F)c1)CCC2 1772751036 UASVZNWQRPUANX-UHFFFAOYSA-N 471.439 4.229 50 10 JIGE COc1cc(/C=C2\Oc3cc(OC(=O)C(Cl)Cl)cc(C)c3C2=O)cc(OC)c1OC 1871386229 KRLLLQLJGGEKFQ-NSIKDUERSA-N 453.274 4.346 50 10 JIGE C[C@H](Br)[C@H](NC(=O)c1cc(Cl)ccc1I)C(F)(F)F 1882650676 DSWLAGYHVFDIRX-CDUCUWFYSA-N 470.454 4.389 50 10 JIGE CC(C)(C)OC(=O)N[C@H](CBr)[C@@H]1CN(C(=O)OC(C)(C)C)[C@]2(CCCOC2)C1 1885098206 XAZZWJALRQPJQU-BXTJHSDWSA-N 463.413 4.081 50 10 JIGE COc1cc(Br)cc(C[C@H](Br)CN2C(=O)c3ccccc3C2=O)c1 1905372645 XTHXHKNQYCOCLC-ZDUSSCGKSA-N 453.130 4.060 50 10 JIGE O=C(N[C@H]1CC[C@H](Br)C1)c1ccc(I)c(Br)c1 2008598793 RWBHDULUXUPDAB-IUCAKERBSA-N 472.946 4.100 50 10 JIGE C[C@H]1CN(C(=O)c2ccc(Br)cc2I)C[C@H]1CBr 2086139326 NAMRPAOVHNIKJB-DTWKUNHWSA-N 486.973 4.157 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@@H]2C[C@@H](CCl)[C@@H]2C1 2117681151 KYQHCJXYGZZXQR-AUTRQRHGSA-N 454.533 4.001 50 10 JIGE O=C(N[C@H](CCl)c1cscn1)c1ccc(I)c(Br)c1 2119059972 JOIVWPFUCMLPBP-SNVBAGLBSA-N 471.545 4.220 50 10 JIGE COc1ccc(Br)c(C(=O)NCCSSCCNC(=O)OC(C)(C)C)c1 2125298961 DOUUFKKEVXLOFB-UHFFFAOYSA-N 465.435 4.094 50 10 JIGE Cc1csc(CBr)c1S(=O)(=O)N1C[C@H]2CN(Cc3ccccc3)C[C@]2(C)C1 2179815377 DAMWNELGNLCYGB-YLJYHZDGSA-N 469.470 4.094 50 10 JIGE O=C(N[C@H](CBr)C[C@H]1CCOC1)c1c(Br)cccc1Br 2195496014 QJSSWPPPVDYAIV-ZJUUUORDSA-N 469.999 4.132 50 10 JIGE CC(C)[C@@H](CBr)CN1CCN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 2211438467 RDTQOJBQZIWNAF-SFHVURJKSA-N 492.499 4.443 50 10 JIGE C=CCOc1c(I)cc(C=C(C#N)C(=O)NCc2ccccc2)cc1OCC 2313518521 HOQKJOPAYLYTMS-UHFFFAOYSA-N 488.325 4.478 50 10 JIGE CC(C=Cc1ccccc1)=NNC(=O)CCCSc1nnc(-c2ccc(Br)cc2)n1N 2313588990 IVLGLTJPTNNUQS-UHFFFAOYSA-N 499.438 4.499 50 10 JIGE COc1ccc(-c2csc(C(C#N)=C(O)CCN3C(=O)c4ccccc4C3=O)n2)c(OC)c1OC 2331412528 GCXNUMFCDTWTEF-UHFFFAOYSA-N 491.525 4.315 50 10 JIGE Cc1cc(Br)cc(C(=O)NCC(F)(F)C(F)(F)CI)c1 2361680611 ZRKLTWIXXPKRQE-UHFFFAOYSA-N 468.026 4.193 50 10 JIGE O=C(CNC(=O)C(c1ccccc1)c1ccccc1)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 3079555 ZJHUMGQUQNCTIU-STBIYBPSSA-N 482.496 4.253 50 10 JIGE CCOc1cc(C(=O)N/N=C/c2cc(Br)ccc2O)cc(OCC)c1OCC 10039779 ORPMXPYICXCGBA-WSDLNYQXSA-N 451.317 4.115 50 10 JIGE CC[C@H](Oc1ccccc1)C(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 14024570 QDFKPSSZFWLEQO-SFHVURJKSA-N 463.372 4.130 50 10 JIGE COc1ccc([C@@H](C)N/C=C(/C#N)C(=O)Nc2ccc(I)cc2C)cc1 217253827 REZSUXOWEZLXDY-IZCBMXNHSA-N 461.303 4.305 50 10 JIGE COc1ccc(C=NNC(=O)c2cc(Br)ccc2OC)cc1OC(=O)c1ccccc1 252627472 RVBVPGJZAMUNID-UHFFFAOYSA-N 483.318 4.449 50 10 JIGE C=CCOc1ccc(C(=O)NN=Cc2ccc(OC(=O)c3ccc(OC)cc3)c(OC)c2)cc1 254291458 BUWVRWXWQGCBKU-UHFFFAOYSA-N 460.486 4.252 50 10 JIGE COc1ccc(/C=C\C(=O)Oc2ccc(C=NNC(=O)COc3ccc(C)c(C)c3)cc2)cc1 254404826 SPPXZQRALXLGOA-KTBLLDDASA-N 458.514 4.460 50 10 JIGE COc1ccc(S(=O)(=O)N(CC(=O)NN=C(C)c2ccc(C)cc2)c2ccc(C)cc2)cc1OC 254578834 WTZNETYCRKBBNO-UHFFFAOYSA-N 495.601 4.056 50 10 JIGE CC(C)N(CCBr)C(=O)c1ccc(I)c(Br)c1 721603597 MXEYNNMYYADVLV-UHFFFAOYSA-N 474.962 4.299 50 10 JIGE COc1ccc(N2CCC(NC(=O)/C(C#N)=C/c3cn(CCC#N)nc3-c3ccccc3)CC2)cc1 726563038 BJSHVLHZRIDCGF-RELWKKBWSA-N 480.572 4.165 50 10 JIGE Cc1cc(C=NNC(=O)c2ccccc2Br)c(C)n1-c1ccc(CC(=O)O)cc1 1084199463 PFGRHVZAFHVPMS-UHFFFAOYSA-N 454.324 4.248 50 10 JIGE CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(CCl)c2)CCN1C(=O)OC(C)(C)C 1640781478 YFLRKJXFCBJGQG-UHFFFAOYSA-N 453.967 4.270 50 10 JIGE CCCN1C(=O)C(=NNC(=O)CCCCCNC(=O)c2ccccc2Cl)c2cc(C)ccc21 1772720340 LGJOVOXWFKJIKH-UHFFFAOYSA-N 468.985 4.216 50 10 JIGE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(OC)c(OC)c1)C(C#N)=C(N)O2 1865708089 NWAZTNWVHXNKQR-OAQYLSRUSA-N 450.926 4.383 50 10 JIGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1cc(OC)c(O)c(OC)c1)C(C#N)=C(N)O2 1865715126 WUVZDGHKYBKKJW-NRFANRHFSA-N 480.952 4.478 50 10 JIGE COc1ccc(-c2csc(CCC(=O)NCC(=O)Nc3ccc(SC#N)cc3)n2)cc1 1868149600 FDIPHNBODLFTEY-UHFFFAOYSA-N 452.561 4.079 50 10 JIGE COC(=O)c1ccccc1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1=O 1872747262 VDIDDIIOEYXCOD-VGLIXDPASA-N 490.497 4.351 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CCN(C(=O)OC(C)(C)C)C12CCC2 1985351528 GVTJZCIGFHCUDE-INIZCTEOSA-N 461.694 4.414 50 10 JIGE Brc1cc(I)cnc1N1CCC[C@@H](Br)CC1 1988531621 VIKOOOKVQLYNHW-MRVPVSSYSA-N 459.951 4.203 50 10 JIGE O=C(NCCC(F)(F)CBr)c1scc(Br)c1Br 2012615772 OAOBEHAJNCIIKR-UHFFFAOYSA-N 455.944 4.423 50 10 JIGE CCN(C[C@@](C)(CI)OC[C@H]1CC12CCOCC2)C(=O)OC(C)(C)C 2077642402 BBDIODWISHHQSW-CRAIPNDOSA-N 467.388 4.270 50 10 JIGE C[C@@H]1CCN(C(=O)c2ccc(Br)cc2I)[C@@H]1CBr 2086146494 ALIOLSGFNTYWKN-PRHODGIISA-N 486.973 4.299 50 10 JIGE Cn1ncc([C@H](Br)c2cc(Br)c3c(c2)CCO3)c1Br 2090460436 JOEYCPFSCUHEBT-LLVKDONJSA-N 450.956 4.364 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CC[C@@H]2[C@H](CBr)[C@@H]2C1 2093138394 SZYCNDYRGYEEOC-ADEWGFFLSA-N 498.984 4.157 50 10 JIGE COc1c(Br)cc(C)cc1[C@@H](Cl)c1cnn(C)c1I 2138995748 AYRPCUSHTZPRGV-LLVKDONJSA-N 455.521 4.432 50 10 JIGE C[C@H]1CCN(Cc2ccccc2)CCN1S(=O)(=O)c1cc(CCl)ccc1Br 2153288836 GYEXWPUKBOSOBK-INIZCTEOSA-N 471.848 4.473 50 10 JIGE C[C@H]1CN(Cc2ccccc2)CCCN1S(=O)(=O)c1cc(F)ccc1CBr 2179789642 TVGOKLVJFNJHQT-INIZCTEOSA-N 455.393 4.006 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1CC[C@H](Br)[C@H]1C1CC1 2187153270 HSPNFAHQICAYRJ-WCQYABFASA-N 488.039 4.148 50 10 JIGE CCn1cc(S(=O)(=O)N2CC[C@]2(C)CCOCc2ccccc2)cc1CBr 2197753614 NTERZGFKOBGUPC-HXUWFJFHSA-N 455.418 4.163 50 10 JIGE CC[C@H]1[C@@H](Br)CCN1C(=O)c1cc(I)ccc1Br 2260414978 MJMJNISTMARJRC-RYUDHWBXSA-N 486.973 4.442 50 10 JIGE O=C(c1c(F)cccc1I)N1CC[C@]2(CCC[C@H]2Br)C1 2282779947 IDVTUDZNVTVXBM-IUODEOHRSA-N 452.105 4.210 50 10 JIGE CC(C)(C)CCN(CCBr)C(=O)Cc1ccccc1I 2289877322 VCSYALBKRPRVJY-UHFFFAOYSA-N 452.174 4.493 50 10 JIGE COC(=O)c1cc(NC=C(C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc(C(=O)OC)c1 2296049213 JVFACSVUXUPFMK-UHFFFAOYSA-N 479.514 4.377 50 10 JIGE O=C(NCCCCCI)c1ccc(Cl)cc1I 2301791070 ACFMJKOCLTZMGK-UHFFFAOYSA-N 477.511 4.280 50 10 JIGE FC1(F)CN(Cc2ccc(I)c(Br)c2)C[C@@H]1Br 2306223221 CDYSMFHNBIIVGU-JTQLQIEISA-N 480.916 4.268 50 10 JIGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(C(=O)OC)cc2)sc2c1CC[C@H](C)C2 2314571773 LTEUASDGTSPDKV-AWEZNQCLSA-N 452.532 4.382 50 10 JIGE O=S(=O)(N[C@@H](CCBr)COCc1ccccc1)c1ccc(F)c(Br)c1 2320405748 FHCSJYBPIYYBMK-AWEZNQCLSA-N 495.208 4.237 50 10 JIGE BrCC[C@H]1CN(Cc2ccc(I)c(Br)c2)CCO1 2325228379 CQLMCNWXCDKKBA-NSHDSACASA-N 488.989 4.040 50 10 JIGE COc1ccc(-c2csc(C(C#N)=C(O)CNS(=O)(=O)c3ccc(C)cc3)n2)cc1F 2331337489 DFSXCZYQPGIBEB-UHFFFAOYSA-N 459.524 4.037 50 10 JIGE N#CC(=C(O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1nc(-c2c[nH]c3ccccc23)cs1 2331349108 QVXQRVGUBFSAJP-UHFFFAOYSA-N 471.454 4.288 50 10 JIGE COC[C@]1(CBr)C=CCN1Cc1cc(I)ccc1Cl 2352416927 BNAJXDPQUZOJBR-CQSZACIVSA-N 456.549 4.097 50 10 JIGE Clc1ccc(I)cc1CN1CC2(CC[C@@H](CBr)O2)C1 2352417060 DLROXMKTROJXEE-LBPRGKRZSA-N 456.549 4.073 50 10 JIGE COc1ccc2ccccc2c1/C=N\NC(=O)CCC(=O)N/N=C\c1c(OC)ccc2ccccc12 12575132 VFJBATCIIWSBDI-LZUTUTKMSA-N 482.540 4.391 50 10 JIGE CCOc1cc(/C=N/NC(=O)C2CCCCC2)ccc1OC(=O)c1ccc(OC)c(OC)c1 33959192 JIHGWWMXUQYFDF-WGOQTCKBSA-N 454.523 4.352 50 10 JIGE COc1ccc(C(=O)Oc2ccc(/C=N\NC(=O)CCc3ccccc3)cc2OC)cc1OC 34987948 HICVABPWCOIRCH-PKAZHMFMSA-N 462.502 4.015 50 10 JIGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OC)ccc32)c(OC)c1 38656752 MBXMCEUWZADMDW-XMMPIXPASA-N 458.470 4.150 50 10 JIGE O=C(NNc1ncnc(Nc2nc3ccccc3s2)c1[N+](=O)[O-])c1ccccc1Br 40645363 UBESCGYOSPMEHA-UHFFFAOYSA-N 486.311 4.258 50 10 JIGE CCCCCOc1c(OC)cc(/C=N\NC(=O)c2ccc3nc(S)[nH]c3c2)cc1[N+](=O)[O-] 169917501 CWQJIOVJJSHIKO-UUYOSTAYSA-N 457.512 4.101 50 10 JIGE CCOC(=O)c1nn(-c2ccccc2)c2c1CN(C(=O)N[C@H]1CC(C)(C)C[C@](C)(CN=C=O)C1)CC2 170290579 KNYKETOCFXFGGJ-UZTOHYMASA-N 493.608 4.038 50 10 JIGE CC(CC(=O)Nc1ccc(OCc2ccccc2)cc1)=NNC(=O)C(=O)Nc1ccccc1C 254394323 NSJQYGQVEOVWRI-UHFFFAOYSA-N 458.518 4.033 50 10 JIGE COC1(CBr)CCN(C(=O)c2cc(Br)c(Br)s2)CC1 401904079 GFMUIJYLULUSRP-UHFFFAOYSA-N 476.028 4.289 50 10 JIGE CN(C[C@H]1CCC[C@@H]1Br)S(=O)(=O)c1cc(Cl)c(Br)s1 689297938 SSRPESPGCAFHOB-SFYZADRCSA-N 451.633 4.348 50 10 JIGE O=C(NC[C@H]1CCCO1)[C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725237323 DCXAIHGNNXNNOY-CRAIPNDOSA-N 460.905 4.375 50 10 JIGE O=C(NNC(=O)c1cc(Br)cnc1Cl)c1ccccc1OCc1ccc(F)cc1 725877485 CJLXRJSCQDBGAC-UHFFFAOYSA-N 478.705 4.290 50 10 JIGE COC(=O)[C@@H](NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(OC)cc2)c1C)c1ccc(OC)cc1 729656546 GSUOYDZBJWXUBC-IJKLPWTBSA-N 473.529 4.049 50 10 JIGE N#CCCn1cc(/C=C(/C#N)C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)c(-c2ccccc2)n1 742484312 DQENLXABZHUAOT-PGOXGVTESA-N 478.600 4.399 50 10 JIGE CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)NN=Cc2ccccc2F)cc1 1084243938 AMCFUBGXGZZJHZ-UHFFFAOYSA-N 459.930 4.209 50 10 JIGE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNc1cc([N+](=O)[O-])ccc1Br 1306838478 DJJDYZACZGRUMG-CQSZACIVSA-N 457.325 4.050 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Br)cc2)[C@H]1c1ccc(O)c(O)c1 1865680224 COKSVMREEPRSHI-HNNXBMFYSA-N 493.239 4.283 50 10 JIGE CC1(C)CN(C(=O)c2ccc(I)c(Cl)c2)C[C@H]1CBr 1914532322 UNGNTHIXLDGIQY-SNVBAGLBSA-N 456.549 4.438 50 10 JIGE O=C(N[C@@H]1CC[C@H](CBr)C1)c1ccc(Br)cc1I 2086139252 MILKDZHQHYMZRV-WCBMZHEXSA-N 486.973 4.347 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CC[C@H](Br)[C@H]2CC[C@@H]21 2142278365 BQOMMHJVVZDRSC-CDMKHQONSA-N 498.984 4.442 50 10 JIGE O=C(N[C@@H]1C[C@H]2C[C@H]1C[C@@H]2Cl)c1ccc(Br)cc1I 2142286322 ZANXYKHVPDGFGU-AOOGTALZSA-N 454.533 4.189 50 10 JIGE CC(C)(C)OC(=O)N[C@H]1CCCCC[C@@H]1NS(=O)(=O)c1ccc(CBr)cc1 2162593324 DCTPHBHAUCOCOO-IRXDYDNUSA-N 461.422 4.086 50 10 JIGE Cc1nn(CCCBr)c(C)c1S(=O)(=O)N(Cc1ccccc1)C1CCCC1 2179825274 FPYSPXUNOSSNDB-UHFFFAOYSA-N 454.434 4.418 50 10 JIGE Clc1ccc(I)c(CC23COC(CI)(C2)C3)c1 2216253508 SJJMTOPJYGUXEN-UHFFFAOYSA-N 474.507 4.471 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1CC2(CC(CBr)C2)C1 2268339576 HXAJVTMCYKJTBT-UHFFFAOYSA-N 454.533 4.192 50 10 JIGE N#CC(C(=O)NCCc1ccccc1)=C1N=C(NC(=O)c2ccc(Cl)cc2)c2ccccc21 2296270494 JPGXZVMQBYAPLX-UHFFFAOYSA-N 454.917 4.124 50 10 JIGE COc1cc(C=C(C#N)C(=O)Nc2c(C)cccc2C)cc(I)c1OC(C)=O 2297551656 XKAFOWSGQDTRDN-UHFFFAOYSA-N 490.297 4.388 50 10 JIGE COC(=O)c1ccc(-n2c(C)cc(C=C(C#N)C(=O)N3CCN(c4ccccc4)CC3)c2C)cc1 2313545819 HYBCYWFASDZUDF-UHFFFAOYSA-N 468.557 4.137 50 10 JIGE O=C(N[C@H]1C[C@@H]2C[C@H]1C[C@H]2Br)c1ccc(I)c(Cl)c1 2330898945 CLZZIENLLALSNP-XHSYRHOGSA-N 454.533 4.236 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@H]2CC[C@H]1C[C@H]2Cl 2337071286 PTHKKMIKCMIASP-DFAYQTQMSA-N 454.533 4.286 50 10 JIGE O=C(NCC(F)(F)C(F)(F)CI)c1ccc(Br)c(F)c1 2361679531 NHGORGSVXZNHSN-UHFFFAOYSA-N 471.989 4.024 50 10 JIGE CC(C)(CBr)[C@H]1CCCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364212855 AYVSTMBKQFMGRE-LJQANCHMSA-N 499.471 4.058 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1CC[C@H](CBr)C(F)(F)C1 2365593252 SKDLHQNABVJMTH-MRVPVSSYSA-N 478.502 4.437 50 10 JIGE C[C@@H]1CCc2c(sc3ncn(CC(=O)N/N=C/c4cccc(OCc5ccccc5)c4)c(=O)c23)C1 1966607 OVANXRYBWAIAFB-AGUNFTMMSA-N 486.597 4.312 50 10 JIGE Cc1cccc(C)c1O[C@@H](C)C(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 14639373 BBALMPYPDGBSTG-INIZCTEOSA-N 477.399 4.357 50 10 JIGE O=C(Cc1cccs1)NN=Cc1ccc(OC(=O)c2ccccc2I)cc1 16157845 TXMSEBIJYSZNNK-UHFFFAOYSA-N 490.322 4.265 50 10 JIGE COc1ccc(N2C(C)=CS/C2=C(\C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)cc1 34847803 CWYHZUQCOIOECE-ZNTNEXAZSA-N 472.574 4.419 50 10 JIGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Br)cc3)ccc2[C@@H]1c1ccco1 38657305 XTYPWFVOEKQSSR-NRFANRHFSA-N 467.275 4.245 50 10 JIGE O=C(CN1C(=O)/C(=C/c2ccc(-c3ccccc3)o2)SC1=S)Nc1nnc(CCCl)s1 39793639 OXCNCYGPYFDCNB-GDNBJRDFSA-N 491.019 4.419 50 10 JIGE O=C(COc1cccc(Cl)c1)N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21 40846289 LQLZVXSCUBDWON-QYQHSDTDSA-N 454.313 4.440 50 10 JIGE COc1ccc(/C=C(\C#N)C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2OC)cc1 40870021 OEBDFCDSPKFKJC-RCJIYZEVSA-N 493.519 4.440 50 10 JIGE COc1cc(/C=C(\C#N)C2=NN(c3ccccc3)[C@H](N)[C@H]2C#N)ccc1OCc1cccc(C(=O)O)c1 59301966 HLJFPZDMRNVKAB-MBXXWWSJSA-N 493.523 4.180 50 10 JIGE C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)C(=O)NNC(=O)C1CCC1 59883375 WQOWTGUPJFYDRY-CQSZACIVSA-N 455.971 4.016 50 10 JIGE C[C@@H](CBr)[C@@H](C)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 167739991 YNZJRPLMQWAGLL-NKWVEPMBSA-N 454.011 4.454 50 10 JIGE C[C@@H](Br)C[C@@H](C)NS(=O)(=O)c1cc(Br)ccc1Br 228247382 LDXSTODFPRBYST-HTQZYQBOSA-N 464.017 4.052 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CCC[C@@H](Br)C1 232458748 ADQOCJAYIMWEGN-MRVPVSSYSA-N 472.946 4.053 50 10 JIGE CCSc1nc(C)cc(SCC(=O)NN=Cc2ccc(N(CCCl)CCCl)cc2)n1 254379362 RTMOISDISLHUOA-UHFFFAOYSA-N 486.494 4.423 50 10 JIGE CCOc1cccc(C=NNC(=O)CSc2nnc(SCc3ccc(C)cc3)s2)c1O 254631678 ORFGCFWZGQLZOJ-UHFFFAOYSA-N 474.633 4.486 50 10 JIGE COc1ccc(/C=C\C(=O)Oc2ccc(C=NNC(=O)COc3c(C)cccc3C)cc2)cc1 254794176 DJQLVNIBVGUTRE-CUUCMAFOSA-N 458.514 4.460 50 10 JIGE CCCOO[C@@H]1[C@H](Sc2ccc(C)cc2)O[C@H](C(=O)OC)[C@@H](OOCCC)[C@@H]1OOCCC 261508190 QIJWYGJWRKDWCZ-JSSYZSAGSA-N 488.599 4.165 50 10 JIGE O=S(=O)(c1cc(Cl)c(Br)s1)N1C[C@@H]2CC[C@H](Br)C[C@H]2C1 398836256 NFEXMDNHJPFALB-CIUDSAMLSA-N 463.644 4.348 50 10 JIGE Cn1ncc(Br)c1[C@H](Br)c1cc(Br)cc2c1OCC2 693072029 WFNCUBVCKLYYJL-LLVKDONJSA-N 450.956 4.364 50 10 JIGE O=C(NC[C@]1(CBr)CCCOC1)c1ccc(Br)cc1Br 700911225 MKDPCSKKAJMNGQ-CQSZACIVSA-N 469.999 4.133 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2CCC[C@]2(C)CBr)cc1Br 722979925 GVAOTBBUNNGXDO-CYBMUJFWSA-N 490.055 4.458 50 10 JIGE CCCC(=O)NC[C@H]1CCCN(C(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(F)cc3)c2C)C1 726170780 BEWCBECPMJTYDD-IDCRMVTHSA-N 450.558 4.295 50 10 JIGE N#CCCn1cc(/C=C(/C#N)C(=O)NCCCOC2CCCC2)c(-c2ccc(Cl)cc2)n1 747135393 DDBAPJDRURAHOR-CYVLTUHYSA-N 451.958 4.490 50 10 JIGE Cc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)N3CCN(c4ccccc4F)CC3)c(C)c21 1772744063 QYXGNCVSGPVCPR-UHFFFAOYSA-N 488.563 4.468 50 10 JIGE CCOc1ccccc1OCC(=O)NN=C1C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 1772752438 MHHBRDSQBKJFJY-UHFFFAOYSA-N 463.921 4.185 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Br)cc2)[C@@H]1c1cccnc1 1865699855 DWUAWBUWSPGYLL-CQSZACIVSA-N 462.229 4.267 50 10 JIGE C[C@@H]1OC[C@H](Br)[C@H]1Cc1ccc(I)c(Br)c1 1904327771 ANVAUQYOYUIQGK-ARENWVFISA-N 459.947 4.395 50 10 JIGE C[C@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1cc(Br)cs1 1914634037 QKACHSHESGFGTN-NSHDSACASA-N 453.221 4.485 50 10 JIGE Cc1c(Br)sc([C@H](Br)[C@H](C)S(C)(=O)=O)c1Br 1922934167 CVXKILBAADBJJC-CAHLUQPWSA-N 455.031 4.451 50 10 JIGE C[C@@H]1CN(c2ncc(I)cc2Br)CC[C@@H]1Br 1988539114 CAHTWBIZEOKDCY-APPZFPTMSA-N 459.951 4.058 50 10 JIGE Clc1c(I)cc(I)cc1CBr 2060260262 RLLYBBYCIZAIFG-UHFFFAOYSA-N 457.274 4.444 50 10 JIGE CN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(Br)c(CCl)c1 2088571720 UFOYDCHNGHEBHB-QGZVFWFLSA-N 457.821 4.083 50 10 JIGE O=C(c1cc(Br)c(Br)s1)N1CCC[C@@H](OCCBr)C1 2113864293 NRKSFJIZGFJUPI-MRVPVSSYSA-N 476.028 4.289 50 10 JIGE O=S(=O)(c1ccc(CCBr)s1)N1CC2(CC(OCc3ccccc3)C2)C1 2123244006 QNLJZKNUWAYPES-UHFFFAOYSA-N 456.427 4.055 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CC[C@@H](CCl)C12CC2 2133824061 AQUVVUINFQKKSH-VIFPVBQESA-N 454.533 4.287 50 10 JIGE O=S(=O)(NC1CC2(C1)CC(OCc1ccccc1)C2)c1ccc(CBr)cc1 2160237817 NTZNRKDPVOYLPW-UHFFFAOYSA-N 450.398 4.388 50 10 JIGE CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)[C@@H](Br)C2CCCC2)C[C@@H]1C(F)(F)F 2167034817 UGOQFLYDAMSOBE-RDBSUJKOSA-N 457.331 4.102 50 10 JIGE C[C@@H]1CN(C(=O)c2cc(Br)ccc2Br)C[C@H](CCBr)O1 2179373384 FJWRLNGCWBPHDJ-KOLCDFICSA-N 469.999 4.226 50 10 JIGE CN([C@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(CBr)cc1F 2179789540 RWBNXIXEUZQRBR-SFHVURJKSA-N 455.393 4.006 50 10 JIGE CN([C@H]1CC[C@H]1OCc1ccccc1)S(=O)(=O)c1cc(CBr)cc(F)c1F 2179862610 YSFNBAUTJRVTNG-DLBZAZTESA-N 460.340 4.228 50 10 JIGE Cn1nc(Br)c([C@@H](Br)c2c(F)cc(F)c(Br)c2F)n1 2227806581 ITEHMNKDBBYDSC-ZETCQYMHSA-N 463.877 4.242 50 10 JIGE CC1(C)OCCN(C(=O)c2cccc(Br)c2Br)[C@H]1CBr 2282803863 AJZPNCFSRKVCOE-NSHDSACASA-N 469.999 4.226 50 10 JIGE C[C@@H](Cl)CN(CCC(C)(C)C)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2288058258 DDZJODARVVSKAX-QGZVFWFLSA-N 457.036 4.148 50 10 JIGE CCOC(=O)c1ccc(NC(=O)C(C#N)=Cc2cc(Br)c(O)c(OCC)c2)cc1 2297559164 XIEDNTWPZBHWKS-UHFFFAOYSA-N 459.296 4.276 50 10 JIGE O=S(=O)(N[C@@H](CCBr)COCc1ccccc1)c1ccc(Br)cc1 2303550457 JZRCEHBYEUANEB-INIZCTEOSA-N 477.218 4.098 50 10 JIGE CC1(C)CN(Cc2cc(I)ccc2Cl)C[C@@H](CBr)O1 2352426372 SUNHGLLNUYHOIB-GFCCVEGCSA-N 458.565 4.319 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2C[C@@H]3C[C@H](Br)[C@H]2C3)cc1Br 2355623099 BTMNUSXCQSRAHT-UBHAPETDSA-N 488.039 4.066 50 10 JIGE CCCCOc1cccc(C(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)c1 14041986 XRKRKYFRINNQSQ-KRWDZBQOSA-N 465.575 4.122 50 10 JIGE COc1ccc(C(=O)NNC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)cc1 14669661 XGFNAOOCWOQFNM-UHFFFAOYSA-N 469.335 4.154 50 10 JIGE O=C(CSCc1ccc(Cl)cc1)N/N=C/c1ccc(Sc2nnnn2-c2ccccc2)o1 20071810 SVGPDEYZPMPZLC-FSJBWODESA-N 484.994 4.443 50 10 JIGE N#CC1=C(N)Oc2cc(OC(=O)[C@H]3COc4ccccc4O3)ccc2[C@H]1c1ccccc1Cl 38687604 FWFPIOZVCWSUJF-DHIUTWEWSA-N 460.873 4.304 50 10 JIGE Cc1ccc(Nc2ncnc(NNC(=O)c3ccccc3Br)c2[N+](=O)[O-])c(C)c1 40621170 HWNZJTRMZDXOFL-UHFFFAOYSA-N 457.288 4.265 50 10 JIGE CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)C1=O 101332460 RDQBUSHOJNNJJT-FYJGNVAPSA-N 453.458 4.060 50 10 JIGE O=C(NC[C@H]1CC[C@H](Br)C1)c1cc(I)ccc1Br 227683892 GOHHLWBXDQEKNU-IUCAKERBSA-N 486.973 4.347 50 10 JIGE O=C(NN=Cc1coc2ccc(Cl)cc2c1=O)c1ccnn1Cc1cccc(Br)c1 254480448 QJXPWUOBRNDZMU-UHFFFAOYSA-N 485.725 4.218 50 10 JIGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2c(C)n(C)c3ccccc23)cc1OC 254493872 XPEKPBFSPMOGRD-PQCCIQEZSA-N 496.567 4.425 50 10 JIGE O=C(NN=Cc1ccc(O)cc1)c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1 254630997 NXPOWXBMMFSWIR-UHFFFAOYSA-N 464.330 4.264 50 10 JIGE C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)NN=Cc2c(F)c(F)c(F)c(F)c2F)cc1 254835943 DTIYWZIQQFQVCM-CHWSQXEVSA-N 483.437 4.314 50 10 JIGE COc1ccc(COC2(CI)CCN(C(=O)OC(C)(C)C)CC2)cc1 310598860 MTJWIFAJTPHGRE-UHFFFAOYSA-N 461.340 4.417 50 10 JIGE CC(C)N(CCOCCBr)C(=O)c1cc(Cl)ccc1I 380888421 YDPNCZODNWNFEU-UHFFFAOYSA-N 474.564 4.207 50 10 JIGE CC[C@@H](CBr)N(C)C(=O)c1cc(I)ccc1Br 383254956 FKLDEEZAQAVADY-VIFPVBQESA-N 474.962 4.299 50 10 JIGE CN(CCCNC(=S)NNC(=O)c1ccccc1OCc1ccc(F)cc1)c1ccccc1 726436733 IFJNZILMRWVEQA-UHFFFAOYSA-N 466.582 4.040 50 10 JIGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1cccc(OC)c1O)C(C#N)=C(N)O2 1865684237 NYXAFNDGGYELLX-HXUWFJFHSA-N 450.926 4.470 50 10 JIGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@H](c2cccnc2)C(C#N)=C(N)O3)cc1 1865700608 YYAPSKPVKUHDJH-JOCHJYFZSA-N 451.486 4.170 50 10 JIGE CCC[C@H](NC(=O)c1cc(C)n(-c2ccccc2F)n1)C(=O)Nc1ccc(SC#N)cc1 1867167924 NUHQHQBVBKQAEP-IBGZPJMESA-N 451.527 4.430 50 10 JIGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1cccc(I)c1 1902794889 REPVIBSHOFNAMP-KRWDZBQOSA-N 488.163 4.391 50 10 JIGE CC(C)(C)OC(=O)N1C[C@H](Br)[C@@H](OCc2cc(F)ccc2Br)C1 1994979825 BFENKZAHZFVWSE-KBPBESRZSA-N 453.146 4.488 50 10 JIGE C[C@@H]1CC[C@@H](CBr)N(c2ncc(I)cc2Br)C1 2015757026 NNMZYBQFDRUUNJ-SCZZXKLOSA-N 473.978 4.449 50 10 JIGE O=C(N[C@H]1CC[C@@H](CBr)C1)c1cc(I)ccc1Br 2029536382 QLBFIFKGEGTNLM-SCZZXKLOSA-N 486.973 4.347 50 10 JIGE CC(C)(C)OC(=O)N1CCOC2(CCC3(CCC[C@H](CI)O3)CC2)C1 2040451118 JUVGZXQCPPJJQU-VNCLNFNDSA-N 465.372 4.309 50 10 JIGE C[C@@H]1CCN(C(=O)c2ccc(Br)cc2I)C[C@@H]1Br 2086146767 FDQNZPHMJCMDPQ-KCJUWKMLSA-N 486.973 4.299 50 10 JIGE CC[C@H](C)[C@@H](Br)CNS(=O)(=O)c1cc(Br)ccc1Br 2090426297 VUXVMQJDGLDLDT-KWQFWETISA-N 478.044 4.300 50 10 JIGE CC1(C)[C@@H](CBr)OCCN1C(=O)c1scc(Br)c1Br 2103404133 JEWCYMRIGYBKBO-MRVPVSSYSA-N 476.028 4.288 50 10 JIGE CC[C@H](C)[C@H](CI)NS(=O)(=O)c1c(Cl)cccc1Br 2136492512 OICOCIJLIBIMKV-KWQFWETISA-N 480.593 4.231 50 10 JIGE ClCc1cnc(N2CCC[C@]3(CN(Cc4ccccc4)CCO3)C2)c(Br)c1 2151752495 UOYNOPYYLLVONN-NRFANRHFSA-N 450.808 4.454 50 10 JIGE CN(Cc1cnn(Cc2ccccc2)c1)S(=O)(=O)c1ccc(Cl)c(CBr)c1 2179791140 NHOQHWOTOOUQNN-UHFFFAOYSA-N 468.804 4.300 50 10 JIGE CCc1ccc(CBr)cc1S(=O)(=O)N1CCN(Cc2ccccc2)C[C@@H]1C 2179854721 XOEBBZDIQUYDHA-KRWDZBQOSA-N 451.430 4.039 50 10 JIGE CC(C)[C@H]1[C@H](Br)CCN1S(=O)(=O)c1cc(Br)ccc1Br 2182499325 XAJYIHJZZVOUBS-YPMHNXCESA-N 490.055 4.394 50 10 JIGE Cc1cc(Br)c(NC(=O)CN(C)C[C@H]2C[C@H]2Br)c(Br)c1 2196932558 ZPIGTJGZIIFHKK-NXEZZACHSA-N 469.015 4.174 50 10 JIGE CN(C[C@H]1C[C@H]1Br)C(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2229108185 TWBAACJGJDHULN-BMFZPTHFSA-N 490.236 4.127 50 10 JIGE COCCN(C[C@H](C)Br)C(=O)c1csc(Br)c1Br 2259780161 VCPZETHBGWHUMR-ZETCQYMHSA-N 464.017 4.145 50 10 JIGE COc1ccc([C@H](Cl)c2nn(C)c(Br)c2C)cc1I 2269551180 JRYNQDCHKKPOLR-NSHDSACASA-N 455.521 4.432 50 10 JIGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N2CCOCC2)cc1C 2296539301 LXBGFCVZOJWRLN-UHFFFAOYSA-N 456.546 4.402 50 10 JIGE COc1ccc(C=C2Oc3cc(OC(=O)C(Cl)Cl)cc(C)c3C2=O)c(OC)c1OC 2323758640 SMAUTKMLPKQRSR-UHFFFAOYSA-N 453.274 4.346 50 10 JIGE COc1ccc2[nH]cc(C=NNC(=O)Cn3cnc4sc(C)c(-c5ccccc5)c4c3=O)c2c1 2325904197 RNMRXXPANMANDA-UHFFFAOYSA-N 471.542 4.074 50 10 JIGE CN(C(=O)c1c(Br)c(Br)nn1C)[C@@H]1CCCCC[C@H]1Br 2364230144 IQEVEXURJJBHMO-RKDXNWHRSA-N 472.019 4.113 50 10 JIGE C[C@H](Br)CN(C1CCCC1)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2368855264 QFSBHOUYIUXPBP-KRWDZBQOSA-N 499.471 4.201 50 10 JIGE ClCCCN1CCCN(Cc2ccc(I)c(Br)c2)CC1 2377354767 XODVDHWCHVCGPG-UHFFFAOYSA-N 471.608 4.190 50 10 JIGE O=C(Nc1ccccc1C(=O)N/N=C/c1cccc(I)c1)c1ccccc1 8426999 YSCRLMQOEKOUHC-OEAKJJBVSA-N 469.282 4.307 50 10 JIGE CCCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)/C=C/c2cccc3ccccc23)cc1 13987016 RLIBWYUENAERMB-SAPNQHFASA-N 474.586 4.317 50 10 JIGE Cc1ccc(NC(=O)CCC(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)cc1C 14644354 NAMOZDJPXRWZPQ-CQSZACIVSA-N 496.789 4.053 50 10 JIGE CCc1cc(C)cc(OCC(=O)N/N=C/c2ccc(OCc3cccc(C(=O)O)c3)c(OC)c2)c1 59247952 VTMGYLNVZBFVFC-RWPZCVJISA-N 476.529 4.372 50 10 JIGE CCCCCOc1ccc(/C=N/NC(=O)c2cc(-c3ccc(F)cc3)nc(O)n2)cc1OC 169923982 XONXIFFKRPGWKA-CVKSISIWSA-N 452.486 4.330 50 10 JIGE COc1cccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)c1 382696420 BEIBZTZBBNMIQO-PKOBYXMFSA-N 451.304 4.482 50 10 JIGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OC(C)C)cc2)c2ccccc2F)cc1 1083941302 OCEDOJDCSPUPHQ-UHFFFAOYSA-N 483.565 4.267 50 10 JIGE C=C(C)c1cccc(NC(=O)/C(C#N)=C\c2cn(CCC(N)=O)nc2-c2ccc(OC)cc2)c1 1456873752 RJIPCRNHNWYHBE-MOSHPQCFSA-N 455.518 4.013 50 10 JIGE CC(C)CNS(=O)(=O)c1ccc2nc(NC(=O)/C(C#N)=C/c3ccc(Cl)cc3)sc2c1 1866128315 JTTDXDRXFCAHSN-OQLLNIDSSA-N 474.995 4.430 50 10 JIGE CSCC[C@@H](NC(=O)C[C@H](c1ccccc1)c1nnc(C)o1)C(=O)Nc1ccc(SC#N)cc1 1867036448 TXDXKCZEBMHSKQ-NHCUHLMSSA-N 495.630 4.350 50 10 JIGE O=C(c1c(Br)cccc1Br)N1C[C@H](Br)[C@@H](Br)C1 2019464787 WUYPXUFGJMMJSR-IUCAKERBSA-N 490.815 4.194 50 10 JIGE CCN1CC[C@H]([C@H](Br)c2ccc(Br)cc2Br)S1(=O)=O 2089525087 YJEZJNHMWYOAEH-VXGBXAGGSA-N 476.028 4.072 50 10 JIGE Brc1ccc(Br)c(CN2CCO[C@@H]3C[C@@H](Br)C[C@H]32)c1 2128864960 NGNCQNNDXFMECJ-IACUBPJLSA-N 454.000 4.338 50 10 JIGE O=C(c1cccc(F)c1I)N1C[C@H](Br)CCC12CCC2 2174533680 XIHQKKLKRHWWPI-SNVBAGLBSA-N 452.105 4.353 50 10 JIGE Cc1oc(CBr)cc1S(=O)(=O)N(C)C[C@H]1CCCN(Cc2ccccc2)C1 2179810469 FHHHVAANBNOZFQ-GOSISDBHSA-N 455.418 4.016 50 10 JIGE CN([C@@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@@H]21)S(=O)(=O)CCC(F)(F)CBr 2190547569 NFOOVCKMYNKBNI-XWTMOSNGSA-N 466.388 4.052 50 10 JIGE O=C(N[C@@H](CBr)C[C@H]1CCOC1)c1cc(Br)ccc1Br 2195493066 LOLHDOUZWQNANV-MWLCHTKSSA-N 469.999 4.132 50 10 JIGE C[C@H]1[C@H](Br)C[C@@H](C)CN1c1ncc(I)cc1Br 2214805016 KWRXRHDXAKBKOV-KHQFGBGNSA-N 473.978 4.447 50 10 JIGE O=S1(=O)C[C@@H]2[C@H]([C@@H](Br)c3cc(Br)c(Br)cc3F)[C@@H]2C1 2225616931 KKTGRWUUDQDXSZ-OSLXUSTOSA-N 476.987 4.077 50 10 JIGE CC[C@H]1[C@H](Br)CCN1c1ncc(I)cc1Br 2245105751 CFWZYLYUPPBYIF-SCZZXKLOSA-N 459.951 4.201 50 10 JIGE COc1cc(Br)ccc1OCC(=O)NN=Cc1ccc(OC(=O)C=Cc2ccco2)cc1 2296734195 UIIVGMABMCVJHR-UHFFFAOYSA-N 499.317 4.199 50 10 JIGE O=C1NC(=O)N(c2cccc(C(F)(F)F)c2)C(=O)C1=Cc1ccc2c(c1)CCN2CCCCl 2296944892 QDURWWSEKJPYMI-UHFFFAOYSA-N 477.870 4.363 50 10 JIGE F[C@H]1CN(Cc2ccc(I)c(Br)c2)C[C@H]1CBr 2306216863 KMWNJFRICNRLAF-KOLCDFICSA-N 476.953 4.219 50 10 JIGE O=C(N[C@H]1C[C@@H](CBr)[C@@H]2C[C@@H]12)c1csc(Br)c1Br 2309223306 DONXIIGREFXKJP-LKHWLPBLSA-N 458.013 4.422 50 10 JIGE CCCc1ccc(OCC(=O)Oc2cccc(C=C(C#N)C(=O)OC)c2)c(Br)c1 2314770577 JWFGYLYOSWEKGM-UHFFFAOYSA-N 458.308 4.466 50 10 JIGE N#CC(=Cc1ccc(OC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1)c1ccccc1F 2320506360 HYWGQPGLFMYHLP-UHFFFAOYSA-N 492.528 4.130 50 10 JIGE COC(=O)c1cccc(NC=C(C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 2324609854 WMNHOEFKTPMJGW-UHFFFAOYSA-N 480.568 4.226 50 10 JIGE Fc1cc(CNCC(F)(F)C(F)(F)CI)ccc1Br 2336533668 HBUCNCLIARRDPR-UHFFFAOYSA-N 458.006 4.383 50 10 JIGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)Nc1ccc(CBr)c(F)c1 2367667111 OKIHYLOJSHBDLW-UHFFFAOYSA-N 497.386 4.319 50 10 JIGE CC(C)CCOc1cccc(C(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)c1 14644990 JBVWXYBKWPOZEY-GOSISDBHSA-N 479.602 4.368 50 10 JIGE N#C/C(=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1)c1nn(CCO)c(N)c1C#N 35240909 FRCSKCYVUNOGQS-SXGWCWSVSA-N 454.317 4.279 50 10 JIGE CCOC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N(CC)CC)c1 35447535 RFMLZOWAAXBKAU-HMMYKYKNSA-N 478.574 4.040 50 10 JIGE O=C(NNc1ncnc(NNc2ccccc2)c1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 40624614 FBVUYLLUUFCRHL-UHFFFAOYSA-N 455.478 4.099 50 10 JIGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Cl)c(O)c(Br)c2)cc1 58893809 HVASTUIKCNAANT-SXOHWRJOSA-N 455.736 4.171 50 10 JIGE CCOc1ccc(C(C)=NNC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1 254478753 CEYURJLGDKTDJF-UHFFFAOYSA-N 481.574 4.184 50 10 JIGE CS(=O)(=O)Cc1ccc(NC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)cc1 746388075 IEOQFNAJBAQHRH-UYRXBGFRSA-N 493.976 4.207 50 10 JIGE CCCCN(CCCC)CCOC(=O)c1ccc(NC(=S)NNC(=O)Cc2ccccc2)cc1 1088731085 SFEAJBJCLHHJQB-UHFFFAOYSA-N 484.666 4.306 50 10 JIGE C/C(=C\c1ccc(OC(F)(F)F)cc1)C(=O)NNC(=O)c1cc(-c2ccc(C)c(C)c2)[nH]n1 1137968981 ABKNJVLXASRSKJ-XNTDXEJSSA-N 458.440 4.457 50 10 JIGE C#CCN1CCCN(C(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)CC1 1465278549 OVRXALXSRCFDCU-QNGOZBTKSA-N 454.496 4.187 50 10 JIGE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NNC(=O)c2cc3c(s2)CC[C@@H](C)C3)cc1 1667786583 UUFKKVZNYKPOMY-MRXNPFEDSA-N 452.580 4.154 50 10 JIGE CC(C)(C)OC(=O)NCCCCCC(=O)N/N=C/c1c(C(=O)O)[nH]c2ccc(Cl)cc12 1873793059 UKMUQPDOPGPMLW-WYMPLXKRSA-N 450.923 4.055 50 10 JIGE C[C@H](Br)C1CN(Cc2ccc(I)c(Br)c2)C1 1904336914 BJIBSXFKEJDANV-QMMMGPOBSA-N 458.963 4.269 50 10 JIGE O=C(NC1CC([C@@H](F)CBr)C1)c1cc(Br)ccc1Br 1906452298 BBEUARPJZJTUIY-FMDDCXKFSA-N 457.963 4.453 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1C[C@@H](Br)CC2(CC2)C1 1926030308 PBFODWKAPBILDN-VIFPVBQESA-N 454.533 4.334 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CN(C(=O)OC(C)(C)C)CC2(CC2)C1 1985347329 QJXGAMMAKVGLCM-INIZCTEOSA-N 461.694 4.272 50 10 JIGE ClCCc1n[nH]c(=Nc2cc(Br)c(Br)c(Br)c2)o1 2034333609 IBIFZZYDBZIIAJ-UHFFFAOYSA-N 460.351 4.304 50 10 JIGE O=C(c1scc(Br)c1Br)N1CC2(C1)OCCC[C@@H]2Br 2103412118 PBXVRPRGDWTCJG-QMMMGPOBSA-N 474.012 4.042 50 10 JIGE C[C@@H](Br)[C@H]1CCN1S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2125818664 RAEYCMUIOQADHG-LHLIQPBNSA-N 451.995 4.302 50 10 JIGE O=C(c1scc(Br)c1Br)N1CCO[C@@H]2C[C@H](Br)C[C@@H]21 2128876023 CVLQEVQWEFTUII-BWVDBABLSA-N 474.012 4.040 50 10 JIGE O=C(Cc1ccccc1I)NC[C@H]1CCC[C@@H](CBr)C1 2143867281 AFIMFXWVAJACMJ-OLZOCXBDSA-N 450.158 4.151 50 10 JIGE CCCN1CC[C@@H]([C@@H](Cl)c2ccc(I)c(Br)c2)S1(=O)=O 2145782743 XGTTVEMGUQAZHB-STQMWFEESA-N 492.604 4.148 50 10 JIGE C[C@H]1CN(S(=O)(=O)c2cc(Cl)cc(CBr)c2F)CCN1Cc1ccccc1 2179861856 NMXHLIDUGUUEGX-AWEZNQCLSA-N 475.811 4.269 50 10 JIGE O=C(c1cc(Br)c(Br)s1)N1C[C@H]2OCCC[C@@]2(CBr)C1 2238793506 DUGNYWNEJMCGDZ-ZWNOBZJWSA-N 488.039 4.289 50 10 JIGE NNC(=O)c1cc(Br)cc(Br)c1NC(=O)c1ccc(Cl)cc1Cl 2295356239 WAHNDKQPATUPGO-UHFFFAOYSA-N 481.959 4.374 50 10 JIGE O=C(c1csc(Br)c1Br)N1C[C@H]2C[C@H](CBr)[C@H]2C1 2309711449 KYGDWCGYAQWZMY-BWZBUEFSSA-N 458.013 4.376 50 10 JIGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1ccc(OC)c(OC)c1 2314753190 IXZKLQRJSUFIJT-UHFFFAOYSA-N 476.485 4.138 50 10 JIGE FC(F)(F)[C@H]1CN(Cc2sccc2I)C[C@@H]1CBr 2316761287 CLMXZCHSOHLTHJ-YUMQZZPRSA-N 454.093 4.358 50 10 JIGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)c1 12500726 DANRQANBZIUMFK-UHFFFAOYSA-N 461.587 4.500 50 10 JIGE CC(C)CC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)/C=C/c2cccc3ccccc23)cc1 13979049 FZPPEJDGIRQBIT-NTCAYCPXSA-N 474.586 4.173 50 10 JIGE N#CC1=C(N)OC2=C([C@@H]1c1ccc(O)cc1)S(=O)(=O)N(Cc1ccc(F)cc1)c1ccccc12 20558440 DGGGGHXNWJUQIB-JOCHJYFZSA-N 475.501 4.058 50 10 JIGE O=C(NNC(=O)c1cccnc1-c1nc2ccccc2s1)c1ccc(Br)cc1 39881380 RSVGQFUIVBNKPE-UHFFFAOYSA-N 453.321 4.196 50 10 JIGE O=C(NNc1ncnc(Nc2cc(Cl)ccc2Cl)c1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] 40646578 RCYIUTGNHVNMKH-UHFFFAOYSA-N 464.225 4.100 50 10 JIGE CCOC(=O)/C(C#N)=C\c1cc(I)c(OCc2ccc(F)cc2)c(OC)c1 101380358 ASYALRIJOVHJEA-NVNXTCNLSA-N 481.261 4.488 50 10 JIGE CCOc1cc(/C=N\NC(=O)Cc2cc(Cl)ccc2SCC)cc([N+](=O)[O-])c1OC 169922367 IBBRUECWEVHJJD-UUYOSTAYSA-N 451.932 4.460 50 10 JIGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1ccc(OC)c(OC)c1 206675435 IXZKLQRJSUFIJT-UNOMPAQXSA-N 476.485 4.138 50 10 JIGE COc1ccccc1/C=C(/C#N)C(=O)Oc1ccc(/C=C(/C#N)C(=O)NCc2ccco2)cc1 206727103 ZWSJZIAVAOZPIH-NMGXZBPKSA-N 453.454 4.024 50 10 JIGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\Nc1cc(Cl)ccc1O 217253945 LAEZVBBTODDYSA-LUAWRHEFSA-N 453.667 4.417 50 10 JIGE O=S(=O)(NC[C@@H]1CCC[C@H](Br)C1)c1cc(Br)ccc1Br 227805261 OGMYPZWDTSUOOM-ZJUUUORDSA-N 490.055 4.444 50 10 JIGE O=S(=O)(NC[C@H]1CCC[C@H](Br)C1)c1cc(Cl)c(Br)s1 227806213 VNGKOSOKIMHNPN-YUMQZZPRSA-N 451.633 4.396 50 10 JIGE CC(C)[C@@H](CCBr)NS(=O)(=O)c1cc(Br)ccc1Br 231176632 IQGRFOCHFFADAF-LLVKDONJSA-N 478.044 4.300 50 10 JIGE O=C(C1CC1)[C@@H](Br)Cc1ccc(I)c(Br)c1 300889884 DKCNVUJMBRIRQG-JTQLQIEISA-N 457.931 4.339 50 10 JIGE O=S(=O)(N[C@H](CBr)C1CCCC1)c1cc(Br)ccc1Br 386309067 WPAYZCQRHYNJLM-GFCCVEGCSA-N 490.055 4.444 50 10 JIGE CN(C[C@@H]1CCC[C@H]1Br)S(=O)(=O)c1cc(Cl)c(Br)s1 689297935 SSRPESPGCAFHOB-JGVFFNPUSA-N 451.633 4.348 50 10 JIGE CCC(=O)[C@H](Br)Cc1cc(I)cc(I)c1 690366103 YSZYMPSOYLMNNU-SNVBAGLBSA-N 492.920 4.181 50 10 JIGE CCOC(=O)COc1c(Cl)cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc1Br 725427337 TXJBAPBLZBJIGZ-SFHVURJKSA-N 497.773 4.008 50 10 JIGE COc1ccc(-c2nc(COC(=O)/C(C#N)=C/c3cn(CCC#N)nc3-c3ccccc3)no2)cc1 913215877 APZZSNGFKDHSKQ-XSFVSMFZSA-N 480.484 4.173 50 10 JIGE COc1ccc(C=NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3)c2)c(C(=O)O)c1OC 1082753787 JVUXVWKTPVBUEP-UHFFFAOYSA-N 481.892 4.072 50 10 JIGE CCOc1ccc(NC(=O)C(=O)NN=Cc2cc(C)n(-c3cccc(Br)c3)c2C)cc1 1083955295 VKRIKZCXAWTKKL-UHFFFAOYSA-N 483.366 4.344 50 10 JIGE CCN(CC)c1ccc(C=NNC(=O)COc2ccc(Br)cc2Cl)c(O)c1 1083984096 MFKLMKFKWSUBGO-UHFFFAOYSA-N 454.752 4.183 50 10 JIGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)NN=C(C)c1cccnc1 1084130622 ZAHYXBMMUCXHJR-INIZCTEOSA-N 470.002 4.146 50 10 JIGE O=C(CCCC(=O)Nc1ccc(Br)cc1)NN=Cc1ccc(Br)cc1 1084245721 YFDIBXFPDXWFDH-UHFFFAOYSA-N 467.161 4.471 50 10 JIGE N#Cc1ccccc1OCC(=O)NN=C1C(=O)N(Cc2cccc3ccccc23)c2ccccc21 1084247269 QVPXFPYAQGXXQW-UHFFFAOYSA-N 460.493 4.158 50 10 JIGE COc1cc(Cl)ccc1C(=O)NNC(=O)CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 1086979442 UANJPVSOFIJDCW-CJKMCJCZSA-N 455.780 4.234 50 10 JIGE CC(C)(C)OC(=O)N1C[C@H](c2cc([N+](=O)[O-])ccc2F)[C@@H](CI)C1 1614688646 DDQBVUSEJWYPRB-GWCFXTLKSA-N 450.248 4.119 50 10 JIGE CC(=O)N1CCN(c2cccc(NC(=O)NNc3ccc(OCc4ccccc4)cc3)c2)CC1 1670280162 SSMMVNUIVLAWBZ-UHFFFAOYSA-N 459.550 4.083 50 10 JIGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2)oc2c1C(=NNc1ccc([N+](=O)[O-])cc1)CCC2 1772747774 OVRBVNOMTARSIZ-UHFFFAOYSA-N 481.896 4.377 50 10 JIGE Cc1nc(CC(=O)N[C@@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)co1 1867226156 JZRMYGRYOZSNBS-NRFANRHFSA-N 466.588 4.156 50 10 JIGE C[C@]1(CBr)CCN1C(=O)c1ccc(I)c(Br)c1 1947982122 MXWKADGWAKUUFI-GFCCVEGCSA-N 472.946 4.053 50 10 JIGE C[C@H]1SC(=C(C#N)C(=O)NCCc2ccccc2)N(c2ccc(Br)cc2)C1=O 2040490939 SAYAAWQBUMSQDC-CQSZACIVSA-N 456.365 4.011 50 10 JIGE C[C@H]1C[C@@H]1N(CCBr)C(=O)c1ccc(I)c(Br)c1 2048215652 FYIKCEMITYAWFC-UFBFGSQYSA-N 486.973 4.299 50 10 JIGE FC(F)Oc1c(I)ccc(I)c1CBr 2060289740 FKOJPBFZFNAKPV-UHFFFAOYSA-N 488.835 4.392 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CN(Cc2ccccc2)[C@]2(CCCOC2)C1 2061261623 BGZIGUIJRXLTDP-ZJSXRUAMSA-N 481.728 4.306 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1[C@H]2CC[C@H]1[C@H](CBr)C2 2100988593 VYJAUFPXNJKTOO-KWBADKCTSA-N 498.984 4.442 50 10 JIGE CC1CC(CBr)(NS(=O)(=O)c2cc(Br)ccc2Br)C1 2107258014 SZLYBBAAHPHNDV-UHFFFAOYSA-N 476.028 4.054 50 10 JIGE O=C(c1cc(Br)sc1Br)N1CC[C@H](OCCCBr)C1 2142058818 ZDMVONHJFZREKI-QMMMGPOBSA-N 476.028 4.289 50 10 JIGE Cc1sc(Br)cc1S(=O)(=O)N(C)[C@@H](CCBr)C(F)(F)F 2178517078 CRJXOAVPRXFFRE-QMMMGPOBSA-N 459.147 4.155 50 10 JIGE CN(CC1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(CCBr)s1 2179821822 OKYYINNESIYRCX-UHFFFAOYSA-N 471.486 4.218 50 10 JIGE O=C(N[C@@H]1COC2(CCC2)[C@@H]1Br)c1ccc(Br)cc1Br 2206483391 DGIXXKLYMFPOHT-VXGBXAGGSA-N 467.983 4.026 50 10 JIGE CCN(C[C@](C)(CI)O[C@@H]1CC[C@@H]2[C@H]1C2(F)F)C(=O)OC(C)(C)C 2216577074 NEUHJNMMEDQNHS-JXFSHQFZSA-N 459.315 4.497 50 10 JIGE O=C(NC[C@@H]1CCCC[C@H]1CBr)c1c(F)cccc1I 2282811476 YVRYQSPVCKMHSK-QWRGUYRKSA-N 454.121 4.361 50 10 JIGE Brc1cc(Br)cc(C[C@@H](Br)[C@@H]2CCn3ncnc3C2)c1 2295345866 RQIKIADCRMQGFA-ZWNOBZJWSA-N 463.999 4.372 50 10 JIGE CN(CC1CC(Br)C1)[C@@H](CN)c1ccc(Cl)cc1I 2348275154 IAQMQPGAKHCBKG-FDZGAKKTSA-N 457.581 4.050 50 10 JIGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1)C(=O)NCc1cccnc1 9612992 FAEQMCKNEADELV-UDWIEESQSA-N 450.458 4.066 50 10 JIGE N#CC1=C(N)OC2=C([C@H]1c1ccc(O)cc1)S(=O)(=O)N(Cc1ccccc1F)c1ccccc12 20558520 ASCYRESBUMVMAF-QFIPXVFZSA-N 475.501 4.058 50 10 JIGE O=C(CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)NNC(=O)c1ccccc1Cl 35649051 FUJADAGZNZJBJZ-SFQUDFHCSA-N 494.425 4.436 50 10 JIGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4OC)ccc32)c1 38684863 AMXSTVUSYYPRGF-AREMUKBSSA-N 472.497 4.296 50 10 JIGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@H]3COc4ccccc4O3)ccc21 38700635 BJSZRXKRECOQGO-FTJBHMTQSA-N 484.508 4.439 50 10 JIGE COc1cc([C@@H](C(=O)NC2CCCC2)N(Cc2ccco2)C(=O)CCl)ccc1OC(C)C 97915046 BDOYRMDZQJGVLU-QHCPKHFHSA-N 462.974 4.443 50 10 JIGE CC(C)c1ccc(S(=O)(=O)c2ccc(NN/C=C3\C(=O)OC(=O)c4ccccc43)cc2)cc1 102909330 SNKHYLOIRAYMFR-HAHDFKILSA-N 462.527 4.297 50 10 JIGE O=C(Nc1ccc(O)c(C(=O)N/N=C2/C(=O)N(Cc3ccccc3)c3ccccc32)c1)c1ccccc1 195797360 HUAGCSUTPRANBL-GKPLWNPISA-N 490.519 4.325 50 10 JIGE CC(=NNC(=O)c1c(Br)c(C)nn1C)c1cccc(NC(=O)c2ccccc2F)c1 252642716 ZOSLVSMAAZDAIV-UHFFFAOYSA-N 472.318 4.036 50 10 JIGE COc1ccc(CCNC(=O)CC(C)=NNC(=O)Cc2ccc(-c3ccccc3)cc2)cc1OC 254303264 RDGCSSHORJOXPZ-UHFFFAOYSA-N 473.573 4.154 50 10 JIGE CC[C@@H](C)[C@H](COC1(CI)CCN(C(=O)OC(C)(C)C)CC1)OC 384672465 DGXMVTXJJVRHDY-CABCVRRESA-N 455.377 4.269 50 10 JIGE C[C@@H]1Oc2ccc(NC(=O)/C(C#N)=C\c3cn(CCC#N)nc3-c3ccc(Cl)cc3)cc2NC1=O 818072783 AMDZVLTUQYURNP-ZCQLHAAUSA-N 486.919 4.382 50 10 JIGE COCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)c1C 853510031 IEKRFVMCKYFSOY-YMPZHDRCSA-N 457.958 4.121 50 10 JIGE COc1cc(C=NNC(=O)C(=O)NCc2ccccc2)ccc1OCc1c(Cl)cccc1Cl 1084423452 DXFMDMZKCOOZHZ-UHFFFAOYSA-N 486.355 4.348 50 10 JIGE C/C(=C/C(=O)NNC(=O)COc1ccccc1Br)c1ccccc1C(F)(F)F 1644567284 FOOGPYBGCGWUIJ-BENRWUELSA-N 457.246 4.098 50 10 JIGE CC(C)(C)CC(C)(C)NC[C@H](O)COc1ccc(C(=O)NN=Cc2c[nH]c3ccccc23)cc1 1772743322 HRMDJMKTVWVPQG-NRFANRHFSA-N 464.610 4.476 50 10 JIGE CCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1cc(OC)c(OC)cc1OC)C(C#N)=C(N)O2 1865712250 TZYFCTMDZFMLGP-NRFANRHFSA-N 466.925 4.332 50 10 JIGE O=C(N[C@H](CCBr)COCc1ccccc1)c1cccc(I)c1 1902778878 REPVIBSHOFNAMP-QGZVFWFLSA-N 488.163 4.391 50 10 JIGE O=C(c1cc(Br)cc(Br)c1)N1C[C@H]2CC[C@@]2(CBr)C1 1903985003 UOXZPSUKCSKOGC-QMTHXVAHSA-N 451.984 4.459 50 10 JIGE CC(C)(C)OC(=O)Nc1ccc(C(=O)NC2CC(Br)C2)cc1I 1986069082 ITZAMWVIDPWOGI-UHFFFAOYSA-N 495.155 4.294 50 10 JIGE Brc1cc(I)cnc1N1CCCC[C@H](Br)C1 1988530235 CGHKMIBYGCIXEL-QMMMGPOBSA-N 459.951 4.203 50 10 JIGE CCc1c(I)cc(I)cc1C(=O)CBr 2060148141 YEIPDXWNWFIKEE-UHFFFAOYSA-N 478.893 4.036 50 10 JIGE CC(C)(C)OC(=O)NCCC(CCNC(=O)OC(C)(C)C)NC(=O)c1cccc(CCl)c1 2084886832 WJELHJSMLASFFU-UHFFFAOYSA-N 470.010 4.353 50 10 JIGE CC(F)(F)C[C@@H](CCl)NC(=O)c1cc(I)ccc1Br 2113235647 LVSBTJKBQHSQKK-QMMMGPOBSA-N 466.491 4.436 50 10 JIGE O=C(c1cccc(Br)c1Br)N1C[C@@H]2[C@H](CBr)C[C@H]2C1 2117689291 LZAOPXNGTNQNGI-ATZCPNFKSA-N 451.984 4.315 50 10 JIGE CN(C[C@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(CBr)cs1 2123231171 AUHDPMFOJVSMBK-QGZVFWFLSA-N 457.459 4.176 50 10 JIGE Cc1ccc(CBr)cc1S(=O)(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 2179787345 NLWBNLWOTKHXLO-SFHVURJKSA-N 451.430 4.175 50 10 JIGE Cc1c(CBr)cc(Cl)cc1S(=O)(=O)N1C[C@H]2C[C@H]1CN2Cc1ccccc1 2179861381 GNKXLQGWIUZCLU-MOPGFXCFSA-N 469.832 4.191 50 10 JIGE Cc1cc(CBr)cc(S(=O)(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)c1C 2179861961 OPIUPILXGIWJIE-FQEVSTJZSA-N 451.430 4.093 50 10 JIGE Cc1cccc(C(=O)N2CC[C@@H](C(F)(F)CBr)C2)c1I 2197761922 FZKZBCQOJQOUSW-SNVBAGLBSA-N 458.084 4.092 50 10 JIGE CC(C)(C)OC(=O)N[C@H]1CCN(CCCCI)[C@H](C(F)(F)F)C1 2243586783 VTHGEXWSMNTPPV-RYUDHWBXSA-N 450.283 4.122 50 10 JIGE O=S1(=O)CC([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2315441351 GGXDTUCTRUEMHT-MRVPVSSYSA-N 485.394 4.485 50 10 JIGE CC(=O)Nc1ccc(NC(=O)C(C#N)=CNc2ccc(I)cc2C)cc1 2324170023 KYWHOQYSWRZDMG-UHFFFAOYSA-N 460.275 4.016 50 10 JIGE C[C@H]1CO[C@@H](CBr)CN1Cc1ccc(I)c(Br)c1 2325223659 QEACLKRJYUSKSO-ONGXEEELSA-N 488.989 4.038 50 10 JIGE COc1cc(OC)cc([C@H](C)O[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2I)c1 2339730310 JFFKZCGWODOANS-AFAVFJNCSA-N 477.339 4.204 50 10 JIGE COc1ccc([C@@H]2C(C#N)=C3N=C(N)c4ccccc4N3C3=C2C(=O)CC(C)(C)C3)c(OC)c1 3654506 UQDQERNOIBHDDN-HSZRJFAPSA-N 454.530 4.405 50 10 JIGE Cc1cc(OCC(=O)NNC(=O)COc2ccc(C(C)C)cc2Br)cc(C)c1Cl 12580209 AKIWOAPTVXOXJY-UHFFFAOYSA-N 483.790 4.448 50 10 JIGE CCC(C)(C)c1ccc(OCC(=O)NNC(=O)COc2ccc(Cl)cc2Br)cc1 14784144 YRTKMOCJASVWOA-UHFFFAOYSA-N 483.790 4.395 50 10 JIGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4C)ccc32)cc1 38683594 ZCPQGKLAIXXEKD-AREMUKBSSA-N 484.508 4.293 50 10 JIGE O=C(NNc1ncnc(Nc2ccccc2Br)c1[N+](=O)[O-])c1ccccc1Cl 40648272 DIQQEKMDJVHTMF-UHFFFAOYSA-N 463.679 4.301 50 10 JIGE COc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccncc1)CCC2 40813943 KIAUXBDCYJYACD-JVWAILMASA-N 452.898 4.368 50 10 JIGE COc1cccc(CN(C(=O)CCl)[C@H](C(=O)NC2CCCCC2)c2ccc(OC)c(OC)c2)c1 97914566 MYCOGWHVJIZIOV-VWLOTQADSA-N 489.012 4.470 50 10 JIGE CC(=O)N1CCc2cc(Br)cc(NC(=O)N[C@H]3CC(C)(C)C[C@](C)(CN=C=O)C3)c21 170290028 LFSQCYKMKFSYPM-HTAPYJJXSA-N 477.403 4.400 50 10 JIGE CCC[C@@H](Br)CNC(=O)c1cc(Br)ccc1I 233265766 LWMGKRXCRNXKOU-SECBINFHSA-N 474.962 4.347 50 10 JIGE N#CCCn1cc(/C=C(/C#N)C(=O)NCCOc2ccc(F)cc2)c(-c2ccc(Cl)cc2)n1 914611048 AHMSPYBDWRHRCW-JXAWBTAJSA-N 463.900 4.358 50 10 JIGE Cc1ccc(C(=O)NN=C2C(=O)N(CCc3ccccc3)c3ccc(Br)cc32)cc1 1084283319 RWLTVPSXUWWSTD-UHFFFAOYSA-N 462.347 4.481 50 10 JIGE COc1cc(C=NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)cc(Br)c1OC 1772719675 LAPQTJIONLNTIY-GFCCVEGCSA-N 455.736 4.346 50 10 JIGE Cc1ccc(CNC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc([N+](=O)[O-])c2)CCC3)cc1 1772746092 PCCVCYIBDIXWCG-UHFFFAOYSA-N 460.490 4.205 50 10 JIGE CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@H](c3cnc4c(=N)nc[nH]n34)C[C@H]2O[Si](C(C)C)(C(C)C)O1 1857787998 JTMDISQVVZDUMX-ZCNNSNEGSA-N 493.757 4.323 50 10 JIGE CCOc1ccccc1NC(=O)[C@H](C)Oc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1 1858686987 GAGUIRGEKZZLSP-HNNXBMFYSA-N 466.450 4.405 50 10 JIGE CCCOc1ccc(/C=N\NC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)cc1OCC 1860773110 RBHKURHFDWEATN-MBTHVWNTSA-N 490.585 4.463 50 10 JIGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccc(O)c(O)c2)cc1 1865680418 KAPHQOIQJGUIRH-JOCHJYFZSA-N 452.470 4.177 50 10 JIGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C#N)=C(N)O2 1865680801 WEIMPSZKNSNCPL-LJQANCHMSA-N 457.317 4.430 50 10 JIGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@H](c2ccccc2C(=O)O)C(C#N)=C(N)O3)cc1 1865704406 VAPIDRIJBGRZJO-JOCHJYFZSA-N 464.481 4.464 50 10 JIGE CC(C)CNS(=O)(=O)c1ccc2nc(NC(=O)/C(C#N)=C/c3cccc(Cl)c3)sc2c1 1866130787 MKAGEZPENYTPSU-OVCLIPMQSA-N 474.995 4.430 50 10 JIGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccc(OC(=O)c2ccc(F)cc2)cc1 1873794280 BFEOXKXAFRPERN-WBVOZYBSSA-N 471.529 4.434 50 10 JIGE O=C(N[C@H](CSC[C@H]1C[C@@H]1Br)C(=O)O)OCC1c2ccccc2-c2ccccc21 1881366103 LELIJQGYTGSLAN-CAYVGHNUSA-N 476.392 4.495 50 10 JIGE CN(C[C@@H]1C[C@H]1Br)C(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 1890631711 WXYRRSOJQHWGPX-YCRPNKLZSA-N 469.379 4.300 50 10 JIGE O=C(N[C@@H]1CCC[C@H]1Br)c1ccc(Br)cc1I 2026216043 CWGARJUCZLJQGD-MWLCHTKSSA-N 472.946 4.100 50 10 JIGE O=C(NCC[C@H](Br)C1CC1)c1cc(I)ccc1Br 2029913064 ZHYFODGXBBBIEL-NSHDSACASA-N 486.973 4.347 50 10 JIGE O=C(NC1(CCBr)CCC1)c1ccc(Br)cc1I 2086139673 RUIIRZKORCUQSH-UHFFFAOYSA-N 486.973 4.491 50 10 JIGE O=C(c1cc(Br)cc(Br)c1)N1CC[C@@H]2[C@H](CBr)[C@@H]2C1 2093136965 GPNOWVBZTFOHMS-FRRDWIJNSA-N 451.984 4.315 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@@H](Cl)CC12CCC2 2099383416 OWNBAUKEOFITKM-VIFPVBQESA-N 454.533 4.430 50 10 JIGE O=C(c1scc(Br)c1Br)N1CCC[C@H](OCCBr)C1 2113860008 YJRDBMFITMIQHH-QMMMGPOBSA-N 476.028 4.289 50 10 JIGE CN([C@@H]1CC(C)(C)[C@@H]1OCc1ccccc1)S(=O)(=O)CCC(F)(F)CBr 2123363554 UTVSWKGIERQRJS-HZPDHXFCSA-N 454.377 4.052 50 10 JIGE COc1cc([C@@H](Br)c2cn(C)nc2Br)c(OC)cc1Br 2173182706 MBYCRNLTRGWEHS-GFCCVEGCSA-N 468.971 4.447 50 10 JIGE C[C@@H](CCN(C)S(=O)(=O)c1cc(CBr)sc1Br)C(F)F 2179774093 CAVKJWJFMBODHP-ZETCQYMHSA-N 455.184 4.317 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OC2(c3ccccc3)COC2)C1 2272886842 RDHFLSAFHKNMHE-IBGZPJMESA-N 473.351 4.133 50 10 JIGE CCc1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)NCc2ccccc2)cc1 2296544521 VFFUGBVQZOUMSI-UHFFFAOYSA-N 450.498 4.273 50 10 JIGE COCCO[C@@H]1[C@H](Br)C[C@H]1OCc1cc(I)ccc1Cl 2380342382 GOBFKBQRPSHYHK-MRVWCRGKSA-N 475.548 4.029 50 10 JIGE CCCOc1ccc(C(=O)NNC(=O)CCC(=O)Nc2ccccc2Cl)cc1Br 14647324 IKJDGIXZTRUWSK-UHFFFAOYSA-N 482.762 4.071 50 10 JIGE CCC(=O)Nc1ccc(C(=O)NNC(=O)COc2ccc([C@@H](C)CC)cc2Br)cc1 14832229 NJRSKRCWGDGRBD-AWEZNQCLSA-N 476.371 4.151 50 10 JIGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)c1 38684902 UNBBEFRVIPTCEG-RUZDIDTESA-N 487.468 4.196 50 10 JIGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)c1 38700990 QWZJRPWWZAXRCO-FTJBHMTQSA-N 484.508 4.439 50 10 JIGE CCOc1cc(/C=C2\C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)cc(I)c1O 53287917 SFYODFYNQQAJCW-WLRTZDKTSA-N 484.297 4.404 50 10 JIGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)cc1 58893392 BOTNNARUDOYVNL-PFQJNYNCSA-N 477.561 4.243 50 10 JIGE COc1c(C(=O)N/N=C/c2c(C)nn(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2C)ccc2ccccc12 59146868 KXQOAAQPMMESPL-DHRITJCHSA-N 488.460 4.231 50 10 JIGE N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1I 59166609 DLZSZLZOBCHMKY-DHRITJCHSA-N 497.292 4.211 50 10 JIGE C[C@@H]1CCN(C(=O)c2cc(Br)ccc2I)[C@@H]1CBr 235332900 VSLIKGSRMKMNSR-PRHODGIISA-N 486.973 4.299 50 10 JIGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(F)cc3)n2-c2ccc(OC)cc2)cc1 254395036 FHRLHVALKFIEAG-UHFFFAOYSA-N 491.548 4.333 50 10 JIGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CCC(F)(F)[C@@H](CBr)C1 403909916 OMEVLWNEDDSWJS-LURJTMIESA-N 473.586 4.205 50 10 JIGE CC(=NNC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1O)[C@H]1C[C@H]1c1ccccc1Cl 920372994 LZDAFTHHEMKDPT-RTWAWAEBSA-N 498.004 4.434 50 10 JIGE Cc1ccc(NC(=O)CCC(=O)NN=Cc2ccccc2OCc2ccccc2)c([N+](=O)[O-])c1 1083932440 IBEPRQZHEHNIEV-UHFFFAOYSA-N 460.490 4.351 50 10 JIGE COc1cc(C=NNC(=O)c2cccnc2)cc(Br)c1OCc1ccc(F)cc1 1084119899 YAKIESIAOQECST-UHFFFAOYSA-N 458.287 4.335 50 10 JIGE O=C(Cn1c(C(F)(F)F)nc2ccccc21)NN=C1C(=O)N(Cc2ccccc2)c2ccccc21 1084239690 SASBHSDKUSLTMV-UHFFFAOYSA-N 477.446 4.122 50 10 JIGE CC(=NNC(=O)CNc1ccc(I)cc1)C12CC3CC(CC(C3)C1)C2 1084512331 NCYVLGYVDHYKST-UHFFFAOYSA-N 451.352 4.412 50 10 JIGE Cc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2c1C(=NNC(=O)c1ccc(F)cc1)CCC2 1772745137 RNQILZHUVUEHAR-UHFFFAOYSA-N 463.465 4.221 50 10 JIGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(O)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865714370 IOQOCIWILQUOST-GOSISDBHSA-N 482.294 4.029 50 10 JIGE COc1ccc(OCC(=O)NNC(=O)c2sc(Cc3ccccc3)nc2C)c(C(C)(C)C)c1 1865845929 ZZQMFZPOXRXNFP-UHFFFAOYSA-N 467.591 4.188 50 10 JIGE ClC[C@H](CC1CCOCC1)Nc1ncc(I)cc1Br 1883292940 OQFNHPMBUPRCQB-NSHDSACASA-N 459.553 4.285 50 10 JIGE O=C(NOCCCNC(=O)[C@H]1C[C@@H](Br)C1)OCC1c2ccccc2-c2ccccc21 1883533921 XTZJTCBLGZCAPK-IYBDPMFKSA-N 473.367 4.137 50 10 JIGE C=CCC[C@H](CBr)NS(=O)(=O)c1cc(Br)ccc1Br 1885063371 DCDWQYKQKORFEF-SNVBAGLBSA-N 476.028 4.220 50 10 JIGE Cn1nc(Br)c([C@H](Cl)c2sc(Cl)cc2I)n1 1900954698 VKNIRCWMPQPRNK-YFKPBYRVSA-N 452.930 4.225 50 10 JIGE C[C@@H]1CCCN(c2ncc(I)cc2Br)[C@@H]1CBr 1909173079 ZTCVLWRUIVQEOW-LDYMZIIASA-N 473.978 4.449 50 10 JIGE CN(C[C@H](Br)COCc1ccccc1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 1916347666 JTZWHAAUWJRVKA-INIZCTEOSA-N 486.160 4.410 50 10 JIGE O=C(N[C@@H]1CC[C@H](Br)C1)c1cc(Br)ccc1I 2008594195 MHKFJVGAASKVFP-IONNQARKSA-N 472.946 4.100 50 10 JIGE O=C(Nc1cc(I)ccc1Br)N1CCC(Br)CC1 2043823045 DNURWNRTIKVLGM-UHFFFAOYSA-N 487.961 4.445 50 10 JIGE COc1ccc(Cn2nc(CBr)c(I)c2C(F)(F)F)cc1 2079243548 YIXQTPHUKLIOJC-UHFFFAOYSA-N 475.046 4.458 50 10 JIGE O=C(c1ccc(Br)cc1Br)N1C[C@@H]2[C@@H](CBr)C[C@H]2C1 2117690526 SPJGQVRJRORNHB-VDDIYKPWSA-N 451.984 4.315 50 10 JIGE C[C@@H](CCCCCI)NC(=O)c1ccc(I)c(O)c1 2117895180 PSHJNGSHPWTQGV-JTQLQIEISA-N 487.119 4.111 50 10 JIGE CC1(C)C[C@@H](N(Cc2ccccc2)S(=O)(=O)c2ccc(CCBr)s2)CO1 2123237209 NOILOZUVERJRQE-MRXNPFEDSA-N 458.443 4.444 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@@H](Cl)CC2(CC2)C1 2142281630 SEIYTBNPCHGWPI-JTQLQIEISA-N 454.533 4.287 50 10 JIGE CN(C[C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(CBr)ccc1Cl 2179792304 DTUBXAVASKIDNB-SFHVURJKSA-N 471.848 4.378 50 10 JIGE CCN(C[C@](C)(CI)OCC1CC(OC(F)F)C1)C(=O)OC(C)(C)C 2222518363 MWRLTFJUJLSJGC-FVKWTLKZSA-N 477.330 4.472 50 10 JIGE CN(C[C@@H]1C[C@@H]1Br)C(=O)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229135687 XNNJRESWIYIKTJ-CWRNSKLLSA-N 490.236 4.127 50 10 JIGE N#CC(=Cc1cccn1-c1ccc(Br)cc1)C1=NN(c2ccccc2)[C@H](N)[C@@H]1C#N 2313545786 FOQXPDSDGJLLSQ-GGAORHGYSA-N 457.335 4.448 50 10 JIGE COc1ccccc1NC(=O)C(C#N)=Cc1c(Oc2ccccc2)nc2c(C)cccn2c1=O 2314532875 NQWKTSPCLBXLGI-UHFFFAOYSA-N 452.470 4.350 50 10 JIGE CCN(CC)Cc1ccc(C=NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 2325903388 KAZVVTGWSJFBAI-ROUUACIJSA-N 479.650 4.136 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1C[C@@H]2CC(Br)C[C@H]2C1 2340056569 GERMKDVQYPHHIK-IUCAKERBSA-N 454.533 4.190 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N[C@H]1CC[C@@H]2C[C@]12CBr 2360163753 OBXYMEPKUWRNHW-RIEGTJTDSA-N 466.011 4.434 50 10 JIGE CC[C@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1 10296180 OQRVVZWXLGJFGG-DLBZAZTESA-N 465.575 4.120 50 10 JIGE O=C(COc1ccc(-c2ccccc2)cc1)NNC(=O)COc1ccc(Br)cc1Cl 13981633 LAQNPQYEHHBUEG-UHFFFAOYSA-N 489.753 4.375 50 10 JIGE C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)COc1ccc(Br)cc1 14038693 IIBASQNAEVRTEA-MRXNPFEDSA-N 469.335 4.110 50 10 JIGE N#CC1=C(N)OC2=C([C@@H]1c1ccc(O)cc1)S(=O)(=O)N(Cc1ccccc1F)c1ccccc12 20558518 ASCYRESBUMVMAF-JOCHJYFZSA-N 475.501 4.058 50 10 JIGE CCCCOc1ccccc1/C=N/NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C)cc1 22001332 RIAKKEJFFYJEFY-OBSKASRASA-N 493.629 4.214 50 10 JIGE COc1ccccc1/C(C#N)=C\c1ccc(OC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)cc1 31900693 YGSBJIGVTASNGF-JFPYRBRCSA-N 452.466 4.349 50 10 JIGE COc1cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C)o2)cc(OC)c1OC 38659203 SKVKSWNNNBXTNM-JOCHJYFZSA-N 462.458 4.051 50 10 JIGE COc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2cccc(OC)c2)cc1 39858583 SDAGOUPJLJAHSF-JXAWBTAJSA-N 482.496 4.358 50 10 JIGE Nc1c(NCCC2=CCCCC2)ncnc1NNC(=O)COc1ccc(Cl)cc1Cl 40756087 IKOBMMSNBYKQCI-UHFFFAOYSA-N 451.358 4.190 50 10 JIGE COc1ccc2nc(Nc3ncnc(NNC(=O)c4cccc5ccccc45)c3N)sc2c1 40784267 MUHPZINKUAMJCE-UHFFFAOYSA-N 457.519 4.331 50 10 JIGE COc1cc(/C=N/NC(=O)CC[C@@H](O)c2ccccc2)c([N+](=O)[O-])cc1OCc1ccccc1 58887346 LKMXRGWPZAHTFC-XDEFOSFOSA-N 463.490 4.146 50 10 JIGE Nn1c(SCCCC(=O)N/N=C/c2cccc(Oc3ccccc3)c2)nnc1-c1ccccc1O 58987366 UFLXUSVNNZPMEY-WPWMEQJKSA-N 488.573 4.179 50 10 JIGE C=CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OC)c2)C1=O 101231069 KHPLPWPEQRTOAL-HZHRSRAPSA-N 450.498 4.326 50 10 JIGE CCCCOC(=O)c1ccccc1NC(=O)/C(C#N)=C\NC1CCN(Cc2ccccc2)CC1 217241124 PNDUGXZGFXYEGT-QOCHGBHMSA-N 460.578 4.244 50 10 JIGE CC(=NNC(=O)CNc1ccc(I)cc1C)c1ccc(Br)cc1 252461059 KGGISHXXTGIRDN-UHFFFAOYSA-N 486.151 4.314 50 10 JIGE COc1ccc(-n2c(SCC(=O)NN=C(C)c3ccco3)nnc2-c2ccc(C)cc2)cc1 254485629 ILWRQUMHMYXUMD-UHFFFAOYSA-N 461.547 4.477 50 10 JIGE CCOC(=O)CC1CCN(C(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)CC1 914607638 AEMQPKCIKJBYBG-HMMYKYKNSA-N 479.968 4.216 50 10 JIGE COc1cc(C=NNC(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)cc(OC)c1OC 1082753833 OWHJNIXWSAPQKY-UHFFFAOYSA-N 467.909 4.382 50 10 JIGE C/C(=C/C(=O)NNC(=O)COc1ccc(Br)cc1)c1cccc(C(F)(F)F)c1 1521302188 VRWVJNOYERIWFU-XFXZXTDPSA-N 457.246 4.098 50 10 JIGE O=C(O)CCC(=O)NN=Cc1nc(-c2ccccc2Cl)c2cc(Br)ccc2n1 1772742816 FGLLBAQEVFAJAV-UHFFFAOYSA-N 461.703 4.028 50 10 JIGE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1cc(OC)c(OC)c(OC)c1)C(C#N)=C(N)O2 1865693339 VAVBGYSGXBJQJP-HSZRJFAPSA-N 474.561 4.355 50 10 JIGE CC[C@@H](NC(=O)c1cc(-c2cc(F)ccc2F)n(C)n1)C(=O)Nc1ccc(SC#N)cc1 1867103222 LJSXZUHBWWSGNQ-GOSISDBHSA-N 455.490 4.086 50 10 JIGE C[C@@H](Cl)[C@@H](NC(=O)c1ccc(I)c(Br)c1)C(F)(F)F 1882638525 GTERRRIRSHUNEB-MLUIRONXSA-N 470.454 4.342 50 10 JIGE CC(C)[C@@H](CI)NC(=O)c1c(Br)cccc1Br 1945332662 GNKLMJDTBRJJMT-SNVBAGLBSA-N 474.962 4.401 50 10 JIGE CC(C)[C@@H](Br)C(=O)NCCCONC(=O)OCC1c2ccccc2-c2ccccc21 1954646104 KKARNSGLXQUXBG-OAQYLSRUSA-N 475.383 4.383 50 10 JIGE CCOC(=O)Cc1c(I)cc(CBr)cc1OC(F)(F)F 2055272018 FMJCPINOMDRKIX-UHFFFAOYSA-N 467.019 4.190 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H](Br)[C@H](C2CC2)C1 2090683309 AOJSTGRXPSQDOW-CMPLNLGQSA-N 498.984 4.299 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CC2(CC2)C[C@H]1CCl 2099153265 DYHLTMBQLSUMQA-JTQLQIEISA-N 454.533 4.287 50 10 JIGE O=C(N[C@@H]1C[C@H](CBr)[C@@H]2C[C@H]12)c1cc(I)ccc1Br 2110548836 JXTMBRHTQWVJSN-ZRPKBAQZSA-N 498.984 4.203 50 10 JIGE Cc1nc(NCCSSCCNC(=O)OC(C)(C)C)c([N+](=O)[O-])cc1Br 2125296142 HQTXETACMPXLSY-UHFFFAOYSA-N 467.411 4.379 50 10 JIGE CC[C@@H]1CN(C(=O)c2ccc(I)c(Br)c2)C[C@@H]1CCl 2140770686 LBYUDKFPGURMNP-KOLCDFICSA-N 456.549 4.391 50 10 JIGE O=C(Cc1ccccc1I)N[C@@H]1CCCC[C@@H]1CCBr 2146715905 RCOCWAKLQDFZNL-IUODEOHRSA-N 450.158 4.294 50 10 JIGE COc1cc(Br)c([C@H](Br)c2cc(Br)n(C)n2)cc1OC 2150479217 UDQQGJGDNSXLNF-ZDUSSCGKSA-N 468.971 4.447 50 10 JIGE CC1(C)C[C@H](N(Cc2ccccc2)S(=O)(=O)c2ccc(CBr)cc2F)CO1 2179786918 HRYYEVRAVJDAAN-KRWDZBQOSA-N 456.377 4.479 50 10 JIGE Cc1cc(CBr)cc(S(=O)(=O)N(C)C[C@@H]2C[C@@H]2Br)c1Br 2196934078 DGVWGINSNMTXMT-QWRGUYRKSA-N 490.055 4.056 50 10 JIGE O=C(c1c(F)cccc1I)N1CC[C@H]2CC[C@@H](Br)[C@H]1C2 2282791007 BDBNPEVEYGEHPO-GIPNMCIBSA-N 452.105 4.208 50 10 JIGE C[P@]1(=O)C[C@H](Br)[C@H](NC(=O)Cc2cc(Br)cc(Br)c2)C1 2295312097 SZNUAPMVNQXRHP-ZBUHCNDUSA-N 487.954 4.009 50 10 JIGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)C=Cc1ccccc1Cl 2313621100 JRISZBHYTBUMEB-LLVKDONJSA-N 472.781 4.149 50 10 JIGE Cc1ccccc1[C@@H](C(=O)NC1CCCCC1)N(C[C@H]1COc2ccccc2O1)C(=O)CCl 3036182 BQYMVBJPTNUETO-CPJSRVTESA-N 470.997 4.392 50 10 JIGE O=C1c2ccccc2C(=O)N1CC(=O)N(/N=C/c1cccs1)c1nc2ccc(F)cc2s1 9148891 LVHGPNZKGPBALY-BHGWPJFGSA-N 464.503 4.160 50 10 JIGE CCCCCCOc1ccccc1C(=O)NNC(=O)COc1ccc(C(=O)OCCC)cc1 14032716 RTOJKIPBRHSZOL-UHFFFAOYSA-N 456.539 4.053 50 10 JIGE CCCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(NC(=O)C(C)C)cc1 14649869 UWJZLVPOSFYTCP-UHFFFAOYSA-N 476.371 4.297 50 10 JIGE O=C(CN1C(=O)/C(=N/NC(=O)c2ccc(-c3ccccc3)cc2)c2ccccc21)Nc1ccccc1 15776924 OKLGLPBGJKBZMO-TVKQRKNISA-N 474.520 4.473 50 10 JIGE COc1ccc(/C(C)=N/NC(=O)COc2c(Br)cc(C)cc2Br)cc1 20072704 AQTXMOAXZJGBIZ-CIAFOILYSA-N 470.161 4.448 50 10 JIGE O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N/N=C/c1cc(Br)ccc1O 59202501 RRPWTFDYNBYUBS-QPSGOUHRSA-N 478.246 4.324 50 10 JIGE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(OC)cc2)cc1 252605165 GGUVQVXSRGOUOX-LPEPVVABSA-N 470.573 4.463 50 10 JIGE O=C(CN1C[C@@H](c2ccccc2)CC1=O)NN=Cc1cn(Cc2ccccc2F)c2ccccc12 254348834 JXWYWMXEZNPMCJ-QFIPXVFZSA-N 468.532 4.295 50 10 JIGE C[C@@H]1CN(Cc2ccccc2)C[C@@]1(C)CNS(=O)(=O)c1ccc(CBr)cc1 379947567 DHKHOFANAOGDTL-DYESRHJHSA-N 451.430 4.018 50 10 JIGE C[C@@H]1C[C@H](CBr)CN(S(=O)(=O)c2cc(Cl)c(Br)s2)C1 398835633 GYTQPVHHOKJZFX-HTQZYQBOSA-N 451.633 4.206 50 10 JIGE C[C@@H](Br)[C@H]1CCN(C(=O)c2ccc(I)c(Br)c2)C1 721605957 UQFSIFGARTTXPW-SCZZXKLOSA-N 486.973 4.299 50 10 JIGE O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)NN=Cc1c(O)ccc2ccccc12 1084069402 ZWPNFHLBGBKXOR-UHFFFAOYSA-N 480.553 4.431 50 10 JIGE Cc1cc(NC(=O)NN=Cc2cc(Br)c(N3CCOCC3)o2)ccc1Br 1084113262 LJWTVKFDNBVRBG-UHFFFAOYSA-N 486.164 4.105 50 10 JIGE C#C[C@@H](NC(=O)NNC(=O)c1ccc(Br)cc1Cl)c1ccc(Cl)cc1F 1312937222 MILNTSPTMYBGSM-OAHLLOKOSA-N 459.102 4.214 50 10 JIGE C#CC[C@]1(C(=O)NNc2ccc(Cl)cc2Br)CCCN1C(=O)OC(C)(C)C 1633950121 GJMPUEDOGOQWOR-LJQANCHMSA-N 456.768 4.339 50 10 JIGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccccc2SCC(F)(F)F)cc1 1672601749 ZMNYGRWHRIVPOC-ZDUSSCGKSA-N 455.458 4.164 50 10 JIGE COc1cc(C=NNC(=O)CCCNC(=O)c2ccccc2Cl)ccc1OC(=O)c1ccccc1 1772719662 JXFMYMHQTUVAPI-UHFFFAOYSA-N 493.947 4.228 50 10 JIGE COc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)Nc3cccc([N+](=O)[O-])c3)c(C)c21 1772746019 NWMYWHGZFDDWSE-UHFFFAOYSA-N 462.462 4.228 50 10 JIGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@H](c2ccc(O)c(O)c2)C(C#N)=C(N)O3)cc1 1865680640 QSGBBIUBVSTCBG-HSZRJFAPSA-N 484.487 4.375 50 10 JIGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C#N)=C(N)O2 1865680667 ROIWOJXSALOPLE-LJQANCHMSA-N 467.323 4.217 50 10 JIGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@H](c2ccc(O)cc2O)C(C#N)=C(N)O3)cc1 1865681798 XFBVDMCXTLIKFX-HSZRJFAPSA-N 484.487 4.375 50 10 JIGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OC)cc2OC)cc1 1865707809 GVZRREHEERDIGA-SFHVURJKSA-N 472.423 4.135 50 10 JIGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(O)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865715070 VANAXUDCJRTIFI-IBGZPJMESA-N 469.860 4.118 50 10 JIGE COCCOc1ccc(/C=C(\C#N)C(=O)NCCc2nc(-c3ccc(OC)cc3)cs2)cc1 1866215429 WKVXDYJYMQBLAJ-HMMYKYKNSA-N 463.559 4.110 50 10 JIGE O=C(c1ccc(F)cc1I)N1C[C@H](CBr)C2(CCC2)C1 1914491275 HMLIXVIUULYGFM-JTQLQIEISA-N 452.105 4.068 50 10 JIGE Brc1ccc([C@H](Br)Cc2ncc[nH]2)c(I)c1 1995286151 PNWHYGSGKUEOCF-SECBINFHSA-N 455.919 4.456 50 10 JIGE C[P@]1(=O)C[C@@H](Br)[C@H](NC(=O)c2cc(Br)sc2Br)C1 2057665097 FYSFLKSSMYGUPR-TXLFOSJXSA-N 479.956 4.142 50 10 JIGE COc1ccccc1Cn1nc(CBr)c(I)c1C(F)(F)F 2079245930 RWLFTPWJQLIZAH-UHFFFAOYSA-N 475.046 4.458 50 10 JIGE O=C(c1cc(Br)ccc1Br)N1CC2(CC(CBr)C2)C1 2129955116 SAURIKVEPRVAGG-UHFFFAOYSA-N 451.984 4.459 50 10 JIGE C=C[C@@]1(CBr)COCCN1C(=O)c1csc(Br)c1Br 2135112825 VQOLTNJQARKXKC-GFCCVEGCSA-N 474.012 4.065 50 10 JIGE C[C@H]1CN(Cc2ccccc2)CCN(S(=O)(=O)c2ccc(Br)c(CCl)c2)C1 2144830934 VHOWTPAHSJTQCS-INIZCTEOSA-N 471.848 4.331 50 10 JIGE O=S(=O)(c1cc(Cl)c(Br)s1)N1C[C@H](Br)C2(CCCC2)C1 2174361911 DRMIZECWGWGAKS-VIFPVBQESA-N 463.644 4.492 50 10 JIGE Cc1cc(CBr)cc(S(=O)(=O)N2CCC(=CBr)C2)c1Br 2179825518 IBDZSPMQMGOJHY-UHFFFAOYSA-N 488.039 4.326 50 10 JIGE BrC[C@@]12CCO[C@@H]1CN(Cc1cccc(Br)c1Br)C2 2278945035 GLJNTVZNJFPJLZ-TZMCWYRMSA-N 454.000 4.197 50 10 JIGE Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C=C(C#N)C(=O)Nc1ccc2c(c1)OCCO2 2297382493 JVXHPBDAPAHGCY-UHFFFAOYSA-N 452.873 4.349 50 10 JIGE CCOC(=O)c1cc(NC=C2C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)ccc1Cl 2297465592 IMIPJHAJDGKQHB-UHFFFAOYSA-N 463.921 4.264 50 10 JIGE O=C(C=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)NNC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 2314477244 DCXDMVIFFMZQCN-UHFFFAOYSA-N 488.412 4.497 50 10 JIGE Cc1sc2ncn(CC(=O)NNC(=O)C=Cc3ccc(C(C)C)cc3)c(=O)c2c1-c1ccccc1 2325890859 MYTWMXJRDAUUQI-UHFFFAOYSA-N 486.597 4.418 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1[C@H]2CC[C@H](C2)[C@H]1CBr 2334380312 BNQDFRBSYAFILJ-DFAYQTQMSA-N 454.533 4.333 50 10 JIGE Cl[C@@H]1[C@H](NCc2ccc(I)c(Br)c2)COC12CCC2 2349857543 NZVOYXZQANJKON-CHWSQXEVSA-N 456.549 4.072 50 10 JIGE CCN(C[C@](C)(CI)OCc1cnc(OC)c(F)c1)C(=O)OC(C)(C)C 2350057971 LHSNJDGCHWAJDW-SFHVURJKSA-N 482.334 4.197 50 10 JIGE Clc1ccc(CN2C[C@H](Br)C[C@@]3(CCCO3)C2)cc1I 2362380323 RFKQYIOOAUAOIL-DOMZBBRYSA-N 470.576 4.463 50 10 JIGE CN(C1(CBr)CCCCC1)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364205416 LENILGWTRNFLEV-UHFFFAOYSA-N 499.471 4.202 50 10 JIGE CN([C@@H]1CCCCC[C@@H]1Cl)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364213125 FGHVPWNGDVVDEZ-VQTJNVASSA-N 455.020 4.045 50 10 JIGE CC[C@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)C(c2ccccc2)c2ccccc2)cc1 10295316 VLYISDGVMNDZKS-SFHVURJKSA-N 461.587 4.332 50 10 JIGE CCOc1ccc(NC(=O)CCC(=O)NNC(=O)[C@@H](CC)Oc2ccccc2[C@H](C)CC)cc1 10683397 YJXTUORXZYONGR-XMSQKQJNSA-N 469.582 4.323 50 10 JIGE O=C(CCc1nc(-c2ccncc2)no1)NNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 14336787 XUZXGOBNCUUFEG-UHFFFAOYSA-N 498.930 4.394 50 10 JIGE CCc1ccccc1Nc1ncnc(NNC(=O)c2ccccc2Br)c1[N+](=O)[O-] 40587115 UVDJMLOFUWCIQO-UHFFFAOYSA-N 457.288 4.210 50 10 JIGE COc1ccccc1OCC(=O)N/N=C/c1ccc(OCc2ccccc2Cl)c(OC)c1 40911096 JTEVQWQVMLTCOO-VULFUBBASA-N 454.910 4.465 50 10 JIGE C/C(=N/NC(=O)c1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1)c1ccccc1O 100063415 YVRXCNXWCBMUAQ-XYGWBWBKSA-N 471.966 4.166 50 10 JIGE CC(=O)OCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C1=O 101341108 UXDVOASRIIEIQD-MHWRWJLKSA-N 459.285 4.409 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N(CCBr)C(C)C)cc1Br 158637718 HQMSQAMHUVHAHX-UHFFFAOYSA-N 478.044 4.314 50 10 JIGE CCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c([N+](=O)[O-])c2)C1=O 214216149 RGZGMCUIPOBKII-BKUYFWCQSA-N 497.511 4.458 50 10 JIGE Cn1ccnc1CCOc1c(Br)cc(CBr)cc1Br 236085454 VTRPRFHWENJXCT-UHFFFAOYSA-N 452.972 4.462 50 10 JIGE O=C(CNC(=O)c1cccc2ccccc12)NN=Cc1ccc(OC(=O)/C=C\c2ccccc2)cc1 254632584 XPLKVBISINLSMJ-NJVCIWQQSA-N 477.520 4.339 50 10 JIGE C[C@H]1CN(C(=O)c2cc(Br)ccc2I)C[C@@H](C)[C@@H]1Cl 688089045 YLKHGIXRRBJXEM-WOFXILAISA-N 456.549 4.389 50 10 JIGE CC(C)(C)OC(=O)N[C@@H](CCC(=O)O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 725328640 MOCHSAKHJDMCKO-FQEVSTJZSA-N 471.670 4.321 50 10 JIGE COc1cccc(C(C)=NNC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)c1 725428423 OBHGNLPWWIIBRQ-UHFFFAOYSA-N 485.993 4.393 50 10 JIGE CC(=NNC(=O)c1cn(C)c2ccccc12)c1ccc(NC(=O)C[C@H]2Nc3ccccc3NC2=O)cc1 725841590 FPXHNAVNYZQORD-XMMPIXPASA-N 494.555 4.094 50 10 JIGE N#CCCn1cc(/C=C(\C#N)C(=O)NCCc2ccc(OC(F)F)cc2)c(-c2ccccc2)n1 914463405 AUPZLOJGSZSKFX-HMMYKYKNSA-N 461.472 4.331 50 10 JIGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)NN=Cc1cnn(C(C)C)c1 1083912951 KQXNRFUGKNZWMC-INIZCTEOSA-N 487.033 4.138 50 10 JIGE COc1ccc(COC(=O)NN=Cc2cc(Br)cc(Br)c2O)cc1 1084040192 AFWWFTJRRSDVSD-UHFFFAOYSA-N 458.106 4.186 50 10 JIGE COc1cc(C=NNC(=O)c2cc3ccccc3o2)c(Br)c(Br)c1O 1084072791 FNTQVGPTJPIALW-UHFFFAOYSA-N 468.101 4.436 50 10 JIGE Cc1c(C(=O)Nc2ccc(F)cc2)oc2c1C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772746860 HSXLUTKHEVTHFR-UHFFFAOYSA-N 464.453 4.287 50 10 JIGE COC(=O)c1ccccc1N(C)C(=O)c1oc2c(c1C)C(=NNC(=O)c1cccc(OC)c1)CCC2 1772750108 UITZVGKFFAKGPU-UHFFFAOYSA-N 489.528 4.130 50 10 JIGE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1866007396 NITUAUJYKJYGNW-IBGZPJMESA-N 455.536 4.225 50 10 JIGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C[C@H]2CC(=O)c3ccccc32)cc1 1867235994 RZLPTGCNRVJUKC-KOSHJBKYSA-N 485.565 4.392 50 10 JIGE CCn1nc(C)c(Br)c1CN(C)C[C@H](Br)COCc1ccccc1 1916366555 KRSVYQCZCKOLPB-INIZCTEOSA-N 459.226 4.386 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CCC[C@H]1CBr 2026221088 IWAQHJVYKFGBJS-VIFPVBQESA-N 472.946 4.053 50 10 JIGE CN([C@@H](CCBr)C(F)F)S(=O)(=O)c1cc(Cl)c(Br)s1 2122008274 GTTGEROLSTUGOE-LURJTMIESA-N 461.575 4.203 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)NC23CC(CBr)(C2)C3)cc1Br 2151182298 NPMZNTLTZVOITC-UHFFFAOYSA-N 488.039 4.116 50 10 JIGE C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1S(=O)(=O)c1ccc(CBr)cc1 2163058307 JMBIJYPEKAAMPE-PBHICJAKSA-N 461.422 4.038 50 10 JIGE Cc1ccc(CBr)cc1S(=O)(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 2179786891 HKQVHXRBFWLZQQ-HXUWFJFHSA-N 451.430 4.175 50 10 JIGE C[C@H]1CCN(Cc2ccccc2)CCN1S(=O)(=O)c1cc(CBr)ccc1F 2179789490 RFJVAHCNKMAYOQ-INIZCTEOSA-N 455.393 4.006 50 10 JIGE CC1(C)CN(Cc2ccccc2)CCN1S(=O)(=O)c1ccc(F)c(CBr)c1 2179792941 MMLXWMCGAREVRD-UHFFFAOYSA-N 455.393 4.006 50 10 JIGE C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)N(S(=O)(=O)c2ccccc2CBr)C1 2179809037 PHWTVAQEXFEGBH-QZTJIDSGSA-N 451.430 4.113 50 10 JIGE O=S(=O)(N[C@H]1C[C@H]2CC[C@H]1[C@H](Br)C2)c1cc(Cl)c(Br)s1 2204565384 RDGZMXGAVCTJDM-OORONAJNSA-N 463.644 4.394 50 10 JIGE C[C@H]1C[C@H](CBr)CN1C(=O)Cc1cc(Br)cc(Br)c1 2277923711 FZUXEZNDUUSFQM-GXSJLCMTSA-N 454.000 4.386 50 10 JIGE BrC[C@H]1[C@@H]2C[C@H]1CN2Cc1ccc(I)c(Br)c1 2306219206 JTIGGIZWTZSELI-CWSCBRNRSA-N 470.974 4.269 50 10 JIGE COc1ccc(Cc2nc3ccc(C(=O)NN=Cc4c[nH]c5ccccc45)cc3[nH]2)cc1OC 2323720458 YWLHSMJVFMOMSV-UHFFFAOYSA-N 453.502 4.416 50 10 JIGE CC(C)(CI)CN1C[C@H](CCNC(=O)C(F)(F)F)c2ccccc21 2326666547 MTKXXLFBSBAACV-LBPRGKRZSA-N 454.274 4.120 50 10 JIGE CC(C)(C)OC(=O)NCC[C@H]1CCN(C(=O)[C@H]2C[C@@H](Br)C2)[C@H](C(F)(F)F)C1 2362758798 YZFLAWMXSMDDQN-FQUUOJAGSA-N 457.331 4.244 50 10 JIGE CC1(C)C[C@@](C)(CBr)CN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364201487 GXFYVRQUHOYCSD-QFIPXVFZSA-N 499.471 4.058 50 10 JIGE CN(Cc1c(Br)c(Br)nn1C)c1cncc(F)c1CBr 2364334958 AWQYQHDUGOSIRP-UHFFFAOYSA-N 470.966 4.011 50 10 JIGE COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(Br)cc4)c32)cc(OC)c1OC 9490002 PUGHGANIJMLBJY-KRWDZBQOSA-N 483.322 4.083 50 10 JIGE CC[C@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 10295525 DHHXWTLVDYSQMF-STQMWFEESA-N 484.405 4.274 50 10 JIGE CCCCOc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1Br 14041282 FFKCPQBPVHAWPV-UHFFFAOYSA-N 474.355 4.051 50 10 JIGE O=C(NN(C(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccc([N+](=O)[O-])cc1)c1ccccc1 21487047 XHNUZENOEKEKHS-UHFFFAOYSA-N 485.250 4.257 50 10 JIGE Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)NCCc2ccccc2)c1 35549708 PKZAMBMGRMDPPU-FXBPSFAMSA-N 450.498 4.061 50 10 JIGE Cc1c(C(=O)NCc2ccccc2Cl)oc2c1/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 40814536 DBCFZMPQIGDCSD-VFCFBJKWSA-N 494.935 4.479 50 10 JIGE CC1(C)CN(C(=O)c2cc(Br)sc2Br)C[C@@H](CBr)O1 232793014 MQGPXPLRUTXXQV-SSDOTTSWSA-N 476.028 4.288 50 10 JIGE FC(F)c1cc(I)nc(CBr)c1I 238686230 OWZZJKPJNYGJEH-UHFFFAOYSA-N 473.824 4.123 50 10 JIGE CCn1c(SCC(=O)NN=C/C(Cl)=C/c2ccccc2)nnc1-c1ccc(OC)cc1 254493724 UJWRXCGZIRTHGW-OTRSHDSNSA-N 455.971 4.448 50 10 JIGE CCC(C)(C)C(=O)O[C@H]1C[C@H](C)[C@H](Cl)C2=CC(=O)[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21 605693913 KKSVIGYDMGAPMK-PYUQNGMXSA-N 469.018 4.206 50 10 JIGE in-vitro Cc1nc(CC(CBr)(CBr)c2ccccc2Br)n(C)n1 689563781 MPBZUHICAFKHLI-UHFFFAOYSA-N 466.015 4.156 50 10 JIGE C[C@]1(CBr)CCCN1C(=O)c1ccc(I)c(Br)c1 723011785 HNPDHQSOXQSPEL-CYBMUJFWSA-N 486.973 4.443 50 10 JIGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)NN=Cc1ccc(F)c(F)c1 1083982114 IIBPYPMDXNEYEG-UHFFFAOYSA-N 476.940 4.250 50 10 JIGE Cc1nc2ccc(Cl)cn2c1C(=O)NN=Cc1ccc(OCC(=O)Nc2ccccc2)cc1 1084486792 XWLKZPSVMAHDAL-UHFFFAOYSA-N 461.909 4.078 50 10 JIGE O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)NN=Cc1cccs1 1084627602 NSKVIXWEHNXHDO-UHFFFAOYSA-N 468.387 4.401 50 10 JIGE C=CCn1ncc2ccc(NC(=O)NNC(=O)c3ccccc3OCc3ccc(F)cc3)cc21 1220204692 XIGIRVNFKBVVKF-UHFFFAOYSA-N 459.481 4.407 50 10 JIGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccccc1[N+](=O)[O-])C(C#N)=C(N)O2 1865715204 ZBSUXKKHONTBCO-IBGZPJMESA-N 453.861 4.413 50 10 JIGE CCc1cccc(C)c1N1C[C@H](C(=O)NNC(=O)c2ccc(-c3ccc(Cl)cc3)nc2C)CC1=O 1865755518 CDHUVCIZZPETPP-HXUWFJFHSA-N 490.991 4.395 50 10 JIGE CCN(c1ccccc1)S(=O)(=O)c1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC)c(OC)c1 1866130384 RLRXPGOBZARRET-CAPFRKAQSA-N 491.569 4.465 50 10 JIGE C[C@@H](c1ccncc1Br)[C@H](Br)c1cnn(C)c1I 1924048071 RQBCZXOSIGNQFA-CPCISQLKSA-N 484.961 4.422 50 10 JIGE COC[C@](C)(CBr)CNC(=O)c1scc(Br)c1Br 1926970044 VGCJQBYYJHSXTB-LLVKDONJSA-N 464.017 4.051 50 10 JIGE O=C(c1scc(Br)c1Br)N1C[C@H](Br)[C@@H](Br)C1 1990922869 CRKCOMZSDJIBOA-WHFBIAKZSA-N 496.844 4.256 50 10 JIGE COCCN(Cc1ccccc1)S(=O)(=O)c1ccc(CBr)cc1Br 2009657907 HJPXESQYOJDRDU-UHFFFAOYSA-N 477.218 4.181 50 10 JIGE FC(F)(F)c1cnc(N2C[C@@H]3CC[C@H](Br)[C@H]3C2)c(I)c1 2144219548 FWOLJPJLLCOLTC-HGNGGELXSA-N 461.063 4.315 50 10 JIGE O=S(=O)(c1cc(CCl)oc1Br)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 2163341546 LNWNXJCJLUBELJ-LJQANCHMSA-N 473.820 4.068 50 10 JIGE CN([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(F)c(Cl)c(CBr)c1 2179861215 DRXMIPZHHOSOPU-INIZCTEOSA-N 475.811 4.269 50 10 JIGE CC(C)(C)OC(=O)NC[C@@H]1CC[S@](=O)(=NCCCCCI)C1(C)C 2214710882 DKAVNHKQHUWPMF-LFPIHBKWSA-N 472.433 4.383 50 10 JIGE COC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(C(C)C)cc2)sc2c1[C@H](C(=O)OC)CC2 2296004753 SPPUQVRBYLNROD-QGZVFWFLSA-N 452.532 4.407 50 10 JIGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc([N+](=O)[O-])s2)cc1 2297708428 GXFGMNIKYJSWQW-UHFFFAOYSA-N 491.573 4.424 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1C[C@H]2CC[C@H]1[C@H](Br)C2 2349957907 WIGQHOSVGREKSM-KDDOJWQBSA-N 454.533 4.333 50 10 JIGE CN([C@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]12)S(=O)(=O)c1ccc(CBr)o1 2357091127 HJFJPXSJJNFSSK-NQYYFHDYSA-N 454.386 4.179 50 10 JIGE Clc1ccc(CN2CCO[C@@H]3C[C@H](CBr)C[C@H]32)cc1I 2362367614 DUKPXJUHQXQOGY-KCPJHIHWSA-N 470.576 4.319 50 10 JIGE CC(C)[C@H](Cl)C(C)(C)CN(C)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2366068144 IBXRMEQUBZPSET-IBGZPJMESA-N 457.036 4.004 50 10 JIGE C/C(=N/NC(=O)COc1c(C)cc(Br)cc1Br)c1cccc([N+](=O)[O-])c1 12483357 IBLOKWUYXZVJFX-JAIQZWGSSA-N 485.132 4.347 50 10 JIGE Cc1cccc(C)c1OCC(=O)NNC(=O)COc1ccc(-c2ccccc2)cc1Br 14642102 PZFFYCMUAWCZDQ-UHFFFAOYSA-N 483.362 4.338 50 10 JIGE Cc1cc(Br)cc(C)c1O[C@H](C)C(=O)NNC(=O)c1ccc(OCC(C)C)cc1 14643389 MTUYRJSWHMCFPB-MRXNPFEDSA-N 463.372 4.329 50 10 JIGE N#C/C(C(N)=O)=C1\S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccc(Br)cc1 33389423 PSUIVYJVPOTSTN-TWQQJCIXSA-N 462.756 4.014 50 10 JIGE Cc1cc(C(=O)CO/C(=C(/C#N)c2nnc3n2CCCCC3)C(F)(F)F)c(C)n1C[C@@H]1CCCO1 33774565 VKXAGZBBGRBZBS-UBZKEQBWSA-N 491.514 4.298 50 10 JIGE COc1ccc(OC)c(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccs2)CCC3)c1 40823653 VQIJUCJMPXPCBP-MFKUBSTISA-N 453.520 4.389 50 10 JIGE CCOCCCN(C(=O)CCl)[C@H](C(=O)NC1CCCCC1)c1ccc(OCC)c(OC)c1 97914639 XQVRYCZRCTYWLB-QHCPKHFHSA-N 469.022 4.078 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1[C@H]2CC[C@@H]1CC(Br)C2 160485523 PUPLSJKQQKJZJK-FGWVZKOKSA-N 488.039 4.291 50 10 JIGE COC(=O)c1ccc([C@@H]2Nc3ccc(C(C)=NNC(=O)CC4(C)OCCO4)cc3[C@@H]3C=CC[C@@H]32)cc1 254317352 KCHMRVKCPNKWDT-UFPGJGBJSA-N 489.572 4.293 50 10 JIGE CCCOc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2ccc3c(c2)OCO3)cc1 254482299 MJJFSVPDSFRKMP-YRDAKTLPSA-N 471.513 4.125 50 10 JIGE Cc1cc(C=NNC(=O)c2ccc(O)cc2)c(C)n1-c1ccc(I)cc1 254711003 SDMSBCUJYBFNML-UHFFFAOYSA-N 459.287 4.168 50 10 JIGE O=C(COc1cccc(Br)c1)NN=Cc1ccc(OC(=O)/C=C/c2ccco2)cc1 254875219 RGJXDABYYHMJKU-YCEIELCESA-N 469.291 4.190 50 10 JIGE COc1ccc(NC(=O)C(=O)NN=Cc2cc(C)n(-c3ccc(C)c(C)c3)c2C)cc1Cl 725436427 FAYIRDVCGYCYLC-UHFFFAOYSA-N 452.942 4.462 50 10 JIGE C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12 727723125 MEOOYMZTSDZNJN-ZDUSSCGKSA-N 478.455 4.274 50 10 JIGE CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1 730516304 FGTCMOWDZUQKHH-MRXNPFEDSA-N 462.637 4.110 50 10 JIGE CC(C)(C)c1ccc(C(=O)NNS(=O)(=O)c2csc(-c3cccc(Br)c3)n2)cc1 730766130 XAXGYFXDDNNREC-UHFFFAOYSA-N 494.436 4.493 50 10 JIGE Cc1nc(C)c(CCNC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)s1 731021550 IAVLFPJJBPGJMJ-LDADJPATSA-N 464.982 4.456 50 10 JIGE Cc1c(C(=O)Nc2ccc(Br)cc2)oc2c1C(=NNC(=O)c1ccncc1)CCC2 1772746750 ZINWEVQSYCPCPX-UHFFFAOYSA-N 467.323 4.468 50 10 JIGE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865710218 RAOCUSQOJKICOV-HSZRJFAPSA-N 487.516 4.008 50 10 JIGE CC(C)[C@H](CBr)N(C)c1ncc(I)cc1Br 1902090044 JBJZENNBEMVYIV-JTQLQIEISA-N 461.967 4.304 50 10 JIGE CN(C(=O)c1cc(I)ccc1Br)C1(CBr)CC1 2012608316 UVXJTVSMNAVJPC-UHFFFAOYSA-N 472.946 4.053 50 10 JIGE O=C(CCl)c1cc(C(F)F)c(I)cc1I 2060389323 MMQRWRXCNNRTTM-UHFFFAOYSA-N 456.395 4.255 50 10 JIGE CC1(C)CN(Cc2ccccc2)CCN1S(=O)(=O)c1cc(CCl)oc1Br 2103503539 XFVNCTQJYSLJGF-UHFFFAOYSA-N 461.809 4.066 50 10 JIGE CC(C)(C)OC(=O)NC[C@@H]1CN(C[C@@H](Br)C(F)(F)F)CC[C@H]1C(F)(F)F 2106785579 PPARPWSTCIINIZ-GMTAPVOTSA-N 457.253 4.337 50 10 JIGE C[C@@]12CN(C(=O)c3cc(Br)ccc3I)C[C@@]1(CBr)C2 2109183533 RTPCOIIQARVQBH-KGLIPLIRSA-N 498.984 4.301 50 10 JIGE O=S(=O)(N[C@H]1CC[C@@H](Br)C1)c1c(Cl)cc(Br)cc1Cl 2121472505 FCZWKBKKKYAUGQ-SVRRBLITSA-N 451.995 4.350 50 10 JIGE C[C@H](Br)[C@H]1C[C@H]1NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2125871775 VPRNCIMRFPKBJU-WVBSTYLSSA-N 451.995 4.206 50 10 JIGE O=C(c1cc(I)ccc1F)N1C[C@@H]2CCC[C@@]2(CBr)C1 2169662695 KXZUJPSRDDWOMD-ZUZCIYMTSA-N 452.105 4.068 50 10 JIGE C[C@H]1CN(C(=O)c2cccc(Br)c2Br)C[C@H](CCBr)O1 2179381704 GAMGJSPHNWOYQX-UWVGGRQHSA-N 469.999 4.226 50 10 JIGE Cc1sc(CBr)cc1S(=O)(=O)N1C[C@H]2CCN(Cc3ccccc3)C[C@@H]2C1 2179810267 CSJBWPQVEZEJJD-QZTJIDSGSA-N 469.470 4.094 50 10 JIGE CN(Cc1ccccc1)CC1CCN(S(=O)(=O)c2ccc(CCBr)s2)CC1 2179824268 SPIUAYUWSDRKCW-UHFFFAOYSA-N 471.486 4.218 50 10 JIGE Cc1c(F)cc(CBr)cc1S(=O)(=O)N1CCC[C@H](OCc2ccccc2)C1 2186381556 PWUJQCSKYVUEDC-SFHVURJKSA-N 456.377 4.399 50 10 JIGE CCCN[C@H](c1cc(I)cc2c1OCC2)C1CC(Br)C1 2196881349 SGYOEEZRFWEYDK-QOZQQMKHSA-N 450.158 4.440 50 10 JIGE C#CCOc1cc(Br)c(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OCC 2294175224 DVSOTTOHXMSDQJ-UHFFFAOYSA-N 494.389 4.116 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N[C@@H]1C[C@H](CBr)[C@@H]2C[C@H]12 2295311660 NKVIBSJFVSTMHP-IGJVIKARSA-N 466.011 4.290 50 10 JIGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)C=Cc1ccc(Cl)cc1 2313864539 SWRSAPSOYIGQOP-LLVKDONJSA-N 472.781 4.149 50 10 JIGE Cc1cc(Br)ccc1S(=O)(=O)N[C@@H](CCBr)COCc1ccccc1 2320356481 MZXSWFSZZFDTGO-KRWDZBQOSA-N 491.245 4.406 50 10 JIGE COc1cc(C=C2Oc3cc(OC(=O)C(Cl)Cl)cc(C)c3C2=O)cc(OC)c1OC 2323758513 KRLLLQLJGGEKFQ-UHFFFAOYSA-N 453.274 4.346 50 10 JIGE N#CC(=CNc1ccc(I)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 2325255437 IGNUFWQRHKAOLI-UHFFFAOYSA-N 468.638 4.311 50 10 JIGE COc1ccc(-c2csc(C(C#N)=C(O)CCN3C(=O)c4ccccc4C3=O)n2)cc1OC 2331242373 VBJKPHZDQRSKCR-UHFFFAOYSA-N 461.499 4.306 50 10 JIGE CN([C@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]12)S(=O)(=O)[C@@H]1CC[C@H](CBr)C1 2357092602 YPHYMFOIYALFIP-OLGWUGKESA-N 456.446 4.196 50 10 JIGE COC(=O)/C(C#N)=C\c1ccc(OC(=O)c2ccc(C(=O)C(=O)c3ccccc3)cc2)c(OC)c1 2886761 BQHUKCZXFQCWAA-STZFKDTASA-N 469.449 4.060 50 10 JIGE CCN(CC)c1ccc(C=NNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3OC)c2)cc1 3201140 UYUUPJTVOGKWJA-UHFFFAOYSA-N 480.590 4.106 50 10 JIGE N#CCC(=O)N/N=C(\c1ccccc1)[C@H](c1ccccc1)[C@]1(O)C(=O)Nc2c(Cl)ccc(Cl)c21 5808873 VVSYHJHIYJFJJN-OEQRDBCCSA-N 493.350 4.351 50 10 JIGE CCCC(=O)Nc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Br)cc1 14644340 UKZZXTKBVMNKEM-LBPRGKRZSA-N 482.762 4.070 50 10 JIGE O=C(COc1ccc(Cl)cc1Cl)N/N=C1/C(=O)N(Cc2cccc([N+](=O)[O-])c2)c2ccccc21 59155805 UNCPYRWLEAFJDW-HPNDGRJYSA-N 499.310 4.348 50 10 JIGE CC1(C)CN(C(=O)c2cc(Br)ccc2Br)C[C@H](CBr)O1 164238358 IUWNHSFSIHUIAK-JTQLQIEISA-N 469.999 4.226 50 10 JIGE COc1ccc(OC)c(NC(=O)/C(C#N)=C\N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 217215869 VTTIGFJKSTWDDN-FLFQWRMESA-N 482.584 4.457 50 10 JIGE CC(=O)Nc1ccc(-n2c(C)cc(C=NNC(=O)C(O)(c3ccccc3)c3ccccc3)c2C)cc1 254770663 MNQRXEOAZZJCQC-UHFFFAOYSA-N 480.568 4.439 50 10 JIGE CCCCCn1nc(C(=O)NNC(=O)[C@@H]2C[C@H]2c2cccc3ccccc23)c2ccccc2c1=O 730767620 DMZKXBJJLNCDFO-BJKOFHAPSA-N 468.557 4.305 50 10 JIGE CC(C)(CNC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1)N1CCCCC1 834804924 CKHHWOUAAAUEFZ-HMMYKYKNSA-N 465.001 4.405 50 10 JIGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)ccc1OCc1ccccc1C#N 1083963514 YYMSSKFMYYKNOW-DEOSSOPVSA-N 457.530 4.500 50 10 JIGE CS(=O)(=O)N(CC(=O)NN=Cc1c(Cl)cccc1Cl)c1ccc2c3c(cccc13)CC2 1084284280 HLKKLPSMVIPVDH-UHFFFAOYSA-N 476.385 4.162 50 10 JIGE CCCOc1ccc(C=NNC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)cc1 1084358568 PHXAZWZBGUSWRX-UHFFFAOYSA-N 479.602 4.438 50 10 JIGE Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1C=NNC(=O)COc1ccc(C(C)(C)C)cc1 1084491059 JLMOIQIPFVNKCJ-UHFFFAOYSA-N 494.508 4.132 50 10 JIGE COc1ccc(/C(C#N)=C/c2ccc(OC(=O)[C@@H](C)N3C(=O)c4ccccc4C3=O)cc2)cc1OC 1615099374 PPQNFFRDPRNLRU-HDAKKWKLSA-N 482.492 4.358 50 10 JIGE O=C(CCCN1C(=O)c2ccccc2C1=O)NNc1ccc(OCCOc2ccc(Cl)cc2)cc1 1858080676 NAVGTPYGHYXIMK-UHFFFAOYSA-N 493.947 4.317 50 10 JIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)ccc1O 1865705727 DDZJOTBSQNURHV-QGZVFWFLSA-N 460.387 4.022 50 10 JIGE O=C(N[C@H](CSC[C@@H]1C[C@H]1Br)C(=O)O)OCC1c2ccccc2-c2ccccc21 1877465025 LELIJQGYTGSLAN-CJMONDIMSA-N 476.392 4.495 50 10 JIGE Cc1c(Br)cc(CCl)cc1S(=O)(=O)N1CC(N(C)Cc2ccccc2)C1 1914228420 KGJAEMYESUZFQG-UHFFFAOYSA-N 457.821 4.001 50 10 JIGE CN(C[C@@H](Cl)COCc1ccccc1)C(=O)c1cccc(F)c1I 1916389297 VEXUERXGLFWUJK-CQSZACIVSA-N 461.702 4.327 50 10 JIGE Cc1nc(I)c(I)n1-c1ncc(CCl)cc1Cl 1941545247 MYWTTWOCIXTVIC-UHFFFAOYSA-N 493.901 4.177 50 10 JIGE O=C1c2ccccc2C(=O)N1C[C@@H](Br)CCc1cc(Br)cc2c1OCC2 1994837513 MKAPIMBYJZNPQQ-AWEZNQCLSA-N 479.168 4.376 50 10 JIGE Clc1cc(CBr)cc(I)c1I 2060260700 BOIXCANGZFYSHS-UHFFFAOYSA-N 457.274 4.444 50 10 JIGE C[C@]12CN(C(=O)c3cc(Br)ccc3I)C[C@]1(CBr)C2 2109183534 RTPCOIIQARVQBH-UONOGXRCSA-N 498.984 4.301 50 10 JIGE O=C(N[C@@H]1CC[C@H]2C[C@@]21CCl)c1cc(I)ccc1Br 2132113620 XRTDUXHSHCOEQN-REAQECSSSA-N 454.533 4.191 50 10 JIGE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)c2ccc(CBr)cc2)CC1(C)C 2162590111 YAOYRMLAMOKWQS-OAHLLOKOSA-N 461.422 4.038 50 10 JIGE O=S(=O)(c1ccc(CBr)s1)N1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 2179823602 LLADVMPKXKWMAV-MJGOQNOKSA-N 469.470 4.318 50 10 JIGE I[C@H]1CCCCC[C@@H]1OCCOCCOCCOCc1ccccc1 2220485292 NPGFCBUJYQPQAM-PMACEKPBSA-N 462.368 4.389 50 10 JIGE O=C(NC[C@@H](Br)CBr)c1cc(Br)c(F)cc1Cl 2249338076 YMTZAXVHZBBFJS-YFKPBYRVSA-N 452.343 4.130 50 10 JIGE C[C@@H]1[C@@H](C(F)(F)F)N(CC(C)(C)CI)CCN1C(=O)OC(C)(C)C 2306808602 BOSMFUYKYYNYRB-NEPJUHHUSA-N 464.310 4.320 50 10 JIGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1ccc(C)cc1C(C)(C)C 2314795850 WTFKDXMTFRFVHV-UHFFFAOYSA-N 492.572 4.051 50 10 JIGE COC(C)(C)C1(CO[C@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)CC1 2320552520 QWZIOAJDOOKOOW-IBGZPJMESA-N 467.388 4.413 50 10 JIGE C=CC[C@H](Br)[C@H]1CCN1C(=O)c1ccc(Cl)c(I)c1 2335812141 YPSJKFWOHKUMAS-GXFFZTMASA-N 454.533 4.499 50 10 JIGE CC(C)c1ccc(OCC(=O)NNC(=O)COc2ccccc2C(C)C)c(Br)c1 12580238 KOUXPPNSGDZKQL-UHFFFAOYSA-N 463.372 4.301 50 10 JIGE CC(C)COc1ccc(C(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 14030587 BLPRUEBHGOSMCS-ZDUSSCGKSA-N 484.405 4.131 50 10 JIGE N#C/C(=C\c1ccc(-c2ccc(C(=O)O)cc2)o1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 35517386 CODZGEODXFFPJF-RVDMUPIBSA-N 461.499 4.230 50 10 JIGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCOC)C(=O)C(C#N)=C2C)cc1C 38606104 LCNLKZPOKBUOGU-LFVJCYFKSA-N 496.567 4.485 50 10 JIGE CCc1ccc(OCC(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2OC)cc1 40870045 RVNVTRYADULDMZ-HZHRSRAPSA-N 470.525 4.465 50 10 JIGE Cc1cc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)NCc2ccco2)ccc1Cl 102684287 TVJVJNLNBUFFRH-VBKFSLOCSA-N 460.877 4.265 50 10 JIGE O=S(=O)(N[C@@H]1CCCC[C@@H]1Br)c1cc(Br)ccc1Br 136956525 OGOFDFLFKMKOJN-GXSJLCMTSA-N 476.028 4.196 50 10 JIGE COc1cc(C=NNC(=O)Cn2cnc3sc(C)c(C)c3c2=O)ccc1OCc1ccc(C)cc1 254766109 YECPSQDWCBFCSR-UHFFFAOYSA-N 490.585 4.121 50 10 JIGE C[C@@H](Br)C[C@@H](C)NC(=O)c1ccc(I)c(Br)c1 721595049 SCWWCUSKJZKKIJ-HTQZYQBOSA-N 474.962 4.346 50 10 JIGE O=C(N[C@H](CCBr)C1CCCC1)c1ccc(I)c(O)c1 725038787 ZJRZRLNSBJLTBA-CYBMUJFWSA-N 452.130 4.070 50 10 JIGE N#CCCn1cc(/C=C(/C#N)C(=O)OCC(=O)Nc2c(F)cccc2F)c(-c2ccc(Cl)cc2)n1 782093861 AMVPHVUXPKAAHO-WJDWOHSUSA-N 495.873 4.484 50 10 JIGE Cn1cc([C@@H](Br)c2cc3c(cc2Br)OCCO3)nc1Br 829355652 YZKDJBTVVVRFGF-LBPRGKRZSA-N 466.955 4.201 50 10 JIGE CC1=NN(c2ccccc2)C(=O)[C@@H]1C(=NNC(=O)c1cc(Br)ccc1O)c1ccccc1 1083895651 VCIMQEDCLKMQAN-NRFANRHFSA-N 491.345 4.328 50 10 JIGE COc1ccc(NC(=O)C(=O)NN=Cc2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)cc1 1084375866 ZFUJXOVYFXTISW-UHFFFAOYSA-N 459.333 4.498 50 10 JIGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)c([N+](=O)[O-])cc1OCc1ccccc1 1084641360 LKMXRGWPZAHTFC-JOCHJYFZSA-N 463.490 4.146 50 10 JIGE COC(=O)NN=C(c1ccc(OC)cc1)[C@H](c1ccc(OC)cc1)[C@H]1OC(=O)c2ccccc21 1088700190 ASDUSDVPCQVXER-UPVQGACJSA-N 460.486 4.459 50 10 JIGE Cc1sc(C)c(S(=O)(=O)N[C@@H](CCBr)C(F)(F)F)c1Br 1918529633 PXLLVNOFMFKCLH-ZETCQYMHSA-N 459.147 4.122 50 10 JIGE O=S(=O)(CCCOCc1ccccc1)NC1(C(F)(F)F)CCC(Br)CC1 1924709026 CACBJXAUWGZSFS-UHFFFAOYSA-N 458.340 4.151 50 10 JIGE CN(CCCOCc1ccccc1)S(=O)(=O)c1cc(CBr)oc1Br 2009621981 LRNWPAIDVCHGPV-UHFFFAOYSA-N 481.206 4.164 50 10 JIGE O=C(Cl)c1ccc(I)c(OC(F)(F)F)c1I 2060025081 MFFBVRXHHMTXMG-UHFFFAOYSA-N 476.357 4.173 50 10 JIGE C[C@@H](COC1(CI)CCN(C(=O)OC(C)(C)C)CC1)N1CCCCC1 2066644648 HZHMOKIVLYOIJE-INIZCTEOSA-N 466.404 4.082 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@@H]([S@](C)(=O)=NC(=O)c2ccc(CBr)cc2)C1 2162872921 PAEKAGPXEMBNHP-JWIGPWBQSA-N 459.406 4.219 50 10 JIGE O=C(c1scc(Br)c1Br)N1C[C@H](Br)C2(CCOCC2)C1 2174367929 GMAPOSXDDNTPRM-VIFPVBQESA-N 488.039 4.289 50 10 JIGE CN(C[C@@H]1CCCCN1Cc1ccccc1)S(=O)(=O)c1cccc(CBr)c1 2179808108 DHILHULAVMGEHV-FQEVSTJZSA-N 451.430 4.257 50 10 JIGE CC1(C)OCCO[C@H]1CO[C@@H](CI)c1cccc(Br)c1 2186964905 SWLRZYAMOBEOCN-KBPBESRZSA-N 455.130 4.136 50 10 JIGE O=C(c1cc(I)ccc1F)N1CC[C@@H](CBr)C12CCC2 2190361766 XWGUJHNGBOCTOW-JTQLQIEISA-N 452.105 4.210 50 10 JIGE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)NC[C@H]1C[C@@H](Br)C1 2229108896 CHJQKWZSZYPPPS-IMJJTQAJSA-N 490.236 4.175 50 10 JIGE O=C(c1csc(I)c1)N1C[C@@H]2CCCC[C@@]2(CBr)C1 2230577644 GFAIVYIZVKSXOO-SMDDNHRTSA-N 454.171 4.380 50 10 JIGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCCOC)cc1Cl 2293039304 HUIVOFVGHWHZAR-UHFFFAOYSA-N 450.926 4.261 50 10 JIGE CCOc1cc(C=C(C#N)C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)ccc1O 2297399767 TUDCZQMEGLETKD-UHFFFAOYSA-N 461.440 4.192 50 10 JIGE C=CCc1cc(C=C(C#N)C(=O)N(C)C)cc(Br)c1OCc1ccc2c(c1)OCO2 2313567236 DZYBSYOLVGVZII-UHFFFAOYSA-N 469.335 4.480 50 10 JIGE CCCC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)NNC(=O)c1cc(OC)cc(OC)c1 2313681822 OBMYYGOISNKKLT-UHFFFAOYSA-N 479.562 4.025 50 10 JIGE COc1cc(C=NNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)cc(OC)c1OCc1ccccc1 2328833176 WFACBGJVGSLSRM-QFIPXVFZSA-N 485.581 4.282 50 10 JIGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc(NS(C)(=O)=O)cc3)n2)c(OC)c1 2331385800 JXULUCGJXDDCAQ-UHFFFAOYSA-N 457.533 4.149 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1[C@H]2CC[C@H]1[C@@H](CBr)C2 2340066944 WLRJXWNUWUOCPY-DVYJOKAKSA-N 454.533 4.333 50 10 JIGE COC[C@@]1(CBr)C=CCN1Cc1ccc(Br)cc1Br 2351705828 ADCQCAOTCUCXDU-AWEZNQCLSA-N 454.000 4.364 50 10 JIGE C[C@@H](Br)C[C@H]1COCCN1Cc1cc(I)ccc1Cl 2352414770 YEMWFXBKYRKQJK-MFKMUULPSA-N 458.565 4.319 50 10 JIGE C=CC[C@H](Br)[C@H]1CCN1S(=O)(=O)c1cc(Br)ccc1Br 2360965486 XJOPDPSIQJLBKG-CMPLNLGQSA-N 488.039 4.314 50 10 JIGE O=C(COc1ccc2ccccc2c1)NNC(=O)c1ccc(OCCOc2ccccc2)cc1 14039475 IIDKIDDPCSHEEX-UHFFFAOYSA-N 456.498 4.138 50 10 JIGE CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1 15429882 JYAIWZLAKNQJRG-XMMPIXPASA-N 473.504 4.130 50 10 JIGE COc1cc(/C=C(/C#N)c2ccccc2F)ccc1OC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O 31901770 ROZNATPLMQZAFG-OKSBFYSISA-N 470.456 4.489 50 10 JIGE Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)NNC(=O)c3ccc(Cl)cc3)C2=O)cc1 35649062 HBGQQBZXIXNYTB-QGOAFFKASA-N 474.007 4.091 50 10 JIGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)cc4)ccc32)cc1OC 38658394 KADMXWOXKBKFNJ-SANMLTNESA-N 472.497 4.215 50 10 JIGE COc1ccccc1NC(=O)/C(C#N)=C/c1c(Oc2cccc(C)c2)nc2ccccn2c1=O 39992888 PSSGWYLMVNGLHJ-OBGWFSINSA-N 452.470 4.350 50 10 JIGE COc1cc(/C=N/NC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1 48573212 SQRKBHRKNUBSDX-XODNFHPESA-N 486.355 4.461 50 10 JIGE O=C(N/N=C1\C(=O)N(CCc2ccccc2)c2ccc(Br)cc21)c1ccccc1[N+](=O)[O-] 100473498 BJOXTRBWXUYHEG-DAFNUICNSA-N 493.317 4.081 50 10 JIGE CC1(C)[C@H]2CC[C@@]1(C(=O)NNC(=O)c1ccc(Br)cc1)c1nc3ccccc3nc12 101067149 DETBWIFXBUQMET-WNSKOXEYSA-N 465.351 4.009 50 10 JIGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\Nc3ccc(Br)cc3)C2=O)cc1 101232602 IVBFAEXGDNIBCV-KGENOOAVSA-N 466.335 4.205 50 10 JIGE CCS(=O)(=O)CCC(CBr)(CBr)c1cccc(Br)c1 118671943 FUQPVARMTVAHAX-UHFFFAOYSA-N 477.056 4.302 50 10 JIGE CC(=NNC(=O)c1nnn(-c2nonc2N)c1CSc1ccc(C)cc1)c1cccc2ccccc12 254317892 DVYCSYUMIXXQIX-UHFFFAOYSA-N 498.572 4.140 50 10 JIGE O=C(NN=C1C(=O)N(CN2CCCC2)c2ccc(Br)cc21)c1ccc(Cl)cc1Cl 254384070 KRSPMWSGNAFPSN-UHFFFAOYSA-N 496.192 4.290 50 10 JIGE COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=C/C=C\c2ccc(C)o2)cc1OC 254710985 RQOFSNIXQBGOEC-NBAFXEABSA-N 459.502 4.192 50 10 JIGE COc1ccc(-c2n[nH]cc2C=NNC(=O)c2ccccc2NC(=O)c2cccc(OC)c2)cc1 254873527 AKLURCBEMBXAKQ-UHFFFAOYSA-N 469.501 4.110 50 10 JIGE CCOc1ccc(C=NNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OCC)cc2)cc1 263632749 RPWMGILXAIZAIJ-UHFFFAOYSA-N 495.601 4.138 50 10 JIGE FC(F)(F)Oc1cnc(CBr)c(Br)c1I 396181589 ORBWFURDSLUVPJ-UHFFFAOYSA-N 460.813 4.242 50 10 JIGE Clc1ccc(I)c(CN2CCC(OCCBr)CC2)c1 405211908 LPHFABMDYKMHRC-UHFFFAOYSA-N 458.565 4.321 50 10 JIGE CO[C@]1(COc2c(Br)cc(Br)cc2CBr)CCOC1 692460614 CWPFJYLMHQVUBZ-CYBMUJFWSA-N 458.972 4.291 50 10 JIGE CN([C@@H]1CCC[C@H]1Br)S(=O)(=O)c1cc(Br)ccc1Br 709123474 CPTOVCDVEMRWQB-MWLCHTKSSA-N 476.028 4.148 50 10 JIGE COCc1cc(C)nc2sc(C(=O)NN=Cc3cc(OC)c4c(c3)OCO4)c(-n3cccc3)c12 1081098346 KDNORUZGQCGOHZ-UHFFFAOYSA-N 478.530 4.043 50 10 JIGE N#Cc1ccccc1COc1ccc(C=NNC(=O)c2ccccc2O)cc1I 1084041384 VRGXWVCXFTWENM-UHFFFAOYSA-N 497.292 4.211 50 10 JIGE O=C(Cn1cnc2ccccc21)NN=C1C(=O)N(Cc2cccc3ccccc23)c2ccccc21 1084241810 ULECBZLJFKRSNX-UHFFFAOYSA-N 459.509 4.257 50 10 JIGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@@H](c2cc(OC)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865714281 GBCOJYIXXUIRJH-QHCPKHFHSA-N 496.523 4.489 50 10 JIGE CC(C)(C)OC(=O)N[C@@H](CBr)[C@H]1CN(Cc2ccccc2)C2(CCOCC2)C1 1885093450 NHGIMTVZSZXLOI-MOPGFXCFSA-N 453.421 4.346 50 10 JIGE C[C@@H]1C[C@@H](Br)CN1Cc1ccc(I)c(Br)c1 1904343174 FWLCDLVFFLYJLJ-PSASIEDQSA-N 458.963 4.411 50 10 JIGE Brc1cc(I)cnc1N1[C@H]2CC[C@H]1CC(Br)C2 2015756432 FUDXITGAANGEHO-UWVGGRQHSA-N 471.962 4.343 50 10 JIGE Brc1cc(I)cnc1N1C[C@H]2C[C@H]1CC[C@@H]2Br 2015766902 MNXQIQJZHKCMJE-QNSHHTMESA-N 471.962 4.201 50 10 JIGE N#CC(C(=O)CN1CCN(c2ccccc2F)CC1)=C1NC(c2ccc(Cl)cc2)=CS1 2042434724 WHYMRKZEEHIIJC-UHFFFAOYSA-N 454.958 4.240 50 10 JIGE COc1cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc(I)c1OC 2053515045 ADBLDOQLPMLCCV-UHFFFAOYSA-N 493.257 4.071 50 10 JIGE N#CC(=Cc1ccccc1)C(=O)NC1=C(c2nc3ccccc3s2)C(=O)CN1Cc1ccco1 2085324626 WSFGNSOOJAUGOD-UHFFFAOYSA-N 466.522 4.366 50 10 JIGE O=C(N[C@@H]1C[C@H]2C[C@H]1C[C@H]2Br)c1cc(Br)ccc1I 2104412775 XRLLHQOWKWYAOJ-LVNATWPUSA-N 498.984 4.346 50 10 JIGE C[C@](CCl)(NC(=O)c1cc(Br)ccc1I)C(F)(F)F 2105090369 BXOLUQNINPQJEM-SNVBAGLBSA-N 470.454 4.343 50 10 JIGE Cc1sc(CBr)cc1S(=O)(=O)N(C)[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 2123243773 NZRVTGJLVGSMRJ-PBHICJAKSA-N 457.459 4.235 50 10 JIGE CSCC[C@H](Br)CCNC(=O)c1ccc(I)c(C)c1 2142104547 YIAYGFLERSESOI-GFCCVEGCSA-N 456.187 4.236 50 10 JIGE CC1(C)C[C@H](CBr)CN(C(=O)c2cc(I)ccc2F)C1 2172573135 WCBGYDNQTHBERF-SNVBAGLBSA-N 454.121 4.314 50 10 JIGE CCCN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1occc1CBr 2179835612 VNPONAUMPWPVTA-UHFFFAOYSA-N 455.418 4.240 50 10 JIGE CC(C)(C)OC(=O)N1[C@@H](CNS(=O)(=O)c2ccc(CBr)cc2)CCC1(C)C 2188467842 YJZRNZDZKFVHJX-OAHLLOKOSA-N 461.422 4.038 50 10 JIGE BrC[C@]12CN(Cc3c(Br)cccc3Br)C[C@H]1CCO2 2231272529 MAXPMPJXGDBLMA-YGRLFVJLSA-N 454.000 4.197 50 10 JIGE Cc1ccc(I)c(C(=O)NC2(CCBr)CCSCC2)c1 2240923252 HIFHDWUFERQQLX-UHFFFAOYSA-N 468.198 4.380 50 10 JIGE COCCN(C[C@@H](C)Br)C(=O)c1cc(Br)ccc1Br 2272436643 CKDBQXKKHCPXPX-SECBINFHSA-N 457.988 4.084 50 10 JIGE CNC(=O)C(C#N)=C1S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(F)cc1 2296835007 MAIVRDMLPXYZLE-QGZVFWFLSA-N 450.322 4.305 50 10 JIGE O=C(c1c(F)cccc1I)N1[C@H]2CCC[C@H]2C[C@@H]1CBr 2359284140 QIXRQIPNHJYLAJ-CWSCBRNRSA-N 452.105 4.208 50 10 JIGE Cc1cc(Br)cc(C)c1O[C@@H](C)C(=O)NNC(=O)COc1ccc(Cl)cc1Cl 14643060 WCEHHJQDRUHBPG-LBPRGKRZSA-N 490.181 4.366 50 10 JIGE N#CC1=C(N)Oc2cc(OC(=O)c3cc4ccccc4oc3=O)ccc2[C@@H]1c1cccc(F)c1 38700479 OXUHWPRWNGRMTQ-QHCPKHFHSA-N 454.413 4.369 50 10 JIGE Cc1ccc(Nc2ncnc(NNC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2[N+](=O)[O-])c(C)c1 40621183 VQCBNIKPSWYICH-UHFFFAOYSA-N 457.834 4.064 50 10 JIGE Cc1c(C(=O)Oc2ccc(F)cc2)oc2c1/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 40814657 FPKYKPPAWJBVJH-LGUFXXKBSA-N 465.437 4.254 50 10 JIGE Cc1c(C(=O)NCc2ccccc2Cl)oc2c1/C(=N/NC(=O)c1ccccc1O)CCC2 40826305 POZCXXBIZGSHPY-OVVQPSECSA-N 451.910 4.347 50 10 JIGE COC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(OC(C)C)c(OC)c2)c(OC)c1 40950620 LSAOEFZMOQEPLX-GGNBMFIYSA-N 451.475 4.190 50 10 JIGE C#CCOc1c(Br)cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc1CC=C 58892004 FEISUJDTHYMCBC-FFAHCDIZSA-N 455.352 4.154 50 10 JIGE N#Cc1ccccc1OCC(=O)N/N=C1/C(=O)N(Cc2cccc3ccccc23)c2ccccc21 59166290 QVPXFPYAQGXXQW-TVKQRKNISA-N 460.493 4.158 50 10 JIGE CCC[C@H](CBr)COc1c(I)cc(C#N)cc1[N+](=O)[O-] 96871047 LJWBHMGQHMYOQX-SECBINFHSA-N 453.074 4.261 50 10 JIGE COc1ccc(NC(=O)/C(C#N)=C\N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1OC 216723087 PMAUUEQPOGFJHS-FLFQWRMESA-N 482.584 4.457 50 10 JIGE O=C(c1cc(Br)ccc1I)N(CCBr)C1CC1 232486356 XNKCMRGHRKLMSL-UHFFFAOYSA-N 472.946 4.053 50 10 JIGE O=S1(=O)CC[C@@H](C(CBr)(CBr)CCCOCc2ccccc2)C1 382009327 TYJGOLVRUWPYOU-MRXNPFEDSA-N 468.251 4.194 50 10 JIGE C[C@@H]1CN(Cc2ccccc2)CCN1S(=O)(=O)c1ccc(CCl)cc1Br 382646083 KZFDRNVJXNLXER-OAHLLOKOSA-N 457.821 4.083 50 10 JIGE CO[C@]1(CBr)CCCN(C(=O)c2scc(Br)c2Br)C1 705438875 LWMFILSDJFXLAW-LBPRGKRZSA-N 476.028 4.289 50 10 JIGE C[C@H]1C[C@@H](CCl)CN(C(=O)c2ccc(I)c(Br)c2)C1 721617193 WERDIIHTQYAULA-UWVGGRQHSA-N 456.549 4.391 50 10 JIGE CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)NNC(=O)c1sc(-c3ccccc3)nc1C)O[C@H](C)C2 730514614 BHZGRGKTYXSCCP-HEFCMCLBSA-N 477.586 4.405 50 10 JIGE COc1cc(OC)c(C=NNC(=O)CCC(=O)Nc2ccc(Cl)cc2C)cc1Br 1083922715 UJXBWDZTTJHDPO-UHFFFAOYSA-N 482.762 4.297 50 10 JIGE CSc1ccc(C=NNC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)cc1 1084471463 TYEBCJGJXMTYAM-UHFFFAOYSA-N 453.589 4.139 50 10 JIGE CN(C)c1ccc(CCNC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)cc1 1115940429 GUWXDDOOQHSKQD-PGMHBOJBSA-N 472.980 4.449 50 10 JIGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2ccc([N+](=O)[O-])c(O)c2)C1 1614636544 JPQLSJXHLOUPEX-HOTGVXAUSA-N 482.274 4.088 50 10 JIGE COc1ccccc1/C(C#N)=C/c1ccc(OC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 1615099256 ITPBTRQQAHTGQK-CAPFRKAQSA-N 462.527 4.229 50 10 JIGE Cc1c(C(=O)N2CCN(c3ccccc3)CC2)oc2c1C(=NNC(=O)c1cccs1)CCC2 1772749022 IXYXEROMMNASCB-UHFFFAOYSA-N 462.575 4.082 50 10 JIGE CCCOc1ccc(C(=O)NNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1[N+](=O)[O-] 1860396215 IOYXCWVABTVHFN-UHFFFAOYSA-N 479.333 4.496 50 10 JIGE CCc1ccc(-c2ccc(C(=O)NNC(=O)c3ccc4c(c3)C(=O)N(C(C)(C)C)C4=O)c(C)n2)cc1 1865758746 PBPNWZAOOVJOOZ-UHFFFAOYSA-N 484.556 4.089 50 10 JIGE Cc1cc(C(=O)N[C@H](C)C(=O)Nc2ccc(SC#N)cc2)nn1-c1ccc(Br)cc1 1866847115 JAQRPSVOFICRKQ-CQSZACIVSA-N 484.379 4.273 50 10 JIGE CC1(C)CN(C(=O)c2cc(I)ccc2Br)C[C@H]1CCl 1914532041 RANCDZCJIRYMGC-SECBINFHSA-N 456.549 4.391 50 10 JIGE CC(C)[C@@H](CBr)CN(Cc1ccccc1)CC1(O)CN(C(=O)OC(C)(C)C)C1 1955942604 ASGLSZCGPNXPEF-IBGZPJMESA-N 455.437 4.138 50 10 JIGE COCCN(Cc1ccccc1)S(=O)(=O)c1cc(CBr)ccc1Br 2009658105 JQULRDPLGIRGSB-UHFFFAOYSA-N 477.218 4.181 50 10 JIGE CN(C[C@H](Br)C1CC1)C(=O)c1ccc(Br)cc1I 2086152510 BUGINNMKNGXCIB-NSHDSACASA-N 486.973 4.299 50 10 JIGE COC[C@](C)(CCBr)NC(=O)c1c(Br)cccc1Br 2101773745 IRBUCLKNVWSIMM-ZDUSSCGKSA-N 457.988 4.132 50 10 JIGE CN(C[C@H](Br)C1CCCCC1)C(=O)c1cc(I)sn1 2120026407 OQDYYSDKWUMOQJ-JTQLQIEISA-N 457.175 4.164 50 10 JIGE Cc1cc(C(=O)N[C@@H](CBr)CC(F)(F)F)ccc1I 2142119714 QRYMHCODSFQXJJ-SECBINFHSA-N 450.036 4.045 50 10 JIGE C[C@H]1CN(Cc2ccccc2)C[C@@H](C)[C@@H]1NS(=O)(=O)c1ccc(CBr)cc1 2155547498 CTDATEQAGSMZQK-LFUKPOHLSA-N 451.430 4.016 50 10 JIGE CCn1c(=O)oc2cc([C@H](Br)c3cc(I)sn3)ccc21 2176541606 ZUWOZRWRHFSLJC-LBPRGKRZSA-N 465.110 4.160 50 10 JIGE O=S(=O)(c1csc(CBr)c1)N1CC[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 2179825161 DKTIYOCYAZWKDW-ROUUACIJSA-N 469.470 4.176 50 10 JIGE O=S(=O)(c1ccc(Br)c(CBr)c1)N1CCC(Cl)=C(Cl)C1 2179954078 JKHMVCVTOCINEX-UHFFFAOYSA-N 464.006 4.428 50 10 JIGE Cc1ccc(C(=O)NCCSSCCNC(=O)OC(C)(C)C)cc1I 2217867387 SXNBUPZTNAWTAK-UHFFFAOYSA-N 496.436 4.236 50 10 JIGE CN(C[C@H]1C[C@H]1Br)C(=O)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229119963 ZZPLLDTYAOMQEG-FVQBIDKESA-N 490.236 4.127 50 10 JIGE CCOc1cc(C=C2C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1 2314620338 NIHVROGUIWNZAM-UHFFFAOYSA-N 488.540 4.210 50 10 JIGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 2314795973 JZWLAJXALDWNDY-IBGZPJMESA-N 492.572 4.131 50 10 JIGE COc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)COc2ccccc2OC)cc1C 2321706269 JIYOREBZQDHBLP-UHFFFAOYSA-N 470.529 4.394 50 10 JIGE COC1(CCl)CCN(Cc2ccc(I)c(Br)c2)CC1 2349847634 LLERMYDINFZEDV-UHFFFAOYSA-N 458.565 4.274 50 10 JIGE O=C(COc1c(Cl)cc(Cl)cc1Br)NNC(=O)c1ccccc1Cl 9779654 RCRYWILLXDTTBS-UHFFFAOYSA-N 452.519 4.249 50 10 JIGE CCCCOc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)cc1Br 10153021 AWPFYRJPTWQQLO-MRXNPFEDSA-N 463.372 4.473 50 10 JIGE O=C(CCc1ccccc1)NNC(=O)COc1ccc(-c2ccccc2)cc1Br 14642114 IFSUCADHPMYWBE-UHFFFAOYSA-N 453.336 4.275 50 10 JIGE COC[C@H](C)NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 40813648 STEXGTLQQOESCV-NGHVNIJNSA-N 452.338 4.130 50 10 JIGE C/C(=C(/C#N)P(=N/N=N/c1ccccc1)(N1CCOCC1)N1CCOCC1)N1CCCC1 58448588 SNONBDNAVMNJKT-GAZVXXSRSA-N 457.519 4.232 50 10 JIGE Cc1cc(Br)cc(Br)c1OCC(=O)N/N=C1/CC(=O)CC(C)(C)C1 104588269 FNLOSVMGZDNHIX-NDENLUEZSA-N 460.166 4.150 50 10 JIGE Cc1cc(C(=O)NNC(=O)c2cc(-c3ccco3)nc3ccccc23)c(C)n1-c1cccnc1 106240499 QDHKNESPMAZVCT-UHFFFAOYSA-N 451.486 4.372 50 10 JIGE C[C@H]1CN(S(=O)(=O)c2cc(Br)ccc2Br)CC[C@@H]1Br 167877151 OXVWXJYNZYPKDW-WPRPVWTQSA-N 476.028 4.006 50 10 JIGE COc1cccc(C=NNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c1OCc1cccc(C(=O)O)c1 254428617 NOUQBUCGSKGQKT-UHFFFAOYSA-N 489.440 4.391 50 10 JIGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc(F)cc3)cc2OC)cc1 254489971 NYFGYBKEFLYGTJ-UHFFFAOYSA-N 480.492 4.371 50 10 JIGE CCOc1ccc(Br)cc1C(=O)NN=Cc1cc(Br)ccc1OC 254875993 CGFYKTCQHQLCND-UHFFFAOYSA-N 456.134 4.383 50 10 JIGE CN(C(=O)c1ccc(I)c(Br)c1)C(C)(C)CBr 721590803 ABIMWKALDYRPPA-UHFFFAOYSA-N 474.962 4.299 50 10 JIGE C[C@H](Br)CN(C(=O)c1ccc(I)c(Br)c1)C1CC1 721622424 RPGFUPULEFQALV-QMMMGPOBSA-N 486.973 4.442 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1C2CCC1(CBr)CC2 722991763 HEBSDFRDMKFYER-UHFFFAOYSA-N 454.533 4.477 50 10 JIGE CCc1ccc(C(=O)NNC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)cc1 818028951 ARWTUVORLDBMBT-XSFVSMFZSA-N 472.936 4.048 50 10 JIGE CSc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2sccc2C)c2ccc(C)cc2)cc1 1083995712 PRLOXSMVTWVBKG-UHFFFAOYSA-N 473.645 4.432 50 10 JIGE Cc1ccc(S(=O)(=O)Oc2ccc(C=NNC(=O)c3nc4ccccc4s3)cc2)cc1 1084335202 MPKYZKYFXZMZJH-UHFFFAOYSA-N 451.529 4.136 50 10 JIGE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NNc1ccc(S(=O)(=O)c2ccc(C(C)C)cc2)cc1 1227480565 VFNIYGVHTBPLBD-XXBNENTESA-N 457.596 4.250 50 10 JIGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2F)[C@H]1c1ccc(O)cc1O 1865681601 RIHDNDRQGVGJIU-QFIPXVFZSA-N 454.461 4.367 50 10 JIGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2c(F)cccc2Cl)c(OC)c1 1865708138 PDCKVFJQLJARTM-NRFANRHFSA-N 454.889 4.268 50 10 JIGE Cc1nc(-c2ccc(F)cc2F)ccc1C(=O)NNC(=O)c1ccc(I)cc1 1865759500 DFVKLRFOXTVBHT-UHFFFAOYSA-N 493.251 4.015 50 10 JIGE COc1ccc(/C=C2\Oc3cc(OC(=O)C(Cl)Cl)cc(C)c3C2=O)c(OC)c1OC 1871385440 SMAUTKMLPKQRSR-NVNXTCNLSA-N 453.274 4.346 50 10 JIGE COc1cc(/C=N/NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)ccc1OCc1ccc(C)cc1 1873793788 XUNFEQNEXYQSCU-WTFDWONZSA-N 467.566 4.432 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CCC12CC(NC(=O)OC(C)(C)C)C2 1986323687 BGKWGZBKFRGQLL-TZQQIIETSA-N 461.694 4.318 50 10 JIGE C[C@H]1C[C@@H](CBr)CN1c1ncc(I)cc1Br 1988538486 SMBPEQYASDDCDM-YUMQZZPRSA-N 459.951 4.058 50 10 JIGE CN(CCN(Cc1ccccc1)S(=O)(=O)N1CCC[C@@H](CCCl)C1)Cc1ccccc1 2001897263 LXHRDUNTWVHOAE-DEOSSOPVSA-N 464.075 4.206 50 10 JIGE O=C(NC1(CCBr)CCC1)c1cc(I)ccc1Br 2029625123 HHUQYROFQLUUKJ-UHFFFAOYSA-N 486.973 4.491 50 10 JIGE COc1cc(C)c(-n2nc(CBr)c(I)c2C(F)(F)F)cn1 2078933776 XHAQAHWYJZVXAR-UHFFFAOYSA-N 476.034 4.103 50 10 JIGE CCN1CCC[C@@H]([C@H](Cl)c2cc(Br)c(Br)s2)S1(=O)=O 2089515302 PYRQAFHRFXPBLU-VHSXEESVSA-N 451.633 4.367 50 10 JIGE O=S(=O)(c1ccc(Cl)c(CBr)c1)N1CC[C@@H](COCc2ccccc2)C1 2123209121 GOHMPKPNNIQBEK-MRXNPFEDSA-N 458.805 4.462 50 10 JIGE F[C@]12CCC[C@@]1(CCl)CN(c1ncc(I)cc1Br)C2 2133378311 NMOWPJINMGZJHH-OLZOCXBDSA-N 459.528 4.386 50 10 JIGE C[C@]1(CBr)COCCN(Cc2cc(Br)ccc2Br)C1 2135098170 RMRLWAPRRSIYPL-CQSZACIVSA-N 456.016 4.445 50 10 JIGE CN([C@@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(CBr)cc1F 2179789539 RWBNXIXEUZQRBR-GOSISDBHSA-N 455.393 4.006 50 10 JIGE CC(C)(C)OC(=O)NC[C@@](C)(CI)OC1(C2CCCCC2)COC1 2250814465 YFFBCRLMEBNPKZ-QGZVFWFLSA-N 453.361 4.071 50 10 JIGE C[C@H](Br)CN(CCC(C)(C)C)C(=O)c1cc(I)sn1 2272439517 QYBZDGVQPKWAEK-VIFPVBQESA-N 459.191 4.410 50 10 JIGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)C(C#N)=Cc1ccccc1 2314736900 AJUGYIKHUILAEG-UHFFFAOYSA-N 463.493 4.431 50 10 JIGE O=C(COc1ccc(C(=O)NC2CCCCC2)cc1)NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 2321698195 HBXAQHKLHLAMEB-UHFFFAOYSA-N 490.516 4.446 50 10 JIGE Cc1cc(I)ccc1NC(=O)C(C#N)=CNCCc1cccc(Cl)c1 2325412216 YVSWHJDVEIRMNI-UHFFFAOYSA-N 465.722 4.431 50 10 JIGE CC[C@H](C)N1C(=O)c2ccc(C(=O)Nc3sc(C(C)=CC#N)c(C)c3C(=O)OC)cc2C1=O 2331557626 SYVOUSQIHCZKGV-ZDUSSCGKSA-N 465.531 4.417 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CC[C@H]2[C@H](CBr)[C@H]2C1 2333116884 HHFYOMJXFPWDDK-DLOVCJGASA-N 498.984 4.157 50 10 JIGE O=C(NC1CCCC1)[C@H](c1ccc(Cl)cc1)N(C[C@@H]1COc2ccccc2O1)C(=O)CCl 3039475 SJMWGLRLLBNFNN-XXBNENTESA-N 477.388 4.347 50 10 JIGE CCc1ccc(OCC(=O)NNC(=O)c2ccccc2OCCC(C)C)c(Br)c1 14033742 NVUPCQPSXIOIDT-UHFFFAOYSA-N 463.372 4.276 50 10 JIGE Cc1ccccc1N[C@@H](C)C(=O)N/N=C/c1cc(Br)c(O)c(Br)c1 20418889 ZOOOYYBOGMBZDX-QQZXWGPFSA-N 455.150 4.176 50 10 JIGE N#CC1=C(N)OC2=C([C@@H]1c1cccc(F)c1)S(=O)(=O)N(Cc1ccccc1F)c1ccccc12 20558510 QZELDDDFYJYYNO-JOCHJYFZSA-N 477.492 4.491 50 10 JIGE COc1cccc(/C=N\NC(=O)CNc2cc(Br)c(C)c(Br)c2)c1 33154843 KQAWIURTTDTMMR-NKVSQWTQSA-N 455.150 4.091 50 10 JIGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4)ccc32)c1OC 38658839 LBLHNUYAIMHNAB-VWLOTQADSA-N 472.497 4.215 50 10 JIGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OC)c2OC)cc1 38658974 UOXPIFANYXDJGJ-AREMUKBSSA-N 486.524 4.469 50 10 JIGE COc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)NCCc4cccs4)c(C)c32)cc1 40813914 OVNSLPRWRGJDIE-LGUFXXKBSA-N 451.548 4.101 50 10 JIGE COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1cc(C)cc(C)c1 40878240 ZXLLQGSYGVPMBY-UDWIEESQSA-N 460.486 4.113 50 10 JIGE COc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)C(=O)Nc3ccc(Cl)c(Cl)c3)c2)cc1 48572748 GTHGNJWQEFNLGF-LGJNPRDNSA-N 486.311 4.310 50 10 JIGE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(OC)cc2)cc1 96572040 GGUVQVXSRGOUOX-DIOFJSMUSA-N 470.573 4.463 50 10 JIGE Cc1cc(I)ccc1N/C=C(/C#N)C(=O)NCc1ccccc1Cl 216751563 PJFAZHPEFBBYDO-KAMYIIQDSA-N 451.695 4.389 50 10 JIGE COc1ccc(C=NNC(=O)c2cc(-c3ccccc3OCc3ccccc3)n[nH]2)cc1OC 254612840 NLZMPGBUIJYPLJ-UHFFFAOYSA-N 456.502 4.437 50 10 JIGE COc1ccc(-c2cc(C(=O)NN=Cc3cc(OC)c(OC)cc3OC)n(-c3ccccc3)n2)cc1 254814148 AETUVIQVHHVBEF-UHFFFAOYSA-N 486.528 4.338 50 10 JIGE CC(=NNC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1)c1ccc(C#N)cc1 254853064 BOWFFCQRIXVTIT-UHFFFAOYSA-N 452.923 4.166 50 10 JIGE 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 504656835 AEDZUDVIFQHWGD-GJETYZAMSA-N 483.443 4.081 50 10 JIGE C[C@@H](Br)[C@H]1CCN(C(=O)c2cc(I)ccc2Br)C1 719919893 TZHAUGFMEZHBKV-BDAKNGLRSA-N 486.973 4.299 50 10 JIGE COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N3CCC(NC(=O)c4ccoc4C)CC3)c2C)cc1 727332125 ASGDPEXEQQBTJZ-JWGURIENSA-N 486.572 4.332 50 10 JIGE C[C@H]1CCc2sc(C(=O)NNC(=O)C3CCN(c4nc5ccccc5s4)CC3)cc2C1 727366202 ITYYWTZQHGJJNR-AWEZNQCLSA-N 454.621 4.160 50 10 JIGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)NN=C(C)c1cccnc1 1084130623 ZAHYXBMMUCXHJR-MRXNPFEDSA-N 470.002 4.146 50 10 JIGE N#Cc1ccccc1COc1ccc(C=NNC(=O)c2ccco2)cc1I 1084154738 XQQVTTVQIQVIMU-UHFFFAOYSA-N 471.254 4.099 50 10 JIGE O=C(CSC1=N[C@H](c2ccccc2)[C@H](c2ccccc2)N=N1)NN=C1C(=O)Nc2ccccc21 1088679644 CQBVTCNJSXVPKY-YADHBBJMSA-N 468.542 4.497 50 10 JIGE CCCCCN1C(=O)C(=NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)c2cc(OC)ccc21 1772720438 MGCVCXBCZRCXBN-MRXNPFEDSA-N 457.958 4.482 50 10 JIGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)N=c5cc[nH]cc5)c(C)c43)coc2c1C 1772751882 OZAJNTLKHDEXFT-UHFFFAOYSA-N 470.529 4.420 50 10 JIGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2cccc(OC)c2O)cc1 1865683468 FFYSQNOZTBAWCT-JOCHJYFZSA-N 466.497 4.480 50 10 JIGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2F)cc(Br)c1O 1865688537 UOEBDZYIXSEWOL-HXUWFJFHSA-N 499.340 4.464 50 10 JIGE CSCC[C@@H](NC(=O)C[C@@H]1CC(=O)c2ccccc21)C(=O)Nc1ccc(SC#N)cc1 1867242488 VRQFEFKFULLHLC-MGPUTAFESA-N 453.589 4.196 50 10 JIGE N#CSc1ccc(NC(=O)CNC(=O)CCC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1 1868151300 HJKAPPQCVLEDOQ-LJQANCHMSA-N 493.614 4.068 50 10 JIGE BrC[C@@H](NCc1ccc(I)c(Br)c1)C1CC1 1904340294 XQHGOMBNTILYMJ-GFCCVEGCSA-N 458.963 4.317 50 10 JIGE CC(C)[C@H](CI)NC(=O)c1c(Br)cccc1Br 1945332661 GNKLMJDTBRJJMT-JTQLQIEISA-N 474.962 4.401 50 10 JIGE CC(C)(C)OC(=O)N1CC[C@](COCc2ccccc2)(C(=O)NC[C@H]2C[C@H](Br)C2)C1 1991446453 FNXSUAGOLAIMOM-YDHSSHFGSA-N 481.431 4.120 50 10 JIGE Brc1cc(I)cnc1N1C[C@H]2C[C@@H](Br)C[C@H]1C2 2015763013 SOEFTIVCVBXYPY-QXFUBDJGSA-N 471.962 4.201 50 10 JIGE CC(C)[C@@H]1[C@H](Br)CCN1c1ncc(I)cc1Br 2015766073 IWFJHOBRBZLJQB-MWLCHTKSSA-N 473.978 4.447 50 10 JIGE CCOC(=O)Cc1cc(I)cc(C(F)(F)F)c1CBr 2055267609 JGSUMFGACXCNSN-UHFFFAOYSA-N 451.020 4.311 50 10 JIGE O=S(=O)(c1ccc(CBr)c(Br)c1)N1CC[C@@H](OCc2ccccc2)C1 2059389548 DALWEYDCUYHRTI-MRXNPFEDSA-N 489.229 4.324 50 10 JIGE Cc1cc(S(=O)(=O)N(Cc2ccccc2)C2CCN(C)CC2)sc1CBr 2123244488 WVGSBWDKEGUREW-UHFFFAOYSA-N 457.459 4.237 50 10 JIGE C[C@@H]1CN(C(=O)Cc2ccccc2I)CC[C@@H]1CCBr 2172469367 WGBMAUFIRWTICQ-OLZOCXBDSA-N 450.158 4.103 50 10 JIGE O=S(=O)(c1csc(CBr)c1)N1CCC2(CCN(Cc3ccccc3)CC2)C1 2179824459 VODGSEYBQDDHSS-UHFFFAOYSA-N 469.470 4.320 50 10 JIGE CCc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)C[C@@H]2C)cc1CBr 2179861963 OPTWKEITKAINOK-KRWDZBQOSA-N 451.430 4.039 50 10 JIGE C[C@@H](c1nscc1Br)N(C)S(=O)(=O)c1ccc(CBr)s1 2186581616 OQOQFTJZVMGHPB-ZETCQYMHSA-N 460.238 4.244 50 10 JIGE CCCCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)NCCOC)cc2OC)cc1 2293202109 DPOKAGDODNZKIB-UHFFFAOYSA-N 478.545 4.162 50 10 JIGE N#CC(=Cc1ccc(OCc2ccc3c(c2)OCO3)cc1)C(=O)N1CCN(c2ccccc2)CC1 2313566929 DRVPNIMHSZDOIY-UHFFFAOYSA-N 467.525 4.250 50 10 JIGE Cc1c(C(=O)O)cccc1-n1c(C)cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c1C 2313568782 YOVKBPTZSIQZGS-UHFFFAOYSA-N 468.557 4.357 50 10 JIGE CC(C)c1ccc(C=CC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 2325886247 VFMFWEKFMRQENC-IAGOWNOFSA-N 478.618 4.128 50 10 JIGE CCCN1CC[C@H]([C@@H](Br)c2ccc(Cl)cc2I)S1(=O)=O 2365558919 NVJWARFFZSFVPB-OLZOCXBDSA-N 492.604 4.195 50 10 JIGE COc1ccc2cc(/C=N/NC(=O)CC(=O)N/N=C/c3ccc4cc(OC)ccc4c3)ccc2c1 20073576 IHZWPVQAANYSBE-LPHFKDDMSA-N 468.513 4.001 50 10 JIGE O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)N/N=C/c1c(O)ccc2ccccc12 20806585 ZWPNFHLBGBKXOR-LQKURTRISA-N 480.553 4.431 50 10 JIGE O=C(NNC(=O)c1ccc(-n2nc(C(F)(F)F)c3c2-c2ccoc2CC3)cc1)c1ccccc1 39852173 PYNGJCHHFZCGDA-UHFFFAOYSA-N 466.419 4.325 50 10 JIGE CC1=C(C(=O)N/N=C/c2cccc(Cl)c2)[C@H](c2ccc(Br)cc2)NC(=S)N1 59384233 ZBPBGJUXFGIJAI-KQFRHJRUSA-N 463.788 4.046 50 10 JIGE CS(=O)(=O)CCCC(CBr)(CBr)c1ccc(Br)cc1 118671784 DTJYXQQYMVODOY-UHFFFAOYSA-N 477.056 4.302 50 10 JIGE CC(C)N(CCBr)C(=O)c1cc(Br)ccc1I 232635841 HYVVPORTAFKNJK-UHFFFAOYSA-N 474.962 4.299 50 10 JIGE C[C@@H]1C[C@@H](Br)CCN1C(=O)c1cc(I)ccc1Br 705451212 WWAAAXYSEBYKHS-BDAKNGLRSA-N 486.973 4.442 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@H]2C[C@@H](Cl)C[C@H]1C2 709820587 XUEOFRQIOIAGEK-IQJOONFLSA-N 454.533 4.286 50 10 JIGE O=C(c1cccc(F)c1I)N1C[C@H]2C[C@H](Br)CC[C@H]2C1 721690380 FOGHMQZZBBHMSH-HBNTYKKESA-N 452.105 4.066 50 10 JIGE C[C@H](OC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1)C(=O)N[C@@H](C)c1ccc(F)cc1 761409164 CWSZHNZUDVGQFR-LAJVUORCSA-N 485.519 4.319 50 10 JIGE COCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)Nc2c(C(C)=O)oc3ccccc23)c1C 897567933 FVDBIGJPNHLIHX-ACRNLXFHSA-N 477.517 4.178 50 10 JIGE Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)c(C)n1-c1ccc(F)cc1 912927116 BBQWDGRTGYAOIL-STZFKDTASA-N 470.504 4.428 50 10 JIGE CCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1cc(OC)ccc1OC)C(C#N)=C(N)O2 1865692984 QKXCAWWYIKTIET-NRFANRHFSA-N 450.926 4.383 50 10 JIGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccccc2[N+](=O)[O-])cc1 1865710254 SEDJPOOENQXGGJ-INIZCTEOSA-N 457.368 4.026 50 10 JIGE CCCOc1ccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1OCC 1873793359 KZLSXPOYVDMSGW-CHZJBYNNSA-N 469.582 4.460 50 10 JIGE C[C@@H](CCBr)N(C)S(=O)(=O)c1cc(Br)ccc1Br 1917097116 QJGWRRPBQIIFTG-QMMMGPOBSA-N 464.017 4.006 50 10 JIGE C[C@H](CCBr)N(C)C(=O)c1ccc(I)c(Br)c1 1917109840 PIRPPWKPQOEGEH-MRVPVSSYSA-N 474.962 4.299 50 10 JIGE O=C(N[C@@H](CBr)C[C@H]1CCCO1)c1cc(Br)ccc1Br 1926740372 KGYDQBCFBZWVKM-GHMZBOCLSA-N 469.999 4.274 50 10 JIGE O=C(NCCC(F)(F)CBr)c1cc(Br)sc1Br 2012618245 LWHATLDERAJWDG-UHFFFAOYSA-N 455.944 4.423 50 10 JIGE COCCN1C[C@@H](Br)[C@H](Cc2cccc(Br)c2Br)C1 2100730612 LLZPANCDOITXDS-DGCLKSJQSA-N 456.016 4.096 50 10 JIGE Cn1ncc(CC(CBr)(CBr)c2ccccc2)c1Br 2116617553 MPYDKAXCELJJEC-UHFFFAOYSA-N 451.000 4.453 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CC[C@H](Br)[C@@H]1C1CC1 2130611634 MSDKERMCJBKCBM-AAEUAGOBSA-N 498.984 4.442 50 10 JIGE CC[C@@H]1CC[C@H](NS(=O)(=O)c2ccc(CBr)cc2)CN1C(=O)OC(C)(C)C 2162588375 FJBZJQRCAVMDGQ-JKSUJKDBSA-N 461.422 4.038 50 10 JIGE N#CC(=CNc1ccc(S(=O)(=O)NC(N)=O)cc1)c1nc(-c2cccc3ccccc23)cs1 2296038120 XVXZWOOGKHQQEQ-UHFFFAOYSA-N 475.555 4.297 50 10 JIGE COc1ccc(C=CC(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1OC 2313601947 VVFWRQSPUIKAFV-UHFFFAOYSA-N 453.322 4.030 50 10 JIGE O=C(N[C@H]1C[C@@H](CCl)[C@H]2C[C@@H]12)c1ccc(I)c(Br)c1 2329872483 ZPVXUNBQXUXRCD-WTBMIXGQSA-N 454.533 4.047 50 10 JIGE CC(C)[C@H]1C[C@](NCCSSCCNC(=O)OC(C)(C)C)(C(=O)O)CN1Cc1ccccc1 2349637767 BQJZXGSFLPOATF-HYBUGGRVSA-N 497.727 4.236 50 10 JIGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NCC1(CBr)CCCCC1 2364201964 MTRDPLNFYPOGLW-UHFFFAOYSA-N 499.471 4.108 50 10 JIGE COc1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc(Cl)c1OCc1ccc(C(=O)O)cc1 9260171 RRRPMYJYANQAKN-BRJLIKDPSA-N 483.864 4.298 50 10 JIGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)CCc3ccccc3Cl)cc2)c1 10460286 ZGPKOFUDFBLCGY-UHFFFAOYSA-N 495.004 4.169 50 10 JIGE Cc1ccc(NC(=O)CCC(=O)NNC(=O)c2ccccc2OCCc2ccccc2)cc1C 10509149 LGOCXQSGMFSVTM-UHFFFAOYSA-N 459.546 4.105 50 10 JIGE COc1ccc(/C=N/NC(=O)CCC(=O)N/N=C/c2ccc(OC)c3ccccc23)c2ccccc12 12575113 ZBEVDZGFZHCDTC-YAGSLNJISA-N 482.540 4.391 50 10 JIGE CCCCC(=O)Nc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2c(C)cc(Br)cc2C)cc1 14643348 CBSSMBXUUKVVKG-MRXNPFEDSA-N 490.398 4.423 50 10 JIGE CCCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccc(C)s1)C(=O)CCl 35797844 MSANGFDAXIBRSS-UHFFFAOYSA-N 467.031 4.122 50 10 JIGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OC)c(OC)c2)cc1 38658615 OTVINROSRMQSAS-HHHXNRCGSA-N 486.524 4.469 50 10 JIGE CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@H]3COc4ccccc4O3)ccc21 38687434 DCFQEBGSWAOPGP-RPBOFIJWSA-N 470.481 4.049 50 10 JIGE COc1cc(/C=C(\C#N)C(=O)NC(C)C)ccc1OC(=O)COc1cc(Cl)ccc1Cl 40878526 KNDWTPFOOKGZNT-OVCLIPMQSA-N 463.317 4.418 50 10 JIGE O=C(O)COc1c(Cl)cc(/C=N/NC(=O)c2cc3ccccc3o2)cc1Br 59679919 SBZCFKBXDDHKEN-ODCIPOBUSA-N 451.660 4.076 50 10 JIGE O=C(N/N=C\c1ccc(O)c(Cl)c1)c1cccn(Cc2ccc(Cl)c(Cl)c2)c1=O 169920459 VFQDKYACQKJHRX-VROXFSQNSA-N 450.709 4.326 50 10 JIGE CC(=NNC(=O)c1ccc2c(c1)OCO2)c1ccc(NC(=O)COc2ccc(Cl)cc2)cc1 252617647 KXOHBFVTMMGGPY-UHFFFAOYSA-N 465.893 4.240 50 10 JIGE O=C(Oc1ccc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)cc1)c1cccc(F)c1 254566618 HBNQQBAGSXRTHE-UHFFFAOYSA-N 468.484 4.431 50 10 JIGE COc1cccc(NC(=O)C(=O)NN=Cc2ccc(OC(=O)c3cccc4ccccc34)cc2)c1 254743014 HBOKLNLRXWZCRP-UHFFFAOYSA-N 467.481 4.156 50 10 JIGE O=S(=O)(N[C@@H](CBr)CC(F)(F)F)c1ccc(Br)cc1Cl 717832681 ZJDDRHNVTWZMAN-SSDOTTSWSA-N 459.509 4.097 50 10 JIGE CCCN(CCBr)C(=O)c1ccc(I)c(Br)c1 721605372 SLJREWDXAYQVBT-UHFFFAOYSA-N 474.962 4.301 50 10 JIGE BrCc1cc(Br)cc(Br)c1OC[C@H]1C[C@@H]2COC[C@@H]2O1 724626605 DGLIMRPHOCMWQN-XWIASGKRSA-N 470.983 4.289 50 10 JIGE N#CCCn1cc(/C=C(/C#N)C(=O)OCC(=O)Nc2ccc(Cl)cn2)c(-c2ccc(Cl)cc2)n1 782086207 BSFVWTWGQMDYEO-YBEGLDIGSA-N 495.326 4.254 50 10 JIGE COCCOc1ccc(NC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)cn1 914845264 GSOMFIJVZFTIKX-AQTBWJFISA-N 476.924 4.083 50 10 JIGE O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)NN=Cc1c(F)cccc1Cl 1084128767 VLNDFTPCWJABHZ-UHFFFAOYSA-N 480.348 4.478 50 10 JIGE C[C@H](SCc1ccccc1)C(=O)NN=C1C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 1084281789 FPGMYPMNVBPLCP-KRWDZBQOSA-N 474.542 4.284 50 10 JIGE Cc1nn(Cc2ccccc2Cl)c(C)c1C=NNC(=O)CSCC(=O)Nc1ccccc1 1084504726 YDVPXHSDURGZFD-UHFFFAOYSA-N 469.998 4.024 50 10 JIGE COc1ccccc1-c1cc(C(F)(F)F)c2c(C)nn(CC(=O)N3CC=C(C#N)CC3)c2n1 1137601100 BSBIHKGVWKCGEZ-UHFFFAOYSA-N 455.440 4.116 50 10 JIGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(C)cc2)cc1 1865708506 AJWOWDQEISCKNM-KRWDZBQOSA-N 454.408 4.204 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2F)[C@@H]1c1ccc([N+](=O)[O-])cc1 1865712915 LPAXHKWPOKYFCH-MRXNPFEDSA-N 459.359 4.216 50 10 JIGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1cc(OC)c(O)c(OC)c1)C(C#N)=C(N)O2 1865714037 BCTWTKPSXLIOTM-LJQANCHMSA-N 497.349 4.138 50 10 JIGE O=C(NNc1ccccn1)[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(C3CCCCCCCCCCC3)C2)C1 1872961614 MJVHRWRWXRIMSY-GOTSBHOMSA-N 497.684 4.285 50 10 JIGE N=[S@](=O)(C[C@H]1C[C@@H]1Br)c1cc(I)ccc1Br 1900819478 DWVYHUMXLGNYKL-SFKPRXIGSA-N 478.975 4.243 50 10 JIGE Cn1nc(Br)c([C@H](Br)c2sc(Cl)cc2I)n1 1900918136 CSJVOOKIBQMQFL-YFKPBYRVSA-N 497.381 4.381 50 10 JIGE C[C@H]1CN(C(=O)c2ccc(Br)cc2I)C[C@@H]1CBr 2086139327 NAMRPAOVHNIKJB-IUCAKERBSA-N 486.973 4.157 50 10 JIGE Cn1cc([C@@H](Br)c2cc(Br)c3c(c2)CCO3)nc1Br 2090465692 YOAJNCNWIXAWBC-NSHDSACASA-N 450.956 4.364 50 10 JIGE CC1(C)CN(C(=O)c2csc(Br)c2Br)C[C@H](CBr)O1 2093946592 DHSLRNXLWNPOLT-ZETCQYMHSA-N 476.028 4.288 50 10 JIGE CN([C@@H]1CC(C)(C)[C@H]1OCc1ccccc1)S(=O)(=O)CCC(F)(F)CBr 2123363552 UTVSWKGIERQRJS-CVEARBPZSA-N 454.377 4.052 50 10 JIGE O=C(NCC1(CBr)CC2(CCC2)C1)c1sccc1I 2126385258 FGBOGQMLNRMBHG-UHFFFAOYSA-N 454.171 4.428 50 10 JIGE O=C(NC[C@@H]1CCCC[C@H](Br)C1)c1ccc(I)c(O)c1 2163745731 LFSIQVUQQYBHJK-PWSUYJOCSA-N 452.130 4.070 50 10 JIGE CC(C)(C)OC(=O)N1C[C@H](CNC(=O)[C@@H](Br)C2CCCC2)[C@H](C(F)(F)F)C1 2167035282 XIPIFMRUXCYBHN-MJBXVCDLSA-N 457.331 4.102 50 10 JIGE FC(F)(F)c1cnc(N2C[C@H]3CC[C@]3(CBr)C2)c(I)c1 2198864410 DCTRCFILFINOOL-PELKAZGASA-N 461.063 4.316 50 10 JIGE O=S1(=O)C[C@H]2[C@@H](C1)[C@@H]2[C@@H](Br)c1c(Br)cc(F)c(Cl)c1F 2201620512 BUIZVOBYRQVPGO-CVUZSJFPSA-N 450.526 4.107 50 10 JIGE C[C@@H](Br)CCc1cn(-c2ccc(Br)cc2I)nn1 2223633483 XEJZTTUEHSMDNP-MRVPVSSYSA-N 484.961 4.350 50 10 JIGE C=C1CC(CBr)(NC(=O)Cc2cc(Br)cc(Br)c2)C1 2277923598 AYCDNKMVCADWPW-UHFFFAOYSA-N 451.984 4.354 50 10 JIGE COC1([C@H](Br)c2cc(I)cc3c2OCC3)CC(CF)C1 2281094719 VWNSLJNXGGRLMK-JBLLZRQOSA-N 455.105 4.427 50 10 JIGE COc1ccc(OCCCC(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2OC)cc1 2314738449 QBSDOZJVWBQWSW-UHFFFAOYSA-N 490.512 4.285 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1C[C@@]2(CBr)CC[C@H]1C2 2336472736 GCMTXFKTCDVRQB-HZMBPMFUSA-N 454.533 4.334 50 10 JIGE C[C@H](Br)CN(C(=O)Cc1ccccc1I)C1CCCC1 2368851731 SHYKBZHXKGKDGI-LBPRGKRZSA-N 450.158 4.388 50 10 JIGE COc1cc(Br)cc(/C=N/NC(=O)CSc2nc3ccccc3s2)c1O 727259 AFLXQMFCISAKRZ-UFWORHAWSA-N 452.355 4.015 50 10 JIGE COc1ccc(/C=N/NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1COc1ccc(F)cc1 10040686 DXZXVJKIMHISQH-MZJWZYIUSA-N 468.481 4.203 50 10 JIGE Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=O)c1ccccc1OCCOc1ccccc1 14040562 UAIFIHGXEOCWFT-UHFFFAOYSA-N 495.963 4.286 50 10 JIGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\Nc3cccc(Cl)c3C)C2=O)cc1OC 39894025 VUEDSVRTAGGISE-XMHGGMMESA-N 465.937 4.413 50 10 JIGE COc1ccc(C(=O)NNc2ncnc(N(Cc3ccccc3)Cc3ccccc3)c2[N+](=O)[O-])cc1 40607342 BDDWNCZZMIFOQZ-UHFFFAOYSA-N 484.516 4.357 50 10 JIGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(OC)c(OCC)cc2Br)cc1 58894206 CDYDCYUPCQTDOA-QHSFOXILSA-N 479.371 4.219 50 10 JIGE C[C@@H](Br)C(=O)Nc1ccc2nc(SCC(=O)NCc3ccccc3)sc2c1 59449307 MNNXMHVOYOUEEG-GFCCVEGCSA-N 464.410 4.427 50 10 JIGE O=C(CCCNc1ccccc1)N/N=C/c1cc(Br)c(O)c(Br)c1 59507826 XYGREFVLDWZMGB-SRZZPIQSSA-N 455.150 4.260 50 10 JIGE CCc1ccc(N2C(=O)[C@H](Cc3cccc(C(F)(F)F)c3)S/C2=C(/C#N)C(=O)NC)cc1 101240458 ACGQWYSHDPEWIT-ODXGNSPJSA-N 459.493 4.440 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CCC(CBr)CC1 232478222 CPRRPBYFSNCNGE-UHFFFAOYSA-N 486.973 4.301 50 10 JIGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)C(=O)Nc2ccccc2)cc1 254379960 ZTYGGXBDAQVFOJ-UHFFFAOYSA-N 467.529 4.417 50 10 JIGE CCOc1ccc(C(C)=NNC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)cc1 254813855 KCNTZXXOBOTFCS-UHFFFAOYSA-N 479.602 4.438 50 10 JIGE O=C(C1CC1)[C@H](Br)Cc1ccc(I)cc1Br 300917648 VSYGHUVZOZQLDF-LLVKDONJSA-N 457.931 4.339 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N(CCBr)CC1CC1 688377230 YMBCMCSYGLSHJE-UHFFFAOYSA-N 476.028 4.007 50 10 JIGE COc1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)c(OC)c1 1614806369 JQSLOEPEWBHHAR-APWZRJJASA-N 481.330 4.491 50 10 JIGE O=C(COc1ccc(Br)cc1)NNC[C@H](C(=O)c1ccc(F)cc1)c1ccc(F)cc1 1615943026 APSIRMZZTKQARP-NRFANRHFSA-N 489.316 4.394 50 10 JIGE N#CSc1ccc(NC(=O)Nc2ncccc2OCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 1858834698 PYOCJWSLCOIAMP-UHFFFAOYSA-N 464.463 4.224 50 10 JIGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(OC)cc2)ccc1O 1865681745 VNEKRLMKLJNBFZ-SFHVURJKSA-N 472.423 4.222 50 10 JIGE O=C(NC[C@H]1C[C@@H]1Br)c1c[nH]c2cc(Br)c(Br)cc12 1887783277 BZSMGULNCCLOLV-MUWHJKNJSA-N 450.956 4.206 50 10 JIGE C[C@H](Br)[C@H]1CCCN(c2ncc(I)cc2Br)C1 2015763182 VLUXMLDWQQSASX-IUCAKERBSA-N 473.978 4.449 50 10 JIGE O=C(N[C@@H](CCBr)C1CC1)c1cc(I)ccc1Br 2029969176 AOQWUPIMGNMMTO-LBPRGKRZSA-N 486.973 4.347 50 10 JIGE Brc1ccc(Br)c(CN2C[C@H]3COC[C@@H](C2)C3Br)c1 2118520916 ZFAAQQPQUZMXPQ-BVUQATHDSA-N 454.000 4.053 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N[C@@H](CBr)C2(C)CC2)cc1Br 2150537416 UMEKVNQCUKHZQY-LBPRGKRZSA-N 490.055 4.362 50 10 JIGE CC(C)(C)OC(=O)N[C@H]1CCN(S(=O)(=O)c2ccc(CBr)cc2)C(C)(C)C1 2163056765 VLZWTZFGHFJRMA-HNNXBMFYSA-N 461.422 4.038 50 10 JIGE CC1(C)C[C@@](C)(CBr)CN1C(=O)c1cccc(F)c1I 2199556219 JIJMRJMZMXVZCH-HNNXBMFYSA-N 454.121 4.456 50 10 JIGE C[C@]1(CBr)C=CCN1C(=O)c1cc(I)ccc1Br 2221459843 HJHHDKMPBKQSMA-CYBMUJFWSA-N 484.957 4.219 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@](CBr)(O[C@H]2CCN(Cc3ccccc3)C2)C1 2242051916 YZXUAJLBYMQLJW-SIKLNZKXSA-N 453.421 4.442 50 10 JIGE O=S1(=O)CCC[C@@H]([C@@H](Br)Cc2cc(Br)cc(Br)c2)C1 2277963364 UBPNZIUTXLMLPF-MFKMUULPSA-N 475.040 4.342 50 10 JIGE BrC[C@]12CCO[C@H]1CN(Cc1cc(Br)ccc1Br)C2 2278944116 IMULOVPNDFICMT-KBPBESRZSA-N 454.000 4.197 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N[C@@H]1C[C@H](CBr)[C@@H]2C[C@@H]12 2295311658 NKVIBSJFVSTMHP-GJQVQUKXSA-N 466.011 4.290 50 10 JIGE CCc1ccc(C=C2SC(=S)N(CCCC(=O)NNc3ccc([N+](=O)[O-])cc3)C2=O)cc1 2295916642 RPQUDAWTJAAFEY-UHFFFAOYSA-N 470.576 4.282 50 10 JIGE NNC(=O)C=Cc1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1 2314019633 UCBSZZZFSKKUOI-UHFFFAOYSA-N 460.553 4.447 50 10 JIGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 2314618422 NHLFBODMFJPQGZ-HSZRJFAPSA-N 482.515 4.450 50 10 JIGE O=C(c1c(Br)cccc1Br)N1CC[C@@H]2[C@H](C1)[C@@H]2CBr 2333116137 WJDVPLBVTJFAOE-AEJSXWLSSA-N 451.984 4.315 50 10 JIGE COCCO[C@@H]1[C@@H](Br)C[C@@H]1OCc1ccc(Cl)cc1I 2365635092 CBWDEKVFQJWKTG-FPMFFAJLSA-N 475.548 4.029 50 10 JIGE COc1ccc(Cl)c2sc(NNC(=O)c3ccc(S(=O)(=O)N4CCC[C@H](C)C4)cc3)nc12 9447705 CWBGRWBERDCYQW-ZDUSSCGKSA-N 495.026 4.136 50 10 JIGE O=C(CCc1ccccc1Cl)NC(=S)NNC(=O)c1ccc(OCc2ccccc2)cc1 10460490 ZKWOFHBJVSYTFA-UHFFFAOYSA-N 467.978 4.187 50 10 JIGE COc1ccc(OC)c(/C=N/NC(=O)COc2cc(C)c(Cl)c(C)c2Br)c1 40950736 JQSBIUOHNMYLRJ-LSFURLLWSA-N 455.736 4.266 50 10 JIGE O=C(NC(NC(=O)C(Cl)Cl)c1cccc(OCc2ccccc2)c1)C(Cl)Cl 100917440 WVYPSWGOVCZUJI-UHFFFAOYSA-N 450.149 4.104 50 10 JIGE COc1cc(/C=C(/C#N)C(=O)N2CCOCC2)ccc1OC(=O)CCc1ccc(C(C)(C)C)cc1 207237186 HHSDJYQUHNNQHZ-XLNRJJMWSA-N 476.573 4.297 50 10 JIGE COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(Cl)s2)cc1OC 252630862 VFDMWRRUJRSDIF-FBFLRHQYSA-N 469.950 4.340 50 10 JIGE COc1ccc(-n2c(SCC(=O)NN=C/C=C/c3ccco3)nnc2-c2ccccc2)cc1 254559199 YVWFALYVEPSYHU-LAZVDATLSA-N 459.531 4.443 50 10 JIGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccccc3)cc2OCC)cc1 254577755 JHLPMDAYGDMCSY-UHFFFAOYSA-N 489.528 4.182 50 10 JIGE 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 504656836 AEDZUDVIFQHWGD-LMSHCEBOSA-N 483.443 4.081 50 10 JIGE O=C(NC[C@]1(CBr)CCCOC1)c1scc(Br)c1Br 700889627 BQIVKFVXPGHGMR-GFCCVEGCSA-N 476.028 4.195 50 10 JIGE N#CCCn1cc(/C=C(\C#N)C(=O)NCc2ccc(C#N)cc2F)c(-c2ccc(Cl)cc2)n1 729832872 QJRYEMNDXHRLBN-YBFXNURJSA-N 458.884 4.351 50 10 JIGE C=CCN(C(=O)/C(C#N)=C\c1cc(C)n(C[C@@H]2CCCO2)c1C)c1nc(C(=O)OCC)cs1 749127396 FHCHUIGCMWXSJM-CBXNMNPBSA-N 468.579 4.043 50 10 JIGE CC(C)(C)[C@@H]1CCc2sc(C(=O)NNC(=O)[C@H]3CCCN3C(=O)c3cccs3)cc2C1 1087356435 HTCIESYEGWNFGF-HZPDHXFCSA-N 459.637 4.026 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 1254969957 KUTXTADJEPAVNY-BBWFWOEESA-N 461.694 4.270 50 10 JIGE C#C[C@@H](CC)NC(=O)NNc1c(Br)cc(Br)cc1Br 1686675735 QXBCMUWSKUCVQJ-QMMMGPOBSA-N 453.960 4.012 50 10 JIGE COc1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 1772744678 HCMMKZLGGVTTPR-UHFFFAOYSA-N 462.462 4.228 50 10 JIGE Cc1c(C(=O)Oc2cccnc2)oc2c1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772750165 YVWINGAQJXKCAN-UHFFFAOYSA-N 481.324 4.192 50 10 JIGE O=C(COc1ccc(Cl)cc1)NN=C1C(=O)N(Cc2ccccc2Cl)c2ccccc21 1772752413 IMBZWGYMYJNFTC-UHFFFAOYSA-N 454.313 4.440 50 10 JIGE Cc1ccc(-c2csc3ncn(CC(=O)N/N=C/c4c(F)cccc4Cl)c(=O)c23)cc1 1860772989 MLNKKRSZKMELTM-JQAMDZJQSA-N 454.914 4.376 50 10 JIGE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1cc(OC)c(OC)cc1OC)C(C#N)=C(N)O2 1865712033 OILMYYNNDIIHNB-XMMPIXPASA-N 474.561 4.355 50 10 JIGE N#CSc1ccc(NC(=O)[C@@H](NC(=O)Cc2ccc3c(c2)OCCO3)c2ccccc2)cc1 1866606602 MEHJSTRKSGEVED-DEOSSOPVSA-N 459.527 4.070 50 10 JIGE CC1(C)CN(S(=O)(=O)c2cc(Br)ccc2Br)C[C@H]1CBr 1914042415 JYMRTMAFDSPQNK-SECBINFHSA-N 490.055 4.253 50 10 JIGE O=C(N[C@H](CBr)CC1CCCC1)c1ccc(I)c(O)c1 1926728846 QRYMOFLBKZRTJN-LBPRGKRZSA-N 452.130 4.070 50 10 JIGE CN(C[C@H]1C[C@H](Br)C1)C(=O)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2020202120 XLGUTVRIBFOUPP-MXVIHJGJSA-N 494.474 4.178 50 10 JIGE C=C(CBr)CCNC(=O)c1cc(Br)ccc1I 2020209709 HDHAFHCUTQZENA-UHFFFAOYSA-N 472.946 4.125 50 10 JIGE CC1(C)CC[C@@H](COC2(CI)CCN(C(=O)OC(C)(C)C)CC2)OC1 2076724234 DXPGSHRWLHATIV-HNNXBMFYSA-N 467.388 4.413 50 10 JIGE Cc1ccnc(-n2nc(CBr)c(I)c2C(F)(F)F)c1C 2078930050 QUSVBAQKGLVHMR-UHFFFAOYSA-N 460.035 4.402 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2CC[C@@]2(C)CBr)cc1Br 2097248259 XGIFXOLVGQDZLF-LBPRGKRZSA-N 476.028 4.068 50 10 JIGE O=C(N[C@@H]1C[C@H](CBr)[C@H]2C[C@@H]21)c1cccc(Br)c1Br 2110549180 MAEWMMZAFJYPDU-ZIYJGFGOSA-N 451.984 4.361 50 10 JIGE CC1(C)CO[C@H](CBr)CN1Cc1cc(Cl)ccc1I 2111237086 SQTWUTHZCUJBMX-GFCCVEGCSA-N 458.565 4.319 50 10 JIGE O=C(c1csc(I)c1)N1C[C@H]2CCC[C@@](CBr)(C2)C1 2134969169 CPJXAWAFQRIEDE-HZMBPMFUSA-N 454.171 4.380 50 10 JIGE Brc1cccc(CN2CC[C@]3(C[C@H](Br)CO3)C2)c1Br 2137148580 NOTHAKLQTFDSHF-FZMZJTMJSA-N 454.000 4.340 50 10 JIGE CC[C@@H]1CN(C(=O)c2cc(Cl)ccc2I)C[C@@H]1CBr 2140789672 USCFKHQUNSYHSI-ZJUUUORDSA-N 456.549 4.438 50 10 JIGE CCC[C@H]1CN(C(=O)c2ccc(F)cc2I)C[C@@H]1CBr 2205703464 NEQZNHQMRHFMIH-QWRGUYRKSA-N 454.121 4.314 50 10 JIGE O=C(N1CCC[C@@H]([C@@H]2CCCCN2CCCCCI)C1)C(F)(F)F 2220214470 DGUCKFJXUPVSLF-CABCVRRESA-N 460.322 4.247 50 10 JIGE O=C(NCC[C@H]1CN(CCCCCI)c2ccccc21)C(F)(F)F 2220217866 YIUKOBAKRYJZGY-ZDUSSCGKSA-N 454.274 4.264 50 10 JIGE COc1cc(CBr)c([N+](=O)[O-])cc1OC[C@H]1CC1(Br)Br 2233041737 USZBOTJAKZHEML-MRVPVSSYSA-N 473.943 4.383 50 10 JIGE CC(C)(CBr)CS(=O)(=O)c1cc(I)ccc1Br 2300846833 MBIOXHJHHPQCOW-UHFFFAOYSA-N 496.002 4.249 50 10 JIGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCC#N 2313568403 RUXORCGLNSOIPW-UHFFFAOYSA-N 473.270 4.056 50 10 JIGE CC(C)(CI)CN1C[C@H](c2ccccc2)[C@@H](NC(=O)OC(C)(C)C)C1 2326668570 VPGFJKRGCITPIY-SJORKVTESA-N 458.384 4.440 50 10 JIGE C[C@H](Br)C[C@@H]1COCCN1Cc1ccc(Cl)cc1I 2341009304 JJLVNJRMHJDMTR-GXFFZTMASA-N 458.565 4.319 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N[C@H]1C[C@@H](CBr)[C@H]2C[C@H]12 2360166449 NKVIBSJFVSTMHP-VZLIPTOUSA-N 466.011 4.290 50 10 JIGE Cc1cc(Br)ccc1OCC(=O)NNC(=O)COc1ccccc1-c1ccccc1 13979963 LMBYEZLWYDDDDK-UHFFFAOYSA-N 469.335 4.030 50 10 JIGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)cc1 38687493 JYBLKYXOEJZWJR-UIOOFZCWSA-N 484.508 4.439 50 10 JIGE O=S(=O)(NC[C@H]1CCCC[C@@H]1Br)c1cc(Br)ccc1Br 136978551 MVZQEHONVOGNGH-KOLCDFICSA-N 490.055 4.444 50 10 JIGE CN(/C=C(/C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccc(O)cc1 216501613 GNZWOUZPZXIZJT-FLFQWRMESA-N 452.558 4.170 50 10 JIGE Cc1cc(I)ccc1N/C=C(/C#N)C(=O)Nc1ccc(N)c(Cl)c1 217251847 CRLNKFKUVCHDFD-LUAWRHEFSA-N 452.683 4.293 50 10 JIGE CCC(CBr)(CBr)NC(=O)c1cccc(C)c1I 232863106 FKGCYHIHBMYSGT-UHFFFAOYSA-N 488.989 4.268 50 10 JIGE CCCCOc1ccc(C=NNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1 254286960 BQOFHIZJSYRURJ-UHFFFAOYSA-N 451.548 4.430 50 10 JIGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=C(C)c2ccc(F)cc2)cc1OC 254485623 IEDBFEBNKNPNNA-NOESGIFHSA-N 461.493 4.154 50 10 JIGE COc1cc(C=NNC(=O)Nc2ccccc2)ccc1OCCOc1ccc([N+](=O)[O-])cc1 254489431 WGGMBXAGQLXISB-UHFFFAOYSA-N 450.451 4.217 50 10 JIGE COc1cc(C=NNC(=O)c2cccnc2)ccc1OCC(=O)c1ccc(Cl)c(Cl)c1 254591966 SGISXWBXQSYACP-UHFFFAOYSA-N 458.301 4.423 50 10 JIGE Cc1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)c(O)c1 382713080 IHZAXHFZCGIMEA-FUHWJXTLSA-N 451.304 4.488 50 10 JIGE CCN(C[C@H](C)Br)S(=O)(=O)c1cc(Br)c(C)cc1Br 691369681 DIBYBPGOYXCVOT-VIFPVBQESA-N 478.044 4.314 50 10 JIGE C[C@@H](OC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1)C(=O)N(C)C1CCCCC1 761396123 BYORDCSTQBIDLD-DSPRMBBKSA-N 459.550 4.094 50 10 JIGE Cc1cc(/C=C(/C#N)C(=O)N2CCC(N3CCNC3=O)CC2)c(C)n1-c1cccc(C(F)(F)F)c1 917785734 DKVWSRDMFXHDAZ-UYRXBGFRSA-N 485.510 4.036 50 10 JIGE CCNC(=O)c1cccc(CNC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)c1 918581595 CAYMHTJRMPZYMQ-KGENOOAVSA-N 486.963 4.090 50 10 JIGE O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)NN=Cc1c(F)cccc1Cl 1084247207 PFTZJABZERYIND-UHFFFAOYSA-N 480.348 4.478 50 10 JIGE COc1cc(/C=C\C(=O)NN)cc(I)c1OCc1ccc(Cl)c(Cl)c1 1084458444 BFSGWIAHPYUGGJ-HYXAFXHYSA-N 493.128 4.189 50 10 JIGE N#C/C(=C/c1cn(CC(=O)N2CCCC2)c2ccc(Br)cc12)C(=O)NCc1cccs1 1084628910 NKBXZYKENYETFQ-YBEGLDIGSA-N 497.418 4.311 50 10 JIGE O=C(NNc1nc(=NCc2cccc(Cl)c2)nc(NO)[nH]1)N(c1ccccc1)c1ccccc1 1088710674 AKDQPWRZFLIDPR-UHFFFAOYSA-N 476.928 4.235 50 10 JIGE CC(=O)N(CCC(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2)Cc1ccccc1 1135453738 RVOWLYLJNFARKS-HXUWFJFHSA-N 455.624 4.099 50 10 JIGE O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)NN=Cc1cccc(O)c1 1565519280 JKWGRLKZPBMVSX-UHFFFAOYSA-N 492.384 4.040 50 10 JIGE C/C(=C\c1c(Cl)cccc1Cl)C(=O)NNC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1636369609 KAJAHCRKJJPTMS-CMPYXILNSA-N 456.370 4.191 50 10 JIGE C=C(C)[C@@H](NC(=O)NNC(=O)Nc1cc(Cl)c(OC)cc1OC)c1ccc(F)c(F)c1 1671851405 FUBRIAZESDNPEH-GOSISDBHSA-N 454.861 4.289 50 10 JIGE Cc1c(C(=O)N2CCC(C)CC2)oc2c1C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772747618 KBHKPBLPKKOCFQ-UHFFFAOYSA-N 472.929 4.492 50 10 JIGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](C)N3C(=O)c4ccccc4C3=O)n2)c(OC)c1 1872755504 QYEYLFKAFKPZSC-HZWATPOSSA-N 461.499 4.305 50 10 JIGE C=CC[C@H](CBr)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 1885070038 KZYPRFMCPYXEQM-MRVPVSSYSA-N 451.995 4.374 50 10 JIGE BrCC1(N(Cc2ccccc2)c2ncncc2I)CCC1 1915751164 PKWGZSYSKVWVQS-UHFFFAOYSA-N 458.141 4.405 50 10 JIGE Brc1cc(I)cnc1N1CCC[C@H](Br)CC1 1988531622 VIKOOOKVQLYNHW-QMMMGPOBSA-N 459.951 4.203 50 10 JIGE Cc1nc(I)c(I)n1-c1nccc(CCl)c1Cl 2008097388 RLNULYPSOQYOMH-UHFFFAOYSA-N 493.901 4.177 50 10 JIGE CC1(C)C[C@@H](Br)CN1C(=O)c1ccc(I)c(Br)c1 2037351539 SONKRNMEDMVBOE-SECBINFHSA-N 486.973 4.442 50 10 JIGE Cn1nc([C@@H](Br)c2cc(I)cc3c2OCC3)cc1Br 2094079862 JECGWXLJGFGKRD-LBPRGKRZSA-N 497.956 4.206 50 10 JIGE O=C(c1ccc(Br)cc1Br)N1CC(F)(F)C[C@H]1CBr 2102792722 WBBFWLHZJTWTSD-QMMMGPOBSA-N 461.926 4.456 50 10 JIGE O=C(N[C@@H]1C[C@H](CCl)[C@@H]2C[C@H]12)c1cc(I)ccc1Br 2110548208 GAHBHSRKYLPKFS-ZRPKBAQZSA-N 454.533 4.047 50 10 JIGE CN(C[C@@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1ccsc1CBr 2123283675 KDLKBWCJKHPYNJ-KRWDZBQOSA-N 457.459 4.176 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CC[C@H](Cl)[C@H]1C1CC1 2130607799 PIOPKXDHWYOVIT-WCQYABFASA-N 454.533 4.286 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CC[C@H](Br)[C@@H]1C1CC1 2130627749 OESCYMWMSDPEMI-GWCFXTLKSA-N 498.984 4.442 50 10 JIGE C#CC[C@](C)(CBr)CNC(=O)c1cc(Cl)ccc1I 2140715801 VMMVLLGWECFJOW-CQSZACIVSA-N 454.533 4.099 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@@H](CBr)C2(CC2)C1 2144088689 QFMACYGQZIBAIC-SECBINFHSA-N 488.039 4.007 50 10 JIGE O=C(NC[C@@]1(CBr)CCCOC1)c1c(Br)cccc1Br 2150496247 SSLIAZDEGOJECX-AWEZNQCLSA-N 469.999 4.133 50 10 JIGE O=S(=O)(NC[C@@H]1CCCC2(CCC2)[C@H]1Br)[C@H]1C[C@H](OCc2ccccc2)C1 2161299047 WJEBUBHAIDNYAJ-MUGJNUQGSA-N 456.446 4.388 50 10 JIGE Clc1ccc(I)c(CN2CCC3(CC2)C[C@@H](Br)CO3)c1 2173143806 QNKIZFFDLYSVPN-GFCCVEGCSA-N 470.576 4.463 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1[C@H]2CC[C@@H](C2)[C@@H]1CBr 2178706249 QJAAFAOQDGIWNV-PEXQALLHSA-N 488.039 4.148 50 10 JIGE C[C@H]1CN(S(=O)(=O)c2ccc(F)c(CBr)c2)[C@@H](C)CN1Cc1ccccc1 2179785383 LJNUNCINADHGHV-HOTGVXAUSA-N 455.393 4.004 50 10 JIGE O=S(=O)(c1ccc(CBr)cc1Cl)N1C[C@@H]2[C@H](CCN2Cc2ccccc2)C1 2188889259 XWMJFCKETVURTB-IEBWSBKVSA-N 469.832 4.130 50 10 JIGE Cc1cc(CBr)cc(S(=O)(=O)N(C)C[C@H]2C[C@H]2Br)c1Br 2196934076 DGVWGINSNMTXMT-GHMZBOCLSA-N 490.055 4.056 50 10 JIGE C[C@H]1C[C@H](Br)CN(C(=O)Cc2cc(Br)cc(Br)c2)C1 2277916493 OAYOOQGJLILAEQ-ZANVPECISA-N 454.000 4.386 50 10 JIGE CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@@H](Br)C2CCCC2)[C@H](C(F)(F)F)C1 2281010797 ZFTNIUJKOGIFTA-RDBSUJKOSA-N 457.331 4.387 50 10 JIGE COc1ccc(CCN2C(=O)C(=CNc3cccc(Cl)c3)C(C)=C(C#N)C2=O)cc1OC 2314578772 ATOFVRNDDCDMHY-UHFFFAOYSA-N 451.910 4.105 50 10 JIGE COc1ccc([N+](=O)[O-])cc1NC=C(C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324609680 JSAXLVWTACBXNN-UHFFFAOYSA-N 497.555 4.357 50 10 JIGE N#CC(=Cc1cccc(F)c1)C(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 2329667479 VPBDVQNLIVPEFN-VWLOTQADSA-N 486.499 4.094 50 10 JIGE O=C(N[C@H]1C[C@@H](CBr)[C@@H]2C[C@H]12)c1cc(Br)cc(Br)c1 2329869353 BUXKASFAYLEXOU-WTFGDDLMSA-N 451.984 4.361 50 10 JIGE O=P(C[C@@H](CO)P(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 8445334 STMQJBRDKDXHAM-HHHXNRCGSA-N 460.450 4.376 50 10 JIGE O=C(CCCOc1ccc(Cl)cc1Cl)NC(=S)NNC(=O)c1ccccc1Cl 12570220 URVGCCLQGWROHE-UHFFFAOYSA-N 460.770 4.142 50 10 JIGE CCCC(=O)Nc1ccc(C(=O)NNC(=O)c2cc(Br)ccc2OC(C)C)cc1 14668009 FFSRFORZFIMLSK-UHFFFAOYSA-N 462.344 4.050 50 10 JIGE O=C(CNc1ccc(Br)cc1C(=O)c1ccccc1)NNc1ccc([N+](=O)[O-])cc1 35549368 DHXWZYGJLGJUMT-UHFFFAOYSA-N 469.295 4.144 50 10 JIGE COc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C(/C#N)C(=O)Nc1ccccc1C 39858818 BBVUUFFUKGQNIT-SDXDJHTJSA-N 452.470 4.350 50 10 JIGE Cc1cc(C)cc(Oc2ncnc(NNC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2[N+](=O)[O-])c1 40582778 NOFFWVOEUJBPHP-UHFFFAOYSA-N 458.818 4.112 50 10 JIGE COc1ccccc1C(=O)NNc1ncnc(N(Cc2ccccc2)Cc2ccccc2)c1N 40709606 AHGPOBOEIYLYPU-UHFFFAOYSA-N 454.534 4.031 50 10 JIGE N#C/C(C(=O)COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)=C1/Nc2ccccc2S1 105819353 GESWWOGIMUXORT-XIEYBQDHSA-N 466.474 4.141 50 10 JIGE CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)COc2ccc(C)cc2Br)c(OC)c1 206233968 LQDMMYLNLBIBKD-YBEGLDIGSA-N 474.307 4.221 50 10 JIGE COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1 206395683 CYTVEONDWABCLW-SNKMFAENSA-N 483.480 4.446 50 10 JIGE CCOc1ccc(C)cc1[C@@H](C)NC(=O)/C(C#N)=C\N1CCN(c2cccc(Cl)c2)CC1 217186669 SNYWOLJCGMLZKD-QGBVPWCLSA-N 452.986 4.454 50 10 JIGE C[C@@H](NC(=O)/C(C#N)=C\NC1CCN(C(=O)OC(C)(C)C)CC1)c1ccc2c(c1)CCCC2 217205241 FQQGGHOLANGUCQ-LFTLAFEGSA-N 452.599 4.139 50 10 JIGE COc1ccc(/C=C/C(=O)Oc2cccc(C=NNC(=O)c3cc(OC)c(OC)c(OC)c3)c2)cc1 252614748 JMRNPQVNQOAORU-UBAHQRQVSA-N 490.512 4.104 50 10 JIGE CC[C@H]1CN(C(=O)c2cc(I)ccc2Br)C[C@H]1Br 399975297 KTWREPZKHRUVTN-QPUJVOFHSA-N 486.973 4.299 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CCC(F)(F)[C@H](CCl)C1 403999218 LKWUSBVQMJGNOO-MRVPVSSYSA-N 478.502 4.390 50 10 JIGE COc1ccc(C(=O)NNC(=O)[C@H](Oc2ccc(F)c(Cl)c2)c2ccccc2)c(OC)c1 730495038 FPQIMLKUPJGDKD-OAQYLSRUSA-N 458.873 4.078 50 10 JIGE CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@](C)(C(=O)OC)c2cccc(Br)c2)c1C 730990930 CPZMYKHCNFIADG-FUAYJARZSA-N 472.383 4.389 50 10 JIGE Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)cc12 916828698 NXQAIBYBPUYZPL-UHFFFAOYSA-N 455.883 4.032 50 10 JIGE C/C(=C\C(=O)NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)c1ccccc1Cl 1587194557 NZHMZCWUTRGBFZ-WUKNDPDISA-N 457.921 4.452 50 10 JIGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2)oc2c1C(=NNC(=O)c1ccccc1Cl)CCC2 1772744056 PNEHBGQKJRCWKP-UHFFFAOYSA-N 499.354 4.440 50 10 JIGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccccc1[N+](=O)[O-])C(C#N)=C(N)O2 1865715205 ZBSUXKKHONTBCO-LJQANCHMSA-N 453.861 4.413 50 10 JIGE CC(C)(C)OC(=O)N[C@H](CBr)Cc1ncc(Br)cc1Br 1882086656 DCAPVLRVKDPNCV-VIFPVBQESA-N 473.003 4.437 50 10 JIGE BrC[C@H]1CCN(Cc2ccc(I)c(Br)c2)C1 1904339173 PPVHNBDCRMKHMD-SNVBAGLBSA-N 458.963 4.271 50 10 JIGE CCN(C[C@](C)(CI)OC[C@@H](C)N1CCCCC1)C(=O)OC(C)(C)C 2066643498 ACVWYDIOZZTIHZ-APWZRJJASA-N 468.420 4.328 50 10 JIGE CC(C)(C)OC(=O)N1CCC(CI)(OC[C@@H]2CC23CCOCC3)CC1 2077642778 DNDZBNBGIHMRPL-HNNXBMFYSA-N 465.372 4.024 50 10 JIGE O=C(NC[C@@H](CCl)C1CCC1)c1cc(Br)ccc1I 2089969834 CNXYFDWLUWMLAK-SNVBAGLBSA-N 456.549 4.439 50 10 JIGE O=C(NC[C@]1(F)C[C@@H](CBr)C1)c1ccc(I)c(Cl)c1 2112234154 BLOFSGVOFROVOI-KTLJEJPDSA-N 460.512 4.188 50 10 JIGE CC1(C)[C@@H](Br)CC[C@@H]1NS(=O)(=O)c1cc(Cl)c(Br)s1 2142124206 VYPRPMNRKUDWSR-YUMQZZPRSA-N 451.633 4.394 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@H]2C[C@H]1CC[C@H]2Br 2142278815 ILWGZGDHUMGOFZ-HLUHBDAQSA-N 498.984 4.442 50 10 JIGE ClCc1nc2cc(Br)ccc2n1CCn1cc(I)cn1 2153498350 DJCHGMYELMAERR-UHFFFAOYSA-N 465.520 4.039 50 10 JIGE COc1cc(Br)c([C@@H](Cl)c2cnn(C)c2I)cc1C 2227735996 VHNSEERMJOUEAQ-GFCCVEGCSA-N 455.521 4.432 50 10 JIGE COc1ccc(C(=O)Oc2cc(C=C(C#N)C(=O)Nc3cccc(C(=O)O)c3)ccc2OC)cc1 2295459619 GIADFGAISOZQMP-UHFFFAOYSA-N 472.453 4.167 50 10 JIGE C=CCOc1c(Br)cc(C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC 2313518478 FPCSFGBRPKWCRD-UHFFFAOYSA-N 458.268 4.476 50 10 JIGE C=CC[C@@H](Br)[C@@H]1CCN1C(=O)c1ccc(Cl)c(I)c1 2335812142 YPSJKFWOHKUMAS-MFKMUULPSA-N 454.533 4.499 50 10 JIGE O=C(CCc1ccccc1Cl)NNC(=O)COc1ccc(Br)cc1Br 10458807 KLRSMIJJGNOINF-UHFFFAOYSA-N 490.579 4.024 50 10 JIGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(Nc2ccc(F)c(F)c2)c1[N+](=O)[O-] 40659555 QLKYKEFKHAJMMZ-UHFFFAOYSA-N 485.234 4.236 50 10 JIGE CCCCCN1C(=O)/C(=N\NC(=O)c2ccc([N+](=O)[O-])cc2)c2cc(Br)ccc21 40846263 WKZSUQVTFNVVSD-PYCFMQQDSA-N 459.300 4.028 50 10 JIGE CCOC(=O)/C(C#N)=C\Nc1scc2c(C(=O)OCC)nn(-c3ccc(C(C)(C)C)cc3)c(=O)c12 106719663 ZWFUHHBBICGQOZ-SQFISAMPSA-N 494.573 4.304 50 10 JIGE COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2cn(C)c3ccccc23)cc1OC 254381224 HZNCMBHUSXAKSI-ABYCAZMJSA-N 482.540 4.117 50 10 JIGE Cc1ccc(CSc2nnc(SCC(=O)NN=Cc3ccc([N+](=O)[O-])cc3)s2)cc1 254412366 SKNDUQPFYFGRBU-UHFFFAOYSA-N 459.578 4.289 50 10 JIGE O=C(Cl)c1cc(Br)c(I)cc1I 575686385 MVKCNWDYGAZMAJ-UHFFFAOYSA-N 471.257 4.037 50 10 JIGE C[C@H]1Cc2cc(Br)cc([C@@H](Cl)c3cnn(C)c3I)c2O1 720126908 VNHWLAALYHVVEF-JVXZTZIISA-N 467.532 4.439 50 10 JIGE CCc1cccc(C)c1NC(=S)NNC(=O)C1CCN(c2nc3ccccc3s2)CC1 727493005 FYIMEZKSVOTDCY-UHFFFAOYSA-N 453.637 4.401 50 10 JIGE CC[C@H](C)NC(=O)c1cccc(CNC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)c1 918596727 GOUCGMNGXPZXMS-WEKPXBEKSA-N 480.572 4.215 50 10 JIGE C#CCN(CC(=O)OC(C)(C)C)C(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C 1437439378 DJKVKOMNUGOERE-XSFVSMFZSA-N 451.954 4.458 50 10 JIGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@@H](c2cccc(OC)c2OC)C(C#N)=C(N)O3)cc1 1865701161 NTBMXLHOPIWVEI-QFIPXVFZSA-N 481.512 4.178 50 10 JIGE O=C(CN1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)N(CCCl)CCCl 1866306505 JCGWNWLYLLXILP-UHFFFAOYSA-N 466.963 4.202 50 10 JIGE CC(C)(NC(=O)C[C@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)Nc1ccc(SC#N)cc1 1866729899 RZFCTDPFGACQRF-FQEVSTJZSA-N 465.575 4.448 50 10 JIGE Cc1oc(-c2ccc(C(C)C)cc2)nc1CC(=O)N[C@@H](CO)C(=O)Nc1ccc(SC#N)cc1 1867182843 XUGMDLJMWKKQRY-QFIPXVFZSA-N 478.574 4.005 50 10 JIGE C[C@H](CCBr)N(C)C(=O)c1cc(I)ccc1Br 1917084135 JKXLLPNYOOLDMN-MRVPVSSYSA-N 474.962 4.299 50 10 JIGE O=S(=O)(CCC(CCl)CCl)NCCCN(Cc1ccccc1)Cc1ccccc1 1958798690 GCAHYACPQYGUCC-UHFFFAOYSA-N 457.467 4.482 50 10 JIGE CC1(C)[C@H](Br)CCN1c1ncc(I)cc1Br 1988539309 GRDHNIHSRGZDTE-SECBINFHSA-N 459.951 4.201 50 10 JIGE CC[C@H](C)[C@H](CI)NC(=O)c1cc(I)ccc1F 2081244956 BFMJXIFYKWSOJH-UFBFGSQYSA-N 475.083 4.010 50 10 JIGE CC1(C)[C@@H](CBr)OCCN1C(=O)c1c(Br)cccc1Br 2159640205 QCTMINHHQFZDEV-LLVKDONJSA-N 469.999 4.226 50 10 JIGE O=S(=O)(c1cc(CBr)cs1)N1CCCN(Cc2ccccc2)CC(F)(F)C1 2179809300 RUAAXMRPZLGKCL-UHFFFAOYSA-N 479.412 4.175 50 10 JIGE O=S(=O)(c1csc(CBr)c1)N1CCC[C@H]1[C@H]1CCN(Cc2ccccc2)C1 2179823031 DKQGZEAWDNLFJJ-PXNSSMCTSA-N 469.470 4.318 50 10 JIGE O=C(c1cc(I)sn1)N1CCC(CCCCBr)CC1 2267930486 ZCDJAONQNMVVDM-UHFFFAOYSA-N 457.175 4.165 50 10 JIGE C=CC[C@@]1(CBr)CCN(C(=O)c2c(F)cccc2I)C1 2287789637 FHAGQZACGMZBQR-HNNXBMFYSA-N 452.105 4.234 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)NC[C@H](CBr)C(F)(F)F 2295310982 DWCQGEJGYZTZKJ-QMMMGPOBSA-N 481.932 4.444 50 10 JIGE N#CC(=Cc1c(Oc2ccc(Cl)cc2)nc2ccccn2c1=O)S(=O)(=O)c1ccccc1 2296543571 NFVAHYHOTQIFEF-UHFFFAOYSA-N 463.902 4.479 50 10 JIGE N#CC(C(=O)NCCc1ccccc1)=C1N=C(NC(=O)c2ccc(Br)cc2)c2ccccc21 2296842971 QETFOKPPBQSQPA-UHFFFAOYSA-N 499.368 4.233 50 10 JIGE N#CC(=Cc1ccc(CNS(=O)(=O)c2ccccc2)o1)C(=O)Nc1cccc(C(F)(F)F)c1 2297561972 NNMGHHQMNNMTHT-UHFFFAOYSA-N 475.448 4.323 50 10 JIGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 2314610834 MVLZXVDTZLWIST-UHFFFAOYSA-N 467.485 4.448 50 10 JIGE CCCOc1c(C=NNC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cccc1OC 2328827672 XQMPEXPNFRTRPC-FQEVSTJZSA-N 455.555 4.070 50 10 JIGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3ccc(C)c(Br)c3)cc2)c1 12487300 XAFDYLVQBCVBMQ-UHFFFAOYSA-N 466.335 4.393 50 10 JIGE Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)c1cccc(OCc2cscn2)c1 16201177 DHLDJSSYCMGLFI-UHFFFAOYSA-N 450.545 4.229 50 10 JIGE Cc1cccc(C(=O)NNC(=O)c2ccc(CSc3nc(C)cc(C(F)(F)F)n3)o2)c1 23002777 RKDFAUIDLJXRHU-UHFFFAOYSA-N 450.442 4.072 50 10 JIGE COCCCNC(=O)c1oc2c(c1C)/C(=N/NC(=O)Cc1coc3c(C)c(C)ccc13)CCC2 40826588 CWTCOVWRVMFQFU-VFCFBJKWSA-N 465.550 4.117 50 10 JIGE CCCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(N)=O)cc2OC)cc1OC 206501485 HXLJOMALBGQVDE-XUPLFRGXSA-N 464.518 4.284 50 10 JIGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccc(SC)cc3)nc3ccccc3c2=O)cc1 254485236 LNQNYJYJGCAJHM-UHFFFAOYSA-N 490.610 4.359 50 10 JIGE COc1ccc(N(CC(=O)NN=C(C)CCc2ccccc2)S(=O)(=O)c2ccccc2)cc1 254818176 ISBYMEQWMBOXMN-UHFFFAOYSA-N 465.575 4.015 50 10 JIGE Cc1ccccc1CN(C)C(=O)[C@H](C)OC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1 853447042 BZOUQIFGQHMOQP-DOZBRYHWSA-N 481.556 4.269 50 10 JIGE O=C(CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NN=Cc1cc(Cl)cc(Cl)c1O 1084378559 KBGWOHHEUKUUBH-UHFFFAOYSA-N 451.188 4.188 50 10 JIGE C#CCOc1ccccc1NC(=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 1676480297 YDXDKGYZZCYLIG-UHFFFAOYSA-N 451.486 4.018 50 10 JIGE CC(=O)N(C)c1ccc(CNC(=O)NNC(=O)c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)cc1 1684081822 BOYHEBXZUAPXFG-GOSISDBHSA-N 456.612 4.026 50 10 JIGE CCN(CC)C(=O)COc1ccc(/C=N\NC(=O)c2ccc(-c3ccccc3OC)nc2C)cc1 1865762392 CSFHPULPRMTCMT-QRQIAZFYSA-N 474.561 4.077 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N(C)CC2(CBr)CC2)cc1Br 1915547750 WEQUYULIFNINAX-UHFFFAOYSA-N 490.055 4.316 50 10 JIGE CN(C[C@H]1C[C@H](Br)C1)C(=O)c1cc(I)ccc1Br 2076208827 OTJQBTRXCNTRHS-KYZUINATSA-N 486.973 4.299 50 10 JIGE CC1(C)[C@H](CBr)OCCN1C(=O)c1csc(Br)c1Br 2103406801 XOGDBDMYUZHGJK-QMMMGPOBSA-N 476.028 4.288 50 10 JIGE Cc1ccc(C(=O)NC2(CCBr)CCSCC2)cc1I 2232836195 DOQLPJBMPFHEJC-UHFFFAOYSA-N 468.198 4.380 50 10 JIGE O=C(NC[C@@H]1CC[C@H](CBr)CO1)c1c(Br)cccc1Br 2279401649 MUXWFJXPCDCXNY-ZJUUUORDSA-N 469.999 4.132 50 10 JIGE O=C(c1cc(I)ccc1Br)N1[C@H]2CC[C@@H]1C[C@H]2CCl 2330468835 HNFJBXQGWHYYGT-PLMOITTCSA-N 454.533 4.286 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@H]2CC[C@H]1C[C@@H]2Cl 2337152812 HDPCUPILOKQJDQ-QRTLGDNMSA-N 454.533 4.286 50 10 JIGE C[C@@H]1CCC[C@](CBr)(NS(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2364194811 JUWICQJMMCUDGA-VGSWGCGISA-N 499.471 4.106 50 10 JIGE C[C@@H](Br)C[C@@H]1CCCCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364201074 BDXMHGFQXGNVPA-MSOLQXFVSA-N 499.471 4.201 50 10 JIGE Cc1cc(Br)cc(C)c1OCC(=O)NN=Cc1cc2c(cc1Br)OCO2 8448753 DIOCLRCYPYXCJE-UHFFFAOYSA-N 484.144 4.086 50 10 JIGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)COc1cccc2ccccc12 12574074 LNIYJUQYBCAVNO-ZDUSSCGKSA-N 492.384 4.015 50 10 JIGE CCCOc1cccc(C(=O)NC(=S)NNC(=O)CCCOc2ccc(Cl)cc2Cl)c1 14641568 QVKNYEAPWRVAES-UHFFFAOYSA-N 484.405 4.277 50 10 JIGE N#C/C(=C/c1cccc(OC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1)c1ccccc1F 31902816 SHLZYRLXZKODMF-PGMHBOJBSA-N 492.528 4.130 50 10 JIGE COc1cc(/C=C\C#N)ccc1OC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 41015727 JISVEUCMTLNRAZ-LWAZDOKKSA-N 452.466 4.045 50 10 JIGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccc4c(c3)OCO4)cc2)cc1 58893715 PIDQBWVNHGQNNI-YFKXRKALSA-N 476.529 4.357 50 10 JIGE CN(Cc1cc(Br)cs1)S(=O)(=O)c1cc(CCl)oc1Br 91271711 SIVFYCCQYYZCNL-UHFFFAOYSA-N 463.600 4.426 50 10 JIGE N#C/C(=C/c1ccccc1)C(=O)Oc1ccc2cc(C(=O)NCCc3ccccc3)c(=O)oc2c1 206542080 KGBXEPCAEUIMSJ-JCMHNJIXSA-N 464.477 4.278 50 10 JIGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C)C(=O)C(C#N)=C2C)cc1F 214204257 FQYZQPVOGRFRGD-NDENLUEZSA-N 456.477 4.299 50 10 JIGE COc1ccc(SCC(=O)NN=Cc2cc(C)n(-c3ccc(C(=O)O)cc3C)c2C)cc1 252613457 JBTANNHHZMWGKT-UHFFFAOYSA-N 451.548 4.352 50 10 JIGE Cc1cccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)COc2ccc([N+](=O)[O-])cc2)c1 254383835 CBIHKOQSMFMPGC-UHFFFAOYSA-N 455.474 4.285 50 10 JIGE COc1ccc(CC(=O)Nc2ccc(C(C)=NNC(=O)c3ccc(OC)cc3OC)cc2)cc1 254757194 DQNFTYPREFBMTL-UHFFFAOYSA-N 461.518 4.048 50 10 JIGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(O)(c3ccccc3)c3ccccc3)cc2)cc1 263632064 JXQMKJDDANKFQE-UHFFFAOYSA-N 480.520 4.301 50 10 JIGE CC[C@@H](Br)c1cn(-c2cc(I)ccc2Br)nn1 304193778 JBYXYJDWDNLSTM-MRVPVSSYSA-N 470.934 4.480 50 10 JIGE Cc1c(Br)cc(CCl)cc1S(=O)(=O)N1CC[C@H](OCc2ccccc2)C1 383926964 UGDCYEYWKZZUDY-KRWDZBQOSA-N 458.805 4.476 50 10 JIGE FC(F)(F)Oc1cnc(Br)c(CBr)c1I 396176462 BRXCGGKWHMTNGH-UHFFFAOYSA-N 460.813 4.242 50 10 JIGE COc1ccc(C(C)=NNC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)cc1 1083980114 HIOLDFWHAIRZRO-UHFFFAOYSA-N 471.966 4.084 50 10 JIGE Cc1cc(C=NNC(=O)Cc2cccc3ccccc23)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 1084342422 FWFGVSVWBCCLJK-UHFFFAOYSA-N 469.497 4.337 50 10 JIGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2ccc(O)c([N+](=O)[O-])c2)C1 1614615545 OBXZPAMJTIBKNC-HOTGVXAUSA-N 482.274 4.088 50 10 JIGE COC(=O)c1ccc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(C)cc2)CCC3)cc1 1772744481 DWZQUZQZFBMPAG-UHFFFAOYSA-N 460.486 4.373 50 10 JIGE COc1cccc(/C=N/NC(=O)[C@H](C)NC(=O)OC(C)(C)C)c1OCc1c(F)cccc1Cl 1873794636 RZHZDLWORQRYMH-IETDBYTCSA-N 479.936 4.430 50 10 JIGE O=C(c1cc(Br)c(Br)s1)N1C[C@@H](Br)C(F)(F)C1 1946671184 UQSQMVVYMYGOSW-ZCFIWIBFSA-N 453.928 4.128 50 10 JIGE C[C@H]1C[C@@H](CBr)CN1C(=O)c1cc(I)ccc1Br 2038890737 NOKXKZZWIUAFEY-IUCAKERBSA-N 486.973 4.299 50 10 JIGE C[C@@H](CCCCCI)NS(=O)(=O)c1cscc1Br 2054155668 SPEOJHJTFZGSFM-VIFPVBQESA-N 466.204 4.173 50 10 JIGE CCc1cc(I)c(CBr)c(I)c1 2060219761 FZYRIEFENYCDBK-UHFFFAOYSA-N 450.883 4.353 50 10 JIGE O=C(N[C@@H]1C[C@H](CBr)[C@H]2C[C@H]21)c1ccc(I)c(Cl)c1 2110550334 SADAHLHMOOTJBN-VWMGYNLJSA-N 454.533 4.094 50 10 JIGE C[P@]1(=O)C[C@H](Br)[C@H](NC(=O)c2cc(Br)cc(Br)c2)C1 2121336576 HNXGHKBDUITWNY-QQKBFRNYSA-N 473.927 4.080 50 10 JIGE CN([C@H]1CC[C@@H]1OCc1ccccc1)S(=O)(=O)c1ccc(F)c(CBr)c1F 2179861213 DROCOAGYDWECOO-IRXDYDNUSA-N 460.340 4.228 50 10 JIGE Clc1ccc(I)c(CN2CCO[C@@H]3C[C@H](CBr)C[C@H]32)c1 2199761025 ACWVHHGBRLXGCA-VCTAVGKDSA-N 470.576 4.319 50 10 JIGE CC(C)([C@H](Br)Cc1cc(Br)cc(Br)c1)S(C)(=O)=O 2263518619 HADAAJKQBJHPGV-LLVKDONJSA-N 463.029 4.341 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@@H](Br)C[C@@H](F)C1 2277924675 DAPMSNIASSKUED-NWDGAFQWSA-N 457.963 4.088 50 10 JIGE O=S1(=O)CCCC[C@@H]1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2277961407 SYFAHGCCHSSPTD-QWHCGFSZSA-N 475.040 4.485 50 10 JIGE C[C@@H](CBr)[C@H]1CCCCN1C(=O)c1c(F)cccc1I 2282793243 YTEDHVZFJGGHIR-GXFFZTMASA-N 454.121 4.456 50 10 JIGE C=CCNC(=O)C(C#N)=C1S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(OC)cc1 2314592879 DCSZNVFCGFDWIK-FQEVSTJZSA-N 498.402 4.186 50 10 JIGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)CCc2ccc(C(C)C)cc2)c(OC)c1 2314790240 RQTYEKCASGLCIZ-UHFFFAOYSA-N 450.535 4.026 50 10 JIGE O=C(N[C@H]1C[C@@H]2C[C@H]1C[C@H]2Br)c1ccc(Cl)cc1I 2340052832 SYPXSRZWBCJRGP-RKXYQDBHSA-N 454.533 4.236 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1[C@H]2CC[C@@H](C2)[C@@H]1CBr 2340055754 AVDJDBKKKQNXKU-FWDPORAESA-N 454.533 4.333 50 10 JIGE CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C/c2ccc(OC)c(OC)c2)c(OCC)c1 957996 BGXWNEHUNSNHCI-VIVFWABWSA-N 451.475 4.191 50 10 JIGE CCOc1cc(C(=O)NNC(=O)c2cn(C)c3ccccc23)ccc1OCCOc1ccccc1 10736380 VJVXWYWVOCTRMN-UHFFFAOYSA-N 473.529 4.110 50 10 JIGE O=C(CCCOc1ccc(Cl)cc1Cl)NC(=S)NNC(=O)c1ccc(Cl)cc1 12570218 ZOKQFWMLPHDMBU-UHFFFAOYSA-N 460.770 4.142 50 10 JIGE COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OC(=O)c1cc2ccccc2oc1=O 33470807 FDRHWIRANWDGDH-BKUYFWCQSA-N 480.476 4.244 50 10 JIGE COCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccc(C)cc3)c(OC)c2)C1=O 38606454 ZUUACVKMFNYATA-HYARGMPZSA-N 460.530 4.211 50 10 JIGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)c1 38659861 ICYACSZMZIVWBB-SGANQWHYSA-N 490.487 4.434 50 10 JIGE COc1cc2c(cc1NC(=O)CC(C)=NNC(=O)C(=O)Nc1ccccc1OC)oc1ccccc12 254452514 ROAKGBUKBOEKRV-UHFFFAOYSA-N 488.500 4.063 50 10 JIGE CN1C[C@H](CI)[C@H](c2cc(Br)cc(Br)c2)C1 382739786 YXFVOMJITYRTDH-CABZTGNLSA-N 458.963 4.292 50 10 JIGE O=S(=O)(CCOc1c(Br)cc(CCl)cc1Br)C(F)(F)F 697021925 SQOFQFDHMWKAFE-UHFFFAOYSA-N 460.493 4.264 50 10 JIGE CC1(C)CC[C@@H](CBr)N(C(=O)c2ccc(I)c(O)c2)C1 701596692 RRVUYZKAKUURRG-NSHDSACASA-N 452.130 4.023 50 10 JIGE COc1ccccc1N1C(=O)C(O)=C(C(C)=NNC(=O)c2ccccc2O)[C@@H]1c1ccccc1 725431973 ATQCIABWJRHFRX-QHCPKHFHSA-N 457.486 4.107 50 10 JIGE COc1ccc(Cl)cc1NC(=O)C(=O)NN=Cc1cc(C)n(-c2c(C)cccc2C)c1C 1084244184 NHHSQDCFZRPGPI-UHFFFAOYSA-N 452.942 4.462 50 10 JIGE C[C@H](SCc1ccccc1)C(=O)NN=C1C(=O)N(CCOc2ccccc2)c2ccccc21 1084258849 KCMMZFQGCXVYKD-IBGZPJMESA-N 459.571 4.254 50 10 JIGE Cc1c(C(=O)NNC(=O)COc2ccccc2)oc2c1C(=NNc1ccccc1)CC(C)(C)C2 1772729397 MMQSXRYZURHTOL-UHFFFAOYSA-N 460.534 4.217 50 10 JIGE CN(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)cc1 1865683941 QWRUNFCMQQZCBA-SFHVURJKSA-N 457.431 4.373 50 10 JIGE Cc1nc(-c2cnccn2)sc1C(=O)NNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1865757580 KFOFUFWITXGWBH-UHFFFAOYSA-N 475.374 4.021 50 10 JIGE O=S(=O)(N[C@H](CCBr)COCc1ccccc1)c1ccc(Br)s1 1902836543 XYTGEUGUHAFLST-CYBMUJFWSA-N 483.247 4.159 50 10 JIGE CN(CC(F)(F)CBr)C(=O)c1csc(Br)c1Br 1945725326 HZAFPEZAGQJHJQ-UHFFFAOYSA-N 455.944 4.375 50 10 JIGE CC(C)(C)OC(=O)NCCN(Cc1ccccc1)S(=O)(=O)c1ccc(CBr)cc1 1959550529 AFVWRWMMFJGCMA-UHFFFAOYSA-N 483.428 4.297 50 10 JIGE CCOC(=O)c1c(CBr)cc(I)cc1OC(F)(F)F 2055274951 FLJSOBPKYQWJGH-UHFFFAOYSA-N 452.992 4.261 50 10 JIGE CCC[C@](C)(CBr)NS(=O)(=O)c1cc(Br)ccc1Br 2090406650 KLISGWKGYKVAJW-GFCCVEGCSA-N 478.044 4.444 50 10 JIGE C[C@]12CN(C(=O)c3cc(Cl)ccc3I)C[C@]1(CBr)C2 2109180832 CBLONWMMJQNGQB-UONOGXRCSA-N 454.533 4.192 50 10 JIGE Cc1csc(CBr)c1S(=O)(=O)N(Cc1ccccc1)C1CCN(C)CC1 2123244669 ZNBQUJGKEZAYIM-UHFFFAOYSA-N 457.459 4.237 50 10 JIGE O=S(=O)(c1ccc(CBr)c(Br)c1)N1CCC(=CBr)C1 2123365829 PORMYGMQYRBIBT-UHFFFAOYSA-N 474.012 4.017 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CC2(CC(CBr)C2)C1 2129954416 IUCSPDWFOOLZFY-UHFFFAOYSA-N 498.984 4.301 50 10 JIGE C[C@@H]1C[C@H](CCl)CN(C(=O)c2ccc(Br)cc2I)C1 2142286662 GNOHMPQTBIJTNI-NXEZZACHSA-N 456.549 4.391 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2C[C@H](CBr)C[C@H]2C)cc1Br 2156539693 PEVJQWDPQFZIHJ-ZJUUUORDSA-N 490.055 4.314 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1[C@H]2CC[C@H](Cl)[C@H]1CC2 2229863982 DKIYGVSFVBIDKT-XHVZSJERSA-N 454.533 4.428 50 10 JIGE COCCCCCCO[C@@]1(CI)CCCN(C(=O)OC(C)(C)C)C1 2249961913 IRLSJGKUOLQRGT-GOSISDBHSA-N 455.377 4.415 50 10 JIGE O=C(NCCSCCCBr)c1ccc(I)c(Cl)c1 2314071616 MEDLUFLAZVYKQN-UHFFFAOYSA-N 462.578 4.193 50 10 JIGE O=C(N[C@H](CBr)CC(F)F)c1ccc(Cl)cc1I 2317768093 DUANAVPZMQXXRY-ZETCQYMHSA-N 452.464 4.093 50 10 JIGE Clc1ccc(I)cc1CN1[C@H](CBr)C[C@H]2OCC[C@H]21 2352410290 GKETUSJWEXYJNK-IACUBPJLSA-N 456.549 4.071 50 10 JIGE CCOCCOc1cccc(C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)c1 10216625 RMJJGXJEEUOFCO-UHFFFAOYSA-N 493.398 4.002 50 10 JIGE C=CCNC(=O)/C(C#N)=C\c1ccc(OC(=O)COc2cc(C)c(Cl)c(C)c2)c(OC)c1 33678936 ZBUYIJCUPHFTFY-WQRHYEAKSA-N 454.910 4.159 50 10 JIGE COc1cc([C@H]2C(C#N)=C(N)N3C(=S)N(c4ccccc4)C(=O)[C@@H]23)ccc1OCc1ccccc1 39793521 LHYDBEOANXEHOK-BJKOFHAPSA-N 482.565 4.068 50 10 JIGE O=C(NNc1ncnc(Nc2ccccc2Cl)c1[N+](=O)[O-])c1ccc(Br)cc1 40648147 RDGBFGXPRRWKIK-UHFFFAOYSA-N 463.679 4.301 50 10 JIGE COc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(C)c(C)c1 206405199 QIXCMHPMKQDXCI-NDENLUEZSA-N 460.486 4.113 50 10 JIGE CCCOc1ccccc1/C=C(\C#N)C(=O)Oc1ccc(/C=C(/C#N)C(=O)NC(C)C)cc1OC 206990781 VAWRJGKMAZEXBN-ZSUPECQLSA-N 473.529 4.428 50 10 JIGE O=C(NN=Cc1ccc([N+](=O)[O-])cc1)/C(=C/c1cccs1)NC(=O)c1ccccc1Cl 252620421 MDUSFGCZGNVEAE-VDFVIHNLSA-N 454.895 4.231 50 10 JIGE COc1cc(C=NNC(=O)[C@H](C)Oc2ccc(C)cc2Br)cc(Br)c1O 256017543 RQSYFXXJSGAWFG-NSHDSACASA-N 486.160 4.152 50 10 JIGE O=S1(=O)CC[C@H](C(CBr)(CBr)Cc2csc(Cl)c2)C1 378991712 KCWJOPMAFKOKGZ-JTQLQIEISA-N 450.645 4.155 50 10 JIGE FC(F)(F)c1cnc(N2CCS[C@H](CCBr)C2)c(I)c1 719979584 OZJRUNMNBJCGDU-SECBINFHSA-N 481.119 4.412 50 10 JIGE N#CCCn1cc(/C=C(\C#N)C(=O)NCc2ccc(OCC#N)cc2)c(-c2ccc(Cl)cc2)n1 727678791 FNQJGYRXPJUHDS-XSFVSMFZSA-N 470.920 4.243 50 10 JIGE COc1ccc(C(=O)NNC(=O)[C@@H](Oc2ccc(F)c(Cl)c2)c2ccccc2)c(OC)c1 730495037 FPQIMLKUPJGDKD-NRFANRHFSA-N 458.873 4.078 50 10 JIGE CC(=O)Nc1cccc([C@H](C)NC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)c1 914471436 AYILMIPIJWKGNG-OVBDPADQSA-N 452.518 4.207 50 10 JIGE O=C(NN=C/C=C/c1ccccc1[N+](=O)[O-])/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 1082990319 HRIIGAYNVHHCKT-UKOBHPGQSA-N 485.456 4.089 50 10 JIGE C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1CC=C 1083974717 OEJBVSPJDWCNAS-OQKWZONESA-N 490.401 4.445 50 10 JIGE Cc1ccc(OCC(=O)NN=C2C(=O)N(Cc3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1Cl 1084649692 IAJVKLMCGWIOBU-UHFFFAOYSA-N 478.892 4.003 50 10 JIGE C/C(=C/C(=O)NNc1ccccc1S(=O)(=O)NC(C)(C)C)c1cccc(C(F)(F)F)c1 1151653071 UMQXAVYVQWPGLL-OWBHPGMISA-N 455.502 4.329 50 10 JIGE C=C(Cl)C[C@H](NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(OC)cc2)c1C)C(=O)OCC 1544338477 GWJSRCXMROHDFY-JJEHFPDLSA-N 455.942 4.200 50 10 JIGE CC(=O)c1cc(Br)ccc1OCC(=O)NNc1ccc(Br)c(C)c1 1566612422 WGOOLDJFZFWKOO-UHFFFAOYSA-N 456.134 4.245 50 10 JIGE COc1ccc(OC)c([C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)c1 1614812306 ZAMCQQAFJCNCIA-LPHOPBHVSA-N 481.330 4.491 50 10 JIGE CC(=O)N1CCN(c2cccc(NC(=O)NNc3ccc(Cl)c(C(F)(F)F)c3)c2)CC1 1676416072 OPPSUGNHAKRHIQ-UHFFFAOYSA-N 455.868 4.176 50 10 JIGE CCCOc1cccc(/C=N/NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1 1860773764 DOQLJAWHXRHABK-MQZJMGIFSA-N 452.580 4.083 50 10 JIGE COc1ccc(-c2ccc(C(=O)NNC(=O)CCCOc3c(C)cccc3C)c(C)n2)cc1OC 1865759017 DWTCXVDRKSEVHG-UHFFFAOYSA-N 477.561 4.311 50 10 JIGE Cc1nc(I)c(I)n1-c1cccc(CCl)c1 1936387105 BINUBFLOEWGZTN-UHFFFAOYSA-N 458.468 4.129 50 10 JIGE O=C(N[C@H](CBr)C(F)(F)F)c1cccc(Br)c1Br 2031482539 TYGKFOURWDSIRS-SSDOTTSWSA-N 453.878 4.267 50 10 JIGE FC(F)Oc1cc(CBr)c(I)cc1I 2060287576 SHWMLLILKWJXKI-UHFFFAOYSA-N 488.835 4.392 50 10 JIGE O=C(CBr)c1ccc(OC(F)F)c(C(F)(F)F)c1I 2060378540 XZIPDPULNCCGAL-UHFFFAOYSA-N 458.946 4.489 50 10 JIGE O=C(c1cc(Br)cc(Br)c1)N1CC[C@@H]2[C@@H](CBr)[C@@H]2C1 2093136966 GPNOWVBZTFOHMS-JHJVBQTASA-N 451.984 4.315 50 10 JIGE CC1(C)[C@@H](CBr)OCCN1C(=O)c1cc(Br)sc1Br 2103389166 KEVUJQKMYPMZJV-MRVPVSSYSA-N 476.028 4.288 50 10 JIGE CC1=C(Br)CN(S(=O)(=O)c2cc(CBr)sc2Br)CC1 2123198330 BWPZTLRVCZDNKC-UHFFFAOYSA-N 494.068 4.469 50 10 JIGE COc1cccc(-n2ccnc2CCCN2C(=O)c3ccccc3C2=O)c1CBr 2138439197 BUJHTIAHWGFTDA-UHFFFAOYSA-N 454.324 4.005 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CC[C@H](CCl)C(F)(F)C1 2146383862 PNHQJZXZAOMTGV-MRVPVSSYSA-N 478.502 4.390 50 10 JIGE C[C@@H]1Cc2cc([C@H](Cl)c3cnn(C)c3I)cc(Br)c2O1 2146621712 PZTDSVPKVFXZQS-KRTXAFLBSA-N 467.532 4.439 50 10 JIGE CCN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)Cc1cccc(CBr)c1 2179784765 DEXPOQQDYZMXTC-OAQYLSRUSA-N 451.430 4.008 50 10 JIGE CN(C1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)S(=O)(=O)c1cc(CBr)cs1 2179823639 LSUYXXMFYFVPPS-DFNIBXOVSA-N 469.470 4.459 50 10 JIGE CC(C)n1cc(S(=O)(=O)N(C)C2CC(OCc3ccccc3)C2)cc1CBr 2179860550 UAUZJEFUUHKQPT-UHFFFAOYSA-N 455.418 4.332 50 10 JIGE O=S(=O)(c1ccc(CBr)c(Cl)c1)N1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 2187748456 PGWNMHNEZDRYNF-WMZOPIPTSA-N 469.832 4.130 50 10 JIGE COCCNCc1cc(Br)c(OC[C@H]2C[C@@H]2Br)c(Br)c1 2196906904 KVDNJRDXPHOXIH-MNOVXSKESA-N 472.015 4.110 50 10 JIGE COc1ccc(Br)c(CBr)c1OCc1c(Br)cnn1C 2236043803 WVBBWHPEOVYYAA-UHFFFAOYSA-N 468.971 4.428 50 10 JIGE ClCc1nc2cc(Br)ccc2n1CCn1cnc(I)c1 2237142592 CFMJYOUSTCVOII-UHFFFAOYSA-N 465.520 4.039 50 10 JIGE CC(C)[S@@](=O)(=NCC1(CBr)CC(F)C1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2265637622 CTRKNNGXNJVVRW-LWBQQJMFSA-N 455.434 4.385 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1C[C@H]2C[C@H](Br)C[C@H]2C1 2268338939 BBDWQFULUIRCSQ-URLYPYJESA-N 454.533 4.190 50 10 JIGE O=C(c1c(F)cccc1I)N1C[C@H]2C[C@H](Br)CC[C@H]2C1 2282804659 CELJLHPXWMZROJ-HBNTYKKESA-N 452.105 4.066 50 10 JIGE N#CC(=Cc1ccc(OC(=O)c2ccccc2[N+](=O)[O-])cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1F 2297551404 IASMZBZGOBUCND-UHFFFAOYSA-N 476.376 4.407 50 10 JIGE Cc1ccc(Cl)cc1NC(=O)C(C#N)=Cc1cc(Br)c(N2CCOCC2)o1 2313565232 OTTVBVJQCXZUIS-UHFFFAOYSA-N 450.720 4.386 50 10 JIGE O=C(N[C@H]1CC[C@@H]2C[C@]12CCl)c1cc(Br)ccc1I 2331769155 BHBBBMOBDIMQJS-CWONEXCFSA-N 454.533 4.191 50 10 JIGE O=C(c1ccc(Br)cc1I)N1[C@H]2CC[C@@H]1[C@@H](CCl)C2 2333351369 YXUPSSPQEDHYOL-DFAYQTQMSA-N 454.533 4.286 50 10 JIGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCCC[C@H]1CCCCl 2364192076 YPBDIUFNDZJNHQ-SFHVURJKSA-N 455.020 4.046 50 10 JIGE CC[C@@H](C)NC(=O)c1cc(NC(=O)C(Cl)Cl)ccc1N1CCN(c2ccccc2OC)CC1 742021 GDBUGGTUZYBJGO-MRXNPFEDSA-N 493.435 4.292 50 10 JIGE Cc1cc(OCC(=O)NNC(=O)[C@@H](C)Oc2c(C)cc(Br)cc2C)cc(C)c1Cl 14642962 BVXDAEWVGYMEPP-OAHLLOKOSA-N 483.790 4.330 50 10 JIGE CC(C)c1ccc(OCC(=O)NNC(=O)COc2ccccc2C(C)(C)C)c(Br)c1 14666833 RIQJASRQNPPTIO-UHFFFAOYSA-N 477.399 4.475 50 10 JIGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)O)cc2)ccc1OC(=O)c1cccc(F)c1 33510725 IVCPJTAKMOQIQM-WQRHYEAKSA-N 460.417 4.297 50 10 JIGE COc1ccc2c(c1)/C(=N\NC(=O)[C@@H](C)Oc1ccc(Cl)cc1C)C(=O)N2CCC(C)C 38180397 UJDVNEZVDRIBNQ-RAFCBBKXSA-N 457.958 4.338 50 10 JIGE COC(=O)c1ccc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2C)CCC3)cc1 40811482 ATSNGYVIKOWJLF-NHFJDJAPSA-N 460.486 4.373 50 10 JIGE COc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc(Br)c1O 100437515 VLMHBNNOEWUVNP-ZMOGYAJESA-N 468.307 4.180 50 10 JIGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccccc1CC 206738523 JRYUAJWFORTQKF-STZFKDTASA-N 474.513 4.448 50 10 JIGE C/C(C=NNC(=O)c1ccc(Cn2cc(Br)c([N+](=O)[O-])n2)o1)=C/c1ccccc1 252637635 XUWIIABDLLAHST-NCHMFJOZSA-N 458.272 4.014 50 10 JIGE C=CCn1c(S[C@@H](C)C(=O)NN=Cc2ccc(O)cc2)nnc1-c1ccc(Br)cc1 254738835 MRGJZJQJEXRINR-AWEZNQCLSA-N 486.395 4.230 50 10 JIGE Cc1c(C(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)nnn1-c1ccccc1Cl 728797031 ABCRTXKLRWPFOK-UHFFFAOYSA-N 479.899 4.022 50 10 JIGE C=CCc1cc(/C=C(\C#N)C(=O)N(C)C)cc(Br)c1OCc1ccc2c(c1)OCO2 1084131895 DZYBSYOLVGVZII-GIJQJNRQSA-N 469.335 4.480 50 10 JIGE CCOc1cc([C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CI)ccc1OC 1614688110 JAUXFQNJNBTLSR-GJZGRUSLSA-N 461.340 4.479 50 10 JIGE N#CSc1ccc(NC(=O)Nc2ncccc2OCC(=O)Nc2ccc(C(=O)O)cc2)cc1 1858831058 ICAONIVYGHDXOF-UHFFFAOYSA-N 463.475 4.014 50 10 JIGE COc1cccc(-c2ccc(C(=O)NNC(=O)CCC(=O)c3ccc(Cl)cc3)c(C)n2)c1 1865758835 UIINRTIGUGKPNY-UHFFFAOYSA-N 451.910 4.143 50 10 JIGE COc1ccc(CC(=O)NNC(=O)c2ccc(-c3ccc(Cl)cc3Cl)nc2C)c(OC)c1 1865759613 JUGGMVZMPHODRB-UHFFFAOYSA-N 474.344 4.385 50 10 JIGE Cc1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(c3ccc4oc(O)nc4c3)CC2)n1 1868479782 AZZZUHPLLVPDRJ-UHFFFAOYSA-N 459.535 4.275 50 10 JIGE O=C(N[C@@H](CBr)C(F)(F)F)c1scc(Br)c1Br 1942827857 FJOIJUMGWHLIRR-BYPYZUCNSA-N 459.907 4.329 50 10 JIGE C[C@@H](Br)C(C)(C)NC(=O)c1ccc(Br)cc1I 2026217373 KKWAVSKVLXUERO-SSDOTTSWSA-N 474.962 4.346 50 10 JIGE CC1(C)CN(C(=O)c2cc(I)ccc2Br)[C@@H]1CBr 2031679319 JPEKNHHMGGDXCM-LLVKDONJSA-N 486.973 4.299 50 10 JIGE COc1ccc(C=CC(=O)OCC(=O)N(NC(=O)Nc2ccccc2)c2ccccc2)cc1OC 2040475676 PBCILQNNCGNSTF-UHFFFAOYSA-N 475.501 4.030 50 10 JIGE C[C@](CCl)(NC(=O)c1cc(Br)ccc1I)C(F)F 2043175753 CYSOUKUXYYCORA-LLVKDONJSA-N 452.464 4.046 50 10 JIGE C[C@H](CO[C@]1(CI)CCCN(C(=O)OC(C)(C)C)C1)N1CCCCC1 2066643831 CBGIGRJEZNCLEJ-APWZRJJASA-N 466.404 4.082 50 10 JIGE O=C(N[C@@H]1CCC[C@H]1CBr)c1ccc(Br)cc1I 2086147938 UPWMKMDIWOVJFF-QPUJVOFHSA-N 486.973 4.347 50 10 JIGE CN1CCC[C@@H]([C@@H](Br)c2c(Br)cccc2Br)S1(=O)=O 2094099956 YQKDTFHHAYAVFL-CMPLNLGQSA-N 476.028 4.072 50 10 JIGE C[P@]1(=O)C[C@@H](Br)[C@@H](NC(=O)c2c(Br)cccc2Br)C1 2121384402 KSOTYMNXVYXVIN-QGRDJGHBSA-N 473.927 4.080 50 10 JIGE Cc1csc(CBr)c1S(=O)(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 2123238923 YXFDMFQPAYOIOH-QGZVFWFLSA-N 457.459 4.237 50 10 JIGE CC1(C)[C@@H](CNC(=O)c2ccc(Br)cc2I)C[C@H]1Cl 2142282312 BUHMPPQHXMLBEO-PRHODGIISA-N 456.549 4.437 50 10 JIGE C[C@]12CN(C(=O)c3ccc(Br)cc3I)C[C@]1(CBr)C2 2142284588 FBSUSYMDAUGEHK-UONOGXRCSA-N 498.984 4.301 50 10 JIGE O=C(c1cc(I)ccc1F)N1C[C@H](Br)CC2(CCC2)C1 2169666441 UPLVTPXJOVTUOO-SNVBAGLBSA-N 452.105 4.210 50 10 JIGE Cc1cc(S(=O)(=O)N(C)C2(CBr)CCSCC2)sc1Br 2171172656 JLFCDZUVUVHIDS-UHFFFAOYSA-N 463.282 4.100 50 10 JIGE COCCCCN(Cc1ccccc1)S(=O)(=O)c1cc(CBr)n(C2CC2)c1 2179858005 IDAKBFQZHRXUFF-UHFFFAOYSA-N 455.418 4.335 50 10 JIGE CC(C)[S@@](=O)(=NCCCCI)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2243589692 SOOADPUNAOBOJV-PSLXWICFSA-N 458.406 4.087 50 10 JIGE O=C1c2ccccc2C(=O)N1C[C@@H](Br)Cc1cccc(C(F)(F)C(F)(F)F)n1 2258674873 FWINWANTNJTFGO-JTQLQIEISA-N 463.200 4.338 50 10 JIGE CC1(C)CCN(C(=O)c2c(F)cccc2I)C[C@H]1CBr 2282802617 ASVYKEKVVQUWKJ-SNVBAGLBSA-N 454.121 4.314 50 10 JIGE COc1ccc(NC(=O)COC(=O)C(C#N)=Cc2cc(C)n(-c3ccc(OC)cc3)c2C)cc1 2297486610 FXSXBOPUYJJVFZ-UHFFFAOYSA-N 459.502 4.200 50 10 JIGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)C1=CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 2314585562 FGBDAWPXJLBMBS-UHFFFAOYSA-N 470.407 4.361 50 10 JIGE O=C(c1ccc(Br)cc1I)N1[C@H]2CC[C@H](C2)[C@H]1CCl 2333350380 UALPBHXPEJYDEO-DFAYQTQMSA-N 454.533 4.286 50 10 JIGE Cn1cc(I)c(C[C@@H](CCl)Cc2cccc(Br)c2)n1 2341755957 MSQLSLQFKKRVBB-NSHDSACASA-N 453.549 4.427 50 10 JIGE CCN1CCC[C@H]([C@@H](Br)c2ccc(Cl)cc2I)S1(=O)=O 2365558659 KHICASOTVNHIEB-OLZOCXBDSA-N 492.604 4.195 50 10 JIGE COCCn1nc(Br)nc1C[C@H](Br)c1ccc(Br)cc1 2382061158 JGSSLLPVAZTYBB-NSHDSACASA-N 467.987 4.128 50 10 JIGE N#C/C(=C/c1ccc(OC(=O)c2ccccc2)cc1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 1773204 SOLTZFYKIZUTEG-JXAWBTAJSA-N 471.538 4.491 50 10 JIGE COCc1cc(C)nc(OCC(=O)NN=Cc2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)c1C#N 8437510 UROSPMYGEWNTDM-UHFFFAOYSA-N 499.493 4.364 50 10 JIGE N#C/C(=C/c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1)C(=O)NCc1ccco1 35254427 RTWGISFSHGPRIA-GDNBJRDFSA-N 451.822 4.284 50 10 JIGE O=C(NNc1ncnc(NCCc2ccccc2)c1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 40610297 LBNSONUVDWLRNT-UHFFFAOYSA-N 468.517 4.315 50 10 JIGE Nc1c(NNC(=O)c2ccccc2Br)ncnc1Nc1ccc(Br)cc1F 40784977 QOIOWGSEEMCBPA-UHFFFAOYSA-N 496.138 4.223 50 10 JIGE CCCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1 40948961 ZEEGJLGUUIHFKB-HMMYKYKNSA-N 491.573 4.229 50 10 JIGE Cc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 58890503 FDEDQEXCNSGIQX-RMWBRQFISA-N 453.926 4.410 50 10 JIGE CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cc1 102471091 NNGMHEJEOKLQOQ-VBKFSLOCSA-N 454.577 4.092 50 10 JIGE O=C1NCCCc2ccc([C@H](Br)c3ccccc3I)cc21 228229559 ROKFNVHOGYKWHP-INIZCTEOSA-N 456.121 4.452 50 10 JIGE Cn1ncc([C@H](Br)c2cc(Br)cc3c2OCC3)c1I 379231563 ZSQXZBSBZOEYPA-LLVKDONJSA-N 497.956 4.206 50 10 JIGE O=C(c1cc(I)ccc1O)N1CCC(CCCBr)CC1 401065779 LHGLRCWUASGFLC-UHFFFAOYSA-N 452.130 4.024 50 10 JIGE C[C@H]1CCCN(C(=O)c2ccc(I)c(O)c2)[C@@H]1CCBr 697197971 DKBYZZXZEKBTSP-GXFFZTMASA-N 452.130 4.023 50 10 JIGE C=CCOc1cc(OC)ccc1C(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl 1348673148 VECOEGHYUZYIQL-UHFFFAOYSA-N 453.322 4.187 50 10 JIGE C#Cc1cccc(NC(=S)NNC(=O)C(C)(C)c2csc(-c3cc(F)ccc3F)n2)c1 1471691756 RKGABDGDLBDCJA-UHFFFAOYSA-N 456.543 4.365 50 10 JIGE Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccc3c(c2)OCCO3)cc1 1865698246 OGWLWQTWZTULMO-IBGZPJMESA-N 468.435 4.248 50 10 JIGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)cc(OC)c1O 1865714724 OMGUJAXDZYPIPI-KRWDZBQOSA-N 490.413 4.030 50 10 JIGE CCOC(=O)c1cnn(-c2ccccc2F)c1NC(=O)/C(C#N)=C/c1ccc(Br)cc1 1866129585 ZZDXPXJTWUQNPH-RVDMUPIBSA-N 483.297 4.496 50 10 JIGE CN(CC(F)(F)CBr)C(=O)c1cc(Br)c(Br)s1 1945729640 QBNOTUIAVXQITH-UHFFFAOYSA-N 455.944 4.375 50 10 JIGE Cn1nccc1CC(CBr)(CBr)c1cccc(Br)c1 2094276959 QOMJERRWCWSOHP-UHFFFAOYSA-N 451.000 4.453 50 10 JIGE O=S(=O)(N[C@H]1CC[C@@H](CBr)CC1)c1cc(Cl)c(Br)s1 2118472858 OGZAGQGTPZGNJZ-OCAPTIKFSA-N 451.633 4.396 50 10 JIGE Cc1cc(S(=O)(=O)N(C)C[C@H]2CCN(Cc3ccccc3)C2)sc1CBr 2123243198 GUCWFPVCCQPPNQ-QGZVFWFLSA-N 457.459 4.094 50 10 JIGE C[C@](CBr)(NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl)C(F)F 2161368398 YKEFTMUIEFQHLL-SNVBAGLBSA-N 475.964 4.453 50 10 JIGE C[C@@H](CCl)CS(=O)(=O)N(CCCNC(=O)OC(C)(C)C)c1cccc(Br)c1 2163051076 PPBGLRUJJTVLPQ-AWEZNQCLSA-N 483.856 4.375 50 10 JIGE O=S(=O)(c1cc(CBr)cs1)N1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 2179815759 GJLGAUDWNRPTJB-RBUKOAKNSA-N 469.470 4.318 50 10 JIGE O=S(=O)(c1cc(CBr)cs1)N1CCC[C@H]1[C@@H]1CCN(Cc2ccccc2)C1 2179818697 CMUMNSRLFBXDOY-MOPGFXCFSA-N 469.470 4.318 50 10 JIGE O=C(c1cccc(F)c1I)N1CC2(CCC(Br)CC2)C1 2181092879 YVWURSKLOYBCPS-UHFFFAOYSA-N 452.105 4.210 50 10 JIGE CC1=C(Br)CCN(S(=O)(=O)c2ccc(CBr)cc2Br)C1 2197872728 RAFOWGTUGQPTMU-UHFFFAOYSA-N 488.039 4.407 50 10 JIGE CCC(CBr)(CBr)NC(=O)c1cc(C)ccc1I 2224015713 HIMCKXBPVKVHQX-UHFFFAOYSA-N 488.989 4.268 50 10 JIGE COCCn1c(C)cc(C=C(C#N)C(=O)OCC(=O)Nc2sc3c(c2C#N)CCCCC3)c1C 2297335837 SWRNKSDRPNTXGT-UHFFFAOYSA-N 480.590 4.042 50 10 JIGE Clc1ccc(CN2[C@H](CBr)C[C@H]3OCC[C@H]32)cc1I 2337225948 RNBHWKIFGJGRRM-ZLKJLUDKSA-N 456.549 4.071 50 10 JIGE Cc1ccc(CBr)cc1NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364192263 ZLCCAADWNUQQCK-UHFFFAOYSA-N 493.423 4.488 50 10 JIGE COc1ccc(Cl)c2sc(NNC(=O)c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)nc12 9447688 ITSNCYHPJZEIBB-UHFFFAOYSA-N 495.026 4.136 50 10 JIGE CC(C)c1ccccc1OCC(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 12403476 HQJZQLDOTDIYHC-UHFFFAOYSA-N 477.399 4.475 50 10 JIGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)c2ccc(OCCOc3ccccc3)cc2)cc1 14039523 YKULQOWMLKNRQR-HXUWFJFHSA-N 462.546 4.498 50 10 JIGE CC(C)COc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)cc1 14644466 YGJOBZDDPRIXHT-CYBMUJFWSA-N 469.763 4.366 50 10 JIGE CCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2cc(Cl)ccc2Cl)c(OC)c1 40878529 FNVOZUDAKXBTQH-OQLLNIDSSA-N 463.317 4.420 50 10 JIGE CC(C)(C)c1ccc(C(=O)NC2=N/C(=C(\C#N)C(=O)NCc3ccco3)c3ccccc32)cc1 102673507 KXWXKFHNGRBTQY-GHVJWSGMSA-N 452.514 4.318 50 10 JIGE COc1cc(Cl)c([C@@H](Br)c2cnn(C)c2I)cc1OC 379200633 HUSQLTYAUSMXIT-GFCCVEGCSA-N 471.520 4.180 50 10 JIGE CC(C)(C)OC(=O)N1C[C@H](CI)[C@@H](c2ccc(Br)cn2)C1 382701312 ORAVVQDTNWXCOG-JQWIXIFHSA-N 467.145 4.230 50 10 JIGE O=C(CBr)c1cc(Br)cc(OC(F)F)c1I 575682626 WJUUPIKULZJZBC-UHFFFAOYSA-N 469.845 4.233 50 10 JIGE Cc1cc(Cl)cc(C)c1O[C@@H](C)C(=O)NNC(=O)C1CCN(c2nc3ccccc3s2)CC1 727366433 ZOXCAIRYCZEZMY-INIZCTEOSA-N 487.025 4.398 50 10 JIGE O=C(NNC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12)c1ccc(Cl)nc1 727729194 WDDVQXMUVAIYOE-UHFFFAOYSA-N 451.845 4.030 50 10 JIGE C#CCOc1c(Br)cc(C=NNC(=O)c2ccccc2Br)cc1OCC 1084215447 QQMLOHMGBQWESR-UHFFFAOYSA-N 480.156 4.386 50 10 JIGE CCOc1ccc(N(CC(=O)NN=Cc2sccc2C)S(=O)(=O)c2ccc(C)cc2)cc1 1084456625 CSKRGSWNSICHHR-UHFFFAOYSA-N 471.604 4.109 50 10 JIGE C#CCN1CCCN(C(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)CC1 1586493781 GVQCPCIQPOUCOU-HMMYKYKNSA-N 455.389 4.475 50 10 JIGE COc1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)cc1[N+](=O)[O-] 1614616181 UWQYVJQFXANIQV-IRXDYDNUSA-N 496.301 4.391 50 10 JIGE C#C[C@@H](NC(=O)NNc1ccc(OC)cc1Br)c1ccc(Br)cc1 1636562170 IFOVYYGTFFNPQY-OAHLLOKOSA-N 453.134 4.221 50 10 JIGE C#Cc1cccc(NC(=S)NNC(=O)c2ccccc2CSc2nc3ccccc3[nH]2)c1 1637295324 WJROLDHOYCMKND-UHFFFAOYSA-N 457.584 4.468 50 10 JIGE CC(C)(NC(=O)C[C@@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)Nc1ccc(SC#N)cc1 1866729901 RZFCTDPFGACQRF-HXUWFJFHSA-N 465.575 4.448 50 10 JIGE C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)C[C@@H]1C[C@H]1Br 1877421855 WRMYSFIZLOPIML-LRAJWGHMSA-N 457.368 4.155 50 10 JIGE Fc1cc2c(cc1I)nc(CCCl)n2C[C@H]1C[C@@H]1Br 1887725177 PTGSNOSEYVAGCH-SFYZADRCSA-N 457.512 4.345 50 10 JIGE C[C@H]1C[C@@H]1N(CCBr)C(=O)c1ccc(Br)cc1I 2086150198 XTWFYMCSQQLBOD-UFBFGSQYSA-N 486.973 4.299 50 10 JIGE O=S1(=O)CC[C@H]([C@H](CBr)Cc2cccc(Br)c2Br)C1 2092335366 MICUMNJWWVJJDO-QWRGUYRKSA-N 475.040 4.200 50 10 JIGE C[C@@H]1CN(S(=O)(=O)c2cc(Cl)c(Br)s2)CC[C@H]1CBr 2109036997 WWXBSDJLYDQHGS-SFYZADRCSA-N 451.633 4.206 50 10 JIGE C[C@]12CN(C(=O)c3cc(Br)cc(Br)c3)C[C@]1(CBr)C2 2109182322 LFVTZXRZGLOBKJ-UONOGXRCSA-N 451.984 4.459 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OCCCN2CCCCCC2)C1 2119263364 HGPBLHUDMKOVKN-FQEVSTJZSA-N 480.431 4.474 50 10 JIGE CCN1CCC[C@@H]([C@H](Br)c2cc(Cl)ccc2I)S1(=O)=O 2145757733 GLIAYISLUNDBQT-QWHCGFSZSA-N 492.604 4.195 50 10 JIGE O=S1(=O)CC[C@H](CC(CBr)(CBr)c2cccc(Br)c2)C1 2148771518 UKNGZWWWPRWIIO-LLVKDONJSA-N 489.067 4.302 50 10 JIGE O=C(c1ccc(Br)cc1Br)N1CC[C@H](OCCCBr)C1 2207052520 SRLKDRBDBYXDGB-NSHDSACASA-N 469.999 4.228 50 10 JIGE CC1(C)OCCN(C(=O)c2cc(Br)c(Br)s2)[C@H]1CBr 2267733369 PGQPIZCCOSMXFE-VIFPVBQESA-N 476.028 4.288 50 10 JIGE O=C1C(=O)N(CCCCCCCBr)c2ccc(I)cc21 2294772142 BBIVQRZMXLTARK-UHFFFAOYSA-N 450.114 4.166 50 10 JIGE CC(C)(CI)CN=[S@]1(=O)CC[C@@H](CNC(=O)OC(C)(C)C)C1(C)C 2306816542 SIBAOXQTMWLKGO-RZFZLAGVSA-N 472.433 4.239 50 10 JIGE COc1cc(C=C(C#N)C(=O)N(C)C)cc(I)c1OCc1ccc(C)cc1 2313568636 VLTUSXTXMWZXPC-UHFFFAOYSA-N 476.314 4.182 50 10 JIGE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NN=Cc1cccc(OC(=O)c2ccco2)c1 2328827610 CPRPBOKHSOEMHD-NRFANRHFSA-N 477.517 4.085 50 10 JIGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc(NS(C)(=O)=O)cc3)n2)cc1OC 2331242272 JZTUIFBQVWZBHY-UHFFFAOYSA-N 457.533 4.149 50 10 JIGE CCOc1ccc(CO[C@@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)cn1 2337969316 DGKUQRIUYKUHSN-LJQANCHMSA-N 476.355 4.202 50 10 JIGE C[C@@]1(CBr)COCCN(Cc2cc(I)ccc2Cl)C1 2352416611 XBZXKFKXLPACSR-AWEZNQCLSA-N 458.565 4.178 50 10 JIGE O=C(N[C@H](CBr)C[C@H]1CCCO1)c1ccc(Cl)cc1I 2365597747 KAEHDRODBQEATI-WDEREUQCSA-N 472.548 4.007 50 10 JIGE Cc1ccc(S(=O)(=O)/N=C2/C(C(C)C)=CC(=O)[C@](C)(Br)[C@H]2Br)cc1 9833209 ZEWCQOWMZMLXLQ-VLPHNSQJSA-N 477.218 4.207 50 10 JIGE CC(C)COc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)c1 10283589 GKBIYJSFSUDJFM-UHFFFAOYSA-N 496.633 4.190 50 10 JIGE Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=O)COc1ccc(-c2ccccc2)cc1 13981572 SJZUHRVKMFKPJI-UHFFFAOYSA-N 465.937 4.261 50 10 JIGE COc1ccc(CC(=O)Nc2ccccc2C(=O)N/N=C/c2ccccc2Br)cc1 20248395 PHCCNQVDFMEYRU-MFKUBSTISA-N 466.335 4.403 50 10 JIGE Cc1ccc(Nc2ncnc(NNC(=O)c3ccc(Br)cc3)c2[N+](=O)[O-])c(C)c1 40621151 QLBXMUWYZAOSPD-UHFFFAOYSA-N 457.288 4.265 50 10 JIGE Cc1c(C(=O)Oc2cccnc2)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 40811818 LAMRHJQSXAPYRT-KOEQRZSOSA-N 468.307 4.435 50 10 JIGE C/C(CC(=O)Nc1c(C)cc(C)cc1C)=N\NC(=O)c1ccc(I)cc1 100956939 PGRLNFUQXIHPAJ-HZHRSRAPSA-N 463.319 4.351 50 10 JIGE CCC(CCl)(CCl)NC(=O)c1cc(Br)ccc1I 232910314 JIKHMCNXBGZCMO-UHFFFAOYSA-N 464.956 4.410 50 10 JIGE CCn1c(C)nc2cc(C(=O)NN=Cc3ccc(OCc4ccc(C(=O)OC)cc4)cc3)ccc21 254626200 ACHKKASWWADMDM-UHFFFAOYSA-N 470.529 4.494 50 10 JIGE C[C@H]1CN(Cc2ccccc2)CCN(S(=O)(=O)c2ccc(CCl)cc2Br)C1 323631123 QDCZMKDQMWWDBN-INIZCTEOSA-N 471.848 4.331 50 10 JIGE CCC(=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 1083541332 CBGUOGMQLZIXBE-YMUYNQDMSA-N 466.977 4.103 50 10 JIGE CCOc1cc(C=NNC(=O)C(=O)Nc2ccc(OC)cc2)ccc1OCc1ccc(Cl)cc1 1083979423 UEUFASFOSJOUFQ-UHFFFAOYSA-N 481.936 4.415 50 10 JIGE CC(=O)N(c1ccc(NC(=O)NNC(=O)c2ccc(OCCC(C)C)cc2)cc1)[C@H]1C[C@H]1C 1672172700 MTVHYNUGEPZKFA-HXOBKFHXSA-N 452.555 4.339 50 10 JIGE CC(=O)N(c1ccc(NC(=O)NNC(=O)COc2cc(C)ccc2C(C)C)cc1)[C@@H]1C[C@H]1C 1672172707 MWIHLTUHRMDXKV-VGOFRKELSA-N 452.555 4.111 50 10 JIGE CCOc1ccccc1NC(=O)[C@@H](C)Oc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1 1858686990 GAGUIRGEKZZLSP-OAHLLOKOSA-N 466.450 4.405 50 10 JIGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865714016 AYFQOKNNEVKWLJ-FQEVSTJZSA-N 465.897 4.369 50 10 JIGE CCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865714140 DOSAYDRNWSFQSP-JOCHJYFZSA-N 453.458 4.420 50 10 JIGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CC[C@@]2(CCC[C@@H]2Br)C1 1918920598 JUJJAZIIHPHNJM-CABZTGNLSA-N 463.644 4.492 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CN(C(=O)OC(C)(C)C)C12CCCC2 1989563460 VJYUYIHUSPKSLM-INIZCTEOSA-N 461.694 4.414 50 10 JIGE CC1([C@H](CBr)NC(=O)c2cc(Br)ccc2I)CC1 2033130257 OXGJEUIZMDEVOK-NSHDSACASA-N 486.973 4.347 50 10 JIGE Cc1c(Br)sc([C@H](Br)C2[C@H]3CS(=O)(=O)C[C@H]23)c1Br 2054218152 MRQCSTHJTDMVHH-ATVXKPNKSA-N 479.053 4.308 50 10 JIGE CCOc1cc(OC(F)(F)F)c(I)c(C(=O)CBr)c1 2055052643 XETMWTRDCLOZHI-UHFFFAOYSA-N 452.992 4.166 50 10 JIGE O=C(c1cc(Br)ccc1Br)N1C[C@H]2[C@@H](Br)CC[C@H]2C1 2087938588 YCHRKHFRDJMGRW-KDDOJWQBSA-N 451.984 4.457 50 10 JIGE O=S(=O)(C[C@@H](Cl)c1cc(Br)c(Br)s1)N1CCCCC1 2089399086 YLHSRNGKXLDGCS-SECBINFHSA-N 451.633 4.369 50 10 JIGE CN(Cc1ccccc1)CC1CCN(S(=O)(=O)c2csc(CBr)c2)CC1 2123242632 YTBDJLXTJXDIKQ-UHFFFAOYSA-N 457.459 4.176 50 10 JIGE Cc1c(Br)ccc([C@@H](Br)[C@@H]2[C@H]3CS(=O)(=O)C[C@H]32)c1Br 2138876541 QKFLFRFXUNCAOI-UPBCOZELSA-N 473.024 4.247 50 10 JIGE C[C@@H]1CCCN(C(=O)c2cc(I)ccc2F)[C@@H]1CCBr 2169668790 UKDWSXWGUXWRGU-QMTHXVAHSA-N 454.121 4.456 50 10 JIGE Cc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)C(C)(C)C2)cc1CBr 2179785561 OEWUCTROECPKCU-UHFFFAOYSA-N 451.430 4.175 50 10 JIGE CSc1ccc(C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)cc1 2296664969 MAUUXSDYYHDJBS-UHFFFAOYSA-N 459.527 4.058 50 10 JIGE C=CCNC(=O)C(C#N)=C1S[C@@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(OC)cc1 2314593355 LRBKVWKSMRERON-FQEVSTJZSA-N 453.951 4.077 50 10 JIGE CCOC(=O)C(C#N)=Cc1cccc(OC(=O)c2cc3cc(Br)ccc3oc2=O)c1 2314754787 BRLRELWBPOQGDY-UHFFFAOYSA-N 468.259 4.245 50 10 JIGE COc1cc(C=NNC(=O)c2cccn(Cc3ccc(Cl)cc3)c2=O)ccc1OC(C)C 2323647635 DDGUIFXTMGFKGH-UHFFFAOYSA-N 453.926 4.110 50 10 JIGE CCCCCOc1ccc(C=NNC(=O)COc2ccc3c(C)cc(=O)oc3c2)cc1OC 2328804065 VVZBVBXVWMDOAR-UHFFFAOYSA-N 452.507 4.208 50 10 JIGE Clc1ccc(I)c(CN2CC3(CC[C@@H](CBr)O3)C2)c1 2336711263 IFTYZIYFJHVOFE-LBPRGKRZSA-N 456.549 4.073 50 10 JIGE COCCN(C)C[C@@H](Cl)CCc1ccc(I)c(Br)c1 2349831111 AWFGHADOHWXJCW-LBPRGKRZSA-N 460.581 4.172 50 10 JIGE CC(C)(C)c1ccc(OCC(=O)NC(=S)NNC(=O)c2ccc(Cl)cc2Cl)cc1 13976378 CVHXKCWWAHEYDX-UHFFFAOYSA-N 454.379 4.005 50 10 JIGE Cc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(OCCC(C)C)cc2)cc1Br 14022127 MWJHXVGCRBUFKB-UHFFFAOYSA-N 478.412 4.132 50 10 JIGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccccc1OC 14648321 HQGALCZMORFIND-UHFFFAOYSA-N 479.371 4.257 50 10 JIGE COc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C(/C#N)C(=O)Nc1ccc(F)cc1 39858820 HVYLGZQDWCCRLN-PEZBUJJGSA-N 456.433 4.180 50 10 JIGE Cc1cc(Oc2ncnc(NNC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2[N+](=O)[O-])ccc1Cl 40658665 FEWYYWRHEKVWCW-UHFFFAOYSA-N 479.236 4.457 50 10 JIGE CCCCCN1C(=O)/C(=N\NC(=O)COc2ccccc2C)c2cc(Br)ccc21 40846239 ZPRFXQPVQDDPBX-DAFNUICNSA-N 458.356 4.194 50 10 JIGE O=C(CC[C@H](O)c1ccccc1)N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 58886450 QOHQOYUDQNVNCV-SGSZHJQISA-N 464.434 4.259 50 10 JIGE CCCCN1C(=O)/C(=C/Nc2ccc(C(=O)c3ccccc3)cc2)C(=O)N(CCCCl)C1=O 103840176 DYEPLQAQZNTLNP-FXBPSFAMSA-N 467.953 4.433 50 10 JIGE O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1cccc(N2NC(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 109284069 YTSOOEVBOMTWSO-HUUCEWRRSA-N 479.751 4.364 50 10 JIGE CCOC(=O)[C@H]1C[C@H](OCc2ccccc2Br)[C@H](I)C1 162558892 ZPAXCFWLKXBFJA-BNOWGMLFSA-N 453.114 4.111 50 10 JIGE COc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2)cc1OC 206678552 DSNDONDKDCITGX-GJGBNZORSA-N 458.470 4.139 50 10 JIGE Cc1cc(C)cc(-n2c(C)cc(C=NNC(=O)CN(c3ccc(Cl)cc3)S(C)(=O)=O)c2C)c1 252612920 IXDFWULGGPWGQO-UHFFFAOYSA-N 487.025 4.281 50 10 JIGE COc1ccc(C)cc1NC(=O)C(=O)NN=Cc1cc(C)n(-c2ccc(Br)cc2)c1C 725429417 QHSVXFDIDHSKJO-UHFFFAOYSA-N 483.366 4.262 50 10 JIGE N#Cc1ccc(CNC(=O)NNC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)c(F)c1 729879947 RFFGLSQOKOCFCH-UHFFFAOYSA-N 452.873 4.074 50 10 JIGE O=S1(=O)CCC[C@H]1CC(CBr)(CBr)c1ccc(Br)cc1 822172021 QAMPUFKGKVZVDI-ZDUSSCGKSA-N 489.067 4.444 50 10 JIGE COc1cccc(NC(=O)C(=O)NN=Cc2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)c1 1084080845 UINDGVGVLMILQQ-UHFFFAOYSA-N 459.333 4.498 50 10 JIGE Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2C=NNC(=O)c2ccccc2)cc1 1084179004 SRNQHRWJYNFEAK-UHFFFAOYSA-N 473.348 4.289 50 10 JIGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OC)cc2OC)cc1 1865707808 GVZRREHEERDIGA-GOSISDBHSA-N 472.423 4.135 50 10 JIGE COc1cc(C(=O)NNC(=O)c2ccc(-c3ccc(Cl)cc3Cl)nc2C)ccc1[N+](=O)[O-] 1865759875 WTMPYSHQCUTJHM-UHFFFAOYSA-N 475.288 4.355 50 10 JIGE COc1ccc(/C=C(/C(=O)N2CCC[C@@H](C(=O)NNc3ccccn3)C2)c2ccccc2)cc1OC 1873777970 XXIDSNVUBPMUGN-PLPWKKLYSA-N 486.572 4.021 50 10 JIGE CN(C[C@H]1C[C@@H](Br)C1)S(=O)(=O)c1cc(Br)ccc1Br 1887823771 RQESOJHEDKWCOO-WAAGHKOSSA-N 476.028 4.006 50 10 JIGE Cc1nnc(SCC(=O)NN(Cc2ccccc2)Cc2ccccc2)n1Cc1ccccc1 1923932026 APNOVGBMLDGNJF-UHFFFAOYSA-N 457.603 4.461 50 10 JIGE CCOc1ccccc1-n1nnnc1S[C@@H](C)C(=O)C(C#N)=C1Nc2ccccc2S1 2040425437 WKKPCKLYLQQPQH-ZDUSSCGKSA-N 450.549 4.064 50 10 JIGE C[C@@H]1CC[C@H](CBr)N(S(=O)(=O)c2cc(Cl)c(Br)s2)C1 2110613121 RAAMYJVDXZHSDQ-HTQZYQBOSA-N 451.633 4.348 50 10 JIGE Cc1cc(Br)c([C@H](Br)C2[C@@H]3CS(=O)(=O)C[C@@H]23)cc1Br 2117966563 SDBHFOCYXDWIHF-KKFJDGPESA-N 473.024 4.247 50 10 JIGE Cc1sc(CBr)cc1S(=O)(=O)N1CCN(Cc2ccccc2)C(C)(C)C1 2123229840 MNFZRNWGNMXSSZ-UHFFFAOYSA-N 457.459 4.237 50 10 JIGE O=C(c1cc(I)ccc1F)N1[C@H](CBr)C[C@@H]2CCC[C@H]21 2169662180 IYSPDTQDCWBUQN-NURSFMCSSA-N 452.105 4.208 50 10 JIGE CCn1ncc(CC(CBr)(CBr)c2ccc(Br)cc2)n1 2172441862 YZIBXYOBGNGFMZ-UHFFFAOYSA-N 466.015 4.331 50 10 JIGE O=S(=O)(c1ccc(CCl)cc1Br)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 2188889061 XFCPRXMHBPJSMT-PKOBYXMFSA-N 469.832 4.083 50 10 JIGE CC[C@H](C)[C@@H](CI)NC(=O)c1cc(C)ccc1I 2224023794 YGKFIUSOZDNXRD-GXFFZTMASA-N 471.120 4.179 50 10 JIGE CC1(C)CCN(Cc2ccccc2)CCN1S(=O)(=O)c1ccc(CBr)cc1 2239857959 DOGJAKJEXHDYGC-UHFFFAOYSA-N 451.430 4.257 50 10 JIGE CN(C[C@@H](Cl)COCc1ccccc1)C(=O)c1c(F)cccc1I 2247967649 LEQFWDRHKGHSGL-CQSZACIVSA-N 461.702 4.327 50 10 JIGE COCCN(C[C@@H](C)Br)C(=O)c1scc(Br)c1Br 2259743028 BOXZJSLEHQDWIJ-SSDOTTSWSA-N 464.017 4.145 50 10 JIGE C[C@@H]1CN(C(=O)Cc2cc(Br)cc(Br)c2)CC[C@H]1Br 2277933520 VFFKUFAATREFHM-NOZJJQNGSA-N 454.000 4.386 50 10 JIGE BrC[C@]12CCO[C@@H]1CN(Cc1cc(Br)ccc1Br)C2 2278944119 IMULOVPNDFICMT-KGLIPLIRSA-N 454.000 4.197 50 10 JIGE COc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2OC)cc1 2314739907 BKWUKQDJMLFBAD-UHFFFAOYSA-N 458.470 4.139 50 10 JIGE O=C(N[C@H]1C[C@@H](CBr)[C@@H]2C[C@@H]12)c1cc(Br)ccc1Br 2329870098 LOKCHAMTCPROQZ-OIORRXCASA-N 451.984 4.361 50 10 JIGE ClC[C@@H](C[C@H]1CCOC1)NCc1ccc(I)c(Br)c1 2349860337 XBXDYUDPZUGAQV-VXGBXAGGSA-N 458.565 4.177 50 10 JIGE CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)/C(C#N)=C\c2ccc(OCC)c(OC)c2)c(OC)c1 946985 CJNHUKYVRHJOGC-YZLQMOBTSA-N 476.485 4.085 50 10 JIGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Br)cc3)ccc2[C@H]1c1ccco1 38657303 XTYPWFVOEKQSSR-OAQYLSRUSA-N 467.275 4.245 50 10 JIGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1 58893430 JROSNYSUVLGBPI-XKCSFVINSA-N 463.534 4.185 50 10 JIGE O=C(Nc1ccccc1C(=O)N/N=C/c1cccc([N+](=O)[O-])c1)c1ccccc1Br 73747844 CCFOODNKMFRLRF-YDZHTSKRSA-N 467.279 4.374 50 10 JIGE CCCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1 100154472 XUZYPCZOQVAHGE-UHFFFAOYSA-N 496.633 4.334 50 10 JIGE CCOCCCNC(=O)/C(C#N)=C\c1c(Oc2ccc(C(C)(C)C)cc2)nc2ccccn2c1=O 102684229 AXIRXNOVJWYFOQ-ZPHPHTNESA-N 474.561 4.234 50 10 JIGE C[C@H](CCBr)CCOc1c(I)cc(C#N)cc1[N+](=O)[O-] 116049239 UFAOJWXWMCPRAL-SECBINFHSA-N 453.074 4.261 50 10 JIGE O=C(COc1ccccc1)NN=C1C(=O)N(CCOc2cccc3ccccc23)c2ccccc21 254402041 HYDXNMKPHFKVJG-UHFFFAOYSA-N 465.509 4.165 50 10 JIGE COC(=O)[C@@H](Br)CNc1c(Br)cc(Cl)cc1Br 304132482 AEIYXRBWHAUMPJ-QMMMGPOBSA-N 450.352 4.213 50 10 JIGE O=S(=O)(c1cc(CCl)sc1Br)N1C[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 705901299 PBYMLFQCBQQABA-GJZGRUSLSA-N 475.861 4.002 50 10 JIGE CS(=O)(=O)N(CC(=O)NN=Cc1ccc(Cl)cc1Cl)c1ccc2c3c(cccc13)CC2 1084279293 XGNXHDBQHHHOSS-UHFFFAOYSA-N 476.385 4.162 50 10 JIGE N#C/C(=C\c1cccc(Br)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 1866131811 OSXXPTPLLRVWHT-GXDHUFHOSA-N 489.376 4.252 50 10 JIGE C[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc3c(c2)OCCO3)cs1)N1C(=O)c2ccccc2C1=O 1872751018 PZVYJJHSAKXRHV-ZCBJIMFGSA-N 459.483 4.059 50 10 JIGE C[C@H](Br)C1CCN(c2ncc(I)cc2Br)CC1 2015757995 YHZWJSGFQIBHPN-QMMMGPOBSA-N 473.978 4.449 50 10 JIGE C[C@H]1CN(c2ncc(I)cc2Br)C[C@@]1(C)CBr 2015763354 XFDUJFQNWBMKCC-QPUJVOFHSA-N 473.978 4.306 50 10 JIGE COc1ccc(OC)c(C=CC(=O)NNC(=O)c2ccc(COc3cccc4cccnc34)cc2)c1 2040430983 ZNZNQNWFNYESSO-UHFFFAOYSA-N 483.524 4.305 50 10 JIGE CCOC(=O)Cc1c(CBr)ccc(Br)c1I 2054977685 GCQQXXWTTQMHLA-UHFFFAOYSA-N 461.919 4.054 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1cc(F)ccc1Br 2061267446 DETZFIIIZLXRNV-UHFFFAOYSA-N 453.399 4.224 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CC[C@@H]2[C@H](CCl)[C@@H]2C1 2093129317 QYGULMBSDGTIBO-OUAUKWLOSA-N 454.533 4.001 50 10 JIGE Cn1nc([C@H](Br)c2cc(I)cc3c2OCC3)cc1Br 2094079861 JECGWXLJGFGKRD-GFCCVEGCSA-N 497.956 4.206 50 10 JIGE CN(C)CCN(Cc1ccccc1)S(=O)(=O)c1cc(Br)cc(CCl)c1F 2095866254 HTIZDSSKRHUZOJ-UHFFFAOYSA-N 463.800 4.080 50 10 JIGE O=C(c1cc(I)ccc1Br)N1[C@H]2CC[C@@H]1C[C@H](Cl)C2 2098699937 YUXFLDXDNSMOGC-GUDFOSOFSA-N 454.533 4.428 50 10 JIGE O=S(=O)(N[C@H](CBr)c1cscn1)c1cc(Cl)c(Br)s1 2119048265 RNOFIYNHJFXYNJ-ZCFIWIBFSA-N 466.629 4.035 50 10 JIGE O=C(c1ccc(Br)cc1Br)N1C[C@H]2C[C@H](Br)C[C@H]2C1 2128631032 JLUBWTMFUHYXIE-JZYVYDRUSA-N 451.984 4.457 50 10 JIGE O=C(c1cccc(Br)c1Br)N1CC2(CC(CBr)C2)C1 2129963247 IKODAYYPAWNBTD-UHFFFAOYSA-N 451.984 4.459 50 10 JIGE Cc1cc(C(=O)N[C@@H](CCBr)C(F)(F)F)ccc1I 2142107709 UWVDHJAYLHUBKO-JTQLQIEISA-N 450.036 4.045 50 10 JIGE O=C(NC[C@@]1(CBr)CC12CCC2)c1cccc(F)c1I 2154182210 QJUGWAXTMYVFQW-HNNXBMFYSA-N 452.105 4.115 50 10 JIGE CC(C)(C)OC(=O)N1CCC([S@@](C)(=O)=NC(=O)c2ccc(CBr)cc2)CC1 2162877737 KCJAOFZCUMWTJM-HHHXNRCGSA-N 459.406 4.219 50 10 JIGE O=S(=O)(c1cc(Cl)c(Br)s1)N1[C@H](CBr)C[C@@H]2CCC[C@@H]21 2164646639 BYQUWCUXYHXSSY-NRPADANISA-N 463.644 4.491 50 10 JIGE C[C@H]1CN(S(=O)(=O)c2cc(F)ccc2CBr)[C@H](C)CN1Cc1ccccc1 2179785181 IPUZKIXOXHMGQL-JKSUJKDBSA-N 455.393 4.004 50 10 JIGE CN([C@@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@@H]21)S(=O)(=O)[C@H]1CC[C@H](CBr)C1 2190549438 YPHYMFOIYALFIP-HXIANDDZSA-N 456.446 4.196 50 10 JIGE I[C@H]1CCCCC[C@H]1OCCOCCOCCOCc1ccccc1 2220485294 NPGFCBUJYQPQAM-VQTJNVASSA-N 462.368 4.389 50 10 JIGE Cc1ccc(I)c(C(=O)N[C@H](CBr)CC(F)(F)F)c1 2232163259 CLLGQKMVGAKMHX-QMMMGPOBSA-N 450.036 4.045 50 10 JIGE CCC[C@@H]1CN(C(=O)c2ccc(C)c(I)c2)C[C@@H]1CBr 2232830196 ZPLUQEYXCXCKGC-KGLIPLIRSA-N 450.158 4.483 50 10 JIGE CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC1CC(Br)C1 2241638094 SJCBYYGCRMPOMK-UHFFFAOYSA-N 457.368 4.346 50 10 JIGE COc1ccccc1C=C(C#N)C(=O)Oc1ccc2cc(C(=O)NC3CCCCC3)c(=O)oc2c1 2314751163 UAJBUDLFWBLRMM-UHFFFAOYSA-N 472.497 4.377 50 10 JIGE COCCOc1ccc(C=C(C#N)C(=O)NCc2ccc3n2CCN(C(=O)OC(C)(C)C)[C@H]3C)cc1 2331117720 BONAYDRFMBQFEQ-IBGZPJMESA-N 494.592 4.048 50 10 JIGE CCOC(=O)c1ccc(N2CSC3=C(C#N)[C@H](c4ccc(OC)cc4OC)CC(=O)N3C2)cc1 6577346 MYGYXIPRVVFNRR-FQEVSTJZSA-N 479.558 4.100 50 10 JIGE aggregator COc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 9695889 IZIYDEGYRCMINQ-UHFFFAOYSA-N 474.355 4.051 50 10 JIGE Cc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 12500820 SHWRKUHZRBUOGP-UHFFFAOYSA-N 488.613 4.494 50 10 JIGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)COc3ccc(Cl)c(C)c3)cc2)c1 13980185 USRDEPGLTFSESY-UHFFFAOYSA-N 451.910 4.049 50 10 JIGE O=C(NN/C=C1/C(=O)N(c2ccccc2C(F)(F)F)C(=O)c2ccccc21)c1cccc([N+](=O)[O-])c1 32693693 CHYYCWWVPKZICK-QGOAFFKASA-N 496.401 4.076 50 10 JIGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)/C=C\c2ccc(OC)c(OC)c2)cc1 33566161 FCMFGBMLFVTDLB-DHDCSXOGSA-N 485.606 4.012 50 10 JIGE O=C(NNC(=O)c1ccccc1Br)c1ccnc(C23CC4CC(CC(C4)C2)C3)c1 35553546 JRFGWWONEGYHJA-UHFFFAOYSA-N 454.368 4.387 50 10 JIGE O=C(CSc1nnc(-c2ccccc2Cl)n1-c1ccccc1)NNC(=O)c1ccccc1 59809418 USJSZYRZXSNQMN-UHFFFAOYSA-N 463.950 4.141 50 10 JIGE CCn1nc(C(=O)NNC(=O)/C=C\c2ccc(-c3cccc(Cl)c3)s2)c2ccccc2c1=O 213013319 JBNDZYHCYQRWGG-QBFSEMIESA-N 478.961 4.273 50 10 JIGE C[C@@H](Br)C1CCN(S(=O)(=O)c2cc(Br)ccc2Br)CC1 235143389 RDMLHAKEHBCCHX-SECBINFHSA-N 490.055 4.396 50 10 JIGE O=C(NN=C1C(=O)N(CN(Cc2ccccc2)Cc2ccccc2)c2ccccc21)c1ccccn1 254392333 XSCDPZCOQOAMGL-UHFFFAOYSA-N 475.552 4.222 50 10 JIGE CCCOc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=C(C)c2ccc(O)cc2)cc1 254567788 ZVXSHMKEHOXEKB-RGNUTHIZSA-N 457.530 4.492 50 10 JIGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2ccc(SC)cc2)sc2c1CCCCC2 254796677 DUJGEQNZVPATQS-UHFFFAOYSA-N 459.593 4.004 50 10 JIGE COc1ccccc1NC(=O)C(=O)NN=Cc1c(OC(=O)c2ccccc2)ccc2ccccc12 254817081 PKWIHCRFPCYCRX-UHFFFAOYSA-N 467.481 4.156 50 10 JIGE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(O)cc2)cc1 254855388 MZBFKHLTUCEPTO-RRHNVJNFSA-N 456.546 4.160 50 10 JIGE COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)NNC(=O)c1cccc2cccnc12 725867552 ZWOVVRGPVCJGDH-SFHVURJKSA-N 469.339 4.197 50 10 JIGE Cn1cc(C(=O)NNC(=O)c2ccccc2SCC(=O)NCC2CCCCC2)c2ccccc21 726497054 ZFMOTGSUYQBABR-UHFFFAOYSA-N 478.618 4.042 50 10 JIGE C[C@@H](NC(=O)NNC(=O)CCOc1ccccc1)c1ccc(OCc2ccc(F)cc2)cc1 728752482 PJDMUKLYPILOBQ-GOSISDBHSA-N 451.498 4.265 50 10 JIGE Cc1ccc(NC(=O)COc2ccc(C=NNC(=O)C(=O)Nc3ccc(Cl)cc3C)cc2)cc1 1083974524 DHZSYRIRZZHJOT-UHFFFAOYSA-N 478.936 4.063 50 10 JIGE O=C(O)CCCC(=O)NN=Cc1nc(-c2ccccc2Cl)c2cc(Br)ccc2n1 1772742820 GEZUOUJZQSJURF-UHFFFAOYSA-N 475.730 4.418 50 10 JIGE O=C(CBr)c1cc(I)cc(OC(F)F)c1C(F)(F)F 2060378015 GUANFVUKFVYVMU-UHFFFAOYSA-N 458.946 4.489 50 10 JIGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@H](CNC(=O)c2cccc(CCl)c2)C1 2084717724 QGOGOEXYZKPHNC-JOCHJYFZSA-N 458.002 4.277 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1[C@H](CBr)[C@H]2CC[C@@H]1C2 2122174027 RHPPKBXDNDRDLY-IYYTYJHQSA-N 454.533 4.333 50 10 JIGE Cc1c(CBr)cc(Cl)cc1S(=O)(=O)N1CC(N(C)Cc2ccccc2)C1 2123272139 XGGDNJJQEXDMLP-UHFFFAOYSA-N 457.821 4.048 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1C[C@@H]2CC(Br)C[C@H]2C1 2128654628 JISSYNSBXMKMCZ-IUCAKERBSA-N 454.533 4.190 50 10 JIGE C[C@H](Br)C[C@@H]1COCCN1C(=O)c1cc(Br)c(Br)s1 2128881878 VSPIVMKFCFSMJS-JGVFFNPUSA-N 476.028 4.288 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@H]2[C@@H](Br)CC[C@H]2C1 2142278675 GMGWESAYXAKMFO-AXTRIDKLSA-N 498.984 4.299 50 10 JIGE CCCn1cc(S(=O)(=O)N(CCCCOC)Cc2ccccc2)cc1CBr 2179857953 HAYZADJSMIVFKY-UHFFFAOYSA-N 457.434 4.411 50 10 JIGE COCCNCc1cc(Br)cc(Br)c1OC[C@H]1C[C@@H]1Br 2196906758 JDFIZRIZRREQDN-PWSUYJOCSA-N 472.015 4.110 50 10 JIGE O=C(NC[C@H]1CCC[C@@H]1CBr)c1ccc(Cl)c(I)c1 2268355799 FRGNLAKPQJBANN-GHMZBOCLSA-N 456.549 4.486 50 10 JIGE CCCc1cc(C(=O)OC)c(NC(=O)C(C#N)=Cc2ccc(OC(=O)CC)c(OC)c2)s1 2295669885 FXRQJBDAEHDXFB-UHFFFAOYSA-N 456.520 4.357 50 10 JIGE N#CC(=Cc1c(Oc2ccccc2Cl)nc2ccccn2c1=O)C(=O)NCc1ccccc1 2296720242 DFLBRXBEQOXTMG-UHFFFAOYSA-N 456.889 4.364 50 10 JIGE Clc1ccc(C[C@]23CO[C@](CI)(C2)C3)c(I)c1 2302329999 XUEFDYTYQBSWQX-BETUJISGSA-N 474.507 4.471 50 10 JIGE BrC[C@H]1[C@H]2C[C@H]1N(Cc1ccc(I)c(Br)c1)C2 2306219210 JTIGGIZWTZSELI-OUJBWJOFSA-N 470.974 4.269 50 10 JIGE CCCN1C(=O)C(=CNc2c(Br)cc([N+](=O)[O-])cc2Br)C(C)=C(C#N)C1=O 2314585824 WKOCHMZRKPULNB-UHFFFAOYSA-N 498.131 4.034 50 10 JIGE COc1ccc(N2C(=O)[C@H](Cc3ccc(F)cc3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314593019 FWFYJKKTYRNJEE-QFIPXVFZSA-N 477.517 4.170 50 10 JIGE CCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2cc(Cl)ccc2Cl)c(OC)c1 2314737385 FNVOZUDAKXBTQH-UHFFFAOYSA-N 463.317 4.420 50 10 JIGE COc1c(Br)cc(C)c([C@@H](Br)[C@@H]2COCCO2)c1Br 2339650452 GGNJJOSKMPIAHU-ONGXEEELSA-N 458.972 4.380 50 10 JIGE Clc1ccc(CN2CCC3(CC2)C[C@H](Br)CO3)c(I)c1 2366714432 IPSDDUJVNRXUOS-LBPRGKRZSA-N 470.576 4.463 50 10 JIGE N#C/C(C(=O)COC(=O)CSc1ccc2ccccc2c1)=C(/c1ccc(F)cc1)N1CCOCC1 3376203 OEFZYMIQWRZZRE-SOYKGTTHSA-N 490.556 4.450 50 10 JIGE CC[C@H](Oc1cccc(C)c1)C(=O)NNC(=O)COc1ccc(C(C)C)cc1Br 14023421 JJZSFOZGQAOGIS-IBGZPJMESA-N 463.372 4.265 50 10 JIGE CCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(OCC(C)C)cc1 14036267 KLGXVRGPBZGONN-UHFFFAOYSA-N 457.596 4.240 50 10 JIGE CCCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(CC)CC1)C(=O)C(C)(C)CCl 34835510 PRLDELILCZPFNN-UHFFFAOYSA-N 478.056 4.465 50 10 JIGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cc(OC)c(OC)c(OC)c2)cc1 38660444 CBGFVFBAMOFAAF-DEOSSOPVSA-N 488.496 4.158 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)NC[C@@H]2CCC[C@H]2Br)cc1Br 136553853 QQTGPFWIFRSMRX-VHSXEESVSA-N 490.055 4.362 50 10 JIGE COc1cc(C=NNC(=O)CSc2nc3ccccc3n2Cc2ccc(C)cc2)ccc1O 254820093 VKNZFCUMBXDRBF-UHFFFAOYSA-N 460.559 4.350 50 10 JIGE CC(C)(C)c1ccc(COc2ccccc2C=NNC(=O)CSc2nnc(N)s2)cc1 256028628 ZACIXTZYLCUUNW-UHFFFAOYSA-N 455.609 4.239 50 10 JIGE CC(C)[C@H](Br)C(=O)Nc1cc(I)ccc1Br 300993405 VSPABEYFNMDUJI-JTQLQIEISA-N 460.935 4.412 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1CCC(F)(F)[C@H](CBr)C1 403957994 JBUBBRIEQBJTBF-MRVPVSSYSA-N 478.502 4.437 50 10 JIGE Cn1ccnc1CC(CBr)(CBr)c1ccccc1Br 708375423 QILVUCGSXGIGMW-UHFFFAOYSA-N 451.000 4.453 50 10 JIGE C[C@@H](CBr)CN(C)C(=O)c1ccc(I)c(Br)c1 721505390 ALIBATKJHWAGMG-QMMMGPOBSA-N 474.962 4.157 50 10 JIGE O=C(NC[C@@H](c1cccs1)N(C(=O)CCl)c1ccc(Oc2ccccc2)cc1)N1CCNCC1 725238321 GUEDUVWNITVJQM-QFIPXVFZSA-N 499.036 4.468 50 10 JIGE CC(=NNC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12)c1ccc(S(N)(=O)=O)cc1 915921054 UBWRBUPBCUUSDV-UHFFFAOYSA-N 478.961 4.357 50 10 JIGE COc1cc(C=NNC(=O)c2ccc(C(C)(C)C)cc2)cc(I)c1OC 1084136177 KLCFFWBWDJNOCH-UHFFFAOYSA-N 466.319 4.370 50 10 JIGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)NN=C(C)c1ccc(N)cc1 1084581947 HMHDXDQEFUXYJS-MRXNPFEDSA-N 484.029 4.333 50 10 JIGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@H](c2ccc([N+](=O)[O-])cc2)C(C#N)=C(N)O3)cc1 1865712525 ARKZBQALGXMJFJ-OAQYLSRUSA-N 466.457 4.069 50 10 JIGE Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)/C(C#N)=C/c3ccc(Cl)cc3)cc2)n1 1866128516 WEELQJLWMCTBCM-SFQUDFHCSA-N 467.938 4.093 50 10 JIGE O=S(=O)(N[C@@H](CCBr)C(F)F)c1c(Cl)cc(Br)cc1Cl 1918538978 ROGFHJOZLFDBIM-QMMMGPOBSA-N 475.964 4.453 50 10 JIGE O=C(CBr)c1cc(Br)c(Br)cc1I 2054857550 OJELKQLTXDFKIK-UHFFFAOYSA-N 482.735 4.394 50 10 JIGE O=S(=O)(c1cc(CBr)oc1Br)N1CC[C@@H](COCc2ccccc2)C1 2059264927 MSHDLQAJVJIYQH-CQSZACIVSA-N 493.217 4.164 50 10 JIGE CCN1CC[C@@H]([C@H](Br)c2cccc(Br)c2Br)S1(=O)=O 2092335633 PCUNAULQQWPKBS-CMPLNLGQSA-N 476.028 4.072 50 10 JIGE C[C@@]12CN(C(=O)c3cc(I)ccc3Br)C[C@@]1(CCl)C2 2109181971 JCDZDYPLUZKAEH-KGLIPLIRSA-N 454.533 4.145 50 10 JIGE O=C(c1cc(I)ccc1Br)N1[C@H]2CC[C@@H](C2)[C@@H]1CCl 2122178144 DUPODUUNDJUBBT-FWDPORAESA-N 454.533 4.286 50 10 JIGE O=S(=O)(c1cc(CBr)cs1)N1CC[C@@]2(CCCN(Cc3ccccc3)C2)C1 2179819147 IWPJYZFLYHRBDD-HXUWFJFHSA-N 469.470 4.320 50 10 JIGE Cc1sc(CBr)cc1S(=O)(=O)N1C[C@@H](C)CN(Cc2ccccc2)C[C@H]1C 2179822399 WJOMRNHCOZXEOM-JKSUJKDBSA-N 471.486 4.483 50 10 JIGE Cc1csc(CBr)c1S(=O)(=O)N1[C@H]2CCC[C@H]1CN(Cc1ccccc1)C2 2182304740 UZWKNQAPIKRXAP-ROUUACIJSA-N 469.470 4.379 50 10 JIGE C[C@]1(CBr)COCCN(C(=O)c2c(Br)cccc2Br)C1 2199825188 MMDKKOJBAIQBBJ-CQSZACIVSA-N 469.999 4.085 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1C[C@H](Br)[C@H](C2CC2)C1 2268349322 XDVIETPWWZWXHC-QWRGUYRKSA-N 454.533 4.190 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@@H]2C[C@H](CBr)[C@@H]2C1 2295311291 IWKPZUPUOZLXPD-SUNKGSAMSA-N 466.011 4.244 50 10 JIGE CC(C=NNC(=O)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1)=Cc1ccccc1 2295464459 APKIAFPJVOZLRK-UHFFFAOYSA-N 453.498 4.392 50 10 JIGE COc1cc(C=C(C#N)C(=O)NC(C)C)ccc1OC(=O)COc1ccccc1C(C)(C)C 2314737504 PYGQYNNDICXRSS-UHFFFAOYSA-N 450.535 4.409 50 10 JIGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)C(C#N)=Cc2ccccc2OC)c(OC)c1 2314777874 YTWVJPFAZADZFM-UHFFFAOYSA-N 459.502 4.040 50 10 JIGE CCCOc1ccc(C=NNC(=O)c2cccn(Cc3ccccc3Cl)c2=O)cc1OC 2323652970 WUFWMLQLDKITSR-UHFFFAOYSA-N 453.926 4.111 50 10 JIGE COc1cc(C=NNC(=O)[C@H](C)NC(=O)OC(C)(C)C)ccc1OCc1ccc(Cl)cc1 2328794867 ATYWULIAHSITJX-HNNXBMFYSA-N 461.946 4.291 50 10 JIGE BrC[C@@H]1CCC2(CN(Cc3ccc(Br)cc3Br)C2)O1 2336704200 IAHVUXHMJRSCOJ-LBPRGKRZSA-N 454.000 4.340 50 10 JIGE Cc1cc(C)c2c(c1)C(=NNC(=O)c1ccc(Cn3nnc(-c4ccccc4)n3)cc1)CCC2 15911707 LRMNORYHTRGCSF-UHFFFAOYSA-N 450.546 4.476 50 10 JIGE O=C(N/N=C/c1ccc(-c2ccc(C(=O)O)cc2)o1)N/N=C/c1ccc(-c2ccc(C(=O)O)cc2)o1 19871556 CKGVUWHGRYRYNE-BMNRKXRESA-N 486.440 4.270 50 10 JIGE COc1ccc(/C=N/NC(=O)CNc2c(Br)cc(C)cc2Br)c(OC)c1 20344346 DAGHMTOLZPFYML-LSFURLLWSA-N 485.176 4.099 50 10 JIGE N#C/C(=C\N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)S(=O)(=O)c1ccc(Cl)cc1 33624093 RHVHIRGPWNQLCB-FOWTUZBSSA-N 491.322 4.368 50 10 JIGE Cc1cc(/C=C(/C#N)C(=O)O[C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)c(C)n1CCC(C)C 34864297 IMGHDIUNAHQRBZ-ZIHVZMLCSA-N 465.550 4.035 50 10 JIGE N#CC1=C(N)Oc2cc(OC(=O)[C@@H]3COc4ccccc4O3)ccc2[C@H]1c1c(F)cccc1Cl 38700589 VUDYNPULOMXCIY-FCHUYYIVSA-N 478.863 4.443 50 10 JIGE Cc1c(C(=O)Nc2ccc(Br)cc2)oc2c1/C(=N/NC(=O)c1cccnc1)CCC2 40814174 DHUIOOAVSLQBAU-YZSQISJMSA-N 467.323 4.468 50 10 JIGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2ccc(C(C)(C)C)cc2)c(OC)c1 40890010 FVWMZNPVKVJLNS-HEHNFIMWSA-N 494.588 4.427 50 10 JIGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C(C#N)=C/c2ccc(OC)cc2)c(OC)c1 40977725 YFZSZHURWSPOIJ-AQPIEGPOSA-N 459.502 4.040 50 10 JIGE C[C@@H](NC(=O)CCC(=O)C(C#N)=C1N(C)c2ccccc2N1C)c1cccc(Br)c1 59350142 OODGDUUPVDKNIG-OAHLLOKOSA-N 467.367 4.297 50 10 JIGE COCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1=O 101335556 QYGHUVNTLJIVML-HZHRSRAPSA-N 497.511 4.076 50 10 JIGE CC[C@@](C)(CBr)NC(=O)c1cc(Br)ccc1I 233945711 YARLIFRWZUSDPP-LBPRGKRZSA-N 474.962 4.347 50 10 JIGE CC(=NNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1C)c1ccc([N+](=O)[O-])cc1 254572762 IRWNCHSSTXFJMB-UHFFFAOYSA-N 487.541 4.235 50 10 JIGE ClCc1c(Cl)cccc1-n1cnc(I)c1I 309168616 JMFPURHHNDGQPT-UHFFFAOYSA-N 478.886 4.474 50 10 JIGE CN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(CCl)sc1Br 380879031 BFPSZNMJTCKREK-CQSZACIVSA-N 463.850 4.144 50 10 JIGE Cn1cc([C@H](Br)c2cc(Br)ccc2I)cn1 687687702 HTFYOGUITJKEAZ-NSHDSACASA-N 455.919 4.272 50 10 JIGE ClCc1nc2cnccc2n1-c1cc(I)cc(I)c1 690393345 QKKXSWUXBOXIAV-UHFFFAOYSA-N 495.489 4.369 50 10 JIGE CCOC(=O)COc1c(Cl)cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc1Br 725427336 TXJBAPBLZBJIGZ-GOSISDBHSA-N 497.773 4.008 50 10 JIGE Cc1cc(/C=C(\C#N)C(=O)OCC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)c(C)n1CCC(C)C 728088657 KQVUKEZFSMQHPJ-PGNNWUFWSA-N 463.534 4.204 50 10 JIGE COc1ccc(Br)c(C(=O)NNC(=O)c2ccccc2CCc2ccccc2)c1 728529704 KREOLBFVQYPMCW-UHFFFAOYSA-N 453.336 4.318 50 10 JIGE O=C(CSc1nnc(CCc2ccccc2)n1-c1ccccc1)NN=Cc1ccc(O)cc1 1084142622 IIWSMDPATZWTAK-UHFFFAOYSA-N 457.559 4.001 50 10 JIGE O=C(Cn1cnc2ccccc21)NN=Cc1cc(Br)ccc1OC(=O)/C=C/c1ccco1 1084621073 RUZZJXIZQKTNKO-MCKHJNRCSA-N 493.317 4.161 50 10 JIGE CC(=O)N1CC[C@@H](CN(C)C(=O)/C(C#N)=C\c2cc(C)n(-c3cccc4ccccc34)c2C)C1 1535464887 KFUQWYIOILPDEP-JOODZBNRSA-N 454.574 4.481 50 10 JIGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)c1 1865691984 GUBUYLIXDBPBEZ-GOSISDBHSA-N 474.414 4.325 50 10 JIGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Br)cc2)cc1OC 1865707389 VTBWUENOESJWEC-HXUWFJFHSA-N 467.323 4.179 50 10 JIGE CCCSc1ccccc1C(=O)NNC(=O)[C@H](C)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1865852315 RZWJHXRAXJEXTA-CABCVRRESA-N 484.647 4.107 50 10 JIGE CN(CCN(CCOCCI)Cc1ccccc1)Cc1ccccc1 1893376779 OFPJFYMJQLWFGY-UHFFFAOYSA-N 452.380 4.072 50 10 JIGE BrC[C@@H]1CCN(Cc2ccc(I)c(Br)c2)C1 1904327717 PPVHNBDCRMKHMD-JTQLQIEISA-N 458.963 4.271 50 10 JIGE Cc1nc(I)c(I)n1-c1cc(F)cc(CCl)c1 1941550924 FCLUQPUOGBQYPH-UHFFFAOYSA-N 476.458 4.268 50 10 JIGE C[C@H]1[C@@H](CBr)CCN1c1ncc(I)cc1Br 1988531666 VXFJLPFVTKNSQC-JGVFFNPUSA-N 459.951 4.058 50 10 JIGE Clc1c(I)ccc(CBr)c1I 2060262794 ZKHZXMWZDICOTN-UHFFFAOYSA-N 457.274 4.444 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1ccc(Br)cc1F 2061268278 QXDMADNJTTXEEP-UHFFFAOYSA-N 453.399 4.224 50 10 JIGE C[C@@]12CN(C(=O)c3ccc(I)c(Br)c3)C[C@]1(CBr)C2 2109188013 UDHGGCAPTNXUMJ-ZIAGYGMSSA-N 498.984 4.301 50 10 JIGE CC1(C)[C@H](CBr)CCN1S(=O)(=O)c1cc(Br)ccc1Br 2151554250 XZSCGSIFEZDQLT-VIFPVBQESA-N 490.055 4.396 50 10 JIGE O=C(NC[C@]1(F)CC[C@@H](CBr)CC1)c1cccc(I)c1 2178588620 FQTPZGZBKOLWAB-WGRBQBNCSA-N 454.121 4.314 50 10 JIGE O=S(=O)(c1cc(Cl)cc(CBr)c1Cl)N1CC2(CN(Cc3ccccc3)C2)C1 2179862918 DQHBFDCWVNXPJQ-UHFFFAOYSA-N 490.250 4.395 50 10 JIGE O=S(=O)(c1ccsc1CBr)N1CCCN(Cc2ccccc2)CC(F)(F)C1 2179868423 KDCZSQJYLIMCDA-UHFFFAOYSA-N 479.412 4.175 50 10 JIGE ClCc1nc2cc(Br)cnc2n1C[C@H]1CC1(Br)Br 2217991510 GHFYHWXCRIMSNQ-ZCFIWIBFSA-N 458.379 4.439 50 10 JIGE Cc1ccc(C(=O)N[C@H]([C@H](C)Br)C(F)(F)F)cc1I 2224627938 CANRUQLUBMJGPX-OIBJUYFYSA-N 450.036 4.044 50 10 JIGE CCCN(C[C@H](C)Br)S(=O)(=O)c1cc(Br)ccc1Br 2272447096 YCTLUGYJCWEUMO-VIFPVBQESA-N 478.044 4.396 50 10 JIGE CC(C)(C)OC(=O)N1CCCC(NS(=O)(=O)c2ccc(CBr)cc2)CCC1 2284614315 NULGLUXEBHMKQQ-UHFFFAOYSA-N 461.422 4.040 50 10 JIGE Cc1ccc(-c2n[nH]cc2C=C(C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1 2295635826 USYHUSJTMLIARU-UHFFFAOYSA-N 490.570 4.188 50 10 JIGE BrC[C@@H]1[C@H]2CN(Cc3ccc(I)c(Br)c3)C[C@H]21 2306228169 PBHDYMYAKCUSTQ-RTCCRHLQSA-N 470.974 4.126 50 10 JIGE CCOc1ccc(C=C(C#N)C(=O)Oc2ccc3cc(C(=O)NCC(C)C)c(=O)oc3c2)cc1 2314751241 YNVMLBLGVBHERJ-UHFFFAOYSA-N 460.486 4.090 50 10 JIGE O=C(NN=Cc1cc(Br)ccc1O)c1ccc2nc(-c3ccccc3O)[nH]c2c1 2323740109 UGIBYRBHSMXHRZ-UHFFFAOYSA-N 451.280 4.168 50 10 JIGE CCCOc1ccc(C=NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1OCC 2325903205 FXEWCLFVWVMVFV-IRXDYDNUSA-N 496.633 4.482 50 10 JIGE C[C@@H](Br)CCc1cn(Cc2ccc(Cl)c(I)c2)nn1 2337192447 MAGGKCAFUITBMH-SECBINFHSA-N 454.537 4.300 50 10 JIGE Cc1cc2c(c(=O)n1CCc1ccccc1)[C@H](c1cccc(Br)c1)C(C#N)=C(N)O2 2347212 PBSCMIYFLFCCFH-OAQYLSRUSA-N 462.347 4.380 50 10 JIGE CC[C@@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)c1 10672521 WVQMJZUSDWUSHF-IAGOWNOFSA-N 465.575 4.120 50 10 JIGE Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 14665749 LRWYNKNIWPVGHP-MRXNPFEDSA-N 459.974 4.280 50 10 JIGE COCCn1c(C)cc(/C=C(/C#N)C(=O)OCC(=O)Nc2ccccc2SC(F)F)c1C 96936580 QPFOQNVKFYZXDD-BOPFTXTBSA-N 463.506 4.155 50 10 JIGE COc1ccc(N/C=C2/C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1Cl 101233970 RXBCKNAETHRTRJ-XMHGGMMESA-N 481.936 4.113 50 10 JIGE CCc1ccc(N2C(=O)[C@@H](Cc3cccc(C(F)(F)F)c3)S/C2=C(/C#N)C(=O)NC)cc1 101240461 ACGQWYSHDPEWIT-SBOLGIJOSA-N 459.493 4.440 50 10 JIGE CC(=C/c1ccccc1)/C=C(/NC(=O)c1ccccc1)C(=O)N/N=C1\C(=O)Nc2ccc(C)cc21 103792514 SFBHLMGAUTVETR-PIGGLVLRSA-N 464.525 4.185 50 10 JIGE CC(CBr)(CBr)NC(=O)c1ccc(Br)cc1Br 232762306 WEDSAVFUVOJQKT-UHFFFAOYSA-N 492.831 4.490 50 10 JIGE CC(CC(=O)Nc1ccc(Br)cc1)=NNC(=O)c1ccc(Br)cc1 254705941 JOMWXFFKJCYGKF-UHFFFAOYSA-N 453.134 4.346 50 10 JIGE COc1ccc(COc2c(Br)cc(Br)cc2CBr)nn1 312543550 WPZXYEBGNGKVJB-UHFFFAOYSA-N 466.955 4.484 50 10 JIGE BrC1=CCc2c3c(n(-c4ccc(Br)cc4)c2=C1)=C[C@H](Br)C=C3 575448672 QBOQUHHKTKXXII-GFCCVEGCSA-N 482.013 4.426 50 10 JIGE O=S(=O)(N[C@@H]1CCC[C@H](Br)C1)c1cc(Br)ccc1Br 694496293 JRHPRFCAQSHXLM-WCBMZHEXSA-N 476.028 4.196 50 10 JIGE C[C@H](CBr)[C@H]1CCCCN1C(=O)c1ccc(I)c(O)c1 696715772 ZKKVZUZBFDNLOX-ZWNOBZJWSA-N 452.130 4.023 50 10 JIGE CC1(C)CN(C(=O)c2scc(Br)c2Br)C[C@@H](CBr)O1 705421614 ZBTVSNFXXGFZTG-SSDOTTSWSA-N 476.028 4.288 50 10 JIGE CC(C)(C)OC(=O)NCCc1ccc(CNC(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)cc1 725874525 KBXVOMBOTZLSPU-UHFFFAOYSA-N 468.598 4.196 50 10 JIGE CC(C)c1ccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)cc1 1084061303 YJZTVSBRYAKOPN-UHFFFAOYSA-N 463.603 4.194 50 10 JIGE C#C[C@H](NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(Br)cc2)c1C)[C@@H]1CCCO1 1539109717 NYAGLSWHWVSRCN-ZJKDUQGASA-N 452.352 4.061 50 10 JIGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cc1 1666993036 SBUYEYBTYMPJAR-INIZCTEOSA-N 458.474 4.318 50 10 JIGE Cc1c(C(=O)Oc2cccnc2)oc2c1C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772747114 DYTWYSWPFRUSQA-UHFFFAOYSA-N 468.853 4.234 50 10 JIGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(O)c(O)c2)cc1 1865680419 KAPHQOIQJGUIRH-QFIPXVFZSA-N 452.470 4.177 50 10 JIGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccn2)ccc1OC(=O)c1ccccc1 1865704972 JEPZJWJGERNMCN-DEOSSOPVSA-N 479.496 4.022 50 10 JIGE COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(Cl)c2)cc1OC 1865710811 JDZOKJKPXRZSCB-QFIPXVFZSA-N 466.925 4.137 50 10 JIGE Cc1nn(CCBr)c(C)c1S(=O)(=O)N(Cc1ccccc1)Cc1ccccc1 1885383106 PXYUJMZQBWZFFV-UHFFFAOYSA-N 462.413 4.286 50 10 JIGE CCN(C[C@@](C)(CI)OC[C@@H]1CCCCCO1)C(=O)OC(C)(C)C 1947245280 JFZLYZPBQUWZGX-MAUKXSAKSA-N 455.377 4.413 50 10 JIGE CCOc1cc(C[C@@H](CBr)NC(=O)OC(C)(C)C)cc(Br)c1O 1987618815 NIDULOHZECLFRH-NSHDSACASA-N 453.171 4.384 50 10 JIGE CC[C@H]1CN(c2ncc(I)cc2Br)C[C@@H]1Br 1988533461 VVTOGURUHUKGTQ-XVKPBYJWSA-N 459.951 4.058 50 10 JIGE CCc1cc(CCl)cc(-n2c(C)nc(I)c2I)n1 2028582577 AQZQTBPDXZQOSC-UHFFFAOYSA-N 487.510 4.086 50 10 JIGE CCOC(=O)c1cc(CBr)c(I)c(OC(F)(F)F)c1 2055273227 SSGIYKXKTPEEBE-UHFFFAOYSA-N 452.992 4.261 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@H](C2CC2)[C@@H](Cl)C1 2090673660 IUZGUJWLQAUZFE-NEPJUHHUSA-N 454.533 4.143 50 10 JIGE CCCN1CC[C@H]([C@H](Br)c2ccc(Br)cc2Br)S1(=O)=O 2145775113 ZQHOCSIIJXDIEN-CHWSQXEVSA-N 490.055 4.462 50 10 JIGE COc1cc([C@H](Br)c2cn(C)nc2Br)c(OC)cc1Br 2173182711 MBYCRNLTRGWEHS-LBPRGKRZSA-N 468.971 4.447 50 10 JIGE CCOCCOCCO[C@](C)(CI)c1ccccc1Br 2181238363 NDVNGUWBXTYLDG-OAHLLOKOSA-N 457.146 4.169 50 10 JIGE CCC[C@@H]1CN(C(=O)c2ccc(I)c(C)c2)C[C@@H]1CBr 2207108917 ZZDUEVDBHDCTQA-KGLIPLIRSA-N 450.158 4.483 50 10 JIGE CN(C[C@@H]1C[C@@H]1Br)C(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2229108186 TWBAACJGJDHULN-BPUTZDHNSA-N 490.236 4.127 50 10 JIGE CCN(CC)S(=O)(=O)C[C@@H](Br)c1ccc(Cl)c(I)c1 2268270268 NHIPKVLTMRVSHO-SNVBAGLBSA-N 480.593 4.052 50 10 JIGE C[P@]1(=O)C[C@@H](Br)[C@@H](NC(=O)Cc2cc(Br)cc(Br)c2)C1 2295312095 SZNUAPMVNQXRHP-JGRMJRGVSA-N 487.954 4.009 50 10 JIGE C[C@@H]1CC2CC(CO[C@]3(CI)CCCN(C(=O)OC(C)(C)C)C3)(C2)O1 2319565722 TWPAWYBSDZAISN-IWXNBZKKSA-N 465.372 4.165 50 10 JIGE C[P@]1(=O)C[C@H](Cl)[C@H](NCc2ccc(I)c(Br)c2)C1 2325209900 SMHGAVDLWCEMHP-NMOXLHADSA-N 462.493 4.126 50 10 JIGE CC(C)c1ccc(C=CC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 2325886248 VFMFWEKFMRQENC-IRXDYDNUSA-N 478.618 4.128 50 10 JIGE C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)NN=Cc4ccccc4C(F)(F)F)c(=O)c23)C1 2325903155 AVIWDCXAHYSZEE-CHWSQXEVSA-N 462.497 4.313 50 10 JIGE O=C(c1cc(Br)ccc1I)N1[C@H]2CC[C@@H]1[C@H](CCl)C2 2329072070 VTXXXULPAHFIJO-GMOODISLSA-N 454.533 4.286 50 10 JIGE Clc1ccc(CN2C[C@@H]3CC[C@H](CBr)O[C@H]3C2)c(I)c1 2366720401 FDQGCMMQGQQXEB-LNSITVRQSA-N 470.576 4.319 50 10 JIGE Clc1ccc(I)cc1CN1CCO[C@@H]2C[C@H](CBr)C[C@H]21 2380531571 RCCYWQXTYRIUOE-VCTAVGKDSA-N 470.576 4.319 50 10 JIGE N=C1/C(=C/c2cccc(OCCBr)c2)C(=O)N=C2SC(COc3ccccc3)=NN12 101054092 NVAIJMBDECRLOY-ZTHFNACSSA-N 485.363 4.158 50 10 JIGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 101339764 GYAKNZKBXUCLKJ-YBFXNURJSA-N 483.436 4.376 50 10 JIGE CCCOc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(C#N)cc2)cc1 254319081 UJCVVHWCSXFALA-IULDJXJSSA-N 452.514 4.268 50 10 JIGE Cc1cccc(C=NNC(=O)CSc2nnc([C@@H](C)Nc3cccc4ccccc34)n2C)n1 254492773 JYPXPMLOQOILRG-QGZVFWFLSA-N 459.579 4.087 50 10 JIGE CCCOc1ccc(C(=O)NN=Cc2ccc(OC(=O)c3ccc(OC)c(OC)c3)cc2)cc1 254514834 YSGNQYRJHKRVOL-UHFFFAOYSA-N 462.502 4.476 50 10 JIGE FC(F)(F)Oc1nc(I)c(Br)cc1CBr 396185945 WBSQSAJUJGYNHV-UHFFFAOYSA-N 460.813 4.242 50 10 JIGE Brc1cc([C@H](Br)Cc2ncc[nH]2)ccc1I 721583311 BBUMHCSJHVVARD-MRVPVSSYSA-N 455.919 4.456 50 10 JIGE O=C(CCc1ccc2c(c1)OCO2)NN=C1C(=O)N(Cc2ccccc2Cl)c2ccccc21 1084192836 XVTXBOQQVUEYGE-UHFFFAOYSA-N 461.905 4.069 50 10 JIGE CN(C)c1ccc(CCNC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)cc1 1115940428 GUWXDDOOQHSKQD-LTGZKZEYSA-N 472.980 4.449 50 10 JIGE C#Cc1cccc(NC(=O)CNC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)c1 1351038766 LXKQDUHBTREULZ-KGENOOAVSA-N 456.933 4.391 50 10 JIGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)c1OC 1865701547 XWIDBDOCIVWALK-QGZVFWFLSA-N 474.414 4.325 50 10 JIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc(Cl)c2)ccc1O 1865705665 BMAHLIBWCRBHLE-MRXNPFEDSA-N 462.815 4.477 50 10 JIGE C[C@@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1cc(Br)cs1 1914348670 PYEGRARLQSWBOF-NSHDSACASA-N 453.221 4.485 50 10 JIGE O=C(Cc1ccccc1I)NCC1CCC(CBr)CC1 1922682720 GTSATOVLZQPCKM-UHFFFAOYSA-N 450.158 4.151 50 10 JIGE CN(CCN(Cc1ccccc1)S(=O)(=O)N1CCC(CCCl)CC1)Cc1ccccc1 2001898917 UCHGFLGMMJIQKZ-UHFFFAOYSA-N 464.075 4.206 50 10 JIGE C[C@@H]1CC[C@H](CBr)N(c2ncc(I)cc2Br)C1 2015757025 NNMZYBQFDRUUNJ-PSASIEDQSA-N 473.978 4.449 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CN(Cc2ccccc2)[C@@]2(CCCOC2)C1 2061261620 BGZIGUIJRXLTDP-QPPBQGQZSA-N 481.728 4.306 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H](Cl)CC12CCC2 2099392279 NXOJIWZFYXHSFI-JTQLQIEISA-N 454.533 4.430 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CCC[C@](F)(CCl)C1 2101289468 ULHGGXNNADIUDO-ZDUSSCGKSA-N 460.512 4.237 50 10 JIGE O=C(c1cc(Br)ccc1Br)N1C[C@@H]2CC[C@H](C1)C2Br 2111473586 LJABKEZSQMJLAN-PHXKMMTBSA-N 451.984 4.457 50 10 JIGE COc1cccc(Br)c1C(=O)NCCSSCCNC(=O)OC(C)(C)C 2125302751 WZVUPWPIRQITEQ-UHFFFAOYSA-N 465.435 4.094 50 10 JIGE Clc1cc(CN2CC[C@@]3(C[C@H](Br)CO3)C2)ccc1I 2142952834 KWGZOQWFSUEWGT-SMDDNHRTSA-N 456.549 4.073 50 10 JIGE CN(Cc1nccn1Cc1ccccc1)S(=O)(=O)c1ccc(CBr)c(Cl)c1 2179776243 RTVQZTYMUQZTDZ-UHFFFAOYSA-N 468.804 4.300 50 10 JIGE O=C(c1ccc(F)cc1I)N1[C@H]2CC[C@@H]1C[C@H](CBr)C2 2184575818 XAPUBFPKDWYPHD-YHPBZONMSA-N 452.105 4.208 50 10 JIGE C[C@H](CCl)CC1CN(C(=O)c2cc(Br)ccc2I)C1 2230531672 KFXNUZNMSNWELE-VIFPVBQESA-N 456.549 4.391 50 10 JIGE Cc1ccc(I)c(C(=O)NC[C@H](Br)CC(F)(F)F)c1 2232167294 TULCTARRTLJDFH-MRVPVSSYSA-N 450.036 4.045 50 10 JIGE O=C(N[C@H](CBr)C(F)(F)F)c1ccc(Cl)c(I)c1 2256389781 MMUUNQXCCVZWQG-MRVPVSSYSA-N 456.427 4.000 50 10 JIGE N#CC(=Cc1cc2c(cc1Br)OCO2)C(=O)Nc1cccc(Br)c1 2294168474 NBKOBMFFHDIOMG-UHFFFAOYSA-N 450.086 4.486 50 10 JIGE F[C@H](CBr)C1CN(Cc2ccc(I)c(Br)c2)C1 2306226412 IPQOPZWZYSKNEA-LLVKDONJSA-N 476.953 4.219 50 10 JIGE CC(C)(C)OC(=O)NC[C@]1(C(F)(F)F)CCCN1C[C@]1(CBr)CC1(F)F 2351887933 RZGFMRIOPQRMER-KGLIPLIRSA-N 451.274 4.328 50 10 JIGE Cc1cc(Br)cc(C)c1OCC(=O)NNC(=O)COc1ccc(-c2ccccc2)cc1 12490209 CNNLVHHVBNTOHG-UHFFFAOYSA-N 483.362 4.338 50 10 JIGE CCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2sc3ccccc3c2Cl)cc1 12502524 BPKKZIMSCKLPHW-UHFFFAOYSA-N 474.995 4.243 50 10 JIGE Cc1ccc(NC(=O)CCC(=O)N/N=C/c2ccccc2OCc2ccccc2)c([N+](=O)[O-])c1 20357312 IBEPRQZHEHNIEV-WGOQTCKBSA-N 460.490 4.351 50 10 JIGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)cc1 38685792 FCSFCRXLEFWMAT-HSZRJFAPSA-N 457.442 4.431 50 10 JIGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccccc3)nc3ccccn3c2=O)cc1 39992797 DZGVOACGSNIOOE-KNTRCKAVSA-N 480.480 4.209 50 10 JIGE CC(=O)c1cccc(Nc2ncnc(NNC(=O)c3ccc(Cl)cc3Cl)c2[N+](=O)[O-])c1 40593507 MHHVUIFBUXCREL-UHFFFAOYSA-N 461.265 4.395 50 10 JIGE COc1cc(-c2cc(C(=O)N/N=C3\C(=O)N(C)c4ccccc43)c3ccccc3n2)cc(OC)c1OC 105481096 MIWKSVGWQZRDHJ-JVCXMKTPSA-N 496.523 4.038 50 10 JIGE FC(F)c1ncc(I)c(I)c1CBr 238647349 FZBSBCUDDWXTAP-UHFFFAOYSA-N 473.824 4.123 50 10 JIGE COc1cc(C=NNC(=O)COc2cc(C)ccc2C(C)C)ccc1OC(=O)c1ccco1 254808642 UUIWEJMFPPTSCR-UHFFFAOYSA-N 450.491 4.468 50 10 JIGE COc1cc(C=NNC(=O)COc2ccc(C)c(C)c2)ccc1OC(=O)/C=C/c1ccccc1 254820799 DJAYYXPUDFLRRL-YFMBDZIFSA-N 458.514 4.460 50 10 JIGE CC(C)[C@@H](Br)C(=O)Nc1ccc(I)c(Br)c1 300891930 FMRATVLGDVDTQY-SNVBAGLBSA-N 460.935 4.412 50 10 JIGE COc1cc(Br)c([C@@H](Br)c2c(Br)cnn2C)cc1OC 693082732 CSRIDXVEBINLGB-GFCCVEGCSA-N 468.971 4.447 50 10 JIGE CCc1nnc(COc2c(Br)cc(Br)cc2CBr)n1C 697762997 MNZXLMDMCIFASP-UHFFFAOYSA-N 467.987 4.376 50 10 JIGE CC(=O)c1ccccc1NC(=O)[C@H](C)OC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1 729344499 IDTLRFDXCGDPEK-SLOMDMAXSA-N 481.512 4.144 50 10 JIGE CC(C)(C)c1csc(CCNC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)n1 729439350 HGIPIJUIHWFDBL-RGEXLXHISA-N 458.591 4.484 50 10 JIGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)CCCS(=O)(=O)c1ccc(Br)cc1 730961647 NBQLQXHROFJXKV-UHFFFAOYSA-N 468.325 4.245 50 10 JIGE COc1ccc(OC)c(NC(=O)C(=O)NN=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)c1 1083942495 AQWMFUUEQBKEFS-UHFFFAOYSA-N 462.289 4.359 50 10 JIGE COc1ccc(C=NNC(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)c(OC)c1 1084186288 VICHUACQUJQXIZ-UHFFFAOYSA-N 482.334 4.483 50 10 JIGE CCOc1ccc(C=NNC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 1084457439 QCMWBLLAVGZJMN-UHFFFAOYSA-N 485.993 4.393 50 10 JIGE CCCOc1ccc(C(=O)NN=Cc2cc(Br)cc(Br)c2O)cc1 1084614686 PYWGTJWPFXSYQJ-UHFFFAOYSA-N 456.134 4.470 50 10 JIGE CS(=O)(=O)c1cccc(S(=O)(=O)/C(C#N)=C/Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 1088699639 OHINXYKMBNETCS-MHWRWJLKSA-N 498.426 4.378 50 10 JIGE Cc1ccc2c(c1)C(=NNC(=O)COc1ccccc1Br)C(=O)N2CCC(C)C 1772720969 YBRUMMAGXNPXEV-UHFFFAOYSA-N 458.356 4.050 50 10 JIGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(N(C)C)cc1)C(C#N)=C(N)O2 1865683976 RYFPFCHFLHPARB-FQEVSTJZSA-N 464.367 4.481 50 10 JIGE O=C(c1csc(Br)c1Br)N1C[C@@H]2[C@@H](CBr)C[C@H]2C1 2053982676 KYGDWCGYAQWZMY-GJMOJQLCSA-N 458.013 4.376 50 10 JIGE O=S(=O)(c1cc(CBr)ccc1Br)N1CC[C@@H](OCc2ccccc2)C1 2059313511 ZKCPSMVZIXZYDO-MRXNPFEDSA-N 489.229 4.324 50 10 JIGE C[C@H]1CCN(C(=O)c2ccc(Br)cc2I)C[C@H]1Br 2086146766 FDQNZPHMJCMDPQ-GZMMTYOYSA-N 486.973 4.299 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CC[C@H](Br)[C@H]1C1CC1 2130611636 MSDKERMCJBKCBM-WCQYABFASA-N 498.984 4.442 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@@H](Br)[C@H](C2CC2)C1 2146835303 VDAGQSZBHDVLHW-CMPLNLGQSA-N 488.039 4.006 50 10 JIGE O=S(=O)(N[C@H]1CC[C@H](CBr)CC1)c1cc(Br)ccc1Br 2175088541 SYOPMDIUTFWNCE-HOMQSWHASA-N 490.055 4.444 50 10 JIGE CCOc1ccc(S(=O)(=O)N(CCCOC)Cc2ccccc2)cc1CBr 2179828558 RFDWAAHKLZRONE-UHFFFAOYSA-N 456.402 4.208 50 10 JIGE CCN(C[C@@](C)(CI)OCC1CC(OC(F)F)C1)C(=O)OC(C)(C)C 2222518364 MWRLTFJUJLSJGC-QWQCLYJRSA-N 477.330 4.472 50 10 JIGE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)[C@@H](Br)C2CCCC2)C[C@@H]1C(F)(F)F 2279304976 SBWQLRDTIGNUGN-MJBXVCDLSA-N 457.331 4.387 50 10 JIGE O=C(c1c(F)cccc1I)N1CCC[C@H](CCCBr)C1 2282807020 IDCDJLKQXWEICY-NSHDSACASA-N 454.121 4.458 50 10 JIGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)C=Cc1ccc(C(C)C)cc1 2314793419 RSVHXFJPPHGPCU-UHFFFAOYSA-N 460.530 4.203 50 10 JIGE O=C(N[C@H]1C[C@@H](CCl)[C@@H]2C[C@H]12)c1ccc(Br)cc1I 2333351195 SXVYBBRSIGBBBJ-IRDCDUOOSA-N 454.533 4.047 50 10 JIGE COc1ncc(Br)c(C)c1CNCCSSCCNC(=O)OC(C)(C)C 2342431320 GMSFINHMCVXLHK-UHFFFAOYSA-N 466.467 4.157 50 10 JIGE CCN(C[C@@](C)(CI)OCc1ncc2ccccn12)C(=O)OC(C)(C)C 2352606510 CLBFKHAEWRMIKF-LJQANCHMSA-N 473.355 4.302 50 10 JIGE O=C(N/N=C1/C(=O)N(Cc2ccccc2Cl)c2ccc(Br)cc21)c1ccncc1 1499665 FSOFWQDENCGSKS-NCELDCMTSA-N 469.726 4.178 50 10 JIGE COc1ccc(CC(=O)NNC(=O)c2ccc(SCc3ccccc3F)c([N+](=O)[O-])c2)cc1 3020484 LHCLDSPKYIOULR-UHFFFAOYSA-N 469.494 4.039 50 10 JIGE Cc1ccc2c(c1Br)C(=NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl)C(=O)N2 12581202 MDCSVZWFFISYGA-UHFFFAOYSA-N 498.164 4.256 50 10 JIGE CCc1ccc(OCC(=O)NNC(=O)c2cccc(OCCC(C)C)c2)c(Br)c1 14644628 OJPCWFHJUSNWPQ-UHFFFAOYSA-N 463.372 4.276 50 10 JIGE CCCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(N)=O)cc2OC)cc1OC 40890427 HXLJOMALBGQVDE-ZNQUXATOSA-N 464.518 4.284 50 10 JIGE COc1ccc(/C=N/NC(=O)COc2ccc(Br)c(C)c2)cc1Br 40902913 HXXUOGHPIUETOU-AWQFTUOYSA-N 456.134 4.058 50 10 JIGE C[C@H](Sc1nnc(-c2cccc(Cl)c2)n1-c1ccccc1)C(=O)NNC(=O)C1CCC1 59883153 BYUZXYTWOUPZQB-AWEZNQCLSA-N 455.971 4.016 50 10 JIGE Cc1nn(CCO)c(C)c1/C=N/NC(=O)C=C(Sc1ccccc1)Sc1ccccc1 59914602 XXBQCPDINGQLCJ-LFVJCYFKSA-N 452.605 4.368 50 10 JIGE COc1cc(/C=C2/C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1 101341194 KIFUNXBEZBQQQA-CIAFOILYSA-N 494.931 4.083 50 10 JIGE CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C[C@H]1O[Si](C)(C)C(C)(C)C 195784144 DKEAALKCPSPQCU-SOLBZPMBSA-N 456.732 4.236 50 10 JIGE CCOc1ccc(OCC(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2OCC)cc1 206744854 LABSIMVMGPSXLM-ZHZULCJRSA-N 490.512 4.285 50 10 JIGE CC(=O)Nc1ccc(NC(=O)/C(C#N)=C\Nc2ccc(I)cc2C)cc1 216925214 KYWHOQYSWRZDMG-KAMYIIQDSA-N 460.275 4.016 50 10 JIGE CC[C@H](CCBr)NC(=O)c1cc(Br)ccc1I 234007511 NWXJGHHAZHEGAP-SECBINFHSA-N 474.962 4.347 50 10 JIGE COC(=O)c1ccc(-n2c(C)cc(C=NNC(=O)C(O)(c3ccccc3)c3ccccc3)c2C)cc1 254307274 HPCFFFAIJJOGQC-UHFFFAOYSA-N 481.552 4.267 50 10 JIGE CC(C)(C)[C@H](Br)CNS(=O)(=O)c1cc(Br)ccc1Br 324352083 PEZQRYPZZRGOEQ-LLVKDONJSA-N 478.044 4.300 50 10 JIGE CN1C(C(=O)Nc2nc(CO[Si](C)(C)C(C)(C)C)cs2)=C(O)c2ccccc2S1(=O)=O 504279864 FZZDGAKTURASGE-UHFFFAOYSA-N 481.672 4.164 50 10 JIGE in-vitro Cn1c([C@H](Br)c2cc(I)cc3c2OCC3)cnc1Cl 696509441 KLPFAWKDEQAMSF-LLVKDONJSA-N 453.505 4.097 50 10 JIGE C[C@H]1CCN(S(=O)(=O)c2cc(Br)ccc2Br)C[C@@H]1CBr 700446555 SFGVYCJVRCNZRV-UWVGGRQHSA-N 490.055 4.253 50 10 JIGE CC(C)CC(=O)N[C@H](C(=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1)c1ccccc1 727363844 FOWGKHAGOVPGIQ-VWLOTQADSA-N 477.536 4.069 50 10 JIGE C[C@@H]1CCc2ccccc2N1C(=O)COC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1 800724050 IDTLHIVOGRPQRD-OGTCDWKQSA-N 479.540 4.282 50 10 JIGE C=CCN(c1ccc(C(=O)NN=C(C)c2ccc(OC)c(OC)c2)cc1)S(=O)(=O)c1ccccc1 1084270324 NWGAATRMOGAGMK-UHFFFAOYSA-N 493.585 4.239 50 10 JIGE O=C(OCc1ccccc1)N1C[C@H](c2ccc(O)c([N+](=O)[O-])c2)[C@@H](CI)C1 1614615547 OBXZPAMJTIBKNC-JKSUJKDBSA-N 482.274 4.088 50 10 JIGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2cc(Cl)ccc2N2CCCCC2)cc1 1665542928 DNDHVWCINOHUEG-INIZCTEOSA-N 458.946 4.153 50 10 JIGE Cc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(N(C)C)cc1)C(C#N)=C(N)O2 1865683333 IYAGHIQTPUPHJD-HXUWFJFHSA-N 450.340 4.227 50 10 JIGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@H](c2cccn2C)C(C#N)=C(N)O3)cc1 1865699221 NRSAMSOKSGWSCY-QFIPXVFZSA-N 455.493 4.303 50 10 JIGE CCCc1nn(-c2ccccn2)c2c1[C@@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865701635 ACZGYZNFXCHCMZ-SFHVURJKSA-N 454.303 4.340 50 10 JIGE Cc1nc(-c2ccc(Cl)cc2)ccc1C(=O)NNC(=O)c1ccccc1S(=O)(=O)CC(C)C 1865755808 QZYRZVYDYFRMLG-UHFFFAOYSA-N 485.993 4.215 50 10 JIGE CCOC(=O)c1cnn(-c2cccc(Cl)c2)c1NC(=O)/C(C#N)=C/c1ccc(OC)cc1 1866126507 WDKMQNYACVGCDZ-LFIBNONCSA-N 450.882 4.257 50 10 JIGE N#C/C(=C\c1cccc(Cl)c1)C(=O)Nc1ccc(I)cc1C(=O)O 1866129617 BQQDWNQAAOZMTN-IZZDOVSWSA-N 452.635 4.188 50 10 JIGE CC(=O)CN1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(F)cc3)n2)CC1 1868456035 HZJWDOGUGJRZEE-UHFFFAOYSA-N 462.554 4.310 50 10 JIGE ClC[C@H](OCc1cccc(I)c1)[C@@H](I)CCl 1902252145 MJAPMXNQIKQYMN-QWRGUYRKSA-N 484.930 4.458 50 10 JIGE CC(C)(CBr)N(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)OCCCO2 1915750097 RYNZHXKOYWZYIJ-UHFFFAOYSA-N 454.386 4.212 50 10 JIGE O=C(NC[C@H](Br)CBr)c1cc(Br)sc1Br 1961824807 UESQOLDWZOJNSW-SCSAIBSYSA-N 484.833 4.161 50 10 JIGE CC1(C)[C@@H](Cl)C[C@@H]1CNC(=O)c1ccc(I)c(Br)c1 2097947845 BAMFAJHFQHDWSR-SKDRFNHKSA-N 456.549 4.437 50 10 JIGE CC(C)(COc1c(Br)cc(Br)cc1CBr)S(C)(=O)=O 2111594074 XDQPDKDISCJYAN-UHFFFAOYSA-N 479.028 4.309 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1C[C@H]2C[C@H](Br)C[C@H]2C1 2128631022 JISSYNSBXMKMCZ-MYJAWHEDSA-N 454.533 4.190 50 10 JIGE Clc1cc(CN2[C@H](CBr)C[C@@H]3OCC[C@@H]32)ccc1I 2142944511 SVNAQBMYVJLMSN-BPNCWPANSA-N 456.549 4.071 50 10 JIGE CN(C(=O)c1cccc(F)c1I)C1CCC(CBr)CC1 2171102009 QYGRZMWDGZTBFM-UHFFFAOYSA-N 454.121 4.456 50 10 JIGE CN([C@@H](CCBr)C(F)F)S(=O)(=O)c1ccc(Cl)c(Br)c1 2178521735 WZAWLBBQDUDWTQ-JTQLQIEISA-N 455.546 4.142 50 10 JIGE C[C@@H]1CN(C(=O)c2cc(Br)cc(Br)c2)C[C@@H](CCBr)O1 2179373259 DRMRGAUTKVXWGV-NOZJJQNGSA-N 469.999 4.226 50 10 JIGE Cc1cc(CBr)ccc1S(=O)(=O)N(C)C[C@H]1CCN(Cc2ccccc2)C1 2179789457 QPTXHNUBCHFRCW-HXUWFJFHSA-N 451.430 4.033 50 10 JIGE C[C@@]1(CCBr)CCN(S(=O)(=O)c2cc(Br)ccc2Br)C1 2188435141 PDTNNDOYQQDTFH-CYBMUJFWSA-N 490.055 4.397 50 10 JIGE C[C@H](NC(=O)c1ccc(Br)cc1Br)c1nnc(CBr)s1 2192615003 GEJMMMACYNBQIV-LURJTMIESA-N 484.011 4.449 50 10 JIGE CC(C)(C)OC(=O)N1C[C@H](OCCCC(F)(F)C(F)(F)F)[C@H](I)C1 2217219657 LOTBLGRAXBIVEE-ZJUUUORDSA-N 473.220 4.404 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@@H](Cl)CCC12CC2 2227472068 DUBQHYBUCAAIOX-VIFPVBQESA-N 454.533 4.430 50 10 JIGE CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@H](Br)C2CCCC2)[C@@H](C(F)(F)F)C1 2281010796 ZFTNIUJKOGIFTA-MGPQQGTHSA-N 457.331 4.387 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)[C@H](Br)C2CCCC2)C(F)(F)CC1 2284575435 HWCCYLGPLSDOIS-HUUCEWRRSA-N 453.368 4.481 50 10 JIGE O=C(N[C@H](CCBr)COCc1ccccc1)c1ccc(Br)cc1O 2303706713 HMBBHGLNMBYFBY-OAHLLOKOSA-N 457.162 4.255 50 10 JIGE CC(C)(CI)CN1CCCC[C@H](C2CN(C(=O)OC(C)(C)C)C2)C1 2306820376 CZGKAPJIQLAGCS-HNNXBMFYSA-N 450.405 4.417 50 10 JIGE C=CCNC(=O)C(C#N)=C1S[C@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(OC)cc1 2314593356 LRBKVWKSMRERON-HXUWFJFHSA-N 453.951 4.077 50 10 JIGE CCCCCOc1ccc(C=C2C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)cc1OCC 2314617855 BWVHFNODSNRSBY-HXUWFJFHSA-N 452.551 4.426 50 10 JIGE CCCCCCn1c(=O)c(C(=O)NN=Cc2cc(OC)c(OC)cc2OC)c(O)c2ccccc21 2328629234 JQCQEOBVJBUPIN-UHFFFAOYSA-N 481.549 4.077 50 10 JIGE CCS(=O)(=O)C[C@@H](Br)c1c(C)cc(Br)c(OC)c1Br 2339659643 VAOSFBFFVNIMLT-SECBINFHSA-N 479.028 4.399 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1CCS[C@@H](CCBr)C1 2340058558 RRRWKDJVSGBZPN-JTQLQIEISA-N 474.589 4.287 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@H]2CC[C@H]1[C@@H](Cl)C2 2349955218 PFDJMGYMEBZQHS-HJIKLVIJSA-N 454.533 4.286 50 10 JIGE C[C@H](CBr)[C@H]1CCCCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364214941 QMTBOSRJUBMXPE-YLJYHZDGSA-N 499.471 4.058 50 10 JIGE COc1ccc(/C=N/NC(=O)CNc2cc(Br)c(C)c(Br)c2)cc1 3131249 SNGXWTZMRJHHGL-ZVBGSRNCSA-N 455.150 4.091 50 10 JIGE Cc1cc(Br)cc(C)c1OCC(=O)NNC(=O)c1ccc(OCCC(C)C)cc1 14021838 LOAXQSLXCCYCFI-UHFFFAOYSA-N 463.372 4.331 50 10 JIGE COc1cc(Cl)ccc1C(=O)NNC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(Cl)cc1Cl 24627479 PCBCZVRRCAZPKY-QGZVFWFLSA-N 486.783 4.261 50 10 JIGE CCOc1ccc(/C=N\NC(=O)c2cccn(Cc3ccc(Cl)cc3)c2=O)cc1OCC 169920281 ZQFMDUVURBFUHH-YSMPRRRNSA-N 453.926 4.111 50 10 JIGE CCOc1ccc(C(=O)NN=Cc2ccc(OC(=O)c3ccc(OC)cc3)c(OCC)c2)cc1 254826867 ABHXPEFACXQTIZ-UHFFFAOYSA-N 462.502 4.476 50 10 JIGE CC(C)N(CCOCCCl)C(=O)c1cc(Br)ccc1I 312921682 WOEXKGSFFGFMBQ-UHFFFAOYSA-N 474.564 4.160 50 10 JIGE Cc1ccc(N)c([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)c1 382700568 CGMDFWAOIXSQKH-SJLPKXTDSA-N 450.320 4.364 50 10 JIGE Cn1ncc(Br)c1[C@H](Br)c1cc2c(cc1Br)OCC2 710328483 LRPOQGAOBIVJJO-GFCCVEGCSA-N 450.956 4.364 50 10 JIGE CCC[C@@H](Br)CNC(=O)c1ccc(I)c(Br)c1 721594751 RMZXNCDIRXAFKS-SECBINFHSA-N 474.962 4.347 50 10 JIGE Cc1ccsc1C=NNC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 725432336 FPZKHGQQKKIADF-UHFFFAOYSA-N 481.521 4.421 50 10 JIGE CC(CCc1ccccc1)=NNC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1 1084302022 UFZVPBUJQCYISQ-UHFFFAOYSA-N 467.566 4.454 50 10 JIGE CC(=O)N1C[C@H](c2cc(Br)ccc2I)[C@@H](CBr)C1 1614643569 RMYNWKHUKVMCSI-CABZTGNLSA-N 486.973 4.011 50 10 JIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(F)cc2)cc(Br)c1O 1865689851 XQEJJZNTMSTNLC-LJQANCHMSA-N 485.313 4.074 50 10 JIGE COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC(C)C)cc1OC 1865711748 HIDAJCDQPCVQAZ-JOCHJYFZSA-N 460.534 4.450 50 10 JIGE Cc1ccc(/C=C(\C#N)C(=O)N[C@H](CC(=O)OCc2ccccc2)C(=O)OCc2ccccc2)cc1 1866126399 OXGAAJPWRQVDIK-GAZVVYGOSA-N 482.536 4.264 50 10 JIGE COc1cc(/C=N/NC(=O)COc2ccc3c(C)cc(=O)oc3c2)ccc1OCc1ccccc1 1873792608 HYDPNGZMFPKGAV-RWPZCVJISA-N 472.497 4.218 50 10 JIGE Brc1cc(CN2CCC[C@@H](Br)C2)ccc1I 1904338615 MPQNSWJUBZHCBV-SNVBAGLBSA-N 458.963 4.413 50 10 JIGE O=C(N[C@H](CCBr)C(F)F)c1csc(Br)c1Br 1918538955 RDFJPTXPERRLMR-RXMQYKEDSA-N 455.944 4.422 50 10 JIGE CCN(C[C@@](C)(CI)OC1C(F)(F)C1(F)F)C(=O)OC(C)(C)C 1985877548 NTKBAPYNJAWLRG-GFCCVEGCSA-N 455.230 4.107 50 10 JIGE Clc1cc(I)c(I)cc1CBr 2060262361 OKSSGAFYKRGRHK-UHFFFAOYSA-N 457.274 4.444 50 10 JIGE O=C(NC[C@]1(F)CC[C@@H](CBr)CC1)c1sccc1I 2122081383 NYQPGMCVAQOXPE-SWZMTVOYSA-N 460.150 4.376 50 10 JIGE CC[C@H]1CN(C(=O)c2cc(Br)ccc2I)C[C@H]1CCl 2140770187 YZPYNJNYRVPQOD-VHSXEESVSA-N 456.549 4.391 50 10 JIGE O=C(Cc1ccccc1I)NC1(CCBr)CCCCC1 2143873835 WPSFIYVZBYSLIJ-UHFFFAOYSA-N 450.158 4.438 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N[C@@H]2CC[C@H](CBr)C2)cc1Br 2146224115 LNSFHMVORVISLY-VHSXEESVSA-N 490.055 4.362 50 10 JIGE CC1(C)[C@@H](CBr)OCCN1C(=O)c1cc(Br)ccc1Br 2159639036 IHAGDQWYWZFHHA-GFCCVEGCSA-N 469.999 4.226 50 10 JIGE COc1ccc(O[C@@H]2C[C@H](Br)[C@@H]2OCC(C)C)cc1I 2165551387 MITOTKDZQHHZCE-GLQYFDAESA-N 455.130 4.256 50 10 JIGE CC(C)(C)[C@H]1C[C@@H](CBr)CN(C(=O)c2cc(I)sn2)C1 2176540948 XCCMBNABKAVSFQ-UWVGGRQHSA-N 471.202 4.267 50 10 JIGE C[C@H]1CCN(S(=O)(=O)Cc2ccc(CBr)cc2)CCN1Cc1ccccc1 2179787120 KEMNXUNBWRMAQY-SFHVURJKSA-N 451.430 4.008 50 10 JIGE CCN(CC)CCN(Cc1ccccc1)S(=O)(=O)Cc1cccc(CBr)c1 2179789664 UBKMFCABEVAODZ-UHFFFAOYSA-N 453.446 4.255 50 10 JIGE Cc1oc(CBr)cc1S(=O)(=O)N1CCC(CN(C)Cc2ccccc2)CC1 2179814032 XUAPCDOXJRNJAJ-UHFFFAOYSA-N 455.418 4.016 50 10 JIGE O=S(=O)(Cc1ccsc1Br)N(CCBr)Cc1ccsc1 2234491165 UYUCHVXZCRVTQW-UHFFFAOYSA-N 459.250 4.299 50 10 JIGE COCCN(C[C@H](C)Br)C(=O)c1cc(Br)c(Br)s1 2259753457 FJCYMARKQGFPNH-ZETCQYMHSA-N 464.017 4.145 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N[C@H](CCBr)C(F)F 2277929306 UOYICHMQTDJTGJ-SNVBAGLBSA-N 463.942 4.289 50 10 JIGE CC[C@H]1[C@H](Br)CCN1S(=O)(=O)c1cc(Br)c(C)cc1Br 2288910296 PHTAMSAZLJYMNC-SKDRFNHKSA-N 490.055 4.457 50 10 JIGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NC[C@H]2CCCO2)cc1C 2296545435 QHNAWTFRSYYXFQ-XMMPIXPASA-N 456.546 4.449 50 10 JIGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)COc2cc(Cl)ccc2Cl)c(OC)c1 2314729197 YRSIPDTZIOBUFM-UHFFFAOYSA-N 450.274 4.456 50 10 JIGE COc1cc(C=C(C#N)c2ccccc2F)ccc1OC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 2320506580 MPIFGQFQAJBEQQ-UHFFFAOYSA-N 480.517 4.368 50 10 JIGE COc1ccc(-c2ccc(C(=O)NN=Cc3cc(Br)c(O)c(OC)c3)c(C)n2)cc1 2321218582 HHXLRGFPUVCQGC-UHFFFAOYSA-N 470.323 4.306 50 10 JIGE COc1ccc(OC)c(NC(=O)C(C#N)=CNc2ccc(I)cc2C)c1 2325160252 SPPROUTWYSNKMA-UHFFFAOYSA-N 463.275 4.075 50 10 JIGE COc1cc(OC)cc([C@H](C)O[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2I)c1 2339730313 JFFKZCGWODOANS-ZLIFDBKOSA-N 477.339 4.204 50 10 JIGE CC1(C)OCCN(Cc2cc(I)ccc2Cl)[C@@H]1CBr 2352429209 DVUWAEOTXAFCKD-CYBMUJFWSA-N 458.565 4.319 50 10 JIGE ClC[C@@H]1C[C@@H]2OCCN(Cc3ccc(I)c(Br)c3)[C@@H]2C1 2377357339 MWZLFGHRVMUAQE-GLQYFDAESA-N 470.576 4.272 50 10 JIGE Cc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2OCc2ccccc2)cc1Br 14030866 CJUVVWXYRKKOJY-UHFFFAOYSA-N 498.402 4.286 50 10 JIGE COc1cc(C=NNC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 16312469 RJARRDFRRSTOER-UHFFFAOYSA-N 476.489 4.002 50 10 JIGE O=C(COc1ccc(Br)cc1Br)N/N=C/c1ccc(Br)o1 40840475 WZGFTLVKZXUPOP-UBKPWBPPSA-N 480.938 4.096 50 10 JIGE Cc1cc(Br)cc(Br)c1OCC(=O)N/N=C1\CC(=O)CC(C)(C)C1 100055144 FNLOSVMGZDNHIX-UDWIEESQSA-N 460.166 4.150 50 10 JIGE CN(CCCCCBr)S(=O)(=O)c1cc(Br)ccc1Br 227145858 UGQYWIXCDCZXLA-UHFFFAOYSA-N 478.044 4.397 50 10 JIGE COCCOCCCO[C@](C)(CI)c1ccccc1Br 234842332 KTYVZZCCDKHILP-OAHLLOKOSA-N 457.146 4.169 50 10 JIGE C[C@H]1CN(C(=O)c2cc(I)ccc2Br)CC[C@@H]1Br 235666174 LNHWHLUWSIYMBA-KWQFWETISA-N 486.973 4.299 50 10 JIGE COc1ccc(CC(=O)Nc2cccc(C(C)=NNC(=O)c3ccc([N+](=O)[O-])c(C)c3)c2)cc1 252614254 JHSNYAGPNRNUFV-UHFFFAOYSA-N 460.490 4.247 50 10 JIGE Cc1ccccc1NC(=O)C(=O)NN=Cc1ccc(OC(=O)c2cccc3ccccc23)cc1 254317304 JDDCMQNEYVDBPI-UHFFFAOYSA-N 451.482 4.456 50 10 JIGE COc1ccc([C@@H](Br)c2cnn(C)c2I)cc1Br 382231590 YPUPANHVODERES-LLVKDONJSA-N 485.945 4.280 50 10 JIGE CCO[C@@H](CO[C@]1(CI)CCCN(C(=O)OC(C)(C)C)C1)C1CC1 703479109 NOKFZARVKUQUHL-YJBOKZPZSA-N 453.361 4.023 50 10 JIGE Cc1ccc(N(CC(=O)NN=Cc2c(F)cccc2Cl)S(=O)(=O)c2ccccc2)cc1C 725395668 VNRFFATZBRJKQA-UHFFFAOYSA-N 473.957 4.442 50 10 JIGE COc1ccc(C[C@H](NC(=O)NNC(=O)c2ccc(Cl)cc2)c2ccccc2)cc1OC 727604681 DHUSNRSBODDHAQ-FQEVSTJZSA-N 453.926 4.285 50 10 JIGE COc1ccc(C=NNC(=O)c2cccc(NC(=O)c3ccccc3Cl)c2)c(C(=O)O)c1OC 1082753705 ASWPNCSIFKGEAM-UHFFFAOYSA-N 481.892 4.072 50 10 JIGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccccc2C(=O)O)c2ccc(Cl)cc2C)cc1 1083905393 UGJBQTZGVSPEHY-UHFFFAOYSA-N 499.976 4.001 50 10 JIGE COc1ccc(C(C)=NNC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)cc1 1084408103 RYOUDJZJAOQCLI-UHFFFAOYSA-N 456.590 4.167 50 10 JIGE C/C(=C/c1c(Cl)cccc1Cl)C(=O)NNC(=O)c1nn(C(C)C)c(=O)c2ccccc12 1135538724 XQGZEHIDNRKJPD-QBFSEMIESA-N 459.333 4.149 50 10 JIGE Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(C(=O)O)cc1)C(C#N)=C(N)O2 1865708788 GAXTZCSUHQHQGI-IBGZPJMESA-N 455.301 4.463 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(Cl)c2)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1865715116 WNVIMDOGCZRNTR-INIZCTEOSA-N 491.813 4.436 50 10 JIGE CCc1cccc(C)c1N1C[C@@H](C(=O)NNC(=O)c2ccc(-c3ccc(C)c(C)c3)nc2C)CC1=O 1865756182 KSLFUWRUFVJQFV-QHCPKHFHSA-N 484.600 4.359 50 10 JIGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)NNC(=O)c1ccc(F)c([N+](=O)[O-])c1 1865759161 LJZSPKADYADYPR-UHFFFAOYSA-N 463.252 4.486 50 10 JIGE C[C@H]1C[C@H](CBr)CN1C(=O)c1cc(I)ccc1Br 2038890736 NOKXKZZWIUAFEY-DTWKUNHWSA-N 486.973 4.299 50 10 JIGE C[C@@H](CO[C@@]1(CI)CCCN(C(=O)OC(C)(C)C)C1)N1CCCCC1 2066643837 CBGIGRJEZNCLEJ-QFBILLFUSA-N 466.404 4.082 50 10 JIGE O=C(c1csc(I)c1)N1CCC2(CCC2)[C@@H](CBr)C1 2095294987 UKUMFUCBPMZPSI-NSHDSACASA-N 454.171 4.380 50 10 JIGE CN(Cc1ccccc1)[C@@H]1CCN(S(=O)(=O)c2ccc(CCl)cc2Br)C1 2095823851 QZTZIKVMVWUUMK-QGZVFWFLSA-N 457.821 4.083 50 10 JIGE O=C(c1cc(Br)ccc1I)N1[C@H]2CC[C@@H]1C[C@H](Cl)C2 2098696718 AILNTGOONJGODI-JGPRNRPPSA-N 454.533 4.428 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1c(F)cc(Br)cc1F 2125300904 WUPQIELMWWISMQ-UHFFFAOYSA-N 471.389 4.363 50 10 JIGE O=C(N[C@H]1COC2(CCC2)[C@@H]1Br)c1csc(Br)c1Br 2141536443 JBQWMQLVZSOWNF-IONNQARKSA-N 474.012 4.088 50 10 JIGE C[C@]1(CBr)C=CCN1C(=O)c1ccc(Br)cc1I 2221470206 KOGPRWBRWVVDBR-CYBMUJFWSA-N 484.957 4.219 50 10 JIGE CNC(=O)C(C#N)=C1S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(Br)cc1 2293039247 SJXYTMDGBBUKJR-KRWDZBQOSA-N 476.783 4.275 50 10 JIGE O=S1(=O)CCCC[C@@H]1[C@H](Br)c1sc(Cl)cc1I 2301082981 DRDQNAYUPQEBBW-APPZFPTMSA-N 469.591 4.409 50 10 JIGE O=S(=O)(N[C@H](CCBr)COCc1ccccc1)c1ccc(F)cc1Br 2320357004 UYPIONBFTZIBRB-OAHLLOKOSA-N 495.208 4.237 50 10 JIGE CCN(CC)c1ccc(C=NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 2325903228 IDGXEAIOOUPBCR-DLBZAZTESA-N 465.623 4.140 50 10 JIGE CCOc1ccc(C=NNC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1OCC 2328827665 WBZBHNDHSNTYID-FQEVSTJZSA-N 455.555 4.070 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N[C@H]1C[C@@H]2C[C@H]1C[C@@H]2Br 2360163677 LKOHEMFULHBEBX-NUZBWSBOSA-N 466.011 4.432 50 10 JIGE Cc1cc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccc3c(c2)OCO3)c(C)n1-c1ccccc1F 9094194 ADIGUHYCTIHWQL-VCHYOVAHSA-N 461.449 4.051 50 10 JIGE COCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(-c2ccccc2)cc1 14662510 WFWOAMAWKMOTEN-UHFFFAOYSA-N 469.335 4.216 50 10 JIGE COc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1 33467384 YPHJCPDDOCPTFU-ZHZULCJRSA-N 493.928 4.487 50 10 JIGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2)cc(Br)c1OCC 59297246 PEBIPEIPSAAYBH-LICLKQGHSA-N 459.340 4.478 50 10 JIGE CC(C)[C@H](Br)CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 126963032 HBNFZGJARVUNEF-MRVPVSSYSA-N 454.011 4.454 50 10 JIGE COC(=O)[C@@H](Br)CNc1c(Br)cc(Br)cc1Br 232446207 VXKMERCTUUQXHD-QMMMGPOBSA-N 494.803 4.323 50 10 JIGE Cc1ccc(-n2cnc(I)c2I)c(CCl)c1 380884013 GWMNCNRHHHMOQX-UHFFFAOYSA-N 458.468 4.129 50 10 JIGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2ccccc2[N+](=O)[O-])C1 382704453 RIIRDGVCAMNACM-DOTOQJQBSA-N 466.275 4.382 50 10 JIGE O=S(=O)(N[C@H]1CCC[C@H](Br)C1)c1cc(Br)ccc1Br 694496297 JRHPRFCAQSHXLM-WPRPVWTQSA-N 476.028 4.196 50 10 JIGE CSc1ccc(C=NNC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc1 1084472106 MENCQNQNZSMQDC-UHFFFAOYSA-N 471.579 4.202 50 10 JIGE COc1cc([C@H]2CN(Cc3ccccc3)C[C@H]2CI)ccc1[N+](=O)[O-] 1614629508 BREYMVZOKPPVGK-IAGOWNOFSA-N 452.292 4.254 50 10 JIGE CC(=O)c1cc(C(=O)NNC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)cs1 1650686279 MFVXSYUTAKSCQJ-UHFFFAOYSA-N 450.545 4.194 50 10 JIGE O=C(COc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1)Nc1ccccc1Br 1858683849 IBTUUKVHYHXJPD-UHFFFAOYSA-N 487.266 4.381 50 10 JIGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCN3C(=O)c4ccccc4C3=O)n2)c(OC)c1 1872755589 VKWJKJSBWXXVGA-ZZEZOPTASA-N 461.499 4.306 50 10 JIGE C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@H]1C[C@@H](Br)C1 1877387776 GNKMEADEMRUATL-OAGGEKHMSA-N 457.368 4.203 50 10 JIGE CN(CC1CC(Br)C1)[C@@H](CN)c1ccc(Br)c(Br)c1 1887901895 SWBXOEIZJJBPIV-IUVQJJGASA-N 455.032 4.317 50 10 JIGE O=C(N[C@H]1C[C@@H]([C@H](F)CBr)C1)c1cc(Br)ccc1Br 1906432973 BBEUARPJZJTUIY-VFWDIBGWSA-N 457.963 4.453 50 10 JIGE O=C(c1cc(Br)cc(Br)c1)N1C[C@H](Br)[C@@H](Br)C1 2019465568 BNNWNVJHVUEBBA-UWVGGRQHSA-N 490.815 4.194 50 10 JIGE O=C(NC1(CBr)CCC1)c1ccc(Br)cc1I 2026216279 DRWXFPXDAWWLFD-UHFFFAOYSA-N 472.946 4.101 50 10 JIGE O=C(NC[C@@H](CBr)C1CC1)c1ccc(I)c(Br)c1 2029470029 PWIANMLAEJYXES-SNVBAGLBSA-N 486.973 4.205 50 10 JIGE Cc1c(Br)ccc([C@@H](Br)C2(C)CS(=O)(=O)C2)c1Br 2083334571 SOUSUEDIAYXIFV-LLVKDONJSA-N 461.013 4.391 50 10 JIGE C[C@]12CN(C(=O)c3ccc(Br)cc3I)C[C@]1(CCl)C2 2142285542 QPTIHIWHPAZHHJ-UONOGXRCSA-N 454.533 4.145 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1CC[C@H](Br)C2(CC2)C1 2149572773 BWHZVMRALGRMRA-LBPRGKRZSA-N 488.039 4.150 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2C[C@@H](CBr)C[C@@H]2C)cc1Br 2156539692 PEVJQWDPQFZIHJ-VHSXEESVSA-N 490.055 4.314 50 10 JIGE CSC[C@@H]1CCCN(S(=O)(=O)c2cc(CBr)sc2Br)C1 2179792407 FRFGQZCXRUVHKJ-SECBINFHSA-N 463.282 4.169 50 10 JIGE C[C@@H](Br)C[C@H]1COCCN1C(=O)c1cc(Br)cc(Br)c1 2185319802 SJICRXPBWNVCRT-RNCFNFMXSA-N 469.999 4.226 50 10 JIGE C[C@H](Br)Cc1cn(-c2ccc(C(F)(F)F)cc2I)nn1 2204130856 XEIKEFOAGJRZEU-ZETCQYMHSA-N 460.035 4.217 50 10 JIGE CC(C)(CBr)N(Cc1ccccc1)S(=O)(=O)Cc1ncsc1Br 2210632640 FVNBSMMUYFPTJR-UHFFFAOYSA-N 482.263 4.411 50 10 JIGE BrCC12CC(CN1Cc1ccc(I)c(Br)c1)C2 2306224488 QPEQZHZLMLRFDR-UHFFFAOYSA-N 470.974 4.413 50 10 JIGE Cc1cc(Br)c(N2C(=O)NC(=O)C(=Cc3ccc(N(C)CCCl)cc3)C2=O)cc1C 2313548285 RBBULWIDQKPUNM-UHFFFAOYSA-N 490.785 4.407 50 10 JIGE CO[C@@]1(CBr)CCCN(Cc2ccc(Cl)c(I)c2)C1 2337222892 FHMVZRKXUAFDSC-CQSZACIVSA-N 458.565 4.321 50 10 JIGE Cc1ncc(CCl)c(OCc2ccc(I)c(Br)c2)n1 2350073131 KSDPXNOQCDMURE-UHFFFAOYSA-N 453.505 4.470 50 10 JIGE O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(-c2ccc(Br)cc2)o1 3115558 JARIIPIVZHVEFN-BHGWPJFGSA-N 460.715 4.243 50 10 JIGE CC(C)c1ccc(OCC(=O)NNC(=O)COc2ccc3ccccc3c2)c(Br)c1 12580407 HBLSHDQTVNKKMZ-UHFFFAOYSA-N 471.351 4.331 50 10 JIGE O=C(COc1ccc(C=NNC(=O)c2ccccc2Br)cc1)Nc1ccccc1 13108077 RXQHFLZBQNJJLZ-UHFFFAOYSA-N 452.308 4.231 50 10 JIGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)N/N=C/c1cnn(C(C)C)c1 20827478 KQXNRFUGKNZWMC-HDDDNDSPSA-N 487.033 4.138 50 10 JIGE CCCCCOc1ccc(/C=C2/C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)cc1OCC 38608919 VUJITYWCGRMNAC-RCCKNPSSSA-N 468.550 4.200 50 10 JIGE O=S1(=O)CC[C@@H](C(CBr)(CBr)Cc2cccc(Br)c2)C1 118875416 CTJNBDMDNMLRMR-GFCCVEGCSA-N 489.067 4.203 50 10 JIGE Cc1c(C=NNC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)c2ccccc2n1C 254507263 IAIIJPSOCHQXAB-DBPCCWQVSA-N 479.584 4.474 50 10 JIGE COc1cc(C=NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1O 254792759 ZCACIOQIVVGUJP-VIFPVBQESA-N 462.127 4.388 50 10 JIGE C[C@@H]1C[C@H](CBr)CN(C(=O)c2ccc(I)c(Cl)c2)C1 398798601 MACRJMIHCYGDBI-NXEZZACHSA-N 456.549 4.438 50 10 JIGE C[C@H](CBr)[C@@H]1CCCCN1C(=O)c1ccc(I)c(O)c1 696715771 ZKKVZUZBFDNLOX-MFKMUULPSA-N 452.130 4.023 50 10 JIGE CCOC(=O)c1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2)CCC3)cc1 1772744997 PZPZENPJPUPXPI-UHFFFAOYSA-N 459.502 4.487 50 10 JIGE Cc1c(C(=O)Nc2ccccc2Br)oc2c1C(=NNC(=O)c1cccnc1)CCC2 1772745570 FIRKVBRKPAKGJG-UHFFFAOYSA-N 467.323 4.468 50 10 JIGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(OC)cc2)cc1OCC 1865688861 CTONBNAUWWJGON-QHCPKHFHSA-N 460.534 4.459 50 10 JIGE N#CSc1ccc(NC(=O)[C@H](CO)NC(=O)CC(c2ccc(F)cc2)c2ccc(F)cc2)cc1 1866755200 CFCHXMDZYDVLRL-QHCPKHFHSA-N 481.524 4.176 50 10 JIGE C=C(CBr)CCNS(=O)(=O)c1cc(Br)c(C)cc1Br 1887847114 WQIRLCYHNYRRMN-UHFFFAOYSA-N 476.028 4.140 50 10 JIGE O=S(=O)(C1CC(OCc2ccccc2)C1)N(CCCBr)Cc1ccccc1 1954526995 PIIOZUPXDUFEHE-UHFFFAOYSA-N 452.414 4.351 50 10 JIGE Brc1cc(I)cnc1N1C[C@@H](Br)CC2(CC2)C1 2015767687 SJSSHSFWFKNIDT-QMMMGPOBSA-N 471.962 4.203 50 10 JIGE CC(C)(C)OC(=O)N1CCC(CI)(O[C@@H]2COC3(CCCC3)C2)CC1 2069127823 LCVMCUMILZNRSB-HNNXBMFYSA-N 465.372 4.309 50 10 JIGE CC[C@H](C)[C@@H](CI)NC(=O)c1ccc(I)c(C)c1 2086031078 WJUFUTSISQDAFQ-TVQRCGJNSA-N 471.120 4.179 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1C[C@H]2[C@H](Br)CC[C@H]2C1 2087938760 ZJPULLNTTIFURM-HBNTYKKESA-N 454.533 4.190 50 10 JIGE O=S(=O)(NC1CC(CCBr)C1)c1cc(Br)ccc1Br 2090480121 YDBURIDJNZWHRE-UHFFFAOYSA-N 476.028 4.054 50 10 JIGE C[C@]12CN(C(=O)c3cc(Br)ccc3Br)C[C@]1(CBr)C2 2109182618 MZTNDFLUUFVPTG-UONOGXRCSA-N 451.984 4.459 50 10 JIGE O=C1Cc2cc([C@H](Cl)c3cc(I)sn3)c(Br)cc2N1 2120031553 JLBJJSTZMJRUIC-LBPRGKRZSA-N 469.529 4.333 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CC[C@@H](Cl)[C@@H]1C1CC1 2142279965 XGJOZAUGJNJWJT-YPMHNXCESA-N 454.533 4.286 50 10 JIGE O=C(Cc1ccccc1I)N(CCBr)C1CCCCC1 2143869079 VUUZXVDCSOEGTM-UHFFFAOYSA-N 450.158 4.390 50 10 JIGE CC1(C)CCN(C(=O)c2cc(I)ccc2F)C[C@H]1CBr 2169662713 FMWNJIHRSYTAMK-SNVBAGLBSA-N 454.121 4.314 50 10 JIGE Cc1oc(C)c(S(=O)(=O)N2CC3(CC(OCc4ccccc4)C3)C2)c1CBr 2179776894 XXQVRBWZPUULEX-UHFFFAOYSA-N 454.386 4.161 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1CC[C@@H](Br)[C@H]1C1CC1 2187153269 HSPNFAHQICAYRJ-DGCLKSJQSA-N 488.039 4.148 50 10 JIGE BrC[C@]12CCO[C@@H]1CN(Cc1c(Br)cccc1Br)C2 2278926057 VPYHCEWVGYNYAU-KGLIPLIRSA-N 454.000 4.197 50 10 JIGE COc1cc(Br)c(C=C(C#N)c2nn(-c3ccccc3)c(N)c2C#N)cc1OC 2296412362 JIDOTIZYMIYDSG-UHFFFAOYSA-N 450.296 4.170 50 10 JIGE CCCCOCCCNC=C(C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324599141 DMAIFTUAIZOMQL-UHFFFAOYSA-N 460.622 4.124 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1CCC2CC1(CBr)C2 2361696029 SVMJYHAGNZLTTR-UHFFFAOYSA-N 488.039 4.150 50 10 JIGE Clc1ccc(CN2C[C@H](CBr)OC3(CCC3)C2)c(I)c1 2366700373 WYQZOOQFDWODLI-ZDUSSCGKSA-N 470.576 4.463 50 10 JIGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc32)c1 38684880 WJPQBBOZNGCEGJ-QHCPKHFHSA-N 457.442 4.431 50 10 JIGE COc1cc([C@@H]2C(C#N)=C(N)N3C(=S)N(c4ccccc4)C(=O)[C@@H]23)ccc1OCc1ccccc1 39793522 LHYDBEOANXEHOK-DNQXCXABSA-N 482.565 4.068 50 10 JIGE Cc1c(C(=O)N2CCCCCC2)oc2c1/C(=N/NC(=O)c1cncc(Br)c1)CCC2 40823026 WQQCCSOZDDOTNN-KOEQRZSOSA-N 473.371 4.232 50 10 JIGE CCCCNS(=O)(=O)c1ccc(/C(C)=N\NC(=O)CSc2ccc(Cl)cc2)cc1 59415629 OAYSEJOPRUMQQN-HAHDFKILSA-N 454.017 4.051 50 10 JIGE Cc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)NNC(=O)c3cccc(Cl)c3)c(C)c21 101594016 BWKRTQPDNYIDKE-ZXVVBBHZSA-N 478.936 4.095 50 10 JIGE C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C\c2ccc(OCC)c(OCC)c2)c(OC)c1 103746657 DRKBCESCRAIWLJ-VWDAIKGWSA-N 476.529 4.321 50 10 JIGE O=S(=O)(NCC1(CBr)CCCC1)c1cc(Br)ccc1Br 160425886 BLFKHZAPUQWUJI-UHFFFAOYSA-N 490.055 4.445 50 10 JIGE O=C(NC[C@@H]1CC[C@@H](Br)C1)c1cc(Br)ccc1I 227673011 ZMILHTWONZOWDP-RKDXNWHRSA-N 486.973 4.347 50 10 JIGE C/C(C=NNC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1)=C\c1ccccc1 252590139 APKIAFPJVOZLRK-TVINXZSZSA-N 453.498 4.392 50 10 JIGE CC1(C)CN(S(=O)(=O)c2cc(Br)ccc2Br)C[C@@H]1Br 387872784 KPEJFDKAETVZLI-NSHDSACASA-N 476.028 4.006 50 10 JIGE CC(=O)[C@H](Br)[C@H](C)c1cc(I)cc(I)c1 709822346 YQQQWWPYHYXOIL-KSBSHMNSSA-N 492.920 4.352 50 10 JIGE Cc1nn(-c2cccc([N+](=O)[O-])c2)c(C)c1C=NNC(=O)COc1ccc(Cl)cc1Cl 1084305931 CRIYGMSBWYLLGW-UHFFFAOYSA-N 462.293 4.233 50 10 JIGE C/C(=C\C(=O)NNC(=O)CCCCCNC(=O)OC(C)(C)C)c1ccccc1C(F)(F)F 1147663099 OQDYOEBYUVREFA-CCEZHUSRSA-N 457.493 4.341 50 10 JIGE COc1cc(C=NNC(=O)CSc2nc3ccccc3[nH]2)ccc1OCCc1ccccc1 1772760376 HMANUHHNGLKMKV-UHFFFAOYSA-N 460.559 4.435 50 10 JIGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2)c1 1865691953 FZEHQUACHNIXIH-SFHVURJKSA-N 456.424 4.186 50 10 JIGE CCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3CC)cc1OC 1865691965 GHYFGAYVWHPNEM-QGZVFWFLSA-N 461.360 4.243 50 10 JIGE CC(C)(C)OC(=O)N[C@H](CBr)[C@H]1COC2(CCN(C(=O)OC(C)(C)C)CC2)C1 1885094472 VCIXMIIOBGBELX-HUUCEWRRSA-N 463.413 4.081 50 10 JIGE CN(C[C@@H]1C[C@H]1Br)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 1887909187 ZNNZXIPQUKUQOW-POYBYMJQSA-N 451.995 4.160 50 10 JIGE COc1cc(Br)c(C[C@@H](CBr)NC(=O)OC(C)(C)C)cc1OC 1984039156 GQLVKMFBFJZNGJ-NSHDSACASA-N 453.171 4.297 50 10 JIGE C[C@](CBr)(NC(=O)c1cc(Br)ccc1I)C1CC1 2029955997 BYLQHHOPTTWMBV-CYBMUJFWSA-N 486.973 4.347 50 10 JIGE CC(C)[C@H](Cl)c1cn(-c2cc(I)cc(I)c2)nn1 2057418771 RASLFXRMBZXAQM-LBPRGKRZSA-N 487.510 4.412 50 10 JIGE CCc1cc(I)c(I)cc1CBr 2060220874 GKLBNLGYNDZMFX-UHFFFAOYSA-N 450.883 4.353 50 10 JIGE COc1nc(C)ccc1-n1nc(CBr)c(I)c1C(F)(F)F 2078932161 BUGNFZVQHOXKDZ-UHFFFAOYSA-N 476.034 4.103 50 10 JIGE CC[C@@H](C)[C@@H](CI)NC(=O)c1cccc(F)c1I 2081239508 SVTPWWBSMOYEGM-LDYMZIIASA-N 475.083 4.010 50 10 JIGE O=C(NC[C@]1(F)C[C@H](CCl)C1)c1cc(I)ccc1Br 2112253990 MTJLWHVTNQAGQL-XCSCGOTBSA-N 460.512 4.141 50 10 JIGE O=C(NC[C@@H](Br)CBr)c1ccc(Br)c(C(F)(F)F)c1 2116370084 XTJVEYGYDXPTQJ-ZETCQYMHSA-N 467.905 4.356 50 10 JIGE CN(C)C[C@H]1C[C@H](Br)CN1Cc1ccc(Br)cc1Br 2122394528 XFXQAIZFYUBSNF-QWHCGFSZSA-N 455.032 4.111 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CC[C@]12C[C@@H](CCl)C2 2125771476 JGBVYFRPBFOYDI-KMHCFJFGSA-N 454.533 4.287 50 10 JIGE C=CC[C@@](C)(CBr)CNS(=O)(=O)c1cc(Cl)c(Br)s1 2137391325 MOLCHHMRMDNBTA-NSHDSACASA-N 451.633 4.420 50 10 JIGE C#CC[C@](C)(CBr)CNC(=O)c1ccc(Br)cc1I 2142280928 KMCFUXGUXJUERK-CQSZACIVSA-N 498.984 4.208 50 10 JIGE CC1(C)CN(S(=O)(=O)c2ccc(Br)c(CCl)c2)CCN1Cc1ccccc1 2144828894 HDEKOVGFOWXKTC-UHFFFAOYSA-N 471.848 4.473 50 10 JIGE O=C(c1cccc(F)c1I)N1CC2(CCC2)C[C@@H]1CBr 2151519572 ZSKXDSYLLNJPIT-SNVBAGLBSA-N 452.105 4.210 50 10 JIGE Cc1ccc(CBr)cc1S(=O)(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C 2179788184 ZDPFGJJWLGQGAH-SFHVURJKSA-N 451.430 4.175 50 10 JIGE Cc1ccc(S(=O)(=O)N(C)[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)cc1CBr 2179791354 QAOMLCREHHDPPC-YLJYHZDGSA-N 451.430 4.173 50 10 JIGE O=C(N[C@H]1C[C@H]2CC[C@H]1[C@@H](Br)C2)c1cccc(F)c1I 2204574505 MSVCFSJWEWGYHH-PZEZNAACSA-N 452.105 4.112 50 10 JIGE Cc1ccc(C(=O)N2CC[C@@H](C(F)(F)CBr)C2)cc1I 2232843798 SPGQRPSPPGUPCS-LLVKDONJSA-N 458.084 4.092 50 10 JIGE O=C(N[C@@H](CCBr)C(F)F)c1ccc(Cl)c(I)c1 2256386288 BOQWLTCJQPQHLD-VIFPVBQESA-N 452.464 4.093 50 10 JIGE CNC(=O)C(C#N)=C1S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(F)cc1 2296835006 MAIVRDMLPXYZLE-KRWDZBQOSA-N 450.322 4.305 50 10 JIGE COCCCN1C(=O)C(=Cc2ccc(OCc3ccc(C)cc3)c(OC)c2)C(C)=C(C#N)C1=O 2314619110 ZUUACVKMFNYATA-UHFFFAOYSA-N 460.530 4.211 50 10 JIGE CCOc1ccc(C=C(C#N)C(=O)Oc2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1OC 2314770798 MMWSNHUQEVQJER-UHFFFAOYSA-N 468.465 4.407 50 10 JIGE CC(C)(C)OC(=O)N1C[C@H](I)[C@@H](O[C@@H]2CCCCC23CCOCC3)C1 2319694026 UVYVWRCTERBSNH-HRCADAONSA-N 465.372 4.165 50 10 JIGE Cc1ccc(C)c(O[C@H](C)C(=O)NNC(=O)COc2ccc3ccccc3c2Br)c1 14008497 CFSCAJFMSPBANE-MRXNPFEDSA-N 471.351 4.213 50 10 JIGE C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)c1ccccc1I 14038524 WULJBGNFOGNYJP-OAHLLOKOSA-N 486.309 4.187 50 10 JIGE CC(C)c1ccc(OCC(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Br)cc1 14644193 CBXTZJCYVWBNFQ-ZDUSSCGKSA-N 469.763 4.220 50 10 JIGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCC#N 59335613 BGLCBKLXYKGZRQ-YBEGLDIGSA-N 487.297 4.446 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N[C@@H](CBr)C(C)C)cc1Br 136668796 WCVWLMUYKGQWQI-NSHDSACASA-N 478.044 4.218 50 10 JIGE COc1cccc(C=NNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1OCc1cccc(C)c1 252621091 MSPGNEXRFCLAMK-UHFFFAOYSA-N 464.434 4.163 50 10 JIGE CC(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)c2ccc(Br)o2)cc1 252626943 RITQIXDLUYCXJN-UHFFFAOYSA-N 485.294 4.286 50 10 JIGE O=C(NN=Cc1ccc(OC(=O)c2cccc3ccccc23)c([N+](=O)[O-])c1)c1ccccc1O 254386202 CSRNVQWHTCBPKL-UHFFFAOYSA-N 455.426 4.437 50 10 JIGE CN1C[C@@H](CBr)[C@@H](c2cc(Br)ccc2I)C1 382735185 WPSVTOUBASJVCI-KCJUWKMLSA-N 458.963 4.094 50 10 JIGE O=C(c1cc(Br)sc1Br)N1CCSC[C@H]1CBr 388197065 RPKKTGGPVQUJQN-ZCFIWIBFSA-N 464.042 4.226 50 10 JIGE CC(=NNC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1O)[C@@H]1C[C@H]1c1ccccc1Cl 920372995 LZDAFTHHEMKDPT-SFTDATJTSA-N 498.004 4.434 50 10 JIGE C=CCN1C(=O)C(=NNC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)c2ccccc21 1084407624 XGMJMHOWAXYSCE-UHFFFAOYSA-N 453.542 4.444 50 10 JIGE C=C(Cl)C[C@@H](NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(OC)cc2)c1C)C(=O)OCC 1544338476 GWJSRCXMROHDFY-DUBROFONSA-N 455.942 4.200 50 10 JIGE COc1cc(C=NNC(=O)CNc2ccc(C)c(C)c2)c([N+](=O)[O-])cc1OCc1ccccc1 1565518985 XARIERHYPJLQOG-UHFFFAOYSA-N 462.506 4.361 50 10 JIGE Cc1c(C(=O)NC2CC(C)(C)NC(C)(C)C2)oc2c1C(=NNC(=O)c1ccccc1F)CCC2 1772743995 NWNKSEIYMYFYRM-UHFFFAOYSA-N 468.573 4.237 50 10 JIGE COc1ccc(CCNC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccs2)CCC3)cc1OC 1772749340 LLNQCCPTQZGLHI-UHFFFAOYSA-N 481.574 4.110 50 10 JIGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@H](c2ccc(O)c(O)c2)C(C#N)=C(N)O3)cc1 1865680296 GKZYUWIFPRXZTG-HSZRJFAPSA-N 466.497 4.236 50 10 JIGE N#C/C(=C\c1ccc(Br)cc1)C(=O)Nc1ccc(I)cc1C(=O)O 1866128915 SGPWARBWHXUDMP-YRNVUSSQSA-N 497.086 4.298 50 10 JIGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)c2cc(C3CC3)on2)cc1 1867149615 AZVOTSSQRQDTNS-LJQANCHMSA-N 450.495 4.244 50 10 JIGE CC(C)(C)OC(=O)N[C@H](C[S@@](C)(=O)=NC[C@H](Br)C(F)(F)F)C(C)(C)C 2044705947 PJYPCSKHCPUIAR-BTZQTZEISA-N 453.365 4.349 50 10 JIGE CC1(C)CN(C(=O)c2ccc(Br)cc2I)C[C@@H]1Br 2086148593 CUDFRPJQGNURFM-NSHDSACASA-N 486.973 4.299 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1C[C@@H]2CC[C@@H](Br)[C@H]2C1 2087938350 WSHVWXNSUHIWEK-KPXOXKRLSA-N 454.533 4.190 50 10 JIGE O=S1(=O)CC[C@@H]([C@H](CBr)Cc2ccc(Br)cc2Br)C1 2092260703 JSJTZBIEXAQIAC-MNOVXSKESA-N 475.040 4.200 50 10 JIGE COCCN(C)C[C@H](Br)CCc1cccc(Br)c1Br 2099440709 FUJKOJSCMTUZMM-GFCCVEGCSA-N 458.032 4.486 50 10 JIGE C#CC[C@@](C)(CBr)CNC(=O)c1ccc(Br)cc1Br 2140711449 AMXLPERDUPHBTK-AWEZNQCLSA-N 451.984 4.366 50 10 JIGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)Nc1cccc(CCCBr)c1 2145939923 USPZWQNHFKOXFA-UHFFFAOYSA-N 493.423 4.222 50 10 JIGE CC[C@]1(CBr)COCCN1C(=O)c1c(Br)cccc1Br 2169028898 NNKZFAZYKCXYLT-AWEZNQCLSA-N 469.999 4.228 50 10 JIGE CC1(C)CO[C@H](CO[C@H](CI)c2ccccc2Br)CO1 2179852047 QZDBEYNSTDRYOX-BXUZGUMPSA-N 455.130 4.136 50 10 JIGE O=S(=O)(c1cc(CBr)ccc1Cl)N1C[C@@H]2[C@H](CCN2Cc2ccccc2)C1 2188883032 GHDSLCRXLBGOPT-IEBWSBKVSA-N 469.832 4.130 50 10 JIGE O=C(N[C@@H](CBr)[C@H]1CC=CCC1)c1cccc(F)c1I 2196161331 WZILNVBSCSTDTF-GWCFXTLKSA-N 452.105 4.280 50 10 JIGE COc1cc(OC)c([C@H](Br)c2cnn(C)c2I)cc1Cl 2279137416 OLHMIKRSGUEAAB-LBPRGKRZSA-N 471.520 4.180 50 10 JIGE O=C(N[C@@H](CBr)[C@@H]1CC=CCC1)c1c(F)cccc1I 2282768810 ZSYDFSRMJCGLGQ-MFKMUULPSA-N 452.105 4.280 50 10 JIGE CCn1c(SCC(=O)NN=CC=Cc2ccccc2[N+](=O)[O-])nnc1-c1ccc(Cl)cc1 2293704372 FDSNWWPBYPCULR-UHFFFAOYSA-N 470.942 4.434 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)NC1CC([C@@H](F)CBr)C1 2295311975 RIPZUMORYIGVAQ-LDUAJXOISA-N 471.990 4.382 50 10 JIGE CCN(C[C@@](C)(CI)O[C@@H]1CCN2CCC[C@@H]2C1)C(=O)OC(C)(C)C 2311405207 MMBGVYAPJCVDJI-GPMSIDNRSA-N 466.404 4.081 50 10 JIGE C=C[C@]1(CBr)COCCN1Cc1ccc(Cl)c(I)c1 2337218593 KHSJGLAEELCCLA-AWEZNQCLSA-N 456.549 4.097 50 10 JIGE COCCN(C)C[C@@H](Br)CCc1cc(I)ccc1Cl 2352416099 QLTAQTAVINIHBO-LBPRGKRZSA-N 460.581 4.219 50 10 JIGE CCN1CCC[C@@H]([C@@H](Br)c2ccc(Cl)cc2I)S1(=O)=O 2365558661 KHICASOTVNHIEB-STQMWFEESA-N 492.604 4.195 50 10 JIGE CC[C@@H](Oc1ccc(C)cc1)C(=O)NNC(=O)COc1ccc2ccccc2c1Br 14013808 NNXUNGULGQXQHC-LJQANCHMSA-N 471.351 4.295 50 10 JIGE COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cccs1)S(=O)(=O)c1ccc(C)cc1 20059165 JYOVVHYIDDSYOH-YDZHTSKRSA-N 477.995 4.064 50 10 JIGE COc1cc(/C=C(\C#N)c2nc(O)c3ccccc3n2)ccc1OCC(=O)Nc1ccccc1 34988293 PBDMEOBANFTLJY-QGOAFFKASA-N 452.470 4.426 50 10 JIGE COc1cc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(N)=O)cc2OC)ccc1OCCC(C)C 40999880 MCGWOXICRXSDSB-ADCWSOHQSA-N 464.518 4.140 50 10 JIGE CC1(C)O[C@@H]2[C@H](O1)[C@H](n1ccc3c(Cl)nc(N)nc31)O[C@@H]2CO[Si](C)(C)C(C)(C)C 198122551 WXKYMEIKPSQDLH-XJIUQZFPSA-N 455.031 4.106 50 10 JIGE in-vitro COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)/C2=C(\C)NNC(=O)c2ccccc2)cc1 205963756 REJRDGCAQWPEGJ-CJLVFECKSA-N 483.553 4.264 50 10 JIGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)NN=Cc1ccc(F)cc1 252597901 CVXSYIFTYGMRJQ-OAHLLOKOSA-N 472.977 4.500 50 10 JIGE O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)NN=Cc1cccc(Oc2ccccc2)c1 254306216 GQASDWAXZYCOFN-UHFFFAOYSA-N 458.543 4.279 50 10 JIGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNC(=O)c3cccc4ccccc34)cc2)cc1 254401831 XRXFOJBFFKEGJY-UHFFFAOYSA-N 495.535 4.338 50 10 JIGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccccc3OCC)cc2OC)cc1 254824547 YWTHPLXVOIYBNQ-UHFFFAOYSA-N 462.502 4.476 50 10 JIGE CC(C)c1cc(CCl)cc(-n2cnc(I)c2I)n1 302472676 RDHFZQKDMXKKLA-UHFFFAOYSA-N 487.510 4.339 50 10 JIGE N#C[C@@H](Cl)COc1c(I)cc(Cl)cc1I 308968641 NZGAHZFUFAOFGD-ZCFIWIBFSA-N 467.859 4.059 50 10 JIGE CC1(C)CN(Cc2ccccc2)CC[C@@H]1NS(=O)(=O)c1ccc(CBr)cc1 390492183 OEYDRLWQIOEDLW-FQEVSTJZSA-N 451.430 4.161 50 10 JIGE O=C(c1scc(Br)c1Br)N1CCS[C@H](CBr)C1 720049785 SOTGKXTYRFZQCH-ZCFIWIBFSA-N 464.042 4.226 50 10 JIGE CC1(C)CN(C(=O)c2ccc(I)c(Br)c2)C[C@H]1Br 721577219 JKXBTGSYKNWABM-LLVKDONJSA-N 486.973 4.299 50 10 JIGE COc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2CI)cc1[N+](=O)[O-] 1614615274 PCLFPGMXFXLCRF-SJORKVTESA-N 452.292 4.254 50 10 JIGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@@H](c2cc([N+](=O)[O-])ccc2F)C1 1614688648 DDQBVUSEJWYPRB-MFKMUULPSA-N 450.248 4.119 50 10 JIGE COc1cccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2ccc([N+](=O)[O-])cc2)CCC3)c1 1772747175 MBIZWXZQTVLFBB-UHFFFAOYSA-N 476.489 4.156 50 10 JIGE CCOc1ccc(Br)cc1C=NNC(=O)COc1ccc(Br)c(C)c1 1772754076 OLXCGASBQWLTSC-UHFFFAOYSA-N 470.161 4.448 50 10 JIGE C[C@H]1[C@H](Br)CCN1C(=O)c1cc(I)ccc1Br 1914448216 LESHGURJCBKFIA-OIBJUYFYSA-N 472.946 4.052 50 10 JIGE CN(C[C@H]1C[C@H](Br)C1)C(=O)c1ccc(I)c(Br)c1 2076220307 KMAVCFDSUKWXQS-CZMCAQCFSA-N 486.973 4.299 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@H]2C[C@H]1CC[C@H]2Cl 2088642957 CBHUFZVWGHYOBM-HLUHBDAQSA-N 454.533 4.286 50 10 JIGE O=C(c1cc(Br)cc(Br)c1)N1CC[C@@H]2[C@H](CBr)[C@H]2C1 2093136964 GPNOWVBZTFOHMS-AGIUHOORSA-N 451.984 4.315 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1[C@H]2CC[C@@H]1C[C@@H](Br)C2 2098698632 JRLOCVYGIGMSFO-UIKWRGBMSA-N 454.533 4.475 50 10 JIGE COC[C@](C)(CCBr)NC(=O)c1cccc(Br)c1Br 2101772883 AEOJIGXVXIXTSY-ZDUSSCGKSA-N 457.988 4.132 50 10 JIGE CS(=O)(=O)c1csc([C@H](Br)c2cc(I)ccc2F)c1 2113350224 BMMZQXJEZORIGJ-GFCCVEGCSA-N 475.142 4.380 50 10 JIGE BrC[C@@H]1CO[C@H]2CN(Cc3c(Br)cccc3Br)C[C@H]12 2121594688 URCMZECVNJKADT-RULNRJAQSA-N 454.000 4.053 50 10 JIGE O=S(=O)(c1ccc(CBr)c(Cl)c1)N1CC[C@@H](COCc2ccccc2)C1 2123201288 UWYYWXQTDWNNGW-MRXNPFEDSA-N 458.805 4.462 50 10 JIGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1CC=C(CBr)CC1 2171016591 QHQWILDWPDEBHH-UHFFFAOYSA-N 464.006 4.472 50 10 JIGE Cc1ccc(CBr)cc1S(=O)(=O)N1CCCN(Cc2ccccc2)CCC1 2179787968 WBJWSNIRRFHDAQ-UHFFFAOYSA-N 451.430 4.177 50 10 JIGE O=S(=O)(c1ccc(CBr)s1)N1CCC2(CCN(Cc3ccccc3)C2)CC1 2179813186 VDZIBIJHSDQVSC-UHFFFAOYSA-N 469.470 4.320 50 10 JIGE CCc1ccc(CBr)cc1S(=O)(=O)N1CC[C@@H](COCc2ccccc2)C1 2179853727 LLXNFHYCWUEVBX-LJQANCHMSA-N 452.414 4.371 50 10 JIGE O=S(=O)(c1cc(CBr)ccc1Cl)N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 2188883033 GHDSLCRXLBGOPT-MJGOQNOKSA-N 469.832 4.130 50 10 JIGE O=C(C=Cc1ccccc1Cl)NC(=S)NNC(=O)c1ccccc1OCc1ccccc1 2313752883 ZYXBESZNNMDNPZ-UHFFFAOYSA-N 465.962 4.268 50 10 JIGE O=C(c1c(Br)cccc1Br)N1C[C@H]2C[C@@H](CBr)[C@H]2C1 2330495840 PRXBARRQIUZWAM-IVZWLZJFSA-N 451.984 4.315 50 10 JIGE Cn1cnc(Br)c1[C@@H](Br)c1cc2c(cc1Br)OCC2 2337330792 TVKFSLBFUVKDHN-NSHDSACASA-N 450.956 4.364 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1C[C@H]2CC[C@H]1[C@@H](Br)C2 2349957908 WIGQHOSVGREKSM-QWRKXWFKSA-N 454.533 4.333 50 10 JIGE COc1cc(NC(=O)COC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(F)cc3)c2C)cc(OC)c1 11459436 AUFOXPOYIZFJQI-VXLYETTFSA-N 477.492 4.339 50 10 JIGE O=C(Cc1cccc2ccccc12)NNC(=S)NC(=O)c1ccccc1OCCOc1ccccc1 14040773 UBSQAEVJMWMDGQ-UHFFFAOYSA-N 499.592 4.176 50 10 JIGE CCOC(=O)/C(C#N)=C1\C(=O)N2c3c(cc(OC(=O)c4ccccc4OC)cc31)C(C)=CC2(C)C 33351308 BDVLQLUSLUWCHZ-XDOYNYLZSA-N 472.497 4.297 50 10 JIGE Cc1ccc2cccc(Oc3ncnc(NNC(=O)c4cccc(Cl)c4)c3[N+](=O)[O-])c2n1 40618661 FCAFXLSOIWOQOQ-UHFFFAOYSA-N 450.842 4.444 50 10 JIGE COc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)Nc3ccc4c(c3)OCO4)c(C)c21 40813140 JTXCWFYKUHQBLQ-WPWMEQJKSA-N 461.474 4.048 50 10 JIGE COc1ccc(NC(=O)C(=O)N/N=C/c2c(OC(=O)c3ccccc3)ccc3ccccc23)cc1 48572362 NDLJCHSSVCRZFI-OGLMXYFKSA-N 467.481 4.156 50 10 JIGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\Nc3cccc(Cl)c3)C2=O)cc1OC 101232660 ATOFVRNDDCDMHY-XSFVSMFZSA-N 451.910 4.105 50 10 JIGE CC1CCC(CBr)(NC(=O)c2ccc(I)c(O)c2)CC1 232805051 FTUCISMNWGYFSN-UHFFFAOYSA-N 452.130 4.070 50 10 JIGE C[C@H](CBr)[C@H](C)NC(=O)c1cc(Br)ccc1I 235422400 QZVKECWWSQHVML-SFYZADRCSA-N 474.962 4.203 50 10 JIGE C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)NN=Cc1cccc(Cl)c1 252627014 RKFNBRWOKVFOFV-UHFFFAOYSA-N 454.987 4.280 50 10 JIGE Cc1cccc(NC(=O)C(=O)NN=Cc2c(OC(=O)c3ccccc3)ccc3ccccc23)c1 254703046 MEGXQMFKNLAQEF-UHFFFAOYSA-N 451.482 4.456 50 10 JIGE O=C(NC[C@@]1(CBr)CCCOC1)c1ccc(Br)cc1Br 700911223 MKDPCSKKAJMNGQ-AWEZNQCLSA-N 469.999 4.133 50 10 JIGE C[C@@H]1[C@H](CBr)CCN1C(=O)c1ccc(I)c(Br)c1 721577651 KQSNIERZEGWXSI-SCZZXKLOSA-N 486.973 4.299 50 10 JIGE O=C(Cn1ncc2ccccc21)NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 730448035 KLDRFOJRRYSXJD-UHFFFAOYSA-N 450.951 4.443 50 10 JIGE CC(=NNC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccccc1)c1ccc(F)cc1 1083989869 ZNPMZHMRNNUWLQ-UHFFFAOYSA-N 453.539 4.178 50 10 JIGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccccc2OCc2ccc(C(=O)O)cc2)cc1 1084438727 VFSIKHYOTRTZGV-XMMPIXPASA-N 476.529 4.326 50 10 JIGE O=C(NN=Cc1cc(Br)c(I)o1)Nc1cccc(Cl)c1 1084481392 MDIJBKDOFNBBFY-UHFFFAOYSA-N 468.476 4.456 50 10 JIGE COc1cc(C=NNC(=O)c2ccccc2NC(=O)c2ccccc2C)cc(Br)c1O 1084502718 HQCOIZMJKGHJMA-UHFFFAOYSA-N 482.334 4.488 50 10 JIGE COc1ccc(CCNC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2F)CCC3)cc1OC 1772743832 JWWIFDULRUYGDT-UHFFFAOYSA-N 493.535 4.187 50 10 JIGE COc1ccc(NC(=O)COc2cccnc2NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1Cl 1858682866 OGGXENMFWBKSSN-UHFFFAOYSA-N 472.841 4.280 50 10 JIGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@H](c2ccc(N(C)C)cc2)C(C#N)=C(N)O3)cc1 1865683696 NDOUBDMBTYTGQB-HSZRJFAPSA-N 464.529 4.227 50 10 JIGE CCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1cccc(OC)c1OC)C(C#N)=C(N)O2 1865701402 UWQCTZOONPDGLX-FQEVSTJZSA-N 450.926 4.383 50 10 JIGE N#C/C(=C\c1cccc(F)c1)C(=O)N[C@H](CC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 1866129472 VPBDVQNLIVPEFN-AQIZGWBQSA-N 486.499 4.094 50 10 JIGE O=C(NNc1ccccn1)[C@H]1CCCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 1873777739 QPXWEBGFQBMXBL-LBPRGKRZSA-N 460.378 4.115 50 10 JIGE CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1 1873795275 VWROPKQMZCAJAY-PSZYXBCASA-N 482.581 4.094 50 10 JIGE CN(C[C@H](Cl)COCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1F 1916333901 ZUDYLFFIZZSGQL-HNNXBMFYSA-N 450.757 4.033 50 10 JIGE Cc1ccc(-n2nc(CBr)c(I)c2C(F)(F)F)cc1O 2079250268 CWSGFBBMQGTEMN-UHFFFAOYSA-N 461.019 4.405 50 10 JIGE CC[C@@H](Br)CN(CC)S(=O)(=O)c1cc(Br)ccc1Br 2106616804 YSKSQJTYVOTPEZ-SECBINFHSA-N 478.044 4.396 50 10 JIGE C[C@H]1CN(C(=O)c2cc(Br)sc2Br)C[C@@H](CCBr)O1 2122793702 XZOMTXQLWFHOJW-JGVFFNPUSA-N 476.028 4.288 50 10 JIGE C[C@H]1CN(S(=O)(=O)c2ccc(Br)c(CCl)c2)[C@@H](C)CN1Cc1ccccc1 2152184577 MEKZACKQGVIIFV-HOTGVXAUSA-N 471.848 4.471 50 10 JIGE O=S(=O)(c1cc(CBr)c(Cl)cc1Cl)N1CC2(CN(Cc3ccccc3)C2)C1 2179825407 GPPCBRVNANRDDM-UHFFFAOYSA-N 490.250 4.395 50 10 JIGE CC1=C(Br)CN(S(=O)(=O)c2ccc(Br)c(CBr)c2)CC1 2179954361 NBTVFYTWBFKGAB-UHFFFAOYSA-N 488.039 4.407 50 10 JIGE O=S(=O)(c1cc(CBr)ccc1Cl)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 2188883034 GHDSLCRXLBGOPT-PKOBYXMFSA-N 469.832 4.130 50 10 JIGE CC[C@H]1[C@H](Br)CCN1C(=O)c1cc(Br)ccc1I 2260380824 YBQONJAYQDXKTJ-PWSUYJOCSA-N 486.973 4.442 50 10 JIGE Cn1ncc(-n2c(CCl)nc3cc(Br)c(F)cc32)c1I 2280048286 AIKYRSCLLHSQMO-UHFFFAOYSA-N 469.483 4.004 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N[C@@H]1CC[C@H]2C[C@@]21CBr 2295313726 OBXYMEPKUWRNHW-PSOPSSQASA-N 466.011 4.434 50 10 JIGE Cc1ccc(C=C2SC(=S)N(CCC(=O)NNC(=O)c3ccc(Cl)cc3Cl)C2=O)cc1 2296347551 VZOMZTMDQDHYFI-UHFFFAOYSA-N 494.425 4.354 50 10 JIGE COc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1ccc(Br)o1 2314810474 KKGBJSAZJIQWDH-UHFFFAOYSA-N 471.263 4.086 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CC[C@H]2[C@H](CBr)[C@H]2C1 2333351235 URXSJDRPYCZLQB-DLOVCJGASA-N 498.984 4.157 50 10 JIGE CCOc1ccc(/C=C/C(=O)NC(=S)NNC(=O)c2ccc(OCc3ccccc3)cc2)cc1 13621192 QYLMJKFDIANFNY-LICLKQGHSA-N 475.570 4.013 50 10 JIGE COc1ccc(/C(C#N)=C\c2ccc(OC(=O)CCN3C(=O)c4ccccc4C3=O)cc2)cc1OC 31901079 PDOCDQJZJMKJHF-HKWRFOASSA-N 482.492 4.360 50 10 JIGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc32)c1 38659768 OTIBIRYXJYPEJN-HSZRJFAPSA-N 473.441 4.049 50 10 JIGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(F)cc4)ccc32)cc(OC)c1OC 38660463 GQBNDZKPMARWOY-HSZRJFAPSA-N 476.460 4.289 50 10 JIGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cc(C)n(-c3cccc(C(=O)O)c3C)c2C)cc1 58894406 MHMZYSSQBHXCSK-SXFMOBQTSA-N 477.561 4.463 50 10 JIGE CCOC(=O)/C(C#N)=C(/O)c1ccc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc1 106913192 YNPLVKBZCRSFST-BSYVCWPDSA-N 478.505 4.439 50 10 JIGE Cn1ncc([C@@H](Br)Cc2cccc(Br)c2)c1I 379175146 QGFXTNNUAMSLQS-NSHDSACASA-N 469.946 4.466 50 10 JIGE C[C@@H]1[C@@H](CBr)CCN1C(=O)c1ccc(I)c(Br)c1 721577648 KQSNIERZEGWXSI-PSASIEDQSA-N 486.973 4.299 50 10 JIGE Cc1nn(-c2ccccc2)c(C)c1CC(=O)NNC(=O)c1cc(-c2ccccn2)nc2ccccc12 1086897027 LMWKFHYBCUCOLM-UHFFFAOYSA-N 476.540 4.103 50 10 JIGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2cccc(COC3CCCCC3)c2)cc1 1215000814 YHWSIXQOCQPLAC-SFHVURJKSA-N 453.539 4.359 50 10 JIGE CC(=O)c1ccc(Nc2ccccc2C(=O)NNC(=O)c2cc(-c3ccc(C)cc3)[nH]n2)cc1 1464230327 IJRFDEULRODYKC-UHFFFAOYSA-N 453.502 4.406 50 10 JIGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3C)ccc1OC(=O)c1ccc(Cl)cc1Cl 1865705310 RPHXQZJSVOEGCH-FQEVSTJZSA-N 485.327 4.481 50 10 JIGE CCCOc1ccc(/C=N/NC(=O)COc2ccc(C(=O)NC3CCCCC3)cc2)cc1OCC 1873496365 NDAHHQBMXJCKAE-MTDXEUNCSA-N 481.593 4.466 50 10 JIGE CCOC(=O)c1ccc(OC(F)(F)F)c(CBr)c1I 2055267741 KJPPAFDGRFTWNN-UHFFFAOYSA-N 452.992 4.261 50 10 JIGE C[P@]1(=O)C[C@H](Br)[C@H](NC(=O)c2csc(Br)c2Br)C1 2057715284 ATXDTBRRKKGASF-KITDARMDSA-N 479.956 4.142 50 10 JIGE CC(C)[S@](=O)(=NC[C@@H](Br)C(F)(F)F)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2063273277 KWXIHXZKMIIICK-GNDHETMUSA-N 451.349 4.198 50 10 JIGE Cc1cc(Br)c(C(=O)N2C[C@H](Br)[C@@H](Br)C2)cc1Cl 2075319286 LLZHPOCAHDTXRN-UWVGGRQHSA-N 460.391 4.394 50 10 JIGE CN(C[C@H]1C[C@H](Br)C1)[C@@H](CN)c1scc(Br)c1Br 2076250864 QTVWSPHHWYJVSQ-NRPADANISA-N 461.061 4.378 50 10 JIGE Cc1cncc(F)c1-n1nc(CBr)c(I)c1C(F)(F)F 2078915978 NVVGJOLLIDAYFK-UHFFFAOYSA-N 463.998 4.233 50 10 JIGE CC[C@@H](C)[C@H](CI)NC(=O)c1ccc(F)cc1I 2081235431 GBNODZPPKIVJTM-PELKAZGASA-N 475.083 4.010 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CC[C@H](CCBr)C1 2086149583 PLQGSIJWDAXLRV-VIFPVBQESA-N 486.973 4.301 50 10 JIGE CC(C)[C@@H](CBr)CNC(=O)c1ccc(Br)cc1I 2086149864 SYOLQADJQJRDDD-VIFPVBQESA-N 488.989 4.451 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CC[C@H]2[C@H](C1)[C@@H]2CBr 2093138395 SZYCNDYRGYEEOC-JLLWLGSASA-N 498.984 4.157 50 10 JIGE Cn1cc([C@@H](Br)c2cc3c(cc2Br)OCC3)c(Br)n1 2116551105 CJSVSQVTYKTOLJ-LBPRGKRZSA-N 450.956 4.364 50 10 JIGE O=C(c1ccc(F)cc1I)N1CC[C@@H](Br)C(F)(F)CC1 2150019193 PTSFITWLFUYAIE-LLVKDONJSA-N 462.047 4.065 50 10 JIGE O=C(NC[C@H]1CCCC2(CCC2)[C@@H]1Br)c1cc(I)sn1 2176539931 SNBHGACPTFKRRE-BXKDBHETSA-N 469.186 4.211 50 10 JIGE CN(C1CC(C(F)F)C1)S(=O)(=O)c1cc(CBr)sc1Br 2179788638 FPCBNJIKJIWVCL-UHFFFAOYSA-N 453.168 4.070 50 10 JIGE COCCCCN(Cc1ccccc1)S(=O)(=O)c1ccc(F)c(CBr)c1F 2179860361 QMSVYESHJMNADD-UHFFFAOYSA-N 462.356 4.477 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OCC2CC(OC(F)F)C2)C1 2222555456 SJCYKHPJDLWAGE-QWQCLYJRSA-N 475.314 4.226 50 10 JIGE CC(C)(CI)CN1C[C@H]2CC(F)(F)CC[C@@]2(NC(=O)OC(C)(C)C)C1 2326668662 MRGZJWUADPMVNO-CXAGYDPISA-N 472.358 4.462 50 10 JIGE O=C(N[C@H]1C[C@@H](CBr)[C@H]2C[C@@H]12)c1ccc(I)c(Br)c1 2329873394 NEKANHNXQATWRK-WTBMIXGQSA-N 498.984 4.203 50 10 JIGE N#CC(=C(O)CN1C(=O)COc2ccc(Cl)cc21)c1nc(-c2ccc3c(c2)OCO3)cs1 2331334825 MXLBKHKGHAYCDD-UHFFFAOYSA-N 467.890 4.410 50 10 JIGE COc1ccc(CCCCO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2I)cc1 2344004543 VRXADNKYAHUMOW-QZTJIDSGSA-N 475.367 4.457 50 10 JIGE CC(=NNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1)c1cccc([N+](=O)[O-])c1 1477349 YGIPXBUZPUFEGO-UHFFFAOYSA-N 472.530 4.475 50 10 JIGE Cc1ccc(CNC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc([N+](=O)[O-])c2)CCC3)cc1 40812976 PCCVCYIBDIXWCG-NHFJDJAPSA-N 460.490 4.205 50 10 JIGE CCCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(/C=C(\C#N)C(=O)OC)cc2OC)cc1 40864723 FTOCIIYSJGMGSP-AQPIEGPOSA-N 460.486 4.467 50 10 JIGE ClC[Si](O[Si](CCl)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 205971098 FUOHLWNVBDVATF-UHFFFAOYSA-N 479.555 4.079 50 10 JIGE COc1cccc(C=NNC(=O)CN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)S(C)(=O)=O)c1 254440054 KVIUAVHYFOVIAQ-UHFFFAOYSA-N 495.645 4.079 50 10 JIGE O=C(NN=Cc1ccccc1[N+](=O)[O-])c1ccc(CN2c3cccc4cccc(c34)S2(=O)=O)cc1 254760213 TZHXYDKNDMPVPY-UHFFFAOYSA-N 486.509 4.221 50 10 JIGE COc1cc(C=NNC(=O)CSc2nnc(N)s2)ccc1OCc1ccc(Cl)cc1Cl 256028522 SDNCBVBZNNKJMU-UHFFFAOYSA-N 498.417 4.257 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2C[C@H](Br)CC[C@H]2C)cc1Br 399383291 XVYNAKBRSGRYQE-NXEZZACHSA-N 490.055 4.457 50 10 JIGE O=C(N[C@@H](CBr)CC(F)F)c1ccc(I)c(Br)c1 721600353 AHICMJLOPDSIOD-SSDOTTSWSA-N 496.915 4.202 50 10 JIGE C[C@@H]1Cc2cc(/C=C(\C#N)C(=O)Nc3sc4c(c3C(=O)NC[C@H]3CCCO3)CCCC4)ccc2O1 1554493059 LQKWOKJPDFUYIM-ZDMGXWAFSA-N 491.613 4.405 50 10 JIGE Cc1nc(-c2ccc(Cl)cc2)ccc1C(=O)NNC(=O)c1ccc2c(c1)C(=O)N(CC(C)C)C2=O 1865755624 ISVRVURHFZKMDH-UHFFFAOYSA-N 490.947 4.037 50 10 JIGE CC(C)(C)OC(=O)N[C@H](CBr)[C@H]1CN(Cc2ccccc2)C2(CCOCC2)C1 1885093453 NHGIMTVZSZXLOI-RTBURBONSA-N 453.421 4.346 50 10 JIGE CC(C)[C@H](CBr)NC(=O)c1ccc(Br)cc1I 2026217530 LLNXNQIYZWMNEG-NSHDSACASA-N 474.962 4.203 50 10 JIGE O=C(NC[C@@H](NC(=O)c1ccc(CBr)cc1)C(F)(F)F)OCc1ccccc1 2044176224 RSFQBZVOYITAJP-MRXNPFEDSA-N 459.262 4.169 50 10 JIGE Brc1cc(I)cnc1N1C[C@H]2[C@@H](Br)CCC[C@H]2C1 2069533482 IHVGIFPXNSPGHC-GDPRMGEGSA-N 485.989 4.449 50 10 JIGE C[C@H]1C[C@@H](Br)[C@H](C)CN1S(=O)(=O)c1cc(Cl)c(Br)s1 2093114110 GEWLULZXVSHQTP-GJMOJQLCSA-N 451.633 4.347 50 10 JIGE BrCCN1CCCN(Cc2cc(Br)ccc2Br)CC1 2118533996 FGBRZLVRTJUXGM-UHFFFAOYSA-N 455.032 4.114 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CC[C@@H](Cl)[C@@H]1C1CC1 2130607800 PIOPKXDHWYOVIT-YPMHNXCESA-N 454.533 4.286 50 10 JIGE O=S(=O)(C[C@@H](Cl)c1ccc(I)c(Br)c1)N1CCCCC1 2145643042 PHXRIIPBCACVAA-GFCCVEGCSA-N 492.604 4.149 50 10 JIGE CN(Cc1ccccc1)C1CCN(S(=O)(=O)c2cc(F)ccc2CBr)CC1 2179795734 VRFVZHXOMSBNEE-UHFFFAOYSA-N 455.393 4.006 50 10 JIGE O=C(c1cc(Br)c(Br)s1)N1CCO[C@@H]2C[C@@H](CBr)C[C@H]21 2199763931 ZETXBCYHRSQONE-FXBDTBDDSA-N 488.039 4.288 50 10 JIGE Cc1ccc(C(=O)N2CCC(F)(F)[C@H](CBr)C2)cc1I 2232831986 WCRVSEAGSCIPKT-LLVKDONJSA-N 458.084 4.092 50 10 JIGE COc1cc(NC(=O)OCc2ccccc2)c(C(=O)O)cc1OC[C@@H]1C[C@H]1Br 2256378230 AIUXAPGKXGLPOP-DZGCQCFKSA-N 450.285 4.304 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N[C@@H]1CCC[C@H]1CBr 2277936596 NTVHUICTJYUYTQ-GXFFZTMASA-N 454.000 4.434 50 10 JIGE CC(C)(CI)CN1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C(F)(F)F 2306818056 GRJUNPIRLGIWKV-GFCCVEGCSA-N 464.310 4.321 50 10 JIGE COc1ccc(-c2csc(C(C#N)=C(O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n2)c(C)c1C 2331362905 SUCVBDNUCPGYJS-UHFFFAOYSA-N 490.497 4.433 50 10 JIGE COc1c(Br)cc(C)c([C@@H](Br)[C@H](C)S(C)(=O)=O)c1Br 2339640272 WGSQBPOPSSVUND-XVKPBYJWSA-N 479.028 4.398 50 10 JIGE CN(C[C@H](Br)C1CCCC1)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364213378 GSCPWFOEVSPTHH-FQEVSTJZSA-N 499.471 4.058 50 10 JIGE O=C(CSc1nc(=O)c2c(-c3ccc4c(c3)CCCC4)csc2[nH]1)N/N=C/c1ccc(O)cc1 2614500 NVYKNQZOWQVUKE-RPPGKUMJSA-N 490.610 4.478 50 10 JIGE O=C(N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1)C(=O)Nc1ccccc1Cl 13923070 CIJSGYLKSTXCHU-DHRITJCHSA-N 456.285 4.301 50 10 JIGE Cc1cc(C(=O)CO/C(=C(\C#N)c2nnc3n2CCCCC3)C(F)(F)F)c(C)n1C[C@H]1CCCO1 15982097 VKXAGZBBGRBZBS-QGSQVHNNSA-N 491.514 4.298 50 10 JIGE COCCn1c(C)cc(/C=C(/C#N)C(=O)OCC(=O)c2ccc(NC(=O)CC(C)C)cc2)c1C 33499245 JWLGYXXCVYJLBQ-HMAPJEAMSA-N 465.550 4.069 50 10 JIGE COC(=O)C1CCN(C(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc4ccccc24)CCC3)CC1 40813509 KWRSAUUSQXKESB-QUPMIFSKSA-N 487.556 4.237 50 10 JIGE COc1ccc(/C=C(\C#N)C(=O)N(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 40971385 WFIHQBSHLHDEOK-CAPFRKAQSA-N 462.527 4.341 50 10 JIGE CCCOc1c(Cl)cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc(O)n2)cc1OCC 169923196 MLKXMEUDDUJFHJ-AFUMVMLFSA-N 454.914 4.454 50 10 JIGE O=C(NCCCCI)c1ccc(Br)cc1C(F)(F)F 229524520 JVYOGMPEJLDWPJ-UHFFFAOYSA-N 450.036 4.413 50 10 JIGE O=S(=O)(N[C@@H]1CCCC[C@H]1CBr)c1cc(Br)ccc1Br 231622102 WJJSWVYSSOHFPH-JOYOIKCWSA-N 490.055 4.444 50 10 JIGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc(OC)cc3)cc2OCC)cc1 254759546 USJRZHRIFLCUKU-UHFFFAOYSA-N 462.502 4.476 50 10 JIGE Cn1ncc([C@H](Br)c2ccc(Br)s2)c1I 307571311 XUCGQQQIHNSVTO-QMMMGPOBSA-N 461.948 4.333 50 10 JIGE O=C(COc1ccc(Br)cc1Br)NN=Cc1c[nH]c2ccccc12 1084193590 PFOFSHOMATYOOL-UHFFFAOYSA-N 451.118 4.222 50 10 JIGE CCOc1ccccc1N(CC(=O)NN=Cc1ccc(SC)cc1)S(=O)(=O)c1ccccc1 1084654700 PMENOPIKGMFDPR-UHFFFAOYSA-N 483.615 4.153 50 10 JIGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc(-c3cccc(F)c3)c(F)c2)cc1 1669622523 XUYQLKGQCGJTKB-HNNXBMFYSA-N 453.445 4.455 50 10 JIGE Cc1cc(NC(=O)c2oc3c(c2C)C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC3)no1 1772748348 CCVFEZHDCIABJD-UHFFFAOYSA-N 484.328 4.126 50 10 JIGE O=C(Cn1c(O)nc2ccccc2c1=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1873793433 DPSLRIVAUIIOHJ-KKMKTNMSSA-N 497.338 4.138 50 10 JIGE CN(Cc1ccc(I)c(Br)c1)C[C@@H]1C[C@H]1Br 1904348555 QTMGJORUONRNRY-VHSXEESVSA-N 458.963 4.269 50 10 JIGE CCOc1c(OC(F)(F)F)ccc(C(=O)CBr)c1I 2055053899 BTAWRPNANGSXHN-UHFFFAOYSA-N 452.992 4.166 50 10 JIGE FC(F)(F)c1cnc(N2C[C@@H](Br)[C@H](C3CC3)C2)c(I)c1 2146826954 JNUAFDXVIZKVCZ-VHSXEESVSA-N 461.063 4.315 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2CC(C)(C)[C@@H]2CBr)cc1Br 2148960460 AYVIHYHJBYFPFG-LBPRGKRZSA-N 490.055 4.314 50 10 JIGE Cc1oc(CBr)cc1S(=O)(=O)N(C)C[C@@H]1CCCN(Cc2ccccc2)C1 2179810470 FHHHVAANBNOZFQ-SFHVURJKSA-N 455.418 4.016 50 10 JIGE CN([C@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)S(=O)(=O)c1ccc(CBr)s1 2179810621 CSPYBOGFWJTSMZ-BCDXTJNWSA-N 469.470 4.459 50 10 JIGE CCc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)[C@H](C)C2)cc1CBr 2179862439 WMVPRNYEFJYWEC-QGZVFWFLSA-N 451.430 4.039 50 10 JIGE O=C(c1ccc(F)cc1I)N1C[C@@H](Br)CC12CCCC2 2241025667 CZADWMGRUMOPJA-JTQLQIEISA-N 452.105 4.353 50 10 JIGE COc1cc(C[C@@H](Br)CN2C(=O)c3ccccc3C2=O)sc1Br 2242462221 BEXNARPMAZLZOV-SECBINFHSA-N 459.159 4.121 50 10 JIGE COC(=O)c1cccc(-n2c(C)cc(C=C(C#N)C(=O)NCc3ccc(OC)cc3)c2C)c1C 2294175228 FYWCXWUFBQPXGF-UHFFFAOYSA-N 457.530 4.421 50 10 JIGE CCOC(=O)c1ccc(-c2ccc(C=C(C#N)C(=O)N3CCN(c4ccccc4)CC3)o2)cc1 2313545932 PFYVXNALYZKHAM-UHFFFAOYSA-N 455.514 4.379 50 10 JIGE N#CC(=Cc1ccc(-c2ccc(C(=O)O)cc2)o1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 2314486374 CODZGEODXFFPJF-UHFFFAOYSA-N 461.499 4.230 50 10 JIGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4)ccc32)cc1 2314634697 AVZKJTZLPFFROQ-RUZDIDTESA-N 452.466 4.310 50 10 JIGE COC[C@]1(CBr)C=CCN1Cc1ccc(Br)cc1Br 2351705829 ADCQCAOTCUCXDU-CQSZACIVSA-N 454.000 4.364 50 10 JIGE COc1cc(/C=N/NC(=O)COc2ccc(C(C)C)cc2Br)cc(OC)c1OC 12579878 DVQKDVNOGOMFIQ-FOKLQQMPSA-N 465.344 4.127 50 10 JIGE CC(C)Oc1ccc(C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 14038855 KNOZORRTYRNMAG-UHFFFAOYSA-N 463.372 4.374 50 10 JIGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1ccccc1[N+](=O)[O-] 35263001 XYJHRXFEGAMZAE-ATVHPVEESA-N 461.430 4.029 50 10 JIGE CCc1nn2c(=O)cc(COc3ccc(/C=C(/C#N)c4nc5ccccc5[nH]4)cc3OC)nc2s1 50806585 LOVVQWIAMINZAO-YBEGLDIGSA-N 484.541 4.241 50 10 JIGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(OCC)c(OC)cc2Br)cc1 58895015 ZYQKXYYHUORQLJ-QHSFOXILSA-N 479.371 4.219 50 10 JIGE O=C(N/N=C1\C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21)c1ccccc1 59167460 XEPZVYWPYQLEIC-QQTULTPQSA-N 452.283 4.269 50 10 JIGE COc1cc([C@H](C(=O)NC2CCCCC2)N(Cc2cccs2)C(=O)CCl)ccc1O 97914632 AZBZAPWICAHAQA-OAQYLSRUSA-N 450.988 4.220 50 10 JIGE O=C1COc2ccc([C@H](Br)c3csc(I)c3)cc2N1 124422217 DXJWVQTXAYDWQX-ZDUSSCGKSA-N 450.095 4.168 50 10 JIGE COc1cc(/C=N\NC(=O)Cc2cc(Cl)ccc2SC)cc([N+](=O)[O-])c1OC(C)C 169922726 XWSUBATVMSTGDX-JJFYIABZSA-N 451.932 4.459 50 10 JIGE O=C(O)CNc1ccc(C(=O)[C@H](Br)[C@@H](Br)c2ccc([N+](=O)[O-])cc2)cc1 205191775 WDQAAPPZMCNHDO-JKSUJKDBSA-N 486.116 4.174 50 10 JIGE CCOc1cc(/C=C2\C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCCC(C)C 214430514 WUAVIIZSDPZNDI-STZFKDTASA-N 468.550 4.056 50 10 JIGE CC(C)[C@H](CBr)NC(=O)c1cc(I)ccc1Br 232853602 KIBJXNPSXXBGPW-NSHDSACASA-N 474.962 4.203 50 10 JIGE CC(C)(C)c1ccc(OCC(=O)NN=Cc2ccc(OC(=O)c3ccc4c(c3)OCO4)cc2)cc1 252638730 YFCLUDGHBWKENB-UHFFFAOYSA-N 474.513 4.461 50 10 JIGE Cc1nn(-c2ccccc2)c(N2CCCC2)c1C=NNC(=O)CNc1cccc(C(F)(F)F)c1 254615369 JSXLVVMGOUGCID-UHFFFAOYSA-N 470.499 4.362 50 10 JIGE CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=C/C=C/c2cccc([N+](=O)[O-])c2)cc1 254836133 NCEIYLRLPNZOGY-AYQFLSEMSA-N 483.528 4.247 50 10 JIGE CO[C@@H]1[C@H](Cl)C[C@H]1Oc1c(I)cc(Cl)cc1I 310426980 QCFBPWDZNPQJHH-BDODKLCJSA-N 498.913 4.323 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2CCC[C@H](Br)CC2)cc1Br 378678148 RSPPEIOZARZCMA-JTQLQIEISA-N 490.055 4.458 50 10 JIGE CC(C)(C)OC(=O)NC[C@](C)(CI)OC[C@@H]1C[C@H]2CCCC[C@@H]2O1 379136908 RCFMGTZGYKAXME-LLDVTBCESA-N 453.361 4.069 50 10 JIGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2ccc(F)cc2O)C1 382721275 NOOPBZFFLUQPSG-PBHICJAKSA-N 455.267 4.319 50 10 JIGE COc1ccc(Cl)cc1NC(=O)C(=O)NN=Cc1cc(C)n(-c2ccc(C)cc2C)c1C 725443056 ZLCRVHYROWXZLD-UHFFFAOYSA-N 452.942 4.462 50 10 JIGE CCN(C(=O)COC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1)C1CCCCC1 761414269 GAVOTWLPOZUMBW-PGMHBOJBSA-N 459.550 4.095 50 10 JIGE CCc1ccc(C(=O)NNC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)cc1 818028952 ARWTUVORLDBMBT-ZHZULCJRSA-N 472.936 4.048 50 10 JIGE CCc1ccc(C=NNC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc1 1083976901 BIXARRMWGAROPO-UHFFFAOYSA-N 455.967 4.248 50 10 JIGE COc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OCC#N 1084267781 KENWTZLGUORTBN-LICLKQGHSA-N 479.334 4.107 50 10 JIGE C=C(C)CN(C)C(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(OC(F)F)c(OC)c1 1640872134 RIOAAEKCJCDAQH-YVLHZVERSA-N 455.465 4.015 50 10 JIGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(O)cc1O)C(C#N)=C(N)O2 1865681159 GLTIBFKUTFJKEH-LJQANCHMSA-N 467.323 4.217 50 10 JIGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(OC)c(O)c1)C(C#N)=C(N)O2 1865682154 HMPNWDRBMXDQGA-FQEVSTJZSA-N 454.889 4.219 50 10 JIGE CC(C)(C)OC(=O)N[C@H](CBr)Cc1c(Br)cncc1Br 1882087955 NKYUADGBJQELPA-QMMMGPOBSA-N 473.003 4.437 50 10 JIGE CC(C)(C)OC(=O)N1CC[C@@](COCc2ccccc2)(C(=O)NC[C@H]2C[C@H](Br)C2)C1 1991446452 FNXSUAGOLAIMOM-DNVFCKCGSA-N 481.431 4.120 50 10 JIGE Cc1cc(Br)c([C@@H](Br)C2(C)CS(=O)(=O)C2)cc1Br 2036206168 MDUHPLXCYIPDJO-LLVKDONJSA-N 461.013 4.391 50 10 JIGE O=C(N[C@H]1CCCC[C@H]1Br)c1ccc(Br)cc1I 2086148338 ZHUOGDSWPQZGBG-PWSUYJOCSA-N 486.973 4.490 50 10 JIGE C[C@@](CBr)(NS(=O)(=O)c1cc(Br)ccc1Br)C1CC1 2090414328 MZNNNFGLVIWZKC-LBPRGKRZSA-N 476.028 4.054 50 10 JIGE C[C@@]1(CBr)CCN1S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2097247614 OOKAJMJJCMNZRG-NSHDSACASA-N 451.995 4.304 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@H](Br)C2(CCC2)C1 2108703256 OXFQYXFLNUCFCC-LBPRGKRZSA-N 498.984 4.443 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@H]2C[C@@H](Br)C[C@H]2C1 2128630825 IAKBUFLXLJYHQG-ILWJIGKKSA-N 498.984 4.299 50 10 JIGE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2ccc(CBr)cc2)C[C@@H]1C(F)(F)F 2163051874 XOAATKGYFJKRMR-KBPBESRZSA-N 451.283 4.109 50 10 JIGE CCn1ncc(CC(CBr)(CBr)c2cccc(Br)c2)n1 2172441852 YUOHOHVRUJFDSS-UHFFFAOYSA-N 466.015 4.331 50 10 JIGE O=C(c1scc(Br)c1Br)N1CCC2(CC1)C[C@H](Br)CO2 2173173106 NCFROKCAOXBYKI-QMMMGPOBSA-N 488.039 4.432 50 10 JIGE Cn1nc(Br)c(C[C@H](CBr)Cc2ccc(Br)cc2)n1 2226984894 LOWCCGNAFOVVIF-SNVBAGLBSA-N 451.988 4.136 50 10 JIGE CC(NNC(=O)c1cccs1)=C1C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 2313682438 CJFHMOSOFYBMMT-UHFFFAOYSA-N 459.556 4.317 50 10 JIGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 2314617619 KQOHUGIFNYSDDU-UHFFFAOYSA-N 483.484 4.068 50 10 JIGE CC(=NNC(=O)c1ccc(-c2ccc(F)cc2F)nc1C)c1ccc2c(c1)N(C)C(=O)[C@@H](C)O2 2321276074 QXNZYIJFBGVXOK-OAHLLOKOSA-N 464.472 4.233 50 10 JIGE CCCOc1ccc(C=NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1OCC 2325903204 FXEWCLFVWVMVFV-IAGOWNOFSA-N 496.633 4.482 50 10 JIGE CCN(CC)Cc1ccc(C=NNC(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)cc1 2325904592 CYZSDBHHZNKWEL-UHFFFAOYSA-N 487.629 4.426 50 10 JIGE CC(C)[S@](=O)(=NC[C@@]1(CBr)CC1(F)F)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2351887560 APWHXYBJOUAMAD-MTOJNIIGSA-N 459.397 4.293 50 10 JIGE Clc1ccc(CN2C[C@@H]3OCCC[C@]3(CBr)C2)cc1I 2362368816 RIEKIDSDOWUQCO-GJZGRUSLSA-N 470.576 4.321 50 10 JIGE Cc1ccc(O[C@@H](C)C(=O)NNC(=O)COc2ccc3ccccc3c2Br)cc1C 10151961 DCXOZMJUMVRBOV-INIZCTEOSA-N 471.351 4.213 50 10 JIGE O=C(CCc1ccccc1Cl)NC(=S)NNC(=O)C(c1ccccc1)c1ccccc1 10460241 AFJJRCHEAQLOKI-UHFFFAOYSA-N 451.979 4.127 50 10 JIGE CCCOc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)CC(C)C)cc2)cc1Br 14647365 ZGHLKMZSIJXKHX-UHFFFAOYSA-N 476.371 4.297 50 10 JIGE CC(C)COc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2Cl)cc1Br 14654254 FOTIWYKKRQFWCZ-UHFFFAOYSA-N 484.803 4.087 50 10 JIGE COc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)S(=O)(=O)c2ccccc2)cc1 33365850 GAAYETAIFSRKKU-QNGOZBTKSA-N 473.510 4.142 50 10 JIGE Cc1ccccc1C(=O)NNc1ncnc(N(Cc2ccccc2)c2ccccn2)c1[N+](=O)[O-] 40657744 ITXPRHNXLJXDTM-UHFFFAOYSA-N 455.478 4.183 50 10 JIGE Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/NC(=O)c2cc3ccccc3cc2O)cc1 59157395 CEHKCCCJXHOSJF-WGOQTCKBSA-N 460.511 4.385 50 10 JIGE CCCC1=NN2C(=N)/C(=C/c3ccc(OCCBr)c(OCC)c3)C(=O)N=C2S1 102965993 YSEYGRIVBRLEKH-VGCFXMIHSA-N 465.373 4.278 50 10 JIGE O=C(N[C@H]1CCC[C@@H]1Br)c1cc(I)ccc1Br 232463007 ZADMPSYWNDBWHV-QWRGUYRKSA-N 472.946 4.100 50 10 JIGE O=C(NN=Cc1sc(N2CCOCC2)nc1-c1ccccc1)c1ccccc1-n1cccc1 254869867 MZZTUGDWUQZGPN-UHFFFAOYSA-N 457.559 4.201 50 10 JIGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2ccccc2[N+](=O)[O-])C1 382704456 RIIRDGVCAMNACM-WBVHZDCISA-N 466.275 4.382 50 10 JIGE C[C@H]1CN(C(=O)c2cc(Cl)ccc2I)C[C@]1(C)CBr 694707572 LBQYZRCMXGHHLM-XPTSAGLGSA-N 456.549 4.438 50 10 JIGE CN(C[C@@H](Br)C1CC1)C(=O)c1ccc(I)c(Br)c1 721508296 IBWQDDBAQZQVRR-LLVKDONJSA-N 486.973 4.299 50 10 JIGE CN(C[C@@H]1COc2ccccc2O1)C(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1 818031985 BXQVETLUXCABIY-DUBROFONSA-N 487.947 4.323 50 10 JIGE CCC(=O)Nc1ccc(C(=O)NN=Cc2cc(Br)cc(Br)c2O)cc1 1084222447 ZGICOPFDFFFVQI-UHFFFAOYSA-N 469.133 4.030 50 10 JIGE O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)NN=Cc1c(Cl)cccc1Cl 1084301009 KBWMYALGYOXDJB-UHFFFAOYSA-N 490.412 4.377 50 10 JIGE CCOc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(I)c1OCC#N 1084345566 TVMALZRTDDHOJS-UHFFFAOYSA-N 489.269 4.102 50 10 JIGE C=CCOc1cccc(C=NNC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)c1 1084448170 IYGKYPAAWRUJDS-UHFFFAOYSA-N 468.601 4.333 50 10 JIGE C=C(C)c1cccc(NC(=O)NNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)c1 1477188111 FNBUXKFLMIXHFZ-UHFFFAOYSA-N 456.549 4.049 50 10 JIGE CC(C)(C)OC(=O)N1C[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@H]1C(=O)O 1857784195 OOPOXPCVFCABPQ-UGKGYDQZSA-N 469.654 4.026 50 10 JIGE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1cc(OC)c(O)c(OC)c1)C(C#N)=C(N)O2 1865715217 ZHRATMKFYXPCJB-QFIPXVFZSA-N 460.534 4.052 50 10 JIGE CCOc1cc(/C=N/NC(=O)[C@H](C)NC(=O)OC(C)(C)C)ccc1OCc1ccccc1C 1873794689 VIXNVSIDBQWXIW-CMPFEXHJSA-N 455.555 4.336 50 10 JIGE C[C@@H](Br)CN(Cc1ccccc1)C(=O)c1ccc(I)c(O)c1 1914607521 KXOXWYHZRJGPFK-GFCCVEGCSA-N 474.136 4.423 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC[C@@](C)(F)C(F)(F)F)C1 2017066174 HBUPGLUNSTUMDW-ZIAGYGMSSA-N 469.257 4.498 50 10 JIGE CCN(CC)S(=O)(=O)C[C@@H](Br)c1ccc(I)c(Cl)c1 2089399288 AONWUQOMDIGHPR-SNVBAGLBSA-N 480.593 4.052 50 10 JIGE CN(Cc1cnn(C)c1Br)c1cccc(Br)c1CBr 2116624456 JQCYFOFUWXKBTQ-UHFFFAOYSA-N 451.988 4.476 50 10 JIGE O=C(NC1CC(Br)C1)c1c[nH]c2cc(Br)c(Br)cc12 2126740891 NHYGDULVZRRDIN-UHFFFAOYSA-N 450.956 4.349 50 10 JIGE CC1(C)CCN(C(=O)c2cccc(F)c2I)C[C@H]1CBr 2148668229 ABSSSERFKZFBGD-SNVBAGLBSA-N 454.121 4.314 50 10 JIGE C[C@@](CCl)(NS(=O)(=O)c1cc(Br)ccc1Br)C(F)(F)F 2161365216 LXYRLMYWGZBFDY-VIFPVBQESA-N 459.509 4.050 50 10 JIGE CCC1(NC(=O)OC(C)(C)C)CCN(S(=O)(=O)c2ccc(CBr)cc2)CC1 2163051175 QQSPTDPMWVKDJN-UHFFFAOYSA-N 461.422 4.040 50 10 JIGE Cc1cc(S(=O)(=O)N2C[C@H]3CN(Cc4ccccc4)C[C@]3(C)C2)sc1CBr 2179822874 BMPIACZZEMYHGI-YLJYHZDGSA-N 469.470 4.094 50 10 JIGE CN([C@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)S(=O)(=O)c1cc(CBr)cs1 2179823640 LSUYXXMFYFVPPS-REPLKXPHSA-N 469.470 4.459 50 10 JIGE O=S1(=O)C[C@H]2C([C@H](Br)c3cc(Br)c(Br)cc3F)[C@@H]2C1 2225616930 KKTGRWUUDQDXSZ-NQYJQULFSA-N 476.987 4.077 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N[C@H]1CC[C@H](CBr)C1 2277914240 FUKPNFUGXNZFSB-ZANVPECISA-N 454.000 4.434 50 10 JIGE C[C@](CBr)(NC(=O)Cc1cc(Br)cc(Br)c1)C(F)F 2277923357 FJWSXSRPKLKODP-GFCCVEGCSA-N 463.942 4.289 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N1CCSC[C@@H]1CCBr 2295307376 IUTNWCUIZRXLJT-ZDUSSCGKSA-N 486.067 4.483 50 10 JIGE Cc1ccccc1C[C@@H]1SC(=C(C#N)C(=O)NCc2ccco2)N(c2ccc(F)cc2)C1=O 2296835093 WUMWXLHEAYFXBL-QFIPXVFZSA-N 461.518 4.470 50 10 JIGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(Cl)cc2C)c(OC)c1 2314785137 RWRAXNIVRBTNAZ-UHFFFAOYSA-N 456.926 4.465 50 10 JIGE CSCC[C@@H](NC(=O)C(C#N)=CNc1ccc(-c2nc3ccc(C)cc3s2)cc1)C(=O)O 2325031484 MPCUPAWVRHMLTH-LJQANCHMSA-N 466.588 4.414 50 10 JIGE C[C@H]1CCC[C@](CBr)(NC(=O)c2c(Br)c(Br)nn2C)C1 2364017836 MVTOUCRREAMWFT-SDBXPKJASA-N 472.019 4.019 50 10 JIGE COc1ccc(OC)c(/C=N/NC(=O)COc2ccc(C(=O)Nc3cccc(Cl)c3C)cc2)c1 959089 ZBKWGNJFWFQOGP-MZJWZYIUSA-N 481.936 4.447 50 10 JIGE CCC(C)(C)c1ccc(OCC(=O)NNC(=O)COc2ccc(C)cc2Br)cc1 8905732 WBKHOGINMURMQY-UHFFFAOYSA-N 463.372 4.050 50 10 JIGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=O)c1cccc(OCCOc2ccccc2)c1 14040880 JTJWBDBRTWKXSM-HXUWFJFHSA-N 462.546 4.498 50 10 JIGE O=C(COc1c(Br)cc(F)cc1Br)NNC(=O)Nc1cccc(Cl)c1 39892011 BCDGBPBJKNEYQJ-UHFFFAOYSA-N 495.530 4.236 50 10 JIGE Nc1c(NNC(=O)COc2ccc(Cl)cc2Cl)ncnc1Oc1ccc(Br)cc1 40795629 HNIPUGMPYPUDKI-UHFFFAOYSA-N 499.152 4.443 50 10 JIGE O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)N/N=C/c1c[nH]c2ccccc12 58988960 NRPKSWSEGHOVML-JFLMPSFJSA-N 453.531 4.053 50 10 JIGE O=C(CCCC(=O)Nc1cccc(Br)c1)N/N=C/c1ccc(Br)cc1 59378503 OKYVIOULRMTHGF-CIAFOILYSA-N 467.161 4.471 50 10 JIGE CCC[C@@H](CBr)COc1c(I)cc(C#N)cc1[N+](=O)[O-] 96871048 LJWBHMGQHMYOQX-VIFPVBQESA-N 453.074 4.261 50 10 JIGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2)oc2c1/C(=N/NC(=O)c1cccc(Cl)c1)CCC2 101601498 UQHFCEORXMLKNX-OVVQPSECSA-N 499.354 4.440 50 10 JIGE CCOc1cc(OCC)c([N+](=O)[O-])cc1/C=N\NC(=O)Cc1cc(Cl)ccc1SC 169922869 VNSLHTLSTSBLJE-UUYOSTAYSA-N 451.932 4.460 50 10 JIGE O=S(=O)(c1ccc(Br)cc1Cl)N(CCBr)CC(F)(F)F 231587897 AJJZZJGWTJKXHT-UHFFFAOYSA-N 459.509 4.050 50 10 JIGE COc1ccc(C=NNC(=O)CSc2nc3ccccc3n2Cc2ccccc2)c(OC)c1OC 254296268 QATBZMTWAOELSC-UHFFFAOYSA-N 490.585 4.353 50 10 JIGE COc1cc(C=NNC(=O)c2c[nH]c3ccccc23)ccc1OCC(=O)N1[C@H](C)CCC[C@H]1C 254385072 FIXNPDWSYVPZRX-QZTJIDSGSA-N 462.550 4.109 50 10 JIGE CCOc1cc(C(=O)NN=C(C)c2ccc(NC(=O)C3CC3)cc2)cc(OCC)c1OCC 254795639 VERKOVUGAPFXNO-UHFFFAOYSA-N 453.539 4.385 50 10 JIGE Cc1cc(/C=C(\C#N)C(=O)NCc2ccc(OCc3ccccn3)cc2)c(C)n1C[C@@H]1CCCO1 917755830 IBFRVMZNRORXKN-LMVGNEGFSA-N 470.573 4.481 50 10 JIGE C=CCOc1ccc(C=NNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 1084018921 SMVASYHHIAQWEZ-UHFFFAOYSA-N 481.549 4.045 50 10 JIGE O=C(COc1ccc(Br)cc1Cl)NN=Cc1ccc(Br)s1 1084080919 ZXEFHTMFAILKKX-UHFFFAOYSA-N 452.555 4.456 50 10 JIGE O=C(NN=Cc1cc(Br)c(N2CCCC2)o1)C(O)(c1ccccc1)c1ccccc1 1084103052 MNMYSPROYCDYGJ-UHFFFAOYSA-N 468.351 4.029 50 10 JIGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)CC[C@H](O)c3ccc(OCC)cc3)o2)cc1 1084568934 NOIXANFXLDXPMH-QHCPKHFHSA-N 464.518 4.486 50 10 JIGE CCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865697372 QTJMTBRZCJQDHV-HSZRJFAPSA-N 460.534 4.457 50 10 JIGE CC(C)(C)OC(=O)N[C@H](CBr)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@]2(CCCO2)C1 1885097760 UBWRXBKCPFPQMY-MDOVXXIYSA-N 463.413 4.081 50 10 JIGE O=C(NC1CC(CCBr)C1)c1ccc(I)c(Br)c1 2030029544 BRJBDVIFBVQAHK-UHFFFAOYSA-N 486.973 4.347 50 10 JIGE CC[C@@H]1SC(=C(C#N)C(=O)NCCc2ccccc2)N(c2ccc(Br)cc2)C1=O 2040532189 QHYWOICFAGIUNG-IBGZPJMESA-N 470.392 4.402 50 10 JIGE CCOc1c(C(=O)CBr)ccc(OC(F)(F)F)c1I 2055052238 MXZPFGBURVSORP-UHFFFAOYSA-N 452.992 4.166 50 10 JIGE CCOC(=O)Cc1cc(CBr)c(I)cc1OC(F)(F)F 2055275767 OBOZASIBCBXFPZ-UHFFFAOYSA-N 467.019 4.190 50 10 JIGE C[C@H](CBr)N1CCN(Cc2cc(Br)ccc2Br)CC1 2118520760 XSCQPMBXXFRYJW-LLVKDONJSA-N 455.032 4.113 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CC[C@H](CBr)C12CC2 2133807951 GBLHCGLTTIWLPK-SNVBAGLBSA-N 498.984 4.443 50 10 JIGE O=C(c1csc(Br)c1Br)N1CC[C@]2(C[C@@H](Br)CO2)C1 2137120146 DHXNUWAWPDJDRB-KRTXAFLBSA-N 474.012 4.042 50 10 JIGE CC(C)(C)OC(=O)N[C@H]1CCC(C)(C)N(S(=O)(=O)c2ccc(CBr)cc2)C1 2193498554 WCFXHWOHYZCXFG-HNNXBMFYSA-N 461.422 4.038 50 10 JIGE CN(C[C@H](Br)COCc1ccccc1)S(=O)(=O)c1ccc(F)c(Br)c1 2224005257 ZZQWAWJQZUNCPL-AWEZNQCLSA-N 495.208 4.189 50 10 JIGE CCOc1ccc(OCC(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2OCC)cc1 2314760320 LABSIMVMGPSXLM-UHFFFAOYSA-N 490.512 4.285 50 10 JIGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1cccc(CC)c1 2314760663 VKNMXNQFMQQEGN-UHFFFAOYSA-N 474.513 4.448 50 10 JIGE Clc1ccc(CN2CC3(CCOCC3)[C@@H]2CBr)cc1I 2381057402 ZEOADHQZFQBTGV-AWEZNQCLSA-N 470.576 4.321 50 10 JIGE COc1cc(/C=N/NC(=O)COc2cccc3ccccc23)ccc1OC(=O)c1ccc2c(c1)OCO2 712357 MJYBHOKZPBLKFR-WKULSOCRSA-N 498.491 4.325 50 10 JIGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(CCc4ccc(OC)cc4)c(=O)c32)cc1 2442339 KICOVZGGKOXPQK-XMMPIXPASA-N 457.530 4.025 50 10 JIGE CC(C)(C)c1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2Br)cc1 13986929 IDBAPSWLLLGYPY-UHFFFAOYSA-N 498.830 4.115 50 10 JIGE CSc1ccc([N+](=O)[O-])c(C(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)c1 16232831 QTGQHWWPGHDFQR-UHFFFAOYSA-N 455.467 4.110 50 10 JIGE CC(C)[C@@H](Br)CNC(=O)c1cc(Br)ccc1I 232693387 CJMGQSNNFSRIPO-JTQLQIEISA-N 474.962 4.203 50 10 JIGE COc1ccc(/C=C\C=NNC(=O)/C(=C/c2cc(OC)ccc2OC)NC(=O)c2ccccc2)cc1 254386094 RRQPPYWJGWTBGC-HFVMVYPWSA-N 485.540 4.299 50 10 JIGE O=C(COc1cccc2cccnc12)NN=Cc1cn(CC(=O)Nc2ccc(F)cc2)c2ccccc12 263626586 MPOXGZHWMQJEGY-UHFFFAOYSA-N 495.514 4.496 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@H]2C[C@H](Cl)C[C@H]1C2 709820585 XUEOFRQIOIAGEK-ATZCPNFKSA-N 454.533 4.286 50 10 JIGE Cc1cc(/C=C(/C#N)C(=O)OCC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)c(C)n1-c1ccc(F)cc1 728088214 FAGYVTQMWHBHBW-LELXDKESSA-N 487.487 4.286 50 10 JIGE N#CCCn1cc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccc(N3CCCC3)cc2)c(-c2ccccc2)n1 729344240 DDYHCZXEWIGESP-OQKWZONESA-N 494.555 4.153 50 10 JIGE N#CCCn1cc(/C=C(\C#N)C(=O)OC[C@H](C#N)Cc2ccc(F)cc2)c(-c2ccccc2)n1 920876197 FSLQDZQHCJBITR-ISXGRJCASA-N 453.477 4.436 50 10 JIGE Cc1ccsc1C=NNC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 1084111906 NWIKLABQGFQFCU-UHFFFAOYSA-N 492.420 4.165 50 10 JIGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2ccc([N+](=O)[O-])c(O)c2)C1 1614636542 JPQLSJXHLOUPEX-CVEARBPZSA-N 482.274 4.088 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc(Cl)c2)[C@H]1c1ccccc1C(=O)O 1865704266 RMDSZSOEYZVKHC-HNNXBMFYSA-N 460.799 4.461 50 10 JIGE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(OC)cc1OC)C(C#N)=C(N)O2 1865707903 IXSYAEPZSGEOTB-OAQYLSRUSA-N 450.926 4.383 50 10 JIGE CCC[C@@H](NC(=O)[C@@H]1CCCN1Cc1ccccc1F)C(=O)Nc1ccc(SC#N)cc1 1866917354 GPCLZFJFOVJZPI-YADHBBJMSA-N 454.571 4.287 50 10 JIGE O=C(O)C=Cc1cc(Br)c(OC[C@H]2C[C@@H]2Br)c(Br)c1 1887908571 SMALKPNCKXTSHG-BDAKNGLRSA-N 454.940 4.472 50 10 JIGE O=C(NC1(C(=O)NC2CC(Br)C2)CC1)OCC1c2ccccc2-c2ccccc21 1890630585 BXCMOEDOVVAZPC-UHFFFAOYSA-N 455.352 4.100 50 10 JIGE O=C(CCl)c1ccc(I)c(Br)c1I 2059980183 YPRRSHLJNOGWOR-UHFFFAOYSA-N 485.284 4.080 50 10 JIGE O=C(CCl)c1ccc(I)c(OC(F)(F)F)c1I 2060035887 UECCVIWYRGBDES-UHFFFAOYSA-N 490.384 4.216 50 10 JIGE O=C(c1cccc(Br)c1Br)N1CC(F)(F)C[C@H]1CBr 2102805275 ZYUPSXQOJGVOCI-ZETCQYMHSA-N 461.926 4.456 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CC2(CC2)C[C@H]1CCl 2142280200 AHFWQHVHNSZAQJ-JTQLQIEISA-N 454.533 4.287 50 10 JIGE O=C(c1ccc(F)cc1I)N1CC[C@@H](Br)CC12CCC2 2169883921 BLUNKNDAEPLSEH-SNVBAGLBSA-N 452.105 4.353 50 10 JIGE Cn1cc([C@H](Br)c2cc3c(cc2Br)OCCO3)c(Br)n1 2173181280 CQBVXRXNQFRDHB-GFCCVEGCSA-N 466.955 4.201 50 10 JIGE CN([C@H]1CN(Cc2ccccc2)C(C)(C)C1)S(=O)(=O)c1ccccc1CBr 2179807953 BNKNNLWJXWPFKL-LJQANCHMSA-N 451.430 4.255 50 10 JIGE Cc1cc(CBr)cc(S(=O)(=O)N(CCCN(C)C)Cc2ccccc2)c1C 2179862054 QFRMAMFCTFFLPX-UHFFFAOYSA-N 453.446 4.341 50 10 JIGE Cc1cc(F)c(CCl)c(-n2cnc(I)c2I)c1 2248174215 HFRPJCFOAMOUJV-UHFFFAOYSA-N 476.458 4.268 50 10 JIGE CCc1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)NCCc2ccccc2)cc1 2296543602 PTNLNGJJAIIAFC-UHFFFAOYSA-N 464.525 4.315 50 10 JIGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(Cl)cc2)sc(C(=O)OCCOC)c1C 2329654306 JSFXXFAAWIKASJ-UHFFFAOYSA-N 476.938 4.236 50 10 JIGE Cc1sc(Br)cc1C(=O)NCC(F)(F)C(F)(F)CI 2336526168 COFXWYIPTDAHSK-UHFFFAOYSA-N 474.055 4.254 50 10 JIGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)Nc1ccc(CCl)c(F)c1 2367633121 DHDNYSMLZGCLHG-UHFFFAOYSA-N 452.935 4.163 50 10 JIGE COc1ccc(CC(=O)NNC(=O)c2ccc(SCc3cccc(F)c3)c([N+](=O)[O-])c2)cc1 3020486 YRWBLKMYZBXQKR-UHFFFAOYSA-N 469.494 4.039 50 10 JIGE CCOC(=O)c1sc(NC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)c(SC#N)c1C 9629926 QBDZHYXGBOJDBS-UHFFFAOYSA-N 472.997 4.262 50 10 JIGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)cc(C)c4)ccc32)cc1 38683579 BVBLRKDAZBNJQU-AREMUKBSSA-N 484.508 4.293 50 10 JIGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C)C(=O)C(C#N)=C2C)cc1 101303352 DRPLORLDRKHHPW-HZHRSRAPSA-N 450.498 4.326 50 10 JIGE COc1cc(-c2nc3ccc(C(=O)NN)cc3[nH]2)cc(Br)c1OCc1cccc(C)c1 256048937 XEGVVRJUFAUEQX-UHFFFAOYSA-N 481.350 4.492 50 10 JIGE C[C@H]1CCCN(S(=O)(=O)c2cc(Cl)c(Br)s2)[C@@H]1CBr 688772943 SHMKTKFBLLMQAN-IONNQARKSA-N 451.633 4.348 50 10 JIGE C[C@H]1CCN(C(=O)c2ccc(I)c(Cl)c2)C[C@@H]1CBr 700432864 SDOMVJPWMLHLCG-ONGXEEELSA-N 456.549 4.438 50 10 JIGE CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(S(=O)(=O)C[C@H]3CCCO3)cc2)c1C 731336799 SQGNMWBOWQFXSL-JDCXBEBJSA-N 469.607 4.403 50 10 JIGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2nc3c(s2)C[C@H](C(C)(C)C)CC3)cc1 1204145429 WAJQKHWLUFXVDM-GOEBONIOSA-N 458.584 4.117 50 10 JIGE COc1cccc(OC)c1[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1CI 1614625199 XEQCFIYRIOBODO-SJORKVTESA-N 481.330 4.491 50 10 JIGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@@H](c2ccc(C(=O)O)cc2)C(C#N)=C(N)O3)cc1 1865708857 HRBXNWNSHFTSCA-QHCPKHFHSA-N 494.507 4.473 50 10 JIGE O=S1(=O)CCC[C@H]1[C@H](Br)c1sc(Cl)cc1I 1900962705 IJQQODIWMDSKLY-XPUUQOCRSA-N 455.564 4.019 50 10 JIGE CC1(C)CN(C(=O)c2cc(Cl)ccc2I)C[C@H]1CBr 1914532804 YWEMDZXLNRRCKM-SECBINFHSA-N 456.549 4.438 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@@H](Cl)CC2(CC2)C1 1925987529 JKDBOVRATGBKFH-VIFPVBQESA-N 454.533 4.287 50 10 JIGE F[C@H]1[C@H](Br)C[C@H]2CC[C@H]1N2c1ncc(I)cc1Br 2070540525 UUDVVWQNZSTPFM-OYBPUVFXSA-N 489.952 4.291 50 10 JIGE C[C@H](Br)[C@H]1CCCN1C(=O)c1ccc(I)c(Br)c1 2073312185 IPEJAIVKGCNLPO-QPUJVOFHSA-N 486.973 4.442 50 10 JIGE Cc1cc(-n2nc(CBr)c(I)c2C(F)(F)F)ccc1O 2079256463 CATKDOCZFXFQNV-UHFFFAOYSA-N 461.019 4.405 50 10 JIGE C[C@H](Br)CN1CCN(Cc2cccc(Br)c2Br)CC1 2113860875 IFVHBEDAELKVAT-NSHDSACASA-N 455.032 4.113 50 10 JIGE FC(F)(F)c1cnc(N2C[C@@H]3C[C@H](CBr)[C@@H]3C2)c(I)c1 2174306147 DCQHSRBXHJJGGI-WEDXCCLWSA-N 461.063 4.172 50 10 JIGE CS[C@@H]1CCC[C@@H]1N(C)S(=O)(=O)c1cc(CBr)sc1Br 2179787287 MRQJLNJYLYMNNP-VHSXEESVSA-N 463.282 4.310 50 10 JIGE Cc1oc(C)c(S(=O)(=O)N2C[C@@H](C)N(Cc3ccccc3)C[C@@H]2C)c1CBr 2179789922 XLQMCDKVYXSTTP-CABCVRRESA-N 455.418 4.075 50 10 JIGE O=C(NCC1(CCl)CC(F)(F)C1)c1cc(Br)ccc1I 2281665445 OPIYFRGBSOBQRN-UHFFFAOYSA-N 478.502 4.438 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)NCC1(F)CC(CBr)C1 2295308831 BHSHGEZZGVFHPC-UHFFFAOYSA-N 471.990 4.384 50 10 JIGE CCOC(=O)C(C#N)=C(O)c1ccc(N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@@H]3C2=O)cc1 2297551006 LLXYQOQESHNDOF-HDLCADABSA-N 490.515 4.439 50 10 JIGE CC(C)(CI)CN=[S@]1(=O)CC[C@]2(CCCN2C(=O)OC(C)(C)C)C1 2306815975 OCPAGFZGANSXKO-OSPHWJPCSA-N 470.417 4.089 50 10 JIGE CCCOc1ccc(C=C(C#N)C(=O)Nc2sc3c(c2C(=O)OC)[C@@H](C(=O)OC)CC3)cc1 2314736567 OHTXORMZCVGOAL-KRWDZBQOSA-N 468.531 4.072 50 10 JIGE CCN(CC)c1ccc(C=NNC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)cc1 2325903549 PIRGEHNYLXUGTP-UHFFFAOYSA-N 459.575 4.122 50 10 JIGE O=C(c1cc(I)ccc1Br)N1[C@H]2CC[C@H](C2)[C@@H]1CCl 2330990921 DUPODUUNDJUBBT-DVYJOKAKSA-N 454.533 4.286 50 10 JIGE COC(=O)c1c(NC(=O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)sc(C(C)=CC#N)c1C 2331560198 FXDFWZWEGWFOSD-FUHWJXTLSA-N 451.548 4.318 50 10 JIGE CC(C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2cccc(OCCc3ccccc3)c2)cc1 10333880 FEELTJLMHKCILH-UHFFFAOYSA-N 491.613 4.146 50 10 JIGE C/C(=N/NC(=O)COc1ccc(Br)cc1Br)c1ccc([N+](=O)[O-])cc1 12584112 GCZRPAPHDLUWDX-GRSHGNNSSA-N 471.105 4.039 50 10 JIGE C[C@H](Nc1ccc(F)cc1)C(=O)N/N=C/c1cc(Br)c(O)c(Br)c1 20311181 QCAQDUPOIAFAAJ-BERGCFNWSA-N 459.113 4.007 50 10 JIGE O=C(NNc1ncnc(N(Cc2ccccc2)c2ccccn2)c1[N+](=O)[O-])c1ccccc1F 40658224 PAPXBHHZGQODRS-UHFFFAOYSA-N 459.441 4.014 50 10 JIGE CC1(C)CC(Nc2ncnc(NNC(=O)C(c3ccccc3)c3ccccc3)c2N)CC(C)(C)N1 40760835 HPSOAGGGLVJEAJ-UHFFFAOYSA-N 473.625 4.055 50 10 JIGE O=C(CC[C@@H](O)c1ccccc1)N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 58886445 QOHQOYUDQNVNCV-MNQDVBFDSA-N 464.434 4.259 50 10 JIGE COC(=O)c1ccc(C(=O)OC)c(N/C=C(/C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 102420888 NCSRCPPRLQGYQU-PTNGSMBKSA-N 464.459 4.268 50 10 JIGE CCOc1cc(/C=N\NC(=O)c2cccn(Cc3cccc(C)c3)c2=O)cc(Cl)c1OC 169918114 FXYPVBAOASZPKN-WGARJPEWSA-N 453.926 4.030 50 10 JIGE CCc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OC)c([N+](=O)[O-])c2)cc1 208530187 YYKJRBXAMATMIG-ZSOIEALJSA-N 477.258 4.316 50 10 JIGE FC(F)c1nc(I)cc(I)c1CBr 238608042 QISRYKDUIBJMAY-UHFFFAOYSA-N 473.824 4.123 50 10 JIGE CC(=NNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccc2ccccc2c1 254382385 VNXIZKCQOSSAQW-UHFFFAOYSA-N 469.994 4.434 50 10 JIGE Cc1ccc(NC(=O)C(=O)NN=Cc2ccc(OC(=O)c3cccc4ccccc34)cc2)cc1 254490225 REFIDENGCQPRTK-UHFFFAOYSA-N 451.482 4.456 50 10 JIGE FC(F)(F)Oc1cc(CBr)nc(I)c1Br 396151047 FRULVLNJLWXVHG-UHFFFAOYSA-N 460.813 4.242 50 10 JIGE Cn1cc(Br)c([C@@H](Br)c2cc(Br)cc3c2OCC3)n1 693119386 BABSSDTZJOJMPK-NSHDSACASA-N 450.956 4.364 50 10 JIGE O=C(NCc1ccc(Cl)cc1)C(=O)NN=Cc1ccc(OCc2ccccc2Cl)cc1 1084087150 YYVMEUITFHMNIQ-UHFFFAOYSA-N 456.329 4.339 50 10 JIGE CC1=C(C(=O)NN=Cc2ccccc2Cl)[C@@H](c2ccc(Br)cc2)NC(=S)N1 1084154796 HYEGMHVFIVVHKT-QGZVFWFLSA-N 463.788 4.046 50 10 JIGE C=C(C)[C@H]1OCC[C@H]1CNC(=O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 1139374535 HDHQEOSEDARPHW-BKMJKUGQSA-N 451.683 4.051 50 10 JIGE C=C(C)[C@H](CC(=O)NNC(=O)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1)OCC 1349592502 ANBHXWFGJQNCDG-QHCPKHFHSA-N 457.530 4.133 50 10 JIGE CC(=O)CCc1ccc(OCC(=O)NNC(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc1 1568042479 MCYQTTZKLHJJCF-UHFFFAOYSA-N 458.729 4.400 50 10 JIGE Cc1c(C(=O)Oc2cccnc2)oc2c1C(=NNC(=O)c1ccccc1Br)CCC2 1772745620 DEXRZJQTQMZWMW-UHFFFAOYSA-N 468.307 4.435 50 10 JIGE COc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc([N+](=O)[O-])c2)CCC3)c(OC)c1 1772746468 VJGGKPARPQPCIX-UHFFFAOYSA-N 492.488 4.236 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)cc2)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1865714458 KSNSVRRQFJVHIJ-INIZCTEOSA-N 491.813 4.436 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)cc2)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1865715020 TULOTPZOJOIWON-HNNXBMFYSA-N 477.786 4.376 50 10 JIGE O=C(N[C@H](CBr)C[C@@H]1CCOC1)c1cc(Br)sc1Br 1883291582 GIDOFPBASRIUHL-YUMQZZPRSA-N 476.028 4.193 50 10 JIGE C[C@@H]1[C@H](Br)CCN1C(=O)c1cc(Br)ccc1I 1914448758 MPQOVIGLTUOGBP-GMSGAONNSA-N 472.946 4.052 50 10 JIGE CC[C@H](C)N(CCBr)c1ncc(I)cc1Br 1988539659 MJFRJSMZBPWSEX-QMMMGPOBSA-N 461.967 4.449 50 10 JIGE C[C@H](Br)[C@H]1CCN1C(=O)c1cc(Br)ccc1I 2011148433 GBPKFJNMGDOPRH-WRWORJQWSA-N 472.946 4.052 50 10 JIGE CC1(C)CN(C(=O)c2ccc(Br)cc2I)[C@@H]1CBr 2086145519 NKQDHVNCBPDDCS-LLVKDONJSA-N 486.973 4.299 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CCCC[C@@H]1CBr 2086150513 BVDSVFFBWLBPJQ-SNVBAGLBSA-N 486.973 4.443 50 10 JIGE Cc1cc(S(=O)(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)sc1CBr 2123242744 AIIGOBVBQAPZLN-INIZCTEOSA-N 457.459 4.237 50 10 JIGE O=C(c1ccc(Br)cc1Br)N1C[C@H]2CC(Br)C[C@@H]2C1 2128654634 JLUBWTMFUHYXIE-RKDXNWHRSA-N 451.984 4.457 50 10 JIGE C=C[C@@]1(CBr)COCCN1C(=O)c1scc(Br)c1Br 2135123930 YBEOMGVADCNHSR-GFCCVEGCSA-N 474.012 4.065 50 10 JIGE C[C@@H]1CN(Cc2ccccc2)CCCN1S(=O)(=O)Cc1ccc(CBr)cc1 2179787756 TYTQTJPPOQRLHH-GOSISDBHSA-N 451.430 4.008 50 10 JIGE CN(CC1(Br)CC1)S(=O)(=O)c1cc(CBr)c(Cl)cc1Cl 2196936001 APRMIJRNDBLCCL-UHFFFAOYSA-N 466.022 4.436 50 10 JIGE C[C@H]1Cc2cc(Br)cc([C@@H](Br)c3nn(C)nc3Br)c2O1 2235266741 WLEWDRBEDRYANO-QUBYGPBYSA-N 465.971 4.148 50 10 JIGE Cc1ccc(I)c(C(=O)N2[C@H]3CC[C@H]2[C@H](F)[C@@H](Br)C3)c1 2240925398 XWUJATCCGGSRSX-DTCNJJKHSA-N 452.105 4.078 50 10 JIGE COCCCN1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccccc4OC)cs3)cc2C1=O 2331281794 SALIHXGWJYQJNM-UHFFFAOYSA-N 475.526 4.401 50 10 JIGE COc1ccc(-c2csc(C(C#N)=C(O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n2)cc1Cl 2331399389 FRHYRWADOKJLSV-UHFFFAOYSA-N 496.888 4.469 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1C[C@H](Br)[C@H](C2CC2)C1 2340061882 SJPNXLMJYAFFGU-RYUDHWBXSA-N 454.533 4.190 50 10 JIGE O=C(c1c(F)cccc1I)N1CC[C@@H]2CC[C@@H](Br)[C@H]1C2 2359283319 BDBNPEVEYGEHPO-OPQQBVKSSA-N 452.105 4.208 50 10 JIGE FC(F)(F)c1cnc(N2CCC3CC2(CBr)C3)c(I)c1 2361632837 NBIPUXZQFJUFIK-UHFFFAOYSA-N 461.063 4.459 50 10 JIGE CCc1ccc(OCC(=O)NNC(=O)c2ccc(OCc3ccccc3)cc2)c(Br)c1 14027909 FXLSOFMTAVVEPV-UHFFFAOYSA-N 483.362 4.431 50 10 JIGE CCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc([C@H](C)CC)cc1 14032441 IHKJHLOONMUPHB-QGZVFWFLSA-N 457.596 4.094 50 10 JIGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1ccc(OCCC(C)C)cc1 14037191 UWHHTWRJYNLAEE-GOSISDBHSA-N 471.623 4.340 50 10 JIGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)N/N=C/c1cnn(C(C)C)c1 20827474 KQXNRFUGKNZWMC-FVWOBLMASA-N 487.033 4.138 50 10 JIGE COc1cc(/C=C(/C#N)c2nn(CCO)c(N)c2C#N)ccc1OCc1ccc(Cl)cc1Cl 33396226 YGCDVBTUCATVIS-PXNMLYILSA-N 484.343 4.288 50 10 JIGE COc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)Nc2ccccc2OC)cc1 39992859 CMHDKXFLTGHSAI-OBGWFSINSA-N 482.496 4.358 50 10 JIGE COc1cc([N+](=O)[O-])ccc1-n1nc(C)c(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2)c1C 59165279 WEPXVHXKLXYZLZ-VULFUBBASA-N 479.537 4.233 50 10 JIGE COCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)C1=O 101335546 QLIPTRRGTVXXJM-LFVJCYFKSA-N 482.540 4.177 50 10 JIGE CC(C)(C)[Si](OC[C@H]1[C@H](O[C@@H]2CCCCO2)C[C@@H]2OC(=O)C[C@@H]21)(c1ccccc1)c1ccccc1 196138832 KKUBBAJCNWPXGW-JBMSBTKCSA-N 494.704 4.426 50 10 JIGE in-vitro O=C(c1cc(I)ccc1Br)N1CC[C@H](CCBr)C1 232461946 GESQCLOGMZONBO-VIFPVBQESA-N 486.973 4.301 50 10 JIGE CCn1c(SCC(=O)NN=C/C(C)=C\c2ccccc2)nnc1-c1ccc(OC)c(OC)c1 254482389 LPOBETJPLSWPKB-GWBGUFDXSA-N 465.579 4.280 50 10 JIGE Fc1cc2c(cc1I)nc(CCl)n2C[C@H]1CN(Cc2ccccc2)CCO1 312456334 XWKATQWOVUUFAH-OAHLLOKOSA-N 499.755 4.420 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2CCC[C@H](Br)[C@H]2C)cc1Br 384427160 BPWOLLNIXXTYRD-ZJUUUORDSA-N 490.055 4.457 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1CCS[C@H](CCBr)C1 720042839 UPJVBXALBOXGGS-SNVBAGLBSA-N 474.589 4.287 50 10 JIGE CC(C)c1ccc(N(CC(=O)NN=Cc2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1 1084201099 DEJGYKNIDGANFI-UHFFFAOYSA-N 480.546 4.064 50 10 JIGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(F)cc2-c2ccc(F)cc2)cc1 1199940207 ZASUDSRRAMQLCS-OAHLLOKOSA-N 453.445 4.455 50 10 JIGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc3oc(CC(C)(C)C)nc3c2)cc1 1199983381 AINCOGBMDZAGIQ-OAHLLOKOSA-N 452.511 4.239 50 10 JIGE CCCCCN1C(=O)C(=NNC(=O)CCCCCNC(=O)c2ccccc2)c2cc(OC)ccc21 1772720684 RSDPYTLWRUXZDZ-UHFFFAOYSA-N 478.593 4.043 50 10 JIGE O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)N/N=C/c1ccc(Br)cc1F 1860772871 KBDWBIYVBCPDLR-YCPBAFNGSA-N 485.338 4.177 50 10 JIGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)c1O 1865683456 FAMACFUCWCRRMS-INIZCTEOSA-N 460.387 4.022 50 10 JIGE O=C(COc1ccc(C(=O)NC2CCCCC2)cc1)N/N=C/c1c(C(=O)O)[nH]c2ccc(Cl)cc12 1873497603 YAENAXFRKVPECX-UVHMKAGCSA-N 496.951 4.111 50 10 JIGE CN(C[C@@H]1C[C@@H]1Br)C(=O)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 1897167216 DABPCFHTQDDJGX-SFYKDHMMSA-N 481.431 4.072 50 10 JIGE CS(=O)(=O)C[C@H](Br)c1c(Br)sc(Br)c1Cl 1923067422 CGDIVPWEKBLKRX-VKHMYHEASA-N 461.422 4.407 50 10 JIGE Cn1nnc(Br)c1COc1c(Br)cc(Cl)cc1CBr 2089734294 GUDPZHFPQMVGOM-UHFFFAOYSA-N 474.378 4.467 50 10 JIGE CN(Cc1cn(C)nc1Br)c1ccc(Br)cc1CBr 2116625269 XBHFQUAIYHRIML-UHFFFAOYSA-N 451.988 4.476 50 10 JIGE Cc1cc(S(=O)(=O)N2C[C@@H](C)N(Cc3ccccc3)C[C@H]2C)sc1CBr 2123242900 CCTSXRBITADOFS-HZPDHXFCSA-N 457.459 4.235 50 10 JIGE CN(CC1CC(Br)C1)C(=O)[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)OC(C)(C)C 2196908390 XIFWBJLOQHJJMO-HHTDUIENSA-N 457.331 4.196 50 10 JIGE Cc1ccc(C(=O)N2CC[C@H](C(F)(F)CBr)C2)cc1I 2232843799 SPGQRPSPPGUPCS-NSHDSACASA-N 458.084 4.092 50 10 JIGE BrCC1[C@H]2CN(Cc3ccc(I)c(Br)c3)C[C@H]12 2306224320 PBHDYMYAKCUSTQ-GHMZBOCLSA-N 470.974 4.126 50 10 JIGE N#CC(=Cc1ccc(OC(=O)COc2ccc(Br)cc2)cc1)C(=O)NCc1ccco1 2314755050 PCJDEBLCHDLMRP-UHFFFAOYSA-N 481.302 4.250 50 10 JIGE C[C@@](CBr)(NC(=O)c1ccc(Cl)cc1I)C(F)F 2317774469 QJTPGVVSBBDMQI-NSHDSACASA-N 452.464 4.093 50 10 JIGE CC(C)(C)OC(=O)N[C@H]1C=C[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC1 2333266964 USZVWICSDKWLKB-FCHUYYIVSA-N 467.682 4.411 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1[C@H]2CC[C@@H]1C[C@H]2CBr 2355410523 CAXQSOFIGJUFPQ-XRNSZHNASA-N 488.039 4.148 50 10 JIGE CCc1cc(Br)c(OC)c([C@@H](Br)c2nn(C)nc2Br)c1 2381247116 SXRQNGNLCMKUGB-SNVBAGLBSA-N 467.987 4.395 50 10 JIGE COc1cc(/C=N/NC(=O)CNc2c(Br)cc(Cl)cc2Br)ccc1O 1434293 PHOWFSVDZYPZFY-QPSGOUHRSA-N 491.567 4.141 50 10 JIGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)c1cccc(Cl)c1 12486435 GLFVEXDAIMMDRN-UHFFFAOYSA-N 476.552 4.013 50 10 JIGE CC(C)CCOc1ccccc1C(=O)NC(=S)NNC(=O)[C@H](C)Oc1ccc2ccccc2c1 14034522 NWSHYPFTAKIIJK-SFHVURJKSA-N 479.602 4.368 50 10 JIGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc([N+](=O)[O-])cc2)c1 38654703 UTFRWLWOGATQPR-DEOSSOPVSA-N 457.442 4.106 50 10 JIGE COC(=O)c1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccccc1F)CCC2 40812423 JEGBKDOYGSPFEW-TURZUDJPSA-N 463.465 4.236 50 10 JIGE CCC[C@H](C)c1nc(N2CCCN(C(=O)[C@H](C)Cl)CC2)c2cnn(-c3ccccc3)c2n1 104924660 XWFNFLFABMIALV-ROUUACIJSA-N 455.006 4.385 50 10 JIGE CC(C)(C)NC(=O)c1ccc(C(=O)NNC(=O)c2cc(-c3ccco3)nc3ccccc23)cc1 109204547 CFVNEZCGVAXBIJ-UHFFFAOYSA-N 456.502 4.098 50 10 JIGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1CC[C@@H](CBr)C1 125915302 WJOCGEPSMJRCRS-ZETCQYMHSA-N 451.995 4.161 50 10 JIGE O=C(CCSc1ccc(Cl)cc1)NN=Cc1ccc(OCC(=O)N2CCCCC2)cc1 252626032 QUSXBNQQICUFBC-UHFFFAOYSA-N 459.999 4.364 50 10 JIGE O=C(NN=Cc1ccc(OC[C@H](O)Cn2c3ccccc3c3ccccc32)cc1)c1ccncc1 254877637 YPRYVYFOPSNVOI-JOCHJYFZSA-N 464.525 4.393 50 10 JIGE C[C@H](Br)c1cn(-c2cc(I)ccc2Br)nn1 300913047 SOXMILDJMXEMHD-LURJTMIESA-N 456.907 4.090 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2CC[C@@H](Br)C2(C)C)cc1Br 312785247 IENDFSDAPMNMCQ-GFCCVEGCSA-N 490.055 4.457 50 10 JIGE Nc1ccc(I)cc1[C@H]1CN(Cc2ccccc2)C[C@H]1CBr 382715883 KGDSUQVCIDFDPZ-PBHICJAKSA-N 471.180 4.484 50 10 JIGE Cn1cc([C@@H](Br)c2cc(I)cc3c2OCC3)nc1Br 698451944 VQUFEYPGOWLYED-NSHDSACASA-N 497.956 4.206 50 10 JIGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccccc2OCc2ccc3c(c2)OCO3)cc1 725397835 YNJULJSDMLYLHG-QHCPKHFHSA-N 476.529 4.357 50 10 JIGE COc1ccc(Br)cc1C=NNC(=O)[C@@H](C)Oc1ccccc1Br 1084218926 CKEMNMLGVLQOKM-LLVKDONJSA-N 456.134 4.138 50 10 JIGE C/C(=C/c1ccc(OC(F)(F)F)cc1)C(=O)NNC(=O)c1cc(-c2ccc(C)c(C)c2)[nH]n1 1137968980 ABKNJVLXASRSKJ-GDNBJRDFSA-N 458.440 4.457 50 10 JIGE Cc1c(C(=O)N2CCc3ccccc3C2)oc2c1C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772747382 PGCIYAHYKAIIKJ-UHFFFAOYSA-N 486.528 4.094 50 10 JIGE O=C(NNS(=O)(=O)c1ccc2nc(O)oc2c1)c1ccc(-c2ccc3ccccc3c2)s1 1860405376 LISSPFZRACAZMC-UHFFFAOYSA-N 465.512 4.038 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccn2)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865705944 KDLCJFDJARVLAW-AWEZNQCLSA-N 462.775 4.066 50 10 JIGE CCOc1ccc(/C=C/C(=O)NNC(=O)c2ccc(-c3ccc(F)cc3F)nc2C)cc1OC 1865759922 YQHDJCDMRYIVEC-WUXMJOGZSA-N 467.472 4.217 50 10 JIGE CN(CCN(CC(F)(F)F)CC(C)(C)CI)C(=O)OC(C)(C)C 1904649597 WDCRSMBZIQEHTI-UHFFFAOYSA-N 452.299 4.179 50 10 JIGE Cc1c(Br)sc([C@@H](Br)[C@H]2CCS(=O)(=O)C2)c1Br 1922943705 WNGSULWQBJYYIH-XPUUQOCRSA-N 467.042 4.452 50 10 JIGE CC1(C)CN(C(=O)c2cc(Br)ccc2I)[C@H]1CBr 2031679333 JTFDSYPWNVDBCI-NSHDSACASA-N 486.973 4.299 50 10 JIGE Cc1ccc(-n2nc(CBr)c(I)c2C(F)(F)F)c(O)c1 2079257628 AYMJDOLZEQJTAH-UHFFFAOYSA-N 461.019 4.405 50 10 JIGE Cn1nnc(Br)c1COc1c(Br)cc(CCl)cc1Br 2089732221 FSUAULRJVVAYBR-UHFFFAOYSA-N 474.378 4.420 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1CCC[C@](F)(CBr)C1 2101310787 OUZCPUASOIHTSK-ZDUSSCGKSA-N 460.512 4.284 50 10 JIGE O=C(N[C@H]1C[C@H]2C[C@H]1C[C@H]2Br)c1ccc(I)c(Cl)c1 2104410075 CLZZIENLLALSNP-COMAGPEQSA-N 454.533 4.236 50 10 JIGE C[C@H]1CN(S(=O)(=O)c2ccc(CBr)cc2)C[C@@H](C)N1C(=O)OCc1ccccc1 2106779424 OBDUIWBSJPLHSQ-CALCHBBNSA-N 481.412 4.002 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1CCC2(CC(Br)C2)C1 2117404869 QDZOCAGXBPEMQQ-UHFFFAOYSA-N 454.533 4.334 50 10 JIGE COCCN1C[C@@H](Br)[C@H](Cc2cc(Br)ccc2Br)C1 2118533526 ZYUIAEWYIPEXMW-BXUZGUMPSA-N 456.016 4.096 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC[C@H]2C[C@H]2C2CCOCC2)C1 2135993996 PUJWCHWVNLAUMJ-FUHIMQAGSA-N 479.399 4.270 50 10 JIGE C[C@@H]1CN(S(=O)(=O)c2cc(Br)ccc2Br)CC[C@H]1CBr 2165331570 URWBRGRCENVQIP-ZJUUUORDSA-N 490.055 4.253 50 10 JIGE O=C(N[C@@H](CBr)C[C@@H]1CCOC1)c1cccc(Br)c1Br 2195492785 MMDASHFPGNBPAW-VHSXEESVSA-N 469.999 4.132 50 10 JIGE Clc1cc(CN2C[C@@H](Br)C[C@]3(CCCO3)C2)ccc1I 2208035794 HSOSOQMOYRHSBN-SWLSCSKDSA-N 470.576 4.463 50 10 JIGE CC[C@@H]1[C@H](Br)CCN1S(=O)(=O)c1cc(Br)ccc1Br 2273188087 ADXXXOAJTGFQLC-MWLCHTKSSA-N 476.028 4.148 50 10 JIGE CC(C)(C)OC(=O)N[C@]12CCC(F)(F)C[C@H]1CN(C[C@H](Br)C(F)(F)F)C2 2344057095 MHJKYWSHZAXGQP-MJVIPROJSA-N 451.274 4.327 50 10 JIGE Clc1ccc(CN2C[C@@H]3OCCC[C@]3(CBr)C2)cc1I 2362376155 RIEKIDSDOWUQCO-GJZGRUSLSA-N 470.576 4.321 50 10 JIGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)COc2c(C)cc(Br)cc2C)c1 12490151 NJUDMDKJUKOSOJ-UHFFFAOYSA-N 463.372 4.103 50 10 JIGE COc1ccccc1/C(C#N)=C\c1ccc(OC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)cc1 31900697 YGSBJIGVTASNGF-STZPCZCHSA-N 452.466 4.349 50 10 JIGE CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 33959218 PEHAVMZQGYJKQJ-LQKURTRISA-N 492.528 4.403 50 10 JIGE Cc1ccccc1OCC(=O)N/N=C/c1ccc(SCC(=O)Nc2c(C)cccc2C)o1 59506425 CCKBCXVZGOYNEV-DHRITJCHSA-N 451.548 4.465 50 10 JIGE CC1(C)[C@H]2CC[C@@]1(C(=O)NNC(=O)Cc1ccccc1)c1nc3cc(Cl)c(Cl)cc3nc12 101106620 DLAPEKKIAKMCRL-BSEYFRJRSA-N 469.372 4.482 50 10 JIGE O=C1[C@@H](Br)CCN1c1c(Br)cc(Br)cc1Br 111218655 YVJMOMJCWHLRCC-LURJTMIESA-N 476.788 4.474 50 10 JIGE Cn1ccc(CC(CBr)(CBr)c2cccc(Br)c2)n1 213153203 DSPHWYYQXFQZOV-UHFFFAOYSA-N 451.000 4.453 50 10 JIGE C[C@@H]1CCN(C(=O)c2cc(Br)ccc2I)[C@H]1CBr 235333079 VSLIKGSRMKMNSR-PELKAZGASA-N 486.973 4.299 50 10 JIGE Cc1nnc(SCC(=O)NN=Cc2ccc(OC(=O)c3cccs3)cc2)n1-c1ccccc1 254381463 RARDQSWJOGALJV-UHFFFAOYSA-N 477.571 4.099 50 10 JIGE CCOC(=O)O[C@]1(C(=O)CCl)CC[C@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@@]21C 725239785 AXXPSUGJNHPWJA-WMOIDQOMSA-N 485.404 4.346 50 10 JIGE COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)OC(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)c1 855279649 BKWQZEVDHOMMLX-AZHVYHFMSA-N 465.550 4.333 50 10 JIGE Cc1cccc(NC(=O)CN(C)C(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)c1C 914462237 FAKPLNNZLGGUDN-JCMHNJIXSA-N 466.545 4.085 50 10 JIGE Cc1ccc(S(=O)(=O)Oc2ccccc2C=NNC(=O)CSCc2ccccc2)cc1 1081086809 OPMGOFGXAXTJCY-UHFFFAOYSA-N 454.573 4.146 50 10 JIGE COc1cc(C=NNC(=O)c2sc3nc(C)cc(C)c3c2-n2cccc2)c(OC)c2c1OCO2 1081098352 NTWJVVSUVTXHJH-UHFFFAOYSA-N 478.530 4.214 50 10 JIGE Cc1cc(C=NNC(=O)Cc2cccc(C(F)(F)F)c2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 1084403652 LPQIBUVWARELCE-UHFFFAOYSA-N 487.434 4.202 50 10 JIGE Cc1c(C(=O)NC2CC(C)(C)NC(C)(C)C2)oc2c1C(=NNC(=O)Cc1ccccc1)CCC2 1772750269 YKNLOVPHFAMJEP-UHFFFAOYSA-N 464.610 4.026 50 10 JIGE CCCc1nn(CC(C)C)c2c1[C@@H](c1cc(Br)c(O)c(OC)c1)C(C#N)=C(N)O2 1865689418 RSYCZBFRSGURLS-KRWDZBQOSA-N 461.360 4.186 50 10 JIGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@H](c2cccn2C)C(C#N)=C(N)O3)cc1 1865698825 DFBPTJRISRTAOB-QFIPXVFZSA-N 453.502 4.113 50 10 JIGE CCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865710044 NCOQYQKQFBNKER-NRFANRHFSA-N 493.907 4.045 50 10 JIGE COc1ccccc1-c1ccc(C(=O)N/N=C\c2cc(Br)c(O)c(OC)c2)c(C)n1 1865762718 YUBUOERXOCSVME-MSXFZWOLSA-N 470.323 4.306 50 10 JIGE O=C(N[C@H](CBr)C[C@H]1CCOC1)c1cc(Br)c(Br)s1 1883292485 MPUXCCBGXDDIJV-SFYZADRCSA-N 476.028 4.193 50 10 JIGE COC(=O)[C@@H](Br)CSc1cc(I)ccc1Br 1900792188 SNRDFSDQJQZSRO-QMMMGPOBSA-N 479.959 4.082 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CCC=C[C@@H]1CBr 2086138909 HWQQWGSSLDGICO-SNVBAGLBSA-N 484.957 4.219 50 10 JIGE O=C(N[C@@H]1C[C@H](CBr)[C@@H]2C[C@@H]12)c1cccc(Br)c1Br 2110549177 MAEWMMZAFJYPDU-DLYFRVTGSA-N 451.984 4.361 50 10 JIGE O=C(N[C@@H]1C[C@H](CBr)[C@@H]2C[C@@H]12)c1c(Br)cccc1Br 2110549350 MXKWNWDPKXVDPF-JXVAYASWSA-N 451.984 4.361 50 10 JIGE C[P@]1(=O)C[C@@H](Br)[C@@H](NC(=O)c2cc(Br)cc(Br)c2)C1 2121336575 HNXGHKBDUITWNY-FDMGOTLNSA-N 473.927 4.080 50 10 JIGE O=C(c1ccc(Br)cc1Br)N1C[C@@H]2CC(Br)C[C@H]2C1 2128654633 JLUBWTMFUHYXIE-IUCAKERBSA-N 451.984 4.457 50 10 JIGE O=C(c1ccc(I)c(O)c1)N(CCBr)Cc1ccsc1 2171085663 RHVMYNHYNUPSQX-UHFFFAOYSA-N 466.138 4.096 50 10 JIGE O=C(c1cc(I)ccc1O)N(CCBr)Cc1cccs1 2171090650 LYJKGXAMPKUMBD-UHFFFAOYSA-N 466.138 4.096 50 10 JIGE O=C(c1cccc(F)c1I)N1C[C@@H](Br)C2(CCCC2)C1 2174378983 JZAWPAWPENJVKJ-GFCCVEGCSA-N 452.105 4.210 50 10 JIGE CN([C@@H](CCBr)C(F)F)S(=O)(=O)c1cc(Br)ccc1Br 2178520498 KSFLPBQKMIRQCJ-VIFPVBQESA-N 499.997 4.251 50 10 JIGE FC(F)(F)c1cnc(N2C[C@H]3C[C@H](Br)C[C@H]3C2)c(I)c1 2185074942 REZQMBBVGUDRMI-MBTKJCJQSA-N 461.063 4.315 50 10 JIGE O=S(=O)(c1cc(CCl)ccc1Br)N1C[C@@H]2[C@H](CCN2Cc2ccccc2)C1 2188887275 RLLOLQIMWYUMGF-IEBWSBKVSA-N 469.832 4.083 50 10 JIGE CC[C@H]1CN(S(=O)(=O)c2cc(Br)ccc2Br)C[C@H]1CBr 2205682597 KJIUREREZVRWAZ-VHSXEESVSA-N 490.055 4.253 50 10 JIGE O=C(c1ccc(Br)cc1I)N1[C@H]2CC[C@H]1[C@@H](F)[C@H](Cl)C2 2207264522 GKAOWMSBONFVRO-JAAHAHCPSA-N 472.523 4.376 50 10 JIGE O=S1(=O)C[C@@H](c2sc(Br)c(Br)c2Br)[C@@H](Cl)C1 2212201703 ZONFGGPAJNTWIN-DMTCNVIQSA-N 473.433 4.155 50 10 JIGE CC(C)(C)OC(=O)Nc1ccc(OC(F)(F)F)cc1C(=O)NC[C@@H]1C[C@H]1Br 2237288569 CNEHMVRJQJERMK-JOYOIKCWSA-N 453.255 4.445 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1CC[C@@H]2[C@H](CBr)[C@H]2C1 2268347233 QXSIVYKVWUGGET-VWYCJHECSA-N 454.533 4.048 50 10 JIGE N#CC(=Cc1nn(Cc2ccccc2)cc1-c1cccnc1)C(=O)Nc1ccc2c(c1)OCCO2 2297391126 IGCVWSYPZVFKKJ-UHFFFAOYSA-N 463.497 4.310 50 10 JIGE CCCOc1ccc(C=NNC(=O)COc2ccc(C(=O)NCc3ccccc3)cc2)cc1OCC 2321698112 DEFDALMSPFSQOE-UHFFFAOYSA-N 489.572 4.333 50 10 JIGE N#CC(=Cc1ccc(Br)cc1)C(=O)Nc1c(Br)cccc1C(=O)O 2329662415 QOISCPKXSKKHJD-UHFFFAOYSA-N 450.086 4.455 50 10 JIGE Clc1ccc(CN2CC[C@@]3(C[C@H](Br)CO3)C2)cc1I 2337217873 BRQSGMWXNWLIFP-SMDDNHRTSA-N 456.549 4.073 50 10 JIGE C[C@H](Cl)C[C@@H]1CCCCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364194003 AMHDPUKUMMRZIL-ROUUACIJSA-N 455.020 4.045 50 10 JIGE Cc1cc(N(C)Cc2c(Br)c(Br)nn2C)ncc1CBr 2364335275 DSTYDAFZAAZRQE-UHFFFAOYSA-N 467.003 4.180 50 10 JIGE Clc1ccc(I)cc1CN1C[C@@H]2CC[C@H](CBr)O[C@@H]2C1 2380515441 PUIAGNWUHKQPJA-PSOPSSQASA-N 470.576 4.319 50 10 JIGE O=C(COc1ccc2ccccc2c1)NC(=S)NNC(=O)c1sc2ccccc2c1Cl 12502594 CDJPRXPVYLPOIQ-UHFFFAOYSA-N 469.975 4.422 50 10 JIGE Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=S)NC(=O)/C=C/c1cccc2ccccc12 12503487 CUJWQHBPGPPPPM-OUKQBFOZSA-N 495.004 4.256 50 10 JIGE CCN1C(=O)/C(=N/NC(=O)CCCOc2ccc(Cl)cc2Cl)c2cc(OC)ccc21 38180288 KRAVLTUWVKUQMX-LKUDQCMESA-N 450.322 4.048 50 10 JIGE CCOc1cc(/C=C2/C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCCC(C)C 38608925 WUAVIIZSDPZNDI-KGENOOAVSA-N 468.550 4.056 50 10 JIGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(OC)cc4)ccc32)c1 38684545 SYPNKGXMWIYAEU-MHZLTWQESA-N 484.508 4.463 50 10 JIGE CC(C)(c1ccccc1)c1ccc(OCC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 59153295 HUXNZOZVTSKPDU-MFKUBSTISA-N 462.462 4.358 50 10 JIGE COC(=O)c1cc(OC)c(OC)cc1N/C=C(/C#N)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 102419523 YJNLZLPBNSYOBG-KAMYIIQDSA-N 466.475 4.499 50 10 JIGE Cc1ccc(CNC(=O)/C(C#N)=C2/N=C(NC(=O)c3ccccc3Cl)c3ccccc32)cc1 102587295 GGBRAROTTYKWKB-XTQSDGFTSA-N 454.917 4.390 50 10 JIGE O=C(CN1C(=O)/C(=C\c2ccc(-c3ccccc3)o2)SC1=S)Nc1nnc(CCl)s1 211919189 VLELADKUIWFIAU-RIYZIHGNSA-N 476.992 4.377 50 10 JIGE COc1cc(/C=C2\C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 214331267 OYHNXOGTJUKCQP-QBXVKSGMSA-N 472.541 4.354 50 10 JIGE N#C/C(=C/N1CCN(C(=O)c2ccco2)CC1)C(=O)Nc1ccccc1Sc1ccccc1 217243963 QTNADTYNVCPICG-HNENSFHCSA-N 458.543 4.235 50 10 JIGE CO[C@H]1[C@@H](Oc2c(Br)cc([N+](=O)[O-])cc2Br)C[C@H]1Br 229271205 FQPMBCAXEZLEAJ-WCABBAIRSA-N 459.916 4.049 50 10 JIGE O=S(=O)(N[C@@H]1CCCC[C@@H]1CBr)c1cc(Cl)c(Br)s1 231621970 LDHVKPOMJUDEIV-VXNVDRBHSA-N 451.633 4.396 50 10 JIGE CCc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)Nc3cccc(Cl)c3C)cc2)cc1 252610331 IAKSPSRCQQCOAT-UHFFFAOYSA-N 492.963 4.317 50 10 JIGE CCn1c(SCC(=O)NN=Cc2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(C(C)(C)C)cc1 254479991 YVCDAFBLNOHXQO-UHFFFAOYSA-N 466.567 4.413 50 10 JIGE O=C(OCc1ccccc1)N1C[C@H](c2cccc([N+](=O)[O-])c2)[C@@H](CI)C1 382710029 XHTVAAZZMIXXSZ-FUHWJXTLSA-N 466.275 4.382 50 10 JIGE C[C@H]1CN(S(=O)(=O)c2cc(Cl)c(Br)s2)C[C@]1(C)CBr 694719046 ZPLBAXMMAAMJNE-CPCISQLKSA-N 451.633 4.206 50 10 JIGE C[C@@H]1CCN(C(=O)c2cc(I)ccc2Br)C[C@@H]1CCl 700415218 MFCDDORKOJHQLA-ZJUUUORDSA-N 456.549 4.391 50 10 JIGE Cc1cc(C(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)c2cnn(C(C)C)c2n1 775129960 OWKAKONSSTZNDT-UHFFFAOYSA-N 461.497 4.114 50 10 JIGE Cc1ccc(S(=O)(=O)Oc2ccc(C=NNC(=O)c3cccc(Cl)c3)cc2)cc1[N+](=O)[O-] 1082754360 GIRCGWWFYHHULO-UHFFFAOYSA-N 473.894 4.088 50 10 JIGE C=CCN(c1ccc(C(=O)NN=Cc2cccc(Cl)c2)cc1)S(=O)(=O)c1ccccc1 1084056297 AFOWONLWXKXJCS-UHFFFAOYSA-N 453.951 4.485 50 10 JIGE C=CCOc1c(I)cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1OCC 1084307902 HOQKJOPAYLYTMS-WQRHYEAKSA-N 488.325 4.478 50 10 JIGE C=CCn1c(CNc2ccccc2)nnc1S[C@@H](C)C(=O)NN=C(C)c1ccc([N+](=O)[O-])cc1 1084366788 KWBHRBBHPGPKMT-KRWDZBQOSA-N 479.566 4.005 50 10 JIGE COC(=O)c1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc(OC)c2)CCC3)cc1 1772750116 UQJVCCCOHUBSRM-UHFFFAOYSA-N 475.501 4.106 50 10 JIGE CCCc1nn(CC)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865705437 VXRQACMXKYWBON-QFIPXVFZSA-N 458.518 4.301 50 10 JIGE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1cc(OC)c(O)c(OC)c1)C(C#N)=C(N)O2 1865715216 ZHRATMKFYXPCJB-JOCHJYFZSA-N 460.534 4.052 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OCCOCc2ccccc2)C1 1880586118 YVIKMXVNKJPFEL-FQEVSTJZSA-N 475.367 4.425 50 10 JIGE N=[S@](=O)(C[C@H]1C[C@H]1Br)c1cc(I)ccc1Br 1900819477 DWVYHUMXLGNYKL-LTYMHZPRSA-N 478.975 4.243 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@@H]2CC[C@@]2(CBr)C1 1903983249 JLLWPIZMFZUJDF-LKFCYVNXSA-N 498.984 4.301 50 10 JIGE O=C(N[C@@H](CCBr)C(F)F)c1cc(Br)c(Br)s1 1918518023 BNVGNHHUUQMWFK-YFKPBYRVSA-N 455.944 4.422 50 10 JIGE O=C(N[C@@H](CBr)C(F)(F)F)c1cc(Br)c(Br)s1 1942837491 QVNHPYUIBABXEC-YFKPBYRVSA-N 459.907 4.329 50 10 JIGE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)C[C@H](CBr)CC1CC1 1961126090 LPYGFLNEURVFNI-KRWDZBQOSA-N 478.472 4.149 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1C[C@H]2C[C@H]1C[C@@H]2NC(=O)OC(C)(C)C 1985350818 WOFAFDUIGJBKSC-YVSFHVDLSA-N 461.694 4.174 50 10 JIGE N#CC(=C1N[C@](c2ccccc2)(C(F)(F)F)[C@H](C(=O)c2ccc3c(c2)OCO3)O1)c1ccccn1 2059835870 BCAPTEXZKPYRAM-UPVQGACJSA-N 479.414 4.332 50 10 JIGE Cc1cccc(O)c1-n1nc(CBr)c(I)c1C(F)(F)F 2079257913 DDGJDRLDQASVDD-UHFFFAOYSA-N 461.019 4.405 50 10 JIGE Clc1ccc(I)c(CN2[C@H](CBr)C[C@H]3OCC[C@H]32)c1 2090533521 FWKUZTYWDAYYEQ-IACUBPJLSA-N 456.549 4.071 50 10 JIGE C[C@H](Br)C[C@@H]1COCCN1Cc1ccc(I)c(Cl)c1 2142945653 XDZXHNANIMVCTF-CMPLNLGQSA-N 458.565 4.319 50 10 JIGE Cc1oc(C)c(S(=O)(=O)N(C)[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)c1CBr 2179791023 LTPDNOYAJVICRS-KBXCAEBGSA-N 455.418 4.075 50 10 JIGE CN(C1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)S(=O)(=O)[C@H]1CC[C@@H](CBr)C1 2179828754 TZUYKYGYAUWBRA-BKUVARHGSA-N 455.462 4.007 50 10 JIGE CC(C)(C)OC(=O)N1[C@H](CNS(=O)(=O)c2ccc(CBr)cc2)CCC1(C)C 2188467841 YJZRNZDZKFVHJX-HNNXBMFYSA-N 461.422 4.038 50 10 JIGE O=C(c1cc(Br)cc(Br)c1)N1CC[C@@H](OCCCBr)C1 2207042562 DEWHTSOKJHEKPT-CYBMUJFWSA-N 469.999 4.228 50 10 JIGE CN(C[C@@H]1C[C@H]1Br)C(=O)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229117487 ZZPLLDTYAOMQEG-IMJJTQAJSA-N 490.236 4.127 50 10 JIGE CN([C@@H](CBr)Cc1ccccc1)S(=O)(=O)[C@H]1C[C@H](OCc2ccccc2)C1 2296317384 JWDFUSORYDDKNA-NJDAHSKKSA-N 452.414 4.002 50 10 JIGE Cc1ccc(CNC(=O)C(C#N)=C2N=C(NC(=O)c3ccc(Br)o3)c3ccccc32)cc1 2296532752 WOKYDCMSWOYCNF-UHFFFAOYSA-N 489.329 4.092 50 10 JIGE COc1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccccc3C)nc3ccccn3c2=O)cc1 2296544539 XPXMORFBOPTPIF-UHFFFAOYSA-N 452.470 4.350 50 10 JIGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 2313545927 OTAXEAGJNHIXMC-UHFFFAOYSA-N 498.539 4.438 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1[C@H]2CC[C@H](C2)[C@@H]1CBr 2330991209 HSSUAOABZWPFRS-DVYJOKAKSA-N 498.984 4.442 50 10 JIGE Clc1ccc(CN2CCO[C@@H]3C[C@@H](Br)C[C@@H]32)c(I)c1 2341045990 DTTYMOZRDGHPJX-LEWSCRJBSA-N 456.549 4.071 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@H]2C[C@H](CBr)[C@H]2C1 2360163611 IWKPZUPUOZLXPD-JTNHKYCSSA-N 466.011 4.244 50 10 JIGE O=C(c1cccc(I)c1)N1CCC[C@H](Br)[C@@H]1C(F)(F)F 2370243560 OKGWGPFDQKAWKJ-WDEREUQCSA-N 462.047 4.222 50 10 JIGE O=C(COc1c(Cl)cc(Cl)cc1Cl)N/N=C/c1cc(O)c(O)c(Br)c1 822546 ZMRIWSSWDMYQBS-DENHBWNVSA-N 468.518 4.350 50 10 JIGE COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)OCC(=O)N3CCC(c4ccccc4)=N3)c2C)cc1 9222010 JSJKYTBNJJMKKY-XQNSMLJCSA-N 482.540 4.190 50 10 JIGE CC(C)COc1cccc(C(=O)NNC(=O)COc2ccc(C(C)C)cc2Br)c1 10280580 PFYHEHKURJDTCA-UHFFFAOYSA-N 463.372 4.447 50 10 JIGE CCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2cccc3ccccc23)cc1 14029776 FFXFGLWBLHFWHX-UHFFFAOYSA-N 465.575 4.123 50 10 JIGE CC(C)Oc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(C(C)(C)C)cc1 14668692 CJSUBAHKENXJBD-UHFFFAOYSA-N 492.439 4.483 50 10 JIGE COCCOC(=O)c1ccc(NC(=O)[C@H](Br)[C@H](Br)c2ccccc2)cc1 101648327 IYOFUTXUZDANDI-IAGOWNOFSA-N 485.172 4.328 50 10 JIGE COc1ccc(/C(C)=N\Nc2ccc(C(=O)N/N=C(\C)c3ccc(OC)cc3O)cc2)c(O)c1 102978804 CGQNJQSOXVRKCW-KXRVLRRCSA-N 462.506 4.105 50 10 JIGE O=C(CCCCCCCCC(=O)NN=Cc1cccc([N+](=O)[O-])c1)NN=Cc1cccc([N+](=O)[O-])c1 245266246 JKIGHVCIFRYFOO-UHFFFAOYSA-N 496.524 4.224 50 10 JIGE CC(=NNC(=O)COc1ccccc1[N+](=O)[O-])c1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1 252637241 XQLLRBJVNONBRI-UHFFFAOYSA-N 480.908 4.349 50 10 JIGE CCOc1cc(C=NNC(=O)c2ccccc2-n2cccc2)ccc1OS(=O)(=O)c1ccccc1 252642503 ZMHFCIBIHQIVRY-UHFFFAOYSA-N 489.553 4.408 50 10 JIGE O=C(COc1ccccc1[N+](=O)[O-])NN=C1C(=O)N(Cc2cccc3ccccc23)c2ccccc21 254703068 MGMPYPSSSLVSJD-UHFFFAOYSA-N 480.480 4.194 50 10 JIGE C[C@@H]1C[C@H](I)[C@@H](CI)[C@@H](C)N1C(=O)OC(C)(C)C 307742236 UJALOFWTHLDROB-ZNSHCXBVSA-N 479.140 4.259 50 10 JIGE C[C@@H]1CN(S(=O)(=O)c2cc(Cl)c(Br)s2)C[C@@H](C)C1Br 688092189 WBROIQMDKALYSH-RNFRBKRXSA-N 451.633 4.204 50 10 JIGE N#CCCn1cc(/C=C(/C#N)C(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)c(-c2ccccc2)n1 914467389 FYWMYVRBXQEQQY-PYCFMQQDSA-N 493.571 4.183 50 10 JIGE CC[C@H](CNC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1)N1CCc2ccccc2C1 914764215 BVRUUAIRRCEIMY-DBXPASCUSA-N 478.600 4.324 50 10 JIGE COCc1cc(C)nc(SCC(=O)NN=Cc2ccc(-c3cc(C(=O)O)ccc3Cl)o2)c1C#N 1084120651 HGCIACPNBCYBRB-UHFFFAOYSA-N 498.948 4.262 50 10 JIGE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=S)Nc1ccc(OC(C)C)cc1 1176933427 NJEICQKMUYNNFM-SFHVURJKSA-N 450.605 4.041 50 10 JIGE C#CC[C@]1(C(=O)NNc2ccc(Br)cc2CC)CCCN1C(=O)OC(C)(C)C 1631496551 JKRLJYHTQPBKIQ-OAQYLSRUSA-N 450.377 4.248 50 10 JIGE C#CC[C@]1(C(=O)NNc2c(Cl)cccc2Br)CCCN1C(=O)OC(C)(C)C 1641713264 PGVCGLPFXMMUGL-LJQANCHMSA-N 456.768 4.339 50 10 JIGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1cccc(OC)c1O)C(C#N)=C(N)O2 1865684077 MLJNZBUPSUEYFE-HXUWFJFHSA-N 450.926 4.470 50 10 JIGE Cc1ccc(-c2ccc(C(=O)NNC(=O)c3ccc4c(c3)C(=O)N(C(C)(C)C)C4=O)c(C)n2)cc1C 1865756236 NGFKSSBKORNWSY-UHFFFAOYSA-N 484.556 4.143 50 10 JIGE CCCC[C@H](NC(=O)CCS(=O)(=O)c1cccc(Cl)c1)C(=O)Nc1ccc(SC#N)cc1 1866886550 QAOFLZASNCMMRU-FQEVSTJZSA-N 494.038 4.391 50 10 JIGE CC(C)(C)OC(=O)N1C[C@H](I)[C@@H](OCCCOCc2ccccc2)C1 1880150298 XSKVTPLNQWFWHD-IRXDYDNUSA-N 461.340 4.033 50 10 JIGE CC(C)(C)OCCCO[C@]1(CI)CCCN(C(=O)OC(C)(C)C)C1 2010930294 NNGMHHHKLDKGEC-SFHVURJKSA-N 455.377 4.413 50 10 JIGE C[C@@H](Br)[C@H]1CCCN(c2ncc(I)cc2Br)C1 2015763180 VLUXMLDWQQSASX-BDAKNGLRSA-N 473.978 4.449 50 10 JIGE O=C(c1c(Br)cccc1Br)N1CCC(I)CC1 2021446418 ZJLJGAGFDCSVDI-UHFFFAOYSA-N 472.946 4.251 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CC=CC[C@@H]1CBr 2086152530 BXPMDGFUUJWNAZ-SNVBAGLBSA-N 484.957 4.219 50 10 JIGE C[C@H](NS(=O)(=O)c1cc(Cl)c(Br)s1)[C@@H]1CCC[C@@H]1Br 2111556514 ZKAQIOAXYNNKIS-FXQIFTODSA-N 451.633 4.394 50 10 JIGE Fc1cc2c(cc1I)nc(CCCl)n2CC1(Br)CC1 2111895616 FNKMAPDAJAWJGR-UHFFFAOYSA-N 457.512 4.489 50 10 JIGE CN1CCN(Cc2c(Br)cccc2Br)[C@H](CCBr)C1 2138068712 HJXQHDIIBMNCNW-LLVKDONJSA-N 455.032 4.113 50 10 JIGE C[C@@](CCl)(NC(=O)c1ccc(Br)cc1I)C(F)(F)F 2142285020 KKAAMTGMODMSMI-JTQLQIEISA-N 470.454 4.343 50 10 JIGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1C[C@@H]2C[C@@]2(CBr)C1 2146319618 GTOYAALDYXBHSS-JVXZTZIISA-N 464.006 4.161 50 10 JIGE CN([C@@H](CCCl)C(F)F)S(=O)(=O)c1cc(Br)ccc1Br 2178512334 VDCISZFZTOPSKB-VIFPVBQESA-N 455.546 4.095 50 10 JIGE CC[C@@H]1CN(S(=O)(=O)c2ccc(CBr)cc2C)CCN1Cc1ccccc1 2179788214 ZSCDLXVAGGNRDL-HXUWFJFHSA-N 451.430 4.175 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@@H]([S@@](C)(=O)=NCCCCCI)C1 2211183072 BQLVIQOCUSHAPR-QKFKETGDSA-N 458.406 4.089 50 10 JIGE O=C(CCCN1C(=O)C(=Cc2ccccc2Cl)SC1=S)NNC(=O)c1ccc(Cl)cc1 2296196306 ZTQHKDVUIRTPGA-UHFFFAOYSA-N 494.425 4.436 50 10 JIGE COc1ccc(CCN2C(=O)C(=CNc3cccc(C(F)(F)F)c3)C(C)=C(C#N)C2=O)cc1OC 2314585854 XVTREARFCOBGRA-UHFFFAOYSA-N 485.462 4.470 50 10 JIGE CCCCOc1ccc(CCC(=O)Oc2ccc(C=C(C#N)C(N)=O)cc2OC)cc1OCC 2314807856 CXPHUMMIPFGYJR-UHFFFAOYSA-N 466.534 4.203 50 10 JIGE COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1C=NNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 2321672341 SISLQNKQFVYIJV-UHFFFAOYSA-N 474.517 4.096 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1[C@H]2CC[C@@H]1[C@H](CBr)C2 2329072097 VYJAUFPXNJKTOO-OUJBWJOFSA-N 498.984 4.442 50 10 JIGE CS(=O)(=O)c1ccc2nc(NC(=O)C(C#N)=Cc3cccc(Br)c3)sc2c1 2329699452 AAXXQNHVDUOIML-UHFFFAOYSA-N 462.350 4.008 50 10 JIGE O=C(c1ccc(I)cc1)N1CC[C@H](Br)C[C@H]1C(F)(F)F 2361451834 DCHMQSRDHBPHNJ-ONGXEEELSA-N 462.047 4.222 50 10 JIGE Clc1ccc(CN2CC3(CCOCC3)[C@@H]2CBr)c(I)c1 2381029715 ABZRDJKOJJKFSE-AWEZNQCLSA-N 470.576 4.321 50 10 JIGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)c3cccs3)cc2)cc1 12502359 FJJZDDOTROYTPW-UHFFFAOYSA-N 480.615 4.247 50 10 JIGE O=C(COc1cccc2ccccc12)NNC(=S)NC(=O)c1sc2ccccc2c1Cl 12502551 QAOMVPNHMCEIRW-UHFFFAOYSA-N 469.975 4.422 50 10 JIGE O=C(COc1ccc(Br)cc1Br)NNC(=O)Nc1cccc(Cl)c1 13982559 WEEAHMYDPSCUSK-UHFFFAOYSA-N 477.540 4.097 50 10 JIGE Nc1c(NNC(=O)COc2ccc(Cl)cc2Cl)ncnc1Nc1cccc2ncccc12 40795495 HOUPFLOIGOGCGP-UHFFFAOYSA-N 470.320 4.180 50 10 JIGE Cc1c(C(=O)NCCc2cccs2)oc2c1/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)CCC2 40813100 HRXGGDIUSBODPC-XIEYBQDHSA-N 466.519 4.001 50 10 JIGE CS(=O)(=O)CCCC(CBr)(CBr)c1cccc(Br)c1 118671887 MQVORHXRSZQLIQ-UHFFFAOYSA-N 477.056 4.302 50 10 JIGE CCOC(=O)/C(C#N)=C(/Nc1ccccc1)SC(=O)/C=C\C(=O)Nc1ccc(OCC)cc1 210098485 AKIBLXJZXLAGGW-OFAGIYRUSA-N 465.531 4.250 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1CCC[C@@H](Br)CC1 378660923 BGMDCUVTMBYGQU-SECBINFHSA-N 476.028 4.150 50 10 JIGE O=S(=O)(N[C@H](CBr)C1CCC1)c1cc(Br)ccc1Br 717585363 XXCOPBRIOPIMGG-LLVKDONJSA-N 476.028 4.054 50 10 JIGE COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N[C@H](C(=O)OC)c2ccc(Br)cc2)c1C 748638421 IFHSRVYZJUBZRO-SOQHLKOYSA-N 488.382 4.012 50 10 JIGE Cc1cc(/C=C(\C#N)C(=O)N2CCC[C@@H]2C(=O)NCc2ccco2)c(C)n1-c1ccc(F)cc1 914581944 HDJHCDMDVURXID-FTAOIEMSSA-N 460.509 4.041 50 10 JIGE COC(=O)c1cccc(-c2ccc(/C=C(\C#N)C(=O)N3CCN(c4ccccc4)CC3)o2)c1C 1084291351 JUQVBZIVTPZCHJ-LVZFUZTISA-N 455.514 4.297 50 10 JIGE CC(=O)N1CCN(C(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)[C@H](C)C1 1543903034 OPQOCTMYCZWGQP-MBTVCVBTSA-N 458.484 4.099 50 10 JIGE Cc1ccc(C(=O)NNC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Cl)cc2)CCC3)cc1 1772744513 YQFSMXODRGNZFD-UHFFFAOYSA-N 478.936 4.095 50 10 JIGE O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)NNC(=O)C(c1ccccc1)c1ccccc1 1860771481 XYSQMJAQXPUCRM-UHFFFAOYSA-N 494.576 4.105 50 10 JIGE CCCOc1ccc(/C=N/NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1OCC 1860773806 FXEWCLFVWVMVFV-GHWHAAJHSA-N 496.633 4.482 50 10 JIGE CSCC[C@H](NC(=O)[C@H]1CCCN1Cc1ccccc1F)C(=O)Nc1ccc(SC#N)cc1 1866921059 XATLQKWRXXJXQJ-FCHUYYIVSA-N 486.638 4.240 50 10 JIGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1C[C@@H](Br)C1 1888778964 NBNAIKSDGMOFHG-ZSDSOXJFSA-N 457.368 4.346 50 10 JIGE C[C@H](Cl)C(=O)Nc1cc(Br)c(I)c(Br)c1 1931646699 DIPSPEWFOVLPNZ-BYPYZUCNSA-N 467.326 4.382 50 10 JIGE O=C(Cl)c1c(OC(F)(F)F)ccc(I)c1I 2060025415 QSMQNCMRRYSHHZ-UHFFFAOYSA-N 476.357 4.173 50 10 JIGE CCN(CC)S(=O)(=O)C[C@@H](Cl)c1ccc(I)c(Br)c1 2089395649 KQIXYCOIAGBVMV-LLVKDONJSA-N 480.593 4.005 50 10 JIGE CC1(C)CC(CBr)(NS(=O)(=O)c2cc(Cl)c(Br)s2)C1 2107265022 FISXQGNWQAHPFN-UHFFFAOYSA-N 451.633 4.396 50 10 JIGE BrC[C@@H]1CO[C@H]2CN(Cc3cc(Br)ccc3Br)C[C@H]12 2121585886 AYWNWAOCRVAODP-QKCSRTOESA-N 454.000 4.053 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@H]2C[C@H](Cl)C[C@H]2C1 2142278242 AIUYZZIWJLVQGE-JZYVYDRUSA-N 454.533 4.143 50 10 JIGE C[C@@H]1CN(C(=O)c2ccc(Br)cc2I)CC[C@H]1CCl 2142285259 NPOKFEGOUDLWAG-ZJUUUORDSA-N 456.549 4.391 50 10 JIGE O=C(c1cc(I)ccc1F)N1C[C@@H]2CCC[C@H](Br)[C@H]2C1 2169666212 SLKKITHEPLEJOG-XDTLVQLUSA-N 452.105 4.066 50 10 JIGE CCc1ccc(S(=O)(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)cc1CBr 2179861428 HFJXCIAOQAZFPM-HXUWFJFHSA-N 451.430 4.039 50 10 JIGE CC(C)(C)[C@@H]1[C@H](Br)CCN1C(=O)c1ccc(I)c(O)c1 2185100220 OEFNAVQRPCHLOZ-MFKMUULPSA-N 452.130 4.021 50 10 JIGE O=C(c1cc(Br)c(Br)s1)N1CCO[C@@H]2C[C@H](CBr)C[C@@H]21 2199763930 ZETXBCYHRSQONE-FKTZTGRPSA-N 488.039 4.288 50 10 JIGE C=CC[C@]1(CBr)CCCCN1C(=O)c1cc(I)sn1 2272173150 LRCASIZHGYGETA-CYBMUJFWSA-N 455.159 4.084 50 10 JIGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCC(=O)O 2313568595 UZYDLVRXFVFVPZ-UHFFFAOYSA-N 459.296 4.165 50 10 JIGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2cccc(Br)c2)cc1 2314785123 NZTZMFQYBCAJDP-UHFFFAOYSA-N 457.324 4.257 50 10 JIGE Clc1ccc(CN2C[C@@H]3CC[C@@H](CBr)O[C@H]3C2)c(I)c1 2366720490 FDQGCMMQGQQXEB-WHOFXGATSA-N 470.576 4.319 50 10 JIGE Cc1cc(C)cc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)S(=O)(=O)c2ccccc2)c1 2436942 CIMCIIVPKQBAGI-QNGOZBTKSA-N 457.511 4.442 50 10 JIGE CCOc1cc(/C=N/NC(=O)COc2cc(C)ccc2C(C)C)cc(I)c1O 3081196 BYMYGEYBLICPJO-FOKLQQMPSA-N 496.345 4.356 50 10 JIGE Cc1cc(Br)cc(C)c1OCC(=O)NNC(=O)C(c1ccccc1)c1ccccc1 12489940 TXKCNGNVLPJUPS-UHFFFAOYSA-N 467.363 4.424 50 10 JIGE COCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(OCc2ccccc2)cc1 14662661 YDOVQLGIFZBBDS-UHFFFAOYSA-N 499.361 4.128 50 10 JIGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)cc1 38676927 SNUMIEFAZHRNRB-VWLOTQADSA-N 471.469 4.360 50 10 JIGE CCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2cc(C)c(Cl)c(C)c2)c(OC)c1 40878091 NDRCRSGPRZVPNQ-WOJGMQOQSA-N 456.926 4.383 50 10 JIGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cc(Br)c(OCC)c(OC)c2)cc1 58892707 FRIDKJFNDYZUOC-OEBVFIGYSA-N 479.371 4.219 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CC[C@@H](CCBr)C1 232456751 GESQCLOGMZONBO-SECBINFHSA-N 486.973 4.301 50 10 JIGE O=C(c1ccc(I)c(O)c1)N(CCBr)Cc1ccccc1 236578958 DOAKMWMRPLXKOF-UHFFFAOYSA-N 460.109 4.034 50 10 JIGE COc1cc(C=NNC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OC(=O)c1ccc(C)cc1 254287855 DLTWZJOKSPRUJQ-UHFFFAOYSA-N 478.501 4.013 50 10 JIGE COc1cc(C=NNC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)ccc1OC(C)C 254592915 HMQSRUCKZHXRGW-UHFFFAOYSA-N 476.558 4.071 50 10 JIGE COc1ccc(OC)c(NC(=O)C(=O)NN=Cc2cc(C)n(-c3ccccc3C(F)(F)F)c2C)c1 254816300 LWASVBYNHXGJMF-UHFFFAOYSA-N 488.466 4.219 50 10 JIGE CN(C[C@@H]1CCC[C@@H]1Br)S(=O)(=O)c1cc(Cl)c(Br)s1 689297940 SSRPESPGCAFHOB-YUMQZZPRSA-N 451.633 4.348 50 10 JIGE O=S(=O)(N[C@H](CBr)CC(F)(F)F)c1c(Cl)cccc1Br 717832725 ZWDSMFAAOVDKTH-LURJTMIESA-N 459.509 4.097 50 10 JIGE Cc1cc(/C=C(/C#N)C(=O)Nc2nc(-c3c[nH]c(C(N)=O)c3)cs2)c(C)n1-c1ccc(F)cc1 897836924 ASGXNBWNWZGMBY-PXNMLYILSA-N 474.521 4.329 50 10 JIGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)[C@@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 914869964 KRVHTABKVLNVTM-MRXNPFEDSA-N 460.433 4.383 50 10 JIGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@@H](c2ccc(F)c([N+](=O)[O-])c2)C1 1614697158 ZRCCILOZNVZVTL-VXGBXAGGSA-N 450.248 4.119 50 10 JIGE C#CC[C@@]1(C(=O)NNc2ccc(Br)cc2CC)CCCN1C(=O)OC(C)(C)C 1631496550 JKRLJYHTQPBKIQ-NRFANRHFSA-N 450.377 4.248 50 10 JIGE O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21 1860822782 MYJVIJPTLSRMBT-YQNDKLHOSA-N 460.877 4.329 50 10 JIGE N#C/C(=C(/O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2ccc(Cl)cc2)cs1 1872748258 PPVFJEFURANVNF-VKAVYKQESA-N 466.862 4.461 50 10 JIGE CCN1CC[C@H]([C@@H](Br)c2cc(Br)cc(Br)c2)S1(=O)=O 2089524784 WXFBZBGEHYYSMH-NEPJUHHUSA-N 476.028 4.072 50 10 JIGE O=C(c1c(Br)cccc1Br)N1C[C@H](C2CC2)[C@@H](Br)C1 2094098855 JBDAAFNFTIGVSM-SKDRFNHKSA-N 451.984 4.457 50 10 JIGE O=C(c1scc(Br)c1Br)N1CCC[C@@H](OCCBr)C1 2113860007 YJRDBMFITMIQHH-MRVPVSSYSA-N 476.028 4.289 50 10 JIGE C[C@@]12CN(C(=O)c3ccc(Br)cc3I)C[C@]1(CCl)C2 2142285543 QPTIHIWHPAZHHJ-ZIAGYGMSSA-N 454.533 4.145 50 10 JIGE CC(C)(CBr)c1cn(Cc2ccc(I)c(Cl)c2)nn1 2142958905 SKDDIMSGVCXYIC-UHFFFAOYSA-N 454.537 4.257 50 10 JIGE ClCc1nc2ccc(Br)cc2n1CCn1cc(I)cn1 2153497480 AFQIMZFCYWXDAC-UHFFFAOYSA-N 465.520 4.039 50 10 JIGE CCC[C@@]1(NS(=O)(=O)c2ccc(CBr)cc2)CCN(C(=O)OC(C)(C)C)C1 2162600972 KJLCFBBBRNRFNV-LJQANCHMSA-N 461.422 4.040 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1[C@H]2CC[C@H]1[C@@H](F)[C@@H](Br)C2 2190680462 WMJZGBSOSVHBJM-VDUILEQBSA-N 472.523 4.423 50 10 JIGE CN(C[C@H]1C[C@H]1Br)C(=O)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229137066 XNNJRESWIYIKTJ-FVQBIDKESA-N 490.236 4.127 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)NCCCCI 2252800101 NTAHKFHKGMHLHD-UHFFFAOYSA-N 474.962 4.086 50 10 JIGE CC1(C)C[C@H](Br)CCN(C(=O)c2c(F)cccc2I)C1 2282805126 DIOYUUQZXOEAGJ-SNVBAGLBSA-N 454.121 4.456 50 10 JIGE O=C(O)c1ccc(C(=O)NN=Cc2ccc(OC(=O)c3cccc(Br)c3)cc2)cc1 2297681132 SJYSWWADCAXHPN-UHFFFAOYSA-N 467.275 4.130 50 10 JIGE COc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1cccc(C)c1C 2314737563 XGADMQHFVHISDI-UHFFFAOYSA-N 460.486 4.113 50 10 JIGE CCCCCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)C(N)=O)cc2OC)cc1OC 2314738085 HXLJOMALBGQVDE-UHFFFAOYSA-N 464.518 4.284 50 10 JIGE O=C(Oc1ccc(C=NNC(=O)c2nn(-c3ccccc3)c3c2CCC3)cc1)c1ccccc1 2323763159 SNVYRZWQJRJDAP-UHFFFAOYSA-N 450.498 4.344 50 10 JIGE CC(C)(CI)CN=[S@](=O)(CCNC(=O)OC(C)(C)C)c1ccccc1 2326669650 PGNHHSZBYVWIAM-VWLOTQADSA-N 480.412 4.499 50 10 JIGE O=C(N[C@H](CBr)c1cscn1)c1ccc(Cl)cc1I 2340051289 AJGPKYJPZJRVGQ-SNVBAGLBSA-N 471.545 4.267 50 10 JIGE CC(C)CCOc1ccc(C(=O)NNC(=O)CCCC(=O)OCCCc2ccccc2)cc1 14021895 UDBFKGYFTBKKGO-UHFFFAOYSA-N 454.567 4.219 50 10 JIGE C/C(=N\NC(=O)CNc1ccc(I)cc1)C12CC3CC(CC(C3)C1)C2 20158138 NCYVLGYVDHYKST-YDZHTSKRSA-N 451.352 4.412 50 10 JIGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNC(=O)c1ccccc1Br)c1nc3ccccc3nc12 35549128 QUQCORNJAGBXIJ-RPWUZVMVSA-N 479.378 4.183 50 10 JIGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OC)c2)cc1 38650227 ZHYAHKXNGCCECO-AREMUKBSSA-N 456.498 4.460 50 10 JIGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(F)cc4)ccc32)c1 38659739 XZKFGLVRHCZSRI-RUZDIDTESA-N 476.460 4.045 50 10 JIGE CCc1ccccc1Nc1ncnc(NNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1[N+](=O)[O-] 40587119 PTWHMMMQNJFTFE-UHFFFAOYSA-N 457.834 4.009 50 10 JIGE CC(=NNC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1)c1ccccc1O 254699289 BRVAJUAGKLZORJ-UHFFFAOYSA-N 465.575 4.251 50 10 JIGE C[C@H](Br)c1cnnn1-c1ccc(Br)c(I)c1 309406144 IBMIFCMBGKJALM-LURJTMIESA-N 456.907 4.090 50 10 JIGE C[C@H]1[C@H](CBr)CCN1C(=O)c1cc(Br)ccc1I 385771285 GSKBSBJFPUUTDD-IUCAKERBSA-N 486.973 4.299 50 10 JIGE FC(F)(F)Oc1cc(CBr)nc(Br)c1I 396185356 URSLEOJYRRHOGS-UHFFFAOYSA-N 460.813 4.242 50 10 JIGE CC[C@H]1CN(S(=O)(=O)c2cc(Br)ccc2Br)C[C@@H]1Br 399841763 GSEZIHWHBYNVFB-KWQFWETISA-N 476.028 4.006 50 10 JIGE COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N[C@H](C(=O)OC)c2ccc(Br)cc2)c1C 748638411 IFHSRVYZJUBZRO-MDJUHGFPSA-N 488.382 4.012 50 10 JIGE N#CCCn1cc(/C=C(\C#N)C(=O)N2CCC(C(=O)c3ccccc3)CC2)c(-c2ccccc2)n1 914467352 CKYNZQJNTFIPLS-HKOYGPOVSA-N 463.541 4.492 50 10 JIGE Cc1c(Br)ccc(N2C(=O)NC(=O)/C(=C/c3ccc(N(C)CCCl)cc3)C2=O)c1C 1083960221 FOEZPFVHZOVSJC-ATVHPVEESA-N 490.785 4.407 50 10 JIGE Cc1ccc(N2C(=O)[C@@H](/C=C(/C#N)C(=O)Nc3cccc(Cl)c3Cl)C(=O)NC2=S)cc1C 1084589254 RWOLVBXWADLKNU-CTXBLAANSA-N 487.368 4.063 50 10 JIGE C=CCn1cc(CNC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)nn1 1585550468 ODHPOEXOTBEZJQ-YVLHZVERSA-N 455.349 4.402 50 10 JIGE COc1ccc2[nH]cc(/C=N/NC(=O)Cn3cnc4sc(C)c(-c5ccccc5)c4c3=O)c2c1 1860773125 RNMRXXPANMANDA-KVSWJAHQSA-N 471.542 4.074 50 10 JIGE COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(C)cc2)cc1OC 1865711880 KNVYFWQYIHDCRC-IBGZPJMESA-N 486.450 4.444 50 10 JIGE CC[C@@](C)(NC(=O)C[C@@H](c1ccccc1)c1nnc(C)o1)C(=O)Nc1ccc(SC#N)cc1 1867027151 GRVQXOYOSDZNIP-GBXCKJPGSA-N 463.563 4.397 50 10 JIGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)c2ccc3oc(O)nc3c2)cc1 1867124916 XWEXLCJLSZTONH-FQEVSTJZSA-N 476.489 4.225 50 10 JIGE O=S(=O)(NCC1CC(Br)C1)c1c(Cl)cc(Br)cc1Cl 1887731608 QDSBKLYFTHBEBF-UHFFFAOYSA-N 451.995 4.208 50 10 JIGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)c1ccc(Br)cc1O 1916386139 JUAGGFOPUFYWRQ-OAHLLOKOSA-N 457.162 4.207 50 10 JIGE CC[C@H](C)[C@H](CI)NS(=O)(=O)c1cc(Cl)c(Br)s1 2081252848 BGVFHLFXHQBEJF-XPUUQOCRSA-N 486.622 4.292 50 10 JIGE O=S1(=O)CC[C@@H]([C@@H](CBr)Cc2ccc(Br)cc2Br)C1 2092260702 JSJTZBIEXAQIAC-GHMZBOCLSA-N 475.040 4.200 50 10 JIGE CC1(C)CCC[C@@]1(CBr)NC(=O)c1ccc(I)c(O)c1 2150547372 XPZQQGHTUPMNTL-HNNXBMFYSA-N 452.130 4.070 50 10 JIGE CN(C(=O)Cc1ccccc1I)C1(CBr)CC(C)(C)C1 2164566534 DYHMHUFFAYGOOH-UHFFFAOYSA-N 450.158 4.246 50 10 JIGE Cn1cc([C@@H](Br)c2cc3nc(O)[nH]c3cc2Br)c(Br)n1 2173183734 RKGWYZAWJKLGCK-JTQLQIEISA-N 464.943 4.011 50 10 JIGE CC[C@@H]1CN(S(=O)(=O)c2cccc(CBr)c2C)CCN1Cc1ccccc1 2179781021 UJTNTQPLRIMZPY-HXUWFJFHSA-N 451.430 4.175 50 10 JIGE CN(Cc1ccccc1)[C@@H]1CCCCN(S(=O)(=O)c2ccccc2CBr)C1 2179818837 DUXIFLRMIVNDLL-HXUWFJFHSA-N 451.430 4.257 50 10 JIGE Cc1cc(S(=O)(=O)N(Cc2ccccc2)C[C@H]2CCCO2)cc(CBr)c1F 2179861135 CSOYRZQQFLFMQS-GOSISDBHSA-N 456.377 4.399 50 10 JIGE C[C@H](Br)C[C@@H]1COCCN1C(=O)c1cc(Br)cc(Br)c1 2185319803 SJICRXPBWNVCRT-TVQRCGJNSA-N 469.999 4.226 50 10 JIGE O=C(N[C@@H]1C[C@H]2CC[C@H]1[C@@H](Br)C2)c1cccc(F)c1I 2204574503 MSVCFSJWEWGYHH-LKAMGYQZSA-N 452.105 4.112 50 10 JIGE CC1([C@@H](Br)c2cc(Br)c(Br)cc2F)CS(=O)(=O)C1 2218603838 OMTHULSOFGREMV-JTQLQIEISA-N 464.976 4.221 50 10 JIGE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)NCC1CC(Br)C1 2229106899 CHJQKWZSZYPPPS-BCLQGDPASA-N 490.236 4.175 50 10 JIGE O=S(=O)(c1ccc(CCBr)s1)N1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 2234715510 NICKDRAIDGEKQV-HDICACEKSA-N 469.470 4.113 50 10 JIGE CC(C)(C)OC(=O)N[C@H](C[S@@](C)(=O)=NC[C@]1(CBr)CC1(F)F)C(C)(C)C 2351892181 LURIOMQRQFXEHW-VEIJKPPYSA-N 461.413 4.444 50 10 JIGE COC[C@@]1(CBr)C=CCN1Cc1cc(I)ccc1Cl 2352416926 BNAJXDPQUZOJBR-AWEZNQCLSA-N 456.549 4.097 50 10 JIGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCCOCC)cc2)cc1 9822155 YFTWPTABAWWIHK-UHFFFAOYSA-N 487.622 4.010 50 10 JIGE Cc1ccccc1C(=O)Nc1cccc(C(=O)N/N=C/c2cc(Cl)cc([N+](=O)[O-])c2O)c1 13543989 BNBJEPHFXKGULO-WYMPLXKRSA-N 452.854 4.278 50 10 JIGE COc1ccc(/C=N/NC(=O)CCc2ccccc2)cc1CN1CCN(c2ccc(F)cc2)CC1 20615814 AOGLUKUELSIFOT-TWKHWXDSSA-N 474.580 4.239 50 10 JIGE COc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)cc(Br)c1OC 33959154 LAPQTJIONLNTIY-OWGFIJSYSA-N 455.736 4.346 50 10 JIGE CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)Cc3ccc(OC)cc3)ccc21 38650572 KQEWPHYWEYOZQP-SANMLTNESA-N 456.498 4.460 50 10 JIGE Cc1cc(/C=N/NC(=O)Nc2ccccc2Cl)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 59679093 MTKXBGYMULUWSW-BHGWPJFGSA-N 454.870 4.300 50 10 JIGE CCCCCCOc1ccccc1C(=O)/C=N/NC(=O)c1cc(-c2cccs2)nc(O)n1 169923590 HSBGTMZIJSNIEX-BUVRLJJBSA-N 452.536 4.468 50 10 JIGE COC[C@@](C)(CBr)N(C)C(=O)c1ccc(Br)cc1Br 689314170 NJSLLMZXVXVCSQ-CYBMUJFWSA-N 457.988 4.084 50 10 JIGE Cc1cc(Cl)cc(C)c1O[C@H](C)C(=O)NNC(=O)C1CCN(c2nc3ccccc3s2)CC1 727366434 ZOXCAIRYCZEZMY-MRXNPFEDSA-N 487.025 4.398 50 10 JIGE O=C(NNC(=O)c1ccccc1OCc1ccc(F)cc1)c1ccc(CNC(=O)C2CCCC2)cc1 727785484 ZHMBFFSSJSMXPF-UHFFFAOYSA-N 489.547 4.286 50 10 JIGE Cc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3cc(Br)ccc3O)cc2)cc1 1081086788 LHIOWYSLCZBFBF-UHFFFAOYSA-N 453.292 4.446 50 10 JIGE O=C(NN=C/C=C/c1ccccc1[N+](=O)[O-])/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 1082990317 HRIIGAYNVHHCKT-KMUFCDEUSA-N 485.456 4.089 50 10 JIGE O=C(NN=C(CSc1nc2ccccc2[nH]1)c1ccc(F)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1084171254 SSBAXNCHJFBHSS-UHFFFAOYSA-N 494.464 4.445 50 10 JIGE C#CCCCC(=O)NNC(=O)Nc1sc(-c2ccccc2)c(C)c1C(=O)N1CCCCC1 1465969774 BNVUEBFEGPXLTI-UHFFFAOYSA-N 452.580 4.306 50 10 JIGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@@H](c2ccc(OC)c(O)c2)C(C#N)=C(N)O3)cc1 1865682569 RRLKZZLNJHKUDU-QHCPKHFHSA-N 466.497 4.480 50 10 JIGE COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2Cl)cc1OC 1865710701 FOEANDLMPOWVBA-QFIPXVFZSA-N 466.925 4.137 50 10 JIGE N#C/C(=C\c1ccc(Br)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 1866128596 ASPOAACZZLKLCK-DTQAZKPQSA-N 483.347 4.191 50 10 JIGE COC[C@](C)(CCBr)NC(=O)c1cc(Br)c(Br)s1 2040243778 KVXWWKUKKSJUCM-NSHDSACASA-N 464.017 4.193 50 10 JIGE CCOc1cc(I)c(OC(F)(F)F)cc1C(=O)CBr 2055051816 CHBDBYFAVKOHAO-UHFFFAOYSA-N 452.992 4.166 50 10 JIGE C[C@@]1(CCBr)CCN1C(=O)c1ccc(I)c(Br)c1 2084697144 KBTFPMKXVAPWMB-CYBMUJFWSA-N 486.973 4.443 50 10 JIGE O=C(NC[C@H](CCl)C(F)(F)F)c1ccc(I)c(Br)c1 2105259702 QFAFCKJDHRNJHW-ZETCQYMHSA-N 470.454 4.201 50 10 JIGE O=C(N[C@@H]1CC[C@H]2C[C@@]21CBr)c1ccc(I)c(Cl)c1 2132114610 FHFFSBKPWPLKIX-MRCXROJRSA-N 454.533 4.238 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CC[C@H]2[C@H](C1)[C@@H]2CCl 2142278525 DTKZMKFAYZRUPQ-JLLWLGSASA-N 454.533 4.001 50 10 JIGE CC1(C)CCC[C@@]1(CBr)NC(=O)Cc1ccccc1I 2150545739 PSRVVVXCFZMCCV-INIZCTEOSA-N 450.158 4.294 50 10 JIGE CC1(CC(CBr)(CBr)c2ccc(Br)cc2)CS(=O)(=O)C1 2153385938 JTZPFLITCNHFBL-UHFFFAOYSA-N 489.067 4.302 50 10 JIGE CCN(CC)CCN(Cc1ccccc1)S(=O)(=O)c1cccc(CBr)c1C 2179778373 CKCJEIYYTMLWKP-UHFFFAOYSA-N 453.446 4.423 50 10 JIGE C[C@]1(C2CC2)CN(S(=O)(=O)c2ccc(CBr)s2)CCN1Cc1ccccc1 2179812133 MALGXCDMWVWYRJ-HXUWFJFHSA-N 469.470 4.318 50 10 JIGE C[C@H]1CCN(C(=O)Cc2cc(Br)cc(Br)c2)[C@@H]1CBr 2277930608 DWFGMJVCVMOOIX-TVQRCGJNSA-N 454.000 4.386 50 10 JIGE Cc1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)NCc2ccccc2)c(C)c1 2296720883 NEVHRTJLAVKWPA-UHFFFAOYSA-N 450.498 4.327 50 10 JIGE COc1ccc(C=NNC(=O)C(=Cc2ccccc2)NC(=O)c2ccccc2)cc1Br 2297604738 CCVYTFARMIAHDN-UHFFFAOYSA-N 478.346 4.379 50 10 JIGE C[C@]12CN(C(=O)c3ccc(Cl)cc3I)C[C@@]1(CBr)C2 2340065042 JBLJUGCFJXDVGG-KBPBESRZSA-N 454.533 4.192 50 10 JIGE COc1ccc(/C=N/NC(=O)COc2c(C)cc(Br)cc2Br)cc1OC 12482804 FTEWFVKBXNJGGM-ZVBGSRNCSA-N 486.160 4.066 50 10 JIGE Cc1ccc(C)c(O[C@@H](C)C(=O)NNC(=O)COc2ccc(C(C)C)cc2Br)c1 14008715 YFUCATJJFHKFHB-INIZCTEOSA-N 463.372 4.183 50 10 JIGE CCCCOc1ccc(C(=O)NNC(=O)CCC(=O)Nc2ccccc2Cl)cc1Br 14041275 LXXMJYFJGXBEQR-UHFFFAOYSA-N 496.789 4.461 50 10 JIGE O=C(Nc1ccccc1C(=O)N/N=C/c1ccccc1[N+](=O)[O-])c1ccc(Br)cc1 28284668 RWXRFWURWWZBIQ-YDZHTSKRSA-N 467.279 4.374 50 10 JIGE Cn1cc(CC(CBr)(CBr)c2ccc(Br)cc2)cn1 118671742 ZRZFLOFTXQRUMN-UHFFFAOYSA-N 451.000 4.453 50 10 JIGE CC(C)(C)OC(=O)N1C[C@@H](I)[C@H](OCc2ccccc2Br)C1 231319657 WMRAIUMJUYRSRJ-ZIAGYGMSSA-N 482.156 4.389 50 10 JIGE COC(=O)COc1ccc(C=NNC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1 254386971 LQBFUAQPOQVYRG-UHFFFAOYSA-N 492.479 4.150 50 10 JIGE FC(F)(F)Oc1c(I)cnc(CBr)c1Br 396178012 HMHGWHUSCQUUGN-UHFFFAOYSA-N 460.813 4.242 50 10 JIGE CC1(C)CN(C(=O)c2scc(Br)c2Br)C[C@H](CBr)O1 705421617 ZBTVSNFXXGFZTG-ZETCQYMHSA-N 476.028 4.288 50 10 JIGE C[C@H]1C[C@H](CCl)CN(C(=O)c2ccc(I)c(Br)c2)C1 721617196 WERDIIHTQYAULA-VHSXEESVSA-N 456.549 4.391 50 10 JIGE COc1cc(OC)cc(C(=O)NN=Cc2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)c1 725390159 WCEQPMJXFQDJMO-UHFFFAOYSA-N 467.909 4.139 50 10 JIGE N#CCCn1cc(/C=C(/C#N)C(=O)NCc2ccnc(N3CCCC3)c2)c(-c2ccc(Cl)cc2)n1 891235662 ANCVGYQOQIXLEV-QNGOZBTKSA-N 485.979 4.336 50 10 JIGE Cc1cc(C=NNC(=O)C(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc(Br)cc1 1084495574 YHCAMMGFMHFCLR-UHFFFAOYSA-N 457.303 4.085 50 10 JIGE C=CCc1ccc(OCC(=O)NNC(=O)c2cc3c(s2)CC[C@H](C(C)(C)C)C3)c(OC)c1 1135622435 KNVQJVVLPAWZFD-SFHVURJKSA-N 456.608 4.476 50 10 JIGE C#Cc1cccc(NC(=S)NNC(=O)CCCCC2CCN(C(=O)OC(C)(C)C)CC2)c1 1154054147 YMFHWNMICJZKTN-UHFFFAOYSA-N 458.628 4.193 50 10 JIGE CC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)NNc3c(C)cccc3Cl)cc2)cc1 1449699764 AWNWBLISVDFMBJ-UHFFFAOYSA-N 457.939 4.409 50 10 JIGE COc1cc2c(cc1OC)CN(C(=O)[C@H](Br)Cc1ccccc1Br)CC2 1858181031 DODCYGDRPGPNKI-QGZVFWFLSA-N 483.200 4.357 50 10 JIGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@@H](c2ccc(OC)c(OC)c2)C(C#N)=C(N)O3)cc1 1865707561 ZNUKRKPUNQWIAR-QHCPKHFHSA-N 481.512 4.178 50 10 JIGE COc1cccc(-c2csc(/C(C#N)=C(\O)CCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)c1 1872744057 FWRLOICOXFGCMD-MNDPQUGUSA-N 476.470 4.206 50 10 JIGE O=C(NNc1ccccn1)[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(C3CCCCCCCCCCC3)C2)C1 1872961615 MJVHRWRWXRIMSY-PKTZIBPZSA-N 497.684 4.285 50 10 JIGE C[C@@H]1C[C@H](CBr)CN1c1ncc(I)cc1Br 1988538483 SMBPEQYASDDCDM-HTQZYQBOSA-N 459.951 4.058 50 10 JIGE C[C@H](CBr)[C@H](C)NC(=O)c1ccc(Br)cc1I 2026219556 XDZBOKBRFDOOKC-SFYZADRCSA-N 474.962 4.203 50 10 JIGE CC[C@@H]1CN(C(=O)c2ccc(Br)cc2I)C[C@H]1Br 2086151528 OXAVNRXHANESCR-LDYMZIIASA-N 486.973 4.299 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@H](CBr)C2(CC2)C1 2087792887 QDMJAHURCGFMSP-VIFPVBQESA-N 498.984 4.301 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1CC[C@@H](CBr)C(F)(F)C1 2146375569 OVPHXJOMZOFNST-QMMMGPOBSA-N 478.502 4.437 50 10 JIGE CC[C@]1(CBr)COCCN1C(=O)c1cc(Br)ccc1Br 2169035088 XXKQFVARVADJDT-AWEZNQCLSA-N 469.999 4.228 50 10 JIGE Cc1cc(Br)c([C@@H](Br)[C@@H]2CCS2(=O)=O)c(C)c1Br 2220140043 CZGIXTAMOGSVCN-CABZTGNLSA-N 461.013 4.452 50 10 JIGE F[C@@H]1C[C@@H](Br)CN(c2ncc(C(F)(F)F)cc2I)C1 2226304912 FJRNATRJPALDJL-HTQZYQBOSA-N 453.015 4.017 50 10 JIGE C[C@@H](Br)[C@@H](NC(=O)c1ccc(Cl)c(I)c1)C(F)(F)F 2268352774 QLTWUAKNTGSGSJ-MLUIRONXSA-N 470.454 4.389 50 10 JIGE O=C(c1c(F)cccc1I)N1CCC[C@@H](CCCBr)C1 2282807014 IDCDJLKQXWEICY-LLVKDONJSA-N 454.121 4.458 50 10 JIGE CCc1ccc(C(=O)C=C2SC(=Nc3ccccc3C(=O)CBr)NC2=O)cc1 2323628463 MSWKDAHVKNOGEB-UHFFFAOYSA-N 457.349 4.444 50 10 JIGE C=C[C@@]1(CCl)COCCN1Cc1ccc(I)c(Br)c1 2349835589 XFXMIGJENJNMCJ-CQSZACIVSA-N 456.549 4.050 50 10 JIGE CCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)cc1 12500709 MOGBZPXEWYQOFY-UHFFFAOYSA-N 460.559 4.042 50 10 JIGE CC(C)COc1ccccc1C(=O)NNC(=O)COc1ccc2ccccc2c1Br 14034961 CWYKYPFHTOJHKG-UHFFFAOYSA-N 471.351 4.477 50 10 JIGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)cc1 38701360 BRYYQDOFDGKLOW-RPBOFIJWSA-N 470.481 4.049 50 10 JIGE COc1ccc(C)cc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 40814554 RTIZHYLGQZJAQG-TURZUDJPSA-N 490.516 4.465 50 10 JIGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C1/C(=O)N(CCN2CCCCC2)c2ccccc21 59155637 RBGNLQHDCCKVFX-VJIXSGFZSA-N 489.403 4.114 50 10 JIGE CCC(C)(C)C(=O)O[C@@H]1C[C@@H](C)[C@H](Cl)C2=CC(=O)[C@H](C)[C@H](CC[C@H]3C[C@@H](O)CC(=O)O3)[C@H]21 96031306 KKSVIGYDMGAPMK-BPQNSRQBSA-N 469.018 4.206 50 10 JIGE in-vitro CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(C(=O)O)cc2)cc1 96572061 WBMKKEJCMLVKLI-OUPLGOGSSA-N 484.556 4.152 50 10 JIGE CC(C)Oc1c(Br)cc(/C=N\NC(=O)c2ccccc2N)cc1Br 169893912 YWTKYGXLBSGWHX-NKVSQWTQSA-N 455.150 4.345 50 10 JIGE N#C/C(=C/N1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)NCCc1ccccc1 216693253 RHXKSEPZEPEXCL-VYIQYICTSA-N 450.586 4.160 50 10 JIGE CC[C@H](Br)c1cn(-c2cc(I)ccc2Br)nn1 304194391 JBYXYJDWDNLSTM-QMMMGPOBSA-N 470.934 4.480 50 10 JIGE CN([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(CCl)sc1Br 380879022 BFPSZNMJTCKREK-AWEZNQCLSA-N 463.850 4.144 50 10 JIGE COCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)c1C 789994831 ZWJSRMAVFOXSTK-JWGURIENSA-N 458.566 4.282 50 10 JIGE CC(=NNC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)c1ccc(C)cc1 1084254989 XMAUICHAXVAVPW-UHFFFAOYSA-N 455.967 4.384 50 10 JIGE CCN(CC)Cc1ccc(/C=N/NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 1860773926 KAZVVTGWSJFBAI-CHQVQAOYSA-N 479.650 4.136 50 10 JIGE CCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1cc(Br)c(O)c(OC)c1)C(C#N)=C(N)O2 1865689445 SDCMXOXMCONUIB-LJQANCHMSA-N 497.349 4.138 50 10 JIGE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1cc(OC)c(OC)c(OC)c1)C(C#N)=C(N)O2 1865693307 UPQFHWQNWFPKAH-NRFANRHFSA-N 480.952 4.391 50 10 JIGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cc(C)ccc2C)ccc1O 1865706098 NOBSGBMZCLBHQN-IBGZPJMESA-N 470.451 4.499 50 10 JIGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@@H](c2ccc([N+](=O)[O-])cc2)C(C#N)=C(N)O3)cc1 1865712524 ARKZBQALGXMJFJ-NRFANRHFSA-N 466.457 4.069 50 10 JIGE N#C/C(=C\c1ccc(Br)cc1)C(=O)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 1866368033 SXYFMLDRQCJVDH-ZBXXMNEPSA-N 450.380 4.481 50 10 JIGE CC[C@@H](Cl)CN(Cc1ccccc1)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 1915112008 XSGBEPMFXOGHJT-LJQANCHMSA-N 477.026 4.158 50 10 JIGE O=S(=O)(c1cc(CBr)oc1Br)N(Cc1ccccc1)CC(F)F 1984648875 HZQDKEQMUWXRBN-UHFFFAOYSA-N 473.133 4.393 50 10 JIGE BrCCC1CCN(c2ncc(I)cc2Br)CC1 2015758989 PCLVHIYBEOYTQU-UHFFFAOYSA-N 473.978 4.450 50 10 JIGE C=C(CBr)CCNC(=O)c1ccc(Br)cc1I 2026216542 GDJDDEMRWJCPND-UHFFFAOYSA-N 472.946 4.125 50 10 JIGE O=S(=O)(c1ccc(Br)c(CCl)c1)N1CCCN(Cc2ccccc2)CC1 2088574458 YMSCHQHTHZVELU-UHFFFAOYSA-N 457.821 4.085 50 10 JIGE O=C(c1cc(I)ccc1Br)N1[C@H](CBr)[C@H]2CC[C@@H]1C2 2122172061 CQFFOTITNBHWLN-IYYTYJHQSA-N 498.984 4.442 50 10 JIGE O=C(c1cccc(I)c1)N1CC[C@](CBr)(C(F)(F)F)C1 2167681901 YQGNBXKZLQBWLP-GFCCVEGCSA-N 462.047 4.081 50 10 JIGE Cc1ccc(I)c(C(=O)N2CC[C@@H](Br)C(F)(F)CC2)c1 2240906406 UREMJCQVJPEKCD-GFCCVEGCSA-N 458.084 4.234 50 10 JIGE Cc1ccc(I)c(C(=O)N2C[C@H](CCBr)C(C)(C)C2)c1 2240925617 PQJYIJYVQVDTFD-LBPRGKRZSA-N 450.158 4.483 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1C[C@H]2CC(Br)C[C@@H]2C1 2268343072 BBDWQFULUIRCSQ-NXEZZACHSA-N 454.533 4.190 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N1CCS[C@@H](CCBr)C1 2295317224 KCZUXNMXMJPLDB-ZDUSSCGKSA-N 486.067 4.483 50 10 JIGE O=C(NCCSCCCBr)c1cc(Br)ccc1Br 2314073825 ZZGVOODAKGCCDT-UHFFFAOYSA-N 460.029 4.460 50 10 JIGE N#CC(=Cc1ccc(OC(=O)COc2cccc(Br)c2)cc1)C(=O)NCc1ccco1 2314760375 NJDXKFNSBPVXHT-UHFFFAOYSA-N 481.302 4.250 50 10 JIGE COc1cccc(C=NNC(=O)[C@H](C)NC(=O)OC(C)(C)C)c1OCc1c(F)cccc1Cl 2328818708 RZHZDLWORQRYMH-AWEZNQCLSA-N 479.936 4.430 50 10 JIGE Cc1c(CCl)c(OCc2cc(I)ccc2Br)nn1C 2341781792 YFJFXUIODODEFK-UHFFFAOYSA-N 455.521 4.413 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OCc2cnc3c(c2)CCC3)C1 2342217611 FZAOSAXREAAEPW-FQEVSTJZSA-N 472.367 4.292 50 10 JIGE O=C(c1cccc(N2C(=O)CCC2=O)c1)N(/N=C/c1ccco1)c1nc2ccc(F)cc2s1 9148841 LPRRXFDVJJJGDT-DHRITJCHSA-N 462.462 4.363 50 10 JIGE C/C(N)=C(/C#N)C(=O)COC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12 9562819 LUQCAHUGIGLIBE-QGOAFFKASA-N 450.292 4.146 50 10 JIGE COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)c1C 22153018 BWTAIRAFXXZNAX-GNEHONMRSA-N 480.590 4.212 50 10 JIGE C[C@@H](C(=O)N/N=C/c1ccccc1OCc1ccc(Br)cc1)n1nnc2ccccc21 27569734 GVCWSPNJXDYXIY-MMDHUZEPSA-N 478.350 4.484 50 10 JIGE CCOc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccccc3)nc3ccccn3c2=O)cc1 33249071 MNBUDARCBGGKOQ-VLGSPTGOSA-N 452.470 4.431 50 10 JIGE Cc1ccc(Nc2ncnc(NNC(=O)c3ccc(Br)cc3)c2[N+](=O)[O-])cc1C 40590151 HQQXTTMHLCJBPQ-UHFFFAOYSA-N 457.288 4.265 50 10 JIGE Cc1c(C(=O)NCc2ccccn2)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 40811744 ABTCZRDUEYRWPX-OVVQPSECSA-N 481.350 4.146 50 10 JIGE CCOc1cc(/C=N/NC(=O)Cc2cccs2)c(Br)c(Br)c1O 96592693 CANNHSCCEZHVEW-QGMBQPNBSA-N 462.163 4.070 50 10 JIGE C=CCNC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(OC)cc1 101241676 LDDXFEOEJISIFU-LBMWUGKUSA-N 453.951 4.077 50 10 JIGE Cc1ccc(OC2CCN(C(=O)CCC(=O)C(C#N)=C3N(C)c4ccccc4N3C)CC2)cc1C 108863472 ZJQNPQYVQREWKT-UHFFFAOYSA-N 472.589 4.344 50 10 JIGE CCOc1ccc(CCN/C=C(/C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1OCC 217234561 PTCCZZGGWWQPQO-PEZBUJJGSA-N 458.902 4.224 50 10 JIGE Cc1ccc(C(=O)NCC(=O)NN=Cc2c(OC(=O)c3ccccc3)ccc3ccccc23)cc1 254398205 LCZXNOCQKWSHPX-UHFFFAOYSA-N 465.509 4.248 50 10 JIGE CCOc1ccc2ccccc2c1C=NNC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@H](C)C3 254657287 KORREVZVAFJJMH-INIZCTEOSA-N 474.586 4.285 50 10 JIGE Cl[C@H]1[C@H](Br)[C@H](Br)[C@@H](Cl)[C@H](Br)[C@@H]1Br 261511418 KEVIWEIHWVXBPD-XQVDCTMKSA-N 468.636 4.269 50 10 JIGE CC(C)[C@@H](CBr)CNC(=O)c1cc(I)ccc1Br 394178005 CMYXHRWLGIELMK-VIFPVBQESA-N 488.989 4.451 50 10 JIGE CC[C@H]1CN(S(=O)(=O)c2cc(Br)ccc2Br)C[C@H]1Br 399841758 GSEZIHWHBYNVFB-GZMMTYOYSA-N 476.028 4.006 50 10 JIGE C[C@@H](Br)CN(C1CC1)S(=O)(=O)c1cc(Br)ccc1Br 691351411 WUBHDRDQICWUGJ-MRVPVSSYSA-N 476.028 4.148 50 10 JIGE COCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)c1C 727414052 ZLBJLEVHDQMWGX-RPISRQAYSA-N 480.996 4.286 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2c(F)cccc2Cl)[C@H]1c1ccc(O)c(O)c1 1865680874 YRHWZXWVRSLUDD-INIZCTEOSA-N 480.805 4.372 50 10 JIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc3ccccc23)cc(OC)c1O 1865714352 IDEGHDJFFUDXCQ-HSZRJFAPSA-N 454.486 4.275 50 10 JIGE CC1(C)CN(C(=O)c2cc(Br)ccc2I)C[C@@H]1CCl 1914531464 LTFKBLRJSZTLRW-VIFPVBQESA-N 456.549 4.391 50 10 JIGE NC(=O)C(NC(=O)c1ccccc1)=C(c1ccccc1)P(=O)(c1ccccc1)c1ccccc1 2042434652 NVKYGRMUGLPCOE-UHFFFAOYSA-N 466.477 4.285 50 10 JIGE Cc1c(Br)sc([C@H](Br)[C@@H]2[C@H]3CS(=O)(=O)C[C@H]32)c1Br 2054218155 MRQCSTHJTDMVHH-UTSKPXGSSA-N 479.053 4.308 50 10 JIGE O=C(CCl)c1cc(OC(F)(F)F)cc(I)c1I 2060035557 LXXXGWGUKJRFEB-UHFFFAOYSA-N 490.384 4.216 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCNc1ncc(Br)cc1[N+](=O)[O-] 2061268324 RJNKNTAXNILCHO-UHFFFAOYSA-N 453.384 4.070 50 10 JIGE C[C@H]1[C@@H](CBr)CCN1C(=O)c1ccc(Br)cc1I 2086149160 KHOKNHBIINZSSK-DTWKUNHWSA-N 486.973 4.299 50 10 JIGE O=C(c1cccc(Br)c1Br)N1C[C@H]2[C@@H](Br)CC[C@H]2C1 2092335855 RKCFWXXSFJJUOK-GDPRMGEGSA-N 451.984 4.457 50 10 JIGE O=S(=O)(c1cc(CBr)cs1)N1CC[C@H]2CC[C@@H](C1)N2Cc1ccccc1 2123244065 RCUIBVAGFKRFMX-MSOLQXFVSA-N 455.443 4.071 50 10 JIGE C[C@@H](Br)Cc1cn(-c2ccc(C(F)(F)F)cc2I)nn1 2204130855 XEIKEFOAGJRZEU-SSDOTTSWSA-N 460.035 4.217 50 10 JIGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1COCCO1 2259999286 NXYNJPXTIQRANC-IONNQARKSA-N 450.899 4.341 50 10 JIGE CC[C@H]1[C@@H](Br)CCN1C(=O)c1cc(Br)ccc1I 2260380823 YBQONJAYQDXKTJ-JQWIXIFHSA-N 486.973 4.442 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1CC[C@@H](Br)[C@H]1C1CC1 2268350412 SHKMMOTYPYHMNQ-ZWNOBZJWSA-N 454.533 4.333 50 10 JIGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCCCn2ccnc2)cc1 2297454682 OVGBEIUBFPKOKL-UHFFFAOYSA-N 478.556 4.414 50 10 JIGE Cc1ccccc1CNC=C(C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324609769 DDYJLNKULYZTKQ-UHFFFAOYSA-N 450.586 4.426 50 10 JIGE O=C(N[C@H]1C[C@@H]2C[C@H]1C[C@@H]2Br)c1cc(Br)ccc1I 2330904799 XRLLHQOWKWYAOJ-BSCUDYGSSA-N 498.984 4.346 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1C[C@@H]2CC[C@@]2(CBr)C1 2340056667 IUKXPERASMXBIS-LKFCYVNXSA-N 454.533 4.192 50 10 JIGE CCO[C@H](CCl)/[S@](=N\S(=O)(=O)c1ccccc1)c1ccccc1I 3123916 ZXJBTHAZKWUVHT-HJPURHCSSA-N 497.807 4.442 50 10 JIGE CC(C)c1ccc(OCC(=O)NNC(=O)COc2cccc3ccccc23)c(Br)c1 12489251 FQBVILORGJBYQR-UHFFFAOYSA-N 471.351 4.331 50 10 JIGE C[C@@H]1CN(C(=O)CN2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)C(C)(C)CCl 34829890 IQMBVRQFDCUCOW-HXOBKFHXSA-N 492.060 4.159 50 10 JIGE CCN(c1cccc(C)c1)c1ncnc(NNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1[N+](=O)[O-] 40572479 NAZCOUPTSCEPLI-UHFFFAOYSA-N 471.861 4.170 50 10 JIGE COc1ccccc1C(=O)NNc1ncnc(NN(c2ccccc2)c2ccccc2)c1[N+](=O)[O-] 40646420 UIWHKWTWMGEJHS-UHFFFAOYSA-N 471.477 4.316 50 10 JIGE CCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)CCc2ccc(OCC)c(OC)c2)c(OC)c1 207168723 LHXJGDSLERVEIO-ZHZULCJRSA-N 466.534 4.074 50 10 JIGE Cc1cc(I)ccc1N/C=C(/C#N)C(=O)NCc1ccc(Cl)cc1 216949274 HCESVBLYLCRBGQ-KAMYIIQDSA-N 451.695 4.389 50 10 JIGE CC(C)Oc1ccc(C=NNC(=O)c2ccc(C(=O)NN=Cc3ccc(OC(C)C)cc3)o2)cc1 254700441 FIBSZKQQOQDDNT-UHFFFAOYSA-N 476.533 4.382 50 10 JIGE O=C(c1sccc1I)N(CCBr)Cc1ccccc1 390790272 VYXZYCYINRVHPD-UHFFFAOYSA-N 450.139 4.390 50 10 JIGE Cc1c(C(=O)O)cccc1-n1c(C)cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c1C 1083961600 YOVKBPTZSIQZGS-HAVVHWLPSA-N 468.557 4.357 50 10 JIGE Cc1ccccc1SCC(=O)NN=C1C(=O)N(Cc2cccc([N+](=O)[O-])c2)c2ccccc21 1084286251 DIYAAJACQQVPGB-UHFFFAOYSA-N 460.515 4.063 50 10 JIGE C=CCOc1c(Br)cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc1OCC 1084540801 AGLRTOXQEHUITL-IBGZPJMESA-N 461.356 4.377 50 10 JIGE COC(=O)NN=C(c1ccc(OC)cc1)[C@@H](c1ccc(OC)cc1)[C@H]1OC(=O)c2ccccc21 1088700192 ASDUSDVPCQVXER-VWNXMTODSA-N 460.486 4.459 50 10 JIGE C/C(=C/C(=O)NNc1ccccc1S(=O)(=O)NC(C)(C)C)c1ccccc1C(F)(F)F 1631072302 VLWPXABUMNYOMZ-YPKPFQOOSA-N 455.502 4.329 50 10 JIGE O=S(=O)(N[C@H](CCBr)C(F)F)c1c(Cl)cc(Br)cc1Cl 1918538977 ROGFHJOZLFDBIM-MRVPVSSYSA-N 475.964 4.453 50 10 JIGE BrC[C@@H]1CN(Cc2ccc(Br)cc2Br)C2(CC2)CO1 2127538443 LJUUOZLEUCWDQP-GFCCVEGCSA-N 454.000 4.340 50 10 JIGE O=S(=O)(c1cc(Cl)c(Br)s1)N1C[C@H](Br)CC2(CCC2)C1 2151347390 LCUNIIFMCSEBFG-MRVPVSSYSA-N 463.644 4.492 50 10 JIGE CC[C@]1(NS(=O)(=O)c2ccc(CCl)cc2)CCCN(C(=O)OCc2ccccc2)C1 2162588848 KNNZMGVATMTNMR-QFIPXVFZSA-N 450.988 4.285 50 10 JIGE Cc1ccc(S(=O)(=O)N2CCC(N(C)Cc3ccccc3)CC2)cc1CBr 2179793881 ZTOLMGRJWQEHTH-UHFFFAOYSA-N 451.430 4.175 50 10 JIGE O=[N+]([O-])c1sc(CBr)cc1N1CC[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2185514651 OPJHYMJRIOWAEE-MSOLQXFVSA-N 452.374 4.031 50 10 JIGE Cc1ccccc1Oc1nc2c(C)cccn2c(=O)c1C=C(C#N)C(=O)NCCc1ccccc1 2296542794 RUEICKHNIDHFRZ-UHFFFAOYSA-N 464.525 4.370 50 10 JIGE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)C(C#N)=C3Nc4ccccc4S3)cc2)C1 2297476684 IUCWAHAWAPQOON-HZPDHXFCSA-N 453.589 4.489 50 10 JIGE Cc1cc(Br)cnc1C(=O)N[C@@H](CCBr)COCc1ccccc1 2303537153 DWILBLFADQEIBA-INIZCTEOSA-N 456.178 4.253 50 10 JIGE CCCOc1ccc(C=NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1OCC 2325903206 FXEWCLFVWVMVFV-SJORKVTESA-N 496.633 4.482 50 10 JIGE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NN=Cc1c(C(=O)O)[nH]c2ccc(Cl)cc12 2328798594 SMXMDDHZIURIQA-IBGZPJMESA-N 484.940 4.106 50 10 JIGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccc(OC(=O)c2ccccc2)c(OC)c1 2328821146 QZLZJRFCOFUVNQ-JTSKRJEESA-N 483.565 4.304 50 10 JIGE C=CC[C@H](Br)[C@@H]1CCN1C(=O)c1ccc(Cl)c(I)c1 2335812140 YPSJKFWOHKUMAS-GWCFXTLKSA-N 454.533 4.499 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1C[C@H]2CC[C@H]1C[C@@H]2Br 2340059031 UTDQDFYJCBMNIM-QRTLGDNMSA-N 454.533 4.333 50 10 JIGE CC[C@H](C)c1ccccc1O[C@H](C)C(=O)NNC(=O)c1ccccc1I 9871090 YLMBSPPROKSLBM-UONOGXRCSA-N 466.319 4.033 50 10 JIGE O=C(COc1ccc(Cl)cc1Cl)NNC(=O)c1ccccc1OCCc1ccccc1 10508955 QJZUQKYNSIDJQE-UHFFFAOYSA-N 459.329 4.455 50 10 JIGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)/C=C/c2ccc(OC)c(OC)c2)cc1 14025630 FCMFGBMLFVTDLB-OQLLNIDSSA-N 485.606 4.012 50 10 JIGE COc1cc(-c2cc(CN(C[C@H]3CCCO3)C(=O)C(C)(C)CCl)no2)cc(OC)c1OC 34922313 UMJKOPCOYMNDON-QGZVFWFLSA-N 466.962 4.140 50 10 JIGE Cc1c(C(=O)NCCCn2ccnc2)oc2c1/C(=N/NC(=O)c1cccc3ccccc13)CCC2 40813524 VWBLEQUAFARXIL-JBASAIQMSA-N 469.545 4.228 50 10 JIGE C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1cc(C2CC2)nc2onc(-c3ccccc3)c12 107614358 LNEYHLWHOIZQIV-AWEZNQCLSA-N 460.465 4.135 50 10 JIGE N#C/C(=C/c1ccc(OS(=O)(=O)c2ccc3ccccc3c2)cc1)C(=O)NCc1ccco1 206959049 XBINULWKGKADFJ-STZFKDTASA-N 458.495 4.424 50 10 JIGE C[C@H](Br)C[C@@H](C)NS(=O)(=O)c1cc(Br)ccc1Br 228247386 LDXSTODFPRBYST-JGVFFNPUSA-N 464.017 4.052 50 10 JIGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccc(OC)cc3)cc2)cc1 254348594 DLMIATHXQWQOQD-UHFFFAOYSA-N 489.528 4.182 50 10 JIGE CCSc1nc(C)cc(OCC(=NNC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)n1 254646366 RVKIXLCZLMLJNK-UHFFFAOYSA-N 451.508 4.018 50 10 JIGE O=S1(=O)CC[C@H](C(CBr)(CBr)Cc2ccsc2Br)C1 388760951 UXVZDMPTJAZPNQ-JTQLQIEISA-N 495.096 4.264 50 10 JIGE CC[C@H]1CN(C(=O)c2cc(I)ccc2Br)C[C@@H]1Br 399975299 KTWREPZKHRUVTN-UFBFGSQYSA-N 486.973 4.299 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N[C@H](CCl)CC(F)F)cc1Br 717725304 XOJCXJUTSUJZNH-ZETCQYMHSA-N 455.546 4.061 50 10 JIGE COc1ccc(OC)c(C=NNC(=O)COc2cc(C)c(Cl)c(C)c2Br)c1 1772756518 JQSBIUOHNMYLRJ-UHFFFAOYSA-N 455.736 4.266 50 10 JIGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cc(-c3ccncc3)[nH]n2)cc1 1867162307 BYKSVARGHRCXCI-JOCHJYFZSA-N 468.542 4.025 50 10 JIGE BrC[C@@H]1CCN(Cc2ccc(I)c(Br)c2)C1 1904339172 PPVHNBDCRMKHMD-JTQLQIEISA-N 458.963 4.271 50 10 JIGE C[C@@H](CCBr)CCN(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C 1955956660 RLNPGMOBPLRJGG-INIZCTEOSA-N 466.461 4.149 50 10 JIGE O=C(N[C@H]1CC[C@H](CBr)C1)c1ccc(I)c(Br)c1 2029534951 LZYIGKDOVXYTEE-WPRPVWTQSA-N 486.973 4.347 50 10 JIGE O=C1c2ccccc2C(=O)N1CCc1nccn1-c1cc(Br)cc(F)c1CCl 2051131776 QCTMLSBLCYUBSQ-UHFFFAOYSA-N 462.706 4.351 50 10 JIGE C[C@@H](CCCCCI)NS(=O)(=O)c1cc(Br)cs1 2054171777 VUTBABHERHXGLT-VIFPVBQESA-N 466.204 4.173 50 10 JIGE CCC[C@@](C)(CBr)NS(=O)(=O)c1cc(Br)ccc1Br 2090406651 KLISGWKGYKVAJW-LBPRGKRZSA-N 478.044 4.444 50 10 JIGE Cc1cc(Br)c(NS(=O)(=O)N2CCC(Br)CC2)c(Br)c1 2162202898 XUUKMCYJEJKHCG-UHFFFAOYSA-N 491.043 4.036 50 10 JIGE O=C(c1cc(I)ccc1F)N1CC2(CCC2)C[C@@H]1CBr 2169665546 QAYFTPRBLYQMMP-LLVKDONJSA-N 452.105 4.210 50 10 JIGE Cc1cc(C(=O)N2CC[C@@H](CCBr)[C@H](C)C2)ccc1I 2207106664 YOJZQXOXAFWOHB-CHWSQXEVSA-N 450.158 4.483 50 10 JIGE CC1(C)CCN(Cc2ccccc2)CCN1S(=O)(=O)c1cccc(CBr)c1 2239857430 AOYYSBYICWNLMY-UHFFFAOYSA-N 451.430 4.257 50 10 JIGE CC(C)(C)OC(=O)N1C[C@H](Br)[C@@H](OCc2ccc(Br)cc2F)C1 2243291519 ZICWWXNKBMBHTB-JSGCOSHPSA-N 453.146 4.488 50 10 JIGE CC(C)(C)OC(=O)N1CCC(CI)(OC2(C3CCCC3)COC2)CC1 2260143127 UTOWWBUTQUWDIN-UHFFFAOYSA-N 465.372 4.167 50 10 JIGE C[C@H](Br)[C@H]1CCN(C(=O)Cc2cc(Br)cc(Br)c2)C1 2277936302 VEUPWBWWCPAQGD-ONGXEEELSA-N 454.000 4.386 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N[C@H]1C[C@@H]([C@@H](F)CBr)C1 2295311973 RIPZUMORYIGVAQ-BIMULSAOSA-N 471.990 4.382 50 10 JIGE COc1cc(C=NNC(=O)C(=Cc2cccs2)NC(=O)c2ccccc2Cl)ccc1O 2297450779 ABQBSBHIRKQRMB-UHFFFAOYSA-N 455.923 4.037 50 10 JIGE COc1ccccc1NC(=O)C(C#N)=Cc1c(Oc2ccccc2OC)nc2ccccn2c1=O 2314533649 SNHWTIXMEGSBLY-UHFFFAOYSA-N 468.469 4.050 50 10 JIGE O=C1c2ccccc2C(=O)N1CCCc1nccn1-c1ccnc(Cl)c1CBr 2321497773 LHQMIWPXTTZWKE-UHFFFAOYSA-N 459.731 4.044 50 10 JIGE CC(C)c1ccc(C=CC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 2325886249 VFMFWEKFMRQENC-SJORKVTESA-N 478.618 4.128 50 10 JIGE CC1CC(CBr)(CNC(=O)c2ccc(Cl)cc2I)C1 2340058016 MPMMHXWDYMTFQZ-UHFFFAOYSA-N 456.549 4.486 50 10 JIGE CN(C[C@H]1C[C@@H](Br)C1)[C@@H](CN)c1ccc(Cl)cc1I 2346312933 IAQMQPGAKHCBKG-RBZYPMLTSA-N 457.581 4.050 50 10 JIGE Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NN=C3C4CC5CC(C4)CC3C5)cc2)cc1 8685566 CHWMFIJYYQWXJW-UHFFFAOYSA-N 465.619 4.358 50 10 JIGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)CCC2CCCCC2)cc1 14029289 XVZPRAFSCWQDJB-UHFFFAOYSA-N 466.607 4.243 50 10 JIGE C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NNC(=O)COc1ccc(Cl)cc1Cl 14644255 QKQWAZGRJTWBCG-SECBINFHSA-N 496.572 4.403 50 10 JIGE CCCC(=O)Nc1ccc(C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 14649929 PJAMCDMGBMWBEU-UHFFFAOYSA-N 490.398 4.325 50 10 JIGE CCCCC(=O)Nc1ccc(C(=O)NNC(=O)c2cc(Br)ccc2OCCC)cc1 14652806 SIMKMZZWGDZNLR-UHFFFAOYSA-N 476.371 4.441 50 10 JIGE CC(C)Oc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(OCc2ccccc2)cc1 14664807 QCQICHKVTNQKQR-UHFFFAOYSA-N 463.559 4.002 50 10 JIGE CC[C@H](Nc1ccc(Br)cc1)C(=O)N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O 27498337 YIAZCNGXHWLGLI-IEEVUCOHSA-N 455.696 4.057 50 10 JIGE Cc1cccc(C)c1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc([N+](=O)[O-])c1 40527367 SVZHSMPMGUQNFF-DEOSSOPVSA-N 471.469 4.414 50 10 JIGE CCc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(O)c([N+](=O)[O-])c2)cc1 96838657 SZEAKLGUYQILJW-QPEQYQDCSA-N 463.231 4.013 50 10 JIGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc(F)cc3)cc2)cc1 254514218 NOEHVZZSMKOEIE-UHFFFAOYSA-N 450.466 4.363 50 10 JIGE CCOc1cc(C=NNC(=O)COc2cccc(C)c2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 254597604 KWWAODWIQSJHSO-UHFFFAOYSA-N 477.473 4.050 50 10 JIGE C=CCc1cc(C=NNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc(OCC)c1O 263631818 YAASDWOZMPBQSO-UHFFFAOYSA-N 455.514 4.138 50 10 JIGE Cc1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)cc1O 382680394 BVFYZAMXJHUODP-ZWKOTPCHSA-N 451.304 4.488 50 10 JIGE Cc1c(O)cccc1[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CI 382690455 IAFATHXPKAHHQR-WMZOPIPTSA-N 451.304 4.488 50 10 JIGE Cc1cccc(C(=O)NC2(CCBr)CCSCC2)c1I 719666114 OBIHGIAZSVKNOF-UHFFFAOYSA-N 468.198 4.380 50 10 JIGE O=C(OCc1ccccc1)N1C[C@H](CBr)[C@H](c2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)C1 725384269 VEZOVEDNVFJONF-HOTGVXAUSA-N 464.272 4.250 50 10 JIGE Cc1cccc(N(CC(=O)NN=Cc2c(F)cccc2Cl)S(=O)(=O)c2ccccc2)c1 1083970568 WQUUDHXZNUMIIS-UHFFFAOYSA-N 459.930 4.133 50 10 JIGE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 1139374539 HDHQEOSEDARPHW-NVQXNPDNSA-N 451.683 4.051 50 10 JIGE C=CCn1c(SCC(=O)NNc2cc(F)c(F)cc2F)nnc1-c1ccc(Cl)cc1 1631864913 LBNPWCHXXZFYMQ-UHFFFAOYSA-N 453.877 4.437 50 10 JIGE Cc1cccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4ccc5c(c4)OCCO5)c(C)c32)c1 1772743712 JUJIAZOHENPEIB-UHFFFAOYSA-N 459.502 4.390 50 10 JIGE Cc1ccc(C(=O)NN=C2CCCc3oc(C(=O)NCc4ccc5c(c4)OCO5)c(C)c32)cc1 1772745222 VNRQOLANGMHTOY-UHFFFAOYSA-N 459.502 4.026 50 10 JIGE COc1ccc2c(c1)c(/C=N/NC(=O)Cn1cnc3scc(-c4ccc(C)cc4)c3c1=O)cn2C 1860773258 UMXNHILWPBEJKB-IPBVOBEMSA-N 485.569 4.084 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(F)c2)[C@H]1c1ccccc1C(=O)O 1865703552 BDLAWAHDZPSMAB-INIZCTEOSA-N 458.371 4.006 50 10 JIGE CCN(CC)C(=O)COc1ccc(-c2c(C)sc(NC(=O)[C@@H](C)Cl)c2C(=O)OC)cc1 1865768892 JNSAZUDSCKTFIN-CYBMUJFWSA-N 466.987 4.323 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1C[C@@H]2CC[C@@]2(CBr)C1 1903982870 HFHSCYSXEDEHMB-IINYFYTJSA-N 454.533 4.192 50 10 JIGE O=C(NCC[C@H](Br)C1CC1)c1cc(Br)ccc1I 2029910453 BRVIUULACVAOIH-NSHDSACASA-N 486.973 4.347 50 10 JIGE CCOC(=O)Cc1cc(I)c(OC(F)(F)F)c(CBr)c1 2055272846 OPIMMTRFDPKQAQ-UHFFFAOYSA-N 467.019 4.190 50 10 JIGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC1(CBr)CCCCCCC1 2145920186 LLKPXNYBMWIJKW-UHFFFAOYSA-N 499.471 4.250 50 10 JIGE FC(F)(F)c1cnc(N2C[C@@H]3C[C@@H](CBr)[C@@H]3C2)c(I)c1 2174306145 DCQHSRBXHJJGGI-NRPADANISA-N 461.063 4.172 50 10 JIGE O=S(=O)(c1cc(CBr)sc1Br)N(CC(F)F)CC1CC1 2179791106 MUZJLLRBZIJXIT-UHFFFAOYSA-N 453.168 4.071 50 10 JIGE COc1ccc(Br)c(CBr)c1OCc1cnn(C)c1Br 2236038859 PBDXMZAFHWWLME-UHFFFAOYSA-N 468.971 4.428 50 10 JIGE Cc1cc(C(=O)N2C[C@@H](CCBr)C(C)(C)C2)ccc1I 2238467728 IQHDCMHLQMZHLU-CYBMUJFWSA-N 450.158 4.483 50 10 JIGE C[C@@H]1CN(C(=O)Cc2cc(Br)cc(Br)c2)C[C@H]1CBr 2277934734 KGHVHWOQVZNQCF-MWLCHTKSSA-N 454.000 4.244 50 10 JIGE COc1cc(C=NNC(=O)C(=Cc2ccccc2)NC(=O)c2ccccc2)cc(Br)c1O 2297620168 UKHPCRGSSIKDQD-UHFFFAOYSA-N 494.345 4.085 50 10 JIGE CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CO)O[C@H]1n1cnc2c(N)ncnc21 2297748820 GAMKBDYUNFPWRM-DZIWXPPMSA-N 495.773 4.079 50 10 JIGE C#CCOc1c(Br)cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OCC 2313567712 NAIQNXFXNRRWBU-UHFFFAOYSA-N 494.389 4.116 50 10 JIGE COc1cccc(NC(=O)C(C#N)=Cc2c(Oc3ccccc3C)nc3ccccn3c2=O)c1 2314533851 UHRCZSMHIQHLTH-UHFFFAOYSA-N 452.470 4.350 50 10 JIGE COCCCN1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc([N+](=O)[O-])cc4)cs3)cc2C1=O 2331279633 YBOGIDSWCIQTIP-UHFFFAOYSA-N 490.497 4.301 50 10 JIGE CC(C)(C)OC(=O)N1CCC(CC2CCN(CCOCCI)CC2)CC1 2351591477 VZHKLCZGQIHNKI-UHFFFAOYSA-N 480.431 4.187 50 10 JIGE COc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(OC)cc3)nc3c(C)cccn3c2=O)cc1 2417549 NSCWPQWXIWXDOC-SDXDJHTJSA-N 482.496 4.358 50 10 JIGE Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=S)NC(=O)c1ccc(Cl)cc1Cl 12501437 FRQBECPOMUHWKT-UHFFFAOYSA-N 487.796 4.010 50 10 JIGE CCOC(=O)c1ccc(OCC(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2C(C)(C)C)cc1 14661791 JRVUVESRSUKWQB-UHFFFAOYSA-N 484.593 4.064 50 10 JIGE COc1ccc(C(=O)NNC(=O)c2cc(Br)ccc2OCCc2ccccc2)cc1 14665523 VQKXJJYEHGIKJY-UHFFFAOYSA-N 469.335 4.154 50 10 JIGE N#C/C(=C/c1c(Oc2ccccc2Cl)nc2ccccn2c1=O)S(=O)(=O)c1ccccc1 33797656 GFQMBGDVXCHSPC-VKAVYKQESA-N 463.902 4.479 50 10 JIGE Cc1ccc2cccc(Nc3ncnc(NNC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)c3[N+](=O)[O-])c2n1 40626784 BXZIONWTTDXYQZ-UHFFFAOYSA-N 494.855 4.304 50 10 JIGE O=C(Cc1ccccc1)NNc1ncnc(NC(c2ccccc2)c2ccccc2)c1[N+](=O)[O-] 40650619 RATAEFWABZYYMK-UHFFFAOYSA-N 454.490 4.272 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1CCC(CCBr)CC1 401045253 VPAMKTRKWIKRHS-UHFFFAOYSA-N 490.055 4.397 50 10 JIGE CN(C[C@H]1CCCCN1Cc1ccccc1)S(=O)(=O)c1ccc(CBr)cc1 720027392 WISJXYALQHXIOK-HXUWFJFHSA-N 451.430 4.257 50 10 JIGE CC(=NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)[C@H]1C[C@@H]1c1ccccc1Cl 920358595 WKXHXEDPOVQBFJ-NHCUHLMSSA-N 459.999 4.424 50 10 JIGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCC#N 1084614548 KOZSOHUMIZBPLM-HXUWFJFHSA-N 456.340 4.044 50 10 JIGE CC(=O)c1cnc(NC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)s1 1147763568 DFMVYJDKEZROCD-OQLLNIDSSA-N 450.911 4.322 50 10 JIGE CCCCC1CCC(C(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)CC1 1860771625 BTFJPSMKPZNESW-KLAILNCOSA-N 458.628 4.042 50 10 JIGE CN(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)cc1 1865683133 GPOYDYPVCWZGBZ-SFHVURJKSA-N 457.431 4.373 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OCCOCc2ccccc2)C1 1880586119 YVIKMXVNKJPFEL-HXUWFJFHSA-N 475.367 4.425 50 10 JIGE O=C(NCCSCCBr)c1cc(Br)c(Br)s1 1899638095 IJRRCWQOCFDSSL-UHFFFAOYSA-N 452.031 4.131 50 10 JIGE CC(C)[C@@H](CBr)CN1CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC1 1955955578 GQECYFQLUGFOSJ-INIZCTEOSA-N 464.445 4.358 50 10 JIGE O=C(Cl)c1ccc(I)c(C(F)(F)F)c1I 2060047168 DZICSPCUYHQWBD-UHFFFAOYSA-N 460.358 4.294 50 10 JIGE FC(F)Oc1cc(I)c(I)c(CBr)c1 2060286580 BLHFKVRMEXKXDU-UHFFFAOYSA-N 488.835 4.392 50 10 JIGE O=C(NC[C@@H](Br)CC(F)(F)F)c1cc(Cl)ccc1I 2119066682 XTNGIDOEDXXJDO-LURJTMIESA-N 470.454 4.390 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CC[C@H](Br)[C@@H]2CC[C@@H]21 2133726319 KUTAGVFTNXIKSH-KWBADKCTSA-N 498.984 4.442 50 10 JIGE C[C@@H]1[C@H](C(F)(F)F)N(CC2(CBr)CCOCC2)CCN1C(=O)OC(C)(C)C 2172609602 NQFWPTXYIGBDNG-ZIAGYGMSSA-N 459.347 4.050 50 10 JIGE O=S(=O)(c1cc(CBr)cs1)N1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 2179815754 GJLGAUDWNRPTJB-MOPGFXCFSA-N 469.470 4.318 50 10 JIGE O=S(=O)(c1ccsc1CBr)N1CCC2(CCN(Cc3ccccc3)C2)CC1 2179869016 RQVAUROFHGWGHL-UHFFFAOYSA-N 469.470 4.320 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2CCC=C[C@@H]2CBr)cc1Br 2182346802 KIXFDVDWMIMRIN-SNVBAGLBSA-N 488.039 4.234 50 10 JIGE O=C(N[C@]1(CBr)C[C@H]2CC[C@H]1C2)c1ccc(F)cc1I 2283933838 SZIJHYMPCFMCJN-YHAQOWFVSA-N 452.105 4.114 50 10 JIGE O=S1(=O)C[C@H]2[C@@H](C1)[C@@H]2[C@@H](Cl)c1c(F)cc(Br)c(F)c1Br 2288347956 ZZIJYMFDIXFEAQ-HSJIAEGWSA-N 450.526 4.060 50 10 JIGE O=C(c1scc(Br)c1Br)N1C[C@@H]2CC[C@@H](CBr)O[C@H]2C1 2289335336 XXNQBBGWDXDBDT-NRPADANISA-N 488.039 4.288 50 10 JIGE O=C(NN=Cc1ccc(O)c(Br)c1)C(=Cc1cccs1)NC(=O)c1ccccc1 2296734166 IHFHMFMURHGQQZ-UHFFFAOYSA-N 470.348 4.137 50 10 JIGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1ncc(Br)cc1F 2303543835 VPPUEKPXQOSXGB-AWEZNQCLSA-N 460.141 4.083 50 10 JIGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2c(C)ccc(C)c2C)c(OC)c1 2314785086 DJZACQMCYMOVPZ-UHFFFAOYSA-N 450.535 4.428 50 10 JIGE COc1ccc(CCNC(=O)C(C#N)=CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 2324784624 OMGKXWANYXMSCW-UHFFFAOYSA-N 480.612 4.169 50 10 JIGE O=C(c1cc(Br)sc1Br)N1CC2(CC[C@@H](CBr)O2)C1 2336737661 HZKWWHQUJKSPLS-ZETCQYMHSA-N 474.012 4.042 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1CC[C@H](Br)CC12CC2 2340068160 KFOLORCBFMCMGX-VIFPVBQESA-N 454.533 4.477 50 10 JIGE COC[C@]1(CBr)C=CCN1Cc1ccc(I)c(Cl)c1 2351717508 JMGQFQPFNQHRSL-CQSZACIVSA-N 456.549 4.097 50 10 JIGE C[C@H](Br)C[C@@H]1COCCN1Cc1cc(I)ccc1Cl 2352414769 YEMWFXBKYRKQJK-GXFFZTMASA-N 458.565 4.319 50 10 JIGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1[C@H]2CS(=O)(=O)C[C@H]21 2365191252 MKWAXTIBYKLRSR-HJGGDWJDSA-N 491.014 4.386 50 10 JIGE CCc1ccc(OCC(=O)NNC(=O)COc2ccccc2[C@H](C)CC)c(Br)c1 13980391 LYDUILYWKKKSHL-OAHLLOKOSA-N 463.372 4.130 50 10 JIGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(C(C)(C)C)c(Br)c2)c(C)c1 13981122 NPCYZDIYEVQXIH-UHFFFAOYSA-N 492.439 4.078 50 10 JIGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)ccc1O 33406713 TUDCZQMEGLETKD-WJDWOHSUSA-N 461.440 4.192 50 10 JIGE COc1cccc(NC(=O)/C(C#N)=C\c2c(Oc3cccc(C)c3)nc3ccccn3c2=O)c1 39858620 GLAFOUQYFLKYER-JXAWBTAJSA-N 452.470 4.350 50 10 JIGE CCN(c1cccc(C)c1)c1ncnc(NNC(=O)c2ccccc2Br)c1[N+](=O)[O-] 40572471 SHPNMCCMRPYGFV-UHFFFAOYSA-N 471.315 4.371 50 10 JIGE COC(=O)c1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2C)CCC3)cc1 40811544 GIEYHATWYVSBLQ-VFCFBJKWSA-N 459.502 4.406 50 10 JIGE COc1ccc(CCNC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(F)cc2)CCC3)cc1OC 40811874 YQGXZZQZOZUECA-TWKHWXDSSA-N 493.535 4.187 50 10 JIGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cc3cc(Br)ccc3oc2=O)c(OC)c1 40841059 PWOAPOGYVQVZHD-OVCLIPMQSA-N 498.285 4.253 50 10 JIGE CCOC(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 59485077 XWARERITTPOSME-OVCLIPMQSA-N 461.268 4.415 50 10 JIGE O=C(Nc1ccc(N2CCCC2)c(S(=O)(=O)N[C@H]2CCCc3ccccc32)c1)C(Cl)Cl 103163863 CELARILEJRRCMB-SFHVURJKSA-N 482.433 4.385 50 10 JIGE N#C/C(=C/c1c(Oc2ccc(Br)cc2)nc2ccccn2c1=O)C(=O)N1CCCCC1 103872470 ZJRUBYQLFJMGLV-PEZBUJJGSA-N 479.334 4.169 50 10 JIGE CC(C)COc1ccccc1/C=N\NC(=O)c1ccc(Nc2nc3ccccc3c(=O)[nH]2)cc1 169927879 GRMZIOCITLDXGG-DICXZTSXSA-N 455.518 4.465 50 10 JIGE C/C(NNC(=O)c1cccs1)=C1\C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 205953215 CJFHMOSOFYBMMT-XMHGGMMESA-N 459.556 4.317 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CCCC[C@@H]1CBr 232460057 JYJPBSLAGGKMGH-SNVBAGLBSA-N 486.973 4.443 50 10 JIGE CC(=NNC(=O)COc1c(Br)cc(Br)cc1Br)c1ccco1 252595085 BYPWLHSZFDKPQR-UHFFFAOYSA-N 494.965 4.486 50 10 JIGE C[C@H]1[C@@H](CBr)CCN1S(=O)(=O)c1cc(Br)ccc1Br 385726725 SWSCYSRRNGPXEX-DTWKUNHWSA-N 476.028 4.006 50 10 JIGE CC[C@@H](Br)[C@H](C)NS(=O)(=O)c1cc(Br)ccc1Br 387358064 GWZMDUVHEFRCGZ-IONNQARKSA-N 464.017 4.052 50 10 JIGE COC[C@](C)(CBr)N(C)C(=O)c1ccc(Br)cc1Br 689314173 NJSLLMZXVXVCSQ-ZDUSSCGKSA-N 457.988 4.084 50 10 JIGE Cn1ccnc1CC(CBr)(CBr)c1ccc(Br)cc1 689541225 XNNOSWCOQWIQCN-UHFFFAOYSA-N 451.000 4.453 50 10 JIGE CCO[C@@H](CO[C@@](C)(CI)CN(CC)C(=O)OC(C)(C)C)C1CC1 703477664 DWBBTVWKRYIBNY-YJBOKZPZSA-N 455.377 4.269 50 10 JIGE CCOc1ccc(-n2c(C)cc(C=NNC(=O)C(=O)Nc3ccccc3Br)c2C)cc1 725418506 RVIGOHDYRGGXDL-UHFFFAOYSA-N 483.366 4.344 50 10 JIGE CCc1ccc(OCCCC(=O)NN=Cc2ccc(OC)c([N+](=O)[O-])c2)c(Br)c1 1772755461 ILDDMCAEOYIWBH-UHFFFAOYSA-N 464.316 4.238 50 10 JIGE COc1cccc(-c2ccc(C(=O)NNC(=O)CCc3ccccc3Br)c(C)n2)c1 1865758611 JEYYAHHIWIYEIU-UHFFFAOYSA-N 468.351 4.222 50 10 JIGE O=C(c1ccc(Br)cc1Br)N1C[C@H]2CC[C@@]2(CBr)C1 1903982177 CRFOEJMTBGBHQS-YMTOWFKASA-N 451.984 4.459 50 10 JIGE C[C@@H](Br)C1(NC(=O)c2ccc(I)c(Br)c2)CC1 1913498002 POZZBNHMFNSRDH-SSDOTTSWSA-N 472.946 4.100 50 10 JIGE BrC[C@@]12CC[C@H]1CN(c1ncc(I)cc1Br)C2 2021635886 SJEXWRXWXUKEAJ-QPUJVOFHSA-N 471.962 4.060 50 10 JIGE CCOC(=O)Cc1ccc(C(F)(F)F)c(I)c1CBr 2055275553 MBXTUVCJVNOPTB-UHFFFAOYSA-N 451.020 4.311 50 10 JIGE Cc1ccc(-n2nc(CBr)c(I)c2C(F)(F)F)c(C)n1 2078933800 XUKUFJYZZDMMPL-UHFFFAOYSA-N 460.035 4.402 50 10 JIGE CC[C@@H](CCCBr)NS(=O)(=O)c1cc(Br)ccc1Br 2097769780 KAWMZENYNJXKLC-JTQLQIEISA-N 478.044 4.444 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1[C@H]2CC[C@@H](C2)[C@H]1CBr 2122175385 HSSUAOABZWPFRS-GMOODISLSA-N 498.984 4.442 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@@H](Br)[C@@H](C2CC2)C1 2146835310 VDAGQSZBHDVLHW-ZYHUDNBSSA-N 488.039 4.006 50 10 JIGE C[C@H]1CN(S(=O)(=O)c2cc(Br)ccc2Br)CC[C@@H]1CBr 2165331569 URWBRGRCENVQIP-VHSXEESVSA-N 490.055 4.253 50 10 JIGE CN(Cc1ccccc1)C1CCN(S(=O)(=O)c2cc(CBr)ccc2F)CC1 2179778904 HMEQXVWUTHNOMQ-UHFFFAOYSA-N 455.393 4.006 50 10 JIGE CN(C[C@H]1CCCSC1)S(=O)(=O)c1cc(CBr)sc1Br 2179793860 ZPJJXOOMXFNFQU-SECBINFHSA-N 463.282 4.169 50 10 JIGE C[C@]12CN(Cc3ccccc3)C[C@]1(C)CN(S(=O)(=O)c1cc(CBr)cs1)C2 2179810983 IIUZGLJRKJAYFE-WOJBJXKFSA-N 469.470 4.176 50 10 JIGE Cc1cc(S(=O)(=O)N2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)sc1CBr 2179823107 FTSSQCQZJUUZOJ-ZWKOTPCHSA-N 469.470 4.094 50 10 JIGE O=S(=O)(c1cc(CBr)ccc1Cl)N1C[C@@H]2CCN(Cc3ccccc3)[C@H]2C1 2188883031 GHDSLCRXLBGOPT-HKUYNNGSSA-N 469.832 4.130 50 10 JIGE O=S(=O)(c1ccc(Cl)c(CBr)c1)N1C[C@@H]2[C@H](CCN2Cc2ccccc2)C1 2188885694 NOBVUHCTAAJUOZ-OXQOHEQNSA-N 469.832 4.130 50 10 JIGE CC(C)(C)OC(=O)N1CC[C@@H](C(F)(F)F)N(CCCCI)CC1 2243586287 NYBFVUKNVSZHJY-LBPRGKRZSA-N 450.283 4.075 50 10 JIGE COc1cc(COC2(CI)CCN(C(=O)OC(C)(C)C)CC2)cc(OC)c1 2283526758 CSNUNAXULGYPSM-UHFFFAOYSA-N 491.366 4.425 50 10 JIGE C=CC[C@@]1(CBr)CCCN1C(=O)c1ccc(F)cc1I 2287756485 WLDBFBULAJUXSH-HNNXBMFYSA-N 452.105 4.376 50 10 JIGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2cc(C)cc(C)c2C)c(OC)c1 2314785164 YKWIKSRXXZVIQA-UHFFFAOYSA-N 450.535 4.428 50 10 JIGE COc1cc(C=C(C#N)c2ccccc2)ccc1OC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 2318356221 AGTPCVKCRWLYFN-UHFFFAOYSA-N 462.527 4.229 50 10 JIGE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1c(O)ccc2cc(Br)ccc12 2328833163 PWYVTEWPHZKVLV-SFHVURJKSA-N 464.360 4.307 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1C[C@@H]2C[C@H](C[C@H]2Br)C1 2340067093 XTQXZAZAGOABPD-VDDIYKPWSA-N 454.533 4.190 50 10 JIGE O=C(N[C@H](CCBr)COCc1ccccc1)c1cc(Br)ccc1[N+](=O)[O-] 2343646604 MYXBJJPVSIMXQV-OAHLLOKOSA-N 486.160 4.458 50 10 JIGE C[C@H](Oc1ccc(Cl)cc1)C(=O)N/N=C/c1cc(Br)cc(Br)c1O 2839099 DUFAUOMHAPCLPW-BERGCFNWSA-N 476.552 4.488 50 10 JIGE CCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(NC(=O)CCC)cc1 14652707 IKWXIIINYTUYKZ-UHFFFAOYSA-N 462.344 4.051 50 10 JIGE CCOC(=O)c1cc2ccc(OC(=O)[C@@]34CC[C@@](C)([C@@H]3Br)C4(C)C)cc2oc1=O 33514193 AEMXTKFMGMNNLF-YUXAGFNASA-N 463.324 4.465 50 10 JIGE CCCN(Cc1cc(NC(=O)[C@@H](C)Cl)ccc1N(C)C)S(=O)(=O)c1ccc(F)cc1 34921732 DMTAUSOHJQEODR-OAHLLOKOSA-N 455.983 4.058 50 10 JIGE CC(C)(C)c1ccc2c(c1)O[C@@H](C(=O)N/N=C1\C(=O)N(CCc3ccccc3)c3ccccc31)CO2 102656937 ZNBWUZNFALVKIL-CGLBJELFSA-N 483.568 4.234 50 10 JIGE COc1ccc(/C=C2/N=C(SCC(=O)/C(C#N)=C(\C)N)N(c3cc(C)cc(C)c3)C2=O)cc1 104678507 ZHRWUOLASSMCBK-GPPBIMRMSA-N 460.559 4.114 50 10 JIGE CCCOc1c(/C=N\NC(=O)c2cccn(Cc3ccccc3Cl)c2=O)cccc1OC 169920761 FJJHMWHQZDLZNC-YSMPRRRNSA-N 453.926 4.111 50 10 JIGE O=C(NN=Cc1ccccc1C(F)(F)F)c1ccc(NS(=O)(=O)c2cccs2)cc1 263627687 IJKGIEDGKAIDNM-UHFFFAOYSA-N 453.467 4.332 50 10 JIGE Cc1ccc(-n2nc(C)c(CC(=O)NNC(=O)c3cc(F)ccc3Br)c2C)cc1Cl 728547474 RLPJECIWYQFPDU-UHFFFAOYSA-N 493.764 4.356 50 10 JIGE CCN1C[C@@H](CN(C)C(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)Oc2ccccc21 915287407 DLBFRDBWWZQHMB-GOOXQAOHSA-N 480.572 4.117 50 10 JIGE CCn1nc(C(=O)NNC(=O)N[C@H](c2ccc(C(C)C)cc2)c2cccs2)c2ccccc2c1=O 916204988 CHAGOWMJGIEYIS-JOCHJYFZSA-N 489.601 4.335 50 10 JIGE Cc1cc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)n1-c1cccc([N+](=O)[O-])c1 1084277853 PHNIQCDBWLFQCK-UHFFFAOYSA-N 468.513 4.389 50 10 JIGE COc1ccc(Br)cc1C=NNC(=O)CSc1nc2ccc([N+](=O)[O-])cc2s1 1084513954 SEUVLSFTJJICTJ-UHFFFAOYSA-N 481.353 4.218 50 10 JIGE C#C[C@H](NC(=O)/C(C#N)=C\c1cc(C)n([C@H](C)COC)c1C)c1ccc(Br)cc1 1436651193 LXUVJDYPRZSVJQ-JALZVCJOSA-N 454.368 4.473 50 10 JIGE Cc1nn(Cc2ccccc2F)c2c1[C@@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865702126 NJSCBBSDQSHBET-IBGZPJMESA-N 457.278 4.499 50 10 JIGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865715137 WZPXHVANQSOXMZ-LJQANCHMSA-N 451.870 4.310 50 10 JIGE CC(C)(C)OC(=O)N[C@@H](CBr)Cc1ncc(Br)cc1Br 1882086655 DCAPVLRVKDPNCV-SECBINFHSA-N 473.003 4.437 50 10 JIGE BrC[C@@]1(Cc2ccc(I)c(Br)c2)CCOC1 1904344743 XZSNGPMSIBZAGP-LBPRGKRZSA-N 459.947 4.398 50 10 JIGE Cc1nn(C)c(C(=O)N(Cc2ccccc2)[C@H](CBr)C2CC2)c1Br 2017375747 BNZCJXAJNJJPEC-OAHLLOKOSA-N 455.194 4.307 50 10 JIGE C[C@@H](Br)[C@@H]1CCCN1C(=O)c1cc(I)ccc1Br 2073313162 SFTOQWUZKIDREQ-PELKAZGASA-N 486.973 4.442 50 10 JIGE Oc1ccc(Cn2nc(CBr)c(I)c2C(F)(F)F)cc1 2079239711 DNYDMEWZHIZHGL-UHFFFAOYSA-N 461.019 4.155 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H](Cl)[C@@H](C2CC2)C1 2090672918 CDYASVHPNSNFDH-ZYHUDNBSSA-N 454.533 4.143 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H]2C[C@H](C[C@@H]2Br)C1 2107286898 VLTPHGXSYXWZOJ-MIMYLULJSA-N 498.984 4.299 50 10 JIGE O=C(N[C@H](CCCl)C(F)(F)F)c1ccc(Br)cc1I 2142280623 GNWDESMFCOQMAF-SECBINFHSA-N 470.454 4.343 50 10 JIGE C[C@@H](Br)C[C@H]1CCCCN1C(=O)Cc1ccccc1I 2143869354 YBIXEKPKOXJFGO-TZMCWYRMSA-N 450.158 4.388 50 10 JIGE COC1(CBr)CCN(C(=O)c2cccc(Br)c2Br)CC1 2148748246 ATQULWQKXWZKNS-UHFFFAOYSA-N 469.999 4.228 50 10 JIGE CC1(C)[C@@H](CNS(=O)(=O)c2ccc(CBr)cc2)CCN1Cc1ccccc1 2163184719 AKTTYEIKELNUBH-LJQANCHMSA-N 451.430 4.161 50 10 JIGE O=C(c1cc(Br)c(Br)s1)N1C[C@@H](CBr)OC2(CCC2)C1 2165763327 BBUUBGCMRUYSED-MRVPVSSYSA-N 488.039 4.432 50 10 JIGE O=C(c1csc(Br)c1Br)N1CCC2(CC1)C[C@@H](Br)CO2 2173173408 QVOQGMPKHCCHSC-MRVPVSSYSA-N 488.039 4.432 50 10 JIGE CCC[C@H]1CN(C(=O)c2cc(C)ccc2I)C[C@H]1CBr 2240903747 PBKVBWZRMKKAHO-QWHCGFSZSA-N 450.158 4.483 50 10 JIGE C=CC[C@@]1(CBr)CCCCN1C(=O)c1cc(I)sn1 2272173159 LRCASIZHGYGETA-ZDUSSCGKSA-N 455.159 4.084 50 10 JIGE C[C@H](Cl)CN(CCC(C)(C)C)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2288058257 DDZJODARVVSKAX-KRWDZBQOSA-N 457.036 4.148 50 10 JIGE Cc1ccc(C[C@H]2SC(=C(C#N)C(=O)NCc3ccco3)N(c3ccc(F)cc3)C2=O)cc1 2296834931 CSFQXYDQRYEONH-JOCHJYFZSA-N 461.518 4.470 50 10 JIGE N#CC(=Cc1ccc(C=C(C#N)S(=O)(=O)c2ccccc2)cc1)S(=O)(=O)c1ccccc1 2297564296 JIAWLSPZTAQNHI-UHFFFAOYSA-N 460.536 4.363 50 10 JIGE BrC[C@H]1CN(Cc2ccc(I)c(Br)c2)CCS1 2306226600 ZRFBOKCPPQMOEB-JTQLQIEISA-N 491.030 4.366 50 10 JIGE Clc1ccc(I)cc1C[C@]12CO[C@](CI)(C1)C2 2307330378 NSGQJEMKSKJIML-BETUJISGSA-N 474.507 4.471 50 10 JIGE COCCOc1ccc(C=C(C#N)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 2331122119 NDYBQCBTCZDGGY-MHZLTWQESA-N 476.621 4.028 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1CC[C@@H]2[C@@H](CBr)[C@@H]2C1 2340055348 DZQRDRITVZCADN-YUSALJHKSA-N 454.533 4.048 50 10 JIGE Clc1ccc(I)cc1CN1[C@H](CBr)C[C@H]2OCC[C@@H]21 2352410289 GKETUSJWEXYJNK-FPMFFAJLSA-N 456.549 4.071 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1CC[C@H]2C[C@]1(CBr)C2 2361710761 SVMJYHAGNZLTTR-SWZMTVOYSA-N 488.039 4.150 50 10 JIGE CC[C@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 10295509 DHHXWTLVDYSQMF-QWHCGFSZSA-N 484.405 4.274 50 10 JIGE O=C(CCC(=O)NC1CCCCCC1)NNc1nc2ccccc2c2nc(-c3ccccc3)nn12 20286946 XCFQNFQQYRKMRA-UHFFFAOYSA-N 471.565 4.007 50 10 JIGE COC[C@H](C)NC(=O)c1oc2c(c1C)/C(=N/NC(=O)Cc1coc3c(C)c(C)ccc13)CCC2 40826566 RFRSFSNPULKIPO-GQIVLKDASA-N 465.550 4.115 50 10 JIGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)CCc2ccc(C(C)C)cc2)c(OC)c1 40996232 RQTYEKCASGLCIZ-PXLXIMEGSA-N 450.535 4.026 50 10 JIGE CCCOc1ccc(C(=O)NCC(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccccc2)cc1 48571790 HNHOUTMTYVOHGJ-UXHLAJHPSA-N 481.556 4.208 50 10 JIGE CCCCN(CCCC)CN1C(=O)/C(=N/NC(=O)COc2c(C)cccc2C)c2ccccc21 96022463 FRQKIGYHDRGKAF-XLVZBRSZSA-N 464.610 4.409 50 10 JIGE O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1cc(Br)ccc1OCc1ccccc1 96286825 ZDTKYWBVBIXVER-FSJBWODESA-N 470.279 4.406 50 10 JIGE COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NCC2(c3cccc(F)c3)CCOCC2)c1C 210335196 HANGGTDIOZYIAJ-PPRFWAEMSA-N 453.558 4.223 50 10 JIGE CC(=NNC(=O)CCCCCCCC(=O)NN=C(C)c1ccc(O)cc1)c1ccc(O)cc1 254869544 KPKQCNSPJNFNHS-UHFFFAOYSA-N 452.555 4.209 50 10 JIGE Cn1ncc([C@H](Br)c2sccc2Br)c1I 306476904 YMPCMSWRMXUGEC-ZETCQYMHSA-N 461.948 4.333 50 10 JIGE C[C@H]1CC[C@@H](Br)CN1S(=O)(=O)c1cc(Br)ccc1Br 399370779 SANIQKKXNOYSLP-WCBMZHEXSA-N 476.028 4.148 50 10 JIGE N#CCCn1cc(/C=C(/C#N)C(=O)OCc2cc(F)cc3c2OCOC3)c(-c2ccccc2)n1 760457112 DFPUOBRGXZCMJP-NVMNQCDNSA-N 458.449 4.120 50 10 JIGE Cc1ccsc1C=NNC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1 1084022080 ASYNNVOQLOTIDW-UHFFFAOYSA-N 492.420 4.165 50 10 JIGE COc1ccc(OC)c(C=NNC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)c1 1084022939 UJFWDTKOHIOHBC-UHFFFAOYSA-N 495.601 4.051 50 10 JIGE Cc1cccc(C)c1NC(=O)CSc1ccc(C=NNC(=O)CCc2ccccc2O)o1 1084087173 VKZDHMHGOLQWQN-UHFFFAOYSA-N 451.548 4.416 50 10 JIGE O=C(CSc1nc2ccccc2[nH]1)NN=C1C(=O)N(Cc2ccccc2Cl)c2ccccc21 1084234020 NRRGQNNIRNOZPK-UHFFFAOYSA-N 475.961 4.376 50 10 JIGE CCOc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2sccc2C)c2ccc(C)cc2)cc1 1084631869 PFOHDTLXDSCVMZ-UHFFFAOYSA-N 471.604 4.109 50 10 JIGE CC(=O)c1ccc(Nc2ccccc2C(=O)NNC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)cc1 1598310549 MWJCFQGEEINCJI-UHFFFAOYSA-N 457.465 4.237 50 10 JIGE O=C(OCc1ccccc1)N1C[C@H](c2ccc([N+](=O)[O-])c(O)c2)[C@@H](CI)C1 1614636548 JPQLSJXHLOUPEX-JKSUJKDBSA-N 482.274 4.088 50 10 JIGE COc1cc(C=NNC(=O)[C@H](C)Oc2ccc(Cl)cc2C)cc(Br)c1OC 1772719676 LAPQTJIONLNTIY-LBPRGKRZSA-N 455.736 4.346 50 10 JIGE Cc1c(C(=O)NCc2ccco2)oc2c1C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772743615 GOHXGKQTSHZDTA-UHFFFAOYSA-N 470.323 4.344 50 10 JIGE Cc1c(C(=O)NNC(=O)c2ccccc2Cl)oc2c1C(=NNC(=O)c1cccc(Cl)c1)CCC2 1772745625 DKPSRVAGPAVKAQ-UHFFFAOYSA-N 499.354 4.440 50 10 JIGE CCc1nn(Cc2ccccc2F)c2c1[C@@H](c1cc(Br)cc(OC)c1O)C(C#N)=C(N)O2 1865695616 FDBJEFNCVDUQFC-IBGZPJMESA-N 499.340 4.328 50 10 JIGE CC[C@H](NC(=O)Cc1nc(-c2ccc(OC)cc2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866678196 NEENTAXRXGPXPS-FQEVSTJZSA-N 464.547 4.308 50 10 JIGE N#CSc1ccc(NC(=O)[C@H](CO)NC(=O)C[C@H](c2ccc(F)cc2)c2cccc(F)c2)cc1 1866780945 JZOIGAQMKZSVPA-PKTZIBPZSA-N 481.524 4.176 50 10 JIGE CC[C@@H](NC(=O)c1c(C)cc(C)n(-c2ccccc2)c1=O)C(=O)Nc1ccc(SC#N)cc1 1867217091 XHMJFYXJPUNUPL-OAQYLSRUSA-N 460.559 4.175 50 10 JIGE N#C/C(=C(/O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1nc(-c2ccc(F)c(F)c2)cs1 1872751430 HODUMZQETAVOPO-JXAWBTAJSA-N 468.397 4.085 50 10 JIGE C[C@H]1CN(Cc2ccc(I)c(Br)c2)C[C@@H]1Br 1904343823 MSPGHLMTNHJKPK-KWQFWETISA-N 458.963 4.269 50 10 JIGE O=C(c1cc(Br)c(Br)s1)N1C[C@H](Br)[C@H](Br)C1 1990922356 RJAONEJASHMGMT-OLQVQODUSA-N 496.844 4.256 50 10 JIGE O=C(CBr)c1ccc(Br)c(OC(F)F)c1I 2054808234 FLJBSSOOFZVYPO-UHFFFAOYSA-N 469.845 4.233 50 10 JIGE O=C(CBr)c1c(OC(F)F)ccc(I)c1C(F)(F)F 2060377197 FTQPWRKQZDWKDD-UHFFFAOYSA-N 458.946 4.489 50 10 JIGE Cn1cc(Cl)c([C@@H](Br)c2cc(I)cc3c2OCC3)n1 2094351998 ZWYKMAXNZGNRBD-NSHDSACASA-N 453.505 4.097 50 10 JIGE C[C@H]1C[C@@H](N(C)S(=O)(=O)c2cc(CCl)oc2Br)CN1Cc1ccccc1 2098610420 YYJKFUUWGNZGRM-DZGCQCFKSA-N 461.809 4.064 50 10 JIGE O=C(NC[C@H](CBr)C(F)(F)F)c1ccc(I)c(Cl)c1 2105271760 RZIWTAVBOBHDHF-ZETCQYMHSA-N 470.454 4.248 50 10 JIGE Cn1cc([C@H](Br)c2cc(Br)cc3c2OCC3)c(Br)n1 2116554807 NQXPATDCLPCXLQ-LLVKDONJSA-N 450.956 4.364 50 10 JIGE Cc1cc(S(=O)(=O)N(C)[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)sc1CBr 2123243721 NLXBQNIJZUJLIQ-DOTOQJQBSA-N 457.459 4.235 50 10 JIGE O=C(NC[C@H]1CCC[C@H]1CCl)c1ccc(Br)cc1I 2142285863 VPZGRUKIXLHKFE-VHSXEESVSA-N 456.549 4.439 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N(CCBr)CC(F)F 2256387082 GJKDAGJCUPLQLC-UHFFFAOYSA-N 452.464 4.047 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OCC23CC(C(F)F)(CO2)C3)C1 2266240712 LVHTXTPAOFDYMT-LXPRWKDFSA-N 487.325 4.022 50 10 JIGE CSC1CC(CN(C)S(=O)(=O)c2cc(CBr)sc2Br)C1 2284186221 YKNZJVRVSVLEAK-UHFFFAOYSA-N 463.282 4.168 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N1CC[C@@H]2[C@@H](CBr)[C@@H]2C1 2295308753 AJCIPNISIOEMMW-MGPQQGTHSA-N 466.011 4.244 50 10 JIGE C[C@]12CN(C(=O)Cc3cc(Br)cc(Br)c3)C[C@@]1(CBr)C2 2295309586 KYCYXGPNPALOEI-GJZGRUSLSA-N 466.011 4.388 50 10 JIGE CCOC(=O)C1CCN(c2nc3c(C)cccn3c(=O)c2C=C(C#N)c2nc3ccccc3s2)CC1 2295832694 QAFWNXDGLHFYON-UHFFFAOYSA-N 499.596 4.456 50 10 JIGE CC(=O)OCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(C)cc2)C(C)=C(C#N)C1=O 2296856684 FEFZRNZZLVVESN-UHFFFAOYSA-N 480.524 4.003 50 10 JIGE COc1cccc(NC(=O)C(C#N)=Cc2c(Oc3cccc(C)c3)nc3ccccn3c2=O)c1 2314532121 GLAFOUQYFLKYER-UHFFFAOYSA-N 452.470 4.350 50 10 JIGE Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)C(C#N)=Cc3cccc(Cl)c3)cc2)n1 2329684342 QWKPHFDJCWYCJL-UHFFFAOYSA-N 467.938 4.093 50 10 JIGE Cc1cc(Br)c(C(=O)NCC(F)(F)C(F)(F)CI)s1 2336532408 STURAVHXOCFLCJ-UHFFFAOYSA-N 474.055 4.254 50 10 JIGE C[C@@H]1[C@H](Br)CCN(S(=O)(=O)c2cc(Cl)c(Br)s2)[C@@H]1C 2344523112 JQABYHSBLSHMSM-XLPZGREQSA-N 451.633 4.347 50 10 JIGE C[C@@H](Br)C[C@@H]1COCCN1Cc1cc(I)ccc1Cl 2352414771 YEMWFXBKYRKQJK-ZWNOBZJWSA-N 458.565 4.319 50 10 JIGE CN1C(c2ccc(F)cc2)=CS/C1=C(/C#N)c1nnc(N2CCOCC2)n1-c1ccccc1 3190789 LMPJHCKNAFPGOT-ATJXCDBQSA-N 460.538 4.112 50 10 JIGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)C3CCCCC3)cc2)cc1 12571959 YWGILHWYLQADGJ-UHFFFAOYSA-N 480.634 4.452 50 10 JIGE CCCCOc1cccc(C(=O)NNC(=O)COc2ccc(Cl)cc2Br)c1 14041657 DJYJKVYYOSXULC-UHFFFAOYSA-N 455.736 4.121 50 10 JIGE CC(C)CC(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(OC(C)C)c(Br)c2)cc1 14658904 IXYBXLXUDWGDDG-UHFFFAOYSA-N 476.371 4.296 50 10 JIGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNC(=O)c1cccnc1)c1nc3cc(Cl)c(Cl)cc3nc12 33366404 QVIRSSJXZYMNND-PKTZIBPZSA-N 470.360 4.122 50 10 JIGE Cc1cccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)CCC3)c1 40814613 XIDXVJTXAXDMNE-NHFJDJAPSA-N 460.490 4.456 50 10 JIGE COc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)ccc1OCc1cccc([N+](=O)[O-])c1 58889688 HUIKWCMQQYCIQD-PPEIKGMUSA-N 463.490 4.146 50 10 JIGE CCOC(=O)/C(C#N)=C(\Nc1ccccc1)SC(=O)/C=C\C(=O)Nc1ccc(C(C)=O)cc1 210098349 XICUHZMWSQYEHJ-MHWUVMEVSA-N 463.515 4.054 50 10 JIGE CC(C)(CBr)CNC(=O)c1cc(Br)ccc1I 232520929 BEFUQSVMNZALML-UHFFFAOYSA-N 474.962 4.205 50 10 JIGE Cc1c(Br)cc(CCl)cc1S(=O)(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 312659775 HBDIKEMZUVGHNZ-SFHVURJKSA-N 471.848 4.391 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2CCC[C@H]2CCBr)cc1Br 380115333 JOLJFTKIXGZHJH-JTQLQIEISA-N 490.055 4.458 50 10 JIGE CC[C@H](NS(=O)(=O)c1cc(Br)ccc1Br)[C@H](C)Br 386675700 HEUDEKNOZISCFA-XVKPBYJWSA-N 464.017 4.052 50 10 JIGE C[C@H](CBr)[C@H]1CCCCN1C(=O)c1ccc(F)cc1I 696708297 CSHCEWDBLNTBBG-QMTHXVAHSA-N 454.121 4.456 50 10 JIGE C[C@H]1CN(C(=O)c2ccc(I)c(Br)c2)C[C@H]1CBr 709398423 RCPRBKXHJYCJHT-WCBMZHEXSA-N 486.973 4.157 50 10 JIGE Cc1cc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)NCc2cccs2)c(C)n1-c1ccc(F)cc1 729350462 CHNQJXKXNICXMN-MIQLPHMESA-N 451.523 4.450 50 10 JIGE CC(C)CNC(=O)C1CCN(C(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)CC1 881450703 FXICWRSEBCOFLD-KGENOOAVSA-N 493.011 4.035 50 10 JIGE Cc1ccc(C(=O)N[C@@H](CC(=O)NNC(=O)c2ccc(Br)cc2)c2ccccc2)cc1 1115998168 RKCBQQHKJCQJLN-NRFANRHFSA-N 480.362 4.080 50 10 JIGE C=CC[C@@]1(C(=O)NNC(=O)Nc2ccc(Cl)cc2Cl)CCCN1C(=O)OC(C)(C)C 1467439304 QQFFQDXCXNXFSD-FQEVSTJZSA-N 457.358 4.492 50 10 JIGE COc1cccc(C(=O)NN=C2CCCc3oc(C(=O)NCCc4cccs4)c(C)c32)c1 1772748339 WJMCKMGBPMDCIP-UHFFFAOYSA-N 451.548 4.101 50 10 JIGE CCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3C)cc1OC 1865693002 QOFVLAHYPVGKSN-SFHVURJKSA-N 461.360 4.287 50 10 JIGE CCCCOc1ccc(/C=N/NC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)cc1OCC 1873794899 HXLZBCWOHNJKAH-MRSJDWDVSA-N 467.632 4.361 50 10 JIGE BrCC1CC2(C1)CN(c1ncc(I)cc1Br)C2 2015765900 HXVHSTPMXORAJV-UHFFFAOYSA-N 471.962 4.060 50 10 JIGE CCOC(=O)Cc1ccc(Br)c(I)c1CBr 2054979440 WCKTWVVVZKMDSG-UHFFFAOYSA-N 461.919 4.054 50 10 JIGE C[P@]1(=O)C[C@H](Br)[C@H](NC(=O)c2cc(Br)c(Br)s2)C1 2057665842 KMVVPBQIRRVLFE-KITDARMDSA-N 479.956 4.142 50 10 JIGE C[C@]1(NC(=O)c2ccc(Br)cc2I)CCC[C@H]1Br 2086139558 QBLCLKYMZRNSKM-YPMHNXCESA-N 486.973 4.490 50 10 JIGE O=C(N[C@H]1C[C@@H](CCBr)C1)c1ccc(Br)cc1I 2086147049 IMZIDYGSXVWFSZ-WAAGHKOSSA-N 486.973 4.347 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@@H](Cl)[C@@H](C2CC2)C1 2090673663 IUZGUJWLQAUZFE-VXGBXAGGSA-N 454.533 4.143 50 10 JIGE CC1=C(Br)CN(S(=O)(=O)c2cc(CBr)oc2Br)CC1 2123200381 HFQCWYMNHFFQKT-UHFFFAOYSA-N 478.000 4.000 50 10 JIGE O=S(=O)(c1ccc(CBr)s1)N1CCC[C@H]1[C@@H]1CCN(Cc2ccccc2)C1 2179810221 CNNVENURWDQJFV-MJGOQNOKSA-N 469.470 4.318 50 10 JIGE CN(C1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)S(=O)(=O)c1csc(CBr)c1 2179810844 HMFBEMFSKAZLLT-JWTNVVGKSA-N 469.470 4.459 50 10 JIGE CC(C)(C)c1ccc(C(=O)NC2=NC(=C(C#N)C(=O)NCc3ccco3)c3ccccc32)cc1 2296532702 KXWXKFHNGRBTQY-UHFFFAOYSA-N 452.514 4.318 50 10 JIGE Cc1c(NC(=O)C(C#N)=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)c(=O)n(-c2ccccc2)n1C 2296689766 HIGRTYOEECWPKD-UHFFFAOYSA-N 469.457 4.198 50 10 JIGE Cc1nc(Br)c(C(=O)N(Cc2ccccc2)C2(CBr)CCC2)n1C 2300222202 KXZJMZUOGSPABC-UHFFFAOYSA-N 455.194 4.451 50 10 JIGE COc1ccc(OC)c(C=CC(=O)NNC(=O)c2ccc(-c3ccc(Cl)cc3)nc2C)c1 2321060329 LBADLCUPUAXTPH-UHFFFAOYSA-N 451.910 4.202 50 10 JIGE O=C(c1ccc(Br)cc1I)N1[C@H]2CC[C@@H]1[C@@H](CBr)C2 2333350767 GUUXAVLWNWHJPX-DFAYQTQMSA-N 498.984 4.442 50 10 JIGE Clc1ccc(CN2CC3(CC[C@H](CBr)O3)C2)c(I)c1 2341047811 ICDPVSIBXRUTEK-GFCCVEGCSA-N 456.549 4.073 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@H]2CC[C@H]1C[C@H]2Br 2362204307 PNZGHTHINDCYAQ-UBHAPETDSA-N 488.039 4.148 50 10 JIGE C[C@H](Cl)c1nc2cc(Br)ccc2n1-c1c(I)cnn1C 2381855982 GHKCTKVNNXSNLX-ZETCQYMHSA-N 465.520 4.426 50 10 JIGE CC(C)CC(=O)Nc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)cc1 14644407 BDMVZFBAUQMKQQ-CYBMUJFWSA-N 496.789 4.316 50 10 JIGE CCCCCn1nc(C(=O)NNC(=O)c2sc(-c3ccsc3)nc2C)c2ccccc2c1=O 17398103 UFFQQHMHIJBYGY-UHFFFAOYSA-N 481.603 4.155 50 10 JIGE CNC(=O)/C(C#N)=C1/S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(F)cc1 33437226 MAIVRDMLPXYZLE-FABDANFUSA-N 450.322 4.305 50 10 JIGE C/C(=N/NC(=O)c1ccc(CN2c3cccc4cccc(c34)S2(=O)=O)cc1)c1ccc2c(c1)OCO2 33787351 NCTMWIZPTUQVEU-QRQIAZFYSA-N 499.548 4.431 50 10 JIGE O=C(NNc1ncnc(Nc2ccc(F)c(Cl)c2)c1[N+](=O)[O-])c1ccccc1Br 40658368 BVUBDXKJONWGHN-UHFFFAOYSA-N 481.669 4.440 50 10 JIGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)N/N=C/c1ccccc1[N+](=O)[O-] 59884586 DHCNTBIATMHHBE-VSRRSJTHSA-N 499.984 4.269 50 10 JIGE O=C(N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccc(Br)cc21)c1ccncc1 100390608 FSOFWQDENCGSKS-PLRJNAJWSA-N 469.726 4.178 50 10 JIGE COc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)S(=O)(=O)c2ccc(C)cc2)cc1 102846921 RSFSHLTVDCPVOI-QNGOZBTKSA-N 473.510 4.142 50 10 JIGE C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1 107577578 UMRAKMPAVJONFM-LPHOPBHVSA-N 486.494 4.085 50 10 JIGE CCCCN(CCBr)S(=O)(=O)c1cc(Br)ccc1Br 124910853 HCKLSIMABCTUKM-UHFFFAOYSA-N 478.044 4.397 50 10 JIGE COc1cc2c(cc1NC(=O)CC(C)=NNC(=O)C(=O)Nc1cccc(C)c1)oc1ccccc12 263631144 HTKVFDGSNFRYDO-UHFFFAOYSA-N 472.501 4.362 50 10 JIGE Cc1cc(I)cc(NS(=O)(=O)c2ccc(CBr)cc2)c1 690585594 NAVGIGMPFRJQMF-UHFFFAOYSA-N 466.138 4.295 50 10 JIGE Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)OC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1 853447000 BFKBGMRCWJIWPN-AGCNJRDRSA-N 481.556 4.488 50 10 JIGE Cc1ccccc1NC(=O)C(=O)NN=Cc1cc(C)n(-c2cccc(Br)c2)c1C 1083986761 GDTWEMULXGQEER-UHFFFAOYSA-N 453.340 4.254 50 10 JIGE O=C(NN=C1C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc21)c1cc(F)c(F)cc1Cl 1084120514 GJQFEFCGGWNTQF-UHFFFAOYSA-N 470.819 4.207 50 10 JIGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccccc2C(=O)O)cc1 1865703518 AGOLEWNNFVDNRL-JOCHJYFZSA-N 464.481 4.464 50 10 JIGE C[C@H](Cl)[C@@H](NC(=O)c1cc(I)ccc1Br)C(F)(F)F 1882673320 FMIVVKSLVXVWDG-SSDLBLMSSA-N 470.454 4.342 50 10 JIGE O=C(NC[C@@H](Br)CBr)c1cc(Br)sc1Br 1961824806 UESQOLDWZOJNSW-BYPYZUCNSA-N 484.833 4.161 50 10 JIGE COCCN1C[C@H](Cc2ccc(Br)cc2Br)[C@@H](Br)C1 2100729813 GOKOIOMHTYJSPN-FZMZJTMJSA-N 456.016 4.096 50 10 JIGE C[C@H]1CN(Cc2ccccc2)C[C@@H](C)CN1S(=O)(=O)c1ccsc1CBr 2123287108 WKKBKYGVPLAINF-CVEARBPZSA-N 457.459 4.174 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CC[C@H](Cl)[C@@H]2CC[C@@H]21 2133723261 OCLBFTILOTZEPF-XDTLVQLUSA-N 454.533 4.286 50 10 JIGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CC[C@@H](Br)C(F)(F)CC1 2150022560 SCLYQDAAOXQUIM-SSDOTTSWSA-N 473.586 4.347 50 10 JIGE O=C(c1ccc(F)cc1I)N1C[C@@H]2CCC[C@]2(CBr)C1 2159408689 MWJJWYYAWPBHEP-BONVTDFDSA-N 452.105 4.068 50 10 JIGE Cc1cc(S(=O)(=O)N(C)[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)ccc1CBr 2179788004 WORXIULDYYQCLR-FXAWDEMLSA-N 451.430 4.173 50 10 JIGE O=S(=O)(c1cc(CBr)cs1)N1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 2226341106 LMUFXRPURJXSRU-HDICACEKSA-N 455.443 4.071 50 10 JIGE COc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OC 2313518239 YGEMOJLTJYRVIT-UHFFFAOYSA-N 462.287 4.471 50 10 JIGE CNC(=O)C(C#N)=C1S[C@@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccc(OC)cc1 2314593522 OJYRZNHAEDPXDR-KRWDZBQOSA-N 462.358 4.174 50 10 JIGE COc1ccc(C=C(C#N)C(=O)N(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 2314777817 WFIHQBSHLHDEOK-UHFFFAOYSA-N 462.527 4.341 50 10 JIGE CC1(C)CC[C@@H](CBr)N(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2364209662 VHKCFVRSXMZWDU-KRWDZBQOSA-N 499.471 4.058 50 10 JIGE Cc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 12500866 DMVXJQGAMRHQJL-UHFFFAOYSA-N 488.613 4.494 50 10 JIGE COc1ccc(/C(C)=N/NC(=O)COc2ccc(Br)cc2Br)c(OC)c1 12583996 LOVDDCPFXHZLIT-SRZZPIQSSA-N 486.160 4.148 50 10 JIGE N#C/C(=C/c1c(N2CCCCCC2)nc2ccccn2c1=O)S(=O)(=O)c1ccc(Cl)cc1 33906964 BWMVHODCWIHCOZ-CYVLTUHYSA-N 468.966 4.067 50 10 JIGE CCCOc1ccc(/C=C2/C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1OCC 38608530 JQXAMYMNKXYDKF-RGVLZGJSSA-N 474.513 4.395 50 10 JIGE CCc1ccc(Nc2ncnc(NNC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2[N+](=O)[O-])cc1 40587347 ILKWXXGAXDMEMH-UHFFFAOYSA-N 457.834 4.009 50 10 JIGE COc1c(C)cccc1C(=O)N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 59148751 SGQIQOSXYAWDDV-YDZHTSKRSA-N 450.407 4.376 50 10 JIGE CC(C)Cc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(S(=O)(=O)NC(=N)N)cc3)n2)cc1 103699927 OYLGLNBWWDLMRW-AQTBWJFISA-N 480.619 4.157 50 10 JIGE CCCCOC(=O)c1ccccc1N/C=C(/C#N)C(=O)N[C@@H](C)c1ccc(OC)c(OC)c1 217171920 SBISWKCXBSQHHM-DOMQTXCISA-N 451.523 4.357 50 10 JIGE CC(C)[C@H](CI)NC(=O)c1cc(Br)ccc1Br 232727744 VXSBSLICFKTGBQ-NSHDSACASA-N 474.962 4.401 50 10 JIGE Cn1cc([C@H](Br)c2cc3c(cc2Br)OCC3)nc1Br 698479007 PSQZHDABGAARCG-GFCCVEGCSA-N 450.956 4.364 50 10 JIGE CC(C)(C)N1CCCN(C(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)CC1 746017956 AEIWFQVGDHPKKQ-SILNSSARSA-N 465.001 4.357 50 10 JIGE O=C(NN=C1C(=O)N(Cc2cccc([N+](=O)[O-])c2)c2ccccc21)c1cc(F)c(F)cc1Cl 1084123882 ROZJWEZKIZSTMP-UHFFFAOYSA-N 470.819 4.207 50 10 JIGE O=C(NN=Cc1cc(Br)c(I)o1)c1cccc(Cl)c1 1084341892 ILCNDCSLNZCFRT-UHFFFAOYSA-N 453.461 4.064 50 10 JIGE C/C(=N/NC(=O)[C@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(C)cc1 1615525681 BPKPAUYPDYETNR-PQXMOQQSSA-N 498.583 4.031 50 10 JIGE O=C(COc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1)Nc1ccc(Br)cc1 1858682273 JLRNORQCAPXAEM-UHFFFAOYSA-N 487.266 4.381 50 10 JIGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2c(F)cccc2Cl)c1 1865691851 CLRLAFFSYIFVMC-OAQYLSRUSA-N 454.889 4.268 50 10 JIGE COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccn2)cc1OC 1865711017 OBIAKSLQYCADQR-QHCPKHFHSA-N 481.512 4.178 50 10 JIGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2cc(OC)c(O)c(OC)c2)cc1 1865714798 QKNICKJYJVAFJX-HSZRJFAPSA-N 496.523 4.489 50 10 JIGE N#C/C(=C(/O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2ccc(F)cc2)cs1 1872753056 FYLJGBHBTQLMSC-SDXDJHTJSA-N 464.434 4.336 50 10 JIGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@H]1C[C@@H](Br)C1 1877387772 GNKMEADEMRUATL-HRCADAONSA-N 457.368 4.203 50 10 JIGE O=C(N[C@H](CBr)C[C@H]1CCCO1)c1cc(Br)sc1Br 1926779963 KJTGVCNHDOBLNF-JGVFFNPUSA-N 476.028 4.336 50 10 JIGE O=C(N[C@@H](CBr)C[C@H]1CCCO1)c1cc(Br)c(Br)s1 1926780715 LOZRCGHYWGUMCP-HTQZYQBOSA-N 476.028 4.336 50 10 JIGE CC[C@@H](CBr)CNC(=O)c1ccc(I)c(Br)c1 1948701791 LLSGJVHAYVJDIE-QMMMGPOBSA-N 474.962 4.205 50 10 JIGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CCN(C(=O)c2cccc(CCl)c2)CC1 1965304339 DUWDXSGIWCNDON-UHFFFAOYSA-N 482.021 4.355 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CCC[C@@H]1CCBr 2086147257 LCTJZIQLRIOJNO-SNVBAGLBSA-N 486.973 4.443 50 10 JIGE CN([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(CCl)c(Br)c1 2088576373 VTTOHBWCKCXLLS-KRWDZBQOSA-N 457.821 4.083 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CC[C@@H]2[C@@H](CCl)[C@@H]2C1 2093139768 GTWVVUMJUGXODO-YUSALJHKSA-N 454.533 4.001 50 10 JIGE C[C@@H]1CN(C(=O)c2ccc(I)c(Cl)c2)CC[C@H]1CBr 2109032142 LPWQHVGHSFYLGN-KOLCDFICSA-N 456.549 4.438 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@@H]2CC(Br)C[C@H]2C1 2128655093 PIZOQGRGOWPHSA-IUCAKERBSA-N 498.984 4.299 50 10 JIGE C[C@H](Br)C[C@H]1COCCN1Cc1ccc(I)c(Cl)c1 2142945654 XDZXHNANIMVCTF-JQWIXIFHSA-N 458.565 4.319 50 10 JIGE CCN1CCC[C@H]([C@@H](Br)c2cccc(Br)c2Br)S1(=O)=O 2148762642 XRCQCOWDEGOCCP-YPMHNXCESA-N 490.055 4.462 50 10 JIGE CC(C)(C)OC(=O)NC[C@@]1(C(F)(F)F)CCCN1CC1(CBr)CCOCC1 2163061763 IGTUMEPMYVCNMR-QGZVFWFLSA-N 459.347 4.100 50 10 JIGE O=C(c1cc(I)ccc1F)N1C[C@H]2C[C@H](Br)CC[C@H]2C1 2169668275 ODXUKLHYKFUEMY-HBNTYKKESA-N 452.105 4.066 50 10 JIGE C[C@H](CCCCCI)NS(=O)(=O)c1ccc(Br)cc1F 2174527956 XTAKCCABBVZRBI-SNVBAGLBSA-N 478.165 4.250 50 10 JIGE CN(C(=O)c1ccc(F)cc1I)[C@@H](CCBr)C(F)(F)F 2178515221 JZKLHTZPNPIVOS-JTQLQIEISA-N 468.026 4.218 50 10 JIGE Cc1ccc(S(=O)(=O)N(C)C[C@H]2CCN(Cc3ccccc3)C2)cc1CBr 2179786120 VVQAHGBXWAEEBN-LJQANCHMSA-N 451.430 4.033 50 10 JIGE O=S(=O)(c1ccc(CCl)c(Br)c1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 2188888926 WYZVMDOLGZEBIE-FXAWDEMLSA-N 469.832 4.083 50 10 JIGE ClCCc1nc2cc(I)ccc2n1C[C@@H]1COCCN1Cc1ccccc1 2194648075 GHUOMZZCHIDOTF-GOSISDBHSA-N 495.792 4.323 50 10 JIGE ClCc1nc2cc(Br)cnc2n1C[C@@H]1CC1(Br)Br 2217991509 GHFYHWXCRIMSNQ-LURJTMIESA-N 458.379 4.439 50 10 JIGE CCN([C@@H]1CCC[C@H]1Br)S(=O)(=O)c1cc(Cl)c(Br)s1 2224417162 IJODKNYRKJABSP-VXNVDRBHSA-N 451.633 4.491 50 10 JIGE O=C(CCNC(=O)OCC1c2ccccc2-c2ccccc21)NC[C@H]1C[C@H](Br)C1 2241633675 ASVFMHUDRAKWFX-WKILWMFISA-N 457.368 4.205 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N1CC[C@H](CCBr)C1 2277927743 QBEWLVJSPZBTRJ-JTQLQIEISA-N 454.000 4.388 50 10 JIGE O=C(c1c(F)cccc1I)N1CCC2(CC1)C[C@@H]2CBr 2282806866 NLYGAUKDVLZVLS-SNVBAGLBSA-N 452.105 4.068 50 10 JIGE O=C(C=Cc1ccco1)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 2313610993 RUVOZRWSUNYEEN-UHFFFAOYSA-N 494.139 4.197 50 10 JIGE O=C(NCCSCCCCl)c1ccc(Br)cc1I 2314050681 QQDAGGONAOTELT-UHFFFAOYSA-N 462.578 4.146 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OC[C@@H]2C[C@H]3[C@@H](C2)C3(F)F)C1 2320758110 JXQVRHOFHVVGDB-LOUJCGABSA-N 471.326 4.499 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N[C@H]1C[C@H](CBr)[C@H]2C[C@@H]12 2360163733 NKVIBSJFVSTMHP-JXJLXUTGSA-N 466.011 4.290 50 10 JIGE COc1ccc([C@@H](C(=O)NCCc2ccccc2)N(Cc2cccs2)C(=O)CCl)cc1 3039717 USWGKZRLKQJMFF-QHCPKHFHSA-N 456.995 4.424 50 10 JIGE CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1cn(C)c2ccccc12 10736517 OSFFDKMCQBYTOB-IBGZPJMESA-N 475.376 4.091 50 10 JIGE Cc1cc(Cl)ccc1OCC(=O)NNC(=S)NC(=O)c1sc2ccccc2c1Cl 12502512 RTAFLYWFIIBKFL-UHFFFAOYSA-N 468.387 4.231 50 10 JIGE O=C(NNC(=O)[C@H]1Cc2ccccc2S1)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1 14306328 CCRMOAKXLIDDDR-XMMPIXPASA-N 479.561 4.478 50 10 JIGE O=C(NNC(=S)Nc1ccc(Br)cc1)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 20664015 APGPDMTZHFRSEI-UHFFFAOYSA-N 492.399 4.369 50 10 JIGE CCCN(CCC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NC)c1 35520337 BZGGEBDZDVDLIZ-LTGZKZEYSA-N 491.617 4.003 50 10 JIGE COc1ccccc1NC(=O)/C(C#N)=C\c1c(Oc2ccccc2C)nc2ccccn2c1=O 39858890 DJWZBSXAGYJJOY-SDXDJHTJSA-N 452.470 4.350 50 10 JIGE O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)N/N=C/c1cccc(Br)c1 58987151 LGBVUTPCRLWYJS-DHRITJCHSA-N 493.390 4.334 50 10 JIGE Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/NC(=O)CSc2ccccc2C)cc1 59166062 TXKFOWNGBCPSQG-BUVRLJJBSA-N 454.573 4.314 50 10 JIGE CCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(N)=O)cc2OC)cc1OCC 207295684 NUQQFNFDAAPHMN-BOIKWEOWSA-N 464.518 4.284 50 10 JIGE CC(=NNC(=O)[C@]1(C)CC1(Br)Br)c1cccc(NC(=O)C(C)(C)C)c1 252607792 HEFRDYRJHXMBFJ-KRWDZBQOSA-N 473.209 4.408 50 10 JIGE COc1cccc(C(=O)Nc2ccccc2C(=O)NN=Cc2cccn2-c2ccc([N+](=O)[O-])cc2)c1 254699456 QPQYLNHEAUAMDX-UHFFFAOYSA-N 483.484 4.410 50 10 JIGE COc1ccc(C=NNC(=O)c2ccc(O)cc2)cc1COc1c(F)c(F)c(F)c(F)c1F 254852046 FFDJMQGQUJFOSK-UHFFFAOYSA-N 466.362 4.439 50 10 JIGE O=C(c1ccc(F)cc1I)N1C[C@@H]2CC[C@H](Br)C[C@H]2C1 398744691 RJSVNPQBDDWSDA-DCAQKATOSA-N 452.105 4.066 50 10 JIGE COc1cc(Br)c([C@H](Br)c2c(Br)cnn2C)cc1OC 693082733 CSRIDXVEBINLGB-LBPRGKRZSA-N 468.971 4.447 50 10 JIGE C[C@@H](Br)CCN(C)C(=O)c1ccc(I)c(Br)c1 721594618 QBVFXSLHGIVDTL-MRVPVSSYSA-N 474.962 4.299 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CCC2(C1)CN(C(=O)OC(C)(C)C)C2 1254765127 PUGHGYONIYHMQY-INIZCTEOSA-N 461.694 4.272 50 10 JIGE COc1ccccc1N1CCN(C(=O)[C@@H](Br)Cc2ccccc2Br)CC1 1858181049 FKPUPMJRGDTTPL-KRWDZBQOSA-N 482.216 4.113 50 10 JIGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(F)c2)[C@@H]1c1ccc(O)c(O)c1 1865680528 NHJOCQWVTPBSKV-JOCHJYFZSA-N 454.461 4.367 50 10 JIGE Cc1ccc(-c2nc3cc(C(=O)N[C@H](CO)C(=O)Nc4ccc(SC#N)cc4)ccc3o2)cc1 1866884271 WPCKBXQKENVGPP-OAQYLSRUSA-N 472.526 4.106 50 10 JIGE CN(C[C@@H]1C[C@@H]1Br)C(=O)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 1887823893 TWBAACJGJDHULN-CWRNSKLLSA-N 490.236 4.127 50 10 JIGE CC[C@@H]1CCOC[C@H]1OC1(CI)CCN(C(=O)OC(C)(C)C)CC1 1947170125 UFNYOEQYQSPSQT-HUUCEWRRSA-N 453.361 4.023 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@H]2C[C@H]1C[C@@H]2Br 2052018818 YCFDIJOJUCLVNK-FDOIEUKUSA-N 484.957 4.052 50 10 JIGE CC1(C)C[C@@H](CBr)N(S(=O)(=O)c2cc(Cl)c(Br)s2)C1 2094748611 DDUXKGTYNOIXTM-ZETCQYMHSA-N 451.633 4.348 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CCC[C@](F)(CCl)C1 2101309029 WLHGHJQPMLJZHL-ZDUSSCGKSA-N 460.512 4.237 50 10 JIGE C[C@H]1CN(C(=O)c2ccc(I)c(Br)c2)CC[C@H]1CCl 2109036464 TWYWEOPEYFKQPF-ONGXEEELSA-N 456.549 4.391 50 10 JIGE C#CC[C@@](C)(CBr)CNC(=O)c1cc(Br)ccc1Br 2140714251 OMJGPSZBLRZXCJ-AWEZNQCLSA-N 451.984 4.366 50 10 JIGE CN([C@@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@@H]21)S(=O)(=O)[C@H]1CC[C@@H](CBr)C1 2190549441 YPHYMFOIYALFIP-SJFWLOONSA-N 456.446 4.196 50 10 JIGE CCn1cc(S(=O)(=O)N2CC[C@@]2(C)CCOCc2ccccc2)cc1CBr 2197753612 NTERZGFKOBGUPC-FQEVSTJZSA-N 455.418 4.163 50 10 JIGE CC(C)[S@](=O)(=NCCCCCI)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2214709786 UFCWDYNIVCUBGA-IZHWHUGBSA-N 472.433 4.478 50 10 JIGE C[C@H](Cl)c1nc2cncnc2n1-c1ccc(I)c(Br)c1 2235284075 OJSGAZNEYLNICH-ZETCQYMHSA-N 463.504 4.482 50 10 JIGE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)[C@H](Br)C2CCCC2)C[C@@H]1C(F)(F)F 2279304973 SBWQLRDTIGNUGN-BFHYXJOUSA-N 457.331 4.387 50 10 JIGE CCOc1ccccc1OCC(=O)NN=Cc1ccc(OCC(=O)C=Cc2ccc(OC)cc2)cc1 2294764887 WDMZSHAKVVNORJ-UHFFFAOYSA-N 488.540 4.284 50 10 JIGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccc(OC(=O)c2ccc(F)cc2)cc1 2328821107 BFEOXKXAFRPERN-KKSFZXQISA-N 471.529 4.434 50 10 JIGE O=C(c1cc(Br)c(Br)s1)N1CC2(CC[C@@H](CBr)O2)C1 2336887645 YDQHBEJWDDEYOA-ZETCQYMHSA-N 474.012 4.042 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@H]2CC[C@H]1C[C@H]2Cl 2337160819 YBXDQZMJJPRVGZ-JFGNBEQYSA-N 454.533 4.286 50 10 JIGE Cl[C@@H]1[C@@H](NCc2ccc(I)c(Br)c2)COC12CCC2 2349857545 NZVOYXZQANJKON-QWHCGFSZSA-N 456.549 4.072 50 10 JIGE CN([C@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]12)S(=O)(=O)[C@@H]1CC[C@H](CBr)C1 2357092604 YPHYMFOIYALFIP-QHOCJJNXSA-N 456.446 4.196 50 10 JIGE CC[C@H](C)Oc1cccc(C(=O)NNC(=O)COc2ccc(Br)cc2Cl)c1 10662805 YNUDNVAOGKZQRQ-LBPRGKRZSA-N 455.736 4.120 50 10 JIGE CCOC(=O)c1c(-n2c(C)cc(/C=C(/C#N)C(=O)NC[C@H]3CCCO3)c2C)sc2c1CCCC2 33409457 JWFUCIAGEXVVCT-QRRJMBGHSA-N 481.618 4.413 50 10 JIGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)cc1 38683520 GESQUEMJPFOWDI-OYLFLEFRSA-N 488.471 4.203 50 10 JIGE Cc1c(C(=O)OCC(C)C)sc2ncn(CC(=O)/C(C#N)=C3/Nc4ccccc4S3)c(=O)c12 103908136 XRMZZWYLTSMWIQ-ZHZULCJRSA-N 480.571 4.101 50 10 JIGE O=S(=O)(N[C@@H](CBr)Cc1ccccc1)c1cc(Cl)c(Br)s1 136902849 LTGYDIKZOFGXRJ-SNVBAGLBSA-N 473.639 4.449 50 10 JIGE COc1ccc(/C=C(/C#N)C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2OC)cc1 206397251 OEBDFCDSPKFKJC-GABCUZQJSA-N 493.519 4.440 50 10 JIGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)NN=Cc1cccc(O)c1 254445961 FUERINNDNYJDBZ-UHFFFAOYSA-N 472.574 4.177 50 10 JIGE O=C(c1cc(Br)ccc1Br)N1CCS[C@@H](CBr)C1 720064641 PGETUKFCNKMWHX-VIFPVBQESA-N 458.013 4.164 50 10 JIGE CC(C)[C@H](CBr)CNC(=O)c1ccc(I)c(Br)c1 721592913 HUQBTKFDMRVEPH-SNVBAGLBSA-N 488.989 4.451 50 10 JIGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2ccc(Cl)cc2)cc1)Nc1cccc(Cl)c1 725435243 PKDOWSVLYJPGSY-UHFFFAOYSA-N 485.327 4.100 50 10 JIGE CN(Cc1ccn(-c2ccccc2)n1)C(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1 918647368 DDAMDPYGZZABPX-XLNRJJMWSA-N 461.529 4.215 50 10 JIGE CCOc1ccccc1NC(=O)C(=O)NN=Cc1ccc(OCc2ccc(Cl)cc2)c(OC)c1 1084419624 WAVCZUUANLRLAU-UHFFFAOYSA-N 481.936 4.415 50 10 JIGE C=CCn1c(CNc2ccccc2)nnc1S[C@H](C)C(=O)NN=Cc1c(C)nn(C(C)C)c1C 1084486756 SQRFBCFKMUXFFR-LJQANCHMSA-N 480.642 4.101 50 10 JIGE Cc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)NNC(=O)c3ccccc3Cl)c(C)c21 1772744340 VSXFUTBTMNJFGH-UHFFFAOYSA-N 478.936 4.095 50 10 JIGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1ccccn1 1865692692 HMHYCOMWEYLBEW-QGZVFWFLSA-N 471.439 4.302 50 10 JIGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(C)cc2)c(OC)c1 1865708379 VRGKPLUXYDEFST-LJQANCHMSA-N 470.451 4.494 50 10 JIGE C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)C[C@H]1C[C@@H]1Br 1881363477 WRMYSFIZLOPIML-PZPWOCDFSA-N 457.368 4.155 50 10 JIGE O=C(c1scc(Br)c1Br)N1C[C@H](Br)C(F)(F)C1 1946668601 PSDIVKVZIRJUSC-YFKPBYRVSA-N 453.928 4.128 50 10 JIGE C[C@H]1CN(S(=O)(=O)c2cc(Cl)c(Br)s2)CC[C@@H]1CBr 2109036996 WWXBSDJLYDQHGS-JGVFFNPUSA-N 451.633 4.206 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@@H]2[C@@H](CCl)C[C@H]2C1 2117684661 VYRWHKGFHYKQHV-VDDIYKPWSA-N 454.533 4.001 50 10 JIGE Cc1sc(CBr)cc1S(=O)(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 2123229821 MJFHWAVMMDFLLG-HNNXBMFYSA-N 457.459 4.237 50 10 JIGE O=C(N[C@@H]1CC[C@H](C(F)(F)F)N(CC2(CBr)CCCCC2)C1)C(F)(F)F 2163058517 LCWQSNUGBWDBSC-VXGBXAGGSA-N 453.265 4.406 50 10 JIGE O=C(c1ccc(I)cc1)N1C[C@]2(F)CCC[C@]2(CBr)C1 2176629248 AASIDCGKVPBFKI-LSDHHAIUSA-N 452.105 4.021 50 10 JIGE O=C(N[C@@]12CC[C@@](CBr)(C1)OC2)c1cccc(Br)c1Br 2190199661 YMLSQIPCFQZGMB-KBPBESRZSA-N 467.983 4.028 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CC[C@@H](C(F)(F)CCl)C1 2197765969 JULITYBCOPFYPW-MRVPVSSYSA-N 478.502 4.390 50 10 JIGE Cc1cc(C(=O)N2[C@H]3CC[C@H]2[C@H](F)[C@H](Br)C3)ccc1I 2207096417 KHAONCXGPDJQSO-UZGDPCLZSA-N 452.105 4.078 50 10 JIGE CN(Cc1csc(NS(=O)(=O)c2ccc(CBr)cc2)n1)C(=O)OC(C)(C)C 2232820467 ITGAZTDPRWFTFR-UHFFFAOYSA-N 476.418 4.206 50 10 JIGE CC1([C@@H](CBr)NC(=O)Cc2cc(Br)cc(Br)c2)CC1 2277913837 BVTVJSWBECSATC-GFCCVEGCSA-N 454.000 4.434 50 10 JIGE CC1(C)OCCN(C(=O)c2ccc(Br)cc2Br)[C@H]1CBr 2282891415 YYJWXMSNGSFLPM-LBPRGKRZSA-N 469.999 4.226 50 10 JIGE COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=CC=Cc2ccc3c(c2)OCO3)cc1OC 2293972445 UJJRTLVVGSCVMS-UHFFFAOYSA-N 499.523 4.019 50 10 JIGE CCCC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)NNC(=O)c1ccccc1Br 2313682215 XXFCWOVOSHENCK-UHFFFAOYSA-N 471.355 4.169 50 10 JIGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)c1ccc(C)c([N+](=O)[O-])c1 2314737007 GMFLHWRPBXLKPF-UHFFFAOYSA-N 471.469 4.354 50 10 JIGE Cn1cc(I)c(COc2c(Br)cccc2CBr)n1 2319229308 SAQZQXBPYYSPHN-UHFFFAOYSA-N 485.945 4.261 50 10 JIGE CC(=NNC(=O)c1ccc(-c2ccc(F)cc2F)nc1C)c1ccc2c(c1)N(C)C(=O)[C@H](C)O2 2321276073 QXNZYIJFBGVXOK-HNNXBMFYSA-N 464.472 4.233 50 10 JIGE C[C@@H]1CN(Cc2ccc(I)c(Br)c2)C[C@H](CBr)O1 2325213596 VDZCAFHNVYVZAP-KOLCDFICSA-N 488.989 4.038 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@H]2CC[C@H]1C[C@H]2Br 2337065343 GJJZHGGNFINCFQ-UBHAPETDSA-N 498.984 4.442 50 10 JIGE FC(F)(F)c1cnc(N2CC[C@H]3C[C@]2(CBr)C3)c(I)c1 2361920630 NBIPUXZQFJUFIK-LYWQIFSTSA-N 461.063 4.459 50 10 JIGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)c1 12488103 KUNKFAYOIFMHKB-UHFFFAOYSA-N 451.567 4.477 50 10 JIGE CC(C)(C)c1ccc(C(=O)NNC(=O)CCCCCn2c(=S)[nH]c3ccccc3c2=O)cc1 17518539 RTYHAXFHRODORK-UHFFFAOYSA-N 466.607 4.378 50 10 JIGE O=C(N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O)c1cccc(NC(=O)c2ccc(F)cc2)c1 27520223 DSLLBLHBKIKEJR-BHGWPJFGSA-N 456.817 4.109 50 10 JIGE CC1=C(C(=O)N/N=C/c2ccc(Cl)cc2)[C@@H](c2ccc(Br)cc2)NC(=S)N1 35166969 RXGXIVATRJFXBU-MMXTWKRJSA-N 463.788 4.046 50 10 JIGE Cc1c(C(=O)Nc2ccccc2F)oc2c1/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 40814542 LZZXEVLVVGTEIU-ZXVVBBHZSA-N 464.453 4.287 50 10 JIGE COc1ccc([C@@H](C(=O)NCCc2ccccc2)N(Cc2ccccc2OC)C(=O)CCl)cc1 97915099 SONYIYVWNYGXDF-SANMLTNESA-N 480.992 4.371 50 10 JIGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NC[C@H]2CCCO2)cc1 102859162 CQEDHRGZIHNTAU-RNEGFDSTSA-N 454.530 4.306 50 10 JIGE CO[C@H]1[C@@H](Oc2c(I)cc(Cl)c3cccnc23)C[C@H]1Br 229269112 ULDNSLRNRIPDMQ-YDEJPDAXSA-N 468.516 4.422 50 10 JIGE O=C(NN=Cc1cccc(OC(=O)c2ccco2)c1)/C(=C/c1cccs1)NC(=O)c1ccccc1 254868393 RNUPMPQAYXPRNL-ZBNKSKIISA-N 485.521 4.482 50 10 JIGE COc1ccc(C=NNC(=O)c2ccc(Cl)c(Cl)c2)cc1COc1ccccc1C(N)=O 254893937 FWYXMHXRBSLLCE-UHFFFAOYSA-N 472.328 4.444 50 10 JIGE Cc1cccc(C)c1N(CC(=O)NN=Cc1cc(C)n(-c2cccc(Cl)c2)c1C)S(C)(=O)=O 725407190 GQFDNSPLRWFUMT-UHFFFAOYSA-N 487.025 4.281 50 10 JIGE C=C(Cl)CSc1nc(C)c(CC(=O)NNC(=O)c2cc3c(s2)CC[C@@H](C)C3)s1 1540419394 JQRXJRTXBUNGBU-SNVBAGLBSA-N 456.058 4.486 50 10 JIGE C=CCCC1(CNC(=O)NNC(=O)c2nn(CCCCC)c(=O)c3ccccc23)CCCC1 1683823331 JIXKIRFXEZBKOW-UHFFFAOYSA-N 453.587 4.057 50 10 JIGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3cc(Br)ccc3O)cc2)cc1OC 1772720195 HSJCHJFRBATAGE-UHFFFAOYSA-N 499.317 4.155 50 10 JIGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccn2)cc1OC 1865707423 WUNHQXJTQIIKHN-QFIPXVFZSA-N 451.486 4.170 50 10 JIGE C[C@@H]1[C@H](Br)CCN1Cc1ccc(I)c(Br)c1 1904343813 MRJQUINMQHEVST-PSASIEDQSA-N 458.963 4.411 50 10 JIGE CN(C[C@H](Br)COCc1ccccc1)C(=O)c1cccc(I)c1 1916373991 FIQNKAMCBNORHW-INIZCTEOSA-N 488.163 4.344 50 10 JIGE Cc1cncc(C)c1-n1nc(CBr)c(I)c1C(F)(F)F 2078930424 VMVCRYXVURAPGV-UHFFFAOYSA-N 460.035 4.402 50 10 JIGE Cc1cc(S(=O)(=O)N2CCN(Cc3ccccc3)C(C)(C)C2)sc1CBr 2123244660 ZKAVQMWMMWPYJQ-UHFFFAOYSA-N 457.459 4.237 50 10 JIGE C[C@H](Br)[C@@H]1C[C@@H]1NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2125871773 VPRNCIMRFPKBJU-AYKAFODUSA-N 451.995 4.206 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@H]2C[C@@H](Cl)C[C@H]2C1 2128634300 XZPPXKQXDHCWHM-JGPRNRPPSA-N 454.533 4.143 50 10 JIGE CC(C)(C)OC(=O)N1CCN([S@](C)(=O)=NCC2(CBr)CCCCCC2)CC1 2163057362 AWCCHRYUKQIYAS-HHHXNRCGSA-N 466.486 4.287 50 10 JIGE O=C(NC1(CCBr)CCSCC1)c1cc(I)ccc1F 2169662502 NBEZNXUAHWKUPU-UHFFFAOYSA-N 472.161 4.211 50 10 JIGE Cc1cc(S(=O)(=O)N2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)sc1CBr 2179809250 RJMBRROKKOPDJJ-QZTJIDSGSA-N 469.470 4.094 50 10 JIGE Cc1csc(CBr)c1S(=O)(=O)N1C[C@H]2CN(Cc3ccccc3)C[C@@]2(C)C1 2179815375 DAMWNELGNLCYGB-XLIONFOSSA-N 469.470 4.094 50 10 JIGE N#Cc1cc(I)c(OCCCCCCBr)c([N+](=O)[O-])c1 2239550568 WIVVVYVBEBHOQK-UHFFFAOYSA-N 453.074 4.405 50 10 JIGE CC(C)(C)OC(=O)Nc1cc(I)cc(C(=O)N[C@H]2C[C@H](Br)C2)c1 2245941544 NPLJJUOBEUUSOG-MJHDQNEOSA-N 495.155 4.294 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)NC1CC(CCBr)C1 2277959358 RSHKSEAWJNRNDF-UHFFFAOYSA-N 454.000 4.434 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1[C@H]2CC[C@H]1[C@@H](F)[C@H](Br)C2 2283670269 SEUIHMOJUUYEIV-FQPOAREZSA-N 472.523 4.423 50 10 JIGE O=C(N[C@H](CCBr)COCc1ccccc1)c1ccc(O)c(Br)c1 2303699218 JJRHKXFIPXEPLO-OAHLLOKOSA-N 457.162 4.255 50 10 JIGE COc1ccccc1OCC(=O)NN=Cc1ccc(OC)c(OCc2cccc(Cl)c2)c1 2321706286 PHABUHFYYFYFMS-UHFFFAOYSA-N 454.910 4.465 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@H]2CC[C@H](Cl)[C@H]2C1 2328656743 KWXPQZUZSKROFA-WLTAIBSBSA-N 454.533 4.143 50 10 JIGE C=CC[C@@H](Br)[C@@H]1CCN1S(=O)(=O)c1cc(Br)ccc1Br 2360965488 XJOPDPSIQJLBKG-PWSUYJOCSA-N 488.039 4.314 50 10 JIGE Cc1ccc(O[C@H](C)C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1C 10153213 SZWIOYXGHKEIFX-MRXNPFEDSA-N 477.399 4.357 50 10 JIGE CCCCC(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(OCC)c(Br)c2)cc1 14770457 SSNVBOZJKOSXPL-UHFFFAOYSA-N 462.344 4.051 50 10 JIGE CC(C)(C)OC(=O)CCC(CCC(=O)OC(C)(C)C)(CCC(=O)OC(C)(C)C)NC(=O)CCl 14909862 TVFJXRPLFVWNNL-UHFFFAOYSA-N 492.053 4.446 50 10 JIGE COc1cccc(NC(=O)/C(C#N)=C\c2c(Oc3ccccc3OC)nc3ccccn3c2=O)c1 39858825 ORVKIEVCAKFMNK-VKAVYKQESA-N 468.469 4.050 50 10 JIGE Cc1c(C(=O)Oc2cccnc2)oc2c1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 40823302 YVWINGAQJXKCAN-IPBVOBEMSA-N 481.324 4.192 50 10 JIGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C\c2ccc(OC)c(OC)c2)c(OC)c1 207087649 AYHDBHSNPVNFND-XUPLFRGXSA-N 464.518 4.154 50 10 JIGE COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2cc(SC)sc2OC)cc1 254315813 CZDURYBEVSYPGB-SLEDPDKESA-N 481.599 4.408 50 10 JIGE CCOc1cc(C=NNC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2C)ccc1O 254835798 QPKADEHXKQTOIE-UHFFFAOYSA-N 488.569 4.041 50 10 JIGE COc1cccc(CO[C@@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)c1 310598699 NHCAJOXQAMLOCA-LJQANCHMSA-N 461.340 4.417 50 10 JIGE CC1(C)C[C@H](NC(=O)c2ccc(I)c(O)c2)C[C@H](Br)C1 693896704 SHINIZPDXIIMQZ-WDEREUQCSA-N 452.130 4.069 50 10 JIGE O=S1(=O)CCC[C@@H]1[C@H](Br)c1cc(Br)c(Br)s1 694698965 ICAOQZPPGBHZPL-HTQZYQBOSA-N 453.015 4.286 50 10 JIGE COc1ccccc1CCNC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1 818032992 FCRWIGRKBAURDR-HMMYKYKNSA-N 459.937 4.392 50 10 JIGE CN(C)C(=O)c1cccc(CNC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)c1 914740713 GIFYNLLQOFQVOC-KGENOOAVSA-N 486.963 4.042 50 10 JIGE C#CCOc1c(I)cc(C=NNC(=O)c2cc3ccccc3o2)cc1OCC 1084308621 WRQKVCVHCYZQAY-UHFFFAOYSA-N 488.281 4.212 50 10 JIGE CCOc1ccc(C(=O)NN=Cc2cc(I)c(OC(C)C)c(OC)c2)cc1 1084319471 GAADTAFZSITTLS-UHFFFAOYSA-N 482.318 4.250 50 10 JIGE COc1ccc(/C(C#N)=C/c2cccc(OC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)c2)cc1 1615066564 HEZIMIKMKWKQMK-RCCKNPSSSA-N 462.527 4.229 50 10 JIGE COc1cccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc([N+](=O)[O-])cc2)CCC3)c1 1772744930 NBYPTPHIQKRZIG-UHFFFAOYSA-N 462.462 4.228 50 10 JIGE N#CSc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccc4c(c2)OCO4)C3=O)cc1 1859467349 SSMWGEIDYNCKON-UHFFFAOYSA-N 457.467 4.037 50 10 JIGE CC[C@H](NC(=O)CCS(=O)(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(SC#N)cc1 1866812254 CTOVQRZURAJXHM-NRFANRHFSA-N 487.647 4.255 50 10 JIGE CC[C@H](NC(=O)c1cc(C2CC2)n2nc(C3CC3)cc2n1)C(=O)Nc1ccc(SC#N)cc1 1867179036 ZHLDOLJWMWHFSB-SFHVURJKSA-N 460.563 4.204 50 10 JIGE C[C@@H](CCCl)N(Cc1ccccc1)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1915078114 MJWBVPHYPQAYPQ-IBGZPJMESA-N 477.026 4.302 50 10 JIGE CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NN=CC=Cc3ccccc3[N+](=O)[O-])cc2)cc1 2053515633 CYLMHCOLBSIMFN-UHFFFAOYSA-N 494.529 4.223 50 10 JIGE O=C(NCc1cc(Br)ccc1Br)N1CCC(Br)CC1 2105805652 KLQVDRHJQSJHDN-UHFFFAOYSA-N 454.988 4.281 50 10 JIGE O=C(c1csc(Br)c1Br)N1C[C@@H](CBr)OC2(CCC2)C1 2165765531 HZMRMLXPLRYPCV-MRVPVSSYSA-N 488.039 4.432 50 10 JIGE O=S(=O)(c1cc(Cl)c(Br)s1)N1C[C@@H](Br)C2(CCCC2)C1 2174361910 DRMIZECWGWGAKS-SECBINFHSA-N 463.644 4.492 50 10 JIGE Cc1oc(C)c(S(=O)(=O)N2CCN(Cc3ccccc3)CC[C@H]2C)c1CBr 2179787055 JNOKWIIEIDFMRK-OAHLLOKOSA-N 455.418 4.076 50 10 JIGE Cc1oc(CBr)cc1S(=O)(=O)N(C)[C@H]1CC(C)(C)[C@@H]1OCc1ccccc1 2179813453 WVWVNJPQUQSCBC-PKOBYXMFSA-N 456.402 4.487 50 10 JIGE CC1(C)C[C@@H](CBr)CN1S(=O)(=O)c1cc(Br)ccc1Br 2184272830 BZQZDBWEMYJBPZ-VIFPVBQESA-N 490.055 4.396 50 10 JIGE O=S(=O)(c1ccsc1CBr)N1CCc2sc(Br)cc2C1 2206356053 FWLSKTYVAAPVHF-UHFFFAOYSA-N 457.234 4.214 50 10 JIGE Cc1ccc(C(=O)N2CC[C@H](CCBr)[C@H](C)C2)cc1I 2232830079 KTVVTFIVAMIUJD-OLZOCXBDSA-N 450.158 4.483 50 10 JIGE CCn1c(SCC(=O)NN=CC(Cl)=Cc2ccccc2)nnc1-c1ccc(OC)cc1 2297459236 UJWRXCGZIRTHGW-UHFFFAOYSA-N 455.971 4.448 50 10 JIGE COc1ccc(NC(=O)C(C#N)=Cc2cc(Br)c(O)c(Br)c2)cc1 2313511126 PKZSSULQBYSQAD-UHFFFAOYSA-N 452.102 4.471 50 10 JIGE N#CC(=Cc1cc(Br)ccc1OCc1ccccc1Cl)c1nn(CCO)c(N)c1C#N 2313556297 UXYPDUFIZMZVRO-UHFFFAOYSA-N 498.768 4.388 50 10 JIGE COc1cccc(NC(=O)C(C#N)=Cc2c(Oc3ccccc3OC)nc3ccccn3c2=O)c1 2314533109 ORVKIEVCAKFMNK-UHFFFAOYSA-N 468.469 4.050 50 10 JIGE COc1cc(C=C2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)ccc1OCC(C)C 2314616844 KYVZYUUOZWMGIJ-UHFFFAOYSA-N 474.513 4.251 50 10 JIGE CCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(C)cc2Br)c(OC)c1 2314737525 RTUKKZDTUOWCOY-UHFFFAOYSA-N 487.350 4.184 50 10 JIGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)c1ccc(-c2ccccc2)cc1 2314793270 QCCNDIFKYRHEIO-UHFFFAOYSA-N 468.509 4.347 50 10 JIGE COc1cc(C=C(C#N)c2ccccc2OC)ccc1OC(=O)CCN1C(=O)c2ccccc2C1=O 2320507083 YHKPGVMEJCGEIU-UHFFFAOYSA-N 482.492 4.360 50 10 JIGE Cc1cc(I)ccc1NC(=O)C(C#N)=CNc1ccc(N)c(Cl)c1 2325406125 BPYVTSOVGKKPMP-UHFFFAOYSA-N 452.683 4.293 50 10 JIGE O=C(N[C@@H]1C[C@@H](CBr)[C@H]2C[C@H]21)c1c(Br)cccc1Br 2329877021 MXKWNWDPKXVDPF-FNOROQBZSA-N 451.984 4.361 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1CC(F)(F)C[C@H]1CBr 2340063306 JFUYPAXZBMWZND-QMMMGPOBSA-N 464.475 4.189 50 10 JIGE CN(Cc1c(Br)c(Br)nn1C)c1nc(CCl)ccc1Br 2364343529 ANZVAXPQVZAFAI-UHFFFAOYSA-N 487.421 4.478 50 10 JIGE CCOc1cc(/C=N/NC(=O)COc2c(C)cc(Br)cc2Br)ccc1O 12483190 MFYTVBMJJYZFDK-ZVBGSRNCSA-N 486.160 4.153 50 10 JIGE CCCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(Cl)cc1 14032999 XXCKXHJGAVPNLM-UHFFFAOYSA-N 463.987 4.014 50 10 JIGE O=C(NNc1ncnc(Nc2cccc(Cl)c2)c1[N+](=O)[O-])c1ccccc1Br 40648623 SBGSWINVPNWXLE-UHFFFAOYSA-N 463.679 4.301 50 10 JIGE CC(C)COC(=O)c1ccc(Nc2ncnc(NNC(=O)c3cccc(Cl)c3)c2N)cc1 40782985 FASNPQHNOISXDL-UHFFFAOYSA-N 454.918 4.026 50 10 JIGE N#CCOc1c(Br)cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc1Br 58889164 RUDDOPCNFOJCDJ-NSTHGIQOSA-N 495.171 4.078 50 10 JIGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccccc4)ccc32)cc1 205656097 AVZKJTZLPFFROQ-CGJYUJRMSA-N 452.466 4.310 50 10 JIGE O=C(N[C@H]1CCC[C@H]1CBr)c1cc(Br)ccc1I 231577455 YVZFHWVDUQNPPN-UFBFGSQYSA-N 486.973 4.347 50 10 JIGE Cc1ccccc1C=NNC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1 254567970 XXDNDDFAJXGELU-UHFFFAOYSA-N 472.530 4.393 50 10 JIGE CCc1ccc(OCC(=O)NN=Cc2ccc(OC(=O)/C=C/c3ccccc3)c(OC)c2)cc1 254833274 FKGDUDBFCZACNR-FQVYAFQLSA-N 458.514 4.406 50 10 JIGE CCN(CC)c1ccc(C=NNC(=O)NN=Cc2ccc(N(CC)CC)cc2OC)c(OC)c1 254840091 VUUHAKXGTITHCO-UHFFFAOYSA-N 468.602 4.063 50 10 JIGE CC(C)(C)OC(=O)NC[C@](C)(CI)OC[C@@H]1C[C@H]2CCCC[C@H]2O1 379136907 RCFMGTZGYKAXME-FSZRXZPDSA-N 453.361 4.069 50 10 JIGE N#CCCn1cc(/C=C(/C#N)C(=O)OCCNC(=O)c2cc3c(s2)CCCC3)c(-c2ccccc2)n1 920149997 HQDMRWDGAMZTIB-QNGOZBTKSA-N 499.596 4.284 50 10 JIGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)N(C)c2ccc3ccccc3c2)cc1 920851004 GWZCGUNPLMVWJF-JCMHNJIXSA-N 479.540 4.157 50 10 JIGE CN(C)C(=O)/C(C#N)=C/c1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Br)c1 1084051094 ZOTRTMZBTAEEFL-VIZOYTHASA-N 463.715 4.375 50 10 JIGE CCOc1ccccc1C=NNC(=O)COc1c(C)cc(Br)cc1Br 1084405851 UIJOYCQSZHSNJY-UHFFFAOYSA-N 470.161 4.448 50 10 JIGE Cc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 1084409528 FDEDQEXCNSGIQX-JOCHJYFZSA-N 453.926 4.410 50 10 JIGE CC(=O)N1CCN(C(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)[C@H](C)C1 1516095373 BXOZHMLAOKIXRJ-SKCQWOFPSA-N 459.377 4.387 50 10 JIGE COc1ccc(OC)c(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc([N+](=O)[O-])cc2)CCC3)c1 1772744726 IMGOPAJZSVCLJC-UHFFFAOYSA-N 492.488 4.236 50 10 JIGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc(Cl)c2)cc1O 1865682304 LQHWXRKVAWEASD-INIZCTEOSA-N 462.815 4.477 50 10 JIGE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@H]2c1cc(Br)c(O)c(OCC)c1 1865688492 TYGBQKISELACKI-CYBMUJFWSA-N 487.276 4.397 50 10 JIGE CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3CC(C)C)cc1OC 1865696965 MBGDDUBCHKDZMB-SFHVURJKSA-N 475.387 4.489 50 10 JIGE N#CSc1ccc(NC(=O)[C@H](CSCc2ccccc2)NC(=O)c2ccc(Cl)nn2)cc1 1867271413 JKLSWGIYWBVSJF-IBGZPJMESA-N 484.006 4.374 50 10 JIGE N#C/C(=C(/O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1nc(-c2ccc3c(c2)OCCO3)cs1 1872750350 CCWHUQKCZILFII-LTXLMFNASA-N 459.527 4.423 50 10 JIGE O=C(N[C@@H](CBr)CC1CCCC1)c1cc(I)ccc1O 1926729766 WTNUSDGUAHRYOL-GFCCVEGCSA-N 452.130 4.070 50 10 JIGE Cc1nn(CC(=O)NN=Cc2ccc(OC(=O)c3ccc(Cl)cc3)cc2)c(C)c1Br 1933279728 BVTWTFYSRKVNQN-UHFFFAOYSA-N 489.757 4.285 50 10 JIGE C[C@](CBr)(NC(=O)c1cc(Cl)ccc1I)C(F)F 2043176778 NYVDAAUAXZWZGL-LLVKDONJSA-N 452.464 4.093 50 10 JIGE C#CC[C@](C)(CBr)CNC(=O)c1cc(Br)c(Br)s1 2084840772 HMZLUZLXKBBCFH-GFCCVEGCSA-N 458.013 4.427 50 10 JIGE CN(Cc1ccccc1)[C@H]1CCN(S(=O)(=O)c2ccc(CCl)c(Br)c2)C1 2095824426 YBLSVMPAAMFKAK-KRWDZBQOSA-N 457.821 4.083 50 10 JIGE O=S(=O)(NC[C@H](CBr)C(F)(F)F)c1cc(Cl)c(Br)s1 2105268184 KKALETJWQADFIQ-BYPYZUCNSA-N 465.538 4.016 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@@H]2C[C@H](C[C@H]2Br)C1 2107293229 QYGHMHAIXFEKHA-VYUIOLGVSA-N 498.984 4.299 50 10 JIGE O=C(N[C@@H]1C[C@H](CCl)[C@H]2C[C@@H]21)c1ccc(I)c(Br)c1 2110544797 ZPVXUNBQXUXRCD-ORXSELOVSA-N 454.533 4.047 50 10 JIGE BrCc1c(Br)cccc1-n1cnc2c(I)ncnc21 2121247687 GQZMRZZHBWRCGJ-UHFFFAOYSA-N 493.928 4.078 50 10 JIGE COc1cc(F)c(Cl)cc1[C@H](Br)c1cnn(C)c1I 2142370883 AGTQSBILADCLBU-NSHDSACASA-N 459.484 4.310 50 10 JIGE CCn1cc(CC(CBr)(CBr)c2ccccc2Br)nn1 2143660312 PLUKGYKSWBOJQM-UHFFFAOYSA-N 466.015 4.331 50 10 JIGE FC(F)(F)c1cnc(N2C[C@H]3[C@H](Br)CC[C@H]3C2)c(I)c1 2144219546 FWOLJPJLLCOLTC-FXBDTBDDSA-N 461.063 4.315 50 10 JIGE CC(C)(C)C[C@H](CBr)CNC(=O)Cc1ccccc1I 2156332736 BAPYETWRMHUVQZ-GFCCVEGCSA-N 452.174 4.397 50 10 JIGE O=C(OCc1ccccc1)N1C[C@@H](NS(=O)(=O)c2ccc(CBr)cc2)C2(CCC2)C1 2162590895 GJDMUTMRYYAPJD-HXUWFJFHSA-N 493.423 4.051 50 10 JIGE CN(C[C@H]1C[C@@H](Br)C1)c1nc([C@@H](CCC(=O)O)NC(=O)OC(C)(C)C)cs1 2198786310 BGWFPRWWGWTBIX-FRRDWIJNSA-N 462.410 4.183 50 10 JIGE O=S(=O)(C[C@H](Cl)c1ccc(Br)cc1I)N1CCCCC1 2207269300 PZNBULMIZQUBIV-LBPRGKRZSA-N 492.604 4.149 50 10 JIGE C[C@@]1(CBr)C=CCN1C(=O)c1cc(Br)ccc1I 2221460751 IZNINUKVGMLGEF-ZDUSSCGKSA-N 484.957 4.219 50 10 JIGE C[C@H]1C[C@@H](C(F)(F)F)N(CCCCI)CCN1C(=O)OC(C)(C)C 2248245559 GNOBIHWZUPIJHT-STQMWFEESA-N 464.310 4.464 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N[C@@H]1CC[C@@H]2C[C@]21CBr 2295313728 OBXYMEPKUWRNHW-YVLXSGLVSA-N 466.011 4.434 50 10 JIGE Cc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccc(N(C)C)cc1 2313546042 YPQAKFALFQIDLV-UHFFFAOYSA-N 453.590 4.416 50 10 JIGE Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(N(CCCl)CCCl)cc3)C2=O)c(C)c1 2313547813 CPKIUXQMNQWBKC-UHFFFAOYSA-N 460.361 4.254 50 10 JIGE CCOc1cc(C=NNC(=O)c2ccc3[nH]c4c(c3c2)C[C@@H](C)CC4)cc([N+](=O)[O-])c1OC 2323166681 NGTLXYNXKDQFHR-AWEZNQCLSA-N 450.495 4.372 50 10 JIGE Clc1ccc(I)cc1CN1CCO[C@@H]2C[C@@H](Br)C[C@H]21 2352431077 CBWQFCSAAGDCDT-ZLKJLUDKSA-N 456.549 4.071 50 10 JIGE O=C(NCC(F)(F)C(F)(F)CI)c1ccc(Br)cc1F 2361685325 XVEKDORQZVYNOS-UHFFFAOYSA-N 471.989 4.024 50 10 JIGE CC(C)(C)OC(=O)NCC[C@H]1CCN(C(=O)C2CC(Br)C2)[C@H](C(F)(F)F)C1 2362758792 YZFLAWMXSMDDQN-ABXWRUBCSA-N 457.331 4.244 50 10 JIGE N#CC1=C(N)Oc2[nH]nc(-c3cccc([N+](=O)[O-])c3)c2[C@H]1c1cc(Br)ccc1F 2483975 SQYAOFULSRLSIM-HNNXBMFYSA-N 456.231 4.105 50 10 JIGE O=C(COc1ccc2ccccc2c1)NNC(=S)NC(=O)c1ccccc1OCCc1ccccc1 10510710 QYSUZYMLOQCRHP-UHFFFAOYSA-N 499.592 4.176 50 10 JIGE O=C(Cc1cccc2ccccc12)NNC(=S)NC(=O)C(c1ccccc1)c1ccccc1 12502764 SHSBIMBHJZMAFG-UHFFFAOYSA-N 453.567 4.236 50 10 JIGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(Cl)cc2Cl)cc1 13983506 BAKNUVGRSGSJDI-GFCCVEGCSA-N 454.379 4.221 50 10 JIGE COc1cccc2cc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)C(=O)NC[C@@H]3CCCO3)oc12 33515836 HPQKFEMCCZAINZ-JJEHFPDLSA-N 468.513 4.496 50 10 JIGE C=CCN1C(=O)/C(=C/c2ccc(N(CC)CC)cc2)S/C1=N/NC(=O)c1ccccc1O 33781030 WYWAWMKLTOKGFS-UDYMOMHISA-N 450.564 4.042 50 10 JIGE COc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cc(OC)c(OC)c(OC)c1 38660448 GXZQERSAVOZGPU-DEOSSOPVSA-N 488.496 4.158 50 10 JIGE COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccco3)ccc21 38660722 LDOANJBIQZYPSH-HXUWFJFHSA-N 467.275 4.488 50 10 JIGE O=C(NNc1ncnc(Nc2cc(C(F)(F)F)ccc2Cl)c1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 40583285 JBFASZMDNPQYKA-UHFFFAOYSA-N 497.777 4.466 50 10 JIGE O=C(NNc1ncnc(NCc2ccccc2Cl)c1[N+](=O)[O-])c1ccccc1Br 40658394 NSEGJCYRRWWDEL-UHFFFAOYSA-N 477.706 4.170 50 10 JIGE COc1ccc(C)cc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)COc1ccccc1)CCC2 40816003 QKIFASHVJCSIHD-TURZUDJPSA-N 461.518 4.393 50 10 JIGE COc1cc([N+](=O)[O-])ccc1-n1nc(C)c(/C=N/NC(=O)c2cc(F)c(F)cc2Cl)c1C 59166127 ZPXFIDUECOAQFS-PGGKNCGUSA-N 463.828 4.101 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N[C@H](CBr)C(C)C)cc1Br 136668833 WCVWLMUYKGQWQI-LLVKDONJSA-N 478.044 4.218 50 10 JIGE CCC(CBr)(CBr)NC(=O)c1csc(I)c1 232867808 PSAFDDCXCMOAAT-UHFFFAOYSA-N 480.991 4.021 50 10 JIGE CC[C@](C)(CBr)NC(=O)c1cc(Br)ccc1I 234115463 YARLIFRWZUSDPP-GFCCVEGCSA-N 474.962 4.347 50 10 JIGE COc1cc(C=NNC(=O)CSc2nc3ccccc3n2Cc2ccccc2)cc(OC)c1OC 254815394 SHOFEICGUCPDEY-UHFFFAOYSA-N 490.585 4.353 50 10 JIGE CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NN=C(C)Cc2ccc(OC)cc2)cc1 254843335 MQHFPVVJIGWQTQ-UHFFFAOYSA-N 481.574 4.243 50 10 JIGE CCn1c(SCC(=O)NN=Cc2cnc3ccccc3n2)nnc1[C@@H]1C[C@@H]1c1ccc(Cl)cc1 254876510 OWSSRPBNNBBRME-RTBURBONSA-N 492.008 4.408 50 10 JIGE O=S1(=O)CCC[C@H]1COc1c(Br)cc(CBr)cc1Br 694414746 CAKGOIVCYWOSEJ-VIFPVBQESA-N 477.012 4.063 50 10 JIGE CCOC(=O)O[C@]1(C(=O)CCl)CC[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@@]21C 725239784 AXXPSUGJNHPWJA-WKXSYDTISA-N 485.404 4.346 50 10 JIGE O=S1(=O)CCC[C@@H]1CC(CBr)(CBr)c1ccccc1Br 822172989 VSPSYLLUJWFCKB-LLVKDONJSA-N 489.067 4.444 50 10 JIGE O=[N+]([O-])c1cc([C@H]2CN(Cc3ccccc3)C[C@H]2CI)cc([N+](=O)[O-])c1 1614632771 FBRLICABURNEEV-CRAIPNDOSA-N 467.263 4.154 50 10 JIGE N#CSc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc(-c3ccco3)on2)cc1 1866642138 QMGQLKOUOUVQKJ-IBGZPJMESA-N 458.499 4.488 50 10 JIGE O=S(=O)(c1cc(Cl)c(Br)s1)N1C[C@@H](CBr)C2(CCC2)C1 1914028991 SQCSWXKSMDGUEF-MRVPVSSYSA-N 463.644 4.350 50 10 JIGE C[C@H]1C[C@@H](Br)CCN(c2ncc(I)cc2Br)C1 2015765693 KAGPIUSJOAXCKL-IUCAKERBSA-N 473.978 4.449 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC[C@@H]2C[C@@]23CCCOC3)C1 2077655445 XAXUXGIQGWVHRO-KFKAGJAMSA-N 465.372 4.024 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CC[C@H](Br)C2(CC2)C1 2093180710 MYSNTVBXDTZAFA-LBPRGKRZSA-N 498.984 4.443 50 10 JIGE CC(C)[C@H](Br)CN(C)S(=O)(=O)c1cc(Br)ccc1Br 2111351709 SXAVMGHBKAPTJL-LLVKDONJSA-N 478.044 4.252 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC[C@@H]2C[C@H]2C2CCOCC2)C1 2135993995 PUJWCHWVNLAUMJ-ABSDTBQOSA-N 479.399 4.270 50 10 JIGE CN([C@H]1CN(Cc2ccccc2)C(C)(C)C1)S(=O)(=O)c1cc(CCl)oc1Br 2154840255 PWUWWPWLXMSGBF-OAHLLOKOSA-N 475.836 4.455 50 10 JIGE CC(C)(CBr)[C@H]1CCCN1C(=O)c1cc(I)ccc1F 2169660573 ATAZEGYXUYYKDL-CYBMUJFWSA-N 454.121 4.456 50 10 JIGE C[C@@H]1[C@H](O[C@H](CI)c2cccc(Br)c2)C2CCN1CC2 2198009243 JTAPGXTTYBBIPY-LYRGGWFBSA-N 450.158 4.425 50 10 JIGE CS(=O)(=O)C1([C@@H](Br)c2cc(Br)c(Br)cc2F)CC1 2218597775 OUNDMIIJWCJJDS-JTQLQIEISA-N 464.976 4.364 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1CCC12CC(CBr)C2 2268339871 JIUHDMYVDLTWDR-UHFFFAOYSA-N 454.533 4.334 50 10 JIGE COCCCNC(=O)C(C#N)=Cc1c(Oc2ccc(Cl)cc2Cl)nc2c(C)cccn2c1=O 2296544422 BRSVTANMWGCYNX-UHFFFAOYSA-N 487.343 4.162 50 10 JIGE COc1cc(Br)c(OCCOCCI)cc1Br 2306829824 BFJWVZRXQIHUDQ-UHFFFAOYSA-N 479.934 4.051 50 10 JIGE CC(C)(C)OC(=O)N1CCC(CI)(OC[C@H]2C[C@]23CC3(F)F)CC1 2307387542 VJHVDPFQNOPXIW-WBMJQRKESA-N 457.299 4.253 50 10 JIGE COc1cc(C=C2C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1 2314618113 HMGZOUFWISSHKU-OAQYLSRUSA-N 458.514 4.045 50 10 JIGE C[C@@H](Cl)c1nc2cccc(Br)c2n1-c1c(I)cnn1C 2381857178 MKEFYXQCDGAEDN-SSDOTTSWSA-N 465.520 4.426 50 10 JIGE CCOc1ccc(NC(=O)CCC(=O)NNC(=O)[C@H](CC)Oc2ccccc2[C@H](C)CC)cc1 10683391 YJXTUORXZYONGR-GCJKJVERSA-N 469.582 4.323 50 10 JIGE COc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(-c3ccccc3)cc2)cc1Br 12570336 BISYMBGXPKKRIB-UHFFFAOYSA-N 484.375 4.074 50 10 JIGE O=C(NNC(=O)c1sc2ccccc2c1Cl)c1ccccc1I 12572463 VJUOWWNKBZSGGZ-UHFFFAOYSA-N 456.692 4.234 50 10 JIGE C=CCOc1ccc(C=NNC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)cc1 16269039 ZEELNTULNWGTRY-UHFFFAOYSA-N 477.586 4.214 50 10 JIGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)c1OC 38658831 OBKOIBBQPYPNCS-JOCHJYFZSA-N 473.441 4.049 50 10 JIGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)cc1 38677151 GNFJZKWZPTYHDV-VWLOTQADSA-N 471.469 4.360 50 10 JIGE COc1ccccc1C(=O)NNc1ncnc(N(Cc2ccccc2)Cc2ccccc2)c1[N+](=O)[O-] 40607336 JBPCPACGCRKZJH-UHFFFAOYSA-N 484.516 4.357 50 10 JIGE Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1/C=N/NC(=O)CSCc1ccc(Cl)cc1 59147130 CYWRDMDAOCZXRH-FOKLQQMPSA-N 457.943 4.434 50 10 JIGE COc1cc(/C=N/NC(=O)COc2cc(C)cc(C)c2)ccc1OCc1ccc(C(=O)O)cc1 59166038 VVLJHASRRAXYGR-MZJWZYIUSA-N 462.502 4.118 50 10 JIGE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc3c(c2)OCO3)cc1 96572043 GWRZWKXVLLMQDL-FCOGCSPRSA-N 484.556 4.183 50 10 JIGE O=S(=O)(NCc1cccc(CBr)c1)c1ccc(Br)cc1Cl 137020812 PXSDCLHTLNEPTK-UHFFFAOYSA-N 453.583 4.476 50 10 JIGE CC(C)(C)OC(=O)NC[C@](C)(CI)OC[C@@H]1C[C@@H]2CCCC[C@@H]2O1 379136910 RCFMGTZGYKAXME-XSWJXKHESA-N 453.361 4.069 50 10 JIGE CO[C@@]1(CBr)CCCN(C(=O)c2ccc(Br)cc2Br)C1 401778961 ALAZKLCIHVAODW-CQSZACIVSA-N 469.999 4.228 50 10 JIGE O=S1(=O)CCC[C@@H]1COc1c(Br)cc(Br)cc1CBr 694420433 YWPCEAWPFCMJCZ-SNVBAGLBSA-N 477.012 4.063 50 10 JIGE C=CCOc1c(I)cc(C=NNC(=O)c2ccc(OCC)cc2)cc1OCC 1084309857 NVBMGOQWMDRYJX-UHFFFAOYSA-N 494.329 4.417 50 10 JIGE COc1ccc(C=NNC(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)cc1OCn1cccn1 1084310024 LWHGBBRXKJMLTH-UHFFFAOYSA-N 487.491 4.084 50 10 JIGE CCC1(NS(=O)(=O)c2ccc(CBr)cc2)CCN(C(=O)OC(C)(C)C)CC1 1260514541 XJVXDDLEWFNSJV-UHFFFAOYSA-N 461.422 4.040 50 10 JIGE CC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)NNc3cccc(Cl)c3C)cc2)cc1 1623505894 WJWUPYIZMGOIFP-UHFFFAOYSA-N 457.939 4.409 50 10 JIGE O=C(COc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1F)Nc1cccc(Cl)c1 1858683147 BNRUAVCNMWQDPW-UHFFFAOYSA-N 460.805 4.411 50 10 JIGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OC)c(OC)c2)cc1 1865706652 BWCKBBFCBWLXHG-GOSISDBHSA-N 472.423 4.135 50 10 JIGE CC[C@](C)(NC(=O)c1nc(C(F)(F)F)n2ccccc12)C(=O)Nc1ccc(SC#N)cc1 1867288021 WCUWYXMSJXASNE-FQEVSTJZSA-N 461.469 4.463 50 10 JIGE O=C(c1csc(Br)c1Br)N1C[C@@H](Br)[C@H](Br)C1 1897060713 MXNFRLGRNRIEGO-PHDIDXHHSA-N 496.844 4.256 50 10 JIGE O=S(=O)(NCC[C@H]1CCC[C@H]1Br)c1cc(Cl)c(Br)s1 1913796020 IYMHNHLVTOIWEB-HTQZYQBOSA-N 451.633 4.396 50 10 JIGE O=S(=O)(c1cc(Br)cs1)N(CCCBr)Cc1ccccc1 1914643948 RKIRPDSIOPZUHM-UHFFFAOYSA-N 453.221 4.487 50 10 JIGE C[P@@]1(=O)C[C@H](NC(=O)c2scc(Br)c2Br)[C@@H](Br)C1 2057716905 DQDYWKACIUVBRR-WKPXFBNNSA-N 479.956 4.142 50 10 JIGE COCCN(Cc1ccccc1)S(=O)(=O)c1cc(Br)cc(CBr)c1F 2059292545 YJODXLLLPQIASL-UHFFFAOYSA-N 495.208 4.320 50 10 JIGE CCN(CC)S(=O)(=O)C[C@@H](Cl)c1cc(Br)ccc1I 2089390801 DZCTUFOSQFZPMA-LLVKDONJSA-N 480.593 4.005 50 10 JIGE O=C(N[C@H](CBr)c1cscn1)c1ccc(I)c(Cl)c1 2119037529 DNGFWAQINYACTJ-SNVBAGLBSA-N 471.545 4.267 50 10 JIGE O=C(N[C@H](CBr)CC1CCCCC1)c1cc(I)sn1 2120033549 TTWCUGIIVNNFSU-JTQLQIEISA-N 457.175 4.211 50 10 JIGE FC(F)(F)c1cnc(N2CC[C@H](Br)C3(CC3)C2)c(I)c1 2149581104 YKCMXHGWHQXDNR-JTQLQIEISA-N 461.063 4.459 50 10 JIGE CC(C)(C)OC(=O)N[C@@H](C[S@](C)(=O)=NC(=O)N1CCC(Br)CC1)C(C)(C)C 2162868425 PXSGJIWJIFWGDW-PWFNWSNSSA-N 468.458 4.003 50 10 JIGE CC[C@]1(CBr)COCCN1C(=O)c1cc(Br)cc(Br)c1 2169033105 MSTFDCMJYGTEHX-AWEZNQCLSA-N 469.999 4.228 50 10 JIGE O=C(c1cc(I)ccc1F)N1[C@H]2CCC[C@@H](Br)[C@H]1CC2 2169663764 JLNCPFHMWGZQSD-ZKYQVNSYSA-N 452.105 4.351 50 10 JIGE CCCOc1ccc(S(=O)(=O)N(CCOC)Cc2ccccc2)cc1CBr 2179834734 LYVLYXJNZZSZTI-UHFFFAOYSA-N 456.402 4.208 50 10 JIGE CCC[C@@H]1CN(C(=O)c2ccc(F)cc2I)C[C@@H]1CBr 2205703463 NEQZNHQMRHFMIH-MNOVXSKESA-N 454.121 4.314 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1CC(F)(F)C[C@H]1CBr 2268344435 KXTLANWMGWNEPA-QMMMGPOBSA-N 464.475 4.189 50 10 JIGE COc1ccc(N2C(=O)[C@H](Cc3ccccc3C)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314592898 DFSAQJDHOFWAFL-QHCPKHFHSA-N 473.554 4.339 50 10 JIGE COc1ccc(N2C(=O)[C@H](Cc3ccccc3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314593026 GBRBLPCRMQRSAA-QFIPXVFZSA-N 459.527 4.031 50 10 JIGE C=CCOc1ccc(C=C2C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1 2314617247 UMMBYKAOMDDSMR-UHFFFAOYSA-N 458.514 4.104 50 10 JIGE CC(C)(C)OC(=O)NCC[C@@H]1CCN(C(=O)[C@H]2C[C@@H](Br)C2)[C@@H](C(F)(F)F)C1 2362758816 YZFLAWMXSMDDQN-YIYPIFLZSA-N 457.331 4.244 50 10 JIGE COc1ccc([C@H](Br)c2c(Br)c(Br)nn2C)c(OC)c1 2364064753 VNGCODWVOPASGV-JTQLQIEISA-N 468.971 4.447 50 10 JIGE Cc1c(N(C)Cc2c(Br)c(Br)nn2C)ccnc1CBr 2364375586 BIYJGKTZTMYBNU-UHFFFAOYSA-N 467.003 4.180 50 10 JIGE Cc1cc(C=NNC(=O)c2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(I)cc1 706201 RXCOBXCKNOKTNQ-UHFFFAOYSA-N 488.285 4.371 50 10 JIGE Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=O)c1cccc(OCCOc2ccccc2)c1 14040897 PXXVWLWLFZZAKI-UHFFFAOYSA-N 495.963 4.286 50 10 JIGE COC(=O)c1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)N3CCN(c4ccccc4)CC3)c2C)c1C 33417086 WLZZVGLTBWOMTG-HKOYGPOVSA-N 482.584 4.445 50 10 JIGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccccc3C#N)cc2)cc1 58892792 PODVMMJOCBRELA-XBKLCXBFSA-N 457.530 4.500 50 10 JIGE C/C(CC(=O)Nc1c(C)cc(C)cc1C)=N\NC(=O)c1ccccc1I 100979725 DTLIVOFAGZKTHC-HZHRSRAPSA-N 463.319 4.351 50 10 JIGE CCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2)cc1 206700434 ZZIRTFBAOKJADM-BILXGNRESA-N 467.481 4.414 50 10 JIGE CC(C)[C@H](Br)CNC(=O)c1cc(I)ccc1Br 232867972 RLPQNPIVJACHNG-LLVKDONJSA-N 474.962 4.203 50 10 JIGE COc1ccc(/C=C/C(=O)Oc2ccc(C=NNC(=O)COc3ccc(C)c(C)c3)cc2)cc1 254404817 SPPXZQRALXLGOA-HZUGMTNWSA-N 458.514 4.460 50 10 JIGE COc1ccc(C(C)=NNC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)cc1OC 254813987 RCHIBXVZKYJVTC-UHFFFAOYSA-N 495.601 4.056 50 10 JIGE COc1cc(N)ccc1[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CI 382709068 GHHSZALXRBJGNP-YJBOKZPZSA-N 466.319 4.065 50 10 JIGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1CC2CC1(CBr)C2 694589050 OLHKFJMNTIRUDN-UHFFFAOYSA-N 464.006 4.304 50 10 JIGE CCO[C@H](CO[C@]1(CI)CCCN(C(=O)OC(C)(C)C)C1)C1CC1 703479107 NOKFZARVKUQUHL-QAPCUYQASA-N 453.361 4.023 50 10 JIGE Cc1nn(C)c2c1nc(CCCl)n2CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705784385 XXBQBRKISUNJIX-UHFFFAOYSA-N 464.013 4.331 50 10 JIGE CC(C)(C)c1ccc(C(=O)NNS(=O)(=O)c2csc(-c3ccc(Br)cc3)n2)cc1 726932542 ZXKATJZEPNRKBK-UHFFFAOYSA-N 494.436 4.493 50 10 JIGE CCOc1ccc(C(=O)NNC(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)cc1OC 916222488 FBIVQYBLIAJAEX-UHFFFAOYSA-N 453.470 4.170 50 10 JIGE O=C(COc1ccc([N+](=O)[O-])cc1)NN=Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 1084549608 LRQFTHZTWNXAPJ-UHFFFAOYSA-N 459.437 4.116 50 10 JIGE C#C[C@H](NC(=O)NNc1c(F)cc(F)cc1Br)c1ccc(Br)cc1 1252457751 DIVYKQXWKVDGAE-AWEZNQCLSA-N 459.088 4.490 50 10 JIGE C#Cc1cccc(NC(=O)CN(C)C(=O)/C(C#N)=C/c2cc(C)n(-c3ccccc3F)c2C)c1 1527475370 FVWGCJRFXMDLRH-PXLXIMEGSA-N 454.505 4.219 50 10 JIGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC(C)C)cc(OC)c1OC 1865692297 KZMUGHPIXSLLGE-NRFANRHFSA-N 460.534 4.450 50 10 JIGE COc1ccc(-c2ccc(C(=O)NNC(=O)c3ccc(C(F)(F)F)cc3)c(C)n2)cc1OC 1865758167 MMUPBGLBOUTOIV-UHFFFAOYSA-N 459.424 4.168 50 10 JIGE COc1ccc(-c2ccc(C(=O)NNC(=O)c3ccc(CSC(C)C)o3)c(C)n2)cc1OC 1865759388 XYWFYBOSDCNJHG-UHFFFAOYSA-N 469.563 4.384 50 10 JIGE CCC[C@@H](NC(=O)c1cc(C)n(-c2ccccc2F)n1)C(=O)Nc1ccc(SC#N)cc1 1867167925 NUHQHQBVBKQAEP-LJQANCHMSA-N 451.527 4.430 50 10 JIGE Cc1ccc(-c2csc(/C(C#N)=C(\O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)c(C)c1 1872748558 CHGSBIOTQPPNJN-MNDPQUGUSA-N 460.471 4.424 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@@H]2CC[C@@]2(CCl)C1 1903930075 CXNYBKFHWPURGJ-LKFCYVNXSA-N 454.533 4.145 50 10 JIGE O=C(Nc1ccc(I)c(Br)c1)[C@H]1C[C@H](Br)C1 1991421107 GMWXPYATQNFSQK-LJGSYFOKSA-N 458.919 4.166 50 10 JIGE CN1CCC[C@@H]([C@H](Br)c2scc(Br)c2Br)S1(=O)=O 2029049153 FTERQUJOIUZWDL-CBAPKCEASA-N 482.057 4.133 50 10 JIGE CCOc1ccccc1-n1nnnc1S[C@H](C)C(=O)C(C#N)=C1Nc2ccccc2S1 2040425436 WKKPCKLYLQQPQH-CYBMUJFWSA-N 450.549 4.064 50 10 JIGE CC[C@@H](C)[C@H](CI)NC(=O)c1cc(I)ccc1F 2081244953 BFMJXIFYKWSOJH-PELKAZGASA-N 475.083 4.010 50 10 JIGE Brc1ccc(CN2CC3(C2)OCCC[C@H]3Br)c(Br)c1 2103421771 FOCFLLMAAWMCMN-CYBMUJFWSA-N 454.000 4.340 50 10 JIGE O=C(N[C@H]1C[C@H]2C[C@H]1C[C@@H]2Br)c1ccc(Br)cc1I 2142284555 DTFHBZDZORFUSQ-YXPMNYRZSA-N 498.984 4.346 50 10 JIGE O=S(=O)(NCc1scc(Br)c1Br)c1cccc(CCl)c1 2150582583 KZYVXJURTOGLKP-UHFFFAOYSA-N 459.612 4.490 50 10 JIGE CCOc1ccc(NS(=O)(=O)[C@H]2C[C@H](OCc3ccccc3)C2)cc1CBr 2161295160 HCKUOEHQDYUEKU-WGSAOQKQSA-N 454.386 4.470 50 10 JIGE CC(C)(C)OC(=O)NC[C@]1(C(F)(F)F)CCCN1C(=O)[C@H](Br)C1CCCC1 2167034309 WBYXIIIKYSNNAD-DYVFJYSZSA-N 457.331 4.388 50 10 JIGE Cc1c(CBr)cccc1S(=O)(=O)N(C)C[C@@H]1CCN(Cc2ccccc2)C1 2179795642 UMSRVADVQKHASD-IBGZPJMESA-N 451.430 4.033 50 10 JIGE CC1(C)CO[C@H](CO[C@H](CI)c2cccc(Br)c2)CO1 2179852596 XHQLJGFOBUYTTN-ZIAGYGMSSA-N 455.130 4.136 50 10 JIGE C[C@H](NC(=O)c1c(Br)cccc1Br)c1nnc(CBr)s1 2192602216 HURBSYXFNIVNOM-LURJTMIESA-N 484.011 4.449 50 10 JIGE CN(C[C@H]1C[C@H](Br)C1)S(=O)(=O)c1cc(CBr)ccc1Br 2196930358 RXDYVRJDBCZQCO-XYPYZODXSA-N 490.055 4.138 50 10 JIGE CCN(C[C@](C)(CI)O[C@@H]1CC[C@H]2[C@H]1C2(F)F)C(=O)OC(C)(C)C 2216577075 NEUHJNMMEDQNHS-VLXAULBPSA-N 459.315 4.497 50 10 JIGE CC[C@@H](Br)c1cn(-c2ccc(Br)cc2I)nn1 2217171839 FVAMQYHMHFAZCO-MRVPVSSYSA-N 470.934 4.480 50 10 JIGE Cc1ccc(C(=O)N2CC[C@H](CCBr)[C@@H](C)C2)cc1I 2232830084 KTVVTFIVAMIUJD-STQMWFEESA-N 450.158 4.483 50 10 JIGE Cc1ccc(C(=O)NN=Cc2cc(Br)ccc2OC(=O)C=Cc2ccco2)cn1 2294224200 HLUFKIACXPFRGE-UHFFFAOYSA-N 454.280 4.128 50 10 JIGE COc1ccc(OC)c(C=NNC(=O)C(=CC=Cc2ccccc2)NC(=O)c2ccccc2)c1 2297321282 HPGCTSQDJIXFQK-UHFFFAOYSA-N 455.514 4.181 50 10 JIGE COc1cc(C=C(C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OC 2313518249 ZVNKXDZGCLSKCY-UHFFFAOYSA-N 462.287 4.471 50 10 JIGE COc1cc(C=C(C#N)C2=NN(c3ccccc3)[C@H](N)[C@@H]2C#N)ccc1OCc1cccc(C(=O)O)c1 2313564943 HLJFPZDMRNVKAB-KCWPFWIISA-N 493.523 4.180 50 10 JIGE CC(C)(C)OC(=O)NC[C@](C)(CI)O[C@H]1CCOc2ccc(F)cc21 2316974635 KFXKVWXHFNQZEL-YJBOKZPZSA-N 465.303 4.384 50 10 JIGE COc1cc(C=C(C#N)c2ccccc2F)ccc1OC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O 2320506788 ROZNATPLMQZAFG-INIZCTEOSA-N 470.456 4.489 50 10 JIGE Cc1ccc(-c2csc3ncn(CC(=O)NNC(=O)C=Cc4ccc(C(C)C)cc4)c(=O)c23)cc1 2325894525 PPBLJRZLNNQALF-UHFFFAOYSA-N 486.597 4.418 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@H]2CC[C@@H](Br)[C@H]2C1 2328657308 WEMGXWGCBLRYJH-JFUSQASVSA-N 498.984 4.299 50 10 JIGE CC(C)(C)OC(=O)NCC[C@@H]1CCN(C(=O)C2CC(Br)C2)[C@@H](C(F)(F)F)C1 2362758794 YZFLAWMXSMDDQN-BLYZHGLHSA-N 457.331 4.244 50 10 JIGE COc1c(Br)cc(C)c([C@H](Br)C2(C)CS(=O)(=O)C2)c1Br 2365238817 ZZXLXCPBOUGXMG-LBPRGKRZSA-N 491.039 4.399 50 10 JIGE COc1cc([C@@H]2C(C#N)=C3N=C(N)c4ccccc4N3C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC 3654556 RHHDQJOOQLNWQF-HSZRJFAPSA-N 484.556 4.413 50 10 JIGE COc1cc2ccccc2cc1C(=O)N/N=C/c1c(C)nn(-c2ccc([N+](=O)[O-])cc2OC)c1C 59151541 WYRQBANIPOQGRV-VULFUBBASA-N 473.489 4.332 50 10 JIGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 101336960 NHLFBODMFJPQGZ-NHMXVPMISA-N 482.515 4.450 50 10 JIGE Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)[C@@H](C(C)C)n1cnc2cc(F)c(F)cc21 109495695 ZHTWMLPDPCVHRB-LJQANCHMSA-N 469.517 4.405 50 10 JIGE O=C(N[C@@H]1CCC[C@H]1Br)c1cc(Br)ccc1I 232454455 REPYABQTGBTCFM-MWLCHTKSSA-N 472.946 4.100 50 10 JIGE O=C(NC[C@@H]1CCC[C@@H]1CCl)c1cc(Br)ccc1I 236020286 DPWUVMGOLWKGKB-ZJUUUORDSA-N 456.549 4.439 50 10 JIGE CCN(CC)c1ccc(C=NNC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc1 254364721 PLXQTJMXQZNEBO-UHFFFAOYSA-N 496.608 4.326 50 10 JIGE Nc1cc(F)ccc1[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CI 382732883 VKSALNXOAVNJJR-WMLDXEAASA-N 454.283 4.195 50 10 JIGE N#CCCn1cc(/C=C(/C#N)C(=O)Nc2ccc(-n3nccn3)cc2)c(-c2ccc(Cl)cc2)n1 915867176 DDPCUXQLYRPXFQ-JXAWBTAJSA-N 468.908 4.244 50 10 JIGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3ccc(Cl)cc3)S(C)(=O)=O)c2C)c(C)c1 1083951502 SFZVHLVHIQOFFK-UHFFFAOYSA-N 487.025 4.281 50 10 JIGE C=C(C)[C@@H](NC(=O)NNc1cc(C(=O)OC)ccc1Br)c1ccc(F)c(F)c1 1634435406 MWNSAMMQVBQLRB-QGZVFWFLSA-N 454.271 4.457 50 10 JIGE O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)NNC(=O)C(c1ccccc1)c1ccccc1 1860771336 QWHAIRRWHJVBOG-UHFFFAOYSA-N 494.576 4.105 50 10 JIGE CCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865705786 FXUJTLVFASFCHX-IBGZPJMESA-N 453.861 4.413 50 10 JIGE CSCC[C@H](NC(=O)c1nc(C2CC2)n2ccccc12)C(=O)Nc1ccc(SC#N)cc1 1866860321 DRZIIANZCDOYIW-SFHVURJKSA-N 465.604 4.275 50 10 JIGE CCCC[C@H](NC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C)C(=O)Nc1ccc(SC#N)cc1 1867203429 KRYHUGZYWNARRU-FQEVSTJZSA-N 464.591 4.441 50 10 JIGE C[C@H](Br)CN(Cc1ccccc1)C(=O)c1cc(I)ccc1O 1914606971 FGWHRNOIFSFPQC-LBPRGKRZSA-N 474.136 4.423 50 10 JIGE CCC[C@@H](CBr)CN(Cc1ccccc1)CC1(O)CN(C(=O)OC(C)(C)C)C1 1955942660 BLBQKAKITMAXBT-IBGZPJMESA-N 455.437 4.282 50 10 JIGE CCOc1ccc(I)c(I)c1CBr 2060221896 DJANDTZEVVFXEL-UHFFFAOYSA-N 466.882 4.189 50 10 JIGE O=C(N[C@@H](CCBr)C1CC1)c1ccc(Br)cc1I 2086145149 JGSMFYRFZAFDRA-LBPRGKRZSA-N 486.973 4.347 50 10 JIGE CCN1CC[C@@H]([C@@H](Br)c2cc(Br)cc(Br)c2)S1(=O)=O 2089524786 WXFBZBGEHYYSMH-RYUDHWBXSA-N 476.028 4.072 50 10 JIGE BrC[C@@H]1C[C@@H]2OCC[C@H]2N1Cc1cccc(Br)c1Br 2092331909 ZHWXIVIFLTXLLI-UHTWSYAYSA-N 454.000 4.338 50 10 JIGE Brc1cccc(CN2C[C@H]3COC[C@@H](C2)[C@@H]3Br)c1Br 2132541958 FSHHLZOCANXNED-PJXYFTJBSA-N 454.000 4.053 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1CCC12CC(CBr)C2 2160845954 AMTPVJXCVGVWDQ-UHFFFAOYSA-N 488.039 4.150 50 10 JIGE O=C(OCc1ccccc1)N1C[C@H](NS(=O)(=O)c2ccc(CBr)cc2)C2(CCC2)C1 2162590894 GJDMUTMRYYAPJD-FQEVSTJZSA-N 493.423 4.051 50 10 JIGE CC(C)(C)OC(=O)NC[C@H]1CC[S@](=O)(=NCC2(CBr)CC(F)C2)C1(C)C 2265631307 BOKBUACBIPLLFM-QAGWLICOSA-N 455.434 4.291 50 10 JIGE O=C(c1c(F)cccc1I)N1CC[C@H](Br)C(F)(F)CC1 2282811490 YYFOYBZJAAUIJI-JTQLQIEISA-N 462.047 4.065 50 10 JIGE Cc1cc(C=C(C#N)C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)c(C)n1-c1ccc(O)cc1 2296358480 NCNQWYZXBKIUMG-UHFFFAOYSA-N 492.582 4.359 50 10 JIGE COC(=O)c1ccc(COc2ccc(C=C(C#N)C(=O)NCc3ccccc3)cc2OC)cc1 2297381475 CXDOXKYKZKMGQP-UHFFFAOYSA-N 456.498 4.284 50 10 JIGE Cc1ccccc1C(=O)NNC(=O)CCCCCN1C(=O)C(=Cc2cccs2)SC1=S 2297554662 PRGPJODSPDZJIE-UHFFFAOYSA-N 473.645 4.279 50 10 JIGE CCCOc1ccc(C=C(C#N)C(=O)Nc2sc3c(c2C(=O)OC)[C@H](C(=O)OC)CC3)cc1 2314736568 OHTXORMZCVGOAL-QGZVFWFLSA-N 468.531 4.072 50 10 JIGE BrCc1cnc(OCc2cc(I)ccc2Br)nc1 2319166000 YCAFMRVOBDPJED-UHFFFAOYSA-N 483.929 4.318 50 10 JIGE COc1cc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2)cc(Br)c1O 3150132 LEPVTAKKGIMBKG-ZMOGYAJESA-N 455.308 4.359 50 10 JIGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)c2cccc(OCCOCC)c2)cc1 10277079 MOFJNUJLLKJMCR-UHFFFAOYSA-N 487.622 4.010 50 10 JIGE O=C(COc1ccccc1-c1ccccc1)NNC(=S)NC(=O)CCc1ccccc1Cl 10460149 ZGYHTLSLKDVWSH-UHFFFAOYSA-N 467.978 4.041 50 10 JIGE CCCCOc1cccc(C(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)c1 14041985 XRKRKYFRINNQSQ-QGZVFWFLSA-N 465.575 4.122 50 10 JIGE O=C(NN1C(=O)/C(=C/c2ccccn2)N=C1c1ccccc1)[C@H](Cl)CC(Cl)(Cl)Cl 15223294 BSXHGUHUKWCTCD-MKRLJBPISA-N 472.159 4.110 50 10 JIGE CC(/C=C/c1ccccc1)=N\NC(=O)c1nn(Cc2ccc(Br)cc2)cc1[N+](=O)[O-] 33303802 HNPCAGZONAAEKG-OQXHBXOGSA-N 468.311 4.421 50 10 JIGE C[C@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc([N+](=O)[O-])cc1 38654808 ODOJPFSVNXBSBF-PSLXWICFSA-N 475.432 4.325 50 10 JIGE N#CC1=C(N)Oc2cc(OC(=O)[C@H]3COc4ccccc4O3)ccc2[C@H]1c1c(F)cccc1Cl 38700588 VUDYNPULOMXCIY-FGZHOGPDSA-N 478.863 4.443 50 10 JIGE COc1ccccc1Oc1ncnc(NNC(=O)c2ccc(Cl)cc2Cl)c1[N+](=O)[O-] 40658841 XGSWYDWNNGWJGQ-UHFFFAOYSA-N 450.238 4.249 50 10 JIGE COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)c3ccc(-n4cncn4)cc3)c2C)cc1 96873018 VAAUGRVFJHFNCA-CSMVZQPBSA-N 466.545 4.468 50 10 JIGE COc1cc(/C=N/NC(=O)COc2ccc(Br)cc2Cl)cc(Br)c1O 100437508 JNAVPUUWLGCNJK-IFRROFPPSA-N 492.551 4.108 50 10 JIGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\Nc3cccc(Br)c3)C2=O)cc1 101235028 YKDYGVYFQDJYAB-KGENOOAVSA-N 466.335 4.205 50 10 JIGE CC[C@H](CCBr)NC(=O)c1cc(I)ccc1Br 234007794 UXJUUASMGNWVOX-SECBINFHSA-N 474.962 4.347 50 10 JIGE C=C(C)Cn1c(SCC(=O)NN=Cc2c(O)ccc3ccccc23)nc2ccccc2c1=O 254386433 MXBSJACLKSVDLG-UHFFFAOYSA-N 458.543 4.074 50 10 JIGE CCOc1cc(C=NNC(=O)COc2ccc(C)c(C)c2)ccc1OC(=O)c1ccc(OC)cc1 254739713 WPBHFRQFHDGIQQ-UHFFFAOYSA-N 476.529 4.459 50 10 JIGE COc1cc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1Oc1ccc([N+](=O)[O-])cn1 254741068 FRMFFBPMXKSTDW-UHFFFAOYSA-N 498.495 4.177 50 10 JIGE BrCc1cc(Br)cc(Br)c1OC[C@@H]1C[C@H]2COC[C@H]2O1 724602889 DGLIMRPHOCMWQN-XHVZSJERSA-N 470.983 4.289 50 10 JIGE Cc1ccc(NC(=O)COc2ccc(C=NNC(=O)c3c(C)nc4ccc(C)cn34)cc2)cc1 725406417 YAFPVGRERAREAD-UHFFFAOYSA-N 455.518 4.041 50 10 JIGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NN=Cc2cc(Cl)cc([N+](=O)[O-])c2O)cc1 1082753768 IFVZKULBSYMTMY-UHFFFAOYSA-N 452.854 4.278 50 10 JIGE COc1ccc(Cl)cc1N(CC(=O)NN=C(C)c1cccs1)S(=O)(=O)c1ccc(C)cc1 1084359534 SZAJJQBNLBITDB-UHFFFAOYSA-N 492.022 4.454 50 10 JIGE O=C(CCCNC(=O)c1ccccc1Cl)NN=Cc1ccc(OC(=O)c2ccccc2)cc1 1554143090 XEYJYQXVAMHDJC-UHFFFAOYSA-N 463.921 4.220 50 10 JIGE C/C(=C/c1c(Cl)cccc1Cl)C(=O)NNC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1636369610 KAJAHCRKJJPTMS-FZDNWWAKSA-N 456.370 4.191 50 10 JIGE COC(=O)c1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2F)CCC3)cc1 1772743581 CNHPHZCHZLUEIS-UHFFFAOYSA-N 463.465 4.236 50 10 JIGE COc1ccc(C(=O)NN=C2CCCc3oc(C(=O)NCCc4cccs4)c(C)c32)cc1 1772745993 OVNSLPRWRGJDIE-UHFFFAOYSA-N 451.548 4.101 50 10 JIGE CCCc1nn(C)c2c1[C@@H](c1cc(Br)c(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865698550 XBRIWIVSWVIRHG-KRWDZBQOSA-N 461.360 4.149 50 10 JIGE CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1cc(Cl)c(O)c(OC)c1)C(C#N)=C(N)O2 1865707269 SFNWRSDEYZXXDQ-LJQANCHMSA-N 454.889 4.219 50 10 JIGE COc1ccc(-c2ccc(C(=O)NNC(=O)Cc3ccc(Cl)c(Cl)c3)c(C)n2)cc1OC 1865759245 PVCVMPFTKIVGSG-UHFFFAOYSA-N 474.344 4.385 50 10 JIGE O=C(NC[C@H](CBr)C1CC1)c1cc(I)ccc1Br 2029484101 SOFAMKYNRDUWMJ-VIFPVBQESA-N 486.973 4.205 50 10 JIGE CC1(C)[C@H](CBr)OCCN1C(=O)c1cc(Br)c(Br)s1 2103389345 LXLFCPAOXYNOBY-VIFPVBQESA-N 476.028 4.288 50 10 JIGE C[C@]12CN(C(=O)c3cccc(Br)c3Br)C[C@@]1(CBr)C2 2109182074 JTBRJPUFKKOYDV-KBPBESRZSA-N 451.984 4.459 50 10 JIGE O=C(c1cccc(Br)c1Br)N1C[C@@H]2C[C@H](CBr)[C@@H]2C1 2117689294 LZAOPXNGTNQNGI-YWVKMMECSA-N 451.984 4.315 50 10 JIGE CN([C@@H]1CN(Cc2ccccc2)C(C)(C)C1)S(=O)(=O)c1ccc(CBr)s1 2123241629 LYZPVYCGGIUZEX-INIZCTEOSA-N 457.459 4.317 50 10 JIGE Cc1cc(S(=O)(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)ccc1CBr 2179785130 IDBUISDTYNWCEO-GOSISDBHSA-N 451.430 4.175 50 10 JIGE Cc1c(CBr)cccc1S(=O)(=O)N(C)[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 2179785311 KHDNNXQXKVVZRQ-UZLBHIALSA-N 451.430 4.173 50 10 JIGE CC(C)(C)SC1CN(S(=O)(=O)c2cc(CBr)sc2Br)C1 2179789116 MHEJASLZKNRADO-UHFFFAOYSA-N 463.282 4.310 50 10 JIGE C[C@H]1C[C@@H](N(C)S(=O)(=O)Cc2ccc(CBr)cc2)CN1Cc1ccccc1 2179792157 CAAJDBSLKTXKAM-LAUBAEHRSA-N 451.430 4.006 50 10 JIGE O=S(=O)(c1cc(CBr)n(C2CC2)c1)N1CCC[C@H](OCc2ccccc2)C1 2186382582 VVGCITNFWMWXMU-IBGZPJMESA-N 453.402 4.088 50 10 JIGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1nn(C)nc1Br 2277990027 MFLPHQUMBRKZKS-QMMMGPOBSA-N 474.378 4.486 50 10 JIGE Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=S)NC(=O)C=Cc1cccc2ccccc12 2313616864 CUJWQHBPGPPPPM-UHFFFAOYSA-N 495.004 4.256 50 10 JIGE CN(C[C@H]1C[C@@H](Br)C1)[C@H](CN)c1sc(Cl)cc1I 2318483711 YOIMIWPBDDSSRE-KHQFGBGNSA-N 463.610 4.111 50 10 JIGE COc1ccc(OCCNC=C(C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 2324608293 JKZKREWWVOIBNB-UHFFFAOYSA-N 496.611 4.005 50 10 JIGE C=CCN(CC=C)S(=O)(=O)c1ccc2nc(NC(=O)C(C#N)=Cc3cccc(F)c3)sc2c1 2329674356 YXMPCZZFLLETTN-UHFFFAOYSA-N 482.562 4.344 50 10 JIGE ClC[C@@H]1CC[C@H](CNCc2ccc(I)c(Br)c2)OC1 2349858140 OXBNVSRNLAQMPN-NWDGAFQWSA-N 458.565 4.177 50 10 JIGE CC(C)[C@@H](Br)C(=O)N1CC[C@@H](CCNC(=O)OC(C)(C)C)C[C@H]1C(F)(F)F 2362754309 SZXHYJPOGVZKFC-HZSPNIEDSA-N 459.347 4.490 50 10 JIGE O=C(N[C@H]1C[C@@H](CBr)C12CCC2)c1cccc(F)c1I 2379717359 GELDIKBWRUPVQH-CABZTGNLSA-N 452.105 4.114 50 10 JIGE Cc1cc(C)cc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)NCCCOC(C)C)c1 2405892 WBCUYLYZLIPRFP-QNGOZBTKSA-N 474.561 4.250 50 10 JIGE Cc1ccc(NC(=O)CCC(=O)NNC(=O)c2ccccc2OCCc2ccccc2)c(C)c1 10509001 IYURUBOLEIALJT-UHFFFAOYSA-N 459.546 4.105 50 10 JIGE CN1/C(=C(/C#N)C(=O)CSc2nnc(-c3ccc4c(c3)OCO4)o2)Sc2ccccc21 12533339 RIRCGIQIRHPXFN-DEDYPNTBSA-N 450.501 4.104 50 10 JIGE CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)OCC(=O)NC(=O)NC3CCCCC3)c2C)cc1 33581638 HGDPEHQTXREDJI-QNGOZBTKSA-N 492.576 4.102 50 10 JIGE COc1ccc(NS(=O)(=O)c2ccc(/C=C\C(=O)NNc3c(F)c(F)cc(F)c3F)cc2)cc1 33668728 DBWWCFPLDORSCL-WCIBSUBMSA-N 495.454 4.209 50 10 JIGE O=C(NNc1ncnc(Nc2ccc(Cl)cc2)c1[N+](=O)[O-])c1ccc(Br)cc1 40649067 VKVXZPNATBJOIH-UHFFFAOYSA-N 463.679 4.301 50 10 JIGE Cc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)NC4CC(C)(C)NC(C)(C)C4)c(C)c32)c1 40811415 DWRNTAFPBSEABQ-ZTKZIYFRSA-N 464.610 4.406 50 10 JIGE COC(=O)c1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)Cc1ccccc1)CCC2 40815797 IKYWKJYXSRBACY-VFCFBJKWSA-N 459.502 4.026 50 10 JIGE COc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2OC)cc1 40884551 BKWUKQDJMLFBAD-PBSFTAHRSA-N 458.470 4.139 50 10 JIGE N#C/C(=C\c1ccc(OC(=O)COc2ccc(Br)cc2)cc1)C(=O)NCc1ccco1 40929269 PCJDEBLCHDLMRP-SFQUDFHCSA-N 481.302 4.250 50 10 JIGE Cc1ccc(NC(=O)CN2C(=O)/C(=N/NC(=O)Cc3cccc4ccccc34)c3ccccc32)cc1 59159957 ZNPWNIAJZJYSDY-VEWQFJOQSA-N 476.536 4.197 50 10 JIGE CCOc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(I)c1OCC#N 59305171 TVMALZRTDDHOJS-FSJBWODESA-N 489.269 4.102 50 10 JIGE CC(=NNC(=O)COc1ccccc1[N+](=O)[O-])c1ccc(NC(=O)c2ccc(C)s2)cc1 252620316 MBTOSOVRROIPBQ-UHFFFAOYSA-N 452.492 4.136 50 10 JIGE Cc1cc([N+](=O)[O-])nn1Cc1ccc(C(=O)NN=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 254750317 LGTOCCCNQWDXFI-UHFFFAOYSA-N 474.433 4.080 50 10 JIGE CCn1c(SCC(=O)NN=Cc2cnc3ccccc3n2)nnc1[C@H]1C[C@H]1c1ccc(Cl)cc1 254876508 OWSSRPBNNBBRME-OALUTQOASA-N 492.008 4.408 50 10 JIGE COc1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)cc1 382686496 FQKZWTVATUAMGP-HKUYNNGSSA-N 451.304 4.482 50 10 JIGE CCO[C@H](CO[C@@]1(CI)CCCN(C(=O)OC(C)(C)C)C1)C1CC1 703479086 NOKFZARVKUQUHL-CRAIPNDOSA-N 453.361 4.023 50 10 JIGE COc1cc(Br)c([C@@H](Br)c2cn(C)c(Br)n2)cc1OC 829355512 XPQPLSIUFLNKEM-GFCCVEGCSA-N 468.971 4.447 50 10 JIGE COc1cc(Br)c([C@H](Br)c2cn(C)c(Br)n2)cc1OC 829355514 XPQPLSIUFLNKEM-LBPRGKRZSA-N 468.971 4.447 50 10 JIGE O=C(CSc1nnc(CCc2ccccc2)n1-c1ccccc1)NN=Cc1ccccc1O 1084322906 KKSIXRPDSVPIAU-UHFFFAOYSA-N 457.559 4.001 50 10 JIGE CC(C)(C)OC(=O)N1C[C@H](CI)[C@H](c2cc([N+](=O)[O-])ccc2F)C1 1614688647 DDQBVUSEJWYPRB-GXFFZTMASA-N 450.248 4.119 50 10 JIGE C/C(=N/NC(=O)[C@@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(C)cc1 1615525695 BPKPAUYPDYETNR-RQSLOQTLSA-N 498.583 4.031 50 10 JIGE CCOC(=O)c1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccoc1C)CCC2 1772748362 CFLWKEHKRREYIJ-UHFFFAOYSA-N 463.490 4.389 50 10 JIGE CSCC[C@@H](NC(=O)c1cc(-c2ccccc2)on1)C(=O)Nc1ccc(SC#N)cc1 1866823894 JPKPAVMKGZUDCI-GOSISDBHSA-N 452.561 4.405 50 10 JIGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@H]2C(=O)NC2CCCCC2)n1 1868253065 BISCWGVOHLRCQW-NRFANRHFSA-N 480.638 4.400 50 10 JIGE COc1cc(/C=N/NC(=O)CCc2nc3ccccc3[nH]c2=O)ccc1OCc1cccc(Cl)c1 1873496130 DTKUANFKXUZKFT-RWPZCVJISA-N 490.947 4.247 50 10 JIGE Br[C@@H]1C[C@H]1[C@@H](Br)c1cc(I)cc2c1OCC2 1897125148 MZXLTBZTZVPPGI-FBIMIBRVSA-N 457.931 4.446 50 10 JIGE CCN(C[C@](C)(CI)OCCOC1CCCC1)C(=O)OC(C)(C)C 1940266649 GUICTUZJAZUVEF-SFHVURJKSA-N 455.377 4.413 50 10 JIGE CCOc1ccc(C(=O)CBr)c(OC(F)(F)F)c1I 2055076772 CLVXZYZPCZGYBJ-UHFFFAOYSA-N 452.992 4.166 50 10 JIGE CCN1CCC[C@@H]([C@@H](Cl)c2cc(Br)sc2Br)S1(=O)=O 2089513345 DILSZSJRXNVJRH-WPRPVWTQSA-N 451.633 4.367 50 10 JIGE BrC[C@@H]1CO[C@H]2CN(Cc3ccc(Br)cc3Br)C[C@@H]12 2121594506 UEJPHCBIVJPGTC-OSMZGAPFSA-N 454.000 4.053 50 10 JIGE O=S(=O)(c1cc(Cl)cc(CBr)c1F)N1CC[C@H](OCc2ccccc2)C1 2123268189 KRGQUQMIJVIEHC-INIZCTEOSA-N 462.768 4.354 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1CC[C@@H](CBr)C12CC2 2133830488 IHSNXOXVAVLGTI-VIFPVBQESA-N 454.533 4.334 50 10 JIGE Cc1csc(CBr)c1S(=O)(=O)N1C[C@H]2C[C@@H](CN(Cc3ccccc3)C2)C1 2179815571 MRUJAJDLVXZKOU-ROUUACIJSA-N 469.470 4.094 50 10 JIGE CN([C@H]1CN(Cc2ccccc2)C(C)(C)C1)S(=O)(=O)c1cccc(CBr)c1 2179820920 DFBHNSNMNFLVGS-LJQANCHMSA-N 451.430 4.255 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2CC(CCCBr)C2)cc1Br 2238729637 UHFICDLWXJWXMS-UHFFFAOYSA-N 490.055 4.316 50 10 JIGE COc1c(I)cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc1[N+](=O)[O-] 2313568629 VICUFOSPUIFBOQ-UHFFFAOYSA-N 463.231 4.062 50 10 JIGE COc1ccc([C@H](Br)c2c(Br)ncn2C)cc1I 2315594113 QIFNBVBOZUPGMJ-JTQLQIEISA-N 485.945 4.280 50 10 JIGE Clc1ccc(CN2C[C@H](CBr)OCC23CC3)cc1I 2337219126 PTOSQCNZOUWIGG-NSHDSACASA-N 456.549 4.073 50 10 JIGE CCN(CC)S(=O)(=O)C[C@@H](Br)c1ccc(Cl)cc1I 2340067753 GCSVIUACROZURQ-LLVKDONJSA-N 480.593 4.052 50 10 JIGE Clc1ccc(CN2C[C@H](Br)C[C@@]3(CCCO3)C2)c(I)c1 2366714749 LBNWMNWRVHJIQS-DOMZBBRYSA-N 470.576 4.463 50 10 JIGE CCOc1ccc(/C=C/C(=O)NNC(=O)COc2ccc(C(C)C)cc2Br)cc1 13620756 HDKWCSWSFLBLDY-KPKJPENVSA-N 461.356 4.211 50 10 JIGE CC(C)c1ccc(OCC(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2)c(Br)c1 14034702 QWCWNNYHDVOHOY-UHFFFAOYSA-N 477.399 4.475 50 10 JIGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1cccc(OCCC(C)C)c1 14644861 ZWXDKWGANYRWKB-GOSISDBHSA-N 471.623 4.340 50 10 JIGE Cc1ccccc1OCC(=O)NNC(=O)c1cc(Br)ccc1OCCc1ccccc1 14665547 LXAFDPCRKWIFEU-UHFFFAOYSA-N 483.362 4.219 50 10 JIGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(F)c(F)c(F)c(F)c3F)ccc2[C@@H]1c1ccco1 38657579 NNTIROJQKCWLNP-HNNXBMFYSA-N 478.329 4.178 50 10 JIGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4)ccc32)c1OC 38658841 LBLHNUYAIMHNAB-RUZDIDTESA-N 472.497 4.215 50 10 JIGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)c1 38701066 JSDRXBRLHRHNFE-FTJBHMTQSA-N 482.492 4.215 50 10 JIGE COc1ccc(OC)c(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccoc2C)CCC3)c1 40823379 IXBQHSAYZZNNQJ-YZSQISJMSA-N 451.479 4.229 50 10 JIGE O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)c1ccc(O)cc1O 48571858 NSEAYNFINAAKDR-DHRITJCHSA-N 477.318 4.477 50 10 JIGE Cc1ccc(-c2nonc2NC(=O)/C(C#N)=C\c2c(Oc3ccccc3)nc3ccccn3c2=O)cc1 102396443 QMNMBDXXFQSAEM-CYVLTUHYSA-N 490.479 4.391 50 10 JIGE O=C(N/N=C/c1cc(Br)ccc1O)c1ccc2[nH]c(-c3ccccc3O)nc2c1 169926397 UGIBYRBHSMXHRZ-FOKLQQMPSA-N 451.280 4.168 50 10 JIGE O=C(NN=Cc1ccc(Cl)c([N+](=O)[O-])c1)C1CCN(Cc2ccc(F)cc2Cl)CC1 252641565 ZEZOUSYLFSJJOC-UHFFFAOYSA-N 453.301 4.403 50 10 JIGE O=S(=O)(c1cc(Br)cc(CCl)c1F)N1CC[C@@H](OCc2ccccc2)C1 383946833 ZGFVBKGZRQXALK-MRXNPFEDSA-N 462.768 4.307 50 10 JIGE O=C(c1cc(Br)ccc1Br)N1CCSC[C@@H]1CBr 387892955 PXLDMKGZGVXYIN-VIFPVBQESA-N 458.013 4.164 50 10 JIGE C[C@H]1CN(C(=O)c2cc(Br)ccc2I)C[C@H](C)C1Cl 688089040 YLKHGIXRRBJXEM-IUCAKERBSA-N 456.549 4.389 50 10 JIGE Cc1nn(-c2ccccc2)c(C)c1CNC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1 914464500 DHEYBOLPRIFLPJ-KQWNVCNZSA-N 475.556 4.490 50 10 JIGE Nn1c(SCCCC(=O)NN=C/C=C/c2ccccc2)nnc1-c1ccccc1Br 1084364628 UKUANUAMXGNYGU-UGFJEYFVSA-N 485.411 4.109 50 10 JIGE Cc1oc(C=NNC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)cc1Br 1084410263 OKQYTDRQIZEUAO-UHFFFAOYSA-N 490.379 4.081 50 10 JIGE COc1cc([C@@H]2CN(Cc3ccccc3)C[C@@H]2CI)ccc1[N+](=O)[O-] 1614629510 BREYMVZOKPPVGK-IRXDYDNUSA-N 452.292 4.254 50 10 JIGE Cc1c(C(=O)NCc2ccc3c(c2)OCO3)oc2c1C(=NNC(=O)c1ccc(Cl)cc1)CCC2 1772743945 OOSGVLPACAOPQA-UHFFFAOYSA-N 479.920 4.371 50 10 JIGE Cc1ccc(C)c(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccc(O)c(O)c2)c1 1865680858 YJHIVDWCARDIAE-GOSISDBHSA-N 456.424 4.196 50 10 JIGE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1cc(OC)c(OC)c(OC)c1)C(C#N)=C(N)O2 1865692782 PGKDGAMSGAQVLZ-FQEVSTJZSA-N 466.925 4.332 50 10 JIGE N#CSc1ccc(NC(=O)[C@@H](CO)NC(=O)C[C@H](c2ccccc2)c2cccc(F)c2)cc1 1866770662 BIGDSIRXYJBZOS-DHIUTWEWSA-N 463.534 4.037 50 10 JIGE CC[C@@H]1CCOC[C@@H]1O[C@](C)(CI)CN(CC)C(=O)OC(C)(C)C 1947169675 QPFMERHZCFWLQZ-RVKKMQEKSA-N 455.377 4.269 50 10 JIGE Cc1cc(CBr)cc(S(=O)(=O)N(Cc2ccccc2)C2COC2)c1Br 2059286953 RKISIDOZTJFJBZ-UHFFFAOYSA-N 489.229 4.242 50 10 JIGE BrCCN1CCC[C@H](NCc2cccc(Br)c2Br)C1 2092341030 XIMGBRCDUKCISA-LBPRGKRZSA-N 455.032 4.161 50 10 JIGE C[C@]1(COc2c(Br)cc(CBr)cc2Br)COCCO1 2117550499 LYJOEJHNSMOFMB-CYBMUJFWSA-N 458.972 4.291 50 10 JIGE Brc1cccc(Br)c1CN1CC[C@]2(C[C@H](Br)CO2)C1 2137146795 ATXNKSJFNWWALI-HZMBPMFUSA-N 454.000 4.340 50 10 JIGE Cc1oc(C)c(S(=O)(=O)N2CCN(Cc3ccccc3)CC2(C)C)c1CBr 2179792562 HTCKIAAARKFDFX-UHFFFAOYSA-N 455.418 4.076 50 10 JIGE CC(C)(C)OC(=O)NCC(F)(F)[C@@H]1CCCCN1C(=O)[C@@H](Br)C1CCCC1 2185170881 WXAGCNZDHORKGX-GJZGRUSLSA-N 453.368 4.481 50 10 JIGE C[C@H](Br)[C@H](NS(=O)(=O)c1ccc(Br)cc1Cl)C(F)(F)F 2195319860 MPMYVRLXLKHQPV-CDUCUWFYSA-N 459.509 4.095 50 10 JIGE CS(=O)(=O)C1CC([C@H](Br)c2ccc(Br)cc2Br)C1 2257522850 BEFMDXNPDPODPM-FMDDCXKFSA-N 461.013 4.471 50 10 JIGE CC(C)(C)[C@H]1[C@@H](Br)CCN1C(=O)c1c(F)cccc1I 2282786834 JKKAQBHXXSQGTJ-TVQRCGJNSA-N 454.121 4.454 50 10 JIGE Clc1cc(CN2C[C@@H]3CC[C@H](CBr)O[C@H]3C2)ccc1I 2289171868 GUNXKJBQFXSCJR-ZOWXZIJZSA-N 470.576 4.319 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@@H]2[C@@H](CBr)C[C@H]2C1 2295311292 IWKPZUPUOZLXPD-UHIISALHSA-N 466.011 4.244 50 10 JIGE CCN1C[C@H](Cc2ccc(I)c(Br)c2)[C@@H](Br)C1 2306216808 JZOBNPKYFROHDU-JQWIXIFHSA-N 472.990 4.311 50 10 JIGE Cc1sc2ncn(CC(=O)NN=Cc3cccc(OC(C)C)c3)c(=O)c2c1-c1ccccc1 2325904154 KPODIZLSMYURTK-UHFFFAOYSA-N 460.559 4.371 50 10 JIGE COc1cc(C=NNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)ccc1OCc1ccccc1F 2328833187 ZGXUMACYTGZHJI-QFIPXVFZSA-N 473.545 4.413 50 10 JIGE CCOc1ccc(-c2csc(C(C#N)=C(O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n2)cc1 2331305786 UCOARSKTVUYPSQ-UHFFFAOYSA-N 476.470 4.206 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1C[C@H]2CC[C@H]1[C@H](Br)C2 2349960617 PEVZDHUOOSHQPF-PLMOITTCSA-N 454.533 4.333 50 10 JIGE O=C(c1cc(Br)sc1Br)N1CCCN(CCCBr)CC1 2366458652 PXTLENKDNHDBDY-UHFFFAOYSA-N 489.071 4.206 50 10 JIGE Cc1c(CBr)ccc(NS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)c1C 2367944397 ZRXAWCRBKGSMFZ-UHFFFAOYSA-N 493.423 4.407 50 10 JIGE CCCCOc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc(C)c(C)c2)cc1Br 10153027 AWPFYRJPTWQQLO-INIZCTEOSA-N 463.372 4.473 50 10 JIGE CCOC(=O)c1nn(-c2ccc(OC(F)(F)F)cc2)c(=O)c2c(NC(=O)[C@@H](C)Cl)scc12 10383405 PLOCEHUUSAJGPG-SECBINFHSA-N 489.859 4.088 50 10 JIGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)COc3ccc4ccccc4c3)cc2)c1 12578283 GDCFBBPLRTWTRA-UHFFFAOYSA-N 453.498 4.241 50 10 JIGE COc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OC)c2OC)c1 38658718 OZKGJWQHAXZZSH-HSZRJFAPSA-N 458.470 4.150 50 10 JIGE N#CC1=C(N)Oc2cc(OC(=O)c3cc4ccccc4oc3=O)ccc2[C@H]1c1cccc([N+](=O)[O-])c1 38688115 HKKDFBCTNZGVNO-HSZRJFAPSA-N 481.420 4.139 50 10 JIGE Nc1c(NNC(=O)c2ccc(Cl)cc2Cl)ncnc1N1CCN(c2cccc(Cl)c2)CC1 40728302 YRNVSJCJZZMBLR-UHFFFAOYSA-N 492.798 4.103 50 10 JIGE COc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)Nc3ccc4c(c3)OCCO4)c(C)c21 40813241 KBCKSTQXRIWNMS-MTDXEUNCSA-N 475.501 4.091 50 10 JIGE CCOC(=O)c1c(NC(=O)N/N=C\c2cc(Br)c(O)c(OC)c2)sc2c1CCCC2 40853794 YOLVCRTYLYWKIR-YVNNLAQVSA-N 496.383 4.436 50 10 JIGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(Cl)cc2C)c(OC)c1 40988427 RWRAXNIVRBTNAZ-LDADJPATSA-N 456.926 4.465 50 10 JIGE COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)OCC(=O)c3ccc4c(c3)OCO4)c2C)cc1 97654695 VZLNEINSYPLKCP-JAIQZWGSSA-N 458.470 4.165 50 10 JIGE CS(=O)(=O)c1ccc2nc(NC(=O)/C(C#N)=C\c3ccc(-c4cccc(C(=O)O)c4)o3)sc2c1 102466522 WYLZHADNZBSZQK-GDNBJRDFSA-N 493.522 4.204 50 10 JIGE COc1ccc(Cc2nc3cc(C(=O)N/N=C\c4c[nH]c5ccccc45)ccc3[nH]2)cc1OC 169925452 YWLHSMJVFMOMSV-MBTHVWNTSA-N 453.502 4.416 50 10 JIGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 206673608 NTXDPBBXUPLGGH-PDGQHHTCSA-N 461.430 4.029 50 10 JIGE CCOC(=O)[C@@H]1C[C@H](I)[C@H](OCc2ccccc2Br)C1 228878313 ZPAXCFWLKXBFJA-KWCYVHTRSA-N 453.114 4.111 50 10 JIGE O=C(NC[C@@H]1CCCC[C@H]1CBr)c1ccc(F)cc1I 236282968 IEYHZEOLHLHKLF-QWRGUYRKSA-N 454.121 4.361 50 10 JIGE C[C@H](Br)C[C@@H](C)CNS(=O)(=O)c1cc(Br)ccc1Br 398604751 VZDHMBOKMVVYHI-BDAKNGLRSA-N 478.044 4.300 50 10 JIGE CO[C@]1(CBr)CCCN(C(=O)c2cc(Br)cc(Br)c2)C1 401918625 VLHAHJCYMIICOW-AWEZNQCLSA-N 469.999 4.228 50 10 JIGE CC(C)N(C(=O)COC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1)C(C)C 782091254 DUEONPJFSFOZEF-UNOMPAQXSA-N 467.957 4.213 50 10 JIGE CCC(=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 1083541325 CBGUOGMQLZIXBE-BWRCNOQOSA-N 466.977 4.103 50 10 JIGE CCOc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)COc2ccccc2)CCC3)cc1 1772750185 WWNGITIXSXVSAY-UHFFFAOYSA-N 461.518 4.475 50 10 JIGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@H](c2ccc(OC)c(O)c2)C(C#N)=C(N)O3)cc1 1865682568 RRLKZZLNJHKUDU-HSZRJFAPSA-N 466.497 4.480 50 10 JIGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@@H]2c1cc(OC)c(OC)c(OC)c1 1865692136 JINVJWAMTWLRQU-NRFANRHFSA-N 476.533 4.213 50 10 JIGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@@H](c2cccnc2)C(C#N)=C(N)O3)cc1 1865699815 DASIDVGTYZLMAK-QFIPXVFZSA-N 453.477 4.359 50 10 JIGE N#CSc1ccc(Nc2cc(N3CCN(C(=O)C4CC4)CC3)nc(Cc3ccccc3)n2)cc1 1868207387 LYETWEFVCMQYHY-UHFFFAOYSA-N 470.602 4.443 50 10 JIGE COC(=O)c1c(NC(=O)[C@H](CC(C)C)N2C(=O)c3ccccc3C2=O)sc(/C(C)=C/C#N)c1C 1873427291 KYABVIHGZVBAAL-MDNBWPLSSA-N 479.558 4.419 50 10 JIGE O=S(=O)(N[C@H](CCBr)COCc1ccccc1)c1cscc1Br 1902835823 KTSWNXBGDGKXHA-CYBMUJFWSA-N 483.247 4.159 50 10 JIGE C[C@@H](c1ccncc1Br)[C@@H](Br)c1cnn(C)c1I 1924048074 RQBCZXOSIGNQFA-WRWORJQWSA-N 484.961 4.422 50 10 JIGE CC[C@@H](Br)[C@@H](C)NC(=O)c1ccc(Br)cc1I 2026220013 APHUBUAUANFFEC-GMSGAONNSA-N 474.962 4.346 50 10 JIGE CN1CCC[C@@H]([C@@H](Br)c2csc(Br)c2Br)S1(=O)=O 2032953868 RRLSOVABFWVQCS-YUMQZZPRSA-N 482.057 4.133 50 10 JIGE CCOC(=O)Cc1cc(CBr)cc(C(F)(F)F)c1I 2055267297 CGBPEBCHEKNBFL-UHFFFAOYSA-N 451.020 4.311 50 10 JIGE CSCC[C@H](Br)CCNC(=O)c1ccc(F)cc1I 2090384100 FVHANMSWSRGDEK-SECBINFHSA-N 460.150 4.067 50 10 JIGE C[C@H]1[C@H](C)N(S(=O)(=O)c2ccc(CBr)s2)C[C@@H](C)N1Cc1ccccc1 2123228973 GWBPAJJZUKUHOG-PMPSAXMXSA-N 457.459 4.315 50 10 JIGE C[C@@H](Br)C[C@@H]1COCCN1C(=O)c1cc(Br)sc1Br 2128876484 FHWKLDQBYXUYOX-HTQZYQBOSA-N 476.028 4.288 50 10 JIGE CC[C@@]1(CBr)COCCN1Cc1ccc(I)c(Cl)c1 2142950650 SZSKSHMAPKNVGW-CQSZACIVSA-N 458.565 4.321 50 10 JIGE C[C@@H]1CCN(Cc2ccccc2)CCN1S(=O)(=O)c1cc(CCl)ccc1Br 2153288837 GYEXWPUKBOSOBK-MRXNPFEDSA-N 471.848 4.473 50 10 JIGE C[C@H](Cl)c1nc2cc(I)ccc2n1-c1nn(C)cc1Br 2155765453 IRYHRNHNYNLXTR-ZETCQYMHSA-N 465.520 4.426 50 10 JIGE CC(C)(C)OC(=O)N1CC[C@@](CNC(=O)[C@H](Br)C2CCCC2)(C(F)(F)F)C1 2167681914 YUAHUCDCMNOZLJ-DYVFJYSZSA-N 457.331 4.246 50 10 JIGE COC(=O)c1cc(Br)cc(Br)c1NC(=O)[C@H]1C[C@H](Br)C1 2196895918 JEHXXSZCAHUZEI-LJGSYFOKSA-N 469.955 4.110 50 10 JIGE FCC12CC([C@@H](Br)c3cc(I)cc4c3OCC4)(CO1)C2 2202656811 CRKCTPVCTYIJDC-NFOMZHRRSA-N 453.089 4.181 50 10 JIGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC(NC(=O)c2cccc(CCl)c2)C1 2259423784 DXSXZPYEZQQIMK-UHFFFAOYSA-N 467.994 4.012 50 10 JIGE CC[C@H](NC(=O)C(C#N)=CN1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccc2c(c1)CCCC2 2325093049 ZPBPOTWRZVYOPY-SANMLTNESA-N 486.616 4.087 50 10 JIGE Cc1ccc(-c2csc(C(C#N)=C(O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n2)c(C)c1 2331311096 PIOWEAIBFWCGJM-UHFFFAOYSA-N 460.471 4.424 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN=c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)c[nH]1 2339577979 ABPMRAFDFBSFJU-ZHACJKMWSA-N 481.493 4.466 50 10 JIGE CO[C@]1(CBr)CCCN(Cc2cc(I)ccc2Cl)C1 2352417635 LXVVZPVCWZDNDM-AWEZNQCLSA-N 458.565 4.321 50 10 JIGE O=S(=O)(N[C@H](CCBr)COCc1ccccc1)c1ccc2c(c1)CCCC2 2369430512 DSSUPZGILBWYKE-HXUWFJFHSA-N 452.414 4.214 50 10 JIGE O=C(NN=Cc1ccc(OC(=O)c2cccc(Br)c2)cc1)c1ccc([N+](=O)[O-])cc1 12428621 QIXVUYSBFWOYLE-UHFFFAOYSA-N 468.263 4.340 50 10 JIGE N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@@H]1c1ccccc1OC(=O)c1cccc([N+](=O)[O-])c1 27530848 AZEYHYYRORPYGX-OAQYLSRUSA-N 479.452 4.422 50 10 JIGE COc1cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccs2)cc(OC)c1OC 38656357 OPQFGMWZEISIHA-NRFANRHFSA-N 464.499 4.211 50 10 JIGE N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2ccccc2O)cc1I 59147623 VRGXWVCXFTWENM-DHRITJCHSA-N 497.292 4.211 50 10 JIGE CC(C)c1ccc(OCC(=O)NNC(=O)c2cccc(Br)c2)c(Br)c1 100446279 YVHUMAQTFQCTGK-UHFFFAOYSA-N 470.161 4.175 50 10 JIGE CC(=O)N1CCc2cc(Br)cc(NC(=O)N[C@H]3CC(C)(C)C[C@@](C)(CN=C=O)C3)c21 170290025 LFSQCYKMKFSYPM-JTSKRJEESA-N 477.403 4.400 50 10 JIGE Cc1cc(C=NNC(=O)C(=O)Nc2ccc(F)cc2)c(C)n1-c1cccc(Br)c1 725424725 JXSYRROKPDMFKW-UHFFFAOYSA-N 457.303 4.085 50 10 JIGE C[C@H]1CCc2sc(C(=O)NNC(=O)N3CCC([C@H]4C(=O)Nc5cc(Cl)ccc54)CC3)cc2C1 727473746 RJFMGBIRGYVLRS-YEJXKQKISA-N 487.025 4.329 50 10 JIGE CC(=NNC(=O)Cc1nn2c(C3CCCCC3)nnc2s1)c1c(C)nn(-c2ccccc2)c1C 746484999 FFLYIUDLOWLQMV-UHFFFAOYSA-N 476.610 4.119 50 10 JIGE COc1cc([N+](=O)[O-])ccc1-n1nc(C)c(C=NNC(=O)C23CC4CC(CC(C4)C2)C3)c1C 1083992520 FUNORYARXCHDGS-UHFFFAOYSA-N 451.527 4.072 50 10 JIGE O=C(NN=Cc1ccc2c(c1)OCO2)c1cccc(NC(=O)c2ccccc2Br)c1 1084261202 SPKKMGDLWJNQFM-UHFFFAOYSA-N 466.291 4.194 50 10 JIGE Cc1cccc(N(CC(=O)NN=Cc2cccc3ccccc23)S(=O)(=O)c2ccccc2)c1 1084298123 LJMXJVNOSUYNRY-UHFFFAOYSA-N 457.555 4.494 50 10 JIGE Cc1ccc(S(=O)(=O)N2CCC(C(=O)NN=Cc3ccc(OCc4ccccc4)cc3)CC2)cc1 1084551065 ANCFOVQZSSOXGN-UHFFFAOYSA-N 491.613 4.125 50 10 JIGE COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)c2nc(-c3ccc(F)cc3)no2)c1C 1087252043 YVSKVZGDXZOWKX-PWIMYCEHSA-N 451.502 4.286 50 10 JIGE C=CCC[C@@H](NC(=O)NNC(=O)COc1ccccc1OC)c1ccc(C(F)(F)F)cc1 1230693074 AVVLKQYLUOKAGW-QGZVFWFLSA-N 451.445 4.131 50 10 JIGE COCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2F)cc1 1866213802 DHRPCUZGRUTMJA-GXDHUFHOSA-N 466.250 4.001 50 10 JIGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cc(-c3cccnc3)on2)cc1 1867166298 UCZAQIYLFBZIPV-OAQYLSRUSA-N 469.526 4.290 50 10 JIGE O=C(c1cc(Br)ccc1Br)N1C[C@H](Br)[C@H](Br)C1 2019466265 KYHFGCQMDRBDCX-AOOOYVTPSA-N 490.815 4.194 50 10 JIGE C[C@H]1C[C@@H](Br)CN1C(=O)c1ccc(Br)cc1I 2026222540 ZQCFVORKTILSMP-IONNQARKSA-N 472.946 4.052 50 10 JIGE CN(Cc1ccccc1)[C@H]1CCN(S(=O)(=O)c2ccc(Br)c(CCl)c2)C1 2095824344 XDCRGQTZWFIRFG-KRWDZBQOSA-N 457.821 4.083 50 10 JIGE CC1(C)C[C@@H](CBr)N(S(=O)(=O)c2cc(Br)ccc2Br)C1 2151106876 QQJLUEGLXPTSMX-JTQLQIEISA-N 490.055 4.396 50 10 JIGE C[C@@H](CBr)[C@@H]1CCCCN1C(=O)c1cc(I)ccc1F 2169668302 OMKWDZRIJWLSMA-HZMBPMFUSA-N 454.121 4.456 50 10 JIGE Cc1cc(S(=O)(=O)N2CCC[C@H](N(C)Cc3ccccc3)C2)ccc1CBr 2179774217 CYFYXKBNXNDCBU-FQEVSTJZSA-N 451.430 4.175 50 10 JIGE CN(Cc1ccccc1)C1CCN(S(=O)(=O)Cc2cccc(CBr)c2)CC1 2179776296 SUZQYLFNMMEEAZ-UHFFFAOYSA-N 451.430 4.008 50 10 JIGE Cc1ccc(I)c(C(=O)N2CC(F)(F)C[C@]2(C)CBr)c1 2240923473 QANXJLJDHQWCGS-CYBMUJFWSA-N 458.084 4.234 50 10 JIGE O=C(NC[C@@H]1CC[C@H](CBr)CO1)c1csc(Br)c1Br 2264717147 KEZPZWVWBQDRRO-SFYZADRCSA-N 476.028 4.193 50 10 JIGE CC(C)(CI)CN1CCCC[C@H]1C(F)(F)CNC(=O)OC(C)(C)C 2306809634 LFJMQKYBFMPJRE-ZDUSSCGKSA-N 460.347 4.462 50 10 JIGE O=C(c1csc(Br)c1Br)N1C[C@H]2C[C@@H](CBr)[C@H]2C1 2309711450 KYGDWCGYAQWZMY-XLPZGREQSA-N 458.013 4.376 50 10 JIGE O=C(CN1C(=O)C(=Cc2ccc(-c3ccccc3)o2)SC1=S)Nc1nnc(CCCl)s1 2314489160 OXCNCYGPYFDCNB-UHFFFAOYSA-N 491.019 4.419 50 10 JIGE COc1ccccc1NC(=O)C(C#N)=Cc1c(Oc2ccccc2F)nc2c(C)cccn2c1=O 2314532553 KYZJCKHCIWKXKZ-UHFFFAOYSA-N 470.460 4.489 50 10 JIGE C=CCNC(=O)C(C#N)=C1S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(OCC)cc1 2314593646 QKYHEIKHKUMMOZ-OAQYLSRUSA-N 467.978 4.467 50 10 JIGE O=C(c1csc(I)c1)N1CCC[C@H](Br)[C@@H]1C(F)(F)F 2344129925 ZNGYHSUEMFPCOP-IONNQARKSA-N 468.076 4.283 50 10 JIGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNC(=O)c1ccco1)c1nc3cc(Cl)c(Cl)cc3nc12 33366408 JYMIHLMCZSCSSN-YADHBBJMSA-N 459.333 4.320 50 10 JIGE Cc1ccc(NC(=O)CN2C(=O)/C(=N\NC(=O)c3ccc(C)c(Cl)c3)c3ccccc32)cc1 59167182 GFBSXWFFNVEHPJ-NFFVHWSESA-N 460.921 4.076 50 10 JIGE CCN(CC)c1ccc(C=NNC(=O)c2nonc2N)c(OCc2ccc(Cl)cc2Cl)c1 252627106 RMQDJJUKDFLVMA-UHFFFAOYSA-N 477.352 4.148 50 10 JIGE Cc1cc(-c2ccc(C=NNC(=O)[C@H](NC(=O)Cc3cccs3)C(C)C)o2)cc([N+](=O)[O-])c1C 252636508 XJEPPRIDKFZJQA-HSZRJFAPSA-N 482.562 4.367 50 10 JIGE CCOc1cc(C=NNC(=O)c2ccccc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 254307978 KQNVJKNNGRFHFQ-UHFFFAOYSA-N 450.407 4.458 50 10 JIGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccc(N(C)C)cc3)nnc2-c2ccccc2)cc1 254682205 CDGMMOKPOSCILF-UHFFFAOYSA-N 486.601 4.251 50 10 JIGE C[C@@H]1C[C@@H](Br)CCN1C(=O)c1cc(Br)ccc1I 705612893 QTGRLEANTYCWJJ-SCZZXKLOSA-N 486.973 4.442 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1C[C@H]2C[C@H](Br)C[C@H]1C2 709822306 KVMIKYBIEZDZAE-INTQDDNPSA-N 454.533 4.333 50 10 JIGE Cc1[nH]c2ccccc2c1CCNC(=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1 727034672 SCLLKPIKXLOHPI-UHFFFAOYSA-N 460.509 4.381 50 10 JIGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccccc3-n3cccc3)cc2OC)cc1 1084598632 NJZXBVDWYPRKSE-UHFFFAOYSA-N 469.497 4.478 50 10 JIGE C=CCc1cc(/C=C(\C#N)C(=O)N(C)C)cc(Br)c1OCc1ccc(C(=O)O)cc1 1084641992 IXVBXGKZQGVLCK-YBFXNURJSA-N 469.335 4.450 50 10 JIGE C#C[C@H](NC(=O)NNc1ccc(OC)cc1Br)c1ccc(Br)cc1 1636562167 IFOVYYGTFFNPQY-HNNXBMFYSA-N 453.134 4.221 50 10 JIGE Cc1c(C(=O)NCc2ccccn2)oc2c1C(=NNC(=O)c1ccccc1Br)CCC2 1772744042 PGXSVQGTPBDPDO-UHFFFAOYSA-N 481.350 4.146 50 10 JIGE COc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)NC3CC(C)(C)NC(C)(C)C3)c(C)c21 1772745919 KTGVDWRULLMDOY-UHFFFAOYSA-N 480.609 4.106 50 10 JIGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C#N)=C(N)O2 1865680445 LGKQDLCLNULKER-HXUWFJFHSA-N 454.889 4.306 50 10 JIGE CCN1C(=O)COc2ccc(/C(C)=N/NC(=O)c3ccc(-c4ccc(F)c(F)c4)nc3C)cc21 1865762942 LKTXODKXSUAHQO-IPPBACCNSA-N 464.472 4.235 50 10 JIGE N#CSc1ccc(NC(=O)CNC(=O)c2ccccc2SCC(=O)NCC2CCCCC2)cc1 1868131363 LDKHARDEGXVQPT-UHFFFAOYSA-N 496.658 4.417 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OCC(F)(F)C(F)F)C1 1900569074 IYTWRPIZMAGZMP-CYBMUJFWSA-N 455.230 4.108 50 10 JIGE COCc1ccc(CO[C@@](C)(CI)CNC(=O)OC(C)(C)C)s1 1902481277 GOQYESJIZNONMO-INIZCTEOSA-N 455.358 4.130 50 10 JIGE CN(CC1(CBr)CC1)C(=O)c1cc(Br)ccc1I 1915543053 ZMQYNQYPJXQVIC-UHFFFAOYSA-N 486.973 4.301 50 10 JIGE Cc1ccc(-n2c(C)nc(I)c2I)c(CCl)c1 1941554395 VGZGQLDZLZUHNK-UHFFFAOYSA-N 472.495 4.437 50 10 JIGE C[C@H](CCCCCI)NS(=O)(=O)c1ccc(Br)s1 2054170568 MUFICOJSKIMQBM-SECBINFHSA-N 466.204 4.173 50 10 JIGE O=S(=O)(N[C@@H](CBr)CC1CC1)c1cc(Br)ccc1Br 2090431069 WCJVNRYZDRYSNG-SNVBAGLBSA-N 476.028 4.054 50 10 JIGE CCCN1CC[C@H]([C@@H](Br)c2cc(Br)c(Cl)s2)S1(=O)=O 2115930532 NZMOFKNDSBHVPU-ZJUUUORDSA-N 451.633 4.414 50 10 JIGE C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1S(=O)(=O)c1ccc(CBr)cc1 2163058308 JMBIJYPEKAAMPE-RHSMWYFYSA-N 461.422 4.038 50 10 JIGE O=C(c1ccc(F)cc1I)N1C[C@@H](Br)CCC12CCC2 2174540268 MOVGIGXEQOYSSL-JTQLQIEISA-N 452.105 4.353 50 10 JIGE C[C@@H]1CN(S(=O)(=O)C2CCC(CBr)CC2)[C@H](C)[C@@H](C)N1Cc1ccccc1 2179829140 XOCJNXPJJDUZOU-ZFWRPDKHSA-N 457.478 4.253 50 10 JIGE BrC[C@@]12CN(Cc3ccc(Br)cc3Br)C[C@H]1CCO2 2231270812 SMYKXQTVRZZNCU-BXUZGUMPSA-N 454.000 4.197 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N[C@@H](CBr)CC(F)F 2277934838 KWGINWXRFYGOQT-SNVBAGLBSA-N 463.942 4.289 50 10 JIGE O=S(=O)(N[C@H](CCCl)COCc1ccccc1)c1ccc(F)cc1Br 2320660483 SJGJSAJHIKJARP-OAHLLOKOSA-N 450.757 4.081 50 10 JIGE O=C(c1csc(I)c1)N1CCC[C@H](Br)[C@H]1C(F)(F)F 2344129924 ZNGYHSUEMFPCOP-CBAPKCEASA-N 468.076 4.283 50 10 JIGE O=C(COc1ccccc1)NNc1ncnc(Nc2cc(C(F)(F)F)ccc2Cl)c1[N+](=O)[O-] 40583300 XVXCNTYOQXHBPY-UHFFFAOYSA-N 482.806 4.323 50 10 JIGE Nc1c(NNC(=O)c2ccc(Cl)cc2)ncnc1Nc1ccc(Br)cc1F 40784453 VJMGDJAHROYXOD-UHFFFAOYSA-N 451.687 4.114 50 10 JIGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1ccc(-c2ccccc2)cc1 41014679 SGFGATSMIQDEOX-JJIBRWJFSA-N 498.535 4.112 50 10 JIGE C/C(=N\NC(=O)CSc1nnc(CCc2ccccc2)n1-c1ccccc1)c1ccncc1 58991527 BDDCTRMFTBUGIW-ZXVVBBHZSA-N 456.575 4.080 50 10 JIGE O=C(Cc1ccccc1)N/N=C1\C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21 59165722 SXMCWHXRYRCGHX-QYQHSDTDSA-N 466.310 4.198 50 10 JIGE COc1cc(/C=C(/C#N)C(=O)Nc2cccc3ccccc23)ccc1OCCN1CCOCC1 96438621 HMOQSVLXIOROFF-XLNRJJMWSA-N 457.530 4.105 50 10 JIGE N#C/C(=C/c1cc2c(cc1Br)OCO2)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 103485427 OAEWIHIVVLOHAE-KMKOMSMNSA-N 450.632 4.285 50 10 JIGE C[C@H]1CN(C(=O)c2cc(Br)ccc2I)CC[C@H]1Br 235647998 SORYHHIXALGEAX-GZMMTYOYSA-N 486.973 4.299 50 10 JIGE O=C(Cc1cccc2ccccc12)NN=Cc1ccc(Sc2nnnn2-c2ccccc2)o1 252627388 RTDMBOQZJROBQJ-UHFFFAOYSA-N 454.515 4.253 50 10 JIGE O=C(OCc1ccccc1)N1C[C@H](c2ccccc2[N+](=O)[O-])[C@@H](CI)C1 382704455 RIIRDGVCAMNACM-RDJZCZTQSA-N 466.275 4.382 50 10 JIGE CC[C@@H](C[C@@H](C)Br)NS(=O)(=O)c1cc(Br)ccc1Br 716937876 YBEBQNKHVUWTSI-SCZZXKLOSA-N 478.044 4.442 50 10 JIGE CCCOc1ccc(CNC(=O)NNC(=O)c2ccc(Br)cc2Cl)cc1OC 728947970 HYHSZZIKHCWXLM-UHFFFAOYSA-N 470.751 4.044 50 10 JIGE C[C@H](OC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1)C(=O)N[C@H](C)c1ccc(F)cc1 761409167 CWSZHNZUDVGQFR-SLOPSPLYSA-N 485.519 4.319 50 10 JIGE C[C@@H](NC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1)c1ccc2c(c1)CCC(=O)N2 918595949 IBJZVVMZXVBLOD-OSVNEOKWSA-N 464.529 4.133 50 10 JIGE COc1c(C=NNC(=O)c2sc3nc(C)cc(C)c3c2-n2cccc2)cc2c(c1OC)OCO2 1081098368 XEZRJJJQLOZRJL-UHFFFAOYSA-N 478.530 4.214 50 10 JIGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1)Nc1ccccc1 1084544597 DQAVSVGIHHXBNJ-UHFFFAOYSA-N 485.327 4.100 50 10 JIGE CCc1nn(Cc2ccccc2)c2c1[C@H](c1cc(Br)c(O)c(OC)c1)C(C#N)=C(N)O2 1865689171 LMGQTLGGPVLCAV-LJQANCHMSA-N 481.350 4.189 50 10 JIGE CCOc1ccc(/C=C/C(=O)NNC(=O)c2ccc(-c3ccc(F)c(F)c3)nc2C)cc1OC 1865757174 QAAUYXOKBUPBTR-WUXMJOGZSA-N 467.472 4.217 50 10 JIGE CC[C@@H](NC(=O)Cc1nc(-c2ccc3c(c2)OCO3)oc1C)C(=O)Nc1ccc(SC#N)cc1 1867192321 QDNIPTLEVSUQAX-GOSISDBHSA-N 478.530 4.028 50 10 JIGE COc1cc(C(=O)NC/C(O)=C(\C#N)c2nc(-c3cccs3)cs2)cc(OC)c1OC 1872751125 ZJEDJMXKJIQFMW-SQFISAMPSA-N 457.533 4.120 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCNC1[C@H]2CC[C@H]1CN(C(=O)OC(C)(C)C)C2 1985347589 VNPUJZMQFIECAI-HOTGVXAUSA-N 461.694 4.128 50 10 JIGE CC(C)(CBr)c1cn(-c2ccc(Br)c(I)c2)nn1 2046456722 XCQMAJLKZABXOO-UHFFFAOYSA-N 484.961 4.307 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@H]2C[C@H]1C[C@@H]2Br 2052018458 VCGGSPXLOOSKKZ-HDBBIHSSSA-N 484.957 4.052 50 10 JIGE O=C(NCC1(F)CC(CBr)C1)c1cc(Br)ccc1Br 2112253193 IJBRPWLFGSPWET-UHFFFAOYSA-N 457.963 4.455 50 10 JIGE BrC[C@@H]1CO[C@@H]2CN(Cc3cc(Br)ccc3Br)C[C@@H]12 2121585887 AYWNWAOCRVAODP-SCDSUCTJSA-N 454.000 4.053 50 10 JIGE CN(C(=O)c1ccc(Br)cc1I)[C@@H](CCCl)C(F)F 2142277252 NFUSAWKCGOUAED-JTQLQIEISA-N 466.491 4.388 50 10 JIGE O=C(N[C@H]1C[C@H]2C[C@H]1C[C@H]2Br)c1ccc(Br)cc1I 2142284553 DTFHBZDZORFUSQ-DQRYNJFASA-N 498.984 4.346 50 10 JIGE CCN1CCC[C@@H]([C@@H](Cl)c2ccc(I)c(Br)c2)S1(=O)=O 2145784064 ZMMLPVQSAGEAIA-STQMWFEESA-N 492.604 4.148 50 10 JIGE O=S(=O)(C[C@@H](Br)c1c(Br)cccc1Br)N1CCCCC1 2150503174 JJXRUCVWTQBSEQ-GFCCVEGCSA-N 490.055 4.463 50 10 JIGE Cc1c(Br)cc(CCl)cc1S(=O)(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 2152158861 MBIHYLCMIPIQTE-GOSISDBHSA-N 471.848 4.391 50 10 JIGE COc1cc(OC)c([C@H](Br)c2cc(I)sn2)c(OC)c1 2176535442 AHCLJNVGBPXTFQ-CYBMUJFWSA-N 470.126 4.258 50 10 JIGE O=S(=O)(c1cc(CBr)cs1)N1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 2179815756 GJLGAUDWNRPTJB-OALUTQOASA-N 469.470 4.318 50 10 JIGE O=S(=O)(c1ccc(CCl)cc1Br)N1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 2187749892 DHRALTLPLHZMRV-ROUUACIJSA-N 469.832 4.083 50 10 JIGE C[C@H]1[C@@H](Br)C[C@@H](C)CN1S(=O)(=O)c1cc(Br)ccc1Br 2235876224 LZHUNTDFCHAWEG-PTRXPTGYSA-N 490.055 4.394 50 10 JIGE CCS(=O)(=O)C[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2260005504 ILMGBSFBJFLEJH-LURJTMIESA-N 470.955 4.361 50 10 JIGE O=C(c1csc(Br)c1Br)N1C[C@@H]2CC[C@H](CBr)O[C@@H]2C1 2289340374 MPWBLEMOTCUXDJ-QXFUBDJGSA-N 488.039 4.288 50 10 JIGE CC(C)(C)c1ccc(COc2ccc(Br)cc2C=CC(=O)NNC(N)=S)cc1 2294608925 VBHHHPOYQUYCTD-UHFFFAOYSA-N 462.413 4.203 50 10 JIGE Cc1cc(C=C(C#N)C(=O)OCC(=O)Nc2ccc3c(c2)OCCCO3)c(C)n1CC(C)C 2297487241 VVEVRVNEHRZTNN-UHFFFAOYSA-N 451.523 4.011 50 10 JIGE CCOc1ccc(C=NNC(=O)c2cccn(Cc3cccc(Cl)c3)c2=O)cc1OCC 2323652140 QNNHRVOVEYFNPI-UHFFFAOYSA-N 453.926 4.111 50 10 JIGE O=C(NN=Cc1cc(Cl)c(O)c(Cl)c1O)c1ccc2nc(-c3ccccc3O)[nH]c2c1 2323743570 IBFXJPHEMJXPTC-UHFFFAOYSA-N 457.273 4.417 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1[C@H]2CC[C@@H]1C[C@@H]2CBr 2340053090 WLRJXWNUWUOCPY-JQEORGNBSA-N 454.533 4.333 50 10 JIGE CC1(C)[C@@H](CCl)OCCN1Cc1ccc(I)c(Br)c1 2349842787 ZNTMZUDIHPXBSH-CYBMUJFWSA-N 458.565 4.272 50 10 JIGE O=C(c1cccc(I)c1)N1CC[C@H](Br)C[C@H]1C(F)(F)F 2361454916 LJPHIMIOEZFTQZ-ONGXEEELSA-N 462.047 4.222 50 10 JIGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=O)c1ccc(OCCOc2ccccc2)cc1 14039458 KHKYCGPZYSKQSK-HXUWFJFHSA-N 462.546 4.498 50 10 JIGE COc1cccc(CN2c3ccccc3C3=C([C@H](c4ccccc4F)C(C#N)=C(N)O3)S2(=O)=O)c1 20558739 IIHMITNNUCTJIZ-HSZRJFAPSA-N 489.528 4.361 50 10 JIGE Cc1ccc(Nc2ncnc(NNC(=O)C(c3ccccc3)c3ccccc3)c2[N+](=O)[O-])nc1 40659366 JNJFIRQZXSSJKB-UHFFFAOYSA-N 455.478 4.107 50 10 JIGE Cc1c(C(=O)NC2CCCCC2)oc2c1/C(=N/NC(=O)c1cncc(Br)c1)CCC2 40823002 OZFYRYKZJMEMKA-YZSQISJMSA-N 473.371 4.278 50 10 JIGE O=C(/C=C\c1cc(C(F)(F)F)ccc1Cl)NNC(=O)c1cncn1-c1ccc(F)cc1 97987669 HXNRFVVBRNSKIJ-QPIMQUGISA-N 452.795 4.158 50 10 JIGE O=C(N/N=C/c1cccnc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 104996968 BNWXHKHRPJFENH-RSLIBCCBSA-N 467.185 4.271 50 10 JIGE COc1ccc(/C=C(\C#N)C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccccc3)cc2OC)cc1 206397283 OEBDFCDSPKFKJC-IFTRTGPOSA-N 493.519 4.440 50 10 JIGE O=C(c1cc(Cl)ccc1I)N(CCBr)CC(F)F 236263683 NDNSQESIWOOZJF-UHFFFAOYSA-N 452.464 4.047 50 10 JIGE CC[C@@H](CBr)N(C)C(=O)c1ccc(I)c(Br)c1 721579311 RFYCKXHNKZUVJW-VIFPVBQESA-N 474.962 4.299 50 10 JIGE COCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)c1C 727414051 ZLBJLEVHDQMWGX-BKVHRCCISA-N 480.996 4.286 50 10 JIGE O=C(Cc1cccc2ccccc12)NN=C1C(=O)N(Cc2cccc([N+](=O)[O-])c2)c2ccccc21 1083982125 KZRICHSBNINNKG-UHFFFAOYSA-N 464.481 4.358 50 10 JIGE CC(=O)N[C@H](C(=O)NN=C(c1ccccc1)c1ccccc1)c1cccc(Br)c1 1355156100 KCHJVTYUSZPDTR-QFIPXVFZSA-N 450.336 4.195 50 10 JIGE CC(=O)c1ccc(Nc2ccccc2C(=O)NNC(=O)c2cccc(Br)c2)cc1 1587198187 ROBBXNAPPYBZSG-UHFFFAOYSA-N 452.308 4.470 50 10 JIGE COc1cc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)ccc1[N+](=O)[O-] 1614631957 XMDMOMRPBYQQPX-IRXDYDNUSA-N 496.301 4.391 50 10 JIGE CCN1CCN(C(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Cl)cc2Cl)CCC3)CC1 1772746968 BYPKROXTZCGXEV-UHFFFAOYSA-N 477.392 4.143 50 10 JIGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(O)cc1O)C(C#N)=C(N)O2 1865681158 GLTIBFKUTFJKEH-IBGZPJMESA-N 467.323 4.217 50 10 JIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)cc(OC)c1O 1865714725 OMGUJAXDZYPIPI-QGZVFWFLSA-N 490.413 4.030 50 10 JIGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OC)cc2)sc(C(=O)OC(C)C)c1C 1866126642 DSLYIOXICBBNDC-LFIBNONCSA-N 456.520 4.353 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)OC(C)(C)C)C2 1903693132 GOQYQBDUHXLDAZ-BRWVUGGUSA-N 461.694 4.270 50 10 JIGE C[C@H](CCBr)CCN(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C 1955956661 RLNPGMOBPLRJGG-MRXNPFEDSA-N 466.461 4.149 50 10 JIGE C[C@]1(CCl)CC(F)(F)CN1c1ncc(I)cc1Br 2069536136 QKHXJKQNJAOMEI-SNVBAGLBSA-N 451.480 4.292 50 10 JIGE O=C(c1csc(Br)c1Br)N1[C@H](CBr)C[C@@H]2OCC[C@@H]21 2093947744 FGIREAMHAIRSAD-XVYDVKMFSA-N 474.012 4.040 50 10 JIGE O=C(c1c(Br)cccc1Br)N1C[C@@H]2[C@@H](CBr)C[C@H]2C1 2117689954 PRXBARRQIUZWAM-KXUCPTDWSA-N 451.984 4.315 50 10 JIGE O=C(c1cc(Br)ccc1Br)N1C[C@@H]2[C@H](CBr)C[C@H]2C1 2117691611 WOJXYWPDROFSPU-HOTUBEGUSA-N 451.984 4.315 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CC[C@H](Br)[C@H]2CC[C@@H]21 2133723998 SYPSYGQIHLOZNJ-CDMKHQONSA-N 498.984 4.442 50 10 JIGE Cc1cccc(C(=O)N2CC[C@H](Br)C(F)(F)CC2)c1I 2150018100 GFXHLSAXIIHWEJ-NSHDSACASA-N 458.084 4.234 50 10 JIGE O=S(=O)(CCC(CCl)CCl)NCc1c(Br)cccc1Br 2160948870 CMDNUBYXBKKGJI-UHFFFAOYSA-N 468.038 4.115 50 10 JIGE CCOc1ccc(NS(=O)(=O)C2CC(OCc3ccccc3)C2)cc1CBr 2161296862 HCKUOEHQDYUEKU-UHFFFAOYSA-N 454.386 4.470 50 10 JIGE CN(C(=O)c1cc(I)ccc1O)C1CCC(CBr)CC1 2171110262 BAAVGKOKFTUFLD-UHFFFAOYSA-N 452.130 4.023 50 10 JIGE CCN([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cccc(CBr)c1C 2179775772 NZXQLKHSQOJUFL-FQEVSTJZSA-N 451.430 4.175 50 10 JIGE CC1(C)CN(Cc2ccccc2)CCN(S(=O)(=O)c2ccc(CCBr)s2)C1 2179819522 MSTBPRCGPHJMJD-UHFFFAOYSA-N 471.486 4.218 50 10 JIGE Cc1ccc(C(=O)N2C[C@H](CCBr)C(C)(C)C2)cc1I 2238469198 YUETXEPXLKAVLA-ZDUSSCGKSA-N 450.158 4.483 50 10 JIGE COC(=O)[C@@H](Br)C1(Oc2cc(I)ccc2Cl)CCC1 2272641264 MUJKXZCJRZPQOP-LLVKDONJSA-N 459.505 4.183 50 10 JIGE N#CC(=Cc1ccc(OS(=O)(=O)c2ccc(Cl)cc2)cc1)C(=O)Nc1ccccc1C(=O)O 2294510969 HYYPBSCTBNPDLL-UHFFFAOYSA-N 482.901 4.352 50 10 JIGE COc1c(Cl)cc(C=NNC(=O)CSc2nc3ccccc3n2C)c(OC)c1Cl 2322914327 CKLQYIKCCHPOEZ-UHFFFAOYSA-N 453.351 4.140 50 10 JIGE BrCC[C@@H]1CN(Cc2ccc(I)c(Br)c2)CCO1 2325228378 CQLMCNWXCDKKBA-LLVKDONJSA-N 488.989 4.040 50 10 JIGE COc1cc(Br)c([C@H](Br)c2c(Br)ncn2C)cc1OC 2362492492 MCPTWYMVRAUGAX-NSHDSACASA-N 468.971 4.447 50 10 JIGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H]1CCCC[C@@H]1CCBr 2364214862 PUDLYHFGZZQRDM-YLJYHZDGSA-N 499.471 4.106 50 10 JIGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1 12573827 USRNNQNUAULPAR-UHFFFAOYSA-N 488.613 4.494 50 10 JIGE COc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@@H](C)Oc3ccccc3F)ccc21 38650034 XFHUFZKJTMSRAJ-OYLFLEFRSA-N 460.461 4.425 50 10 JIGE CCCNC(=O)c1cc2ccc(OC(=O)/C(C#N)=C/c3ccc(OCCC)cc3)cc2oc1=O 40894500 ZEIKDRJFZLNUQL-CPNJWEJPSA-N 460.486 4.234 50 10 JIGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1ccc([N+](=O)[O-])c(C)c1 40926599 YZJZQZKLKIACNA-XDHOZWIPSA-N 475.457 4.338 50 10 JIGE Cc1ccc(C(=O)N/N=C2\C(=O)N(CCc3ccccc3)c3ccc(Br)cc32)cc1 59147410 RWLTVPSXUWWSTD-ROMGYVFFSA-N 462.347 4.481 50 10 JIGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NN=Cc2ccc(O)c(Br)c2)cc1 252588848 AEZZASXGMZANFJ-UHFFFAOYSA-N 452.308 4.479 50 10 JIGE O=S(=O)(c1ccc(CCl)cc1Br)N1CCCN(Cc2ccccc2)CC1 323388909 JXMOSCTXBMDDKL-UHFFFAOYSA-N 457.821 4.085 50 10 JIGE Cc1cc(CCl)cc(S(=O)(=O)N2CCCN(Cc3ccccc3)CC2)c1Br 323969770 VWQVYSQSKPICBH-UHFFFAOYSA-N 471.848 4.393 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2CC3CC2(CBr)C3)cc1Br 694587098 AGWIHIPRELDKSS-UHFFFAOYSA-N 488.039 4.068 50 10 JIGE CO[C@@]1(CBr)CCCN(C(=O)c2scc(Br)c2Br)C1 705438870 LWMFILSDJFXLAW-GFCCVEGCSA-N 476.028 4.289 50 10 JIGE C[C@H]1C[C@@H](Br)CCN1S(=O)(=O)c1cc(Br)ccc1Br 705605258 NUOQQICPQXEZFA-WPRPVWTQSA-N 476.028 4.148 50 10 JIGE C[C@H]1CCN(C(=O)c2ccc(I)c(Br)c2)C[C@H]1Br 721608178 FAMNHIGOQVPRLO-GZMMTYOYSA-N 486.973 4.299 50 10 JIGE CC(C)c1ccc([C@H](NC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)c2cccs2)cc1 916205369 GOXYUIPJUGKTKD-NRFANRHFSA-N 471.604 4.009 50 10 JIGE C#CCCCC(=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccc2ccc(OC)cc2c1 1558513372 ANBOYNJJDSWNCH-UHFFFAOYSA-N 452.514 4.266 50 10 JIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccn2)ccc1OCCc1ccccc1 1865688582 VSEXYUFFPSXYPX-AREMUKBSSA-N 479.540 4.424 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OCCN2CCCCCC2)C1 2055654378 IQOOCAOCDRIAKY-IBGZPJMESA-N 466.404 4.084 50 10 JIGE FC(F)(F)c1c(I)c(CBr)nn1[C@H]1CCCSC1 2079258982 PMHGTUFAEZERTN-LURJTMIESA-N 455.081 4.470 50 10 JIGE Cc1cc(Br)c(C)c([C@H](Br)[C@@H]2CCS2(=O)=O)c1Br 2081058910 HCJYIQVXEFFGFX-JOYOIKCWSA-N 461.013 4.452 50 10 JIGE O=C(N[C@@H]1C[C@H](CCl)[C@H]2C[C@H]21)c1cc(I)ccc1Br 2110548206 GAHBHSRKYLPKFS-QYVSTXNMSA-N 454.533 4.047 50 10 JIGE C#CC[C@@](C)(CBr)CNC(=O)c1ccc(I)c(Cl)c1 2140714419 PEFWBQFCPLDCLG-AWEZNQCLSA-N 454.533 4.099 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CC[C@H](Cl)CC12CC2 2142286596 FPOAYHFYCQSFKB-JTQLQIEISA-N 454.533 4.430 50 10 JIGE O=C(c1cccc(F)c1I)N1C[C@H]2[C@H](Br)CCC[C@H]2C1 2150974542 WHXOYANJVMYOMV-MVWJERBFSA-N 452.105 4.066 50 10 JIGE CC(C)(C)OC(=O)N[C@@H](C[S@@](C)(=O)=NCC1(CBr)CCOCC1)C(C)(C)C 2163065199 YHKRLYXDIXCFEJ-KUNJGFBQSA-N 469.486 4.215 50 10 JIGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Br)c2)cc(Cl)c1OCC(=O)O 2294156139 SKZTYHHTRBNYLH-UHFFFAOYSA-N 465.687 4.120 50 10 JIGE COC(=O)c1ccc(COc2ccc(C=C(C#N)C(=O)NCCc3ccccc3)cc2OC)cc1 2297381903 UQEPDMGDXFGVTP-UHFFFAOYSA-N 470.525 4.327 50 10 JIGE CS(=O)(=O)C[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2300171700 FGXAKPIAVOBBFO-YFKPBYRVSA-N 473.383 4.485 50 10 JIGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)CS(C)(=O)=O 2301488194 YFUVHKPLARCZCX-SSDOTTSWSA-N 452.965 4.140 50 10 JIGE C[C@@](N[C@H]1C[C@H](Br)C1)(C(=O)O)c1cc(Br)c(Br)s1 2324876496 IIPDFUDHMBSDME-BVMVBECYSA-N 462.001 4.088 50 10 JIGE O=C(c1ccc(I)cc1)N1CC[C@@H](Br)C[C@H]1C(F)(F)F 2361451832 DCHMQSRDHBPHNJ-KOLCDFICSA-N 462.047 4.222 50 10 JIGE CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)/C(C#N)=C/c2ccc(OCC)c(OC)c2)c(OC)c1 946984 CJNHUKYVRHJOGC-UHWBUFEVSA-N 476.485 4.085 50 10 JIGE CCc1cc2c3c(c1)[C@]1(C(=O)N3C(C)(C)C[C@@]2(C)c2ccccc2)C(C#N)=C(N)Oc2[nH]nc(C)c21 2444201 GIEQNIXMXWDHTL-VMPREFPWSA-N 479.584 4.488 50 10 JIGE COc1cc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(Cl)cc3)cc2)cc(OC)c1OC 10039561 AWLFJBITZDAWMH-MZJWZYIUSA-N 498.919 4.114 50 10 JIGE C=CCOc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2OCCCCCC)cc1 14033101 AKMFINRNXVXWFW-UHFFFAOYSA-N 455.580 4.160 50 10 JIGE O=C(COc1cccc2ccccc12)NNC(=O)c1ccccc1OCCOc1ccccc1 14040589 MOIZQXZBMYDLTC-UHFFFAOYSA-N 456.498 4.138 50 10 JIGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)NC[C@H]3CCCO3)c(Oc3ccc(Cl)cc3Cl)nc12 34705915 KOHSSXBUQJBTLN-XBNGYDHASA-N 499.354 4.304 50 10 JIGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)cc1 38650351 LCGKKMFNMHRTCB-IZHWHUGBSA-N 460.461 4.425 50 10 JIGE Cc1sc(Br)cc1S(=O)(=O)N[C@@](C)(CBr)c1ccccc1 134455292 RWIYJDHATXPPGX-AWEZNQCLSA-N 453.221 4.408 50 10 JIGE O=C(c1cc(I)ccc1Br)N(CCCl)CC(F)(F)F 236126753 PYEMQOXDZWQGLL-UHFFFAOYSA-N 470.454 4.297 50 10 JIGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNC(=O)c3cccc(C)c3)cc2)cc1 254478125 MFOLADZBROBDBX-UHFFFAOYSA-N 487.556 4.273 50 10 JIGE O=C(NN=Cc1ccccc1OC(=O)c1ccco1)/C(=C/c1cccs1)NC(=O)c1ccccc1 254852033 DJVZNPYMEGGEDN-LAPVNITMSA-N 485.521 4.482 50 10 JIGE C[C@H]1CCN(S(=O)(=O)c2cc(CCl)oc2Br)CCN1Cc1ccccc1 382648197 QTHADWGWNFUTLH-AWEZNQCLSA-N 461.809 4.066 50 10 JIGE FC(F)(F)Oc1cc(I)c(Br)nc1CBr 396187774 XUSPWYIPJVZNMK-UHFFFAOYSA-N 460.813 4.242 50 10 JIGE C[C@H]1CN(S(=O)(=O)c2ccc(CCl)cc2Br)CCN1Cc1ccccc1 396335615 JNANLRULEMFJBI-HNNXBMFYSA-N 457.821 4.083 50 10 JIGE C[C@@H]1CCN(C(=O)c2cc(Cl)ccc2I)C[C@H]1CBr 704039216 JBNLZUBUGJBFIU-NXEZZACHSA-N 456.549 4.438 50 10 JIGE O=C(COc1ccc2cc(Br)ccc2c1Br)NN=Cc1ccc(O)cc1O 1084242570 INOGSCMPBUYPTF-UHFFFAOYSA-N 494.139 4.305 50 10 JIGE COc1ccc(NC(=O)C(=O)NN=Cc2cc(C)n(-c3cc(C)ccc3C)c2C)cc1Cl 1084559431 TXAMIAIFZCPTQP-UHFFFAOYSA-N 452.942 4.462 50 10 JIGE C#CCCOc1ccc(C(=O)NNC(=O)c2ccc(COc3ccc(OCC)cc3)cc2)cc1 1350102270 GUTDGSHCJGVAJB-UHFFFAOYSA-N 458.514 4.141 50 10 JIGE C=CC[C@]1(C(=O)NNc2ccc(OC)cc2Br)CCCN1C(=O)OC(C)(C)C 1633806730 BOLDWGFCSCDAOE-HXUWFJFHSA-N 454.365 4.247 50 10 JIGE C#CCN(CC(=O)NNc1c(Cl)cc(Br)cc1Cl)C(=O)OC(C)(C)C 1634551878 IVMHULZOTUHMDC-UHFFFAOYSA-N 451.148 4.069 50 10 JIGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(N3CCCC[C@@H]3C)cc2C)cc1 1668012466 HQRIMCYZWRVYJZ-PKOBYXMFSA-N 452.555 4.197 50 10 JIGE Cc1ccc(S(=O)(=O)CCCC(=O)NNC(=O)c2ccc(-c3ccc(Cl)cc3)nc2C)cc1 1865755908 WOVWHMLBODOZBQ-UHFFFAOYSA-N 485.993 4.034 50 10 JIGE CCc1cccc(CC)c1N1C[C@@H](C(=O)NNC(=O)c2ccc(-c3ccc(C)cc3)nc2C)CC1=O 1865757383 AEOKVLDBGCZUGM-QHCPKHFHSA-N 484.600 4.304 50 10 JIGE COCCOc1ccc(/C=C(\C#N)C(=O)N[C@H]2CCCc3c2c(C)nn3Cc2ccccc2)cc1 1866214044 OZNWTDQBQUVJPW-QXHVWWCLSA-N 470.573 4.366 50 10 JIGE COCC(COC)COc1c(Br)cc(CBr)cc1Br 1910129870 MBDLMWVJUODDHH-UHFFFAOYSA-N 460.988 4.394 50 10 JIGE O=C(N[C@@H](CCCl)C(F)F)c1cc(I)ccc1Br 1918584204 OXGOYOSLBNMRRM-VIFPVBQESA-N 452.464 4.046 50 10 JIGE C[C@]1(CBr)CCN(c2ncc(I)cc2Br)C1 1988530220 CCBMGELMGJVUFR-LLVKDONJSA-N 459.951 4.060 50 10 JIGE C[C@H](Br)CCc1cn(-c2ccc(I)c(Br)c2)nn1 2068991349 MSJDSDJJILMQRB-QMMMGPOBSA-N 484.961 4.350 50 10 JIGE O=C(N[C@@H](CBr)C[C@@H]1CCOC1)c1ccc(Br)cc1Br 2195479329 PIHARKYLWBULFW-GXSJLCMTSA-N 469.999 4.132 50 10 JIGE C[C@](CI)(O[C@@H]1CN2CCC1CC2)c1ccccc1Br 2198015642 ZKZRRJDSEMUMFJ-HZPDHXFCSA-N 450.158 4.210 50 10 JIGE Cc1ccc(I)c(C(=O)N2[C@H]3CC[C@H]2[C@H](F)[C@H](Br)C3)c1 2240925400 XWUJATCCGGSRSX-PCGAWMICSA-N 452.105 4.078 50 10 JIGE CC(C)(C)OC(=O)N[C@H]1CCN(CCCCI)[C@@H](C(F)(F)F)C1 2243586782 VTHGEXWSMNTPPV-NWDGAFQWSA-N 450.283 4.122 50 10 JIGE CC[C@H](C)[C@H](CI)NC(=O)c1c(F)cccc1I 2255924951 BAQXSKMCYOPKGJ-KWQFWETISA-N 475.083 4.010 50 10 JIGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2C(=O)O)ccc1OS(=O)(=O)c1ccc(C)cc1 2293152578 FNIZIRWUPHRFOC-UHFFFAOYSA-N 492.509 4.015 50 10 JIGE CCCCOc1ccc(C=C(C#N)C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2OC)cc1 2314737751 PVFTXXXCHJAMIF-UHFFFAOYSA-N 485.606 4.450 50 10 JIGE CC(C)(C)OC(=O)N1C[C@H](I)[C@@H](O[C@@H]2CCOc3ccc(F)cc32)C1 2317049835 DKSNASVCYIHIGS-IMJJTQAJSA-N 463.287 4.089 50 10 JIGE COc1ccc(-c2csc(C(C#N)=C(O)CCc3nc4ccccc4[nH]c3=O)n2)c(OC)c1 2331386862 VNKGXMJHLUCMDH-UHFFFAOYSA-N 460.515 4.489 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CC[C@H]2[C@H](CBr)[C@H]2C1 2333120668 ALHJIIHTSHUPOL-DCAQKATOSA-N 498.984 4.157 50 10 JIGE Cc1nc(CCl)cc(OCc2cc(I)ccc2Br)n1 2341552162 LFIVPMXJMPNSLC-UHFFFAOYSA-N 453.505 4.470 50 10 JIGE ClC[C@@H]1CN(Cc2ccc(I)c(Br)c2)C2(CC2)CO1 2349838880 XHKKCVFCSCNHPS-LLVKDONJSA-N 456.549 4.026 50 10 JIGE CN([C@@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]21)S(=O)(=O)[C@@H]1CC[C@H](CBr)C1 2357092603 YPHYMFOIYALFIP-POHNSKBLSA-N 456.446 4.196 50 10 JIGE COc1ccc([C@@H](Br)c2c(Br)ncn2C)c(OC)c1Br 2362431588 GJNFHJPTCUQNOW-SECBINFHSA-N 468.971 4.447 50 10 JIGE Cc1nc(Br)c([C@@H](Cl)c2cc(I)cc3c2OCC3)n1C 2362446926 QHYFLTBAIUCRHV-NSHDSACASA-N 467.532 4.359 50 10 JIGE N#C/C(=C/c1ccccc1OCC(=O)NCc1ccccc1)c1nn(-c2ccccc2)c(N)c1C#N 33471718 RSAGFFCMMDGWRP-JCMHNJIXSA-N 474.524 4.086 50 10 JIGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cc(OC)ccc2OC)cc1 38659932 DMPOWESUADYDAW-HHHXNRCGSA-N 486.524 4.469 50 10 JIGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)c1 38701194 XMAHMJOJIMKLRL-RPBOFIJWSA-N 470.481 4.049 50 10 JIGE CCCN(CCC)CN1C(=O)/C(=N/NC(=O)c2ccccc2)c2cc(Br)ccc21 102939385 ZBXJGGBVBBCUEG-HIXSDJFHSA-N 457.372 4.009 50 10 JIGE N#C/C(=C/N1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 217231661 UCHIJTLQKYXYNI-ATJXCDBQSA-N 467.529 4.348 50 10 JIGE CC(C)(C)c1ccc(OCCN2C(=O)C(=NNC(=O)COc3ccccc3)c3ccccc32)cc1 245266921 KRUHWLDLPATWGU-UHFFFAOYSA-N 471.557 4.309 50 10 JIGE Cc1ccccc1OCC(=O)NN=C1C(=O)N(CCOc2cccc3ccccc23)c2ccccc21 245285896 ZKXQZVNOEAOFRC-UHFFFAOYSA-N 479.536 4.473 50 10 JIGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccc(C)cc3)cc2)cc1 254518394 CMOUOYRYJLZHRT-UHFFFAOYSA-N 459.502 4.092 50 10 JIGE COc1cc([N+](=O)[O-])ccc1-c1ccc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)o1 254702594 USYIPEJQGCIAIG-UHFFFAOYSA-N 471.469 4.250 50 10 JIGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2ccc([N+](=O)[O-])cc2)C1 382698393 YTOVLPRRPCDSCY-AEFFLSMTSA-N 466.275 4.382 50 10 JIGE C[C@H]1CCN(C(=O)c2cc(Cl)ccc2I)C[C@H]1CBr 704039237 JBNLZUBUGJBFIU-VHSXEESVSA-N 456.549 4.438 50 10 JIGE O=C1Nc2cc(Cl)ccc2[C@H]1C1CCN(S(=O)(=O)c2ccc(CCCl)cc2)CC1 727463005 BUAOFKQYFQWBEV-HXUWFJFHSA-N 453.391 4.258 50 10 JIGE COc1cccc(NC(=O)C(=O)NN=Cc2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)c1 1084286240 ZTSIAINHNUVXNF-UHFFFAOYSA-N 459.333 4.498 50 10 JIGE C=CCn1c(CNc2ccccc2)nnc1S[C@H](C)C(=O)NN=C(C)c1ccc([N+](=O)[O-])cc1 1084366789 KWBHRBBHPGPKMT-QGZVFWFLSA-N 479.566 4.005 50 10 JIGE CC(=O)N1Cc2ccc(NC(=O)NNC(=O)c3cc4c(s3)CC[C@@H](C(C)(C)C)C4)cc2C1 1562450689 ZKWKAYPINJCBLS-GOSISDBHSA-N 454.596 4.228 50 10 JIGE O=[N+]([O-])c1ccc([C@H]2CN(Cc3ccccc3)C[C@H]2CI)c([N+](=O)[O-])c1 1614701501 KXHFFFKXQIPRIE-PBHICJAKSA-N 467.263 4.154 50 10 JIGE CC(=O)N(c1ccc(NC(=O)NNC(=O)c2cc(C)n(-c3ccccc3)c2C)cc1)[C@H]1C[C@@H]1C 1670263807 MRVYCHLQVDPESS-FYSMJZIKSA-N 459.550 4.322 50 10 JIGE CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865705787 FXUJTLVFASFCHX-LJQANCHMSA-N 453.861 4.413 50 10 JIGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865714970 SAOWTLQIWFXYOH-FQEVSTJZSA-N 465.897 4.369 50 10 JIGE COCCOc1ccc(/C=C(\C#N)C(=O)NCc2ccc3n2CCN(C(=O)OC(C)(C)C)[C@H]3C)cc1 1866213770 BONAYDRFMBQFEQ-XSLGSPGOSA-N 494.592 4.048 50 10 JIGE COc1ccc(C)cc1-c1csc(/C(C#N)=C(\O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)n1 1873920273 BPITZJLKRYAPMM-ZPHPHTNESA-N 495.557 4.376 50 10 JIGE O=C1c2ccccc2C(=O)N1CCCc1nccn1C[C@@H](CBr)c1ccccc1 1913027399 WVCDZNLMOYMSNA-GOSISDBHSA-N 452.352 4.291 50 10 JIGE CN(C)CCCN(Cc1ccccc1)S(=O)(=O)c1cc(CBr)oc1Br 2059264377 FBZZRKSZKURMEF-UHFFFAOYSA-N 494.249 4.080 50 10 JIGE CSCC[C@H](Br)CCNS(=O)(=O)c1cc(C)c(Br)s1 2090378112 YWRDMXPTBTYDEJ-SECBINFHSA-N 451.271 4.004 50 10 JIGE Brc1ccc(Br)c(CN2CC3(C2)OCCC[C@H]3Br)c1 2118528581 KLSAWUXUHLFTOF-CYBMUJFWSA-N 454.000 4.340 50 10 JIGE CC1(C)C[C@H](N(Cc2ccccc2)S(=O)(=O)c2ccc(CCBr)s2)CO1 2123237208 NOILOZUVERJRQE-INIZCTEOSA-N 458.443 4.444 50 10 JIGE COc1ccc([C@@H](Br)c2nn(C)cc2Br)cc1I 2257368774 JNZBFACLOPKCBJ-LLVKDONJSA-N 485.945 4.280 50 10 JIGE O=C(c1c(F)cccc1I)N1[C@H]2CC[C@H]1CC(CBr)C2 2282792643 SHCMZMFOENNSBT-QWRGUYRKSA-N 452.105 4.208 50 10 JIGE COc1ccc(C=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2)cc1Cl 2295483083 YYJIPAUOAXQBSO-UHFFFAOYSA-N 476.964 4.336 50 10 JIGE Cc1c(NC(=O)C(C#N)=Cc2ccc(COc3ccc([N+](=O)[O-])cc3)o2)c(=O)n(-c2ccccc2)n1C 2295635789 DTHYHVJSAAMMFJ-UHFFFAOYSA-N 499.483 4.110 50 10 JIGE CC(CC(=O)Nc1cccc(Cl)c1C)=NNC(=O)c1cccc(I)c1 2297710232 IZWDKCDYXIQLTM-UHFFFAOYSA-N 469.710 4.388 50 10 JIGE CC(=O)Oc1ccc(-n2c(C)cc(C=C(C#N)C(=O)N3CCN(c4ccccc4)CC3)c2C)cc1 2313545744 BZEIWNHBSSOORU-UHFFFAOYSA-N 468.557 4.275 50 10 JIGE N#CC(=Cc1cccc(Br)c1)C(=O)Nc1c(Br)cccc1C(=O)O 2329697731 HTYHBXDYVHVCQS-UHFFFAOYSA-N 450.086 4.455 50 10 JIGE O=C(c1cc(I)sn1)N1CC[C@H](C2CCC(Br)CC2)C1 2381284642 BAFAVPYTPSDMDN-YVNMAJEFSA-N 469.186 4.164 50 10 JIGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)c3ccc(F)cc3)cc2)cc1 12501054 IBAZDRCBCRMVSC-UHFFFAOYSA-N 492.576 4.325 50 10 JIGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=S)NC(=O)c2ccc(Cl)cc2Cl)c1 12501497 XNLJWJGLXSWIDH-UHFFFAOYSA-N 454.379 4.140 50 10 JIGE O=C(NN1C(=O)/C(=C\c2ccccn2)N=C1c1ccccc1)[C@H](Cl)CC(Cl)(Cl)Cl 34772548 BSXHGUHUKWCTCD-MFYHJKBNSA-N 472.159 4.110 50 10 JIGE O=C(NNc1ncnc(Nc2cccc3ncccc23)c1[N+](=O)[O-])c1ccccc1Br 40658366 BNUMYGUTYCWJIY-UHFFFAOYSA-N 480.282 4.196 50 10 JIGE Cc1cc(C=NNC(=O)CN(c2ccccc2)S(C)(=O)=O)c(C)n1-c1cc(Cl)ccc1Cl 252618967 LLRYTQLSXYAJSX-UHFFFAOYSA-N 493.416 4.317 50 10 JIGE O=S(=O)(c1c(Cl)cccc1Br)N(CCBr)CC(F)(F)F 312363080 OPVUDBCOKIICPK-UHFFFAOYSA-N 459.509 4.050 50 10 JIGE C[C@H]1[C@H](Br)C[C@H]2CC[C@H]1N2C(=O)c1cccc(F)c1I 721679123 MVBOUSQOMLJAAR-SEMCEJNYSA-N 452.105 4.207 50 10 JIGE CC(C)c1ccc(S(=O)(=O)c2ccc(NNC(=O)NCc3ccc(C#N)cc3F)cc2)cc1 729880012 SBDASLIDPWWNIK-UHFFFAOYSA-N 466.538 4.480 50 10 JIGE COc1ccc(NC(=O)C(=O)NN=Cc2cc(C)n(-c3c(C)cccc3C)c2C)cc1Cl 1083936605 PBEAWFMGQVQNMK-UHFFFAOYSA-N 452.942 4.462 50 10 JIGE O=C(NN=C1C(=O)N(Cc2cccc3ccccc23)c2ccccc21)c1cccc([N+](=O)[O-])c1 1084171242 OZVYAQWBVDEBAD-UHFFFAOYSA-N 450.454 4.429 50 10 JIGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1 1084325578 KQSKHMGIKZYMPP-OAQYLSRUSA-N 467.478 4.226 50 10 JIGE CCCN(CCC)C(=O)COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3CC(C)C)cc1OC 1865709027 LWEFPSNHQFBXFJ-VWLOTQADSA-N 495.624 4.102 50 10 JIGE CC(C)CSc1ccc(C(=O)NNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(F)cc2)C3=O)cc1 1865758016 FQCCIDOJQZYXKW-UHFFFAOYSA-N 491.544 4.449 50 10 JIGE CC(C)(C)OC(=O)N(CCNC(=O)[C@H](Br)C1CCCC1)OCc1ccccc1 1955039237 SXKQOJPKQYHPFX-GOSISDBHSA-N 455.393 4.425 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@H]2C[C@H](Br)[C@H]1C2 2057056704 JUWWKLOBRDQMEJ-VIRWGQHYSA-N 484.957 4.052 50 10 JIGE COCCN(C)C[C@H](Br)CCc1ccc(Br)cc1Br 2099442165 LIKQYUFIOXRRKR-CYBMUJFWSA-N 458.032 4.486 50 10 JIGE O=C(N[C@@H]1CC[C@@H]2C[C@]21CBr)c1ccc(I)c(Br)c1 2132106091 KFSWHTSZBFFQFN-IUPBHXKESA-N 498.984 4.347 50 10 JIGE COc1ccc([C@H](Br)c2cc(Br)n(C)n2)c(OC)c1Br 2150479242 ULVVNEIWPMEAKE-NSHDSACASA-N 468.971 4.447 50 10 JIGE COc1ccc(O[C@@H]2C[C@H](Br)[C@H]2OCC(C)C)cc1I 2165551389 MITOTKDZQHHZCE-NILFDRSVSA-N 455.130 4.256 50 10 JIGE C[C@@]1(CCOCc2ccccc2)CCN1S(=O)(=O)c1ccc(CCBr)cc1 2197751469 GORQRQYEHYJSAH-NRFANRHFSA-N 452.414 4.384 50 10 JIGE O=C(NC1(CCBr)CCSCC1)c1c(F)cccc1I 2282805040 CPSCRRVQBCDRIX-UHFFFAOYSA-N 472.161 4.211 50 10 JIGE CCN(CC)c1ccc(C=C(C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 2297382303 IPRLYEUVHZWWQX-UHFFFAOYSA-N 466.607 4.253 50 10 JIGE C[C@@H]1Cc2cc(C=C(C#N)C(=O)Nc3sc4c(c3C(=O)NC[C@H]3CCCO3)CCCC4)ccc2O1 2314617632 LQKWOKJPDFUYIM-OXQOHEQNSA-N 491.613 4.405 50 10 JIGE CCCOc1ccc(C=C(C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)cc1 2314736544 NOOJFTIYSBNJGN-UHFFFAOYSA-N 491.573 4.229 50 10 JIGE CC(=O)Nc1ccc(NC=C(C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 2324598973 WCVJUMDWKVTQDV-UHFFFAOYSA-N 479.584 4.398 50 10 JIGE C[C@@H](Br)C[C@H]1COCCN1Cc1ccc(Cl)cc1I 2341009305 JJLVNJRMHJDMTR-MFKMUULPSA-N 458.565 4.319 50 10 JIGE O=C(CCc1ccccc1O)N/N=C1\C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 59147143 VWOFFRWOGBWWFN-COOPMVRXSA-N 492.373 4.197 50 10 JIGE COc1cc(/C=C2/C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)cc(OC)c1OC 101340882 YYAYQXLSTXLNET-RQZCQDPDSA-N 452.894 4.158 50 10 JIGE N#C/C(=C\c1cccn1-c1ccc(Br)cc1)C1=NN(c2ccccc2)[C@@H](N)[C@@H]1C#N 103792415 FOQXPDSDGJLLSQ-IDTKGWKNSA-N 457.335 4.448 50 10 JIGE CCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc(/C=C(\C#N)C(=O)NC(C)C)cc2OC)cc1 206429125 ITLNMHZLYINQHX-LZGPLHLBSA-N 473.529 4.428 50 10 JIGE COc1ccc(CCNC(=O)/C(C#N)=C\N(Cc2ccccc2)Cc2ccccc2)cc1OC 216782157 OUVWSIXUZKZTDH-DAFNUICNSA-N 455.558 4.472 50 10 JIGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1cc([N+](=O)[O-])ccc1Br)[C@@H](Br)C2=O 256019327 UNYHJPZUMZIBNS-VUCTXSBTSA-N 474.149 4.455 50 10 JIGE COc1cccc(C(C)=NNC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2C)c1 263625745 LNPBMJRSBFHALA-UHFFFAOYSA-N 472.570 4.335 50 10 JIGE O=S(=O)(c1cc(CCl)oc1Br)N1CC[C@@H]2CC[C@H](C1)N2Cc1ccccc1 717478640 MSOKFOJCIFYAJV-JKSUJKDBSA-N 473.820 4.209 50 10 JIGE C[C@@H]1C[C@@H](CCl)CN(C(=O)c2ccc(I)c(Br)c2)C1 721617198 WERDIIHTQYAULA-ZJUUUORDSA-N 456.549 4.391 50 10 JIGE C[C@H](OC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1)C(=O)N1c2ccccc2C[C@H]1C 761396453 DSXVDELQOCAPTJ-KMZBNHDVSA-N 479.540 4.280 50 10 JIGE COc1ccc(CNC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)cc1F 915148292 AMKCOSURLZTCGM-LDADJPATSA-N 463.900 4.488 50 10 JIGE CC(=O)N(c1ccc(C)c(C)c1)c1nc(C=NNC(=O)CN2CCCc3ccccc32)cs1 916309973 QCMRIZBPVXIEMD-UHFFFAOYSA-N 461.591 4.347 50 10 JIGE CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNC(=O)c2ccc(CN(C)C)o2)cs1 920370082 GTQJBAAEQBQHES-UHFFFAOYSA-N 479.484 4.265 50 10 JIGE CC1=NN(c2ccccc2)C(=O)[C@H]1C(=NNC(=O)c1cc(Br)ccc1O)c1ccccc1 1083895652 VCIMQEDCLKMQAN-OAQYLSRUSA-N 491.345 4.328 50 10 JIGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc4c(c3)OCO4)cc2)cc1 1084200086 PIDQBWVNHGQNNI-DEOSSOPVSA-N 476.529 4.357 50 10 JIGE Cc1cc(C=NNC(=O)c2ccc(CN3CCOCC3)cc2)c(C)n1-c1ccc(Br)cc1 1084259748 VOVLUIXTCREGSZ-UHFFFAOYSA-N 495.421 4.453 50 10 JIGE CCOc1ccc(C=NNC(=O)c2ccc(I)c(O)c2)c2ccccc12 1084267687 BOOBNIHBMAYRKF-UHFFFAOYSA-N 460.271 4.313 50 10 JIGE Cc1cc2nc(C(=O)N[C@H](Cc3ccccc3)C(=O)Nc3ccc(SC#N)cc3)cc(C3CC3)n2n1 1867167231 VLIHLAKCNQDXAK-JOCHJYFZSA-N 496.596 4.468 50 10 JIGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@H]1C[C@H]1Br 1888846634 ZETDLTIXSPELFK-IFZYUDKTSA-N 457.368 4.203 50 10 JIGE O=C(NC1CC([C@H](F)CBr)C1)c1cc(Cl)ccc1I 1906452505 DAMWHOUZLVVAKF-LKXRVVKTSA-N 460.512 4.186 50 10 JIGE CN(C[C@H](Cl)COCc1ccccc1)S(=O)(=O)c1ccc(F)cc1Br 1916348554 PLHCVZVHYYPEIK-AWEZNQCLSA-N 450.757 4.033 50 10 JIGE O=S1(=O)CC[C@@H]([C@H](Br)c2sc(Br)cc2Br)C1 1922929596 KMUCBFNDEZAZFB-XRGYYRRGSA-N 453.015 4.144 50 10 JIGE CC1(C)C[C@@H](Br)CN1c1ncc(I)cc1Br 1988538323 QODXRGSFFMSSEJ-SSDOTTSWSA-N 459.951 4.201 50 10 JIGE C[C@H](Br)C[C@@H](C)NC(=O)c1ccc(Br)cc1I 2026218910 UEJKMVRKFRFCAU-JGVFFNPUSA-N 474.962 4.346 50 10 JIGE O=C(N[C@@H](CBr)CC1CC1)c1cc(Br)ccc1I 2029977327 LCSXMGUOXMAZFM-SNVBAGLBSA-N 486.973 4.347 50 10 JIGE Clc1c(I)cc(CBr)cc1I 2060263579 RPARUANEYTXLGG-UHFFFAOYSA-N 457.274 4.444 50 10 JIGE CN(C[C@@H]1C[C@@H]1Br)C(=O)c1cc(Cl)cc(Cl)c1I 2076209459 RTNQFFRWSCDQQU-RCOVLWMOSA-N 462.940 4.453 50 10 JIGE O=C(N[C@@H]1CC[C@H]2C[C@]21CBr)c1ccc(I)c(Br)c1 2132106082 KFSWHTSZBFFQFN-BHYNMZESSA-N 498.984 4.347 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CC2(CC2)C[C@@H]1CCl 2142280201 AHFWQHVHNSZAQJ-SNVBAGLBSA-N 454.533 4.287 50 10 JIGE O=S(=O)(N[C@@H]1C[C@H]2C[C@H]1C[C@H]2Br)c1cc(Br)ccc1Br 2160695871 GPVPYQCBDULWQJ-IWXIMVSXSA-N 488.039 4.052 50 10 JIGE FC(F)(F)c1cnc(N2CC[C@@H](Br)[C@@H]2C2CC2)c(I)c1 2187173237 PTOYZOLJRJZIEZ-KOLCDFICSA-N 461.063 4.457 50 10 JIGE CC(C)(C)OC(=O)N[C@H]1CCC[C@H](NS(=O)(=O)c2ccc(CBr)cc2)CC1 2189862149 UEYXGIXRRKNUHI-HOTGVXAUSA-N 461.422 4.086 50 10 JIGE Cc1cc(Br)c(NC(=O)CN(C)C[C@@H]2C[C@H]2Br)c(Br)c1 2196932560 ZPIGTJGZIIFHKK-VHSXEESVSA-N 469.015 4.174 50 10 JIGE Cc1ccc(C(=O)N[C@H](CBr)CC(F)(F)F)cc1I 2224631485 YXNXDSVAVAPJFC-VIFPVBQESA-N 450.036 4.045 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1[C@H]2CC[C@@H](Cl)[C@H]1CC2 2229863979 DKIYGVSFVBIDKT-UFGOTCBOSA-N 454.533 4.428 50 10 JIGE O=C(c1cc(I)sn1)N1C[C@@H](Br)CC12CCCCC2 2232242640 GFQJKQGMCCKFDO-VIFPVBQESA-N 455.159 4.060 50 10 JIGE C[C@@H](Cl)c1nc2c(Br)cccc2n1-c1cnn(C)c1I 2280057120 NMNNGZVBJZETOH-SSDOTTSWSA-N 465.520 4.426 50 10 JIGE Cc1nn2c(=O)cc(COc3ccc(C=C(C#N)C(=O)Nc4ccc(F)cc4)cc3Cl)nc2s1 2297350779 SNUFCYJQANBFGZ-UHFFFAOYSA-N 495.923 4.377 50 10 JIGE BrC[C@H]1CSCCN1Cc1ccc(I)c(Br)c1 2306225993 XQSZOQFDRPRCRE-JTQLQIEISA-N 491.030 4.366 50 10 JIGE CCc1cccc2c(C=C(C#N)C(=O)NCc3ccc4c(c3)OCO4)cn(CC(=O)NC3CCCC3)c12 2313623810 FMGIWZXPKYPWCS-UHFFFAOYSA-N 498.583 4.215 50 10 JIGE CCOc1ccc(C=CC(=O)NNC(=O)c2ccc(-c3ccc(F)c(F)c3)nc2C)cc1OC 2321070499 QAAUYXOKBUPBTR-UHFFFAOYSA-N 467.472 4.217 50 10 JIGE CCOc1ccccc1C=NNC(=O)c1ccc2nc(Cc3ccc(OC)c(OC)c3)[nH]c2c1 2323720647 SQKDRQLSCVUHED-UHFFFAOYSA-N 458.518 4.334 50 10 JIGE BrCc1cccc(OCc2ncc(I)cn2)c1Br 2327893217 FBPWXYMAJLNZCD-UHFFFAOYSA-N 483.929 4.318 50 10 JIGE N#CC(=Cc1ccc(Br)cc1)C(=O)Nc1ccc(Br)cc1C(=O)O 2329662077 FJQGELZHMLXJNF-UHFFFAOYSA-N 450.086 4.455 50 10 JIGE C[C@]1(CBr)COCCN(Cc2ccc(Cl)cc2I)C1 2341011072 KUHCLLUSZXMKSR-CQSZACIVSA-N 458.565 4.178 50 10 JIGE O=C(COc1ccc(Cl)cc1Cl)NC(=S)NNC(=O)C(c1ccccc1)c1ccccc1 12502404 QTBZAAQRXKACSS-UHFFFAOYSA-N 488.396 4.226 50 10 JIGE Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=O)COc2ccc3ccccc3c2Br)c1 12578200 NYZNEDLVHKQAAY-UHFFFAOYSA-N 498.377 4.164 50 10 JIGE O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NN=Cc1ccc(Cl)cc1)c1cccs1 13138944 SMDSENIYQGHCLF-FQEVSTJZSA-N 450.951 4.374 50 10 JIGE Cc1cccc(O[C@H](C)C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)c1 13993349 ZLZMOMMBPNAAFT-OAHLLOKOSA-N 463.372 4.049 50 10 JIGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)c(OC)c1 38657020 RAGONNVZCKKSEN-BZQUYTCOSA-N 490.487 4.434 50 10 JIGE Cc1c(C(=O)NC2CCCC2)oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2 40812796 NZFZAZCXSFLLDM-KOEQRZSOSA-N 458.356 4.493 50 10 JIGE COc1ccc(/C=N/NC(=O)c2ccccc2F)cc1CN1CCN(c2ccc(F)cc2)CC1 58079045 VEMWRCJAJCQIPW-STBIYBPSSA-N 464.516 4.060 50 10 JIGE C/C(=N\NC(=O)CCCSc1nnc(-c2cccc([N+](=O)[O-])c2)n1N)c1ccc2ccccc2c1 58991227 KQSLQNLPNOZMNJ-WGOQTCKBSA-N 489.561 4.133 50 10 JIGE O=C1/C(=N/NC(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc2N1Cc1cccc([N+](=O)[O-])c1 59166354 LXDUSIRZYWYRGF-SLEBQGDGSA-N 458.518 4.178 50 10 JIGE C/C(=N/NC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1)c1ccc(C#N)cc1 95949791 BOWFFCQRIXVTIT-MYYYXRDXSA-N 452.923 4.166 50 10 JIGE CCN(CCCBr)S(=O)(=O)c1cc(Br)c(C)cc1Br 165686247 XPZKXEZEBPDQPW-UHFFFAOYSA-N 478.044 4.316 50 10 JIGE C=CCOc1ccc(/C=C2\C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1OCC 214397523 VQVKAUUXPCPHAP-HMAPJEAMSA-N 458.514 4.451 50 10 JIGE COc1ccccc1N/C=C(/C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216486439 AQJZXJOHGRZUDG-FLFQWRMESA-N 452.558 4.448 50 10 JIGE O=C(N[C@@H]1CCC[C@@H]1CBr)c1cc(I)ccc1Br 231571877 JMMGWBZDWCMVIG-PRHODGIISA-N 486.973 4.347 50 10 JIGE C[C@H]1CCC[C@@](CBr)(NC(=O)c2cc(I)ccc2O)C1 235624847 VPAJQNOBPKYJOZ-ZUZCIYMTSA-N 452.130 4.070 50 10 JIGE CC(=NNC(=O)c1ccc(Cn2cccn2)o1)c1ccc(NC(=O)c2ccc(Br)o2)cc1 252626702 REAWYCGPBUFCIB-UHFFFAOYSA-N 496.321 4.286 50 10 JIGE Nc1cc(N)nc(SCC(=O)N/N=C(\Cc2ccccc2)c2ccc(-c3ccccc3)cc2)n1 253563558 FOAGGGWGRCANHH-DFKUXCBWSA-N 468.586 4.163 50 10 JIGE COc1ccc(/C=C/C=NNC(=O)/C(=C/c2cc(OC)ccc2OC)NC(=O)c2ccccc2)cc1 254386102 RRQPPYWJGWTBGC-WUARGEQTSA-N 485.540 4.299 50 10 JIGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3cccc4ccccc34)cc2)cc1OC 254391805 XOHJBBQJAFBVJY-UHFFFAOYSA-N 497.507 4.165 50 10 JIGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3c(C)cccc3C)cc2OC)cc1 254844898 PRJJRGQCABMZDL-UHFFFAOYSA-N 462.502 4.069 50 10 JIGE CC[C@@H](Br)[C@@H](CC)NS(=O)(=O)c1cc(Br)ccc1Br 313074952 ASHBZXRMGQUZPT-MWLCHTKSSA-N 478.044 4.442 50 10 JIGE O=[N+]([O-])c1sc(CBr)cc1N1CCO[C@H]2CCN(Cc3ccccc3)C[C@@H]21 404199932 QSNWHZWKVQSWPY-ROUUACIJSA-N 452.374 4.031 50 10 JIGE CC1(C)O[C@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](n3ccc4c3NC(=N)N[C@@H]4Cl)[C@@H]2O1 616585161 HNXBSOSHEWZABA-LBKYZSNHSA-N 457.047 4.115 50 10 JIGE O=C(NNC(=O)N1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1)c1ccc2ccccc2c1 727474770 LDHNFWMVFTZMBM-JOCHJYFZSA-N 462.937 4.296 50 10 JIGE N#CCCn1cc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccccc2)c(-c2ccc(Cl)cc2)n1 782094394 FTUYJPIYPVGHEA-QGOAFFKASA-N 459.893 4.206 50 10 JIGE CN(C)[C@@H](CNC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1)c1ccccc1 827533320 DHGNCEITPAHNSY-VNSJDZJPSA-N 472.980 4.443 50 10 JIGE CC(C)N(C)C(=O)C1CCN(C(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)CC1 915184671 DPSGEUPICPORSD-RCCKNPSSSA-N 493.011 4.130 50 10 JIGE CCC(=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(=O)C[C@@]21C 1073270402 VAUBWHIQMRKGBN-RIZPJBCYSA-N 464.961 4.311 50 10 JIGE CC(=O)N(c1ccc(NC(=O)NNC(=O)c2ccc(OCCC(C)C)cc2)cc1)[C@H]1C[C@@H]1C 1672172701 MTVHYNUGEPZKFA-SBUREZEXSA-N 452.555 4.339 50 10 JIGE COC(=O)c1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 1772745260 VDSWUCQRCSFOHA-UHFFFAOYSA-N 490.472 4.006 50 10 JIGE COc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1cccnc1)CCC2 1772746324 UOWRVCLPGNVKGK-UHFFFAOYSA-N 452.898 4.368 50 10 JIGE Cc1c(C(=O)N2c3ccccc3C[C@@H]2C)oc2c1C(=NNC(=O)COc1ccccc1)CCC2 1772748792 DSJCSEKAHCXHEF-KRWDZBQOSA-N 457.530 4.415 50 10 JIGE C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)N/N=C/c4ccc(C(F)(F)F)cc4)c(=O)c23)C1 1860773749 DDOMPHDTEJGGMG-IVPMDOKPSA-N 462.497 4.313 50 10 JIGE N#CSc1ccc(NC(=O)[C@@H](CO)NC(=O)C[C@H](c2ccc(F)cc2)c2cccc(F)c2)cc1 1866780943 JZOIGAQMKZSVPA-DHIUTWEWSA-N 481.524 4.176 50 10 JIGE CCOC(=O)C12CC(CI)(C1)O[C@H]2c1cccc(OC(F)(F)F)c1 2049395536 JWSJDJFNAGSEOJ-GRTSSRMGSA-N 456.198 4.174 50 10 JIGE CC[C@H](C)[C@@H](CI)NC(=O)c1cccc(F)c1I 2081239505 SVTPWWBSMOYEGM-GZMMTYOYSA-N 475.083 4.010 50 10 JIGE COCCOCCN(Cc1ccccc1)S(=O)(=O)c1cc(CCl)sc1Br 2095885650 QXFRRMKXFYRXKD-UHFFFAOYSA-N 482.849 4.103 50 10 JIGE O=C(Cc1ccccc1I)N[C@@H](CBr)c1ccsc1 2119052789 CGWYOLUENFGHCG-ZDUSSCGKSA-N 450.139 4.148 50 10 JIGE O=S(=O)(c1cc(CBr)ccc1Cl)N1CCCN(Cc2ccccc2)CC1 2123207448 ABHFAYQVYXDZNY-UHFFFAOYSA-N 457.821 4.132 50 10 JIGE O=C(c1c(Br)cccc1Br)N1C[C@@H]2CC(Br)C[C@H]2C1 2128654372 GCELCPYJDPKQIY-IUCAKERBSA-N 451.984 4.457 50 10 JIGE O=C(N[C@@H]1CC[C@@H]2C[C@]21CBr)c1cc(Br)ccc1I 2132115724 LWCTWJLLFYOBFJ-RGZBUGHASA-N 498.984 4.347 50 10 JIGE O=C(Cc1ccccc1I)N[C@H]1CCCC[C@H]1CCBr 2146715907 RCOCWAKLQDFZNL-WFASDCNBSA-N 450.158 4.294 50 10 JIGE COCCOCCN(Cc1ccccc1)S(=O)(=O)c1cc(CCl)ccc1Br 2152212989 JHJYCSYVAWPUAC-UHFFFAOYSA-N 476.820 4.042 50 10 JIGE CC1(C)C[C@H](N(Cc2ccccc2)S(=O)(=O)c2cc(CBr)ccc2F)CO1 2179786801 GGEOJZDOLKMTFS-KRWDZBQOSA-N 456.377 4.479 50 10 JIGE Cc1sc(CBr)cc1S(=O)(=O)N1C[C@H]2CN(Cc3ccccc3)C[C@]2(C)C1 2179820787 BYPBXMJBANMBFC-YLJYHZDGSA-N 469.470 4.094 50 10 JIGE CC(C)(C)OC(=O)N1CCC([S@](C)(=O)=NCCCCCI)CC1 2211184787 NEFAZFFNNZYZAL-QHCPKHFHSA-N 458.406 4.089 50 10 JIGE Cc1ccc(C(=O)N[C@@](C)(CBr)C(F)(F)F)cc1I 2224618294 HMJILENKGDGDGY-NSHDSACASA-N 450.036 4.045 50 10 JIGE Cc1nn(C)c([C@H](Br)c2cc(I)cc3c2OCC3)c1Cl 2240918390 DCZLYYOJCQZWHE-LLVKDONJSA-N 467.532 4.406 50 10 JIGE CC[C@H]1[C@@H](Br)CCN1C(=O)c1ccc(Br)cc1I 2260360667 FQOWXPGURWWEMY-JQWIXIFHSA-N 486.973 4.442 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N[C@@H]1CC[C@@H](CBr)C1 2277914237 FUKPNFUGXNZFSB-NOZJJQNGSA-N 454.000 4.434 50 10 JIGE CCOC(=O)C(C#N)=C(O)c1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc1 2297551005 LLXYQOQESHNDOF-CVQXOBEKSA-N 490.515 4.439 50 10 JIGE O=C(N[C@H]1C[C@@H]2C[C@H]1C[C@H]2Cl)c1ccc(I)c(Br)c1 2330905758 YEZNDRCAXWLBBK-LKVCOOQKSA-N 454.533 4.189 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CC[C@@H]2[C@H](C1)[C@@H]2CCl 2333350709 DTKZMKFAYZRUPQ-WCQGTBRESA-N 454.533 4.001 50 10 JIGE N#C/C(=C\c1nn(Cc2ccccc2)cc1-c1cccnc1)C(=O)Nc1ccc2c(c1)OCCO2 9583528 IGCVWSYPZVFKKJ-FYJGNVAPSA-N 463.497 4.310 50 10 JIGE O=C(NNC(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2cccs2)cc1)c1ccncc1 39852366 IGEMIRBRAYACAI-UHFFFAOYSA-N 457.437 4.089 50 10 JIGE Cc1ccc(C(=O)N/N=C/c2c(C)nn(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2C)cc1Cl 59146526 PNPCRMDKXXFRIE-LSHDLFTRSA-N 456.846 4.031 50 10 JIGE O=C(NN=C1C(=O)N(Cc2cccc([N+](=O)[O-])c2)c2ccccc21)c1cc2ccccc2cc1O 254384272 SDSZXOTXZSTSSE-UHFFFAOYSA-N 466.453 4.135 50 10 JIGE COc1ccc(C=NNC(=O)c2cc(-c3ccc(OCCc4ccccc4)cc3)n[nH]2)cc1OC 254607905 YAZSPXYQMFABGM-UHFFFAOYSA-N 470.529 4.479 50 10 JIGE C[C@@H]1CCN(S(=O)(=O)c2cc(Br)ccc2Br)[C@H]1CBr 299986535 WUWWOBMCNAMBQQ-KCJUWKMLSA-N 476.028 4.006 50 10 JIGE CN(C[C@H](Br)C1CC1)C(=O)c1cc(I)ccc1Br 690146142 NPLXTFMORBTZMB-LBPRGKRZSA-N 486.973 4.299 50 10 JIGE C[C@@H]1CN(S(=O)(=O)c2cc(Cl)c(Br)s2)C[C@@]1(C)CBr 694719048 ZPLBAXMMAAMJNE-RDDDGLTNSA-N 451.633 4.206 50 10 JIGE Cc1cc(/C=C(/C#N)C(=O)NC2CCN(C(=O)CC(F)(F)F)CC2)c(C)n1-c1ccccc1F 726947817 HEMVHBBTFJRIMV-PDGQHHTCSA-N 476.474 4.200 50 10 JIGE COc1cc(C=NNC(=O)c2ccc(Br)cc2)ccc1OCC(=O)Nc1ccccc1 1084289668 GUYWWBMSDNLHGA-UHFFFAOYSA-N 482.334 4.239 50 10 JIGE COc1ccccc1C(=O)N[C@H]1Cc2ccccc2C1=NNC(=O)Nc1ccc(OC(F)(F)F)cc1 1088687490 XIMKDAUMTHMTFG-FQEVSTJZSA-N 498.461 4.474 50 10 JIGE N#CSc1ccc(NC(=O)[C@H](NC(=O)Cc2ccc3c(c2)OCCO3)c2ccccc2)cc1 1866606603 MEHJSTRKSGEVED-XMMPIXPASA-N 459.527 4.070 50 10 JIGE CCc1ccc(-c2csc(/C(C#N)=C(\O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)cc1 1872744061 FXVLZZDDFYXKCW-MNDPQUGUSA-N 460.471 4.370 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C1CC1 1987797500 XBWPMHMOUXFGSH-IAGOWNOFSA-N 461.694 4.270 50 10 JIGE COCCCN(Cc1ccccc1)S(=O)(=O)c1cc(CBr)oc1Br 2009622075 NCIWFWLERFQXNA-UHFFFAOYSA-N 481.206 4.164 50 10 JIGE CC[C@@H](CBr)CNC(=O)c1ccc(Br)cc1I 2026219794 YSANEVPAEIWXNF-QMMMGPOBSA-N 474.962 4.205 50 10 JIGE FC1(F)CCN(c2ncc(I)cc2Br)CC[C@H]1Cl 2069532722 WXOAVMSRKFJFGN-SECBINFHSA-N 451.480 4.292 50 10 JIGE Cc1ccc(-n2nc(CBr)c(I)c2C(F)(F)F)c(F)n1 2078933346 XHJLFUOUAFDWNV-UHFFFAOYSA-N 463.998 4.233 50 10 JIGE O=S(=O)(N[C@@H]1CC[C@H](CBr)C1)c1cc(Br)ccc1Br 2090015095 RTHPASKTFRFZGZ-WCBMZHEXSA-N 476.028 4.054 50 10 JIGE O=C(NCc1c(Br)cccc1Br)N1CCC(Br)CC1 2105775393 ULKYEARNUYGOBJ-UHFFFAOYSA-N 454.988 4.281 50 10 JIGE O=C(c1cccc(I)c1)N(CCBr)Cc1cccs1 2114641030 OZGABHDHGRYLNI-UHFFFAOYSA-N 450.139 4.390 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCNCc1ccc(Br)c([N+](=O)[O-])c1 2125292900 IZHILSUVGCVIFO-UHFFFAOYSA-N 466.423 4.353 50 10 JIGE CC(C)(C)OC(=O)N1CCC(CI)(OC[C@@H]2C[C@@H]2C2CCOCC2)CC1 2135988517 DNWUDOPWKHPOJE-DLBZAZTESA-N 479.399 4.270 50 10 JIGE C[C@H]1CN(Cc2ccccc2)CCN(S(=O)(=O)c2ccc(CCl)c(Br)c2)C1 2144842337 UMTZQHJYMPPYFM-INIZCTEOSA-N 471.848 4.331 50 10 JIGE O=C(c1ccc(F)cc1I)N1C[C@@H]2CCC[C@@H](Br)[C@H]2C1 2150958667 OSSITVVCNBJPQK-TVYUQYBPSA-N 452.105 4.066 50 10 JIGE Cc1sc(CBr)cc1S(=O)(=O)N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 2179810270 CSJBWPQVEZEJJD-ZWKOTPCHSA-N 469.470 4.094 50 10 JIGE O=C(N[C@@H]1C(F)(F)C12CC(NC(=O)c1ccc(CBr)cc1)C2)OCc1ccccc1 2207128051 GNXPMHKDHWNJNR-BIXGBWIQSA-N 479.321 4.404 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N1CC(F)(F)C[C@@H]1CBr 2295314174 UYOULQSFPLBXQZ-LLVKDONJSA-N 475.953 4.385 50 10 JIGE COc1cc(OC)c([C@H](Cl)c2cnn(C)c2I)cc1Br 2295417978 AUXBUGWDUQJZCA-LBPRGKRZSA-N 471.520 4.133 50 10 JIGE CCCc1nn2c(=O)cc(COc3ccc(C=C(C#N)C(=O)Nc4ccc(F)cc4)cc3)nc2s1 2297350725 FZXVBFIFDFOEHK-UHFFFAOYSA-N 489.532 4.367 50 10 JIGE CCCOc1ccc(C=C(C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)cc1 2314737809 VWFKWNRTQNQUSB-UHFFFAOYSA-N 466.519 4.118 50 10 JIGE BrCc1ccc(Br)cc1OCc1ncc(I)cn1 2327893280 FSZMAFRDHSLKCC-UHFFFAOYSA-N 483.929 4.318 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1[C@H]2CC[C@@H]1C[C@H]2CBr 2330470318 VYJAUFPXNJKTOO-CWSCBRNRSA-N 498.984 4.442 50 10 JIGE CN(Cc1c(Br)c(Br)nn1C)c1ncc(Br)cc1CCl 2364341760 NXSYCBOJBPXDTM-UHFFFAOYSA-N 487.421 4.478 50 10 JIGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1ccc(Cl)cc1Cl 13980508 ISNVQUPREOCBAY-GFCCVEGCSA-N 454.379 4.221 50 10 JIGE CCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(C)c(Br)c2)cc1 14029780 OLFVTFHQSXPWIP-UHFFFAOYSA-N 478.412 4.276 50 10 JIGE CCc1ccc(OCC(=O)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)c(Br)c1 14031661 JERZPPXSIDMYPY-OAHLLOKOSA-N 471.351 4.158 50 10 JIGE C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=S)NC(=O)c1ccc(Cl)cc1Cl 14031708 IMSLLZSDDDWRDE-LBPRGKRZSA-N 462.358 4.250 50 10 JIGE O=C(/C=C\c1cccc2ccccc12)NC(=S)NNC(=O)COc1ccc2ccccc2c1 34983969 ZTLYKPOWXQBBBE-SQFISAMPSA-N 455.539 4.107 50 10 JIGE CCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc([N+](=O)[O-])cc1 38655012 PKQGAJVUWATILT-QHCPKHFHSA-N 457.442 4.431 50 10 JIGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(F)cc4)ccc32)c1OC 38658752 WUSMVGPMUDBLOM-DEOSSOPVSA-N 476.460 4.045 50 10 JIGE Cc1ccc(Sc2ncnc(NNC(=O)c3ccccc3Br)c2[N+](=O)[O-])cc1 40650310 MPCZOAOQDYUUSH-UHFFFAOYSA-N 460.313 4.364 50 10 JIGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 40869972 MXSWUKPUTQXXED-UDWIEESQSA-N 457.442 4.046 50 10 JIGE CCCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2cccc(C)c2C)cc1 100187343 XIIHCTLEVYMIKE-UHFFFAOYSA-N 471.623 4.367 50 10 JIGE COCCCN1C(=O)C(C#N)=C(C)/C(=C/c2ccc(OCc3ccc(C)cc3)c(OC)c2)C1=O 214294667 ZUUACVKMFNYATA-HMAPJEAMSA-N 460.530 4.211 50 10 JIGE CN(Cc1ccccc1)C(=O)COC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1 782093943 BQHFRUWIBLXENZ-STZFKDTASA-N 487.947 4.226 50 10 JIGE Cn1cc([C@H](Br)c2cc3c(cc2Br)OCCO3)nc1Br 829355649 YZKDJBTVVVRFGF-GFCCVEGCSA-N 466.955 4.201 50 10 JIGE COc1cc(C=NNC(=O)/C(=C\c2ccccc2)NC(=O)c2ccccc2)cc(Br)c1O 1082990471 UKHPCRGSSIKDQD-FAPBTAIQSA-N 494.345 4.085 50 10 JIGE CCOc1cc(/C=C\C(=O)NN)cc(Br)c1OC(=O)c1cccc2ccccc12 1084045682 YFRRIXIZBAZGDE-KHPPLWFESA-N 455.308 4.223 50 10 JIGE Cc1ccc(N(CC(=O)NN=Cc2ccccc2Cl)S(=O)(=O)c2ccccc2)cc1C 1084572297 XTXTWWSGPSOYSZ-UHFFFAOYSA-N 455.967 4.302 50 10 JIGE CC(=NNC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)c1ccc(F)cc1 1084632462 YFBHRXKIDLRUIH-UHFFFAOYSA-N 459.930 4.215 50 10 JIGE COC(=O)c1ccccc1N(C)C(=O)c1oc2c(c1C)C(=NNC(=O)c1ccccc1F)CCC2 1772744492 VUECCVFRFXVTND-UHFFFAOYSA-N 477.492 4.261 50 10 JIGE COC(=O)c1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(OC)cc2)CCC3)cc1 1772746186 SFIWZWWGVSZJNQ-UHFFFAOYSA-N 475.501 4.106 50 10 JIGE Cc1ccc(-c2ccc(C(=O)NNC(=O)c3ccccc3I)c(C)n2)cc1C 1865756203 LYRCMBVNCXJLKW-UHFFFAOYSA-N 485.325 4.353 50 10 JIGE CN(C[C@H]1C[C@@H](Br)C1)S(=O)(=O)c1ccc(Br)cc1Br 1887913055 XHZCDOBYRVMROH-WAAGHKOSSA-N 476.028 4.006 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@H]2CC[C@]2(CBr)C1 1903983250 JLLWPIZMFZUJDF-OTYXRUKQSA-N 498.984 4.301 50 10 JIGE CC(C)[C@H](Br)C(=O)NCCCONC(=O)OCC1c2ccccc2-c2ccccc21 1954646103 KKARNSGLXQUXBG-NRFANRHFSA-N 475.383 4.383 50 10 JIGE Brc1cc(I)cnc1N1CC[C@@H](Br)[C@H]1C1CC1 2015767322 ORBHBPDKKWHMMP-MWLCHTKSSA-N 471.962 4.201 50 10 JIGE C[C@H](Br)CCN(C)C(=O)c1ccc(Br)cc1I 2026219819 ZDSXKMRKGSPZCR-QMMMGPOBSA-N 474.962 4.299 50 10 JIGE CCOc1c(C(=O)CBr)ccc(I)c1OC(F)(F)F 2055052535 UMPCEXSABASASW-UHFFFAOYSA-N 452.992 4.166 50 10 JIGE FC(F)Oc1ccc(I)c(CBr)c1I 2060290711 CDTKPYLSXWBWHS-UHFFFAOYSA-N 488.835 4.392 50 10 JIGE CS(=O)(=O)C1(COc2c(Br)cc(Br)cc2CBr)CC1 2111592330 VEXYDXHWQGCVQW-UHFFFAOYSA-N 477.012 4.063 50 10 JIGE F[C@@]12CCC[C@]1(CCl)CN(c1ncc(I)cc1Br)C2 2133378312 NMOWPJINMGZJHH-QWHCGFSZSA-N 459.528 4.386 50 10 JIGE Clc1cc(CN2C[C@@H](CBr)OCC23CC3)ccc1I 2142944723 UJDQDPFGDCFOQR-LLVKDONJSA-N 456.549 4.073 50 10 JIGE CC(C)(C)OC(=O)NC[C@]1(C(F)(F)F)CCCN1C(=O)[C@@H](Br)C1CCCC1 2167034312 WBYXIIIKYSNNAD-GUYCJALGSA-N 457.331 4.388 50 10 JIGE C[C@@H]1CC[C@](CBr)(NS(=O)(=O)c2cc(Br)ccc2Br)C1 2194678643 INYAIPMMSRVWGH-RNCFNFMXSA-N 490.055 4.444 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CC[C@H](C(F)(F)CCl)C1 2197766533 QCTCOKGEHHGLDQ-QMMMGPOBSA-N 478.502 4.390 50 10 JIGE O=C(N[C@@H]1COC2(CCC2)[C@@H]1Br)c1cccc(Br)c1Br 2206469916 BZPNTVYATSKQRA-ZYHUDNBSSA-N 467.983 4.026 50 10 JIGE O=C(N1CCC[C@H]([C@H]2CCCCN2CCCCCI)C1)C(F)(F)F 2220214473 DGUCKFJXUPVSLF-LSDHHAIUSA-N 460.322 4.247 50 10 JIGE CCN(CC)c1ccc(C=NNC(=O)C(=Cc2cccc([N+](=O)[O-])c2)NC(=O)c2ccccc2)cc1 2297707748 HKPVKCDYYHQHQM-UHFFFAOYSA-N 485.544 4.362 50 10 JIGE C[C@H](Br)c1cnnn1Cc1ccc(I)c(Br)c1 2306249293 MXBXSNCXXFDLNZ-ZETCQYMHSA-N 470.934 4.149 50 10 JIGE CCOc1cc(C=C2C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1 2314618986 XUSKCHFTHMJOHZ-QFIPXVFZSA-N 472.541 4.436 50 10 JIGE COc1cc(OC)cc(C(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccccc3)cc2OC)c1 2314736994 FUWGNXFYQDQCOG-UHFFFAOYSA-N 472.497 4.155 50 10 JIGE CCCCOc1ccc(C=C(C#N)C(=O)Oc2ccc3cc(C(=O)NCC)c(=O)oc3c2)cc1 2314751212 WWKHYLZRYFULLD-UHFFFAOYSA-N 460.486 4.234 50 10 JIGE Cc1cc(O)ccc1NC(=O)C(C#N)=CN1CCN(C(c2ccccc2)c2ccccc2)CC1 2318469176 RUVSBDABOZRLFR-UHFFFAOYSA-N 452.558 4.454 50 10 JIGE CC[C@@H](NC(=O)C(C#N)=CN1CCN(C(=O)OC(C)(C)C)CC1)c1ccc2c(c1)CCCC2 2325092813 RYHGJEJVYAYSDJ-HSZRJFAPSA-N 452.599 4.093 50 10 JIGE ClC[C@@H]1CCC2(CN(Cc3ccc(I)c(Br)c3)C2)O1 2349850449 HPLHLVZVGXXPJY-NSHDSACASA-N 456.549 4.026 50 10 JIGE Clc1ccc(I)c(CN2CCCN(CCCBr)CC2)c1 2366597679 VDOVCNQHKBWKMW-UHFFFAOYSA-N 471.608 4.237 50 10 JIGE O=C(c1cccc(I)c1)N1CCC[C@H](Br)[C@H]1C(F)(F)F 2370243557 OKGWGPFDQKAWKJ-QWRGUYRKSA-N 462.047 4.222 50 10 JIGE COc1ccc(C=NNC(=O)c2cc(O)cc(O)c2)cc1CSc1nc(C)cc(C(F)F)n1 13322070 NMKCLIADKUMJMP-UHFFFAOYSA-N 474.489 4.199 50 10 JIGE N#C/C(=C/c1ccc(OCC(=O)N2CCN(c3ccccc3)CC2)cc1)c1nc2ccccc2[nH]1 33554529 WKCPDUIISXJQLC-PYCFMQQDSA-N 463.541 4.355 50 10 JIGE CCOCCCNC(=O)/C(C#N)=C\c1c(Oc2cc(C)ccc2C(C)C)nc2ccccn2c1=O 34688959 GQGWXKRTCVYREF-SILNSSARSA-N 474.561 4.368 50 10 JIGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)cc1OC 38658530 MUHOLUCQZPNTKT-SGANQWHYSA-N 490.487 4.434 50 10 JIGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1ccc(C)c([N+](=O)[O-])c1 40926333 KTEGAIMMMMUQEI-YBFXNURJSA-N 475.457 4.338 50 10 JIGE COC(=O)/C(C#N)=C/c1cccc(OC(=O)COc2ccc(Cl)cc2Br)c1 40944693 IXDVQENOINFFEN-NTUHNPAUSA-N 450.672 4.167 50 10 JIGE Cc1cc(/C=N/NC(=O)COc2cccc(N(C)C)c2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 59248676 VSIYSGRTXQTHJJ-LGJNPRDNSA-N 468.941 4.041 50 10 JIGE C/C(=N\NC(=O)CSc1nnc(CNc2ccccc2)n1-c1ccccc1)c1ccccc1O 59829627 XFRONFURTXDHQJ-OVVQPSECSA-N 472.574 4.218 50 10 JIGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(Br)s2)sc(C(=O)N(C)C)c1C 96438054 JRXUBJURIRNEIV-FLIBITNWSA-N 496.408 4.305 50 10 JIGE COc1ccccc1CCN/C=C(/C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216509801 LFICUQAADWKCBT-VYIQYICTSA-N 480.612 4.169 50 10 JIGE O=C(CCCC(=O)Nc1ccc(Br)cc1)NN=Cc1cc(Br)ccc1O 252599734 DKUMGMTYWFXJFA-UHFFFAOYSA-N 483.160 4.176 50 10 JIGE CCCOc1ccc(C=NNC(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)cc1OC 254396263 NAGXCWHCYZSYDH-UHFFFAOYSA-N 490.585 4.381 50 10 JIGE CCN(CC)c1ccc(C=NNC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)c(O)c1 254416393 YSNLSOKJIODIIL-HDZHGIMPSA-N 499.615 4.226 50 10 JIGE CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NN=Cc3ccc(-c4ccc(F)cc4)o3)CC2)cc1 254557575 HMIUGAHNRWJWHA-UHFFFAOYSA-N 499.564 4.035 50 10 JIGE C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)NN=Cc2ccc(Br)cc2)cc1 254722191 XSPUKAGVZKGBAR-IRXDYDNUSA-N 472.383 4.381 50 10 JIGE O=C(C1CC1)[C@H](Br)Cc1cc(I)ccc1Br 300892008 FYERKEUYOMLWEN-LLVKDONJSA-N 457.931 4.339 50 10 JIGE O=C(N[C@H](CBr)Cc1ccccc1)c1sccc1I 311816653 BXSBBRCYZXWSQV-NSHDSACASA-N 450.139 4.089 50 10 JIGE C[C@@H](CBr)[C@@H]1CCCCN1C(=O)c1cccc(F)c1I 721696408 FQPBMOGQQHQPPD-GWCFXTLKSA-N 454.121 4.456 50 10 JIGE CC1CCN(C(=O)[C@@H](C)OC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)CC1 782092041 BJGFNUTYVKZGIK-SQVRNEIYSA-N 479.968 4.214 50 10 JIGE C[C@H](OC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1)C(=O)NC1CCCCC1 782092289 DTMYSBRHHYYVRY-FJSNCCPHSA-N 479.968 4.405 50 10 JIGE O=C(NN=C1C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21)[C@H](O)c1ccccc1 1084012774 GDZBQSDVEUYIIH-OAQYLSRUSA-N 454.313 4.094 50 10 JIGE CC(=NNC(=O)COc1c(C)cc(Br)cc1Br)c1ccc(O)cc1 1084098931 HEGNWBDNUJCRAM-UHFFFAOYSA-N 456.134 4.145 50 10 JIGE COC(=O)c1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccccc1C)CCC2 1772743652 HYZLQUWDVOGFBD-UHFFFAOYSA-N 459.502 4.406 50 10 JIGE COCCCNC(=O)c1oc2c(c1C)C(=NNC(=O)Cc1coc3c(C)c(C)ccc13)CCC2 1772751475 CWTCOVWRVMFQFU-UHFFFAOYSA-N 465.550 4.117 50 10 JIGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)cc2)cc1O 1865682611 SUNDLIQTTMEZGN-MRXNPFEDSA-N 462.815 4.477 50 10 JIGE Cc1csc(CBr)c1S(=O)(=O)N1CCN(Cc2ccccc2)CC[C@@H]1C 1885142429 REFYDYLDDCPAGD-INIZCTEOSA-N 457.459 4.237 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1[C@H]2C[C@@H]3CN(C(=O)OC(C)(C)C)[C@H]1[C@H]3C2 2010827145 MRPMCUQLCDLRTL-RZFLPCETSA-N 473.705 4.126 50 10 JIGE O=C(Cl)c1cc(Br)c(I)c(I)c1 2059980316 IQWQZIAYIPEYLM-UHFFFAOYSA-N 471.257 4.037 50 10 JIGE CC[C@H](C)[C@H](CI)NC(=O)c1cccc(C)c1I 2081235448 GDRRAYXSQUNHEJ-CABZTGNLSA-N 471.120 4.179 50 10 JIGE O=C(N[C@@H]1CCC[C@@H]1CBr)c1ccc(Br)cc1I 2086147937 UPWMKMDIWOVJFF-PRHODGIISA-N 486.973 4.347 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CC[C@@H]2[C@H](CCl)[C@H]2C1 2093139767 GTWVVUMJUGXODO-USWWRNFRSA-N 454.533 4.001 50 10 JIGE O=S1(=O)CC[C@H]([C@H](CBr)Cc2c(Br)cccc2Br)C1 2094095450 MGHJFBCWZVTSJB-UWVGGRQHSA-N 475.040 4.200 50 10 JIGE Brc1cnc(N2CCC3(CC2)C[C@@H](Br)CO3)c(Br)c1 2116511466 UZDOJWIXVYRZCA-SNVBAGLBSA-N 454.988 4.129 50 10 JIGE CN(C(=O)c1cc(I)ccc1O)[C@H]1CCCCC[C@H]1Br 2172548174 RYXJENMWMATOQR-OLZOCXBDSA-N 452.130 4.165 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1C[C@@H](Br)CCC12CC2 2227504610 GPZCKEIGFNYVFD-VIFPVBQESA-N 454.533 4.477 50 10 JIGE C[C@@H]1C[C@@H](Br)[C@@H](C)N(S(=O)(=O)c2cc(Cl)c(Br)s2)C1 2227597155 DHJWWUOLYGJXJK-BWZBUEFSSA-N 451.633 4.347 50 10 JIGE COC(=O)c1cc(OC)c(OC)cc1NC=C(C#N)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 2295945935 YJNLZLPBNSYOBG-UHFFFAOYSA-N 466.475 4.499 50 10 JIGE CCCOc1ccccc1C=C(C#N)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)nc(C)n2)cc1 2314774004 NUHWLVCOCDRQMV-UHFFFAOYSA-N 491.573 4.229 50 10 JIGE CC[C@H](NC(=O)C(C#N)=CN1CCN(C(=O)OC(C)(C)C)CC1)c1ccc2c(c1)CCCC2 2325092814 RYHGJEJVYAYSDJ-QHCPKHFHSA-N 452.599 4.093 50 10 JIGE CO[C@@]1(CBr)CCN(Cc2ccc(I)c(Br)c2)C1 2325221371 FXMLMSDNACWQHY-CYBMUJFWSA-N 488.989 4.040 50 10 JIGE O=C(N[C@H]1C[C@@H](CBr)[C@@H]2C[C@H]12)c1cc(Br)ccc1I 2329870047 LEUOQXAPKXVTBC-PYSAPBNWSA-N 498.984 4.203 50 10 JIGE BrC[C@H]1CO[C@@H]2CN(Cc3c(Br)cccc3Br)C[C@@H]21 2330877894 URCMZECVNJKADT-IMSIIYSGSA-N 454.000 4.053 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1CC[C@@H]2[C@H](CBr)[C@H]2C1 2340060609 DZQRDRITVZCADN-USWWRNFRSA-N 454.533 4.048 50 10 JIGE Clc1ccc(CN2C[C@@H]3OCCC[C@@]3(CBr)C2)cc1I 2362376157 RIEKIDSDOWUQCO-LSDHHAIUSA-N 470.576 4.321 50 10 JIGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)Nc1ccc(Cl)cc1 12483774 YBZZKLPYUCVTGT-UHFFFAOYSA-N 491.567 4.405 50 10 JIGE C=CCOc1ccccc1C(=O)NNC(=O)COc1ccc(Br)cc1C(C)(C)C 14668272 ONTNPXOLMGOFTD-UHFFFAOYSA-N 461.356 4.151 50 10 JIGE CC(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)cc1 14669665 XHAFGFXKZPXZFQ-UHFFFAOYSA-N 496.361 4.104 50 10 JIGE Cc1cc(C)cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc([N+](=O)[O-])c2)c1 38653994 JOMHGBCFSFPZLI-RUZDIDTESA-N 471.469 4.414 50 10 JIGE COC(=O)c1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1cccc(C)c1)CCC2 40811370 YOMZJZNJONMMAA-VFCFBJKWSA-N 459.502 4.406 50 10 JIGE COc1ccc(OCCCC(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2)cc1 40935178 ZAFGRQAKQXUJJR-CAPFRKAQSA-N 460.486 4.276 50 10 JIGE CCCCCCOc1ccc(C(=O)NNC(=O)c2cccc(I)c2)cc1 100449621 FKCOAISKHFWBFD-UHFFFAOYSA-N 466.319 4.325 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CCC[C@H](Br)C1 232468042 FOCTUEIHVVPLIB-VIFPVBQESA-N 472.946 4.053 50 10 JIGE C[C@H]1CCN(C(=O)c2cc(I)ccc2Br)[C@H]1CBr 235630373 BUWRUNZXAHXSMU-UFBFGSQYSA-N 486.973 4.299 50 10 JIGE O=C(NNc1ccc(F)c(F)c1F)c1ccc(I)c(Br)c1 728715445 GSCNPUQAHRZDPO-UHFFFAOYSA-N 471.014 4.228 50 10 JIGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccccc2C(F)(F)F)Cc2ccccc2)cc1 1084179056 ROVOJJWBADZDAS-UHFFFAOYSA-N 489.519 4.355 50 10 JIGE Cc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)Nc3ccc4c(c3)OCCO4)c(C)c21 1772743529 DYMZNMYEALTMOI-UHFFFAOYSA-N 459.502 4.390 50 10 JIGE CN(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)cc1 1865683126 GNFPQCYXACCVLW-GOSISDBHSA-N 457.431 4.373 50 10 JIGE Cc1nn(Cc2ccccc2F)c2c1[C@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865697231 XYUFIMQETIYJJQ-LJQANCHMSA-N 455.287 4.065 50 10 JIGE Cc1nc(C)c(CC(=O)N[C@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)s1 1866573041 YFBFUYUAIRQNNH-HXUWFJFHSA-N 468.579 4.381 50 10 JIGE CC(C)(C)OC(=O)N[C@H](CBr)C[C@H]1N(C(=O)OC(C)(C)C)CC12CCOCC2 1893701214 SXVZBYONJQLMFP-LSDHHAIUSA-N 463.413 4.081 50 10 JIGE CC(C)(C)OC(=O)NCC1(NC(=O)CCCCBr)CCN(Cc2ccccc2)CC1 1987440684 BGMFYVAHILHWTC-UHFFFAOYSA-N 482.463 4.227 50 10 JIGE C[C@@H]1[C@H](CBr)CCN1c1ncc(I)cc1Br 1988531667 VXFJLPFVTKNSQC-SFYZADRCSA-N 459.951 4.058 50 10 JIGE C[C@@]1(CBr)CCN1C(=O)c1ccc(Br)cc1I 2026217889 NXZIDRYLPOMZOK-LBPRGKRZSA-N 472.946 4.053 50 10 JIGE CC(N)=C(C#N)C(=O)COC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 2053525563 ITSNLPONUJJUHN-UHFFFAOYSA-N 465.409 4.247 50 10 JIGE C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)N(S(=O)(=O)c2ccc(CBr)s2)C1 2123241178 FRYDAZMYBTYWJW-HZPDHXFCSA-N 457.459 4.174 50 10 JIGE Cc1cc(S(=O)(=O)N(C)C2CCN(Cc3ccccc3)CC2)sc1CBr 2123244434 WJAOTAZEHCTKNS-UHFFFAOYSA-N 457.459 4.237 50 10 JIGE CCCN1CC[C@H]([C@@H](Br)c2c(Br)cccc2Br)S1(=O)=O 2150502678 CYFAETUXUSUNEW-DGCLKSJQSA-N 490.055 4.462 50 10 JIGE Cc1cc(CBr)ccc1S(=O)(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 2179788483 COQLOMJMVUGXKO-GOSISDBHSA-N 451.430 4.175 50 10 JIGE O=C(c1cccc(F)c1I)N1[C@H](CBr)CCC12CCC2 2205759722 NERBNLDGNXAJIZ-JTQLQIEISA-N 452.105 4.353 50 10 JIGE O=C(c1sccc1I)N1C[C@H]2CCCC[C@]2(CBr)C1 2230614085 RRVSGKMWTQQHTE-YGRLFVJLSA-N 454.171 4.380 50 10 JIGE O=C(N[C@@H](CBr)C[C@H]1CCCO1)c1ccc(Cl)c(I)c1 2283661473 GVMMVBUXJLNPHH-GHMZBOCLSA-N 472.548 4.007 50 10 JIGE COc1ccc(C(C#N)=Cc2ccc(OC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)cc2)cc1OC 2320507342 QRMCJRLWSWWHLD-UHFFFAOYSA-N 492.553 4.237 50 10 JIGE C[C@@H](C(=O)NN=Cc1ccccc1Br)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 2325903253 LIBBNDKHCFWSFU-OLZOCXBDSA-N 473.396 4.057 50 10 JIGE COc1cc(C(=O)NCC(O)=C(C#N)c2nc(-c3ccccc3)cs2)cc(OC)c1OC 2331300948 CYSFLFLNCKFXAT-UHFFFAOYSA-N 451.504 4.059 50 10 JIGE C[C@H](CCCCCBr)NC(=O)c1c(Br)c(Br)nn1C 2338685447 ANSPHWQHZJKKNC-MRVPVSSYSA-N 460.008 4.019 50 10 JIGE COc1ccc(CC(=O)NNC(=O)c2ccc(SCc3ccc(C)cc3)c([N+](=O)[O-])c2)cc1 3020498 LFLFSNUFFINJQU-UHFFFAOYSA-N 465.531 4.208 50 10 JIGE N#C/C(=C\c1ccc2c(c1)OCO2)C(=O)OCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 3238532 WXFSXPILVDDTAX-LFYBBSHMSA-N 452.772 4.176 50 10 JIGE O=C(COc1ccc(Cl)cc1Br)NNC(=O)c1cc(Cl)cc(Cl)c1 10505077 ODBVLYUESPSOCZ-UHFFFAOYSA-N 452.519 4.249 50 10 JIGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 13980165 IWHWLYUERYAJQM-UHFFFAOYSA-N 465.937 4.358 50 10 JIGE Cc1ccc(C(=O)NNC(=O)c2cc(Br)ccc2OC(C)C)cc1Br 14668043 SBYIJJMLQUOFDW-UHFFFAOYSA-N 470.161 4.382 50 10 JIGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)cc4)ccc32)c1 38659743 FKFPCOJEMAJEMR-AREMUKBSSA-N 472.497 4.215 50 10 JIGE COC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2c(C)cc(Br)cc2C)c(OC)c1 40865303 CNNWRBJEEPUUNA-CXUHLZMHSA-N 474.307 4.139 50 10 JIGE N#C/C(C(=O)N1CCN(C(=O)C2CC2)CC1)=C1\SC=C(c2ccc(F)cc2)N1c1ccc(F)cc1 97634508 NTRYSWFGKFAWHD-XTCLZLMSSA-N 492.551 4.333 50 10 JIGE COc1cc(/C=N/NC(=O)c2ccc3[nH]c(-c4ccccc4O)nc3c2)cc(Cl)c1OC 169926408 JZWATSSRNBONKV-BRJLIKDPSA-N 450.882 4.370 50 10 JIGE O=C(NCC1(CCBr)CC1)c1cc(Br)ccc1I 232456123 JOLZKNLQTXALIY-UHFFFAOYSA-N 486.973 4.349 50 10 JIGE COc1cc(C=NNC(=O)C(=O)Nc2cccc3ccccc23)ccc1OC(=O)c1ccc(C)cc1 254825751 NEQFUKUAWCFGSU-UHFFFAOYSA-N 481.508 4.465 50 10 JIGE Cn1ncc([C@H](Cl)c2cc(Br)cc3c2OCC3)c1I 394364004 QYYICHQVGRTRSX-LLVKDONJSA-N 453.505 4.050 50 10 JIGE CN(C[C@H](Br)C1CC1)C(=O)c1cc(Br)ccc1I 690149340 YXTOGLYOGYHXMK-NSHDSACASA-N 486.973 4.299 50 10 JIGE C[C@@H]1CCN(C(=O)c2cc(Cl)ccc2I)C[C@@H]1CBr 704039241 JBNLZUBUGJBFIU-ZJUUUORDSA-N 456.549 4.438 50 10 JIGE N#CCCn1cc(/C=C(/C#N)C(=O)N2CCC([C@H](O)c3ccccc3)CC2)c(-c2ccccc2)n1 914536059 GNLZFHOMYJVNMH-UXAZKMGBSA-N 465.557 4.343 50 10 JIGE CC(=NNC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1O)[C@H]1C[C@@H]1c1ccccc1Cl 920372993 LZDAFTHHEMKDPT-NHCUHLMSSA-N 498.004 4.434 50 10 JIGE O=C(CSCc1ccc([N+](=O)[O-])cc1)NN=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 1084023644 OODFDFZTCFMCBY-UHFFFAOYSA-N 480.502 4.466 50 10 JIGE Cc1cc(C)cc(CSCC(=O)NN=Cc2ccc(OCC(=O)N3CCCCC3)cc2)c1 1084347296 UDUPNVOIZLUFLC-UHFFFAOYSA-N 453.608 4.078 50 10 JIGE Cc1cccc(C)c1NC(=O)COc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1F 1858682048 XINHUCKZYJTKFZ-UHFFFAOYSA-N 454.414 4.374 50 10 JIGE CCOC(=O)c1ccc2nc(NC(=O)/C(C#N)=C/c3ccc(OCCOC)cc3)sc2c1 1866215328 OPXYDUDFHIYGFY-SFQUDFHCSA-N 451.504 4.044 50 10 JIGE BrCc1cn(-c2cc(Br)c(Br)c(Br)c2)nn1 1938595841 GSOCWGQAGYUGKG-UHFFFAOYSA-N 474.776 4.450 50 10 JIGE CS(=O)(=O)C1([C@H](Br)c2sc(Br)cc2Br)CC1 1979972105 CCFANFNHHAZMSM-MRVPVSSYSA-N 453.015 4.286 50 10 JIGE COC[C@](C)(CCBr)NC(=O)c1scc(Br)c1Br 2040256645 MUBNKMGAZMNFJP-NSHDSACASA-N 464.017 4.193 50 10 JIGE Fc1c(CNCCOCCCI)ccc(Cl)c1Br 2047994211 BFHIODXUACPOND-UHFFFAOYSA-N 450.517 4.173 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@H]2[C@@H](Br)CC[C@H]2C1 2087938484 XNBLXAPSHSZVNU-AXFHLTTASA-N 498.984 4.299 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1C[C@H](C2CC2)[C@@H](Br)C1 2090687012 ZFDZJSLCJOEHJF-NEPJUHHUSA-N 454.533 4.190 50 10 JIGE O=C(NCC1(CBr)CCOCC1)c1csc(Br)c1Br 2093946498 BRHFPJBIYYPWQR-UHFFFAOYSA-N 476.028 4.195 50 10 JIGE CCN(CC)CCN(Cc1ccccc1)S(=O)(=O)c1cc(CCl)oc1Br 2095879063 HZGIJGZDOOPXFI-UHFFFAOYSA-N 463.825 4.314 50 10 JIGE C#CC[C@](C)(CCl)CNC(=O)c1cc(I)ccc1Br 2140724060 FTINAQJSLXXJNW-CQSZACIVSA-N 454.533 4.052 50 10 JIGE O=S(=O)(C[C@H](Cl)c1ccc(I)c(Br)c1)N1CCCCC1 2145643043 PHXRIIPBCACVAA-LBPRGKRZSA-N 492.604 4.149 50 10 JIGE O=S(=O)(NC[C@]1(F)C[C@H](CBr)C1)c1cc(Br)ccc1Br 2168692553 QHTZDMIDCGRIEN-ITWVYHRLSA-N 494.018 4.003 50 10 JIGE Cc1cc(CBr)ccc1S(=O)(=O)N(C)[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 2179774991 IYOWSXQQPWUNJO-YLJYHZDGSA-N 451.430 4.173 50 10 JIGE Cc1cc(S(=O)(=O)N2CCC(N(C)Cc3ccccc3)CC2)ccc1CBr 2179793529 VOPGLVUZQIDZSC-UHFFFAOYSA-N 451.430 4.175 50 10 JIGE C[C@H]1[C@@H](C)N(Cc2ccccc2)[C@H](C)CN1S(=O)(=O)c1ccccc1CBr 2179824312 TTZWGFWODOTKDO-KURKYZTESA-N 451.430 4.254 50 10 JIGE Clc1cc(CN2CCC3(CC2)C[C@H](Br)CO3)ccc1I 2208027535 AKRVNUILROBPIX-LBPRGKRZSA-N 470.576 4.463 50 10 JIGE CC(C)(C)OC(=O)NC[C@@H]1CN(CCCCI)C[C@@H]1c1ccccc1 2256398272 IBYMJOQNRXQBAJ-QZTJIDSGSA-N 458.384 4.442 50 10 JIGE CC1(C)OCCN(C(=O)c2csc(Br)c2Br)[C@@H]1CBr 2267686138 UZOKPZPUVVMSTP-MRVPVSSYSA-N 476.028 4.288 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1CCC[C@@](F)(CBr)C1 2268350380 ISFGDBBNNDACKT-CYBMUJFWSA-N 460.512 4.284 50 10 JIGE CCOC(=O)c1cc(C(C)C)sc1NC(=O)C(C#N)=Cc1cn(CC(N)=O)c2ccccc12 2295672659 KVFLZHHUXYHOFV-UHFFFAOYSA-N 464.547 4.034 50 10 JIGE CCOc1cc(C=NNC(=O)c2cccn(CC)c2=O)ccc1OCc1cccc(Cl)c1 2323626553 JBADCZJYUVWFLW-UHFFFAOYSA-N 453.926 4.263 50 10 JIGE COc1ccc(Br)cc1C=NNC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C 2328798599 UCAQVACSWDWQAN-SFHVURJKSA-N 476.371 4.044 50 10 JIGE N#CC(=Cc1cccc(Br)c1)C(=O)Nc1ccc(Br)cc1C(=O)O 2329696529 LNWLCKFOPHCIAN-UHFFFAOYSA-N 450.086 4.455 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@H]2CC[C@@H](Br)[C@H]2C1 2333350094 GMGWESAYXAKMFO-JFUSQASVSA-N 498.984 4.299 50 10 JIGE O=C(N[C@@H]1C[C@@H](CCl)[C@H]2C[C@H]21)c1ccc(Br)cc1I 2333351193 SXVYBBRSIGBBBJ-CTLRHGHPSA-N 454.533 4.047 50 10 JIGE O=S(=O)(c1cc(Cl)c(Br)s1)N1[C@H]2CCC[C@H]2C[C@@H]1CBr 2354699825 BYQUWCUXYHXSSY-XKSSXDPKSA-N 463.644 4.491 50 10 JIGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@@H]1CCCC[C@@H](Br)C1 2364213072 DOUTUSHDEKBZQK-QZTJIDSGSA-N 499.471 4.106 50 10 JIGE CC[C@H](Br)[C@@H]1CCCCN1C(=O)c1c(Br)c(Br)nn1C 2364230502 NKHMVBAFPUMEBG-IUCAKERBSA-N 472.019 4.113 50 10 JIGE CC(C)c1ccccc1OCC(=O)NNC(=O)COc1ccc(Br)cc1C(C)C 9231563 IUCLJNMRLKYSGR-UHFFFAOYSA-N 463.372 4.301 50 10 JIGE O=C(COc1ccc(-c2ccccc2)cc1)NNC(=S)NC(=O)c1cc(Cl)cc(Cl)c1 10506074 KXBFMBQUEUKNFS-UHFFFAOYSA-N 474.369 4.375 50 10 JIGE O=C(NNC(=S)NC(=O)c1sc2ccccc2c1Cl)c1ccc(Cl)c([N+](=O)[O-])c1 12502562 SLVUJICXNAEPPH-UHFFFAOYSA-N 469.331 4.066 50 10 JIGE C=CCOc1ccc(C(=O)NNC(=O)COc2ccc([C@@H](C)CC)cc2Br)cc1 14832335 OEZIJBPCJMXUND-HNNXBMFYSA-N 461.356 4.367 50 10 JIGE CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)Cc3ccc(OC)cc3)ccc21 38650571 KQEWPHYWEYOZQP-AREMUKBSSA-N 456.498 4.460 50 10 JIGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc32)c(OC)c1 38657237 ZYKIANZGFNOSBR-QHCPKHFHSA-N 473.441 4.049 50 10 JIGE O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](c1cccnc1)N1CCN2CCC[C@@H]2C1 140123242 QNOSCJDGJKVFJR-RTBURBONSA-N 487.448 4.084 50 10 JIGE in-vitro Cc1cccc(OCC(=O)NN=C2C(=O)N(CN3C[C@@]4(C)C[C@H]3CC(C)(C)C4)c3ccccc32)c1C 254597532 HQFYCYRPKPERLO-PBBNMVCDSA-N 488.632 4.407 50 10 JIGE CCN(CCOCCBr)C(=O)c1cc(Br)cc(Br)c1 311924184 HGGVOMHTOHPFBD-UHFFFAOYSA-N 457.988 4.085 50 10 JIGE COc1ccc(C(=O)CBr)c(OCc2ccccc2)c1I 398697709 VAMJESGZQMMZPR-UHFFFAOYSA-N 461.093 4.456 50 10 JIGE CCCC(=O)NC[C@@H]1CCCN(C(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)C1 726170762 AYTJXXBMTQBARQ-BJLUOBIUSA-N 493.011 4.179 50 10 JIGE CC(C)c1ccc([C@@H](NC(=O)NNC(=O)Cc2nc3ccccc3n2C)c2cccs2)cc1 916204770 BKGCLHPDBNFHMO-XMMPIXPASA-N 461.591 4.421 50 10 JIGE CC1=C(C(=O)NN=Cc2ccc(Cl)cc2)[C@H](c2ccc(Br)cc2)NC(=S)N1 1084512767 RXGXIVATRJFXBU-KRWDZBQOSA-N 463.788 4.046 50 10 JIGE O=C(/C=C\c1ccc(OC(F)F)cc1OC(F)F)NNC(=O)Cc1cccc2ccccc12 1087470351 QSTLZZXTSFJYBU-LUAWRHEFSA-N 462.399 4.446 50 10 JIGE C#Cc1ccc(NC(=O)NNC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)c(Cl)c1 1209898304 ULIRHOGPBXKWPY-UHFFFAOYSA-N 456.893 4.036 50 10 JIGE Cc1cccc(C(=O)NN=C2CCCc3oc(C(=O)N4CCN(c5ccccc5)CC4)c(C)c32)c1 1772744428 DGTZRVFRHGXZRR-UHFFFAOYSA-N 470.573 4.329 50 10 JIGE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1cc(OC)c(OC)cc1OC)C(C#N)=C(N)O2 1865712356 WJZZWRRNIPURCH-JOCHJYFZSA-N 480.952 4.391 50 10 JIGE CCOC(=O)c1c(NC(=O)CCCCl)sc(C(=O)OCCOc2ccccc2)c1C 1865986536 CFLRRDQZMRVOFN-UHFFFAOYSA-N 453.944 4.427 50 10 JIGE CC[C@@H](NC(=O)Cc1nc(-c2ccccc2OC)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866672096 DUIDVCXGNGDKMC-LJQANCHMSA-N 464.547 4.308 50 10 JIGE COCCn1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)c2cc(OC)ccc21 1873496181 IDBKRTDGJSAKRV-FSJBWODESA-N 454.577 4.148 50 10 JIGE CCN(CC)S(=O)(=O)C[C@H](Br)c1scc(Br)c1Br 2028940574 FARFNOBYEIGARZ-QMMMGPOBSA-N 484.073 4.381 50 10 JIGE CC1(C)CN(C(=O)c2ccc(I)c(Br)c2)[C@H]1CBr 2031680649 MVEWLEVRWNHIBL-NSHDSACASA-N 486.973 4.299 50 10 JIGE CCN1CC[C@@H]([C@H](Br)c2csc(Br)c2Br)S1(=O)=O 2032953592 MIKPPRNALXCDCY-JGVFFNPUSA-N 482.057 4.133 50 10 JIGE O=S(=O)(c1ccc(Cl)c(CBr)c1Cl)N(Cc1ccccc1)C1COC1 2059291031 GHRSXCCWZQGOMN-UHFFFAOYSA-N 465.196 4.478 50 10 JIGE C[C@@H]1CC[C@@H](Br)CN1C(=O)c1ccc(Br)cc1I 2086151560 PMBSBNXZBWQBDP-PSASIEDQSA-N 486.973 4.442 50 10 JIGE Cc1sc(CBr)cc1S(=O)(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 2123230503 RKUOBENCOQALGC-KRWDZBQOSA-N 457.459 4.237 50 10 JIGE O=C(c1cc(Br)c(Br)s1)N1CC[C@@]2(C[C@H](Br)CO2)C1 2137133414 RNXLTTGXQVKHFJ-JVXZTZIISA-N 474.012 4.042 50 10 JIGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CCC2(CC1)C[C@@H]2CBr 2148909828 MQKVAZRGFGLSHX-MRVPVSSYSA-N 463.644 4.350 50 10 JIGE O=S(=O)(NC[C@@]1(CBr)CC12CCC2)c1cc(Cl)c(Br)s1 2154193756 GWENXCUOVRCKNU-LBPRGKRZSA-N 463.644 4.398 50 10 JIGE O=S(=O)(c1cc(CCl)ccc1Br)N1C[C@H]2C[C@H]1CN(Cc1ccccc1)C2 2160683805 PVGCNVMIEJNIBX-ROUUACIJSA-N 469.832 4.083 50 10 JIGE O=C(c1ccc(F)cc1I)N1C[C@H](Br)CCC12CCC2 2174540269 MOVGIGXEQOYSSL-SNVBAGLBSA-N 452.105 4.353 50 10 JIGE O=C(c1cc(I)ccc1Br)N1[C@H]2CC[C@@H](Cl)[C@H]1CC2 2229875331 INLXBPIIFWLGSX-ZWKOPEQDSA-N 454.533 4.428 50 10 JIGE CN1CCC[C@H](CO[C@](C)(CI)c2ccccc2Br)C1 2236059111 AOMXHKJSMFTMPO-XJKSGUPXSA-N 452.174 4.458 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)NCCCCCI 2263488672 GPUBKZMMTSMVCW-UHFFFAOYSA-N 488.989 4.476 50 10 JIGE O=C(N[C@]1(CBr)C[C@H]2CC[C@H]1C2)c1c(F)cccc1I 2283927407 AFJMSRXHQRHIBK-YHAQOWFVSA-N 452.105 4.114 50 10 JIGE CC(C)(CI)CN1CCC([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 2306814564 CWUQEKOBTVNLKT-INIZCTEOSA-N 450.405 4.417 50 10 JIGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)C=Cc3ccc(Cl)cc3)cc2)c1 2313864578 VGKJCQKRRQBCQF-UHFFFAOYSA-N 492.988 4.250 50 10 JIGE Cc1ccc(O)c(NC=C(C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 2324605337 KTPOVXGXYWDVEK-UHFFFAOYSA-N 452.558 4.454 50 10 JIGE CN(C[C@H]1C[C@H](Br)C1)C1(C(=O)O)CCC(C)(NC(=O)OCc2ccccc2)CC1 2346173875 FMMBSVLNQCOJSA-CJRKGXOXSA-N 467.404 4.174 50 10 JIGE C[C@@H](Br)CCCc1cn(-c2cc(F)c(F)cc2I)nn1 2379833381 SZSLSPWHYFSUTA-MRVPVSSYSA-N 456.072 4.256 50 10 JIGE Cc1ccccc1C(=O)NNC(=S)NC(=O)c1cc(Br)ccc1OCCC(C)C 14651220 CLWXVAKQCSFCJR-UHFFFAOYSA-N 478.412 4.132 50 10 JIGE C/C(=N\NC(=O)c1cccc(OC(F)(F)C(F)F)c1)c1cccc(NC(=O)c2ccnn2C)c1 20159169 RPDLBCDSZNRDGX-VFLNYLIXSA-N 477.418 4.063 50 10 JIGE Cc1c(C(=O)Nc2nccs2)oc2c1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 40823269 LPQMHBSKVTWOKY-FLUNURKVSA-N 486.369 4.286 50 10 JIGE CCOc1cc(/C=C2\C(=O)N(CCCOC)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1 214293942 WGTXZLLZQVZPBW-JCMHNJIXSA-N 460.530 4.293 50 10 JIGE COc1ccc(NC(=O)/C(C#N)=C\Nc2ccc(I)cc2)cc1Cl 217141570 FYCIAUTYEUZLCR-KHPPLWFESA-N 453.667 4.411 50 10 JIGE COc1cc(C=NNC(=O)c2cc(-c3ccccc3OCc3ccc(C)cc3)n[nH]2)ccc1O 254698855 GGDOSPWCRNHWEE-UHFFFAOYSA-N 456.502 4.442 50 10 JIGE C[C@@H]1CCN(C(=O)c2cc(I)ccc2Br)C[C@H]1CCl 700415215 MFCDDORKOJHQLA-NXEZZACHSA-N 456.549 4.391 50 10 JIGE C[C@@H]1CCN(C(=O)c2ccc(I)c(Br)c2)[C@@H]1CBr 721614071 NRAIRZABZIFKRK-PRHODGIISA-N 486.973 4.299 50 10 JIGE O=C(NC[C@@H]1CCCO1)[C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725237324 DCXAIHGNNXNNOY-MAUKXSAKSA-N 460.905 4.375 50 10 JIGE COc1ccc([N+](=O)[O-])c([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)c1 725437859 MMMJMAOVZRHPQC-QAPCUYQASA-N 496.301 4.391 50 10 JIGE C#CCOc1c(Cl)cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1Br 1084048175 CLXALPWSIQUEHI-FQEVSTJZSA-N 493.785 4.477 50 10 JIGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1cc(OC)c(OC)c(OC)c1)C(C#N)=C(N)O2 1865691995 GZQQHFPPCYBLIZ-QFIPXVFZSA-N 476.533 4.077 50 10 JIGE CSCC[C@H](NC(=O)c1n[nH]c(C)c1-c1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1867280022 FLURMUYXJUVOJJ-IBGZPJMESA-N 465.604 4.449 50 10 JIGE O=C(Cl)c1cc(I)c(C(F)(F)F)cc1I 2060053161 TUTOYNULQFULJM-UHFFFAOYSA-N 460.358 4.294 50 10 JIGE FC1(F)CCN(c2ncc(I)cc2Br)C[C@H]1CBr 2069529695 SCCPTIFCFHISBI-SSDOTTSWSA-N 495.931 4.305 50 10 JIGE COc1ccc(O)c(-n2nc(CBr)c(I)c2C(F)(F)F)c1 2079256740 FPTLSYCMVGVECW-UHFFFAOYSA-N 477.018 4.105 50 10 JIGE O=C(N[C@@H]1C[C@H]2C[C@H]1C[C@@H]2Cl)c1cc(I)ccc1Br 2104402232 KVAKKPHNUJHYBG-BOOASOPXSA-N 454.533 4.189 50 10 JIGE C[C@@]12CN(C(=O)c3cc(Br)ccc3I)C[C@@]1(CCl)C2 2109180927 CNUCASWLUGDQSA-KGLIPLIRSA-N 454.533 4.145 50 10 JIGE O=C(NC[C@H](Br)CC(F)(F)F)c1ccc(I)c(Cl)c1 2119065867 IZQCXWDECQLANI-SSDOTTSWSA-N 470.454 4.390 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1[C@H](CCl)[C@H]2CC[C@@H]1C2 2122173716 OXYNDPOLPYIBDH-IYYTYJHQSA-N 454.533 4.286 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@H]2CC(Cl)C[C@@H]2C1 2128655720 XZPPXKQXDHCWHM-NXEZZACHSA-N 454.533 4.143 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CC[C@H](Br)[C@@H]1C1CC1 2130611533 LWNFCKHARBUCLG-STQMWFEESA-N 498.984 4.442 50 10 JIGE C#CC[C@@](C)(CBr)CNC(=O)c1cc(Cl)ccc1I 2140715800 VMMVLLGWECFJOW-AWEZNQCLSA-N 454.533 4.099 50 10 JIGE CC(C)(C)OC(=O)N[C@H](C[S@@](C)(=O)=NC(=O)N1CCC(Br)CC1)C(C)(C)C 2162868423 PXSGJIWJIFWGDW-LOKFHWFJSA-N 468.458 4.003 50 10 JIGE CN(C[C@H]1C[C@H]1Br)C(=O)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229117485 ZZPLLDTYAOMQEG-BMFZPTHFSA-N 490.236 4.127 50 10 JIGE Cc1ccc(C(=O)N(C)[C@H](CCBr)C(F)(F)F)cc1I 2232836339 GEJOGLHBWLENER-LLVKDONJSA-N 464.063 4.388 50 10 JIGE CC1(C)CC[C@@H](CBr)N(C(=O)c2c(F)cccc2I)C1 2282793097 XCUSEYZBOCYTKQ-JTQLQIEISA-N 454.121 4.456 50 10 JIGE C[C@H](Br)COCc1cn(Cc2cccc(Br)c2Br)nn1 2295803396 ZIGPJGYAPSMQKZ-VIFPVBQESA-N 467.987 4.151 50 10 JIGE O=C(CCCCCN1C(=O)C(=CC=Cc2ccccc2)SC1=S)NNC(=O)c1ccccc1O 2296882318 OPGZOGRCWFHDQU-UHFFFAOYSA-N 495.626 4.171 50 10 JIGE Brc1cc(CN2C[C@H](Br)C3(CC3)C2)ccc1I 2306223560 GZLJHUXLUIGUSK-LBPRGKRZSA-N 470.974 4.413 50 10 JIGE O=C(NN=C1C(=O)N(Cc2ccccc2Cl)c2ccccc21)c1cncc(Br)c1 2326841518 SEEBXDRBXWZOIU-UHFFFAOYSA-N 469.726 4.178 50 10 JIGE Cc1sc2nc(/C(C#N)=C/c3ccc(Sc4nccn4C)c([N+](=O)[O-])c3)[nH]c(=O)c2c1C 9612535 BJTZJLGGJMDONE-RIYZIHGNSA-N 464.532 4.459 50 10 JIGE Cc1cc(Br)cc(C)c1O[C@@H](C)C(=O)NNC(=O)COc1cccc2ccccc12 14643264 WAZRACFHXODJLL-INIZCTEOSA-N 471.351 4.213 50 10 JIGE COc1ccc(C=NNC(=O)CNc2c(Br)cc(Cl)cc2Br)cc1 15134279 ZKQFEORZDNBXGC-UHFFFAOYSA-N 475.568 4.436 50 10 JIGE CN(C)S(=O)(=O)c1ccc(C(=O)Oc2ccc(/C=C(/C#N)c3ccccc3F)cc2)cc1 31901630 NYVNNRMUCLXUSQ-CYVLTUHYSA-N 450.491 4.359 50 10 JIGE N#C/C(=C1\Nc2ccccc2S1)c1ccnc(OCc2ccc(CN3CCOCC3)cc2)n1 33999630 LRRWTQBREKZHNX-GFMRDNFCSA-N 457.559 4.298 50 10 JIGE COc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(OC)cc3)nc3ccccn3c2=O)cc1 34700774 HKYKDZDLWLQBAE-ICFOKQHNSA-N 468.469 4.050 50 10 JIGE CC(=O)Nc1ccc(Nc2ncnc(NNC(=O)c3ccc(Cl)cc3Cl)c2[N+](=O)[O-])cc1 40658804 JCJKZJVDNLFSOE-UHFFFAOYSA-N 476.280 4.151 50 10 JIGE CCOc1c(Br)cc(/C=N/NC(=O)COc2ccc(Cl)cc2C)cc1OC 40911834 WDBAERYOKQMBHG-LSHDLFTRSA-N 455.736 4.347 50 10 JIGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OS(=O)(=O)c1ccccc1 83293397 VCSXFOZVNYZCCD-QNGOZBTKSA-N 462.527 4.076 50 10 JIGE COc1ccc(CCNC(=O)/C(C#N)=C\c2ccc(OC(=O)c3ccccc3)c(OC)c2)cc1OC 98063453 UCVKJYYTMQSLSL-JCMHNJIXSA-N 486.524 4.197 50 10 JIGE CCCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2cc(C)cc(C)c2)cc1 100154355 LEDDXOFHLWTVAO-UHFFFAOYSA-N 471.623 4.367 50 10 JIGE C=CCOc1ccc(/C=C2/C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1OC 101305660 IBSGYJXHHNBRAH-PXLXIMEGSA-N 458.514 4.104 50 10 JIGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CCC[C@@H](CCBr)C1 125985677 CZPHMURJYTUTMX-QMMMGPOBSA-N 451.633 4.350 50 10 JIGE CC(C)[C@@H](CBr)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 136671330 ILOXYOSKOLQLMZ-SNVBAGLBSA-N 454.011 4.454 50 10 JIGE O=C(NCCCCCCI)c1ccc(I)cc1 236149034 OQYXCPCUOIUWAH-UHFFFAOYSA-N 457.093 4.016 50 10 JIGE COc1ccc(C=NNC(=O)c2ccn(Cc3ccc(Cl)cc3Cl)n2)c(OC)c1OC 252635042 WTVBZPMZSBEURV-UHFFFAOYSA-N 463.321 4.028 50 10 JIGE C=CCOc1ccc(C(=O)NN=Cc2ccc(OC(=O)c3ccc(OC)c(OC)c3)cc2)cc1 254500853 LUTBTVFBFUAPMC-UHFFFAOYSA-N 460.486 4.252 50 10 JIGE COc1ccc(CC(=NNC(=O)c2cc(C)oc2C)c2ccc(OC)c(OC)c2)cc1OC 254822792 MLWAQFCIBUVGFR-UHFFFAOYSA-N 452.507 4.308 50 10 JIGE CCOC(=O)c1ccc(-n2c(C)cc(C=NNC(=O)CSc3ccc([N+](=O)[O-])cc3)c2C)cc1 254843827 RAEPZTFGNUDROS-UHFFFAOYSA-N 480.546 4.421 50 10 JIGE Cn1ncc([C@@H](Cl)c2cc(I)cc3c2OCC3)c1Br 379218209 RHFANLBMHVSVNP-NSHDSACASA-N 453.505 4.050 50 10 JIGE C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)C1CCN(c2nc3ccccc3s2)CC1 727364949 IHIUYRIQWYKWBA-QGZVFWFLSA-N 474.586 4.281 50 10 JIGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)Cn1cnc2scc(-c3cccs3)c2c1=O 746182363 LMDNFOXNCKALCS-UHFFFAOYSA-N 453.501 4.429 50 10 JIGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)N[C@@H](C)c2oc3ccccc3c2C)cc1 920850429 AFUNGZRVXUAGIB-OFBHVFLISA-N 497.555 4.273 50 10 JIGE COc1ccc(C=NNC(=O)CSc2nnc(CCc3ccccc3)n2-c2ccccc2)cc1 1084073727 XAXDLPUXAIFJRJ-UHFFFAOYSA-N 471.586 4.304 50 10 JIGE COc1ccc(C=NNC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)c(OC)c1 1084389323 NQBXBXPCDVFGAC-UHFFFAOYSA-N 495.601 4.173 50 10 JIGE CC(=O)N(C)c1ccc(NC(=O)NNC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1 1476074263 UJSGFWREAYWHQZ-UHFFFAOYSA-N 453.502 4.351 50 10 JIGE COc1ccc([C@@H]2CN(Cc3ccccc3)C[C@@H]2CI)cc1[N+](=O)[O-] 1614615272 PCLFPGMXFXLCRF-IRXDYDNUSA-N 452.292 4.254 50 10 JIGE CCCCN1C(=O)C(=NNC(=O)COc2ccc(Cl)cc2Cl)c2cc(OC)ccc21 1772720538 PBHYSJIFCFESEI-UHFFFAOYSA-N 450.322 4.048 50 10 JIGE CCOC(=O)NN=C1CCCc2oc(C(=O)Nc3ccc(I)cc3)c(C)c21 1772750894 BSAAYYNCUUOYOT-UHFFFAOYSA-N 481.290 4.231 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2F)[C@@H]1c1cccc([N+](=O)[O-])c1 1865706389 VNRSHCXZWMBKKY-MRXNPFEDSA-N 459.359 4.216 50 10 JIGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1cc(OC)c(OC)cc1OC)C(C#N)=C(N)O2 1865710548 BLMYPOCZKVUDHH-HSZRJFAPSA-N 478.524 4.267 50 10 JIGE Cc1oc(-c2cccc(Br)c2)nc1CC(=O)NCC(=O)Nc1ccc(SC#N)cc1 1868160582 GESUABPEIZBNDN-UHFFFAOYSA-N 485.363 4.283 50 10 JIGE O=S1(=O)CC([C@@H](Br)c2c(Br)sc(Br)c2Cl)C1 1923073980 FGFAUEJJDZTSLH-RXMQYKEDSA-N 473.433 4.407 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@H](Br)CC2(CC2)C1 1926030150 OEGNMKNPSRTTMN-SECBINFHSA-N 498.984 4.443 50 10 JIGE CN(C[C@H]1C[C@@H](Br)C1)c1ncc(I)cc1Br 1991502581 LQWKKXAKNYAXGK-OCAPTIKFSA-N 459.951 4.058 50 10 JIGE CN1CCC[C@H]([C@H](Br)c2cc(Br)sc2Br)S1(=O)=O 2029051042 CWHPFJWMJSDZHQ-VXNVDRBHSA-N 482.057 4.133 50 10 JIGE O=C(CCl)c1cc(I)c(C(F)(F)F)c(I)c1 2060041118 YFUXQODZRAVFEQ-UHFFFAOYSA-N 474.385 4.336 50 10 JIGE CC[C@H]1CN(C(=O)c2ccc(Br)cc2I)C[C@@H]1Br 2086151527 OXAVNRXHANESCR-KWQFWETISA-N 486.973 4.299 50 10 JIGE CC[C@H](C)[C@H](CI)NS(=O)(=O)c1ccc(Cl)c(Br)c1 2136493086 YEAQUPUUJMCDCV-UFBFGSQYSA-N 480.593 4.231 50 10 JIGE C[C@H]1CCN(S(=O)(=O)c2ccc(CBr)cc2F)CCN1Cc1ccccc1 2179788464 CHPVIMNZODJFHR-INIZCTEOSA-N 455.393 4.006 50 10 JIGE CC(C)(C)[C@H]1[C@@H](Br)CCN1C(=O)c1cc(I)ccc1F 2185105322 BPECWGAQZVCVTE-WCQYABFASA-N 454.121 4.454 50 10 JIGE C[C@H](Cl)[C@H](NS(=O)(=O)c1cc(Br)ccc1Br)C(F)(F)F 2195319133 STLVLYYUCXPUIV-CDUCUWFYSA-N 459.509 4.048 50 10 JIGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CCN(C(=O)[C@H](Cl)c2ccccc2)CC1 2227921494 QHUBFBCJMVMUKW-LJQANCHMSA-N 482.021 4.283 50 10 JIGE O=C(c1sccc1I)N1C[C@@H]2CCCC[C@@]2(CBr)C1 2230614072 RRVSGKMWTQQHTE-IINYFYTJSA-N 454.171 4.380 50 10 JIGE Cc1ccc(C(=O)N2CCC(F)(F)[C@@H](CBr)C2)cc1I 2232831987 WCRVSEAGSCIPKT-NSHDSACASA-N 458.084 4.092 50 10 JIGE CC(C)(C)OC(=O)N1C[C@H](I)[C@H](OC[C@@H]2CC(F)(F)C23CCC3)C1 2247329384 PGTXZORWMOMPHN-RWMBFGLXSA-N 457.299 4.251 50 10 JIGE O=S1(=O)C[C@H]2C([C@H](Cl)c3c(F)cc(Br)c(F)c3Br)[C@@H]2C1 2288347958 ZZIJYMFDIXFEAQ-NWWTUURKSA-N 450.526 4.060 50 10 JIGE BrC[C@@H]1[C@H]2C[C@H]2CN1Cc1ccc(I)c(Br)c1 2306217384 PEMJBRACIQDOSF-OUJBWJOFSA-N 470.974 4.269 50 10 JIGE O=C(NCCSCCCBr)c1ccc(Cl)cc1I 2317776068 ZTZDCLCHMTYDKM-UHFFFAOYSA-N 462.578 4.193 50 10 JIGE CC1(C)CO[C@@H](CBr)CN1Cc1cc(I)ccc1Cl 2352426783 XIPWDLSETJRFGT-LBPRGKRZSA-N 458.565 4.319 50 10 JIGE FC(F)(F)c1cnc(N2C[C@H]3CC[C@H]2[C@@H](Br)C3)c(I)c1 2377528243 XKPKDWCVOZCPOG-ARENWVFISA-N 461.063 4.457 50 10 JIGE COc1ccc([C@H]2C(C#N)=C3N=C(N)c4ccccc4N3C3=C2C(=O)CC(C)(C)C3)cc1OC 3654514 OLZGHXBKWFQSMT-QHCPKHFHSA-N 454.530 4.405 50 10 JIGE CCOc1cc(C(=O)N/N=C2\C(=O)N(CCC(C)C)c3ccccc32)cc(OCC)c1OCC 6233945 FRQQVSPPQPDFJH-VYIQYICTSA-N 467.566 4.410 50 10 JIGE CC(C)CCOc1cccc(C(=O)NC(=S)NNC(=O)COc2ccccc2-c2ccccc2)c1 14644856 HQAAELPEGZJYOA-UHFFFAOYSA-N 491.613 4.493 50 10 JIGE COc1cc(/C=N/NC(=O)CCC(=O)Nc2ccc(Br)cc2)ccc1OC(C)C 20549987 YJHGJXDVSYIHHW-YDZHTSKRSA-N 462.344 4.114 50 10 JIGE Cc1ccc2nc(Nc3ncnc(NNC(=O)c4ccc(Cl)cc4)c3[N+](=O)[O-])sc2c1 40650503 UBTHLVAFSFQGDA-UHFFFAOYSA-N 455.887 4.457 50 10 JIGE COC(=O)c1ccc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(C)cc2)CCC3)cc1 40804551 DWZQUZQZFBMPAG-NHFJDJAPSA-N 460.486 4.373 50 10 JIGE CCOC(=O)/C(C#N)=C\c1c(Oc2ccc(Br)cc2)nc2c(C)cccn2c1=O 102847343 UFZGZGBVQSSCRO-KAMYIIQDSA-N 454.280 4.028 50 10 JIGE C[C@@H](Br)CCN(C)S(=O)(=O)c1cc(Br)ccc1Br 135769742 WURSLBOBHLVKOT-MRVPVSSYSA-N 464.017 4.006 50 10 JIGE Fc1cc2c(cc1I)nc(CCCl)n2C[C@@H]1CSCCS1 229629137 VOGMNSINPPXREN-SECBINFHSA-N 456.777 4.410 50 10 JIGE O=C(N[C@@H]1CCC[C@@H]1Br)c1cc(I)ccc1Br 232464951 ZADMPSYWNDBWHV-WDEREUQCSA-N 472.946 4.100 50 10 JIGE CC(CC(=O)Nc1cccc(Cl)c1C)=NNC(=O)COc1ccc(Br)cc1 254521314 INOPDTOYUJWYEY-UHFFFAOYSA-N 452.736 4.311 50 10 JIGE O=S1(=O)CCC(Oc2c(Br)cc(CBr)cc2Br)CC1 689892470 AMVPQHDIKXCIPG-UHFFFAOYSA-N 477.012 4.063 50 10 JIGE COc1ccc([N+](=O)[O-])c([C@H]2CN(Cc3ccccc3)C[C@@H]2CI)c1 1614637451 HPJJYBFPLOVUAL-YJBOKZPZSA-N 452.292 4.254 50 10 JIGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc(Cl)cc3C)cc2)cc1OC 1772720580 RQHDULNSLAGIOH-UHFFFAOYSA-N 482.920 4.414 50 10 JIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)c(Cl)c2)cc(OC)c1O 1865714775 PWURARCCCDGNHX-HXUWFJFHSA-N 487.343 4.488 50 10 JIGE COc1cc(/C=N\NC(=O)c2sc(-c3cnccn3)nc2C)ccc1OCc1ccccc1 1865761813 WGKZMIOLKAEAHK-WKIKZPBSSA-N 459.531 4.260 50 10 JIGE N#C/C(=C(/O)CN1C(=O)COc2ccc(Cl)cc21)c1nc(-c2ccc3c(c2)OCO3)cs1 1872752653 MXLBKHKGHAYCDD-VKAVYKQESA-N 467.890 4.410 50 10 JIGE C[C@@H]1CN(Cc2ccccc2)CCN1S(=O)(=O)c1ccc(CBr)cc1Cl 1885142482 SJKLYTRSKIFZDL-OAHLLOKOSA-N 457.821 4.130 50 10 JIGE C[C@H]1CCN(c2ncc(I)cc2Br)C[C@@H]1Br 1988539944 RMDSHMNRXZZMPD-XVKPBYJWSA-N 459.951 4.058 50 10 JIGE CC1(C)C[C@@H](Br)CN1C(=O)c1cc(I)ccc1Br 2037330117 YQPGPVGACGZSDV-MRVPVSSYSA-N 486.973 4.442 50 10 JIGE O=C(CCl)c1c(OC(F)(F)F)ccc(I)c1I 2060035712 PJGYEXAEAAVDLY-UHFFFAOYSA-N 490.384 4.216 50 10 JIGE COc1cc(CNCCSSCCNC(=O)OC(C)(C)C)ccc1Br 2072061116 MHJCJZBQSDEQAN-UHFFFAOYSA-N 451.452 4.453 50 10 JIGE COc1cc(-n2nc(CBr)c(I)c2C(F)(F)F)cc(C)n1 2078916810 YKZHSSPGBSDCGK-UHFFFAOYSA-N 476.034 4.103 50 10 JIGE Clc1nc(N2CC[C@H](N3CCN(Cc4ccccc4)CC3)C2)sc1CBr 2099099656 YWMVAFHSIHIVNF-INIZCTEOSA-N 455.853 4.088 50 10 JIGE C[C@@H]1CN(C(=O)c2cc(I)ccc2Br)CC[C@H]1CCl 2109040198 RRJAYFAVLVJVDN-ZJUUUORDSA-N 456.549 4.391 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CC[C@@H](Cl)CC12CC2 2113589982 UMOOYCVQFSDWSP-SNVBAGLBSA-N 454.533 4.430 50 10 JIGE O=S(=O)(N(CCC(F)(F)F)Cc1ccccc1)N1CCC[C@@H](CCBr)C1 2123362782 JUDOZFDUTLSKFY-INIZCTEOSA-N 457.356 4.183 50 10 JIGE CCCCOCCOCCO[C@@](C)(CI)CN(CC)C(=O)OC(C)(C)C 2124821991 CKMRHTVFZNITLA-IBGZPJMESA-N 487.419 4.287 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@@H]2C[C@H](C[C@H]2Br)C1 2163569104 RFDATURUJJAHDC-VDDIYKPWSA-N 488.039 4.006 50 10 JIGE Cc1oc(C)c(S(=O)(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)c1CBr 2179789076 LNIBJAVYLDRXEQ-OAHLLOKOSA-N 455.418 4.076 50 10 JIGE Cc1ccc(C(=O)N[C@H](CCBr)C(F)(F)F)cc1I 2224615811 HRPHIOJLGJKYJZ-SNVBAGLBSA-N 450.036 4.045 50 10 JIGE O=C(CCCNC(=O)OCC1c2ccccc2-c2ccccc21)N[C@H]1C[C@H](Br)C1 2242400304 BJEDSHFKKZFJEU-WKILWMFISA-N 457.368 4.347 50 10 JIGE CC(C)(C)OC(=O)N1CCC(CI)(OC2(c3ccccc3)COC2)CC1 2272884756 NJCJNTRUDKGFKZ-UHFFFAOYSA-N 473.351 4.133 50 10 JIGE COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=CC=Cc2ccc(C)o2)cc1OC 2296653202 RQOFSNIXQBGOEC-UHFFFAOYSA-N 459.502 4.192 50 10 JIGE C=CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)c([N+](=O)[O-])c2)C(C)=C(C#N)C1=O 2314617217 TUZYUBQBLAGPFZ-UHFFFAOYSA-N 495.495 4.234 50 10 JIGE N#CC(=Cc1ccccc1)C(=O)Nc1nc2ccc(S(=O)(=O)NC3CCCCC3)cc2s1 2320933902 SMBRHJABXJSQIZ-UHFFFAOYSA-N 466.588 4.453 50 10 JIGE CC(C)(CI)CN1C[C@@H](NC(=O)OC(C)(C)C)[C@@H](c2ccccc2)C1 2326668568 VPGFJKRGCITPIY-IAGOWNOFSA-N 458.384 4.440 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@H]2CC[C@H]1C[C@@H]2Cl 2337071287 PTHKKMIKCMIASP-DVYJOKAKSA-N 454.533 4.286 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N[C@H]1C[C@@H](CBr)[C@@H]2C[C@H]12 2360163732 NKVIBSJFVSTMHP-HBEIAFGSSA-N 466.011 4.290 50 10 JIGE Cn1nc(Br)c(Br)c1C(=O)N[C@@H]1CCCC[C@H]1CCBr 2364229623 ZGXJVDZPDDOICI-DTWKUNHWSA-N 472.019 4.019 50 10 JIGE Cn1nc(Br)c(Br)c1C(=O)N[C@]1(CBr)CCCC1(C)C 2364231292 XIUVJFYTJMYMSS-ZDUSSCGKSA-N 472.019 4.019 50 10 JIGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)c2cccc(OCCOc3ccccc3)c2)cc1 14040937 HXIIHCLFEBCJEG-HXUWFJFHSA-N 462.546 4.498 50 10 JIGE COc1ccc(N2C(=O)/C(=C/NNC(=O)C34CC5CC(CC(C5)C3)C4)c3ccccc3C2=O)cc1 38189046 DPUACPHHBRNBBJ-LFVJCYFKSA-N 471.557 4.060 50 10 JIGE O=C(CN1CCCC1)N/N=C/c1nc(-c2ccccc2Cl)c2cc(Br)ccc2n1 39899602 YWJWFSLNFUNHRJ-WYMPLXKRSA-N 472.774 4.259 50 10 JIGE CC(C)Oc1c(Br)cc(/C=N\NC(=O)c2ccc(N)cc2)cc1Br 169900325 QULRYCTVZDPBSJ-NKVSQWTQSA-N 455.150 4.345 50 10 JIGE COCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)CCc2ccc(C(C)C)cc2)c(OC)c1 207164306 RQTYEKCASGLCIZ-JCMHNJIXSA-N 450.535 4.026 50 10 JIGE O=S(=O)(NC[C@H]1CCC[C@@H](Br)C1)c1cc(Br)ccc1Br 227805256 OGMYPZWDTSUOOM-VHSXEESVSA-N 490.055 4.444 50 10 JIGE CCCCOc1ccc(C(=O)NCC(=O)NN=Cc2ccc(OC(=O)/C=C\c3ccccc3)cc2)cc1 254616944 XPLSSXDMCWJDHK-HJRQKSPLSA-N 499.567 4.364 50 10 JIGE COc1cc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)ccc1N 382684889 HIQKASOLVNDVSV-SJORKVTESA-N 466.319 4.065 50 10 JIGE O=C(CCl)c1cc(I)c(I)cc1Br 575686393 NCGDIBCXPZOWQV-UHFFFAOYSA-N 485.284 4.080 50 10 JIGE CCCC(=O)NC[C@H]1CCCN(C(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)C1 726170764 AYTJXXBMTQBARQ-KNGGAZFVSA-N 493.011 4.179 50 10 JIGE COc1cc(C=NNC(=O)CCCSc2nc3ccc([N+](=O)[O-])cc3s2)cc(OC)c1OC 1084577351 WASWXWRKFKQSTB-UHFFFAOYSA-N 490.563 4.253 50 10 JIGE O=S(=O)(NNC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(CCl)o1 1615949848 RCERNOFSZGDVGT-UHFFFAOYSA-N 481.827 4.236 50 10 JIGE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=S)Nc1ccc(CCCC)cc1 1628636037 XFBSXAPUKOOAMV-KRWDZBQOSA-N 455.024 4.383 50 10 JIGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@@H](c2cccnc2)C(C#N)=C(N)O3)cc1 1865700337 QGEHZLYONXDHQY-QFIPXVFZSA-N 453.477 4.359 50 10 JIGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)NNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1865759237 PKTNFINJIBMXCG-UHFFFAOYSA-N 490.259 4.255 50 10 JIGE Cc1nc(C)c(CC(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)s1 1866571245 VWVDFYQMEWPCBG-FQEVSTJZSA-N 450.589 4.242 50 10 JIGE COc1ccc(-c2csc(/C(C#N)=C(\O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)c(C)c1C 1872754207 IHVSADAFMICOOC-MNDPQUGUSA-N 490.497 4.433 50 10 JIGE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(-c2ccc(C(=O)O)cc2)o1 1873793635 UKTWRFMPSULPER-WTFDWONZSA-N 477.517 4.231 50 10 JIGE O=C(NC[C@@H]1CCC2(CCC2)[C@H]1Br)c1csc(I)c1 1924789451 IOHJJYYDNUNCCD-CABZTGNLSA-N 454.171 4.426 50 10 JIGE CCN1CC[C@H]([C@H](Br)c2scc(Br)c2Br)S1(=O)=O 2029068653 OLPVRMOQZLUYIW-APPZFPTMSA-N 482.057 4.133 50 10 JIGE Cc1sc(C)c(S(=O)(=O)N[C@H](CBr)CC(C)(F)F)c1Br 2169538617 VQRXWBOCQWYLPL-QMMMGPOBSA-N 455.184 4.215 50 10 JIGE C[C@@H](NC(=O)c1cc(Br)ccc1Br)c1nnc(CBr)s1 2192614969 FVAHOKUDAOAVPO-ZCFIWIBFSA-N 484.011 4.449 50 10 JIGE CC(C)(C)OC(=O)N1CCC(CI)(O[C@H]2CC[C@@H]3[C@H]2C3(F)F)CC1 2298193094 IHZWZLLZTRZNOV-FRRDWIJNSA-N 457.299 4.251 50 10 JIGE COc1cccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(F)cc3)nc3c(C)cccn3c2=O)c1 2314533579 SASSQWQLCFDZEJ-UHFFFAOYSA-N 470.460 4.489 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1[C@H]2CC[C@@H]1[C@@H](CBr)C2 2354259627 CAXQSOFIGJUFPQ-UBHAPETDSA-N 488.039 4.148 50 10 JIGE CCCCOc1ccc(Br)cc1C(=O)NNC(=O)[C@@H](C)Oc1ccc(C)c(C)c1 10153199 UNSKFZIMTCINHQ-MRXNPFEDSA-N 463.372 4.473 50 10 JIGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)Cc2ccc(Cl)cc2)c(Br)c1 14832330 PKCKZYZLFBHECE-CYBMUJFWSA-N 453.764 4.385 50 10 JIGE COc1cc(/C=C(/C#N)c2ccccc2F)ccc1OC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O 31901771 ROZNATPLMQZAFG-CQUHBBLWSA-N 470.456 4.489 50 10 JIGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)cc1OC 38658528 MUHOLUCQZPNTKT-ODCWNRFASA-N 490.487 4.434 50 10 JIGE CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@H]3COc4ccccc4O3)ccc21 38687433 DCFQEBGSWAOPGP-JWQCQUIFSA-N 470.481 4.049 50 10 JIGE N#C/C(=C\c1ccc(OC(=O)COc2ccccc2Br)cc1)C(=O)NCc1ccco1 40934625 XTRKSFISXGLHIB-SFQUDFHCSA-N 481.302 4.250 50 10 JIGE COc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OC(=O)c2ccccc2)cc1 59500450 NKMYUYWOODJDSK-OYKKKHCWSA-N 453.292 4.441 50 10 JIGE O=C(CI)Nc1c(Br)cc(Br)cc1Br 96835672 IGIBCARXBRMKEF-UHFFFAOYSA-N 497.750 4.348 50 10 JIGE COCCCOCCO[C@](C)(CI)c1ccccc1Br 232220608 ZXSLWKICAMOIDY-OAHLLOKOSA-N 457.146 4.169 50 10 JIGE COc1ccc(-n2c(SCC(=O)NN=Cc3c[nH]c4ccccc34)nc3ccccc3c2=O)cc1 254383355 UCPDITSFUPLGNY-UHFFFAOYSA-N 483.553 4.118 50 10 JIGE O=C(COc1cccc(Br)c1)NN=Cc1ccc(OC(=O)/C=C\c2ccco2)cc1 254875218 RGJXDABYYHMJKU-RACXCZOESA-N 469.291 4.190 50 10 JIGE CSCC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NNc1ccc(F)c(F)c1F 727759529 CBNBDQMXYDHGNZ-CQSZACIVSA-N 466.312 4.406 50 10 JIGE COc1cc2ccccc2cc1C(=O)NN=Cc1c(C)nn(-c2ccc([N+](=O)[O-])cc2OC)c1C 1084301780 WYRQBANIPOQGRV-UHFFFAOYSA-N 473.489 4.332 50 10 JIGE C#Cc1cccc(NC(=O)CNC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)c1 1125221721 IMIBYDMTJGETNO-FYJGNVAPSA-N 456.933 4.391 50 10 JIGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(OCC3CCCCC3)cc2)cc1 1667932074 MEVMURVZGJCZQS-GOSISDBHSA-N 453.539 4.469 50 10 JIGE CCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1cc(Cl)c(O)c(OC)c1)C(C#N)=C(N)O2 1865706958 JXKZJUZOVAJQJG-IBGZPJMESA-N 452.898 4.029 50 10 JIGE CCc1ccc(-c2ccc(C(=O)NNC(=O)[C@@H]3CC(=O)N(c4c(C)cccc4CC)C3)c(C)n2)cc1 1865758475 CHOAZNUWPOVWNM-HSZRJFAPSA-N 484.600 4.304 50 10 JIGE Brc1cc(I)cnc1N1C[C@@H]2CC[C@@H](Br)[C@H]2C1 2015764429 ARNWROMHMPTSEN-UJNFCWOMSA-N 471.962 4.058 50 10 JIGE O=C(c1c(Br)cccc1Br)N1C[C@@H]2CC[C@H](Br)[C@H]2C1 2094095671 OQARVWIASPOVDG-GUBZILKMSA-N 451.984 4.457 50 10 JIGE O=C(N[C@@H](CBr)c1cccs1)c1cccc(F)c1I 2119045957 RLIURAREGJKSHZ-JTQLQIEISA-N 454.102 4.358 50 10 JIGE C=C(Br)CN(C)S(=O)(=O)c1cc(CBr)cc(C)c1Br 2123254285 KMTPDBRRFKHCHV-UHFFFAOYSA-N 476.028 4.182 50 10 JIGE CC1(C)[C@@H](CBr)OCCN1Cc1ccc(I)c(Cl)c1 2142946134 ZDGUXZIGNKFZFV-CYBMUJFWSA-N 458.565 4.319 50 10 JIGE C[C@H]1CN(C(=O)c2cc(I)ccc2F)CC[C@H]1CCBr 2172461870 ASSKEQITGFIGFC-WDEREUQCSA-N 454.121 4.314 50 10 JIGE CN(Cc1ccccc1)[C@H]1CCCN(S(=O)(=O)c2cc(CBr)ccc2F)C1 2179786346 ZKJJKHDXZWWABA-SFHVURJKSA-N 455.393 4.006 50 10 JIGE COCCOCCN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(CBr)c1 2179786980 IFPILDFFWMKXCI-UHFFFAOYSA-N 476.820 4.089 50 10 JIGE O=C(NCC1(CCl)CC(F)(F)C1)c1ccc(I)c(Br)c1 2281663712 PHIZXKXPHIAWAZ-UHFFFAOYSA-N 478.502 4.438 50 10 JIGE O=C(c1c(F)cccc1I)N1CC[C@H](CBr)C12CCC2 2282788275 ZSTAAHFMIVPKBY-SNVBAGLBSA-N 452.105 4.210 50 10 JIGE CCN1CCC[C@H]([C@H](Br)c2ccc(Cl)c(I)c2)S1(=O)=O 2283565347 CGMIFEOTXLHIKO-CHWSQXEVSA-N 492.604 4.195 50 10 JIGE COC(=O)C(C#N)=Cc1cccc(OC(=O)C=Cc2cc(Br)c(OC)c(OC)c2)c1 2314770621 NCYXDEGLWDJRKY-UHFFFAOYSA-N 472.291 4.165 50 10 JIGE O=C(N[C@@H]1C[C@@H]2C[C@H]1C[C@H]2Br)c1cc(Cl)ccc1I 2330898844 BREUYECUIWEGBU-HTLPYRINSA-N 454.533 4.236 50 10 JIGE C[C@H]1CCC[C@@](CBr)(NS(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2364194808 JUWICQJMMCUDGA-HTAPYJJXSA-N 499.471 4.106 50 10 JIGE Cn1ncc([C@H](Cl)c2cc3c(cc2Br)OCCC3)c1I 2369630738 CGMKUHVCSQXPLC-CYBMUJFWSA-N 467.532 4.440 50 10 JIGE CC(C)CCOc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2OCCC(C)C)cc1 14034501 AXMLPAACVMSBHP-UHFFFAOYSA-N 471.623 4.486 50 10 JIGE COc1ccc(Br)cc1/C=N/NC(=O)c1nc(Cl)c(Cl)c(N)c1Cl 20885221 MVMVBZRHFTYBKD-DENHBWNVSA-N 452.523 4.159 50 10 JIGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)cc1 38683728 FYNGOQRTYIOGOA-DEOSSOPVSA-N 490.899 4.329 50 10 JIGE Cc1c(C(=O)NCc2ccc3c(c2)OCO3)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1)CCC2 40811620 OOSGVLPACAOPQA-MTDXEUNCSA-N 479.920 4.371 50 10 JIGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(OCC)c(OC)cc2Br)cc1 58895017 ZYQKXYYHUORQLJ-QCYAWUEASA-N 479.371 4.219 50 10 JIGE COc1ccc2nc(NC(=O)[C@@H]3[C@@H](C(=O)OC(CCl)CCl)[C@H]4C=C[C@H]3C4)sc2c1 104663445 KIBVESCOHZYYRQ-BHWMQLMCSA-N 455.363 4.071 50 10 JIGE CCCOc1ccccc1/C=C(/C#N)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)nc(C)n2)cc1 206984662 NUHWLVCOCDRQMV-HKWRFOASSA-N 491.573 4.229 50 10 JIGE COc1cc(OC)c(OC)cc1C=NNC(=O)c1ccn(Cc2ccc(Cl)cc2Cl)n1 252604123 FWTVJUDENCOVHV-UHFFFAOYSA-N 463.321 4.028 50 10 JIGE C=CCc1cccc(C=NNC(=O)[C@@H](C)Sc2nnc(CNc3cccc(Cl)c3)n2C)c1O 252629105 TYOHDCWGUUVZSF-OAHLLOKOSA-N 485.013 4.146 50 10 JIGE COc1ccc(OC)c(C=NNC(=O)CSc2nnc(SCc3ccccc3)s2)c1 254288001 QSRORKJILKUYNN-UHFFFAOYSA-N 460.606 4.090 50 10 JIGE C[C@](C=O)(Cc1ccc2c(c1)OCO2)N(NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 381849683 XECPGFSOYAYHCF-HHHXNRCGSA-N 490.512 4.396 50 10 JIGE CC[C@H]1CN(S(=O)(=O)c2cc(Br)c(C)cc2Br)C[C@@H]1Br 399894156 ZOWMGAIFMDOAGY-CABZTGNLSA-N 490.055 4.314 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1CCC(F)(F)[C@@H](CBr)C1 403957995 JBUBBRIEQBJTBF-QMMMGPOBSA-N 478.502 4.437 50 10 JIGE CC(C)c1ccc(C=NNC(=O)C2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1 1084358266 GFDFLUWDSIWNNF-UHFFFAOYSA-N 492.439 4.124 50 10 JIGE COc1ccc(C(=O)N[C@@H]2Cc3ccccc3C2=NNC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 1088689648 YIKHCQODOKOOSY-OAQYLSRUSA-N 498.461 4.474 50 10 JIGE C/C(=C\C(=O)NNC(=S)Nc1cccc(Br)c1)c1ccccc1OC(F)F 1135964502 CXVZJILXWFUESL-PKNBQFBNSA-N 456.312 4.472 50 10 JIGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)NNC(C)(C)C)c(C)c43)coc2c1 1772752114 ZNXAATXFELZUIV-UHFFFAOYSA-N 464.566 4.383 50 10 JIGE COc1cc(C=NNC(=O)COc2cc(C)c(Cl)c(C)c2)cc(Br)c1OC 1772753717 DXVDYGPRFKSAPW-UHFFFAOYSA-N 455.736 4.266 50 10 JIGE CCCc1nn(CCC)c2c1[C@H](c1cc(Br)c(O)c(OCC)c1)C(C#N)=C(N)O2 1865688535 UNKJNMXMTGDKLC-QGZVFWFLSA-N 461.360 4.331 50 10 JIGE N#CSc1ccc(NC(=O)[C@H](NC(=O)CCc2ncc3ccccn23)c2ccccc2)cc1 1866897588 WADAEXYZYASVNP-XMMPIXPASA-N 455.543 4.336 50 10 JIGE O=C(NC1CC([C@H](F)CCl)C1)c1cc(Br)ccc1I 1906548618 JUDLMCJOPPJGPK-LKXRVVKTSA-N 460.512 4.139 50 10 JIGE CCN([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(CCl)c(Br)c1 1915020855 YDVQRIRGHXYMAN-SFHVURJKSA-N 471.848 4.473 50 10 JIGE CN(C[C@H](Br)COCc1ccccc1)C(=O)c1cc(O)cc(Br)c1 1916368892 DBAPNQNVRYOQQW-INIZCTEOSA-N 457.162 4.207 50 10 JIGE O=C(Nc1cc(I)ccc1Br)[C@H]1C[C@@H](Br)C1 1991420128 QJCUHZUCTPCCJN-KNVOCYPGSA-N 458.919 4.166 50 10 JIGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)Cc1ccc(O)c(Br)c1 2050362822 SPEGNPJEGBJTRU-MRXNPFEDSA-N 471.189 4.136 50 10 JIGE O=C(NC[C@H](CBr)C(F)(F)F)c1cc(Cl)ccc1I 2105272503 XZFOWKNRJKRVRX-LURJTMIESA-N 470.454 4.248 50 10 JIGE O=S(=O)(N[C@H]1CC[C@H](Br)C1)c1c(Cl)cc(Br)cc1Cl 2121472506 FCZWKBKKKYAUGQ-XPUUQOCRSA-N 451.995 4.350 50 10 JIGE CN(C)C[C@H]1C[C@H](Br)CN1Cc1c(Br)cccc1Br 2122367597 HNJOJHFSJNINNO-WDEREUQCSA-N 455.032 4.111 50 10 JIGE C[C@@H]1CCCN(C(=O)c2cc(I)ccc2F)[C@H]1CCBr 2169668791 UKDWSXWGUXWRGU-YGRLFVJLSA-N 454.121 4.456 50 10 JIGE ClCc1nc2ccc(Br)cc2n1CCn1cnc(I)c1 2237144792 WXOGQEJEBRNKNS-UHFFFAOYSA-N 465.520 4.039 50 10 JIGE C[C@H]1CN(C(=O)c2ccc(Cl)c(I)c2)C[C@]1(C)CBr 2268346136 PEXFIJFGQUSUOJ-XPTSAGLGSA-N 456.549 4.438 50 10 JIGE BrC[C@@]12CCO[C@H]1CN(Cc1ccc(Br)cc1Br)C2 2278943583 CJRGBBYNVQIZNR-UONOGXRCSA-N 454.000 4.197 50 10 JIGE Cc1ccc(CNC(=O)C(C#N)=C2NC(=NC(=O)c3ccccc3Cl)c3ccccc32)cc1 2296226390 GGBRAROTTYKWKB-UHFFFAOYSA-N 454.917 4.390 50 10 JIGE Brc1cc(CN2C[C@H]3C[C@@H](Br)[C@H]2C3)ccc1I 2306229557 WYLGGRSKIHUKPS-UFGOTCBOSA-N 470.974 4.411 50 10 JIGE COc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(Cl)c(C)c1 2314737515 QQDZZDWANCGPDW-UHFFFAOYSA-N 480.904 4.458 50 10 JIGE CCCOc1cccc(C=NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1 2325903192 DOQLJAWHXRHABK-JKSUJKDBSA-N 452.580 4.083 50 10 JIGE CCOC(=O)c1cnn(-c2ccccc2F)c1NC(=O)C(C#N)=Cc1cccc(Br)c1 2329699609 JNENKDJDTCWHQW-UHFFFAOYSA-N 483.297 4.496 50 10 JIGE O=C(N[C@H]1C[C@@H](CBr)[C@@H]2C[C@H]12)c1cc(I)ccc1Br 2329870918 JXTMBRHTQWVJSN-PYSAPBNWSA-N 498.984 4.203 50 10 JIGE COc1cc(OC)cc([C@H](C)O[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2I)c1 2339730311 JFFKZCGWODOANS-JCURWCKSSA-N 477.339 4.204 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1C[C@H]2C[C@H](Br)C[C@H]2C1 2340056570 GERMKDVQYPHHIK-MYJAWHEDSA-N 454.533 4.190 50 10 JIGE Clc1ccc(CN2CC3(CC[C@@H](CBr)O3)C2)c(I)c1 2341047812 ICDPVSIBXRUTEK-LBPRGKRZSA-N 456.549 4.073 50 10 JIGE CC(C)c1ccc(OCC(=O)NNC(=O)COc2ccc(C(C)C)cc2Br)cc1 12580289 YPNACZSGBPJFEJ-UHFFFAOYSA-N 463.372 4.301 50 10 JIGE COc1cc(Cl)ccc1C(=O)NNC(=O)[C@H](CC(C)C)NC(=O)c1ccc(Cl)cc1Cl 24627486 PCBCZVRRCAZPKY-KRWDZBQOSA-N 486.783 4.261 50 10 JIGE CCOC(=O)c1ccc(Nc2ncnc(NNC(=O)c3ccc(Cl)cc3Cl)c2N)cc1 40761857 SMORSCHHWWEHTB-UHFFFAOYSA-N 461.309 4.043 50 10 JIGE CCCCCCCC(=O)NNC(=O)COc1ccc(Br)cc1Br 100169976 OXLQHKVNDAMRJB-UHFFFAOYSA-N 450.171 4.098 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)NC[C@H]2CC[C@H](Br)C2)cc1Br 227790389 ONNYGGCAADIEET-UWVGGRQHSA-N 490.055 4.362 50 10 JIGE COc1ccc(C(=O)Nc2ccccc2C(=O)NN=Cc2ccc(Br)cc2)cc1 252635923 XBYKPEYATOQKBC-UHFFFAOYSA-N 452.308 4.474 50 10 JIGE COc1cc(C=NNC(=O)CNc2ccc(C)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 254797760 GWMRZLFNRFONOX-UHFFFAOYSA-N 479.449 4.175 50 10 JIGE CC[C@H](Br)c1cn(-c2cc(Br)ccc2I)nn1 304187367 FKBOSXLACRTHKL-QMMMGPOBSA-N 470.934 4.480 50 10 JIGE Cc1cc(CCl)cc(S(=O)(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)c1Br 312778311 AHNQXEURXQGIDH-SFHVURJKSA-N 471.848 4.391 50 10 JIGE CC[C@H](Br)[C@@H](C)NS(=O)(=O)c1cc(Br)ccc1Br 387358060 GWZMDUVHEFRCGZ-APPZFPTMSA-N 464.017 4.052 50 10 JIGE COc1ccc(CNC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)cc1OC 817996364 ANGOVAYYKZCNFX-CPNJWEJPSA-N 475.936 4.358 50 10 JIGE Cc1cc(C=NNC(=O)CN(c2ccccc2)S(C)(=O)=O)c(C)n1-c1ccccc1C(F)(F)F 1084124410 GAFXMGXEGVPFTD-UHFFFAOYSA-N 492.523 4.029 50 10 JIGE O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NN=Cc1ccccn1 1084321706 BNTVRGLUTQVMPG-UHFFFAOYSA-N 496.898 4.099 50 10 JIGE O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)NN=Cc1ccc(Cl)c(Cl)c1 1084379628 OTJKACZMKWHKDU-UHFFFAOYSA-N 480.348 4.478 50 10 JIGE C/C(=C/C(=O)NNC(=O)CCCCCNC(=O)OC(C)(C)C)c1ccc(C(F)(F)F)cc1 1633085899 SOFYPGUYUASGAZ-PFONDFGASA-N 457.493 4.341 50 10 JIGE CCOc1ccccc1NC(=O)COc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1 1858681091 XGCUODSZRRUNGU-UHFFFAOYSA-N 452.423 4.017 50 10 JIGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@@H](c2ccncc2)C(C#N)=C(N)O3)cc1 1865702327 SQOUJEDFMOADHX-QFIPXVFZSA-N 453.477 4.359 50 10 JIGE N#C/C(=C\c1cccc(Br)c1)C(=O)Nc1ccc(I)cc1C(=O)O 1866131060 WRSRUEIFBPROEV-IZZDOVSWSA-N 497.086 4.298 50 10 JIGE CC(C)(C)OC(=O)N1CCN(CCCCCBr)CCN1C(=O)OC(C)(C)C 1954683704 XGVSQZKFPDDCJM-UHFFFAOYSA-N 450.418 4.256 50 10 JIGE CN1CCC[C@H]([C@H](Br)c2cc(Br)c(Br)s2)S1(=O)=O 2029051697 GGYRSWJJGFRMEI-RKDXNWHRSA-N 482.057 4.133 50 10 JIGE CC(N)=C(C#N)C(=O)COC(=O)c1cc(-c2cccc(Br)c2)nc2ccccc12 2040422220 PSCDFTXFXXANJX-UHFFFAOYSA-N 450.292 4.146 50 10 JIGE COc1ccccc1N=c1[nH]nc(SCC(=O)C(C#N)=C2Sc3ccccc3N2C)s1 2053622117 MNNSZWKAMXCQMY-UHFFFAOYSA-N 467.601 4.351 50 10 JIGE O=C(CCl)c1c(C(F)(F)F)ccc(I)c1I 2060044375 IDXWGMKBCUAYHN-UHFFFAOYSA-N 474.385 4.336 50 10 JIGE CCc1cc(I)cc(C(=O)CBr)c1I 2060146446 QUWAAXVLQTUOIF-UHFFFAOYSA-N 478.893 4.036 50 10 JIGE O=C(CBr)c1cc(OC(F)(F)F)cc(OC(F)F)c1I 2060367267 FSIJWJLAWQEZCV-UHFFFAOYSA-N 474.945 4.369 50 10 JIGE C[C@@H](Cl)CCc1cn(-c2cc(I)cc(I)c2)nn1 2068992527 ZIEWYBMURYOAGS-MRVPVSSYSA-N 487.510 4.036 50 10 JIGE O=C(c1ccc(Br)cc1Br)N1CC[C@@H]2[C@H](CBr)[C@H]2C1 2093138562 VHECNMIJPMENGK-USWWRNFRSA-N 451.984 4.315 50 10 JIGE CC[C@@H]1CN(C(=O)c2cc(Br)ccc2I)C[C@H]1CCl 2140770185 YZPYNJNYRVPQOD-NXEZZACHSA-N 456.549 4.391 50 10 JIGE CC(C)(C)OC(=O)N1C[C@H](CNC(=O)[C@@H](Br)C2CCCC2)[C@@H](C(F)(F)F)C1 2167035280 XIPIFMRUXCYBHN-IHRRRGAJSA-N 457.331 4.102 50 10 JIGE CC1(C)CO[C@H](CBr)CN1C(=O)c1cc(Br)ccc1Br 2167530485 DHXPLSKZTGFEDD-SNVBAGLBSA-N 469.999 4.226 50 10 JIGE O=S(=O)(c1cc(CBr)cs1)N1CCC[C@]2(CCN(Cc3ccccc3)C2)C1 2179820442 YBYYNVPYZHAMJW-HXUWFJFHSA-N 469.470 4.320 50 10 JIGE CN([C@@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]21)S(=O)(=O)CCC(F)(F)CBr 2190547567 NFOOVCKMYNKBNI-WNRNVDISSA-N 466.388 4.052 50 10 JIGE CN(CCN(Cc1ccccc1)S(=O)(=O)CC1(CBr)CC1)Cc1ccccc1 2242234582 QQSJCMRMHJLCPA-UHFFFAOYSA-N 465.457 4.126 50 10 JIGE C[C@@H]1[C@@H](CBr)CCN1C(=O)Cc1cc(Br)cc(Br)c1 2277915805 LZYZTWXEHHOICN-MWLCHTKSSA-N 454.000 4.386 50 10 JIGE COC(=O)c1ccccc1NC(=O)C(C#N)=Cc1ccc(OC(=O)c2ccccc2)c(OC)c1 2295459798 ZBQZEPGDUNVYTN-UHFFFAOYSA-N 456.454 4.247 50 10 JIGE C=CCNC(=O)C(C#N)=C1S[C@H](Cc2ccc(CC)cc2)C(=O)N1c1ccc(OCC)cc1 2314593780 SQJZNUFEHCIGEE-HSZRJFAPSA-N 461.587 4.376 50 10 JIGE COc1cc(C=C2C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1 2314620134 KIFUNXBEZBQQQA-UHFFFAOYSA-N 494.931 4.083 50 10 JIGE CCc1cnccc1CO[C@]1(CI)CCCN(C(=O)OC(C)(C)C)C1 2317788951 KOUZTTDILWFACS-IBGZPJMESA-N 460.356 4.365 50 10 JIGE C[C@]1(CBr)COCCN(Cc2ccc(Cl)c(I)c2)C1 2337217809 BGOIEJQTAZIJJJ-CQSZACIVSA-N 458.565 4.178 50 10 JIGE CC1(C)CN(Cc2ccc(I)c(Br)c2)C[C@H](CCl)O1 2349823602 DHZISYPYKAXZQP-NSHDSACASA-N 458.565 4.272 50 10 JIGE Clc1ccc(CN2C[C@@H](Br)C[C@@]3(CCCO3)C2)c(I)c1 2366714752 LBNWMNWRVHJIQS-WFASDCNBSA-N 470.576 4.463 50 10 JIGE N#C/C(C(=O)N1CCOCC1)=C1\S[C@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1 13564250 ILMRSVSVDJWYSB-BFWROUECSA-N 488.396 4.278 50 10 JIGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)c2ccc(NC(=O)C3CC3)cc2)c(C(C)(C)C)c1 14661726 BJNTZXGFNGNXJY-UHFFFAOYSA-N 465.594 4.470 50 10 JIGE CCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(-c3ccccc3)cc2)cc1Br 14770904 NIOSKRUMQQWFBK-UHFFFAOYSA-N 498.402 4.464 50 10 JIGE N#CC1=C(N)Oc2cc(OC(=O)[C@@H]3COc4ccccc4O3)ccc2[C@@H]1c1ccccc1Cl 38687602 FWFPIOZVCWSUJF-GOTSBHOMSA-N 460.873 4.304 50 10 JIGE COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1c(C)ccc(C)c1C 40879971 KXCFOQOSHAWNHD-CIAFOILYSA-N 474.513 4.421 50 10 JIGE CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)cc1 40882653 VWFKWNRTQNQUSB-NBVRZTHBSA-N 466.519 4.118 50 10 JIGE O=C(Oc1ccc(N(CCBr)CCBr)cc1)c1ccc([N+](=O)[O-])cc1 95719658 SDAIMQSEPQFQJY-UHFFFAOYSA-N 472.133 4.410 50 10 JIGE COc1ccc(N2C(=O)[C@H](Cc3ccccc3F)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242283 WKPBFWJOAKGOSR-WTALZMIHSA-N 477.517 4.170 50 10 JIGE CC(C)Cc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(S(=O)(=O)NC(N)=O)cc3)n2)cc1 102454994 SKTDEPQZUPOQEA-AQTBWJFISA-N 481.603 4.342 50 10 JIGE Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1CC(=O)NNC(=O)Cc1ccc(Cl)cc1 107528190 BDXBHUFUFJDPGM-UHFFFAOYSA-N 464.875 4.094 50 10 JIGE COc1cc(/C=C(/C#N)C(N)=O)ccc1OC(=O)/C=C\c1ccc(OCc2ccccc2)cc1 206425350 WREFRMILMCMRDM-BORWVLFKSA-N 454.482 4.285 50 10 JIGE CCCCOC(=O)c1ccccc1NC(=O)/C(C#N)=C\N[C@H](C)c1ccc(OC)c(OC)c1 217240312 DCPQUHFDOSPHDH-KAKMCVKYSA-N 451.523 4.357 50 10 JIGE Cc1cc(-c2ccc(C=NNC(=O)[C@@H](NC(=O)Cc3cccs3)C(C)C)o2)cc([N+](=O)[O-])c1C 252636509 XJEPPRIDKFZJQA-QHCPKHFHSA-N 482.562 4.367 50 10 JIGE COc1cccc(C=NNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)cc2)c1 254415610 WRWYUDCGZIPNQH-UHFFFAOYSA-N 457.559 4.494 50 10 JIGE CCOC(=O)c1c(NC(=O)C(=O)NN=C/C(C)=C/c2ccccc2)sc2c1CC[C@@H](C)C2 254737348 ZQPIMJCFQFITOW-VGIBTHDSSA-N 453.564 4.194 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1CCC[C@H](CBr)CC1 381078975 AJXPSPNVGFLYDQ-JTQLQIEISA-N 490.055 4.397 50 10 JIGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1CCSC[C@@H]1CBr 387546783 ADJHZJYENIQXCZ-QMMMGPOBSA-N 484.062 4.257 50 10 JIGE O=C(CBr)c1cc(OC(F)F)cc(I)c1Br 575682602 VUJNNYKHZBPINC-UHFFFAOYSA-N 469.845 4.233 50 10 JIGE O=C(c1ccc(F)cc1I)N1[C@H]2CC[C@H]1CC(CBr)C2 719303211 XAPUBFPKDWYPHD-RYUDHWBXSA-N 452.105 4.208 50 10 JIGE Cc1cccc(C)c1NC(=O)CSc1ccc(C=NNC(=O)c2ccccc2[N+](=O)[O-])o1 1084620984 CAAYXVZJRWZNGG-UHFFFAOYSA-N 452.492 4.299 50 10 JIGE Cc1c(C(=O)NCc2ccco2)oc2c1C(=NNC(=O)c1ccccc1Br)CCC2 1772743584 CQXGIOAAYKLJIR-UHFFFAOYSA-N 470.323 4.344 50 10 JIGE CCCCCCc1ccc(S(=O)(=O)NNC(=O)c2ccc(OCCC)c([N+](=O)[O-])c2)cc1 1860405958 AHECBRCCOIXIOW-UHFFFAOYSA-N 463.556 4.130 50 10 JIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2)cc(OC)c1OC 1865693572 WZAUUPVVQONQJU-GOSISDBHSA-N 486.450 4.194 50 10 JIGE Cc1nsc(Br)c1C(=O)N[C@H](CCBr)COCc1ccccc1 1902797849 JHKYKUBZQVKEAL-CYBMUJFWSA-N 462.207 4.314 50 10 JIGE O=C1c2ccccc2C(=O)N1CCc1nccn1-c1ccc(CBr)c(Br)c1 1913030243 ISSAKDHZXZEMPA-UHFFFAOYSA-N 489.167 4.368 50 10 JIGE CN(CC1(CBr)CC1)C(=O)c1cc(I)ccc1Br 1915538449 DVVGXYDEBFGSFZ-UHFFFAOYSA-N 486.973 4.301 50 10 JIGE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)C1NCCSSCCNC(=O)OC(C)(C)C 1985346689 GNZJUZIPAZXWGQ-HZPDHXFCSA-N 463.710 4.374 50 10 JIGE CCOC(=O)Cc1ccc(OC(F)(F)F)c(I)c1CBr 2055272850 ORCAESPUDPYTQP-UHFFFAOYSA-N 467.019 4.190 50 10 JIGE Cn1nc([C@@H](Br)c2cc3nc(O)[nH]c3cc2Br)cc1Br 2150477826 CBBAHXWQRVEUNQ-NSHDSACASA-N 464.943 4.011 50 10 JIGE CC1(C)CCC[C@]1(CBr)NC(=O)c1ccc(I)c(O)c1 2150547375 XPZQQGHTUPMNTL-OAHLLOKOSA-N 452.130 4.070 50 10 JIGE C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(Br)c(CCl)c2)CN1Cc1ccccc1 2154838054 ASXOWVJZGMZYER-CRAIPNDOSA-N 471.848 4.471 50 10 JIGE O=S(=O)(c1ccc(CCl)c(Br)c1)N1C[C@H]2C[C@H]1CN(Cc1ccccc1)C2 2160683713 OSKOBFKPXYADJK-WMZOPIPTSA-N 469.832 4.083 50 10 JIGE C[C@@](CBr)(NS(=O)(=O)c1c(Cl)cccc1Br)C(F)(F)F 2161377145 SOGOKAPDKFBJDQ-VIFPVBQESA-N 459.509 4.097 50 10 JIGE Cc1ccc(S(=O)(=O)N2C[C@H](C)N(Cc3ccccc3)C[C@@H]2C)cc1CBr 2179786337 ZGVOEVKQZMBDAR-ROUUACIJSA-N 451.430 4.173 50 10 JIGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1C[C@@H]2C[C@@H]2[C@@H]1CBr 2199023085 LAJIVUHNFTXZDY-RASWFIQWSA-N 464.006 4.160 50 10 JIGE Cc1ccc(C(=O)N(C)C[C@@H](Cl)COCc2ccccc2)cc1I 2212990062 FDLHIMQMRLRGBY-QGZVFWFLSA-N 457.739 4.496 50 10 JIGE CCC[C@@H]1CN(C(=O)c2c(F)cccc2I)C[C@@H]1CBr 2282805394 DVZCRMGAUMKTIF-MNOVXSKESA-N 454.121 4.314 50 10 JIGE O=C(Cc1cccc(Br)c1)N[C@@H](CCBr)COCc1ccccc1 2303545089 MSEIJRWUIPIFJP-SFHVURJKSA-N 455.190 4.478 50 10 JIGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)C1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 2314616683 HGGKCRWUUSCKCT-UHFFFAOYSA-N 483.436 4.376 50 10 JIGE CCOc1cc(C=NNC(=O)[C@H](C)NC(=O)OC(C)(C)C)ccc1OCc1ccc(F)cc1 2328818725 YKTYRWIGBVHEIW-INIZCTEOSA-N 459.518 4.167 50 10 JIGE O=C(N[C@H]1C[C@@H]2C[C@H]1C[C@@H]2Br)c1cc(Cl)ccc1I 2330898843 BREUYECUIWEGBU-BSCUDYGSSA-N 454.533 4.236 50 10 JIGE CO[C@]1(C(F)F)C[C@H](CO[C@@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)C1 2343096565 AVMHFNDSYGNGOT-XWIAVFTESA-N 489.341 4.268 50 10 JIGE ClC[C@@H]1C[C@@H]2OCC[C@@H]2N1Cc1ccc(I)c(Br)c1 2349837876 XRSMHFLCEVWUDO-BPNCWPANSA-N 456.549 4.024 50 10 JIGE CC(C)(C)OC(=O)NC[C@@H]1CC[S@@](=O)(=NC[C@]2(CBr)CC2(F)F)C1(C)C 2351886828 FDPBSKHBZIGZJE-WDXBXZOCSA-N 459.397 4.198 50 10 JIGE O=C(CCc1ccccc1Cl)NNC(=O)COc1ccc2ccccc2c1Br 10458700 RQASRDGPNMLCRH-UHFFFAOYSA-N 461.743 4.415 50 10 JIGE O=C(COc1ccc2cc(Br)ccc2c1Br)N/N=C/c1cccnc1 12491373 WUQRARCTBWRMIP-LSHDLFTRSA-N 463.129 4.289 50 10 JIGE Cc1cc(Br)ccc1OCC(=O)NNC(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1 14038738 RIWKZVUWMCFGNF-KRWDZBQOSA-N 483.362 4.418 50 10 JIGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)COc2ccccc2C(C)(C)C)cc1 14666773 AKZGMLZJIDEQRL-UHFFFAOYSA-N 459.546 4.385 50 10 JIGE C=CCOc1cc(Br)c(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc1OCC 58891686 IDCCDQAVDWZGBG-YPFLROGLSA-N 461.356 4.377 50 10 JIGE COc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)cc(Br)c1O 100437461 UOXLDOKAHOEZAE-DHRITJCHSA-N 482.334 4.488 50 10 JIGE C/C(CC(=O)Nc1ccc(Cl)c(Cl)c1)=N\NC(=O)C(=O)Nc1ccc(C)c(Cl)c1 100958696 WCNZCGQFIPPRLV-OPEKNORGSA-N 455.729 4.415 50 10 JIGE CCOc1cc(/C=N\NC(=O)c2cccn(Cc3ccccc3)c2=O)cc(Cl)c1OCC 169919612 DVWBFKNEQWDUOB-YSMPRRRNSA-N 453.926 4.111 50 10 JIGE FC(F)(F)Oc1c(I)ncc(CBr)c1Br 396156768 LPFSJJBXYHWXKY-UHFFFAOYSA-N 460.813 4.242 50 10 JIGE CN(C[C@H]1CCCCN1Cc1ccccc1)S(=O)(=O)c1cc(CCl)oc1Br 720076518 DYQQJEMFYCTVFU-MRXNPFEDSA-N 475.836 4.456 50 10 JIGE COc1ccccc1N(CC(=O)NN=Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1 1084526537 ZWEJDGHSTJUFLQ-UHFFFAOYSA-N 492.384 4.348 50 10 JIGE C#Cc1cccc(NC(=S)NNC(=O)[C@H]2CN(Cc3ccccc3)C[C@]2(C)c2ccccc2)c1 1471691802 UOIHTQNAVNWEBG-LEAFIULHSA-N 468.626 4.075 50 10 JIGE CC(=O)c1ccc(NC(=O)NNC(=O)c2ccc(COc3ccc4ccccc4c3)cc2)nc1 1623659756 GODQXDMWRPXFOO-UHFFFAOYSA-N 454.486 4.483 50 10 JIGE COC(=O)c1ccccc1N(C)C(=O)c1oc2c(c1C)C(=NNC(=O)c1ccccc1OC)CCC2 1772746169 RCMYLCCQMLAZCJ-UHFFFAOYSA-N 489.528 4.130 50 10 JIGE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@H]2c1cc(Br)ccc1O 1865695442 CPPGFSOGYAVGHW-CYBMUJFWSA-N 457.250 4.244 50 10 JIGE CSCC[C@@H](NC(=O)c1cc(-c2ccc(F)c(F)c2)[nH]n1)C(=O)Nc1ccc(SC#N)cc1 1867094749 GPHZFVAHZXAOOZ-GOSISDBHSA-N 487.557 4.418 50 10 JIGE Brc1cc(C[C@H]2COCC[C@@H]2Br)ccc1I 1904329703 MWJODPFRDGEGDH-UWVGGRQHSA-N 459.947 4.396 50 10 JIGE CC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccccc2)C2(CBr)CCC2)cc1 1915756457 YFUGFXABFYPOHF-UHFFFAOYSA-N 451.386 4.154 50 10 JIGE C[C@H]1CN(S(=O)(=O)c2ccc(Br)c(CCl)c2)CCN1Cc1ccccc1 2088572678 DSGHTRIMDAZINZ-HNNXBMFYSA-N 457.821 4.083 50 10 JIGE Cc1cc(Br)cc(CBr)c1OCc1c(Br)nnn1C 2089733753 YNWAZZLBROTBQD-UHFFFAOYSA-N 453.960 4.122 50 10 JIGE O=C(NC[C@]1(F)C[C@H](CBr)C1)c1c(Br)cccc1Br 2112239848 NELLWPMXCOBIEM-XCSCGOTBSA-N 457.963 4.455 50 10 JIGE O=C(c1cc(Br)ccc1I)N1[C@H]2CC[C@@H](C2)[C@@H]1CCl 2122181265 VBAAGRGYKNKZRE-FWDPORAESA-N 454.533 4.286 50 10 JIGE C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1NS(=O)(=O)c1ccc(CBr)cc1 2155547496 CTDATEQAGSMZQK-IAGOWNOFSA-N 451.430 4.016 50 10 JIGE C[C@](CBr)(NS(=O)(=O)c1ccc(Cl)c(Br)c1)C(F)(F)F 2161376235 OPKIUTNNDJZARY-SECBINFHSA-N 459.509 4.097 50 10 JIGE Cc1cc(S(=O)(=O)N2CCN(Cc3ccccc3)C[C@@H](C)C2)ccc1CBr 2179785539 NXUFMUFTPLZIHO-QGZVFWFLSA-N 451.430 4.033 50 10 JIGE Cc1sc(CBr)cc1S(=O)(=O)N(C)CC1CCN(Cc2ccccc2)CC1 2179823421 JLYDWLOHFMPHOJ-UHFFFAOYSA-N 471.486 4.484 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@H]2CC[C@]2(CBr)C1 2198876359 ASZHGADYEHTRHP-RNCFNFMXSA-N 488.039 4.007 50 10 JIGE CCOc1ccc([C@@H](Br)c2nn(C)nc2Br)cc1Br 2226986013 GFKCUFKGKKZZOC-SNVBAGLBSA-N 453.960 4.223 50 10 JIGE CCN(C[C@](C)(CI)OC1(C(C)(C)C)COC1)C(=O)OC(C)(C)C 2250812045 BZJVTYGWOXJPKK-KRWDZBQOSA-N 455.377 4.269 50 10 JIGE O=C(NC1CC([C@@H](F)CBr)C1)c1ccc(Cl)c(I)c1 2268345870 GXVKVAVMQNROQA-AMUVOQDHSA-N 460.512 4.186 50 10 JIGE BrC[C@H]1[C@@H]2C[C@@H]2CN1Cc1ccc(I)c(Br)c1 2306228193 PEMJBRACIQDOSF-BREBYQMCSA-N 470.974 4.269 50 10 JIGE COc1cc(C=CC#N)ccc1OC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 2314795713 JISVEUCMTLNRAZ-JOCHJYFZSA-N 452.466 4.045 50 10 JIGE CCCOc1c(OC)cc(C=NNC(=O)Cc2cc(Cl)ccc2SC)cc1[N+](=O)[O-] 2323686547 NAGQOYSAOBASIP-UHFFFAOYSA-N 451.932 4.460 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN=c1ccc(C=CB2OC(C)(C)C(C)(C)O2)c[nH]1 2339586145 ABPMRAFDFBSFJU-UHFFFAOYSA-N 481.493 4.466 50 10 JIGE Cc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2c(C)cc(Br)cc2C)cc1Br 14643271 JATHTYZAKZCAGL-CYBMUJFWSA-N 484.188 4.365 50 10 JIGE COC(=O)COc1ccc(/C=C(\C#N)c2nc3cc(C)ccc3[nH]2)cc1I 33472740 YGZMDXQGJXEIND-RIYZIHGNSA-N 473.270 4.092 50 10 JIGE COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OC(=O)/C=C\c1cccc([N+](=O)[O-])c1 206395656 CYTVEONDWABCLW-YTOQZAGQSA-N 483.480 4.446 50 10 JIGE CC(=NNC(=O)[C@]1(C)CC1(Br)Br)c1ccc(NC(=O)C2CCC2)cc1 252621930 NKIMFHQTGOLIHY-KRWDZBQOSA-N 471.193 4.162 50 10 JIGE CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(Cl)s2)cc1 254875701 FAPQHVGKZKWQHB-UMQCCNOLSA-N 452.967 4.389 50 10 JIGE O=C(N[C@H]1CCC[C@@H](Br)C1)c1cc(Br)ccc1I 694518645 WSWOANQCIAAXAK-SCZZXKLOSA-N 486.973 4.490 50 10 JIGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Cl)cc(Br)c2O)cc1 725421587 YCIBVWZAYKZYRR-QGZVFWFLSA-N 455.736 4.171 50 10 JIGE CC(=O)c1cc(Br)ccc1OCC(=O)NNc1c(C)cccc1Br 1300358757 GRZPRYLBXROAKC-UHFFFAOYSA-N 456.134 4.245 50 10 JIGE C=CCn1nc(C)c(-c2cc(C(=O)NNC(=S)Nc3ccc(CCCC)cc3)n[nH]2)c1C 1440607652 IRBPXVINAZANPC-UHFFFAOYSA-N 451.600 4.050 50 10 JIGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@H](c2ccc(O)c([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865715052 UMSHWKSXBZHEID-HSZRJFAPSA-N 495.495 4.439 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CCN(C(=O)OC(C)(C)C)CC1(F)F 1901034601 PYLILZKLJOOMKM-AWEZNQCLSA-N 471.636 4.127 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@@](CBr)(OCCOCCOCc2ccccc2)C1 1910535646 ZUHPIZGXLYAUQK-QFIPXVFZSA-N 472.420 4.401 50 10 JIGE Cc1c(Br)sc([C@@H](Br)[C@@H](C)S(C)(=O)=O)c1Br 1922934170 CVXKILBAADBJJC-VDTYLAMSSA-N 455.031 4.451 50 10 JIGE O=S(=O)(C[C@@H](Br)c1csc(Br)c1Br)N1CCCC1 2032953646 NJOXULHNGSHWEW-MRVPVSSYSA-N 482.057 4.135 50 10 JIGE O=C(Cl)c1c(C(F)(F)F)ccc(I)c1I 2060044421 IZMAPFLDCYCPPP-UHFFFAOYSA-N 460.358 4.294 50 10 JIGE BrC[C@H]1CN(c2ncc(I)cc2Br)CC12CCC2 2069533597 JSRUNULBLNBYRK-VIFPVBQESA-N 485.989 4.450 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@@H]2CC[C@@H](Br)[C@H]2C1 2087937618 QZQHSPZTESMJHK-LJUAHTATSA-N 498.984 4.299 50 10 JIGE O=C(c1sccc1I)N1C[C@]2(F)CCC[C@]2(CBr)C1 2120127675 FXFYTRXWBHWXQE-QWHCGFSZSA-N 458.134 4.082 50 10 JIGE Cc1cc(C(=O)N[C@@H]([C@H](C)Br)C(F)(F)F)ccc1I 2142108361 YVPWPKOQZPQBNW-XVKPBYJWSA-N 450.036 4.044 50 10 JIGE CC[C@@]1(NC(=O)OC(C)(C)C)CCCN(S(=O)(=O)c2ccc(CBr)cc2)C1 2163052416 DEQFCSIMYBMWHK-LJQANCHMSA-N 461.422 4.040 50 10 JIGE O=C(Nc1ccc(I)cc1[N+](=O)[O-])[C@@H](Br)C1CCCC1 2167051528 WASBTKZIOCLZRX-LBPRGKRZSA-N 453.074 4.092 50 10 JIGE Cc1cc(S(=O)(=O)N(C)C[C@@H]2CCN(Cc3ccccc3)C2)ccc1CBr 2179784601 BFJHBQIBHBBVQE-IBGZPJMESA-N 451.430 4.033 50 10 JIGE O=S(=O)(c1cc(CBr)ccc1Cl)N1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 2187747030 DNRPVDMLYROZFD-ROUUACIJSA-N 469.832 4.130 50 10 JIGE O=S(=O)(c1cc(Cl)c(Br)s1)N1[C@H]2CC[C@H]1[C@H](F)[C@H](Br)C2 2190678356 LCHOEIGZRKYFTJ-CVUIIHQFSA-N 467.607 4.191 50 10 JIGE CC(C)(C)OC(=O)N1CCC(CI)(OC[C@@]23C[C@@H](CO2)C3(C)C)CC1 2260718305 GYDOBXBOWWEVIC-IFXJQAMLSA-N 465.372 4.023 50 10 JIGE CN(Cc1ccc(I)cc1)S(=O)(=O)c1ccsc1CBr 2280262741 UXIXTFUAPIXTBC-UHFFFAOYSA-N 486.194 4.068 50 10 JIGE Cc1ncc2nc(CCl)n(-c3ccc(I)cc3Br)c2n1 2286645473 AEEMFTPFECGUQN-UHFFFAOYSA-N 463.504 4.230 50 10 JIGE C=CC[C@]1(CBr)CCCN1C(=O)c1cc(I)ccc1F 2287781712 HABLZUICIYPIQA-OAHLLOKOSA-N 452.105 4.376 50 10 JIGE C=CC[C@]1(CBr)CCN(C(=O)c2c(F)cccc2I)C1 2287789638 FHAGQZACGMZBQR-OAHLLOKOSA-N 452.105 4.234 50 10 JIGE COc1cc(CN(C)C[C@@H](Br)COCc2ccccc2)c(Br)cn1 2300096373 PAAKVDAGJZQUQX-MRXNPFEDSA-N 458.194 4.265 50 10 JIGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 2314789736 YLELBUKTAFRUDP-SFHVURJKSA-N 450.535 4.027 50 10 JIGE Cn1nc(Br)c(Br)c1C(=O)N[C@@H]1C[C@@H](Br)CC(C)(C)C1 2364015769 SIPSBYBQUDVFCL-HTQZYQBOSA-N 472.019 4.017 50 10 JIGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCC[C@H](CCCBr)C1 2364208782 LWAHHYBWHOKQCO-SFHVURJKSA-N 499.471 4.060 50 10 JIGE CN(Cc1c(Br)cccc1Br)S(=O)(=O)CC1(CBr)CC1 2366214555 IEVWAGLFGUSMCG-UHFFFAOYSA-N 490.055 4.148 50 10 JIGE COc1ccc2c(c1)/C(=N\NC(=O)CCCOc1ccc(Cl)cc1Cl)C(=O)N2C(C)C 38180306 LONDVPQPMQIIKN-YYADALCUSA-N 464.349 4.437 50 10 JIGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)cc1 38687495 JYBLKYXOEJZWJR-CLJLJLNGSA-N 484.508 4.439 50 10 JIGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)cc1 38688572 ZQZQCBJGTPOFTA-UIOOFZCWSA-N 482.492 4.215 50 10 JIGE COc1c(Br)cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc1Br 58887095 ZIPGFMHLFJESSA-SJJOQSKNSA-N 470.161 4.184 50 10 JIGE Cc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)c(C)n1-c1cc(C(=O)O)ccc1Cl 58890698 ILTOAOFTVDEARP-RMWBRQFISA-N 453.926 4.410 50 10 JIGE O=C(CSc1nnc(CCc2ccccc2)n1-c1ccccc1)N/N=C/c1ccc([N+](=O)[O-])cc1 58986967 XNJOXTQHHXUFEI-YZSQISJMSA-N 486.557 4.203 50 10 JIGE CC1(C)O[C@@H]2[C@H](CO[Si](C)(C)C(C)(C)C)O[C@H](n3ccc4c(Cl)nc(N)nc43)[C@@H]2O1 196304037 WXKYMEIKPSQDLH-CFAJVAMVSA-N 455.031 4.106 50 10 JIGE CC1CCC(CBr)(NC(=O)c2cc(I)ccc2O)CC1 232804008 WEENEWBULOHJGZ-UHFFFAOYSA-N 452.130 4.070 50 10 JIGE COc1ccccc1CN1C(=O)C(=NNC(=O)COc2ccc(C(C)(C)C)cc2)c2ccccc21 245285824 YUFIUMVBYRJUSU-UHFFFAOYSA-N 471.557 4.439 50 10 JIGE COCc1cc(C)nc(SCC(=O)NN=Cc2cc(C)n(-c3ccc(C)cc3)c2C)c1C#N 254302618 CNBFZJQIJVPVGP-UHFFFAOYSA-N 461.591 4.366 50 10 JIGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3cccc(C)c3)cc2OC)cc1 254305531 HCFIIHAIZJOWNG-UHFFFAOYSA-N 462.502 4.151 50 10 JIGE CCOC(=O)c1c(NC(=O)NN=Cc2cc(Br)ccc2O)sc2c1CCCC2 256017175 XOQXTWUYRNQVEB-UHFFFAOYSA-N 466.357 4.427 50 10 JIGE C[C@@H]1[C@H](Br)CCCN1C(=O)c1cc(I)ccc1Br 395215886 KJDKFFXFLXAZFD-LDYMZIIASA-N 486.973 4.442 50 10 JIGE CC1(C)[C@@H](Br)CCN1C(=O)c1ccc(I)c(Br)c1 721612191 HVNOXIDRHUWSMR-NSHDSACASA-N 486.973 4.442 50 10 JIGE O=S1(=O)CCC[C@H]1CC(CBr)(CBr)c1ccccc1Br 822172992 VSPSYLLUJWFCKB-NSHDSACASA-N 489.067 4.444 50 10 JIGE C=C(Cl)C[C@@H](NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(OC)cc2)c1C)C(=O)OCC 1544338478 GWJSRCXMROHDFY-OOIVEFLKSA-N 455.942 4.200 50 10 JIGE C#Cc1cccc(NC(=S)NNC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(C)c3)c2C)c1 1558200305 YMTCSUHCTOKJIK-PXLXIMEGSA-N 453.571 4.309 50 10 JIGE C#Cc1cccc(NC(=S)NNC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3C)c2C)c1 1651317203 BGFYISFTERKJJV-JCMHNJIXSA-N 453.571 4.309 50 10 JIGE CCc1nn(Cc2ccccc2)c2c1[C@@H](c1cc(Br)cc(OC)c1O)C(C#N)=C(N)O2 1865697242 YFDAGHLXMLAZOV-IBGZPJMESA-N 481.350 4.189 50 10 JIGE N#CSc1ccc(NC(=O)[C@H](CO)NC(=O)C[C@@H](c2ccccc2)c2ccc(F)c(F)c2)cc1 1867122507 HWFWSGKKLVRIBF-REWPJTCUSA-N 481.524 4.176 50 10 JIGE CS(=O)(=O)C1([C@@H](Br)c2sc(Cl)cc2I)CC1 1901029106 RDQRVZKYSAPYMP-QMMMGPOBSA-N 455.564 4.019 50 10 JIGE BrC[C@H]1CCCN(c2ncc(I)cc2Br)CC1 2015758515 IXJSTYGVAZCGQQ-VIFPVBQESA-N 473.978 4.450 50 10 JIGE CCc1c(CBr)ccc(I)c1I 2060219703 DXNLWQUQYYFSCS-UHFFFAOYSA-N 450.883 4.353 50 10 JIGE O=C(c1ccc(Br)cc1Br)N1CC[C@@H]2[C@H](CBr)[C@@H]2C1 2093138560 VHECNMIJPMENGK-ADEWGFFLSA-N 451.984 4.315 50 10 JIGE O=C(c1cc(Br)cc(Br)c1)N1C[C@@H]2C[C@H](CBr)[C@@H]2C1 2117687836 CSRPRZHPCFJMAC-NRUUGDAUSA-N 451.984 4.315 50 10 JIGE C[C@H](CCCCCI)NS(=O)(=O)c1ccc(Br)cc1 2117893242 HLFRSAQJGKYGLZ-LLVKDONJSA-N 460.175 4.111 50 10 JIGE O=C(c1ccc(F)cc1I)N1CC[C@@H]2C[C@@H](Br)CC[C@H]21 2143971265 FYPCURCBGVXYBD-ISTVAULSSA-N 452.105 4.208 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2CC=CC[C@@H]2CBr)cc1Br 2176377554 IZYYXDKVLHKASS-SNVBAGLBSA-N 488.039 4.234 50 10 JIGE C[C@@H]1[C@@H](O[C@@H](CI)c2ccccc2Br)C2CCN1CC2 2198004966 ARHAPNNHMWLVRL-XFBWCDHKSA-N 450.158 4.425 50 10 JIGE CC(C)(C)OC(=O)N1CC[S@@](=O)(=NCCCCCI)C(C)(C)C1 2211185557 KHGRJQJDBAJCOV-QHCPKHFHSA-N 458.406 4.089 50 10 JIGE O=C(c1csc(I)c1)N1CC[C@@H]2[C@@H](Br)CCC[C@@H]2C1 2225379014 FFGZLLNJHFJBLD-USWWRNFRSA-N 454.171 4.378 50 10 JIGE COCCN(C[C@@H](C)Br)C(=O)c1cccc(Br)c1Br 2272445556 PYSTZCDWOVWIFC-SECBINFHSA-N 457.988 4.084 50 10 JIGE CCN(C[C@@](C)(CI)OC[C@@H]1COCC1(C)C)C(=O)OC(C)(C)C 2301193555 CMNIVJDTANSUQF-KBXCAEBGSA-N 455.377 4.126 50 10 JIGE O=S(=O)(Cc1ccsc1Br)N[C@H](CCCl)COCc1ccccc1 2303764994 RWOJBSNPHLVRJM-OAHLLOKOSA-N 452.823 4.144 50 10 JIGE CCOc1cc(C=C2C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 2314619575 BRSOFTLWBZSWOU-UHFFFAOYSA-N 488.540 4.128 50 10 JIGE BrCc1cnc(OCc2ccc(I)c(Br)c2)nc1 2325386316 LCTGLYZLRDYQMQ-UHFFFAOYSA-N 483.929 4.318 50 10 JIGE CC(C)CC(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(OCCOc3ccccc3)cc2)cc1 14039517 CVRCHRYCFOSESC-UHFFFAOYSA-N 475.545 4.204 50 10 JIGE CCCCC(=O)Nc1ccc(C(=O)NNC(=O)c2cc(Br)ccc2OCC)cc1 14655066 AOUOHDZFFPPLIF-UHFFFAOYSA-N 462.344 4.051 50 10 JIGE CCOC(=O)c1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc(OC)c2)CCC3)cc1 40822337 DRXFIZJILAECML-XHLNEMQHSA-N 489.528 4.496 50 10 JIGE COCCCNC(=O)c1cc2ccc(OC(=O)/C(C#N)=C/c3ccc(C(C)C)cc3)cc2oc1=O 40894307 JAWYYLAHQHOYMV-FYJGNVAPSA-N 474.513 4.195 50 10 JIGE CCOc1ccc(/C=C(/C#N)C(=O)N(c2ccc(OC)cc2)S(=O)(=O)c2ccccc2)cc1OC 207130803 SBJBFGQRZUDHHK-SILNSSARSA-N 492.553 4.432 50 10 JIGE CC[Si](CC)(O[Si](CC)(CC)c1ccc(C(=O)OC)cc1)c1ccc(C(=O)OC)cc1 253577528 XEADZBAGHWGRJG-UHFFFAOYSA-N 458.703 4.361 50 10 JIGE CCOc1cc(C=NNC(=O)c2ccc(F)cc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 254740763 YTMWNRNATTVJDC-UHFFFAOYSA-N 451.410 4.116 50 10 JIGE Cc1cc(/C=C(/C#N)C(=O)NCc2ccc(OCc3ccccn3)cc2)c(C)n1C[C@H]1CCCO1 917755828 IBFRVMZNRORXKN-KLKBWYFJSA-N 470.573 4.481 50 10 JIGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)cc1 1084416965 VFBAAEDIZPSCHM-XMMPIXPASA-N 494.548 4.374 50 10 JIGE O=C([C@@H](Br)Cc1ccccc1Br)N1CCN(c2ccccc2)CC1 1858181038 DXDLQJIFJPNQPQ-SFHVURJKSA-N 452.190 4.104 50 10 JIGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(O)cc1O)C(C#N)=C(N)O2 1865681360 LFXZTTFBLDIZSZ-FQEVSTJZSA-N 454.889 4.306 50 10 JIGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@@H](c2cccn2C)C(C#N)=C(N)O3)cc1 1865699088 KJOFPXNYSJWSFM-HSZRJFAPSA-N 451.530 4.472 50 10 JIGE CCC[C@H](NC(=O)CCS(=O)(=O)c1cccc(Cl)c1)C(=O)Nc1ccc(SC#N)cc1 1866886154 IWBAXPAGOTWCBS-IBGZPJMESA-N 480.011 4.001 50 10 JIGE CSCC[C@@H](NC(=O)C[C@H]1CC(=O)c2ccccc21)C(=O)Nc1ccc(SC#N)cc1 1867242487 VRQFEFKFULLHLC-FOIQADDNSA-N 453.589 4.196 50 10 JIGE C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC1CC(Br)C1 1881372652 GNKMEADEMRUATL-QQFBHYJXSA-N 457.368 4.203 50 10 JIGE Cc1cccc(C(=O)N[C@H]([C@@H](C)Br)C(F)(F)F)c1I 1882653420 VLPAORRTEKIZGY-GMSGAONNSA-N 450.036 4.044 50 10 JIGE C[C@@]1(CBr)CCN1Cc1ccc(I)c(Br)c1 1904344885 ZORNXJJBDSZXBA-LBPRGKRZSA-N 458.963 4.413 50 10 JIGE CCN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(CCl)ccc1Br 1915019789 OXYBMZODPQVIDX-GOSISDBHSA-N 471.848 4.473 50 10 JIGE CC(C)[C@@H](CCl)N(Cc1ccccc1)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 1978675959 HOTYDVJJYBOOSU-ZJSXRUAMSA-N 495.016 4.106 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1C[C@H]2C[C@H]1CC[C@H]2Br 2088647892 YFMGIFXSOZGPFL-GMTAPVOTSA-N 454.533 4.333 50 10 JIGE O=S(=O)(C[C@H](Cl)c1scc(Br)c1Br)N1CCCCC1 2089388256 AZXMIZWENWHTQK-VIFPVBQESA-N 451.633 4.369 50 10 JIGE C[C@@H]1CN(S(=O)(=O)c2cc(CBr)ccc2Cl)CCN1Cc1ccccc1 2123208815 FUJAVLOGHYKLAZ-OAHLLOKOSA-N 457.821 4.130 50 10 JIGE CC1(C)CN(C(=O)c2ccc(Br)cc2I)C[C@H]1CCl 2142282375 CLPIUFASQIKZLZ-SECBINFHSA-N 456.549 4.391 50 10 JIGE BrCc1cc(Br)c(OC[C@@H]2C[C@H]3OCC[C@H]3O2)c(Br)c1 2163234719 KRWSTZMJLIUJSO-ZWKOPEQDSA-N 470.983 4.432 50 10 JIGE CCN([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)Cc1cccc(CBr)c1 2179784764 DEXPOQQDYZMXTC-NRFANRHFSA-N 451.430 4.008 50 10 JIGE CN(Cc1csc(Br)c1)S(=O)(=O)c1ccc(CCBr)s1 2179815529 MJEBNLMPQUTPHZ-UHFFFAOYSA-N 459.250 4.330 50 10 JIGE O=S(=O)(c1ccc(CBr)cc1Br)N1CCC(Cl)=C(Cl)C1 2179858809 UGRGTGBLAWBQBT-UHFFFAOYSA-N 464.006 4.428 50 10 JIGE Cc1cc(C(=O)N2CCC(F)(F)[C@H](CBr)C2)ccc1I 2207101605 GXLIGZJINMYFBH-LLVKDONJSA-N 458.084 4.092 50 10 JIGE O=C(N1CCC[C@H]([C@@H]2CCCCN2CCCCCI)C1)C(F)(F)F 2220214471 DGUCKFJXUPVSLF-GJZGRUSLSA-N 460.322 4.247 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1CC[C@H](Br)[C@@H]1C1CC1 2268350406 SHKMMOTYPYHMNQ-GWCFXTLKSA-N 454.533 4.333 50 10 JIGE CCc1nn2c(=O)cc(COc3ccc(C=C(C#N)c4nc5ccccc5[nH]4)cc3OC)nc2s1 2297350745 LOVVQWIAMINZAO-UHFFFAOYSA-N 484.541 4.241 50 10 JIGE BrCC1[C@@H]2CN(Cc3ccc(I)c(Br)c3)C[C@@H]12 2306224321 PBHDYMYAKCUSTQ-QWRGUYRKSA-N 470.974 4.126 50 10 JIGE C[C@@H](Br)c1cnnn1Cc1ccc(I)c(Br)c1 2306249292 MXBXSNCXXFDLNZ-SSDOTTSWSA-N 470.934 4.149 50 10 JIGE COc1ccc(CCN2C(=O)C(=CNc3ccc([N+](=O)[O-])cc3Cl)C(C)=C(C#N)C2=O)cc1 2314585592 GVYVTBRKHZYUDG-UHFFFAOYSA-N 466.881 4.004 50 10 JIGE C[C@@H](C(=O)NN=Cc1ccc(Br)cc1F)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 2318792717 QQCCSIOIAKCWHX-NEPJUHHUSA-N 491.386 4.196 50 10 JIGE Cc1ccc(NC=C(C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(O)c1 2324608273 GBJASHHUQSWHLP-UHFFFAOYSA-N 452.558 4.454 50 10 JIGE N#CC(=C(O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 2331236590 KBDMSJLYWSSXHU-UHFFFAOYSA-N 479.474 4.413 50 10 JIGE Cc1ccc(C(=O)NNC(=O)c2ccccc2OCCc2ccccc2)cc1Br 10509217 ZHYPNCRKSRZLNK-UHFFFAOYSA-N 453.336 4.454 50 10 JIGE CC(C)c1ccc(OCC(=O)NNC(=S)NC(=O)C(c2ccccc2)c2ccccc2)cc1 13981171 YETHNQNUSYGBCS-UHFFFAOYSA-N 461.587 4.043 50 10 JIGE CCCCC(=O)Nc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2Cl)cc1 13986860 SNVCDZBGEZGILQ-UHFFFAOYSA-N 482.762 4.071 50 10 JIGE CCCCOc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)c1 14041954 OQVFVJZFHCPRPS-UHFFFAOYSA-N 496.633 4.334 50 10 JIGE C[C@@H](Cl)C(=O)N1CCCN(c2nc(Cc3ccccc3)nc3c2cnn3-c2ccccc2)CC1 35925522 UTUVJKURFCBTLI-LJQANCHMSA-N 474.996 4.072 50 10 JIGE CCOC(=O)c1cnn(-c2cc(C)c3cccc(OC)c3n2)c1NC(=O)[C@@H](Br)CC 170508868 PYSBOGGORNYJPU-HNNXBMFYSA-N 475.343 4.026 50 10 JIGE CC(C)(C)[Si](OC[C@@H]1[C@@H](O[C@@H]2CCCCO2)C[C@H]2OC(=O)C[C@@H]21)(c1ccccc1)c1ccccc1 196138821 KKUBBAJCNWPXGW-FTGRUMRQSA-N 494.704 4.426 50 10 JIGE C[C@H](Br)C(C)(C)NC(=O)c1cc(Br)ccc1I 235455237 WKYSXZTWEVLNIV-ZETCQYMHSA-N 474.962 4.346 50 10 JIGE CCN(C[C@@H](C)Br)S(=O)(=O)c1cc(Br)ccc1Br 691369759 DUHUHQCEFMNDLZ-MRVPVSSYSA-N 464.017 4.006 50 10 JIGE CCOc1cc(/C=C(\C#N)C(=O)N(C)C)cc(I)c1OCc1ccccc1 1084149127 XMATUUXZNNAWOR-LICLKQGHSA-N 476.314 4.264 50 10 JIGE Cc1cc(Br)c(N2C(=O)NC(=O)/C(=C\c3ccc(N(C)CCCl)cc3)C2=O)cc1C 1084298191 RBBULWIDQKPUNM-SFQUDFHCSA-N 490.785 4.407 50 10 JIGE CCOc1ccc(N(CC(=O)NN=Cc2cccs2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084519973 XHXDAJVNJLXMHV-UHFFFAOYSA-N 477.995 4.146 50 10 JIGE CCOC(=O)COc1c(Br)cc(C=NNC(=O)c2cc3ccccc3o2)cc1OCC 1084566580 SLZVRHXJQIHWAX-UHFFFAOYSA-N 489.322 4.300 50 10 JIGE Cc1ccc(S(=O)(=O)Oc2ccc(C=NNC(=O)c3cc(F)c(F)cc3Cl)cc2)cc1 1084627952 FTHFWEQUAKVLAG-UHFFFAOYSA-N 464.877 4.458 50 10 JIGE CC(=O)N1CCc2cc(NC(=O)NNc3cccc(OC(F)F)c3Br)ccc21 1672499892 QEJILDWIOIOPHR-UHFFFAOYSA-N 455.259 4.108 50 10 JIGE CCOc1ccc(NC(=O)[C@@H](C)Oc2cccnc2NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 1858687512 MFZFYLALZWACBQ-OAHLLOKOSA-N 466.450 4.405 50 10 JIGE CN(C)c1ccc([C@H](NC(=O)/C(C#N)=C/c2cccc(Br)c2)c2nccn2C)cc1 1866130610 CVUNQYZPTVXXAF-DOIQENQNSA-N 464.367 4.061 50 10 JIGE Cc1nc(I)c(I)n1CC[C@H](C)CCBr 1928099186 UFMYWZXDJIWQMT-SSDOTTSWSA-N 496.956 4.212 50 10 JIGE C[C@@H](Br)[C@@H]1CCN1C(=O)c1cc(Br)ccc1I 2011148431 GBPKFJNMGDOPRH-HQJQHLMTSA-N 472.946 4.052 50 10 JIGE O=S(=O)(c1cc(Br)cc(CBr)c1F)N1CC(OCc2ccccc2)C1 2059288405 HHVJYRXIQXHGHI-UHFFFAOYSA-N 493.192 4.073 50 10 JIGE O=C(CBr)c1cc(OC(F)F)c(I)c(OC(F)(F)F)c1 2060372929 SEFLTANQSUOWQS-UHFFFAOYSA-N 474.945 4.369 50 10 JIGE C[C@@H](Br)[C@H]1CCCN1C(=O)c1cc(I)ccc1Br 2073320821 SFTOQWUZKIDREQ-PRHODGIISA-N 486.973 4.442 50 10 JIGE CCN(C[C@](C)(CI)OCC12CCC(CC1)OC2)C(=O)OC(C)(C)C 2083308210 RGEXDSLRSDCXRN-OBONGRFPSA-N 467.388 4.413 50 10 JIGE C=CC[C@@H](CBr)CNC(=O)c1ccc(Br)cc1I 2086147942 URNMOOTZXATYDE-VIFPVBQESA-N 486.973 4.371 50 10 JIGE CCN(CC)S(=O)(=O)C[C@H](Cl)c1ccc(I)c(Br)c1 2089395650 KQIXYCOIAGBVMV-NSHDSACASA-N 480.593 4.005 50 10 JIGE C[C@@]12CN(C(=O)c3cc(Br)cc(Br)c3)C[C@]1(CBr)C2 2109182323 LFVTZXRZGLOBKJ-ZIAGYGMSSA-N 451.984 4.459 50 10 JIGE CN(C1(CBr)CCCC1)S(=O)(=O)c1cc(Cl)c(Br)s1 2113922530 OKVVRQQXBLOMDV-UHFFFAOYSA-N 451.633 4.492 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CC2(CC(CCl)C2)C1 2129958570 HMVALZUHLFMRCV-UHFFFAOYSA-N 454.533 4.145 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CCC([C@H](F)CCl)CC1 2163240336 KRNXDFYFACMZEO-CYBMUJFWSA-N 474.539 4.483 50 10 JIGE FC(F)(F)c1cnc(N2C[C@@H]3C[C@H](C[C@H]3Br)C2)c(I)c1 2163566380 WBSAQLHUNJWLSW-KHQFGBGNSA-N 461.063 4.315 50 10 JIGE CN(Cc1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)c(CBr)c2)C1 2179785635 OWEHXWSIRCPFCV-GOSISDBHSA-N 455.393 4.006 50 10 JIGE O=S(=O)(c1cc(CBr)ccc1Br)N1CCC(Cl)=C(Cl)C1 2179858029 INTURQXMKDGMHT-UHFFFAOYSA-N 464.006 4.428 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1C[C@H](Br)CCC12CC2 2268343461 IURRRMFJJOBUQI-SNVBAGLBSA-N 454.533 4.477 50 10 JIGE O=C(NC[C@H]1CCCC[C@@H]1CBr)c1c(F)cccc1I 2282811471 YVRYQSPVCKMHSK-GHMZBOCLSA-N 454.121 4.361 50 10 JIGE CCN(C[C@@](C)(CI)OC[C@H]1COCC1(C)C)C(=O)OC(C)(C)C 2301193558 CMNIVJDTANSUQF-RDTXWAMCSA-N 455.377 4.126 50 10 JIGE O=C(C=Cc1ccc(Cl)cc1)NNC(=O)COc1ccc(Br)cc1Br 2313864665 YLTKSZGZTHDCRS-UHFFFAOYSA-N 488.563 4.105 50 10 JIGE COc1ccc(N2C(=O)[C@H](Cc3ccccc3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314592837 CSCCBVMKUOJPLK-DEOSSOPVSA-N 469.566 4.438 50 10 JIGE C=CCn1c(SCC(=O)NN=Cc2ccco2)nc2scc(-c3ccc(C)cc3)c2c1=O 2320488227 KYPKARYRWDFGJZ-UHFFFAOYSA-N 464.572 4.455 50 10 JIGE N#CC(=CNc1ccc(I)cc1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 2325216181 NANFCAVPKHIMMN-UHFFFAOYSA-N 468.638 4.311 50 10 JIGE O=C(c1cc(Br)cc(Br)c1)N1CC[C@H]2[C@H](CBr)[C@H]2C1 2333116858 GPNOWVBZTFOHMS-AVGNSLFASA-N 451.984 4.315 50 10 JIGE C[C@@](NC[C@H]1C[C@H](Br)C1)(C(=O)O)c1cc(Br)c(Br)s1 2350026782 XNVGEHFTRILQAN-WSFZALMZSA-N 476.028 4.336 50 10 JIGE Clc1ccc(CN2CCO[C@@H]3C[C@@H](CBr)C[C@@H]32)cc1I 2362367616 DUKPXJUHQXQOGY-TUKIKUTGSA-N 470.576 4.319 50 10 JIGE COc1ccc(/C=N/NC(=O)CSc2nc(=O)c3c(-c4ccc(C)cc4)csc3[nH]2)cc1OC 2613886 MGFKKNZDWJZOOF-OPEKNORGSA-N 494.598 4.220 50 10 JIGE Cc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)c(C)c1 12500692 MTHNVUYBWOSHOJ-UHFFFAOYSA-N 474.586 4.025 50 10 JIGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(OCCC(C)C)cc2)cc1 14030220 ATQCVKMERTUVJZ-UHFFFAOYSA-N 457.596 4.240 50 10 JIGE CCCCOc1ccccc1C(=O)NNC(=O)COc1ccc(Cl)cc1Br 14032127 LRLRRXHJPAYFGE-UHFFFAOYSA-N 455.736 4.121 50 10 JIGE CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1 14037335 WVJYZNZMBUSPOM-SFHVURJKSA-N 479.602 4.368 50 10 JIGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2OC(C)C)cc1 14664801 KNVTVFOGLLAJTE-UHFFFAOYSA-N 457.596 4.382 50 10 JIGE CC(/C=C/c1ccccc1)=N\NC(=O)c1nn(Cc2ccc([N+](=O)[O-])cc2)cc1Br 33304057 FGBFXYWVVGFTTH-OQXHBXOGSA-N 468.311 4.421 50 10 JIGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)NCc3ccco3)c(Oc3ccccc3Cl)nc12 33397306 MNOVSYGVWDBBCI-VBKFSLOCSA-N 460.877 4.265 50 10 JIGE C=CCNC(=O)/C(C#N)=C\c1ccc(OC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)c(OC)c1 33656381 YSONDQMIMAEVDL-UWCCDQBKSA-N 454.910 4.239 50 10 JIGE Cc1c(C(=O)NNC(=O)c2ccc(Br)cc2)oc2c1C1(CCC2)SCCS1 39851989 BNPYSXOATIWFES-UHFFFAOYSA-N 467.410 4.394 50 10 JIGE Cc1ccc(OCC(=O)N/N=C2/C(=O)N(Cc3cccc([N+](=O)[O-])c3)c3ccccc32)cc1Cl 59158695 MQTICGOCFYJUKM-SLEBQGDGSA-N 478.892 4.003 50 10 JIGE CCCOc1ccccc1/C=C(/C#N)C(=O)Oc1ccc(/C=C(\C#N)C(=O)NC(C)C)cc1OC 206990744 VAWRJGKMAZEXBN-ZUWWQWPISA-N 473.529 4.428 50 10 JIGE CC(=NNC(=O)CNC(=O)C(c1ccccc1)c1ccccc1)c1ccc(Br)cc1 252618395 LFTKIFIFPAZBBD-UHFFFAOYSA-N 464.363 4.238 50 10 JIGE CCN(CCOCCBr)C(=O)c1cc(Br)c(Br)s1 310678854 QYBPJQNQUIUYJF-UHFFFAOYSA-N 464.017 4.147 50 10 JIGE C[C@@H](CCCBr)CNS(=O)(=O)c1cc(Br)ccc1Br 384803986 ZAPVMKGVOXTIEH-VIFPVBQESA-N 478.044 4.301 50 10 JIGE C[C@H](OC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1)C(=O)N(C)C1CCCCC1 761396128 BYORDCSTQBIDLD-JIVYGXRASA-N 459.550 4.094 50 10 JIGE COc1ccc(CCC(=O)NN=C2C(=O)N(Cc3ccccc3Cl)c3ccccc32)c(O)c1 1084024452 SOLZKIVKWHEIOX-UHFFFAOYSA-N 463.921 4.054 50 10 JIGE CC(=O)c1ccc(S(=O)(=O)NCC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)cc1 1296092860 JABCHVCHZAZWQC-UHFFFAOYSA-N 458.430 4.464 50 10 JIGE Cc1c(C(=O)Nc2ccc(Cl)cn2)oc2c1C(=NNC(=O)c1cccc([N+](=O)[O-])c1)CCC2 1772745824 JBQSBWLRBMBOSS-UHFFFAOYSA-N 467.869 4.267 50 10 JIGE COc1cccc(C(=O)NN=C2CCCc3oc(C(=O)N4CCN(c5ccccc5)CC4)c(C)c32)c1 1772749479 LWXJMTDCZVUSBP-UHFFFAOYSA-N 486.572 4.029 50 10 JIGE CCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865705185 OEXBUMYURZYQCR-QHCPKHFHSA-N 463.497 4.267 50 10 JIGE COc1cc(/C=N/NC(=O)CCc2nc3ccccc3[nH]c2=O)ccc1OCc1ccccc1Cl 1873496534 XEZREXMEZMORGG-RWPZCVJISA-N 490.947 4.247 50 10 JIGE CN(C[C@H]1C[C@H]1Br)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 1887909186 ZNNZXIPQUKUQOW-HTRCEHHLSA-N 451.995 4.160 50 10 JIGE C[C@@H](Br)[C@H]1CCCN1c1ncc(I)cc1Br 1990075949 UEAKXNAJILUOBQ-GMSGAONNSA-N 459.951 4.201 50 10 JIGE O=C(N[C@H](CCBr)C1CC1)c1cc(Br)ccc1I 2029972078 NJTHZCASQLFTCZ-GFCCVEGCSA-N 486.973 4.347 50 10 JIGE C[P@]1(=O)C[C@H](Br)[C@H](NC(=O)c2scc(Br)c2Br)C1 2057716902 DQDYWKACIUVBRR-BBAQMYCGSA-N 479.956 4.142 50 10 JIGE C[C@H](Br)[C@H]1CCCN1C(=O)c1cc(Br)ccc1I 2073320120 KOJNCJRFQHAJJG-QPUJVOFHSA-N 486.973 4.442 50 10 JIGE Cc1csc(CBr)c1S(=O)(=O)N1CCC[C@H](N(C)Cc2ccccc2)C1 2123237838 RDIGNUXABGYKBF-KRWDZBQOSA-N 457.459 4.237 50 10 JIGE O=C(NC[C@@H](Cl)CC(F)(F)F)c1ccc(Br)cc1I 2142292503 UXKFHMOYKNDAHT-ZETCQYMHSA-N 470.454 4.343 50 10 JIGE CN(Cc1cnn(Cc2ccccc2)c1)S(=O)(=O)c1ccc(CBr)c(Cl)c1 2179776523 VKHOHBQRLVEAEB-UHFFFAOYSA-N 468.804 4.300 50 10 JIGE COc1cc(C[C@H](Br)CN2C(=O)c3ccccc3C2=O)sc1Br 2242462222 BEXNARPMAZLZOV-VIFPVBQESA-N 459.159 4.121 50 10 JIGE N#CC(=Cc1cc(Br)ccc1OCc1ccccc1C#N)C(=O)NC[C@@H]1CCCO1 2293601516 FKENRAWSTGDPGJ-NRFANRHFSA-N 466.335 4.102 50 10 JIGE COc1ccc(CNC(=O)C(C#N)=C2N=C(NC(=O)c3ccc(Cl)cc3)c3ccccc32)cc1 2296532769 YPEMFUBTMOXCBF-UHFFFAOYSA-N 470.916 4.090 50 10 JIGE O=C(N[C@H]1C[C@@H](CBr)[C@H]2C[C@H]12)c1cc(Br)c(Br)s1 2309229896 BOHHFUZBMIEUGW-XQXXSGGOSA-N 458.013 4.422 50 10 JIGE Cc1ccc(N2C(=O)[C@@H](C=C(C#N)C(=O)Nc3cccc(Cl)c3Cl)C(=O)NC2=S)cc1C 2313571304 RWOLVBXWADLKNU-HNNXBMFYSA-N 487.368 4.063 50 10 JIGE COc1cc(C=NNC(=O)CSc2nc(O)c3c(-c4ccccc4)csc3n2)ccc1O 2320486438 PNNGBYYJOCYBKC-UHFFFAOYSA-N 466.544 4.021 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1[C@H]2CC[C@@H]1[C@@H](CCl)C2 2329071295 LTEIAXBWJVIUPR-GBIKHYSHSA-N 454.533 4.286 50 10 JIGE Clc1ccc(CN2[C@H](CBr)C[C@H]3OCC[C@@H]32)c(I)c1 2341032773 PDHFWANYOTZJHC-FPMFFAJLSA-N 456.549 4.071 50 10 JIGE Cc1ncnc(N2CC[C@@H](C3CCC(Br)CC3)C2)c1I 2381255981 LBJRFBXZOQICDS-OTTFEQOBSA-N 450.162 4.170 50 10 JIGE BrC[C@]12CCCC[C@H]1N(Cc1ncc(I)cn1)CCC2 2381293291 MNIXJJPAXGWXRY-UKRRQHHQSA-N 450.162 4.001 50 10 JIGE C/C(N)=C(/C#N)C(=O)COC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 9662845 VLSPVMCKRSKVPY-OPYITDSMSA-N 491.345 4.184 50 10 JIGE COc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C3\CCCCc4ccccc43)c2)cc1 12649388 RVAYHIMDOUSEOI-SHHOIMCASA-N 463.559 4.357 50 10 JIGE O=C(NNC(=O)c1ccc(OCCOc2ccccc2)cc1)c1ccc(NC(=O)c2ccccc2)cc1 14039521 ZUQSZZOISGGMHK-UHFFFAOYSA-N 495.535 4.472 50 10 JIGE Cc1cc(Br)cc(C)c1O[C@@H](C)C(=O)NNC(=O)COc1ccc2ccccc2c1 14643072 YXCUXVBUSZUZJL-INIZCTEOSA-N 471.351 4.213 50 10 JIGE CCCOc1ccc(C(=O)NNC(=O)COc2ccc3ccccc3c2)cc1Br 14647276 YFTGBPDSNOHATM-UHFFFAOYSA-N 457.324 4.231 50 10 JIGE COc1cc(/C=C(/C#N)C(=O)NC[C@@H]2CCCO2)cc(Br)c1OCc1ccccc1 33343291 XIVIEAFPHLGOLY-UDKWZTAFSA-N 471.351 4.239 50 10 JIGE C[C@H]1CN(C(=O)CCN2CCc3sccc3[C@@H]2c2ccccc2)CCN1C(=O)C(C)(C)CCl 34830103 QMMRZULEQMFXOA-CYFREDJKSA-N 488.097 4.410 50 10 JIGE COc1cc(/C=N/NC(=O)COc2ccccc2-c2ccccc2)cc(Br)c1O 36289545 HFKFLSAKQLOTKZ-ZMOGYAJESA-N 455.308 4.359 50 10 JIGE O=C(CCCc1c(-c2ccccn2)[nH]c2ccc(Cl)cc12)NNC(=O)COc1ccccc1 39852765 RVRLHAJNJHXTBL-UHFFFAOYSA-N 462.937 4.432 50 10 JIGE Cc1c(C(=O)NCc2ccccn2)oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2 40812820 PGXSVQGTPBDPDO-OVVQPSECSA-N 481.350 4.146 50 10 JIGE CCCOc1ccccc1/C=C(\C#N)C(=O)Oc1ccc(/C=C(/C#N)C(=O)OCC)cc1OC 206989071 PEVLZMDLTRTCRS-MYTRHGCZSA-N 460.486 4.467 50 10 JIGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc(O)cc3O)cc2OC)cc1 254897325 LKLFGPHWIVZCHK-UHFFFAOYSA-N 478.501 4.268 50 10 JIGE ClCc1cnc(-n2cnc(I)c2I)c2ccccc12 302375473 DAZJVDJFBZSAJM-UHFFFAOYSA-N 495.489 4.369 50 10 JIGE CC1(C)O[C@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](n3ccc4c3NC(=N)N[C@H]4Cl)[C@@H]2O1 616585160 HNXBSOSHEWZABA-JRBZFYFNSA-N 457.047 4.115 50 10 JIGE CC[C@H](C[C@@H](C)Br)NS(=O)(=O)c1cc(Br)ccc1Br 716937874 YBEBQNKHVUWTSI-PSASIEDQSA-N 478.044 4.442 50 10 JIGE CCOc1cc(C=NNC(=O)c2ccccc2C(F)(F)F)cc(I)c1O 1081105104 YMAHJOMKGNCHOY-UHFFFAOYSA-N 478.208 4.178 50 10 JIGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 1084300286 KGLFGPADCRRTBN-HXUWFJFHSA-N 494.460 4.268 50 10 JIGE Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1C=NNC(=O)CSCc1ccc(Cl)cc1 1084617510 CYWRDMDAOCZXRH-UHFFFAOYSA-N 457.943 4.434 50 10 JIGE C/C(=C\c1ccc(OC(F)(F)F)cc1)C(=O)NNc1ccc(S(=O)(=O)C(F)F)cc1 1137651929 VDCJPLQIHYERQF-ZHACJKMWSA-N 450.385 4.128 50 10 JIGE CC(C)(C)OC(=O)N1C[C@H](CI)[C@H](c2ccc(F)c([N+](=O)[O-])c2)C1 1614697157 ZRCCILOZNVZVTL-RYUDHWBXSA-N 450.248 4.119 50 10 JIGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@H](c2ccccn2)C(C#N)=C(N)O3)cc1 1865699739 BEBSUJISTPJVBP-QFIPXVFZSA-N 453.477 4.359 50 10 JIGE CCc1cccc(C)c1N1C[C@@H](C(=O)NNC(=O)c2ccc(-c3ccc(Cl)cc3)nc2C)CC1=O 1865755517 CDHUVCIZZPETPP-FQEVSTJZSA-N 490.991 4.395 50 10 JIGE O=C(Cn1c(O)nc2ccccc2c1=O)N/N=C/c1cccc(OCc2c(Cl)cccc2Cl)c1 1873792642 LSZQUFGOHABQFZ-KKMKTNMSSA-N 497.338 4.138 50 10 JIGE O=C(Cc1ccccc1I)N[C@H](CBr)CC1CCCC1 1926720260 GACXWWYKTRYBCL-AWEZNQCLSA-N 450.158 4.294 50 10 JIGE CC[C@@H]1[C@H](CBr)CCN1c1ncc(I)cc1Br 2015758922 OGDZQTTWCBRLMS-GZMMTYOYSA-N 473.978 4.449 50 10 JIGE O=S1(=O)CCC[C@H]([C@H](Br)c2cc(Br)ccc2Br)C1 2029373222 ASXJECGDBLMVNS-UFBFGSQYSA-N 461.013 4.472 50 10 JIGE CCOC(=O)Cc1ccc(I)c(C(F)(F)F)c1CBr 2055276877 HFNDUFFAANLWLO-UHFFFAOYSA-N 451.020 4.311 50 10 JIGE C[C@]1(NC(=O)c2cc(I)ccc2Br)CCC[C@@H]1Br 2062574540 TWGGXJXBRKICKB-AAEUAGOBSA-N 486.973 4.490 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1C[C@H](Br)[C@H](C2CC2)C1 2090685447 PEZJPTTVZLJPCW-QWRGUYRKSA-N 454.533 4.190 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CC[C@@H](Cl)CC12CC2 2113587558 XXQKULMSUMDMIJ-SNVBAGLBSA-N 454.533 4.430 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@H]2CC(Br)C[C@@H]2C1 2128655094 PIZOQGRGOWPHSA-RKDXNWHRSA-N 498.984 4.299 50 10 JIGE CN(C[C@H](Br)COCc1ccccc1)C(=O)c1cc(Br)ccc1[N+](=O)[O-] 2129199238 KQOKNWSKFFTDMB-HNNXBMFYSA-N 486.160 4.410 50 10 JIGE O=C(c1ccc(F)cc1I)N1CC[C@@H]2C[C@@H](Br)CC[C@@H]21 2143971260 FYPCURCBGVXYBD-BFVZDQMLSA-N 452.105 4.208 50 10 JIGE CS[C@H]1CCC[C@H]1N(C)S(=O)(=O)c1cc(CBr)sc1Br 2179787288 MRQJLNJYLYMNNP-ZJUUUORDSA-N 463.282 4.310 50 10 JIGE Cc1c(CBr)cccc1S(=O)(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1 2179796049 ZAUAUMVIKXGHGC-QGZVFWFLSA-N 451.430 4.033 50 10 JIGE O=S(=O)(c1cc(CBr)n(C2CC2)c1)N(Cc1ccccc1)C[C@@H]1CCCO1 2179857932 GTYINALQGKIMAA-IBGZPJMESA-N 453.402 4.088 50 10 JIGE Cc1cc(CBr)cc(S(=O)(=O)N(C)C[C@H]2C[C@@H]2Br)c1Br 2196934077 DGVWGINSNMTXMT-MNOVXSKESA-N 490.055 4.056 50 10 JIGE O=C(NC[C@H]1CCC[C@H]1CBr)c1ccc(Cl)c(I)c1 2268355802 FRGNLAKPQJBANN-WDEREUQCSA-N 456.549 4.486 50 10 JIGE N#CC(C(=O)NCc1ccco1)=C1S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(F)cc1 2293039149 ITLFBPSWUIPPLN-OAQYLSRUSA-N 465.481 4.300 50 10 JIGE CCCc1cc(C(=O)OC)c(NC(=O)C(C#N)=Cc2c[nH]nc2-c2ccc(OC)cc2)s1 2295347903 RGUZNSWONVQJRG-UHFFFAOYSA-N 450.520 4.432 50 10 JIGE CCOc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OS(=O)(=O)c1ccccc1 2313541129 VCSXFOZVNYZCCD-UHFFFAOYSA-N 462.527 4.076 50 10 JIGE N#CC(=C(O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2ccc(Cl)cc2)cs1 2331300555 PPVFJEFURANVNF-UHFFFAOYSA-N 466.862 4.461 50 10 JIGE Br[C@H](c1ccccc1)c1cn(Cc2sccc2I)nn1 2364024695 PCLBIHDLJOPNJW-CQSZACIVSA-N 460.138 4.477 50 10 JIGE CCCCCCOc1ccc(C(=O)NNC(=O)c2ccc(OC)c(I)c2)cc1 14025412 IBQXIRHQQMQLPI-UHFFFAOYSA-N 496.345 4.334 50 10 JIGE CCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1cccc2ccccc12 14036219 CEDHVYRCELYLEP-UHFFFAOYSA-N 465.575 4.123 50 10 JIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(C)c4)ccc32)cc(OC)c1OC 38660431 ONYZIULTGAUJOZ-DEOSSOPVSA-N 472.497 4.458 50 10 JIGE COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(C)c(C)c1 40878313 QIXCMHPMKQDXCI-UDWIEESQSA-N 460.486 4.113 50 10 JIGE CCCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 40948957 AEIWNVXZXCKLEK-SAPNQHFASA-N 468.560 4.278 50 10 JIGE CCCCC1CCC(C(=O)Oc2ccc(/C=C(\C#N)C(=O)N3CCOCC3)cc2OC)CC1 41018321 DPFJUWJUQAJHRZ-CJLVFECKSA-N 454.567 4.363 50 10 JIGE C[C@H]1CN(C(=O)/C(C#N)=C2/N=C(NC(=O)c3ccc(C(C)(C)C)cc3)c3ccccc32)C[C@@H](C)O1 102673588 OQLTXKHFUZXREN-CAMQCACHSA-N 470.573 4.045 50 10 JIGE CCCOc1ccc(/C=C2\C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1OCC 214389330 JQXAMYMNKXYDKF-JAIQZWGSSA-N 474.513 4.395 50 10 JIGE CCc1ccc(C=NNC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2C)cc1 254571429 VUXPXEBOWMXVPE-UHFFFAOYSA-N 456.571 4.499 50 10 JIGE Cc1ccc(C=NNC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCCC4)o1 254845511 WISAWFNNRUTCTN-UHFFFAOYSA-N 478.599 4.470 50 10 JIGE C[C@H]1CCCN(S(=O)(=O)c2cc(Br)ccc2Br)[C@H]1CBr 688617836 MHJABFKWBCCYDO-CABZTGNLSA-N 490.055 4.396 50 10 JIGE C[C@@H]1CN(C(=O)c2cc(Br)ccc2I)C[C@]1(C)CCl 694699217 GFMRUOVWUDEVCR-OTYXRUKQSA-N 456.549 4.391 50 10 JIGE C[C@H]1C[C@@H](Br)CCN1C(=O)c1cc(Br)ccc1I 705612897 QTGRLEANTYCWJJ-WPRPVWTQSA-N 486.973 4.442 50 10 JIGE CC1(C)[C@H](Br)CCN1C(=O)c1ccc(I)c(Br)c1 721612187 HVNOXIDRHUWSMR-LLVKDONJSA-N 486.973 4.442 50 10 JIGE Cc1ccc(NS(=O)(=O)c2ccc(CBr)cc2)c(I)c1 1260509738 IKJQOFGWGLYDSW-UHFFFAOYSA-N 466.138 4.295 50 10 JIGE C=CCc1ccc(OCC(=O)NNc2nnc(-c3ccccc3)n2-c2ccccc2)c(OC)c1 1292871100 HWHKOUPSBNFQFO-UHFFFAOYSA-N 455.518 4.194 50 10 JIGE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NNC(=O)c1cc(-c2ccc(C)c(C)c2)[nH]n1 1567129475 RYPUYBYIFYGYOS-UHFFFAOYSA-N 458.440 4.352 50 10 JIGE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NN=c1cc[nH]c(C)c1 1585314226 XHAYDQMHZVYISW-RUZDIDTESA-N 456.546 4.129 50 10 JIGE C[C@@H]1C[C@H](Br)[C@H](Br)C[C@@H]1[C@H](Br)C(Br)=[N+]([O-])O 1615947816 JUPMDFYGLRIECU-HNEXDWKRSA-N 486.824 4.016 50 10 JIGE CCOc1cc(C=NNC(=O)c2ccc(C)cc2)ccc1OC(=O)c1ccc(OC)c(OC)c1 1772720006 BXFAMJHCFKAKJL-UHFFFAOYSA-N 462.502 4.394 50 10 JIGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2Cl)c1O 1865684248 OMFHARPVPNWOQF-HNNXBMFYSA-N 462.815 4.477 50 10 JIGE C[C@]1(CBr)CCN1C(=O)c1cc(I)ccc1Br 1947977480 NSLQEXDQDBWHNB-GFCCVEGCSA-N 472.946 4.053 50 10 JIGE CC(C)[C@H](CCl)N(Cc1ccccc1)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 1978675957 HOTYDVJJYBOOSU-URXFXBBRSA-N 495.016 4.106 50 10 JIGE CCOC(=O)c1c(C)[nH]c(C(=O)C(C#N)=Cc2cc(OC)c(OC)cc2Br)c1C 2040447198 QDUNSHWLOIAWLF-UHFFFAOYSA-N 461.312 4.378 50 10 JIGE CC(C)(C)OC(=O)N1CCC(CI)(O[C@H]2CCOC3(CCC3)C2)CC1 2076740669 JYCKOIIVBDDNGI-HNNXBMFYSA-N 465.372 4.309 50 10 JIGE O=C(NCC1(F)CC(CCl)C1)c1ccc(Br)cc1I 2142289460 ZRXFYFJBQKVBFS-UHFFFAOYSA-N 460.512 4.141 50 10 JIGE O=S(=O)(c1cc(F)ccc1CBr)N1CCCN(Cc2ccccc2)CCC1 2179790142 ZYTVXGUIHPAMJP-UHFFFAOYSA-N 455.393 4.007 50 10 JIGE Cc1sc(CBr)cc1S(=O)(=O)N1C[C@@H]2CN(Cc3ccccc3)C[C@]2(C)C1 2179820784 BYPBXMJBANMBFC-FXAWDEMLSA-N 469.470 4.094 50 10 JIGE CC(C)(C)[C@H]1[C@H](Br)CCN1C(=O)c1ccc(I)c(O)c1 2185100221 OEFNAVQRPCHLOZ-ZWNOBZJWSA-N 452.130 4.021 50 10 JIGE CC1(C)CN(C(=O)Cc2ccccc2I)C[C@@H]1CCBr 2238473906 ZTIQKEDGLNAGPZ-ZDUSSCGKSA-N 450.158 4.103 50 10 JIGE O=C(NCC1(F)CC(CBr)C1)c1ccc(Cl)c(I)c1 2268351776 HKAMENLIDYHIEG-UHFFFAOYSA-N 460.512 4.188 50 10 JIGE N#CC(C(N)=O)=C1S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(Br)cc1 2293039100 CIOOGNNGWLECNH-INIZCTEOSA-N 462.756 4.014 50 10 JIGE COC(=O)c1cc(NC=C(C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc(C(=O)OC)c1 2296073514 LULDTTZJFPANNM-UHFFFAOYSA-N 464.459 4.268 50 10 JIGE N#CC(=Cc1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1F 2297551595 SWUQHNXZNIBSQV-UHFFFAOYSA-N 476.376 4.407 50 10 JIGE O=C(c1scc(Br)c1Br)N1CC2(CCOCC2)[C@H]1CBr 2381131968 URUHUGMEYCUDRV-SECBINFHSA-N 488.039 4.289 50 10 JIGE N#C/C(=C\c1ccc2c(c1)OCO2)C(=O)OCC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 3221331 HQWBLHWEGDKQAJ-VCHYOVAHSA-N 488.883 4.389 50 10 JIGE N#C/C(C(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1)=C1/NN=C2CCCCCN21 9439535 VCQUCNCESVVZJO-HIXSDJFHSA-N 487.564 4.262 50 10 JIGE COc1cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(F)c2)cc(OC)c1OC 38677994 PETPKVFGQRNIKM-HSZRJFAPSA-N 476.460 4.289 50 10 JIGE C[C@@H](SCc1ccccc1)C(=O)N/N=C1/C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 59152403 FPGMYPMNVBPLCP-AGOQZKINSA-N 474.542 4.284 50 10 JIGE COc1cc(/C=C(\C#N)C2=NN(c3ccccc3)[C@@H](N)[C@@H]2C#N)ccc1OCc1cccc(C(=O)O)c1 59301958 HLJFPZDMRNVKAB-ORDIANMRSA-N 493.523 4.180 50 10 JIGE CC(C)(C)c1ccc(OCCN2C(=O)C(=NNC(=O)c3ccccc3O)c3ccccc32)cc1 245263933 BPWRTBMROFOYMX-UHFFFAOYSA-N 457.530 4.249 50 10 JIGE COc1ccccc1-c1cc(C(=O)NN=C(C)c2cccc(NS(C)(=O)=O)c2)c2ccccc2n1 254291169 DKYJYEBDGZVOGE-UHFFFAOYSA-N 488.569 4.436 50 10 JIGE COC1(CBr)CCN(Cc2cc(Cl)ccc2I)CC1 405293915 JPPUUDJZZOYBJJ-UHFFFAOYSA-N 458.565 4.321 50 10 JIGE O=C(c1scc(Br)c1Br)N1CCSC[C@@H]1CBr 707817917 GQKTYBSIEBTDBN-LURJTMIESA-N 464.042 4.226 50 10 JIGE Cc1ccc(N(CC(=O)NN=Cc2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1 1084077692 FRUSJDFAYNDCGT-UHFFFAOYSA-N 475.492 4.359 50 10 JIGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OC 1084446517 MAEAHMCUDXUBBI-QGOAFFKASA-N 470.367 4.112 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)cc2)[C@H]1c1ccc(O)c(O)c1 1865680383 JHLFVJWJUJHPMH-INIZCTEOSA-N 462.815 4.233 50 10 JIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccn2)ccc1OCc1ccccc1 1865687134 KEMJEMPLGXSVCJ-RUZDIDTESA-N 465.513 4.382 50 10 JIGE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1cc(OC)ccc1OC)C(C#N)=C(N)O2 1865693488 WGYJNNQTPFYKDL-OAQYLSRUSA-N 450.926 4.383 50 10 JIGE CCCn1nc(CC)c2c1OC(N)=C(C#N)[C@@H]2c1cc(Br)c(OCC)c(OC)c1 1865697162 OKCPOZQONOPCSD-KRWDZBQOSA-N 461.360 4.243 50 10 JIGE C[C@@H](CCBr)CNC(=O)c1ccc(Br)cc1I 2026215550 APASKRFLRMJTED-QMMMGPOBSA-N 474.962 4.205 50 10 JIGE O=C(CBr)c1cc(Br)c(OC(F)F)c(I)c1 2054814312 VBQXKNCIHWIZSL-UHFFFAOYSA-N 469.845 4.233 50 10 JIGE CN(Cc1ccccc1)[C@H]1CCCCN(S(=O)(=O)c2csc(CBr)c2)C1 2123228206 BDYSOBBIBYJOPS-KRWDZBQOSA-N 457.459 4.318 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@@H]2[C@H](CBr)C[C@H]2C1 2142290044 XKOZHQSUWXTZNC-HOTUBEGUSA-N 498.984 4.157 50 10 JIGE CCn1c(=O)oc2cc([C@@H](Br)c3cc(I)sn3)ccc21 2176541605 ZUWOZRWRHFSLJC-GFCCVEGCSA-N 465.110 4.160 50 10 JIGE O=C(c1ccc(I)cc1)N1C[C@]2(F)CCC[C@@]2(CBr)C1 2176629247 AASIDCGKVPBFKI-HUUCEWRRSA-N 452.105 4.021 50 10 JIGE Cc1cc(CBr)ccc1S(=O)(=O)N1CCN(Cc2ccccc2)C(C)(C)C1 2179788349 BDSVPQGALAALJV-UHFFFAOYSA-N 451.430 4.175 50 10 JIGE CC(C)(C)OC(=O)N1CC[S@@](=O)(=NC(=O)c2ccc(CBr)cc2)C(C)(C)C1 2189325861 XABBUSXXDCEFIY-MHZLTWQESA-N 459.406 4.219 50 10 JIGE COC1([C@@H](Br)c2cc(I)cc3c2OCC3)CC(CF)C1 2281094720 VWNSLJNXGGRLMK-WOFGGDGOSA-N 455.105 4.427 50 10 JIGE O=C(N[C@H]1C[C@H](CBr)[C@H]2C[C@@H]12)c1ccc(Br)cc1I 2333351044 NOSCAKRKTCKVCK-OSWAYODCSA-N 498.984 4.203 50 10 JIGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(OC)cc1 14648226 XEZYLBATDQSBBV-UHFFFAOYSA-N 479.371 4.257 50 10 JIGE Cc1cc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Br)cc2)CCC3)no1 40811820 DNDMVFAISXGXNB-BUVRLJJBSA-N 471.311 4.370 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N[C@@H]2CCC[C@@H]2Br)cc1Br 158614013 ITZUKAKCOGSRJM-GZMMTYOYSA-N 476.028 4.114 50 10 JIGE COc1cc(C=NNC(=O)COc2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1ccco1 254342522 KDGLZELHRILPJL-UHFFFAOYSA-N 450.491 4.334 50 10 JIGE C[C@@H]1[C@H](Br)CCCN1C(=O)c1cc(Br)ccc1I 384227202 FOJWUCFUKWQGRG-LDYMZIIASA-N 486.973 4.442 50 10 JIGE CNC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)/C(C#N)=C/c2cc(C)n(-c3ccccc3F)c2C)c1 853245017 HKQYJADKSSWCNX-KOMLCTQHSA-N 488.519 4.070 50 10 JIGE COc1cc([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)ccc1[N+](=O)[O-] 1614631956 XMDMOMRPBYQQPX-IAGOWNOFSA-N 496.301 4.391 50 10 JIGE CC(=O)c1ccc(Br)c(NC(=O)NNc2cc(C#N)ccc2Br)c1 1664275266 KVNFLLIUNDXIAR-UHFFFAOYSA-N 452.106 4.434 50 10 JIGE CCN(CC)Cc1ccc(/C=N/NC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc1 1860772615 BMCJSBLFRBWBBX-WKULSOCRSA-N 487.629 4.426 50 10 JIGE Cc1ccc(C)c(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccc(O)cc2O)c1 1865681186 HFBNRDKFOVOMMH-GOSISDBHSA-N 456.424 4.196 50 10 JIGE CCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3C)cc1OC 1865692806 PKGPQQWKSHLOCO-KRWDZBQOSA-N 461.360 4.151 50 10 JIGE COc1ccc(OCCCC(=O)NNC(=O)c2ccc(-c3ccc(Cl)cc3)nc2C)cc1 1865755828 RQROLVJEVLRHDQ-UHFFFAOYSA-N 453.926 4.339 50 10 JIGE CCc1cccc(CC)c1N1C[C@@H](C(=O)NNC(=O)c2ccc(SCC(C)C)cc2)CC1=O 1865758133 LBMCJZGKPHXEKL-NRFANRHFSA-N 467.635 4.374 50 10 JIGE COc1ccccc1NCCC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1 1866888721 XIKGCJHIHZIRSH-HSZRJFAPSA-N 490.585 4.142 50 10 JIGE C[C@H](CCBr)N(Cc1ccccc1)Cc1ncc(I)cn1 1893721241 ZYKDWBPXMJTFMK-CYBMUJFWSA-N 460.157 4.257 50 10 JIGE CC1([C@@H](Br)c2sc(Br)cc2Br)CS(=O)(=O)C1 1922907312 SFQIRSPQGQAGPO-QMMMGPOBSA-N 453.015 4.144 50 10 JIGE CCN1CC[C@@H]([C@H](Br)c2cc(Br)sc2Br)S1(=O)=O 2029062420 RGYOGRAXHJEYLO-IONNQARKSA-N 482.057 4.133 50 10 JIGE CCC(CC)(CCl)S(=O)(=O)c1ncc(I)cc1Br 2069536071 PNNPWYCRRWYWNI-UHFFFAOYSA-N 466.566 4.020 50 10 JIGE Cc1ccc(O)c(-n2nc(CBr)c(I)c2C(F)(F)F)c1 2079259604 ZBAZMRLIYKBOIB-UHFFFAOYSA-N 461.019 4.405 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CCC12CC(CCl)C2 2104558308 XFMFIVQBDRKIOW-UHFFFAOYSA-N 454.533 4.287 50 10 JIGE CC(C)(C)OC(=O)Nc1ccc(NS(=O)(=O)N2CCC(Br)CC2)c(Cl)c1 2106297353 FLWAUCGRABPMRH-UHFFFAOYSA-N 468.801 4.203 50 10 JIGE C[C@@H]1CN(C(=O)c2ccc(Br)cc2I)CC[C@@H]1CCl 2142285256 NPOKFEGOUDLWAG-NXEZZACHSA-N 456.549 4.391 50 10 JIGE O=S(=O)(C[C@@H](Br)c1cc(Cl)ccc1I)N1CCCCC1 2145638094 ZGKYYTKJJNNDNU-GFCCVEGCSA-N 492.604 4.196 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@H](Br)CC12CCC2 2155605810 HCZRHRWZLNDLSC-SNVBAGLBSA-N 488.039 4.292 50 10 JIGE Cc1sc(C)c(S(=O)(=O)N(C)[C@H](CCBr)C(F)F)c1Br 2178519591 BKIWZUQCFYQJCE-MRVPVSSYSA-N 455.184 4.167 50 10 JIGE CS[C@@H]1CCCCN(S(=O)(=O)c2cc(CBr)sc2Br)C1 2179787744 TWSAIFVQUNVJFB-SECBINFHSA-N 463.282 4.312 50 10 JIGE CN([C@@H]1CN(Cc2ccccc2)C(C)(C)C1)S(=O)(=O)c1ccccc1CBr 2179807952 BNKNNLWJXWPFKL-IBGZPJMESA-N 451.430 4.255 50 10 JIGE Cc1csc(CBr)c1S(=O)(=O)N1CC[C@H]2CN(Cc3ccccc3)C[C@H]2C1 2179815160 KBMGNKIPVCHUIK-ROUUACIJSA-N 469.470 4.094 50 10 JIGE Cc1nn(CCCBr)c(C)c1S(=O)(=O)N(Cc1ccccc1)[C@H](C)C1CC1 2179826488 SNTCIEGIJNOENX-MRXNPFEDSA-N 454.434 4.274 50 10 JIGE CN([C@H]1CC[C@@H]1OCc1ccccc1)S(=O)(=O)c1cc(CBr)cc(F)c1F 2179862612 YSFNBAUTJRVTNG-IRXDYDNUSA-N 460.340 4.228 50 10 JIGE Cc1cc(CBr)cc(S(=O)(=O)N2CCN(Cc3ccccc3)[C@H](C)C2)c1C 2179864064 VYFKKSVAVGVYMX-QGZVFWFLSA-N 451.430 4.093 50 10 JIGE C=C[C@@]1(CBr)COCCN1C(=O)c1cc(Br)ccc1Br 2199848664 NLVJBXITJAJALY-CQSZACIVSA-N 467.983 4.004 50 10 JIGE O=C(c1cc(Br)sc1Br)N1C[C@@H]2CC[C@H](CBr)O[C@@H]2C1 2289185139 DZPHUWMXLBCSJL-QXFUBDJGSA-N 488.039 4.288 50 10 JIGE N#CC(=Cc1cn(CCOc2ccccc2Cl)c2ccccc12)C(=O)N1CCC(C(N)=O)CC1 2297551952 LFPLSWNMVGDMHI-UHFFFAOYSA-N 476.964 4.005 50 10 JIGE O=C(C=Cc1ccccc1Cl)NNC(=O)COc1ccc(Br)cc1Br 2313621205 OIEHGMYUYYWKCY-UHFFFAOYSA-N 488.563 4.105 50 10 JIGE CCCOc1ccc(C=C(C#N)C(=O)Oc2ccc(C=C(C#N)C(=O)NC(C)C)cc2OC)cc1 2314740457 ITLNMHZLYINQHX-UHFFFAOYSA-N 473.529 4.428 50 10 JIGE Clc1ccc(CN2CC[C@@H](OCCCBr)C2)c(I)c1 2341024240 FLCHBEQGQWUOLB-CYBMUJFWSA-N 458.565 4.321 50 10 JIGE CCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccccc1OCc1ccccc1 14037173 VTXHWTVBWUWEEW-UHFFFAOYSA-N 463.559 4.004 50 10 JIGE CCCCOc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(-c3ccccc3)cc2)c1 14041965 VTGBYPIRWOZWDE-UHFFFAOYSA-N 477.586 4.247 50 10 JIGE Cc1ccc2c(c1)/C(=N/NC(=O)CCCCCNC(=O)c1ccccc1)C(=O)N2CCC(C)C 38180267 KWGMULYLLFLAOC-JVCXMKTPSA-N 462.594 4.198 50 10 JIGE Nn1c(SCCCC(=O)N/N=C/c2cccc(Cl)c2)nnc1-c1ccc(Br)cc1 58990534 NWRBYMBQEQXBTI-FSJBWODESA-N 493.818 4.097 50 10 JIGE C=CCc1cc(/C=N/NC(=O)Nc2ccc(Br)c(C)c2)cc(OC)c1OCC(=O)O 59679513 CMKVEPMSLBLKEG-FOKLQQMPSA-N 476.327 4.114 50 10 JIGE N#C/C(=C\Nc1ccc(S(=O)(=O)NC(N)=O)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 102463632 LFJNXQIMWUTLBA-PKNBQFBNSA-N 494.385 4.450 50 10 JIGE Cc1ccccc1CSCC(=O)NN=Cc1ccc(OCC(=O)NC2CCCCC2)cc1 254344091 SWJQNEOXIAXOHY-UHFFFAOYSA-N 453.608 4.206 50 10 JIGE O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)NN=Cc1c[nH]c2ccccc12 254414422 JCBHBUNAUOBVLX-UHFFFAOYSA-N 453.527 4.109 50 10 JIGE O=C(NN=Cc1c(OC(=O)c2ccccc2)ccc2ccccc12)C(=O)Nc1ccc(F)cc1 254520907 PLKTZCWEBOBKBH-UHFFFAOYSA-N 455.445 4.287 50 10 JIGE COc1ccc2cc(C=NNC(=O)CC(=O)NN=Cc3ccc4cc(OC)ccc4c3)ccc2c1 254577096 IHZWPVQAANYSBE-UHFFFAOYSA-N 468.513 4.001 50 10 JIGE CN(C)c1ccc(C=NNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)cc1 254623325 GHKVYTPNQOPXMP-UHFFFAOYSA-N 456.575 4.243 50 10 JIGE O=C(NN=Cc1cccc(O)c1)c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1 254761660 VGZLCUWIEMHFHP-UHFFFAOYSA-N 464.330 4.264 50 10 JIGE COc1ccc(C=NNC(=O)[C@H](C)Oc2ccc(C)cc2Br)cc1Br 256017279 BOCZADQMPKWNHC-LBPRGKRZSA-N 470.161 4.446 50 10 JIGE CC[C@H](NS(=O)(=O)c1cc(Br)ccc1Br)[C@H](Br)CC 313074951 ASHBZXRMGQUZPT-KOLCDFICSA-N 478.044 4.442 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@H]2C[C@H](Br)C[C@H]1C2 721590968 BHAXHHGNOZHHCT-INTQDDNPSA-N 498.984 4.442 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CCC[C@@H](CBr)C1 721606912 BCXZLULSBIFYLS-VIFPVBQESA-N 486.973 4.301 50 10 JIGE N#CCCn1cc(/C=C(/C#N)C(=O)N2CCO[C@@H](c3cccc(F)c3)C2)c(-c2ccccc2)n1 727394238 CVHGVWDBPBEGHZ-OBVMJLIASA-N 455.493 4.110 50 10 JIGE CC1=C(C(=O)NN=Cc2cccc(Br)c2)[C@@H](c2ccc(Cl)cc2)NC(=S)N1 1084427195 HAMPIVULGGRUDO-QGZVFWFLSA-N 463.788 4.046 50 10 JIGE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@@H]2c1cc(Br)c(O)c(OCC)c1 1865688493 TYGBQKISELACKI-ZDUSSCGKSA-N 487.276 4.397 50 10 JIGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@H](c2cccc([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865706439 WTAHSTRIEAAAEK-OAQYLSRUSA-N 466.457 4.069 50 10 JIGE N#C/C(=C\c1cccc(F)c1)C(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 1866129473 VPBDVQNLIVPEFN-ZDGAQAAHSA-N 486.499 4.094 50 10 JIGE CC[C@@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)Nc1ccc(SC#N)cc1 1866878003 QGANVHOZAPAIMW-WOJBJXKFSA-N 467.620 4.131 50 10 JIGE O=C(N[C@@H]1C[C@H](CBr)[C@@H]2C[C@H]12)c1csc(Br)c1Br 2048004298 DONXIIGREFXKJP-UTSKPXGSSA-N 458.013 4.422 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1COC2(CCN(C(=O)OC(C)(C)C)CC2)C1 2061267394 CKUYJICLIGRNFK-KRWDZBQOSA-N 491.720 4.041 50 10 JIGE C[C@@H]1C[C@H](Br)CN(C(=O)c2ccc(Br)cc2I)C1 2086151635 QLLCIUNLGQRXPV-SCZZXKLOSA-N 486.973 4.299 50 10 JIGE CC1(C)[C@@H](Cl)C[C@H]1CNC(=O)c1cc(I)ccc1Br 2097953442 ZBYFBWXUBDOQOI-UFBFGSQYSA-N 456.549 4.437 50 10 JIGE CCN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(CBr)s1 2123233679 HEEAHRYFSJQZGL-UHFFFAOYSA-N 457.459 4.318 50 10 JIGE Brc1cccc(Br)c1CN1CCO[C@@H]2C[C@@H](Br)C[C@@H]21 2128883638 KBUSERHFYLMJAH-QCZZGDTMSA-N 454.000 4.338 50 10 JIGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1C[C@H]2C(CBr)[C@@H]2C1 2146869047 SWDJIIKOCVNYAD-IUCAKERBSA-N 464.006 4.017 50 10 JIGE O=S(=O)(c1csc(CBr)c1)N1CCC2(CCN(Cc3ccccc3)C2)CC1 2179826082 OSZBWYFZKQADDJ-UHFFFAOYSA-N 469.470 4.320 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1C[C@@H](Br)[C@H](C2CC2)C1 2268349323 XDVIETPWWZWXHC-WDEREUQCSA-N 454.533 4.190 50 10 JIGE C[C@@H]1CCN(C(=O)Cc2cc(Br)cc(Br)c2)C[C@@H]1Br 2277937017 RINQWWHIZSJZRY-RNCFNFMXSA-N 454.000 4.386 50 10 JIGE N#CC(C(N)=O)=C1S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(Cl)cc1 2293039139 HZQYEAQYHBMSAG-INIZCTEOSA-N 462.756 4.014 50 10 JIGE COc1cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)ccc1OCC(=O)Nc1ccccc1 2294171961 MQGOKTMDKJRRGX-UHFFFAOYSA-N 494.551 4.460 50 10 JIGE CNC(=O)C(C#N)=C1S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1cccc(OC)c1 2296507214 YOULTQWZHRRETC-SFHVURJKSA-N 462.358 4.174 50 10 JIGE COc1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccccc3F)nc3c(C)cccn3c2=O)cc1 2296720871 KDLSRSJJAQQAKG-UHFFFAOYSA-N 470.460 4.489 50 10 JIGE N#CC(=Cc1ccc(Br)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 2329662196 ASPOAACZZLKLCK-UHFFFAOYSA-N 483.347 4.191 50 10 JIGE CCN(c1ccccc1)S(=O)(=O)c1ccccc1NC(=O)C(C#N)=Cc1ccc(OC)c(OC)c1 2329703095 RLRXPGOBZARRET-UHFFFAOYSA-N 491.569 4.465 50 10 JIGE O=C(N[C@H]1C[C@@H](CBr)[C@H]2C[C@@H]12)c1ccc(Br)cc1Br 2329878594 SPWPYYOPAQTHRE-ODDDBGHMSA-N 451.984 4.361 50 10 JIGE Cc1cc(CCl)nc(OCc2ccc(I)c(Br)c2)n1 2350073459 PAURKKWAOIISDO-UHFFFAOYSA-N 453.505 4.470 50 10 JIGE CC(C)[C@@H](Cl)C(C)(C)CNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2366002723 LTNFTPCBVHRGLN-LJQANCHMSA-N 457.036 4.052 50 10 JIGE O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)Cc1ccc(Cl)cc1 14002209 RFJWWNCJXPSVHV-UHFFFAOYSA-N 474.797 4.070 50 10 JIGE CC(C)c1ccc(OCC(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2)c(Br)c1 14007498 WZZGMTOHKRMRPJ-ZDUSSCGKSA-N 469.763 4.220 50 10 JIGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4C)ccc32)cc(OC)c1OC 38660433 JTXRQDUDQCGOQG-XMMPIXPASA-N 472.497 4.458 50 10 JIGE Cc1nc(C2CC2)nc2sc(C(=O)NNC(=O)c3ccc(COc4ccccc4)o3)c(C)c12 39554780 BSLAOUMOWPOBOC-UHFFFAOYSA-N 462.531 4.432 50 10 JIGE Nc1c(NNC(=O)c2cccc3ccccc23)ncnc1Nc1ccc(I)cc1 40782373 YGNVOBONWQRZPZ-UHFFFAOYSA-N 496.312 4.317 50 10 JIGE COc1cc(/C=C(\C#N)C(=O)NC(C)C)ccc1OC(=O)COc1ccc(C(C)(C)C)cc1 40878818 RWGJWQPXYHWAHU-CPNJWEJPSA-N 450.535 4.409 50 10 JIGE COc1cc(/C=N/NC(=O)CSc2nnc(CCc3ccccc3)n2-c2ccccc2)ccc1O 58987491 QZFHRJRWVSNBSR-WPWMEQJKSA-N 487.585 4.009 50 10 JIGE Nn1c(SCCCC(=O)N/N=C/c2cccc(Cl)c2)nnc1-c1ccccc1Br 58990539 AOGNSYMZUJZZMT-FSJBWODESA-N 493.818 4.097 50 10 JIGE CCOc1cccc(/C=N\NC(=O)c2ccc3[nH]c(Cc4ccc(OC)cc4)nc3c2)c1OC 169925592 AFLRLTHTVHCVDD-YUMHPJSZSA-N 458.518 4.334 50 10 JIGE O=C(NN=Cc1ccc([N+](=O)[O-])cc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 254526824 HCGHWOCKKGRCTC-DEOSSOPVSA-N 460.515 4.133 50 10 JIGE O=C(Cl)c1c(I)ccc(Br)c1I 575687589 VHLNWRZURWTBRU-UHFFFAOYSA-N 471.257 4.037 50 10 JIGE CN(C[C@@H]1CCCCN1Cc1ccccc1)S(=O)(=O)c1ccc(CBr)cc1 720027387 WISJXYALQHXIOK-FQEVSTJZSA-N 451.430 4.257 50 10 JIGE CCCCC(C)=NNC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1 1083911049 BIAFVXYHCQRTQK-UHFFFAOYSA-N 494.455 4.365 50 10 JIGE O=C(NN=Cc1ccc(Cl)c(Cl)c1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1084060645 XSCTWAHWMCMUEA-UHFFFAOYSA-N 474.797 4.198 50 10 JIGE Cc1cc(C=NNC(=O)C(=O)NCCc2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl 1084285310 RNFHPPRDWJJQIM-UHFFFAOYSA-N 457.361 4.210 50 10 JIGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(OC(F)(F)F)c(Cl)c2)cc1 1476787219 WHZACMQUUMVQQH-LLVKDONJSA-N 459.808 4.061 50 10 JIGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@H](c2ccc(O)c(O)c2)C(C#N)=C(N)O3)cc1 1865680727 UOJRXFUOLIIQBE-HSZRJFAPSA-N 484.487 4.375 50 10 JIGE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccc(OC(=O)c2ccc(F)cc2)cc1 1873795565 QUWTVIJJGQUTJL-MOYYISEASA-N 457.502 4.044 50 10 JIGE O=C(c1c(Br)cccc1Br)N1C[C@@H]2CC[C@]2(CBr)C1 1903929705 AVYGECIYFDBCEZ-XPTSAGLGSA-N 451.984 4.459 50 10 JIGE BrCC12CCC(CC1)N2c1ncc(I)cc1Br 2015762304 JHJHDSYAGZXONM-UHFFFAOYSA-N 471.962 4.345 50 10 JIGE CCOC(=O)Cc1cc(CBr)c(Br)cc1I 2054989437 OICYQIMMBMNYBW-UHFFFAOYSA-N 461.919 4.054 50 10 JIGE CCC(CBr)(CBr)NC(=O)c1ncc(Br)cc1Cl 2056941103 ONABLTNJJCOJSI-UHFFFAOYSA-N 463.395 4.166 50 10 JIGE Fc1cc(-n2nc(CBr)c(I)c2C(F)(F)F)cnc1F 2078931490 QTOASDPMYWMDGP-UHFFFAOYSA-N 467.961 4.064 50 10 JIGE O=C(c1cccc(Br)c1Br)N1C[C@@H](Br)[C@@H](C2CC2)C1 2092336536 YUVVYJTVQZUZMD-ZYHUDNBSSA-N 451.984 4.457 50 10 JIGE CN(Cc1ccccc1)[C@@H]1CCN(S(=O)(=O)c2ccc(Br)c(CCl)c2)C1 2095824345 XDCRGQTZWFIRFG-QGZVFWFLSA-N 457.821 4.083 50 10 JIGE O=C(c1ccc(Br)cc1Br)N1C[C@@H]2[C@H](CBr)C[C@H]2C1 2117690521 SPJGQVRJRORNHB-HOTUBEGUSA-N 451.984 4.315 50 10 JIGE O=C(c1sccc1I)N1C[C@@H](CBr)C2(CCCC2)C1 2118596084 BFGZNQOMKPEDBI-SNVBAGLBSA-N 454.171 4.380 50 10 JIGE O=C(N[C@@H]1CC[C@@H]2C[C@]21CBr)c1ccc(Br)cc1I 2142278778 HWSJIPRNTHXJKA-RGZBUGHASA-N 498.984 4.347 50 10 JIGE O=C(N[C@@H]1C[C@H]2C[C@H]1C[C@H]2Cl)c1ccc(Br)cc1I 2142286324 ZANXYKHVPDGFGU-LVNATWPUSA-N 454.533 4.189 50 10 JIGE CCN1CCC[C@H]([C@H](Br)c2cc(Cl)ccc2I)S1(=O)=O 2145757731 GLIAYISLUNDBQT-CHWSQXEVSA-N 492.604 4.195 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1CC[C@H](Br)[C@@H]1C1CC1 2187153268 HSPNFAHQICAYRJ-AAEUAGOBSA-N 488.039 4.148 50 10 JIGE CN(C[C@H](Br)COCc1ccccc1)C[C@H]1CC1(Br)Br 2209113793 NWJBRUJGJSVINW-KGLIPLIRSA-N 470.043 4.405 50 10 JIGE O=C(N[C@H]1C[C@H]2C[C@H]1C[C@H]2Br)c1ccc(Cl)c(I)c1 2268351231 KUIZOUVJXDKHLR-COMAGPEQSA-N 454.533 4.236 50 10 JIGE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)[C@@H](Br)C2CCCC2)C[C@H]1C(F)(F)F 2279304974 SBWQLRDTIGNUGN-IHRRRGAJSA-N 457.331 4.387 50 10 JIGE COCc1ncc2nc(CCl)n(CC3(N(Cc4ccccc4)Cc4ccccc4)COC3)c2n1 2286725620 CWYWULDIOHBVPI-UHFFFAOYSA-N 477.996 4.183 50 10 JIGE CCCOc1cc(Br)c(C=C(C#N)C(=O)NCc2ccc3c(c2)OCO3)cc1OC 2295672286 JCSGVHVNOITNOF-UHFFFAOYSA-N 473.323 4.199 50 10 JIGE CC(C)Cc1ccc(-c2csc(C(C#N)=CNc3ccc(S(=O)(=O)NC(N)=O)cc3)n2)cc1 2296025132 SKTDEPQZUPOQEA-UHFFFAOYSA-N 481.603 4.342 50 10 JIGE O=C(N[C@H]1C[C@@H](CBr)[C@@H]2C[C@H]12)c1cc(Br)c(Br)s1 2309229893 BOHHFUZBMIEUGW-AZRUVXNYSA-N 458.013 4.422 50 10 JIGE CC(C)(C)OC(=O)N[C@@H]1CN(C[C@]2(CBr)CC2(F)F)CC[C@H]1C(F)(F)F 2351885182 GBATXUYCEONRFY-JTNHKYCSSA-N 451.274 4.184 50 10 JIGE Cc1ccc(Cc2nc(N3CCCN(C(=O)[C@@H](C)Cl)CC3)c3c(-c4cccnc4)noc3n2)cc1 34810489 HOGSMTASHDYZEC-GOSISDBHSA-N 490.995 4.245 50 10 JIGE CN(C)c1ccc(NC(=O)CCCl)cc1CN(C[C@@H]1CCCO1)C(=O)c1cccs1 34921671 OGRHKXWRVGGKDS-SFHVURJKSA-N 450.004 4.203 50 10 JIGE Cc1c(C(=O)NNC(C)(C)C)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 40822105 QNVKQPWPGZBKSP-MFKUBSTISA-N 481.380 4.163 50 10 JIGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 40925805 NTXDPBBXUPLGGH-LDADJPATSA-N 461.430 4.029 50 10 JIGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NC[C@H]2CCCO2)c(C)c1 102833201 XEZZGUQBYHJFLU-UJWNWPGJSA-N 456.546 4.449 50 10 JIGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(C)cc1 206730512 KCZNDBMQNIEMOJ-MOSHPQCFSA-N 460.486 4.195 50 10 JIGE CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(Br)cc2)cc1 252622218 NQXDHPUHJYXCDF-JJLMGMJGSA-N 491.389 4.436 50 10 JIGE COc1ccc(-c2cc(C(=O)NN=Cc3ccc(OC)c(COc4ccccc4)c3)[nH]n2)cc1 254396869 ZYFFGRWPIYUFNM-UHFFFAOYSA-N 456.502 4.437 50 10 JIGE COc1cc(C=NNC(=O)c2cc(-c3ccc4c5c(cccc35)CC4)n[nH]2)cc(OC)c1OC 254397165 CIGBFNQPFCVDSU-UHFFFAOYSA-N 456.502 4.118 50 10 JIGE CC(C)(C)OC(=O)N1C[C@@H](CBr)[C@@H](c2cc(I)ccc2N)C1 382709363 GJWBRMCCCJSHNE-MFKMUULPSA-N 481.172 4.219 50 10 JIGE CC1(C)C[C@H](Br)C[C@H](NC(=O)c2ccc(I)c(O)c2)C1 693896698 SHINIZPDXIIMQZ-MNOVXSKESA-N 452.130 4.069 50 10 JIGE CN(Cc1ccccc1)C(=O)N1CCC(C(=O)NNc2ccnc3cc(Cl)ccc23)CC1 729514777 GSZHVMVGXZMIIL-UHFFFAOYSA-N 451.958 4.295 50 10 JIGE N#CCCn1cc(/C=C(/C#N)C(=O)NCCSCc2ccccc2C#N)c(-c2ccccc2)n1 914463416 BSSRYVZAWMHXIT-HAHDFKILSA-N 466.570 4.292 50 10 JIGE CS(=O)(=O)N(CC(=O)NN=Cc1cccc2ccccc12)c1ccc2c3c(cccc13)CC2 1084371189 RDZRULONDLBMNJ-UHFFFAOYSA-N 457.555 4.008 50 10 JIGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3c(C)cccc3C)c2C)S(C)(=O)=O)cc1C 1084657483 OWGMMYQEWWUHGR-UHFFFAOYSA-N 480.634 4.244 50 10 JIGE C#CCCN(CCOC)C(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(Br)cc2)c1C 1588075261 XRXLWQLEELGLBY-HKWRFOASSA-N 454.368 4.262 50 10 JIGE CC[C@H](C)NC(=O)c1oc2c(c1C)C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772747155 LLUPMRMSGGTJSP-QMMMGPOBSA-N 459.362 4.106 50 10 JIGE COc1cc(C=NNC(=O)COc2ccc(Br)cc2C(C)(C)C)cc(OC)c1OC 1772752480 CRNOMEKCTYIAHZ-UHFFFAOYSA-N 479.371 4.302 50 10 JIGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@@H](c2ccc(O)c(O)c2)C(C#N)=C(N)O3)cc1 1865680297 GKZYUWIFPRXZTG-QHCPKHFHSA-N 466.497 4.236 50 10 JIGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(NS(C)(=O)=O)cc3)n2)c(OC)c1OC 1872759406 NMSKCAPTRBJTIY-MNDPQUGUSA-N 487.559 4.157 50 10 JIGE CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1 1873795062 PYSBTPNUXIKANA-AUEUWSLNSA-N 453.539 4.295 50 10 JIGE O=C(NC1CC([C@@H](F)CBr)C1)c1ccc(I)c(Cl)c1 1906453733 RGWOGQPYDWOZPX-AMUVOQDHSA-N 460.512 4.186 50 10 JIGE O=C(Nc1ccc(F)c(CBr)c1)c1cc(I)ccc1O 1924874989 FZWAKQGBCMTXQW-UHFFFAOYSA-N 450.045 4.283 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C1(C)C 1985350948 XYHLAQZZNOCSOR-CVEARBPZSA-N 463.710 4.422 50 10 JIGE Brc1cccc(CNCCOCCCI)c1Br 1997685397 FAROSKGXCDDFOZ-UHFFFAOYSA-N 476.978 4.143 50 10 JIGE CC[C@H]1[C@@H](CBr)CCN1c1ncc(I)cc1Br 2015758923 OGDZQTTWCBRLMS-KCJUWKMLSA-N 473.978 4.449 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@H]2C[C@H]1C[C@H]2Br 2052018459 VCGGSPXLOOSKKZ-POZPLHJXSA-N 484.957 4.052 50 10 JIGE CN(CCOCc1ccccc1)S(=O)(=O)c1cc(Cl)cc(CBr)c1F 2059314572 NCFZPWMLVSUCGM-UHFFFAOYSA-N 450.757 4.211 50 10 JIGE N#CC(=C1N[C@](c2ccccc2)(C(F)(F)F)[C@@H](C(=O)c2ccc3c(c2)OCO3)O1)c1ccccn1 2059835871 BCAPTEXZKPYRAM-VWNXMTODSA-N 479.414 4.332 50 10 JIGE O=C(CBr)c1ccc(OC(F)(F)F)c(I)c1OC(F)F 2060372581 FJTXTCKCDVDRIM-UHFFFAOYSA-N 474.945 4.369 50 10 JIGE COc1c(C)ccnc1-n1nc(CBr)c(I)c1C(F)(F)F 2078914975 BCHAUUPFFXWGGT-UHFFFAOYSA-N 476.034 4.103 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1CC[C@@H]2[C@H](CBr)[C@H]2C1 2093139092 ZNKASWQZJWGAAM-VWYCJHECSA-N 454.533 4.048 50 10 JIGE CN(C(=O)c1ccc(I)c(Cl)c1)[C@@H](CCBr)C(F)F 2121994312 GMSICVGVLGWJHO-JTQLQIEISA-N 466.491 4.435 50 10 JIGE C[C@H]1C[C@@H](CCl)CN(C(=O)c2ccc(Br)cc2I)C1 2142286663 GNOHMPQTBIJTNI-UWVGGRQHSA-N 456.549 4.391 50 10 JIGE Cc1ccc(S(=O)(=O)N(C)C2CCN(Cc3ccccc3)CC2)cc1CBr 2179776006 PUWYNTWNSBBUOS-UHFFFAOYSA-N 451.430 4.175 50 10 JIGE C[C@@H]1CN(S(=O)(=O)c2ccc(CCBr)s2)[C@H](C)[C@@H](C)N1Cc1ccccc1 2179823522 KPNSBXMAPSEPEM-BRWVUGGUSA-N 471.486 4.358 50 10 JIGE Cc1cc(C)c(S(=O)(=O)N2CCN(Cc3ccccc3)[C@@H](C)C2)cc1CBr 2179859875 KCFPVBWKRHJONF-SFHVURJKSA-N 451.430 4.093 50 10 JIGE CN(CC1CC(Br)C1)S(=O)(=O)c1ccc(CBr)c(Br)c1 2196928932 YZXIJBYYWCUALK-UHFFFAOYSA-N 490.055 4.138 50 10 JIGE COc1ccc([C@@H](Br)c2c(Br)cnn2C)cc1I 2257366710 DXYLPIHRKNNWEM-LLVKDONJSA-N 485.945 4.280 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N1CC[C@@H](CCBr)C1 2277920433 QBEWLVJSPZBTRJ-SNVBAGLBSA-N 454.000 4.388 50 10 JIGE COc1cc(C(=O)N/N=C2\C(=O)N(Cc3ccccc3Cl)c3ccccc32)cc(OC)c1OC 9390502 LPXBNJDBEWFGDH-QYQHSDTDSA-N 479.920 4.047 50 10 JIGE COc1cc(/C=C(\C#N)C(N)=O)ccc1OC(=O)COc1ccc(C(C)(C)c2ccccc2)cc1 40879694 HKNHDYFHDBRJPE-HMMYKYKNSA-N 470.525 4.398 50 10 JIGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(-c3cc([N+](=O)[O-])ccc3OC)o2)cc1 58894741 KJMNEBZHHHZHQY-QEMKNDADSA-N 467.478 4.226 50 10 JIGE O=C(N/N=C(/CSc1nc2ccccc2[nH]1)c1ccc([N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 59460603 PVNXSEZXBKTWON-QQTULTPQSA-N 476.474 4.306 50 10 JIGE O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)N/N=C/c1ccc(I)cc1 59507153 OJZGXQUHWHZJJC-QGMBQPNBSA-N 498.327 4.052 50 10 JIGE CCOc1ccc(C(=O)NNC(=O)Cc2c(C)nn(-c3ccc(Cl)cc3Cl)c2C)cc1 71925095 RWKICBNQVLQGOG-UHFFFAOYSA-N 461.349 4.198 50 10 JIGE COc1cc(OC)c(OC)cc1C=NNC(=O)COc1ccc2ccccc2c1Br 252618589 LIANYZJJEKJXTJ-UHFFFAOYSA-N 473.323 4.157 50 10 JIGE COc1cc(C(=O)NN=Cc2c(C)c(C(=O)c3ccc(F)cc3)n3ccccc23)cc(OC)c1OC 254303703 PRPXHWSNGMRZRL-UHFFFAOYSA-N 489.503 4.408 50 10 JIGE COc1cccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)c1O 394535337 NNAYSEINPDGMFJ-DOTOQJQBSA-N 467.303 4.188 50 10 JIGE C[C@@H](Br)C[C@@H]1CCCCCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703967441 AAQHIUWEUSOZGY-SJORKVTESA-N 499.471 4.057 50 10 JIGE CC[C@H](CBr)N(C)C(=O)c1ccc(I)c(Br)c1 721579309 RFYCKXHNKZUVJW-SECBINFHSA-N 474.962 4.299 50 10 JIGE O=C(CCCC(=O)Nc1cccc(Br)c1)NN=Cc1ccc(Br)cc1 1083954548 OKYVIOULRMTHGF-UHFFFAOYSA-N 467.161 4.471 50 10 JIGE CCOc1ccc(C=NNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084257350 QLHYQKROPZRJQG-UHFFFAOYSA-N 485.993 4.393 50 10 JIGE CCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1cc(OC)c(OC)cc1OC)C(C#N)=C(N)O2 1865711884 KTGFWBXWODURFO-JOCHJYFZSA-N 480.952 4.391 50 10 JIGE O=C(Nc1ccc(I)cc1Br)N1CCC(Br)CC1 2043825618 VMQQRJYFFOMBEN-UHFFFAOYSA-N 487.961 4.445 50 10 JIGE Cc1cc(O)ccc1-n1nc(CBr)c(I)c1C(F)(F)F 2079256486 CTHOLGYSVBDWGX-UHFFFAOYSA-N 461.019 4.405 50 10 JIGE C[C@@H](Br)[C@H]1CCCN1C(=O)c1ccc(Br)cc1I 2086146071 VEQKWLAHQLFUPF-PRHODGIISA-N 486.973 4.442 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CC[C@@H]2[C@@H](CCl)[C@@H]2C1 2093129315 QYGULMBSDGTIBO-GMTAPVOTSA-N 454.533 4.001 50 10 JIGE C#CC[C@](C)(CBr)CNC(=O)c1cccc(Br)c1Br 2140715114 SIBLGCFPERODHT-CQSZACIVSA-N 451.984 4.366 50 10 JIGE C[C@](CCl)(NS(=O)(=O)c1cc(Br)ccc1Br)C(F)(F)F 2161365215 LXYRLMYWGZBFDY-SECBINFHSA-N 459.509 4.050 50 10 JIGE CN([C@@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(F)c(CBr)c1 2179789550 SAYJHYRHROCOKT-GOSISDBHSA-N 455.393 4.006 50 10 JIGE CCc1ccc(S(=O)(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)cc1CBr 2179859574 GIZVKVPYADYOHP-HXUWFJFHSA-N 451.430 4.039 50 10 JIGE C=C[C@@]1(CBr)COCCN1C(=O)c1cc(Br)cc(Br)c1 2199849890 XLFANRFFUPWQCP-CQSZACIVSA-N 467.983 4.004 50 10 JIGE Cc1ccc(C(=O)N[C@@H]([C@@H](C)Br)C(F)(F)F)cc1I 2224627941 CANRUQLUBMJGPX-XCBNKYQSSA-N 450.036 4.044 50 10 JIGE C[C@H](CBr)CC1CN(C(=O)c2ccc(I)c(Cl)c2)C1 2230701073 VVQHZCLWPXZCKI-VIFPVBQESA-N 456.549 4.438 50 10 JIGE CC(C)(C)OC(=O)Nc1ccc(OC(F)(F)F)cc1C(=O)NC[C@@H]1C[C@@H]1Br 2237288567 CNEHMVRJQJERMK-CABZTGNLSA-N 453.255 4.445 50 10 JIGE CCc1ccc(C=C2SC(=S)N(CCCC(=O)NNC(=O)c3cccc(Cl)c3)C2=O)cc1 2295905644 NGXVNGHHNXELFD-UHFFFAOYSA-N 488.034 4.345 50 10 JIGE O=C(NN=Cc1cccc(OC(=O)c2ccco2)c1)C(=Cc1cccs1)NC(=O)c1ccccc1 2296654309 RNUPMPQAYXPRNL-UHFFFAOYSA-N 485.521 4.482 50 10 JIGE COc1ccc(C(C#N)=Cc2cccc(OC(=O)[C@H](C)N3C(=O)c4ccccc4C3=O)c2)cc1 2320511433 VYCXNZQENJSEKB-KRWDZBQOSA-N 452.466 4.349 50 10 JIGE CCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1cc(C)c(Cl)c(C)c1 14652582 VLSCYKLYPMNQCC-UHFFFAOYSA-N 469.763 4.348 50 10 JIGE Cc1cc(C)n(CC(=O)NNC(=O)c2cc3c(C)nn(Cc4ccc(Cl)cc4Cl)c3s2)n1 27609944 AJKRTVPWYZMKCL-UHFFFAOYSA-N 491.404 4.036 50 10 JIGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)c(OC)c(OCC)c2)cc1 58894951 ORIFLOHMWSMZST-QCYAWUEASA-N 479.371 4.219 50 10 JIGE O=C(CSc1nnc(CCc2ccccc2)n1-c1ccccc1)N/N=C/c1ccc(F)cc1 58989221 HJUVFSXZVNPEAR-WPWMEQJKSA-N 459.550 4.434 50 10 JIGE Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2[C@H]1CCCN(C(=O)CCl)C1 96167588 BCYQQNGYLQGVGY-KRWDZBQOSA-N 462.941 4.270 50 10 JIGE CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccccc3Cl)cc2)C1=O 101341453 ALORENFBQCHVPW-HYARGMPZSA-N 478.932 4.464 50 10 JIGE CC[C@H](NC(=O)/C(C#N)=C\N1CCN(c2ccccc2OC)CC1)c1ccc2c(c1)CCCC2 217192134 CGYAJVWLTOETLF-MKEBKOIESA-N 458.606 4.371 50 10 JIGE CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=C/C=C/c2cccc([N+](=O)[O-])c2)cc1 254836136 NCEIYLRLPNZOGY-YRHWZTPBSA-N 483.528 4.247 50 10 JIGE Cc1cc(/C=C(/C#N)C(=O)N2CCC[C@H](CN3CCCCCC3)C2)c(C)n1C[C@H]1CCCO1 728530054 BRBRYTDNBNGZAJ-JRCDKVLCSA-N 452.643 4.306 50 10 JIGE N#CCCn1cc(/C=C(\C#N)C(=O)N2CCC[C@@H](n3ccnc3)C2)c(-c2ccc(Cl)cc2)n1 728541301 GILXWILTFUKXIV-OOIVEFLKSA-N 459.941 4.084 50 10 JIGE CC(C)OCCCn1c(NNC(=O)c2cc(-c3cccc(Cl)c3)no2)nc2ccccc2c1=O 729279628 LJYPLRYRBJXWEZ-UHFFFAOYSA-N 481.940 4.277 50 10 JIGE Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 818861261 QYJQCGVEWYLKSC-UHFFFAOYSA-N 450.398 4.120 50 10 JIGE N#CCCn1cc(/C=C(/C#N)C(=O)NCCc2ccc(OC(F)F)cc2)c(-c2ccccc2)n1 914463404 AUPZLOJGSZSKFX-HKWRFOASSA-N 461.472 4.331 50 10 JIGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)NC2CCC(c3ccccc3)CC2)cc1 920852967 CVGUAIJNHFZYMH-HAVVHWLPSA-N 497.599 4.184 50 10 JIGE CN(c1ccc(C(=O)NN=Cc2ccccc2Br)cc1)S(=O)(=O)c1ccccc1 1083950160 ZYNQBYNGQFQSJN-UHFFFAOYSA-N 472.364 4.038 50 10 JIGE C[C@H](SCc1ccccc1)C(=O)NN=C1C(=O)N(Cc2cccc([N+](=O)[O-])c2)c2ccccc21 1084044274 RLBOVXDOXPEIKH-KRWDZBQOSA-N 474.542 4.284 50 10 JIGE CC(C)(CNC(=O)NNC(=O)c1ccc(Br)cc1)c1cccc(Br)c1 1318149369 SBVKDPRJPPIVRY-UHFFFAOYSA-N 469.177 4.133 50 10 JIGE C=CCOC[C@H](NC(=O)/C(C#N)=C\c1cc(C)n(-c2cccc3ccccc23)c1C)C(=O)OC 1467514754 AGIMBIZHDKJPBM-FCKOQQNDSA-N 457.530 4.015 50 10 JIGE C=CCN1CC[C@@H](N(C)C(=O)/C(C#N)=C/c2cc(C)n(-c3cccc4ccccc34)c2C)C1=O 1524312192 CQAWKLKJCMUHFR-CVMWMZFYSA-N 452.558 4.400 50 10 JIGE CC(=O)c1cc(NC(=O)NNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)ccc1F 1661626475 UAGJFBQETCKJBJ-UHFFFAOYSA-N 457.465 4.348 50 10 JIGE Cc1sc2ncn(CC(=O)N/N=C/c3ccc(Cl)c([N+](=O)[O-])c3)c(=O)c2c1-c1ccccc1 1860772601 ARDKALNDLXMOCA-KIBLKLHPSA-N 481.921 4.145 50 10 JIGE CC(C)CSc1ccccc1C(=O)NNC(=O)[C@@H](C)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1865851999 MQBQEAZAEPXMJG-HZPDHXFCSA-N 498.674 4.353 50 10 JIGE CC[C@@H](NC(=O)CCN(Cc1ccccn1)C(=O)OC(C)(C)C)C(=O)Nc1ccc(SC#N)cc1 1867081837 UMJVFORTVBAZAD-OAQYLSRUSA-N 497.621 4.315 50 10 JIGE COc1ccccc1-c1csc(/C(C#N)=C(\O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)n1 1872747220 SPLXHJDEYQIGGX-VLGSPTGOSA-N 481.530 4.067 50 10 JIGE Brc1cc(COCCI)ccc1I 1893252371 WZCGBBGXVWIVQN-UHFFFAOYSA-N 466.882 4.005 50 10 JIGE O=C(NC1CC([C@@H](F)CBr)C1)c1cc(Br)cc(Br)c1 1906454305 XQEAUTOSDWUMBL-XYYUTVHRSA-N 457.963 4.453 50 10 JIGE O=C(N[C@@H](CBr)C[C@H]1CCCO1)c1cccc(Br)c1Br 1926727482 JQHYVSCKHDIRJX-NXEZZACHSA-N 469.999 4.274 50 10 JIGE COC[C@@](C)(CBr)CNC(=O)c1scc(Br)c1Br 1926970045 VGCJQBYYJHSXTB-NSHDSACASA-N 464.017 4.051 50 10 JIGE C[P@]1(=O)C[C@@H](Br)[C@@H](NC(=O)c2scc(Br)c2Br)C1 2057716903 DQDYWKACIUVBRR-HLBREWBGSA-N 479.956 4.142 50 10 JIGE CCN1CCC[C@H]([C@H](Br)c2cc(Br)c(Cl)s2)S1(=O)=O 2115926624 DJLYNYHKPIYHLU-NXEZZACHSA-N 451.633 4.414 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC[C@H]2C[C@@H]2C2CCOCC2)C1 2135993997 PUJWCHWVNLAUMJ-MBOZVWFJSA-N 479.399 4.270 50 10 JIGE O=C(N[C@@H](CCCl)C(F)(F)F)c1ccc(Br)cc1I 2142280624 GNWDESMFCOQMAF-VIFPVBQESA-N 470.454 4.343 50 10 JIGE COc1cc(C=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2)cc(Cl)c1O 2295489477 MTGSWVUNXQPGOM-UHFFFAOYSA-N 492.963 4.041 50 10 JIGE CN([C@@H](CBr)Cc1ccccc1)S(=O)(=O)C1CC(OCc2ccccc2)C1 2296503038 JWDFUSORYDDKNA-QNGMFEMESA-N 452.414 4.002 50 10 JIGE CN(CC[C@@H](Cl)c1cccs1)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2366235495 COZZMQKIMLCCBI-GOSISDBHSA-N 469.028 4.146 50 10 JIGE O=C(NC1CCCCC1)[C@H](c1ccc(F)cc1)N(C[C@@H]1COc2ccccc2O1)C(=O)CCl 3037412 RHJVEGKZBSPXAW-YKSBVNFPSA-N 474.960 4.223 50 10 JIGE C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)COc1ccc(Br)cc1Cl 14031666 SJWGSNOLAIXFFQ-ZDUSSCGKSA-N 477.742 4.249 50 10 JIGE COc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)CCC3)cc1 40814620 DUEWFICVXHXFKV-NHFJDJAPSA-N 476.489 4.156 50 10 JIGE COc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OC(=O)Cc2ccccc2)cc1 59500452 UTMLREHFGQFJSI-MYYYXRDXSA-N 467.319 4.370 50 10 JIGE O=S(=O)(N[C@H]1CCCC[C@H]1CBr)c1cc(Cl)c(Br)s1 231621978 LDHVKPOMJUDEIV-CBAPKCEASA-N 451.633 4.396 50 10 JIGE COc1ccc(-c2nnc(SCC(=O)NN=C/C=C/c3ccco3)n2-c2ccc(OC)cc2)cc1 252616909 KIIJIIDVBSUBHZ-LPSDHVPZSA-N 489.557 4.452 50 10 JIGE COc1cc(C=NNC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2Cl)ccc1O 252620213 LZKRXLLCNPFBSO-XRVIPMFNSA-N 492.963 4.041 50 10 JIGE Cn1c(SCC(=O)NN=Cc2cccc(Br)c2)nnc1-c1ccccc1Cl 254806509 WPVFYUYVMRZACO-UHFFFAOYSA-N 464.776 4.140 50 10 JIGE O=C(Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)N(N=Cc1ccccc1)c1cccc(C(F)(F)F)c1 255756707 RNEROUBEXHWBQU-UHFFFAOYSA-N 495.417 4.391 50 10 JIGE CC1(CBr)CCN(S(=O)(=O)c2cc(Br)ccc2Br)CC1 402968138 PUEUFXYLNKJGRH-UHFFFAOYSA-N 490.055 4.397 50 10 JIGE CN(C[C@@H](Br)C1CC1)C(=O)c1cc(Br)ccc1I 690149337 YXTOGLYOGYHXMK-LLVKDONJSA-N 486.973 4.299 50 10 JIGE Cn1cc([C@@H](Cl)c2cc(I)cc3c2OCC3)nc1Br 698451311 QKLJMZPWGNIWMT-NSHDSACASA-N 453.505 4.050 50 10 JIGE C[C@@H]1CCN(C(=O)c2ccc(I)c(Br)c2)C[C@H]1Br 721608184 FAMNHIGOQVPRLO-LDYMZIIASA-N 486.973 4.299 50 10 JIGE N#CCCn1cc(/C=C(/C#N)C(=O)OCC(=O)N[C@H]2CCCc3ccccc32)c(-c2ccccc2)n1 761386638 PCLIAMOBLCKPIL-YVVITCHPSA-N 479.540 4.108 50 10 JIGE CC(C)(C)OC(=O)N1C[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C=CC1=O 1084294681 GWHDXOPXCUFWTA-HXUWFJFHSA-N 451.639 4.265 50 10 JIGE Cc1c(C(=O)NCc2ccccn2)oc2c1C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772743429 ABTCZRDUEYRWPX-UHFFFAOYSA-N 481.350 4.146 50 10 JIGE CC(=O)Nc1nc(-c2cccs2)c(CC(=O)N[C@H](C)C(=O)Nc2ccc(SC#N)cc2)s1 1866635856 ZOZSJUAYWLTYHL-GFCCVEGCSA-N 485.616 4.089 50 10 JIGE COC(=O)c1ccccc1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1=O 1872747263 VDIDDIIOEYXCOD-YUCJCZDXSA-N 490.497 4.351 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@H]2CC[C@@]2(CCl)C1 1903930078 CXNYBKFHWPURGJ-YMTOWFKASA-N 454.533 4.145 50 10 JIGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)c1ncc(Br)cc1F 2002339849 QGNVKGKFWZOHEC-CQSZACIVSA-N 460.141 4.036 50 10 JIGE O=C(c1ccc(I)cc1)N(CCBr)Cc1ccsc1 2114642562 JDFMAQRJBCETHF-UHFFFAOYSA-N 450.139 4.390 50 10 JIGE Cc1csc(CBr)c1S(=O)(=O)N1CCCN(Cc2ccccc2)C[C@H]1C 2123238962 ZRICEEMPOSQZDI-MRXNPFEDSA-N 457.459 4.237 50 10 JIGE COc1cc(F)c([C@@H](Cl)c2cnn(C)c2I)cc1Br 2138146805 SGCBFWGERSCAPI-LLVKDONJSA-N 459.484 4.263 50 10 JIGE C[C@H]1CCC[C@H](CNC(=O)OC(C)(C)C)N1S(=O)(=O)c1ccc(CBr)cc1 2163056014 NIQDADOZSLIIAP-GOEBONIOSA-N 461.422 4.038 50 10 JIGE CCOCCOCCO[C@@](C)(CI)c1ccccc1Br 2181238362 NDVNGUWBXTYLDG-HNNXBMFYSA-N 457.146 4.169 50 10 JIGE CN(C[C@H](Br)C1CCCC1)C(=O)c1c(F)cccc1I 2282794698 MQZLERUIHQTVOY-NSHDSACASA-N 454.121 4.456 50 10 JIGE CC1(C)C[C@](C)(CBr)CN1C(=O)c1c(F)cccc1I 2282801878 LKHYMSGNFRFWCR-OAHLLOKOSA-N 454.121 4.456 50 10 JIGE COc1ccc(NC(=O)COc2ccc(C=C(C#N)c3nc(O)c4ccccc4n3)cc2OC)cc1 2314433605 PLLOUEYCMJHDME-UHFFFAOYSA-N 482.496 4.434 50 10 JIGE CCOc1ccc(-c2csc(C(C#N)=C(O)CNC(=O)c3cc(OC)c(OC)c(OC)c3)n2)cc1 2331305330 REJAKCROBCZJDN-UHFFFAOYSA-N 495.557 4.457 50 10 JIGE O=C(c1ccccc1I)N1CCC[C@@H](Br)[C@H]1C(F)(F)F 2370243920 WERGNRLKWCHLPB-KOLCDFICSA-N 462.047 4.222 50 10 JIGE CCCCOc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(OCc3ccccc3)cc2)c1 14041983 ODQRSMLKOWNTLI-UHFFFAOYSA-N 477.586 4.394 50 10 JIGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)c1OC 38658889 HMVFECNQRZBSPF-OYLFLEFRSA-N 490.487 4.434 50 10 JIGE Cc1c(C(=O)Nc2ccccc2Br)oc2c1/C(=N/NC(=O)c1ccccn1)CCC2 40814317 BOCNFWRKDRAIGX-WGOQTCKBSA-N 467.323 4.468 50 10 JIGE COc1cc(/C=C(\C#N)C(N)=O)ccc1OC(=O)/C=C/c1ccc(OCc2ccccc2)cc1 40883897 WREFRMILMCMRDM-PWGZALKNSA-N 454.482 4.285 50 10 JIGE O=C(CSc1nc2ccccc2[nH]1)N/N=C\c1c(O)ccc2cc(Br)ccc12 50954449 AQKKLSVJPCYPQX-YVNNLAQVSA-N 455.337 4.427 50 10 JIGE Nn1c(SCCCC(=O)N/N=C/C=C/c2ccccc2)nnc1-c1ccccc1Br 58989858 UKUANUAMXGNYGU-SWHXDCQXSA-N 485.411 4.109 50 10 JIGE COc1ccc(COC(=O)N/N=C/c2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)cc1 59147636 SMGZQLVFSRPYAY-BUVRLJJBSA-N 454.504 4.032 50 10 JIGE Cc1ccc(OCC(=O)N/N=C/c2ccccc2OCc2ccc(C(=O)O)cc2)cc1Cl 59167332 ZRWVGUMSOSRCNW-LGJNPRDNSA-N 452.894 4.455 50 10 JIGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 101333755 MVLZXVDTZLWIST-LPYMAVHISA-N 467.485 4.448 50 10 JIGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 206676557 LONGHWXHAREVQP-WQRHYEAKSA-N 461.430 4.029 50 10 JIGE COCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)c2ccccc2CCc2ccccc2)cc1 207078940 ZYIBLWHMFWSJHO-CLCOLTQESA-N 454.526 4.361 50 10 JIGE CC1(C)C[C@@H](NC(=O)Nc2n[nH]c3c2CCN(Cc2ccccc2)C3)C[C@](C)(CN=C=O)C1 229113948 LGCNNXBQMUOUTB-CLOONOSVSA-N 450.587 4.010 50 10 JIGE Cc1ccc(S(=O)(=O)Oc2ccccc2C=NNC(=O)CSc2nc3ccccc3o2)cc1 254556064 ZFUHUYKJWMVOBU-UHFFFAOYSA-N 481.555 4.146 50 10 JIGE C[C@H](Br)c1cnnn1-c1ccc(I)cc1Br 309432792 MDQQUOVJNUPRPL-LURJTMIESA-N 456.907 4.090 50 10 JIGE Cn1ncc([C@@H](Br)c2cc(Br)cc3c2OCC3)c1I 379231564 ZSQXZBSBZOEYPA-NSHDSACASA-N 497.956 4.206 50 10 JIGE CC[C@@H](CCBr)NC(=O)c1ccc(I)c(Br)c1 721594757 RNGBVQOARBZQER-VIFPVBQESA-N 474.962 4.347 50 10 JIGE N#CCCn1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2O)c(-c2ccccc2)n1 915198220 FPVOKASJCMVIMB-WJDWOHSUSA-N 462.307 4.478 50 10 JIGE COCc1cc(C)nc(OCC(=O)NN=Cc2ccccc2OCc2ccccc2Cl)c1C#N 1084569950 INVWZBPTVBSQRZ-UHFFFAOYSA-N 478.936 4.170 50 10 JIGE COc1ccc(C=NNC(=O)COc2cc(C)c(Cl)c(C)c2Br)cc1OC 1772756532 MXYPVRLZAOIMTI-UHFFFAOYSA-N 455.736 4.266 50 10 JIGE COc1ccc(C)cc1-c1csc(/C(C#N)=C(\O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)n1 1873920991 OYIQCMRIOQWGEX-ZPHPHTNESA-N 476.470 4.124 50 10 JIGE CN(C[C@@H]1C[C@H]1Br)C(=O)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 1897165503 DABPCFHTQDDJGX-YYDVJCTNSA-N 481.431 4.072 50 10 JIGE CC(C)[C@@H](CCl)N(Cc1ccccc1)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 1915268262 LBWIICJRNXCSKK-JOCHJYFZSA-N 491.053 4.404 50 10 JIGE C[C@]1(CBr)CCCN(c2ncc(I)cc2Br)C1 2015762782 PJFGCYRTOPACJM-GFCCVEGCSA-N 473.978 4.450 50 10 JIGE COc1ccc(C=C(C#N)C(=O)n2c(=O)c(-c3nnc4n3CCCCC4)cc3ccccc32)cc1 2059861998 LYZIJQZBLVPPQC-UHFFFAOYSA-N 465.513 4.242 50 10 JIGE CCc1ccc(I)c(CBr)c1I 2060220599 ZAZWXBJNGDESOK-UHFFFAOYSA-N 450.883 4.353 50 10 JIGE Fc1cc(-n2nc(CBr)c(I)c2C(F)(F)F)c(F)cn1 2078930222 SJDWQSRLFVHFMQ-UHFFFAOYSA-N 467.961 4.064 50 10 JIGE O=S1(=O)CCC[C@@H]([C@@H](Br)c2ccc(Br)cc2Br)C1 2083319335 YALPKRYXPCGNPD-PRHODGIISA-N 461.013 4.472 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@H]2C[C@H]1CC[C@@H]2Br 2088647821 XOHGZDWHQDPKCC-UISBYWKRSA-N 498.984 4.442 50 10 JIGE O=C(N[C@@H]1C[C@H](CCl)[C@H]2C[C@@H]21)c1cc(I)ccc1Br 2110548207 GAHBHSRKYLPKFS-SQFXPHBZSA-N 454.533 4.047 50 10 JIGE CC(F)(F)C[C@H](CCl)NC(=O)c1cc(I)ccc1Br 2113235646 LVSBTJKBQHSQKK-MRVPVSSYSA-N 466.491 4.436 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CC[C@@H]2[C@H](CBr)[C@H]2C1 2142279751 URXSJDRPYCZLQB-USWWRNFRSA-N 498.984 4.157 50 10 JIGE CC1(C)CN(C(=O)c2c(Br)cccc2Br)C[C@H](CBr)O1 2150492066 WRMLDNZJBOPABP-VIFPVBQESA-N 469.999 4.226 50 10 JIGE CN1Cc2cc([C@H](Br)c3cc(I)sn3)ccc2NC1=O 2176541336 YGTAQRAOSRAUIJ-LBPRGKRZSA-N 464.126 4.209 50 10 JIGE O=S(=O)(c1csc(CBr)c1)N1CC[C@H]2CCN(Cc3ccccc3)C[C@@H]2C1 2179825160 DKTIYOCYAZWKDW-QZTJIDSGSA-N 469.470 4.176 50 10 JIGE BrC[C@@]12CN(Cc3cc(Br)ccc3Br)C[C@H]1CCO2 2231267534 RVMZJAHGNRCOQK-BXUZGUMPSA-N 454.000 4.197 50 10 JIGE O=C(NC[C@H]1CC[C@@H](CBr)CO1)c1scc(Br)c1Br 2264721927 SJZORFJOIWPCKI-JGVFFNPUSA-N 476.028 4.193 50 10 JIGE CN(Cc1cccc(I)c1)S(=O)(=O)c1ccc(CBr)s1 2280351609 JZOCRWTXNDLCDU-UHFFFAOYSA-N 486.194 4.068 50 10 JIGE C[C@@]1(CNS(=O)(=O)c2cc(Br)ccc2Br)CCC[C@H]1Br 2286874826 DRJNXWXJASRIKD-OLZOCXBDSA-N 490.055 4.444 50 10 JIGE COc1cc(Br)c(OCC(=O)NN=CC(C)=Cc2ccco2)c(Br)c1 2297322908 BAYRBJHFVPPPFZ-UHFFFAOYSA-N 472.133 4.398 50 10 JIGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1ccc([N+](=O)[O-])c(C)c1 2314754707 YZJZQZKLKIACNA-UHFFFAOYSA-N 475.457 4.338 50 10 JIGE Cc1cc(Cl)ccc1OCC(=O)Oc1ccc(C=C(C#N)C(=O)NCc2ccco2)cc1 2314759990 BYYHYQHDZHUVIR-UHFFFAOYSA-N 450.878 4.449 50 10 JIGE COc1ccccc1C(C#N)=Cc1cccc(OC(=O)CCN2C(=O)c3ccccc3C2=O)c1 2320510964 GZCUPAQGEJYLMQ-UHFFFAOYSA-N 452.466 4.351 50 10 JIGE Clc1ccc(CN2C[C@H]3OCCC[C@]3(CBr)C2)c(I)c1 2366704073 JLRGQIMDTRWCLW-CABCVRRESA-N 470.576 4.321 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)[C@H](Br)C2CCCC2)[C@H]1C(F)(F)F 2370169209 VQAQRVUCDHDPNR-MCIONIFRSA-N 457.331 4.387 50 10 JIGE CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2c[nH]c3ccccc23)cc1 3144528 MMMJVSLVBLOSCF-NVRFOXTESA-N 451.530 4.155 50 10 JIGE O=C(COc1cccc2ccccc12)NC(=S)NNC(=O)C(c1ccccc1)c1ccccc1 12574003 UDEKQFWQTMRREC-UHFFFAOYSA-N 469.566 4.073 50 10 JIGE C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NNC(=O)Cc1cccc2ccccc12 14644400 SYJLQWKVOKSHIA-ZDUSSCGKSA-N 461.743 4.413 50 10 JIGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccccc1 14648670 GHRMJOXMMNEQOF-UHFFFAOYSA-N 478.412 4.358 50 10 JIGE Cc1c(C(=O)NCc2ccc3c(c2)OCO3)oc2c1/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2 40825764 IOPCHPPKSAOTIX-AJBULDERSA-N 496.523 4.265 50 10 JIGE O=S(=O)(NC[C@@H]1CCC[C@H]1CBr)c1cc(Br)ccc1Br 136726044 ZHTNZEUKSYTEAF-UWVGGRQHSA-N 490.055 4.301 50 10 JIGE CCOc1cc(/C=C2\C(=O)N(CCCOC)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 214294484 DJHNVCVIUBMOEJ-HMAPJEAMSA-N 478.520 4.432 50 10 JIGE O=C(CCn1nnc2ccccc21)NN=Cc1ccccc1OCc1cccc(Br)c1 254378317 RJYFLPHOIKSJDU-UHFFFAOYSA-N 478.350 4.313 50 10 JIGE C[C@H](Br)c1cnnn1-c1cc(Br)ccc1I 309435137 MQKMNZPEURIMCW-LURJTMIESA-N 456.907 4.090 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1CCC[C@H]1CCBr 382104121 PRDOPPZNXAUOAO-JTQLQIEISA-N 476.028 4.150 50 10 JIGE C[Si](C)(C)OC[C@@H]1OC(=O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C 575229084 VNGTZLYNGGLPIZ-HZMVEIRTSA-N 466.872 4.424 50 10 JIGE O=C(NC[C@]1(CBr)CCCOC1)c1cc(Br)cc(Br)c1 700910010 ABZDHNQSUHFPNP-CQSZACIVSA-N 469.999 4.133 50 10 JIGE C[C@H](CBr)[C@H](C)NC(=O)c1ccc(I)c(Br)c1 721591674 DOHMRELWJHZWBN-SFYZADRCSA-N 474.962 4.203 50 10 JIGE O=C(NCCCCCCI)c1cccc(F)c1I 721653648 ZNNLFFKEYMRDGO-UHFFFAOYSA-N 475.083 4.156 50 10 JIGE COc1ccc(-c2nn(-c3ccccc3)cc2CC(=O)NNC(=O)c2cn(C)c3ccccc23)cc1 789810808 NCBCJDSOVFNCCJ-UHFFFAOYSA-N 479.540 4.043 50 10 JIGE CCOc1ccc(C=NNC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)cc1 1084057906 VSHKNJPDJCVDOZ-UHFFFAOYSA-N 485.993 4.469 50 10 JIGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2cc(Cl)ccc2OC(F)(F)F)cc1 1205490913 DPUMHIGIDMKORZ-LLVKDONJSA-N 459.808 4.061 50 10 JIGE CC(C)c1ccc(/C=C/C(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 1860772211 VFMFWEKFMRQENC-OKYZRPEMSA-N 478.618 4.128 50 10 JIGE Cc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865696653 PLOOIHBYPLJYPZ-LJQANCHMSA-N 455.287 4.065 50 10 JIGE CC(C)(CCl)N(Cc1ccccc1)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1915762772 QEKGLQXRCLGCGM-UHFFFAOYSA-N 477.026 4.302 50 10 JIGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N(Cc1ccccc1)C1(CCl)CCC1 1915768052 GSQQKWUNAUZZGE-UHFFFAOYSA-N 475.010 4.056 50 10 JIGE C[C@@]12CN(C(=O)c3cc(I)ccc3Br)C[C@]1(CBr)C2 2109180801 BXZISYVPCFMOLY-ZIAGYGMSSA-N 498.984 4.301 50 10 JIGE CN(C(=O)c1cc(Cl)ccc1I)[C@H](CCBr)C(F)F 2121995640 NYUVCZALVFURCJ-SNVBAGLBSA-N 466.491 4.435 50 10 JIGE C[C@H]1CN(C(=O)c2csc(Br)c2Br)C[C@H](CCBr)O1 2122789040 KIYFSFDVWSFJLB-YUMQZZPRSA-N 476.028 4.288 50 10 JIGE CC[C@H]1CN(S(=O)(=O)c2cc(CBr)sc2C)CCN1Cc1ccccc1 2123231541 FVEVEFBEILHIFX-KRWDZBQOSA-N 457.459 4.237 50 10 JIGE CC[C@H]1CN(C(=O)c2ccc(I)c(Cl)c2)C[C@@H]1CBr 2140782788 CXJUNHQPGJREQM-ONGXEEELSA-N 456.549 4.438 50 10 JIGE CC[C@@H]1CN(C(=O)c2ccc(Br)cc2I)C[C@@H]1CCl 2142281773 UTHSGZSICBHMCX-ZJUUUORDSA-N 456.549 4.391 50 10 JIGE Clc1cc(CN2CCO[C@@H]3C[C@@H](Br)C[C@@H]32)ccc1I 2142943486 MMXLGXDRRFZPPB-LEWSCRJBSA-N 456.549 4.071 50 10 JIGE Cc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2(C)C)cc1CBr 2179792753 KJHMTIZELOTAEL-UHFFFAOYSA-N 451.430 4.175 50 10 JIGE C[C@@](CI)(O[C@@H]1CN2CCC1CC2)c1ccccc1Br 2198015640 ZKZRRJDSEMUMFJ-CVEARBPZSA-N 450.158 4.210 50 10 JIGE C[C@@H](Cl)c1nc2cncnc2n1-c1ccc(Br)c(I)c1 2235284637 WYGZWEVFEFAIQM-SSDOTTSWSA-N 463.504 4.482 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N(CCBr)CC1CC1 2277935170 DZWPYJPQXRCUAX-UHFFFAOYSA-N 454.000 4.388 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N[C@@H]1C[C@H]2C[C@H]1C[C@@H]2Br 2295309617 LKOHEMFULHBEBX-XXSPCDMZSA-N 466.011 4.432 50 10 JIGE COc1cc(OC)c([C@H](Br)c2c(Br)cnn2C)cc1Br 2295431082 SDKXVJWQEAZOEA-LBPRGKRZSA-N 468.971 4.447 50 10 JIGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=CC=Cc2ccccc2[N+](=O)[O-])cc1 2295489481 NVCOIDATNUUVPI-UHFFFAOYSA-N 483.528 4.247 50 10 JIGE COCCn1c(C)cc(C=C(C#N)C(=O)OCC(=O)c2ccc(NC(=O)CC(C)C)cc2)c1C 2297335819 JWLGYXXCVYJLBQ-UHFFFAOYSA-N 465.550 4.069 50 10 JIGE CCOC(=O)COc1ccc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc1I 2313567019 BDKIVVKAKDXRSM-UHFFFAOYSA-N 490.297 4.087 50 10 JIGE O=S(=O)(NCCSCCBr)c1c(Cl)cc(Br)cc1Cl 2335619069 FPYYIGSIRSZESY-UHFFFAOYSA-N 472.051 4.162 50 10 JIGE O=S(=O)(N[C@@H](CCBr)COCc1ccccc1)c1cc(Cl)c(F)cc1F 2343457935 GKFLWQXGKIOPOY-ZDUSSCGKSA-N 468.747 4.267 50 10 JIGE COC[C@@]1(CBr)C=CCN1Cc1cc(Cl)ccc1I 2351703026 UDSLEBPABPWZOQ-AWEZNQCLSA-N 456.549 4.097 50 10 JIGE COC[C@]1(CBr)C=CCN1Cc1cc(Br)ccc1Br 2351719976 XWGPQAGXKIEKGS-CQSZACIVSA-N 454.000 4.364 50 10 JIGE Cn1nc(Br)c(Br)c1C(=O)N[C@@H]1CCCC[C@@H]1CCBr 2364229625 ZGXJVDZPDDOICI-RKDXNWHRSA-N 472.019 4.019 50 10 JIGE O=C(NNC(=S)Nc1cccc(Br)c1)c1cccc(OCc2cscn2)c1 16259897 LGKAAASACPVTII-UHFFFAOYSA-N 463.382 4.116 50 10 JIGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccccc2OCc2ccc(C(=O)O)cc2)cc1 58895519 VFSIKHYOTRTZGV-VNIQIGACSA-N 476.529 4.326 50 10 JIGE CCOc1cc(/C=N\NC(=O)CCc2nc3ccccc3nc2O)cc(Cl)c1OC(C)C 169887165 WEPQEALVLNGWIV-MXAYSNPKSA-N 456.930 4.258 50 10 JIGE COc1ccc(N/C=C(/C#N)C(=O)Nc2ccc(I)cc2C)cc1OC 217253635 MDRIVKSXIYAZHA-QBFSEMIESA-N 463.275 4.075 50 10 JIGE O=S(=O)(NCCCCCCI)c1cc(Cl)c(Br)s1 236054120 RVALEAQQALIRJO-UHFFFAOYSA-N 486.622 4.438 50 10 JIGE Cc1nc(C)c(C(=O)NN=Cc2c[nH]c3ccccc23)cc1C(=O)NN=Cc1c[nH]c2ccccc12 254517660 MGIINBBXZARPDH-UHFFFAOYSA-N 477.528 4.189 50 10 JIGE O=S(=O)(c1cc(Br)cc(CCl)c1F)N1CCCN(Cc2ccccc2)CC1 323920322 MGMDPYXUJBKAFF-UHFFFAOYSA-N 475.811 4.224 50 10 JIGE CC(C)(C)[C@@H](CBr)NS(=O)(=O)c1cc(Br)ccc1Br 393983379 WJABKJOJYYIKSX-LLVKDONJSA-N 478.044 4.300 50 10 JIGE CCCOc1ccc(C=NNC(=O)CCC(=O)Nc2ccc(Br)cc2)cc1OC 725274362 ZSCZMUWSUVJHRZ-UHFFFAOYSA-N 462.344 4.116 50 10 JIGE COc1ccc(CCCN(C)C(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)cc1 918686136 GDGULWUPUXLDKU-PTGBLXJZSA-N 453.546 4.471 50 10 JIGE Nn1c(CCc2ccccc2)nnc1SCCCC(=O)NN=Cc1ccc(Cl)cc1Cl 1084099618 KBMKPNQQXHVBNI-UHFFFAOYSA-N 477.421 4.107 50 10 JIGE CC(=O)c1cccc(OCCCC(=O)NNc2cc(C(F)(F)F)nc(-c3cccnc3)n2)c1 1306591014 QGZKQIVZERCHRN-UHFFFAOYSA-N 459.428 4.062 50 10 JIGE O=C(N/N=C1\c2ccccc2C[C@@H]1NC(=O)c1ccco1)Nc1ccc(OC(F)(F)F)cc1 1614018676 MKAAPUVQDNAMPD-XEEVIUQISA-N 458.396 4.059 50 10 JIGE C#Cc1cccc(NC(=S)NNC(=O)c2ccc(-c3noc(-c4ccc(F)cc4)n3)cc2)c1 1644837857 CVUAXOLDGXCPOP-UHFFFAOYSA-N 457.490 4.155 50 10 JIGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2c(F)cccc2Cl)cc1 1865709256 SBMUKOYKUZKIBS-FQEVSTJZSA-N 452.873 4.037 50 10 JIGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865712046 OPXKNMYIEQLOSP-NRFANRHFSA-N 493.907 4.376 50 10 JIGE COc1ccc(/C=C2\Oc3c(ccc(OC(=O)C(Cl)Cl)c3C)C2=O)c(OC)c1OC 1871386302 OATHUCKVROCGIB-DHDCSXOGSA-N 453.274 4.346 50 10 JIGE COc1cc(/C=N/NC(=O)COc2ccc3c(C)cc(=O)oc3c2)ccc1OCc1ccccc1F 1873792409 BKVVUVRYNZUPQK-IPPBACCNSA-N 490.487 4.357 50 10 JIGE O=C(CCCC[C@H]1CCSS1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 1874191972 PMIQZVOSGOZMJR-AWEZNQCLSA-N 465.062 4.014 50 10 JIGE CN(C[C@H]1C[C@H](Br)C1)[C@@H](CN)c1cc(Br)c(Br)s1 2076249815 GPKYAKZQMVQSPD-NRPADANISA-N 461.061 4.378 50 10 JIGE CCN(C[C@](C)(CI)OC[C@@H]1C[C@@]12CCCOC2)C(=O)OC(C)(C)C 2077654258 NYQYAGVXOFUSNZ-ZYSHUDEJSA-N 467.388 4.270 50 10 JIGE O=C(c1cc(Br)sc1Br)N1CC[C@]2(C[C@@H](Br)CO2)C1 2137134823 VIKIIOJPDRVYDW-KRTXAFLBSA-N 474.012 4.042 50 10 JIGE C[C@@H]1CN(Cc2ccc(I)c(Cl)c2)C[C@H](CCBr)O1 2142951180 XWGSTHZQSXQONB-PWSUYJOCSA-N 458.565 4.319 50 10 JIGE Cc1ccc(S(=O)(=O)N(C)[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)cc1CBr 2179791353 QAOMLCREHHDPPC-XLIONFOSSA-N 451.430 4.173 50 10 JIGE O=S(=O)(c1csc(CBr)c1)N1[C@H]2CCC[C@H]1CN(Cc1ccccc1)CC2 2179810770 HDEIXWFCFKPGTQ-ROUUACIJSA-N 469.470 4.461 50 10 JIGE Cc1cc(C(=O)N(C)C2(CBr)CCSCC2)ccc1I 2207105624 VNNOEYHJEMRINL-UHFFFAOYSA-N 468.198 4.332 50 10 JIGE O=C(NC[C@H]1CC[C@@H](CBr)CO1)c1cc(Br)c(Br)s1 2264732278 XWQLYRQVXDJPJM-JGVFFNPUSA-N 476.028 4.193 50 10 JIGE COc1ccc(C=CC(=O)Oc2ccc(C=NNC(=O)COc3ccc(C)cc3[N+](=O)[O-])cc2)cc1 2297498673 HNRAEUHGBYVBOC-UHFFFAOYSA-N 489.484 4.060 50 10 JIGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)CS(C)(=O)=O 2301488195 YFUVHKPLARCZCX-ZETCQYMHSA-N 452.965 4.140 50 10 JIGE CC(C)(CI)CN=S1(=O)CCC2(CCN2C(=O)OC(C)(C)C)CC1 2306815995 OHVNQTWGZDTVCG-UHFFFAOYSA-N 470.417 4.089 50 10 JIGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)C1=CNc1ccc([N+](=O)[O-])cc1Br 2314579306 PIMSYXDIPMBWIQ-UHFFFAOYSA-N 467.279 4.062 50 10 JIGE O=C(N[C@H]1C[C@H](CBr)C12CCC2)c1cc(I)ccc1F 2379697110 PQKJMHUWISZWHL-RNCFNFMXSA-N 452.105 4.114 50 10 JIGE COc1ccc(C(=O)NN=Cc2ccc(OCC(=O)Nc3ccc(C)c(C)c3)c(OC)c2)cc1 695095 VZSURWHCPGGGJQ-UHFFFAOYSA-N 461.518 4.102 50 10 JIGE CC[C@H](Oc1ccccc1C)C(=O)NNC(=O)COc1ccc(C(C)C)cc1Br 13995462 CSORRAJZZONLMG-SFHVURJKSA-N 463.372 4.265 50 10 JIGE CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C(\C)c2cc(O)ccc2O)cc1 20072233 FKWXHTBRLBSUIZ-BVGVGHKLSA-N 486.572 4.255 50 10 JIGE COc1cc(OC)c(Nc2ncnc(NNC(=O)c3ccccc3Cl)c2[N+](=O)[O-])cc1Cl 40658303 YQZVIFBTEMBHCD-UHFFFAOYSA-N 479.280 4.209 50 10 JIGE COC(=O)c1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(F)cc1)CCC2 40811924 IBSGSVIWHBXEHZ-TURZUDJPSA-N 463.465 4.236 50 10 JIGE O=C(NNc1ccc(F)c(F)c1F)c1cc(-c2cccnc2)nc2c1cnn2Cc1ccco1 110959792 FOBZQMBJJUQXKK-UHFFFAOYSA-N 464.407 4.309 50 10 JIGE CCOC(=O)/C(C#N)=C(/Nc1ccccc1)SC(=O)/C=C/C(=O)Nc1ccc(C(C)=O)cc1 210098416 XICUHZMWSQYEHJ-ORQXDUDQSA-N 463.515 4.054 50 10 JIGE O=C(NC[C@H]1CC[C@@H](Br)C1)c1cc(I)ccc1Br 227683882 GOHHLWBXDQEKNU-DTWKUNHWSA-N 486.973 4.347 50 10 JIGE C[C@H](NC(=O)COc1ccc(C=NNC(=O)C(=O)Nc2cccc3ccccc23)cc1)c1ccccc1 254290783 QFRGYXVPCLOQHK-FQEVSTJZSA-N 494.551 4.185 50 10 JIGE COc1ccc(C=NNC(=O)CCC(=O)NN=Cc2ccc(OC)c3ccccc23)c2ccccc12 257354654 ZBEVDZGFZHCDTC-UHFFFAOYSA-N 482.540 4.391 50 10 JIGE C[C@H]1[C@@H](CBr)CCN1C(=O)c1ccc(I)c(Br)c1 721577655 KQSNIERZEGWXSI-WCBMZHEXSA-N 486.973 4.299 50 10 JIGE C/C(=C\c1ccccc1Cl)C(=O)NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 1440584706 UZCGWUXNWKNWBQ-WUKNDPDISA-N 457.921 4.452 50 10 JIGE O=C(OCc1ccccc1)N1C[C@H](c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@@H](CBr)C1 1614633493 LAEMGOQXAUWWSZ-MAUKXSAKSA-N 464.272 4.250 50 10 JIGE C=CCn1c(SCC(=O)NN[C@H](C)C(F)(F)F)nnc1-c1ccc(Cl)cc1Cl 1640987887 PKSAMHWEHFGIPI-SECBINFHSA-N 454.305 4.102 50 10 JIGE CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865712108 PSRXDVBZLBLKKN-NRFANRHFSA-N 493.907 4.376 50 10 JIGE O=C(N[C@H](CCBr)C(F)F)c1cc(Br)c(Br)s1 1918518022 BNVGNHHUUQMWFK-RXMQYKEDSA-N 455.944 4.422 50 10 JIGE Brc1cc(I)cnc1N1C[C@@H]2CC(Br)C[C@H]2C1 2015764753 CBEQHFNQHCXBAA-YUMQZZPRSA-N 471.962 4.058 50 10 JIGE CC(C)(C)OC(=O)NCCCN(C(=O)[C@H]1C[C@H]1Br)c1cccc(Br)c1 2076173753 SXULLDOKHQEHFH-LSDHHAIUSA-N 476.209 4.480 50 10 JIGE CCN1CC[C@@H]([C@@H](Br)c2ccc(Br)cc2Br)S1(=O)=O 2089525086 YJEZJNHMWYOAEH-RYUDHWBXSA-N 476.028 4.072 50 10 JIGE C[C@@H]1CN(C(=O)c2ccc(I)c(Br)c2)CC[C@H]1CCl 2109036462 TWYWEOPEYFKQPF-KOLCDFICSA-N 456.549 4.391 50 10 JIGE Cc1sc(CBr)cc1S(=O)(=O)N1CCCN(Cc2ccccc2)CCC1 2123238091 SXGHRWITROMHQG-UHFFFAOYSA-N 457.459 4.238 50 10 JIGE COc1c(Br)cc(C)cc1[C@H](Br)c1nn(C)nc1Br 2226972580 PIZIRPBILCCYJB-VIFPVBQESA-N 453.960 4.141 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1CC[C@H](Br)[C@H]2CC[C@H]21 2268347324 KXQQWANDVLJFSI-GBIKHYSHSA-N 454.533 4.333 50 10 JIGE COc1ccc(N2C(=O)[C@@H](Cc3ccccc3C)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314592897 DFSAQJDHOFWAFL-HSZRJFAPSA-N 473.554 4.339 50 10 JIGE COC(=O)C(C#N)=Cc1cccc(OC(=O)COc2ccc(Cl)cc2Br)c1 2314770561 IXDVQENOINFFEN-UHFFFAOYSA-N 450.672 4.167 50 10 JIGE C=CC[C@@H](Br)[C@H]1CCN1C(=O)c1ccc(I)c(Cl)c1 2335820062 DBOOBTDMKOLFDM-ZWNOBZJWSA-N 454.533 4.499 50 10 JIGE C[C@@H]1[C@@H](C(F)(F)F)N(C[C@]2(CBr)CC2(F)F)CCN1C(=O)OC(C)(C)C 2351892831 UUVXYSPFJJEWMG-UHIISALHSA-N 451.274 4.279 50 10 JIGE Cc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)NCc3ccco3)N(c3ccc(F)cc3)C2=O)cc1 1889011 CSFQXYDQRYEONH-SCIJIFGBSA-N 461.518 4.470 50 10 JIGE Cc1cc(NC(=O)CCCBr)n(-c2ncnc3c2cnn3-c2cccc(C)c2C)n1 13962731 HLGHVZNGQYUHIH-UHFFFAOYSA-N 468.359 4.040 50 10 JIGE Cc1ccc(OCC(=O)NNC(=O)COc2ccccc2-c2ccccc2)c(Br)c1 13979954 ZUPXGAWXKKKHKP-UHFFFAOYSA-N 469.335 4.030 50 10 JIGE CCCOc1ccc(Br)cc1C(=O)NNC(=O)CCC(=O)Nc1cc(C)ccc1C 14652687 ADTQNAKYBYUTGY-UHFFFAOYSA-N 476.371 4.035 50 10 JIGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNC(=O)COc1ccccc1)c1nc3cc(Cl)c(Cl)cc3nc12 33366414 XPLFFVGFHTWIIU-RPBOFIJWSA-N 499.398 4.492 50 10 JIGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)NCCCOC(C)C)c(C)c1 33590289 YPJMFGOQYBZOMO-QNGOZBTKSA-N 474.561 4.250 50 10 JIGE COc1ccc(C(=O)NNc2ncnc(Nc3cc(C(F)(F)F)ccc3Cl)c2N)cc1 40682705 YYBCGGVWZPEPPP-UHFFFAOYSA-N 452.824 4.240 50 10 JIGE COc1ccc(C(=O)NC2=N/C(=C(\C#N)C(=O)Nc3cc(C)cc(C)c3)c3ccccc32)cc1 102582872 OIGSXYAGNKKFHX-WCWDXBQESA-N 450.498 4.376 50 10 JIGE COc1ccc(CNC(=O)/C(C#N)=C2/N=C(NC(=O)c3ccc(Cl)cc3)c3ccccc32)cc1 102673656 YPEMFUBTMOXCBF-GHVJWSGMSA-N 470.916 4.090 50 10 JIGE CN1C(=O)/C(=N\NC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c2ccccc21 209978333 FTVWLJOBQURGEN-FAJYDZGRSA-N 454.530 4.347 50 10 JIGE CCOc1ccc(N(CC(=O)NN=Cc2c3ccccc3cc3ccccc23)S(C)(=O)=O)cc1 263627207 MDEDXHXZOSNLCX-UHFFFAOYSA-N 475.570 4.308 50 10 JIGE CN(C[C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(CCl)ccc1Br 383187579 RWUKTHYOEMECSV-GOSISDBHSA-N 471.848 4.331 50 10 JIGE C[C@H]1CN(S(=O)(=O)c2cc(Cl)c(Br)s2)C[C@H](C)C1Br 688092177 WBROIQMDKALYSH-BQBZGAKWSA-N 451.633 4.204 50 10 JIGE COc1ccc(N(CC(=O)NN=Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)cc1 1084002601 IUTVIDVYCMWXRT-UHFFFAOYSA-N 492.384 4.348 50 10 JIGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(Cl)cc2)c2ccccc2F)cc1 1084241171 OTKZKYZFEJEEHH-UHFFFAOYSA-N 459.930 4.133 50 10 JIGE C=CCn1c(SCC(=O)NNc2ccc([N+](=O)[O-])cc2C)nnc1-c1ccc(Cl)cc1 1556534090 CWPOTJAPSCGAMK-UHFFFAOYSA-N 458.931 4.237 50 10 JIGE Cc1ccc(C(=O)NNC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc(Cl)c2)CCC3)cc1 1772746238 SRTOWUMTIHHDNP-UHFFFAOYSA-N 478.936 4.095 50 10 JIGE CCOC(=O)c1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)Cc1ccccc1)CCC2 1772750211 XGMMRRPQHURQEL-UHFFFAOYSA-N 473.529 4.416 50 10 JIGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@H](c2cccc(OC)c2O)C(C#N)=C(N)O3)cc1 1865684030 LNGPDQUYVMIQLW-JOCHJYFZSA-N 466.497 4.480 50 10 JIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cc(C)ccc2C)cc(OC)c1OC 1865693159 SCJXAFQTCXNFMJ-HSZRJFAPSA-N 460.534 4.101 50 10 JIGE COCCCN1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc5c(c4)OCO5)cs3)cc2C1=O 1872752504 GKZMBMFYZVDCRR-PYCFMQQDSA-N 489.509 4.121 50 10 JIGE CC(C)[C@H](CBr)N(C)c1ncc(I)cc1Br 1902086794 JBJZENNBEMVYIV-JTQLQIEISA-N 461.967 4.304 50 10 JIGE C[C@@H]1OC[C@@H](Br)[C@H]1Cc1ccc(I)c(Br)c1 1904327774 ANVAUQYOYUIQGK-OVYXKVPISA-N 459.947 4.395 50 10 JIGE C[C@@H](Br)[C@@H]1CCN1C(=O)c1cc(I)ccc1Br 2011149675 SGFONEMOAFMROE-HQJQHLMTSA-N 472.946 4.052 50 10 JIGE C[C@H]1CC[C@H](CBr)N(c2ncc(I)cc2Br)C1 2015757027 NNMZYBQFDRUUNJ-WCBMZHEXSA-N 473.978 4.449 50 10 JIGE O=C(Nc1ccc(I)c(Br)c1)N1CCC(Br)CC1 2043823708 IWIUXDCNJRPOHP-UHFFFAOYSA-N 487.961 4.445 50 10 JIGE Cc1c(Br)sc([C@@H](Br)[C@@H]2[C@H]3CS(=O)(=O)C[C@H]32)c1Br 2054226817 MRQCSTHJTDMVHH-SZACMFPPSA-N 479.053 4.308 50 10 JIGE C=CC[C@@H](CBr)CNC(=O)c1cc(I)ccc1Br 2082056622 XZPAILCEETZSPA-VIFPVBQESA-N 486.973 4.371 50 10 JIGE O=S(=O)(C[C@@H](Cl)c1cc(Br)sc1Br)N1CCCCC1 2089398346 PWWINLPPUTVOIX-SECBINFHSA-N 451.633 4.369 50 10 JIGE C[C@H]1CN(Cc2ccccc2)C[C@@H](C)CN1S(=O)(=O)c1ccccc1CBr 2179809036 PHWTVAQEXFEGBH-MSOLQXFVSA-N 451.430 4.113 50 10 JIGE CC(C)(C)OC(=O)NC[C@H]1CC[S@](=O)(=NCCCCCI)C1(C)C 2214710881 DKAVNHKQHUWPMF-JBEBIEQOSA-N 472.433 4.383 50 10 JIGE Cc1ccc(C(=O)N[C@H]([C@@H](C)Br)C(F)(F)F)cc1I 2224627933 CANRUQLUBMJGPX-GMSGAONNSA-N 450.036 4.044 50 10 JIGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CCN(C(=O)[C@@H](Cl)c2ccccc2)CC1 2227921491 QHUBFBCJMVMUKW-IBGZPJMESA-N 482.021 4.283 50 10 JIGE CC(C)(C)OC(=O)N[C@H](C[S@@](C)(=O)=NCCCCI)C(C)(C)C 2243585684 FICMUMJBWUAQEH-JCQPUDPBSA-N 460.422 4.239 50 10 JIGE O=C(N[C@@H]1C[C@H]2C[C@H]1C[C@@H]2Br)c1ccc(Cl)c(I)c1 2268351233 KUIZOUVJXDKHLR-KEPMVKOISA-N 454.533 4.236 50 10 JIGE CNC(=O)C(C#N)=C1S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1cccc(OC)c1 2296506940 MIXPHWXRBQZUQR-GOSISDBHSA-N 462.358 4.174 50 10 JIGE COc1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2296720376 ZFEMQZLTQCXGFL-UHFFFAOYSA-N 452.470 4.350 50 10 JIGE C[C@@H](Br)c1cn(Cc2ccc(I)c(Br)c2)nn1 2306249457 OIPDTXVTKRURBQ-SSDOTTSWSA-N 470.934 4.149 50 10 JIGE O=C(N[C@H]1C[C@@H](CBr)[C@@H]2C[C@H]12)c1cc(I)ccc1Br 2329869874 JXTMBRHTQWVJSN-PYSAPBNWSA-N 498.984 4.203 50 10 JIGE N#C/C(=C/c1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 778283 SCASWGQCMLLMFO-BENRWUELSA-N 462.314 4.446 50 10 JIGE C[C@H](Oc1cccc2cccnc12)C(=O)N/N=C/c1cc(Br)cc(Br)c1O 3079822 JELODXVBFPGHAV-MOSLJXCSSA-N 493.155 4.383 50 10 JIGE COc1ccc(/C=N/NC(=O)c2cc(OCC(F)(F)F)ccc2OCC(F)(F)F)cc1 8624973 XBRFCNXKEOPYEW-JQAMDZJQSA-N 450.335 4.341 50 10 JIGE CCOc1ccccc1/C=N/NC(=O)COc1ccc(Br)cc1Br 12583865 CCNCOKAMBVWFTQ-KEBDBYFISA-N 456.134 4.139 50 10 JIGE C=CCOc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCCCCCC)cc2)cc1 14029194 MLRMLFOHEUALLP-UHFFFAOYSA-N 455.580 4.160 50 10 JIGE Cc1cc(OCC(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)cc(C)c1Cl 14644146 CLIPYFMTRGBVIQ-GFCCVEGCSA-N 490.181 4.366 50 10 JIGE O=C(NNC(=O)c1sc2ccccc2c1Cl)c1cccc(I)c1 15795893 RFRDYCUXDNWCHK-UHFFFAOYSA-N 456.692 4.234 50 10 JIGE C/C(=N\NC(=O)COc1c(Br)cc(C)cc1Br)c1cccc([N+](=O)[O-])c1 20072707 UNXNWGPMFXZPIJ-RGVLZGJSSA-N 485.132 4.347 50 10 JIGE N#CC1=C(N)OC2=C([C@H]1c1ccccc1)S(=O)(=O)N(Cc1ccc(F)cc1)c1ccccc12 20558438 REOXTPDNNIMDFE-QFIPXVFZSA-N 459.502 4.352 50 10 JIGE COc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2ccccc2OC)cc1 39858573 ZWQFSEUZPDWECF-ICFOKQHNSA-N 468.469 4.050 50 10 JIGE Cc1c(C(=O)N2CCc3ccccc3C2)oc2c1/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)CCC2 40813049 SXTUFNZIYFJPTD-SZXQPVLSSA-N 472.501 4.165 50 10 JIGE COc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)NC4CC(C)(C)NC(C)(C)C4)c(C)c32)c1 40822463 AAGABNLXFUOHQV-ZTKZIYFRSA-N 480.609 4.106 50 10 JIGE CN(Cc1cccc(Br)c1)S(=O)(=O)c1cc(CCl)oc1Br 91271681 PKMDJBHOYPMALZ-UHFFFAOYSA-N 457.571 4.364 50 10 JIGE O=S(=O)(NC[C@H]1CCC[C@@H]1CBr)c1cc(Br)ccc1Br 136725996 ZHTNZEUKSYTEAF-NXEZZACHSA-N 490.055 4.301 50 10 JIGE Cc1cc(O)ccc1NC(=O)/C(C#N)=C\N1CCN(C(c2ccccc2)c2ccccc2)CC1 217081799 RUVSBDABOZRLFR-GFMRDNFCSA-N 452.558 4.454 50 10 JIGE O=C(NC[C@@H]1CCC[C@H]1Br)c1cc(I)ccc1Br 232453576 RLZFWVVWZQXRFE-GZMMTYOYSA-N 486.973 4.347 50 10 JIGE CCOc1ccc([N+](=O)[O-])cc1C=NNC(=O)c1cccc(NC(=O)c2ccc(OC)cc2)c1 254432754 SSRGLNOEMVYYRB-UHFFFAOYSA-N 462.462 4.018 50 10 JIGE CCn1c(SCC(=O)NN=C/C(Cl)=C\c2ccccc2)nnc1-c1ccc(OC)cc1 254493722 UJWRXCGZIRTHGW-CDDDKTKPSA-N 455.971 4.448 50 10 JIGE O=C(CSc1ccc(Cl)cc1)NNC(=O)C1CCN(c2nc3ccccc3s2)CC1 727364361 UKNLVZVJJIDFNK-UHFFFAOYSA-N 461.012 4.106 50 10 JIGE Cc1ccc(Cn2nc(C)c(/C=C\C(=O)NNC(=O)Cc3cccc4ccccc34)c2C)cc1 1087470357 XIAZHVCRYYQRJW-NXVVXOECSA-N 452.558 4.413 50 10 JIGE CCOC1=C(C#N)[C@H](c2ccc(OC(C)=O)c(C(=O)O)c2)[C@H]2C(C)=NN(c3ccccc3)[C@@H]2O1 1088699395 OSPWKRGMLJTIIU-XPWALMASSA-N 461.474 4.034 50 10 JIGE CC(=O)c1cc(NC(=O)NNC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)ccc1F 1669803760 XBPHJCGRLICMJJ-UHFFFAOYSA-N 451.483 4.204 50 10 JIGE COc1cc(C=NNC(=O)COc2cc(C)c(Cl)c(C)c2Br)cc(OC)c1OC 1772756568 XKOMHVZJYRCPRP-UHFFFAOYSA-N 485.762 4.274 50 10 JIGE Cc1nc(-c2ccc(F)cc2F)ccc1C(=O)NNC(=O)COc1ccc(Cl)cc1Cl 1865759642 KQPXZEIEBGFAOJ-UHFFFAOYSA-N 466.271 4.482 50 10 JIGE C[C@H]1C[C@H](CBr)CN1C(=O)c1cc(Br)ccc1I 2038891542 UHHJINLFAOTSAI-DTWKUNHWSA-N 486.973 4.299 50 10 JIGE Cc1cccc(C(=O)N[C@](C)(CBr)C(F)(F)F)c1I 2105104522 NEVULURGEMSMGV-LLVKDONJSA-N 450.036 4.045 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@@H](Cl)C2(CCC2)C1 2108701520 NRRHXCKOGLWIKE-GFCCVEGCSA-N 454.533 4.287 50 10 JIGE C[C@H]1CN(Cc2ccccc2)C[C@@H](C)N(S(=O)(=O)c2ccsc2CBr)C1 2123287111 WKKBKYGVPLAINF-JKSUJKDBSA-N 457.459 4.174 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@H]2[C@@H](Cl)CC[C@H]2C1 2142278838 IRLRLDQTNPNCMY-AXTRIDKLSA-N 454.533 4.143 50 10 JIGE C[C@@]1(CBr)C=CCN1C(=O)c1ccc(I)c(Br)c1 2221472878 INTBYPDDHSWGOP-ZDUSSCGKSA-N 484.957 4.219 50 10 JIGE Cc1ccc(C(=O)N2C[C@@H](CBr)CC(C)(C)C2)cc1I 2232832518 CRBUQRVXSOBAGD-GFCCVEGCSA-N 450.158 4.483 50 10 JIGE CC(C)[S@@](=O)(=NCCCCI)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2243589690 SOOADPUNAOBOJV-FATZIPQQSA-N 458.406 4.087 50 10 JIGE CC(C)(CI)CN=[S@@]1(=O)CC[C@@H](CNC(=O)OC(C)(C)C)C1(C)C 2306816541 SIBAOXQTMWLKGO-RKNYENMMSA-N 472.433 4.239 50 10 JIGE CCOc1cc(C=C(C#N)C(=O)N(C)C)c(Br)cc1OCc1ccccc1C#N 2313567597 IQKANLXPRPPWHB-UHFFFAOYSA-N 454.324 4.294 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1CCC2CC1(CBr)C2 2336545439 HHAZBVKFEFOCED-UHFFFAOYSA-N 454.533 4.334 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@@](C)(C(=O)O)c1cc(Br)cs1 2349644599 WNJCMXORAYTJAR-MRXNPFEDSA-N 485.491 4.306 50 10 JIGE C[C@H](Cl)C[C@H]1CCCCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364194004 AMHDPUKUMMRZIL-ZWKOTPCHSA-N 455.020 4.045 50 10 JIGE C[C@H](Cl)CN(C1CCCC1)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2368865818 DPHXTJQTGKRSNF-KRWDZBQOSA-N 455.020 4.045 50 10 JIGE Cc1cc(Cl)ccc1OCC(=O)NNC(=O)COc1c(Cl)cc(Cl)cc1Br 9779717 JBOVTYODLYEMJS-UHFFFAOYSA-N 496.572 4.323 50 10 JIGE C/C(=N\NC(=O)COc1ccc(Br)cc1Br)c1cccc([N+](=O)[O-])c1 12584025 AIEQWUQMHHFSLF-VXLYETTFSA-N 471.105 4.039 50 10 JIGE CCCCOc1ccc(C(=O)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)cc1 14029916 ZGNWHQFPXIEMGA-UHFFFAOYSA-N 452.338 4.352 50 10 JIGE CC(C)CCOc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(OCC(C)C)cc2)c1 14644978 VKMDQVMIEDXIDY-UHFFFAOYSA-N 457.596 4.096 50 10 JIGE CCOc1ccc(/C=C(C#N)\C(O)=N\c2nc3ccc(S(C)(=O)=O)cc3s2)cc1OC 33378190 VWAAHKQYCWAQHV-ZROIWOOFSA-N 457.533 4.302 50 10 JIGE C/C(=N/NC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@H]2C)cc1)c1ccc(C)c([N+](=O)[O-])c1 33497124 UXSRFNCQDMJKET-CEQABCIXSA-N 466.538 4.226 50 10 JIGE COc1ccccc1NC(=O)/C(C#N)=C/c1c(Oc2ccccc2F)nc2ccccn2c1=O 39992993 NGZSYCBTLMRHKP-JQIJEIRASA-N 456.433 4.180 50 10 JIGE O=C(NNc1ncnc(Nc2ccccc2Cl)c1[N+](=O)[O-])c1ccc(Cl)c([N+](=O)[O-])c1 40648157 YAQROCCAOQISPC-UHFFFAOYSA-N 464.225 4.100 50 10 JIGE CCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(OCC)c(OC)c2)c(OC)c1 40890466 JWIMIBKZLWOKPI-ZNQUXATOSA-N 464.518 4.154 50 10 JIGE CCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc3cc(C(=O)NC(C)C)c(=O)oc3c2)cc1 40894492 KOOSZAPYUZJAJV-XDHOZWIPSA-N 460.486 4.233 50 10 JIGE COc1ccc([C@H](C(=O)NC2CCC(C)CC2)N(Cc2ccco2)C(=O)CCl)cc1OC 97914835 RHIWALVKAAERFY-OGRDWSCISA-N 462.974 4.300 50 10 JIGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1cccc(CC)c1 206738871 VKNMXNQFMQQEGN-BKUYFWCQSA-N 474.513 4.448 50 10 JIGE C[C@@H](C[C@@H](C)Br)NS(=O)(=O)c1cc(Br)ccc1Br 228247394 LDXSTODFPRBYST-SFYZADRCSA-N 464.017 4.052 50 10 JIGE COc1ccc(C(C)=NNC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2C)cc1 254431800 ATFOYLDKXDSUHZ-UHFFFAOYSA-N 472.570 4.335 50 10 JIGE Cc1ccc(CSc2nnc(SCC(=O)NN=Cc3ccccc3C(=O)O)s2)cc1 254812884 FDSJRRNLIYSJMO-UHFFFAOYSA-N 458.590 4.079 50 10 JIGE Cc1cc(C=NNC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c(C)n1-c1ccccc1 254861869 IKAHLSLUQYJMRK-UHFFFAOYSA-N 464.591 4.033 50 10 JIGE CCN(CCOCCBr)C(=O)c1ccc(Br)cc1Br 302379661 LVJSSQRSHNUCLO-UHFFFAOYSA-N 457.988 4.085 50 10 JIGE COc1cc(C=NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)ccc1OC(=O)c1ccncc1 916334948 HEKHAQCYCAJRQJ-GOSISDBHSA-N 469.497 4.380 50 10 JIGE CCCOc1ccc(C=NNC(=O)COc2ccc(I)cc2)c(OCCC)c1 1084157668 ZTYGRBNVHVVIQO-UHFFFAOYSA-N 496.345 4.398 50 10 JIGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NN=C1C(=O)N(C)c2ccc(Br)cc21 1084216814 MZGYIDDZLKBSBS-VIFPVBQESA-N 471.138 4.020 50 10 JIGE N#CCCn1cc(/C=C(\C#N)C(=O)OCc2ccc(C(=O)N3CCCC3)cc2)c(-c2ccccc2)n1 1248382174 HZOQJYBEOFAQFQ-JJIBRWJFSA-N 479.540 4.350 50 10 JIGE Cc1c(C(=O)N2CCCC[C@@H]2C)oc2c1C(=NNC(=O)c1cncc(Br)c1)CCC2 1772746981 JJCIPVQLHYIRKU-ZDUSSCGKSA-N 473.371 4.231 50 10 JIGE Cc1nc(-c2ccc(F)cc2F)ccc1C(=O)NNC(=O)CCc1ccccc1Br 1865759601 IPGMEMYUPXBBRJ-UHFFFAOYSA-N 474.305 4.492 50 10 JIGE COCCN1[C@H](C)CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3cccnc3)n2)C[C@H]1C 1868565090 HJYQQJYMPFXNKX-RTBURBONSA-N 475.622 4.401 50 10 JIGE C[C@H](Br)C1(NC(=O)c2cc(I)ccc2Br)CC1 1913518726 VJTRXWPOAMBVGL-ZETCQYMHSA-N 472.946 4.100 50 10 JIGE O=C(N[C@H](CCBr)C(F)(F)F)c1cc(Cl)ccc1I 1918554601 UMNNPRZJDFSYIJ-SECBINFHSA-N 470.454 4.390 50 10 JIGE CC(C)(C)OC(=O)N(CCNC(=O)[C@@H](Br)C1CCCC1)OCc1ccccc1 1955039238 SXKQOJPKQYHPFX-SFHVURJKSA-N 455.393 4.425 50 10 JIGE C[C@@H]1CCN(c2ncc(I)cc2Br)C[C@H]1CBr 2015763431 YINYAFXTHRJPMF-RKDXNWHRSA-N 473.978 4.306 50 10 JIGE CC1(C)C[C@@H](CBr)N(c2ncc(I)cc2Br)C1 2015763946 GOTKXWLZZGMHLR-VIFPVBQESA-N 473.978 4.449 50 10 JIGE C[C@H](CCCCCI)NC(=O)c1ccccc1I 2054161557 LSDQVGRMDQBCOL-LLVKDONJSA-N 471.120 4.405 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1ccc(F)c(Br)c1 2061268449 TZINCFDZJLAYFD-UHFFFAOYSA-N 453.399 4.224 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@H](Cl)CC12CCC2 2099383415 OWNBAUKEOFITKM-SECBINFHSA-N 454.533 4.430 50 10 JIGE O=C(NC[C@H](Cl)CC(F)(F)F)c1cc(I)ccc1Br 2119065800 ICQANRKCDZESIC-ZCFIWIBFSA-N 470.454 4.343 50 10 JIGE CC1(C)CC(CBr)(CNC(=O)Cc2ccccc2I)C1 2158300779 HKBFMUFILOPLAR-UHFFFAOYSA-N 450.158 4.151 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1CCC(F)(CBr)CC1 2268344908 MRWJJRJCWYHGRO-UHFFFAOYSA-N 460.512 4.284 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N1CCC[C@H](CBr)C1 2277916663 HFPUXJSQEHVECK-SNVBAGLBSA-N 454.000 4.388 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)NC[C@]1(F)C[C@H](CBr)C1 2295308833 BHSHGEZZGVFHPC-YPFXGUDJSA-N 471.990 4.384 50 10 JIGE O=C(NN=Cc1c(O)ccc2ccccc12)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2295483023 RYUMENPZWADIHQ-UHFFFAOYSA-N 479.492 4.195 50 10 JIGE CCOc1ccc(-n2c(C)cc(C=C(C#N)C(=O)OCc3cc(=O)n4cc(C)ccc4n3)c2C)cc1 2297393013 LMROQCYHAASXIO-UHFFFAOYSA-N 482.540 4.460 50 10 JIGE CC(C)(C)OC(=O)N1C[C@H](I)[C@H](OCc2cc(C(C)(F)F)ccn2)C1 2327983600 PLVYETASSPQVGM-UONOGXRCSA-N 468.282 4.133 50 10 JIGE O=C(N[C@@H]1C[C@@H](CBr)[C@H]2C[C@H]21)c1cc(Br)cc(Br)c1 2329877318 BUXKASFAYLEXOU-BXGBBSSXSA-N 451.984 4.361 50 10 JIGE CC(C)(C)OC(=O)N1CCC12CCS(=O)(=NC[C@]1(CBr)CC1(F)F)CC2 2351886124 ULLSLTOEJLFZAM-SBOLLAQSSA-N 457.381 4.048 50 10 JIGE CC(C)(C)OC(=O)NCC[C@H]1CCN(C(=O)C2CC(Br)C2)[C@@H](C(F)(F)F)C1 2362758801 YZFLAWMXSMDDQN-GFJIZPEISA-N 457.331 4.244 50 10 JIGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H](CBr)C1CCCCC1 2364192010 YGBXWJUVRJGVJO-HXUWFJFHSA-N 499.471 4.106 50 10 JIGE CCn1cnc(CC(CBr)(CBr)c2cccc(Br)c2)n1 2367546171 GIMDILQCNNCJES-UHFFFAOYSA-N 466.015 4.331 50 10 JIGE O=C(N/N=C/c1sc(Br)c(Br)c1Br)c1ccncc1 2950217 QIKVDTXURVWYTL-FZSIALSZSA-N 467.968 4.195 50 10 JIGE Cc1cc(OCC(=O)N/N=C/c2cccc(Br)c2)nc(SCc2ccccc2)n1 3047808 BQSMZECIFLWSPR-FSJBWODESA-N 471.380 4.369 50 10 JIGE COc1ccc(C=NNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1Br 16226629 UEBMDFIXYYUOLR-UHFFFAOYSA-N 464.319 4.076 50 10 JIGE CCCCCN1C(=O)/C(=N/NC(=O)COc2ccc(Cl)cc2Cl)c2cc(OC)ccc21 33959377 AUFPXQQGRCBCSC-YYADALCUSA-N 464.349 4.438 50 10 JIGE COc1ccccc1NC(=O)/C(C#N)=C\c1c(Oc2ccccc2OC)nc2ccccn2c1=O 39858824 SNHWTIXMEGSBLY-ICFOKQHNSA-N 468.469 4.050 50 10 JIGE Nc1c(NNC(=O)c2ccccc2Cl)ncnc1Nc1ccc(Br)cc1F 40784850 SICQIDZORMJPDZ-UHFFFAOYSA-N 451.687 4.114 50 10 JIGE COc1ccccc1C(=O)N/N=C1\C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21 59156685 ISEPEJBTJFGKGT-QLYXXIJNSA-N 482.309 4.278 50 10 JIGE COc1ccc(/C=C(/C#N)C(=O)OCC(=O)Nc2ccc(Br)cc2Br)cc1 89438514 KZIUUXLQKNHINQ-JYRVWZFOSA-N 494.139 4.309 50 10 JIGE Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)NNc3ccc([N+](=O)[O-])cc3)C2=O)cc1 103037854 WNQHJNRGMACFDH-QGOAFFKASA-N 456.549 4.028 50 10 JIGE C[C@@H]1CCN(C(=O)c2cc(I)ccc2Br)[C@H]1CBr 235347331 BUWRUNZXAHXSMU-PELKAZGASA-N 486.973 4.299 50 10 JIGE C[C@H]1[C@H](CI)[C@@H](I)C[C@@H](C)N1C(=O)OC(C)(C)C 307742234 UJALOFWTHLDROB-RCWTZXSCSA-N 479.140 4.259 50 10 JIGE COc1cc([N+](=O)[O-])ccc1-n1nc(C)c(C=NNC(=O)COc2ccc(Cl)cc2Cl)c1C 1084097006 OPZGVSVITZKSGK-UHFFFAOYSA-N 492.319 4.242 50 10 JIGE COc1ccccc1N(CC(=O)NN=Cc1ccc(OCC(C)C)cc1)S(=O)(=O)c1ccccc1 1084606750 UMOVNXUVBKKAPN-UHFFFAOYSA-N 495.601 4.076 50 10 JIGE CC(=O)N(c1ccc(NC(=O)NNC(=O)CCCOc2ccc(Cl)cc2C)cc1)C1CC1 1678098519 DMDVOGRENXSPOM-UHFFFAOYSA-N 458.946 4.176 50 10 JIGE CC(C)c1ccc(/C=C/C(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 1860772209 VFMFWEKFMRQENC-HARXRPJJSA-N 478.618 4.128 50 10 JIGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cc(C)ccc2C)cc(Cl)c1O 1865707098 NNSZSVUNLFTCJG-NRFANRHFSA-N 450.926 4.442 50 10 JIGE COc1cccc(/C=N/NC(=O)COc2ccc3c(C)cc(=O)oc3c2)c1OCc1ccccc1 1873792623 IQQNVMWSPYYPRO-RWPZCVJISA-N 472.497 4.218 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@H](Cl)CC2(CC2)C1 1925986623 DWQOMBPQEALAKS-SNVBAGLBSA-N 454.533 4.287 50 10 JIGE O=S(=O)(C[C@H](Br)c1cc(Br)cc(Br)c1)N1CCCC1 2089388397 CGTLZQMLMDYCDG-LBPRGKRZSA-N 476.028 4.073 50 10 JIGE C[C@H](Br)CN1CCN(Cc2c(Br)cccc2Br)CC1 2113862677 ZBZHKHQYXLTAQV-NSHDSACASA-N 455.032 4.113 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@@H]2[C@H](CBr)C[C@H]2C1 2117680407 GWEKIWBVNLOBSX-HOTUBEGUSA-N 498.984 4.157 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1[C@H](CBr)[C@H]2CC[C@@H]1C2 2122170164 HSSUAOABZWPFRS-IYYTYJHQSA-N 498.984 4.442 50 10 JIGE Cc1cc(S(=O)(=O)N2CC3(CC(OCc4ccccc4)C3)C2)sc1CBr 2123242947 CPKPIHJOKYDOMN-UHFFFAOYSA-N 456.427 4.321 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@@H]2CC[C@H](Cl)[C@H]2C1 2142278840 IRLRLDQTNPNCMY-UWJYBYFXSA-N 454.533 4.143 50 10 JIGE CCN1CCC[C@@H]([C@@H](Br)c2ccc(Br)cc2Br)S1(=O)=O 2145757690 GEYNCBXHUQZLCE-STQMWFEESA-N 490.055 4.462 50 10 JIGE CN(C(=O)Cc1ccccc1I)[C@H]1CCCCC[C@H]1Br 2172538950 HKGIKXAEHZTCMS-HIFRSBDPSA-N 450.158 4.388 50 10 JIGE O=S1(=O)C[C@@H]2[C@H]([C@@H](Br)c3scc(C(F)(F)F)c3Br)[C@@H]2C1 2174594571 OZIZMUDLQJWYFB-BBERBSMNSA-N 454.127 4.256 50 10 JIGE Cc1cc(S(=O)(=O)N2C[C@H](C)CN(Cc3ccccc3)C[C@@H]2C)sc1CBr 2179823570 LDURMOBUYDFLEM-WBVHZDCISA-N 471.486 4.483 50 10 JIGE O=S(=O)(c1ccsc1CBr)N1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 2179869844 DBSMRQJSPTUSHH-ROUUACIJSA-N 469.470 4.318 50 10 JIGE COc1ccc(Br)cc1S(=O)(=O)N(CCBr)Cc1ccccc1 2211288273 IWOXSRCCGRMAMS-UHFFFAOYSA-N 463.191 4.044 50 10 JIGE Cc1ccc(C(=O)N2[C@H]3CC[C@H]2[C@@H](F)[C@@H](Br)C3)cc1I 2232838904 NHCFJYXDPUYBSP-IMIFBBOLSA-N 452.105 4.078 50 10 JIGE C[C@@]1(CBr)CC(F)(F)CN1C(=O)c1c(F)cccc1I 2282780357 MVJCKQUULYMXBE-LBPRGKRZSA-N 462.047 4.065 50 10 JIGE C[C@H](NC(=O)c1ccc(Cl)c(I)c1)c1nnc(CBr)s1 2283667855 JLLHFQQDCAXDBC-LURJTMIESA-N 486.560 4.182 50 10 JIGE COc1ccc(NC(=O)C(C#N)=Cc2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)cc1 2313624419 RWGZPVHAVLJOFP-UHFFFAOYSA-N 456.546 4.485 50 10 JIGE CCN(CC)Cc1ccc(C=NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 2325903389 KAZVVTGWSJFBAI-ZWKOTPCHSA-N 479.650 4.136 50 10 JIGE COc1ccc(-c2csc(C(C#N)=C(O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n2)cc1C 2331260160 LBCQODLZZXIYPF-UHFFFAOYSA-N 476.470 4.124 50 10 JIGE C[C@H]1CN(C(=O)c2ccc(Cl)cc2I)C[C@H](C)C1Br 2340056866 HAVLQJBSMYJTFG-IUCAKERBSA-N 456.549 4.436 50 10 JIGE COCCn1nc(Br)nc1C[C@H](Br)c1cccc(Br)c1 2382122916 QWFPDXRTPKNGLU-NSHDSACASA-N 467.987 4.128 50 10 JIGE COc1cc(/C=C(/C#N)C(=O)NC[C@H]2CCCO2)cc(Br)c1OCc1ccccc1 853978 XIVIEAFPHLGOLY-XLYVWGIVSA-N 471.351 4.239 50 10 JIGE COc1cc(C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2C(C)(C)C)cc(OC)c1OC 14661695 CTUXXFMTMJIYAC-UHFFFAOYSA-N 472.582 4.147 50 10 JIGE COc1ccc(/C(C#N)=C\c2ccc(OC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)cc2)cc1OC 31901006 QRMCJRLWSWWHLD-QNGOZBTKSA-N 492.553 4.237 50 10 JIGE CC(C)(CCl)C(=O)N1CCCN(C(=O)CN2CCc3sccc3[C@@H]2c2cccc(F)c2)CC1 34788599 HCIXEFRJFULDQT-QHCPKHFHSA-N 492.060 4.161 50 10 JIGE COc1ccc2cc(Br)ccc2c1CC(=O)NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 35550880 LBESZDZFBVVJFI-UHFFFAOYSA-N 492.713 4.176 50 10 JIGE COc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4ccc(OC)cc4OC)c(C)c32)c1 40822309 YCNHJGXQGCNAEP-VFCFBJKWSA-N 477.517 4.337 50 10 JIGE C#CCOc1c(Br)cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc1Br 58889189 BHRJYDGPTDZPFA-VLZFXTDASA-N 494.183 4.188 50 10 JIGE Nn1c(SCC(=O)N/N=C/c2ccccc2OCc2ccccc2Cl)nnc1-c1ccccc1 58991745 IYHJPHVKHMKPBY-MZJWZYIUSA-N 492.992 4.134 50 10 JIGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C1/C(=O)N(CCN2CCCCC2)c2ccccc21 59155635 RBGNLQHDCCKVFX-KAAJHJJKSA-N 489.403 4.114 50 10 JIGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)N/N=C(/C)c1ccc([N+](=O)[O-])cc1 59475508 YRRYYXWGFNCVFR-MYYYXRDXSA-N 499.984 4.270 50 10 JIGE O=S(=O)(NCc1cccc(CCl)c1)c1cc(Br)ccc1Br 96873241 NSAXRXWPBUNXDN-UHFFFAOYSA-N 453.583 4.429 50 10 JIGE CC(C)N(CCBr)S(=O)(=O)c1cc(Br)ccc1Br 124280034 DVKICJWGHOHRHL-UHFFFAOYSA-N 464.017 4.006 50 10 JIGE O=S(=O)(NC[C@H]1CCCC[C@@H]1Br)c1cc(Cl)c(Br)s1 136961468 WHCYSFJWZDXEFQ-SFYZADRCSA-N 451.633 4.396 50 10 JIGE C[Si](C)(CCCOC[C@H]1CO1)O[Si](C)(O[Si](C)(C)CCCOC[C@@H]1CO1)c1ccccc1 201281334 GVYJNBPRFDRDPE-OFERVTHNSA-N 498.841 4.020 50 10 JIGE O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)NN=C/C=C/c1ccccc1[N+](=O)[O-] 254380705 ISSSHYLVLSARCH-GIDYDYLNSA-N 485.525 4.201 50 10 JIGE C[C@H]1CN(C(=O)c2cc(I)ccc2Br)C[C@@H](C)[C@@H]1Cl 688087102 PBCYLTHISNTQBH-WOFXILAISA-N 456.549 4.389 50 10 JIGE O=S(=O)(NCC1(N(Cc2ccccc2)Cc2ccccc2)COC1)c1ccccc1CCl 705865100 QBFPEJZCFXPBJA-UHFFFAOYSA-N 471.022 4.175 50 10 JIGE O=C(N[C@H](CBr)CC(F)F)c1cc(I)ccc1Br 717775693 HLJCNWIZGSYCAP-ZETCQYMHSA-N 496.915 4.202 50 10 JIGE O=C(NNC(=O)N1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1)c1c(Cl)cccc1Cl 727846446 RBGVDMNPUXKBEE-QGZVFWFLSA-N 481.767 4.449 50 10 JIGE CC(C)(C)OC(=O)Nc1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)cc1 1858081896 OKBMGCAZSAHIGZ-UHFFFAOYSA-N 454.310 4.180 50 10 JIGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1cc(OC)c(O)c(OC)c1)C(C#N)=C(N)O2 1865714036 BCTWTKPSXLIOTM-IBGZPJMESA-N 497.349 4.138 50 10 JIGE O=C(CCc1nc2ccccc2[nH]c1=O)N/N=C/c1cccc(OCc2cccc(Cl)c2)c1 1873496146 FQINBPXHBOHSCO-JFLMPSFJSA-N 460.921 4.238 50 10 JIGE O=C(N[C@H](CBr)C[C@@H]1CCCO1)c1csc(Br)c1Br 1926734876 GNCBXOVNMDQPTJ-YUMQZZPRSA-N 476.028 4.336 50 10 JIGE C[C@@H]1[C@@H](CBr)CCN1c1ncc(I)cc1Br 1988531665 VXFJLPFVTKNSQC-HTQZYQBOSA-N 459.951 4.058 50 10 JIGE BrC[C@]12CCC[C@H]1CN(c1ncc(I)cc1Br)C2 2069535422 HKSKFASQHNDTPG-ZANVPECISA-N 485.989 4.450 50 10 JIGE CCN([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(CBr)sc1C 2123242463 WYUWUSIEBMYCJT-KRWDZBQOSA-N 457.459 4.237 50 10 JIGE O=S(=O)(NC[C@H](CBr)C1CC1)c1c(Cl)cc(Br)cc1Cl 2146172655 MJEBYHWEDXEJDV-QMMMGPOBSA-N 466.022 4.455 50 10 JIGE Cc1cc(CCl)cc(S(=O)(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)c1Br 2152158245 ICVPQBDFZQCJMJ-SFHVURJKSA-N 471.848 4.391 50 10 JIGE O=S(=O)(NC[C@]1(CBr)CC12CCC2)c1cc(Cl)c(Br)s1 2154193752 GWENXCUOVRCKNU-GFCCVEGCSA-N 463.644 4.398 50 10 JIGE CC(C)[C@H](C)[C@@H](CNS(=O)(=O)c1ccc(CBr)cc1)NC(=O)OC(C)(C)C 2162588694 ISXOATIICHSIQT-WMLDXEAASA-N 463.438 4.045 50 10 JIGE C[C@@H]1C[C@H](CBr)CCN1S(=O)(=O)c1cc(Br)ccc1Br 2172484424 CQPHQLXKPYUJDO-NXEZZACHSA-N 490.055 4.396 50 10 JIGE O=S(=O)(c1ccc(CCBr)s1)N1CC[C@H]2CC[C@@H](C1)N2Cc1ccccc1 2179824789 ZFIAJWUOHYUVDC-MSOLQXFVSA-N 469.470 4.113 50 10 JIGE O=C(N[C@H](CBr)[C@@H]1CC=CCC1)c1ccc(F)cc1I 2196154517 FAIIYJWYJNSSHP-QMTHXVAHSA-N 452.105 4.280 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1C[C@@H]2CC(Br)C[C@H]2C1 2268343074 BBDWQFULUIRCSQ-UWVGGRQHSA-N 454.533 4.190 50 10 JIGE O=S1(=O)CCCC[C@H]1[C@H](Br)Cc1cc(Br)cc(Br)c1 2277961406 SYFAHGCCHSSPTD-OLZOCXBDSA-N 475.040 4.485 50 10 JIGE O=S1(=O)C[C@H]2[C@@H](C1)[C@@H]2[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2288345110 BVYGRPWABJJWOU-BCDWUSSUSA-N 494.977 4.216 50 10 JIGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N2CCOCC2)c1 2314476709 UGQVLKVUTBBZLL-UHFFFAOYSA-N 456.546 4.484 50 10 JIGE COc1cc(C=C2C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 2314620795 VIDJTCHRPADNMX-UHFFFAOYSA-N 488.540 4.128 50 10 JIGE N#CC(=CN(Cc1ccccc1)Cc1ccccc1)C(=O)N1CCN(Cc2ccccc2)CC1 2325448822 KZQDXLZMNVXGDK-UHFFFAOYSA-N 450.586 4.441 50 10 JIGE COC(=O)[C@H](Br)C1(Oc2cc(Br)cc(Br)c2)CCC1 2338706979 DNCWWWVNAUYQAT-NSHDSACASA-N 456.956 4.450 50 10 JIGE N[C@H](CSSC[C@H](N)CC1CCC(CC(=O)O)CC1)CC1CCC(CC(=O)O)CC1 13736520 KOSYXJAUSIIJSK-LRSVDANFSA-N 460.706 4.365 50 10 JIGE O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)c1c[nH]c(=S)n1-c1ccccc1 24581413 AGPDDUSCJMZOGR-UHFFFAOYSA-N 465.362 4.462 50 10 JIGE CCCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)/C=C\c2cccc3ccccc23)cc1 33565106 RLIBWYUENAERMB-VKAVYKQESA-N 474.586 4.317 50 10 JIGE Cc1ccc(S(=O)(=O)/C(C#N)=C\c2c(Oc3ccc(F)cc3)nc3ccccn3c2=O)cc1 33688824 SJIWIILSEUITHF-ZHZULCJRSA-N 461.474 4.273 50 10 JIGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc([N+](=O)[O-])cc3)ccc2[C@@H]1c1cccc(Cl)c1 38651190 VIVSZSBWBLGLAN-QHCPKHFHSA-N 477.860 4.451 50 10 JIGE CCN(c1ccccc1)c1ncnc(NNC(=O)c2ccc(Br)cc2)c1[N+](=O)[O-] 40573463 PUTDWYSBJDWACD-UHFFFAOYSA-N 457.288 4.062 50 10 JIGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cc(C)n(-c3ccccc3C(=O)OC)c2C)cc1 58894383 YRJFSGYVZUYURQ-GLYRRZRCSA-N 477.561 4.243 50 10 JIGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3cccc(Br)c3)cc2)c1 100446169 SQIAKMSCUVDONF-UHFFFAOYSA-N 452.308 4.085 50 10 JIGE Cc1cc(C)cc(NC(=O)COc2ccccc2C=NNC(=O)C(=O)Nc2ccccc2Cl)c1 252624055 PFFFCQIAPQXQTD-UHFFFAOYSA-N 478.936 4.063 50 10 JIGE Cc1cccc(OCC(=O)NN=Cc2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)c1 254858343 OSNKUXAUNFTUSN-UHFFFAOYSA-N 450.407 4.133 50 10 JIGE C[C@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2S(=O)(=O)c1cc(Cl)c(Br)s1 686174692 GXWBZGFNRVTBNE-PYHGXSLLSA-N 463.644 4.489 50 10 JIGE Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)NNC(=O)c1cn(C)c2ccccc12 729232491 KHWYSTCQBBLYPG-AWEZNQCLSA-N 451.527 4.455 50 10 JIGE O=C(NN=C1C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21)c1ccc([N+](=O)[O-])cc1 1084632521 SMEBUXXYSFGJFE-UHFFFAOYSA-N 497.280 4.177 50 10 JIGE C=C[C@H](C)ONC(=O)NNc1c(Br)cc(Br)cc1Br 1683735645 NWHJOIQAVMGZRR-LURJTMIESA-N 457.948 4.106 50 10 JIGE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NNC(=O)c1ccc(COc2ccc(Cl)c(C)c2)cc1 1686315034 DCDJOLIPADRQLV-UGKGYDQZSA-N 457.958 4.153 50 10 JIGE CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)Nc3ccc(SC#N)cc3)CC2)cc1 1858625506 MPOKOPLGIVABCJ-UHFFFAOYSA-N 458.609 4.096 50 10 JIGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccn2)ccc1O 1865681214 HYLISBJCVFUKNK-HSZRJFAPSA-N 481.512 4.265 50 10 JIGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@@H](c2ccc(OC)cc2OC)C(C#N)=C(N)O3)cc1 1865708445 WYMQEOXWULZVGH-QHCPKHFHSA-N 481.512 4.178 50 10 JIGE O=S1(=O)CCC[C@H]1[C@@H](Br)c1sc(Cl)cc1I 1900962703 IJQQODIWMDSKLY-POYBYMJQSA-N 455.564 4.019 50 10 JIGE CN(Cc1nccn1Cc1ccccc1)S(=O)(=O)c1cc(CCl)ccc1Br 1915039548 MKQJQFMJPVICIY-UHFFFAOYSA-N 468.804 4.253 50 10 JIGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@H](CBr)CC1CCCCC1 1926788305 YWXMECFKFQRICW-SFHVURJKSA-N 499.471 4.106 50 10 JIGE C[C@@H](CBr)N(Cc1ccccc1)S(=O)(=O)C1CC(OCc2ccccc2)C1 1954526974 PDDAKBORUKMVHV-RPCJCACASA-N 452.414 4.350 50 10 JIGE O=C(NCCNS(=O)(=O)c1ccc(CCl)cc1)OCC1c2ccccc2-c2ccccc21 1960171275 LXWCNGVUAANZCI-UHFFFAOYSA-N 470.978 4.242 50 10 JIGE CN(CCCCCBr)c1ncc(I)cc1Br 1988539876 QFHGNROPYCRSFY-UHFFFAOYSA-N 461.967 4.450 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CC[C@@H](CCBr)C1 2086147625 PLQGSIJWDAXLRV-SECBINFHSA-N 486.973 4.301 50 10 JIGE Clc1cc(Br)c(-n2cc(COCCBr)nn2)c(Br)c1 2089828631 XCFDMJGBYVUHNH-UHFFFAOYSA-N 474.378 4.357 50 10 JIGE CCN1CCC[C@@H]([C@H](Cl)c2csc(Br)c2Br)S1(=O)=O 2093943936 AZHOGZVPKVUGFW-WCBMZHEXSA-N 451.633 4.367 50 10 JIGE O=S1(=O)CC[C@H]([C@@H](CBr)Cc2c(Br)cccc2Br)C1 2094095451 MGHJFBCWZVTSJB-VHSXEESVSA-N 475.040 4.200 50 10 JIGE O=C(NC1(CBr)CCCCCCC1)c1cc(I)sn1 2120026219 NXGZFFOHBCFCIK-UHFFFAOYSA-N 457.175 4.356 50 10 JIGE O=C(Cc1ccccc1I)NC[C@H]1CCC[C@H](CBr)C1 2143867283 AFIMFXWVAJACMJ-STQMWFEESA-N 450.158 4.151 50 10 JIGE C[C@H]1CC[C@@H](CBr)N(S(=O)(=O)c2cc(Br)ccc2Br)C1 2166915033 HPFDSYLDASHPMC-ONGXEEELSA-N 490.055 4.396 50 10 JIGE CCC[C@H]1CN(C(=O)c2ccc(F)cc2I)C[C@H]1CBr 2205703465 NEQZNHQMRHFMIH-WDEREUQCSA-N 454.121 4.314 50 10 JIGE CN(C[C@@H]1C[C@H]1Br)C(=O)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229115979 ZZPLLDTYAOMQEG-NUEKZKHPSA-N 490.236 4.127 50 10 JIGE COc1c(C)cc(Br)c(C)c1[C@H](Br)c1nn(C)nc1Br 2235270959 XIFLIVXWTSQNIP-JTQLQIEISA-N 467.987 4.450 50 10 JIGE C[C@H](Br)C12CCC(CC1)N2C(=O)c1c(F)cccc1I 2282809715 UETAZKGDZKXVCH-YLTRJXTNSA-N 452.105 4.351 50 10 JIGE COCCN(C[C@@H](C)Br)C(=O)Cc1cc(Br)cc(Br)c1 2295313586 LVHVJNXEOYQSIY-SNVBAGLBSA-N 472.015 4.013 50 10 JIGE COc1cc(C=NNC(=O)c2ccc3nc(-c4ccccc4Cl)[nH]c3c2)cc(OC)c1O 2323743381 RZSQOQZHFPOGGQ-UHFFFAOYSA-N 450.882 4.370 50 10 JIGE CCN(CC)c1ccc(C=NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 2325903230 IDGXEAIOOUPBCR-IRXDYDNUSA-N 465.623 4.140 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1CC[C@@H](Br)[C@@H]1C1CC1 2340055969 BUZHOLZRTKLILT-YPMHNXCESA-N 454.533 4.333 50 10 JIGE C[C@H](Br)C[C@H]1COCCN1Cc1ccc(Cl)cc1I 2341009303 JJLVNJRMHJDMTR-GWCFXTLKSA-N 458.565 4.319 50 10 JIGE CN([C@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]12)S(=O)(=O)CCC(F)(F)CBr 2357091649 NFOOVCKMYNKBNI-MHORFTMASA-N 466.388 4.052 50 10 JIGE COc1ccc([C@H](Br)[C@H]2COC3(CCC3)CO2)cc1I 2364133462 DRVSOFQPKLISFE-KGLIPLIRSA-N 453.114 4.074 50 10 JIGE COc1cc(CCl)cc(Br)c1OCc1nn(C)cc1I 2367626546 SUQDNNVQKZQQOG-UHFFFAOYSA-N 471.520 4.114 50 10 JIGE CCO[C@H](CCl)/[S@@](=N\S(=O)(=O)c1ccccc1)c1ccccc1I 4577367 ZXJBTHAZKWUVHT-QMHKHESXSA-N 497.807 4.442 50 10 JIGE Cc1cc(Br)ccc1OCC(=O)NNC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 14665887 PFRWIJCKSORMMU-OAHLLOKOSA-N 463.372 4.049 50 10 JIGE Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1 18050877 XTANIOCYRQLVGO-OAHLLOKOSA-N 466.900 4.355 50 10 JIGE O=C(NNc1ncnc(N(Cc2ccccc2)Cc2ccccc2)c1[N+](=O)[O-])c1ccccc1 40607314 GUAVNVCZRYIGDN-UHFFFAOYSA-N 454.490 4.349 50 10 JIGE COC(=O)c1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(OC)cc2)CCC3)cc1 40813878 SFIWZWWGVSZJNQ-VFCFBJKWSA-N 475.501 4.106 50 10 JIGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(C)n(-c3cccc(C(=O)OC)c3)c2C)cc1 58893400 XSAAJBMVWWEYNA-YNAQZEJMSA-N 477.561 4.243 50 10 JIGE N#C/C(=C\c1ccc2c(c1)OCO2)C(=O)/N=C1/c2ccccc2CN1c1cccc([N+](=O)[O-])c1 102928047 SVKPQZITSXAYOU-MNEOSPDGSA-N 452.426 4.224 50 10 JIGE CC(C)N(CCCBr)S(=O)(=O)c1cc(Br)ccc1Br 125773408 FGARVHUCEYMCHR-UHFFFAOYSA-N 478.044 4.396 50 10 JIGE Cc1ccc2nc(-c3ccc(N/C=C(/C#N)C(=O)Nc4ccc(S(N)(=O)=O)cc4)cc3)sc2c1 217006312 LJDBTDRUXZLKDN-VKAVYKQESA-N 489.582 4.377 50 10 JIGE CC(=NNC(=O)c1c(Br)c(C)nn1C)c1cccc(NC(=O)c2ccccc2C)c1 252630866 VFFSEEMAXGTGCH-UHFFFAOYSA-N 468.355 4.206 50 10 JIGE COc1ccc(S(=O)(=O)N(CC(=O)NN=C(C)C(C)(C)C)c2cc(C)cc(C)c2)cc1OC 254296133 ZDAJFKRRAKTCHQ-UHFFFAOYSA-N 475.611 4.054 50 10 JIGE COc1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)cc1O 382703868 QULVRTHVZCNXHZ-SJORKVTESA-N 467.303 4.188 50 10 JIGE C[C@H]1C[C@@H](Br)CN(S(=O)(=O)c2cc(Br)ccc2Br)C1 401894869 JJOKLFQAOQVZKF-WCBMZHEXSA-N 476.028 4.006 50 10 JIGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(C)n(-c3cccc(C(=O)OC)c3)c2C)cc1 725419381 XSAAJBMVWWEYNA-VWLOTQADSA-N 477.561 4.243 50 10 JIGE Cc1cc2ncn(CC(=O)NN=C3C(=O)N(C/C=C\c4ccccc4)c4ccccc43)c2cc1C 1083905414 BCBFFGSBQTYOSP-SKHRCPRBSA-N 463.541 4.234 50 10 JIGE COc1ccc(C(=O)NN=C2C(=O)N(CCc3ccccc3)c3ccc(Br)cc32)cc1 1084010515 MDDMZGBWAOXPPH-UHFFFAOYSA-N 478.346 4.181 50 10 JIGE Cc1c(Br)c(C=NNC(=O)COc2ccccc2[N+](=O)[O-])c(C)n1-c1ccccc1 1084066985 VGJWTTXRIPZWTJ-UHFFFAOYSA-N 471.311 4.294 50 10 JIGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)NN=C(C)c1ccc([N+](=O)[O-])cc1 1084648991 YRRYYXWGFNCVFR-UHFFFAOYSA-N 499.984 4.270 50 10 JIGE COc1cc(C=NNC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)ccc1OCc1ccccc1 1565519201 DJFAGIWXWFDQEA-UHFFFAOYSA-N 489.547 4.416 50 10 JIGE Cc1c(C(=O)Nc2ccc(F)cc2F)oc2c1C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772746390 BDYIBQAWXWYWBT-UHFFFAOYSA-N 482.443 4.426 50 10 JIGE CC[C@@H](C)NC(=O)c1oc2c(c1C)C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772747149 LLUPMRMSGGTJSP-MRVPVSSYSA-N 459.362 4.106 50 10 JIGE Cc1sc2ncn(CC(=O)NNC(=O)c3ccc(Cl)c(Cl)c3)c(=O)c2c1-c1ccccc1 1860769694 DRXODQPAHWHFGT-UHFFFAOYSA-N 487.368 4.201 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(F)cc2)[C@H]1c1ccccc1C(=O)O 1865704206 PXXBNXRQFROSIE-INIZCTEOSA-N 458.371 4.006 50 10 JIGE CCOc1cc(/C=N/NC(=O)[C@H](C)NC(=O)OC(C)(C)C)ccc1OCc1ccccc1F 1873794399 HCTDIKYOOAFQMD-HEOQCTJZSA-N 459.518 4.167 50 10 JIGE O=C(O)c1cc(Br)cc(Br)c1NC(=O)[C@H]1C[C@@H](Br)C1 1887769618 QFMBGHOWYXNHTN-OLQVQODUSA-N 455.928 4.022 50 10 JIGE CCOc1cc(C=CC(=O)NNC(=O)c2ccc3c(c2)nc(C)n3CC)ccc1OCC(C)C 2042443129 BIIYFTSRSNKGTN-UHFFFAOYSA-N 464.566 4.273 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1ncc(Br)cc1Cl 2061270244 LWMLCXSPQMGDJB-UHFFFAOYSA-N 470.842 4.133 50 10 JIGE CCn1cc(COc2c(Br)cc(Br)cc2CBr)nn1 2087345916 DVXNHOIAAANONL-UHFFFAOYSA-N 453.960 4.297 50 10 JIGE CCN1CCC[C@@H]([C@H](Cl)c2cc(Br)sc2Br)S1(=O)=O 2089513344 DILSZSJRXNVJRH-WCBMZHEXSA-N 451.633 4.367 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@@H]2CC[C@H](C1)C2Br 2111473189 DUHVTJBAEHSXSF-PHXKMMTBSA-N 498.984 4.299 50 10 JIGE CN(C[C@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1csc(CBr)c1 2123236434 HKJKBXHBMXKJMS-QGZVFWFLSA-N 457.459 4.176 50 10 JIGE CCN(CC)S(=O)(=O)C[C@H](Cl)c1ccc(Br)cc1I 2142284644 FYFFXPBNGZVFLY-NSHDSACASA-N 480.593 4.005 50 10 JIGE O=C(Cc1ccccc1I)NC[C@@H]1CCC[C@@H](CBr)C1 2143867280 AFIMFXWVAJACMJ-CHWSQXEVSA-N 450.158 4.151 50 10 JIGE O=S(=O)([C@H]1C[C@H](OCc2ccccc2)C1)N1CCC[C@]2(CBr)CCCC[C@H]12 2165236729 BBWCZNYSVLWHMN-TUFLPTIASA-N 456.446 4.484 50 10 JIGE CN(Cc1cscc1Br)S(=O)(=O)c1ccc(CCBr)s1 2179822883 BOAMSONKGDXGRH-UHFFFAOYSA-N 459.250 4.330 50 10 JIGE FC(F)([C@@H]1CCOC1)[C@H](Br)c1cc(I)cc2c1OCC2 2185253274 FGRNURHNWHGPCZ-NOZJJQNGSA-N 459.068 4.334 50 10 JIGE C[C@]1(CCOCc2ccccc2)CCN1S(=O)(=O)Cc1ccc(CBr)cc1 2197752410 KGQVCOZQIHFSPC-OAQYLSRUSA-N 452.414 4.483 50 10 JIGE O=S(=O)(N[C@@H]1CC[C@@H]1CBr)c1c(Cl)cc(Br)cc1Cl 2225384067 FSZSMHAXTVHLRJ-LHLIQPBNSA-N 451.995 4.208 50 10 JIGE N#CC(=Cc1c(Oc2ccc(Br)cc2)nc2ccccn2c1=O)C(=O)NC1CCCC1 2296543560 MMCQMQGMVGIVLE-UHFFFAOYSA-N 479.334 4.215 50 10 JIGE C=CCOc1c(I)cc(C=C(C#N)C(=O)Nc2ccc(OC)cc2)cc1OC 2313511058 LMJFKQOSXYLQBG-UHFFFAOYSA-N 490.297 4.419 50 10 JIGE COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1C=C(C#N)S(=O)(=O)c1ccc(C)cc1 2314436819 JRDKEHAGVFOKRF-UHFFFAOYSA-N 487.537 4.451 50 10 JIGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)c2ccc(C(=O)C(=O)c3ccccc3)cc2)c(OC)c1 2314728624 HMMSCYJNWABAGK-UHFFFAOYSA-N 483.476 4.450 50 10 JIGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(-c3ccccc3)cc2)c(OC)c1 2314737497 PJALFTUZXJZMCC-UHFFFAOYSA-N 486.524 4.016 50 10 JIGE O=S(=O)(N[C@@H](CCBr)COCc1ccccc1)c1ccc(Cl)cc1F 2320357258 YGSVFXOUKCAJNS-HNNXBMFYSA-N 450.757 4.128 50 10 JIGE CCOc1ccc(C)cc1[C@@H](C)NC(=O)C(C#N)=CN1CCN(c2cccc(Cl)c2)CC1 2325075957 SNYWOLJCGMLZKD-LJQANCHMSA-N 452.986 4.454 50 10 JIGE COc1ccc([C@H](C)NC=C(C#N)C(=O)Nc2ccc(I)cc2C)cc1 2325406062 REZSUXOWEZLXDY-AWEZNQCLSA-N 461.303 4.305 50 10 JIGE Cc1cc(=O)oc2cc(OCC(=O)NN=Cc3cccc(OCc4ccc(F)cc4)c3)ccc12 2328804010 CKHFNWSQGQNRRO-UHFFFAOYSA-N 460.461 4.349 50 10 JIGE C[C@@]1(CBr)COCCN(Cc2ccc(Cl)cc2I)C1 2341011069 KUHCLLUSZXMKSR-AWEZNQCLSA-N 458.565 4.178 50 10 JIGE CC(C)(C)C[C@H](CCl)CNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364214272 MHYDLGYHYCYTQC-QGZVFWFLSA-N 457.036 4.054 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1CCC(F)(F)[C@H](CBr)C1 2365591848 JINWOMFOEHEJOQ-MRVPVSSYSA-N 478.502 4.437 50 10 JIGE C[C@@H](Br)CCCc1cn(-c2cc(F)c(I)c(F)c2)nn1 2366887027 CEKPSDVTOFGWCB-MRVPVSSYSA-N 456.072 4.256 50 10 JIGE O=C(CCC(=O)NNc1nc2ccccc2c2nc(-c3ccccc3)nn12)NCCC1=CCCCC1 20286967 XPZPDYUZWCNBRY-UHFFFAOYSA-N 483.576 4.175 50 10 JIGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3Cl)ccc2[C@@H]1c1ccc([N+](=O)[O-])cc1 38654720 JHOFAUPMPWHYDX-QHCPKHFHSA-N 477.860 4.451 50 10 JIGE O=S(=O)(CBr)Nc1c(Br)cc(Br)cc1Br 127044479 DNXUIZHTTLWFIC-UHFFFAOYSA-N 486.805 4.068 50 10 JIGE CCCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(N)=O)cc2OC)cc1OC 206501570 HXLJOMALBGQVDE-BOIKWEOWSA-N 464.518 4.284 50 10 JIGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)/C(C#N)=C\c1ccc(OC)cc1 206696822 FDCIIJQZVQYTEA-LZGPLHLBSA-N 497.507 4.423 50 10 JIGE O=C(NC[C@H]1CCC[C@H]1Br)c1cc(Br)ccc1I 232451377 HPUQGNQKYJWFFK-LDYMZIIASA-N 486.973 4.347 50 10 JIGE CCCN(CCBr)C(=O)c1cc(I)ccc1Br 233048653 KVOXEPRMHNFBPU-UHFFFAOYSA-N 474.962 4.301 50 10 JIGE O=C1OC(=O)[C@@H]2[C@@H]1[C@@H](c1ccccc1)C=CN2n1c(-c2ccc(Cl)cc2)nc2ccccc2c1=O 253573741 RTSSVKFLFSTOQB-OIBXWCBGSA-N 483.911 4.034 50 10 JIGE CCOc1cc(C=NNC(=O)c2ccc(OC)c(OC)c2)ccc1OC(=O)c1ccc(OC)cc1 254307618 MIRDSNGTLMQUKU-UHFFFAOYSA-N 478.501 4.094 50 10 JIGE COc1cc(C(=O)Oc2cccc(C=NNC(=O)COc3cccc(C)c3C)c2)cc(OC)c1OC 254494640 XHFWHDSAOANBEL-UHFFFAOYSA-N 492.528 4.078 50 10 JIGE COCCO[C@@H]1[C@@H](Br)C[C@H]1Oc1c(Br)cccc1Br 300480272 NQTZLFIILXIQFH-DMDPSCGWSA-N 458.972 4.158 50 10 JIGE N#CCCn1cc(/C=C(\C#N)C(=O)OCC(=O)N[C@@H]2CCCc3ccccc32)c(-c2ccccc2)n1 761386626 PCLIAMOBLCKPIL-UQTDQPHJSA-N 479.540 4.108 50 10 JIGE N#CCCn1cc(/C=C(\C#N)C(=O)OCC(=O)Nc2c(F)cccc2F)c(-c2ccc(Cl)cc2)n1 782093860 AMVPHVUXPKAAHO-LFIBNONCSA-N 495.873 4.484 50 10 JIGE Cc1cccc(C)c1NC(=O)CNC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1 834451804 DFICJRIKCDQQAI-MOSHPQCFSA-N 486.963 4.396 50 10 JIGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)N(C)Cc2ccc(C(C)C)cc2)cc1 920849369 DXMLOMRCFZSPDB-HZHRSRAPSA-N 485.588 4.123 50 10 JIGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1 1562352245 ZXKJZVRNESACIR-QGZVFWFLSA-N 458.474 4.173 50 10 JIGE C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)N/N=C/c4ccc(F)c(Br)c4)c(=O)c23)C1 1860774105 NAEVGDIDJBOUDG-JOCAPRCESA-N 491.386 4.196 50 10 JIGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CC(=O)N3CCc4c(F)cccc4[C@@H]3C2)n1 1868278189 VOKJTQPOWXYLCX-NRFANRHFSA-N 474.565 4.441 50 10 JIGE COc1cc(C(=O)NCCSSCCNC(=O)OC(C)(C)C)ccc1Br 1876900048 DCRVPMIDGRAHMJ-UHFFFAOYSA-N 465.435 4.094 50 10 JIGE C[C@@H](Br)[C@@H]1CCCN1S(=O)(=O)c1cc(Br)ccc1Br 1879181223 GUZWRFGUDYUWPC-KCJUWKMLSA-N 476.028 4.148 50 10 JIGE O=C(NCCCCCCI)c1cc(I)ccc1F 2050463465 KHFWYQMLZICPQZ-UHFFFAOYSA-N 475.083 4.156 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@H](Br)[C@H](C2CC2)C1 2090685506 PMEGCEDTJCIUDM-RYUDHWBXSA-N 498.984 4.299 50 10 JIGE Brc1ccc(Br)c(CN2CC3(C2)OCCC[C@@H]3Br)c1 2118528583 KLSAWUXUHLFTOF-ZDUSSCGKSA-N 454.000 4.340 50 10 JIGE C[C@H]1CN(Cc2ccccc2)C[C@H](C)N(S(=O)(=O)c2cc(CBr)cs2)C1 2123230665 ULYRUHZMESRJHC-HOTGVXAUSA-N 457.459 4.174 50 10 JIGE O=C(c1ccc(F)cc1I)N1C[C@H]2[C@H](Br)CCC[C@H]2C1 2150958669 OSSITVVCNBJPQK-ZWKOPEQDSA-N 452.105 4.066 50 10 JIGE Cc1cc(CBr)ccc1S(=O)(=O)N1C[C@@H](C)N(Cc2ccccc2)C[C@@H]1C 2179786479 AYQZAPXYZUXEPO-MSOLQXFVSA-N 451.430 4.173 50 10 JIGE Cc1nn(CCCBr)c(C)c1S(=O)(=O)N(Cc1ccccc1)CC(F)(F)F 2179826781 WSYYEABEZRUUEE-UHFFFAOYSA-N 468.339 4.038 50 10 JIGE O=C(c1ccc(F)cc1I)N1CC[C@H](CBr)C12CCC2 2190362709 HQAYYYNAERZDDO-SNVBAGLBSA-N 452.105 4.210 50 10 JIGE BrC[C@]12COC[C@H]1CN(Cc1ccc(Br)cc1Br)C2 2226186059 NUGHRECPSCOQCC-RISCZKNCSA-N 454.000 4.055 50 10 JIGE Cc1ccc(C=C2SC(=S)N(CCCC(=O)NNc3ccc([N+](=O)[O-])cc3)C2=O)cc1 2296882485 WNQHJNRGMACFDH-UHFFFAOYSA-N 456.549 4.028 50 10 JIGE CCCOc1ccc(C=C(C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)cc1 2314736499 LSRVXVXJXBRZBO-UHFFFAOYSA-N 480.546 4.427 50 10 JIGE C[C@@H]1CCC[C@@](CBr)(NC(=O)c2c(Br)c(Br)nn2C)C1 2364017701 MVTOUCRREAMWFT-AMIZOPFISA-N 472.019 4.019 50 10 JIGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)/C=C/c1cccc2ccccc12 13980531 JZUYCDXCTXZZCD-ZPICJPFVSA-N 461.587 4.467 50 10 JIGE O=C(/C=C/c1ccccc1Cl)NC(=S)NNC(=O)c1ccc(OCc2ccccc2)cc1 14028060 BQYYLWILPXRULP-NTCAYCPXSA-N 465.962 4.268 50 10 JIGE Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 14665751 LRWYNKNIWPVGHP-INIZCTEOSA-N 459.974 4.280 50 10 JIGE O=C(CN1CCN(Cc2ccccc2Cl)CC1)NN=Cc1cccc(OCc2ccccc2)c1 19849429 WJJLQRDLIWNLPX-UHFFFAOYSA-N 477.008 4.187 50 10 JIGE CCOc1cc(/C=C2/C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 38608871 BRSOFTLWBZSWOU-OEAKJJBVSA-N 488.540 4.128 50 10 JIGE CCOC(=O)COc1c(Cl)cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc1Br 58889314 TXJBAPBLZBJIGZ-HUTJOEHLSA-N 497.773 4.008 50 10 JIGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccccc3)nnc2-c2ccc(C)cc2)cc1 254496193 UEDPTDHQGNDBQJ-UHFFFAOYSA-N 457.559 4.494 50 10 JIGE C[C@H]1[C@@H](CI)[C@@H](I)C[C@@H](C)N1C(=O)OC(C)(C)C 307742235 UJALOFWTHLDROB-YTWAJWBKSA-N 479.140 4.259 50 10 JIGE CCn1ncnc1COc1c(Br)cc(Br)cc1CBr 311958751 KYPBXCMONHZPDO-UHFFFAOYSA-N 453.960 4.297 50 10 JIGE CN([C@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(CCl)oc1Br 388411797 OTFYXNLNCVVULU-HNNXBMFYSA-N 461.809 4.066 50 10 JIGE CCO[C@@H](COC1(CI)CCN(C(=O)OC(C)(C)C)CC1)C1CC1 703479881 SXSBBYWZTNKUPW-HNNXBMFYSA-N 453.361 4.023 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N(CCBr)CC(F)F 721625099 XXIGESKGRCGHJG-UHFFFAOYSA-N 496.915 4.156 50 10 JIGE CCc1ccc(CN(C)C(=O)/C(C#N)=C/c2cn(CCC(N)=O)nc2-c2ccc(Cl)cc2)cc1 920849554 HSBYDUIQHWTRHA-KGENOOAVSA-N 475.980 4.207 50 10 JIGE COc1cc(C=NNC(=O)COc2ccc3ccccc3c2Br)cc(OC)c1OC 1083888109 HWGRXNMPFRZYDY-UHFFFAOYSA-N 473.323 4.157 50 10 JIGE C=CCn1c(SCC(=O)NC[C@@]2(C)C[C@@H]2Br)nnc1-c1ccc(Cl)cc1 1131376348 ZHPPSDYZJREOLE-KBXCAEBGSA-N 455.809 4.166 50 10 JIGE CC(=O)N1CCN(Cc2ccccc2NC(=O)NN(Cc2ccccc2)c2ccccc2)CC1 1676422725 NQCXHOQHWKORPY-UHFFFAOYSA-N 457.578 4.094 50 10 JIGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)cc2)c1O 1865683996 KTBPMMGJSLSTOV-HNNXBMFYSA-N 462.815 4.477 50 10 JIGE CSCC[C@@H](NC(=O)C[C@@H](c1ccccc1)c1nnc(C)o1)C(=O)Nc1ccc(SC#N)cc1 1867036447 TXDXKCZEBMHSKQ-LEWJYISDSA-N 495.630 4.350 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H]2CC[C@@]2(CCl)C1 1903983270 JOAAVJMOUXPTSH-IINYFYTJSA-N 454.533 4.145 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1CC[C@H](Br)C12CCC2 1914447592 JJJQRCNATPZALR-LBPRGKRZSA-N 454.533 4.477 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C1CC1 1987797505 XBWPMHMOUXFGSH-SJORKVTESA-N 461.694 4.270 50 10 JIGE C[C@@H]1C[C@@H](Br)CN1C(=O)c1ccc(Br)cc1I 2026222541 ZQCFVORKTILSMP-VXNVDRBHSA-N 472.946 4.052 50 10 JIGE O=C(N[C@H]1C[C@@H](CCBr)C1)c1cc(Br)ccc1I 2078345710 FDMWQFVBBUTKII-WAAGHKOSSA-N 486.973 4.347 50 10 JIGE O=C(c1cccc(I)c1)N(CCBr)Cc1ccsc1 2114643897 YYNCVNIOMAUJRN-UHFFFAOYSA-N 450.139 4.390 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CCC([C@@H](F)CCl)CC1 2163240191 IQCITYGUIPKDNC-LBPRGKRZSA-N 474.539 4.483 50 10 JIGE Cc1sc(Br)cc1S(=O)(=O)N(C)C1(CBr)CCSCC1 2171172183 AZBITOGJEVNTFB-UHFFFAOYSA-N 463.282 4.100 50 10 JIGE O=S(=O)(c1ccsc1CBr)N1CC[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 2179869859 DEFKDKCFUAOLTN-ROUUACIJSA-N 469.470 4.176 50 10 JIGE Cc1cccc(C(=O)N2[C@H]3CC[C@H]2[C@@H](F)[C@@H](Br)C3)c1I 2190680010 TVWBERLEENNVIO-BQUFFADESA-N 452.105 4.078 50 10 JIGE C[C@H](NC(=O)c1cccc(Br)c1Br)c1nnc(CBr)s1 2192604096 VRIQCZQLJFNGSI-LURJTMIESA-N 484.011 4.449 50 10 JIGE C[C@H]1CCC[C@@H](COC2(CI)CCN(C(=O)OC(C)(C)C)CC2)O1 2301041009 FAGYRWUSUFKSBR-GJZGRUSLSA-N 453.361 4.165 50 10 JIGE O=S(=O)(N[C@@H](CCBr)COCc1ccccc1)c1ccccc1Br 2303540781 UQRFMPGACRSNIS-HNNXBMFYSA-N 477.218 4.098 50 10 JIGE CN(CC(F)(F)CBr)C(=O)c1ccc(Cl)cc1I 2317775193 NOFJAGFUTCPWGR-UHFFFAOYSA-N 452.464 4.047 50 10 JIGE O=C(c1csc(I)c1)N1CC[C@H](Br)C[C@H]1C(F)(F)F 2336323247 AXODKNZJMHVPBH-YUMQZZPRSA-N 468.076 4.283 50 10 JIGE FC(F)(CI)C(F)(F)CNCc1ncc(Br)cc1Cl 2336541426 MVYXJRFOCWFDLF-UHFFFAOYSA-N 475.449 4.293 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N[C@H]1C[C@@H](CBr)[C@@H]2C[C@H]12 2360166447 NKVIBSJFVSTMHP-HBEIAFGSSA-N 466.011 4.290 50 10 JIGE O=C(c1ccccc1I)N1CC[C@@H](Br)C[C@@H]1C(F)(F)F 2361452279 JOHPLSIQCLCEAS-LDYMZIIASA-N 462.047 4.222 50 10 JIGE COc1ccc(CNC(=O)COC(=O)/C(C#N)=C/c2cc(C)n(-c3ccccc3F)c2C)cc1 9094227 RCHAXUFHTYIOTH-FYJGNVAPSA-N 461.493 4.008 50 10 JIGE COC(=O)c1ccc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 10454840 CUHDSSXULSMUAI-UHFFFAOYSA-N 473.529 4.098 50 10 JIGE CC[C@H](Oc1ccc(C)cc1)C(=O)NNC(=O)COc1ccc2ccccc2c1Br 14013806 NNXUNGULGQXQHC-IBGZPJMESA-N 471.351 4.295 50 10 JIGE O=C(NNC(=O)c1ccc(OCCc2ccccc2)c(Br)c1)c1ccc([N+](=O)[O-])cc1 14669701 XQPMMWZSHCGDHE-UHFFFAOYSA-N 484.306 4.054 50 10 JIGE C=CCOc1ccc(C(=O)NNC(=O)COc2ccc([C@H](C)CC)cc2Br)cc1 14832334 OEZIJBPCJMXUND-OAHLLOKOSA-N 461.356 4.367 50 10 JIGE N#CC1=C(N)OC2=C([C@@H]1c1ccccc1)S(=O)(=O)N(Cc1ccc(F)cc1)c1ccccc12 20558436 REOXTPDNNIMDFE-JOCHJYFZSA-N 459.502 4.352 50 10 JIGE O=C(NNc1ncnc(Oc2ccc(Br)c3cccnc23)c1[N+](=O)[O-])c1ccccc1F 40658210 VFTJMGOINOUCFS-UHFFFAOYSA-N 499.256 4.384 50 10 JIGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1 40869999 CYTVEONDWABCLW-LYOTWYLBSA-N 483.480 4.446 50 10 JIGE O=C(N/N=C1\C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc21)c1ccc(Br)cc1 59159630 VKPQOKULWAENCD-GFMRDNFCSA-N 479.290 4.038 50 10 JIGE COC(=O)[C@@H](Br)COc1c(Br)cc(Br)cc1Br 160400467 RNIOTGIDLXJQQQ-QMMMGPOBSA-N 495.787 4.289 50 10 JIGE COc1ccc(/C=N/NC(=O)c2ccc3[nH]c(-c4ccccc4O)nc3c2)c(Cl)c1OC 169926513 FHEIKWABRZONQK-BRJLIKDPSA-N 450.882 4.370 50 10 JIGE CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C/c2ccc(OCc3ccc(C)cc3)cc2)C1=O 214430747 CZIQREMYYMSUEZ-IWIPYMOSSA-N 458.514 4.120 50 10 JIGE C[C@H]1C[C@H](CBr)CN(S(=O)(=O)c2cc(Cl)c(Br)s2)C1 398835641 GYTQPVHHOKJZFX-JGVFFNPUSA-N 451.633 4.206 50 10 JIGE O=[N+]([O-])c1ccc([C@@H]2CN(Cc3ccccc3)C[C@@H]2CI)cc1[N+](=O)[O-] 725388910 GDVKEBSJVLTNHL-HOTGVXAUSA-N 467.263 4.154 50 10 JIGE CCCC(=O)NC[C@H]1CCCN(C(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(F)cc3)c2C)C1 726170782 BEWCBECPMJTYDD-YRXLECQKSA-N 450.558 4.295 50 10 JIGE O=C(COc1ccc(C=NNC(=O)C(c2ccccc2)c2ccccc2)cc1)NCc1ccco1 1084407611 RNSNEZFWWIIGGL-UHFFFAOYSA-N 467.525 4.257 50 10 JIGE C=CCCOCC(=O)NNc1c(Br)cc(Br)cc1Br 1354277599 ZIMIIEHTQMJVNP-UHFFFAOYSA-N 456.960 4.010 50 10 JIGE CC(=O)[C@@H]1CC(C(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)=NN1c1ccccc1 1569580834 ZDONWKGRKKNKLK-KRWDZBQOSA-N 458.362 4.391 50 10 JIGE C/C(=C/c1ccc(Br)o1)C(=O)NNC(=O)[C@@H](C)Oc1c(C)cc(Cl)cc1C 1628196398 ICWXTCXAMDZTHR-KIWPFMIBSA-N 455.736 4.331 50 10 JIGE C=CC(=O)N1CCC(C(=O)NNc2ccc(OCc3ccccc3)cc2)(c2ccccc2)CC1 1641051613 XEPGHTYMVOQRLS-UHFFFAOYSA-N 455.558 4.455 50 10 JIGE CC(=O)N(c1ccc(NC(=O)NNC(=O)c2cc(C)n(-c3ccccc3)c2C)cc1)[C@@H]1C[C@H]1C 1670263810 MRVYCHLQVDPESS-VOIUYBSRSA-N 459.550 4.322 50 10 JIGE Cc1c(C(=O)NNC(=O)c2cccc(Cl)c2)oc2c1C(=NNC(=O)c1cccc(Cl)c1)CCC2 1772746277 UEFISVNTERKOLR-UHFFFAOYSA-N 499.354 4.440 50 10 JIGE N#Cc1c(NC(=O)COc2cccnc2NC(=O)Oc2ccc([N+](=O)[O-])cc2F)sc2c1CCC2 1858686139 LTBMCOMQCQKNFA-UHFFFAOYSA-N 497.464 4.179 50 10 JIGE N#C/C(=C\c1ccc(Br)cc1)C(=O)Nc1c(Br)cccc1C(=O)O 1866128877 QOISCPKXSKKHJD-DHZHZOJOSA-N 450.086 4.455 50 10 JIGE CCCOc1ccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1OC 1873795315 XEXJCVKJJCTZOV-UBYGEMSKSA-N 455.555 4.070 50 10 JIGE O=S(=O)(NCC[C@@H]1CCC[C@H]1Br)c1cc(Br)ccc1Br 1913791109 CLSDGTZXCDIYGE-GXSJLCMTSA-N 490.055 4.444 50 10 JIGE CC(C)N(C[C@H](C)Br)c1ncc(I)cc1Br 1988532043 AQQMZXVYNIZVEM-QMMMGPOBSA-N 461.967 4.447 50 10 JIGE CCCN(CCCBr)c1ncc(I)cc1Br 1988536516 OEEOMICRMFNMMU-UHFFFAOYSA-N 461.967 4.450 50 10 JIGE O=C(N[C@@H]1CC[C@@H](CBr)C1)c1cc(I)ccc1Br 2029536381 QLBFIFKGEGTNLM-PSASIEDQSA-N 486.973 4.347 50 10 JIGE CN(C(=O)c1ccc(Br)cc1I)[C@@H]1CCC[C@@H]1Br 2086138708 FEGJYBXKRKYIOT-CMPLNLGQSA-N 486.973 4.442 50 10 JIGE CN(Cc1c(Br)cnn1C)c1ccc(Br)cc1CBr 2100251034 QBZPPNCCZYPBAM-UHFFFAOYSA-N 451.988 4.476 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@@H]2[C@H](CCl)C[C@H]2C1 2117681153 KYQHCJXYGZZXQR-HOTUBEGUSA-N 454.533 4.001 50 10 JIGE Cc1cc(Br)ccc1S(=O)(=O)NCCCCCCI 2141768407 MPUPURKGFZNPHA-UHFFFAOYSA-N 460.175 4.031 50 10 JIGE Cc1cccc(C(=O)N2CCC(C)(C)[C@@H](CBr)C2)c1I 2148648799 CHMCFAPPXGTBPX-LBPRGKRZSA-N 450.158 4.483 50 10 JIGE Cc1c(F)cc(CBr)cc1S(=O)(=O)N(C)C1CC(OCc2ccccc2)C1 2179859186 ZKJDNFPHTQEIGF-UHFFFAOYSA-N 456.377 4.397 50 10 JIGE Cc1ccc(I)c(C(=O)N2CC[C@@H](CCBr)[C@@H](C)C2)c1 2240921909 LUSNVSXAHOTPTK-QWHCGFSZSA-N 450.158 4.483 50 10 JIGE Cc1ncc2nc(CCl)n(-c3cc(I)ccc3Br)c2n1 2286623580 XQZDYFWNFLRCMZ-UHFFFAOYSA-N 463.504 4.230 50 10 JIGE COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(Br)cc2)cc1 2297296477 ZLOSMIIYXNLPJW-UHFFFAOYSA-N 478.346 4.379 50 10 JIGE Brc1cc(CN2C[C@@H](Br)C3(CC3)C2)ccc1I 2306223559 GZLJHUXLUIGUSK-GFCCVEGCSA-N 470.974 4.413 50 10 JIGE CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccc(OC(=O)c2ccc(F)cc2)cc1 2328824652 HRVINYNGJCEOLM-NRFANRHFSA-N 471.529 4.434 50 10 JIGE COC[C@]1(CBr)C=CCN1C(=O)c1scc(Br)c1Br 2351732446 SZRIDDNDAGWSBA-GFCCVEGCSA-N 474.012 4.065 50 10 JIGE O=C(Cc1ccccc1)NN=Cc1cc(Br)ccc1OC(=O)/C=C/c1ccco1 9846790 WWYLOMSANAEAHC-XQEFGFRCSA-N 453.292 4.354 50 10 JIGE O=C(NNC(=S)NC(=O)C(c1ccccc1)c1ccccc1)c1cc2ccccc2cc1O 12502678 KBFUFDFCRMKABX-UHFFFAOYSA-N 455.539 4.013 50 10 JIGE COc1cc(/C=C(/C#N)c2ccccc2OC)ccc1OC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O 31901990 AZHKLAWIWLZQHS-FJSNCCPHSA-N 482.492 4.358 50 10 JIGE CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2)ccc1OC(=O)c1ccc(OC)c(OC)c1 33959202 BXFAMJHCFKAKJL-JVWAILMASA-N 462.502 4.394 50 10 JIGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@H]3COc4ccccc4O3)ccc21 38700634 BJSZRXKRECOQGO-CLJLJLNGSA-N 484.508 4.439 50 10 JIGE O=C(NNc1ncnc(Nc2ccccc2Br)c1[N+](=O)[O-])c1ccc(Cl)cc1 40648266 NUUZGUSAAZDIET-UHFFFAOYSA-N 463.679 4.301 50 10 JIGE COc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccoc2C)CCC3)c(OC)c1 40823483 SEQUMYJWZHAAFC-NLRVBDNBSA-N 451.479 4.229 50 10 JIGE C=CCn1c(CCc2ccccc2)nnc1SCC(=O)N/N=C/c1ccc(N(CC)CC)cc1 58988684 BZDLOGKICBUCES-ZXVVBBHZSA-N 476.650 4.338 50 10 JIGE CC[C@H](Br)CCNC(=O)c1cc(Br)ccc1I 233976781 RSMKZHFUNMCWAH-QMMMGPOBSA-N 474.962 4.347 50 10 JIGE FC(F)c1nc(CBr)cc(I)c1I 238578884 NLDVDHHOZMCGKQ-UHFFFAOYSA-N 473.824 4.123 50 10 JIGE CCOc1ccc(C(C)=NNC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1 254871554 YMDRDNVSDFGZOX-UHFFFAOYSA-N 451.548 4.064 50 10 JIGE COc1ccc(OCC(=O)NN=Cc2ccc(N(CC(C)C)CC(C)C)c([N+](=O)[O-])c2)cc1 254874126 DWDVYOYYUALXHW-UHFFFAOYSA-N 456.543 4.251 50 10 JIGE O=S(=O)(c1cc(CCl)sc1Br)N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 380758989 XFCLWRTVMGGANL-JKSUJKDBSA-N 489.888 4.392 50 10 JIGE FC(F)(F)Oc1c(Br)cnc(I)c1CBr 396163105 TVLRSBLFFGCKOP-UHFFFAOYSA-N 460.813 4.242 50 10 JIGE CC[C@H](Br)CCNC(=O)c1ccc(I)c(Br)c1 721593854 MKLJIANWHHUEDE-VIFPVBQESA-N 474.962 4.347 50 10 JIGE CC(=O)Nc1cccc(OCCNC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(F)cc3)c2C)c1 729382985 HCJKEKMSVODMDP-STZFKDTASA-N 460.509 4.294 50 10 JIGE COc1ccc(NC(=O)COC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(F)cc3)c2C)cc1OC 786605541 HZTOWLOKZVQOHA-UNOMPAQXSA-N 477.492 4.339 50 10 JIGE C=CCc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(OC)c1OCC(=O)O 1083943391 XROKRXAUPNIGRP-UHFFFAOYSA-N 487.306 4.160 50 10 JIGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@@H](c2cccnc2)C(C#N)=C(N)O3)cc1 1865700609 YYAPSKPVKUHDJH-QFIPXVFZSA-N 451.486 4.170 50 10 JIGE N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2)cc1)c1cc2c(cc1[N+](=O)[O-])OCCO2 1872728511 GORIOTZUYDNLNE-LDADJPATSA-N 457.442 4.448 50 10 JIGE N#C/C(=C(/O)CCc1nc2ccccc2[nH]c1=O)c1nc(-c2ccc3c(c2)OCCO3)cs1 1872750577 HJKJAPDEQCSJEX-HKWRFOASSA-N 458.499 4.243 50 10 JIGE O=C(c1csc(Br)c1Br)N(CCBr)CC(F)F 1945184219 XOOPPGMWJNOUBX-UHFFFAOYSA-N 455.944 4.375 50 10 JIGE O=C(N[C@H]1CC[C@H](CBr)C1)c1ccc(Br)cc1I 2086139253 MILKDZHQHYMZRV-WPRPVWTQSA-N 486.973 4.347 50 10 JIGE O=C(c1cc(Br)ccc1Br)N1C[C@H](Br)[C@H](C2CC2)C1 2090684950 MBZPXDHIZMEKLC-AAEUAGOBSA-N 451.984 4.457 50 10 JIGE CC[C@@H]1CN(C(=O)N2CCC(Br)CC2)[C@H](CC)CN1C(=O)OCc1ccccc1 2106657445 FBCKBFNSGIZAHE-WOJBJXKFSA-N 466.420 4.477 50 10 JIGE O=C(N[C@@H]1C[C@H](CCl)[C@@H]2C[C@H]12)c1cc(Br)ccc1I 2110550866 VDBRKQMWGDNDLX-ZRPKBAQZSA-N 454.533 4.047 50 10 JIGE Cn1cc([C@@H](Cl)c2cc(I)cc3c2OCC3)c(Br)n1 2116553915 GNYXSQIYQNUFKJ-NSHDSACASA-N 453.505 4.050 50 10 JIGE O=S(=O)(c1cc(CCl)sc1Br)N1CCN(Cc2ccccc2)CC(F)(F)C1 2149544645 JTDSAKUDZHFYLP-UHFFFAOYSA-N 499.830 4.391 50 10 JIGE CC(C)(C)OC(=O)NC[C@@H]1CC[S@](=O)(=NC(=O)[C@H](Br)C2CCCC2)C1(C)C 2167033471 RKHKKPYBNJHPGG-SPPRZUHCSA-N 465.454 4.258 50 10 JIGE CN(C(=O)c1cc(I)ccc1O)[C@@H]1CCCCC[C@H]1Br 2172548173 RYXJENMWMATOQR-CHWSQXEVSA-N 452.130 4.165 50 10 JIGE C[C@H]1[C@@H](C)N(Cc2ccccc2)[C@H](C)CN1S(=O)(=O)c1cccc(CBr)c1 2179817851 ZWDCRLBHIFNISQ-KURKYZTESA-N 451.430 4.254 50 10 JIGE CN([C@@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]21)S(=O)(=O)CCC(F)(F)CBr 2190547566 NFOOVCKMYNKBNI-BSDSXHPESA-N 466.388 4.052 50 10 JIGE CC(C)(C)OC(=O)N[C@@H](C[S@@](C)(=O)=NCCCCI)C(C)(C)C 2243585686 FICMUMJBWUAQEH-ZAMGYDSWSA-N 460.422 4.239 50 10 JIGE COC(=O)c1ccc(-c2ccc(C=C(C#N)C(=O)N3CCN(c4ccccc4)CC3)o2)c(C)c1 2313566777 AAAMRWPKDMXISC-UHFFFAOYSA-N 455.514 4.297 50 10 JIGE CCOc1c(OC)cc(C=NNC(=O)c2ccc3[nH]c4c(c3c2)C[C@@H](C)CC4)cc1[N+](=O)[O-] 2323166763 VQAPSBKPHMPGER-AWEZNQCLSA-N 450.495 4.372 50 10 JIGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)Cc1cccc2ccccc12 13976974 JDJMSCBRVZVWRI-CYBMUJFWSA-N 476.385 4.179 50 10 JIGE CCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccccc1-c1ccccc1 14654836 RAWCMMDUQAGSLV-UHFFFAOYSA-N 469.335 4.355 50 10 JIGE COc1ccc(Br)cc1/C=N/NC(=O)CCC(=O)Nc1ccc(Cl)cc1C 20352515 VPPZACZNOOAIEJ-SSDVNMTOSA-N 452.736 4.289 50 10 JIGE COc1cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccs2)cc(OC)c1OC 38656353 OPQFGMWZEISIHA-OAQYLSRUSA-N 464.499 4.211 50 10 JIGE CCCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2cccc(C)c2)cc1 100154408 ULAOBXLUGFREOU-UHFFFAOYSA-N 457.596 4.059 50 10 JIGE COc1cc(/C=C2/C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 101337403 DGXBXDNFLJXXMP-XZEIMLRBSA-N 476.504 4.185 50 10 JIGE CCn1c(SCC(=O)NN=C/C=C/c2ccccc2[N+](=O)[O-])nnc1-c1ccc(C)cc1 254496601 DEOHZSOTYANGBG-IEXUTCFFSA-N 450.524 4.089 50 10 JIGE CCOc1ccc2ccccc2c1C=NNC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3 254559464 DQIDBXAEYODEGC-UHFFFAOYSA-N 460.559 4.039 50 10 JIGE Nc1ccc(I)cc1[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CCl 382731163 UOJVUTPWULSXRN-WMLDXEAASA-N 470.738 4.464 50 10 JIGE Cc1cc(/C=C(/C#N)C(=O)OCC(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)c(C)n1-c1ccccc1F 728086998 PLRUTDHBZQZQTP-BCUAHEQISA-N 487.487 4.286 50 10 JIGE Cc1cc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)c(C)n1C[C@@H]1CCCO1 852997399 CBYXDJVIXHMKSA-QEOMAYMFSA-N 492.601 4.183 50 10 JIGE CCOc1ccc(C(C)=NNC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc1 1083912994 SHVFBVGHXDATQD-UHFFFAOYSA-N 483.565 4.269 50 10 JIGE CCOc1cc(/C=C(\C#N)C(=O)N(C)C)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 1084579762 QUXWHIBRXFFIES-CXUHLZMHSA-N 474.311 4.330 50 10 JIGE C=CC[C@@]1(C(=O)NNC(=O)c2ccc(OCCC(C)C)cc2)CCCN1C(=O)OC(C)(C)C 1540386545 VNADIPHGCQIBOA-VWLOTQADSA-N 459.587 4.218 50 10 JIGE C/C(=C\c1ccc(Cl)cc1)C(=O)NNc1nc2ccccc2c(=O)n1CCCOC(C)C 1617519234 KAMHWISYCCVNSU-BMRADRMJSA-N 454.958 4.412 50 10 JIGE COc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccncc1)CCC2 1772745766 KIAUXBDCYJYACD-UHFFFAOYSA-N 452.898 4.368 50 10 JIGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@@H](c2ccncc2)C(C#N)=C(N)O3)cc1 1865702577 XCKSLWPJKRKURY-QFIPXVFZSA-N 451.486 4.170 50 10 JIGE C[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1 1873794655 SZOLCLSMSUBYQH-MMTYYTLLSA-N 476.371 4.391 50 10 JIGE O=C(N[C@H]1C[C@@H]([C@@H](F)CBr)C1)c1cc(Br)ccc1Br 1906432974 BBEUARPJZJTUIY-VMAXQDLPSA-N 457.963 4.453 50 10 JIGE CC[C@@H]1CCOC[C@@H]1OC1(CI)CCN(C(=O)OC(C)(C)C)CC1 1947170123 UFNYOEQYQSPSQT-CABCVRRESA-N 453.361 4.023 50 10 JIGE CCN(CC)CCCO[C@](C)(CI)CN(CC)C(=O)OC(C)(C)C 2007038210 ZUDMWKKHHCFNHO-GOSISDBHSA-N 456.409 4.186 50 10 JIGE O=C(N[C@H]1CC[C@H](Br)C1)c1cc(I)ccc1Br 2008594128 LXUWMNTZOCZFGT-CBAPKCEASA-N 472.946 4.100 50 10 JIGE CCOC(=O)c1cc(OC(F)(F)F)c(I)cc1CBr 2055276194 SCWSAJHZWKYJGD-UHFFFAOYSA-N 452.992 4.261 50 10 JIGE C[C@@H](Br)CN1CCN(Cc2c(Br)cccc2Br)CC1 2113862676 ZBZHKHQYXLTAQV-LLVKDONJSA-N 455.032 4.113 50 10 JIGE ClCc1cc(Br)cnc1N1CCOCC12CCN(Cc1ccccc1)CC2 2163143765 NPTHWWGHAAVBQS-UHFFFAOYSA-N 450.808 4.454 50 10 JIGE O=C(c1cc(I)ccc1F)N1C[C@@H]2CC[C@H](Br)C[C@H]2C1 2169668273 ODXUKLHYKFUEMY-DCAQKATOSA-N 452.105 4.066 50 10 JIGE CCN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(CBr)c(C)c1 2179788826 HYXUNEVYBCCOGS-HXUWFJFHSA-N 451.430 4.175 50 10 JIGE O=S(=O)(c1csc(CBr)c1)N1CC[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 2179825159 DKTIYOCYAZWKDW-MSOLQXFVSA-N 469.470 4.176 50 10 JIGE CN(C[C@@H]1C[C@@H]1Br)C(=O)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229117486 ZZPLLDTYAOMQEG-BPUTZDHNSA-N 490.236 4.127 50 10 JIGE CCOc1ccc(C=CC(=O)NC(=S)NNC(=O)c2ccccc2OCc2ccccc2)cc1 2313892303 SFDZYSAKHNYWQO-UHFFFAOYSA-N 475.570 4.013 50 10 JIGE O=S(=O)(N[C@@H]1C[C@@H]2C[C@H]1C[C@H]2Br)c1cc(Br)ccc1Br 2355712598 GPVPYQCBDULWQJ-LDDIKCJXSA-N 488.039 4.052 50 10 JIGE CC(C)(C)OC(=O)NCC[S@](=O)(=NC[C@@]1(CBr)CC1(F)F)c1ccccc1 2379985778 VKXYBFMEGHFNID-CBZJRKILSA-N 467.376 4.459 50 10 JIGE O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)CCC(=O)Nc1ccccc1Cl 12580781 RYXXLXJIMVAVCF-UHFFFAOYSA-N 472.756 4.372 50 10 JIGE CCOC(=O)COc1ccc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1Br 33345581 IIXJGPAJLSMLFI-GZQZNAIASA-N 457.324 4.175 50 10 JIGE CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)C1=O 38608884 QVLKISJXZSMUOJ-PCLIKHOPSA-N 494.551 4.393 50 10 JIGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc32)c1OC 38659042 OPLDEDJOLVPZRN-QFIPXVFZSA-N 473.441 4.049 50 10 JIGE O=C(NNc1ncnc(NN(c2ccccc2)c2ccccc2)c1[N+](=O)[O-])c1ccc(F)cc1 40646408 VFELOQKXOYXCFI-UHFFFAOYSA-N 459.441 4.446 50 10 JIGE CCOC(=O)/C(C#N)=C/c1cccc(OC(=O)COc2ccc(CC)cc2Br)c1 40944721 QFHAMGRWXQNJOK-LICLKQGHSA-N 458.308 4.466 50 10 JIGE COc1ccc(CCNC(=O)/C(C#N)=C\c2ccc(COc3ccc([N+](=O)[O-])cc3)o2)cc1OC 98063494 ZBUZFKSLQXMJHD-JXAWBTAJSA-N 477.473 4.050 50 10 JIGE C=CCOc1ccccc1/C=N/NC(=O)COc1ccc(Br)cc1Br 100437319 SWHWVWDYNUPVMY-SRZZPIQSSA-N 468.145 4.306 50 10 JIGE Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)COc1ccc(Cl)c2cccnc12 107829428 CPRRXPHNHCIJSY-UHFFFAOYSA-N 452.923 4.160 50 10 JIGE COc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2)cc1OC 206678598 DSNDONDKDCITGX-ITZXJQBVSA-N 458.470 4.139 50 10 JIGE CC(C)(C)OC(=O)N1CCC(N/C=C(/C#N)C(=O)NC(c2ccccc2)c2ccccc2)CC1 216980858 KJOVLLHHKOQQAB-QOCHGBHMSA-N 460.578 4.289 50 10 JIGE CCOc1ccc(C=NNC(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)cc2)cc1 254843730 LLAKKZRTXXAFID-UHFFFAOYSA-N 457.939 4.303 50 10 JIGE CN([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(CCl)ccc1Br 311847207 RYNHYUFXQCBXBW-KRWDZBQOSA-N 457.821 4.083 50 10 JIGE BrC1=C[C@]2(Br)[C@@H](Br)[C@H]3[C@@H]4C[C@@H]([C@H]1[C@@H]42)[C@H]3Br 384371688 KRSZSGUJZBJBNK-GPYBDRMZSA-N 461.817 4.451 50 10 JIGE CC1(C)[C@@H](Br)CCN1C(=O)c1cc(I)ccc1Br 386838548 REXBSJJSYHQAPW-NSHDSACASA-N 486.973 4.442 50 10 JIGE C[C@@H]1CN(S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)C[C@@H]1Br 387519750 ACBBQXQFOLALAH-SVRRBLITSA-N 451.995 4.160 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CC[C@@H](CCBr)C1 721606682 ALSHVRFBKADXKR-SECBINFHSA-N 486.973 4.301 50 10 JIGE CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)NNC(=O)COc1ccccc1-c1ccccc1)O[C@@H](C)C2 730468780 GACHUSUQRWOGEF-JKFKMHIGSA-N 486.568 4.406 50 10 JIGE COc1cccc(C(=O)NN=C2C(=O)N(CCc3ccccc3)c3ccc(Br)cc32)c1 1084255137 RYMTZADPLNACII-UHFFFAOYSA-N 478.346 4.181 50 10 JIGE COc1ccccc1/C(C#N)=C/c1ccc(OC(=O)CCN2C(=O)c3ccccc3C2=O)cc1 1615099341 HNFGOXPJRBUTSW-KNTRCKAVSA-N 452.466 4.351 50 10 JIGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccccc2Oc2cccc(F)c2)cc1 1622942915 KHUHOOWLGSLJKE-MRXNPFEDSA-N 451.454 4.441 50 10 JIGE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1636385281 LYGKOFJQFHLXEY-CQSZACIVSA-N 453.383 4.474 50 10 JIGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc3c(c1)OCCO3)C(C#N)=C(N)O2 1865698600 YIHARQGGIRBPQJ-NRFANRHFSA-N 466.900 4.276 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@@H](Br)CC2(CC2)C1 1926028874 DEBQGMBACNBPMX-JTQLQIEISA-N 498.984 4.443 50 10 JIGE CC(C)(C)OC(=O)NC1(CC(=O)NCC2CC(Br)C2)CCN(Cc2ccccc2)CC1 2020182204 DZKNGQKSHCLNKX-UHFFFAOYSA-N 494.474 4.226 50 10 JIGE C[C@H](Br)[C@H]1CCN1C(=O)c1ccc(Br)cc1I 2026216531 GCFDJWOHDLHFLK-WRWORJQWSA-N 472.946 4.052 50 10 JIGE CN([C@@H]1CC[C@@H]1OCc1ccccc1)S(=O)(=O)c1cc(CBr)oc1Br 2059267715 RDGBXYVXJWMLQG-CABCVRRESA-N 493.217 4.305 50 10 JIGE C[C@H]1CN(C(=O)c2cc(Br)ccc2I)CC[C@H]1CCl 2109038077 DZGLPDPMYRWWEV-UWVGGRQHSA-N 456.549 4.391 50 10 JIGE Clc1ccc(I)c(CN2CCC[C@H](OCCBr)C2)c1 2113866492 JEXOHVZTFVDMCH-ZDUSSCGKSA-N 458.565 4.321 50 10 JIGE CC[C@H](C)[C@@H](CI)NS(=O)(=O)c1c(Cl)cccc1Br 2136492510 OICOCIJLIBIMKV-GZMMTYOYSA-N 480.593 4.231 50 10 JIGE CN(C(=O)c1ccc(I)c(O)c1)[C@@H]1CCCCC[C@H]1Br 2172549094 YGTSOAGFTINREV-DGCLKSJQSA-N 452.130 4.165 50 10 JIGE O=C(c1ccc(F)cc1I)N1C[C@H](Br)C2(CCCC2)C1 2174364045 KNUXRZLITVCNGB-ZDUSSCGKSA-N 452.105 4.210 50 10 JIGE O=C(c1ccccc1I)N1C[C@]2(F)CCC[C@@]2(CBr)C1 2176630075 KGRBKERWCSLWSN-HUUCEWRRSA-N 452.105 4.021 50 10 JIGE C[C@@H]1CCN(S(=O)(=O)c2cc(F)ccc2CBr)CCN1Cc1ccccc1 2179788651 FVZKFVKDNFFULW-MRXNPFEDSA-N 455.393 4.006 50 10 JIGE Cc1c(F)cc(CBr)cc1S(=O)(=O)N(Cc1ccccc1)C[C@H]1CCCO1 2179863643 POXXVRUNOVVDTI-GOSISDBHSA-N 456.377 4.399 50 10 JIGE CC1(C)CCCN(C(=O)c2ccc(F)cc2I)[C@H]1CBr 2185809175 XZRBIVXJKLTDJL-ZDUSSCGKSA-N 454.121 4.456 50 10 JIGE CN(CC1CC(Br)C1)c1nc([C@@H](CCC(=O)O)NC(=O)OC(C)(C)C)cs1 2198786312 BGWFPRWWGWTBIX-WXRRBKDZSA-N 462.410 4.183 50 10 JIGE O=S(=O)(NC1CC([C@@H](F)CBr)C1)c1cc(Br)ccc1Br 2199055844 FBZNTJFZUNGGSW-FBUXNDKQSA-N 494.018 4.002 50 10 JIGE Cc1ccc(C(=O)N(C)[C@@H](CCBr)C(F)(F)F)cc1I 2232836340 GEJOGLHBWLENER-NSHDSACASA-N 464.063 4.388 50 10 JIGE Cc1csc(CBr)c1S(=O)(=O)N1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 2234725267 ICEPXDSYOQLSQA-HDICACEKSA-N 469.470 4.379 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@@](CBr)(O[C@@H]2CCN(Cc3ccccc3)C2)C1 2242051815 YZXUAJLBYMQLJW-KNQAVFIVSA-N 453.421 4.442 50 10 JIGE COc1ccc([C@H](Br)c2nn(C)cc2Br)cc1I 2257368775 JNZBFACLOPKCBJ-NSHDSACASA-N 485.945 4.280 50 10 JIGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2Cl)C(=O)NN=Cc2ccccc2O)cc1 2297321202 ZUGCPUKZDCRAGY-UHFFFAOYSA-N 462.937 4.033 50 10 JIGE O=C(N[C@H]1C[C@@H](CBr)[C@@H]2C[C@H]12)c1cc(Br)ccc1Br 2329870100 LOKCHAMTCPROQZ-PYSAPBNWSA-N 451.984 4.361 50 10 JIGE N#CC(=C(O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1nc(-c2ccccc2)cs1 2331304907 SHUBPTADDMNXDU-UHFFFAOYSA-N 487.990 4.434 50 10 JIGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1C[C@@H]2C[C@H]1[C@@H]2CBr 2358060628 WAFKYEFLYOVIQL-QXHCQDJKSA-N 464.006 4.160 50 10 JIGE O=C(Cc1cccc2ccccc12)NNC(=S)NC(=O)c1cccc(OCCOc2ccccc2)c1 14041112 XVYWRUZZTFQZLO-UHFFFAOYSA-N 499.592 4.176 50 10 JIGE O=C(NNC(=S)NC(=O)c1cc(Br)ccc1OCCc1ccccc1)c1ccccc1 14666185 KUORARPVBPIKOP-UHFFFAOYSA-N 498.402 4.020 50 10 JIGE CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)N3CCN(c4ccccc4)CC3)o2)cc1 21315712 PFYVXNALYZKHAM-RELWKKBWSA-N 455.514 4.379 50 10 JIGE Nc1c(NNC(=O)c2ccc(Br)cc2)ncnc1Nc1ccc(F)c(Cl)c1 40784531 VXGKKNZSGTVVAE-UHFFFAOYSA-N 451.687 4.114 50 10 JIGE COc1cccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)CCC3)c1 40814562 MBIZWXZQTVLFBB-NHFJDJAPSA-N 476.489 4.156 50 10 JIGE CC1(C)CC(N/C=C(/C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)CC(C)(C)N1 216497276 COGIFFOSIZDTAS-LVWGJNHUSA-N 485.676 4.226 50 10 JIGE N#C/C(=C/Nc1cc(Cl)ccn1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216511026 NPVLCWJSCABOGT-QOCHGBHMSA-N 457.965 4.488 50 10 JIGE CCOC(=O)N1CCC(N/C=C(/C#N)C(=O)Nc2ccccc2Sc2ccccc2)CC1 217243880 HYUIECAIFOTGLT-ZCXUNETKSA-N 450.564 4.394 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CCC(CBr)CC1 232478182 VCZGBWVPNFKKFG-UHFFFAOYSA-N 486.973 4.301 50 10 JIGE CC(C)[C@@H](CI)NC(=O)c1cc(Br)sc1Br 232693676 NPLWPAHBQDMBRI-SSDOTTSWSA-N 480.991 4.463 50 10 JIGE COc1cc(C(=O)Oc2cccc(C=NNC(=O)COc3c(C)cccc3C)c2)cc(OC)c1OC 254402652 ICTBZWYYRSERFJ-UHFFFAOYSA-N 492.528 4.078 50 10 JIGE CCn1c(SCC(=O)NN=C/C(C)=C/c2ccccc2)nnc1-c1ccc(OC)c(OC)c1 254482390 LPOBETJPLSWPKB-XFZTUBIASA-N 465.579 4.280 50 10 JIGE BrC1=C[C@]2(Br)[C@H](Br)[C@H]3[C@@H]4C[C@@H]([C@H]1[C@@H]42)[C@H]3Br 384371689 KRSZSGUJZBJBNK-UMUQWIAYSA-N 461.817 4.451 50 10 JIGE C[C@@H](Br)C[C@H]1CCCN1S(=O)(=O)c1cc(Cl)c(Br)s1 387963477 RUDPTSVYKCFGKM-HTQZYQBOSA-N 451.633 4.491 50 10 JIGE CN1CCN(Cc2ccccc2)[C@H](Cn2c(CCl)nc3cc(I)ccc32)C1 694758488 VIMIDJGGNMPXJU-SFHVURJKSA-N 494.808 4.196 50 10 JIGE Cn1cc(Br)c([C@H](Br)c2cc(I)cc3c2OCC3)n1 710316012 RTNDZQAPZUEJKB-LLVKDONJSA-N 497.956 4.206 50 10 JIGE COc1cccc2c1OCC[C@@H]2NC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1 725743014 CBOKNNMYGVFPGA-ZHFOUCBBSA-N 453.502 4.019 50 10 JIGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(-c3cccc(C(=O)O)c3C)o2)cc1 1084036643 MMTLJTDBCNFWDL-QFIPXVFZSA-N 450.491 4.316 50 10 JIGE COc1ccc(Cl)cc1N(CC(=O)NN=Cc1cccs1)S(=O)(=O)c1ccc(C)cc1 1084564134 JYOVVHYIDDSYOH-UHFFFAOYSA-N 477.995 4.064 50 10 JIGE C=CCOc1ccc(CC(=O)NNc2nc3ccccc3c(=O)n2-c2cccc(C)c2C)cc1 1586159692 VPJPJCYVNHXEKY-UHFFFAOYSA-N 454.530 4.253 50 10 JIGE O=C(/C=C/c1ccc(Cl)cc1Cl)NNC(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O 1860771241 ODYLUJGQIFMYLP-VQHVLOKHSA-N 499.379 4.293 50 10 JIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(Cl)c2)cc(OC)c1OC 1865693191 SNSONIYTJWXKMB-OAQYLSRUSA-N 466.925 4.137 50 10 JIGE CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1cc(OC)c(O)c(OC)c1)C(C#N)=C(N)O2 1865714752 PJPCMEAULPRZAO-FQEVSTJZSA-N 466.925 4.419 50 10 JIGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](C)N3C(=O)c4ccccc4C3=O)n2)c(OC)c1OC 1872759572 SUOAIDLTKRZXDV-ITEXZYEPSA-N 491.525 4.313 50 10 JIGE CN(C[C@H]1C[C@@H](Br)C1)[C@@H](CN)c1cc(Br)cc(Br)c1 1887893431 QIMQKZIGISPAOW-PXWWUCIGSA-N 455.032 4.317 50 10 JIGE C[C@H](CBr)N(Cc1ccccc1)C(=O)c1cc(I)ccc1O 1914230473 WMTVHCUYODYSAY-GFCCVEGCSA-N 474.136 4.423 50 10 JIGE Brc1cc(I)cnc1N1C[C@@H](Br)C2(CCC2)C1 2015756587 IEMZXCRQJZZNKF-SNVBAGLBSA-N 471.962 4.203 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1cnc(Cl)c(Br)c1 2061269468 BUVPCYJJBUWGOM-UHFFFAOYSA-N 470.842 4.133 50 10 JIGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@H](CNC(=O)[C@@H](Cl)c2ccccc2)C1 2084717127 JFGGLTAIYNLDMI-YADHBBJMSA-N 458.002 4.204 50 10 JIGE CSCC[C@@H](C)N(C)S(=O)(=O)c1cc(CBr)sc1Br 2123201179 SUYGHONOESGESK-MRVPVSSYSA-N 451.271 4.168 50 10 JIGE O=C(c1c(Br)cccc1Br)N1C[C@H]2C[C@H](Br)C[C@H]2C1 2128635049 GCELCPYJDPKQIY-MYJAWHEDSA-N 451.984 4.457 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CC[C@H](Cl)[C@@H]1C1CC1 2130614166 BWVZETDWOYTARE-AAEUAGOBSA-N 454.533 4.286 50 10 JIGE C[C@H](Br)C[C@H]1CCCCCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2145937932 KIWBDHUJADWTSI-ZWKOTPCHSA-N 499.471 4.201 50 10 JIGE Cc1c(Br)cc(CBr)cc1S(=O)(=O)N1CCSSCC1 2179833665 VQSPJFVZSPKHSU-UHFFFAOYSA-N 461.266 4.038 50 10 JIGE CC(C)(C)OC(=O)N[C@@H]1CCC(C)(C)N(S(=O)(=O)c2ccc(CBr)cc2)C1 2193498555 WCFXHWOHYZCXFG-OAHLLOKOSA-N 461.422 4.038 50 10 JIGE Cn1c(=O)n(C)c2cc([C@@H](Br)C3CC(Br)C3)c(Br)cc21 2196891521 STGLMZYOVHXOKS-ROKYYSGWSA-N 466.999 4.249 50 10 JIGE Clc1ccc(I)c(CN2CCO[C@@H]3C[C@H](CBr)C[C@@H]32)c1 2199761026 ACWVHHGBRLXGCA-WKPIXPDZSA-N 470.576 4.319 50 10 JIGE BrC[C@]12COC[C@H]1CN(Cc1cc(Br)ccc1Br)C2 2226166051 FAKUVKDHPHFKNH-RISCZKNCSA-N 454.000 4.055 50 10 JIGE CN(Cc1cccc(I)c1)c1ncc(Br)c(CCl)n1 2265536181 JDWFEDGGLQOOOQ-UHFFFAOYSA-N 452.521 4.219 50 10 JIGE CC(C)(CBr)[C@@H]1CCCN1C(=O)c1c(F)cccc1I 2282791418 FZIRSLXSMMXRGK-LBPRGKRZSA-N 454.121 4.456 50 10 JIGE CC(=NNC(=O)C(=Cc1ccc(N(C)C)cc1)NC(=O)c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 2297104917 NHXAQQBTPWEPRS-UHFFFAOYSA-N 489.507 4.111 50 10 JIGE COc1cccc(NC(=O)C(C#N)=Cc2c(Oc3ccccc3)nc3c(C)cccn3c2=O)c1 2314532522 JYVQAPXCHGAGKZ-UHFFFAOYSA-N 452.470 4.350 50 10 JIGE CC(=O)OCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(C)c(F)c2)C(C)=C(C#N)C1=O 2314620206 MLJVMZUCDYRNAE-UHFFFAOYSA-N 498.514 4.142 50 10 JIGE Cc1ccc(C(=O)NCC(F)(F)C(F)(F)CI)cc1Br 2361687112 NQCZURTWSNUTOW-UHFFFAOYSA-N 468.026 4.193 50 10 JIGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCCC)cc2)cc1 14031334 NWZNTLDJEJVFIE-UHFFFAOYSA-N 457.596 4.384 50 10 JIGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 14648309 QPBWOJYGLNYJRE-UHFFFAOYSA-N 464.316 4.391 50 10 JIGE O=C(NN1C(=O)/C(=C/c2ccco2)N=C1c1ccccc1)[C@H](Cl)CC(Cl)(Cl)Cl 15223290 VNINXEWTYNHBQU-CKXDQPNJSA-N 461.132 4.308 50 10 JIGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)c1OC 38658883 HMVFECNQRZBSPF-MYYSRTQBSA-N 490.487 4.434 50 10 JIGE CCOc1ccc(Br)cc1/C=N/NC(=O)COc1ccc(C)cc1Br 40911911 JNGFZDQMXHRUGU-UFFVCSGVSA-N 470.161 4.448 50 10 JIGE Cc1cc(C)cc(NC(=O)N/N=C/c2cc(Br)c(I)o2)c1 59104654 IKVIZCTZFFMMCX-REZTVBANSA-N 462.085 4.419 50 10 JIGE CC[C@H](Br)C(=O)Nc1c(Br)cc(Br)cc1C(=O)OC 61490065 NRKWYPZBNAAXQI-QMMMGPOBSA-N 457.944 4.110 50 10 JIGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 101339759 HGGKCRWUUSCKCT-RGVLZGJSSA-N 483.436 4.376 50 10 JIGE Cn1cc(/C=N\NC(=O)c2cccn(Cc3ccc(Cl)c(Cl)c3)c2=O)c2ccccc21 169920479 GJQIFYXXJKNXSI-ZRGSRPPYSA-N 453.329 4.459 50 10 JIGE CCCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc(/C=C(/C#N)C(=O)OC)cc2OC)cc1 206271645 FTOCIIYSJGMGSP-FGBZTSAVSA-N 460.486 4.467 50 10 JIGE CCOC(=O)/C(C#N)=C(/Nc1ccccc1)SC(=O)/C=C/C(=O)Nc1ccc(OCC)cc1 210098520 AKIBLXJZXLAGGW-GRQHZBQTSA-N 465.531 4.250 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)NCCC[C@@H](C)Br)cc1Br 227801739 QICHXLQTCCWYNE-SECBINFHSA-N 478.044 4.362 50 10 JIGE COC(=O)c1ccc(C=NNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)cc2)cc1 252595384 CARBEXYTOMIAGR-UHFFFAOYSA-N 485.569 4.272 50 10 JIGE CCCCCCCn1c(=O)c(C(=O)NN=Cc2cc(OC)c(OC)cc2OC)c(O)c2ccccc21 254711340 WHWADVYCKAITND-UHFFFAOYSA-N 495.576 4.467 50 10 JIGE CCOc1cc(C(=O)NN=C(C)c2cccc(NC(=O)C3CC3)c2)cc(OCC)c1OCC 254896312 GZFIJLKUQCXGRQ-UHFFFAOYSA-N 453.539 4.385 50 10 JIGE Cc1ccc(-n2nc(C)c(CC(=O)NNC(=O)c3cccc(OC(F)F)c3)c2C)cc1Cl 728484596 CICRGRVQGKOCAE-UHFFFAOYSA-N 462.884 4.056 50 10 JIGE Cn1cc(C(=O)NNS(=O)(=O)c2ccc(Oc3cccc(Cl)c3)cc2)c2ccccc21 731178834 SLSOUOXAWQUBLZ-UHFFFAOYSA-N 455.923 4.247 50 10 JIGE Cc1c(C(=O)Nc2cccnc2)oc2c1C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772749127 XCGRTGFWTNKJJR-UHFFFAOYSA-N 467.869 4.267 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccn2)[C@H]1c1cccc(Br)c1 1865684684 VURGXIGRGSTTPC-AWEZNQCLSA-N 462.229 4.267 50 10 JIGE COc1cccc(/C=N/NC(=O)[C@H](C)NC(=O)OC(C)(C)C)c1OCc1ccccc1Cl 1873794396 GZUKRSFNRJWVEE-SQAVSUBZSA-N 461.946 4.291 50 10 JIGE Brc1cccc(Br)c1CN1CC[C@@]2(C[C@@H](Br)CO2)C1 2137146797 ATXNKSJFNWWALI-QMTHXVAHSA-N 454.000 4.340 50 10 JIGE CCCN1CC[C@H]([C@@H](Br)c2cc(Br)ccc2Br)S1(=O)=O 2145770058 RKIJTZYFVWUSEF-OLZOCXBDSA-N 490.055 4.462 50 10 JIGE O=C(c1cccc(Br)c1Br)N1CCC(OCCBr)CC1 2148769887 LSNDQGWZGLFYIN-UHFFFAOYSA-N 469.999 4.228 50 10 JIGE O=S(=O)(C1CC(OCc2ccccc2)C1)N1CCC[C@]2(CBr)CCCC[C@@H]12 2165236820 BBWCZNYSVLWHMN-VFUGHAIPSA-N 456.446 4.484 50 10 JIGE CCCCO[C@H]1[C@@H](Oc2ccc(OC)c(I)c2)C[C@H]1Br 2174964931 JVSPNCMMRNESNH-BYCMXARLSA-N 455.130 4.400 50 10 JIGE O=C(c1cc(I)sn1)N1CCC2(CCC(CBr)CC2)C1 2176535498 VESZDAKEGMNDLC-UHFFFAOYSA-N 469.186 4.165 50 10 JIGE O=S(=O)(c1ccc(CBr)s1)N1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 2179823603 LLADVMPKXKWMAV-PKOBYXMFSA-N 469.470 4.318 50 10 JIGE O=C(c1ccc(F)cc1I)N1CC[C@@H](CBr)C12CCC2 2190362708 HQAYYYNAERZDDO-JTQLQIEISA-N 452.105 4.210 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N(C)C[C@H]2C[C@H](Br)C2)cc1Br 2196932567 ZTIMQOCAQSKQBL-MGCOHNPYSA-N 490.055 4.314 50 10 JIGE CC(C)(C)OC(=O)N1Cc2nc(NS(=O)(=O)c3ccc(CBr)cc3)sc2C1 2198508906 INEYALTZQIAWOI-UHFFFAOYSA-N 474.402 4.090 50 10 JIGE O=C(c1cccc(Br)c1Br)N1CC[C@H](OCCCBr)C1 2207037222 ICTPTDQGODCBRY-JTQLQIEISA-N 469.999 4.228 50 10 JIGE O=C(N[C@@H](CBr)c1cscn1)c1ccc(Cl)c(I)c1 2268339752 IYXYBDMDAUINMA-JTQLQIEISA-N 471.545 4.267 50 10 JIGE C[C@@H]1CN(C(=O)c2ccc(Cl)c(I)c2)C[C@@]1(C)CBr 2268346140 PEXFIJFGQUSUOJ-YMTOWFKASA-N 456.549 4.438 50 10 JIGE Cn1nc(Br)c(Br)c1C(=O)Nc1ccc(F)c(CBr)c1 2364017614 LRIONTFXQDMUED-UHFFFAOYSA-N 469.934 4.231 50 10 JIGE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2ccccc2O)cc1 2165532 WFERTIJBSMUAMC-RIKIFCPRSA-N 456.546 4.160 50 10 JIGE Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)c1 14644318 ZQQTUQDISHFCCC-CQSZACIVSA-N 496.789 4.053 50 10 JIGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)/C(C#N)=C\c1ccccc1 33777022 PCVDHYSUKOARHT-HRDIPXANSA-N 467.481 4.414 50 10 JIGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(=O)OC)cc2)cc1 38683638 OUCJNZOBVWYNTI-SANMLTNESA-N 484.508 4.238 50 10 JIGE COc1ccccc1NC(=O)/C(C#N)=C/c1c(Oc2ccccc2F)nc2c(C)cccn2c1=O 39993006 KYZJCKHCIWKXKZ-SAPNQHFASA-N 470.460 4.489 50 10 JIGE Nc1c(NNC(=O)c2ccccc2Br)ncnc1N(Cc1ccccc1)c1ccccn1 40784999 XIDTVKHAATXLFD-UHFFFAOYSA-N 490.365 4.312 50 10 JIGE C#CCOc1c(CC=C)cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1OCC 58895412 GYIOLGHDIDHUMP-GWFILXCOSA-N 464.562 4.188 50 10 JIGE Nn1c(SCCCC(=O)N/N=C/c2ccc(Cl)cc2)nnc1-c1ccccc1Br 58989441 XSPNPWUPCLJMMX-FSJBWODESA-N 493.818 4.097 50 10 JIGE O=S1(=O)CC[C@@H]([C@H](Br)c2cc(Br)c(Br)s2)C1 128201596 PKUHXDKFPOYTDO-XRGYYRRGSA-N 453.015 4.144 50 10 JIGE CCOc1cc(/C=N\NC(=O)c2ccc3nc(SC(C)C)[nH]c3c2)cc([N+](=O)[O-])c1OC 169917870 JSERSCHGMSKUQD-JJFYIABZSA-N 457.512 4.143 50 10 JIGE O=C(N/N=C\c1ccccc1C(F)(F)F)c1ccc(Nc2nc3ccccc3c(=O)[nH]2)cc1 169927845 UNHXNGQBENIHPJ-WKIKZPBSSA-N 451.408 4.449 50 10 JIGE CC(C)(C)OC(=O)N1C[C@@H](I)[C@H](OCc2ccc(Br)cc2)C1 231319374 HMCIRLOJFKHEGB-ZIAGYGMSSA-N 482.156 4.389 50 10 JIGE COc1ccccc1C=NNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1 254909228 ZMMQUGVMBXFVIZ-UHFFFAOYSA-N 457.559 4.494 50 10 JIGE COc1ccc(CO[C@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)cc1 310598790 BILIRLITUSQSMQ-IBGZPJMESA-N 461.340 4.417 50 10 JIGE CC[C@H](C)[C@H](CO[C@@]1(CI)CCCN(C(=O)OC(C)(C)C)C1)OC 384786734 WJWOFEBDJGENJE-RLFYNMQTSA-N 455.377 4.269 50 10 JIGE CCOC(=O)c1ccc(NC(=O)C(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3)c2C)cc1 725405609 MAOMKLMUCMZQHN-UHFFFAOYSA-N 466.925 4.013 50 10 JIGE C[C@H](NC(=O)NNC(=O)CCOc1ccccc1)c1ccc(OCc2ccc(F)cc2)cc1 728752484 PJDMUKLYPILOBQ-SFHVURJKSA-N 451.498 4.265 50 10 JIGE Cc1c(C(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)nnn1-c1ccc(F)c(Cl)c1 731165318 NJUDIBLZHLEMST-UHFFFAOYSA-N 497.889 4.161 50 10 JIGE CCOC(=O)Cc1csc(NC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)n1 818100210 AWHVVOIHANYYAQ-MHWRWJLKSA-N 494.964 4.225 50 10 JIGE CS(=O)(=O)N(Cc1ccc(C(=O)NN=Cc2ccccc2O)cc1)c1cccc(Cl)c1Cl 1083986903 UGQRZQVWAXWTMY-UHFFFAOYSA-N 492.384 4.429 50 10 JIGE Cc1ccccc1N(CC(=O)NN=Cc1cc(Br)c(C)o1)S(=O)(=O)c1ccccc1 1084220952 JLCLFTVRVQXXIT-UHFFFAOYSA-N 490.379 4.005 50 10 JIGE O=C(NN=Cc1ccncc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 1084611898 ZZFIORNDKVOCIR-UHFFFAOYSA-N 467.185 4.271 50 10 JIGE CCOc1cc(C=NNC(=O)C2CCCCC2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1772720437 OFMQYQAJWOIRKP-UHFFFAOYSA-N 484.549 4.361 50 10 JIGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(OCC)c(OC)c1)C(C#N)=C(N)O2 1865695402 OERARLMSXQXZGO-HSZRJFAPSA-N 460.534 4.459 50 10 JIGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)cc1 1865708945 JXVWXNPMTMVEIN-QGZVFWFLSA-N 472.398 4.094 50 10 JIGE N#C/C(=C\c1ccc(F)cc1)C(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 1866126998 BWKPCFMPKRDYFM-XXMKCSCWSA-N 486.499 4.094 50 10 JIGE COc1cc2[nH]c(C(=O)O)c(/C=N/NC(=O)c3ccc4[nH]c5c(c4c3)CCCC5)c2cc1OC 1873498358 GNQFXFHPWPVMGF-RPPGKUMJSA-N 460.490 4.007 50 10 JIGE Cc1cc(CCl)ccc1-n1c(C)nc(I)c1I 1941553289 PUJXESUPXCYNKA-UHFFFAOYSA-N 472.495 4.437 50 10 JIGE CCOC(=O)Cc1cc(I)cc(CBr)c1OC(F)(F)F 2055268383 UMGABRJZFAELBP-UHFFFAOYSA-N 467.019 4.190 50 10 JIGE O=S(=O)(c1ncc(I)cc1Br)C1(CCl)CCCCC1 2133383596 FWOHURMHWGMCBJ-UHFFFAOYSA-N 478.577 4.164 50 10 JIGE C[C@H](NS(=O)(=O)c1cc(Br)ccc1Br)[C@H]1CCC[C@@H]1Br 2167851653 HAVNSIXFMUFDMP-GDPRMGEGSA-N 490.055 4.442 50 10 JIGE O=S(=O)(c1ccsc1CBr)N1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 2179869843 DBSMRQJSPTUSHH-QZTJIDSGSA-N 469.470 4.318 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2CCC[C@@H]2[C@H](C)Br)cc1Br 2193585015 RSDPCCOJMSAZEZ-JOYOIKCWSA-N 490.055 4.457 50 10 JIGE CC(C)(C)OC(=O)N[C@H](Cc1ccccc1Br)C(=O)NC[C@H]1C[C@H](Br)C1 2229134440 AJJBXFZXOOVAQD-XNRPHZJLSA-N 490.236 4.175 50 10 JIGE Clc1ccc(I)c(CN2C[C@H]3OCCC[C@]3(CBr)C2)c1 2239161250 MDNGIPNCSWPHQZ-CABCVRRESA-N 470.576 4.321 50 10 JIGE CNC(=O)C(C#N)=C1S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(Cl)cc1 2293039244 SEROIOZAUZLWLU-QGZVFWFLSA-N 476.783 4.275 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1[C@H]2CC[C@H](C2)[C@H]1CBr 2330991208 HSSUAOABZWPFRS-DFAYQTQMSA-N 498.984 4.442 50 10 JIGE COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(-c2ccccc2)cc1 9696094 POWXGHGHFJCPAB-UHFFFAOYSA-N 484.375 4.074 50 10 JIGE Cc1cccc(OCC(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c1 12492042 UFZSTWOURKVPJX-UHFFFAOYSA-N 459.546 4.385 50 10 JIGE Cc1cc(OCC(=O)NNC(=S)NC(=O)/C=C/c2cccc3ccccc23)ccc1Br 12503529 SCCJVWDDMGLCAV-FMIVXFBMSA-N 498.402 4.025 50 10 JIGE Cc1ccc(C(=O)NNC(=O)c2ccc(OCCOc3ccccc3)cc2)cc1Br 14039510 NZFHVBLNCNBWCX-UHFFFAOYSA-N 469.335 4.290 50 10 JIGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)N2CCOCC2)cc1C 33694112 LXBGFCVZOJWRLN-XLNRJJMWSA-N 456.546 4.402 50 10 JIGE Cc1c(C(=O)N2CCN(c3ccccc3)CC2)oc2c1/C(=N/NC(=O)c1ccc(F)cc1)CCC2 40811867 ZWOKKHROWABYOZ-QUPMIFSKSA-N 474.536 4.160 50 10 JIGE N#CC(/C=C1\C=CC(=O)C(Br)=C1)=C1\NC(c2cc3cc([N+](=O)[O-])ccc3oc2=O)=CS1 137891050 GMKJRFXDPNHBFJ-NRLAHSJCSA-N 496.298 4.415 50 10 JIGE CCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)cc1 206416031 VWFKWNRTQNQUSB-JXAWBTAJSA-N 466.519 4.118 50 10 JIGE C[C@@H](CCCBr)NC(=O)c1cc(I)ccc1Br 235066147 BSXROUJNJGLZFU-QMMMGPOBSA-N 474.962 4.347 50 10 JIGE Cn1cc(CCOc2c(Br)cc(CBr)cc2Br)cn1 236088845 GPPXWBUDSPDWPY-UHFFFAOYSA-N 452.972 4.462 50 10 JIGE Cc1nn(-c2ccccc2Cl)c(Cl)c1C=NNC(=O)CCN1CCN(c2ccccc2)CC1 254406279 VBMRXNHIQOKGMV-UHFFFAOYSA-N 485.419 4.150 50 10 JIGE CO[C@@]1(c2ccc(Cl)c(OP(=O)(O)O)c2)OOC12[C@H]1CC3C[C@H]2CC(Cl)(C3)C1 514280153 AGMXMWDSGUBNPT-LIHRNGLTSA-N 451.239 4.129 50 10 JIGE O=C(NC[C@@H]1CCC[C@@H]1Br)c1ccc(I)c(Br)c1 721608287 GDPBXHDWZKDDMQ-UWVGGRQHSA-N 486.973 4.347 50 10 JIGE Cc1ccccc1OCCCNC(=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1 729622028 LPDGBCBQRDLZOM-UHFFFAOYSA-N 451.498 4.126 50 10 JIGE Cc1cc(C=NNC(=O)CN(c2ccccc2)S(C)(=O)=O)c(C)n1-c1ccc(Cl)c(Cl)c1 1084088956 JFFRLXRKTSYDBP-UHFFFAOYSA-N 493.416 4.317 50 10 JIGE O=C(NN=Cc1cc(Cl)ccc1O)[C@H]1CCCN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1084097562 CZTSFKFZCHYZQY-OAHLLOKOSA-N 456.808 4.092 50 10 JIGE COc1ccc([N+](=O)[O-])c([C@H]2CN(Cc3ccccc3)C[C@H]2CI)c1 1614637450 HPJJYBFPLOVUAL-QAPCUYQASA-N 452.292 4.254 50 10 JIGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@@H](c2ccc(O)cc2O)C(C#N)=C(N)O3)cc1 1865681629 RWHRVIMXIYANHE-QHCPKHFHSA-N 482.496 4.186 50 10 JIGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1ccccn1 1865692689 HMHYCOMWEYLBEW-KRWDZBQOSA-N 471.439 4.302 50 10 JIGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2)c1OC 1865701594 YZNQZDHDLWEYLO-KRWDZBQOSA-N 456.424 4.186 50 10 JIGE N#CSc1ccc(NC(=O)[C@@H](CO)NC(=O)C[C@@H](c2ccccc2)c2ccc(F)c(F)c2)cc1 1867122505 HWFWSGKKLVRIBF-NZQKXSOJSA-N 481.524 4.176 50 10 JIGE CC(C)(C)OC(=O)N(CCNS(=O)(=O)c1ccc(CCl)cc1)OCc1ccccc1 1962817174 MSVIUHPAFAVSPF-UHFFFAOYSA-N 454.976 4.073 50 10 JIGE O=C(Nc1cc(Br)ccc1I)C1CC(Br)C1 1991409573 VBSRSWHPDVKJKA-UHFFFAOYSA-N 458.919 4.166 50 10 JIGE BrC[C@H]1CC2(CC2)CN1c1ncc(I)cc1Br 2015765190 HCPCVMYKTGQDFW-SECBINFHSA-N 471.962 4.203 50 10 JIGE CCCN1CC[C@H]([C@@H](Cl)c2scc(Br)c2Br)S1(=O)=O 2089528666 VBPKEIUNVAGKBP-PSASIEDQSA-N 451.633 4.367 50 10 JIGE O=C(N[C@H]1C[C@H]2C[C@H]1C[C@H]2Br)c1cc(Br)ccc1I 2104412774 XRLLHQOWKWYAOJ-DQRYNJFASA-N 498.984 4.346 50 10 JIGE C[C@H]1[C@H](C)N(S(=O)(=O)c2csc(CBr)c2)C[C@@H](C)N1Cc1ccccc1 2123225709 SFONJPOOXKSGNF-PMPSAXMXSA-N 457.459 4.315 50 10 JIGE Cc1c(CBr)cccc1S(=O)(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C 2179795624 UGWPKBLFOIKUEE-KRWDZBQOSA-N 451.430 4.175 50 10 JIGE Cc1csc(CBr)c1S(=O)(=O)N1CCN(Cc2ccccc2)CC(F)(F)C1 2179822501 XHAMMUFTCRZUNC-UHFFFAOYSA-N 479.412 4.093 50 10 JIGE O=C(N[C@@]12CC[C@@](CBr)(C1)OC2)c1ccc(Br)cc1Br 2190184127 VQIIMPJXIGAWQH-KBPBESRZSA-N 467.983 4.028 50 10 JIGE Cc1cc(C(=O)N(C)[C@@H](CCBr)C(F)(F)F)ccc1I 2207112270 XLESWXATWNHRFD-NSHDSACASA-N 464.063 4.388 50 10 JIGE CC(C)(C)OC(=O)N[C@@H](Cc1cccc(Br)c1)C(=O)NC[C@H]1C[C@H](Br)C1 2229114173 NOINKRBDRQAPAX-BPUTZDHNSA-N 490.236 4.175 50 10 JIGE C[C@@](CBr)(NC(=O)c1ccc(Cl)c(I)c1)C(F)(F)F 2268349890 YRARKEGGVNTWGB-JTQLQIEISA-N 470.454 4.390 50 10 JIGE O=C(NC[C@]12CCC[C@@]1(CBr)C2)c1c(F)cccc1I 2282812599 UHPFLLHKWCOWQJ-LSDHHAIUSA-N 452.105 4.115 50 10 JIGE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)NCc2ccccc2)c1 2296542760 LEVYLTWTZUMIPJ-UHFFFAOYSA-N 450.498 4.327 50 10 JIGE Cc1cc(C(=O)O)ccc1-n1c(C)cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c1C 2313566851 BULKLMGOUNCGOL-UHFFFAOYSA-N 468.557 4.357 50 10 JIGE CCOc1ccc(C=C(C#N)C(=O)Nc2cc(OC)c(Br)cc2OC)cc1OC 2314728403 ACPFZHAGDZLZNJ-UHFFFAOYSA-N 461.312 4.419 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CC[C@H]2C[C@]1(CBr)C2 2336566770 BAQGNRDODLTMEE-DEZZCRIOSA-N 498.984 4.443 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1[C@H]2CC[C@@H]1C[C@@H](Br)C2 2340065632 WDKYZROXWXCCPK-UIKWRGBMSA-N 454.533 4.475 50 10 JIGE COc1ccc(CC(=O)N[C@@H](CCBr)COCc2ccccc2)c(Br)c1 2343413928 YRHGSZBZHAHGGA-KRWDZBQOSA-N 485.216 4.487 50 10 JIGE Cc1ncnc(N2C[C@@H](CBr)C[C@H](C(C)(C)C)C2)c1I 2365433615 WLTMTEYZAOZMPP-NEPJUHHUSA-N 452.178 4.273 50 10 JIGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)COc1ccc2ccccc2c1 12502619 LQCKXCUYLNJYKD-CYBMUJFWSA-N 492.384 4.015 50 10 JIGE O=C(CCC(=O)Nc1ccccc1Cl)NNC(=O)c1ccc(OCCc2ccccc2)cc1 14041596 UHXHZIBVNPVURD-UHFFFAOYSA-N 465.937 4.141 50 10 JIGE N#CC1=C(N)Oc2cc(OC(=O)[C@H]3COc4ccccc4O3)ccc2[C@H]1c1ccc(Cl)cc1 38687756 DMFFKFLLMKLXBD-DHIUTWEWSA-N 460.873 4.304 50 10 JIGE Cc1c(C(=O)Nc2ccc(F)cc2F)oc2c1/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 40812258 FLUWPTMXXYRNFL-OVVQPSECSA-N 468.416 4.497 50 10 JIGE N#C/C(=C\c1ccc(OC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1)C(=O)NCc1ccco1 40926252 JVIBJAQCONJKCO-XNTDXEJSSA-N 451.822 4.284 50 10 JIGE O=C(COc1ccc(C2CCCCC2)cc1)N/N=C1/C(=O)N(CCN2CCCCC2)c2ccccc21 59147672 MHCMSJHIZFIIRN-CCFHIKDMSA-N 488.632 4.466 50 10 JIGE C[C@H](OC(=O)/C(C#N)=C\c1ccc(N(C)C)cc1)C(=O)NC(c1ccccc1)c1ccccc1 96504757 KGNZIBKXQOKZPI-JHMOUWFPSA-N 453.542 4.497 50 10 JIGE C=CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)C1=O 101231019 XILRCDGHNLNJFO-HZHRSRAPSA-N 450.498 4.326 50 10 JIGE COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1ccccc1C 206398794 USGACXFWFQAOJH-HMAPJEAMSA-N 456.498 4.211 50 10 JIGE COc1ccc(NC(=O)C(=O)NN=Cc2ccc(OC(=O)c3cccc4ccccc34)cc2)cc1 254485849 OHTJEPVEXIXUHE-UHFFFAOYSA-N 467.481 4.156 50 10 JIGE CC(=O)Nc1ccc(C(=O)NN=C(C)CC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 254708692 UGXYVKQTSXFDGW-UHFFFAOYSA-N 458.518 4.359 50 10 JIGE CCOC(=O)c1c(NC(=O)C(=O)NN=C/C(C)=C\c2ccccc2)sc2c1CC[C@@H](C)C2 254737352 ZQPIMJCFQFITOW-WNNVIBBQSA-N 453.564 4.194 50 10 JIGE COc1ccccc1NC(=O)C(=O)NN=Cc1c(OC(=O)c2ccc(C)cc2)ccc2ccccc12 254824319 AMXLBQSMMPQQQG-UHFFFAOYSA-N 481.508 4.465 50 10 JIGE Cc1ccc(O)c([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)c1 382695353 QLKPCOQZOGCAQG-SJLPKXTDSA-N 451.304 4.488 50 10 JIGE C[C@H]1CN(S(=O)(=O)c2cc(CCl)sc2Br)CCN1Cc1ccccc1 396351080 FTFYISGOZZTFCR-ZDUSSCGKSA-N 463.850 4.144 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2CC[C@@H]([C@H](C)Br)C2)cc1Br 719785655 GKQITJFRVRINPD-VHSXEESVSA-N 490.055 4.314 50 10 JIGE C=CCc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc(OC)c1OCC(=O)O 1084012250 DGSGEUKANSVPGZ-UHFFFAOYSA-N 461.518 4.059 50 10 JIGE COc1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)cc1OC 1614807782 JSGLHSDVKKCWDK-MSOLQXFVSA-N 481.330 4.491 50 10 JIGE CC(=O)c1ccc(OCCCC(=O)NNc2cc(C(F)(F)F)nc(-c3ccccn3)n2)cc1 1648570565 WOWQWZCVMXJIME-UHFFFAOYSA-N 459.428 4.062 50 10 JIGE COc1ccc2c(c1)C(=NNC(=O)COc1ccc3cc(Br)ccc3c1)C(=O)N2C(C)C 1772720514 NOOMQTYHABKTQJ-UHFFFAOYSA-N 496.361 4.265 50 10 JIGE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1cccc(OC)c1OC)C(C#N)=C(N)O2 1865700911 HOIYMRNIAHJORG-HXUWFJFHSA-N 450.926 4.383 50 10 JIGE COC(=O)c1c(NC(=O)c2ccc3c(c2)C(=O)N(C(C)(C)C)C3=O)sc(/C(C)=C/C#N)c1C 1873427504 UTKNJUUKAPPKAN-FMIVXFBMSA-N 465.531 4.417 50 10 JIGE O=S(=O)(NC1(CCBr)CC1)c1c(Cl)cc(Br)cc1Cl 1877676723 OMIXAPRFVQROSI-UHFFFAOYSA-N 451.995 4.352 50 10 JIGE O=S(=O)(N[C@@H](CCBr)C(F)(F)F)c1ccc(Br)cc1Cl 1918522728 OQTFDROKGPPUJZ-VIFPVBQESA-N 459.509 4.097 50 10 JIGE Cc1c(Br)sc([C@@H](Br)[C@@H]2CCS2(=O)=O)c1Br 1922931362 BMOYTNXSWPGWEA-FSPLSTOPSA-N 453.015 4.205 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@H](Br)C2(CC2)C1 2032399269 BLUFEDZSWPQGOM-NSHDSACASA-N 484.957 4.053 50 10 JIGE CCN(CC)S(=O)(=O)C[C@@H](Br)c1csc(Br)c1Br 2032953424 JAOKFTOXGIOYPL-MRVPVSSYSA-N 484.073 4.381 50 10 JIGE O=C(CBr)c1c(I)cc(OC(F)(F)F)cc1OC(F)F 2060367479 NEOOERYNYOCWLO-UHFFFAOYSA-N 474.945 4.369 50 10 JIGE O=C(N[C@H](CBr)CC1CC1)c1ccc(Br)cc1I 2086146198 WNIOCZUARDTZQI-JTQLQIEISA-N 486.973 4.347 50 10 JIGE O=C(c1csc(I)c1)N1C[C@@]2(CBr)CCC[C@]2(F)C1 2120131527 UCEAMQFILFCGFK-STQMWFEESA-N 458.134 4.082 50 10 JIGE Cc1cc(S(=O)(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)ccc1CBr 2179785387 LKFSBYSHZNLPFH-HXUWFJFHSA-N 451.430 4.175 50 10 JIGE CC(C)[S@](=O)(=NC(=O)[C@H](Br)C1CCCC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2183216885 SHSDNEWTYGHTKU-LBVFDXDZSA-N 465.454 4.353 50 10 JIGE Cc1cccc(C(=O)N2C[C@H](CCBr)C(C)(C)C2)c1I 2238463772 RVRTTYYWXAXLOW-LBPRGKRZSA-N 450.158 4.483 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1C[C@@H](Br)C2(CCC2)C1 2268356582 UKHOZHJZCVALRA-GFCCVEGCSA-N 454.533 4.334 50 10 JIGE Cc1ccc(S(=O)(=O)C(C#N)=Cc2c(Oc3ccccc3)nc3c(C)cccn3c2=O)cc1 2296718526 RDMQUIPPGAFFNH-UHFFFAOYSA-N 457.511 4.442 50 10 JIGE CCOC(=O)C(C#N)=C(Nc1ccccc1)SC(=O)C=CC(=O)Nc1ccc(C(C)=O)cc1 2297556936 XICUHZMWSQYEHJ-UHFFFAOYSA-N 463.515 4.054 50 10 JIGE Cc1cc(C=C(C#N)C(=O)NCc2cccs2)c(C)n1-c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 2313540500 DSTBPVJLKKLJPQ-UHFFFAOYSA-N 491.573 4.124 50 10 JIGE O=C(NCCSCCCBr)c1c(Br)cccc1Br 2314073308 XIKGCGAVNANNCM-UHFFFAOYSA-N 460.029 4.460 50 10 JIGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1cncc(Br)c1 2314754892 GVGKBYUGKNVMIF-UHFFFAOYSA-N 496.317 4.278 50 10 JIGE COc1ccc(CCC(=O)NN=C2C(=O)N(Cc3ccccc3Cl)c3ccccc32)cc1OC 2326840018 KSNDMIUTTDYXTP-UHFFFAOYSA-N 477.948 4.357 50 10 JIGE COc1ccc(C=C(C(=O)N2CCC[C@@H](C(=O)NNc3ccccn3)C2)c2ccccc2)cc1OC 2328569398 XXIDSNVUBPMUGN-JOCHJYFZSA-N 486.572 4.021 50 10 JIGE CC(C)[C@@H]1C[C@@](NCCSSCCNC(=O)OC(C)(C)C)(C(=O)O)CN1Cc1ccccc1 2349637768 BQJZXGSFLPOATF-RDPSFJRHSA-N 497.727 4.236 50 10 JIGE C[C@@H](Oc1ccccc1Cl)C(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 14026978 COVCGSSPVUXEQJ-CYBMUJFWSA-N 483.790 4.394 50 10 JIGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)c1 38659796 BQSZINOMAUGJNU-QHCPKHFHSA-N 473.441 4.049 50 10 JIGE N#CC1=C(N)Oc2cc(OC(=O)c3cc4ccccc4oc3=O)ccc2[C@H]1c1ccc([N+](=O)[O-])cc1 38688201 UFKJPCLHYKCNJJ-HSZRJFAPSA-N 481.420 4.139 50 10 JIGE COc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4ccc(OC)cc4OC)c(C)c32)cc1 40813845 HKSIQNZCSNEGFR-VFCFBJKWSA-N 477.517 4.337 50 10 JIGE COc1cccc(OCC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)c(OC)c2)c1 40961085 UMQMPDLBLZPSBL-VULFUBBASA-N 454.910 4.465 50 10 JIGE C=CCOc1c(CC=C)cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1OC 58895317 ZQMDSXGORNSWKV-HTYUJRJUSA-N 452.551 4.351 50 10 JIGE C=CCNC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(OCC)cc1 101241817 QKYHEIKHKUMMOZ-SSXUBFHHSA-N 467.978 4.467 50 10 JIGE Cc1sc(Br)cc1S(=O)(=O)N[C@H](CBr)Cc1ccccc1 136904103 FMBFIOXPFNEABY-LBPRGKRZSA-N 453.221 4.104 50 10 JIGE CC(=O)O[C@](C)(CBr)C(=O)[C@H](Br)[C@H](Br)c1ccccc1 196215673 HJINCWAXZPNGLV-YRGRVCCFSA-N 470.983 4.172 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2CC[C@H](Br)[C@@H](C)C2)cc1Br 229488348 SYPLIKUYWPMUHP-UWVGGRQHSA-N 490.055 4.314 50 10 JIGE CC(C)(C)C(=O)NNC(=O)CSc1nnc(-c2ccc3ccccc3c2)n1-c1ccccc1 253563854 FVXIDVOKNRNATM-UHFFFAOYSA-N 459.575 4.373 50 10 JIGE CCC(=NNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1C)c1ccc(O)cc1 254842344 DVZQLRQHXGKMOH-UHFFFAOYSA-N 472.570 4.422 50 10 JIGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3cccc(O)c3)n2-c2ccc(C)cc2)cc1 254874959 LXSNUGOOHFPTQX-UHFFFAOYSA-N 473.558 4.199 50 10 JIGE CC(C)(C)OC(=O)N1CCC(CI)(OCCOc2ccccc2)CC1 301907954 QOZSODLQHXPEQB-UHFFFAOYSA-N 461.340 4.287 50 10 JIGE C[C@H]1CN(Cc2ccccc2)CCN1S(=O)(=O)c1cc(CCl)ccc1Br 382639664 ALYWCMTWHKWTHS-HNNXBMFYSA-N 457.821 4.083 50 10 JIGE O=C(CCl)c1c(Br)ccc(I)c1I 575685380 GRLKMBWUMDLLGY-UHFFFAOYSA-N 485.284 4.080 50 10 JIGE CC(C)(C)OC(=O)N1C[C@H](CI)[C@H](c2ccc([N+](=O)[O-])cc2F)C1 725432730 HPAFMZWOIIWTOO-GXFFZTMASA-N 450.248 4.119 50 10 JIGE COc1cc(C(=O)NN=Cc2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc(OC)c1OC 1084257271 IFCHLYWBHLSCBF-UHFFFAOYSA-N 496.432 4.085 50 10 JIGE O=C(Cn1c2ccccc2c(=O)c2ccccc21)NN=Cc1ccc(-c2ccccc2C(=O)O)o1 1084648330 ABMJBBUAKRPFMO-UHFFFAOYSA-N 465.465 4.263 50 10 JIGE Cc1ccc(SCCCC(=O)NNC(=O)CCC(=O)c2ccc(Br)cc2)cc1 1865755895 WBFKICUATROEOH-UHFFFAOYSA-N 463.397 4.440 50 10 JIGE CC(=O)Nc1cccc(C(=O)NNC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)nc2C)c1 1865759074 GWCYPXAAPRPCJZ-UHFFFAOYSA-N 457.317 4.397 50 10 JIGE CC(=O)Nc1cccc(C(=O)NNC(=O)c2ccc(-c3ccc(Cl)cc3Cl)nc2C)c1 1865759488 CNYKTKBMQAIAOC-UHFFFAOYSA-N 457.317 4.397 50 10 JIGE N#CSc1ccc(NC(=O)[C@H](CO)NC(=O)C[C@@H](c2ccccc2)c2cccc(F)c2)cc1 1866770663 BIGDSIRXYJBZOS-GOTSBHOMSA-N 463.534 4.037 50 10 JIGE Cc1nnc(N2CCN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4ccccc4)n3)CC2)n1C 1868365149 MDCWPDITFHOMTA-UHFFFAOYSA-N 483.605 4.224 50 10 JIGE CCOc1ccc(/C=C(/C(=O)N2CCC[C@H](C(=O)NNc3ccccn3)C2)c2ccccc2)cc1 1873777304 DVYBTNLIBSBELO-PNCDLBDQSA-N 470.573 4.403 50 10 JIGE O=S1(=O)CCC([C@H](Br)c2cc(Br)ccc2Br)CC1 2029376990 MCEXTIAIVGLUGC-LBPRGKRZSA-N 461.013 4.472 50 10 JIGE CCOC(=O)Cc1cc(CBr)c(C(F)(F)F)cc1I 2055268693 XOCJRPNNXBQDSM-UHFFFAOYSA-N 451.020 4.311 50 10 JIGE O=C(CBr)c1cc(OC(F)F)cc(I)c1C(F)(F)F 2060377575 SAAZBAXXUORLFY-UHFFFAOYSA-N 458.946 4.489 50 10 JIGE C[C@@]1(CCl)CC(F)(F)CN1c1ncc(I)cc1Br 2069536135 QKHXJKQNJAOMEI-JTQLQIEISA-N 451.480 4.292 50 10 JIGE F[C@@H](CBr)C1CCN(c2ncc(I)cc2Br)CC1 2069537949 RIAIQGJXYAIPJB-NSHDSACASA-N 491.968 4.398 50 10 JIGE Fc1cncc(F)c1-n1nc(CBr)c(I)c1C(F)(F)F 2078924170 TXUMNYUADQFUGG-UHFFFAOYSA-N 467.961 4.064 50 10 JIGE O=C(c1cc(Br)c(Br)s1)N1[C@H](CBr)C[C@H]2OCC[C@@H]21 2090529100 AXFDYQXYYAEQEZ-CNUIFLNQSA-N 474.012 4.040 50 10 JIGE CN(CC1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1cc(CBr)cs1 2123232914 XJFBGDPJEYFRTQ-UHFFFAOYSA-N 457.459 4.176 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CC[C@H](Cl)[C@@H]2CC[C@@H]21 2133722793 LIVDWNHFFPBDMN-GAFUQQFSSA-N 454.533 4.286 50 10 JIGE Cc1cc(S(=O)(=O)N2CCN(Cc3ccccc3)C(C)(C)C2)ccc1CBr 2179785132 IDDOTYIEMJNZLJ-UHFFFAOYSA-N 451.430 4.175 50 10 JIGE Cn1c(=O)n(C)c2cc([C@@H](Br)[C@H]3C[C@@H](Br)C3)c(Br)cc21 2196896933 STGLMZYOVHXOKS-DAROEXNTSA-N 466.999 4.249 50 10 JIGE O=C(c1sccc1I)N1CC[C@@H]2[C@@H](Br)CCC[C@H]2C1 2225380053 HRLJBNYBGADAQZ-DCAQKATOSA-N 454.171 4.378 50 10 JIGE COc1cc2c(C=NNC(=O)c3ccc4[nH]c5c(c4c3)CCCC5)c(C(=O)O)n(C)c2cc1OC 2321672363 XTPPSQAWNYETDP-UHFFFAOYSA-N 474.517 4.018 50 10 JIGE COc1cc(C(=O)NN=Cc2ccc(OC(=O)c3ccccc3Cl)c(OC)c2)ccc1O 15933767 HTALEKPDKVBLQK-UHFFFAOYSA-N 454.866 4.046 50 10 JIGE CCc1ccc(Oc2ncnc(NNC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2[N+](=O)[O-])cc1 40658692 ORMYZFIIJSIFEO-UHFFFAOYSA-N 458.818 4.058 50 10 JIGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)c1c(OC)cccc1OC 40869962 NJLLYKPERUZSQJ-XSFVSMFZSA-N 472.497 4.155 50 10 JIGE CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1=O 101332451 VNCQPLKAPKHOEY-FYJGNVAPSA-N 453.458 4.060 50 10 JIGE O=S1(=O)CC[C@H](C(CBr)(CBr)Cc2ccc(Br)s2)C1 118669523 BENJPHUGZATIEO-VIFPVBQESA-N 495.096 4.264 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N[C@H]2CCC[C@H]2Br)cc1Br 158614452 ITZUKAKCOGSRJM-KCJUWKMLSA-N 476.028 4.114 50 10 JIGE Cc1ccc(O[C@@H](C)C(=O)NN=Cc2ccc(O)c(Br)c2)c(Br)c1 256017577 UKGYXLWXAMLJNW-NSHDSACASA-N 456.134 4.143 50 10 JIGE C[C@@H]1CCN(S(=O)(=O)c2cc(CCl)oc2Br)CCN1Cc1ccccc1 382648199 QTHADWGWNFUTLH-CQSZACIVSA-N 461.809 4.066 50 10 JIGE BrCc1cc(Br)c(OC[C@@H]2C[C@H]3COC[C@@H]3O2)c(Br)c1 724603781 IWMSBSRNQTVGRO-KWBADKCTSA-N 470.983 4.289 50 10 JIGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 920847332 CVSVSJZXYBGLEO-XNTDXEJSSA-N 484.343 4.287 50 10 JIGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1 1215241561 CGHACQTXENZRED-KRWDZBQOSA-N 458.474 4.173 50 10 JIGE CCOc1c(Br)cc(C=NNC(=O)COc2cccc(Br)c2)cc1OC 1772754566 YRGXXCBIQAEKMS-UHFFFAOYSA-N 486.160 4.148 50 10 JIGE CCC[C@H](NC(=O)CCCc1ccc2c(c1)OCCO2)C(=O)Nc1ccc(SC#N)cc1 1866788881 GIJUZXUHZDWTPH-FQEVSTJZSA-N 453.564 4.277 50 10 JIGE Cc1ccc(-c2nc3cc(C(=O)N[C@@H](CO)C(=O)Nc4ccc(SC#N)cc4)ccc3o2)cc1 1866884270 WPCKBXQKENVGPP-NRFANRHFSA-N 472.526 4.106 50 10 JIGE CSCC[C@H](NC(=O)C[C@H](c1ccccc1)c1nnc(C)o1)C(=O)Nc1ccc(SC#N)cc1 1867036449 TXDXKCZEBMHSKQ-RTWAWAEBSA-N 495.630 4.350 50 10 JIGE COC(=O)c1c(NC(=O)/C=C/c2ccc(OC(C)=O)c(OC)c2)sc(/C(C)=C/C#N)c1C 1873427006 BAPTVZPNQXQSGN-IJQSQKGZSA-N 454.504 4.356 50 10 JIGE C[C@H](Br)[C@H](NS(=O)(=O)c1cc(Cl)c(Br)s1)C(F)(F)F 1882673080 FECPFXRBRYLILO-DZSWIPIPSA-N 465.538 4.157 50 10 JIGE CN(C[C@@H](Br)COCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1 1916361906 OTUGFZLTWXUDEZ-MRXNPFEDSA-N 477.218 4.050 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CC[C@@](F)(CBr)C1 1917142841 IVJBTOXPJFUVLY-GFCCVEGCSA-N 490.936 4.003 50 10 JIGE CCOc1cc(I)cc(I)c1CBr 2060226092 SFTAVYOUDCFWGI-UHFFFAOYSA-N 466.882 4.189 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CN(C(=O)OC(C)(C)C)[C@@]2(CCCOC2)C1 2061262902 WDEPBAXUNLNEGJ-VGSWGCGISA-N 491.720 4.041 50 10 JIGE O=C(c1sccc1I)N1CC[C@@](CBr)(C(F)(F)F)C1 2111395327 XQHXMMKUROTPAV-JTQLQIEISA-N 468.076 4.142 50 10 JIGE C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(CCl)cc2Br)CN1Cc1ccccc1 2154838238 BLZYTIPXHKIRMK-CRAIPNDOSA-N 471.848 4.471 50 10 JIGE C[C@@H](c1cncs1)N(C)S(=O)(=O)c1cc(CBr)sc1Br 2179791678 UWDMJCJHGARTMP-ZETCQYMHSA-N 460.238 4.244 50 10 JIGE CN(C[C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(CBr)cc1Cl 2179795832 WVHFNNTXVDKAME-GOSISDBHSA-N 471.848 4.378 50 10 JIGE COc1ccc(-n2c(C)nc(I)c2I)c(CCl)c1 2220417344 MDDRWAWYBSTNPT-UHFFFAOYSA-N 488.494 4.137 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N[C@@H](CBr)C(F)(F)F 2277915342 KCKTXKDXLHKANO-VIFPVBQESA-N 467.905 4.196 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N[C@@H]1C[C@H]2C[C@H]1C[C@H]2Br 2295309616 LKOHEMFULHBEBX-RDBQEKCUSA-N 466.011 4.432 50 10 JIGE CN1CC[C@@](C)(CO[C@@](C)(CI)c2ccccc2Br)C1 2296402777 AXNXDDCCBPALCX-CVEARBPZSA-N 452.174 4.458 50 10 JIGE BrCC12CC(CCN1c1ncc(I)cc1Br)C2 2299767232 UANLHCAJRRWWAK-UHFFFAOYSA-N 471.962 4.203 50 10 JIGE CC[C@H](NC(=O)C(C#N)=CN1CCN(c2ccccc2OC)CC1)c1ccc2c(c1)CCCC2 2325092511 CGYAJVWLTOETLF-VWLOTQADSA-N 458.606 4.371 50 10 JIGE CN1CC(C)(C)[C@@H]1CO[C@](C)(CI)c1ccccc1Br 2360385879 DNSQEDBWTQRQHY-GOEBONIOSA-N 452.174 4.456 50 10 JIGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc(Br)c1OC(C)=O 6073968 VXJAPNYYVKFANF-XGICHPGQSA-N 494.685 4.490 50 10 JIGE Cc1ccc(NC(=O)CCC(=O)NNC(=O)c2cccc(OCCc3ccccc3)c2)cc1C 10331431 CRSRJUBBZLPADX-UHFFFAOYSA-N 459.546 4.105 50 10 JIGE CCCCC(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(OC(C)C)c(Br)c2)cc1 14658929 PSOMXGGZIPGBKT-UHFFFAOYSA-N 476.371 4.440 50 10 JIGE COc1ccc(/C(C#N)=C\c2ccc(OC(=O)CNC(=O)c3ccccc3)c(OC)c2)cc1OC 31902073 CIAOKOHFLMGDEB-BKUYFWCQSA-N 472.497 4.112 50 10 JIGE Cc1ccc(Cc2nc(N3CCCN(C(=O)[C@H](C)Cl)CC3)c3c(-c4cccnc4)noc3n2)cc1 34810490 HOGSMTASHDYZEC-SFHVURJKSA-N 490.995 4.245 50 10 JIGE O=C(NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccnc(C23CC4CC(CC(C4)C2)C3)c1 35553558 MUZZGCLHNMKEGV-UHFFFAOYSA-N 454.914 4.186 50 10 JIGE CCOc1c(Br)cc(/C=N/NC(=O)COc2ccc(Cl)c(C)c2)cc1OC 40911796 MEQYHPNGMIWDFO-LSHDLFTRSA-N 455.736 4.347 50 10 JIGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Cl)cc(Br)c2O)cc1 58893184 YCIBVWZAYKZYRR-SXOHWRJOSA-N 455.736 4.171 50 10 JIGE COc1cccc(/C=N\NC(=O)CCc2nc3ccccc3nc2O)c1OCc1ccccc1 169887077 LCYVESKWTMSCIL-YUMHPJSZSA-N 456.502 4.006 50 10 JIGE N#C/C(=C/NCCc1ccccc1F)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216509867 WDNDXASCQYSJLA-ROMGYVFFSA-N 468.576 4.299 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2CC[C@@H](Br)[C@@H](C)C2)cc1Br 230665990 SYPLIKUYWPMUHP-VHSXEESVSA-N 490.055 4.314 50 10 JIGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)NN=Cc1ccccc1O 252611524 IKHKDBXGQBTDKA-HNNXBMFYSA-N 470.986 4.066 50 10 JIGE CC(C=NNC(=O)c1ccc(OCC(C)C)cc1)=NNC(=O)c1ccc(OCC(C)C)cc1 254822645 SQYPCCYAUTYURO-UHFFFAOYSA-N 452.555 4.278 50 10 JIGE COCc1cc(C)nc(SCC(=O)NN=Cc2cc(C)n(-c3ccc(F)cc3)c2C)c1C#N 254860953 WYDAJESXVONNSU-UHFFFAOYSA-N 465.554 4.197 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N(CCCBr)C1CC1 721618174 ZOGBLQMFBANVJY-UHFFFAOYSA-N 486.973 4.443 50 10 JIGE CCCCOc1ccc(C=NNC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccccc2)cc1 1083894914 ORHJHTDZBLXULG-UHFFFAOYSA-N 495.601 4.220 50 10 JIGE Cc1cc(C=NNC(=O)CSc2ccc([N+](=O)[O-])cc2)c(C)n1-c1cccc([N+](=O)[O-])c1 1084297458 BOSVTDRVGBELLL-UHFFFAOYSA-N 453.480 4.153 50 10 JIGE Nn1c(SCCCC(=O)NN=Cc2cccc(Cl)c2)nnc1-c1ccc(Br)cc1 1084319950 NWRBYMBQEQXBTI-UHFFFAOYSA-N 493.818 4.097 50 10 JIGE COc1cc(C=NNC(=O)COc2ccc(Cl)cc2)ccc1OCc1cccc(C(=O)O)c1 1084579836 AJAOUEDULOMLNT-UHFFFAOYSA-N 468.893 4.155 50 10 JIGE C#Cc1cccc(N(CC(=O)NC)C(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(C)cc3)c2C)c1 1519568301 ZYQGOYOGYFMSHL-LFVJCYFKSA-N 450.542 4.070 50 10 JIGE Cc1ccc(C(C)C)cc1OCC(=O)NN=Cc1cc([N+](=O)[O-])cc(Br)c1O 1565517683 QQFFQAOKJCKRAF-UHFFFAOYSA-N 450.289 4.024 50 10 JIGE CC(=O)CCc1ccc(OCc2cccc(C(=O)NNc3nc(O)c4ccccc4n3)c2)cc1 1650861768 JQBANWQDJUCYCX-UHFFFAOYSA-N 456.502 4.193 50 10 JIGE C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)NNc1cccc(OC(F)F)c1Br 1651597484 LWNNNCVFYTYTBT-LLVKDONJSA-N 452.255 4.009 50 10 JIGE O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)N/N=C\c1ccccc1Br 1860772885 KTGVYMNNGQMNJV-MYKKPKGFSA-N 467.348 4.038 50 10 JIGE CCc1nn(-c2ccccc2)c2c1[C@H](c1cc(Br)c(O)c(OC)c1)C(C#N)=C(N)O2 1865689130 KQJHYHTUUAKSGW-GOSISDBHSA-N 467.323 4.130 50 10 JIGE CCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865695446 CQJOGHNINGEHCR-FQEVSTJZSA-N 465.351 4.489 50 10 JIGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccn2)c(OC)c1 1865708600 YUQFXKZMUYMBBG-JOCHJYFZSA-N 451.486 4.170 50 10 JIGE Cc1oc(-c2ccc(F)cc2)nc1CC(=O)NC(C)(C)C(=O)Nc1ccc(SC#N)cc1 1866661218 QLBCQHFPOJZHFO-UHFFFAOYSA-N 452.511 4.438 50 10 JIGE Oc1ncnc(N(Cc2ccccc2)C2(CBr)CCC2)c1I 1915750744 XREZHFNCHBOFPK-UHFFFAOYSA-N 474.140 4.111 50 10 JIGE C=C(CBr)CCNC(=O)c1ccc(I)c(Br)c1 2020211764 PRNSASVPPKFESC-UHFFFAOYSA-N 472.946 4.125 50 10 JIGE CCOC(=O)Cc1cc(C(F)(F)F)cc(I)c1CBr 2055275472 KHCRKFZIUFFVMB-UHFFFAOYSA-N 451.020 4.311 50 10 JIGE C[C@]1(CCBr)CCN1C(=O)c1cc(Br)ccc1I 2084699869 LHORVCQGTGIQTB-ZDUSSCGKSA-N 486.973 4.443 50 10 JIGE O=C(c1cccc(Br)c1Br)N1CC[C@@H]2[C@H](CBr)[C@@H]2C1 2093124995 DTHSCHURPMVALE-DVVUODLYSA-N 451.984 4.315 50 10 JIGE C=C[C@@]1(CBr)COCCN1C(=O)c1cc(Br)c(Br)s1 2135107511 FDXRWSOMYDQJNL-GFCCVEGCSA-N 474.012 4.065 50 10 JIGE BrCc1cc(Br)c(OC[C@@H]2OC[C@H]3CCO[C@@H]23)c(Br)c1 2145934242 KHJOBVQQNPKZOI-JIMOISOXSA-N 470.983 4.289 50 10 JIGE COc1cc(CBr)cc(Br)c1OCc1cnn(C)c1Br 2173255597 GGQSNMRQANWKRO-UHFFFAOYSA-N 468.971 4.428 50 10 JIGE Cc1c(CBr)cccc1S(=O)(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 2179794769 KLNCHLLLOASOSG-KRWDZBQOSA-N 451.430 4.175 50 10 JIGE CC(C)(C)[C@@H]1[C@H](Br)CCN1C(=O)c1cc(I)ccc1F 2185105323 BPECWGAQZVCVTE-YPMHNXCESA-N 454.121 4.454 50 10 JIGE COCC1(COC)C[C@H](Br)[C@H](Cc2ccc(I)cc2)C1 2190834009 AZBOIPGDRPKJCJ-HIFRSBDPSA-N 453.158 4.286 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CCC(F)(F)[C@@H](CCl)C1 2207270846 DPAYIZCWXVNCPN-QMMMGPOBSA-N 478.502 4.390 50 10 JIGE CCOC(=O)C(C#N)=Cc1cc(I)c(OCc2ccccc2)c(OC)c1 2297452712 WJLXRTAJAVZQHH-UHFFFAOYSA-N 463.271 4.349 50 10 JIGE O=C(COc1ccc2ccccc2c1)NN=Cc1cc(Br)c(Br)o1 2297710045 GGOZQKRBFSPRNQ-UHFFFAOYSA-N 452.102 4.487 50 10 JIGE CC(C)(CCCl)C(=O)Nc1cc(I)cc(I)c1 2300170696 PZIAJPBQQUXCCP-UHFFFAOYSA-N 477.511 4.489 50 10 JIGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C)C(=O)C(C#N)=C2C)cc1F 2314617577 FQYZQPVOGRFRGD-UHFFFAOYSA-N 456.477 4.299 50 10 JIGE CCCCOc1ccc(C=C(C#N)C(=O)Nc2sc3c(c2C(=O)OC)[C@H](C(=O)OC)CC3)cc1 2314735443 UHKMLXMAKPAHRN-GOSISDBHSA-N 482.558 4.462 50 10 JIGE COc1ccc(NC(=O)C(C#N)=CNc2ccc(I)cc2C)cc1OC 2324059583 XBJUZGGCVHWHPS-UHFFFAOYSA-N 463.275 4.075 50 10 JIGE O=C(c1ccc(Br)cc1I)N1[C@H]2CC[C@@H]1[C@H](CBr)C2 2333350768 GUUXAVLWNWHJPX-GMOODISLSA-N 498.984 4.442 50 10 JIGE O=C(c1sccc1I)N1CC[C@H](Br)C[C@@H]1C(F)(F)F 2336330729 WZVFHIUTQGTFTP-POYBYMJQSA-N 468.076 4.283 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1C[C@@H](Br)CC2(CC2)C1 2340064865 IGVWAGPSNZODLT-VIFPVBQESA-N 454.533 4.334 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N[C@H]1C[C@@H]2C[C@H]1C[C@H]2Br 2360163679 LKOHEMFULHBEBX-ZNIXKSQXSA-N 466.011 4.432 50 10 JIGE ClC[C@H]1CN(Cc2ccc(I)c(Br)c2)CC2(CCC2)O1 2377335484 SRKGHJSNIPRQES-LBPRGKRZSA-N 470.576 4.416 50 10 JIGE COc1ccc(Br)c(CCl)c1OCc1ncc(I)cn1 2381288418 QEALSENOOYWYEW-UHFFFAOYSA-N 469.504 4.170 50 10 JIGE COc1ccc(-c2cc(C(=O)N/N=C/c3cccc(OCc4ccccc4)c3)[nH]n2)cc1OC 2444290 CYNGHZOEJAJONN-JVWAILMASA-N 456.502 4.437 50 10 JIGE Cc1ccc(NC(=O)CCC(=O)NNC(=O)COc2ccc3ccccc3c2Br)c(C)c1 12576549 LVIHWCZLDWCYDQ-UHFFFAOYSA-N 498.377 4.164 50 10 JIGE N#C/C(=C/c1cc(Br)c(O)c(Br)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 33795640 VBXQKBCTAIHJCZ-WMZJFQQLSA-N 467.073 4.371 50 10 JIGE COc1cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(F)c2)cc(OC)c1OC 38677997 PETPKVFGQRNIKM-QHCPKHFHSA-N 476.460 4.289 50 10 JIGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCC(=O)O 59335605 AHSLBCQVSSJLGD-NVNXTCNLSA-N 459.296 4.165 50 10 JIGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CC)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 101332463 NANBCFSFKRACEA-FYJGNVAPSA-N 497.511 4.458 50 10 JIGE Cc1c(C(=O)NNC(=O)c2cccc(Cl)c2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1)CCC2 101594784 VLLYBYZRINBJHY-OVVQPSECSA-N 499.354 4.440 50 10 JIGE CCCOc1cc(/C=N\NC(=O)c2cccn(Cc3ccccc3Cl)c2=O)ccc1OC 169920825 KMJVWNHIJLWKHV-YSMPRRRNSA-N 453.926 4.111 50 10 JIGE C[C@H]1C[C@@H](Br)CN(C(=O)c2cc(I)ccc2Br)C1 401966279 UUFOQBANCTZQJU-DTWKUNHWSA-N 486.973 4.299 50 10 JIGE O=C(COc1ccc(Br)cc1Br)NN=C1CCCc2ccccc21 1084501101 GMFPEWNZWQKPOM-UHFFFAOYSA-N 452.146 4.447 50 10 JIGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)c2cc(-c3cccnc3)[nH]n2)cc1 1867157483 YDLMEAOWFNWGAX-QFIPXVFZSA-N 486.532 4.164 50 10 JIGE O=C(N[C@H](CBr)CC1CC1)c1cc(I)ccc1Br 2029976519 CQQDFUKOFMACIQ-JTQLQIEISA-N 486.973 4.347 50 10 JIGE CCOC(=O)c1c(I)cc(OC(F)(F)F)cc1CBr 2055266264 RSMUJWBDWWNHBR-UHFFFAOYSA-N 452.992 4.261 50 10 JIGE O=S(=O)(c1ccc(CBr)c(Br)c1)N(Cc1ccccc1)[C@H]1CCOC1 2059390886 UQDGUFRTKNWSKS-INIZCTEOSA-N 489.229 4.324 50 10 JIGE CN(C[C@H]1C[C@@H](Br)C1)C(=O)c1cc(I)ccc1Br 2076208824 OTJQBTRXCNTRHS-DTORHVGOSA-N 486.973 4.299 50 10 JIGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@@H](CNC(=O)[C@@H](Cl)c2ccccc2)C1 2084717126 JFGGLTAIYNLDMI-VXKWHMMOSA-N 458.002 4.204 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1C[C@H]2[C@H](Br)CC[C@H]2C1 2087938352 WSHVWXNSUHIWEK-XXILOJSOSA-N 454.533 4.190 50 10 JIGE C[C@](CBr)(NC(=O)c1cc(Cl)ccc1I)C(F)(F)F 2105104700 NXKQVVQNEIOXNM-SNVBAGLBSA-N 470.454 4.390 50 10 JIGE O=S(=O)(NC[C@@H](Br)CC(F)(F)F)c1ccc(Cl)c(Br)c1 2175688470 FWVRFFZQEPQURC-LURJTMIESA-N 459.509 4.097 50 10 JIGE CN(C[C@H]1C[C@H](Br)C1)C(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@]1(C)C(F)(F)F 2196914181 KVYYTASAOHQLQH-HPTBWKMGSA-N 457.331 4.054 50 10 JIGE CS(=O)(=O)C1([C@H](Br)Cc2cc(Br)cc(Br)c2)CC1 2263524614 IIUVTNSRDOHNIM-LLVKDONJSA-N 461.013 4.095 50 10 JIGE C[C@H](Br)[C@@H](NC(=O)c1ccc(Cl)c(I)c1)C(F)(F)F 2268352776 QLTWUAKNTGSGSJ-SSDLBLMSSA-N 470.454 4.389 50 10 JIGE CCCOc1ccccc1C=C(C#N)C(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1 2314774232 ZEEGJLGUUIHFKB-UHFFFAOYSA-N 491.573 4.229 50 10 JIGE CCOc1ccc(C=C(C#N)C(=O)N(c2ccccc2)S(=O)(=O)c2ccccc2)cc1OC 2314777777 UEOUHXJHTFUAMG-UHFFFAOYSA-N 462.527 4.423 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC[C@@H]2COC3(C)CC2C3)C1 2317959251 HREXJWYTGIPOIE-IRSFRRDYSA-N 465.372 4.023 50 10 JIGE COc1cc(C(=O)NCC(O)=C(C#N)c2nc(-c3ccc(F)cc3)cs2)cc(OC)c1OC 2331342643 NYLPMFZBNOGASH-UHFFFAOYSA-N 469.494 4.198 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1CC[C@H]2C[C@]1(CBr)C2 2336787056 BTOFKMIRQPCAAG-DEZZCRIOSA-N 454.533 4.334 50 10 JIGE COc1ccc(NC(=O)COC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(F)cc3)c2C)cc1OC 11459223 HZTOWLOKZVQOHA-XDHOZWIPSA-N 477.492 4.339 50 10 JIGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OC)cc2)cc1 38650391 TVATUFKEWFGZEI-AREMUKBSSA-N 456.498 4.460 50 10 JIGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(N2CCCc3ccccc32)c1[N+](=O)[O-] 40647553 BHYXYAPSNMPGGM-UHFFFAOYSA-N 489.319 4.298 50 10 JIGE C=CCNC(=O)/C(C#N)=C1\S[C@@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(OC)cc1 101241663 LRBKVWKSMRERON-ZNCVUUBVSA-N 453.951 4.077 50 10 JIGE COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)OCC(=O)C(C#N)=C3Nc4ccccc4N3)c2C)cc1 104415241 XEOHCVIDQOSAKG-MOSHPQCFSA-N 493.523 4.395 50 10 JIGE Cc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(O)c(O)c3)n2C2CCCCC2)cc1 254703840 SAMMEQNDYNVJDT-UHFFFAOYSA-N 465.579 4.412 50 10 JIGE FC(F)(F)Oc1nc(CBr)c(I)cc1Br 396161727 RIQPABVDCRDDHC-UHFFFAOYSA-N 460.813 4.242 50 10 JIGE COc1ccc(C(=O)N[C@H]2Cc3ccccc3C2=NNC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 1088689647 YIKHCQODOKOOSY-NRFANRHFSA-N 498.461 4.474 50 10 JIGE C#C[C@H](NC(=O)NNC(=O)Nc1ccc(Br)cc1Cl)c1ccc(Cl)cc1 1636552577 QAODABHKMNAXRA-AWEZNQCLSA-N 456.127 4.466 50 10 JIGE CCOc1cc(C=NNC(=O)CCNC(=O)c2ccccc2Cl)ccc1OC(=O)c1ccccc1 1772719723 PSRULAFEZDPVOP-UHFFFAOYSA-N 493.947 4.228 50 10 JIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3C)cc(Br)c1OC(C)C 1865697834 CMPLFOQWFLTNPN-CYBMUJFWSA-N 487.276 4.215 50 10 JIGE N#C/C(=C\c1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1 1866129598 ANYFSVKEKFZTIU-GXDHUFHOSA-N 474.329 4.130 50 10 JIGE CCN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(Br)c(CCl)c1 1915018496 JWYXOJYCGAOZNX-GOSISDBHSA-N 471.848 4.473 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H](Cl)CC2(CC2)C1 1925986622 DWQOMBPQEALAKS-JTQLQIEISA-N 454.533 4.287 50 10 JIGE CC(C)N(CCOCCBr)c1ncc(I)cc1Br 2069525167 DKNYWWMJONKJNZ-UHFFFAOYSA-N 491.993 4.075 50 10 JIGE CN(C[C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(CCl)c(Br)c1 2144842534 XDODWTSSPSRAQE-KRWDZBQOSA-N 471.848 4.331 50 10 JIGE Cc1cccc(C(=O)N2[C@H]3CC[C@H]2[C@H](F)[C@@H](Br)C3)c1I 2190680012 TVWBERLEENNVIO-XYJRDEOASA-N 452.105 4.078 50 10 JIGE O=S(=O)(c1ccc(CBr)s1)N1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 2226341602 PSBZACYXDVLUSV-CALCHBBNSA-N 455.443 4.071 50 10 JIGE O=C(c1c(F)cccc1I)N1C[C@@H]2CCC[C@@H](Br)[C@H]2C1 2282792057 MFBVTOLZBRMLEZ-GARJFASQSA-N 452.105 4.066 50 10 JIGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=CC=Cc2ccc([N+](=O)[O-])cc2)cc1 2295483047 USLSIEKCVGLZAW-UHFFFAOYSA-N 483.528 4.247 50 10 JIGE C=CCNC(=O)C(C#N)=Cc1c(N(Cc2ccccc2)Cc2ccccc2)nc2ccccn2c1=O 2296732308 UGJXGXHCFINGJO-UHFFFAOYSA-N 475.552 4.110 50 10 JIGE CCOc1ccc(C=C(C#N)C(=O)Oc2ccc3cc(C(=O)N[C@@H](C)CC)c(=O)oc3c2)cc1OC 2314750947 GFQNCPATSGXHDF-INIZCTEOSA-N 490.512 4.241 50 10 JIGE N#CC(=C(O)CCCN1C(=O)c2ccccc2C1=O)c1nc(-c2ccc3c(c2)OCO3)cs1 2331334028 ZJRJOKOITOLUIS-UHFFFAOYSA-N 459.483 4.408 50 10 JIGE Cc1c(CBr)ccc(NS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)c1C 2342156484 GJKRHIAXSKXGSL-UHFFFAOYSA-N 479.396 4.016 50 10 JIGE Cn1nc(Br)c(Br)c1C(=O)N[C@@]1(CBr)CCCC1(C)C 2364231291 XIUVJFYTJMYMSS-CYBMUJFWSA-N 472.019 4.019 50 10 JIGE O=C(N/N=c1/oc2ccc(Br)cc2cc1-c1nc2ccccc2[nH]1)c1ccncc1 1496844 PUAIAZKLQVNORI-XAYXJRQQSA-N 460.291 4.379 50 10 JIGE O=C(/C=C/c1cccc2ccccc12)NC(=S)NNC(=O)COc1cccc2ccccc12 12503537 IKUFHFIWBQBBOZ-FOCLMDBBSA-N 455.539 4.107 50 10 JIGE C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NNC(=O)COc1ccc2ccccc2c1 14644264 YAEFVFJENDKXMG-CYBMUJFWSA-N 477.742 4.249 50 10 JIGE C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NNC(=O)COc1ccc(Cl)cc1Br 14665942 TUVMRPHIGTUTHV-ZDUSSCGKSA-N 483.790 4.394 50 10 JIGE CCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)OC)cc2OC)cc1OCC 33378388 XYJNBRNCOVGPKN-CSKCXYSASA-N 451.475 4.191 50 10 JIGE Cc1ccc2c(O)nc(/C(C#N)=C\c3cc([N+](=O)[O-])ccc3OCC(=O)Nc3nccs3)nc2c1 35519524 ICSCOMCYFMVVBV-DHDCSXOGSA-N 488.485 4.090 50 10 JIGE Cc1nc(-c2cccc(F)c2)nc(N2CCN(C(=O)[C@@H](C)Cl)CC2)c1Cc1ccccc1 35890459 FPOGCJWAPJAGCV-QGZVFWFLSA-N 452.961 4.458 50 10 JIGE O=C(NNc1ncnc(NN(c2ccccc2)c2ccccc2)c1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 40646418 SIYTVHXUFMAXKC-UHFFFAOYSA-N 486.448 4.215 50 10 JIGE COc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccc3c(c2)OCO3)C(=O)CCl)cc1 97914322 NQPCWKPQYQGQNF-DEOSSOPVSA-N 472.969 4.182 50 10 JIGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccccc3OC)cc2OCC)cc1 254393296 DGVQYLGHJPWREE-UHFFFAOYSA-N 462.502 4.476 50 10 JIGE O=C(NN=Cc1ccc(N(CCCl)CCCl)cc1)c1[nH]nc2c1CCc1ccccc1-2 254868773 CQPDLOZFYKIEDD-UHFFFAOYSA-N 456.377 4.223 50 10 JIGE O=C(NC[C@@]1(CBr)CCCOC1)c1scc(Br)c1Br 700889628 BQIVKFVXPGHGMR-LBPRGKRZSA-N 476.028 4.195 50 10 JIGE O=S1(=O)CCC(Oc2c(Br)cc(Br)cc2CBr)CC1 701614432 UMDXZGFVEUUCDD-UHFFFAOYSA-N 477.012 4.063 50 10 JIGE CCCC(=O)NC[C@H]1CCCN(C(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)C1 726170763 AYTJXXBMTQBARQ-BWCLHNGZSA-N 493.011 4.179 50 10 JIGE CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cn2)cc1 726171014 VWFOCPXCFJEIAL-CAPFRKAQSA-N 477.565 4.083 50 10 JIGE O=C(Cc1cccnc1)NNC(=O)c1cc(-c2ccccc2)nc2cc(Br)ccc12 728850177 JPCRBPAJSPWORE-UHFFFAOYSA-N 461.319 4.063 50 10 JIGE COc1ccc(O)c(C=NNC(=O)CCCCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 1084062861 SIZKNSIKVYRDCD-UHFFFAOYSA-N 468.432 4.450 50 10 JIGE O=C(NN=Cc1cccc(Br)c1)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 1084131941 ZPSIPRNPMAOOIR-UHFFFAOYSA-N 467.279 4.374 50 10 JIGE COc1ccc(C[C@H](C)N(C)C(=O)NNC(=O)c2ccc(Br)cc2Cl)cc1 1251630506 XSSJWCNKTSWMPD-LBPRGKRZSA-N 454.752 4.029 50 10 JIGE Cc1c(C(=O)N2CCOCC2)oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772748602 ZOHRUNQSGBBQMN-UHFFFAOYSA-N 457.530 4.198 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2Cl)[C@@H]1c1ccc(O)cc1O 1865681183 HBHSDSGJZVCGRY-MRXNPFEDSA-N 462.815 4.233 50 10 JIGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)c(Cl)c2)cc1O 1865682223 JBRBJRRDYIGETF-HXUWFJFHSA-N 457.317 4.479 50 10 JIGE COc1ccc(-c2nn(CC(C)C)c3c2[C@H](c2cc(OC)ccc2OC)C(C#N)=C(N)O3)cc1 1865692946 QGEQDCPHFDLMQZ-JOCHJYFZSA-N 460.534 4.450 50 10 JIGE O=C(Cn1c(O)nc2ccccc2c1=O)N/N=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 1873792365 DYNRYWAFNCSLCP-KKMKTNMSSA-N 497.338 4.138 50 10 JIGE O=S(=O)(NC[C@H]1C[C@@H](Br)C1)c1c(Cl)cc(Br)cc1Cl 1887736326 QDSBKLYFTHBEBF-KNVOCYPGSA-N 451.995 4.208 50 10 JIGE CCOC(=O)Cc1ccc(CBr)c(Br)c1I 2054975093 KPGADKWUQISVCW-UHFFFAOYSA-N 461.919 4.054 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CCC[C@](F)(CCl)C1 2101308945 VHCCLFRYBWFNCA-ZDUSSCGKSA-N 460.512 4.237 50 10 JIGE Cc1sc(CBr)cc1S(=O)(=O)N1C[C@H](C)N(Cc2ccccc2)C[C@@H]1C 2123232131 MKPNHPBLLBPHHA-GJZGRUSLSA-N 457.459 4.235 50 10 JIGE Cc1csc(CBr)c1S(=O)(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 2123236465 HURUOMNEDJFDNN-INIZCTEOSA-N 457.459 4.237 50 10 JIGE CN(C[C@@H]1CCCCN1Cc1ccccc1)S(=O)(=O)c1ccc(CBr)s1 2123243233 HFFOKGVRYKBZLN-KRWDZBQOSA-N 457.459 4.318 50 10 JIGE Cc1nc(C)n(CCO[C@@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)c1C 2128021119 HLZPWGULZPMQLP-LJQANCHMSA-N 477.387 4.030 50 10 JIGE CCN1CCC[C@H]([C@@H](Br)c2cc(Cl)ccc2I)S1(=O)=O 2145757732 GLIAYISLUNDBQT-OLZOCXBDSA-N 492.604 4.195 50 10 JIGE C[C@@H](Br)C[C@H]1CCCCCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2145937929 KIWBDHUJADWTSI-QZTJIDSGSA-N 499.471 4.201 50 10 JIGE O=S(=O)(NC[C@@H](CBr)C1CCC1)c1cc(Br)ccc1Br 2146172472 KNRWQUKIRGJYDW-SNVBAGLBSA-N 490.055 4.301 50 10 JIGE C[C@@H]1CCN(S(=O)(=O)Cc2ccc(CBr)cc2)CCN1Cc1ccccc1 2179787119 KEMNXUNBWRMAQY-GOSISDBHSA-N 451.430 4.008 50 10 JIGE CCN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(CBr)cc1F 2179787319 NDQHECAVOBJWSY-GOSISDBHSA-N 455.393 4.006 50 10 JIGE CC(C)(C)[C@@H]1[C@@H](Br)CCN1C(=O)c1cccc(F)c1I 2185103052 LMEOGLOFEYSBIJ-GWCFXTLKSA-N 454.121 4.454 50 10 JIGE COc1ccc(C(=O)Oc2ccc(C=C(C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2OC)cc1 2313670816 YEOLKCFXUNZKHM-UHFFFAOYSA-N 473.441 4.377 50 10 JIGE COc1ccc(C=NNC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)cc1OCc1ccccc1 2328826153 KWOKUOGCGMNQNN-FQEVSTJZSA-N 487.622 4.371 50 10 JIGE O=C(N[C@H]1C[C@@H](CBr)[C@@H]2C[C@H]12)c1c(Br)cccc1Br 2329871474 MXKWNWDPKXVDPF-PEFMBERDSA-N 451.984 4.361 50 10 JIGE COC(=O)c1c(NC(=O)c2ccc3c(c2)C(=O)N(CC(C)C)C3=O)sc(C(C)=CC#N)c1C 2331557494 BYCGGMOCQBSSQH-UHFFFAOYSA-N 465.531 4.274 50 10 JIGE CCOC(=O)c1ccc(Nc2ncnc(NNC(=O)c3ccc(Cl)cc3Cl)c2[N+](=O)[O-])cc1 40645777 LXGLZAVTKZFGFR-UHFFFAOYSA-N 491.291 4.369 50 10 JIGE O=C(NC[C@@H]1CCCC[C@@H]1CBr)c1ccc(F)cc1I 236282846 IEYHZEOLHLHKLF-MNOVXSKESA-N 454.121 4.361 50 10 JIGE O=C(NN=Cc1cccc([N+](=O)[O-])c1)/C(=C\c1cccs1)NC(=O)c1ccccc1Cl 252621726 NFPRCDVOOJBIHT-DTOOKEJNSA-N 454.895 4.231 50 10 JIGE COc1cc(C(=O)NN=Cc2ccc(OC(=O)/C=C/c3ccccc3)cc2)cc(OC)c1OC 254480224 IPVRSSIRRFRABE-CUAGQLROSA-N 460.486 4.095 50 10 JIGE Cc1ccc(COc2ccc(C=NNC(=O)C(=O)Nc3cccc(Br)c3)cc2)cc1 254836837 PGRUJRJSVOWWHC-UHFFFAOYSA-N 466.335 4.425 50 10 JIGE CCCOc1ccc(C(=O)NCC(=O)NN=Cc2ccc(OCc3ccc(C)cc3)cc2)cc1 254851117 LOVVZFPTTCOVHN-UHFFFAOYSA-N 459.546 4.243 50 10 JIGE FC(F)(F)Oc1ncc(I)c(Br)c1CBr 396167497 ZXBIXBOVZQKDGV-UHFFFAOYSA-N 460.813 4.242 50 10 JIGE FC(F)(F)Oc1c(I)cc(Br)nc1CBr 396178188 IAGWYIMQVPEHGP-UHFFFAOYSA-N 460.813 4.242 50 10 JIGE COc1cc(C(=O)NN=Cc2ccc(Sc3nc4ccccc4[nH]3)o2)cc(OC)c1OC 1083920360 VHGKVSMQUOGERO-UHFFFAOYSA-N 452.492 4.097 50 10 JIGE COc1cc(C(C)C)c(OC)cc1C=NNC(=O)Cn1c(-c2ccccn2)nc2ccccc21 1084002668 PQNIQHIKIXSOOS-UHFFFAOYSA-N 457.534 4.389 50 10 JIGE CC1=C(C(=O)NN=Cc2cccc(Br)c2)[C@H](c2ccccc2Cl)NC(=S)N1 1084072782 DEGHEYHGAPOHSS-KRWDZBQOSA-N 463.788 4.046 50 10 JIGE O=C(NN=C1C(=O)N(CCc2ccccc2)c2ccc(Br)cc21)c1cccs1 1084613910 XTVMKJGNBRNJIP-UHFFFAOYSA-N 454.349 4.234 50 10 JIGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2cccc(-c3nc4ccccc4o3)c2)cc1 1210394866 SLYBQEUDBXNXSH-MRXNPFEDSA-N 458.474 4.318 50 10 JIGE COc1ccc(OCC(=O)NNC(=O)c2ccc(-c3ccc(Cl)cc3Cl)nc2C)cc1 1865759514 DYFIABSLJQXYST-UHFFFAOYSA-N 460.317 4.212 50 10 JIGE CC(=O)Oc1ccc(C[C@@H](NC(=O)c2cccc(Cl)n2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866567886 ZRXVQPWLEYBWAF-OAQYLSRUSA-N 494.960 4.213 50 10 JIGE COc1ccc(OC)c(-c2csc(/C(C#N)=C(\O)[C@@H](C)N3C(=O)c4ccccc4C3=O)n2)c1 1873921086 UOJNSOMUNIBKIS-HZWATPOSSA-N 461.499 4.305 50 10 JIGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)c1csc(I)c1 1916371785 VCKFPXPWDMKFJY-CQSZACIVSA-N 494.192 4.405 50 10 JIGE CN(C[C@H]1C[C@H](Br)C1)c1ncc(I)cc1Br 1991502582 LQWKKXAKNYAXGK-ZKCHVHJHSA-N 459.951 4.058 50 10 JIGE CCOC(=O)Cc1cc(C(F)(F)F)c(I)cc1CBr 2055266553 WXDIBLVGQYOAMM-UHFFFAOYSA-N 451.020 4.311 50 10 JIGE O=C(N[C@H](CBr)c1cccs1)c1cc(I)ccc1F 2119041175 VSWBJRMVOMRAAR-LLVKDONJSA-N 454.102 4.358 50 10 JIGE O=S(=O)(N(CCC(F)(F)F)Cc1ccccc1)N1CCC[C@H](CCBr)C1 2123362786 JUDOZFDUTLSKFY-MRXNPFEDSA-N 457.356 4.183 50 10 JIGE CC(C)(C)OC(=O)N1CCN(CC2(CBr)CCOCC2)C[C@@H]1CC(F)(F)F 2176100722 CXASHFRGQLYHRH-AWEZNQCLSA-N 459.347 4.052 50 10 JIGE Cc1ccc(CBr)cc1S(=O)(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1 2179787546 QNHWDAQWTFCFSS-KRWDZBQOSA-N 451.430 4.033 50 10 JIGE C[C@H]1CN(Cc2ccccc2)[C@H](C)CN1S(=O)(=O)Cc1cccc(CBr)c1 2179788387 BSSFXQQXQINWOP-MSOLQXFVSA-N 451.430 4.006 50 10 JIGE Cc1cc(S(=O)(=O)N2CC[C@H]3CN(Cc4ccccc4)C[C@H]3C2)sc1CBr 2179809251 RJMBRROKKOPDJJ-ROUUACIJSA-N 469.470 4.094 50 10 JIGE O=C(c1cc(I)ccc1F)N1CC[C@H](CBr)C12CCC2 2190361767 XWGUJHNGBOCTOW-SNVBAGLBSA-N 452.105 4.210 50 10 JIGE Clc1ccc(I)c(CN2C[C@H]3OCCC[C@@]3(CBr)C2)c1 2239161255 MDNGIPNCSWPHQZ-HUUCEWRRSA-N 470.576 4.321 50 10 JIGE CC1(C)OCCN(C(=O)c2cc(Br)ccc2Br)[C@H]1CBr 2282891447 ZHVNHUJCPFSHAD-LBPRGKRZSA-N 469.999 4.226 50 10 JIGE CS(=O)(=O)C[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2300171699 FGXAKPIAVOBBFO-RXMQYKEDSA-N 473.383 4.485 50 10 JIGE COc1ccc(CCOC2(CI)CCOCC2)c(Br)c1 2364693408 NFNVOORLHOYLPF-UHFFFAOYSA-N 455.130 4.001 50 10 JIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)ccc1OC(=O)c1cccs1 3014112 XSQXBGNSAQFCAY-HXUWFJFHSA-N 472.478 4.300 50 10 JIGE CC[C@@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)c2ccccc2OCc2ccccc2)c1 10672500 DTCIWBBMKIWAKC-GOSISDBHSA-N 477.586 4.392 50 10 JIGE C/C(=N\NC(=O)CCCCCCCC(=O)N/N=C(\C)c1ccc(O)cc1)c1ccc(O)cc1 20075270 KPKQCNSPJNFNHS-BFNWXZRRSA-N 452.555 4.209 50 10 JIGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(OC)cc4)ccc32)cc1 38685801 QJVSFEUFZCMJJJ-SANMLTNESA-N 472.497 4.296 50 10 JIGE O=C(NNc1ncnc(NCCC2=CCCCC2)c1[N+](=O)[O-])c1ccccc1Br 40622189 KTQUYNZOOIHZFG-UHFFFAOYSA-N 461.320 4.207 50 10 JIGE COC(=O)c1ccc([C@@H]2Nc3ccc(C(C)=NNC(=O)CC4(C)OCCO4)cc3[C@H]3C=CC[C@H]32)cc1 254317355 KCHMRVKCPNKWDT-VRUMLPLGSA-N 489.572 4.293 50 10 JIGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)cc1 254415186 NIDBPHJXEFCEGC-UHFFFAOYSA-N 492.528 4.484 50 10 JIGE CC[C@@H](Br)[C@@H](C)NS(=O)(=O)c1cc(Br)ccc1Br 387358065 GWZMDUVHEFRCGZ-VXNVDRBHSA-N 464.017 4.052 50 10 JIGE FC(F)(F)Oc1ncc(CBr)c(I)c1Br 396176989 DGBAGDHHEICCHW-UHFFFAOYSA-N 460.813 4.242 50 10 JIGE O=C(NNC(=O)c1ccc(Br)cc1Cl)c1cc(-c2cccc(Cl)c2)no1 728827037 HXWWZNCRQWRPLD-UHFFFAOYSA-N 455.095 4.486 50 10 JIGE CN(C)[C@H](CNC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1)c1ccccc1 827533319 DHGNCEITPAHNSY-INJUALFYSA-N 472.980 4.443 50 10 JIGE COc1cc(C=NNC(=O)CC2(C)OCCO2)ccc1OCc1ccc(Cl)cc1Cl 1083892493 NHAGBDVHRASHOA-UHFFFAOYSA-N 453.322 4.184 50 10 JIGE CCN(CC)c1ccc(C=NNC(=O)COc2ccc(Br)cc2Br)c(O)c1 1084419085 BTHZLJAENYKLRM-UHFFFAOYSA-N 499.203 4.293 50 10 JIGE O=C(NNC(=O)c1ccc(-c2ccc3ccccc3c2)s1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1860391375 CSGQFDKYDJHFFI-UHFFFAOYSA-N 462.443 4.460 50 10 JIGE O=C(NNc1ccccn1)[C@H]1CCCN(C(=O)CCCOc2ccc(Br)cc2Cl)C1 1873777929 WVAFGKLZYCYNEO-HNNXBMFYSA-N 495.805 4.038 50 10 JIGE CN(CC1CC(Br)C1)[C@H](CN)c1c(Br)cccc1Br 1887900330 CKCYRFBRBRAADP-SRHKJQAYSA-N 455.032 4.317 50 10 JIGE Brc1cc(CN2CC=C[C@@H](Br)C2)ccc1I 1904344455 VJJOLQAIPYESLX-SNVBAGLBSA-N 456.947 4.189 50 10 JIGE O=C(NC1CC([C@@H](F)CBr)C1)c1cccc(Br)c1Br 1906537960 MSRWFTVHJKJBAW-AYVLWNQUSA-N 457.963 4.453 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1C[C@H]2C[C@H]1C[C@H]2NC(=O)OC(C)(C)C 1985350816 WOFAFDUIGJBKSC-VVLHAWIVSA-N 461.694 4.174 50 10 JIGE FC(F)Oc1c(CBr)ccc(I)c1I 2060287804 XEILMBMQBSSKQP-UHFFFAOYSA-N 488.835 4.392 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@H]2C[C@H](Cl)C[C@H]2C1 2128655291 RRIUQEZTFMHRAJ-JZYVYDRUSA-N 454.533 4.143 50 10 JIGE CC1(C)C(=O)Nc2ccc([C@H](Br)c3cc(I)sn3)cc21 2176539075 OXGZEKBVXWNHEZ-LBPRGKRZSA-N 463.138 4.462 50 10 JIGE C[C@@H]1CN(C(=O)c2ccc(Br)cc2Br)C[C@@H](CCBr)O1 2179375762 QRHIKHMYRDXXSV-MWLCHTKSSA-N 469.999 4.226 50 10 JIGE Cc1cc(CBr)ccc1S(=O)(=O)N1CC2(CC(OCc3ccccc3)C2)C1 2179790104 ZOIOPJXYIUBQIB-UHFFFAOYSA-N 450.398 4.260 50 10 JIGE O=S(=O)(c1cc(CBr)cs1)N1CC[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 2179820796 CBGDMRNUGDZXMH-OALUTQOASA-N 469.470 4.176 50 10 JIGE C[C@@H](Br)C[C@H]1COCCN1C(=O)c1cccc(Br)c1Br 2185313403 QQMCQSBIIJDQPM-ZJUUUORDSA-N 469.999 4.226 50 10 JIGE O=S(=O)(C[C@@H](Cl)c1ccc(Br)cc1I)N1CCCCC1 2207269299 PZNBULMIZQUBIV-GFCCVEGCSA-N 492.604 4.149 50 10 JIGE Cc1cc(S(=O)(=O)N2[C@H]3CCC[C@@H]2CN(Cc2ccccc2)C3)sc1CBr 2234685179 FBHDICNDINYDQI-HDICACEKSA-N 469.470 4.379 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1cc(F)c(Br)cc1F 2267206394 FOZZBKDDQYVFNV-UHFFFAOYSA-N 471.389 4.363 50 10 JIGE COc1ccccc1OCC(=O)NN=Cc1ccc(OC)c(OCc2ccccc2Cl)c1 2321706277 LYMNXXMLBHLNRI-UHFFFAOYSA-N 454.910 4.465 50 10 JIGE CCCCOc1ccc(C=NNC(=O)c2cc(-c3ccc(F)cc3)nc(O)n2)cc1OCC 2323701879 DHQXBSVEIJILRI-UHFFFAOYSA-N 452.486 4.330 50 10 JIGE N#CC(=CNCCc1ccc(F)cc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324608468 WEOUWRRIQQGSBJ-UHFFFAOYSA-N 468.576 4.299 50 10 JIGE N#CC(=CN1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 2325235302 QYCKPDDEGMYUNF-UHFFFAOYSA-N 467.529 4.348 50 10 JIGE CC[C@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc([C@H](C)CC)cc2)c1 10672180 UOYACHYIHXLURK-SJORKVTESA-N 457.596 4.092 50 10 JIGE CC(C)CCOc1ccccc1C(=O)NC(=S)NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1 14034520 NWSHYPFTAKIIJK-GOSISDBHSA-N 479.602 4.368 50 10 JIGE CCCCOc1cccc(C(=O)NNC(=O)COc2ccc(Br)cc2Cl)c1 14041653 HUFLXWSONVKXAX-UHFFFAOYSA-N 455.736 4.121 50 10 JIGE Cc1c(C(=O)NNC(C)(C)C)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 40813764 IBODFIGHICRIAN-BUVRLJJBSA-N 451.354 4.398 50 10 JIGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2ccc(C(C)(C)C)cc2)cc1 40990093 WFZODNZNKLNCEQ-DYTRJAOYSA-N 464.562 4.418 50 10 JIGE CCc1ccc(NC(=O)C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)cc1 48571940 FSRNFCRAINPUBT-OGLMXYFKSA-N 467.529 4.199 50 10 JIGE COc1ccc(C(=O)N/N=C2\C(=O)N(Cc3ccc(F)cc3)c3ccc(Br)cc32)cc1 59147429 IPZLZWSYKZVLMW-QLYXXIJNSA-N 482.309 4.278 50 10 JIGE CC(C)(C)c1ccc(OCCN2C(=O)/C(=N/NC(=O)c3ccccc3O)c3ccccc32)cc1 102769572 BPWRTBMROFOYMX-ZZIIXHQDSA-N 457.530 4.249 50 10 JIGE CCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)OC)cc2OC)cc1OC 103756954 JBKPHTAABAPLKD-SSZQZOOLSA-N 451.475 4.191 50 10 JIGE COc1ccc(C=NNC(=O)CSc2nnc(SCc3ccccc3)s2)c(OC)c1OC 263631500 QNIFGLWNAGVJJA-UHFFFAOYSA-N 490.632 4.099 50 10 JIGE C[C@@H]1C[C@H](CI)[C@H](I)[C@@H](C)N1C(=O)OC(C)(C)C 307741289 QDDMOKLJARGSHX-GWOFURMSSA-N 479.140 4.259 50 10 JIGE FC(F)(F)Oc1cc(Br)nc(CBr)c1I 396176125 AUZQDXAORBPNHS-UHFFFAOYSA-N 460.813 4.242 50 10 JIGE CCOC(=O)N1CCC(NC(=O)Nc2ccc(C(=O)Nc3ccc(SC#N)cc3)cc2)CC1 586618345 BKZFOWNSIMKMSG-UHFFFAOYSA-N 467.551 4.254 50 10 JIGE N#CCCn1cc(/C=C(/C#N)C(=O)N2CCC[C@H](c3cc[nH]n3)C2)c(-c2ccc(Cl)cc2)n1 726529069 HIRWADIYHUNYCS-UZNZLNSGSA-N 459.941 4.153 50 10 JIGE COC(=O)c1ccc(C)c(NC(=O)[C@H](C)OC(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)c1 855279651 BKWQZEVDHOMMLX-SNINMWPCSA-N 465.550 4.333 50 10 JIGE COc1cc(C=NNC(=O)/C(=C/c2ccccc2)NC(=O)c2ccccc2)cc(Br)c1O 1082990472 UKHPCRGSSIKDQD-GMDYWXLBSA-N 494.345 4.085 50 10 JIGE COc1ccc(C(C)=NNC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)cc1OC 1083969917 MAKMKMFJWVRGFT-UHFFFAOYSA-N 486.616 4.176 50 10 JIGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2cc(Cl)c(O)c(OC)c2)cc1 1865706895 IBXVHXBMRORCFP-MRXNPFEDSA-N 492.841 4.485 50 10 JIGE CCOc1cc(OCC)cc(C(=O)NNC(=O)c2ccc(-c3ccc(F)cc3F)nc2C)c1 1865759435 ACOIVMFLPAXFJE-UHFFFAOYSA-N 455.461 4.207 50 10 JIGE COc1cc2nc(/C(C#N)=C/c3cc(Br)cc(OC)c3OC)nc(O)c2cc1OC 1872727664 RCEBYRRKFHPUEY-LFYBBSHMSA-N 472.295 4.196 50 10 JIGE O=S(=O)(N[C@H](CCBr)COCc1ccccc1)c1cscc1Br 1902841038 KTSWNXBGDGKXHA-CYBMUJFWSA-N 483.247 4.159 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N[C@H](CCCl)C(F)F)cc1Br 1918549496 DRWJGFVJJIVHGK-SECBINFHSA-N 455.546 4.061 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CC=C(CBr)CC1 2051405399 OJJRGOVITAAFDO-UHFFFAOYSA-N 484.957 4.221 50 10 JIGE CCN(C[C@](C)(CI)OC1CC(n2ccnc2)C1)C(=O)OC(C)(C)C 2063779802 MDTCLFYPVFWJGJ-JMLCCBQJSA-N 463.360 4.054 50 10 JIGE C=CC[C@H](CBr)CNC(=O)c1cc(Br)ccc1I 2082054925 KDKCBTDUKFRUHX-SECBINFHSA-N 486.973 4.371 50 10 JIGE O=C(N[C@@H](CBr)c1ccsc1)c1cc(I)ccc1F 2119056709 NRDXWKANFTVVQX-LBPRGKRZSA-N 454.102 4.358 50 10 JIGE Cc1cc(S(=O)(=O)N2CCN(Cc3ccccc3)C[C@H](C)C2)sc1CBr 2123243421 JKQXLWFZMJFZCX-HNNXBMFYSA-N 457.459 4.094 50 10 JIGE Cc1sc(C)c(S(=O)(=O)N[C@](C)(CBr)C(F)(F)F)c1Br 2161376655 QRPVKWXDHOMDKW-SECBINFHSA-N 459.147 4.122 50 10 JIGE CC(C)(C)OC(=O)Nc1ccc([S@@](C)(=O)=NC(=O)N2CCC(Br)CC2)cc1 2162870908 GRCSDFXJLVCMDK-HHHXNRCGSA-N 460.394 4.470 50 10 JIGE CN(CC[C@@H](Br)c1ccccc1)C(=O)c1cc(I)sn1 2176534078 GQZDMZMLWUWMHI-LLVKDONJSA-N 465.154 4.346 50 10 JIGE C=CCN(CC(=C)Br)S(=O)(=O)c1ccc(CBr)cc1Br 2179860554 UEHMRSJYHYRBDZ-UHFFFAOYSA-N 488.039 4.429 50 10 JIGE Cc1cc(Br)ccc1S(=O)(=O)N[C@@H](C)CCCCCI 2206678299 BTBSLTVWTNXTDE-LBPRGKRZSA-N 474.202 4.420 50 10 JIGE CC(C=NNC(=O)c1ccc(Cn2cc(Br)c([N+](=O)[O-])n2)o1)=Cc1ccccc1 2295551681 XUWIIABDLLAHST-UHFFFAOYSA-N 458.272 4.014 50 10 JIGE C=CCNC(=O)C(C#N)=Cc1c(Oc2ccc(Cl)cc2Cl)nc2c(C)cccn2c1=O 2296720904 SIECKYKKLXZKPH-UHFFFAOYSA-N 455.301 4.311 50 10 JIGE O=C(Cc1cccc(Br)c1)N[C@@H](CCBr)COCc1ccccc1 2303548943 MSEIJRWUIPIFJP-SFHVURJKSA-N 455.190 4.478 50 10 JIGE O=C(N[C@H]1C[C@@H](CBr)[C@H]2C[C@@H]12)c1scc(Br)c1Br 2309226091 PPHNNCPUTCSBEU-SZACMFPPSA-N 458.013 4.422 50 10 JIGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2 2314610788 MHJQHDJMZHSNOT-UHFFFAOYSA-N 480.524 4.311 50 10 JIGE CCOCCCN1C(=O)C(=Cc2ccc(OCc3ccccc3F)c(OC)c2)C(C)=C(C#N)C1=O 2314618252 KENPYRXCKJRCJR-UHFFFAOYSA-N 478.520 4.432 50 10 JIGE C[C@H](CCCl)CCS(=O)(=O)c1cc(I)ccc1Br 2316470599 ZSLRJNISGMHCRI-SECBINFHSA-N 465.578 4.483 50 10 JIGE N#CC(=Cc1cccc(Br)c1)C(=O)N1CCN(CCc2c[nH]c3ccccc23)CC1 2324522071 LZYWRPZRYAXKGV-UHFFFAOYSA-N 463.379 4.224 50 10 JIGE O=C(c1cc(Br)ccc1I)N1[C@H]2CC[C@H](C2)[C@H]1CBr 2330985418 VWIXRNKKYGATKX-DFAYQTQMSA-N 498.984 4.442 50 10 JIGE CC(C)(C)OC(=O)N1C[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@@H]1C(=O)O 2333224431 OOPOXPCVFCABPQ-DENIHFKCSA-N 469.654 4.026 50 10 JIGE CCCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccccc1Cl 14033066 HQNZFILIFBUGFZ-UHFFFAOYSA-N 463.987 4.014 50 10 JIGE CC(C)COc1ccccc1C(=O)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 14034979 INQDWWFEXWOYNR-UHFFFAOYSA-N 452.338 4.208 50 10 JIGE O=C(CSc1nnc(CNc2ccccc2)n1-c1ccccc1)NNC(=O)c1ccc(Cl)cc1 20922841 VFJFIXMOSDSWBP-UHFFFAOYSA-N 492.992 4.086 50 10 JIGE COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C(/C#N)C(=O)NCc1ccccc1 35239790 CVRJIRKJAFVOTK-HKWRFOASSA-N 466.497 4.027 50 10 JIGE C[C@@H](NC(=O)/C(C#N)=C\c1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1)c1ccccc1 35519604 TYSUXXCATDSNFJ-MKYLKIGJSA-N 470.485 4.397 50 10 JIGE Nc1c(NNC(=O)c2ccc(Br)cc2)ncnc1Oc1ccc(Br)cc1 40784575 BXMFRBYCUNFTAO-UHFFFAOYSA-N 479.132 4.133 50 10 JIGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(Cl)cc2Cl)c(OC)c1 40841061 WEVGWWNORPCZSA-RIYZIHGNSA-N 450.274 4.456 50 10 JIGE C=C[C@@H]1OC(C)(C)O[C@@H]1[C@](O)(C=C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 195844125 MRMXJVYBAQQFMN-DPZBCOQUSA-N 452.667 4.186 50 10 JIGE COc1cc([N+](=O)[O-])ccc1N/C=C(/C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216492736 LESORCHYKGTISI-ATJXCDBQSA-N 497.555 4.357 50 10 JIGE CCOc1ccc(C(=O)NCC(=O)NN=Cc2ccc(OC(=O)c3cccc4ccccc34)cc2)cc1 254319767 OGULKMZTGINCSY-UHFFFAOYSA-N 495.535 4.338 50 10 JIGE CCCOc1ccc(C=NNC(=O)Nc2sc(C(C)=O)c(C)c2C(=O)OCC)cc1OC 256017631 XEQLSQFSKOEPHS-UHFFFAOYSA-N 461.540 4.389 50 10 JIGE C[C@H]1CN(Cc2ccccc2)CCCN1S(=O)(=O)c1ccc(CCl)cc1Br 382641216 CPLFMKKIYIIOPQ-INIZCTEOSA-N 471.848 4.473 50 10 JIGE Cc1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)cc1O 382680380 BVFYZAMXJHUODP-QZTJIDSGSA-N 451.304 4.488 50 10 JIGE CCO/C(O)=C(\C#N)[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)Nc1ccccc1)[n+]1ccccc1 585145751 CANNDDXDOICCNG-NMPLSFHDSA-O 459.482 4.176 50 10 JIGE O=S1(=O)CCC[C@H]1CC(CBr)(CBr)c1cccc(Br)c1 822171862 ORWGMYDBFPUNRB-ZDUSSCGKSA-N 489.067 4.444 50 10 JIGE COc1cc([C@@H](Br)c2cn(C)c(Br)n2)c(OC)cc1Br 829355020 UWYVOFBTJZLEFE-GFCCVEGCSA-N 468.971 4.447 50 10 JIGE COc1cc(C=NNC(=O)c2cc(C)n(-c3ccccc3)c2C)ccc1OC(=O)c1ccncc1 915906377 HBSZZYSJVYEMQC-UHFFFAOYSA-N 468.513 4.481 50 10 JIGE C#CCOc1c(Br)cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc1CC=C 1084115124 FEISUJDTHYMCBC-OAQYLSRUSA-N 455.352 4.154 50 10 JIGE CCOc1ccccc1NC(=O)C(=O)NN=Cc1ccc(OCc2ccccc2)c(OCC)c1 1084351671 HRRWHIFDBBXCQT-UHFFFAOYSA-N 461.518 4.152 50 10 JIGE C=C(C)[C@H](NC(=O)CCC(=O)C(C#N)=C1N(C)c2ccccc2N1C)c1ccc(F)c(F)c1 1296650346 ADFUBDNJFQIIAP-DEOSSOPVSA-N 450.489 4.369 50 10 JIGE CC(=O)c1ccc(Nc2ccccc2C(=O)NNC(=O)c2ccc(Br)cc2)cc1 1587065250 TYULHZDKVZBITH-UHFFFAOYSA-N 452.308 4.470 50 10 JIGE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NNC(=O)c1ccc(COc2ccc(Cl)c(C)c2)cc1 1686315031 DCDJOLIPADRQLV-DENIHFKCSA-N 457.958 4.153 50 10 JIGE O=C(NNc1ccc(Oc2ccccc2)cc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 1858081716 COTULQLOCGJCHB-UHFFFAOYSA-N 451.548 4.410 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(F)cc2)[C@@H]1c1ccc2c(c1)OCCO2 1865698358 QXEWLVVXTHYTEU-GOSISDBHSA-N 472.398 4.079 50 10 JIGE CC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(CCC(C)C)C2=O)C(=O)Nc1ccc(SC#N)cc1 1866619306 BMAZVYBJNRHDGC-NRFANRHFSA-N 478.574 4.049 50 10 JIGE COc1ccc(-c2csc(/C(C#N)=C(\O)CNC(=O)c3cc(OC)c(OC)c(OC)c3)n2)cc1 1872745862 HCDXIYLVZQESTQ-ZPHPHTNESA-N 481.530 4.067 50 10 JIGE C[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccccc1OCc1ccc(Br)cc1 1873794333 DUTUDXVAEDSTHN-MMTYYTLLSA-N 476.371 4.391 50 10 JIGE Brc1cc(I)cnc1N1C[C@H]2[C@H](Br)CC[C@H]2C1 2015764426 ARNWROMHMPTSEN-FXBDTBDDSA-N 471.962 4.058 50 10 JIGE O=C(c1cc(Br)cc(Br)c1)N1CC(F)(F)C[C@H]1CBr 2102788859 IZNZLELYBJYGJH-JTQLQIEISA-N 461.926 4.456 50 10 JIGE C[C@@H]1CCS[C@@H]1CN(C)S(=O)(=O)c1cc(CBr)sc1Br 2179784520 ADCNTQMBWQFQSF-PSASIEDQSA-N 463.282 4.168 50 10 JIGE O=S(=O)(c1ccc(CCCBr)cc1)N(Cc1ccccc1)C[C@@H]1CCCO1 2179853404 HJSXBPLMBSPLLO-FQEVSTJZSA-N 452.414 4.384 50 10 JIGE O=S(=O)(c1ccc(Br)c(CCl)c1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 2188884924 LFPQGXBKZLAKRN-OXJNMPFZSA-N 469.832 4.083 50 10 JIGE CCC[C@@H]1CN(C(=O)c2c(F)cccc2I)C[C@H]1CBr 2282805390 DVZCRMGAUMKTIF-GHMZBOCLSA-N 454.121 4.314 50 10 JIGE O=C(c1c(F)cccc1I)N1[C@H]2CCC[C@H]1CC(Br)C2 2282809874 QMUIXLUQCMTXDW-QWRGUYRKSA-N 452.105 4.351 50 10 JIGE O=C(c1cc(Br)c(Br)s1)N1C[C@H]2C[C@@H](CBr)[C@H]2C1 2309713108 PASNIFJXHPRTAM-XLPZGREQSA-N 458.013 4.376 50 10 JIGE CC[C@H](NC(=O)C(C#N)=CNc1cc(C(=O)OC)ccc1C(=O)OC)c1ccc2c(c1)CCCC2 2325092422 NQJPURPUDLFRJU-QHCPKHFHSA-N 475.545 4.225 50 10 JIGE C=CC[C@H](Br)[C@H]1CCN1C(=O)c1ccc(Cl)cc1I 2340062342 YPRUJECXHHTXOT-WCQYABFASA-N 454.533 4.499 50 10 JIGE CC[C@@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(OCCC(C)C)cc2)c1 10672365 UIDRTEAEMHIENR-QGZVFWFLSA-N 457.596 4.238 50 10 JIGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)/C=C/c2cccc3ccccc23)cc1 13983574 WLNDRKYPGHSIDM-IYICPGQYSA-N 461.587 4.467 50 10 JIGE CCCCOc1cccc(C(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c1 14041942 IMXKGLDVPNFFQC-ZDUSSCGKSA-N 484.405 4.275 50 10 JIGE COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cc(OC)c(OC)c(OC)c3)ccc21 38650010 AKHZAKRYHNWJEI-DEOSSOPVSA-N 488.496 4.158 50 10 JIGE COc1ccc(Cl)cc1Nc1ncnc(NNC(=O)c2ccccc2Br)c1[N+](=O)[O-] 40589722 WIVWEDLQGSOJRN-UHFFFAOYSA-N 493.705 4.310 50 10 JIGE CCOc1cc(/C=N/NC(=O)COc2cc(Cl)ccc2Cl)cc(Br)c1O 40911863 NRTNMSDNRPWSPZ-ODCIPOBUSA-N 462.127 4.389 50 10 JIGE O=C(CSc1nnc(CCc2ccccc2)n1-c1ccccc1)N/N=C/c1ccccc1F 58989309 VORKDQJDEFVSAR-WPWMEQJKSA-N 459.550 4.434 50 10 JIGE COc1cc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2C[C@]3(C)C[C@H]2CC3(C)C)cc(OC)c1OC 59488576 SWQARCBVKYUQQS-WKEHFKSFSA-N 496.564 4.399 50 10 JIGE COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NCC2(c3cccc(F)c3)CCOCC2)c1C 210335159 HANGGTDIOZYIAJ-MEGCXXLRSA-N 453.558 4.223 50 10 JIGE COCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc3c(c2)C[C@H](C)O3)C1=O 214284881 SFXRRWHFHFMWBT-XHFXOGKZSA-N 494.551 4.101 50 10 JIGE CC(C)(C)[Si](OC[C@@H]1[C@@H](O[C@@H]2CCCCO2)C[C@H]2OC(=O)C[C@H]21)(c1ccccc1)c1ccccc1 248159567 KKUBBAJCNWPXGW-NLMMERCGSA-N 494.704 4.426 50 10 JIGE CCOc1cc(C=NNC(=O)COc2ccc(C)c(C)c2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 254364847 SLVTYFUOTOVJKQ-UHFFFAOYSA-N 491.500 4.359 50 10 JIGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2cccc([N+](=O)[O-])c2)C1 382710031 XHTVAAZZMIXXSZ-SJLPKXTDSA-N 466.275 4.382 50 10 JIGE Cc1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)c(O)c1 382713079 IHZAXHFZCGIMEA-AEFFLSMTSA-N 451.304 4.488 50 10 JIGE C[C@@H]1CN(C(=O)c2ccc(I)c(Br)c2)CC[C@H]1Br 721606965 BPTDABPOSKORCD-PSASIEDQSA-N 486.973 4.299 50 10 JIGE CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@](C)(C(=O)OC)c2cccc(Br)c2)c1C 730990931 CPZMYKHCNFIADG-KELOHDTKSA-N 472.383 4.389 50 10 JIGE N#CCCn1cc(/C=C(/C#N)C(=O)OCC(=O)c2ccc(C#N)cc2)c(-c2ccc(Cl)cc2)n1 749478362 DWSCQCGUPCUXEA-NDENLUEZSA-N 469.888 4.322 50 10 JIGE C=CCN1CC[C@H](N(C)C(=O)/C(C#N)=C/c2cc(C)n(-c3cccc4ccccc34)c2C)C1=O 1524312200 CQAWKLKJCMUHFR-QAHUDSGCSA-N 452.558 4.400 50 10 JIGE COc1ccc(/C(C#N)=C/c2cccc(OC(=O)[C@H](C)N3C(=O)c4ccccc4C3=O)c2)cc1 1615066907 VYCXNZQENJSEKB-TYSUYXETSA-N 452.466 4.349 50 10 JIGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccn2)ccc1OCc1ccccc1 1865687135 KEMJEMPLGXSVCJ-VWLOTQADSA-N 465.513 4.382 50 10 JIGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccccc1C(=O)O)C(C#N)=C(N)O2 1865703819 GISFUESGBBRQNJ-LJQANCHMSA-N 452.873 4.203 50 10 JIGE CCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1cc(Cl)c(O)c(OC)c1)C(C#N)=C(N)O2 1865706744 DSFXCVGXTQSDRS-FQEVSTJZSA-N 450.926 4.388 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(F)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 1865712952 MTQZLAHNVDCTEP-INIZCTEOSA-N 459.359 4.216 50 10 JIGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(C)cc2)cc(OC)c1O 1865714708 OALZOGQUDVBLLO-KRWDZBQOSA-N 472.423 4.141 50 10 JIGE COc1ccc(/C=N/NC(=O)[C@H](C)NC(=O)OC(C)(C)C)cc1OCc1cccc(Cl)c1 1873793543 PCKGIWPYEZPPRF-SQAVSUBZSA-N 461.946 4.291 50 10 JIGE COCC1(CO[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2I)CCCCC1 1945637491 QOXOVYXGEWGPTR-CABCVRRESA-N 453.361 4.023 50 10 JIGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@H](CNC(=O)[C@H](Cl)c2ccccc2)C1 2084717125 JFGGLTAIYNLDMI-FGZHOGPDSA-N 458.002 4.204 50 10 JIGE Cn1nnc(Br)c1C[C@H](CBr)Cc1ccccc1Br 2089735035 RCXUOHBAEHGYGK-SECBINFHSA-N 451.988 4.136 50 10 JIGE Cn1nc([C@H](Cl)c2cc(I)cc3c2OCC3)cc1Br 2094083289 ZQGWRSJAUKIZQS-GFCCVEGCSA-N 453.505 4.050 50 10 JIGE BrC[C@@H]1C[C@@H]2OCC[C@@H]2N1Cc1c(Br)cccc1Br 2094089811 AIIINGYCOYPZNP-HERUPUMHSA-N 454.000 4.338 50 10 JIGE C[C@]12CN(C(=O)c3cc(Br)ccc3I)C[C@]1(CCl)C2 2109180928 CNUCASWLUGDQSA-UONOGXRCSA-N 454.533 4.145 50 10 JIGE BrCCN1CCC[C@@H](NCc2cc(Br)ccc2Br)C1 2118534443 JJDDFVZZTCCLNY-CYBMUJFWSA-N 455.032 4.161 50 10 JIGE Fc1cc(Br)cc(-n2cnc3c(I)ncnc32)c1CCl 2177723647 IOCCLIQUAZWCEL-UHFFFAOYSA-N 467.467 4.061 50 10 JIGE C[C@@H](CCC(F)F)N(C)S(=O)(=O)c1cc(CBr)sc1Br 2179793797 YXZCMRJLZMFJBU-ZETCQYMHSA-N 455.184 4.460 50 10 JIGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1nn(C)nc1Br 2226971702 GISTWNJWXGOYHA-MRVPVSSYSA-N 474.378 4.486 50 10 JIGE O=S1(=O)C[C@@H]2[C@H]([C@H](Br)c3c(F)cc(Br)c(F)c3Br)[C@@H]2C1 2288481947 BVYGRPWABJJWOU-DDAZSXFFSA-N 494.977 4.216 50 10 JIGE COc1ccc(NC(=O)C(C#N)=Cc2cc(Br)c(I)o2)cc1 2293500052 MDCXENGPNIVRAA-UHFFFAOYSA-N 473.064 4.201 50 10 JIGE COc1ccc(C=C(C#N)C(=O)Nc2nc(-c3ccccc3)cs2)cc1OCCN1CCOCC1 2295638697 ZOMCRNZZPOQMLC-UHFFFAOYSA-N 490.585 4.075 50 10 JIGE COc1ccc(CCN2C(=O)C(=CNc3cccc(Br)c3)C(C)=C(C#N)C2=O)cc1OC 2314585569 FYIPLJIJEYYHCT-UHFFFAOYSA-N 496.361 4.214 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N[C@H]1C[C@@H](CBr)[C@@H]2C[C@@H]12 2360166450 NKVIBSJFVSTMHP-WTDIUWLJSA-N 466.011 4.290 50 10 JIGE COc1ccccc1/C=N/NC(=O)COc1c(C)cc(Br)cc1Br 12483165 RQENSJUPURJVQN-AWQFTUOYSA-N 456.134 4.058 50 10 JIGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc([C@H](C)CC)cc2)cc1 14030205 WYVWDLNGFQUGOH-QGZVFWFLSA-N 457.596 4.094 50 10 JIGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCCC(C)C)cc2)cc1 14037299 JJRUVMRZOLSUDZ-GOSISDBHSA-N 471.623 4.340 50 10 JIGE Cc1ccc(NC(=O)CCC(=O)NNC(=O)c2ccc(OC(C)C)c(Br)c2)cc1C 14658849 IPANBOWECWDVPG-UHFFFAOYSA-N 476.371 4.033 50 10 JIGE Cc1ccc2nc(Nc3ncnc(NNC(=O)c4ccccc4Br)c3N)sc2c1 40783571 CHPZKFRHMITQDA-UHFFFAOYSA-N 470.356 4.240 50 10 JIGE COc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2F)CCC3)c(OC)c1 40812408 BTVQZPHYHVSVKV-TURZUDJPSA-N 465.481 4.467 50 10 JIGE COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(Cl)c(C)c1 40878014 QQDZZDWANCGPDW-WOJGMQOQSA-N 480.904 4.458 50 10 JIGE COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1c(C)cccc1C 40878883 NSWBYHRMIKGCKE-UDWIEESQSA-N 460.486 4.113 50 10 JIGE CCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)NC(C)C)cc2OC)cc1OC 40890465 YTGNYCBEJVHSIS-UKRUMFJESA-N 464.518 4.153 50 10 JIGE COc1ccc(C=NNC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1COc1ccc(F)cc1F 254840017 UIIAKBUSXYETMC-UHFFFAOYSA-N 455.417 4.153 50 10 JIGE C[C@@]12CN(Cc3ccccc3)C[C@H]1CN(S(=O)(=O)c1cc(CCl)sc1Br)C2 702082698 RJVJSLDPCZKDOO-KXBFYZLASA-N 489.888 4.392 50 10 JIGE Cc1cccc(C)c1NC(=O)CN(C)C(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1 914461632 BJQIIVIWNCPQDO-PXLXIMEGSA-N 466.545 4.085 50 10 JIGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(F)cc2)cc(Br)c1O 1865688506 UDHFWHAZTDFFBR-FQEVSTJZSA-N 499.340 4.464 50 10 JIGE CCCc1nn(CCC)c2c1[C@H](c1ccc(OCC(=O)N(CC)CC)c(OCC)c1)C(C#N)=C(N)O2 1865707377 VNHTVTFRJJJFJI-XMMPIXPASA-N 495.624 4.110 50 10 JIGE COc1cc(C(=O)NC/C(O)=C(\C#N)c2nc(-c3ccc(F)cc3F)cs2)cc(OC)c1OC 1872818032 KBTGIANHKJHEDY-SDXDJHTJSA-N 487.484 4.337 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)NC2([C@H](C)Br)CC2)cc1Br 1913497219 GEYFZCYNSIAFSP-QMMMGPOBSA-N 476.028 4.114 50 10 JIGE Cc1cccc(-n2nc(CBr)c(I)c2C(F)(F)F)c1O 2079257810 RYAPWLLMBRLQCY-UHFFFAOYSA-N 461.019 4.405 50 10 JIGE O=C(NC[C@H](CCl)C1CCC1)c1ccc(I)c(Br)c1 2089966706 VWXHFTMFCUUWJZ-NSHDSACASA-N 456.549 4.439 50 10 JIGE O=C(c1ccc(Br)cc1Br)N1CCC[C@@H](OCCBr)C1 2170212713 CAIZJYWEVUXJLP-LLVKDONJSA-N 469.999 4.228 50 10 JIGE Cc1cc(S(=O)(=O)N2C[C@@H](C)CN(Cc3ccccc3)C[C@@H]2C)sc1CBr 2179823569 LDURMOBUYDFLEM-RDJZCZTQSA-N 471.486 4.483 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2CCC[C@H]2[C@@H](C)Br)cc1Br 2193585016 RSDPCCOJMSAZEZ-SKDRFNHKSA-N 490.055 4.457 50 10 JIGE C[C@@H]1[C@@H](O[C@H](CI)c2ccc(Br)cc2)C2CCN1CC2 2198012569 QEZLOIKOQUIPRD-HFBAOOFYSA-N 450.158 4.425 50 10 JIGE CC(C)[S@](=O)(=NCCCCI)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2243589691 SOOADPUNAOBOJV-LFVRLGFBSA-N 458.406 4.087 50 10 JIGE CCN(C[C@](C)(CI)OC1(C2CCCC2)COC1)C(=O)OC(C)(C)C 2260142761 QDXRDAQLWCOQPN-SFHVURJKSA-N 467.388 4.413 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)NC[C@@H]1CC[C@H](Br)C1 2277931648 HUQNCSFQQWXRGM-KOLCDFICSA-N 454.000 4.434 50 10 JIGE O=C(NC[C@@H]1CC[C@H](CBr)CO1)c1cccc(Br)c1Br 2279404505 ZERFQUUXEMSOTN-ZJUUUORDSA-N 469.999 4.132 50 10 JIGE Cc1ncc2nc(CCl)n(-c3cc(Br)ccc3I)c2n1 2286619857 IYQPFBSSFMLEGA-UHFFFAOYSA-N 463.504 4.230 50 10 JIGE CCOC(O)=C(C#N)[C@H](c1ccc([N+](=O)[O-])cc1)[C@H](C(=O)Nc1ccccc1)[n+]1ccccc1 2313506001 CANNDDXDOICCNG-XZOQPEGZSA-O 459.482 4.176 50 10 JIGE COc1ccc(CCN2C(=O)C(=CNc3ccccc3C(F)(F)F)C(C)=C(C#N)C2=O)cc1OC 2314579634 YSOKETPZNXXSDS-UHFFFAOYSA-N 485.462 4.470 50 10 JIGE CCOc1cc(C=NNC(=O)[C@H](C)NC(=O)OC(C)(C)C)ccc1OCc1ccc(C)cc1 2328795075 GPPAAJWTUYQNBT-SFHVURJKSA-N 455.555 4.336 50 10 JIGE Cn1nc(Br)c(Br)c1[C@H](Br)c1ccc2c(c1)CCO2 2338862593 XRIFPIDAKDTDKJ-SNVBAGLBSA-N 450.956 4.364 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1C[C@H]2CC[C@H]1C[C@H]2Br 2340059034 UTDQDFYJCBMNIM-UBHAPETDSA-N 454.533 4.333 50 10 JIGE Cc1cc(Br)ccc1OCC(=O)NNC(=S)NC(=O)/C=C/c1cccc2ccccc12 12503551 YDNRDWYDRCQGBO-FMIVXFBMSA-N 498.402 4.025 50 10 JIGE Cc1cccc(OCC(=O)NNC(=O)COc2ccc(-c3ccccc3)cc2Br)c1C 14648970 YRHRTALERKYIOR-UHFFFAOYSA-N 483.362 4.338 50 10 JIGE COc1ccccc1NC(=O)/C(C#N)=C\c1c(Oc2ccc(F)cc2)nc2ccccn2c1=O 39858697 HEVJTGFMEMSJCW-PEZBUJJGSA-N 456.433 4.180 50 10 JIGE Cn1ccnc1Sc1ccc(/C=N/NC(=O)c2cccc(Br)c2)cc1[N+](=O)[O-] 59500676 LQZOKHZTCPICSO-SRZZPIQSSA-N 460.313 4.006 50 10 JIGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C\Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 209901453 FZNRQERXPMTREE-BOPFTXTBSA-N 456.380 4.318 50 10 JIGE C[C@H]1CCC[C@](CBr)(NC(=O)c2cc(I)ccc2O)C1 235628681 VPAJQNOBPKYJOZ-BONVTDFDSA-N 452.130 4.070 50 10 JIGE FC(F)c1c(I)cc(I)nc1CBr 238589338 GHNPVBFHYQGCQC-UHFFFAOYSA-N 473.824 4.123 50 10 JIGE O=C(NCCCCI)c1scc(Br)c1Br 705499313 HSENUPDPENCOGI-UHFFFAOYSA-N 466.964 4.218 50 10 JIGE CCn1c(NNC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C4CC4)c23)nc2ccccc2c1=O 727724785 MHZMYTLXBQWOGW-UHFFFAOYSA-N 484.491 4.393 50 10 JIGE CCN(CC(=O)Nc1c(F)cccc1F)C(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1 920820369 DFIFUEFBRCLUIV-XMHGGMMESA-N 488.498 4.136 50 10 JIGE C=C(C)[C@@H](CC(=O)NNC(=O)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1)OCC 1349592499 ANBHXWFGJQNCDG-HSZRJFAPSA-N 457.530 4.133 50 10 JIGE COc1cc([N+](=O)[O-])ccc1-c1ccc(C=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)o1 1565518900 OQNXIOKWIAUSBP-UHFFFAOYSA-N 457.258 4.146 50 10 JIGE Cc1ccc2c(c1)C(=NNC(=O)CCCCCNC(=O)c1ccccc1Cl)C(=O)N2C(C)C 1772720680 VSNRMLLFUSSOIN-UHFFFAOYSA-N 468.985 4.214 50 10 JIGE COc1ccc(C(=O)NN=C2CCCc3oc(C(=O)NC4CC(C)(C)NC(C)(C)C4)c(C)c32)cc1 1772746143 RKDFHXHCUIYKCO-UHFFFAOYSA-N 480.609 4.106 50 10 JIGE N#CSc1ccc(NC(=O)c2cccc(NC(=O)c3cncc(Br)c3)n2)cc1 1860564580 AGHGVZAWAUQVQA-UHFFFAOYSA-N 454.309 4.317 50 10 JIGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@@H](c2cc(C)ccc2O)C(C#N)=C(N)O3)cc1 1865687749 ZIBCWTJCDYJHGU-QFIPXVFZSA-N 451.486 4.175 50 10 JIGE COc1ccc(OCC(=O)NNC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)nc2C)cc1 1865758990 CSTVVCCEFBPOEF-UHFFFAOYSA-N 460.317 4.212 50 10 JIGE COc1ccccc1-c1csc(/C(C#N)=C(\O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)n1 1872746941 GROSNHGPFNVTLW-SDXDJHTJSA-N 476.470 4.206 50 10 JIGE Cc1cc(CBr)cc(S(=O)(=O)N(C)CCOCc2ccccc2)c1Br 2059286764 PDAOBBMKNWBFBC-UHFFFAOYSA-N 491.245 4.490 50 10 JIGE O=C(c1scc(Br)c1Br)N1[C@H](CBr)C[C@@H]2OCC[C@H]21 2090536097 XELYYGOLYOBNPP-ZQARSLAVSA-N 474.012 4.040 50 10 JIGE O=S(=O)(Nc1c(Cl)cc(Br)cc1Cl)N1CCC(Br)CC1 2162200700 BARGJKXKNMNAPI-UHFFFAOYSA-N 467.010 4.272 50 10 JIGE CC(C)(C)OC(=O)NC[C@@H]1CC[S@@](=O)(=NC(=O)[C@@H](Br)C2CCCC2)C1(C)C 2167033446 RKHKKPYBNJHPGG-LKLRLBKWSA-N 465.454 4.258 50 10 JIGE CN(C)CCCN(Cc1ccccc1)S(=O)(=O)c1ccc(CCCBr)cc1 2179863997 VBMQEAIVNOXPKK-UHFFFAOYSA-N 453.446 4.157 50 10 JIGE C[C@H](CCCCCI)NS(=O)(=O)Cc1ccsc1Br 2226096873 KTYDCZUFLUYUIV-SNVBAGLBSA-N 480.231 4.314 50 10 JIGE C[C@@]1(CNS(=O)(=O)c2cc(Br)ccc2Br)CCC[C@@H]1Br 2286874828 DRJNXWXJASRIKD-STQMWFEESA-N 490.055 4.444 50 10 JIGE COc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2cccc(OC)c2)cc1 2314533593 SDAGOUPJLJAHSF-UHFFFAOYSA-N 482.496 4.358 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1CC[C@H](Br)[C@H]2CC[C@@H]21 2340066902 WAOWXDBAWRLDCS-CDMKHQONSA-N 454.533 4.333 50 10 JIGE CCCCCN1C(=O)/C(=N/NC(=O)c2ccccc2NS(=O)(=O)c2cccs2)c2ccccc21 6144327 MOQHVCSLAJKQKR-YYDJUVGSSA-N 496.614 4.220 50 10 JIGE CC[C@@H](C)Oc1cccc(C(=O)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)c1 10661942 HTZRVBYQKCQIMT-CYBMUJFWSA-N 452.338 4.351 50 10 JIGE CCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2C)cc1 14654967 JWLVVKXWEBJDDQ-UHFFFAOYSA-N 496.361 4.483 50 10 JIGE O=C(CCc1ccccc1)NNC(=O)c1ccc(OCCc2ccccc2)c(Br)c1 14669653 WDRLEINHFSFNPD-UHFFFAOYSA-N 467.363 4.464 50 10 JIGE CC1(C)Cc2c(cnn2-c2ccccc2)C(=O)/C1=N\NC(=O)c1cccc(Br)c1 16693730 QGBHSGSWJFTBPG-LKUDQCMESA-N 451.324 4.186 50 10 JIGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3)ccc2[C@@H]1c1ccc([N+](=O)[O-])cc1 38654457 QSPGAKRZJKSWLO-QHCPKHFHSA-N 477.860 4.451 50 10 JIGE Cc1cc(Oc2ncnc(NNC(=O)c3ccc([N+](=O)[O-])cc3)c2[N+](=O)[O-])cc(C)c1Cl 40658133 GKDZOPVMQIYEPX-UHFFFAOYSA-N 458.818 4.112 50 10 JIGE COc1cc(/C=N/NC(=O)c2ccc(Br)cc2)ccc1OCc1ccc(C(=O)O)cc1 59146850 YSBQEGPZWZBASQ-DHRITJCHSA-N 483.318 4.499 50 10 JIGE CC(C)(C)NNC(=O)[C@@]12CC[C@@](C(Br)Br)([C@H]1Br)C2(C)C 100935220 RDGHVZOPKCFRNT-NFMODRRSSA-N 475.063 4.092 50 10 JIGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)N3CCCCC3)c(Oc3ccc(Br)cc3)nc12 102846877 TYQRAUOEEZCTFD-VKAVYKQESA-N 493.361 4.477 50 10 JIGE CCCCOC(=O)c1ccccc1NC(=O)/C(C#N)=C\N1CCN(c2cccc(C)c2C)CC1 217241055 KSQVOKOWGKVTCL-QOCHGBHMSA-N 460.578 4.429 50 10 JIGE COc1ccc(C=NNC(=O)c2cc(O)ccc2O)cc1OCc1ccc(Br)cc1 254406260 URTNRFOEHYBCDJ-UHFFFAOYSA-N 471.307 4.212 50 10 JIGE O=C(NN=Cc1c(Nc2cccc(C(F)(F)F)c2)nc2ccccn2c1=O)c1ccccc1 254415873 BUZVKDATMXPFHN-UHFFFAOYSA-N 451.408 4.221 50 10 JIGE COc1cc(C=NNC(=O)Cn2ccc(C(F)(F)F)n2)ccc1OCc1ccccc1Cl 254790256 BBSGYDYICGQJBE-UHFFFAOYSA-N 466.847 4.293 50 10 JIGE ClCc1cc(I)c(Br)cc1I 575685372 GNTIVUCCGSOJDR-UHFFFAOYSA-N 457.274 4.397 50 10 JIGE O=C(N[C@H]1CCC[C@H](Br)C1)c1ccc(I)c(Br)c1 721622712 SKHIUPDPUMFKBS-UWVGGRQHSA-N 486.973 4.490 50 10 JIGE COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)OC(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)c1 855279652 BKWQZEVDHOMMLX-VCYKRWNGSA-N 465.550 4.333 50 10 JIGE N#CCCn1cc(/C=C(/C#N)C(=O)Oc2ccc(N3CCCC3=O)cc2)c(-c2ccccc2)n1 917029549 DTRKOCNWQMJWRV-SILNSSARSA-N 451.486 4.103 50 10 JIGE O=C(NN=Cc1cc2c3c(c1O)CCCN3CCC2)c1cnn(-c2ccccc2)c1C(F)(F)F 1080201325 VCPBURXDMBDFQW-UHFFFAOYSA-N 469.467 4.059 50 10 JIGE COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c1C 1083957931 YQGVWHUETDTLGB-CJLVFECKSA-N 485.544 4.267 50 10 JIGE CCN(CC)c1c(C=NNC(=O)CSc2nc3ccccc3n2C)c(C)nn1-c1ccccc1 1084536532 AXIAHMRSCHOBJI-UHFFFAOYSA-N 475.622 4.156 50 10 JIGE Cc1c(C(=O)NCc2ccc3c(c2)OCO3)oc2c1C(=NNC(=O)c1ccc3ccccc3n1)CCC2 1772751130 IOPCHPPKSAOTIX-UHFFFAOYSA-N 496.523 4.265 50 10 JIGE CCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1cc(OC)c(OC)c(OC)c1)C(C#N)=C(N)O2 1865692721 OXUMGXJEYCZQKI-OAQYLSRUSA-N 480.952 4.391 50 10 JIGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)CCc2nc(O)c3ccccc3n2)cc1 1867263376 GGGKBVOIOIJVGE-HSZRJFAPSA-N 497.580 4.207 50 10 JIGE CN(C[C@H]1C[C@H](Br)C1)[C@H](CN)c1c(Br)cccc1Br 1887900328 CKCYRFBRBRAADP-GIPNMCIBSA-N 455.032 4.317 50 10 JIGE C[C@](CBr)(NC(=O)c1scc(Br)c1Br)C(F)F 1998351591 ASGYUUGVXYDEPQ-SECBINFHSA-N 455.944 4.422 50 10 JIGE BrCc1ccc(N2C[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)cc1Br 2036446892 ZCNFDAULCJENRF-UXHICEINSA-N 466.217 4.434 50 10 JIGE Cc1csc(CBr)c1S(=O)(=O)N1CC2(CC(OCc3ccccc3)C2)C1 2123243935 PZBVPEWKJYCMPT-UHFFFAOYSA-N 456.427 4.321 50 10 JIGE C[C@H]1CN(C(=O)c2ccc(Br)cc2I)CC[C@@H]1CCl 2142285258 NPOKFEGOUDLWAG-VHSXEESVSA-N 456.549 4.391 50 10 JIGE CCN1CCC[C@@H]([C@H](Br)c2ccc(Br)cc2Br)S1(=O)=O 2145757689 GEYNCBXHUQZLCE-QWHCGFSZSA-N 490.055 4.462 50 10 JIGE O=C(c1cc(I)ccc1F)N1CC2(CCC2)C[C@H]1CBr 2169665614 QAYFTPRBLYQMMP-NSHDSACASA-N 452.105 4.210 50 10 JIGE O=S(=O)(c1csc(CBr)c1)N1CC[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 2179825162 DKTIYOCYAZWKDW-ZWKOTPCHSA-N 469.470 4.176 50 10 JIGE CCc1ccc(CBr)cc1S(=O)(=O)N1CCN(Cc2ccccc2)[C@H](C)C1 2179858214 LNPPKNCPGJRRJC-QGZVFWFLSA-N 451.430 4.039 50 10 JIGE C[C@@H]1CN(S(=O)(=O)c2cc(F)c(Cl)c(CBr)c2)CCN1Cc1ccccc1 2179861298 FQGJEIPQHSESTL-CQSZACIVSA-N 475.811 4.269 50 10 JIGE COc1cc(Br)c(C(=O)N(C)C[C@H](Cl)COCc2ccccc2)cc1OC 2189042458 GYFLDAIAIIGPMZ-HNNXBMFYSA-N 456.764 4.363 50 10 JIGE COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1C=C(C#N)C(=O)Nc1ccc(F)cc1 2314533248 PUYLISUPPAQAKU-UHFFFAOYSA-N 470.460 4.489 50 10 JIGE COc1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)c1 2314617972 DXOOWEUEXCNJDP-DEOSSOPVSA-N 494.551 4.319 50 10 JIGE O=C(NC[C@H](Br)CC(F)(F)F)c1ccc(Cl)cc1I 2340052516 PNKRZDISPXIVKG-ZCFIWIBFSA-N 470.454 4.390 50 10 JIGE C[C@H]1CN(Cc2ccc(I)c(Br)c2)C[C@H](CCCl)O1 2349861025 JVRBIWQAROZMFC-JQWIXIFHSA-N 458.565 4.272 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1[C@H]2CC[C@H](C2)[C@H]1CBr 2355775891 QJAAFAOQDGIWNV-UBHAPETDSA-N 488.039 4.148 50 10 JIGE CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2Cl)C(=O)N/N=C/c2ccc(O)cc2)cc1 3658013 YUBKMNVYANIHLW-QNYONUPESA-N 462.937 4.033 50 10 JIGE CCCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2cccc(OCCC(C)C)c2)cc1 14644965 INEDWIMUAICZJH-UHFFFAOYSA-N 484.622 4.190 50 10 JIGE COc1cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2F)cc(OC)c1OC 38651999 YDPCQEBNZHVUEM-QHCPKHFHSA-N 476.460 4.289 50 10 JIGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(C)n(-c3cccc(C(=O)OC)c3)c2C)cc1 58893402 XSAAJBMVWWEYNA-PFQJNYNCSA-N 477.561 4.243 50 10 JIGE C=CCOc1c(I)cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc1OC 59484559 JQQNWNOYMZHEJB-LICLKQGHSA-N 474.298 4.088 50 10 JIGE CCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c([N+](=O)[O-])c2)C1=O 101332734 RGZGMCUIPOBKII-FYJGNVAPSA-N 497.511 4.458 50 10 JIGE COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NCc3ccc(C(=O)NC4CC4)cc3)c2C)cc1 108957170 YZKYCUOIINUOFG-HAHDFKILSA-N 468.557 4.218 50 10 JIGE COCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(C)c(F)c2)C1=O 214285205 NIEXAZZUNPDYQO-XKZIYDEJSA-N 470.504 4.226 50 10 JIGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3cccs3)n2-c2ccc(OC)cc2)cc1 254488792 MPBKGEPYRPSBCC-UHFFFAOYSA-N 479.587 4.255 50 10 JIGE CCOc1ccc(-n2c(SCC(=O)NN=C(C)c3ccncc3)nnc2-c2ccccc2)cc1 254506865 JYRCWDNAEXLENM-UHFFFAOYSA-N 472.574 4.361 50 10 JIGE CCOC(=O)C1CCN(C(=O)c2cccc(NC(=O)Nc3ccc(SC#N)cc3)c2)CC1 586716672 CXSPILROIIJKBP-UHFFFAOYSA-N 452.536 4.319 50 10 JIGE C[C@@H]1CCc2c(sc3nc(CCC(=O)NNC(=O)c4ccc(C(C)(C)C)cc4)nc(O)c23)C1 768568351 CZYGNGUIZAFTHW-CQSZACIVSA-N 466.607 4.213 50 10 JIGE CC(C)NC(=O)Nc1ccc(CNC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)cc1 918572974 FVOFYDKBTRFRHE-PXLXIMEGSA-N 481.560 4.217 50 10 JIGE N#CCCn1cc(/C=C(/C#N)C(=O)N2CCOc3ccccc3C2)c(-c2ccc(Cl)cc2)n1 918663110 FFGYJXDUGWRPOJ-ZHZULCJRSA-N 457.921 4.445 50 10 JIGE COc1cccc(C=NNC(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)c1 1083990549 FJNDQBQHUFCKEP-UHFFFAOYSA-N 452.308 4.474 50 10 JIGE O=C(CNc1cccc(N2CCCC2=O)c1)NN=C(/C=C\c1ccc([N+](=O)[O-])cc1)c1ccccc1 1084399835 JWVRGRGEHMOALR-YVHHCVSUSA-N 483.528 4.367 50 10 JIGE C/C(=N/NC(=O)CNC(=O)c1ccccc1Br)c1ccc(-c2ccccc2)cc1 1088750027 IKNJMCSUOBHWJV-QQXSKIMKSA-N 450.336 4.386 50 10 JIGE CCCOc1cccc(/C=N/NC(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)c1 1860772632 CKOSREVLHSIMSF-UVHMKAGCSA-N 460.559 4.373 50 10 JIGE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@H]2c1cc(Br)cc(OC)c1O 1865696759 QXVHTUHHGTYVHJ-QGZVFWFLSA-N 467.323 4.265 50 10 JIGE Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccc3c(c2)OCCO3)cc1 1865698557 XKDLTEBIPMGDAF-SFHVURJKSA-N 454.408 4.189 50 10 JIGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(C)cc2)c1OC 1865701029 KBNDVSWZWVMGOV-SFHVURJKSA-N 470.451 4.494 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(F)c2)[C@@H]1c1ccccc1[N+](=O)[O-] 1865709941 KQUXKKPBBAFNAS-MRXNPFEDSA-N 459.359 4.216 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)C1(C)C 1985350949 XYHLAQZZNOCSOR-HOTGVXAUSA-N 463.710 4.422 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C1(C)C 1985350950 XYHLAQZZNOCSOR-HZPDHXFCSA-N 463.710 4.422 50 10 JIGE CCS(=O)(=O)C[C@H](Br)c1sc(Br)c(C)c1Br 1988337164 DKWVLGYAQOVDRV-LURJTMIESA-N 455.031 4.452 50 10 JIGE BrCc1ccc(Br)cc1N1C[C@H]2[C@@H](C1)OCCN2Cc1ccccc1 2036445254 KKUYJBLIWSMDNH-VQTJNVASSA-N 466.217 4.434 50 10 JIGE O=C(CBr)c1c(Br)ccc(I)c1Br 2054855746 WRNHLNVDEYZSTM-UHFFFAOYSA-N 482.735 4.394 50 10 JIGE CC[C@H](C)[C@@H](CI)NC(=O)c1ccc(F)cc1I 2081235433 GBNODZPPKIVJTM-QPUJVOFHSA-N 475.083 4.010 50 10 JIGE O=S(=O)(c1cc(CBr)c(Cl)cc1Cl)N1CCN(Cc2ccccc2)CC1 2123253163 YJAAXARVAMULDN-UHFFFAOYSA-N 478.239 4.395 50 10 JIGE O=C(N[C@@H]1C[C@H](CBr)[C@@H]2C[C@@H]12)c1ccc(Br)cc1I 2142285250 NOSCAKRKTCKVCK-DRBGRCKSSA-N 498.984 4.203 50 10 JIGE O=S(=O)(C[C@@H](Cl)c1cc(Br)ccc1I)N1CCCCC1 2145643612 YCGVIHYONBLKHK-GFCCVEGCSA-N 492.604 4.149 50 10 JIGE C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)N(S(=O)(=O)C2CCC(CBr)CC2)C1 2179834598 KRZOQLIHENBGQT-NQAMIAIDSA-N 457.478 4.112 50 10 JIGE CN([C@@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@@H]21)S(=O)(=O)c1ccc(CBr)o1 2190546539 HJFJPXSJJNFSSK-WZGPROSRSA-N 454.386 4.179 50 10 JIGE IC[C@@H](OCCOCCOCCOCc1ccccc1)c1ccccc1 2227780051 PJKPHALJJXKEGE-OAQYLSRUSA-N 470.347 4.429 50 10 JIGE CN1CC[C@](C)(CO[C@](C)(CI)c2ccccc2Br)C1 2296402780 AXNXDDCCBPALCX-JKSUJKDBSA-N 452.174 4.458 50 10 JIGE CCCCc1ccc(C[C@@H]2SC(=C(C#N)C(=O)N3CCOCC3)N(c3ccccc3)C2=O)cc1 2297463161 FHSIAKZGRVIHSA-DEOSSOPVSA-N 475.614 4.314 50 10 JIGE CC(C)(CI)CN1CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1C(F)(F)F 2306819170 REXISPCMGMSHSK-VXGBXAGGSA-N 464.310 4.368 50 10 JIGE CCOC(=O)C(C#N)=Cc1cccc(OC(=O)COc2ccc(Br)cc2CC)c1 2314770766 YWEGSQMEWXQOAD-UHFFFAOYSA-N 458.308 4.466 50 10 JIGE CCCOc1ccc(C=CC(=O)NNC(=O)c2ccc(-c3ccc(OC)c(OC)c3)nc2C)cc1 2321173308 XODRGDDPABMBBV-UHFFFAOYSA-N 475.545 4.337 50 10 JIGE COc1ccc(NC(=O)C(C#N)=CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 2324474321 IAQUSMDQFKGJJQ-UHFFFAOYSA-N 452.558 4.448 50 10 JIGE CC1(C)C[C@](C)(CBr)CN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364201486 GXFYVRQUHOYCSD-JOCHJYFZSA-N 499.471 4.058 50 10 JIGE CCc1ccc(OCC(=O)NNC(=O)COc2ccc(C(C)(C)CC)cc2)c(Br)c1 8905747 BZHMMDNHNMNXDG-UHFFFAOYSA-N 477.399 4.304 50 10 JIGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)/C(C#N)=C\c1ccccc1OC 33777025 ONMJZFNJNNVBRH-ZUWWQWPISA-N 497.507 4.423 50 10 JIGE COc1ccc(NC(=O)COc2ccc(/C=C(/C#N)c3nc(O)c4ccccc4n3)cc2)cc1 34988285 BZKDNMHVNFPCCF-JXAWBTAJSA-N 452.470 4.426 50 10 JIGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc([N+](=O)[O-])cc3)ccc2[C@@H]1c1ccc(Cl)cc1 38651352 LBMFSZWMFQVANV-QHCPKHFHSA-N 477.860 4.451 50 10 JIGE Cc1cc(C)cc(OCC(=O)N/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c1 59152346 PSZHKTHMXGXUTG-ZMOGYAJESA-N 464.434 4.441 50 10 JIGE O=C(Oc1ccc(/C=N/NC(=O)c2nn(-c3ccccc3)c3c2CCC3)cc1)c1ccccc1 169927716 SNVYRZWQJRJDAP-MTDXEUNCSA-N 450.498 4.344 50 10 JIGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc(OC)c(OC)c3)cc2OCC)cc1 254408952 SCJPJVGEMOUKKD-UHFFFAOYSA-N 492.528 4.484 50 10 JIGE N#C/C(=C/c1ccc2c(c1)OCO2)C(=O)N=C1c2ccccc2CN1c1cccc([N+](=O)[O-])c1 254632870 SVKPQZITSXAYOU-SHQLFGMNSA-N 452.426 4.224 50 10 JIGE CCOc1cccc(C=NNC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C)cc2)c1O 254870862 IFQURRDXSFMNEU-UHFFFAOYSA-N 488.569 4.041 50 10 JIGE COc1ccc([C@H](Br)c2cnn(C)c2I)c(Br)c1 386263742 VRAMNRHXYNUCTD-NSHDSACASA-N 485.945 4.280 50 10 JIGE C[C@@H]1CN(S(=O)(=O)c2ccc(CBr)cc2)[C@H](C)[C@@H](C)N1Cc1ccccc1 404260953 DJOXXVKNPOPCJB-KZNAEPCWSA-N 451.430 4.254 50 10 JIGE COc1cc(/C=C\C(=O)NN)cc(I)c1OCc1cccc2ccccc12 725421127 SSIIPCIAPGZUCW-KTKRTIGZSA-N 474.298 4.035 50 10 JIGE CN(CCCOc1ccc(F)cc1)C(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1 915200414 FBADCSPUZXNTOM-HEHNFIMWSA-N 457.509 4.437 50 10 JIGE C=CCc1cc(C=NNC(=O)CN2CCOCC2)ccc1OCc1ccc(Cl)c(Cl)c1 1083927117 BYVMUNYZSLEGTC-UHFFFAOYSA-N 462.377 4.083 50 10 JIGE Cc1ccc(N(CC(=O)NN=Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1C 1084301082 SYAGHXCSQHJXCK-UHFFFAOYSA-N 455.967 4.302 50 10 JIGE COc1cc([N+](=O)[O-])ccc1-n1nc(C)c(C=NNC(=O)CSCc2ccc(Cl)cc2)c1C 1084525412 QYCZBIVSRJGSCC-UHFFFAOYSA-N 487.969 4.443 50 10 JIGE C=CCn1c(SCC(=O)NNC(=O)c2cc(C)oc2C)nnc1-c1ccc(Cl)cc1Cl 1115813577 JKTPKFPMPUIAMN-UHFFFAOYSA-N 480.377 4.201 50 10 JIGE Cc1c(C(=O)N(C)c2ccccc2)oc2c1C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772746567 DGSGDVJUPXOGCP-UHFFFAOYSA-N 460.490 4.172 50 10 JIGE O=C(c1cc(Br)cc(Br)c1)N1C[C@H]2CC[C@]2(CBr)C1 1903985004 UOXZPSUKCSKOGC-YGRLFVJLSA-N 451.984 4.459 50 10 JIGE CN(Cc1nn(C)c(Cl)c1Br)C[C@@H](Br)COCc1ccccc1 1916349505 VHDJWEYGSGUGFL-CYBMUJFWSA-N 465.617 4.248 50 10 JIGE CC[C@H](Br)C(=O)NCCCONC(=O)OCC1c2ccccc2-c2ccccc21 1953564147 KCBIIUOUNVPMDP-FQEVSTJZSA-N 461.356 4.137 50 10 JIGE BrCc1cc(Br)ccc1N1C[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2036445431 LHXSVSCTNMNTLE-WOJBJXKFSA-N 466.217 4.434 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H]2CC[C@@H](Cl)[C@H]2C1 2087933024 PRWFLJDAPUMHPO-JBLDHEPKSA-N 454.533 4.143 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1CCC(F)(CBr)CC1 2101313360 XNAAGBDFVPRQIK-UHFFFAOYSA-N 460.512 4.284 50 10 JIGE O=C(NCC1(F)CCC(CBr)CC1)c1ccccc1I 2178580609 FAGMFTGRLANTIU-UHFFFAOYSA-N 454.121 4.314 50 10 JIGE CN([C@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(F)c(CBr)c1 2179789551 SAYJHYRHROCOKT-SFHVURJKSA-N 455.393 4.006 50 10 JIGE C[C@@H]1CN(Cc2ccccc2)CCN(S(=O)(=O)c2ccc(Cl)c(CBr)c2)C1 2179793588 WNGQESPQYCHZFC-MRXNPFEDSA-N 471.848 4.378 50 10 JIGE O=S(=O)(c1ccsc1CBr)N1CCC[C@@H]1[C@H]1CCN(Cc2ccccc2)C1 2179868838 PMJYKSUTRRATBA-ZWKOTPCHSA-N 469.470 4.318 50 10 JIGE CN(C[C@H]1C[C@@H](Br)C1)C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@]1(C)C(F)(F)F 2196914186 KVYYTASAOHQLQH-PFHKOEEOSA-N 457.331 4.054 50 10 JIGE O=C(c1sccc1I)N1CC[C@@H]2[C@H](Br)CCC[C@H]2C1 2225380054 HRLJBNYBGADAQZ-GARJFASQSA-N 454.171 4.378 50 10 JIGE COc1ccc([C@H](Cl)c2c(C)nn(C)c2Br)cc1I 2269550506 IKYQJYOZVPWOOK-LBPRGKRZSA-N 455.521 4.432 50 10 JIGE C[C@H]1CN(C(=O)C(C#N)=C2N=C(NC(=O)c3ccc(C(C)(C)C)cc3)c3ccccc32)C[C@@H](C)O1 2296532719 OQLTXKHFUZXREN-HDICACEKSA-N 470.573 4.045 50 10 JIGE CN(C)c1ccc([C@@H](NC(=O)C(C#N)=Cc2cccc(Br)c2)c2nccn2C)cc1 2329694516 CVUNQYZPTVXXAF-OAQYLSRUSA-N 464.367 4.061 50 10 JIGE COc1cc(C(O)=C(C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)c([N+](=O)[O-])cc1OC 2331334893 SJKOVNWBHYDCDI-UHFFFAOYSA-N 453.432 4.414 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@H]2C[C@H](CBr)[C@H]2C1 2333351333 XKOZHQSUWXTZNC-KBVBSXBZSA-N 498.984 4.157 50 10 JIGE CC(C)(C)OC(=O)NCC[S@@](=O)(=NC[C@@]1(CBr)CC1(F)F)c1ccccc1 2379985781 VKXYBFMEGHFNID-SOKVYYICSA-N 467.376 4.459 50 10 JIGE N#C/C(C(=S)Nc1ccccc1)=C(\N)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 1392151 CRRWVTQXZLUOES-ICFOKQHNSA-N 466.920 4.009 50 10 JIGE COc1cccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccc([N+](=O)[O-])c4)c32)c1OC(=O)c1ccco1 20274577 OKGQQTICRZOPKD-IBGZPJMESA-N 499.439 4.024 50 10 JIGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc([N+](=O)[O-])cc2)c1 38654907 YDBFTZOUMRBFBU-HSZRJFAPSA-N 457.442 4.431 50 10 JIGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)c1 38688734 PXQSCZWFZYIFNO-RUZDIDTESA-N 496.475 4.248 50 10 JIGE COc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cncc(Br)c2)CCC3)cc1 40823096 WJNBAEOCCRMBIA-OVVQPSECSA-N 497.349 4.477 50 10 JIGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cc(C)n(-c3ccccc3C(=O)O)c2C)cc1 58894379 CYLNEFIKJTZOBD-UJBXUPAJSA-N 463.534 4.155 50 10 JIGE Cc1ccc(C)c(OCCCC(C)(C)C(=O)NNC(=O)COc2ccc(Br)cc2)c1 66201435 XJTAUGCGYAJHBI-UHFFFAOYSA-N 477.399 4.478 50 10 JIGE N#C/C(=C/c1ccccc1)C(=O)Oc1ccc2cc(C(=O)NCc3ccccc3)c(=O)oc2c1 206523104 RJJSGDSOEMOOMS-BKUYFWCQSA-N 450.450 4.236 50 10 JIGE CCOc1cc(C=NNC(=O)c2ccccc2O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 254414628 MHNSTKBZFBFXBE-UHFFFAOYSA-N 466.406 4.164 50 10 JIGE CCCOc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2ccc3c(c2)OCO3)cc1 254482298 MJJFSVPDSFRKMP-BKIHKVNJSA-N 471.513 4.125 50 10 JIGE O=C(c1cc(Br)sc1Br)N1CCS[C@H](CBr)C1 720016523 SPJALBFLZRRZLC-ZCFIWIBFSA-N 464.042 4.226 50 10 JIGE CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1cccc(OC(F)F)c1 728609691 PDSAJYZHEIPLAC-KRWDZBQOSA-N 488.318 4.201 50 10 JIGE Cc1cc(C)n(-c2ccc(NC(=O)/C(C#N)=C\c3cn(CCC#N)nc3-c3ccccc3)cn2)n1 915195728 CZOAVQZJMKGZMS-STZFKDTASA-N 462.517 4.207 50 10 JIGE CC(C)NC(=O)Nc1ccc(CNC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)cc1 918572972 FVOFYDKBTRFRHE-JCMHNJIXSA-N 481.560 4.217 50 10 JIGE N#CCCn1cc(/C=C(/C#N)C(=O)NCC(=O)N2CCCc3ccccc32)c(-c2ccc(Cl)cc2)n1 919993892 GPKWBBGWUSOOFM-QNGOZBTKSA-N 498.974 4.120 50 10 JIGE CCOc1ccc(C(C)=NNC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)cc1 1084190397 ZZXVOOCGEYABER-UHFFFAOYSA-N 485.993 4.474 50 10 JIGE Cc1c(C(=O)N2CCCC2)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772749461 LVQHUAHLZHEIGV-UHFFFAOYSA-N 464.349 4.366 50 10 JIGE Cc1ccc(-c2csc3ncn(CC(=O)N/N=C/c4ccc(Br)cc4F)c(=O)c23)cc1 1860772661 FFHOUDXBWBGTIF-JQAMDZJQSA-N 499.365 4.485 50 10 JIGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@@H](c2cc(OC)ccc2OC)C(C#N)=C(N)O3)cc1 1865692287 KWORHKIOKAABTP-QHCPKHFHSA-N 481.512 4.178 50 10 JIGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CC(C)C)cc1 1865708516 ALZXVZHPICXAIL-NRFANRHFSA-N 458.518 4.219 50 10 JIGE CC(C)(C)OC(=O)N[C@H](CBr)[C@H]1C[C@H]2CC[C@@H]([C@@H]1F)N2C(=O)OC(C)(C)C 1883028259 HRXZEXCUHWYKBI-ARILJUKYSA-N 451.377 4.401 50 10 JIGE CC[C@@H](Br)CN(Cc1ccccc1)Cc1ncc(I)cn1 1893722402 LHYXWIRKGMDMST-CQSZACIVSA-N 460.157 4.257 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CCCN(C(=O)OC(C)(C)C)C12CC2 1988952992 KZHKVDXKNTTWMW-INIZCTEOSA-N 461.694 4.414 50 10 JIGE O=C(N[C@@H]1CC[C@@H](Br)C1)c1cc(I)ccc1Br 2008594130 LXUWMNTZOCZFGT-VXNVDRBHSA-N 472.946 4.100 50 10 JIGE CN(CC1CC(Br)C1)C(=O)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2020199373 DJKGIVJOEPWUTB-IMQCZEGASA-N 495.458 4.462 50 10 JIGE O=C(Cl)c1c(I)cc(I)cc1C(F)(F)F 2060046939 BKOLHNQUTHDZLC-UHFFFAOYSA-N 460.358 4.294 50 10 JIGE Brc1cccc(CN2CC[C@]3(C[C@@H](Br)CO3)C2)c1Br 2137148581 NOTHAKLQTFDSHF-RISCZKNCSA-N 454.000 4.340 50 10 JIGE CC(C)(C)OC(=O)N1CCCC[C@@]1(C)CNS(=O)(=O)c1ccc(CBr)cc1 2162591199 IRZYMZPFYDELCP-IBGZPJMESA-N 461.422 4.040 50 10 JIGE CC(C)(C)OC(=O)N1CCN(CC2(CBr)CCOCC2)C[C@H]1CC(F)(F)F 2176100725 CXASHFRGQLYHRH-CQSZACIVSA-N 459.347 4.052 50 10 JIGE C[C@]12CN(Cc3ccccc3)C[C@]1(C)CN(S(=O)(=O)c1ccc(CBr)s1)C2 2179818946 GCOHBUDEQZIJKH-WOJBJXKFSA-N 469.470 4.176 50 10 JIGE O=S(=O)(c1ccc(CCCBr)cc1)N1CCC[C@@H](OCc2ccccc2)C1 2186382365 UQJIOBDYOVMJOM-HXUWFJFHSA-N 452.414 4.384 50 10 JIGE C[C@](CI)(O[C@H]1CN2CCC1CC2)c1ccccc1Br 2198015643 ZKZRRJDSEMUMFJ-JKSUJKDBSA-N 450.158 4.210 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@H](Cl)CCC12CC2 2227496204 QIUQOMULHHXTQU-SNVBAGLBSA-N 454.533 4.430 50 10 JIGE CCN1CCC[C@@H]([C@H](Br)c2ccc(Cl)c(I)c2)S1(=O)=O 2283565349 CGMIFEOTXLHIKO-QWHCGFSZSA-N 492.604 4.195 50 10 JIGE CO[C@@H]1[C@@H](Br)C[C@H]1OCc1ccc(I)c(Br)c1 2306297502 QETPUVGJALWMEC-MVWJERBFSA-N 475.946 4.121 50 10 JIGE CCCCOc1ccc(C=C(C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1 2314734512 BZMBGVGKEZXAIZ-UHFFFAOYSA-N 477.546 4.002 50 10 JIGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)c2ccccc2CCc2ccccc2)cc1 2314776892 ZYIBLWHMFWSJHO-UHFFFAOYSA-N 454.526 4.361 50 10 JIGE COc1cc(C=NNC(=O)c2cccc(N)c2)ccc1OCc1ccc(Br)cc1 2323211541 OHYMZRDDTMXRDP-UHFFFAOYSA-N 454.324 4.383 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1C[C@H]2[C@H](Br)CC[C@H]2C1 2340055542 FUPXMNVNJJGOKC-XXILOJSOSA-N 454.533 4.190 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N1CC[C@@H]2[C@H](C1)[C@@H]2CBr 2360163430 AJCIPNISIOEMMW-MJBXVCDLSA-N 466.011 4.244 50 10 JIGE CC[C@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)COc2cc(C)ccc2C(C)C)cc1 10295748 WDHAUQZBZMKUNN-KRWDZBQOSA-N 457.596 4.010 50 10 JIGE O=C(COc1ccc(Cl)cc1Br)NNC(=O)C(c1ccccc1)c1ccccc1 13979593 NKIWNRSJVFAHQE-UHFFFAOYSA-N 473.754 4.461 50 10 JIGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc32)c1OC 38658794 KHEIRPWIRIISSR-JOCHJYFZSA-N 473.441 4.049 50 10 JIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(F)cc4)ccc32)cc(OC)c1OC 38660465 GQBNDZKPMARWOY-QHCPKHFHSA-N 476.460 4.289 50 10 JIGE O=C(O)CCC(=O)N/N=C/c1nc(-c2ccccc2Cl)c2cc(Br)ccc2n1 39899586 FGLLBAQEVFAJAV-LSHDLFTRSA-N 461.703 4.028 50 10 JIGE COc1cc(/C=N/NC(=O)c2ccc3[nH]c(-c4ccccc4Cl)nc3c2)cc(OC)c1O 169926631 RZSQOQZHFPOGGQ-BRJLIKDPSA-N 450.882 4.370 50 10 JIGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc(OC)cc3)cc2OC)cc1 254313514 UKICDEXMBMZLCS-UHFFFAOYSA-N 492.528 4.241 50 10 JIGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)N1CCCC1)[C@H]2Br 256022830 SJUJLTNZFYWCRD-HERUPUMHSA-N 458.032 4.295 50 10 JIGE COc1ccc(O)c([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)c1 382679551 AXHDHLHLMJRRGT-QAPCUYQASA-N 467.303 4.188 50 10 JIGE C[C@@H]1[C@@H](Br)CCCN1C(=O)c1cc(Br)ccc1I 384227198 FOJWUCFUKWQGRG-KCJUWKMLSA-N 486.973 4.442 50 10 JIGE CC(=O)[C@@H](Br)[C@H](C)c1cc(I)cc(I)c1 709822337 YQQQWWPYHYXOIL-KBUNVGBDSA-N 492.920 4.352 50 10 JIGE CN(CCCCBr)C(=O)c1ccc(I)c(Br)c1 721580183 UJFPGVQLXPJDDW-UHFFFAOYSA-N 474.962 4.301 50 10 JIGE CC(=NNC(=O)c1cc(Br)cn1C)c1cc(Br)cc(Br)c1O 767309892 DOQWLACHISZPMI-UHFFFAOYSA-N 493.981 4.172 50 10 JIGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cccs2)c2ccc(Cl)cc2C)cc1 1083973321 LQOHDCJJNJYXGO-UHFFFAOYSA-N 461.996 4.364 50 10 JIGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2ccccc2Cl)cc1)Nc1ccccc1Cl 1084059047 HLIIHGVHWLRANP-UHFFFAOYSA-N 485.327 4.100 50 10 JIGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCC#N)c(OCC)c2)cc1 1084239625 PEDWRFUSDWHZIY-FQEVSTJZSA-N 459.930 4.004 50 10 JIGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 1084300285 KGLFGPADCRRTBN-FQEVSTJZSA-N 494.460 4.268 50 10 JIGE COc1ccc(C[C@H](NC(=O)NNC(=O)c2ccc(Br)cc2)c2ccccc2)cc1OC 1115969371 UMRVIVQNRFZHQE-FQEVSTJZSA-N 498.377 4.394 50 10 JIGE COc1ccccc1C(=O)NN=Cc1sc(=O)n(Cc2ccc(Br)cc2)c1Cl 1772719866 HADDXELWAKVKQG-UHFFFAOYSA-N 480.771 4.147 50 10 JIGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2C[C@@H]2c2ccccc2)cc1 1867051027 VQBLMPBYNIWPOL-SGNDLWITSA-N 457.555 4.435 50 10 JIGE O=C(c1cccc(Br)c1Br)N1C[C@@H]2CC[C@]2(CBr)C1 1903936120 ZLDILESPXKPHOA-XPTSAGLGSA-N 451.984 4.459 50 10 JIGE Cc1c(Br)cc(CCl)cc1S(=O)(=O)N(Cc1ccccc1)[C@H]1CCOC1 1915470123 HJOMGZVXSOQCKL-KRWDZBQOSA-N 458.805 4.476 50 10 JIGE C[C@H]1[C@H](Br)CCCN1c1ncc(I)cc1Br 1988531027 NSODQYRYAJJMBB-IONNQARKSA-N 459.951 4.201 50 10 JIGE C[C@@H](CCCCCI)NC(=O)c1ccc(I)cc1 2054160270 BKLKHLIQDMHRJA-NSHDSACASA-N 471.120 4.405 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1C[C@@H]2CC[C@H](Br)[C@H]2C1 2087938351 WSHVWXNSUHIWEK-UWJYBYFXSA-N 454.533 4.190 50 10 JIGE O=C(N[C@@H]1C[C@H]2C[C@H]1C[C@@H]2Br)c1ccc(I)c(Br)c1 2104399628 CTPNYZPIEIDLSQ-KEPMVKOISA-N 498.984 4.346 50 10 JIGE Cc1c(Br)ccc([C@H](Br)C2[C@H]3CS(=O)(=O)C[C@H]23)c1Br 2138876540 QKFLFRFXUNCAOI-RVBZMBCESA-N 473.024 4.247 50 10 JIGE CC(C)n1cc(S(=O)(=O)N2CCC[C@H](OCc3ccccc3)C2)cc1CBr 2186381008 MLRSWWPHSNRPKW-IBGZPJMESA-N 455.418 4.334 50 10 JIGE CC[C@@H]1CN(S(=O)(=O)c2cc(Br)ccc2Br)C[C@@H]1CBr 2205682598 KJIUREREZVRWAZ-ZJUUUORDSA-N 490.055 4.253 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)NC[C@@H]1CCC[C@@H]1Br 2277930790 FNJKDJIVQOPEGC-GWCFXTLKSA-N 454.000 4.434 50 10 JIGE O=C(NC[C@H]1CC[C@@H](CBr)CO1)c1cc(Br)ccc1Br 2279407532 LZUXQEPECSUFSQ-GXSJLCMTSA-N 469.999 4.132 50 10 JIGE C[C@@H](Cl)c1nc2cccc(Br)c2n1-c1cnn(C)c1I 2280059064 XNJQUBJFSYTLFX-SSDOTTSWSA-N 465.520 4.426 50 10 JIGE CC(C)(C)OC(=O)N[C@H]1CCN(CC2(CBr)CCOCC2)[C@@H](C(F)(F)F)C1 2281046343 ATTJDFPUAOAYHU-UONOGXRCSA-N 459.347 4.098 50 10 JIGE O=C(c1c(F)cccc1I)N1CCC([C@H](F)CBr)CC1 2282795842 YKTKSDOGUYXSJZ-LLVKDONJSA-N 458.084 4.016 50 10 JIGE CC(CC(=O)Nc1cccc(Cl)c1)=NNC(=O)COc1ccc(Br)c(C)c1 2297710321 BPGRILCGSZMTNK-UHFFFAOYSA-N 452.736 4.311 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(O[C@H]2CC[C@@H]3[C@H]2C3(F)F)C1 2298201404 AIFZPRATUYYZAJ-IATRGZMQSA-N 457.299 4.251 50 10 JIGE CC(C)(C)OC(=O)N[C@]12CCC(F)(F)C[C@@H]1CN(CCCCI)C2 2303901498 JTQQGIYKWQPRDR-CJNGLKHVSA-N 458.331 4.216 50 10 JIGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCC(=O)O 2313566991 AHSLBCQVSSJLGD-UHFFFAOYSA-N 459.296 4.165 50 10 JIGE CCN(C[C@@](C)(CI)OCC12CC(C[C@@H](C)O1)C2)C(=O)OC(C)(C)C 2319566319 ZVASSIMDJOMIQX-RQRBMRNWSA-N 467.388 4.411 50 10 JIGE O=C(c1cc(I)ccc1Br)N1[C@H]2CC[C@H](C2)[C@@H]1CBr 2330982475 CQFFOTITNBHWLN-DVYJOKAKSA-N 498.984 4.442 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@H]2CC[C@H]1C[C@@H]2Cl 2337160820 YBXDQZMJJPRVGZ-SCVCMEIPSA-N 454.533 4.286 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1C[C@@H](Br)CC12CCC2 2340062680 BZGVWVGDOUOGTN-VIFPVBQESA-N 454.533 4.477 50 10 JIGE C[C@H](CBr)[C@@H]1CCCCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364214940 QMTBOSRJUBMXPE-XLIONFOSSA-N 499.471 4.058 50 10 JIGE Cn1nc(Br)c(Br)c1[C@@H](Br)c1ccc2nc(O)[nH]c2c1 2364228516 NKLPZQFQIMPCQU-QMMMGPOBSA-N 464.943 4.011 50 10 JIGE CC(C)COc1ccc(C(=O)NNC(=S)NC(=O)c2cccc(OCCc3ccccc3)c2)cc1 10334440 OSUOHRDUGUDZHK-UHFFFAOYSA-N 491.613 4.292 50 10 JIGE CC[C@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)c2ccccc2OCc2ccccc2)c1 10672508 DTCIWBBMKIWAKC-SFHVURJKSA-N 477.586 4.392 50 10 JIGE Cc1cc(NC(=O)CCCBr)n(-c2ncnc3c2cnn3-c2ccc(C)c(C)c2)n1 13962923 RXZKODSACDBTSO-UHFFFAOYSA-N 468.359 4.040 50 10 JIGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)COc2ccc(Cl)cc2Br)c1 13979650 BGUBWTIHBKXNAO-UHFFFAOYSA-N 469.763 4.140 50 10 JIGE O=C(CCCC(=O)OCCCc1ccccc1)NNC(=O)COc1ccccc1-c1ccccc1 14016742 CWMUXINTGUNXRG-UHFFFAOYSA-N 474.557 4.226 50 10 JIGE O=C(NNc1ncnc(NCc2ccc(F)cc2)c1[N+](=O)[O-])c1ccc(Cl)cc1Cl 40658815 WOTYTNOOPWRUII-UHFFFAOYSA-N 451.245 4.200 50 10 JIGE Cc1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 40814610 XULDEJFSGJXQRX-NHFJDJAPSA-N 460.490 4.456 50 10 JIGE COc1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(O)c(Br)c2Br)cc1 59433085 JRCZCQVFIQQPAH-YRNVUSSQSA-N 482.128 4.480 50 10 JIGE O=S1(=O)CC[C@@H](C(CBr)(CBr)Cc2sccc2Br)C1 118669403 PIYKLWYDLAVFHP-SECBINFHSA-N 495.096 4.264 50 10 JIGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CCCCC[C@@H]1CBr 157733333 FIYQGIYDJDKZNE-MRVPVSSYSA-N 451.633 4.492 50 10 JIGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccc(C)cc3)nnc2-c2ccccc2)cc1 254409811 SOAVYMVFOQUIFB-UHFFFAOYSA-N 457.559 4.494 50 10 JIGE CCn1c(SCC(=O)NN=Cc2cccc3ccccc23)nnc1-c1ccc(OC)c(OC)c1 254745971 YJNYMSMHMJVZNL-UHFFFAOYSA-N 475.574 4.378 50 10 JIGE CC(=C/c1ccccc1)/C=C(\NC(=O)c1ccccc1)C(=O)NN=Cc1cc2c(cc1[N+](=O)[O-])OCO2 254794728 JWPSLLUUDCBWNN-HVNUDDFRSA-N 498.495 4.191 50 10 JIGE CC[C@@H](Br)[C@@H](C)NC(=O)c1cc(Br)ccc1I 395384804 TWAQKNHWWRRNAH-GMSGAONNSA-N 474.962 4.346 50 10 JIGE Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(-c3n[nH]c(C4CC4)n3)c2)c(C)n1C[C@@H]1CCCO1 726765951 HCAYGFRDLWQZET-NWKGEQBZSA-N 456.550 4.492 50 10 JIGE O=C(NCCc1cccs1)NNC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12 727731766 JRUBGMMIJMIMBQ-UHFFFAOYSA-N 465.510 4.155 50 10 JIGE COc1c(Br)cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc1Br 1083888985 ZIPGFMHLFJESSA-INIZCTEOSA-N 470.161 4.184 50 10 JIGE Cc1cc(C=NNC(=O)Nc2ccccc2Cl)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 1084395658 MTKXBGYMULUWSW-UHFFFAOYSA-N 454.870 4.300 50 10 JIGE COc1ccc(C(=O)NN=C2C(=O)N(Cc3ccc(F)cc3)c3ccc(Br)cc32)cc1 1084501972 IPZLZWSYKZVLMW-UHFFFAOYSA-N 482.309 4.278 50 10 JIGE CC(C)(C)OC(=O)N[C@H](CCC(=O)NNC(=O)c1ccc(Br)cc1)c1ccccc1 1318301508 HGYCPHVHLSRGKL-GOSISDBHSA-N 476.371 4.256 50 10 JIGE CCc1ccc(OCCCC(=O)NNC(=O)c2ccccc2SC)c(Br)c1 1865756723 RFAIEKKXUIVICO-UHFFFAOYSA-N 451.386 4.354 50 10 JIGE Cc1c(Br)sc([C@@H](Br)C2(C)CS(=O)(=O)C2)c1Br 1922935032 MACKKLVHGMFNBH-MRVPVSSYSA-N 467.042 4.452 50 10 JIGE Brc1cc(I)cnc1N1CC[C@H](Br)[C@@H]1C1CC1 2015767323 ORBHBPDKKWHMMP-ONGXEEELSA-N 471.962 4.201 50 10 JIGE CCOC(=O)Cc1c(CBr)ccc(OC(F)(F)F)c1I 2055275470 KFUBAGAVPCXIMD-UHFFFAOYSA-N 467.019 4.190 50 10 JIGE O=C(CBr)c1ccc(C(F)(F)F)c(I)c1OC(F)F 2060377860 AZSDPMDWMSFSFZ-UHFFFAOYSA-N 458.946 4.489 50 10 JIGE C[C@]1(CCBr)CCN1C(=O)c1ccc(I)c(Br)c1 2084697145 KBTFPMKXVAPWMB-ZDUSSCGKSA-N 486.973 4.443 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@]12CC[S@](=O)(=NC(=O)[C@H](Br)C1CCCC1)C2 2167030918 BMZUARJYSKQVOC-NIGURAHDSA-N 463.438 4.108 50 10 JIGE CCCn1cc(S(=O)(=O)N2CCC(OCc3ccccc3)CC2)cc1CBr 2179858507 PIZYMUYFCUBGBY-UHFFFAOYSA-N 455.418 4.163 50 10 JIGE Cc1cc(C(=O)N2CC[C@@H](CBr)C(F)(F)C2)ccc1I 2207098393 VYVXGQKSCKIKKB-NSHDSACASA-N 458.084 4.092 50 10 JIGE C[C@H]1CCN(C(=O)c2ccc(Cl)c(I)c2)C[C@@H]1CBr 2268346488 QUKXZZLOMIRTPG-ONGXEEELSA-N 456.549 4.438 50 10 JIGE COc1cc(OC)c(OC)cc1C=C1Oc2c(ccc(OC(=O)C(Cl)Cl)c2C)C1=O 2323759562 NQQBBGLXENVUHU-UHFFFAOYSA-N 453.274 4.346 50 10 JIGE O=C(c1sccc1I)N1CC[C@@H](Br)C[C@@H]1C(F)(F)F 2336330728 WZVFHIUTQGTFTP-HTRCEHHLSA-N 468.076 4.283 50 10 JIGE BrC[C@H]1CCC2(CN(Cc3ccc(Br)cc3Br)C2)O1 2336704199 IAHVUXHMJRSCOJ-GFCCVEGCSA-N 454.000 4.340 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1CC[C@H](Br)C12CCC2 2340062574 BCMHTFKFBNDOII-LBPRGKRZSA-N 454.533 4.477 50 10 JIGE CCc1cc2c3c(c1)[C@@](C)(c1ccccc1)CC(C)(C)N3C(=O)[C@]21C(C#N)=C(N)Oc2[nH]nc(C)c21 2444198 GIEQNIXMXWDHTL-WDYNHAJCSA-N 479.584 4.488 50 10 JIGE CCOC(=O)c1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)COc1ccccc1)CCC2 40816200 MBSDUCHORLCRHQ-XHLNEMQHSA-N 489.528 4.253 50 10 JIGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(-c3ccc(C(=O)O)cc3C)o2)cc1 58894638 XERMSOGBSVLQPJ-XPUNOZPZSA-N 450.491 4.316 50 10 JIGE COc1ccc(Br)cc1/C=N/NC(=O)CSc1nc2ccc([N+](=O)[O-])cc2s1 58990339 SEUVLSFTJJICTJ-UFWORHAWSA-N 481.353 4.218 50 10 JIGE N#C/C(=C/c1cccc(I)c1)c1nc2ncc(Br)cc2[nH]1 59109342 JXHYAGUHGUPYJA-WMZJFQQLSA-N 451.065 4.389 50 10 JIGE C=CCNC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(OC)cc1 101241739 DCSZNVFCGFDWIK-LBMWUGKUSA-N 498.402 4.186 50 10 JIGE CC1(C)O[C@H]2[C@H](O1)[C@H](CO[Si](C)(C)C(C)(C)C)O[C@H]2n1ccc2c(Cl)nc(N)nc21 248178332 WXKYMEIKPSQDLH-QDEZUTFSSA-N 455.031 4.106 50 10 JIGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc(OC)cc3)cc2OCC)cc1 254512398 MJCQMRSJSLUPAC-UHFFFAOYSA-N 492.528 4.241 50 10 JIGE CCN1C(=O)C(=NNC(=O)c2c(-c3ccccc3)nc3n(C)c4ccccc4n23)c2cc(C)ccc21 254869688 YBKVPGXGCHRJIF-UHFFFAOYSA-N 476.540 4.302 50 10 JIGE CCOC(=O)C1CCN(C(=O)Nc2cccc(C(=O)Nc3ccc(SC#N)cc3)c2)CC1 586666372 ATKHLWDPGVLELM-UHFFFAOYSA-N 452.536 4.319 50 10 JIGE CC1CCN(C(=O)[C@H](C)OC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)CC1 782092039 BJGFNUTYVKZGIK-OFBHVFLISA-N 479.968 4.214 50 10 JIGE CCOC(=O)c1c(NC(=O)N/N=C/c2cc(Br)c(O)c(OC)c2)sc2c1CCCC2 1615196731 YOLVCRTYLYWKIR-LSHDLFTRSA-N 496.383 4.436 50 10 JIGE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1636385280 LYGKOFJQFHLXEY-AWEZNQCLSA-N 453.383 4.474 50 10 JIGE C=CCn1c(SCC(=O)NN[C@@H](C)C(F)(F)F)nnc1-c1ccc(Cl)cc1Cl 1640987888 PKSAMHWEHFGIPI-VIFPVBQESA-N 454.305 4.102 50 10 JIGE Cc1cccc(C(=O)NN=C2CCCc3oc(C(=O)NNC(=O)c4cccc(Cl)c4)c(C)c32)c1 1772744771 IGBRZFCDCLDHJN-UHFFFAOYSA-N 478.936 4.095 50 10 JIGE N#CSc1ccc(NC(=O)Nc2ncccc2OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 1858836481 YVAVZFKHINLGMO-UHFFFAOYSA-N 464.463 4.224 50 10 JIGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)c1O 1865683410 CTQAAYOYOANQRQ-INIZCTEOSA-N 460.387 4.022 50 10 JIGE N#CSc1ccc(NC(=O)[C@H](CO)NC(=O)C[C@@H](c2ccc(F)cc2)c2cccc(F)c2)cc1 1866780944 JZOIGAQMKZSVPA-GOTSBHOMSA-N 481.524 4.176 50 10 JIGE O=C(N[C@@H](CBr)C[C@@H]1CCOC1)c1cc(Br)c(Br)s1 1883292484 MPUXCCBGXDDIJV-JGVFFNPUSA-N 476.028 4.193 50 10 JIGE BrC[C@H]1[C@H]2CC[C@@H](C2)N1c1ncc(I)cc1Br 2015762815 PQGUVPMFOLSRFV-ARENWVFISA-N 471.962 4.201 50 10 JIGE CCOC(=O)c1c(OC(F)(F)F)ccc(CBr)c1I 2055267552 INGVKOOIURFVNL-UHFFFAOYSA-N 452.992 4.261 50 10 JIGE O=C(CBr)c1cc(Cl)cc(I)c1I 2060092628 COTXWLOKQHFBFG-UHFFFAOYSA-N 485.284 4.127 50 10 JIGE O=C(CBr)c1c(I)ccc(C(F)(F)F)c1OC(F)F 2060376682 OPDQOOHZYYTKNT-UHFFFAOYSA-N 458.946 4.489 50 10 JIGE O=S(=O)(NCC[C@@H](Br)C1CC1)c1cc(Br)ccc1Br 2090455993 XDXYQYVRCIABMP-SNVBAGLBSA-N 476.028 4.054 50 10 JIGE BrC[C@@H]1CN(Cc2cccc(Br)c2Br)C2(CC2)CO1 2127539692 VDPKUTNOFMYTSQ-LLVKDONJSA-N 454.000 4.340 50 10 JIGE CN1CCN(Cc2cc(Br)ccc2Br)[C@@H](CCBr)C1 2138085031 TWRXLBSNIIVIDX-ZDUSSCGKSA-N 455.032 4.113 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CC[C@@H](CCl)C(F)(F)C1 2146383869 PNHQJZXZAOMTGV-QMMMGPOBSA-N 478.502 4.390 50 10 JIGE CCN(CC)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(CBr)c(C)c1 2179786324 ZAVQGTZAGPNNRU-UHFFFAOYSA-N 453.446 4.423 50 10 JIGE O=S(=O)(c1ccc(CCCBr)cc1)N1CCC(OCc2ccccc2)CC1 2179859102 YORJAFIFIFTNIF-UHFFFAOYSA-N 452.414 4.384 50 10 JIGE CCc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)[C@@H](C)C2)cc1CBr 2179862438 WMVPRNYEFJYWEC-KRWDZBQOSA-N 451.430 4.039 50 10 JIGE O=S(=O)(c1ccc(CCl)c(Br)c1)N1C[C@@H]2[C@H](CCN2Cc2ccccc2)C1 2188888929 WYZVMDOLGZEBIE-YLJYHZDGSA-N 469.832 4.083 50 10 JIGE Cc1nc(C2CCN(C(=O)[C@H](Cl)C(C)C)CC2)nc2c1CCC(=O)N2CCc1ccccc1 2296578318 QZKBQSQOIXTUHN-HSZRJFAPSA-N 469.029 4.276 50 10 JIGE COc1ccc(NC(=O)C(C#N)=Cc2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)cc1 2313562477 SWIGTQMUNUUYPN-UHFFFAOYSA-N 459.458 4.045 50 10 JIGE COCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)C(C)=C(C#N)C1=O 2314618671 RLSCQYOFWNWKFB-UHFFFAOYSA-N 470.504 4.307 50 10 JIGE N#CC(=C(O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1nc(-c2ccc3c(c2)OCCO3)cs1 2331330674 ASEWQMKQZFZNMZ-UHFFFAOYSA-N 492.513 4.276 50 10 JIGE O=C(Cc1cccc2ccccc12)NC(=S)NNC(=O)C(c1ccccc1)c1ccccc1 13976952 KUJGRFOSHHQHJA-UHFFFAOYSA-N 453.567 4.236 50 10 JIGE CCc1ccc(OCC(=O)NNC(=O)c2ccccc2OCc2ccccc2)c(Br)c1 14030805 JGEDYYVVASSPRJ-UHFFFAOYSA-N 483.362 4.431 50 10 JIGE CCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc3cc(C(=O)NCC(C)C)c(=O)oc3c2)cc1 40894360 YNVMLBLGVBHERJ-YBFXNURJSA-N 460.486 4.090 50 10 JIGE CS(=O)(=O)N(CC(=O)N/N=C/c1c(Cl)cccc1Cl)c1ccc2c3c(cccc13)CC2 59464110 HLKKLPSMVIPVDH-BRJLIKDPSA-N 476.385 4.162 50 10 JIGE CCOCCCN(C(=O)CCl)[C@H](C(=O)NC1CCCCC1)c1ccc(OC(C)C)c(OC)c1 97914681 BTINPHOSLKGIAL-DEOSSOPVSA-N 483.049 4.466 50 10 JIGE COc1cccc(C=NNC(=O)c2ccc(Cl)cc2)c1OS(=O)(=O)c1ccc(C)cc1 252623735 OYCMGBLPZKMVOS-UHFFFAOYSA-N 458.923 4.189 50 10 JIGE CCN(CC)c1ccc(C=NNC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1 254834440 IQSAHBNGBPDAHE-UHFFFAOYSA-N 456.593 4.159 50 10 JIGE O=C(N[C@@H](CBr)C1CCCCC1)c1cc(I)ccc1O 386326861 ZJODTTRKNAICRN-ZDUSSCGKSA-N 452.130 4.070 50 10 JIGE C[C@@H]1[C@@H](Br)CCCN1C(=O)c1cc(I)ccc1Br 395215879 KJDKFFXFLXAZFD-KCJUWKMLSA-N 486.973 4.442 50 10 JIGE FC(F)(F)Oc1cc(I)nc(CBr)c1Br 396177270 FHKNNDYABYOGHZ-UHFFFAOYSA-N 460.813 4.242 50 10 JIGE C[C@H](COCC(F)(F)F)NC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1 742409459 DYMWVKFZCFVSON-SLVCOGOPSA-N 465.863 4.108 50 10 JIGE Cc1ccccc1CN(C)C(=O)[C@H](C)OC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1 853447044 BZOUQIFGQHMOQP-MVUTXWCHSA-N 481.556 4.269 50 10 JIGE Cc1cc(/C=C(/C#N)C(=O)OCc2ccc(S(=O)(=O)N3CCCC3)o2)c(C)n1-c1ccc(F)cc1 915377158 AMLQTQATACGPRA-ZHZULCJRSA-N 497.548 4.261 50 10 JIGE O=C(CSc1n[nH]c(NN=Cc2c3ccccc3cc3ccccc23)n1)NNC(=O)c1ccccc1 1084633182 WNQMUPNGXKFJOY-UHFFFAOYSA-N 495.568 4.110 50 10 JIGE C/C(=C\C(=O)NNC(=O)COc1ccc(Br)cc1)c1cccc(C(F)(F)F)c1 1521302186 VRWVJNOYERIWFU-FMIVXFBMSA-N 457.246 4.098 50 10 JIGE CC(=O)N1C[C@H](c2cc(C(F)(F)F)ccc2Br)[C@@H](CI)C1 1614696003 WWSFISOGSXQPDN-CABZTGNLSA-N 476.074 4.465 50 10 JIGE Cc1cccc(C(=O)NN=C2CCCc3oc(C(=O)NNC(=O)c4ccccc4Cl)c(C)c32)c1 1772744770 IFOKXRUMYKIFCG-UHFFFAOYSA-N 478.936 4.095 50 10 JIGE Cc1nn(Cc2ccccc2F)c2c1[C@@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865697230 XYUFIMQETIYJJQ-IBGZPJMESA-N 455.287 4.065 50 10 JIGE CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1cc(OC)c(OC)cc1OC)C(C#N)=C(N)O2 1865710644 DFXNXZSCIBYEGV-HSZRJFAPSA-N 460.534 4.377 50 10 JIGE CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@H]2c1cc2c(cc1[N+](=O)[O-])OCCO2 1865712313 VKRXKWOQBHYVJS-OAQYLSRUSA-N 473.489 4.104 50 10 JIGE COC(=O)c1cccc(C(=O)NNC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)nc2C)c1 1865759223 OMMNFJIRQYNNIX-UHFFFAOYSA-N 458.301 4.225 50 10 JIGE C[C@@H](NC(=O)C[C@@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)Nc1ccc(SC#N)cc1 1866720017 IMNUVKPEYUAUNK-FOIQADDNSA-N 451.548 4.058 50 10 JIGE Cc1nc(C(=O)N[C@H](CCBr)COCc2ccccc2)c(Br)s1 1902795088 UORZFNIAUMMUDK-CYBMUJFWSA-N 462.207 4.314 50 10 JIGE CC(C)[C@H](CBr)N(Cc1ccccc1)S(=O)(=O)N1CC(OCc2ccccc2)C1 1959173537 SZJILXYXPWOMCO-QFIPXVFZSA-N 481.456 4.054 50 10 JIGE Brc1cc(I)cnc1N1C[C@@H]2C[C@H](C[C@H]2Br)C1 2015764191 BOTDHZRHFXEJDP-KHQFGBGNSA-N 471.962 4.058 50 10 JIGE CN(C[C@H]1C[C@@H](Br)C1)C(=O)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2020200377 DJKGIVJOEPWUTB-JXALWOEJSA-N 495.458 4.462 50 10 JIGE CC(C)(C)OC(=O)N1CC(N(OCc2ccccc2)S(=O)(=O)c2ccc(CCCl)cc2)C1 2055658624 BWCNRJFHAWSTEJ-UHFFFAOYSA-N 481.014 4.210 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1[C@H]2CC[C@@H](C2)[C@@H]1CBr 2122171505 HNZSUFLROYAJKY-FWDPORAESA-N 454.533 4.333 50 10 JIGE CCCCOCCOCCOC1(CI)CCN(C(=O)OC(C)(C)C)CC1 2124821844 BQTLDVRTCUHHNK-UHFFFAOYSA-N 485.403 4.041 50 10 JIGE CC[C@H](Br)[C@@H]1CCCCN1C(=O)c1cc(I)ccc1O 2170617717 XNRWYSAKUJMGKJ-STQMWFEESA-N 452.130 4.165 50 10 JIGE C[C@@H]1[C@H](O[C@@H](CI)c2cccc(Br)c2)C2CCN1CC2 2198009245 JTAPGXTTYBBIPY-RLCCDNCMSA-N 450.158 4.425 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@@]12CC[S@](=O)(=NCCCCCI)C2 2214711460 LBMBBLZMRGMHRK-BXKMTCNYSA-N 470.417 4.233 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@H](F)C[C@@H](Br)C1 2219180385 IFNSCHXABGWURX-RKDXNWHRSA-N 490.936 4.001 50 10 JIGE CN(C[C@H]1C[C@H]1Br)C(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21 2241635298 YYCJMYBLKFDSFX-QVKFZJNVSA-N 457.368 4.157 50 10 JIGE O=C(NC[C@@H]1CC[C@@H](CBr)CO1)c1cc(Br)ccc1Br 2279407535 LZUXQEPECSUFSQ-ONGXEEELSA-N 469.999 4.132 50 10 JIGE CC(C)(CI)CN1CCCC[C@@H]1C(F)(F)CNC(=O)OC(C)(C)C 2306809633 LFJMQKYBFMPJRE-CYBMUJFWSA-N 460.347 4.462 50 10 JIGE CC(=NNC(=O)c1ccc(-c2ccc(F)c(F)c2)nc1C)c1ccc2c(c1)N(C)C(=O)[C@@H](C)O2 2321261013 QTVXFWFAWLVLQR-OAHLLOKOSA-N 464.472 4.233 50 10 JIGE COc1cccc([C@@H](C(=O)NC2CCCCC2)N(C[C@H]2COc3ccccc3O2)C(=O)CCl)c1 3039813 AQVUANODLSKNRH-OFVILXPXSA-N 486.996 4.093 50 10 JIGE CCOC(=O)COc1ccc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1Br 33935976 IIXJGPAJLSMLFI-JQFNYASXSA-N 457.324 4.175 50 10 JIGE CCOc1ccc(/C=C2/C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1OCC 38608656 HSRIOWAQDQCPAT-PXLXIMEGSA-N 460.530 4.328 50 10 JIGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)cc1 38685693 OTXPJGFMBUROQF-VWLOTQADSA-N 487.468 4.196 50 10 JIGE O=C(NNc1ncnc(Nc2ccc(Cl)cn2)c1[N+](=O)[O-])c1ccc(Cl)cc1Cl 40647071 UUYOUUIXNFEOJG-UHFFFAOYSA-N 454.661 4.241 50 10 JIGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(Nc2cccnc2Cl)c1[N+](=O)[O-] 40659573 YEHDRHNNWBIVNX-UHFFFAOYSA-N 484.687 4.006 50 10 JIGE Cc1c(C(=O)N2CCC(C)CC2)oc2c1/C(=N/NC(=O)c1cncc(Br)c1)CCC2 40822894 PPSJGGSFWYIMHO-KOEQRZSOSA-N 473.371 4.088 50 10 JIGE CC1=NN(c2ccccc2)C(=O)[C@H]1/C(=N\NC(=O)c1cc(Br)ccc1O)c1ccccc1 59377919 VCIMQEDCLKMQAN-LXAYZEPESA-N 491.345 4.328 50 10 JIGE CC[C@H](NC(=O)/C(C#N)=C\N1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccc2c(c1)CCCC2 217192826 ZPBPOTWRZVYOPY-RXSCDKOLSA-N 486.616 4.087 50 10 JIGE CC(C)(C)OC(=O)N1C[C@H](I)[C@H](OCc2ccc(Br)cc2)C1 231319377 HMCIRLOJFKHEGB-UONOGXRCSA-N 482.156 4.389 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2C[C@@H](C)C[C@H](Br)C2)cc1Br 401611563 KBJFALWBBKBVQV-WPRPVWTQSA-N 490.055 4.314 50 10 JIGE CC(C)[C@H](CI)NCc1cc(Cl)ccc1I 405548115 XRPYZDMROBVZGP-LBPRGKRZSA-N 463.528 4.494 50 10 JIGE O=S1(=O)CC[C@@H](CCOc2c(Br)cc(CBr)cc2Br)C1 696931466 ZOMZWOKXALIZPO-SECBINFHSA-N 491.039 4.310 50 10 JIGE C[C@H]1C[C@H](Br)CN(C(=O)c2ccc(I)c(Br)c2)C1 721613889 MZVLUSLKRUJKED-WPRPVWTQSA-N 486.973 4.299 50 10 JIGE O=C(CCOc1ccccc1)NNC(=O)c1ccsc1NC(=O)c1ccc2c(c1)CCCC2 729349353 DRRQBWSVHCEBLN-UHFFFAOYSA-N 463.559 4.109 50 10 JIGE COc1ccccc1[C@@H](CNC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1)N1CCCC1 914846911 AGNRHFZXERCNPQ-JNCGISBCSA-N 494.599 4.333 50 10 JIGE O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)NN=Cc1c(Cl)cccc1Cl 1084543583 HWRJXBMTJVRMAQ-UHFFFAOYSA-N 476.385 4.335 50 10 JIGE CC(=O)N(c1ccc(NC(=O)NNC(=O)COc2cc(C)ccc2C(C)C)cc1)[C@H]1C[C@@H]1C 1672172706 MWIHLTUHRMDXKV-JTSKRJEESA-N 452.555 4.111 50 10 JIGE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1cc(OC)c(OC)cc1OC)C(C#N)=C(N)O2 1865712093 PJHPDRBYYITGBH-OAQYLSRUSA-N 466.925 4.332 50 10 JIGE CC[C@@H](C)N1C(=O)c2ccc(C(=O)NNC(=O)c3ccc(-c4ccc(Cl)cc4)nc3C)cc2C1=O 1865755880 VJAYDANUZVSOKH-CQSZACIVSA-N 490.947 4.180 50 10 JIGE CN(C[C@@H]1C[C@H]1Br)C(=O)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 1887823895 TWBAACJGJDHULN-NUEKZKHPSA-N 490.236 4.127 50 10 JIGE O=C(c1ccc(Br)cc1Br)N1CCC(CI)CC1 2037335150 XTMQBCXHIQLLBR-UHFFFAOYSA-N 486.973 4.499 50 10 JIGE Cc1cc(Br)c(C)c([C@@H](Br)C2CS(=O)(=O)C2)c1Br 2081058680 GLQAALCKJXADGJ-LBPRGKRZSA-N 461.013 4.309 50 10 JIGE O=S(=O)(c1ccc(CBr)c(Cl)c1)N1CCCN(Cc2ccccc2)CC1 2123200121 COWMMFDAMPGWNZ-UHFFFAOYSA-N 457.821 4.132 50 10 JIGE CN(Cc1ccccc1)[C@@H]1CCCCN(S(=O)(=O)c2ccc(CBr)s2)C1 2123232083 LWTRUTATSFDWDE-QGZVFWFLSA-N 457.459 4.318 50 10 JIGE CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)[C@@H](Br)C2CCCC2)C(F)(F)CC1 2167032231 MBVORVFJJISERC-GJZGRUSLSA-N 453.368 4.339 50 10 JIGE CS[C@H]1CCCCN(S(=O)(=O)c2cc(CBr)sc2Br)C1 2179787745 TWSAIFVQUNVJFB-VIFPVBQESA-N 463.282 4.312 50 10 JIGE O=S(=O)(c1cc(Br)cc(CBr)c1F)N1CC=C(Br)CC1 2179830514 LZDMEUNRYJWLPH-UHFFFAOYSA-N 492.002 4.156 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N1CC[C@](F)(CBr)C1 2277922763 BRTZVOKQVDUVNI-ZDUSSCGKSA-N 457.963 4.090 50 10 JIGE O=C(c1c(F)cccc1I)N1CC[C@@H]2C[C@H](Br)CC[C@@H]21 2282791684 IRSLCYWWOXSCAK-BREBYQMCSA-N 452.105 4.208 50 10 JIGE CC(C)(CI)CN1CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]1C(F)(F)F 2306819167 REXISPCMGMSHSK-NEPJUHHUSA-N 464.310 4.368 50 10 JIGE COc1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)c1 2314617973 DXOOWEUEXCNJDP-XMMPIXPASA-N 494.551 4.319 50 10 JIGE COc1ccc(OC)c(-c2csc(C(C#N)=C(O)CCN3C(=O)c4ccccc4C3=O)n2)c1 2331325066 FCLOQRAGEJAAIL-UHFFFAOYSA-N 461.499 4.306 50 10 JIGE CC[C@@H]1CN(C(=O)c2ccc(Cl)cc2I)C[C@H]1CBr 2340056505 FRSZMGJHNCUQFC-NXEZZACHSA-N 456.549 4.438 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1C[C@H]2C[C@@H](Br)C[C@H]2C1 2340056568 GERMKDVQYPHHIK-ILWJIGKKSA-N 454.533 4.190 50 10 JIGE Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NNC(=O)c3cn(C)c4ccccc34)cc12 10736350 SCZPLNPKRDDDJU-UHFFFAOYSA-N 461.522 4.160 50 10 JIGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)COc3ccc(C(C)(C)C)cc3)cc2)c1 12489087 VZYFYWOBLSNDGS-UHFFFAOYSA-N 459.546 4.385 50 10 JIGE N#C/C(C(N)=O)=C1\S[C@@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(Br)cc1 33389427 MNWIEBHWUGVUTQ-DAMBIUFKSA-N 462.756 4.014 50 10 JIGE Cc1cc(C)cc(Oc2ncnc(NNC(=O)c3ccccc3Br)c2[N+](=O)[O-])c1 40582770 UBUIHZNBAQPODK-UHFFFAOYSA-N 458.272 4.313 50 10 JIGE COc1ccccc1C(=O)NNc1ncnc(Nc2cc(C(F)(F)F)ccc2Cl)c1N 40682694 YFZOFRHJOIMRQN-UHFFFAOYSA-N 452.824 4.240 50 10 JIGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)NCCc3ccccc3)c(Oc3ccccc3)nc12 102846222 PDNNPBYUDWNTCJ-FXBPSFAMSA-N 450.498 4.061 50 10 JIGE CCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCCOC)cc2OC)cc1 103647703 DPOKAGDODNZKIB-FPLUMSEUSA-N 478.545 4.162 50 10 JIGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CCCCC[C@H]1CBr 157733507 FIYQGIYDJDKZNE-QMMMGPOBSA-N 451.633 4.492 50 10 JIGE CC(=O)Nc1cccc(N/C=C(/C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 216500156 CGBUISUPRZMXPJ-DAFNUICNSA-N 479.584 4.398 50 10 JIGE CC(C)(C)OC(=O)N1C[C@H](I)[C@@H](OCc2ccc(Br)cc2)C1 231319371 HMCIRLOJFKHEGB-KBPBESRZSA-N 482.156 4.389 50 10 JIGE C/C(C=NNC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1)=C\c1ccccc1 252590140 APKIAFPJVOZLRK-ZFXGURLJSA-N 453.498 4.392 50 10 JIGE CN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(CCl)ccc1Br 311847209 RYNHYUFXQCBXBW-QGZVFWFLSA-N 457.821 4.083 50 10 JIGE C[C@H]1C[C@@H](CBr)CN(S(=O)(=O)c2cc(Br)ccc2Br)C1 398690585 NRVXRRVQLLNXDT-UWVGGRQHSA-N 490.055 4.253 50 10 JIGE CCOc1ccccc1NC(=O)C(=O)NN=Cc1cccc(OCc2ccccc2Cl)c1 1084031387 TWQNDFLCKQIYNI-UHFFFAOYSA-N 451.910 4.407 50 10 JIGE Cc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)c(C)n1-c1cc(C(=O)O)ccc1Cl 1084175712 ILTOAOFTVDEARP-QFIPXVFZSA-N 453.926 4.410 50 10 JIGE C=CCc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OC 1084444627 AUZGXBPUUMFZBA-HMMYKYKNSA-N 466.379 4.442 50 10 JIGE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NNc2cc(C)ccn2)ccc1Cl 1182976053 CXZHIPHHSNUGTD-UHFFFAOYSA-N 456.955 4.182 50 10 JIGE CC(=O)c1ccc(-c2ccc(C(=O)NNc3ccc(S(=O)(=O)C(F)(F)F)cc3)o2)cc1 1446474898 OPDPFJZTLYHAMN-UHFFFAOYSA-N 452.410 4.200 50 10 JIGE CCc1nn(Cc2ccccc2F)c2c1[C@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865696203 KTKYBKGOZJBYBO-LJQANCHMSA-N 469.314 4.319 50 10 JIGE CCC(CBr)(CBr)NC(=O)c1c(Br)cccc1OC 1913173125 LGJDFQIDCLYBEV-UHFFFAOYSA-N 457.988 4.126 50 10 JIGE Clc1ccc(I)c(CN2C[C@H](Br)C[C@]3(CCCO3)C2)c1 1924311253 WOGNRCDWUIVXTI-IUODEOHRSA-N 470.576 4.463 50 10 JIGE O=C(c1cc(Br)c(Br)s1)N1C[C@@H]2C[C@H](CBr)[C@@H]2C1 2053984398 PASNIFJXHPRTAM-CSMHCCOUSA-N 458.013 4.376 50 10 JIGE CN1CCC[C@H]([C@H](Br)c2cc(Br)ccc2Br)S1(=O)=O 2089531803 OEMMUEKJOJXAHU-VXGBXAGGSA-N 476.028 4.072 50 10 JIGE O=C(c1cccc(Br)c1Br)N1C[C@@H]2C[C@@H](CBr)[C@@H]2C1 2117689292 LZAOPXNGTNQNGI-QXEWZRGKSA-N 451.984 4.315 50 10 JIGE O=S(=O)(c1cc(Cl)cc(CBr)c1F)N1CC[C@@H](OCc2ccccc2)C1 2123268192 KRGQUQMIJVIEHC-MRXNPFEDSA-N 462.768 4.354 50 10 JIGE CN([C@H]1CC(C)(C)[C@@H]1OCc1ccccc1)S(=O)(=O)CCC(F)(F)CBr 2123363555 UTVSWKGIERQRJS-JKSUJKDBSA-N 454.377 4.052 50 10 JIGE Brc1ccc(Br)c(CN2CC[C@]3(C[C@H](Br)CO3)C2)c1 2137129173 BBDMPMXHYUKFLE-JSGCOSHPSA-N 454.000 4.340 50 10 JIGE C[C@H]1CN(C(=O)c2ccc(Br)cc2I)CC[C@H]1CCl 2142285257 NPOKFEGOUDLWAG-UWVGGRQHSA-N 456.549 4.391 50 10 JIGE CC[C@H]1CN(S(=O)(=O)c2ccc(Br)c(CCl)c2)CCN1Cc1ccccc1 2152172406 GBRGKDBHDZKDGH-SFHVURJKSA-N 471.848 4.473 50 10 JIGE C[C@@H]1CN(C(=O)c2c(Br)cccc2Br)C[C@H](CCBr)O1 2179382588 JSXYILJPAILVDN-ZJUUUORDSA-N 469.999 4.226 50 10 JIGE Cc1c(CBr)cccc1S(=O)(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 2179778883 HIHMQOSFFSLJEY-FQEVSTJZSA-N 451.430 4.175 50 10 JIGE O=C(c1cccc(F)c1I)N1CC[C@@H](CBr)C12CCC2 2190348071 UEMYHYTZMWZYFB-JTQLQIEISA-N 452.105 4.210 50 10 JIGE CN(CC(=O)Nc1ccc(Br)cc1Br)CC1CC(Br)C1 2196932385 XFGXIHSGOCLAMZ-UHFFFAOYSA-N 469.015 4.255 50 10 JIGE O=S1(=O)C[C@@H](Cl)[C@H](c2sc(Br)c(Br)c2Br)C1 2212201706 ZONFGGPAJNTWIN-QWWZWVQMSA-N 473.433 4.155 50 10 JIGE C[C@@H]1C[C@@H](CBr)CN(C(=O)c2ccc(Cl)c(I)c2)C1 2268354516 CGDQNGFCIVDIOW-ZJUUUORDSA-N 456.549 4.438 50 10 JIGE C[C@@]1(CBr)COCCN1Cc1ccc(I)c(Br)c1 2325231414 UZYXYTWJUYBPLL-CYBMUJFWSA-N 488.989 4.040 50 10 JIGE O=C(N[C@H]1C[C@@H](CBr)[C@@H]2C[C@H]12)c1ccc(Br)cc1Br 2329870997 SPWPYYOPAQTHRE-IRDCDUOOSA-N 451.984 4.361 50 10 JIGE O=C(c1ccc(Br)cc1Br)N1CC[C@H]2[C@H](CBr)[C@H]2C1 2333118049 VHECNMIJPMENGK-DLOVCJGASA-N 451.984 4.315 50 10 JIGE CC[C@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2cc(Cl)cc(Cl)c2)cc1 10506094 SWASXKHLMZHUDC-LBPRGKRZSA-N 454.379 4.221 50 10 JIGE CCc1ccc(OCC(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c(Br)c1 13977652 LNRQZHUGIOHQBA-LLVKDONJSA-N 490.181 4.312 50 10 JIGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)/C=C/c2ccc(OC)cc2)cc1 14025624 XUFNHIBNIFDHAX-CXUHLZMHSA-N 455.580 4.003 50 10 JIGE O=C(NNc1ncnc(Nc2nc3ccccc3s2)c1[N+](=O)[O-])c1ccc(Br)cc1 40645357 LJJPJPRNJPRTKV-UHFFFAOYSA-N 486.311 4.258 50 10 JIGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])o2)cc1 58894737 IPYLHIRLVQIORQ-ZPZBNPFISA-N 482.449 4.126 50 10 JIGE CC(=O)N1CCc2cc(Br)cc(NC(=O)NC[C@]3(C)C[C@H](N=C=O)CC(C)(C)C3)c21 170290036 AONHFKPUTMZTFC-VGOFRKELSA-N 477.403 4.400 50 10 JIGE Cc1cccc(CCN/C=C(/C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 216510105 WLMWVPGKHPBFCR-NFFVHWSESA-N 464.613 4.468 50 10 JIGE CCC(CBr)(CBr)NC(=O)c1c(F)cc(Br)cc1F 232851179 ZMLZIAJQHSQPTH-UHFFFAOYSA-N 463.942 4.396 50 10 JIGE CC(=NNC(=O)[C@H](C)Oc1ccccc1[N+](=O)[O-])c1cccc(NC(=O)c2ccc(C)o2)c1 252588528 ACLQRGUPDVETAX-INIZCTEOSA-N 450.451 4.056 50 10 JIGE CCN(CC)c1c(/C=N/NC(=O)CCCSc2ccccn2)c(C)nn1-c1ccccc1 253567946 KRJGRCVAFZLNHS-NLRVBDNBSA-N 450.612 4.445 50 10 JIGE C=CCn1c(CNc2ccccc2)nnc1SCC(=O)NN=Cc1c(O)ccc2ccccc12 254514996 SISHLVQDZCVYBV-UHFFFAOYSA-N 472.574 4.177 50 10 JIGE Cc1c(C)c(C)c(S(=O)(=O)N2CCC(C(=O)NN=C/C=C/c3ccccc3)CC2)c(C)c1C 254795886 RLTDACOLZYVYJS-ICHVRRSJSA-N 467.635 4.445 50 10 JIGE C[C@@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2C(=O)c1cccc(F)c1I 721679116 MVBOUSQOMLJAAR-MBJVOQIVSA-N 452.105 4.207 50 10 JIGE N#CCCn1cc(/C=C(/C#N)C(=O)N2CC(Oc3ccccc3)C2)c(-c2ccc(Cl)cc2)n1 729373199 FAVFSXHFXFYFFI-UYRXBGFRSA-N 457.921 4.314 50 10 JIGE Cn1nc(C(=O)NC(C)(C)C(=O)Nc2ccc(SC#N)cc2)cc1-c1cc(F)ccc1F 1867102032 ZPUBWYPZJCXURX-UHFFFAOYSA-N 455.490 4.086 50 10 JIGE O=S(=O)(c1cc(CCl)sc1Br)N(Cc1ccccc1)[C@@H]1CCOC1 1915455984 YVIJOTJLZMEUEK-CYBMUJFWSA-N 450.807 4.229 50 10 JIGE O=C(c1ccc(Br)cc1Br)N1C[C@@H]2C[C@H](C[C@H]2Br)C1 2107292382 IGWLNCQYJKDSJZ-VDDIYKPWSA-N 451.984 4.457 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1CC[C@@H](Br)[C@H]1C1CC1 2130609840 CAZKFCUUWTXRHU-ZWNOBZJWSA-N 454.533 4.333 50 10 JIGE O=C(c1csc(I)c1)N1CC[C@@H]2CC[C@H](Br)C[C@H]2C1 2139239076 VBUZLIMBIFPNIU-NHCYSSNCSA-N 454.171 4.378 50 10 JIGE O=C(c1cc(I)ccc1F)N1C[C@@H]2CCC[C@H](C1)C2Br 2169669056 XEKHZWLXERVLJZ-XFLKPENQSA-N 452.105 4.066 50 10 JIGE CP(C)(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(CBr)sc1Br 2179774912 IJUVINMVRDJJPG-SNVBAGLBSA-N 465.169 4.139 50 10 JIGE Cc1cc(S(=O)(=O)N2C[C@@H]3CN(Cc4ccccc4)CC[C@H]3C2)sc1CBr 2179823106 FTSSQCQZJUUZOJ-ROUUACIJSA-N 469.470 4.094 50 10 JIGE Cc1cc(S(=O)(=O)N2[C@H]3CCC[C@H]2CN(Cc2ccccc2)C3)sc1CBr 2182302963 FBHDICNDINYDQI-ROUUACIJSA-N 469.470 4.379 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2CCC[C@@H]2[C@@H](C)Br)cc1Br 2193585013 RSDPCCOJMSAZEZ-BXKDBHETSA-N 490.055 4.457 50 10 JIGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CCN(C(=O)c2ccc(CCl)cc2)CC1 2227921157 PPIBBJLUKYBTLZ-UHFFFAOYSA-N 482.021 4.355 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1C[C@H]2C[C@H](Br)C[C@H]2C1 2268343073 BBDWQFULUIRCSQ-URLYPYJESA-N 454.533 4.190 50 10 JIGE CC(C=Cc1ccccc1)=NNC(=O)[C@@H](NC(=O)c1ccccc1)c1nnc(O)c2ccccc12 2296933574 VFIXWWCLEQHFKW-DEOSSOPVSA-N 465.513 4.012 50 10 JIGE BrC[C@@]12C[C@@H]1CN(Cc1ccc(I)c(Br)c1)C2 2306224119 MZHBSSHNJNERQI-ZWNOBZJWSA-N 470.974 4.271 50 10 JIGE CCOc1ccc(C=C(C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)cc1OC 2314728487 FOAZNLGRRLMMCA-UHFFFAOYSA-N 496.545 4.045 50 10 JIGE COc1ccc(C=NNC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)cc1Br 2320727273 GPYSGMYSQGZAOU-UHFFFAOYSA-N 497.374 4.046 50 10 JIGE Clc1cc(CN2CC3(CC[C@@H](CBr)O3)C2)ccc1I 2336705011 QNZCAHJUVCFCIZ-NSHDSACASA-N 456.549 4.073 50 10 JIGE Cn1nc(Br)c(Br)c1C(=O)N[C@@H](CBr)CC1CCCC1 2364229369 ARKNOPJJNIKFPX-SECBINFHSA-N 472.019 4.019 50 10 JIGE C[C@H](NC(=O)c1ccc(Cl)cc1I)c1nnc(CBr)s1 2365590589 HSHJUDHBAHEMSF-LURJTMIESA-N 486.560 4.182 50 10 JIGE CC(C)CCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccccc1Cl 14650765 GJTODOOBPQHZPM-UHFFFAOYSA-N 469.763 4.367 50 10 JIGE COc1ccc2cc(Br)ccc2c1CC(=O)NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 35550903 VFGOLDVTRSRAST-UHFFFAOYSA-N 475.255 4.113 50 10 JIGE COc1cccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(F)cc3)nc3c(C)cccn3c2=O)c1 39858711 SASSQWQLCFDZEJ-LGMDPLHJSA-N 470.460 4.489 50 10 JIGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(NCc2ccc(Cl)cc2)c1[N+](=O)[O-] 40657102 CEEMLFMSSNDPAK-UHFFFAOYSA-N 497.726 4.479 50 10 JIGE CCOc1c(Br)cc(/C=N/NC(=O)COc2ccc(Br)cc2)cc1OC 40911786 SGPATUUVDITSTF-UFFVCSGVSA-N 486.160 4.148 50 10 JIGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(-c3ccc(C(=O)OC)cc3)o2)cc1 58894771 PLKIOGLHNWWTFL-PPEIKGMUSA-N 450.491 4.096 50 10 JIGE O=C(NC[C@@H]1CCC[C@@H]1Br)c1cc(Br)ccc1I 232464142 HPUQGNQKYJWFFK-KWQFWETISA-N 486.973 4.347 50 10 JIGE Cc1cc(Cl)ccc1OCCCC(=O)NN=Cc1cc2c(cc1Br)OCO2 252626770 RFLBTYBKVIHGAB-UHFFFAOYSA-N 453.720 4.449 50 10 JIGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2cn(C)c3ccccc23)cc1OC 254381225 HZNCMBHUSXAKSI-GIEOXDGVSA-N 482.540 4.117 50 10 JIGE COc1cc(C=NNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)cc2)ccc1O 254385085 FUBOWPXEFPKPAV-UHFFFAOYSA-N 473.558 4.199 50 10 JIGE CC[C@H](NC(=O)c1cc(Br)ccc1I)[C@@H](C)Br 386746678 ZTXFKEFLUYMYBN-HQJQHLMTSA-N 474.962 4.346 50 10 JIGE COc1cc([C@H](Br)c2nn(C)cc2Br)c(OC)cc1Br 710265001 ARXZUBCVXWHSHU-LBPRGKRZSA-N 468.971 4.447 50 10 JIGE CC1(C)C[C@H](Br)CCN(C(=O)c2cccc(F)c2I)C1 721682595 XKFFFDIAFJXRCV-SNVBAGLBSA-N 454.121 4.456 50 10 JIGE O=C(O)c1ccc(COc2ccccc2C=NNC(=O)c2cc(Br)ccc2O)cc1 1084472146 ABFKJTHZLFCHBE-UHFFFAOYSA-N 469.291 4.196 50 10 JIGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc(C)c(C(=O)c3ccccc3)c2)cc1 1467173721 YXPBENYESHUXAT-SFHVURJKSA-N 459.502 4.049 50 10 JIGE CO[C@@H]1[C@@H](Br)CC[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 1535644794 PFNMFJBWDPFIRE-XUVXKRRUSA-N 460.324 4.221 50 10 JIGE COc1ccc(-c2ccc(C(=O)NNC(=O)c3ccc(OCC(C)C)cc3)c(C)n2)cc1OC 1865759031 FHFFNEJZNUOSLU-UHFFFAOYSA-N 463.534 4.184 50 10 JIGE Cn1nc(C(=O)N[C@@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)cc1-c1ccco1 1867243719 AAPSNWVXCQRUQN-JOCHJYFZSA-N 457.515 4.363 50 10 JIGE C=Cc1ccccc1OCC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1 1867264147 DATWSCSEDDJVDW-HSZRJFAPSA-N 473.554 4.353 50 10 JIGE C[C@@](CBr)(NC(=O)c1cc(Br)c(Br)s1)C(F)F 1998357302 NYWVUFMGGMHMPB-VIFPVBQESA-N 455.944 4.422 50 10 JIGE O=C(CCN1CCN(C(c2ccccc2)c2ccccc2)CC1)N/N=C/c1ccc(Br)o1 2033817373 BMCPIYLVMZCZSA-ZXVVBBHZSA-N 495.421 4.290 50 10 JIGE CCN(C[C@@](C)(CI)OCCCN1CCCCC1)C(=O)OC(C)(C)C 2055691905 AJNCRKJKEYTTFM-LJQANCHMSA-N 468.420 4.330 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@@H]2C[C@@H](CBr)[C@@H]2C1 2142290043 XKOZHQSUWXTZNC-AUTRQRHGSA-N 498.984 4.157 50 10 JIGE O=C(c1cccc(F)c1I)N1C[C@@H](Br)CC2(CCC2)C1 2151343580 YHRWLDHUNHXXLH-JTQLQIEISA-N 452.105 4.210 50 10 JIGE O=C(NC[C@]1(F)CC[C@@H](CBr)CC1)c1ccccc1I 2178588600 FAGMFTGRLANTIU-WGRBQBNCSA-N 454.121 4.314 50 10 JIGE Cc1c(CBr)cccc1S(=O)(=O)N(C)[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 2179785309 KHDNNXQXKVVZRQ-OXJNMPFZSA-N 451.430 4.173 50 10 JIGE O=C(c1cc(Br)cc(C(F)(F)F)c1)N1C[C@H](Br)[C@H](Br)C1 2196128823 AMYRLGQOAWGEGA-AOOOYVTPSA-N 479.916 4.451 50 10 JIGE C[C@@]1(CBr)COCCN(C(=O)c2cccc(Br)c2Br)C1 2199812163 LVZGKKZYHJGHCT-AWEZNQCLSA-N 469.999 4.085 50 10 JIGE Cc1ccc(I)c(C(=O)N2CC[C@@H](CBr)C(F)(F)C2)c1 2240900827 INPUVILDPACCCS-JTQLQIEISA-N 458.084 4.092 50 10 JIGE C[C@H]1[C@H](CBr)CCN1C(=O)Cc1cc(Br)cc(Br)c1 2277915807 LZYZTWXEHHOICN-ONGXEEELSA-N 454.000 4.386 50 10 JIGE COc1ccc(-n2c(C)cc(C=C(C#N)C(=O)OCC(=O)C(C#N)=C3Nc4ccccc4N3)c2C)cc1 2297335503 XEOHCVIDQOSAKG-UHFFFAOYSA-N 493.523 4.395 50 10 JIGE O=C(N[C@@H]1C[C@@H](CBr)[C@H]2C[C@H]21)c1cc(Br)ccc1I 2329877966 LEUOQXAPKXVTBC-OJPPFWEXSA-N 498.984 4.203 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1C[C@@H](Br)C2(CCC2)C1 2340064055 DAGWKMIWJGWSAF-GFCCVEGCSA-N 454.533 4.334 50 10 JIGE COc1ccc(Cl)c2sc(NNC(=O)c3ccccc3I)nc12 9447767 CBXYFQDFOAPCCY-UHFFFAOYSA-N 459.696 4.320 50 10 JIGE CC(C)CC(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(OCCc3ccccc3)cc2)cc1 14041611 KXQJNJBMULKUHN-UHFFFAOYSA-N 459.546 4.368 50 10 JIGE Cc1cc(C)cc(OCC(=O)NNC(=O)COc2ccc(-c3ccccc3)cc2Br)c1 14642096 KDRKEKRXYIHGNV-UHFFFAOYSA-N 483.362 4.338 50 10 JIGE C=CCNC(=O)/C(C#N)=C\c1ccc(OC(=O)[C@@H](C)Oc2cccc(Br)c2)c(OC)c1 33631853 AHABLXOIYGYJRS-QJISPJEISA-N 485.334 4.040 50 10 JIGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)c1 38659860 ICYACSZMZIVWBB-ODCWNRFASA-N 490.487 4.434 50 10 JIGE COc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cc(OC)c(OC)c(OC)c2)c1 38660452 GPCBDJVABBJLTB-DEOSSOPVSA-N 488.496 4.158 50 10 JIGE CCCOc1ccccc1/C=C(\C#N)C(=O)OCCCN1C(=O)c2ccc(Br)cc2C1=O 40949071 BKQWWQYQIUOZFA-GHRIWEEISA-N 497.345 4.374 50 10 JIGE CCCCCOc1c(OC)cc(/C=N\NC(=O)c2ccc3nc(N)sc3c2)cc1[N+](=O)[O-] 169916769 GZOMKQXHUJFFEQ-FMCGGJTJSA-N 457.512 4.128 50 10 JIGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)/C(C#N)=C\c1ccc(OC)cc1 206696868 FDCIIJQZVQYTEA-HRDIPXANSA-N 497.507 4.423 50 10 JIGE COc1ccc2oc(=NNC(=O)c3ccc([N+](=O)[O-])cc3)c(-c3nc4ccccc4[nH]3)cc2c1 254288353 MNZPTJADNLHLPJ-UHFFFAOYSA-N 455.430 4.139 50 10 JIGE COc1cc(Br)c([C@@H](Br)c2cnn(C)c2Br)cc1OC 379164466 LKUDTSOUKZKSHZ-GFCCVEGCSA-N 468.971 4.447 50 10 JIGE BrCC(CBr)(CO[C@@H]1CCOC1)c1ccccc1Br 388531327 OIDOSDUVIRPANV-LLVKDONJSA-N 457.000 4.282 50 10 JIGE C/C(=N\NC(=O)[C@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(C)cc1 575408850 BPKPAUYPDYETNR-SMSTYZTJSA-N 498.583 4.031 50 10 JIGE O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 1086980409 ZPGPMJFXJICRKG-UHFFFAOYSA-N 479.042 4.180 50 10 JIGE C/C(=C\c1c(Cl)cccc1Cl)C(=O)NNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1 1354033493 LJMPONUSVQSUGN-OUKQBFOZSA-N 456.370 4.191 50 10 JIGE CCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1cc(OC)c(OC)c(OC)c1)C(C#N)=C(N)O2 1865691775 ARXPINIBNJZYIQ-HXUWFJFHSA-N 466.925 4.332 50 10 JIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)cc2)cc(OC)c1OC 1865693633 XOPWNNBISNWVGJ-OAQYLSRUSA-N 466.925 4.137 50 10 JIGE N#CSc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc(-c3cccnc3)on2)cc1 1867166297 UCZAQIYLFBZIPV-NRFANRHFSA-N 469.526 4.290 50 10 JIGE CN(C[C@@H]1C[C@@H]1Br)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 1887909189 ZNNZXIPQUKUQOW-XPUUQOCRSA-N 451.995 4.160 50 10 JIGE O=C(NC1(C(=O)N[C@H]2C[C@H](Br)C2)CC1)OCC1c2ccccc2-c2ccccc21 1890630584 BXCMOEDOVVAZPC-SHTZXODSSA-N 455.352 4.100 50 10 JIGE O=C(O)C[C@H](Br)C(=O)c1c(Br)sc(Br)c1Cl 1923091884 UTJPVQZNOIIHEY-REOHCLBHSA-N 455.349 4.347 50 10 JIGE O=C(NCC1(F)CC(CBr)C1)c1cccc(Br)c1Br 2112252000 YJNIKRXSUCJEIC-UHFFFAOYSA-N 457.963 4.455 50 10 JIGE O=C(NC[C@@H](Br)CC(F)(F)F)c1ccc(I)c(Cl)c1 2119065868 IZQCXWDECQLANI-ZETCQYMHSA-N 470.454 4.390 50 10 JIGE O=S(=O)(c1cc(Cl)cc(CBr)c1Cl)N1CCN(Cc2ccccc2)CC1 2123270263 WEAZIXKFIHKMFP-UHFFFAOYSA-N 478.239 4.395 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2CC[C@H]2[C@H](C)Br)cc1Br 2125818127 MSCZSPSUTRCJCT-KWQFWETISA-N 476.028 4.066 50 10 JIGE O=S(=O)(c1csc(CBr)c1)N1CCN(Cc2ccccc2)C[C@H]1C(F)(F)F 2186715269 MMASAXDWFXFEBO-INIZCTEOSA-N 483.375 4.080 50 10 JIGE O=C(NC[C@@H]1CC[C@@H](CBr)CO1)c1cc(Br)cc(Br)c1 2279411222 UUXYAGKRYKOWTK-ZANVPECISA-N 469.999 4.132 50 10 JIGE COc1cccc(C=C(C#N)C(=O)Nc2cccc(C(=O)O)c2)c1OS(=O)(=O)c1ccc(C)cc1 2295187726 DAYIRSYDNSAAEM-UHFFFAOYSA-N 492.509 4.015 50 10 JIGE Cc1ccc(S(=O)(=O)C(C#N)=Cc2c(Oc3cccc(C)c3)nc3ccccn3c2=O)cc1 2296542818 XCVDDHIUQKSROP-UHFFFAOYSA-N 457.511 4.442 50 10 JIGE C[C@@H]1CCCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)[C@H]1CCBr 2364209922 XHYADQIGCRNISY-XLIONFOSSA-N 499.471 4.058 50 10 JIGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Cl)c(O)c(Br)c2)cc1 58893805 HVASTUIKCNAANT-FIJRTHIRSA-N 455.736 4.171 50 10 JIGE O=C(CSCc1ccccc1)N/N=C/c1cc(Br)cc(Br)c1O 59155857 OFPLUCKRQWLVSP-UFWORHAWSA-N 458.175 4.301 50 10 JIGE CCCCCOc1ccc(/C=C2\C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)cc1OCC 214329565 BWVHFNODSNRSBY-PLDFPGSMSA-N 452.551 4.426 50 10 JIGE N#C/C(=C/N1CCN(Cc2ccc3c(c2)OCO3)CC1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 217250615 WTJJMOHROZWSML-SSZFMOIBSA-N 492.885 4.251 50 10 JIGE C[C@H]1CC[C@H](Br)CN1C(=O)c1cc(I)ccc1Br 399434915 TWHOEDYMATXEIG-IUCAKERBSA-N 486.973 4.442 50 10 JIGE C[C@@H]1C[C@H](Br)CN(C(=O)c2cc(I)ccc2Br)C1 401966278 UUFOQBANCTZQJU-BDAKNGLRSA-N 486.973 4.299 50 10 JIGE CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(S(=O)(=O)C[C@@H]3CCCO3)cc2)c1C 731338231 RFGFWXUOEZSWOK-FGGAIWKESA-N 455.580 4.013 50 10 JIGE CCN(Cc1ccc(OC)cc1OC)C(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1 745843320 DESQAHBGVHISKX-JCMHNJIXSA-N 469.545 4.437 50 10 JIGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(C(C)C)cc2)Cc2ccccc2)cc1 1083990608 VVEIFPCORMXLIR-UHFFFAOYSA-N 463.603 4.460 50 10 JIGE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)Nc1ccc(Cl)cc1Cl 1448305201 VUZXDDDXUVHNPD-CYBMUJFWSA-N 451.738 4.182 50 10 JIGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1cc(OC)c(OC)c(OC)c1)C(C#N)=C(N)O2 1865693773 YTHFMLUOYMUBOG-QFIPXVFZSA-N 478.524 4.267 50 10 JIGE CC(C)(NC(=O)CCc1csc(-c2ccccn2)n1)C(=O)Nc1ccc(SC#N)cc1 1867052458 DYXLVTKTMHJVBR-UHFFFAOYSA-N 451.577 4.244 50 10 JIGE COCCCN1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccccc4OC)cs3)cc2C1=O 1872747207 SALIHXGWJYQJNM-QOCHGBHMSA-N 475.526 4.401 50 10 JIGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CC[C@@]2(CCC[C@H]2Br)C1 1918920600 JUJJAZIIHPHNJM-SKDRFNHKSA-N 463.644 4.492 50 10 JIGE CC(C)(C)OC(=O)NCC[S@@](=O)(=NC[C@@H](Br)C(F)(F)F)c1ccccc1 2107398523 ZRSDTTNURLEQIY-SRGMZFCMSA-N 459.328 4.364 50 10 JIGE CCN(C[C@@](C)(CI)OCCn1c(C)nc(C)c1C)C(=O)OC(C)(C)C 2128021049 GUYTVLHMZZLOGE-LJQANCHMSA-N 479.403 4.276 50 10 JIGE C[C@@]1(CBr)COCCN(Cc2ccc(Br)cc2Br)C1 2135088743 BNDJZMOZGUAMEJ-AWEZNQCLSA-N 456.016 4.445 50 10 JIGE CC1(C)CN(Cc2ccc(I)c(Cl)c2)C[C@@H](CBr)O1 2142943984 QDUDVOLXUNTSLT-LLVKDONJSA-N 458.565 4.319 50 10 JIGE O=C(NC[C@H]1CCCC[C@H]1CBr)c1cc(I)ccc1F 2169661811 HPNIUUCRDDPRBM-WDEREUQCSA-N 454.121 4.361 50 10 JIGE CN(C[C@H]1CCCCS1)S(=O)(=O)c1cc(CBr)sc1Br 2179792793 KTUYFPFVEMREQH-SECBINFHSA-N 463.282 4.312 50 10 JIGE O=C(c1c(F)cccc1I)N1[C@H](CBr)C[C@@H]2CCC[C@H]21 2282780649 QIXRQIPNHJYLAJ-OUJBWJOFSA-N 452.105 4.208 50 10 JIGE C[C@H](OC(=O)C(C#N)=Cc1ccc(N(C)C)cc1)C(=O)NC(c1ccccc1)c1ccccc1 2297362951 KGNZIBKXQOKZPI-FQEVSTJZSA-N 453.542 4.497 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@](CI)(O[C@H]2CC[C@@H]3[C@H]2C3(F)F)C1 2298201406 AIFZPRATUYYZAJ-OQMKEHIESA-N 457.299 4.251 50 10 JIGE CCCOc1ccccc1C=C(C#N)C(=O)Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1 2314774122 UJFRJKGOAADVMQ-UHFFFAOYSA-N 480.546 4.427 50 10 JIGE CSCC[C@H](NC(=O)C(C#N)=CNc1ccc(-c2nc3ccc(C)cc3s2)cc1)C(=O)O 2325031483 MPCUPAWVRHMLTH-IBGZPJMESA-N 466.588 4.414 50 10 JIGE COc1cc(-c2n[nH]c3c2[C@H](c2cccc(Br)c2)C(C#N)=C(N)O3)cc(OC)c1OC 8410125 BZNBGKDIYWOXRA-QGZVFWFLSA-N 483.322 4.083 50 10 JIGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)c(Br)c1 13979164 RWADNSOZGORZML-UHFFFAOYSA-N 492.439 4.024 50 10 JIGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)c1 38687303 NNSCESRMSZTEAZ-DEOSSOPVSA-N 466.449 4.239 50 10 JIGE COc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc([N+](=O)[O-])cc2)CCC3)c(OC)c1 40812209 JPSQLTWJAOZNDU-ZXVVBBHZSA-N 492.488 4.236 50 10 JIGE Cc1ccccc1C(=O)Nc1ccc(C(=O)N/N=C/c2cc(Cl)cc([N+](=O)[O-])c2O)cc1 97729957 IFVZKULBSYMTMY-WYMPLXKRSA-N 452.854 4.278 50 10 JIGE CCOc1ccccc1C=NNC(=O)CCCCCCC(=O)NN=Cc1ccccc1OCC 254289338 FQTCFRPNPKOPLS-UHFFFAOYSA-N 466.582 4.425 50 10 JIGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@@H](Br)C2=O 256019865 JLVJLYOIUWPWNF-VUCTXSBTSA-N 474.149 4.455 50 10 JIGE CC[C@@H]1CN(C(=O)c2ccc(I)c(Br)c2)C[C@@H]1Br 721615012 QODYKEVJWKVQTA-KCJUWKMLSA-N 486.973 4.299 50 10 JIGE CC(=O)CCc1ccc(O[C@H](C)C(=O)NNc2nnc(-c3ccccc3)n2-c2ccccc2)cc1 745187251 CXYACVUGKQBPLR-HXUWFJFHSA-N 469.545 4.367 50 10 JIGE CCOC(=O)COc1c(Cl)cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1Cl 1083885875 AJARDAJZPGQLIP-FQEVSTJZSA-N 497.375 4.298 50 10 JIGE O=C(COc1ccc([N+](=O)[O-])cc1)NN=Cc1cccc(OCc2cccc(Br)c2)c1 1084182390 HDKALOHAECKWBS-UHFFFAOYSA-N 484.306 4.465 50 10 JIGE CC(=O)N1CCc2c(NC(=O)NNc3cccc(OC(F)F)c3Br)cccc21 1669123875 CXBLVJYNLUSDAD-UHFFFAOYSA-N 455.259 4.108 50 10 JIGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(OC)c1)C(C#N)=C(N)O2 1865706545 ZBEITAFYRCLQPN-OAQYLSRUSA-N 450.926 4.470 50 10 JIGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2C[C@@H]2c2ccccc2)cc1 1867051028 VQBLMPBYNIWPOL-SMIHKQSGSA-N 457.555 4.435 50 10 JIGE O=C(N[C@H](CBr)C(F)(F)F)c1scc(Br)c1Br 1942827858 FJOIJUMGWHLIRR-SCSAIBSYSA-N 459.907 4.329 50 10 JIGE CC[C@@H]1CCOC[C@@H]1O[C@]1(CI)CCCN(C(=O)OC(C)(C)C)C1 1947168672 KBBUTEJIIZEUGU-VKJFTORMSA-N 453.361 4.023 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CCCC12CN(C(=O)OC(C)(C)C)C2 1985350321 OMPTZYHQWCDBJO-INIZCTEOSA-N 461.694 4.272 50 10 JIGE CN(C[C@@H](Br)COCc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1F 2057408510 TYIQBAUMAHKYQV-CQSZACIVSA-N 450.757 4.080 50 10 JIGE O=C(c1cc(Br)ccc1Br)N1C[C@@H](CBr)C2(CC2)C1 2087792995 QWBDCBNLYAYDNB-SECBINFHSA-N 451.984 4.459 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@H]2[C@@H](Cl)CC[C@H]2C1 2087940582 KWXPQZUZSKROFA-KDDOJWQBSA-N 454.533 4.143 50 10 JIGE O=S(=O)(c1ccc(CBr)cc1Cl)N1CC[C@H](COCc2ccccc2)C1 2123209760 JFHOCSYEAQGUCM-KRWDZBQOSA-N 458.805 4.462 50 10 JIGE O=C(N[C@@H]1CC[C@H]2C[C@@]21CBr)c1ccc(I)c(Br)c1 2132106093 KFSWHTSZBFFQFN-MRCXROJRSA-N 498.984 4.347 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CC2(CC(CCl)C2)C1 2142278541 DVKTUKZQUGSHSK-UHFFFAOYSA-N 454.533 4.145 50 10 JIGE Cc1ccc(S(=O)(=O)N2CCC[C@H](N(C)Cc3ccccc3)C2)cc1CBr 2179785495 NIDNAXUQABDCCW-FQEVSTJZSA-N 451.430 4.175 50 10 JIGE C[C@H]1CN(S(=O)(=O)Cc2ccc(CBr)cc2)[C@H](C)CN1Cc1ccccc1 2179789386 PWGDKKJGKXIORQ-ZWKOTPCHSA-N 451.430 4.006 50 10 JIGE Cc1nn(CCBr)c(C)c1S(=O)(=O)N(Cc1ccccc1)C1CCCCC1 2179859541 FSGXRDKPTIPJMV-UHFFFAOYSA-N 454.434 4.418 50 10 JIGE CC(C)(C)[C@H]1[C@H](Br)CCN1C(=O)c1cccc(F)c1I 2185103055 LMEOGLOFEYSBIJ-ZWNOBZJWSA-N 454.121 4.454 50 10 JIGE COc1ccc([C@@H](Br)c2cnn(C)c2Br)cc1I 2257370053 YQMIXDCEXBZUGA-LLVKDONJSA-N 485.945 4.280 50 10 JIGE Cc1cc(C)c(N2C(=O)NC(=O)C(=Cc3ccc4c(c3)CCN4CCCCl)C2=O)c(C)c1 2296144724 DPRGUZJLHSLJBX-UHFFFAOYSA-N 451.954 4.270 50 10 JIGE COCCN1C(=O)C(=Cc2ccc(OCc3ccccc3Cl)c(OC)c2)C(C)=C(C#N)C1=O 2314618367 MBLUSCJFWWIXRH-UHFFFAOYSA-N 466.921 4.166 50 10 JIGE C[C@@H]1[C@H](C(F)(F)F)N(C[C@@]2(CBr)CC2(F)F)CCN1C(=O)OC(C)(C)C 2351892828 UUVXYSPFJJEWMG-GYSYKLTISA-N 451.274 4.279 50 10 JIGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4C)ccc32)c1OC 38658769 AJISTUUYUKMODS-VWLOTQADSA-N 472.497 4.215 50 10 JIGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc32)c1 38659995 ZSGHXHINSIBIKS-QHCPKHFHSA-N 473.441 4.049 50 10 JIGE Nc1c(NNC(=O)COc2ccc(Cl)cc2Cl)ncnc1Nc1cccc(Cl)c1 40781808 BOLWQPHSMLSWIN-UHFFFAOYSA-N 453.717 4.285 50 10 JIGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1ccccc1C 40870070 USGACXFWFQAOJH-HYARGMPZSA-N 456.498 4.211 50 10 JIGE N#C/C(=C(/OCC(=O)c1ccc(Br)cc1)C(F)(F)F)c1nnc2n1CCCCC2 96836841 GFNAQAUSOAOLGC-VKAVYKQESA-N 469.261 4.463 50 10 JIGE COc1ccc(CN(C(=O)CCl)[C@H](C(=O)NC2CCCCC2)c2ccc(OC)cc2)cc1 97914308 RXFNJMPSVQBLES-DEOSSOPVSA-N 458.986 4.461 50 10 JIGE N#C/C(C(=O)NCc1ccccc1)=C1\N=C(NC(=O)c2cccc(Br)c2)c2ccccc21 102985007 UYOGMRIVYCAPCH-QURGRASLSA-N 485.341 4.190 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2CCC(Br)CC2)cc1Br 158639744 UBLZXUNIBBZLRV-UHFFFAOYSA-N 476.028 4.068 50 10 JIGE COc1ccc(C=NNC(=O)c2cc(-c3cccc(OCc4ccccc4)c3)n[nH]2)cc1OC 254428884 PMDISASAJQBFSR-UHFFFAOYSA-N 456.502 4.437 50 10 JIGE Cc1ccc(COc2ccc(Br)cc2-c2nc3ccc(C(=O)NN)cc3[nH]2)cc1 256047532 MZIXTOMESYQEBO-UHFFFAOYSA-N 451.324 4.483 50 10 JIGE C[C@@H](Br)c1cnnn1-c1cc(I)ccc1Br 309440613 NXTLASBGSKJJIA-ZCFIWIBFSA-N 456.907 4.090 50 10 JIGE Cc1c(Br)cc(CCl)cc1S(=O)(=O)N1CCN(Cc2ccccc2)[C@@H](C)C1 396383087 QIDLRASKQXBVJG-HNNXBMFYSA-N 471.848 4.391 50 10 JIGE O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C1/C(=O)N(Cc2ccccc2)c2ccccc21 606656026 VHYKOOLWURVJRD-VEWQFJOQSA-N 486.531 4.222 50 10 JIGE C=C(Cl)CSc1nc(C)c(CC(=O)NNC(=S)Nc2ccc(OCC)cc2)s1 1540373033 PZNHTWMZXPRZDN-UHFFFAOYSA-N 457.046 4.255 50 10 JIGE CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NNc1c(Cl)cc(Br)cc1Cl 1566091944 UHGAFNSBXQOSJP-MRXNPFEDSA-N 457.155 4.172 50 10 JIGE COc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)N3CCc4ccccc4C3)c(C)c21 1772745613 CWBXAPSTPBKYGW-UHFFFAOYSA-N 457.530 4.266 50 10 JIGE Cc1c(C(=O)N2CCc3ccccc3C2)oc2c1C(=NNC(=O)COc1ccccc1)CCC2 1772748545 AUGMIMAUEBBTDQ-UHFFFAOYSA-N 457.530 4.022 50 10 JIGE N#Cc1c(NC(=O)COc2cccnc2NC(=O)Oc2ccc([N+](=O)[O-])cc2)sc2c1CCC2 1858686404 XSJDSGQQGULJBQ-UHFFFAOYSA-N 479.474 4.040 50 10 JIGE CCOC(=O)c1ccc(NC(=O)COc2cccnc2NC(=O)Nc2ccc(SC#N)cc2)cc1 1858830902 FOARSAMFSGXXKC-UHFFFAOYSA-N 491.529 4.493 50 10 JIGE COc1ccc(OC)c2[nH]c(C(=O)N3CCN(C(=O)CCCC[C@H]4CCSS4)CC3)cc12 1860191786 DYSNRTBFQFBYGB-INIZCTEOSA-N 477.652 4.184 50 10 JIGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)ccc1O 1865706006 LPMFBATZWLKMND-KRWDZBQOSA-N 460.387 4.022 50 10 JIGE CN(C[C@H](Br)COCc1ccccc1)C(=O)c1cc(Br)ccc1O 1916389636 VNKJINAJKBHMDP-HNNXBMFYSA-N 457.162 4.207 50 10 JIGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)c1cc(Br)ccc1O 1916389637 VNKJINAJKBHMDP-OAHLLOKOSA-N 457.162 4.207 50 10 JIGE COCCN(Cc1ccccc1)S(=O)(=O)c1cc(CBr)sc1Br 1984648420 CZCUCAQSMOUDHL-UHFFFAOYSA-N 483.247 4.243 50 10 JIGE C[C@H]1C[C@H](Br)[C@H](C)CN1c1ncc(I)cc1Br 2015767202 OASBTUUQKYGLPL-WEDXCCLWSA-N 473.978 4.447 50 10 JIGE CCN1CC[C@@H]([C@@H](Br)c2cc(Br)c(Br)s2)S1(=O)=O 2029056866 AWBUMYHVVJOWCU-IUCAKERBSA-N 482.057 4.133 50 10 JIGE C[C@@H]1C[C@H](CBr)CN1C(=O)c1ccc(I)c(Br)c1 2038874202 OCGILCKIBNSRKX-RKDXNWHRSA-N 486.973 4.299 50 10 JIGE O=C(CBr)c1ccc(Br)c(Br)c1I 2054856886 YNQBLGIGAYKWRC-UHFFFAOYSA-N 482.735 4.394 50 10 JIGE O=C(CCl)c1cc(I)cc(C(F)F)c1I 2060383671 DVFBJVGFOLIQBY-UHFFFAOYSA-N 456.395 4.255 50 10 JIGE CCN(C[C@@](C)(CI)OC1CC(n2ccnc2)C1)C(=O)OC(C)(C)C 2063779803 MDTCLFYPVFWJGJ-JTTJXQCZSA-N 463.360 4.054 50 10 JIGE Cc1cccc(C(=O)N2CC(F)(F)C[C@]2(C)CBr)c1I 2159048111 AXZXWVQHRLBMQX-CYBMUJFWSA-N 458.084 4.234 50 10 JIGE CC[C@@]1(CBr)COCCN1C(=O)c1cc(Br)cc(Br)c1 2169033106 MSTFDCMJYGTEHX-CQSZACIVSA-N 469.999 4.228 50 10 JIGE CN([C@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)Cc1cccc(CBr)c1 2179785838 RHZHASKLDKGRFW-NRFANRHFSA-N 451.430 4.008 50 10 JIGE C[C@@]12CN(Cc3ccccc3)C[C@@]1(C)CN(S(=O)(=O)c1csc(CBr)c1)C2 2179817415 PKHRVNWNWPALNS-PMACEKPBSA-N 469.470 4.176 50 10 JIGE CN(CC1CC(Br)C1)C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@]1(C)C(F)(F)F 2196906911 KVYYTASAOHQLQH-MFGDRVGDSA-N 457.331 4.054 50 10 JIGE CN(C[C@H]1C[C@@H](Br)C1)C(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@]1(C)C(F)(F)F 2196914188 KVYYTASAOHQLQH-ZHRONYKTSA-N 457.331 4.054 50 10 JIGE COc1ccc(N2N=C(C)C(=C(C)NNC(=O)C(c3ccccc3)c3ccccc3)C2=O)cc1 2313681658 KHIRQZIBSFDYRC-UHFFFAOYSA-N 454.530 4.145 50 10 JIGE COc1cc(C=C2C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 2314618520 OYHNXOGTJUKCQP-JOCHJYFZSA-N 472.541 4.354 50 10 JIGE O=C(N[C@H]1C[C@@H](CCl)[C@H]2C[C@@H]12)c1cc(Br)ccc1I 2329875469 VDBRKQMWGDNDLX-YTDXRRJTSA-N 454.533 4.047 50 10 JIGE CC(C)COc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2C(C)C)cc1 9231646 NVRSRKVPQKGYHK-UHFFFAOYSA-N 463.372 4.447 50 10 JIGE CC[C@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)c1 10672529 WVQMJZUSDWUSHF-DLBZAZTESA-N 465.575 4.120 50 10 JIGE CCCCCCOc1ccc(C(=O)NNC(=O)COc2ccc(OC)cc2)cc1Br 14640626 JMBHWKVXOQMLKM-UHFFFAOYSA-N 479.371 4.257 50 10 JIGE CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)C2CCCCC2)cc1Br 14646008 IAVDGBJDGJFRQL-UHFFFAOYSA-N 470.433 4.090 50 10 JIGE CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)ccc1O 20175745 SNOFNZXSBOQJBZ-DHRITJCHSA-N 482.880 4.369 50 10 JIGE COc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C(\C#N)C(=O)Nc1cccc(C)c1 39993092 QTBPAQXWJHCTEH-OBGWFSINSA-N 452.470 4.350 50 10 JIGE COCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)C1=O 101335558 RLSCQYOFWNWKFB-HZHRSRAPSA-N 470.504 4.307 50 10 JIGE O=S1(=O)CC[C@H](C(CBr)(CBr)Cc2cccc(Br)c2)C1 118875419 CTJNBDMDNMLRMR-LBPRGKRZSA-N 489.067 4.203 50 10 JIGE COc1ccc(CC(=O)NN=Cc2ccc(OC)c(COc3ccc([N+](=O)[O-])c(C)c3)c2)cc1 252617219 KOPVJPOQGMJSBQ-UHFFFAOYSA-N 463.490 4.192 50 10 JIGE Cn1ncc([C@@H](Cl)c2cc(Br)cc3c2OCC3)c1I 394364005 QYYICHQVGRTRSX-NSHDSACASA-N 453.505 4.050 50 10 JIGE N#CSc1ccc(NC(=O)c2cccc(NC(=O)N3CCN(c4ccccn4)CC3)c2)cc1 586669864 MXLNADOVAWRCID-UHFFFAOYSA-N 458.547 4.261 50 10 JIGE O=C(NNC(=O)[C@@H]1C[C@H]1c1cccc2ccccc12)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 730770255 DLQCDHMRCKDNPH-IZZNHLLZSA-N 488.551 4.106 50 10 JIGE Cc1ccc(S(=O)(=O)Oc2ccc(C=NNC(=O)c3ccc(Br)cc3)cc2)cc1 1084493668 FIDGULXVJIMBKI-UHFFFAOYSA-N 473.348 4.289 50 10 JIGE C=CCn1c(SCC(=O)NNc2ccc(F)cn2)nnc1-c1ccc(Cl)cc1Cl 1471713271 MHEWXLATIRLCKN-UHFFFAOYSA-N 453.330 4.207 50 10 JIGE CC(C)CSc1ccc(C(=O)NNC(=O)c2ccc(I)cc2)cc1 1865758113 JSKFEJFBYLNTNY-UHFFFAOYSA-N 454.333 4.114 50 10 JIGE COC(=O)c1c(NC(=O)[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)sc(/C(C)=C/C#N)c1C 1873427058 FXDFWZWEGWFOSD-NQKFPNJCSA-N 451.548 4.318 50 10 JIGE C[C@@H](Br)CCCN(C)c1ncc(I)cc1Br 1899922228 GEYCWQQKFDZGPS-MRVPVSSYSA-N 461.967 4.449 50 10 JIGE COc1cccc(C[C@H](Br)CN2C(=O)c3ccccc3C2=O)c1Br 1906804034 WTQGFJBSFPGMGJ-LBPRGKRZSA-N 453.130 4.060 50 10 JIGE CN(Cc1nccn1Cc1ccccc1)S(=O)(=O)c1ccc(CCl)cc1Br 1915040870 WOQOYDLJJFYWTG-UHFFFAOYSA-N 468.804 4.253 50 10 JIGE O=C(N[C@@H](CBr)C[C@@H]1CCCO1)c1cccc(Br)c1Br 1926727489 JQHYVSCKHDIRJX-ZJUUUORDSA-N 469.999 4.274 50 10 JIGE O=C(CBr)Nc1cc(Br)c(Br)c(Br)c1 1931651437 XGIRCIRCHROLCR-UHFFFAOYSA-N 450.750 4.308 50 10 JIGE O=S(=O)([C@H]1C[C@H](OCc2ccccc2)C1)N(CCCBr)Cc1ccccc1 1954526994 PIIOZUPXDUFEHE-MEMLXQNLSA-N 452.414 4.351 50 10 JIGE CCOc1ccc(C(=O)CBr)c(I)c1OC(F)(F)F 2055090328 UYRSOSGFCBKAJO-UHFFFAOYSA-N 452.992 4.166 50 10 JIGE O=C(CCl)c1cc(I)c(I)cc1C(F)F 2060380414 FMKOJZRCAHXQGV-UHFFFAOYSA-N 456.395 4.255 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@H]2[C@H](Cl)CC[C@H]2C1 2087941849 WWHICYXXAHLETP-XXILOJSOSA-N 454.533 4.143 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CC[C@@H]2[C@H](CCl)[C@@H]2C1 2093140189 KWXFLNGMCOPPAN-ADEWGFFLSA-N 454.533 4.001 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CCC[C@@](F)(CCl)C1 2101309028 WLHGHJQPMLJZHL-CYBMUJFWSA-N 460.512 4.237 50 10 JIGE Brc1ccc(CN2CC3(C2)OCCC[C@@H]3Br)c(Br)c1 2103421772 FOCFLLMAAWMCMN-ZDUSSCGKSA-N 454.000 4.340 50 10 JIGE CC1(C)C[C@@H](Br)CCN1S(=O)(=O)c1cc(Cl)c(Br)s1 2113572608 PEFBSLJIXDZREN-ZETCQYMHSA-N 451.633 4.491 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1C[C@H]2C[C@@H](Br)C[C@H]2C1 2128631021 JISSYNSBXMKMCZ-ILWJIGKKSA-N 454.533 4.190 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@@H]2CC(Cl)C[C@H]2C1 2128646973 VTJWWZNTEFMTJO-IUCAKERBSA-N 454.533 4.143 50 10 JIGE O=S(=O)(NC1(C(F)(F)F)CCC(Br)CC1)[C@H]1C[C@H](OCc2ccccc2)C1 2161299337 XOKHVWJSMAIBSD-JLYIEGTKSA-N 470.351 4.292 50 10 JIGE Cc1c(CBr)cccc1S(=O)(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 2179778884 HIHMQOSFFSLJEY-HXUWFJFHSA-N 451.430 4.175 50 10 JIGE C[C@@H]1CN(S(=O)(=O)c2cc(F)ccc2CBr)[C@H](C)CN1Cc1ccccc1 2179785180 IPUZKIXOXHMGQL-HZPDHXFCSA-N 455.393 4.004 50 10 JIGE O=S(=O)(Cc1ccc(CBr)cc1)N1CCCN(Cc2ccccc2)CCC1 2179787163 KUZXNMTZIADLAD-UHFFFAOYSA-N 451.430 4.009 50 10 JIGE Cc1oc(C)c(S(=O)(=O)N(Cc2ccccc2)CC2CCOCC2)c1CBr 2179789697 UPAZAEYLINAQRN-UHFFFAOYSA-N 456.402 4.409 50 10 JIGE CN(C)CCCN(Cc1ccccc1)S(=O)(=O)c1cc(CBr)cc(F)c1F 2179860316 PXXNQBOFZZSVSV-UHFFFAOYSA-N 461.372 4.002 50 10 JIGE CC[C@@H](Br)CN(Cc1ccccc1)S(=O)(=O)Cc1ncsc1Br 2210633242 WKUPYPUCEDLLLR-CYBMUJFWSA-N 482.263 4.411 50 10 JIGE Cc1cc(Br)cc(CBr)c1OCc1nn(C)nc1Br 2226984652 IPTXRWZEKAQNIU-UHFFFAOYSA-N 453.960 4.122 50 10 JIGE C=CC[C@@H](CBr)CNC(=O)Cc1cc(Br)cc(Br)c1 2277927878 NGBOORWTWKCLGM-JTQLQIEISA-N 454.000 4.458 50 10 JIGE COc1cc(C=C(C#N)c2ccccc2OC)ccc1OC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O 2320506069 AZHKLAWIWLZQHS-KRWDZBQOSA-N 482.492 4.358 50 10 JIGE COc1cc(C=C2Oc3c(ccc(OC(=O)C(Cl)Cl)c3C)C2=O)cc(OC)c1OC 2323756346 JHCWHWUEOPEERA-UHFFFAOYSA-N 453.274 4.346 50 10 JIGE COc1ccc(C=C(C#N)C(=O)N[C@@H]2CCCc3c2c(C)nn3Cc2ccccc2)cc1OC 2329700989 IYJCSYYBDIJTCN-JOCHJYFZSA-N 456.546 4.358 50 10 JIGE O=C(N[C@H]1C[C@H](CCl)[C@H]2C[C@@H]12)c1ccc(I)c(Br)c1 2329872482 ZPVXUNBQXUXRCD-PRFIWBCESA-N 454.533 4.047 50 10 JIGE C[C@H]1CN(C(=O)c2ccc(Cl)cc2I)CC[C@@H]1CBr 2340068682 PYGJWZGHHBKENH-VHSXEESVSA-N 456.549 4.438 50 10 JIGE Clc1ccc(CN2[C@H](CBr)C[C@H]3OCC[C@H]32)c(I)c1 2341032774 PDHFWANYOTZJHC-IACUBPJLSA-N 456.549 4.071 50 10 JIGE ClC[C@@H]1C[C@H]2OCC[C@H]2N1Cc1ccc(I)c(Br)c1 2349837884 XRSMHFLCEVWUDO-ZLKJLUDKSA-N 456.549 4.024 50 10 JIGE Cc1ccc(-n2cnc3c(I)ncnc32)c(CBr)c1Cl 2360719421 NGMVQBROEDPWKA-UHFFFAOYSA-N 463.504 4.277 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@@]2(CBr)CC[C@H]1C2 2361633249 SEZAZYSQZNXNAX-GWCFXTLKSA-N 488.039 4.150 50 10 JIGE Cc1ccc(C)c(O[C@H](C)C(=O)NNC(=O)COc2ccc(C(C)C)cc2Br)c1 14008719 YFUCATJJFHKFHB-MRXNPFEDSA-N 463.372 4.183 50 10 JIGE O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1CCN(C(=O)[C@H](Cl)c2ccccc2)CC1)c1ccccc1 34899636 AHLUBJISZPZLTO-WXFUMESZSA-N 482.024 4.063 50 10 JIGE COc1ccc(Nc2ncnc(NNC(=O)C(c3ccccc3)c3ccccc3)c2N)c(OC)c1 40754567 XBMNMXHKVMNKJJ-UHFFFAOYSA-N 470.533 4.095 50 10 JIGE Cc1cccc2sc(Nc3ncnc(NNC(=O)c4ccccc4Br)c3N)nc12 40783476 LZKSWOODENTNKN-UHFFFAOYSA-N 470.356 4.240 50 10 JIGE CCOC(=O)c1sc(NC(=O)N/N=C/c2ccc(N(CC)CC)cc2)c(C(=O)OCC)c1C 40840252 PRXCMRIVXGVRIP-ZVHZXABRSA-N 474.583 4.412 50 10 JIGE COc1cc2ccccc2cc1C(=O)N/N=C1\C(=O)N(CCOc2ccccc2)c2ccccc21 59166570 UHEZGYDVACYBRP-WCTVFOPTSA-N 465.509 4.408 50 10 JIGE CCN(CC)Cc1ccc(C(=O)NNC(=O)COc2cc3sc(C)nc3c3sccc23)o1 109421731 CJXYFMDOMGSIAZ-UHFFFAOYSA-N 472.592 4.094 50 10 JIGE CCOC(=O)c1c(NC(=O)NN=Cc2ccc(O)c(Br)c2)sc2c1CCC2 256017562 SNSIUAIXKNZEBH-UHFFFAOYSA-N 452.330 4.037 50 10 JIGE COc1cc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)ccc1O 382705495 FICZMRRFHIPFLZ-SJORKVTESA-N 467.303 4.188 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N[C@H](C)C2(CBr)CC2)cc1Br 696078903 IIKMCCLVMGCXMS-SECBINFHSA-N 490.055 4.362 50 10 JIGE C[C@@H](Cc1ccc(Br)cc1)NC(=O)NNC(=O)c1ccc(Br)cc1Cl 728948902 JTDXWYPNYNIWMW-JTQLQIEISA-N 489.595 4.440 50 10 JIGE N#CCCn1cc(/C=C(/C#N)C(=O)N2CCN(Cc3ccccc3)CC2)c(-c2ccc(Cl)cc2)n1 818781868 GRWZTYLWLKNPLC-QJOMJCCJSA-N 484.991 4.369 50 10 JIGE CCc1nn(C)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)c(OC)c1)C(C#N)=C(N)O2 1865701274 RCWSNXXXGSEGDS-NRFANRHFSA-N 450.926 4.442 50 10 JIGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)CNS(=O)(=O)c3ccc(C)cc3)n2)cc1 1872747671 OJRZBTNCPCBXJZ-VZCXRCSSSA-N 455.561 4.288 50 10 JIGE COC(=O)c1ccccc1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1=O 1873940909 MREKLZIQZYUWKO-YUCJCZDXSA-N 490.497 4.351 50 10 JIGE C[C@@H]1OC[C@H](Br)[C@@H]1Cc1ccc(I)c(Br)c1 1904327773 ANVAUQYOYUIQGK-NMLBEHRDSA-N 459.947 4.395 50 10 JIGE O=S(=O)(N[C@@H]1CC[C@@H](CBr)C1)c1cc(Br)ccc1Br 2090015093 RTHPASKTFRFZGZ-PSASIEDQSA-N 476.028 4.054 50 10 JIGE O=C(N[C@@H]1CC[C@H]2C[C@]21CCl)c1cc(Br)ccc1I 2132110010 BHBBBMOBDIMQJS-PELMWDNLSA-N 454.533 4.191 50 10 JIGE CO[C@@]1(CBr)CCCN(C(=O)c2cccc(Br)c2Br)C1 2148748796 FNKRIVFVGPWQNT-CQSZACIVSA-N 469.999 4.228 50 10 JIGE COc1ccc([C@@H](Br)c2cc(Br)n(C)n2)c(OC)c1Br 2150479241 ULVVNEIWPMEAKE-LLVKDONJSA-N 468.971 4.447 50 10 JIGE CC(C)(C)[C@@H]1C[C@H](CBr)CN(C(=O)c2cc(I)sn2)C1 2176540947 XCCMBNABKAVSFQ-NXEZZACHSA-N 471.202 4.267 50 10 JIGE Cc1oc(CBr)cc1S(=O)(=O)N1CCCN(Cc2ccccc2)C(C)(C)C1 2193724853 KUPWJJFIGKRVSU-UHFFFAOYSA-N 455.418 4.158 50 10 JIGE CCCN1CC[C@H]([C@H](Cl)c2ccc(Br)cc2I)S1(=O)=O 2207268876 OBEFXBHJXLPIBJ-CHWSQXEVSA-N 492.604 4.148 50 10 JIGE Cc1cc2nc(CCl)n(-c3cnn(C)c3I)c2cc1Br 2280051562 OUHDJTCGYAPRRN-UHFFFAOYSA-N 465.520 4.173 50 10 JIGE CC1(C)CN(C(=O)c2c(F)cccc2I)C[C@H]1CCBr 2282769775 ASNJNYAVBHHYHI-SNVBAGLBSA-N 454.121 4.314 50 10 JIGE COc1cc(C=NNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)ccc1OCc1ccc(C)cc1 2328799261 XUNFEQNEXYQSCU-NRFANRHFSA-N 467.566 4.432 50 10 JIGE CN(CCn1cc(Br)cn1)c1cc(Br)ccc1CBr 2336389126 HYIFIUYFDLQNAC-UHFFFAOYSA-N 451.988 4.439 50 10 JIGE CC1(C)[C@@H](CBr)OCCN1Cc1ccc(Cl)cc1I 2341058188 CGFSRIWYDWIHHH-CYBMUJFWSA-N 458.565 4.319 50 10 JIGE Cl[C@H]1[C@H](NCc2ccc(I)c(Br)c2)COC12CCC2 2349857544 NZVOYXZQANJKON-OLZOCXBDSA-N 456.549 4.072 50 10 JIGE C[C@@H]1CN(Cc2ccc(I)c(Br)c2)C[C@H](CCCl)O1 2349861026 JVRBIWQAROZMFC-PWSUYJOCSA-N 458.565 4.272 50 10 JIGE O=C(c1csc(Br)c1Br)N1CCCN(CCCBr)CC1 2366449666 BSNIZJAQRWOOPH-UHFFFAOYSA-N 489.071 4.206 50 10 JIGE Cc1cc2c(c(=O)n1CCc1ccc(O)c(O)c1)[C@@H](c1ccc(C(C)C)cc1)C(C#N)=C(N)O2 2351461 PKGVCLIUYZORAU-DEOSSOPVSA-N 457.530 4.152 50 10 JIGE C/C(=N\NC(=O)[C@H](CSCc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(C)cc1 8386178 OBWHHWHEYSEIPZ-ISNDEZQZSA-N 490.585 4.475 50 10 JIGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)cc1 10154122 BCWHTKVMIBLFBY-LJQANCHMSA-N 471.623 4.366 50 10 JIGE CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccccc1I 20177070 RSYHQMLJAGPRKN-VXLYETTFSA-N 473.108 4.216 50 10 JIGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C)C(=O)C(C#N)=C2C)cc1C 38602904 NKGIHYJWLIFRDE-HYARGMPZSA-N 452.514 4.469 50 10 JIGE CCOC(=O)COc1c(Cl)cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1Cl 58893918 AJARDAJZPGQLIP-ZASBYKKMSA-N 497.375 4.298 50 10 JIGE O=C(N/N=C/c1cc(Br)cc(Br)c1O)C(F)(F)C(F)(F)C(F)(F)F 59152668 OBXQLTGHIFEYJN-WSVFEZOKSA-N 489.967 4.200 50 10 JIGE CC(=NNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C)cc1)c1cccc([N+](=O)[O-])c1 254485464 YAESWQYLRYSUKY-UHFFFAOYSA-N 487.541 4.235 50 10 JIGE CCn1c(SCC(=O)NN=C/C=C\c2ccccc2[N+](=O)[O-])nnc1-c1ccc(C)cc1 254496600 DEOHZSOTYANGBG-BPKGOOPWSA-N 450.524 4.089 50 10 JIGE O=C(CCl)c1c(I)ccc(I)c1Br 575685357 FJFIUPWWBQZWHR-UHFFFAOYSA-N 485.284 4.080 50 10 JIGE C[C@@H]1CN(C(=O)c2cc(Br)ccc2I)C[C@@H]1CBr 709091732 ZSMRMKORELHQEW-BDAKNGLRSA-N 486.973 4.157 50 10 JIGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cccc(Cl)c2)c2ccccc2F)cc1 725402388 FLBTXNZMWOIWCO-UHFFFAOYSA-N 459.930 4.133 50 10 JIGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(I)c1OCC 725417038 ACSCHYSTAHHAKJ-GOSISDBHSA-N 496.345 4.053 50 10 JIGE Cc1ccc(NC(=O)COC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)cc1F 761380518 AVABTEGQHSQCHN-XDHOZWIPSA-N 457.465 4.000 50 10 JIGE COc1cc(C=NNC(=O)COc2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1ccncc1 915906043 DUPUTRIOFFMJOM-UHFFFAOYSA-N 461.518 4.136 50 10 JIGE Cc1cc(Br)cc(Br)c1OCC(=O)NN=Cc1ccc(N(C)C)cc1 1084359217 UCPHQZUUBQVZQP-UHFFFAOYSA-N 469.177 4.115 50 10 JIGE Cc1ccccc1OCC(=O)NN=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 1084600457 COHAZIDRTZJZBI-UHFFFAOYSA-N 450.407 4.133 50 10 JIGE Cc1ccc(NC(=O)COc2cccnc2NC(=O)Oc2ccc([N+](=O)[O-])cc2F)c(C)c1 1858680896 RUXZNSJLMNUZMB-UHFFFAOYSA-N 454.414 4.374 50 10 JIGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@@H](CBr)CC1CCCCC1 1926788304 YWXMECFKFQRICW-GOSISDBHSA-N 499.471 4.106 50 10 JIGE CC(C)OC(C)(C)COC1(CI)CCN(C(=O)OC(C)(C)C)CC1 2015767432 OWPRMCSTKFXBPS-UHFFFAOYSA-N 455.377 4.411 50 10 JIGE O=C(CBr)c1cc(C(F)(F)F)cc(OC(F)F)c1I 2060377579 SENOVNNFSWKAIT-UHFFFAOYSA-N 458.946 4.489 50 10 JIGE COCCn1c(CBr)nnc1-c1c(Br)cccc1Br 2094097974 KOXGLADHNDYSQE-UHFFFAOYSA-N 453.960 4.011 50 10 JIGE O=S1(=O)CC[C@H]([C@H](CBr)Cc2cc(Br)ccc2Br)C1 2118525010 PLKGMGDXDIWBCG-ONGXEEELSA-N 475.040 4.200 50 10 JIGE CN(C[C@H](Br)COCc1ccccc1)S(=O)(=O)c1cc(Cl)c(F)cc1F 2121055371 RFCXUZHWUAVBTB-ZDUSSCGKSA-N 468.747 4.219 50 10 JIGE C[C@]1(CBr)COCCN(C(=O)c2cc(Br)c(Br)s2)C1 2135078499 UAONEINYJBFNPM-GFCCVEGCSA-N 476.028 4.147 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@H](C2CC2)[C@@H](Br)C1 2142278643 GEDOUWDEAOIGIR-NEPJUHHUSA-N 498.984 4.299 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N[C@@H](CBr)CC2CC2)cc1Br 2146591743 RYUDXXLGMUTZEH-SNVBAGLBSA-N 490.055 4.362 50 10 JIGE O=C(c1ccc(F)cc1I)N1CCC2(CC1)C[C@H]2CBr 2148911077 WTAZDTNNDUMUSI-JTQLQIEISA-N 452.105 4.068 50 10 JIGE CC(C)(C)OC(=O)N1CCC12CCS(=O)(=NC(=O)[C@H](Br)C1CCCC1)CC2 2167035067 VJWMPGHJGLJAGL-QYRJMHQMSA-N 463.438 4.108 50 10 JIGE CN(Cc1ccccc1)[C@@H]1CCCCN(S(=O)(=O)c2ccc(CBr)cc2)C1 2169166625 NQOXLFPBSDBGGO-HXUWFJFHSA-N 451.430 4.257 50 10 JIGE C[C@@H](Br)[C@@H](NS(=O)(=O)c1c(Cl)cccc1Br)C(F)(F)F 2195317910 JMFXIMVPKULAMD-MLUIRONXSA-N 459.509 4.095 50 10 JIGE O=C(c1cc(I)ccc1Br)N1[C@H]2CC[C@H](Cl)[C@H]1CC2 2229875330 INLXBPIIFWLGSX-TVYUQYBPSA-N 454.533 4.428 50 10 JIGE CC1(C)CCCN(C(=O)c2c(F)cccc2I)[C@@H]1CBr 2282787063 MFZZUGHMOWWNEE-GFCCVEGCSA-N 454.121 4.456 50 10 JIGE O=C(c1c(F)cccc1I)N1C[C@H](Br)CC2(CCC2)C1 2282804845 IGJACGLBLCHYTI-SNVBAGLBSA-N 452.105 4.210 50 10 JIGE CCN(CC)C(=O)CN1C(=O)C(=C(C#N)c2nc3ccc(C)cc3[nH]2)c2cc(Br)ccc21 2293024366 UXZHWSCSQXGANN-UHFFFAOYSA-N 492.377 4.283 50 10 JIGE COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(Cl)c([N+](=O)[O-])c2)cc1 2297298863 RIIOXYXVGIQRSA-UHFFFAOYSA-N 478.892 4.178 50 10 JIGE COc1ccc(C=NNC(=O)C(=Cc2cccs2)NC(=O)c2ccccc2)cc1Br 2297322633 UFRMLWZECHULRT-UHFFFAOYSA-N 484.375 4.440 50 10 JIGE CCOC(=O)C(C#N)=C(Nc1ccccc1)SC(=O)C=CC(=O)Nc1ccc(OCC)cc1 2297556833 AKIBLXJZXLAGGW-UHFFFAOYSA-N 465.531 4.250 50 10 JIGE COc1ccc(C=NNC(=O)[C@H](C)NC(=O)OC(C)(C)C)cc1OCc1cccc(Cl)c1 2328794965 PCKGIWPYEZPPRF-HNNXBMFYSA-N 461.946 4.291 50 10 JIGE Cn1cnc(Br)c1[C@@H](Cl)c1cc(I)cc2c1OCC2 2337285934 TWPQRSCYTWIOTP-JTQLQIEISA-N 453.505 4.050 50 10 JIGE CC1(C)OCCN(Cc2cc(I)ccc2Cl)[C@H]1CBr 2352429210 DVUWAEOTXAFCKD-ZDUSSCGKSA-N 458.565 4.319 50 10 JIGE COc1cc(/C=N/NC(=O)COc2c(C)cc(Br)cc2C)cc(Br)c1O 3072523 PRPNGJJZVNKUST-ODCIPOBUSA-N 486.160 4.072 50 10 JIGE C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NNC(=O)COc1ccc(Cl)cc1Cl 14644254 QKQWAZGRJTWBCG-VIFPVBQESA-N 496.572 4.403 50 10 JIGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)COc2ccc(Cl)cc2)c(Br)c1 14832235 OIGANACTVGHGNI-ZDUSSCGKSA-N 469.763 4.221 50 10 JIGE Cn1cc(Br)cc1C(=O)NNC(=O)c1oc2ccccc2c1COc1ccccc1 16271095 PAXRMJIDWLBEAM-UHFFFAOYSA-N 468.307 4.188 50 10 JIGE Cc1ccccc1[C@H]1c2ccsc2CCN1CC(=O)N1CCN(C(=O)C(C)(C)CCl)[C@H](C)C1 34829821 ZMTSHLRFUBMUEQ-DVECYGJZSA-N 488.097 4.328 50 10 JIGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc32)c1 38659997 ZSGHXHINSIBIKS-HSZRJFAPSA-N 473.441 4.049 50 10 JIGE CCOc1cc(/C=N/NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)cc(Br)c1O 39724876 VJMPGPVJBYRZOY-PGCIDKTFSA-N 455.736 4.433 50 10 JIGE O=C(N/N=C1\C(=O)N(Cc2cccc([N+](=O)[O-])c2)c2ccccc21)c1cccc(Br)c1 59146433 JVADVFSNDANVHX-GFMRDNFCSA-N 479.290 4.038 50 10 JIGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCC(=O)OC 59335607 DIBDBTQPFHOTIL-SXGWCWSVSA-N 473.323 4.254 50 10 JIGE COc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2)cc1OC 206678509 DSNDONDKDCITGX-KYASWKSUSA-N 458.470 4.139 50 10 JIGE COc1ccccc1C=NNC(=O)CCCCCCCC(=O)NN=Cc1ccccc1OC 254317148 GYTJVTMEEBMTJQ-UHFFFAOYSA-N 452.555 4.035 50 10 JIGE Cc1cc(C)cc(OCC(=O)NN=Cc2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)c1 254555431 PQYYFOMADNARAB-UHFFFAOYSA-N 464.434 4.441 50 10 JIGE COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NN=C(C)c2cc3ccccc3o2)c1 254848942 LJOIBSFBTSTWPE-UHFFFAOYSA-N 463.515 4.396 50 10 JIGE CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(O)cc2)cc1 254855383 MZBFKHLTUCEPTO-DYBOXTRGSA-N 456.546 4.160 50 10 JIGE BrCC(CBr)(CO[C@@H]1CCOC1)c1cccc(Br)c1 388452496 YTBNDTMPPLTOMR-CYBMUJFWSA-N 457.000 4.282 50 10 JIGE O=C(CCl)c1cc(Br)c(I)cc1I 575685375 GOYGWYZWKCUUTR-UHFFFAOYSA-N 485.284 4.080 50 10 JIGE O=C(NC[C@@]1(CBr)CCCOC1)c1cc(Br)c(Br)s1 700890308 JYGUBQWKRMITLD-LBPRGKRZSA-N 476.028 4.195 50 10 JIGE COc1ccc(Br)cc1C=NNC(=O)C(=O)Nc1ccc(Oc2ccccc2)cc1 1083998153 KMQLPKNSCDFJFL-UHFFFAOYSA-N 468.307 4.339 50 10 JIGE O=[N+]([O-])c1cc([C@@H]2CN(Cc3ccccc3)C[C@@H]2CI)cc([N+](=O)[O-])c1 1614632784 FBRLICABURNEEV-YJBOKZPZSA-N 467.263 4.154 50 10 JIGE CC(=O)N1CCN(c2cccc(NC(=O)NNc3nc4ccc(Cl)cc4s3)c2C)C1=O 1672153143 RCKMWUAAJPRNNC-UHFFFAOYSA-N 458.931 4.195 50 10 JIGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2)cc(Cl)c1O 1865706756 DVWBWFZADFLLET-HNNXBMFYSA-N 462.815 4.477 50 10 JIGE CC[C@H](NC(=O)CCSc1nnc(-c2ccccc2)n1C)C(=O)Nc1ccc(SC#N)cc1 1867075138 HXQPEMNNIJXRDJ-IBGZPJMESA-N 480.619 4.071 50 10 JIGE C[C@H](CBr)N(Cc1ccccc1)C(=O)c1cc(I)sn1 1881736691 AVHGYXPRXIXTAD-SNVBAGLBSA-N 465.154 4.174 50 10 JIGE C[C@@H]1[C@@H](Br)CCCN1c1ncc(I)cc1Br 1988531025 NSODQYRYAJJMBB-APPZFPTMSA-N 459.951 4.201 50 10 JIGE CC(C)(C)OC(=O)N1C[C@H](Br)[C@@H](OCc2ccc(F)cc2Br)C1 1994982610 ZKNZPISQXSIDKB-KBPBESRZSA-N 453.146 4.488 50 10 JIGE CCOc1cc(C(=O)CBr)cc(I)c1OC(F)(F)F 2055048990 VLMMVEWFFKCRPX-UHFFFAOYSA-N 452.992 4.166 50 10 JIGE CCOC(=O)c1ccc(CBr)c(I)c1OC(F)(F)F 2055275491 KULIHJACUSGYSX-UHFFFAOYSA-N 452.992 4.261 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@H]2C[C@@H](Br)[C@H]1C2 2057057813 UYVMHTIOERLLNU-HNBZJPLGSA-N 484.957 4.052 50 10 JIGE CCc1cc(I)c(I)c(C(=O)CBr)c1 2060137005 MHJSLHLZYFQIDC-UHFFFAOYSA-N 478.893 4.036 50 10 JIGE Clc1ccc(I)c(CN2[C@H](CBr)C[C@H]3OCC[C@@H]32)c1 2090533520 FWKUZTYWDAYYEQ-FPMFFAJLSA-N 456.549 4.071 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@@H](Cl)[C@H](C2CC2)C1 2142279439 QDVNLSCXDKMXFY-NWDGAFQWSA-N 454.533 4.143 50 10 JIGE CC[C@@]1(NS(=O)(=O)c2ccc(CBr)cc2)CCCN(C(=O)OC(C)(C)C)C1 2162587562 VFNLEJLSHKLDHB-LJQANCHMSA-N 461.422 4.040 50 10 JIGE CC(C)(C)OC(=O)N[C@H]1CCCCC[C@H]1NS(=O)(=O)c1ccc(CBr)cc1 2162593322 DCTPHBHAUCOCOO-DLBZAZTESA-N 461.422 4.086 50 10 JIGE COc1ccc(Br)cc1S(=O)(=O)N(Cc1ccccc1)C[C@@H](C)Br 2214850090 HXXNMSHBBTWJBD-CYBMUJFWSA-N 477.218 4.432 50 10 JIGE BrC[C@]12COC[C@H]1CN(Cc1c(Br)cccc1Br)C2 2226186264 PFNZYBRSVTZZIZ-YGRLFVJLSA-N 454.000 4.055 50 10 JIGE CCCN(C[C@@H](C)Br)c1ncc(I)cc1Br 2244855361 XJKUZZQSTVINKW-MRVPVSSYSA-N 461.967 4.449 50 10 JIGE CC1CC(CBr)(CNC(=O)c2ccc(Cl)c(I)c2)C1 2268340872 NJFGVOURSXPDEL-UHFFFAOYSA-N 456.549 4.486 50 10 JIGE COCCN(C[C@H](C)Br)C(=O)c1c(Br)cccc1Br 2272447279 YTHYIIDBFJYOLK-VIFPVBQESA-N 457.988 4.084 50 10 JIGE O=C(NC[C@H]1CC[C@@H](CBr)CO1)c1c(Br)cccc1Br 2279401648 MUXWFJXPCDCXNY-VHSXEESVSA-N 469.999 4.132 50 10 JIGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(-c3ccccc3)cc2)cc1 2314785160 XWIIHUDRRXCTAQ-UHFFFAOYSA-N 456.498 4.008 50 10 JIGE O=S(=O)(N[C@@H](CCBr)COCc1ccccc1)c1ccc(F)cc1Br 2320406929 UYPIONBFTZIBRB-HNNXBMFYSA-N 495.208 4.237 50 10 JIGE CC[C@H](C)Oc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2Cl)cc1 10292237 HBFADAMJHBNTGG-LBPRGKRZSA-N 455.736 4.120 50 10 JIGE Cc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2-c2ccccc2)cc1Br 13980061 PAJMMJJGUVINSH-UHFFFAOYSA-N 498.402 4.139 50 10 JIGE O=C(N/N=C\c1ccccc1O)c1csc(-n2nc(-c3ccccc3)cc2C(F)(F)F)n1 33434049 SOBNOLUGHNDGET-GATIEOLUSA-N 457.437 4.484 50 10 JIGE O=C(Cn1c(C(F)(F)F)nc2ccccc21)N/N=C1/C(=O)N(Cc2ccccc2)c2ccccc21 33959651 SASBHSDKUSLTMV-DFKUXCBWSA-N 477.446 4.122 50 10 JIGE CCOc1ccc(C=NNC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)cc1 252641308 ZBPFZPSEDUGRSH-RRHNVJNFSA-N 456.546 4.073 50 10 JIGE O=C(CCC(=O)NN=Cc1ccccc1C(F)(F)F)NN=Cc1ccccc1C(F)(F)F 254513711 MXFTYADKCLZEMU-UHFFFAOYSA-N 458.362 4.105 50 10 JIGE O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)NN=Cc1ccccc1O 254516966 DUFZWUMFBOMSLK-UHFFFAOYSA-N 490.610 4.274 50 10 JIGE O=S1(=O)CCC[C@H]1COc1c(Br)cc(Br)cc1CBr 694420416 YWPCEAWPFCMJCZ-JTQLQIEISA-N 477.012 4.063 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1[C@H]2CC[C@H]1CC(Cl)C2 721614452 BIQXUMGCVDLBSP-QWRGUYRKSA-N 454.533 4.428 50 10 JIGE COc1cc(OC)cc(C(=O)Oc2ccc(C=NNC(=O)Cc3c[nH]c4ccccc34)cc2OC)c1 916340306 GJHGOCPWYSHETA-UHFFFAOYSA-N 487.512 4.106 50 10 JIGE O=C(COc1ccc(Cl)cc1Cl)NN=C1C(=O)N(Cc2cccc([N+](=O)[O-])c2)c2ccccc21 1084116099 UNCPYRWLEAFJDW-UHFFFAOYSA-N 499.310 4.348 50 10 JIGE Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1C=NNC(=O)c1cccc2ccccc12 1084416310 OPCJRSWGWCGLCX-UHFFFAOYSA-N 458.434 4.223 50 10 JIGE O=S(=O)(c1cc(CBr)c(Cl)cc1Cl)N(Cc1ccccc1)C1COC1 2059290646 BNAPAXSCMLRJKP-UHFFFAOYSA-N 465.196 4.478 50 10 JIGE COc1ccc(Br)cc1CNCCSSCCNC(=O)OC(C)(C)C 2061264094 LNOXYMMOOJXZMP-UHFFFAOYSA-N 451.452 4.453 50 10 JIGE C[C@]1(NC(=O)c2cc(Br)ccc2I)CCC[C@@H]1Br 2062574072 PCVGMAKPWUVZOU-AAEUAGOBSA-N 486.973 4.490 50 10 JIGE CC[C@@H](C)[C@H](CI)NS(=O)(=O)c1cc(Cl)c(Br)s1 2081252847 BGVFHLFXHQBEJF-SVRRBLITSA-N 486.622 4.292 50 10 JIGE O=C(NC[C@@H](CBr)C1CC1)c1ccc(Br)cc1I 2086138542 CAJJDFXKZJFDMY-SECBINFHSA-N 486.973 4.205 50 10 JIGE O=C(c1cccc(Br)c1Br)N1CC(F)(F)C[C@@H]1CBr 2102805274 ZYUPSXQOJGVOCI-SSDOTTSWSA-N 461.926 4.456 50 10 JIGE O=C(c1cc(Br)sc1Br)N1CC2(C1)OCCC[C@H]2Br 2103413547 KEXSCGGJUWXXRQ-MRVPVSSYSA-N 474.012 4.042 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N[C@@H]2CC[C@H](Br)C2)cc1Br 2121473740 JPGUZEFQGKUYOR-DTWKUNHWSA-N 476.028 4.114 50 10 JIGE O=S(=O)(c1cc(CBr)ccc1Br)N1CCC=C(Br)C1 2123268259 DNSUDFFVHJVBLG-UHFFFAOYSA-N 474.012 4.017 50 10 JIGE CN(Cc1ccccc1)CC1CCN(S(=O)(=O)c2ccsc2CBr)CC1 2123286415 MYRMATRMJLEYSP-UHFFFAOYSA-N 457.459 4.176 50 10 JIGE O=C(c1scc(Br)c1Br)N1C[C@@H](Br)C2(CCOCC2)C1 2174367928 GMAPOSXDDNTPRM-SECBINFHSA-N 488.039 4.289 50 10 JIGE C[C@@H]1CCN(Cc2ccccc2)CCN1S(=O)(=O)Cc1cccc(CBr)c1 2179776418 UGHWTVMAYXUZQI-GOSISDBHSA-N 451.430 4.008 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1[C@H]2CC[C@H](Br)[C@H]1CC2 2229866705 XTEZDDUURFHBNL-OUJBWJOFSA-N 454.533 4.475 50 10 JIGE C[C@@H]1[C@H](C(F)(F)F)N(CC(C)(C)CI)CCN1C(=O)OC(C)(C)C 2306808605 BOSMFUYKYYNYRB-VXGBXAGGSA-N 464.310 4.320 50 10 JIGE Cc1ccc(NC=C(C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(N)c1 2324609621 CPWMYGIAXQYOQZ-UHFFFAOYSA-N 451.574 4.330 50 10 JIGE O=C(N[C@H]1C[C@@H](CCl)[C@H]2C[C@H]12)c1ccc(Br)cc1I 2333351198 SXVYBBRSIGBBBJ-RINBACNTSA-N 454.533 4.047 50 10 JIGE CN(C[C@H]1C[C@@H](Br)C1)C1(C(=O)O)CCC(C)(NC(=O)OCc2ccccc2)CC1 2346175513 FMMBSVLNQCOJSA-OTXOEQGISA-N 467.404 4.174 50 10 JIGE CN([C@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]12)S(=O)(=O)c1cc(CBr)co1 2357092140 SWDFXFLLRDMORQ-RDGPPVDQSA-N 454.386 4.179 50 10 JIGE O=C(CNC(=O)c1ccccc1Br)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1 3193494 XTHXMNSKFGNYHF-BHGWPJFGSA-N 460.715 4.243 50 10 JIGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3ccccc3C(=O)O)cc2)cc1 12491978 ZVBCQHLCVGNQDJ-UHFFFAOYSA-N 459.502 4.009 50 10 JIGE O=C(/C=C/c1ccc(Cl)cc1)NC(=S)NNC(=O)COc1ccc(-c2ccccc2)cc1 14834021 JHBBHDKZVJAUPA-OVCLIPMQSA-N 465.962 4.121 50 10 JIGE COC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3F)cc2)sc(C(N)=O)c1C 34988116 CQLSHURGWGFECW-BOPFTXTBSA-N 493.516 4.206 50 10 JIGE Cn1c(-c2ccc(C(=O)NNC(=O)c3ccccc3Br)s2)nc2ccccc21 35553874 SVVRJTRJKXTMPB-UHFFFAOYSA-N 455.337 4.139 50 10 JIGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4)ccc32)c(OC)c1 38656943 SPXALWGXZQNRPO-AREMUKBSSA-N 472.497 4.215 50 10 JIGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(OC)cc4)ccc32)cc1 38658118 QYJTUDUBOGWLER-MHZLTWQESA-N 484.508 4.463 50 10 JIGE Cc1ccc2nc(Nc3ncnc(NNC(=O)c4ccccc4Cl)c3[N+](=O)[O-])sc2c1 40650509 RZBQEDLRWGBGCO-UHFFFAOYSA-N 455.887 4.457 50 10 JIGE CCOC(=O)/C(C#N)=C\c1cccc(OC(=O)c2ccc(C(=O)C(=O)c3ccccc3)cc2)c1 206676181 SBFHKJDIKVGKFJ-JCMHNJIXSA-N 453.450 4.441 50 10 JIGE CCCOc1ccccc1/C=C(/C#N)C(=O)Oc1ccc(/C=C(/C#N)C(=O)OCC)cc1OC 206989110 PEVLZMDLTRTCRS-SYXXZYOVSA-N 460.486 4.467 50 10 JIGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 214203960 KQOHUGIFNYSDDU-NDENLUEZSA-N 483.484 4.068 50 10 JIGE CC(=O)Nc1ccc(N/C=C(/C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 216486015 WCVJUMDWKVTQDV-DAFNUICNSA-N 479.584 4.398 50 10 JIGE CC(C)(C)OC(=O)NC[C@](C)(CI)OC(C(F)(F)F)C(F)(F)F 226033607 SATRJGOUSZCDDO-JTQLQIEISA-N 465.172 4.215 50 10 JIGE O=S(=O)(NCCCCCI)c1cc(Cl)c(Br)s1 229236212 TUYZOERCLBBZRE-UHFFFAOYSA-N 472.595 4.048 50 10 JIGE CCC(=O)[C@@H](Br)Cc1cc(I)cc(I)c1 690366098 YSZYMPSOYLMNNU-JTQLQIEISA-N 492.920 4.181 50 10 JIGE C[C@@H]1CCCN(C(=O)c2cccc(F)c2I)[C@H]1CCBr 721698234 OTLLUYIAZHGGFH-MFKMUULPSA-N 454.121 4.456 50 10 JIGE Cc1nc(CCNC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)cs1 914453172 AGPFSDYTPGYQQC-BOPFTXTBSA-N 450.955 4.148 50 10 JIGE Cc1cccc(C(=O)Nc2ccc(C(=O)NN=Cc3cc(Br)ccc3O)cc2)c1 1082753860 SGDNBPLVWZAXOR-UHFFFAOYSA-N 452.308 4.479 50 10 JIGE COc1cccc(NC(=O)C(=O)NN=Cc2cc(C)n(-c3ccccc3C(F)(F)F)c2C)c1 1083892544 LGTGYFXHWXJCHO-UHFFFAOYSA-N 458.440 4.210 50 10 JIGE CCOc1cc(C=NNC(=O)C(=O)Nc2ccccc2Cl)ccc1OCc1ccccc1 1083955261 CYEOXADDZXFNNI-UHFFFAOYSA-N 451.910 4.407 50 10 JIGE CC(CC(C)(C)c1ccccc1)=NNC(=O)CN(c1ccccc1Br)S(C)(=O)=O 1084066298 SOQNLOJWGUFPEK-UHFFFAOYSA-N 480.428 4.075 50 10 JIGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCC#N 1084090498 WXHIPXKEKDIKRJ-XMHGGMMESA-N 495.377 4.006 50 10 JIGE Cc1c(C(=O)Nc2cccc([N+](=O)[O-])c2)oc2c1C(=NNC(=O)c1ccc(F)cc1)CCC2 1772744840 KZAQSDBVYSXQGO-UHFFFAOYSA-N 450.426 4.358 50 10 JIGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2)c1 1865691952 FZEHQUACHNIXIH-GOSISDBHSA-N 456.424 4.186 50 10 JIGE CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1cc(OC)c(OC)c(OC)c1)C(C#N)=C(N)O2 1865692159 JPIYSNGYSWBOAS-JOCHJYFZSA-N 478.524 4.267 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(F)c2)[C@@H]1c1ccccc1C(=O)O 1865703553 BDLAWAHDZPSMAB-MRXNPFEDSA-N 458.371 4.006 50 10 JIGE CC[C@@H](NC(=O)c1cc(C2CC2)n2nc(C3CC3)cc2n1)C(=O)Nc1ccc(SC#N)cc1 1867179035 ZHLDOLJWMWHFSB-GOSISDBHSA-N 460.563 4.204 50 10 JIGE CN(Cc1cnn(C)c1Br)c1cc(Br)ccc1CBr 2116623923 BIEPBIONBFZASO-UHFFFAOYSA-N 451.988 4.476 50 10 JIGE BrC[C@@H]1CO[C@@H]2CN(Cc3cccc(Br)c3Br)C[C@@H]12 2121592317 LOLYYEVXCUJXJY-NTZNESFSSA-N 454.000 4.053 50 10 JIGE O=S(=O)(NC[C@@H](Cl)CC(F)(F)F)c1cc(Br)ccc1Br 2175685841 IJEBOQOABOEPAR-ZETCQYMHSA-N 459.509 4.050 50 10 JIGE O=S(=O)(c1ccc(F)c(CBr)c1F)N1CC[C@@H](COCc2ccccc2)C1 2179860063 MPXYZMASWFMHAS-OAHLLOKOSA-N 460.340 4.087 50 10 JIGE C[C@]1(CCBr)CCN(S(=O)(=O)c2cc(Br)ccc2Br)C1 2188435142 PDTNNDOYQQDTFH-ZDUSSCGKSA-N 490.055 4.397 50 10 JIGE O=C(N[C@H](CBr)C[C@@H]1CCOC1)c1c(Br)cccc1Br 2195496003 QJSSWPPPVDYAIV-UWVGGRQHSA-N 469.999 4.132 50 10 JIGE CC1(C)C[C@](C)(CBr)CN1C(=O)c1ccc(I)c(O)c1 2199543030 XNNCERHXMQXQRP-OAHLLOKOSA-N 452.130 4.023 50 10 JIGE CCC[C@@H]1CN(C(=O)c2cccc(C)c2I)C[C@@H]1CBr 2205703919 PBIZVSVTZMRJPX-OLZOCXBDSA-N 450.158 4.483 50 10 JIGE O=C1c2ccccc2C(=O)N1C[C@H](Br)Cc1cc(F)cc(Br)c1F 2242109314 ACCBZIGOUSUTPF-SNVBAGLBSA-N 459.084 4.330 50 10 JIGE N#CC(=Cc1ccc2c(c1)OCO2)C(=O)OCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 2297348637 WXFSXPILVDDTAX-UHFFFAOYSA-N 452.772 4.176 50 10 JIGE COc1cc(C=C(C#N)C(=O)N2CCCC2)ccc1OCC(=O)Nc1ccc(Br)cc1 2297381930 ARJWTDKWSDDPMX-UHFFFAOYSA-N 484.350 4.005 50 10 JIGE CS(=O)(=O)[C@H]1C[C@H]([C@H](Br)c2sc(Cl)cc2I)C1 2301084477 UCIMZYXSXOTSDW-WATHFIQWSA-N 469.591 4.265 50 10 JIGE Cn1nc(Br)c(Br)c1C(=O)N[C@H]1CCCC[C@H]1CCBr 2364229624 ZGXJVDZPDDOICI-IUCAKERBSA-N 472.019 4.019 50 10 JIGE COc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2C)cc1 9695876 OGSZYYBIGGRQRS-UHFFFAOYSA-N 482.334 4.093 50 10 JIGE CC[C@@H](C)c1ccccc1O[C@@H](C)C(=O)NNC(=O)CCC(=O)Nc1cccc(Cl)c1C 9872154 MEQRRCJPYDAMNZ-WBVHZDCISA-N 459.974 4.496 50 10 JIGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)c1ccc(C(C)(C)C)cc1 12573799 BTONNFZBQOXRIL-GFCCVEGCSA-N 468.406 4.394 50 10 JIGE CC(C)Oc1ccccc1C(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 14664304 LQTLEUHZBDBMNF-UHFFFAOYSA-N 463.372 4.374 50 10 JIGE CCCN1C(=O)/C(=N/NC(=O)COc2ccc3cc(Br)ccc3c2)c2cc(OC)ccc21 33959364 RYJZQDGGGLYXJP-SLEBQGDGSA-N 496.361 4.267 50 10 JIGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)c1 38650193 HFARKLCBTWYDRW-OWJWWREXSA-N 460.461 4.425 50 10 JIGE C[C@@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc([N+](=O)[O-])c1 38653919 PQQSSFXLIMDTCR-QKFKETGDSA-N 475.432 4.325 50 10 JIGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 101336962 NHLFBODMFJPQGZ-RZZUAFPKSA-N 482.515 4.450 50 10 JIGE Cc1cccc(N2CCN(/C=C(/C#N)C(=O)Nc3ccc(I)cc3C)CC2)c1 217254237 DZCZAKLUWCOHSQ-SDXDJHTJSA-N 486.357 4.076 50 10 JIGE C[C@H]1CN(C(=O)CN2CCc3sccc3[C@H]2c2ccccc2)CCN1C(=O)C(C)(C)CCl 245325661 BUXHQTVXGMGAMJ-FDDCHVKYSA-N 474.070 4.020 50 10 JIGE Cc1ccc(NC(=O)C(=O)NN=Cc2cc(C)n(-c3cccc(Br)c3)c2C)cc1 252623629 OVQGSEWBWCVBPP-UHFFFAOYSA-N 453.340 4.254 50 10 JIGE COc1cc(C=NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1O 254792756 ZCACIOQIVVGUJP-SECBINFHSA-N 462.127 4.388 50 10 JIGE CO[C@]1(CBr)CCCN(Cc2cc(Cl)ccc2I)C1 405305252 PUUJKATZBJWFQX-AWEZNQCLSA-N 458.565 4.321 50 10 JIGE FC(F)(F)c1cnc(N2CCSC[C@@H]2CCBr)c(I)c1 686114960 OAXZDDBAEIHSAT-VIFPVBQESA-N 481.119 4.412 50 10 JIGE Cc1cccc(C)c1N(CC(=O)NN=Cc1cc(C)n(-c2ccccc2Cl)c1C)S(C)(=O)=O 725390969 LALYMFVFTYQSSI-UHFFFAOYSA-N 487.025 4.281 50 10 JIGE COc1ccc2nc(NC(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C(=O)OC(CCl)CCl)sc2c1 725394555 KIBVESCOHZYYRQ-BNBDDXAPSA-N 455.363 4.071 50 10 JIGE CN(C)N(C(=O)c1oc2ccccc2c1CSc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 728179001 GVJPGIPVFFWITA-INIZCTEOSA-N 479.023 4.484 50 10 JIGE CCc1cccc(C)c1NC(=O)COC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1 761396174 CBJLRAIXAJDAAI-JCMHNJIXSA-N 467.529 4.423 50 10 JIGE NNC(=O)c1cc(Br)cc(Br)c1OCc1c(F)cccc1Cl 953077452 NUTFCBKWYBUZIW-UHFFFAOYSA-N 452.505 4.187 50 10 JIGE O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)NN=Cc1ccc(Cl)cc1 1084292252 ATWXTZRDQRGPRZ-UHFFFAOYSA-N 462.358 4.339 50 10 JIGE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NNc2cc(C#N)ccc2Br)cc1 1667785530 CZTYQSAMOFJWDS-UHFFFAOYSA-N 454.328 4.284 50 10 JIGE Cc1ccc(C(=O)NN=C2CCCc3oc(C(=O)NC4CC(C)(C)NC(C)(C)C4)c(C)c32)cc1 1772744368 CIILUVZXNRDLKR-UHFFFAOYSA-N 464.610 4.406 50 10 JIGE COc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2OC)CCC3)c(OC)c1 1772746659 ZDAUKFUSZIXIBX-UHFFFAOYSA-N 477.517 4.337 50 10 JIGE CC(C)(C)OC(=O)NC[C@@](C)(CI)OCCCOCc1ccccc1 1880150383 ZBNLQJXBNGJQOM-LJQANCHMSA-N 463.356 4.328 50 10 JIGE Brc1cc(I)cnc1N1C[C@H]2C[C@H](Br)C[C@H]2C1 2015764751 CBEQHFNQHCXBAA-BRPSZJMVSA-N 471.962 4.058 50 10 JIGE O=C(c1csc(Br)c1Br)N1CC[C@@H]2[C@H](CBr)[C@H]2C1 2032953271 GJHINKVPMTXHDQ-CSMHCCOUSA-N 458.013 4.376 50 10 JIGE O=C(N[C@@H]1C[C@H](CBr)[C@@H]2C[C@H]12)c1scc(Br)c1Br 2048009627 PPHNNCPUTCSBEU-UTSKPXGSSA-N 458.013 4.422 50 10 JIGE FC1(F)CCN(c2ncc(I)cc2Br)C[C@H]1CCl 2069527330 BIJAQVANPYKVIC-SSDOTTSWSA-N 451.480 4.149 50 10 JIGE CCCCOCCOCCO[C@@]1(CI)CCCN(C(=O)OC(C)(C)C)C1 2124826166 XLBKPKAMCBBWBS-LJQANCHMSA-N 485.403 4.041 50 10 JIGE O=C(c1ccc(Br)cc1I)N1[C@H]2CC[C@H]1[C@H](CBr)C2 2142280643 GUUXAVLWNWHJPX-FWDPORAESA-N 498.984 4.442 50 10 JIGE CC(C)(C)OC(=O)NC[C@H](NC(=O)[C@H](Br)C1CCCC1)C(F)(F)C(F)(F)F 2167049850 HJUGMMQYUCMLCW-WDEREUQCSA-N 467.273 4.147 50 10 JIGE Cc1cc(S(=O)(=O)N2C[C@@H]3CN(Cc4ccccc4)C[C@]3(C)C2)sc1CBr 2179822871 BMPIACZZEMYHGI-FXAWDEMLSA-N 469.470 4.094 50 10 JIGE O=S(=O)([C@H]1CC[C@@H](CBr)C1)N1[C@H]2CCC[C@H]1CN(Cc1ccccc1)CC2 2179827090 AKSRNIBSLDGSRK-ANULTFPQSA-N 455.462 4.009 50 10 JIGE Cc1cccc(C(=O)N2C[C@@H](CCBr)C(C)(C)C2)c1I 2238463771 RVRTTYYWXAXLOW-GFCCVEGCSA-N 450.158 4.483 50 10 JIGE CC(C)(C)OC(=O)NCC[S@](=O)(=NCCCCI)c1ccccc1 2248246971 KJJSTONINHCAJQ-XMMPIXPASA-N 466.385 4.253 50 10 JIGE CCN1CCC[C@H]([C@H](Br)c2scc(Br)c2Cl)S1(=O)=O 2264611061 CKQGSSHGPOPBET-BDAKNGLRSA-N 451.633 4.414 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N1CCC=C[C@@H]1CBr 2277917086 IKZVYSUCOCUNNO-CYBMUJFWSA-N 451.984 4.306 50 10 JIGE C=CC[C@]1(CBr)CCN(C(=O)c2cccc(F)c2I)C1 2287754290 VEXBIDRYSGTQBF-OAHLLOKOSA-N 452.105 4.234 50 10 JIGE O=C(N[C@@H](CBr)C(F)(F)F)c1ccc(Cl)cc1I 2317767781 AUKUKJCIAYLLFE-QMMMGPOBSA-N 456.427 4.000 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@H]2CC[C@H](Cl)[C@H]2C1 2328657388 WWHICYXXAHLETP-ZHAHWJHGSA-N 454.533 4.143 50 10 JIGE C[C@@H]1CCN(C(=O)c2ccc(Cl)cc2I)C[C@@H]1CBr 2340061575 PBOPXLBAAPFDJS-ZJUUUORDSA-N 456.549 4.438 50 10 JIGE C[C@]12CN(C(=O)c3ccc(Cl)cc3I)C[C@]1(CBr)C2 2340065044 JBLJUGCFJXDVGG-UONOGXRCSA-N 454.533 4.192 50 10 JIGE CCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1cc(C)c(Cl)c(C)c1 14036117 VNZJPNSZRGPFBU-UHFFFAOYSA-N 478.014 4.240 50 10 JIGE COCCOc1ccc(C(=O)NNC(=O)c2ccccc2OCc2ccccc2)cc1Br 14661587 QWUUXOUAZSUNLC-UHFFFAOYSA-N 499.361 4.128 50 10 JIGE O=C(NNc1ncnc(Nc2cccc3cccnc23)c1[N+](=O)[O-])c1ccc(Br)cc1 40626317 CCZLSIHDMDGMIH-UHFFFAOYSA-N 480.282 4.196 50 10 JIGE O=C(COc1ccccc1)NNc1ncnc(NN(c2ccccc2)c2ccccc2)c1[N+](=O)[O-] 40646443 KWNZVOQRYPUTTJ-UHFFFAOYSA-N 471.477 4.072 50 10 JIGE CCCOc1ccccc1/C=C(\C#N)C(=O)Oc1ccc(/C=C(\C#N)C(=O)OCC)cc1OC 40949043 PEVLZMDLTRTCRS-RSKMIKRQSA-N 460.486 4.467 50 10 JIGE COc1ccc(O)c(/C=N/NC(=O)CCCCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 59516456 SIZKNSIKVYRDCD-LGJNPRDNSA-N 468.432 4.450 50 10 JIGE COc1cc(/C=N\NC(=O)c2cccn(Cc3cccc(Cl)c3)c2=O)ccc1OC(C)C 169920590 RDWLKFUDYDFSIQ-WGARJPEWSA-N 453.926 4.110 50 10 JIGE CCOc1ccc(/C=C\C(=O)NC(=S)NNC(=O)c2ccccc2OCc2ccccc2)cc1 206829858 SFDZYSAKHNYWQO-VKAVYKQESA-N 475.570 4.013 50 10 JIGE N#C/C(=C/Nc1cccnc1Cl)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216495841 OVHUFGJFNUOMMD-QOCHGBHMSA-N 457.965 4.488 50 10 JIGE C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)NN=Cc2ccc(Br)cc2)cc1 254722188 XSPUKAGVZKGBAR-IAGOWNOFSA-N 472.383 4.381 50 10 JIGE COc1ccc(C(C)=NNC(=O)CSc2nnc(SCc3ccccc3)s2)cc1OC 254813414 LBWCSCWIWRWATE-UHFFFAOYSA-N 474.633 4.480 50 10 JIGE CCc1cc(C)cc(OCC(=O)NN=Cc2ccc(OCc3ccc(C(=O)O)cc3)c(OC)c2)c1 254860906 VSILEPNRZWKRGA-UHFFFAOYSA-N 476.529 4.372 50 10 JIGE O=C(NC1(CCBr)CCSCC1)c1sccc1I 719710686 MWSIVWXMHWIWPO-UHFFFAOYSA-N 460.200 4.133 50 10 JIGE CCOc1cc(C=NNC(=O)C(=O)Nc2ccccc2F)ccc1OCc1ccc(F)cc1 1084605104 YSSPDKSISMQJJY-UHFFFAOYSA-N 453.445 4.031 50 10 JIGE CC(=O)N1CCN(c2cccc(NC(=O)NNc3c(Cl)cc(Cl)cc3Cl)c2)CC1 1203460547 QJRCXQDKOFVOIS-UHFFFAOYSA-N 456.761 4.464 50 10 JIGE COc1cc(C=NNC(=O)CSc2nc3ccccc3[nH]2)ccc1OC(=O)c1ccccc1 1772760343 DUYKVDKGLNDVSJ-UHFFFAOYSA-N 460.515 4.033 50 10 JIGE CC(C)(C)[C@H]1CCc2c(sc(NC(=O)C(=O)Nc3ccc(SC#N)cc3)c2C(N)=O)C1 1860749728 NZGJTGLMQPIUMH-LBPRGKRZSA-N 456.593 4.148 50 10 JIGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(F)c2)[C@H]1c1ccc(O)c(O)c1 1865680529 NHJOCQWVTPBSKV-QFIPXVFZSA-N 454.461 4.367 50 10 JIGE CCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1cc(OC)c(OC)c(OC)c1)C(C#N)=C(N)O2 1865692195 KKENKSVIJJMTRA-FQEVSTJZSA-N 466.925 4.332 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2F)[C@@H]1c1ccc(C(=O)O)cc1 1865709223 RHKYVTYJLSVZOT-MRXNPFEDSA-N 458.371 4.006 50 10 JIGE C[C@H]1CN(Cc2ccccc2)CCN1S(=O)(=O)c1ccc(Cl)c(CBr)c1 1885130738 JYBOLQRQKUCVKR-HNNXBMFYSA-N 457.821 4.130 50 10 JIGE O=C(CBr)c1ccc(Br)c(I)c1OC(F)F 2054808375 KEHBYELMUFLABH-UHFFFAOYSA-N 469.845 4.233 50 10 JIGE Clc1cc(I)cc(I)c1CBr 2060262133 JTFJPQLIIQFPHZ-UHFFFAOYSA-N 457.274 4.444 50 10 JIGE CN1CCC(N(Cc2ccccc2)S(=O)(=O)c2cc(CCl)oc2Br)CC1 2095878364 XWWOHJWCXRJKMY-UHFFFAOYSA-N 461.809 4.066 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CC2(CC2)C[C@@H]1CCl 2099148905 WWTCXWFAAHDZCN-SNVBAGLBSA-N 454.533 4.287 50 10 JIGE O=C(c1cccc(Br)c1Br)N1C[C@H]2C[C@H](Br)C[C@H]2C1 2128640443 VJWYGTITOZCXAT-MYJAWHEDSA-N 451.984 4.457 50 10 JIGE CC1(C)C[C@H](N(Cc2ccccc2)S(=O)(=O)Cc2cccc(CBr)c2)CO1 2179785921 SFBVFAJXJGPVKS-FQEVSTJZSA-N 452.414 4.481 50 10 JIGE CCOC(=O)c1c(-n2c(C)cc(C=C(C#N)C(=O)NC[C@@H]3CCCO3)c2C)sc2c1CCCC2 2294156067 JWFUCIAGEXVVCT-FQEVSTJZSA-N 481.618 4.413 50 10 JIGE Cc1scc(C(=O)NCCSSCCNC(=O)OC(C)(C)C)c1Br 2303624171 LXBODXKSJWSGNH-UHFFFAOYSA-N 455.465 4.455 50 10 JIGE BrC[C@]12C[C@@H]1CN(Cc1ccc(I)c(Br)c1)C2 2306217113 MZHBSSHNJNERQI-MFKMUULPSA-N 470.974 4.271 50 10 JIGE CCOc1cc(C=C(C#N)C(=O)N(C)C)cc(Br)c1OCc1ccccc1C#N 2313568745 WRJGKXOBMAFHIS-UHFFFAOYSA-N 454.324 4.294 50 10 JIGE COc1ccc(C(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccccc3)cc2OC)cc1OC 2314737075 KNXFOJJNBYDMFE-UHFFFAOYSA-N 472.497 4.155 50 10 JIGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)c2cc([N+](=O)[O-])ccc2Cl)c(OC)c1 2314777130 PFYMXLJJRARWLT-UHFFFAOYSA-N 457.870 4.299 50 10 JIGE N#CC(=CN1CCN(c2ccccc2)CC1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324609734 UYZDOZQPSZWXHY-UHFFFAOYSA-N 491.639 4.150 50 10 JIGE COc1ccc(OC)c(-c2csc(C(C#N)=C(O)[C@@H](C)N3C(=O)c4ccccc4C3=O)n2)c1 2331325191 UOJNSOMUNIBKIS-CYBMUJFWSA-N 461.499 4.305 50 10 JIGE Cc1nc(OCc2ccc(I)c(Br)c2)ncc1CCl 2350073062 JQXIPXSLFOUCQZ-UHFFFAOYSA-N 453.505 4.470 50 10 JIGE O=S(=O)(C[C@@H](Br)c1ccc(Cl)cc1I)N1CCCCC1 2365558656 KHFUCKHOADCHTC-GFCCVEGCSA-N 492.604 4.196 50 10 JIGE CCCCOc1cccc(C(=O)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)c1 14041643 VHNRQWDAKOTITG-UHFFFAOYSA-N 452.338 4.352 50 10 JIGE N#CC1=C(N)OC2=C([C@@H]1c1ccccc1)S(=O)(=O)N(Cc1ccccc1F)c1ccccc12 20558514 LQUJPLPEQATUPU-JOCHJYFZSA-N 459.502 4.352 50 10 JIGE COc1ccc([C@H](NNC(=O)C(O)(c2ccc(OC)cc2)c2ccc(OC)cc2)c2ccccc2)cc1 27520911 DZNYFNYJZFHDMV-MUUNZHRXSA-N 498.579 4.359 50 10 JIGE CCCCCOc1ccc(/C=N\NC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1OC 31829141 PDJUOZLJXHAGBI-QWKVUHSCSA-N 496.633 4.311 50 10 JIGE COc1cc(/C=N\NC(=O)c2ccccc2N)cc(Br)c1OCc1ccccc1 33686793 SUAHFWJFOMYVGF-MXAYSNPKSA-N 454.324 4.383 50 10 JIGE O=c1[nH]c2ccc([C@H](Cl)c3cc(Br)c(Br)s3)cc2[nH]c1=O 128539151 HKWWXNISPCRHBJ-JTQLQIEISA-N 450.539 4.131 50 10 JIGE CCCNC(=O)c1cc2ccc(OC(=O)/C(C#N)=C\c3ccc(OCCC)cc3)cc2oc1=O 206546219 ZEIKDRJFZLNUQL-UYRXBGFRSA-N 460.486 4.234 50 10 JIGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccccc3)cc2OC)cc1 254387442 YSLNCRDDDSRGMI-UHFFFAOYSA-N 489.528 4.182 50 10 JIGE Cc1ccc(CSc2nnc(SCC(=O)NN=Cc3ccccc3[N+](=O)[O-])s2)cc1 254394282 LDZSGILKASOYQP-UHFFFAOYSA-N 459.578 4.289 50 10 JIGE Cc1ccc(OCC(=O)NN=C2C(=O)N(CCCOc3ccccc3C)c3ccccc32)cc1 254843774 OPNZRXDOKBRZSJ-UHFFFAOYSA-N 457.530 4.018 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1C[C@H]2C[C@@H](Br)C[C@H]1C2 709821246 DNYRVEMOUZUBTQ-IQJOONFLSA-N 454.533 4.333 50 10 JIGE Cn1cc(Br)c([C@@H](Br)c2cc(I)cc3c2OCC3)n1 710316013 RTNDZQAPZUEJKB-NSHDSACASA-N 497.956 4.206 50 10 JIGE C[C@@H]1C[C@H](Br)CCN1C(=O)c1ccc(I)c(Br)c1 721606022 VIEOARPHMBPAAQ-PSASIEDQSA-N 486.973 4.442 50 10 JIGE COCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)c1C 726536933 JEHGCQJNIBRHKL-CCULFSDZSA-N 477.540 4.254 50 10 JIGE Cc1ccc(COc2ccc(C=NNC(=O)CN(c3cc(C)cc(C)c3)S(C)(=O)=O)cc2)cc1 1084344432 XTVFUPPROPJBOC-UHFFFAOYSA-N 479.602 4.107 50 10 JIGE Cc1ccc(-c2csc3ncn(CC(=O)NNC(=O)c4ccc(C(C)(C)C)cc4)c(=O)c23)cc1 1860770648 QPMWSXULVZABPN-UHFFFAOYSA-N 474.586 4.192 50 10 JIGE CN(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)cc1 1865683127 GNFPQCYXACCVLW-SFHVURJKSA-N 457.431 4.373 50 10 JIGE CC(C)[C@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1cncc(Br)c1 1915296220 RODCEGZGNJBBOU-KRWDZBQOSA-N 476.234 4.455 50 10 JIGE CC(C)(C)OC(=O)N1CC(N(CC2(CBr)CCOCC2)OCc2ccccc2)C1 1974630220 DVEFDYOTSDTTHP-UHFFFAOYSA-N 469.420 4.231 50 10 JIGE O=C(CCl)c1c(I)ccc(I)c1C(F)(F)F 2060044258 FPPFUSAKKBRLPG-UHFFFAOYSA-N 474.385 4.336 50 10 JIGE C[C@@H](Br)[C@H]1CCN(C(=O)c2ccc(Br)cc2I)C1 2086140077 XQPJSBAYLLRAPW-BDAKNGLRSA-N 486.973 4.299 50 10 JIGE O=C(c1sccc1I)N1CCC2(CCC2)[C@@H](CBr)C1 2095294487 OPOJBZZJDUZNPE-JTQLQIEISA-N 454.171 4.380 50 10 JIGE CN(C(=O)c1ccc(I)c(Cl)c1)[C@H](CCBr)C(F)F 2121994313 GMSICVGVLGWJHO-SNVBAGLBSA-N 466.491 4.435 50 10 JIGE Brc1ccc(CN2CC[C@]3(C[C@H](Br)CO3)C2)c(Br)c1 2137150244 YNQPVRDKXOSCCA-JSGCOSHPSA-N 454.000 4.340 50 10 JIGE O=C(c1c(F)cccc1I)N1C[C@@H](Br)CC12CCCC2 2282811580 RQMMQZFRNXMGST-JTQLQIEISA-N 452.105 4.353 50 10 JIGE CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)NCc2ccco2)cc1 2296543630 SSHGNPKAIXQWCB-UHFFFAOYSA-N 454.486 4.174 50 10 JIGE CCCCCCOc1ccc(C=C2C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)cc1OC 2314617888 CNGRMOHECIIPFU-FQEVSTJZSA-N 452.551 4.426 50 10 JIGE CCCOc1cc(C=NNC(=O)c2cccn(Cc3ccccc3Cl)c2=O)ccc1OC 2323653133 KMJVWNHIJLWKHV-UHFFFAOYSA-N 453.926 4.111 50 10 JIGE COc1ccc(C=C(C(=O)N2CCC[C@H](C(=O)NNc3ccccn3)C2)c2ccccc2)cc1OC 2328569399 XXIDSNVUBPMUGN-QFIPXVFZSA-N 486.572 4.021 50 10 JIGE CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1cccc(OCc2ccccc2)c1 2328796557 YDRYCGCKZNQOTE-NRFANRHFSA-N 457.596 4.362 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CCC2CC1(CCl)C2 2336454782 CGCZOSUMQAEYNG-UHFFFAOYSA-N 454.533 4.287 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@@]2(CCl)CC[C@H]1C2 2336474757 AHSNPQYNSMPHJF-HZMBPMFUSA-N 454.533 4.287 50 10 JIGE O=C(NC[C@]1(F)C[C@@H](CBr)C1)c1ccc(Cl)cc1I 2340050878 WKVBPGDSMLEITA-KTLJEJPDSA-N 460.512 4.188 50 10 JIGE ClC[C@H](C[C@H]1CCOC1)NCc1ccc(I)c(Br)c1 2349860326 XBXDYUDPZUGAQV-NEPJUHHUSA-N 458.565 4.177 50 10 JIGE CC1(C)CCC[C@@]1(CBr)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364213974 DGQINPNPVYCRIB-QFIPXVFZSA-N 499.471 4.106 50 10 JIGE Clc1ccc(CN2CCCN(CCCBr)CC2)cc1I 2366624039 JGPPISIQRWRCTI-UHFFFAOYSA-N 471.608 4.237 50 10 JIGE CC(C)COc1cccc(C(=O)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)c1 10280378 VUOHWOCSMDOMAH-UHFFFAOYSA-N 452.338 4.208 50 10 JIGE COc1ccccc1OCC(=O)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 12492069 VIXBZYCZGKDBDF-UHFFFAOYSA-N 475.545 4.085 50 10 JIGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)c2ccccc2OCCOc2ccccc2)cc1 14040605 MOLLKOZUWOACND-FQEVSTJZSA-N 462.546 4.498 50 10 JIGE CCOc1ccc(/C=N/NC(=O)CSc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)cc1OC 19646077 HLNXUIWULRAABE-BRJLIKDPSA-N 494.598 4.301 50 10 JIGE COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C(\C#N)C(=O)Nc1ccc(F)cc1 39993100 PUYLISUPPAQAKU-SAPNQHFASA-N 470.460 4.489 50 10 JIGE COc1cc(/C=N/NC(=O)COc2ccccc2Cl)ccc1OCc1cccc(C(=O)O)c1 59248024 BOWYZEQOYCBNCE-LGJNPRDNSA-N 468.893 4.155 50 10 JIGE COc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)NC2CCCCC2)cc1 97426980 QLANKUQVYBTRNZ-SDXDJHTJSA-N 458.518 4.160 50 10 JIGE CNC(=O)/C(C#N)=C1\S[C@@H](Cc2cccc(C(F)(F)F)c2)C(=O)N1c1ccc(C)c(C)c1 101240763 MLQCFBNYHKKMME-ODXGNSPJSA-N 459.493 4.495 50 10 JIGE CCOc1ccc(N2C(=O)[C@H](Cc3ccccc3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242375 SCJSUFVTDUGNSQ-YDYXIROLSA-N 473.554 4.421 50 10 JIGE COc1ccc(CCNC(=O)/C(C#N)=C\N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 216915440 OMGKXWANYXMSCW-VYIQYICTSA-N 480.612 4.169 50 10 JIGE O=C(Cn1cnc2ccccc21)NN=Cc1sc(N2CCCCC2)nc1-c1cccs1 254626023 BHALRRITKDDBQW-UHFFFAOYSA-N 450.593 4.362 50 10 JIGE CC(=NNC(=O)CN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(C)(=O)=O)C(C)(C)C 254734096 RHKVQFIEQAUVSQ-UHFFFAOYSA-N 459.656 4.459 50 10 JIGE CCOc1ccccc1C=NNC(=O)/C(=C\c1ccc(N(C)C)cc1)NC(=O)c1ccccc1 254846794 XEVCEHKSTHINMI-SRHUZQGESA-N 456.546 4.073 50 10 JIGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2cc(O)ccc2[N+](=O)[O-])C1 725403880 ZYVAQNRLAXUIEL-WMLDXEAASA-N 482.274 4.088 50 10 JIGE CC(C)(CNC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1)c1ccc2c(c1)OCCO2 746875185 AOLIUCUUEICNMF-QNGOZBTKSA-N 481.556 4.236 50 10 JIGE CC(C)c1ccc([C@H](NC(=O)NNC(=O)Cc2nc3ccccc3n2C)c2cccs2)cc1 916204769 BKGCLHPDBNFHMO-DEOSSOPVSA-N 461.591 4.421 50 10 JIGE N#Cc1ccccc1COc1ccc(C=NNC(=O)c2ccc(O)cc2)cc1I 1084061318 DLZSZLZOBCHMKY-UHFFFAOYSA-N 497.292 4.211 50 10 JIGE C=CCc1ccc(OCC(=O)NNC(=O)c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)c(OC)c1 1135622434 KNVQJVVLPAWZFD-GOSISDBHSA-N 456.608 4.476 50 10 JIGE C#CCn1cc(CNC(=O)/C(C#N)=C\c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)cn1 1568545729 CLYDUOPYIHAKDK-OCKHKDLRSA-N 452.345 4.454 50 10 JIGE Cc1ccc(-c2csc3ncn(CC(=O)NNC(=O)c4ccc(Cl)c(Cl)c4)c(=O)c23)cc1 1860770786 XFYPZPXPRNXBOU-UHFFFAOYSA-N 487.368 4.201 50 10 JIGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2Cl)cc(Cl)c1O 1865707418 WSVUJTVQZMEENQ-IBGZPJMESA-N 457.317 4.479 50 10 JIGE Cc1nc(Nc2ccc(SC#N)cc2)cc(N2CCNC(=O)[C@H]2c2cn(C)c3ccccc23)n1 1868480847 VIBJAIFYGBIBGJ-XMMPIXPASA-N 469.574 4.271 50 10 JIGE C[P@]1(=O)C[C@@H](Br)[C@@H](NC(=O)c2csc(Br)c2Br)C1 2057715287 ATXDTBRRKKGASF-ZZHYIZSMSA-N 479.956 4.142 50 10 JIGE CN(C(=O)c1cc(I)ccc1Br)C1CC(CBr)C1 2073299293 GKKRQAVVHQMXOJ-UHFFFAOYSA-N 486.973 4.299 50 10 JIGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@@H](CNC(=O)[C@H](Cl)c2ccccc2)C1 2084717124 JFGGLTAIYNLDMI-FCHUYYIVSA-N 458.002 4.204 50 10 JIGE CC1(C)[C@@H](Cl)C[C@@H]1CNC(=O)c1cc(Br)ccc1I 2097953178 WZGFBZWEVQRJRT-PELKAZGASA-N 456.549 4.437 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@H]2C[C@H](Br)C[C@H]2C1 2128633369 VBAJTEVYMZHVHK-URLYPYJESA-N 498.984 4.299 50 10 JIGE O=C(c1csc(Br)c1Br)N1CCO[C@@H]2C[C@@H](Br)C[C@H]21 2128870154 OBMUBWRAAPOZBO-NBEYISGCSA-N 474.012 4.040 50 10 JIGE CN(C1(CCBr)CC1)S(=O)(=O)c1cc(Br)ccc1Br 2133543030 PVJLLLZAALNDDY-UHFFFAOYSA-N 476.028 4.150 50 10 JIGE CC(C)(C)OC(=O)NCC1(NS(=O)(=O)c2ccc(CBr)cc2)CCCCC1 2162600288 HWVWCQZCMQUXRE-UHFFFAOYSA-N 461.422 4.087 50 10 JIGE O=S(=O)([C@H]1C[C@H](OCc2ccccc2)C1)N1Cc2ccccc2[C@H](CBr)C1 2176229241 MNUHVCJDNFISLE-VAMGGRTRSA-N 450.398 4.058 50 10 JIGE FC(F)(F)c1cnc(N2C[C@H]3CC(Br)C[C@@H]3C2)c(I)c1 2185079969 REZQMBBVGUDRMI-HTQZYQBOSA-N 461.063 4.315 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CC[C@H](C(F)(F)CCl)C1 2207264383 DZXLLOOOCRIAKV-QMMMGPOBSA-N 478.502 4.390 50 10 JIGE COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cc(Br)cs2)cc1 2297298862 QOQVDBFYVHVUCY-UHFFFAOYSA-N 484.375 4.440 50 10 JIGE CC(C)(CI)CN1CCC([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 2306814565 CWUQEKOBTVNLKT-MRXNPFEDSA-N 450.405 4.417 50 10 JIGE CC(=O)OCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cc(C)ccc2C)C(C)=C(C#N)C1=O 2314620940 WPDRMIHOYKBNTN-UHFFFAOYSA-N 494.551 4.312 50 10 JIGE CCc1cccc(OCC(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccccc3)cc2OC)c1 2314736923 BPIMJGBLINRNLF-UHFFFAOYSA-N 470.525 4.465 50 10 JIGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1cccc(C)c1 2314737114 MMYWYZYYNWHJQK-UHFFFAOYSA-N 456.498 4.211 50 10 JIGE COCCCNC(=O)c1cc2ccc(OC(=O)C(C#N)=Cc3ccc(C(C)C)cc3)cc2oc1=O 2314750991 JAWYYLAHQHOYMV-UHFFFAOYSA-N 474.513 4.195 50 10 JIGE O=C(c1cc(Br)cc(Br)c1)N1C[C@H]2CC[C@@H](Br)[C@H]2C1 2328656697 KCMRUMHPMRXIEX-OXHMUOHRSA-N 451.984 4.457 50 10 JIGE O=C(N[C@H]1C[C@@H](CBr)[C@H]2C[C@H]12)c1c(Br)cccc1Br 2329870258 MXKWNWDPKXVDPF-NHRVJRKFSA-N 451.984 4.361 50 10 JIGE O=C(N[C@H]1C[C@@H](CCl)[C@@H]2C[C@H]12)c1cc(Br)ccc1I 2329875468 VDBRKQMWGDNDLX-PYSAPBNWSA-N 454.533 4.047 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@H]2C[C@@H](CCl)[C@H]2C1 2330497686 AQROFUUKXCJUER-HBNTYKKESA-N 454.533 4.001 50 10 JIGE N#CC(=C(O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2ccc(F)cc2F)cs1 2331292972 CIEONUFRXRLDNJ-UHFFFAOYSA-N 482.424 4.475 50 10 JIGE O=C(N[C@H]1CC[C@@H]2C[C@]12CBr)c1ccc(Cl)c(I)c1 2334380014 SKGFLUBZSXOHQU-LJWDBELGSA-N 454.533 4.238 50 10 JIGE COc1cccc([C@@H](C(=O)NC2CCCCC2)N(C[C@@H]2COc3ccccc3O2)C(=O)CCl)c1 3039816 AQVUANODLSKNRH-BWKNWUBXSA-N 486.996 4.093 50 10 JIGE CC[C@H](Oc1cccc(C)c1)C(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 14023427 MDZYAXCXGRBMHS-IBGZPJMESA-N 477.399 4.439 50 10 JIGE Cc1cccc(C)c1OCC(=O)NNC(=O)c1ccc(OCCC(C)C)c(Br)c1 14645594 NNQZFRWQHNZSRR-UHFFFAOYSA-N 463.372 4.331 50 10 JIGE COc1cccc(NC(=O)/C(C#N)=C\c2c(Oc3ccccc3OC)nc3c(C)cccn3c2=O)c1 39858835 XZQKPADTDBXKAB-JXAWBTAJSA-N 482.496 4.358 50 10 JIGE CC[C@H](Br)CCNS(=O)(=O)c1cc(Br)c(C)cc1Br 135166428 HGORWBLVQZMGPM-VIFPVBQESA-N 478.044 4.362 50 10 JIGE O=C(NC[C@H]1CCC[C@H]1CCl)c1cc(Br)ccc1I 236018804 DPWUVMGOLWKGKB-VHSXEESVSA-N 456.549 4.439 50 10 JIGE FC(F)c1cc(CBr)nc(I)c1I 238639685 FMLQYIHLCQOZFF-UHFFFAOYSA-N 473.824 4.123 50 10 JIGE Cc1[nH]n(-c2ccccc2)c(=O)c1C(=NNC(=O)c1cc(-c2ccccc2)n[nH]1)c1ccccc1 254570015 ZTCSYBAEDQWZON-UHFFFAOYSA-N 462.513 4.047 50 10 JIGE O=S(=O)(N[C@H]1CCC[C@H](CBr)C1)c1cc(Br)ccc1Br 312431907 LYOWATQGLDTTQW-ONGXEEELSA-N 490.055 4.444 50 10 JIGE C[C@H](NS(=O)(=O)c1cc(Br)ccc1Br)C1(CBr)CC1 696079212 PBCWWJITTLWWKN-QMMMGPOBSA-N 476.028 4.054 50 10 JIGE C[C@@H](OC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1)C(=O)Nc1ccc(F)cc1F 729344398 GHQQKZFHVFDWAI-UWCCDQBKSA-N 475.455 4.219 50 10 JIGE C=CCOc1c(CC=C)cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1OC 1084040191 ZQMDSXGORNSWKV-QHCPKHFHSA-N 452.551 4.351 50 10 JIGE CC1=C(C(=O)NN=Cc2ccc(Cl)cc2)[C@@H](c2ccc(Br)cc2)NC(=S)N1 1084512771 RXGXIVATRJFXBU-QGZVFWFLSA-N 463.788 4.046 50 10 JIGE CC(=O)c1cc(Br)ccc1OCC(=O)NNc1ccc(Br)cc1C 1446397650 JNGQNSCZWCEYOC-UHFFFAOYSA-N 456.134 4.245 50 10 JIGE CCOc1cc(C=NNC(=O)CSc2nc(C)cc(C)n2)ccc1OCc1ccc(C(=O)O)cc1 1565518981 WKYWJAGAWDIGBI-UHFFFAOYSA-N 494.573 4.012 50 10 JIGE COc1cccc(C(=O)NN=C2CCCc3oc(C(=O)N4CCc5ccccc5C4)c(C)c32)c1 1772750101 UGIDLIHBWQTAHB-UHFFFAOYSA-N 457.530 4.266 50 10 JIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2F)cc(Br)c1O 1865689789 WQMVIKVGFSXOMD-LJQANCHMSA-N 485.313 4.074 50 10 JIGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC(C)C)cc(Br)c1O 1865689811 WZVCLOJNXNDRJL-ZDUSSCGKSA-N 487.276 4.253 50 10 JIGE CCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccn2)cc1OC 1865691365 QDARTAUTMLUZGN-HXUWFJFHSA-N 496.365 4.354 50 10 JIGE COc1ccc(Br)cc1C[C@@H](Br)CN1C(=O)c2ccccc2C1=O 1888348843 WJMNUWGVHWPQEG-CYBMUJFWSA-N 453.130 4.060 50 10 JIGE Brc1cc(C[C@H]2CCOC[C@H]2Br)ccc1I 1904328564 FNCSWIOMIAULHY-MWLCHTKSSA-N 459.947 4.396 50 10 JIGE COCC1(COc2c(Br)cc(CBr)cc2Br)COC1 1907657148 XXQRPENUJNLPSY-UHFFFAOYSA-N 458.972 4.148 50 10 JIGE Cc1cc(Br)c(CBr)c(-n2cc(I)cn2)c1 1981765768 SOJZVDQVNXVTQB-UHFFFAOYSA-N 455.919 4.443 50 10 JIGE CN(CCOCc1ccccc1)S(=O)(=O)c1cc(CBr)sc1Br 1984650290 VZCZGRORQPNWKO-UHFFFAOYSA-N 483.247 4.243 50 10 JIGE C[C@H](CBr)CN(C)C(=O)c1ccc(Br)cc1I 2026220912 IFPMPMINWUJDHD-MRVPVSSYSA-N 474.962 4.157 50 10 JIGE FC(F)Oc1cc(I)c(CBr)cc1I 2060285061 UPNIMSKJSRTXNH-UHFFFAOYSA-N 488.835 4.392 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1C[C@@H]2CC[C@H](C1)C2Br 2111473240 FZNQWDVQCPIIJU-PHXKMMTBSA-N 454.533 4.190 50 10 JIGE O=C(NC[C@]1(F)C[C@@H](CBr)C1)c1cc(Cl)ccc1I 2112234573 FKIAVJBBKQSXNW-KTLJEJPDSA-N 460.512 4.188 50 10 JIGE C[C@@H]1CN(C(=O)c2cc(Br)c(Br)s2)C[C@H](CCBr)O1 2122789627 LOOOXLWRDVSJNP-SFYZADRCSA-N 476.028 4.288 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@H]2C[C@H](Cl)C[C@H]2C1 2128646976 VTJWWZNTEFMTJO-MYJAWHEDSA-N 454.533 4.143 50 10 JIGE CN([C@@H]1CCCSCC1)S(=O)(=O)c1cc(CBr)sc1Br 2179785781 QPFSYADJLHYGLV-SECBINFHSA-N 463.282 4.312 50 10 JIGE O=S(=O)(c1ccc(CBr)s1)N1[C@H]2CCC[C@H]1CN(Cc1ccccc1)CC2 2179810144 AFSHJLQVJJTUMX-ROUUACIJSA-N 469.470 4.461 50 10 JIGE C=C[C@@]1(CBr)COCCN1C(=O)c1ccc(Br)cc1Br 2199848106 JDQGTLPHMPAYGC-CQSZACIVSA-N 467.983 4.004 50 10 JIGE O=C(N[C@@H]1COC2(CCC2)[C@H]1Br)c1cccc(Br)c1Br 2206469915 BZPNTVYATSKQRA-PWSUYJOCSA-N 467.983 4.026 50 10 JIGE O=C(c1cc(I)ccc1F)N1CCC[C@@H](CCCBr)C1 2234190122 WQTYVIZNLLCNCX-LLVKDONJSA-N 454.121 4.458 50 10 JIGE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(F)(F)F)CCN1CCCCI 2248248739 PZMHQDCJVIJPHQ-OLZOCXBDSA-N 464.310 4.369 50 10 JIGE N#CC(=Cc1cc(Br)c(Br)o1)C(=O)N1CCN(c2ccccc2)CC1 2313568771 YLXKPFKWGNQXBM-UHFFFAOYSA-N 465.145 4.060 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1[C@H]2CC[C@@H]1C[C@@H]2CBr 2334379791 LSABQPWXAVBLMW-BREBYQMCSA-N 454.533 4.333 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@@]2(CCl)CC[C@H]1C2 2336475665 KNHKPDVWSPMPCB-HZMBPMFUSA-N 454.533 4.287 50 10 JIGE O=C(COc1ccc(Br)cc1Cl)NNC(=O)c1cc(Cl)cc(Cl)c1 10384628 ZFNHILXOKCFUSP-UHFFFAOYSA-N 452.519 4.249 50 10 JIGE COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)NNC(=O)c2cn(C)c3ccccc23)c1 10736597 MUQMOACYKDEHFJ-UHFFFAOYSA-N 465.513 4.114 50 10 JIGE Cc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)cc1C 12500717 LNKFXAOOJHWYMG-UHFFFAOYSA-N 474.586 4.025 50 10 JIGE COc1cc(C(=O)N/N=C/c2ccc(N3CCC(c4ccc(C)cc4)=N3)cc2)cc(OC)c1OC 15961288 JDTNEPDEZQQXHN-OGLMXYFKSA-N 472.545 4.399 50 10 JIGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)C(=O)NCc1ccco1 39850254 YAPVFDANURGXMM-CPNJWEJPSA-N 452.470 4.127 50 10 JIGE COC(=O)c1ccccc1N(C)C(=O)c1oc2c(c1C)/C(=N/NC(=O)Cc1ccccc1)CCC2 40815665 GBXMULBXIBIDJX-VFCFBJKWSA-N 473.529 4.051 50 10 JIGE C/C(=N\NC(=O)CCCSc1nnc(-c2ccc(Br)cc2)n1N)c1ccc(C)cc1 58991040 QVQYYZXCNMEPTD-BUVRLJJBSA-N 487.427 4.143 50 10 JIGE Cc1cc2ncn(CC(=O)N/N=C/c3cc(Br)cc(Br)c3O)c2cc1C 59155660 KTRRVJHDIJBWNX-QPJQQBGISA-N 480.160 4.034 50 10 JIGE CCOc1cc(/C=N/NC(=O)c2ccc3[nH]c(-c4ccccc4)nc3c2)cc([N+](=O)[O-])c1OC 169926906 YWEFKDKKSNUDFB-AFUMVMLFSA-N 459.462 4.309 50 10 JIGE COC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C\c2ccc(OC(C)C)c(OC)c2)c(OC)c1 207008028 LSAOEFZMOQEPLX-UENQDFQESA-N 451.475 4.190 50 10 JIGE COc1ccc(C=NNC(=O)c2cccnc2)cc1COc1ccc(C(=O)OCC(C)C)cc1 254301302 DBQGUXDUXRYZJR-UHFFFAOYSA-N 461.518 4.246 50 10 JIGE CCOc1cccc(C=NNC(=O)CSc2nc3ccccc3n2Cc2ccccc2)c1O 254419431 IZQDOHWMXABUIJ-UHFFFAOYSA-N 460.559 4.431 50 10 JIGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2c(O)ccc3ccccc23)c2ccccc2F)cc1 254752349 VHQNIMZKZQSXPH-UHFFFAOYSA-N 491.544 4.339 50 10 JIGE CC(=C/c1ccccc1)/C=C(/NC(=O)c1ccccc1)C(=O)NN=Cc1cc2c(cc1[N+](=O)[O-])OCO2 254794732 JWPSLLUUDCBWNN-RGOHVYLUSA-N 498.495 4.191 50 10 JIGE Cc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(O)cc3)n2-c2ccc(C)cc2)cc1 254908089 NJRXXAYMKDFFBT-UHFFFAOYSA-N 457.559 4.499 50 10 JIGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCC#N 725444600 UTGFQHGSPGMOGB-HSZRJFAPSA-N 465.550 4.079 50 10 JIGE C[C@H]1C[C@@H](C)CN(CCCCNC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)C1 920475812 GOPWQHJHOVKVMC-DSUZZUSKSA-N 458.610 4.245 50 10 JIGE C/C(=C\c1ccc(Br)o1)C(=O)NNC(=S)Nc1cccc(Br)c1 1135964627 IOVSFQJJDLEAKP-VQHVLOKHSA-N 459.163 4.226 50 10 JIGE COc1cc([C@@H]2CN(Cc3ccccc3)C[C@H]2CI)ccc1[N+](=O)[O-] 1614629513 BREYMVZOKPPVGK-SJORKVTESA-N 452.292 4.254 50 10 JIGE Cc1ccc(C(=O)NNC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2Cl)CCC3)cc1 1772744557 WTSKFGXRPHLGGQ-UHFFFAOYSA-N 478.936 4.095 50 10 JIGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2Cl)cc1O 1865682852 YXNRVEABEILFQZ-INIZCTEOSA-N 462.815 4.477 50 10 JIGE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C#N)[C@@H]3c2cc(Br)ccc2O)cc1 1865697246 YITSQPUKCCAJBH-FQEVSTJZSA-N 451.324 4.235 50 10 JIGE Cc1nc(S(=O)(=O)N(Cc2ccccc2)[C@@H](CBr)C(C)C)c(Br)n1C 1915296230 RRMSHFPYJMJJSI-HNNXBMFYSA-N 493.265 4.101 50 10 JIGE CS(=O)(=O)c1csc([C@H](Br)c2sccc2I)c1 1944541960 QPXQSCPAWMFERA-VIFPVBQESA-N 463.181 4.302 50 10 JIGE BrCC1CCN(c2ncc(I)cc2Br)CC1 1988539740 NURRLZGVRIEILU-UHFFFAOYSA-N 459.951 4.060 50 10 JIGE CN(CCOCc1ccccc1)S(=O)(=O)c1ccc(CBr)c(Br)c1 2009710298 HRDIUMJONMUBRH-UHFFFAOYSA-N 477.218 4.181 50 10 JIGE Brc1cc(I)cnc1N1C[C@@H](Br)[C@@H](C2CC2)C1 2015765002 CRQQJNLQCYHWRM-MWLCHTKSSA-N 471.962 4.058 50 10 JIGE CCOC(=O)Cc1cc(I)c(CBr)c(OC(F)(F)F)c1 2055275148 HKYLFAPLHWWZBK-UHFFFAOYSA-N 467.019 4.190 50 10 JIGE COc1c(-n2nc(CBr)c(I)c2C(F)(F)F)ccnc1C 2078923972 ONMLPFSYKJEPBJ-UHFFFAOYSA-N 476.034 4.103 50 10 JIGE Cn1ncc(Br)c1CC(CBr)(CBr)c1ccccc1 2087330815 VDKNTZNLDQXZKP-UHFFFAOYSA-N 451.000 4.453 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CC[C@H]2[C@H](C1)[C@@H]2CCl 2093129316 QYGULMBSDGTIBO-MXWKQRLJSA-N 454.533 4.001 50 10 JIGE CC1(C)CC[C@H](Br)[C@@H](CNC(=O)c2cc(I)sn2)C1 2120031738 KFOMPBLWZSRBAL-BDAKNGLRSA-N 457.175 4.067 50 10 JIGE CCN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(C)c(CBr)s1 2123242841 BKBSMNSSXKPWQB-QGZVFWFLSA-N 457.459 4.237 50 10 JIGE Cc1cc(S(=O)(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)sc1CBr 2123244284 UTRCBSPCYMIWOM-KRWDZBQOSA-N 457.459 4.237 50 10 JIGE O=C(c1scc(Br)c1Br)N1CCO[C@@H]2C[C@@H](Br)C[C@@H]21 2128876024 CVLQEVQWEFTUII-CNUIFLNQSA-N 474.012 4.040 50 10 JIGE Cc1ccc(CBr)cc1S(=O)(=O)N(C)[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 2179792060 AKYRCSFDCRYOJR-YLJYHZDGSA-N 451.430 4.173 50 10 JIGE CN(C[C@@H]1CCCSC1)S(=O)(=O)c1cc(CBr)sc1Br 2179793861 ZPJJXOOMXFNFQU-VIFPVBQESA-N 463.282 4.169 50 10 JIGE Cc1cc(C)c(S(=O)(=O)N2CCN(Cc3ccccc3)C[C@@H]2C)cc1CBr 2179860071 MSBKBKCSKRXVBA-SFHVURJKSA-N 451.430 4.093 50 10 JIGE C[C@@H](NC(=O)c1c(Br)cccc1Br)c1nnc(CBr)s1 2192602217 HURBSYXFNIVNOM-ZCFIWIBFSA-N 484.011 4.449 50 10 JIGE Cc1ccc(C(=O)N2CC[C@@H](CCBr)[C@H](C)C2)cc1I 2232830076 KTVVTFIVAMIUJD-CHWSQXEVSA-N 450.158 4.483 50 10 JIGE O=C(NC[C@H]1CC[C@H](CBr)CO1)c1cc(Br)cc(Br)c1 2279411219 UUXYAGKRYKOWTK-NOZJJQNGSA-N 469.999 4.132 50 10 JIGE C[C@@](NC[C@H]1C[C@@H](Br)C1)(C(=O)O)c1cc(Br)c(Br)s1 2350950609 XNVGEHFTRILQAN-KJNMHVQDSA-N 476.028 4.336 50 10 JIGE CC[C@@H](Br)[C@H]1CCCCN1C(=O)c1c(Br)c(Br)nn1C 2364230503 NKHMVBAFPUMEBG-RKDXNWHRSA-N 472.019 4.113 50 10 JIGE COc1ccc(C(=O)N/N=C/c2ccc(OC)c3ccccc23)cc1I 12573891 VSPXDOFZHPRQHE-WSDLNYQXSA-N 460.271 4.226 50 10 JIGE CC/C(=N\NC(=O)COc1ccc(Br)cc1Br)c1ccc(O)cc1 12584078 JTHLRWAZSIUNIS-HMMYKYKNSA-N 456.134 4.227 50 10 JIGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2OCCC)cc1 14029206 ATYLVPFJXSPSCY-UHFFFAOYSA-N 457.596 4.384 50 10 JIGE Cc1cc(C)cc(OCC(=O)NNC(=O)c2cc(Br)ccc2OCCC(C)C)c1 14650656 FGMBJNFTDKWBOZ-UHFFFAOYSA-N 463.372 4.331 50 10 JIGE COc1ccc(/C=N/NC(=O)Cc2csc(N)n2)cc1COc1cc(C)c(Cl)c(C)c1 20352307 HLSIAIINHNUUIC-KIBLKLHPSA-N 458.971 4.276 50 10 JIGE O=C(NNc1ncnc(Nc2cccc(Cl)c2Cl)c1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 40646709 XKEQLIOSOUXRRU-UHFFFAOYSA-N 464.225 4.100 50 10 JIGE O=C(NNc1ncnc(Nc2ccc(Br)cc2F)c1[N+](=O)[O-])c1cccc(Cl)c1 40658590 AUWFRCZAFYJOGX-UHFFFAOYSA-N 481.669 4.440 50 10 JIGE C/C(=N/NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1C)c1ccccc1O 101509458 GCCGSVYIQVPFHN-PKAZHMFMSA-N 458.543 4.032 50 10 JIGE Cc1ccc(S(=O)(=O)/C(C#N)=C\c2c(Oc3ccccc3)nc3c(C)cccn3c2=O)cc1 102846215 RDMQUIPPGAFFNH-QNGOZBTKSA-N 457.511 4.442 50 10 JIGE CC(C)(C)OC(=O)N1C[C@H](OCc2ccc(Br)cc2)[C@H](I)C1 231319366 HMCIRLOJFKHEGB-KGLIPLIRSA-N 482.156 4.389 50 10 JIGE FC(F)c1cc(I)c(CBr)nc1I 238681282 CMFSMBFPJMZXHY-UHFFFAOYSA-N 473.824 4.123 50 10 JIGE O=C(NN=Cc1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)C(O)(c1ccccc1)c1ccccc1 254501895 YOEDGRWWKHUAHO-UHFFFAOYSA-N 468.469 4.168 50 10 JIGE COc1ccc(CC(=O)NN=Cc2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)cc1OC 254699249 MOLAYMNUNRLLHT-UHFFFAOYSA-N 480.433 4.005 50 10 JIGE FC(F)(F)Oc1c(I)cnc(Br)c1CBr 396182922 QRXBBSBBHZKBOR-UHFFFAOYSA-N 460.813 4.242 50 10 JIGE O=C(CCl)c1cc(I)cc(Br)c1I 575686268 KTSTVUNYVFLVNH-UHFFFAOYSA-N 485.284 4.080 50 10 JIGE CCN(C[C@](C)(CI)O[C@H]1CCC[C@H](OC)C1)C(=O)OC(C)(C)C 686727378 GVGHYRFQWJOXQE-MPGHIAIKSA-N 455.377 4.411 50 10 JIGE CC[C@@H](NC(=O)c1ccc(I)c(Br)c1)[C@@H](C)Br 721580217 UQOMEZRJZZWFCO-RDDDGLTNSA-N 474.962 4.346 50 10 JIGE CCOc1cn(-c2ccccc2)nc1C(=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1 728456516 QLTKSPCEXCNWPA-UHFFFAOYSA-N 474.492 4.064 50 10 JIGE CCn1c(NNC(=O)[C@@H](Oc2ccc(F)c(Cl)c2)c2ccccc2)nc2ccccc2c1=O 730521517 JIIVEOCETUCXMU-NRFANRHFSA-N 466.900 4.472 50 10 JIGE Cc1nnnn1-c1ccc(F)c(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(F)cc3)c2C)c1 730969189 FJTGOXQQLLDLJH-WOJGMQOQSA-N 459.460 4.202 50 10 JIGE COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)OCC(=O)N3CCC(c4ccccc4)=N3)c2C)cc1 753914728 JSJKYTBNJJMKKY-KQWNVCNZSA-N 482.540 4.190 50 10 JIGE CCN(CC)C(=O)c1ccc(NC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)cc1 914466039 CLICTMIPHXVLRL-OQKWZONESA-N 466.545 4.491 50 10 JIGE Cn1ccnc1COc1ccc(NC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)cc1 918610281 FDBYARLYWMKILV-LTGZKZEYSA-N 477.528 4.322 50 10 JIGE COCc1cc(C)nc2sc(C(=O)NN=Cc3ccc(OC)c(OC)c3OC)c(-n3cccc3)c12 1081098337 FXYTUXPHXDQSNV-UHFFFAOYSA-N 494.573 4.332 50 10 JIGE COc1ccc(CC(=O)NNC(=O)c2ccc(-c3ccc(Cl)cc3Cl)nc2C)cc1OC 1865759468 BPQLFVDJXFAQIO-UHFFFAOYSA-N 474.344 4.385 50 10 JIGE CCCOc1ccc([C@@H](CC(=O)O)NC(=O)/C(C#N)=C/c2cccc(Br)c2)cc1OC 1866131096 XWUBWFAYZFPCLX-RPXHZFJKSA-N 487.350 4.486 50 10 JIGE CCOC(=O)c1c(C)nn(-c2cccc(F)c2)c1NC(=O)/C(C#N)=C/c1ccc(OC)c(OC)c1 1866133327 ZGKOTZYXYPFZLF-GZTJUZNOSA-N 478.480 4.059 50 10 JIGE C[C@@H]1C[C@H](CBr)CCN1c1ncc(I)cc1Br 1909172187 JOTHXBIZXVXJAQ-RKDXNWHRSA-N 473.978 4.449 50 10 JIGE CC1(C)C[C@H](Br)CN1C(=O)c1cc(Br)ccc1I 2037327812 GLDNXNCDRZOWBD-VIFPVBQESA-N 486.973 4.442 50 10 JIGE C[C@H](CCCCCI)NS(=O)(=O)c1cscc1Br 2054155667 SPEOJHJTFZGSFM-SECBINFHSA-N 466.204 4.173 50 10 JIGE CCOC(=O)c1c(I)ccc(CBr)c1OC(F)(F)F 2055271723 AHTILGUAHNQHEI-UHFFFAOYSA-N 452.992 4.261 50 10 JIGE CC[C@@H](C)[C@@H](CI)NC(=O)c1cc(I)ccc1F 2081244954 BFMJXIFYKWSOJH-PRHODGIISA-N 475.083 4.010 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@H]2C[C@H]1CC[C@@H]2Cl 2088641915 STVQZFIZBUMXGM-FOGDFJRCSA-N 454.533 4.286 50 10 JIGE O=C(NC[C@@H](CBr)C1CCC1)c1cc(Cl)ccc1I 2089961933 ZTZWXEQOMUEGOR-SNVBAGLBSA-N 456.549 4.486 50 10 JIGE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(F)(F)F)CCN1C[C@H](Br)C(F)(F)F 2107581543 DNQFLFFHKLNOBO-VWYCJHECSA-N 457.253 4.480 50 10 JIGE O=C(N[C@@H]1CC[C@@H]2C[C@@]21CBr)c1cc(I)ccc1Br 2132117811 YWQMZYKFIUGFTI-IHPUGEDLSA-N 498.984 4.347 50 10 JIGE C[C@@H](Cl)c1nc(=N)[nH]c(=Nc2cc(Br)c(Br)c(Br)c2)[nH]1 2151791603 XTEHGEKJLBKGQA-SCSAIBSYSA-N 486.393 4.037 50 10 JIGE CC[C@H]1CN(C(=O)OCc2ccccc2)[C@H](CC)CN1S(=O)(=O)CCC(CCl)CCl 2163052205 AZUQGYJPEYWISY-UXHICEINSA-N 479.470 4.312 50 10 JIGE Cc1sc(CBr)cc1S(=O)(=O)N(C)C[C@H]1CCCN(Cc2ccccc2)C1 2179823709 MQCRPWSONAWWEL-GOSISDBHSA-N 471.486 4.484 50 10 JIGE COc1ccc([C@@H](Cl)c2c(C)nn(C)c2Br)cc1I 2269550505 IKYQJYOZVPWOOK-GFCCVEGCSA-N 455.521 4.432 50 10 JIGE CCN(CC)c1ccc2cc(C(N)=O)c(=NNC(=O)c3ccc(-c4ccsc4)cc3)oc2c1 2297731451 MXXAJNXQJUFTOI-UHFFFAOYSA-N 460.559 4.352 50 10 JIGE COc1cc(C=C(C#N)c2ccccc2F)ccc1OC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O 2320506789 ROZNATPLMQZAFG-MRXNPFEDSA-N 470.456 4.489 50 10 JIGE COc1ccc(C=C(C#N)C(=O)NC[C@@H](c2c(F)cccc2Cl)N2CCCC2)cc1OC 2329701229 ADTPJCKDSOYEGT-FQEVSTJZSA-N 457.933 4.357 50 10 JIGE Cc1ccc(CCl)c(OCc2ncc(I)cn2)c1Br 2353070597 HPJBHUQJTUMKOX-UHFFFAOYSA-N 453.505 4.470 50 10 JIGE O=S(=O)(C1CCC(CBr)CC1)N1CC[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2355843308 MPVLHLZPMKGGLE-PXMFUHLKSA-N 455.462 4.009 50 10 JIGE C/C(=N/NC(=O)COc1c(C)cc(Br)cc1Br)c1ccc(O)cc1 12483282 HEGNWBDNUJCRAM-JAIQZWGSSA-N 456.134 4.145 50 10 JIGE Cc1cc(OCC(=O)NNC(=S)NC(=O)/C=C/c2cccc3ccccc23)cc(C)c1Cl 13979854 TZYSXTTWSQPVNR-ZHACJKMWSA-N 467.978 4.224 50 10 JIGE CCCCCOc1ccccc1C(=O)NNC(=O)COc1ccc(CC)cc1Br 14035834 UQVPYZCQAIXILL-UHFFFAOYSA-N 463.372 4.421 50 10 JIGE CCCCN1C(=O)/C(=N/NC(=O)COc2ccc(Cl)cc2Cl)c2cc(OC)ccc21 33959367 PBHYSJIFCFESEI-LKUDQCMESA-N 450.322 4.048 50 10 JIGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OC)ccc32)c1 38659708 CSPFIAYVJXVNRK-DEOSSOPVSA-N 458.470 4.150 50 10 JIGE O=C(Cc1ccccc1)NNc1ncnc(N(Cc2ccccc2)Cc2ccccc2)c1[N+](=O)[O-] 40607355 LVNSWUVEFOKUPW-UHFFFAOYSA-N 468.517 4.277 50 10 JIGE Cc1c(C(=O)Nc2ccc(F)cc2)oc2c1/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)CCC2 40813063 AFIJHZKKHUYWOQ-NLRVBDNBSA-N 450.426 4.358 50 10 JIGE Cc1c(C(=O)NC2CC(C)(C)NC(C)(C)C2)oc2c1/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)CCC2 40813084 OCHFICPXQPRWKL-TURZUDJPSA-N 495.580 4.006 50 10 JIGE O=C(CCc1ccc2c(c1)OCO2)N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 59156963 XCUMTCJUDQNCOX-ZMOGYAJESA-N 478.417 4.107 50 10 JIGE CCOc1c(Br)cc(/C=N/NC(=O)c2ccccc2OC)cc1Br 169878286 WKXNJFKNQJLPPQ-KEBDBYFISA-N 456.134 4.383 50 10 JIGE COc1ccc(-n2c(SCC(=O)NN=Cc3cccc(C)c3)nnc2-c2ccccc2)cc1 254382462 CAJIFZIADDBFKM-UHFFFAOYSA-N 457.559 4.494 50 10 JIGE O=C(CCn1nc(C(F)(F)F)cc1C1CC1)NN=Cc1c[nH]nc1-c1ccc(Cl)cc1 254865243 BKUNEIJDCIEORP-UHFFFAOYSA-N 450.852 4.363 50 10 JIGE CN1C(=O)N(c2cccc3ccccc23)[C@@H](NC(=O)NN=Cc2ccc([N+](=O)[O-])cc2)C1(C)C 254897082 HPOGEVXVZHMMFR-OAQYLSRUSA-N 460.494 4.058 50 10 JIGE CC[C@H](CBr)N(C)S(=O)(=O)c1cc(Br)c(C)cc1Br 379011466 MTEPGCRAOXSFDH-SECBINFHSA-N 478.044 4.314 50 10 JIGE COc1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)cc1 382686497 FQKZWTVATUAMGP-IEBWSBKVSA-N 451.304 4.482 50 10 JIGE CN(CCCCBr)S(=O)(=O)c1cc(Br)ccc1Br 384981166 JOXRXFQTZDLWQH-UHFFFAOYSA-N 464.017 4.007 50 10 JIGE O=[N+]([O-])c1ccc([C@H]2CN(Cc3ccccc3)C[C@H]2CI)cc1[N+](=O)[O-] 725388911 GDVKEBSJVLTNHL-HZPDHXFCSA-N 467.263 4.154 50 10 JIGE CC[C@@H](CNC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1)N1CCc2ccccc2C1 914764213 BVRUUAIRRCEIMY-CMISJSSVSA-N 478.600 4.324 50 10 JIGE N#CCCn1cc(/C=C(\C#N)C(=O)OCCNC(=O)c2cc3c(s2)CCCC3)c(-c2ccccc2)n1 920149998 HQDMRWDGAMZTIB-RCCKNPSSSA-N 499.596 4.284 50 10 JIGE Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2C=NNC(=O)c2ccccc2O)cc1 1082754364 LUVVVPAUQZINSJ-UHFFFAOYSA-N 460.511 4.385 50 10 JIGE COc1ccc(C)cc1NC(=O)c1oc2c(c1C)C(=NNC(=O)COc1ccccc1)CCC2 1772749866 QKIFASHVJCSIHD-UHFFFAOYSA-N 461.518 4.393 50 10 JIGE CC[C@@](C)(NC(=O)c1cc(C)n(-c2ccccc2F)n1)C(=O)Nc1ccc(SC#N)cc1 1867172462 RQYSBBATCOJCBM-HSZRJFAPSA-N 451.527 4.430 50 10 JIGE N#C/C(=C(/O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2cccs2)cs1 1872751083 XDBGKWZBNSSIHD-QINSGFPZSA-N 452.473 4.259 50 10 JIGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1C[C@H](Br)C1 1888788004 NBNAIKSDGMOFHG-GXZWQRSESA-N 457.368 4.346 50 10 JIGE O=S1(=O)CC([C@H](Br)c2c(Br)sc(Br)c2Cl)C1 1923073981 FGFAUEJJDZTSLH-YFKPBYRVSA-N 473.433 4.407 50 10 JIGE CCc1nc(C(=O)NC(CC)(CBr)CBr)c(Br)s1 2050333330 CXNSYIXYWJMVNH-UHFFFAOYSA-N 463.033 4.136 50 10 JIGE O=C(N[C@H]1CCC[C@@H]1CBr)c1ccc(Br)cc1I 2086147936 UPWMKMDIWOVJFF-PELKAZGASA-N 486.973 4.347 50 10 JIGE C[C@H]1[C@@H](C)N(Cc2ccccc2)[C@H](C)CN1S(=O)(=O)c1cc(CBr)cs1 2123243192 GTLDGXBNXAJZBQ-OAGGEKHMSA-N 457.459 4.315 50 10 JIGE O=S(=O)(C[C@H](Br)c1ccc(Br)cc1Br)N1CCCCC1 2145635529 HQRIEEHHVHJKAR-ZDUSSCGKSA-N 490.055 4.463 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CCC([C@H](F)CCl)CC1 2163241494 VXBDNHPDYIKOHO-GFCCVEGCSA-N 474.539 4.483 50 10 JIGE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H](Br)C2CCCC2)C[C@@H]1CC(F)(F)F 2176101246 FDEOTNKRKWNZQZ-KBPBESRZSA-N 457.331 4.340 50 10 JIGE CN(C[C@H]1C[C@H]1Br)S(=O)(=O)c1cc(CBr)c(Cl)cc1Cl 2196937469 WKSKLZHHZFOCGZ-RKDXNWHRSA-N 466.022 4.292 50 10 JIGE CC[C@H]1[C@H](Br)CCN1C(=O)c1ccc(Br)cc1I 2260360668 FQOWXPGURWWEMY-PWSUYJOCSA-N 486.973 4.442 50 10 JIGE CCOC(=O)C(C#N)=Cc1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 2313521583 XWARERITTPOSME-UHFFFAOYSA-N 461.268 4.415 50 10 JIGE CCCCCCOc1c(OC)cc(C=NNC(=O)c2cccn(C(C)C)c2=O)cc1[N+](=O)[O-] 2323631093 PPULALLMHOYAQK-UHFFFAOYSA-N 458.515 4.069 50 10 JIGE COc1c(Cl)cc(C=NNC(=O)c2nn(-c3ccccc3)c3c2CCC3)c(OC)c1Cl 2323759510 IEVDBNWONBWUTL-UHFFFAOYSA-N 459.333 4.449 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)[C@@H](Br)C2CCCC2)[C@H]1C(F)(F)F 2370169210 VQAQRVUCDHDPNR-RDBSUJKOSA-N 457.331 4.387 50 10 JIGE CC[C@@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 10295517 DHHXWTLVDYSQMF-OLZOCXBDSA-N 484.405 4.274 50 10 JIGE Cc1cc(Br)cc(C)c1O[C@H](C)C(=O)NNC(=O)c1ccccc1Br 14643361 PUVTWLBOHKXTAP-GFCCVEGCSA-N 470.161 4.057 50 10 JIGE Cc1cc2c(c(=O)o1)[C@@]1(C(=O)N(Cc3ccc(Cl)c(Cl)c3)c3ccccc31)C(C#N)=C(N)O2 16754137 VRLBQNFWUTVYSO-DEOSSOPVSA-N 480.307 4.174 50 10 JIGE Cc1cc(S(=O)(=O)C(F)(F)[C@@H](F)Cl)ccc1NC(=O)NC(=O)c1c(F)cccc1F 31500278 DCOVPDBQSQOHDS-OAHLLOKOSA-N 470.803 4.136 50 10 JIGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)cc1OC 38688599 ZGDJJCHXDFKPAE-RUZDIDTESA-N 496.475 4.248 50 10 JIGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)c1 40527360 OECLWNCUESGKPI-OWJWWREXSA-N 460.461 4.425 50 10 JIGE COc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)NCCc4cccs4)c(C)c32)c1 40822507 WJMCKMGBPMDCIP-LGUFXXKBSA-N 451.548 4.101 50 10 JIGE N#C/C(=C\c1ccc(OC(=O)c2ccccc2I)cc1)C(=O)NCc1ccco1 40935912 LDKFLDHXRXZKNW-FOWTUZBSSA-N 498.276 4.327 50 10 JIGE N#C/C(=C\c1ccccc1OCc1ccc2c(c1)OCO2)C(=O)N1CCN(c2ccccc2)CC1 59333357 HFTLCBHWFKCNSP-HAVVHWLPSA-N 467.525 4.250 50 10 JIGE Cc1cccc(OCC(=O)NN=C2C(=O)N(CCOc3ccc4ccccc4c3)c3ccccc32)c1 254482156 BSPPIIMUHJQLLS-UHFFFAOYSA-N 479.536 4.473 50 10 JIGE CCC(CBr)(CBr)NC(=O)c1sccc1I 380748734 TVXSSUFAPSRXBG-UHFFFAOYSA-N 480.991 4.021 50 10 JIGE O=C(N[C@H](CBr)C1CCCCC1)c1ccc(I)c(O)c1 395337228 VUUWHKYEAISAIJ-CYBMUJFWSA-N 452.130 4.070 50 10 JIGE O=C(c1cc(Br)sc1Br)N1CCS[C@@H](CBr)C1 720016521 SPJALBFLZRRZLC-LURJTMIESA-N 464.042 4.226 50 10 JIGE CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2ccc(=NC(=O)c3ccccc3)nc2O)C[C@@H]1N=[N+]=[N-] 1083817552 OPSBPLNFWUBXLS-YQVWRLOYSA-N 470.606 4.318 50 10 JIGE O=C1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)c2ccccc2N1Cc1ccccc1F 1084405126 XEEHEZIAUNHEIU-UHFFFAOYSA-N 465.300 4.026 50 10 JIGE CCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1cc(Br)c(O)c(OC)c1)C(C#N)=C(N)O2 1865688918 FOYAIULJIJJWTF-IBGZPJMESA-N 499.340 4.328 50 10 JIGE N#CSc1ccc(NC(=O)[C@H](NC(=O)c2cc(-c3cccnc3)on2)c2ccccc2)cc1 1867164585 RQZLNBKXYDHSKQ-JOCHJYFZSA-N 455.499 4.420 50 10 JIGE C[C@@H](CBr)N(Cc1ccccc1)C(=O)c1ccc(I)c(O)c1 1914225919 BVMUITAFIXGKHE-LBPRGKRZSA-N 474.136 4.423 50 10 JIGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 1916347667 JTZWHAAUWJRVKA-MRXNPFEDSA-N 486.160 4.410 50 10 JIGE CC(C)[C@H](CI)NC(=O)c1csc(Br)c1Br 1937737300 GYJUQYQSHABXHH-ZETCQYMHSA-N 480.991 4.463 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1C[C@H]2CC[C@@H]([C@H]1F)N2C(=O)OC(C)(C)C 2016175571 MENKFYNOZBRZNE-NCOADZHNSA-N 479.684 4.361 50 10 JIGE C[P@]1(=O)C[C@@H](Br)[C@@H](NC(=O)c2cc(Br)sc2Br)C1 2057665098 FYSFLKSSMYGUPR-ZZHYIZSMSA-N 479.956 4.142 50 10 JIGE COc1cc(C)c(-n2nc(CBr)c(I)c2C(F)(F)F)c(C)n1 2078926998 MQMFDLOVOKAURP-UHFFFAOYSA-N 490.061 4.411 50 10 JIGE CCN1CC[C@@H]([C@@H](Br)c2cccc(Br)c2Br)S1(=O)=O 2092335634 PCUNAULQQWPKBS-JQWIXIFHSA-N 476.028 4.072 50 10 JIGE O=C(NCC1(F)CC(CBr)C1)c1ccc(Br)cc1Br 2112255947 ZVFRMVBFKVIUHI-UHFFFAOYSA-N 457.963 4.455 50 10 JIGE CC[C@@]1(CBr)COCCN1C(=O)c1scc(Br)c1Br 2112719436 BHABPNFHICODED-GFCCVEGCSA-N 476.028 4.289 50 10 JIGE CCN1CCC[C@@H]([C@@H](Br)c2ccc(I)c(Cl)c2)S1(=O)=O 2145758647 KAQRBJZTZVQERH-STQMWFEESA-N 492.604 4.195 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1[C@H]2CC[C@@H]1C[C@H](Br)C2 2154911652 PUPLSJKQQKJZJK-JGPRNRPPSA-N 488.039 4.291 50 10 JIGE COCC1(COC)C[C@H](Cc2ccc(I)cc2)[C@H](Br)C1 2190834008 AZBOIPGDRPKJCJ-DZGCQCFKSA-N 453.158 4.286 50 10 JIGE COCC1(COC)C[C@H](Br)[C@@H](Cc2ccc(I)cc2)C1 2190834011 AZBOIPGDRPKJCJ-ZFWWWQNUSA-N 453.158 4.286 50 10 JIGE COc1cc(C=C(C#N)c2nc(O)c3ccc(C)cc3n2)ccc1OCC(=O)Nc1nccs1 2314487566 GCGLYZWWPJBBPA-UHFFFAOYSA-N 473.514 4.191 50 10 JIGE CN(CC1CC(Br)C1)[C@@H](CN)c1sc(Cl)cc1I 2318475460 YOIMIWPBDDSSRE-KTOWXAHTSA-N 463.610 4.111 50 10 JIGE O=C(N[C@@H]1C[C@@H](CBr)[C@H]2C[C@H]21)c1cccc(Br)c1Br 2329876950 MAEWMMZAFJYPDU-CKIYVRPFSA-N 451.984 4.361 50 10 JIGE CC(C)(C)[C@H]1[C@H](Br)CCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364213458 BHSKEHYAWCFSQN-RTBURBONSA-N 499.471 4.057 50 10 JIGE COc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(OC(=O)c4ccco4)c(OC)c2)C(C#N)=C(N)O3)cc1 8567378 QHJWECLOQWOFKL-NRFANRHFSA-N 484.468 4.124 50 10 JIGE CC[C@@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)COc2ccccc2[C@H](C)CC)c1 10670344 ZLZCOTGHKMFRIM-IAGOWNOFSA-N 457.596 4.092 50 10 JIGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)COc1cccc2ccccc12 12574079 LNIYJUQYBCAVNO-CYBMUJFWSA-N 492.384 4.015 50 10 JIGE CCCCC(=O)Nc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 13986769 MFGCQFDDYFXTQK-CYBMUJFWSA-N 452.338 4.351 50 10 JIGE Cc1ccc(NC(=O)CCC(=O)NNC(=O)c2cc(Br)ccc2OC(C)C)c(C)c1 14667975 RNZBBXPIEMSJRZ-UHFFFAOYSA-N 476.371 4.033 50 10 JIGE COc1ccc(/C(C)=N/NC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)c(OC)c1 33446038 JEESRLZTSZPXED-PCLIKHOPSA-N 474.399 4.219 50 10 JIGE COc1ccc(C(=O)Oc2ccc(/C=C(/C#N)C(=O)Nc3ccc([N+](=O)[O-])cc3OC)cc2)cc1 33780391 OFEKJEVDAIJSMG-AQTBWJFISA-N 473.441 4.377 50 10 JIGE O=S1(=O)CC[C@H](C(CBr)(CBr)Cc2ccc(Cl)cc2F)C1 164845615 UVOPEGYAFHDBRR-NSHDSACASA-N 462.606 4.233 50 10 JIGE C=CCNC(=O)c1cc2ccc(OC(=O)/C(C#N)=C\c3ccc(OCCC)cc3)cc2oc1=O 206545902 JWXACLOMAPELHW-UYRXBGFRSA-N 458.470 4.010 50 10 JIGE O=C(NC[C@H]1CCC[C@@H]1Br)c1cc(I)ccc1Br 232462192 RLZFWVVWZQXRFE-KCJUWKMLSA-N 486.973 4.347 50 10 JIGE CCOc1c(Cl)cc(C=NNC(=O)c2cccc(I)c2)cc1OC 252592743 BGIPRBPPSKNSKS-UHFFFAOYSA-N 458.683 4.116 50 10 JIGE Cl[C@H]1[C@H](Br)[C@@H](Br)[C@@H](Cl)[C@H](Br)[C@@H]1Br 261511412 KEVIWEIHWVXBPD-GTTIYYRPSA-N 468.636 4.269 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2CCC[C@@H](Br)[C@@H]2C)cc1Br 384427159 BPWOLLNIXXTYRD-VHSXEESVSA-N 490.055 4.457 50 10 JIGE FC(F)(F)c1cnc(N2CCSC[C@H]2CBr)c(I)c1 686116730 XAAAKQSMOBMGAN-MRVPVSSYSA-N 467.092 4.022 50 10 JIGE COc1ccc([C@H](Br)c2c(Br)cnn2C)c(OC)c1Br 693083024 FSTHBDJWEYYPTO-JTQLQIEISA-N 468.971 4.447 50 10 JIGE CCNC(=O)c1ccc(CNC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)cc1 916052720 HMPXJBYXDDSEJJ-STZFKDTASA-N 486.963 4.090 50 10 JIGE CC(=O)N(CCC(=O)NNC(=O)c1cc2c(s1)CC[C@H](C(C)(C)C)C2)Cc1ccccc1 1135453736 RVOWLYLJNFARKS-FQEVSTJZSA-N 455.624 4.099 50 10 JIGE CC(=O)N1Cc2ccc(NC(=O)NNc3ccc(-c4cccc(C(F)(F)F)c4)nn3)cc2C1 1476231453 CIGWMUBWJHAKCQ-UHFFFAOYSA-N 456.428 4.173 50 10 JIGE C#CCn1cc(CNC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cn1 1556465454 IMNYQPCKNHOIQQ-GRSHGNNSSA-N 452.345 4.454 50 10 JIGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)c1 1865692322 LGFPOGIEURBBJU-GOSISDBHSA-N 474.414 4.325 50 10 JIGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2)cc1OC 1865706644 BRDKGXQALPMZSI-GOSISDBHSA-N 456.424 4.186 50 10 JIGE CC(C)(NC(=O)Cc1csc(COc2ccccc2)n1)C(=O)Nc1ccc(SC#N)cc1 1866594598 JTSZIJWEJHSUBZ-UHFFFAOYSA-N 466.588 4.371 50 10 JIGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1CCC(I)CC1 1899484299 AALVVEMJMZGHHC-UHFFFAOYSA-N 498.995 4.344 50 10 JIGE O=C(N[C@@H](CBr)C(F)(F)F)c1csc(Br)c1Br 1945188844 CHJSHRIQCOHGBS-BYPYZUCNSA-N 459.907 4.329 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCNC1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 1985347333 QLELYPBZCJSBJN-HOTGVXAUSA-N 461.694 4.128 50 10 JIGE C[C@H]1CCN(c2ncc(I)cc2Br)C[C@H]1Br 1988539942 RMDSHMNRXZZMPD-OIBJUYFYSA-N 459.951 4.058 50 10 JIGE O=C(N[C@H]1CC[C@@H](Br)C1)c1cc(I)ccc1Br 2008594127 LXUWMNTZOCZFGT-APPZFPTMSA-N 472.946 4.100 50 10 JIGE CC[C@H](Br)[C@H](C)NC(=O)c1ccc(Br)cc1I 2026220016 APHUBUAUANFFEC-XVKPBYJWSA-N 474.962 4.346 50 10 JIGE CCN(CC)S(=O)(=O)C[C@@H](Br)c1cc(Br)sc1Br 2028948903 MFHNADVBRCQCNJ-MRVPVSSYSA-N 484.073 4.381 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@@H]2CC[C@H](Br)[C@H]2C1 2087938246 WEMGXWGCBLRYJH-UWJYBYFXSA-N 498.984 4.299 50 10 JIGE C[C@]12CN(C(=O)c3c(Br)cccc3Br)C[C@]1(CBr)C2 2109181494 GSFRCYGWURFNNW-UONOGXRCSA-N 451.984 4.459 50 10 JIGE BrC[C@H]1CN(Cc2ccc(Br)cc2Br)C2(CC2)CO1 2127538444 LJUUOZLEUCWDQP-LBPRGKRZSA-N 454.000 4.340 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CC[C@H](Br)[C@@H]1C1CC1 2142279793 VJWNXEAYMWBPRL-AAEUAGOBSA-N 498.984 4.442 50 10 JIGE C[C@@H]1C[C@@H](CCl)CN(C(=O)c2ccc(Br)cc2I)C1 2142286665 GNOHMPQTBIJTNI-ZJUUUORDSA-N 456.549 4.391 50 10 JIGE C[C@H]1CCCN(C(=O)Cc2ccccc2I)[C@H]1CCBr 2143871996 ATLMSXGLURXTOF-WFASDCNBSA-N 450.158 4.246 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1[C@H]2CC[C@@H]1C[C@@H](Br)C2 2154911653 PUPLSJKQQKJZJK-RTCCRHLQSA-N 488.039 4.291 50 10 JIGE Cc1sc(CBr)cc1S(=O)(=O)N1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 2179819322 KRZBIYHESDNFRQ-QZTJIDSGSA-N 469.470 4.094 50 10 JIGE O=C(c1cc(F)c(Br)cc1Cl)N1C[C@H](Br)[C@H](Br)C1 2256015511 VXDSFKZDCHQXFY-OCAPTIKFSA-N 464.354 4.224 50 10 JIGE COc1ccc([C@@H](Br)c2cn(C)c(Br)n2)cc1I 2257367347 ASQLNKFHLWCJHG-LLVKDONJSA-N 485.945 4.280 50 10 JIGE O=S1(=O)C[C@@H]2[C@H]([C@H](Cl)c3c(F)cc(Br)c(F)c3Br)[C@@H]2C1 2288347957 ZZIJYMFDIXFEAQ-JHMDGNCFSA-N 450.526 4.060 50 10 JIGE O=C(CCc1nc2ccccc2[nH]c1=O)NN=Cc1ccc(OCc2ccccc2Cl)cc1 2321685123 GLXZFMONRBZBIJ-UHFFFAOYSA-N 460.921 4.238 50 10 JIGE Clc1ccc(I)cc1CN1CCC[C@@H](OCCBr)C1 2352427175 ZOZMGQVMFSGOTN-CYBMUJFWSA-N 458.565 4.321 50 10 JIGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OC)ccc32)c1 38659710 CSPFIAYVJXVNRK-XMMPIXPASA-N 458.470 4.150 50 10 JIGE COC[C@@H](C)NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 40813649 STEXGTLQQOESCV-BDFCVOJHSA-N 452.338 4.130 50 10 JIGE COc1cc(/C=C(\C#N)c2ccccc2)ccc1OC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O 40851125 NNNOBDZHLUEOCR-TYSUYXETSA-N 452.466 4.349 50 10 JIGE Cn1c(=O)n(C)c2cc([C@@H](Br)c3csc(I)c3)ccc21 124431193 BRWSXMTWSFEAEE-CYBMUJFWSA-N 463.138 4.027 50 10 JIGE C[C@H](Br)C(C)(C)NS(=O)(=O)c1cc(Br)ccc1Br 145754202 BATGCNLQOPDUOG-ZETCQYMHSA-N 464.017 4.052 50 10 JIGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C/c2ccc(OCc3ccc(F)cc3)c(OC)c2)C1=O 214303331 CEYUKEHCOYQENU-HMAPJEAMSA-N 478.520 4.432 50 10 JIGE CCOc1ccc2ccccc2c1C=NNC(=O)CNC(=O)COc1ccc2ccccc2c1 252597241 CQGOJSQTCSBEKW-UHFFFAOYSA-N 455.514 4.037 50 10 JIGE CCN(CC)c1ccc(C=NNC(=O)c2cc(-c3c(C)nn(-c4ccccc4)c3C)n[nH]2)cc1 254855292 MOJWNMNHLFPPQC-UHFFFAOYSA-N 455.566 4.489 50 10 JIGE C[C@]1(CBr)CCN(C(=O)c2cc(Br)ccc2I)C1 381472132 LKZBJYHCHHTXIL-CYBMUJFWSA-N 486.973 4.301 50 10 JIGE COC[C@](C)(CBr)N(C)C(=O)c1cc(Br)ccc1Br 689310831 CIKSFGMLPWJRLJ-ZDUSSCGKSA-N 457.988 4.084 50 10 JIGE C[C@@H](Cl)c1nc2cc(I)ccc2n1-c1cnn(C)c1Br 694196670 IUFSBDYJOAHRAM-SSDOTTSWSA-N 465.520 4.426 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CCC[C@@H]1CCBr 721615559 RSZTYXACNFBEEH-SNVBAGLBSA-N 486.973 4.443 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N(CCBr)C1CCC1 721616295 TWQNWZOCEGBKOK-UHFFFAOYSA-N 486.973 4.443 50 10 JIGE Cc1ccc(N(CC(=O)NN=Cc2c(F)cccc2Cl)S(=O)(=O)c2ccccc2)cc1 1084189053 NDELYBPXKLEPJI-UHFFFAOYSA-N 459.930 4.133 50 10 JIGE O=C(NN=C1C(=O)N(Cc2cccc([N+](=O)[O-])c2)c2ccccc21)c1ccc(Br)cc1 1084485922 LEFKJWJNECSNFG-UHFFFAOYSA-N 479.290 4.038 50 10 JIGE CCCOc1ccc(C(=O)NNC(=O)CC23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)cc1OC 1087356439 XEBWVAQYECJKLW-SNTCSEMISA-N 479.415 4.369 50 10 JIGE CC(=O)N(CCc1ccccc1)CC(=O)NNc1ccc(Br)cc1C(F)(F)F 1292878033 RQZCLJNAOWHZER-UHFFFAOYSA-N 458.278 4.002 50 10 JIGE C=C(Cl)CSc1nc(C)c(CC(=O)NNc2cc(Cl)nc3c2c(C)nn3C)s1 1558033420 GTZURADAQDZGCS-UHFFFAOYSA-N 457.412 4.225 50 10 JIGE Cc1c(C(=O)Nc2ccccc2F)oc2c1C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772747172 LZZXEVLVVGTEIU-UHFFFAOYSA-N 464.453 4.287 50 10 JIGE COc1cccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4ccc5c(c4)OCCO5)c(C)c32)c1 1772748462 YFMQGUHXYVEMHP-UHFFFAOYSA-N 475.501 4.091 50 10 JIGE BrCC[C@H]1CSCCN1c1ncc(I)cc1Br 2015763310 WXEFRIWYCUKEDU-VIFPVBQESA-N 492.018 4.156 50 10 JIGE Cc1nn(C)c(C(=O)N(Cc2ccccc2)[C@@H](CBr)C2CC2)c1Br 2017375746 BNZCJXAJNJJPEC-HNNXBMFYSA-N 455.194 4.307 50 10 JIGE N#CC(C(=O)CN1CCN(Cc2ccccc2)CC1)=C1NC(c2ccc(Cl)cc2)=CS1 2042453726 ZYNQKJICGAZUKL-UHFFFAOYSA-N 450.995 4.097 50 10 JIGE O=C(c1cc(Br)cc(Br)c1)N1C[C@@H]2C[C@H](C[C@@H]2Br)C1 2107293573 VZELJLLTLJOSSM-DVYJOKAKSA-N 451.984 4.457 50 10 JIGE O=C(c1csc(Br)c1Br)N1CC[C@@H](OCCCBr)C1 2142053960 WLHFVOPZBFEGFG-MRVPVSSYSA-N 476.028 4.289 50 10 JIGE CC(C)(C)OC(=O)NC[C@@H]1CC[S@](=O)(=NC(=O)[C@@H](Br)C2CCCC2)C1(C)C 2167033447 RKHKKPYBNJHPGG-LSXCKUSFSA-N 465.454 4.258 50 10 JIGE CC(F)(F)[C@@H]1CCCN1S(=O)(=O)c1cc(CBr)sc1Br 2179794017 BMMWLYAIWMXDAM-VIFPVBQESA-N 453.168 4.214 50 10 JIGE Cc1cc(S(=O)(=O)N2CCC(CN(C)Cc3ccccc3)CC2)sc1CBr 2179821053 FQUKYCKHJVFLDA-UHFFFAOYSA-N 471.486 4.484 50 10 JIGE Cc1c(CBr)cc(Cl)cc1S(=O)(=O)N1CCN(Cc2ccccc2)[C@@H](C)C1 2179862050 QCALWTCUEJJKFL-HNNXBMFYSA-N 471.848 4.438 50 10 JIGE CC(C)(C)OC(=O)N[C@@H](Cc1cccc(Br)c1)C(=O)NC[C@H]1C[C@@H](Br)C1 2229114175 NOINKRBDRQAPAX-IMJJTQAJSA-N 490.236 4.175 50 10 JIGE C[C@H]1CCCN(C(=O)c2c(F)cccc2I)[C@H]1CCBr 2282808025 KLTJDNZFTWKPPC-GWCFXTLKSA-N 454.121 4.456 50 10 JIGE CC(=O)Oc1ccc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1Br 2297551604 UGNGRMCUGJJZSM-UHFFFAOYSA-N 464.659 4.482 50 10 JIGE CCCOc1c(C=NNC(=O)c2cccn(Cc3ccccc3Cl)c2=O)cccc1OC 2323652816 FJJHMWHQZDLZNC-UHFFFAOYSA-N 453.926 4.111 50 10 JIGE O=C(Oc1ccc(C=NNC(=O)c2nn(-c3ccccc3)c3c2CCC3)cc1)c1cccs1 2323763034 FEIQKUMANDPMCF-UHFFFAOYSA-N 456.527 4.406 50 10 JIGE N#CC(=CN1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)NC1CCCCCCCCCCC1 2325489399 VHWJHTXDHPEQKB-UHFFFAOYSA-N 486.682 4.190 50 10 JIGE Cn1cnc(Br)c1[C@@H](Br)c1cc2c(cc1Br)OCCO2 2362492257 KQNUYNCPPQQOPR-NSHDSACASA-N 466.955 4.201 50 10 JIGE Cc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)cc1Br 12487333 MBCZJZREXDZYSM-UHFFFAOYSA-N 466.335 4.393 50 10 JIGE O=C(CCCl)N(Cc1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1)Cc1ccco1 35769849 RCGDZLDBRVRGIE-UHFFFAOYSA-N 451.903 4.344 50 10 JIGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(F)cc4)ccc32)c(OC)c1 38656821 JSJDQFZOIIWLSA-VWLOTQADSA-N 476.460 4.045 50 10 JIGE Nc1c(NNC(=O)COc2ccc(Cl)cc2Cl)ncnc1Nc1ccccc1Cl 40781322 VXSXFROQXFITRJ-UHFFFAOYSA-N 453.717 4.285 50 10 JIGE CC[C@H](C)NC(=O)c1oc2c(c1C)/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 40823172 LLUPMRMSGGTJSP-SGTVCDHFSA-N 459.362 4.106 50 10 JIGE CCOC(=O)/C(C#N)=C/c1cccc(OC(=O)c2cc3cc(Br)ccc3oc2=O)c1 40928980 BRLRELWBPOQGDY-OVCLIPMQSA-N 468.259 4.245 50 10 JIGE COC(=O)c1cc(N/C=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc(C(=O)OC)c1 102482097 LULDTTZJFPANNM-LFIBNONCSA-N 464.459 4.268 50 10 JIGE CC(C)[C@@H](CI)NC(=O)c1cc(Br)ccc1Br 232693363 VXSBSLICFKTGBQ-LLVKDONJSA-N 474.962 4.401 50 10 JIGE CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=C/C=C\c2ccc([N+](=O)[O-])cc2)cc1 254351001 USLSIEKCVGLZAW-OOWZNPAMSA-N 483.528 4.247 50 10 JIGE COc1ccc(C=NNC(=O)c2ccc(Br)o2)cc1COCC(F)(F)C(F)F 254411290 AMBBLMORWSYHEP-UHFFFAOYSA-N 467.213 4.232 50 10 JIGE Cc1cc(I)ccc1NC(=O)CCC(=O)NN=Cc1cccc(Cl)c1 254554753 ALNYDRFFWOUKPG-UHFFFAOYSA-N 469.710 4.122 50 10 JIGE Cc1ccc(SCC(=O)NN=Cc2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)cc1 254700524 CYDQCRYYJGSOPQ-UHFFFAOYSA-N 451.523 4.394 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CCC[C@@H]1CCBr 380707418 ZAXMVMSZHXIEEC-SNVBAGLBSA-N 486.973 4.443 50 10 JIGE C[C@H](CBr)CN(C)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 689011557 UBFSEIKJJJRIAI-SSDOTTSWSA-N 454.011 4.407 50 10 JIGE N#CCCn1cc(/C=C(\C#N)C(=O)N2CCC[C@@H](CN3CCCCCC3)C2)c(-c2ccccc2)n1 728530081 CZHROKYMPXGCBC-UPQSEYGOSA-N 470.621 4.485 50 10 JIGE CC(=NNC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)c1ccccc1 1084486728 OXMJJLKCBNPUGZ-UHFFFAOYSA-N 486.391 4.185 50 10 JIGE Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1C=NNC(=O)Cc1cccc2ccccc12 1084604145 VDYGTYXXIVCSQA-UHFFFAOYSA-N 472.461 4.152 50 10 JIGE CC(=O)N[C@@H](C(=O)N1CC[C@H](O[Si](C)(C)C(C)(C)C)C1)c1cccc(Br)c1 1301523666 FZFMPXWTSWYCTC-ZWKOTPCHSA-N 455.469 4.249 50 10 JIGE C=CCn1c(S)nc2cc(C(=O)NNc3nc4cc(Cl)ccc4cc3C)ccc2c1=O 1650909753 NFYJLHDKULAVMS-UHFFFAOYSA-N 451.939 4.138 50 10 JIGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cc1 1666993037 SBUYEYBTYMPJAR-MRXNPFEDSA-N 458.474 4.318 50 10 JIGE CS(=O)(=O)c1ccc2nc(NC(=O)/C(C#N)=C/c3cccc(Br)c3)sc2c1 1866131545 AAXXQNHVDUOIML-KPKJPENVSA-N 462.350 4.008 50 10 JIGE CC[C@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)Nc1ccc(SC#N)cc1 1866878000 QGANVHOZAPAIMW-PMACEKPBSA-N 467.620 4.131 50 10 JIGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)cc1F 1872752487 FJRNDUFBNMJSEZ-JXAWBTAJSA-N 494.460 4.345 50 10 JIGE CC[C@H](C)[C@@H](C(=O)Nc1sc(/C(C)=C/C#N)c(C)c1C(=O)OC)N1C(=O)c2ccccc2C1=O 1873428011 ICDMIJKWHYCSOI-BMDBKPGCSA-N 479.558 4.419 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@@H]2CC[C@]2(CCl)C1 1903930257 DPSBUAIBZDOILZ-XPTSAGLGSA-N 454.533 4.145 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1C[C@H]2CC[C@@]2(CBr)C1 1903982871 HFHSCYSXEDEHMB-QMTHXVAHSA-N 454.533 4.192 50 10 JIGE Brc1cc(I)cnc1N1C[C@@H](Br)[C@H](C2CC2)C1 2015765000 CRQQJNLQCYHWRM-GXSJLCMTSA-N 471.962 4.058 50 10 JIGE O=C(NCc1scc(Br)c1Br)N1CCC(Br)CC1 2043801793 UBFOKALBAAFXGJ-UHFFFAOYSA-N 461.017 4.342 50 10 JIGE O=C(c1cccc(Br)c1Br)N1CC[C@H]2[C@H](C1)[C@@H]2CBr 2093124997 DTHSCHURPMVALE-IEBDPFPHSA-N 451.984 4.315 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@@H]2[C@@H](CBr)C[C@H]2C1 2117680409 GWEKIWBVNLOBSX-VDDIYKPWSA-N 498.984 4.157 50 10 JIGE Cn1nc(-n2c(CCl)nc3cc(I)c(F)cc32)cc1Br 2155771234 MHEDFMVMZUCFAE-UHFFFAOYSA-N 469.483 4.004 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1CC[C@@H](C(F)(F)CBr)C1 2197764683 VTMVLCPGYNCFEZ-MRVPVSSYSA-N 478.502 4.437 50 10 JIGE COCC(COC)CO[C@@](C)(CI)c1ccccc1Br 2207005787 SDKRQIKGOGRZRH-HNNXBMFYSA-N 457.146 4.025 50 10 JIGE Cc1cc(C(=O)N2CC[C@@H](CCBr)[C@@H](C)C2)ccc1I 2207106666 YOJZQXOXAFWOHB-QWHCGFSZSA-N 450.158 4.483 50 10 JIGE Cn1nc(Br)c([C@@H](Cl)c2sc(Br)cc2Br)n1 2210970788 UWDZNUCOVKHCHN-RXMQYKEDSA-N 450.381 4.492 50 10 JIGE CN(C[C@@H]1C[C@H]1Br)C(=O)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229124389 XNNJRESWIYIKTJ-IMJJTQAJSA-N 490.236 4.127 50 10 JIGE CN(C(=O)c1sccc1I)[C@@H](CBr)Cc1ccccc1 2296519431 GCXATMOSHOAPQU-GFCCVEGCSA-N 464.166 4.431 50 10 JIGE CN(C)C(=O)C(C#N)=Cc1ccc(OCc2ccc(F)cc2)c(I)c1 2313568734 YEEXPUMCFVBQHI-UHFFFAOYSA-N 450.251 4.004 50 10 JIGE CCOC(=O)c1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccccc3F)nc3ccccn3c2=O)cc1 2314531445 BCGIMVSSDQSDIK-UHFFFAOYSA-N 498.470 4.348 50 10 JIGE C=CCn1c(SCC(=O)NN=Cc2ccco2)nc2scc(-c3ccccc3)c2c1=O 2320486413 KUCGUJPKURBNCS-UHFFFAOYSA-N 450.545 4.146 50 10 JIGE CCN(CC)Cc1ccc(C=NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 2325903386 KAZVVTGWSJFBAI-MSOLQXFVSA-N 479.650 4.136 50 10 JIGE CC(C)(CI)CN1CC[C@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C1 2326674800 DWENMQOTKDMNKM-OLZOCXBDSA-N 478.337 4.473 50 10 JIGE CS(=O)(=O)c1ccc2nc(NC(=O)C(C#N)=Cc3ccc(Br)cc3)sc2c1 2329663584 CNMWMQGXNZOYGO-UHFFFAOYSA-N 462.350 4.008 50 10 JIGE O=S(=O)(c1cc(CBr)cs1)N1CC[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2331087934 RCUIBVAGFKRFMX-ZWKOTPCHSA-N 455.443 4.071 50 10 JIGE C=CC[C@@H](Br)[C@@H]1CCN1C(=O)c1ccc(I)c(Cl)c1 2335820061 DBOOBTDMKOLFDM-MFKMUULPSA-N 454.533 4.499 50 10 JIGE CCn1nc(Br)c(COc2ccc(Br)cc2CBr)n1 2351854780 UQCHNJALBLWUDP-UHFFFAOYSA-N 453.960 4.297 50 10 JIGE C[C@H](Br)CC1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)C1CC(OCc2ccccc2)C1 2367010204 WFIMBDYBAMTGFH-TZHPESOASA-N 456.446 4.481 50 10 JIGE Cc1ccc(C(=O)NNC(=O)c2ccc(-c3ccccc3)cc2)cc1I 12492931 FHHQZRNIHVGWFP-UHFFFAOYSA-N 456.283 4.341 50 10 JIGE COc1ccc(OC)c(Nc2ncnc(NNC(=O)c3ccc(Cl)cc3Cl)c2[N+](=O)[O-])c1 40619473 CRZYPGYXAPDPCW-UHFFFAOYSA-N 479.280 4.209 50 10 JIGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(Oc2ccccc2)c1[N+](=O)[O-] 40659539 CTKNHKSINCQGPJ-UHFFFAOYSA-N 450.238 4.006 50 10 JIGE O=P(c1ccccc1)(c1ccccc1)N1CCN(P(=O)(c2ccccc2)c2ccccc2)CC1 100740126 FIUWQFLYYPUWIM-UHFFFAOYSA-N 486.492 4.462 50 10 JIGE O=C(NNC(=O)c1ccc[nH]/c1=N\c1cccc(F)c1)c1ccc(-c2ccc(F)cc2)s1 107919411 FWDPEPLEOOZZDU-UHFFFAOYSA-N 450.470 4.329 50 10 JIGE O=C(NC1(CBr)CCC1)c1cc(Br)ccc1I 232475866 AYUXWDYFCDQOBL-UHFFFAOYSA-N 472.946 4.101 50 10 JIGE FC(F)(F)Oc1cc(CBr)c(Br)nc1I 396182452 PQDHJBTXDMNIBC-UHFFFAOYSA-N 460.813 4.242 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2C[C@@H](Br)CC[C@H]2C)cc1Br 399383299 XVYNAKBRSGRYQE-ZJUUUORDSA-N 490.055 4.457 50 10 JIGE O=C(N[C@@H](CBr)CC(F)F)c1cc(Br)sc1Br 717723039 LFEQMGYNHCLJRD-SCSAIBSYSA-N 455.944 4.422 50 10 JIGE N#CCCn1cc(/C=C(/C#N)C(=O)N2CCCN(C(=O)CC3CCCC3)CC2)c(-c2ccccc2)n1 730783952 ANXNGCNDZLMZLW-CLCOLTQESA-N 484.604 4.012 50 10 JIGE CC(C)=C1[C@H]2C=C[C@H]1[C@@H](C(=O)O)[C@H]2C(=O)NNC(=O)CCOc1cc(Cl)c(Cl)cc1Cl 1088733057 KZWCGSHLCKMHII-QTOPZTEFSA-N 487.767 4.032 50 10 JIGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc(Cl)c2)c1O 1865683274 BVPPRQSVIOOMJU-HNNXBMFYSA-N 462.815 4.477 50 10 JIGE CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865697030 UWEDHOADBQMNSQ-IBGZPJMESA-N 451.324 4.429 50 10 JIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3CC(C)C)ccc1OC(=O)c1ccccc1 1865704630 AKGDGQDNORWPRY-HSZRJFAPSA-N 458.518 4.294 50 10 JIGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)cc1 1865709014 LKLWVUIIJCKNSZ-KRWDZBQOSA-N 472.398 4.094 50 10 JIGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1cc(OC)c(O)c(OC)c1)C(C#N)=C(N)O2 1865714690 NPYCKMBKSRGISM-NRFANRHFSA-N 480.952 4.478 50 10 JIGE O=C(NC[C@@]1(CBr)C[C@@H]1C(F)(F)F)c1csc(I)c1 1877497810 WYYOZOIRFVPXEP-XVKPBYJWSA-N 468.076 4.046 50 10 JIGE CC(C)(C)OC(=O)N[C@@H](CBr)[C@@H]1CN(Cc2ccccc2)C2(CCOCC2)C1 1885093451 NHGIMTVZSZXLOI-OALUTQOASA-N 453.421 4.346 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N(C)C2(CBr)CCC2)cc1Br 1915005716 FRKDQSMSKHRLBT-UHFFFAOYSA-N 490.055 4.458 50 10 JIGE CN(C[C@H](Br)COCc1ccccc1)c1ccc(I)cn1 1916340785 ARWXTLGEYWGNGH-AWEZNQCLSA-N 461.141 4.103 50 10 JIGE O=C(CCCl)Nc1cc(Br)c(I)c(Br)c1 1931650050 NATMBBYFUFFXSK-UHFFFAOYSA-N 467.326 4.384 50 10 JIGE CC(C)[C@H](Br)CN(C)c1ncc(I)cc1Br 1988531124 OYDMODPRRLITAN-SNVBAGLBSA-N 461.967 4.304 50 10 JIGE CN(c1ncc(I)cc1Br)C1(CBr)CCC1 1988537096 XWWOIXYQRBBBBG-UHFFFAOYSA-N 459.951 4.203 50 10 JIGE Cc1cc(C=C(C#N)C(=O)OCC(=O)N[C@](C)(C#N)C(C)C)c(C)n1-c1ccc(Br)cc1 2042438690 JYVHJIJSCVRXNA-XMMPIXPASA-N 497.393 4.361 50 10 JIGE O=C(CBr)c1ccc(I)c(OC(F)F)c1Br 2054809588 HUPAXVVRERSSCX-UHFFFAOYSA-N 469.845 4.233 50 10 JIGE CCOC(=O)c1c(CBr)ccc(OC(F)(F)F)c1I 2055267344 DEIOXBDCKMMEDR-UHFFFAOYSA-N 452.992 4.261 50 10 JIGE O=S(=O)(c1cc(CBr)oc1Br)N1CCC[C@H](OCc2ccccc2)C1 2066328698 AZUMCKJKYQMHOM-AWEZNQCLSA-N 493.217 4.307 50 10 JIGE CC1(C)CC[C@@H](CO[C@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)OC1 2076724059 CQDWAQRYQCZUGK-KXBFYZLASA-N 467.388 4.413 50 10 JIGE CSCC[C@H](Br)CCNC(=O)c1cccc(F)c1I 2090386929 FERIHNLFFPCKLQ-SECBINFHSA-N 460.150 4.067 50 10 JIGE CN(C(=O)c1cc(Br)ccc1I)[C@H](CCCl)C(F)F 2122009111 OFCRFLDAUDPUEG-SNVBAGLBSA-N 466.491 4.388 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@H]1CCCNS(=O)(=O)c1ccc(CBr)cc1 2162588891 KWUDEISNLVSKPB-MRXNPFEDSA-N 461.422 4.040 50 10 JIGE Cc1oc(C)c(S(=O)(=O)N2CCC[C@@H](N(C)Cc3ccccc3)C2)c1CBr 2179785792 QTMPUHJJYXZCDJ-GOSISDBHSA-N 455.418 4.076 50 10 JIGE CN(C[C@@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1ccccc1CBr 2179811753 JSAAAXQRWOBLEV-IBGZPJMESA-N 451.430 4.114 50 10 JIGE Clc1cc(CN2C[C@H](CBr)OC3(CCC3)C2)ccc1I 2208031093 XPJYHRPHKZSVQR-LBPRGKRZSA-N 470.576 4.463 50 10 JIGE N#CC(C(N)=O)=C1S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccc(Br)cc1 2293038625 PSUIVYJVPOTSTN-INIZCTEOSA-N 462.756 4.014 50 10 JIGE Cc1cc(S(=O)(=O)N[C@@H](CCCl)COCc2ccccc2)sc1Br 2303766507 JIFQJYIGVKJKMD-AWEZNQCLSA-N 452.823 4.312 50 10 JIGE COc1ccc(NC(=O)C(C#N)=Cc2cc(Br)cc(Br)c2O)cc1 2313511206 UHWVIEIPNCSCQZ-UHFFFAOYSA-N 452.102 4.471 50 10 JIGE CCOC(=O)C(C#N)=Cc1cccc(OC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)c1 2314760015 CMXIDEYAWXWZEL-UHFFFAOYSA-N 466.449 4.176 50 10 JIGE O=S(=O)(N[C@H](CCBr)COCc1ccccc1)c1ccc(Br)cc1F 2320405794 FUUJITBHRCJPSG-OAHLLOKOSA-N 495.208 4.237 50 10 JIGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(Br)cc2)sc2c1CCN(C)C2 2329663744 IGZNYFJBJKCQQL-UHFFFAOYSA-N 474.380 4.221 50 10 JIGE CCOC(=O)c1ccc2nc(NC(=O)C(C#N)=Cc3ccc(OCCOC)cc3)sc2c1 2331124086 OPXYDUDFHIYGFY-UHFFFAOYSA-N 451.504 4.044 50 10 JIGE Cc1cc(CNCCSSCCNC(=O)OC(C)(C)C)cc(B2OC(C)(C)C(C)(C)O2)c1 2343646990 UHHWTIJVLDXXMS-UHFFFAOYSA-N 482.521 4.290 50 10 JIGE C=C[C@]1(CCl)COCCN1Cc1ccc(I)c(Br)c1 2349835586 XFXMIGJENJNMCJ-AWEZNQCLSA-N 456.549 4.050 50 10 JIGE Cc1cc(OCC(=O)N/N=C/c2ccc(Br)cc2)nc(SCc2ccccc2)n1 3047822 DBYNKBRHJGRKGR-FSJBWODESA-N 471.380 4.369 50 10 JIGE Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=S)NC(=O)c1ccc(-c2ccccc2)cc1 12500694 MDBRNRJTAKAATM-UHFFFAOYSA-N 495.004 4.370 50 10 JIGE O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)c1ccccc1Cl 12501692 HFALNAOIGQORPZ-UHFFFAOYSA-N 460.770 4.142 50 10 JIGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(C(C)(C)C)c(Br)c2)cc1 13977096 MSLHHUYWCJWSOY-UHFFFAOYSA-N 492.439 4.024 50 10 JIGE CC(C)(C)c1cc(Br)ccc1OCC(=O)NNC(=O)Cc1ccc(Cl)cc1 14668262 YKIYJMDIBNQJQA-UHFFFAOYSA-N 453.764 4.169 50 10 JIGE COc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccccc2C)cc(Br)c1O 20418432 HQCOIZMJKGHJMA-DHRITJCHSA-N 482.334 4.488 50 10 JIGE Cc1ccc(S(=O)(=O)/C(C#N)=C\c2c(Oc3ccccc3F)nc3ccccn3c2=O)cc1 33591400 UVEDXWOLBZWYMR-JXAWBTAJSA-N 461.474 4.273 50 10 JIGE CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(OC)cc3)ccc21 38650493 LNWDCEQKJIKXFB-AREMUKBSSA-N 472.497 4.296 50 10 JIGE COC(=O)c1ccc(Oc2ncnc(NNC(=O)C(c3ccccc3)c3ccccc3)c2[N+](=O)[O-])cc1 40587853 ACRBMYCBGLGHHK-UHFFFAOYSA-N 499.483 4.239 50 10 JIGE CCOC(=O)COc1ccc(Br)cc1/C=C1/C(C)=C(C#N)c2nc(N)c(C#N)c(C)c21 103653780 OTQULSHNIXDDTH-PXNMLYILSA-N 479.334 4.400 50 10 JIGE CCOc1ccc(C)cc1[C@H](C)NC(=O)/C(C#N)=C\N1CCN(c2cccc(Cl)c2)CC1 217186679 SNYWOLJCGMLZKD-BWHWTHMTSA-N 452.986 4.454 50 10 JIGE C[C@H](Br)C[C@@H](C)NC(=O)c1cc(I)ccc1Br 235400347 SUUSFJKWEGSNRY-JGVFFNPUSA-N 474.962 4.346 50 10 JIGE C[C@]1(C(=O)NN=Cc2ccc(COc3ccc(C#N)cc3)o2)CC1(Br)Br 252641299 ZBKOAKKNZYMYBP-QGZVFWFLSA-N 481.144 4.076 50 10 JIGE CCOc1ccc(C=NNC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(OC)cc2)cc1 254406709 ORIHWIXMJVDKKK-UHFFFAOYSA-N 488.569 4.035 50 10 JIGE COc1ccc(N(CC(=O)NN=Cc2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)cc1 254435087 WTGAGEVOYNHACS-UHFFFAOYSA-N 465.575 4.164 50 10 JIGE Cc1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)c(O)c1 382713082 IHZAXHFZCGIMEA-WMZOPIPTSA-N 451.304 4.488 50 10 JIGE FC(F)(F)Oc1cc(Br)c(I)c(CBr)n1 396161740 RLOTWIHHOIPWSS-UHFFFAOYSA-N 460.813 4.242 50 10 JIGE CC(=NNc1nc(=Nc2ccccc2)nc(N2CCCCC2)[nH]1)c1ccc(NC(=O)CCl)cc1 1081103576 HWTPIKGPTWLCDG-UHFFFAOYSA-N 478.988 4.041 50 10 JIGE N#C/C(=C\c1ccccc1OCc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(c2ccccc2)CC1 1083888335 DYXZPOQUJLHBSJ-PTGBLXJZSA-N 468.513 4.430 50 10 JIGE Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1C=NNC(=O)c1cc(F)c(F)cc1Cl 1084063349 XEJGEKYXFWCBNP-UHFFFAOYSA-N 478.799 4.001 50 10 JIGE C=CCOc1c(I)cc(/C=C(/C#N)C(=O)NC2CCCCC2)cc1OC 1084408142 ILUWUPCLXQNDSP-GDNBJRDFSA-N 466.319 4.220 50 10 JIGE CCOC1=C(C#N)[C@H](c2ccc(OC(C)=O)c(C(=O)O)c2)[C@@H]2C(C)=NN(c3ccccc3)[C@@H]2O1 1088699392 OSPWKRGMLJTIIU-RJGXRXQPSA-N 461.474 4.034 50 10 JIGE C#CCCCC(=O)NNC(=O)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F 1664960375 WXJYAASZIIELQR-UHFFFAOYSA-N 450.392 4.053 50 10 JIGE Cc1c(C(=O)N2CCC(C)CC2)oc2c1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772747058 KSPZLTZIXDRIRL-UHFFFAOYSA-N 485.400 4.450 50 10 JIGE COc1cccc(C=NNC(=O)CSc2nc3ccccc3[nH]2)c1OCCc1ccccc1 1772760501 CJCYFETUUSTCKI-UHFFFAOYSA-N 460.559 4.435 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2F)[C@H]1c1ccccc1C(=O)O 1865704416 VHHIKWXZGZEOEB-INIZCTEOSA-N 458.371 4.006 50 10 JIGE CN(C)c1ccc([C@H](NC(=O)/C(C#N)=C/c2ccc(Br)cc2)c2nccn2C)cc1 1866129004 XSWFLNVGUCKXAM-TVADFSRQSA-N 464.367 4.061 50 10 JIGE O=S1(=O)CCC[C@@H]1[C@H](Br)c1sc(Br)cc1Br 1922896133 CCLNHBRXSOWCSO-SVRRBLITSA-N 453.015 4.286 50 10 JIGE CC[C@@H](CBr)CN1CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC1 1954682817 SYBBMTPPUXDSTO-HNNXBMFYSA-N 450.418 4.112 50 10 JIGE CC(C)[C@H](Br)C(=O)NC1(CNC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 1987441998 PNQSEOCDNUCYQL-IBGZPJMESA-N 482.463 4.082 50 10 JIGE O=C(N[C@H](CCl)CC(F)F)c1ccc(Br)cc1I 2086138897 HSQPHWWQINYMIX-ZETCQYMHSA-N 452.464 4.046 50 10 JIGE C[C@@H](CCCCCI)NS(=O)(=O)c1cccc(Br)c1 2117895485 SBPRKPNZDRMEGB-NSHDSACASA-N 460.175 4.111 50 10 JIGE CN(C)C[C@H]1C[C@@H](Br)CN1Cc1c(Br)cccc1Br 2122367594 HNJOJHFSJNINNO-GHMZBOCLSA-N 455.032 4.111 50 10 JIGE C[C@@H]1CN(C(=O)c2scc(Br)c2Br)C[C@H](CCBr)O1 2122797125 DDRFIOMTHLLPIV-SFYZADRCSA-N 476.028 4.288 50 10 JIGE BrCCCOC1CCN(c2ncc(Br)cc2Br)CC1 2142529915 NNKPDBBYHRIHQA-UHFFFAOYSA-N 457.004 4.377 50 10 JIGE ClCc1cnc(N2CCOCC23CCN(Cc2ccccc2)CC3)c(Br)c1 2163143005 JFWWHNSILIITFO-UHFFFAOYSA-N 450.808 4.454 50 10 JIGE Cc1c(Br)cc(CBr)cc1S(=O)(=O)N1CCC(=CBr)C1 2179829087 XDIKUFHJLZDVQU-UHFFFAOYSA-N 488.039 4.326 50 10 JIGE CC(=Cc1ccccc1)C=C(NC(=O)c1ccccc1)C(=O)NN=Cc1ccc([N+](=O)[O-])cc1 2297322138 HZYYNLUGGRTLKP-UHFFFAOYSA-N 454.486 4.462 50 10 JIGE COC(=O)COc1ccc(C=C(C#N)c2nc3ccc(C)cc3[nH]2)cc1I 2297369688 YGZMDXQGJXEIND-UHFFFAOYSA-N 473.270 4.092 50 10 JIGE CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](CO)O[C@@H](n2cnc3c(N)ncnc32)[C@@H]1O[Si](C)(C)C(C)(C)C 2297748819 GAMKBDYUNFPWRM-CNVJLJKISA-N 495.773 4.079 50 10 JIGE COc1cc(C=CC(=O)NN)cc(I)c1OCc1ccc(Cl)c(Cl)c1 2314013639 BFSGWIAHPYUGGJ-UHFFFAOYSA-N 493.128 4.189 50 10 JIGE Clc1ccc(CN2[C@H](CBr)C[C@@H]3OCC[C@@H]32)cc1I 2337225945 RNBHWKIFGJGRRM-BPNCWPANSA-N 456.549 4.071 50 10 JIGE Clc1ccc(CN2C[C@@H]3CC[C@@H](CBr)O[C@@H]3C2)c(I)c1 2366720399 FDQGCMMQGQQXEB-CORIIIEPSA-N 470.576 4.319 50 10 JIGE Cc1cc(Br)ccc1OCC(=O)NNC(=O)c1ccccc1OCCOc1ccccc1 14040595 QGUXWOJYLKAMQU-UHFFFAOYSA-N 499.361 4.055 50 10 JIGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OC)cc2OC)cc1 38657157 NFSBKDRIWLINIX-MHZLTWQESA-N 486.524 4.469 50 10 JIGE O=C(Cc1ccccc1)NNc1ncnc(Nc2ccc(Cl)c(C(F)(F)F)c2)c1[N+](=O)[O-] 40659416 GQXRUIKFXSNPTQ-UHFFFAOYSA-N 466.807 4.486 50 10 JIGE Nc1c(NCc2ccc(Cl)cc2)ncnc1NNC(=O)COc1ccc(Cl)cc1Cl 40784042 JHUAOBMWAOACAD-UHFFFAOYSA-N 467.744 4.153 50 10 JIGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C/Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 101234422 FZNRQERXPMTREE-GZTJUZNOSA-N 456.380 4.318 50 10 JIGE Cn1c(=O)oc2cc([C@H](Br)c3csc(I)c3)ccc21 124428257 YFZDUUGATWVHII-LBPRGKRZSA-N 450.095 4.282 50 10 JIGE O=S(=O)(NC[C@@H]1CC[C@H](Br)C1)c1cc(Br)ccc1Br 227791611 DABHRRXYDUXEEL-BDAKNGLRSA-N 476.028 4.054 50 10 JIGE CC(C)C(=O)NNC(=O)[C@H](C)Sc1nnc(C23CC4CC(CC(C4)C2)C3)n1-c1ccccc1 253560908 BKQKISZYYSRKSV-DUXBZUBYSA-N 467.639 4.019 50 10 JIGE CCOc1ccc(C=NNC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2C)cc1 254702082 QFJYBFIADXUPRJ-UHFFFAOYSA-N 472.570 4.335 50 10 JIGE C/C(C=NNC(=O)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)=C/c1ccccc1 263627659 GSVZFVFFBZBSTG-VOVYCXIOSA-N 490.423 4.055 50 10 JIGE Cn1cc(Br)c([C@@H](Br)c2cc3c(cc2Br)OCCO3)n1 693042267 BVMYVIPNJPIQLT-LBPRGKRZSA-N 466.955 4.201 50 10 JIGE CC(C)[C@H]1CN(S(=O)(=O)c2cc(CCl)oc2Br)CCN1Cc1ccccc1 704757816 STVVNBNPXICNKR-QGZVFWFLSA-N 475.836 4.312 50 10 JIGE N#CCCn1cc(/C=C(\C#N)C(=O)N2CCO[C@H](c3cccc(F)c3)C2)c(-c2ccccc2)n1 727394243 CVHGVWDBPBEGHZ-ZBXXMNEPSA-N 455.493 4.110 50 10 JIGE CCN(Cc1ccc(Cl)cc1)C(=O)/C(C#N)=C/c1cn(CCC(N)=O)nc1-c1ccc(OC)cc1 745843381 FDOYDBQKGYCSMO-XSFVSMFZSA-N 491.979 4.043 50 10 JIGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)cc1 1083895583 JFFPVMRADNHBBN-XMMPIXPASA-N 494.548 4.374 50 10 JIGE CCOc1ccccc1C=NNC(=O)COc1ccc(Br)cc1Br 1084466708 CCNCOKAMBVWFTQ-UHFFFAOYSA-N 456.134 4.139 50 10 JIGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2cc(Cl)ccc2OC2CCCC2)cc1 1203757507 OXYUJZNOSWRZTE-OAHLLOKOSA-N 459.930 4.484 50 10 JIGE Cc1c(C(=O)NCc2ccccc2Cl)oc2c1C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772746536 DBCFZMPQIGDCSD-UHFFFAOYSA-N 494.935 4.479 50 10 JIGE C[C@H](C(=O)NCCCBr)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 1865886111 XHHYXWGQDCDYDU-RXMQYKEDSA-N 476.969 4.186 50 10 JIGE Cc1cc2nc(C(=O)N[C@@H](Cc3ccccc3)C(=O)Nc3ccc(SC#N)cc3)cc(C3CC3)n2n1 1867167232 VLIHLAKCNQDXAK-QFIPXVFZSA-N 496.596 4.468 50 10 JIGE BrC[C@@H]1CCCN1Cc1ccc(I)c(Br)c1 1904337188 DDSAXVYCTLTHHO-JTQLQIEISA-N 458.963 4.413 50 10 JIGE C[C@H]1CN(Cc2ccccc2)C[C@H](C)N(S(=O)(=O)c2ccc(CBr)cc2)C1 1921476621 GCGBGSNANPCODN-ROUUACIJSA-N 451.430 4.113 50 10 JIGE CC(C)(C)OC(=O)N1CCC(CI)(OC[C@](C)(F)C(F)(F)F)CC1 2017070406 RMGSCGLEXRLNSN-ZDUSSCGKSA-N 469.257 4.498 50 10 JIGE CCC(CBr)(CBr)NC(=O)c1ccc(I)c(C)c1 2086030144 RXARGRRSLDPGGT-UHFFFAOYSA-N 488.989 4.268 50 10 JIGE C[C@@H]1[C@H](Br)CCCN1C(=O)c1ccc(Br)cc1I 2086149807 SGGJPUILTDTMJZ-LDYMZIIASA-N 486.973 4.442 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H](CCl)C2(CC2)C1 2087795115 MIPQKQUXRWXWEL-SNVBAGLBSA-N 454.533 4.145 50 10 JIGE CCN(CC)CCN(Cc1ccccc1)S(=O)(=O)c1cc(CBr)sc1C 2123232660 ULUMJUZIQLIWAD-UHFFFAOYSA-N 459.475 4.484 50 10 JIGE O=C(c1cc(Br)c(Br)s1)N1CCO[C@@H]2C[C@@H](Br)C[C@@H]21 2128866729 HHBDPEFWDQHYRV-CNUIFLNQSA-N 474.012 4.040 50 10 JIGE O=S(=O)(C[C@@H](Br)c1ccc(Br)cc1Br)N1CCCCC1 2145635528 HQRIEEHHVHJKAR-CYBMUJFWSA-N 490.055 4.463 50 10 JIGE Cc1cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2(C)C)ccc1CBr 2179791084 MLJYDSYXIRYYNR-UHFFFAOYSA-N 451.430 4.175 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N[C@@H](CBr)CC1CC1 2277918891 VMUOHOLNXODKPX-CYBMUJFWSA-N 454.000 4.434 50 10 JIGE FC(F)(F)[C@@H](CBr)NCc1ccc(I)c(Br)c1 2306226184 YKWKEXJYFYJXKB-SECBINFHSA-N 486.895 4.469 50 10 JIGE COc1cc(C=C(C#N)C(=O)N(C)C)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2313568853 ZLNSYVMQAAJANS-UHFFFAOYSA-N 491.254 4.062 50 10 JIGE COc1ccc(-c2csc(C(C#N)=C(O)CCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)cc1F 2331337508 FJRNDUFBNMJSEZ-UHFFFAOYSA-N 494.460 4.345 50 10 JIGE Clc1ccc(CN2C[C@H](Br)C[C@]3(CCCO3)C2)cc1I 2362380326 RFKQYIOOAUAOIL-IUODEOHRSA-N 470.576 4.463 50 10 JIGE CC(C)[C@H](Br)C(C)(C)CNC(=O)c1ccc(I)c(O)c1 2365856244 LDNPIIILOMEJKD-ZDUSSCGKSA-N 454.146 4.172 50 10 JIGE Cc1cc(OCC(=O)NNC(=O)COc2ccc(Br)cc2C(C)C)cc(C)c1Cl 9231561 BBYRMCVVCMJILV-UHFFFAOYSA-N 483.790 4.448 50 10 JIGE COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)NNC(=O)c2cn(C)c3ccccc23)c1 15093149 KQEQCLWREOXION-UHFFFAOYSA-N 479.540 4.174 50 10 JIGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)/C=C\c1cccc2ccccc12 34956503 JZUYCDXCTXZZCD-ZPWFJYARSA-N 461.587 4.467 50 10 JIGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc32)cc1OC 38658678 IKMSUWWJDQKUTI-HSZRJFAPSA-N 473.441 4.049 50 10 JIGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Cl)cc(Br)c2O)cc1 58893181 YCIBVWZAYKZYRR-FIJRTHIRSA-N 455.736 4.171 50 10 JIGE O=C(Cc1ccccc1)N/N=C1\C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 100057011 HFGIJUPHSIUJDW-VYIQYICTSA-N 462.347 4.101 50 10 JIGE C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CI 196012568 MVTKNXYIDSSKJC-OBQKJFGGSA-N 456.364 4.254 50 10 JIGE CCCCCCCOc1ccc(/C=C2\C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1 214436920 FNLHKMDWJNJVLV-MOHJPFBDSA-N 482.577 4.208 50 10 JIGE COc1cc(C=NNC(=O)c2ccc(COc3c(F)c(F)c(F)c(F)c3F)cc2)ccc1O 252609851 HWGJNFSMEUMSFQ-UHFFFAOYSA-N 466.362 4.439 50 10 JIGE CCCOc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2cccc(OC)c2)cc1 254383879 NWRYMCOCTVKXAP-DYBOXTRGSA-N 457.530 4.405 50 10 JIGE Cc1cccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2cccc3ccccc23)c1 254402370 BALXRMOWAZQKIK-UHFFFAOYSA-N 450.498 4.489 50 10 JIGE COc1cc(C(=O)Oc2cccc(C=NNC(=O)COc3cc(C)ccc3C)c2)cc(OC)c1OC 254514073 LUDZPYCADAPLJC-UHFFFAOYSA-N 492.528 4.078 50 10 JIGE Cc1cc(CCl)cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1Br 311262875 AKEMBRKWGZGSFM-UHFFFAOYSA-N 457.821 4.003 50 10 JIGE Nc1ccc(I)cc1[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1CCl 382731158 UOJVUTPWULSXRN-PBHICJAKSA-N 470.738 4.464 50 10 JIGE O=C(OCc1ccccc1)N1C[C@H](c2ccc(O)c(F)c2)[C@@H](CI)C1 383437581 XXVKLGXKYZTEMM-JKSUJKDBSA-N 455.267 4.319 50 10 JIGE C[C@@H](C[C@@H](C)Br)NC(=O)c1ccc(I)c(Br)c1 721595053 SCWWCUSKJZKKIJ-SFYZADRCSA-N 474.962 4.346 50 10 JIGE CC(C)[C@H](Br)CNC(=O)c1ccc(I)c(Br)c1 721607545 ZLLYGYSHDSCLID-SNVBAGLBSA-N 474.962 4.203 50 10 JIGE C[C@]1(CBr)CCCN1S(=O)(=O)c1cc(Br)ccc1Br 722980019 JNACAQCJDBSAOK-GFCCVEGCSA-N 476.028 4.150 50 10 JIGE COc1cccc(C=NNC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)c1 1084267521 FVPPLIHNTKNXDO-UHFFFAOYSA-N 452.854 4.273 50 10 JIGE CCOC(=O)NNC(=Nc1oc(-c2ccccc2)nc1C(=O)NC(=O)c1ccccc1)c1ccccc1 1088692710 JLUDDAXMBKVWBX-UHFFFAOYSA-N 497.511 4.241 50 10 JIGE COC(=O)c1cc(CNC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)oc1C 1318438860 GOAOFYQEKUYGMJ-LICLKQGHSA-N 477.908 4.029 50 10 JIGE CC(=O)N1C[C@@H](CI)[C@@H](c2cc(C(F)(F)F)ccc2Br)C1 1614696007 WWSFISOGSXQPDN-SKDRFNHKSA-N 476.074 4.465 50 10 JIGE CC(=O)N(c1ccc(NC(=O)NNC(=O)COc2cc(C)ccc2C(C)C)cc1)[C@@H]1C[C@@H]1C 1672172705 MWIHLTUHRMDXKV-HTAPYJJXSA-N 452.555 4.111 50 10 JIGE Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccc(O)c([N+](=O)[O-])c2)cc1 1865714831 RCWINMJQLNNPDQ-QGZVFWFLSA-N 471.395 4.091 50 10 JIGE Cc1ccc(-c2csc(/C(C#N)=C(\O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n2)cc1C 1872756747 YUERTOGCPAXLIU-ZZEZOPTASA-N 460.471 4.424 50 10 JIGE O=S(=O)(N[C@@H](CCBr)COCc1ccccc1)c1cc(Br)cs1 1902837938 XNGJENPFPRTYJH-AWEZNQCLSA-N 483.247 4.159 50 10 JIGE CC(C)C[C@H](C(=O)NN(Cc1ccccc1)Cc1ccccc1)N1C(=O)c2ccccc2C1=O 1923417315 RQHSFKGXNGWOPQ-RUZDIDTESA-N 455.558 4.431 50 10 JIGE O=C(c1cc(Br)sc1Br)N1C[C@H](Br)[C@@H](Br)C1 1990922127 KYQGCHRQWATZJK-WDSKDSINSA-N 496.844 4.256 50 10 JIGE CN(c1ncc(I)cc1Br)[C@@H](CCBr)C(F)F 2015762446 LAHGZFCRIVLFRY-QMMMGPOBSA-N 483.920 4.304 50 10 JIGE BrC[C@@]12CC[C@@H](CN1c1ncc(I)cc1Br)C2 2015767604 PRFMRNDYYBUYDE-PELKAZGASA-N 471.962 4.203 50 10 JIGE C[C@](CBr)(NC(=O)c1ccc(Br)cc1I)C1CC1 2086144469 ACWGWJHCUVSUDS-CYBMUJFWSA-N 486.973 4.347 50 10 JIGE O=C(NCC1(F)CC(CCl)C1)c1ccc(I)c(Br)c1 2112238575 HFOSQDWJJKIERN-UHFFFAOYSA-N 460.512 4.141 50 10 JIGE BrC[C@@H]1CO[C@@H]2CN(Cc3c(Br)cccc3Br)C[C@@H]12 2121594687 URCMZECVNJKADT-ISTVAULSSA-N 454.000 4.053 50 10 JIGE Cc1ccc(CBr)cc1S(=O)(=O)N1C[C@@H](C)N(Cc2ccccc2)C[C@H]1C 2179789951 XUOAWZPSNWDOPA-QZTJIDSGSA-N 451.430 4.173 50 10 JIGE CCN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1c(C)oc(C)c1CBr 2179791314 PQZNFYUOQJQNBD-GOSISDBHSA-N 455.418 4.076 50 10 JIGE CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)C(=O)NC[C@H]1C[C@H](Br)C1 2229108895 CHJQKWZSZYPPPS-FVQBIDKESA-N 490.236 4.175 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1[C@H]2CC[C@H]1[C@H](F)[C@H](Br)C2 2283670270 SEUIHMOJUUYEIV-GAQJKIJGSA-N 472.523 4.423 50 10 JIGE CC(=Cc1ccccc1)C=C(NC(=O)c1ccccc1)C(=O)NN=C1C(=O)Nc2ccc(C)cc21 2297456455 SFBHLMGAUTVETR-UHFFFAOYSA-N 464.525 4.185 50 10 JIGE Cc1ccc2nc(-c3ccc(NC=C(C#N)C(=O)NCCCN4CCCC4=O)cc3)sc2c1 2324077732 NHLYEFZXSWAYNK-UHFFFAOYSA-N 459.575 4.220 50 10 JIGE CCOC(=O)c1cnn(-c2ccccc2F)c1NC(=O)C(C#N)=Cc1ccc(Br)cc1 2329665554 ZZDXPXJTWUQNPH-UHFFFAOYSA-N 483.297 4.496 50 10 JIGE COC[C@]1(CBr)C=CCN1C(=O)c1cc(Br)sc1Br 2351729164 SVJFWYQZYLZTGU-GFCCVEGCSA-N 474.012 4.065 50 10 JIGE C[C@H](Br)CN(C(=O)c1ccc(I)c(O)c1)C1CCCC1 2368847936 UOVWHGWITJFTCS-JTQLQIEISA-N 452.130 4.165 50 10 JIGE O=C(NC1CCCC1)[C@H](c1ccc(Cl)cc1)N(C[C@H]1COc2ccccc2O1)C(=O)CCl 3039476 SJMWGLRLLBNFNN-CVDCTZTESA-N 477.388 4.347 50 10 JIGE Cc1ccc(O[C@H](C)C(=O)NNC(=O)c2ccc(OCC(C)C)c(Br)c2)cc1C 10153244 ZPBXPKUGQLNLES-MRXNPFEDSA-N 463.372 4.329 50 10 JIGE CCOc1ccc(/C=N/NC(=O)COc2c(C)cc(Br)cc2Br)cc1 12483125 JVZAENAQAPKZMD-UFFVCSGVSA-N 470.161 4.448 50 10 JIGE O=C(COc1ccc2ccccc2c1Br)NNC(=O)c1ccc(OC[C@@H]2CCCO2)cc1 13619642 RKTNPHLEJIGVKD-IBGZPJMESA-N 499.361 4.000 50 10 JIGE CC(C)Oc1ccc(C(=O)NNC(=O)COc2ccc3ccccc3c2)cc1Br 14658774 ZDEMEHWSDZJYBM-UHFFFAOYSA-N 457.324 4.230 50 10 JIGE COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2ccccc2Br)cc1 27497429 IUJHYKXHGPYCHU-USSUYSNBSA-N 478.346 4.379 50 10 JIGE C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C(C#N)=C\c2ccc(OCCC)cc2)c(OC)c1 97442053 MULWEZPXPRFATC-JDOZLOAYSA-N 471.513 4.206 50 10 JIGE Cc1ccccc1OCCCN1C(=O)/C(=N/NC(=O)COc2ccc(Cl)cc2)c2ccccc21 102920574 QAKICUOHSNAGQN-XLVZBRSZSA-N 477.948 4.363 50 10 JIGE Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)c1cc2ccccc2nc1N1CCCC1 110374284 HROXCEYZENEURG-UHFFFAOYSA-N 457.559 4.342 50 10 JIGE Cc1cc(S(=O)(=O)N[C@H]2c3ccccc3C[C@@H]2Br)sc1Br 137011979 QZJISQKPAQOCBB-AAEUAGOBSA-N 451.205 4.158 50 10 JIGE CCCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(/C=C(/C#N)C(=O)OC)cc2OC)cc1 206271613 FTOCIIYSJGMGSP-GYYIQJFNSA-N 460.486 4.467 50 10 JIGE CN1C(=O)C(=NNC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2[N+](=O)[O-])c2ccccc21 254595275 JLPATVMKKDFOME-UHFFFAOYSA-N 466.538 4.184 50 10 JIGE CC(C)(C)c1ccc(C(=O)Oc2ccc(C=NNC(=O)Cn3nnc(-c4ccccc4)n3)cc2)cc1 254760152 VRLJVCRVDUHTDL-UHFFFAOYSA-N 482.544 4.007 50 10 JIGE C[C@H]1C[C@@H](Br)CN1S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 385267738 RTRUSBYFIVLBPV-POYBYMJQSA-N 451.995 4.302 50 10 JIGE C[C@@H]1CC[C@@H](Br)CN1C(=O)c1cc(I)ccc1Br 399434916 TWHOEDYMATXEIG-RKDXNWHRSA-N 486.973 4.442 50 10 JIGE N#CSc1ccc(NC(=O)c2ccc(NC(=O)N3CCN(c4ccccn4)CC3)cc2)cc1 586656938 KDFPIOLUMOMSTH-UHFFFAOYSA-N 458.547 4.261 50 10 JIGE O=C(NC[C@H]1CCCC[C@H]1CBr)c1cccc(F)c1I 721674408 ZZAYBCJKXJQCAB-WDEREUQCSA-N 454.121 4.361 50 10 JIGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)CC[C@@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 730457127 LEIOKRRDURJGLJ-KRWDZBQOSA-N 478.288 4.441 50 10 JIGE C=C(C)CN(Cc1ccc(CO)o1)C(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1 1297705427 FWWSLMAWOYCZSX-BKUYFWCQSA-N 455.518 4.061 50 10 JIGE COC(=O)c1ccccc1N(C)C(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(C)cc1)CCC2 1772745085 RRVKLRLLJGUSFQ-UHFFFAOYSA-N 473.529 4.430 50 10 JIGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(OC)cc2)cc1OCC 1865688860 CTONBNAUWWJGON-HSZRJFAPSA-N 460.534 4.459 50 10 JIGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@H](c2ccncc2)C(C#N)=C(N)O3)cc1 1865702046 LIZGRYASYBCEKY-JOCHJYFZSA-N 453.477 4.359 50 10 JIGE CC(C)([C@@H](Br)c1sc(Cl)cc1I)S(C)(=O)=O 1900919095 KHJBMVBQJSKIPA-QMMMGPOBSA-N 457.580 4.265 50 10 JIGE CC(C)C(CBr)(CBr)Cc1ncc(I)cn1 1905208597 KKWLYKMUKQHORQ-UHFFFAOYSA-N 461.967 4.056 50 10 JIGE C[C@@H](Br)CN(Cc1ccccc1)C(=O)c1cc(I)ccc1O 1914606970 FGWHRNOIFSFPQC-GFCCVEGCSA-N 474.136 4.423 50 10 JIGE O=C(N[C@H](CBr)C[C@H]1CCCO1)c1ccc(I)c(Cl)c1 1926733318 WKVOAOAKZQYKPY-WDEREUQCSA-N 472.548 4.007 50 10 JIGE CCOC(=O)c1cc(OC(F)(F)F)c(CBr)cc1I 2055275922 PVZMBJVIXVEQFL-UHFFFAOYSA-N 452.992 4.261 50 10 JIGE O=C(Cl)c1c(I)cc(OC(F)(F)F)cc1I 2060031964 GDPFSRFOZBIEOG-UHFFFAOYSA-N 476.357 4.173 50 10 JIGE O=C(CCl)c1c(I)ccc(I)c1OC(F)(F)F 2060034579 PPCBNPOMRPRSKS-UHFFFAOYSA-N 490.384 4.216 50 10 JIGE CCc1c(I)ccc(I)c1C(=O)CBr 2060148023 VRKLXBLXGPYQPN-UHFFFAOYSA-N 478.893 4.036 50 10 JIGE CN(C[C@H]1C[C@H]1Br)C(=O)c1cc(Cl)cc(Cl)c1I 2076209456 RTNQFFRWSCDQQU-HZGVNTEJSA-N 462.940 4.453 50 10 JIGE Clc1ccc(I)c(CN2CC[C@@]3(C[C@@H](Br)CO3)C2)c1 2137137357 XSPBBYYSSPECLH-BXUZGUMPSA-N 456.549 4.073 50 10 JIGE CN([C@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(CCl)c(Br)c1 2144842019 PWPXQRRNYZTIRU-SFHVURJKSA-N 471.848 4.473 50 10 JIGE Cc1cc(CBr)ccc1S(=O)(=O)N(C)C[C@@H]1CCN(Cc2ccccc2)C1 2179789456 QPTXHNUBCHFRCW-FQEVSTJZSA-N 451.430 4.033 50 10 JIGE CC1(C)CO[C@@H](CO[C@H](CI)c2ccc(Br)cc2)CO1 2179851353 KFPPTPARJNMKIL-UONOGXRCSA-N 455.130 4.136 50 10 JIGE Cc1ccc(C(=O)N2C[C@@H](CCBr)C(C)(C)C2)cc1I 2238469197 YUETXEPXLKAVLA-CYBMUJFWSA-N 450.158 4.483 50 10 JIGE CS(=O)(=O)C1CC([C@@H](Br)c2cc(Br)ccc2Br)C1 2257632506 BKNSHVRVQQCZNJ-YHBRXECLSA-N 461.013 4.471 50 10 JIGE CCn1c(SCC(=O)NN=CC=Cc2ccccc2[N+](=O)[O-])nnc1-c1ccc(C)cc1 2293760667 DEOHZSOTYANGBG-UHFFFAOYSA-N 450.524 4.089 50 10 JIGE COc1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccccc3)nc3c(C)cccn3c2=O)cc1 2296718470 JWSFTNQWQWCOSR-UHFFFAOYSA-N 452.470 4.350 50 10 JIGE O=S(=O)(Cc1ccsc1Br)N[C@@H](CCCl)COCc1ccccc1 2303764993 RWOJBSNPHLVRJM-HNNXBMFYSA-N 452.823 4.144 50 10 JIGE COc1cc(C=C(C#N)C(=O)NC(C)C)ccc1OC(=O)COc1ccc(Br)c(C)c1 2314737558 WOZGZCZYBMEUDB-UHFFFAOYSA-N 487.350 4.182 50 10 JIGE O=C(N[C@H]1C[C@@H](CBr)[C@@H]2C[C@@H]12)c1cc(Br)cc(Br)c1 2329869351 BUXKASFAYLEXOU-KNDHEWATSA-N 451.984 4.361 50 10 JIGE COC(=O)c1c(NC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)sc(C(C)=CC#N)c1C 2331560320 PNAWSGWLSVWUBL-CQSZACIVSA-N 487.965 4.424 50 10 JIGE O=C(N[C@H]1C[C@H](CBr)[C@@H]2C[C@H]12)c1ccc(Cl)c(I)c1 2334380196 YZBKZYNHWZUHLR-QYTUQVAYSA-N 454.533 4.094 50 10 JIGE Cl[C@H]1CO[C@]2(CCN(Cc3ccc(I)c(Br)c3)C2)C1 2349836195 ZAMIQYYRAMOOSB-BXUZGUMPSA-N 456.549 4.026 50 10 JIGE CCN(C[C@@](C)(CI)OCc1cnc(OC)c(F)c1)C(=O)OC(C)(C)C 2350057970 LHSNJDGCHWAJDW-GOSISDBHSA-N 482.334 4.197 50 10 JIGE CC(C)(C)OC(=O)N1CC[C@H](C(F)(F)F)N(C[C@]2(CBr)CC2(F)F)CC1 2351884963 CBDBXIWOKHTMOF-BXUZGUMPSA-N 451.274 4.280 50 10 JIGE O=C(N[C@H]1C[C@H](CBr)C12CCC2)c1cccc(F)c1I 2379717361 GELDIKBWRUPVQH-SKDRFNHKSA-N 452.105 4.114 50 10 JIGE Cc1c(NC(=S)NC[C@H](Cl)Cc2ccc(Br)cc2)c(=O)n(-c2ccccc2)n1C 3051938 BWNVPIPTLIQUFF-QGZVFWFLSA-N 493.858 4.383 50 10 JIGE COc1cc(/C=C(/C#N)c2nn(-c3ccccc3)c(N)c2C#N)cc(Br)c1OC 6906083 WCRURFAJRXGFJN-ZSOIEALJSA-N 450.296 4.170 50 10 JIGE CCOCCOc1ccccc1C(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl 9825573 XFQAPUHWTCMHBN-UHFFFAOYSA-N 455.338 4.029 50 10 JIGE Cc1ccccc1C(=O)Nc1ccc(C(=O)N/N=C/c2cc(Br)ccc2O)cc1 12578650 VEFCEARCYUMQLE-ZMOGYAJESA-N 452.308 4.479 50 10 JIGE CC(C)CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(Cl)cc1 14651228 SWGOFXGQFKPEJI-UHFFFAOYSA-N 498.830 4.477 50 10 JIGE O=C(/C=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)NNC(=O)c1ccccc1Br 26771281 QCSOTQWLSUJODS-PKNBQFBNSA-N 456.252 4.092 50 10 JIGE COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 27520881 RIIOXYXVGIQRSA-YXNRUMOYSA-N 478.892 4.178 50 10 JIGE COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3s2)c(Br)c1O 32522887 PFWKPRDOWAMUPD-UFWORHAWSA-N 452.355 4.015 50 10 JIGE C[C@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc([N+](=O)[O-])cc1 38654786 IHPVFOWFMWPYJD-PSLXWICFSA-N 475.432 4.325 50 10 JIGE O=C(CNc1cccc(N2CCCC2=O)c1)N/N=C(\C=C\c1ccc([N+](=O)[O-])cc1)c1ccccc1 59507494 JWVRGRGEHMOALR-VXBXJSJXSA-N 483.528 4.367 50 10 JIGE O=C(NCc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1 59517038 YYVMEUITFHMNIQ-MZJWZYIUSA-N 456.329 4.339 50 10 JIGE COc1cc([C@H](C(=O)NC2CCC(C)CC2)N(C(=O)CCl)C2CC2)ccc1OC(C)C 97914789 FMYJNERDXCSNJN-OGRDWSCISA-N 451.007 4.448 50 10 JIGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C\c2ccc(OCCC(C)C)c(OC)c2)cc1 207154208 ARZJRSIVXDTEHN-JCJMIAAPSA-N 492.572 4.408 50 10 JIGE CC(CBr)(CBr)NC(=O)c1cc(Br)cc(Br)c1 232761399 VBPMXIAGNLILRA-UHFFFAOYSA-N 492.831 4.490 50 10 JIGE CN(Cc1ccccc1)C1CCN(S(=O)(=O)c2cc(CCl)oc2Br)CC1 717637476 JNMTXFAYOKVMTN-UHFFFAOYSA-N 461.809 4.066 50 10 JIGE O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1 799481804 JNWUYERYSRMXGR-NRFANRHFSA-N 499.951 4.322 50 10 JIGE N#CCCn1cc(/C=C(\C#N)C(=O)NNC(=O)c2cc3c(s2)CCCCC3)c(-c2ccccc2)n1 914462628 BBNXKJRFRJQDFC-XSFVSMFZSA-N 484.585 4.162 50 10 JIGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(-c3cc(C(=O)O)ccc3C)o2)cc1 1084075055 SBWNYFKJZZTUFN-QFIPXVFZSA-N 450.491 4.316 50 10 JIGE COc1ccc(Cl)cc1NC(=O)C(=O)NN=Cc1cc(C)n(-c2cccc(Cl)c2)c1C 1084491019 OYTJSFAFRJNZTO-UHFFFAOYSA-N 459.333 4.498 50 10 JIGE Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc3c(c1)OCCO3)C(C#N)=C(N)O2 1865697740 AOGQDOTZHRHWFU-NRFANRHFSA-N 452.873 4.022 50 10 JIGE N#C/C(=C(/O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1nc(-c2ccc3c(c2)OCO3)cs1 1872752924 ZCMRNIRLRAVOJM-JWGURIENSA-N 478.486 4.233 50 10 JIGE CC[C@H](CBr)CNC(=O)c1ccc(Br)cc1I 2026219793 YSANEVPAEIWXNF-MRVPVSSYSA-N 474.962 4.205 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1C[C@@H]2[C@@H](CBr)C[C@H]2C1 2117688512 HQNNFVDICSBJHR-OUAUKWLOSA-N 454.533 4.048 50 10 JIGE Brc1ccc(CN2CCO[C@@H]3C[C@@H](Br)C[C@H]32)c(Br)c1 2128884888 QTEBTIUSDYQKNG-IACUBPJLSA-N 454.000 4.338 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CC[C@H](Cl)[C@@H]2CC[C@H]21 2142279686 SVTMHANUBGDAAD-XHVZSJERSA-N 454.533 4.286 50 10 JIGE O=S1(=O)CC[C@H](CC(CBr)(CBr)c2ccccc2Br)C1 2148772660 ZHEFBQLLXYBCRA-LLVKDONJSA-N 489.067 4.302 50 10 JIGE O=S(=O)(c1cc(Cl)c(Br)s1)N1C[C@@H]2CCC[C@@H](Br)[C@H]2C1 2150963529 BIROIDLLFHNHAI-XHNCKOQMSA-N 463.644 4.348 50 10 JIGE C[C@@]12CN(c3ncc(C(F)(F)F)cc3I)C[C@]1(CBr)C2 2165480054 DPCZQJRXVQDUJG-VXGBXAGGSA-N 461.063 4.316 50 10 JIGE CN(C(=O)c1cc(I)ccc1F)[C@@H](CCBr)C(F)(F)F 2178520709 MJHUIFWPGNOGDL-JTQLQIEISA-N 468.026 4.218 50 10 JIGE Cc1csc(CBr)c1S(=O)(=O)N1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 2179815158 KBMGNKIPVCHUIK-QZTJIDSGSA-N 469.470 4.094 50 10 JIGE O=C(NC12CCC(CBr)(CC1)C2)c1cc(I)ccc1F 2189329017 ORDQVHWQAGTNBQ-UHFFFAOYSA-N 452.105 4.258 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1CCC(F)(F)[C@H](CBr)C1 2283662662 KAKPKZNYZDVFFI-SECBINFHSA-N 478.502 4.437 50 10 JIGE N#CC(=Cc1ccc(F)cc1)C(=O)N[C@H](CC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 2329635400 BWKPCFMPKRDYFM-RUZDIDTESA-N 486.499 4.094 50 10 JIGE O=C(N[C@@H]1C[C@H](CBr)[C@@H]2C[C@@H]12)c1ccc(Cl)cc1I 2340067283 ABRGJKANDVPRLY-DRBGRCKSSA-N 454.533 4.094 50 10 JIGE Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)S(=O)(=O)c2ccccc2)c1C 2415647 OWDXKMVQISDGSY-HKWRFOASSA-N 457.511 4.442 50 10 JIGE CC(C)COc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(-c3ccccc3)cc2)c1 10283756 CCKSAIQSZKXYTL-UHFFFAOYSA-N 477.586 4.103 50 10 JIGE COc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(C(=O)O)c1OC 12471191 UBCQFXARXCWOCL-JFLMPSFJSA-N 455.470 4.381 50 10 JIGE CCOC(=O)c1cc(N/C=C2/C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)ccc1Cl 103646365 IMIPJHAJDGKQHB-RCCKNPSSSA-N 463.921 4.264 50 10 JIGE COc1ccc(/C=N\NC(=O)c2cccn(Cc3ccc(Cl)cc3)c2=O)cc1OC(C)C 169920338 WBOOLRJKKNTQMN-WGARJPEWSA-N 453.926 4.110 50 10 JIGE COc1ccccc1/C=C(/C#N)C(=O)Oc1ccc(/C=C(\C#N)C(=O)NCc2ccccc2)cc1OC 206397873 CHISHYKHNSMENG-LDMICZAYSA-N 493.519 4.440 50 10 JIGE O=C(COc1ccc(C=NNC(=O)c2cc3ccccc3cc2O)cc1)NCCc1ccccc1 254593457 NIWHFFIJEXEMGH-UHFFFAOYSA-N 467.525 4.047 50 10 JIGE O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)NN=Cc1cccc2ccccc12 254826868 AGXFQLRUOUNVLC-UHFFFAOYSA-N 457.555 4.181 50 10 JIGE C[C@@H]1CN(C(=O)c2cc(I)ccc2Br)C[C@@H]1CBr 709085046 GNFLDHIJXUNNDO-BDAKNGLRSA-N 486.973 4.157 50 10 JIGE C#CC[C@@]1(C(=O)NNc2ccc(Br)cc2Cl)CCCN1C(=O)OC(C)(C)C 1160441567 RFCBNVOBBLWUNJ-IBGZPJMESA-N 456.768 4.339 50 10 JIGE N#Cc1cc(Br)ccc1OCC(=O)NN=Cc1cccc(OC(=O)c2cccc(F)c2)c1 1565517563 NWUDFUQEROSSRQ-UHFFFAOYSA-N 496.292 4.208 50 10 JIGE COc1ccc2c(c1)C(=NNC(=O)[C@H](C)Oc1ccc(Cl)cc1C)C(=O)N2CCC(C)C 1772719925 UJDVNEZVDRIBNQ-INIZCTEOSA-N 457.958 4.338 50 10 JIGE COC[C@@H](C)NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772748713 STEXGTLQQOESCV-LLVKDONJSA-N 452.338 4.130 50 10 JIGE Cc1nc(I)c(I)n1-c1ccccc1CCl 1936388899 QXZFDZHMIOZFMK-UHFFFAOYSA-N 458.468 4.129 50 10 JIGE O=C(c1cc(Br)cc(Br)c1)N1CCC(I)CC1 2021449496 VHNRDXDPOKDHNY-UHFFFAOYSA-N 472.946 4.251 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@@H]2C[C@H](C[C@@H]2Cl)C1 2142285017 KJHBHPZEMIHDKJ-PTRXPTGYSA-N 454.533 4.143 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@H](Br)C2(CCC2)C1 2142285662 SIKNHLIELGQJRP-LBPRGKRZSA-N 498.984 4.443 50 10 JIGE COc1cc(C[C@@H](Cl)c2ccc(Br)cc2I)ncn1 2142285703 SXDFPEMZORMLJJ-LLVKDONJSA-N 453.505 4.375 50 10 JIGE O=C(c1cccc(F)c1I)N1[C@H](CBr)C[C@@H]2CCC[C@@H]21 2164661504 GCBKCHXHHRFXRX-KWBADKCTSA-N 452.105 4.208 50 10 JIGE O=C(c1cc(I)ccc1F)N1C[C@@H](Br)CC2(CCC2)C1 2169666440 UPLVTPXJOVTUOO-JTQLQIEISA-N 452.105 4.210 50 10 JIGE CCN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(F)c(CBr)c1 2179787038 JIAVLIQLHWNZCT-GOSISDBHSA-N 455.393 4.006 50 10 JIGE CC1(C)CN(Cc2ccccc2)CCN(S(=O)(=O)C2CCC(CBr)CC2)C1 2179827363 DKNUTNWFTZPMFE-UHFFFAOYSA-N 457.478 4.114 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@@H]2CC(Br)C[C@H]2C1 2185090769 BLVGUAAMKMQFNS-IUCAKERBSA-N 488.039 4.006 50 10 JIGE C[C@@H](Br)CN(CCC(C)(C)C)C(=O)c1cc(I)sn1 2272439516 QYBZDGVQPKWAEK-SECBINFHSA-N 459.191 4.410 50 10 JIGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCCCn2ccnc2)cc1 2296727643 UAQFNGPOPAQXQO-UHFFFAOYSA-N 466.545 4.248 50 10 JIGE COc1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(F)cc3)nc3c(C)cccn3c2=O)cc1 2296846350 DMHPNNNWWGPVLI-UHFFFAOYSA-N 470.460 4.489 50 10 JIGE C[C@H]1Cc2cc(C=C(C#N)C(=O)Nc3sc4c(c3C(=O)NC[C@H]3CCCO3)CCCC4)ccc2O1 2314617631 LQKWOKJPDFUYIM-OXJNMPFZSA-N 491.613 4.405 50 10 JIGE O=S(=O)(N[C@@H](CCCl)COCc1ccccc1)c1ccc(Br)cc1F 2320663256 PLORLMZMCHYOAG-HNNXBMFYSA-N 450.757 4.081 50 10 JIGE COc1cc(C=NNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)ccc1OCc1ccccc1 2328833126 FCLIUFRUQISEGG-QFIPXVFZSA-N 455.555 4.274 50 10 JIGE Cc1c(Br)csc1C(=O)NCC(F)(F)C(F)(F)CI 2336531741 MASXXQDXEVYJNX-UHFFFAOYSA-N 474.055 4.254 50 10 JIGE C[C@@H](CBr)CS(=O)(=O)N(C)Cc1c(Br)cccc1Br 2340635777 LPCMSNJORBLBEO-VIFPVBQESA-N 478.044 4.004 50 10 JIGE Cc1cc(Cl)ccc1OCC(=O)NNC(=O)c1ccc(OCC(C)C)c(Br)c1 14652975 SMGLGDCTSSJZKA-UHFFFAOYSA-N 469.763 4.286 50 10 JIGE C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)NN(Cc2ccccc2)c2ccccc2)C1=O 68741606 UDKDWPBZIDZFAQ-LJAQVGFWSA-N 478.552 4.345 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)NCC2(CCBr)CC2)cc1Br 97908281 XXYWPFGCKWHBCW-UHFFFAOYSA-N 490.055 4.364 50 10 JIGE C[C@@H]1CN(C(=O)/C(C#N)=C2/N=C(NC(=O)c3ccc(Cl)cc3Cl)c3ccccc32)C[C@@H](C)O1 228936335 YCXPLKUXWIZFDJ-QPKHZKEOSA-N 483.355 4.054 50 10 JIGE CC(=NNC(=O)c1ccc(CN2c3cccc4cccc(c34)S2(=O)=O)cc1)c1ccc2c(c1)OCO2 254341126 NCTMWIZPTUQVEU-UHFFFAOYSA-N 499.548 4.431 50 10 JIGE CC(=NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2C)c1)c1ccc(C)c([N+](=O)[O-])c1 254795510 PBOUNRGWIUMRHN-UHFFFAOYSA-N 480.546 4.475 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@H]2C[C@@H](Br)C[C@H]1C2 709823173 STYOUAHCWMFPFU-IQJOONFLSA-N 498.984 4.442 50 10 JIGE CCN(C[C@@H](C)Br)C(=O)c1ccc(I)c(Br)c1 721622656 RZVFRQNLHZOZKU-MRVPVSSYSA-N 474.962 4.299 50 10 JIGE O=C(NN=C1C(=O)N(Cc2cccc([N+](=O)[O-])c2)c2ccccc21)c1cccc2ccccc12 1084082548 MSEFLVGXSGIGJC-UHFFFAOYSA-N 450.454 4.429 50 10 JIGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)c(C)c3)c2C)S(C)(=O)=O)c(C)c1 1084367518 SNJGHXJCVLYPTC-UHFFFAOYSA-N 480.634 4.244 50 10 JIGE O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)NN=Cc1ccc(Cl)c(Cl)c1 1084492885 JPRYIYSMMKWVPK-UHFFFAOYSA-N 490.412 4.377 50 10 JIGE COc1ccc(NC(=O)NN=C(c2ccc(Cl)cc2)c2ccc(OS(C)(=O)=O)cc2)cc1 1088668293 DMQVWEKCQSQCEM-UHFFFAOYSA-N 473.938 4.261 50 10 JIGE COc1ccc(N2CCN(C(=O)[C@H](Br)Cc3ccccc3Br)CC2)cc1 1858181693 ZRPMICOMTJYEPW-LJQANCHMSA-N 482.216 4.113 50 10 JIGE Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865714093 CJBUEPYLGXTDFQ-LJQANCHMSA-N 472.288 4.379 50 10 JIGE CCOC(=O)c1cnn(-c2cccc(Cl)c2)c1NC(=O)/C(C#N)=C/c1ccc(OC)c(OC)c1 1866132881 HLTWEDJALJYWEV-MHWRWJLKSA-N 480.908 4.265 50 10 JIGE CC1(C)CN(S(=O)(=O)c2ccc(CBr)s2)CCCN1Cc1ccccc1 1879332067 WNHYREKPSYQOSQ-UHFFFAOYSA-N 457.459 4.318 50 10 JIGE CC(C)[C@H](CI)NCc1ccc(Cl)cc1I 1901949883 PJBXNRGDDLCLEM-LBPRGKRZSA-N 463.528 4.494 50 10 JIGE CCN1CC[C@@H]([C@@H](Br)c2cc(Br)sc2Br)S1(=O)=O 2029062419 RGYOGRAXHJEYLO-CBAPKCEASA-N 482.057 4.133 50 10 JIGE C[C@H]1[C@@H](Br)CCCN1C(=O)c1ccc(Br)cc1I 2086149806 SGGJPUILTDTMJZ-KWQFWETISA-N 486.973 4.442 50 10 JIGE C[C@@H]1CN(S(=O)(=O)c2cc(Cl)c(Br)s2)CC[C@@H]1CBr 2109036995 WWXBSDJLYDQHGS-HTQZYQBOSA-N 451.633 4.206 50 10 JIGE O=C(N[C@@]12CC[C@@](CBr)(C1)OC2)c1csc(Br)c1Br 2133666427 SQGTVVOKINTFFV-RYUDHWBXSA-N 474.012 4.090 50 10 JIGE CN(CCc1ccsc1)S(=O)(=O)c1cc(CBr)sc1Br 2179785319 KKPVZPGQCZQXSI-UHFFFAOYSA-N 459.250 4.330 50 10 JIGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)c(Cl)c1O 2313567558 LUCIGEBBWNRTOF-UHFFFAOYSA-N 490.785 4.463 50 10 JIGE Cn1nc(Br)c(Br)c1[C@@H](Br)c1ccc2c(c1)OCCO2 2364228686 PPELSOMRGZAIHQ-JTQLQIEISA-N 466.955 4.201 50 10 JIGE C=CCOc1ccccc1C(=O)NNC(=S)NC(=O)CCCOc1ccc(Cl)cc1Cl 14024123 VLIGATVQWIIGNY-UHFFFAOYSA-N 482.389 4.053 50 10 JIGE Cc1cccc(C)c1O[C@H](C)C(=O)NNC(=O)COc1ccc2ccccc2c1Br 14639226 RXHYFWAWDUBVTI-MRXNPFEDSA-N 471.351 4.213 50 10 JIGE CCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(Cl)cc1C 14652682 CPPFGXJNFUOCNW-UHFFFAOYSA-N 455.736 4.040 50 10 JIGE Cc1cccc(-c2n[nH]c(=S)n2CC(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)c1 17200622 OCLAEDHZFXIDHK-UHFFFAOYSA-N 491.548 4.095 50 10 JIGE O=C(NNc1ncnc(Nc2cccc([N+](=O)[O-])c2)c1[N+](=O)[O-])c1ccc(Cl)cc1Cl 40648855 OIOCRSGXIUHURK-UHFFFAOYSA-N 464.225 4.100 50 10 JIGE CC(C)(C)c1ccc(OCCN2C(=O)/C(=N/NC(=O)c3ccc(O)cc3)c3ccccc32)cc1 102769569 CXVOXBQSUSWTOM-ZZIIXHQDSA-N 457.530 4.249 50 10 JIGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccccc1C 206733914 BZYNLQQQHKMXEE-MOSHPQCFSA-N 460.486 4.195 50 10 JIGE CCN(CC)c1c(/C=N/NC(=O)CSc2nc3ccccc3n2C)c(C)nn1-c1ccccc1 253560508 AXIAHMRSCHOBJI-WGOQTCKBSA-N 475.622 4.156 50 10 JIGE O=S(=O)(NCCCCCCI)c1c(Cl)cccc1Br 388517363 LGFOLULRXWJPIR-UHFFFAOYSA-N 480.593 4.376 50 10 JIGE C[C@]1(CBr)CCN(C(=O)c2ccc(I)c(Br)c2)C1 721586043 HZZQTINPDBFDGA-CYBMUJFWSA-N 486.973 4.301 50 10 JIGE COc1ccc(OC)c(NC(=S)NNC(=O)c2ccccc2OCc2ccc(F)cc2)c1 726436735 IICCXLVATYUJQZ-UHFFFAOYSA-N 455.511 4.053 50 10 JIGE CCCCOc1ccc(C=NNC(=O)CN(c2ccc3c4c(cccc24)CC3)S(C)(=O)=O)cc1 1084519812 KOWQHDOFKSICSE-UHFFFAOYSA-N 479.602 4.034 50 10 JIGE CC(=O)c1ccc(CCNC(=O)NNC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1 1256571142 AOHJPNLLKYBWOF-UHFFFAOYSA-N 452.514 4.291 50 10 JIGE COc1ccccc1[C@H](NC(=O)NNC(=O)c1ccc(Br)cc1)c1ccccc1 1318397164 WNDHMIOTWXULKY-HXUWFJFHSA-N 454.324 4.191 50 10 JIGE C=C(C)c1cccc(NC(=O)/C(C#N)=C/c2cn(CCC(N)=O)nc2-c2ccc(OC)cc2)c1 1456873727 RJIPCRNHNWYHBE-DEDYPNTBSA-N 455.518 4.013 50 10 JIGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1 1666490512 SLDNPFXPMXATOC-QGZVFWFLSA-N 458.474 4.173 50 10 JIGE CCc1ccc(NC(=O)COc2cccnc2NC(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1 1858680964 BCZCDJMVBMZLAV-UHFFFAOYSA-N 454.414 4.320 50 10 JIGE CC(=O)Nc1c(Br)cc(C(=O)Nc2nnc(CCl)s2)cc1Br 1866063497 AQMDJNWAVQJJOK-UHFFFAOYSA-N 468.558 4.013 50 10 JIGE CCn1ncc(Br)c1C(=O)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915263106 LKEGCTOTJCVLES-INIZCTEOSA-N 455.194 4.481 50 10 JIGE O=C(c1cc(Br)c(Br)s1)N1C[C@@H](Br)C[C@@]2(CCCO2)C1 1924250360 KSCOFZWNKBCXFX-SDBXPKJASA-N 488.039 4.432 50 10 JIGE CN(CCOCc1ccccc1)S(=O)(=O)c1cc(CBr)ccc1Br 2009658841 UYFYHQJKASNYJC-UHFFFAOYSA-N 477.218 4.181 50 10 JIGE C[C@H](Br)[C@H]1CCN1C(=O)c1ccc(I)c(Br)c1 2011147578 XNRPNQBGZMNPTJ-WRWORJQWSA-N 472.946 4.052 50 10 JIGE O=C(c1cccc(Br)c1Br)N1CCSC[C@@H]1CBr 2031477364 BXYHQKOUXVUBFS-QMMMGPOBSA-N 458.013 4.164 50 10 JIGE O=S(=O)(NC1(CCBr)CCC1)c1cc(Br)ccc1Br 2090104500 BTONQTJTXPQQGV-UHFFFAOYSA-N 476.028 4.198 50 10 JIGE CN(C(=O)c1ccccc1I)[C@H](CCBr)C(F)(F)F 2122002473 SELFRCAWQMHBCW-SNVBAGLBSA-N 450.036 4.079 50 10 JIGE CN([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(CBr)cc1Cl 2123208837 FVVPLBRTGMCGJN-KRWDZBQOSA-N 457.821 4.130 50 10 JIGE C[C@]1(NS(=O)(=O)c2cc(Br)ccc2Br)CCC[C@H]1Br 2126317344 FPEPWELBNKQIMQ-NEPJUHHUSA-N 476.028 4.196 50 10 JIGE Brc1ccc(Br)c(CN2CCO[C@@H]3C[C@H](Br)C[C@@H]32)c1 2128864961 NGNCQNNDXFMECJ-KWCYVHTRSA-N 454.000 4.338 50 10 JIGE CC(C)(C)OC(=O)N1CCCCN(CC2(CBr)CCOCC2)CC(F)(F)C1 2164875691 SCOKOEKVRJSJSG-UHFFFAOYSA-N 455.384 4.146 50 10 JIGE C[C@H](Br)C12CCC(CC1)N2C(=O)c1cc(I)ccc1F 2169663588 JAKXIFCLLAQVAR-IEBVAXJPSA-N 452.105 4.351 50 10 JIGE CN([C@@H](CCBr)C(F)F)S(=O)(=O)c1ccc(Br)cc1Cl 2178521626 WBTFUKCKVQUHRM-VIFPVBQESA-N 455.546 4.142 50 10 JIGE Cc1ccc(S(=O)(=O)N2CCCN(Cc3ccccc3)CCC2)cc1CBr 2179785679 PKPLJPWSEJDZQT-UHFFFAOYSA-N 451.430 4.177 50 10 JIGE CC1(C)CN(S(=O)(=O)c2cc(F)ccc2CBr)CCN1Cc1ccccc1 2179789930 XOPYNHXFAKLZKQ-UHFFFAOYSA-N 455.393 4.006 50 10 JIGE CC(C)(C)[C@H]1[C@H](Br)CCN1C(=O)c1cc(I)ccc1O 2185100806 SXKVDEQUTOEAMK-DGCLKSJQSA-N 452.130 4.021 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@]12CC[S@](=O)(=NCCCCCI)C2 2214711461 LBMBBLZMRGMHRK-MZNJEOGPSA-N 470.417 4.233 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1CC[C@H](Br)[C@H]2CC[C@@H]21 2268347326 KXQQWANDVLJFSI-NRUUGDAUSA-N 454.533 4.333 50 10 JIGE O=C(NC[C@@H](CBr)C(F)(F)F)c1ccc(Cl)c(I)c1 2268350862 JZTDGFZKNJPCMR-SSDOTTSWSA-N 470.454 4.248 50 10 JIGE CCCN1CC[C@@H]([C@@H](Br)c2ccc(Cl)c(I)c2)S1(=O)=O 2283566051 MHWFLVSTKIPUNT-STQMWFEESA-N 492.604 4.195 50 10 JIGE CCN(CC)c1ccc(C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)cc1 2297498412 QAUBYYROLYAYJR-UHFFFAOYSA-N 484.556 4.183 50 10 JIGE Cc1ccc(Br)c(C(=O)N[C@@H](CCBr)COCc2ccccc2)n1 2303542452 DWLTYOUGAUWLHF-HNNXBMFYSA-N 456.178 4.253 50 10 JIGE Cc1cnc(C(=O)N[C@H](CCBr)COCc2ccccc2)c(Br)c1 2303551401 YHAVSCZACKJAQK-OAHLLOKOSA-N 456.178 4.253 50 10 JIGE COC(=O)C(C#N)=Cc1ccc(OC(=O)C=Cc2cc(Br)ccc2OC)c(OC)c1 2314772725 QMYQUWUHOJPLAR-UHFFFAOYSA-N 472.291 4.165 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CC[C@@H]2[C@H](C1)[C@@H]2CCl 2333118881 KWXFLNGMCOPPAN-WCQGTBRESA-N 454.533 4.001 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1C[C@@H]2CC[C@H](Br)[C@H]2C1 2340062936 FUPXMNVNJJGOKC-UWJYBYFXSA-N 454.533 4.190 50 10 JIGE Cn1nc(Br)c(Br)c1[C@H](Br)c1ccc2nc(O)oc2c1 2364036270 HTQVGUXNAYZLMP-MRVPVSSYSA-N 465.927 4.276 50 10 JIGE CC[C@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)c1 10671793 OGUJCLDWOIDTDJ-KRWDZBQOSA-N 496.633 4.332 50 10 JIGE COc1ccc(/C(C)=N/NC(=O)COc2ccc(Br)cc2Br)cc1 12584136 IJDZGYBTWPQRJH-RGVLZGJSSA-N 456.134 4.139 50 10 JIGE COc1ccc(/C(C#N)=C\c2cccc(OC(=O)CCN3C(=O)c4ccccc4C3=O)c2)cc1 31903170 YGRWFEAIPFRWGN-HKWRFOASSA-N 452.466 4.351 50 10 JIGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3[N+](=O)[O-])ccc2[C@H]1c1ccccc1Cl 38650985 PYYIPONIBRGLTI-HSZRJFAPSA-N 477.860 4.451 50 10 JIGE O=C(NNc1ncnc(NC23CC4CC(CC(C4)C2)C3)c1[N+](=O)[O-])c1ccc(Cl)c([N+](=O)[O-])c1 40621664 PSVHOBMHVYLNIJ-UHFFFAOYSA-N 487.904 4.084 50 10 JIGE CCOC(=O)c1ccccc1Nc1ncnc(NNC(=O)c2ccc(Cl)cc2Cl)c1[N+](=O)[O-] 40658833 VCNZWZOKACMMMV-UHFFFAOYSA-N 491.291 4.369 50 10 JIGE CCOC(=O)c1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2)CCC3)cc1 40804184 PZPZENPJPUPXPI-VFCFBJKWSA-N 459.502 4.487 50 10 JIGE Cc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)NC4CC(C)(C)NC(C)(C)C4)c(C)c32)cc1 40804808 CIILUVZXNRDLKR-ZTKZIYFRSA-N 464.610 4.406 50 10 JIGE CC1=C(C(=O)N/N=C/c2cccc(Br)c2)[C@H](c2ccc(Cl)cc2)NC(=S)N1 59384815 HAMPIVULGGRUDO-KQFRHJRUSA-N 463.788 4.046 50 10 JIGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCOC)C(=O)C(C#N)=C2C)cc1C 214285064 LCNLKZPOKBUOGU-JLPGSUDCSA-N 496.567 4.485 50 10 JIGE Cn1cc(C(=O)Oc2ccc(C=NNC(=O)c3csc4c3CCCC4)cc2)c(Br)n1 252605997 GONNNZAGQDXNCF-UHFFFAOYSA-N 487.379 4.106 50 10 JIGE Cn1ncc([C@H](Br)c2cc(I)cc3c2OCC3)c1Br 381964403 ZUQQHWFULQZRPJ-LLVKDONJSA-N 497.956 4.206 50 10 JIGE O=S1(=O)CCC[C@H]1[C@@H](Br)c1cc(Br)c(Br)s1 694698979 ICAOQZPPGBHZPL-YUMQZZPRSA-N 453.015 4.286 50 10 JIGE COc1ccc(CNC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)cc1Br 725759388 CRJASORRMGEOQQ-CPNJWEJPSA-N 490.361 4.458 50 10 JIGE Cc1ccc(NCC(=O)NNC(=O)c2cccnc2Oc2ccc(F)cc2Br)c(C)c1 728205102 KYYVUPPGJAIZIT-UHFFFAOYSA-N 487.329 4.265 50 10 JIGE Cn1cc(C(=O)NNC(=O)NCc2ccc(OCCOc3ccc(Cl)cc3)cc2)c2ccccc21 728219201 QGLYONVQJKIFQF-UHFFFAOYSA-N 492.963 4.434 50 10 JIGE C/C(=C\c1ccc(Br)o1)C(=O)NNC(=O)COc1ccccc1-c1ccccc1 1538851214 LVLQGZNSNBGMRR-FYWRMAATSA-N 455.308 4.339 50 10 JIGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2)oc2c1C(=NNC(=S)Nc1ccccc1)CCC2 1772751655 VVXHBTHAQLSMQV-UHFFFAOYSA-N 495.992 4.343 50 10 JIGE CC(C)c1nnc(NC(=O)COc2cccnc2NC(=O)Nc2ccc(SC#N)cc2)s1 1858860037 QSTUPQSJKPLFCL-UHFFFAOYSA-N 469.552 4.291 50 10 JIGE Cc1ccc(-c2csc3ncn(CC(=O)N/N=C/c4c(Cl)nc5scc(C)n45)c(=O)c23)cc1 1860773041 NMTZATVAYSRKQO-JRXWSOMVSA-N 497.005 4.255 50 10 JIGE CC1(C)CN(C(=O)c2ccc(I)c(Br)c2)C[C@H]1CCl 1914530038 XZYTWGDBAXFJBY-SNVBAGLBSA-N 456.549 4.391 50 10 JIGE COC[C@@](C)(CBr)CNC(=O)c1cc(Br)sc1Br 1926990585 UCDOHFJTGGACAK-NSHDSACASA-N 464.017 4.051 50 10 JIGE Cc1c(C(=O)N(Cc2ccccc2)[C@@H](CBr)C2CC2)nn(C)c1Br 2002827364 DDGRXJRCKMNVKL-HNNXBMFYSA-N 455.194 4.307 50 10 JIGE O=C(c1cc(Br)c(Br)s1)N1CC[C@@H]2[C@@H](CBr)[C@@H]2C1 2032221733 AJYFVVMLGGBTGV-BWZBUEFSSA-N 458.013 4.376 50 10 JIGE CN(C[C@H]1C[C@@H](Br)C1)[C@H](CN)c1cc(Br)c(Br)s1 2076247358 GPKYAKZQMVQSPD-KHQFGBGNSA-N 461.061 4.378 50 10 JIGE COc1cc(C)cc(-n2nc(CBr)c(I)c2C(F)(F)F)n1 2078916175 QHNWCWZOESYUER-UHFFFAOYSA-N 476.034 4.103 50 10 JIGE CCCN1CC[C@@H]([C@H](Cl)c2cc(Br)c(Br)s2)S1(=O)=O 2089512414 XWDYASXOOCSZNK-VHSXEESVSA-N 451.633 4.367 50 10 JIGE CC(C)(CBr)c1cn(Cc2cc(Cl)ccc2I)nn1 2108760126 VGQBQOMBXJYWHZ-UHFFFAOYSA-N 454.537 4.257 50 10 JIGE CC1(C)CC[C@@H](CBr)N1S(=O)(=O)c1cc(Cl)c(Br)s1 2140845141 HPSDEOLOPBBKGR-ZETCQYMHSA-N 451.633 4.491 50 10 JIGE O=C(NC[C@@H]1CCC[C@@H]1CCl)c1ccc(Br)cc1I 2142285864 VPZGRUKIXLHKFE-ZJUUUORDSA-N 456.549 4.439 50 10 JIGE C[C@@H]1CCC[C@@](CBr)(NC(=O)Cc2ccccc2I)C1 2143868855 SOQJJQLCXPLDNM-MLGOLLRUSA-N 450.158 4.294 50 10 JIGE O=C(c1cc(I)ccc1F)N1C[C@@H](Br)C2(CCCC2)C1 2174372440 YENBVHNXUXQITD-CYBMUJFWSA-N 452.105 4.210 50 10 JIGE Cc1ccc(CBr)cc1S(=O)(=O)N1CC2(CC(OCc3ccccc3)C2)C1 2179776717 WSLIUBTWBIAPBA-UHFFFAOYSA-N 450.398 4.260 50 10 JIGE CN([C@@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@@H]21)S(=O)(=O)c1occc1CBr 2190547858 OWWVMBCXLZLNEH-CADBVGFASA-N 454.386 4.179 50 10 JIGE O=C(N[C@H](CBr)C[C@H]1CCOC1)c1cc(Br)ccc1Br 2195493065 LOLHDOUZWQNANV-KOLCDFICSA-N 469.999 4.132 50 10 JIGE C[C@@H]1CN(S(=O)(=O)c2cc(CBr)sc2Br)CCC1(F)F 2206233931 TXYJNLGOJLHIEE-SSDOTTSWSA-N 453.168 4.071 50 10 JIGE C[C@H]1[C@@H](Br)C[C@@H](C)CN1c1ncc(I)cc1Br 2214805019 KWRXRHDXAKBKOV-WEDXCCLWSA-N 473.978 4.447 50 10 JIGE CCN1CCC[C@H]([C@@H](Br)c2scc(Br)c2Cl)S1(=O)=O 2264611064 CKQGSSHGPOPBET-RKDXNWHRSA-N 451.633 4.414 50 10 JIGE C[C@H](Cl)c1nc2c(Br)cccc2n1-c1cnn(C)c1I 2280057121 NMNNGZVBJZETOH-ZETCQYMHSA-N 465.520 4.426 50 10 JIGE CCOC(=O)O[C@@]1(C(=O)OCCl)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@@]21C 2294815207 UJMSHOQZQCLVEP-IIJWYBPGSA-N 464.942 4.125 50 10 JIGE Cc1cccn2c(=O)c(C=C(C#N)S(=O)(=O)c3ccccc3)c(Oc3ccc(F)cc3)nc12 2296542727 FHKHGMAJNBYVMO-UHFFFAOYSA-N 461.474 4.273 50 10 JIGE Cn1nc(Br)c(Br)c1Cn1c(Cl)nc(Cl)c1CBr 2316993087 LYSRKRPXAAMNIO-UHFFFAOYSA-N 481.801 4.392 50 10 JIGE CO[C@@H]1C[C@H](CBr)N(Cc2ccc(I)c(Br)c2)C1 2325215036 VNFNWEHZCKZJRL-GHMZBOCLSA-N 488.989 4.038 50 10 JIGE O=C(N[C@H]1C[C@H](CBr)[C@@H]2C[C@H]12)c1cc(Cl)ccc1I 2329877606 GKEMVELRTCACGJ-BDXNGKNPSA-N 454.533 4.094 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1C[C@H]2C[C@@H](Br)C[C@H]1C2 2340060511 DCPDSWQBZMJIPS-IQJOONFLSA-N 454.533 4.333 50 10 JIGE O=C(c1c(F)cccc1I)N1CC[C@@H]2CC[C@H](Br)[C@H]1C2 2359283320 BDBNPEVEYGEHPO-OUJBWJOFSA-N 452.105 4.208 50 10 JIGE O=C(COc1ccc(Br)cc1Cl)N/N=C/c1ccc(Br)s1 13977840 ZXEFHTMFAILKKX-UBKPWBPPSA-N 452.555 4.456 50 10 JIGE COc1cccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2cc(Br)ccc2O)c1 20274107 OQRVNWIATSSZQQ-ZMOGYAJESA-N 468.307 4.180 50 10 JIGE COc1cc(OC)cc(C(=O)Oc2cc3c4c(c2)[C@@H](C)CC(C)(C)N4C(=O)C3=C(C#N)C#N)c1 22564121 LMSUZMSEBMGNIY-AWEZNQCLSA-N 457.486 4.356 50 10 JIGE COc1ccc(/C(C#N)=C\c2cccc(OC(=O)[C@H](C)N3C(=O)c4ccccc4C3=O)c2)cc1 31903172 VYCXNZQENJSEKB-PNWWAVQQSA-N 452.466 4.349 50 10 JIGE CCCCc1nc(N2CCCN(C(=O)[C@@H](C)Cl)CC2)c2c(C)nn(-c3ccccc3)c2n1 35912818 JOJPADAMRHINSN-QGZVFWFLSA-N 455.006 4.133 50 10 JIGE Cc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)N4CCN(c5ccccc5)CC4)c(C)c32)c1 40811313 DGTZRVFRHGXZRR-BYNJWEBRSA-N 470.573 4.329 50 10 JIGE CCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C(C#N)=C/c2ccc(OCCC)cc2)c(OC)c1 40884465 CYSRCCVHBQAXKD-ALCUREISSA-N 473.529 4.430 50 10 JIGE COc1cc(/C=N/NC(=O)c2cc3ccccc3o2)c(Br)c(Br)c1O 59305124 FNTQVGPTJPIALW-DNTJNYDQSA-N 468.101 4.436 50 10 JIGE O=S1(=O)CC[C@@H]([C@@H](Br)c2cc(Br)c(Br)s2)C1 128201356 PKUHXDKFPOYTDO-SVGQVSJJSA-N 453.015 4.144 50 10 JIGE CCC(=O)O[C@@]1(C(=O)CCl)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 137517724 WWKWSAYUTWRZKP-OYYDJDHWSA-N 468.993 4.327 50 10 JIGE CCOc1ccc(/C=N\NC(=O)c2ccc3[nH]c(Cc4ccc(OC)cc4)nc3c2)cc1OC 169925544 DTPQJPLOFPXMHT-YUMHPJSZSA-N 458.518 4.334 50 10 JIGE C[C@@H](CBr)[C@@H](C)NC(=O)c1cc(I)ccc1Br 235110555 SBFLAUXVUNJGCX-JGVFFNPUSA-N 474.962 4.203 50 10 JIGE Cc1ccc(C)c(OCC(=O)NN=Cc2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)c1C 254841478 OJLFCRAOVRTPSX-UHFFFAOYSA-N 461.474 4.268 50 10 JIGE CCN1CC[C@@H](CNC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Br)cc3)c2C)C1 730936543 MDUMWIBMUWDCJI-HRVJUDJTSA-N 455.400 4.222 50 10 JIGE C=CC[C@@H]1CCCN(C(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(OC)c(OC)c2)C1 1146474804 IIRYXFCCSXCLSC-KNGGAZFVSA-N 459.550 4.203 50 10 JIGE CC(=O)c1ccc(Nc2ccccc2C(=O)NNc2ccc(S(=O)(=O)C(F)F)cc2)cc1 1623404771 WPMKPBCRXIYYIR-UHFFFAOYSA-N 459.474 4.386 50 10 JIGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)c1O 1865683457 FAMACFUCWCRRMS-MRXNPFEDSA-N 460.387 4.022 50 10 JIGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(C)cc2)c1 1865693088 RJUYJOIXSUFFEU-SFHVURJKSA-N 456.424 4.435 50 10 JIGE O=S1(=O)CC[C@H]([C@@H](CBr)Cc2ccc(Br)cc2Br)C1 2092260705 JSJTZBIEXAQIAC-WDEREUQCSA-N 475.040 4.200 50 10 JIGE O=S(=O)(c1ccc(CBr)c(Br)c1)N1CCC=C(Br)C1 2123365582 LSIJOVCTAQUJAJ-UHFFFAOYSA-N 474.012 4.017 50 10 JIGE Brc1ccc(CN2CCO[C@@H]3C[C@H](Br)C[C@H]32)c(Br)c1 2128884890 QTEBTIUSDYQKNG-MRVWCRGKSA-N 454.000 4.338 50 10 JIGE O=C(c1scc(Br)c1Br)N1CC[C@]2(C[C@H](Br)CO2)C1 2137145774 TULVHSOMPTYFEC-MADCSZMMSA-N 474.012 4.042 50 10 JIGE CC[C@H]1CN(C(=O)c2ccc(I)c(Cl)c2)C[C@H]1CBr 2140782781 CXJUNHQPGJREQM-GXSJLCMTSA-N 456.549 4.438 50 10 JIGE ClCc1cnc(N2CCC[C@@]3(CN(Cc4ccccc4)CCO3)C2)c(Br)c1 2151752496 UOYNOPYYLLVONN-OAQYLSRUSA-N 450.808 4.454 50 10 JIGE Cc1cc(CBr)cc(S(=O)(=O)N2CC[C@H](COCc3ccccc3)C2)c1C 2179863838 SHAHAXZAUSWRSX-IBGZPJMESA-N 452.414 4.426 50 10 JIGE FC(F)(F)c1cnc(N2CC[C@@H](CBr)C23CC3)c(I)c1 2190351247 YRVRAFYRICUPAZ-QMMMGPOBSA-N 461.063 4.459 50 10 JIGE CCC[C@H]1CN(C(=O)Cc2ccccc2I)C[C@H]1CBr 2205684129 QIGLKPDHKKRCDO-UONOGXRCSA-N 450.158 4.103 50 10 JIGE CCN1CCC[C@@H]([C@H](Cl)c2ccc(Br)cc2I)S1(=O)=O 2207268678 NBBGKAAUMGONQJ-QWHCGFSZSA-N 492.604 4.148 50 10 JIGE CC(C)(C)OC(=O)Nc1ccc(OC(F)(F)F)cc1C(=O)NC[C@H]1C[C@H]1Br 2237288563 CNEHMVRJQJERMK-BXKDBHETSA-N 453.255 4.445 50 10 JIGE O=C(c1cc(Br)c(F)cc1Cl)N1C[C@@H](Br)[C@H](Br)C1 2258088263 PVHBAQALPJWPEY-HTQZYQBOSA-N 464.354 4.224 50 10 JIGE Cc1cccc(OCC(=O)NN=C2C(=O)N(CN3C[C@]4(C)C[C@H]3CC(C)(C)C4)c3ccccc32)c1C 2297745464 HQFYCYRPKPERLO-ONOMSOESSA-N 488.632 4.407 50 10 JIGE O=C(N[C@H]1C[C@@H](CBr)[C@H]2C[C@@H]12)c1cc(Br)sc1Br 2309226514 XRPBXKPBHAJKON-SZACMFPPSA-N 458.013 4.422 50 10 JIGE O=C(N[C@H]1C[C@@H](CCl)[C@H]2C[C@@H]12)c1cc(I)ccc1Br 2329873001 GAHBHSRKYLPKFS-YTDXRRJTSA-N 454.533 4.047 50 10 JIGE O=C(N[C@H]1C[C@@H](CBr)[C@@H]2C[C@@H]12)c1ccc(I)c(Br)c1 2329878112 NEKANHNXQATWRK-XHSYRHOGSA-N 498.984 4.203 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CC[C@H]2C[C@]1(CCl)C2 2336794876 FXSAXUSVEAFDJD-DEZZCRIOSA-N 454.533 4.287 50 10 JIGE ClC[C@@]1(CNCc2ccc(I)c(Br)c2)CCCOC1 2349830185 QAPJVFIUKNHYHH-CQSZACIVSA-N 458.565 4.179 50 10 JIGE CC(C)[S@](=O)(=NC[C@]1(CBr)CC1(F)F)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2351887565 APWHXYBJOUAMAD-ZVMMWWORSA-N 459.397 4.293 50 10 JIGE CC[C@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1 10296193 OQRVVZWXLGJFGG-IRXDYDNUSA-N 465.575 4.120 50 10 JIGE CC(C)(C)c1ccc(/C=c2/sc3n(c2=O)C(N)=C(C#N)[C@@H](c2ccc(C(C)(C)C)cc2)C=3C#N)cc1 16323080 KZSOBEWKWOJBJP-JIOFHBDDSA-N 494.664 4.456 50 10 JIGE Cc1ccc(N2C(c3ccccc3)=CS/C2=C(\C#N)C(=O)N2CCN(C(=O)C3CC3)CC2)cc1 37441809 RANYJDRDVIPRJN-SLEBQGDGSA-N 470.598 4.363 50 10 JIGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(Nc2cc(F)ccc2F)c1[N+](=O)[O-] 40659553 JVGPPQICIJOXJV-UHFFFAOYSA-N 485.234 4.236 50 10 JIGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(Br)cc2)c(OC)c1 40977980 KXWRIJLBWCAYKM-SFQUDFHCSA-N 487.350 4.265 50 10 JIGE O=C(NCC1(CBr)CCCCC1)c1cc(I)ccc1O 236569548 VOROATSCBOLTSW-UHFFFAOYSA-N 452.130 4.072 50 10 JIGE O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)NN=Cc1cccc2cccnc12 254818281 DSPXQWDHWVOVNT-UHFFFAOYSA-N 465.542 4.120 50 10 JIGE COc1ccc(Cl)cc1NC(=O)COC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1 761414100 CZJFNEFAFURTNS-LDADJPATSA-N 489.919 4.215 50 10 JIGE C#CCNC(=O)c1ccccc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(OC)cc2)c1C 1125559329 BAUMAHMWXJBMLS-LTGZKZEYSA-N 452.514 4.011 50 10 JIGE CC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)NNc3ccc(Cl)c(C)c3)cc2)cc1 1455590849 NARQXDHCGAZSPT-UHFFFAOYSA-N 457.939 4.409 50 10 JIGE Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccccc2C(=O)O)cc1 1865704239 QZRXHBVCTUNXNE-QGZVFWFLSA-N 454.408 4.175 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc(Cl)c2)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1865714479 LOVHVZVQLFQIER-OAHLLOKOSA-N 477.786 4.376 50 10 JIGE O=C(N[C@@H](CSC[C@H]1C[C@H]1Br)C(=O)O)OCC1c2ccccc2-c2ccccc21 1881366105 LELIJQGYTGSLAN-GBLZOACLSA-N 476.392 4.495 50 10 JIGE CC(C)[C@@H](CBr)CN(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C 1955957393 YKOOUNHDMLTQLL-INIZCTEOSA-N 466.461 4.005 50 10 JIGE CC(C)(C)OC(=O)NC[C@](C)(CI)O[C@@H]1COC2(CCCCC2)C1 2017996935 ZYWSQHXXBPMTGM-YOEHRIQHSA-N 453.361 4.213 50 10 JIGE O=C(N[C@@H]1C[C@H](CBr)[C@H]2C[C@@H]21)c1csc(Br)c1Br 2048004295 DONXIIGREFXKJP-JAGXHNFQSA-N 458.013 4.422 50 10 JIGE CCOC(=O)Cc1cc(OC(F)(F)F)cc(I)c1CBr 2055271807 BKIMGIBZOIENIS-UHFFFAOYSA-N 467.019 4.190 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1C[C@@H]2CC[C@@H](Br)[C@H]2C1 2087938759 ZJPULLNTTIFURM-GARJFASQSA-N 454.533 4.190 50 10 JIGE O=C(c1sccc1I)N1CCC2(CCC2)[C@H](CBr)C1 2095294488 OPOJBZZJDUZNPE-SNVBAGLBSA-N 454.171 4.380 50 10 JIGE CC1(C)[C@@H](CBr)OCCN1C(=O)c1csc(Br)c1Br 2103406800 XOGDBDMYUZHGJK-MRVPVSSYSA-N 476.028 4.288 50 10 JIGE Br[C@@H](c1ccc2c(c1)OCCCO2)c1cc(I)sn1 2120029999 AUUAIWAKIMLQDI-ZDUSSCGKSA-N 452.111 4.393 50 10 JIGE C[C@H]1[C@@H](C)N(S(=O)(=O)c2ccsc2CBr)C[C@@H](C)N1Cc1ccccc1 2123282338 ADBUAJUOEOATCK-OWCLPIDISA-N 457.459 4.315 50 10 JIGE C[C@@]1(CBr)COCCN(C(=O)c2cc(Br)sc2Br)C1 2135078092 PHOOWRSDZOULOY-LBPRGKRZSA-N 476.028 4.147 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CC[C@@H]2[C@@H](CCl)[C@@H]2C1 2142278527 DTKZMKFAYZRUPQ-YUSALJHKSA-N 454.533 4.001 50 10 JIGE O=C(c1ccc(Br)cc1Br)N1CCC[C@H](OCCBr)C1 2170212714 CAIZJYWEVUXJLP-NSHDSACASA-N 469.999 4.228 50 10 JIGE Cc1sc(Br)cc1S(=O)(=O)N(C)[C@H](CCBr)C(F)(F)F 2178517077 CRJXOAVPRXFFRE-MRVPVSSYSA-N 459.147 4.155 50 10 JIGE Cc1cc(S(=O)(=O)N2CCCN(Cc3ccccc3)CCC2)ccc1CBr 2179785116 HZQSTGBFHLYRKG-UHFFFAOYSA-N 451.430 4.177 50 10 JIGE C[C@@]1(C2CC2)CN(S(=O)(=O)c2ccc(CBr)s2)CCN1Cc1ccccc1 2179812116 MALGXCDMWVWYRJ-FQEVSTJZSA-N 469.470 4.318 50 10 JIGE CC(C)n1cc(S(=O)(=O)N(Cc2ccccc2)C[C@H]2CCCO2)cc1CBr 2179857637 CCKJRYTWTMUQPA-LJQANCHMSA-N 455.418 4.334 50 10 JIGE CC(C)(C)OC(=O)N1CC[C@@H](C(F)(F)F)N(CCCCCI)CC1 2214712181 VDNNJMOLZZRJNY-ZDUSSCGKSA-N 464.310 4.465 50 10 JIGE BrC[C@@]12COC[C@H]1CN(Cc1ccc(Br)cc1Br)C2 2226186057 NUGHRECPSCOQCC-BXUZGUMPSA-N 454.000 4.055 50 10 JIGE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)[C@H](Br)C2CCCC2)C[C@H]1C(F)(F)F 2279304975 SBWQLRDTIGNUGN-MELADBBJSA-N 457.331 4.387 50 10 JIGE C=CC[C@]1(CBr)CCCN1C(=O)c1cccc(F)c1I 2287756463 WFNOGVGWQXXGRE-OAHLLOKOSA-N 452.105 4.376 50 10 JIGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)NCCc3ccccc3)c(Oc3ccccc3)nc12 2296718517 PDNNPBYUDWNTCJ-UHFFFAOYSA-N 450.498 4.061 50 10 JIGE O=C(Cc1ccc(Br)cc1)N[C@H](CCBr)COCc1ccccc1 2303541481 WQFDHIRIWCTERS-GOSISDBHSA-N 455.190 4.478 50 10 JIGE CC(C)[S@@](=O)(=NCC(C)(C)CI)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2306809730 MFPBXXARWLTTMW-BSEYFRJRSA-N 472.433 4.333 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1cc(Br)c(Cl)cn1 2314830343 SGTVQOSGGUSBJM-UHFFFAOYSA-N 470.842 4.133 50 10 JIGE Cn1cc(I)c(COc2ccc(CBr)cc2Br)n1 2319225998 MPKPFABSHGJGDB-UHFFFAOYSA-N 485.945 4.261 50 10 JIGE O=S(=O)(N[C@H](CCBr)COCc1ccccc1)c1cc(Cl)ccc1F 2320357788 FRNCPJLVPHWJRC-OAHLLOKOSA-N 450.757 4.128 50 10 JIGE COc1cc(C=NNC(=O)c2sc(-c3cnccn3)nc2C)ccc1OCc1ccccc1 2321239063 WGKZMIOLKAEAHK-UHFFFAOYSA-N 459.531 4.260 50 10 JIGE N#CC(=CNc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324599283 LXAGOHJUHPMXOE-UHFFFAOYSA-N 467.529 4.348 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@H]2CC[C@H](Br)[C@H]2C1 2328657309 WEMGXWGCBLRYJH-ZHAHWJHGSA-N 498.984 4.299 50 10 JIGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)Nc1ccc(CCBr)cc1 2364198176 SYGXMHKOOKGKJT-UHFFFAOYSA-N 493.423 4.222 50 10 JIGE Cc1cc(Br)ccc1OCC(=O)NNC(=O)c1ccccc1OCc1ccccc1 14030798 NWKMURUDAMUZBM-UHFFFAOYSA-N 469.335 4.177 50 10 JIGE O=C(CNC(=O)c1cccc(F)c1)NN=Cc1cc(Br)ccc1OCc1ccccc1 15979652 YDZRZSALGDUKHO-UHFFFAOYSA-N 484.325 4.047 50 10 JIGE aggregator Cc1occc1C(=O)/C(C#N)=C\N=[S@](C)(=O)c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 33788823 RWLXQOBGFUFBBK-DFNVNRQKSA-N 452.448 4.431 50 10 JIGE CCCc1cc(C(=O)OC)c(NC(=O)/C(C#N)=C\c2c[nH]nc2-c2ccc(OC)cc2)s1 34983468 RGUZNSWONVQJRG-GDNBJRDFSA-N 450.520 4.432 50 10 JIGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccccc3)c(OC)c2)C1=O 38606581 BGONBMGJMJKJIC-PXLXIMEGSA-N 460.530 4.293 50 10 JIGE CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc([N+](=O)[O-])cc3)ccc21 38650497 PKPPJPYOLAISAN-RUZDIDTESA-N 487.468 4.196 50 10 JIGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc32)c1 40530212 NXPRYSKGROAOIW-HSZRJFAPSA-N 457.442 4.431 50 10 JIGE CCOC(=O)c1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(OC)cc2)CCC3)cc1 40813854 SPKALHZJAYLQAS-XHLNEMQHSA-N 489.528 4.496 50 10 JIGE Cc1nc2ccccn2c1C(=O)N/N=C1/C(=O)N(Cc2cccc3ccccc23)c2ccccc21 59168970 AVLCROVGZLCDJE-QCWLDUFUSA-N 459.509 4.477 50 10 JIGE Cc1c(NC(=O)/C(C#N)=C\c2ccc(COc3ccc([N+](=O)[O-])cc3)o2)c(=O)n(-c2ccccc2)n1C 98056722 DTHYHVJSAAMMFJ-JXAWBTAJSA-N 499.483 4.110 50 10 JIGE CN1CC[C@@]23c4c5ccc(O)c4O[C@@H]2[C@H](SSc2ccc([N+](=O)[O-])cn2)CC[C@H]3[C@H]1C5 136883039 RAEKUJQUZFRYFZ-GRPPTWSJSA-N 457.577 4.174 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N[C@@H](C)[C@H](C)CBr)cc1Br 167734232 PNQYYZIKMIILPE-BDAKNGLRSA-N 478.044 4.218 50 10 JIGE CC[C@@](C)(CBr)NC(=O)c1cc(I)ccc1Br 233945871 UQFGFBQJFYGQIC-LBPRGKRZSA-N 474.962 4.347 50 10 JIGE COc1cc(OC)nc(Oc2cccc(Br)c2C(=O)Oc2ccc([N+](=O)[O-])cc2)n1 247838229 JVXLYAKNRDKDGQ-UHFFFAOYSA-N 476.239 4.176 50 10 JIGE CCOC(=O)[C@@H]1CCCN(C(=O)Nc2cccc(C(=O)Nc3ccc(SC#N)cc3)c2)C1 586668841 VCVKQDRPMINLNC-QGZVFWFLSA-N 452.536 4.319 50 10 JIGE CC[C@H]1CN(C(=O)c2ccc(I)c(Br)c2)C[C@@H]1Br 721615013 QODYKEVJWKVQTA-KWQFWETISA-N 486.973 4.299 50 10 JIGE O=C(NCc1ccc(COCc2ccccc2)cc1)NNC(=O)c1cccc(OC(F)F)c1 728595366 BKTMFPIBRWWNPI-UHFFFAOYSA-N 455.461 4.149 50 10 JIGE Cn1cc(C(=O)NNC(=O)N[C@@H]2CCCc3nc(-c4ccc(F)cc4)sc32)c2ccccc21 729620906 XAEIZPLHVNBDMB-LJQANCHMSA-N 463.538 4.463 50 10 JIGE COc1ccc(/C=C/C(=NNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c2ccc(OC)cc2)cc1 1084091426 MMIHRMYFKPKBPN-YZKLCDMASA-N 476.445 4.368 50 10 JIGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccccc2OCc2ccc(C(=O)O)cc2)cc1 1084438726 VFSIKHYOTRTZGV-DEOSSOPVSA-N 476.529 4.326 50 10 JIGE O=C(N[C@H](CBr)C[C@@H]1CCOC1)c1scc(Br)c1Br 1883262952 AYKLDGCOWQTZIY-YUMQZZPRSA-N 476.028 4.193 50 10 JIGE C[C@H]1CN(Cc2ccccc2)CCN1S(=O)(=O)c1ccc(Br)c(CCl)c1 1885140891 SLOPNQZDNATGQM-HNNXBMFYSA-N 457.821 4.083 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCN(C(=O)OC(C)(C)C)CC1(F)F 1901034602 PYLILZKLJOOMKM-CQSZACIVSA-N 471.636 4.127 50 10 JIGE CC1(C)CN(S(=O)(=O)c2cc(Br)ccc2Br)C[C@@H]1CBr 1914042416 JYMRTMAFDSPQNK-VIFPVBQESA-N 490.055 4.253 50 10 JIGE COCC1(CO[C@](C)(CI)CNC(=O)OC(C)(C)C)CCCCC1 1945636048 FRTSJULIRSRGRC-QGZVFWFLSA-N 455.377 4.318 50 10 JIGE CCc1c(I)ccc(CBr)c1I 2060222286 MREMDRGIHSEJDO-UHFFFAOYSA-N 450.883 4.353 50 10 JIGE O=C(N[C@H]1C[C@H](CCBr)C1)c1cc(Br)ccc1I 2078353378 FDMWQFVBBUTKII-CZMCAQCFSA-N 486.973 4.347 50 10 JIGE C[C@H]1[C@@H](C)N(Cc2ccccc2)[C@H](C)CN1S(=O)(=O)c1csc(CBr)c1 2123225707 SFONJPOOXKSGNF-OAGGEKHMSA-N 457.459 4.315 50 10 JIGE O=C(c1ccc(F)cc1I)N1CC2(CBr)CCC1CC2 2178888294 USNSPYWTQCQBGG-UHFFFAOYSA-N 452.105 4.210 50 10 JIGE O=S(=O)(c1ccc(F)c(CBr)c1F)N(Cc1ccccc1)C[C@H]1CCCO1 2179859513 FJEQQTXTYHKVCL-OAHLLOKOSA-N 460.340 4.230 50 10 JIGE O=C(NC[C@@]12CCC[C@]1(CBr)C2)c1ccc(F)cc1I 2208039611 MAVIBTNABPDAAF-CABCVRRESA-N 452.105 4.115 50 10 JIGE Cn1nc(Br)c([C@@H](Br)c2cc(Br)c3c(c2)CCCO3)n1 2235269939 QBNZLTGOMKEYCI-JTQLQIEISA-N 465.971 4.149 50 10 JIGE CC(C)[C@@H](CI)NC(=O)Cc1cc(Br)cc(Br)c1 2263498268 VXPOYTGYXHHKOJ-GFCCVEGCSA-N 488.989 4.330 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1CC[C@H](Br)CC12CC2 2268352991 LGHUOUZURNQVTJ-JTQLQIEISA-N 454.533 4.477 50 10 JIGE O=C(c1c(F)cccc1I)N1C[C@H]2CCC[C@@]2(CBr)C1 2282793001 VZHGWKBLRIUWFP-MEBBXXQBSA-N 452.105 4.068 50 10 JIGE Cc1ccc(C)c(NC(=O)C(C#N)=Cc2cc(I)c(O)c([N+](=O)[O-])c2)c1 2313553232 VOXDHESULSZGRM-UHFFFAOYSA-N 463.231 4.068 50 10 JIGE CCOc1ccc(N2C(=O)[C@H](Cc3ccccc3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314593733 SCJSUFVTDUGNSQ-QHCPKHFHSA-N 473.554 4.421 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1[C@H]2CC[C@H](C2)[C@@H]1CBr 2330982982 HNZSUFLROYAJKY-DVYJOKAKSA-N 454.533 4.333 50 10 JIGE O=C(c1sccc1I)N1C[C@H]2CCC[C@](CBr)(C2)C1 2332619445 MQSIXWOFAKHAPU-IINYFYTJSA-N 454.171 4.380 50 10 JIGE O=C(c1cccc(Br)c1Br)N(CCBr)C1CCOCC1 2381893632 FAMBMBBJABADEN-UHFFFAOYSA-N 469.999 4.228 50 10 JIGE Cc1ccc(Cl)cc1N1CCN(/C=C(\C#N)S(=O)(=O)c2ccc(Br)cc2)CC1 2381070 AZOGVEKKODODNU-XMHGGMMESA-N 480.815 4.372 50 10 JIGE CC[C@@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)C(c2ccccc2)c2ccccc2)c1 10671019 BUYGOQQLGGZGFW-GOSISDBHSA-N 461.587 4.332 50 10 JIGE Cc1cc(Br)cc(C)c1OCC(=O)NNC(=O)c1ccccc1OCc1ccccc1 14030810 AJFWVYCQGPYFIW-UHFFFAOYSA-N 483.362 4.485 50 10 JIGE Cc1cc(Br)ccc1OCC(=O)NNC(=O)c1cccc(OCCOc2ccccc2)c1 14040929 WQFNJSZAXDVWFY-UHFFFAOYSA-N 499.361 4.055 50 10 JIGE CC(=O)c1cccc(Nc2ncnc(NNC(=O)COc3ccc(Cl)cc3Cl)c2[N+](=O)[O-])c1 40593538 IZISQPAMKIGKLU-UHFFFAOYSA-N 491.291 4.160 50 10 JIGE COc1ccc(/C=N/NC(=O)COc2cc(C)c(Cl)c(C)c2Br)cc1[N+](=O)[O-] 40950698 SCPGULMATKIVRE-ODCIPOBUSA-N 470.707 4.165 50 10 JIGE COc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccccc2OC)C(=O)CCl)cc1 97914320 XZPLJNGFYVZWBZ-DEOSSOPVSA-N 458.986 4.461 50 10 JIGE O=C(NN=Cc1ccc(Cl)cc1Cl)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 254289601 MOKUWIHQEAUNBQ-UHFFFAOYSA-N 474.797 4.198 50 10 JIGE Cc1cccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2ccccc2C(F)(F)F)c1 254397328 DEORZFGFTPONAB-UHFFFAOYSA-N 468.435 4.355 50 10 JIGE N#C[C@H](Cl)COc1c(I)cc(Cl)cc1I 308968640 NZGAHZFUFAOFGD-LURJTMIESA-N 467.859 4.059 50 10 JIGE C[C@@H]1[C@@H](CBr)CCN1S(=O)(=O)c1cc(Br)ccc1Br 385726728 SWSCYSRRNGPXEX-RKDXNWHRSA-N 476.028 4.006 50 10 JIGE CC(C)[C@H](CBr)CNC(=O)c1cc(I)ccc1Br 394178000 CMYXHRWLGIELMK-SECBINFHSA-N 488.989 4.451 50 10 JIGE C[C@H]1C[C@H](Br)CN(S(=O)(=O)c2cc(Br)ccc2Br)C1 401894870 JJOKLFQAOQVZKF-WPRPVWTQSA-N 476.028 4.006 50 10 JIGE O=C(NNc1ccc(F)c(F)c1F)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 727758424 CYAVNAHDNCFZJE-UHFFFAOYSA-N 455.845 4.315 50 10 JIGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OCC)c(OC)c2)cc1 1083988318 FRIDKJFNDYZUOC-IBGZPJMESA-N 479.371 4.219 50 10 JIGE Cc1ccc(S(=O)(=O)Oc2ccccc2C=NNC(=O)c2ccc(Br)cc2)cc1 1084360944 SXEDGBYSTSASOV-UHFFFAOYSA-N 473.348 4.289 50 10 JIGE C/C(=C/C(=O)NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)c1ccccc1Cl 1587194556 NZHMZCWUTRGBFZ-MSUUIHNZSA-N 457.921 4.452 50 10 JIGE Cc1c(C(=O)Nc2cccc([N+](=O)[O-])c2)oc2c1C(=NNC(=O)c1cccc([N+](=O)[O-])c1)CCC2 1772746604 XYIHBUQAPPBIML-UHFFFAOYSA-N 477.433 4.127 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)cc2)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1865714459 KSNSVRRQFJVHIJ-MRXNPFEDSA-N 491.813 4.436 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CC[C@@H](Cl)C12CCC2 1914409478 UQZKVAXGOABYLG-GFCCVEGCSA-N 454.533 4.430 50 10 JIGE CCN1CC[C@H]([C@@H](Br)c2csc(Br)c2Br)S1(=O)=O 2032953593 MIKPPRNALXCDCY-SFYZADRCSA-N 482.057 4.133 50 10 JIGE Cc1sc2nc(C(C#N)=Cc3ccc(Sc4nncn4C)c([N+](=O)[O-])c3)nc(O)c2c1C 2053515282 MHBWMKRBSFPYHA-UHFFFAOYSA-N 465.520 4.266 50 10 JIGE O=C(CBr)c1cc(OC(F)F)c(I)cc1C(F)(F)F 2060377621 UALNGTVRLRWZKE-UHFFFAOYSA-N 458.946 4.489 50 10 JIGE Cc1c(Br)ccc([C@@H](Br)[C@@H]2CCS(=O)(=O)C2)c1Br 2083336966 GHJXYHBDIWFNSK-PELKAZGASA-N 461.013 4.391 50 10 JIGE BrC[C@@H]1C[C@@H]2OCC[C@H]2N1Cc1ccc(Br)cc1Br 2092260317 FTDGLQILGSDNPF-YUTCNCBUSA-N 454.000 4.338 50 10 JIGE C[C@H]1CN(S(=O)(=O)c2cc(CCl)oc2Br)[C@H](C)CN1Cc1ccccc1 2095830364 CTXMVPBDNKMPSW-UONOGXRCSA-N 461.809 4.064 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@H](Br)C2(CCC2)C1 2108694468 JUYHCMHLTQPHTO-LBPRGKRZSA-N 498.984 4.443 50 10 JIGE CC[C@]1(CBr)COCCN1C(=O)c1cc(Br)c(Br)s1 2112709304 XXZCJCJQQFHCTP-LBPRGKRZSA-N 476.028 4.289 50 10 JIGE CN(C[C@@H](Br)COCc1ccccc1)S(=O)(=O)c1cc(Cl)c(F)cc1F 2121055370 RFCXUZHWUAVBTB-CYBMUJFWSA-N 468.747 4.219 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CC[C@@H](CBr)C12CC2 2133829379 AQRKHSYRBBVRPZ-VIFPVBQESA-N 498.984 4.443 50 10 JIGE Cc1cc(C(=O)N[C@H](CBr)CC(F)(F)F)ccc1I 2142119715 QRYMHCODSFQXJJ-VIFPVBQESA-N 450.036 4.045 50 10 JIGE C[C@@](CBr)(NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl)C(F)F 2161368397 YKEFTMUIEFQHLL-JTQLQIEISA-N 475.964 4.453 50 10 JIGE CC[C@]1(NC(=O)OC(C)(C)C)CCCN(S(=O)(=O)c2ccc(CBr)cc2)C1 2163052415 DEQFCSIMYBMWHK-IBGZPJMESA-N 461.422 4.040 50 10 JIGE CC(C)(C)OC(=O)N(CC(F)F)[C@@H]1CCCN(C(=O)[C@@H](Br)C2CCCC2)C1 2167032890 LFAKXTSVUIXOOS-ZBFHGGJFSA-N 453.368 4.433 50 10 JIGE O=S(=O)(NC[C@H](Br)CC(F)(F)F)c1c(Cl)cccc1Br 2175691601 ZBBFBWVVWBEMCU-ZCFIWIBFSA-N 459.509 4.097 50 10 JIGE CCN(C[C@](C)(CI)OC[C@]12C[C@](C)(CO1)C2)C(=O)OC(C)(C)C 2247423091 SNDPZAOQQLZABN-OKZBNKHCSA-N 453.361 4.023 50 10 JIGE O=C(NC[C@H]1CC[C@H](CBr)CO1)c1cc(Br)c(Br)s1 2264732272 XWQLYRQVXDJPJM-HTQZYQBOSA-N 476.028 4.193 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1CC[C@@H](CBr)C12CC2 2268352259 ZEVSDTWXSSGGQM-JTQLQIEISA-N 454.533 4.334 50 10 JIGE C[C@H]1CN(C(=O)Cc2cc(Br)cc(Br)c2)CC[C@@H]1Br 2277933523 VFFKUFAATREFHM-ZANVPECISA-N 454.000 4.386 50 10 JIGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N2CCOCC2)cc1Cl 2314475902 FIDHPNCOARJATN-UHFFFAOYSA-N 462.937 4.357 50 10 JIGE COc1ccc(-c2ccc(C(=O)NN=C(C)c3ccc4c(c3)CCN4C(C)=O)c(C)n2)cc1OC 2321281018 CWVJCINPQVQEMG-UHFFFAOYSA-N 472.545 4.137 50 10 JIGE O=C(NN=Cc1cc(Cl)c(O)c(Cl)c1)c1cccn(Cc2cccc(Cl)c2)c1=O 2323652363 JLNIGRBFPWPWTG-UHFFFAOYSA-N 450.709 4.326 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@H]2CC[C@H]1C[C@@H]2Br 2337068392 AGSQKAMPIPADGZ-VWYCJHECSA-N 498.984 4.442 50 10 JIGE Cn1cc(I)c(COc2c(F)cc(Br)cc2CCl)n1 2341859487 KUFZCFFODVMGFP-UHFFFAOYSA-N 459.484 4.244 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@H]2CC[C@H](Br)[C@H]2C1 2353932920 NSNWHWWVZAHYRH-MIMYLULJSA-N 488.039 4.006 50 10 JIGE COc1cc(OC)c(C=NNC(=O)c2cc(-c3ccc4c5c(cccc35)CC4)[nH]n2)c(OC)c1 1798507 XOMHHRGVKXSXQG-UHFFFAOYSA-N 456.502 4.118 50 10 JIGE CCc1ccc(OCC(=O)NNC(=O)c2ccc(OCCC(C)C)c(Br)c2)cc1 14645685 CPMXTIIABAZAAK-UHFFFAOYSA-N 463.372 4.276 50 10 JIGE Cc1c(C(=O)NCc2cccnc2)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 40811757 UTCVNOHSHJLDSF-OVVQPSECSA-N 481.350 4.146 50 10 JIGE CCc1ccc(NC(=O)C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2cccc(C)c2)cc1 48571840 CDUQGNRRCOOWFT-OGLMXYFKSA-N 451.530 4.499 50 10 JIGE CC1=C(C(=O)N/N=C/c2ccccc2Cl)[C@@H](c2ccc(Br)cc2)NC(=S)N1 59384837 HYEGMHVFIVVHKT-MMXTWKRJSA-N 463.788 4.046 50 10 JIGE N#C/C(C(=O)NCCc1ccccc1)=C1\N=C(NC(=O)c2ccc(Cl)cc2)c2ccccc21 102599716 JPGXZVMQBYAPLX-GHVJWSGMSA-N 454.917 4.124 50 10 JIGE CNC(=O)/C(C#N)=C1/S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1cccc(OC)c1 102667310 YOULTQWZHRRETC-WKSXIXGESA-N 462.358 4.174 50 10 JIGE CCOc1c(Br)cc(/C=N\NC(=O)Cc2ccc(O)cc2)cc1Br 169901561 QFNHSHQAPHHBHN-JMIUGGIZSA-N 456.134 4.009 50 10 JIGE CCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccc([N+](=O)[O-])cc3)nc2-c2ccccc2)C1=O 214219181 FORQJVMBBJJNSF-HMAPJEAMSA-N 467.485 4.450 50 10 JIGE COc1ccc(CC(=O)Nc2ccc(C(C)=NNC(=O)c3ccc(Br)o3)cc2)cc1 252617682 KYHKOGVUXUVZSY-UHFFFAOYSA-N 470.323 4.386 50 10 JIGE CO[C@@H]1[C@@H](Br)C[C@H]1Oc1c(I)cc(Cl)c2cccnc12 252871311 ULDNSLRNRIPDMQ-RLCGTCKNSA-N 468.516 4.422 50 10 JIGE Cc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccn(Cc4ccccc4F)n3)cc2)cc1 254515929 CSVGPDHIJAWLIE-UHFFFAOYSA-N 456.477 4.362 50 10 JIGE C[C@@H](Br)CN(C(=O)c1cc(I)ccc1Br)C1CC1 691366700 VNIRJIDYVLYMDE-MRVPVSSYSA-N 486.973 4.442 50 10 JIGE C[C@H]1CN(S(=O)(=O)c2cc(Br)ccc2Br)C[C@@]1(C)CBr 694712435 ANAOXFOYFUCDTR-TVQRCGJNSA-N 490.055 4.253 50 10 JIGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Cl)c(OC)c(Br)c2)cc1 725411016 NBFOUEZAIWJTQL-SFHVURJKSA-N 469.763 4.474 50 10 JIGE COc1cc(/C=C(\C#N)C(=O)N(C)C)cc(I)c1OCc1cccc(C)c1 1083970567 WLKCYFIYRSBHOM-RQZCQDPDSA-N 476.314 4.182 50 10 JIGE COc1c(C(=O)NN=C2C(=O)N(Cc3ccc([N+](=O)[O-])cc3)c3ccccc32)ccc2ccccc12 1083986943 IROMVRDSOMYWPA-UHFFFAOYSA-N 480.480 4.438 50 10 JIGE Cc1nc2ccc(Cl)cn2c1C(=O)NN=Cc1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 1084476538 DZAWTZFPYAADHR-UHFFFAOYSA-N 479.899 4.217 50 10 JIGE CCC[C@@H](CBr)CN(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C 1955956773 SMYVOOHUPJGOSG-INIZCTEOSA-N 466.461 4.149 50 10 JIGE C[C@H](Br)C(=O)N(CCCNC(=O)OC(C)(C)C)c1cccc(Br)c1 1999491193 BPNYUEWLAIKGQO-LBPRGKRZSA-N 464.198 4.480 50 10 JIGE Cc1cnc(C(=O)N(C)C[C@@H](Br)COCc2ccccc2)c(Br)c1 2022058533 OAPOOYZXLIBTKJ-OAHLLOKOSA-N 456.178 4.205 50 10 JIGE O=C(CBr)c1c(Br)ccc(Br)c1I 2054857455 LYCPYXVNWXBHMX-UHFFFAOYSA-N 482.735 4.394 50 10 JIGE C[C@H](Br)CCc1cn(-c2cc(I)ccc2Br)nn1 2068990083 AFNGDEMPVIFETO-QMMMGPOBSA-N 484.961 4.350 50 10 JIGE Cc1cc(Cn2nc(CBr)c(I)c2C(F)(F)F)ccc1O 2079241049 MPXSOEAOODWYON-UHFFFAOYSA-N 475.046 4.464 50 10 JIGE CCN1CCC[C@H]([C@H](Cl)c2scc(Br)c2Br)S1(=O)=O 2089528763 VRLFFQJJEWQBEF-SCZZXKLOSA-N 451.633 4.367 50 10 JIGE CC[C@H]1CN(C(=O)N2CCC(Br)CC2)[C@H](CC)CN1C(=O)OCc1ccccc1 2106657443 FBCKBFNSGIZAHE-UXHICEINSA-N 466.420 4.477 50 10 JIGE O=C(N[C@@H]1C[C@H](CBr)[C@H]2C[C@H]21)c1cc(I)ccc1Br 2110548834 JXTMBRHTQWVJSN-QYVSTXNMSA-N 498.984 4.203 50 10 JIGE C[C@@H]1C[C@@H](CBr)CCN1S(=O)(=O)c1cc(Cl)c(Br)s1 2115856784 BEKQKLIMCFJQJH-SFYZADRCSA-N 451.633 4.348 50 10 JIGE CN(Cc1ccccc1)[C@@H]1CCCCN(S(=O)(=O)c2cc(CBr)cs2)C1 2123234750 RUMQFPXEZMCCBR-GOSISDBHSA-N 457.459 4.318 50 10 JIGE O=C(N[C@@H]1CC[C@@H]2C[C@@]21CCl)c1ccc(I)c(Br)c1 2132109954 AXLIBNBVTZNTDC-GAJTVXKRSA-N 454.533 4.191 50 10 JIGE CS[C@H]1CCC[C@@H]1N(C)S(=O)(=O)c1cc(CBr)sc1Br 2179787286 MRQJLNJYLYMNNP-UWVGGRQHSA-N 463.282 4.310 50 10 JIGE C[C@@]12CN(Cc3ccccc3)C[C@]1(C)CN(S(=O)(=O)c1ccc(CBr)s1)C2 2179818944 GCOHBUDEQZIJKH-BGYRXZFFSA-N 469.470 4.176 50 10 JIGE O=S(=O)(c1cc(CBr)cc(F)c1F)N1CC[C@H](COCc2ccccc2)C1 2179859856 JXVXHSCHYNTFLI-HNNXBMFYSA-N 460.340 4.087 50 10 JIGE CC(C)(C)OC(=O)NCC(F)(F)[C@H]1CCCCN1C(=O)[C@@H](Br)C1CCCC1 2185170880 WXAGCNZDHORKGX-CABCVRRESA-N 453.368 4.481 50 10 JIGE O=C(NC[C@@H]1CC[C@@H](CBr)CO1)c1cc(Br)c(Br)s1 2264732287 XWQLYRQVXDJPJM-YUMQZZPRSA-N 476.028 4.193 50 10 JIGE O=C(c1c(F)cccc1I)N1[C@H]2CCC[C@@H](Br)[C@H]1CC2 2282792941 VKGHAHKXFIANQL-OPQQBVKSSA-N 452.105 4.351 50 10 JIGE CCOc1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccccc3OC)nc3ccccn3c2=O)cc1 2296543459 DJERWBVAMFIEGY-UHFFFAOYSA-N 482.496 4.440 50 10 JIGE COc1ccc(CCC(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2OC)cc1OC 2314789758 ZZMOADODZOBPOD-UHFFFAOYSA-N 490.512 4.067 50 10 JIGE COc1cc(C=NNC(=O)c2ccc3[nH]c(=N)sc3c2)ccc1OCc1ccccc1F 2323601709 NQUNUVGGHLJSGK-UHFFFAOYSA-N 450.495 4.199 50 10 JIGE Clc1ccc(I)cc1CN1CC2(CC[C@H](CBr)O2)C1 2352417059 DLROXMKTROJXEE-GFCCVEGCSA-N 456.549 4.073 50 10 JIGE C/C(=N/NC(=O)c1cc(-c2ccncc2)nc2ccccc12)c1ccc(N2CCOCC2)cc1 13146664 GERUUVYVLQPFQF-FSGOGVSDSA-N 451.530 4.287 50 10 JIGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)Cc1ccccc1 14648659 MCVDEHCZNIEITB-UHFFFAOYSA-N 492.439 4.286 50 10 JIGE CCCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(NC(=O)C2CC2)cc1 14649833 MIWMMCISPMZSSE-UHFFFAOYSA-N 474.355 4.051 50 10 JIGE COCCOc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 14656337 ZVKNFBPTTWRSNT-UHFFFAOYSA-N 489.572 4.336 50 10 JIGE Cc1c(C(=O)Nc2ccc(Br)cc2)oc2c1/C(=N/NC(=O)c1ccncc1)CCC2 40814023 ZINWEVQSYCPCPX-YZSQISJMSA-N 467.323 4.468 50 10 JIGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2)oc2c1/C(=N/Nc1ccc([N+](=O)[O-])cc1)CCC2 40814774 OVRBVNOMTARSIZ-NLRVBDNBSA-N 481.896 4.377 50 10 JIGE CCOC(=O)c1sc(NC(=O)N/N=C/c2c(O)ccc3ccccc23)c(C(=O)OCC)c1C 40840229 SHBDGBJQSOSCIM-WYMPLXKRSA-N 469.519 4.424 50 10 JIGE COC(=O)c1cc(OC)c(OC)cc1N/C=C(/C#N)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 102416723 XYBIUEYDJFCKLY-KAMYIIQDSA-N 466.475 4.499 50 10 JIGE COc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(C)cc1C 206408246 MTBIXOKURXWKHH-NDENLUEZSA-N 460.486 4.113 50 10 JIGE N#C/C(=C/Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1cccc(S(=O)(=O)O)c1 216958681 JBUXBIYJVIIMHJ-KTKRTIGZSA-N 479.358 4.429 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2C[C@@H](Br)C[C@H]2C)cc1Br 385212415 DVHVOVQTBKQQDZ-BDAKNGLRSA-N 476.028 4.066 50 10 JIGE C[C@@H]1CN(S(=O)(=O)c2cc(Br)ccc2Br)C[C@]1(C)CBr 694712432 ANAOXFOYFUCDTR-RNCFNFMXSA-N 490.055 4.253 50 10 JIGE Cc1c(C=NNC(=O)c2cc(Br)cc(Br)c2O)c2ccccc2n1C 1084374511 RDNBLIOYNUDMRQ-UHFFFAOYSA-N 465.145 4.481 50 10 JIGE Cc1cc2ncn(CC(=O)NN=Cc3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c2cc1C 1084607628 WJBBJNQLWZVKTR-UHFFFAOYSA-N 488.460 4.412 50 10 JIGE C[C@H]1CC[C@@](CBr)(NS(=O)(=O)c2cc(Cl)c(Br)s2)C1 1880884506 CFYBDHSDYXPSSO-WRWORJQWSA-N 451.633 4.396 50 10 JIGE CC[C@H](CBr)CN1CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC1 1954682818 SYBBMTPPUXDSTO-OAHLLOKOSA-N 450.418 4.112 50 10 JIGE O=C(c1c(Br)cccc1Br)N1C[C@H](Br)[C@H](Br)C1 2019464782 WUYPXUFGJMMJSR-DTORHVGOSA-N 490.815 4.194 50 10 JIGE C[C@H]1C[C@@H]1N(CCBr)C(=O)c1cc(I)ccc1Br 2048205483 OUHXHSAMGWRPRF-UFBFGSQYSA-N 486.973 4.299 50 10 JIGE CCOC(=O)Cc1ccc(OC(F)(F)F)c(CBr)c1I 2055266500 VRKIVBLPPFPJKQ-UHFFFAOYSA-N 467.019 4.190 50 10 JIGE Brc1cc(I)cnc1N1C[C@H]2C[C@@H](Br)CC[C@H]2C1 2069529492 QNMIRRSJOAKYNW-AEJSXWLSSA-N 485.989 4.449 50 10 JIGE CC(C)(C)OC(=O)NC[C@H](NC(=O)[C@@H](Br)C1CCCC1)C(F)(F)C(F)(F)F 2167049849 HJUGMMQYUCMLCW-QWRGUYRKSA-N 467.273 4.147 50 10 JIGE C[C@H](Cl)[C@@H](NS(=O)(=O)c1cc(Br)ccc1Br)C(F)(F)F 2195319138 STLVLYYUCXPUIV-SSDLBLMSSA-N 459.509 4.048 50 10 JIGE Clc1cc(CN2C[C@@H](Br)C3(CCOCC3)C2)ccc1I 2208041932 CBQWKXFONFOHMC-CQSZACIVSA-N 470.576 4.321 50 10 JIGE CCOC(=O)O[C@@]1(C(=O)CCl)CC[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@@]21C 2294815075 AXXPSUGJNHPWJA-BGISQPRESA-N 485.404 4.346 50 10 JIGE O=C(N[C@H]1C[C@@H](CBr)[C@H]2C[C@@H]12)c1cc(Br)ccc1I 2329870050 LEUOQXAPKXVTBC-YTDXRRJTSA-N 498.984 4.203 50 10 JIGE C[C@@H](Br)CCc1cn(Cc2ccc(I)c(Br)c2)nn1 2349921016 OUSUQPOKRQRHJT-SECBINFHSA-N 498.988 4.410 50 10 JIGE COCCO[C@H]1[C@@H](OCc2c(Br)cccc2Br)C[C@H]1Br 2366144380 DTDBXDUBGNLVJB-HZSPNIEDSA-N 472.999 4.296 50 10 JIGE CC(C)COc1cccc(C(=O)NNC(=O)COc2ccc3ccccc3c2Br)c1 10280240 XDZPUUYVRAIGLL-UHFFFAOYSA-N 471.351 4.477 50 10 JIGE CC[C@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(OCCC(C)C)cc2)c1 10672377 UIDRTEAEMHIENR-KRWDZBQOSA-N 457.596 4.238 50 10 JIGE O=C(COc1ccc(Br)cc1Br)N/N=C1\CCCc2ccccc21 12584196 GMFPEWNZWQKPOM-LTGZKZEYSA-N 452.146 4.447 50 10 JIGE Cc1cc(Br)cc(C)c1O[C@H](C)C(=O)NNC(=O)COc1ccc(Cl)cc1Cl 14643063 WCEHHJQDRUHBPG-GFCCVEGCSA-N 490.181 4.366 50 10 JIGE CCOc1ccc(C(=O)NNC(=O)C(c2ccccc2)c2ccccc2)cc1Br 14770305 IJMJUJLGWKRVMD-UHFFFAOYSA-N 453.336 4.441 50 10 JIGE CC(C)CC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)/C=C\c2cccc3ccccc23)cc1 33458616 FZPPEJDGIRQBIT-QINSGFPZSA-N 474.586 4.173 50 10 JIGE O=C(CCCNC(=O)c1ccccc1Cl)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1 33959061 XEYJYQXVAMHDJC-OGLMXYFKSA-N 463.921 4.220 50 10 JIGE O=C(NNC1=N/C(=C\c2ccccc2)C(=O)N1c1ccccc1)c1ccc(Br)cc1 39986949 REKJLPLQJGIDEN-HKWRFOASSA-N 461.319 4.127 50 10 JIGE O=C(NNc1ncnc(Nc2ccc(Cl)c(Cl)c2)c1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] 40591511 OSEXLMIZTLUNAV-UHFFFAOYSA-N 464.225 4.100 50 10 JIGE COc1cccc(/C=N/NC(=O)CSc2nnc(CCc3ccccc3)n2-c2ccccc2)c1O 58990100 VNMGLTHXERMKSA-WPWMEQJKSA-N 487.585 4.009 50 10 JIGE O=S1(=O)CC[C@H]([C@H](Br)c2cc(Br)c(Br)s2)C1 128202064 PKUHXDKFPOYTDO-XNCJUZBTSA-N 453.015 4.144 50 10 JIGE CCCOc1cc(/C=N\NC(=O)c2cccn(Cc3ccc(Cl)cc3)c2=O)ccc1OC 169920340 ILRAHNLPARZMIK-YSMPRRRNSA-N 453.926 4.111 50 10 JIGE N#C/C(=C/NCCc1cccc(Br)c1)C(=O)N1CCC(Cc2ccccc2)CC1 216892071 HMIVMNGQWXJJFP-PYCFMQQDSA-N 452.396 4.470 50 10 JIGE Cc1sc(Br)cc1S(=O)(=O)NCCCCCCI 235812537 POFHSHJRAKXGLB-UHFFFAOYSA-N 466.204 4.093 50 10 JIGE CC(=NNC(=O)c1nnn(-c2nonc2N)c1CSc1ccc(C)cc1)c1ccc2ccccc2c1 254343333 NQTZSAUVOIKZHP-UHFFFAOYSA-N 498.572 4.140 50 10 JIGE COc1ccc(C=NNC(=O)c2cc(-c3ccc(OCc4ccccc4)cc3)n[nH]2)cc1OC 263631100 YXWXOXAPNXGADI-UHFFFAOYSA-N 456.502 4.437 50 10 JIGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(-c3cc([N+](=O)[O-])ccc3OC)o2)cc1 1084165535 KJMNEBZHHHZHQY-OAQYLSRUSA-N 467.478 4.226 50 10 JIGE CCCOc1ccc(C=NNC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1 1084184783 CBSMOXIPUAMQPL-UHFFFAOYSA-N 451.548 4.064 50 10 JIGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(C)c(C)c2C)c2ccccc2F)cc1 1084192517 RJSHYPMJPYKBFH-UHFFFAOYSA-N 467.566 4.405 50 10 JIGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@@H](c2ccc(O)cc2)C(C#N)=C(N)O3)cc1 1865684731 WTIOERZWJMFHSD-QHCPKHFHSA-N 466.497 4.480 50 10 JIGE CCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 1865715080 VKDZYHGLDDOHPK-IBGZPJMESA-N 451.324 4.424 50 10 JIGE CC(=O)CN1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(Cc3ccccc3)n2)CC1 1868207085 FSUNFAXGFIPFOC-UHFFFAOYSA-N 458.591 4.095 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1C[C@@H]2CC[C@@]2(CBr)C1 1903985278 WFTKWWOZKSROOV-LKFCYVNXSA-N 454.533 4.192 50 10 JIGE C[C@@](CBr)(NC(=O)c1cc(I)ccc1Br)C1CC1 2029957591 RRZBORQYBDTJFM-ZDUSSCGKSA-N 486.973 4.347 50 10 JIGE O=C(NCC1(F)CCN(C(=O)OCc2ccccc2)CC1)[C@@H](Br)C1CCCC1 2048144922 VWAFLYVMBRDBEP-SFHVURJKSA-N 455.368 4.197 50 10 JIGE C[C@@H]1CN(C(=O)c2ccc(Br)cc2I)CC[C@H]1Br 2086147541 OIIPCBDUBFJQAL-LDYMZIIASA-N 486.973 4.299 50 10 JIGE Cc1cc(S(=O)(=O)N[C@@H](C)CCCCCI)sc1Br 2117896204 YSTXOEDQSPLDFR-JTQLQIEISA-N 480.231 4.481 50 10 JIGE COc1c(C)cc(Br)cc1[C@@H](Cl)c1cnn(C)c1I 2141644914 FFVRVMUXQVUFIU-LLVKDONJSA-N 455.521 4.432 50 10 JIGE O=C(Nc1ccc(I)cc1[N+](=O)[O-])[C@H](Br)C1CCCC1 2167051527 WASBTKZIOCLZRX-GFCCVEGCSA-N 453.074 4.092 50 10 JIGE C[C@@H]1C[C@H]1N(CCBr)C(=O)Cc1cc(Br)cc(Br)c1 2277924875 JFZLPDNCDSFUTO-NOZJJQNGSA-N 454.000 4.386 50 10 JIGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(O)cc2)cc1 2296654296 MZBFKHLTUCEPTO-UHFFFAOYSA-N 456.546 4.160 50 10 JIGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)NC[C@H]3CCCO3)c(Oc3ccc(Cl)cc3Cl)nc12 2296722560 KOHSSXBUQJBTLN-QGZVFWFLSA-N 499.354 4.304 50 10 JIGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)cc1 2314618417 NGDGONFARPAQFF-DEOSSOPVSA-N 494.551 4.319 50 10 JIGE CCOC(=O)C(C#N)=Cc1cccc(OC(=O)c2cc(OC)c(OC)c(OC)c2Br)c1 2314753285 UZFRFLWTOGYLDX-UHFFFAOYSA-N 490.306 4.164 50 10 JIGE Cn1nc(Br)c(Br)c1[C@@H](Br)c1ncn2ccsc12 2316730818 LFXWQGJFUPLFDG-YFKPBYRVSA-N 454.973 4.139 50 10 JIGE O=C(N[C@H]1C[C@@H](CBr)[C@H]2C[C@H]12)c1ccc(I)c(Br)c1 2329878107 NEKANHNXQATWRK-WJZNIJOASA-N 498.984 4.203 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@H]2C[C@@H](CCl)[C@H]2C1 2330494994 AQROFUUKXCJUER-HBNTYKKESA-N 454.533 4.001 50 10 JIGE COC(=O)c1ccc2c(O)nc(C(C#N)=Cc3ccc(OC(=O)c4ccccc4)cc3)nc2c1 2331045438 QQLRMTZNQXEWJU-UHFFFAOYSA-N 451.438 4.405 50 10 JIGE C=CC[C@H](Cl)[C@@H]1CCN1C(=O)c1ccc(I)c(Br)c1 2335814505 OZFMYIWHMHBQTL-AAEUAGOBSA-N 454.533 4.452 50 10 JIGE CC[C@H](C)Oc1cccc(C(=O)NNC(=O)COc2ccc(Cl)cc2Br)c1 10663116 WVMPZFMVKKPKOI-LBPRGKRZSA-N 455.736 4.120 50 10 JIGE COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(OC(C)C)c(OC)c2)N1C(=O)CCl 11767175 TUQLEIQRUICVPW-DVECYGJZSA-N 470.953 4.218 50 10 JIGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 12491990 BTGTXUWEBWQELB-UHFFFAOYSA-N 460.490 4.219 50 10 JIGE Cc1cc(OCC(=O)NNC(=O)c2ccccc2OCCOc2ccccc2)cc(C)c1Cl 14040541 OVRYUGFHYQWHSS-UHFFFAOYSA-N 468.937 4.255 50 10 JIGE COc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 33853996 MPPWVJIANPUGPF-SDXDJHTJSA-N 452.470 4.350 50 10 JIGE COc1cccc(NC(=O)/C(C#N)=C/c2c(Oc3ccccc3C)nc3ccccn3c2=O)c1 39993160 UHRCZSMHIQHLTH-NBVRZTHBSA-N 452.470 4.350 50 10 JIGE O=C(NNc1ncnc(Nc2ccc(Cl)cc2Cl)c1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 40650206 ZFVHLNVMBADMLH-UHFFFAOYSA-N 464.225 4.100 50 10 JIGE Nc1c(NNC(=O)c2ccccc2Br)ncnc1Nc1cccc(C(F)(F)F)c1 40781939 HIAHOBHOLSXDNK-UHFFFAOYSA-N 467.249 4.341 50 10 JIGE C=CCNC(=O)c1oc2c(c1C)/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 40816314 UTVZUUFEDCUCSZ-MFKUBSTISA-N 450.322 4.046 50 10 JIGE C=CCNC(=O)/C(C#N)=C1\S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccc(OCC)cc1 101241800 ICSLULFMQOADTM-GHIWRQRASA-N 467.978 4.467 50 10 JIGE COCCn1c(CBr)nnc1-c1cc(Br)cc(Br)c1 234670587 PAAPYIKJELVXIV-UHFFFAOYSA-N 453.960 4.011 50 10 JIGE COc1ccc(C=NNC(=O)c2cc(-c3ccc(OCc4ccccc4)c(OC)c3)n[nH]2)cc1OC 254823596 USIZDTHZARWSHN-UHFFFAOYSA-N 486.528 4.445 50 10 JIGE CN([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(CCl)cc1Br 388844224 YKAYXXLPJUUDGT-KRWDZBQOSA-N 457.821 4.083 50 10 JIGE CN([C@@H]1CCC[C@@H]1Br)S(=O)(=O)c1cc(Br)ccc1Br 709123471 CPTOVCDVEMRWQB-GXSJLCMTSA-N 476.028 4.148 50 10 JIGE Cc1ccc(-c2noc(COC(=O)/C(C#N)=C/c3cn(CCC#N)nc3-c3ccccc3)n2)cc1 761380814 DBGIKZDOSVBXNX-KGENOOAVSA-N 464.485 4.473 50 10 JIGE N#CCCn1cc(/C=C(\C#N)C(=O)NCc2cccc(Br)c2)c(-c2ccccc2)n1 914471541 AWXRTCYXWCWUAU-CPNJWEJPSA-N 460.335 4.450 50 10 JIGE Cc1cc(/C=C(\C#N)C(=O)N2CCC(N3CCNC3=O)CC2)c(C)n1-c1cccc(C(F)(F)F)c1 917785733 DKVWSRDMFXHDAZ-CPNJWEJPSA-N 485.510 4.036 50 10 JIGE CCOc1cc(C=NNC(=O)Cc2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1084217389 RJGSYXVCFXABQO-UHFFFAOYSA-N 492.528 4.023 50 10 JIGE Cc1ccccc1SCC(=O)NN=Cc1cc(Br)cc(Br)c1O 1084553943 IBYKKEZUUTXOTR-UHFFFAOYSA-N 458.175 4.468 50 10 JIGE O=C(Cc1cc(N[C@@H]2NC=Nc3cc(OCCCCl)ccc32)n[nH]1)Nc1cccc(F)c1 1772508600 ZULXEWQUWDNGCT-QFIPXVFZSA-N 456.909 4.111 50 10 JIGE Cc1c(C(=O)NC2CC(C)(C)NC(C)(C)C2)oc2c1C(=NNC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 1772743799 IWLNWTBUKCTCFU-UHFFFAOYSA-N 495.580 4.006 50 10 JIGE COc1ccc(/C=C/C(=O)N/N=C2\C(=O)N(Cc3ccccc3Cl)c3ccccc32)cc1OC 1860822583 HGKSUYMCLHBSDZ-JXFPDUNOSA-N 475.932 4.438 50 10 JIGE COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cc(C)ccc2C)cc1OC 1865710586 CAQBBKJIJNYCGH-DEOSSOPVSA-N 460.534 4.101 50 10 JIGE C[C@@H]1CN(Cc2ccccc2)CCN1S(=O)(=O)c1ccc(CBr)c(Cl)c1 1885142598 WHDJJKVYZOPXMB-OAHLLOKOSA-N 457.821 4.130 50 10 JIGE Cn1nc(Br)c([C@@H](Cl)c2sc(Cl)cc2I)n1 1900954697 VKNIRCWMPQPRNK-RXMQYKEDSA-N 452.930 4.225 50 10 JIGE C[C@@H]1[C@H](Br)CCN1C(=O)c1ccc(I)c(Br)c1 1914403843 XZHQQVFNAVOFFM-VXNVDRBHSA-N 472.946 4.052 50 10 JIGE CCOc1c(I)cc(C(=O)CBr)cc1OC(F)(F)F 2055080426 YAXDGUMFKVIYJF-UHFFFAOYSA-N 452.992 4.166 50 10 JIGE O=C(Cl)c1cc(I)c(I)c(C(F)(F)F)c1 2060039889 KJRYHMJROBKPKC-UHFFFAOYSA-N 460.358 4.294 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CN(C(=O)OC(C)(C)C)C2(CCOCC2)C1 2061263061 YTGLINIQCXFABR-QGZVFWFLSA-N 491.720 4.041 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@H]2[C@H](Br)CC[C@H]2C1 2087938487 XNBLXAPSHSZVNU-HBNTYKKESA-N 498.984 4.299 50 10 JIGE O=C(c1csc(Br)c1Br)N1CC[C@@]2(C[C@H](Br)CO2)C1 2137120145 DHXNUWAWPDJDRB-JVXZTZIISA-N 474.012 4.042 50 10 JIGE COc1cc(CBr)cc(Br)c1OCc1nn(C)cc1Br 2143620697 FZHYHKVRCRFIKG-UHFFFAOYSA-N 468.971 4.428 50 10 JIGE Cc1cc(S(=O)(=O)N(C)[C@@H]2CC[C@@H]2OCc2ccccc2)cc(CBr)c1F 2179859139 YYRQFOZIWATGEK-MOPGFXCFSA-N 456.377 4.397 50 10 JIGE O=S(=O)(c1ccsc1CBr)N1CCC[C@H]1[C@H]1CCN(Cc2ccccc2)C1 2179868837 PMJYKSUTRRATBA-ROUUACIJSA-N 469.470 4.318 50 10 JIGE COc1cc(OC)c([C@H](Br)c2cn(C)c(Br)n2)cc1Br 2295416566 KOJXGJRIQGJPNV-LBPRGKRZSA-N 468.971 4.447 50 10 JIGE COc1ccc(CCNC(=O)C(C#N)=Cc2ccc(COc3ccc([N+](=O)[O-])cc3)o2)cc1OC 2295680587 ZBUZFKSLQXMJHD-UHFFFAOYSA-N 477.473 4.050 50 10 JIGE CCOc1ccc(NC(=O)C(C#N)=Cc2c(N3CCC(C)CC3)nc3c(C)cccn3c2=O)cc1 2296732257 NEKQPXHFUIGBPJ-UHFFFAOYSA-N 471.561 4.184 50 10 JIGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCC#N 2313568589 WXHIPXKEKDIKRJ-UHFFFAOYSA-N 495.377 4.006 50 10 JIGE C=CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)c(OC)c2)C(C)=C(C#N)C1=O 2314616651 GJVKWCPCTMYIIR-UHFFFAOYSA-N 480.524 4.335 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1[C@H]2CC[C@@H]1[C@H](CCl)C2 2329071296 LTEIAXBWJVIUPR-OUJBWJOFSA-N 454.533 4.286 50 10 JIGE CC(C)(C)OC(=O)N1C[C@@H](C(F)(F)F)[C@H](CNC(=O)[C@H](Br)C2CCCC2)C1 2354959405 XIPIFMRUXCYBHN-MGPQQGTHSA-N 457.331 4.102 50 10 JIGE COc1cc(/C=N/NC(=O)COc2cc(C)ccc2C(C)C)ccc1OC(=O)c1ccco1 3085442 UUIWEJMFPPTSCR-VULFUBBASA-N 450.491 4.468 50 10 JIGE CCCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCCC(C)C)cc2)cc1 14037305 AAVZXKRPYSFTPB-UHFFFAOYSA-N 484.622 4.190 50 10 JIGE COCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C/c2ccc(Cl)c(Cl)c2)c(OC)c1 33378325 NIWWNMQJITYQBC-GZZPHGLASA-N 475.328 4.290 50 10 JIGE Cc1cccc(C)c1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc([N+](=O)[O-])cc1 38654726 VACJUUMWNRMXDA-XMMPIXPASA-N 471.469 4.414 50 10 JIGE O=C(NNc1ncnc(N(Cc2ccccc2)c2ccccn2)c1[N+](=O)[O-])c1ccc(F)cc1 40657986 QESQQMYDMMHYPG-UHFFFAOYSA-N 459.441 4.014 50 10 JIGE COC(=O)[C@@H](Br)Cc1c(Br)cc(Br)cc1Br 71126205 ZPKKGBZFDLFGEF-VIFPVBQESA-N 479.788 4.453 50 10 JIGE COc1cc(/C=C(/C#N)C(=O)N2CCOCC2)ccc1OC(=O)/C(C#N)=C\c1ccc(C(C)C)cc1 207204553 PKXJJBNSKJJDAR-WYABZLQBSA-N 485.540 4.097 50 10 JIGE CCOC(=O)c1ccccc1N/C=C(/C#N)C(=O)Nc1ccc(I)cc1C 217253698 ORKUXJPKLMSGBZ-OWBHPGMISA-N 475.286 4.234 50 10 JIGE CC(=NNC(=O)CSc1nnc(SCc2ccccc2)s1)c1cccc([N+](=O)[O-])c1 254291141 IWMDGQYBPZTGKR-UHFFFAOYSA-N 459.578 4.371 50 10 JIGE O=C(NC1(CBr)CCCCCC1)c1ccc(I)c(O)c1 713490620 UTTWTGAWUKLOOA-UHFFFAOYSA-N 452.130 4.215 50 10 JIGE CC(=NNC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1 1084396313 NDHGUNHFEGWXFF-UHFFFAOYSA-N 453.539 4.178 50 10 JIGE O=C(NCc1ccccc1)C(=O)NN=Cc1cccc(OCc2ccc(Cl)cc2Cl)c1 1084576685 SBEQZCPULTXBMH-UHFFFAOYSA-N 456.329 4.339 50 10 JIGE Nn1c(SCCCC(=O)NN=Cc2ccc(Cl)cc2)nnc1-c1ccccc1Br 1084640033 XSPNPWUPCLJMMX-UHFFFAOYSA-N 493.818 4.097 50 10 JIGE Cc1c(C(=O)NNC(=O)c2ccccc2)oc2c1C(=NNC(=O)c1cccc3ccccc13)CCC2 1772747535 IYAQYXRMMOYNAT-UHFFFAOYSA-N 480.524 4.286 50 10 JIGE COc1ccc(C(=O)COc2cccnc2NC(=O)Oc2ccc([N+](=O)[O-])cc2F)c(OC)c1 1858696189 ZQQUYKUHXJWEHF-UHFFFAOYSA-N 471.397 4.019 50 10 JIGE Cc1sc2ncn(CC(=O)N/N=C/c3ccccc3Br)c(=O)c2c1-c1ccccc1 1860773059 OHBOZGJMYNMSJE-OPEKNORGSA-N 481.375 4.346 50 10 JIGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Br)cc2)ccc1O 1865680692 SIPNZARYCVNJPY-FQEVSTJZSA-N 467.323 4.266 50 10 JIGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1cccc(OC)c1O)C(C#N)=C(N)O2 1865684607 TUWYHHFGLXUQFQ-SFHVURJKSA-N 467.323 4.130 50 10 JIGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)c1 1865691985 GUBUYLIXDBPBEZ-SFHVURJKSA-N 474.414 4.325 50 10 JIGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865714866 RXNSTSVEONGSAC-FQEVSTJZSA-N 465.897 4.369 50 10 JIGE C[C@H](Br)[C@H]1CCCN1c1ncc(I)cc1Br 1990075951 UEAKXNAJILUOBQ-OIBJUYFYSA-N 459.951 4.201 50 10 JIGE Cc1csc(CBr)c1S(=O)(=O)N1CCCN(Cc2ccccc2)CCC1 2123228073 ACLJPNFNJFHQJI-UHFFFAOYSA-N 457.459 4.238 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1CCC(F)(CBr)CC1 2157516345 FWTGFDAVTXIHSU-UHFFFAOYSA-N 494.018 4.099 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CCC([C@H](F)CCl)CC1 2163240190 IQCITYGUIPKDNC-GFCCVEGCSA-N 474.539 4.483 50 10 JIGE O=C(c1cc(I)ccc1F)N1CC[C@@]2(CCC[C@@H]2Br)C1 2169667092 YBQBIHKWTVYFDI-ZFWWWQNUSA-N 452.105 4.210 50 10 JIGE CN(C(=O)c1cccc(F)c1I)[C@H](CCBr)C(F)(F)F 2178509777 AYFHYMSJNRNGEC-SECBINFHSA-N 468.026 4.218 50 10 JIGE CN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1cc(CBr)ccc1F 2179784592 BCWAYCYFBBZHKX-UHFFFAOYSA-N 455.393 4.006 50 10 JIGE CN(C[C@@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(CCBr)s1 2179822510 XLHZMTFJSYZOPE-SFHVURJKSA-N 471.486 4.218 50 10 JIGE C[C@H](Br)C[C@H]1COCCN1C(=O)c1c(Br)cccc1Br 2185307163 AWSUXGNGABOKMG-UWVGGRQHSA-N 469.999 4.226 50 10 JIGE CS(=O)(=O)[C@H]1C[C@H](COc2c(Br)cc(Br)cc2CBr)C1 2285471170 WVSGAHAYYAIAJI-JLIMDTESSA-N 491.039 4.309 50 10 JIGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1ccc(Br)c(O)c1 2303700298 WRKVZUARLFBXQE-HNNXBMFYSA-N 457.162 4.255 50 10 JIGE CCCCCCCCCOc1ccc(C=NNC(=O)Cc2c(C)nc(O)nc2O)cc1OC 2323717112 VODJPWWCXJGTSE-UHFFFAOYSA-N 458.559 4.027 50 10 JIGE CCCOc1ccc(C=NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1OCC 2325903203 FXEWCLFVWVMVFV-DLBZAZTESA-N 496.633 4.482 50 10 JIGE C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)NN=Cc4ccccc4Br)c(=O)c23)C1 2325903252 LIBBNDKHCFWSFU-CHWSQXEVSA-N 473.396 4.057 50 10 JIGE COc1cccc(C=NNC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)c1OCc1ccccc1 2328826142 HMWNBISQFDCMBO-FQEVSTJZSA-N 487.622 4.371 50 10 JIGE CC[C@]1(C)[C@@H](Br)CCN1S(=O)(=O)c1cc(Cl)c(Br)s1 2336754243 SIORMRJYPJOXRX-GZMMTYOYSA-N 451.633 4.491 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCNc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C#N 2339297728 NFDGHFMETDRVRZ-UHFFFAOYSA-N 479.477 4.175 50 10 JIGE COc1ccc(OC)c(/C=C\C(=O)NNC(=O)c2ccc(COc3cccc4cccnc34)cc2)c1 4465299 ZNZNQNWFNYESSO-QINSGFPZSA-N 483.524 4.305 50 10 JIGE O=C(COc1ccc2ccccc2c1)NNC(=S)NC(=O)c1ccc(-c2ccccc2)cc1 12500688 VJEBAIUQXSCGQS-UHFFFAOYSA-N 455.539 4.221 50 10 JIGE Cc1ccc2c(c1Br)C(=NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N2 12577927 YVOCQUHBALVVTL-SECBINFHSA-N 471.138 4.304 50 10 JIGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)[C@@H](C)Oc3ccc(Cl)cc3)cc2)c1 14007310 SSFSCAXIJJXNSO-MRXNPFEDSA-N 451.910 4.129 50 10 JIGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)c2ccc(OCCOc3ccccc3)cc2)cc1 14039524 YKULQOWMLKNRQR-FQEVSTJZSA-N 462.546 4.498 50 10 JIGE O=C(COc1cccc2ccccc12)NNC(=S)NC(=O)c1ccc(OCCc2ccccc2)cc1 14041895 GIGKZQPEXALKPY-UHFFFAOYSA-N 499.592 4.176 50 10 JIGE CC[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)COc1ccc(Br)cc1 14768711 AMQJZFGUKUQMJW-QFIPXVFZSA-N 483.362 4.500 50 10 JIGE N#CC1=C(N)Oc2cc(OC(=O)[C@@H]3COc4ccccc4O3)ccc2[C@@H]1c1c(F)cccc1Cl 38700591 VUDYNPULOMXCIY-VXKWHMMOSA-N 478.863 4.443 50 10 JIGE Cc1ccc(Oc2ncnc(NNC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2[N+](=O)[O-])cc1C 40658695 PQDKZTNQFWCPSE-UHFFFAOYSA-N 458.818 4.112 50 10 JIGE CCC(C)(C)C(=O)O[C@@H]1CC(C)=CC2=C[C@H](OO)[C@H](C)[C@H](CC[C@H]3C[C@@H](O)CC(=O)O3)[C@H]21 97978328 GORLEWXBBZEXHV-VRCXNPAZSA-N 450.572 4.198 50 10 JIGE in-vitro O=C(N[C@@H]1CCCC[C@@H]1Br)c1cc(Br)ccc1I 232461099 ZGWKAPZPFZCMOI-CMPLNLGQSA-N 486.973 4.490 50 10 JIGE COC(=O)c1ccc(C=NNC(=O)CSc2nc3ccccc3n2Cc2ccc(C)cc2)cc1 254350150 JHAVUIUOBBOFIW-UHFFFAOYSA-N 472.570 4.422 50 10 JIGE C[C@@H]1CN(Cc2ccccc2)CCCN1S(=O)(=O)c1cc(CCl)oc1Br 382645429 JRTIOJLTXGYPHV-CQSZACIVSA-N 461.809 4.066 50 10 JIGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2cc(O)ccc2[N+](=O)[O-])C1 725403879 ZYVAQNRLAXUIEL-RHSMWYFYSA-N 482.274 4.088 50 10 JIGE CSc1ccc(C=NNC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1 1084533749 YJEAUOFJMZQUBF-UHFFFAOYSA-N 467.616 4.371 50 10 JIGE C#Cc1cccc(NC(=S)NNC(=O)C(C)(C)c2csc(-c3c(F)cccc3F)n2)c1 1176937444 MPZAIJRQGSRUCY-UHFFFAOYSA-N 456.543 4.365 50 10 JIGE CC(C)C[C@H](C(=O)N[C@H](CO)C(=O)Nc1ccc(SC#N)cc1)c1cccc(Br)c1 1867201671 HKKNYQPPASWBEP-VQTJNVASSA-N 490.423 4.268 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCNc1ccc(I)cc1N 1985350902 XHVVHGNJZQDUBL-UHFFFAOYSA-N 469.414 4.191 50 10 JIGE C[C@H]1[C@H](CBr)CCN1c1ncc(I)cc1Br 1988531668 VXFJLPFVTKNSQC-YUMQZZPRSA-N 459.951 4.058 50 10 JIGE CN(C)C[C@H]1C[C@H](Br)CN1Cc1cccc(Br)c1Br 2122394010 UFIJNGVZXSIEGG-NWDGAFQWSA-N 455.032 4.111 50 10 JIGE O=C(c1cc(Br)sc1Br)N1CC[C@@H](OCCCBr)C1 2142058817 ZDMVONHJFZREKI-MRVPVSSYSA-N 476.028 4.289 50 10 JIGE C[C@@H](CCCCCI)NS(=O)(=O)c1ccc(Br)cc1F 2174527955 XTAKCCABBVZRBI-JTQLQIEISA-N 478.165 4.250 50 10 JIGE CC1(C)CO[C@@H](CO[C@H](CI)c2ccccc2Br)CO1 2179852050 QZDBEYNSTDRYOX-SMDDNHRTSA-N 455.130 4.136 50 10 JIGE CC(C)[S@@](=O)(=NCCCCCI)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2214709788 UFCWDYNIVCUBGA-OWJWWREXSA-N 472.433 4.478 50 10 JIGE Cc1nc(COc2c(Br)cc(CBr)cc2Br)nn1C 2228240545 PVTPJLZPQBIMHK-UHFFFAOYSA-N 453.960 4.122 50 10 JIGE CC(CBr)(CBr)NC(=O)c1scc(Br)c1Cl 2242661955 QLLULGFLLGQOTQ-UHFFFAOYSA-N 454.409 4.442 50 10 JIGE C[C@H]1CN(C(=O)Cc2cc(Br)cc(Br)c2)C[C@H]1CBr 2277934731 KGHVHWOQVZNQCF-GXSJLCMTSA-N 454.000 4.244 50 10 JIGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)N3CCCCC3)c(Oc3ccc(Br)cc3)nc12 2296719445 TYQRAUOEEZCTFD-UHFFFAOYSA-N 493.361 4.477 50 10 JIGE COc1ccc(C(=O)NCC(=O)NN=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)cc1OC 2297710022 BSLQYXHYWYKCNY-UHFFFAOYSA-N 476.316 4.151 50 10 JIGE O=C(N[C@@H](CCCl)COCc1ccccc1)c1c(F)cccc1I 2303699187 IXBPCNHGRPDZFJ-AWEZNQCLSA-N 461.702 4.374 50 10 JIGE Cc1ccc(C(C)C)c(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)NC[C@H]2CCCO2)c1 2314436810 IDCOLYWKVOFLLK-HXUWFJFHSA-N 472.545 4.121 50 10 JIGE O=C(N[C@H](CBr)C(F)(F)F)c1ccc(Cl)cc1I 2317767780 AUKUKJCIAYLLFE-MRVPVSSYSA-N 456.427 4.000 50 10 JIGE CC(C)(C)OC(=O)N1C[C@H](I)[C@H](O[C@H]2CCCCC23CCOCC3)C1 2319694028 UVYVWRCTERBSNH-XHSDSOJGSA-N 465.372 4.165 50 10 JIGE N#CC(=C(O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1nc(-c2ccc(Cl)cc2)cs1 2331300457 HAVLPKSJVRNFHA-UHFFFAOYSA-N 466.862 4.461 50 10 JIGE CC1(C)CN(C(=O)c2ccc(Cl)cc2I)C[C@@H]1CBr 2340063812 BLVLNOKKYLLNGJ-VIFPVBQESA-N 456.549 4.438 50 10 JIGE O=C(c1cc(Br)c(Br)s1)N1CC2(CCOCC2)[C@@H]1CBr 2381139538 YFKDJGJEWAEIRO-JTQLQIEISA-N 488.039 4.289 50 10 JIGE O=C(NNC(=O)c1ccc(Cl)cc1I)c1ccc(COc2ccccc2)o1 33225368 NBZUICPQUXKKKP-UHFFFAOYSA-N 496.688 4.191 50 10 JIGE COCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cc(C)ccc2C)C1=O 38606064 HYASGKCVQSMTOK-BUVRLJJBSA-N 466.541 4.395 50 10 JIGE Nc1c(NNC(=O)COc2ccc(Cl)cc2Cl)ncnc1Nc1ccccc1Br 40781437 YODWEQIROVQMMJ-UHFFFAOYSA-N 498.168 4.394 50 10 JIGE C/C(=N\NC(=O)CSc1nnc(-c2ccccc2Br)n1N)c1ccc2ccccc2c1 58991269 RGXHSSSSHBDHRJ-AFUMVMLFSA-N 495.406 4.207 50 10 JIGE O=C(N/N=C/c1cc(Br)ccc1O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 96286793 XZZNECUHQLRLOZ-FSJBWODESA-N 483.278 4.079 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N(C)C(C)(C)CBr)cc1Br 128665195 WNDWAYZDGRTRJC-UHFFFAOYSA-N 478.044 4.314 50 10 JIGE O=S(=O)(N[C@@H]1CCCC[C@H]1Br)c1cc(Br)ccc1Br 136956615 OGOFDFLFKMKOJN-MWLCHTKSSA-N 476.028 4.196 50 10 JIGE CCOC(=O)c1cnn(-c2cc(C)c3cc(C)cc(C)c3n2)c1NC(=O)[C@H](C)Br 170536573 XMHGIXAPMUZYGT-AWEZNQCLSA-N 459.344 4.244 50 10 JIGE CCCOc1ccccc1/C=C(/C#N)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 206984852 GJXVJMCOFFBKKX-MNDPQUGUSA-N 462.531 4.217 50 10 JIGE CCc1cc2c(=O)n(CC(=O)NN=Cc3ccc(OCc4ccc(C)cc4)cc3)cnc2s1 254314016 WVKYFZYHLCBXML-UHFFFAOYSA-N 460.559 4.058 50 10 JIGE CN1C[C@H](CI)[C@H](c2cc(Br)ccc2Br)C1 394605289 HGHLWGZWCWAKDV-GZMMTYOYSA-N 458.963 4.292 50 10 JIGE Cc1ccc(-n2nc(C)c(CC(=O)NNc3ccc(S(=O)(=O)C(F)F)cc3)c2C)cc1Cl 728972732 PYGVYCQBQYOCBW-UHFFFAOYSA-N 482.940 4.133 50 10 JIGE COc1cc(OC)cc(C(=O)NNC(=O)[C@H](Oc2ccc(F)c(Cl)c2)c2ccccc2)c1 730469199 IGKGKNNUXXNHHT-OAQYLSRUSA-N 458.873 4.078 50 10 JIGE Cc1ccccc1CN(C)C(=O)[C@@H](C)OC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1 853447043 BZOUQIFGQHMOQP-KCOUNZPASA-N 481.556 4.269 50 10 JIGE N#CCCn1cc(/C=C(\C#N)C(=O)N2CCC([C@@H](O)c3ccccc3)CC2)c(-c2ccccc2)n1 914536058 GNLZFHOMYJVNMH-OLIAQGHGSA-N 465.557 4.343 50 10 JIGE C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)N/N=C/c4ccccc4Br)c(=O)c23)C1 1860774056 LIBBNDKHCFWSFU-CXQCRDLUSA-N 473.396 4.057 50 10 JIGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(C)cc2)cc1O 1865682504 QHLPRFARMVVUBJ-GOSISDBHSA-N 456.424 4.191 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CC[C@H](Cl)C12CCC2 1914447445 JAJVMXMRCDBHJW-LBPRGKRZSA-N 454.533 4.430 50 10 JIGE CCOC(=O)Cc1c(C(F)(F)F)ccc(I)c1CBr 2055275630 MYINEZWEFJPLQS-UHFFFAOYSA-N 451.020 4.311 50 10 JIGE CN(C(=O)c1sccc1I)[C@@H](CCBr)C(F)(F)F 2058222539 XFKNGZJJZGZLNO-ZETCQYMHSA-N 456.065 4.141 50 10 JIGE O=C(c1ccc(Br)cc1Br)N1CC[C@H]2[C@H](C1)[C@@H]2CBr 2093138561 VHECNMIJPMENGK-JLLWLGSASA-N 451.984 4.315 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CC[C@@H](Br)C2(CC2)C1 2093180780 NZXPAZFQVXYDEO-GFCCVEGCSA-N 498.984 4.443 50 10 JIGE COc1c(C)cc(Br)cc1[C@H](Cl)c1cnn(C)c1I 2141644915 FFVRVMUXQVUFIU-NSHDSACASA-N 455.521 4.432 50 10 JIGE O=C(c1cc(I)ccc1F)N1CC2(CC[C@H]1CBr)CC2 2169662034 BUFYXIQGJUYCBL-NSHDSACASA-N 452.105 4.210 50 10 JIGE Cc1cccc(C(=O)N2C[C@@H](CBr)CC(C)(C)C2)c1I 2172586693 SCTVBSJBVGOGHU-GFCCVEGCSA-N 450.158 4.483 50 10 JIGE CN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(F)c(Cl)c(CBr)c1 2179861216 DRXMIPZHHOSOPU-MRXNPFEDSA-N 475.811 4.269 50 10 JIGE CN([C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)S(=O)(=O)c1ccsc1CBr 2179870058 GRBCNRUZBGJMCI-PIIMJCKOSA-N 469.470 4.459 50 10 JIGE O=C(c1ccc(Br)c(C(F)(F)F)c1)N1C[C@@H](Br)[C@H](Br)C1 2196129218 IEHCBJPEFOXMDM-NXEZZACHSA-N 479.916 4.451 50 10 JIGE COc1cc(NC(=O)OCc2ccccc2)c(C(=O)O)cc1OC[C@H]1C[C@H]1Br 2256378232 AIUXAPGKXGLPOP-UKRRQHHQSA-N 450.285 4.304 50 10 JIGE CC1(C)CN(C(=O)Cc2cc(Br)cc(Br)c2)[C@H]1CBr 2277916399 NOWFZMSUOIBJLJ-LBPRGKRZSA-N 454.000 4.386 50 10 JIGE CCCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)OC)cc2OC)cc1OC 2293198087 JBKPHTAABAPLKD-UHFFFAOYSA-N 451.475 4.191 50 10 JIGE COC(=O)c1ccc(C(=O)OC)c(NC=C(C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)c1 2295937288 OQWMFKILDMNGAC-UHFFFAOYSA-N 463.471 4.089 50 10 JIGE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)S(=O)(=O)c2ccccc2)c1 2296542796 SELAKSWEDYCCMD-UHFFFAOYSA-N 457.511 4.442 50 10 JIGE N#CC(=Cc1ccccc1OC(F)F)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 2297382312 PBAOVVMUAROLRB-UHFFFAOYSA-N 461.490 4.008 50 10 JIGE CCOCCCNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O 2297388093 TURJIWSAMGJSJJ-UHFFFAOYSA-N 468.513 4.095 50 10 JIGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2CCS2(=O)=O)c1Br 2339690627 KBTQTSCBTGVSTC-PSASIEDQSA-N 477.012 4.152 50 10 JIGE Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C3/C(=O)Nc4ccc(Br)cc43)cc2)c1 13980245 GMLVQCFFEMHUPR-UHFFFAOYSA-N 477.318 4.096 50 10 JIGE CCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(C(C)C)cc1 14036131 HSJHNJZOGXOILE-UHFFFAOYSA-N 457.596 4.094 50 10 JIGE CCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(C)c(Br)c1 14036221 AUCJVYXXPWLPMC-UHFFFAOYSA-N 478.412 4.276 50 10 JIGE Cc1ccccc1C(=O)NCC(=O)NNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 17360785 ICFSWKSEJOSOFN-UHFFFAOYSA-N 472.932 4.055 50 10 JIGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNC(=O)COc1ccc(Cl)cc1Cl)[C@@H]2Br 35548473 OWLCRPYEJNOYGZ-OLMNPRSZSA-N 464.187 4.109 50 10 JIGE COc1cc(Br)cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)c1O 97729954 GYUQVTZJCYQUDL-BRJLIKDPSA-N 486.297 4.319 50 10 JIGE COc1ccc(Cl)cc1N/C=C1/C(=O)N(CCc2ccc(OC)c(OC)c2)C(=O)C(C#N)=C1C 101234090 KZBPLYSZPLSWPX-XMHGGMMESA-N 481.936 4.113 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2[C@H]3CC[C@H]2CC(Cl)C3)cc1Br 155820230 YMTOTERXAMNVOR-QWRGUYRKSA-N 457.615 4.443 50 10 JIGE CCN(Cc1ccccc1)c1ccc(/C=N\NC(=O)CCc2nc3ccccc3nc2O)cc1 169887045 BFDXRUCBFDUWOJ-VEILYXNESA-N 453.546 4.445 50 10 JIGE O=C(N/N=C\c1ccc(C(F)(F)F)cc1)c1ccc(Nc2nc3ccccc3c(=O)[nH]2)cc1 169927889 WEWGAYJLUXMVMO-WKIKZPBSSA-N 451.408 4.449 50 10 JIGE CCn1c(SCC(=O)NN=Cc2ccccc2[N+](=O)[O-])nnc1-c1ccc(C(C)(C)C)cc1 254304426 XJNURZQAOLNIOZ-UHFFFAOYSA-N 466.567 4.413 50 10 JIGE CC(=C/c1ccccc1)/C=C(\NC(=O)c1ccccc1)C(=O)NN=Cc1ccc([N+](=O)[O-])cc1 254306619 HZYYNLUGGRTLKP-XKNAOUIASA-N 454.486 4.462 50 10 JIGE O=C(Oc1ccc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-])c1ccccc1 254794065 AIJVRFCYZNPEPR-UHFFFAOYSA-N 495.491 4.200 50 10 JIGE CC1(C)C[C@H](NC(=O)c2cc(I)ccc2O)C[C@H](Br)C1 693891459 ISWHYRSEGMMKSM-GXSJLCMTSA-N 452.130 4.069 50 10 JIGE O=S(=O)(N[C@@H](CBr)CC(F)(F)F)c1ccc(Cl)c(Br)c1 717827208 DWUJLVGFJZEOJU-ZCFIWIBFSA-N 459.509 4.097 50 10 JIGE O=C(NCC1(CBr)CCC1)c1ccc(I)c(Br)c1 721607650 ZYHBKFRDCIBIQY-UHFFFAOYSA-N 486.973 4.349 50 10 JIGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCC#N 725444601 UTGFQHGSPGMOGB-QHCPKHFHSA-N 465.550 4.079 50 10 JIGE Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(N3C(=O)CN(C)C3=O)c2)c(C)n1-c1ccc(F)cc1 916086821 DWZYBSYPIRGBRV-UNOMPAQXSA-N 471.492 4.177 50 10 JIGE Cc1cccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)ccc3O)c2)c1 1082753877 UNZCRAYQZVFQNP-UHFFFAOYSA-N 452.308 4.479 50 10 JIGE CSc1ccc(C=NNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 1083991471 VHIQCMCTGFGILC-UHFFFAOYSA-N 471.579 4.202 50 10 JIGE CCOc1ccc(N(CC(=O)NN=C(C)C(C)(C)C)S(=O)(=O)c2ccc(Cl)cc2)cc1 1083994938 BFIVVGSAILPJJR-UHFFFAOYSA-N 466.003 4.472 50 10 JIGE O=C(Cn1cnc2ccccc21)NN=C1C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccccc21 1084100991 BDJZGQTVCWASHT-UHFFFAOYSA-N 478.339 4.410 50 10 JIGE O=C(NN=C1C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc21)c1cc2ccccc2cc1O 1084152087 LGCTVBPVFULTIQ-UHFFFAOYSA-N 466.453 4.135 50 10 JIGE CCCCCN1C(=O)C(=NNC(=O)[C@H](C)Oc2ccc(Cl)cc2C)c2cc(OC)ccc21 1772720436 MGCVCXBCZRCXBN-INIZCTEOSA-N 457.958 4.482 50 10 JIGE Cc1c(C(=O)Nc2cccc([N+](=O)[O-])c2)oc2c1C(=NNC(=O)c1ccccc1F)CCC2 1772743952 MCRZYWFYRYVXPG-UHFFFAOYSA-N 450.426 4.358 50 10 JIGE C[C@H](C(=O)NNC(=O)c1ccc(-c2ccc3ccccc3c2)s1)N1C(=O)c2ccccc2C1=O 1860391504 KUDRTMOJHGLZMY-OAHLLOKOSA-N 469.522 4.014 50 10 JIGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@H](c2ccc(O)c(O)c2)C(C#N)=C(N)O3)cc1 1865680632 QLYSEGYFUUGYEZ-HSZRJFAPSA-N 482.496 4.186 50 10 JIGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)c(OC)c1 1865708145 PHFLEGOEESMDSY-SFHVURJKSA-N 474.414 4.325 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCNC[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1903223545 ALTKAMTURQSQQA-MRXNPFEDSA-N 461.694 4.272 50 10 JIGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N(Cc1ccccc1)[C@@H](CCl)C1CC1 1915152371 LESDNQUBSBMLMZ-QFIPXVFZSA-N 489.037 4.158 50 10 JIGE CN(C[C@@H]1CCC[C@H]1Br)c1ncc(I)cc1Br 2015761719 ATXKPRIBCOFUKY-WCBMZHEXSA-N 473.978 4.449 50 10 JIGE O=C(N[C@@H](CCBr)C1CC1)c1ccc(I)c(Br)c1 2029969444 CJITWDBGHOSIPH-LBPRGKRZSA-N 486.973 4.347 50 10 JIGE CC1(C)CO[C@@H](CBr)CN1C(=O)c1cc(Br)sc1Br 2111233827 KZIGFMHELWIXEJ-ZETCQYMHSA-N 476.028 4.288 50 10 JIGE O=C(c1ccc(F)cc1I)N1CC2(CC[C@H]1CBr)CC2 2154165213 AKTFJERMFUOIGQ-NSHDSACASA-N 452.105 4.210 50 10 JIGE CN([C@@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]21)S(=O)(=O)c1ccc(CBr)o1 2190546538 HJFJPXSJJNFSSK-JCHJZTRSSA-N 454.386 4.179 50 10 JIGE O=C(N[C@H]1C[C@H](CBr)[C@H]2C[C@@H]12)c1scc(Br)c1Br 2309226090 PPHNNCPUTCSBEU-PULFBKJNSA-N 458.013 4.422 50 10 JIGE O=C(c1cc(Br)cc(Br)c1)N1C[C@H]2C[C@@H](CBr)[C@H]2C1 2330496153 CSRPRZHPCFJMAC-OPQQBVKSSA-N 451.984 4.315 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@H]2CC[C@H]1C[C@H]2Cl 2337151877 UPMCSGXUTGDYAI-UBHAPETDSA-N 454.533 4.286 50 10 JIGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C1[C@@H]2CS(=O)(=O)C[C@@H]12 2365225715 MKWAXTIBYKLRSR-AMXGMDGSSA-N 491.014 4.386 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1CC[C@@H](CBr)C(F)(F)C1 2365593253 SKDLHQNABVJMTH-QMMMGPOBSA-N 478.502 4.437 50 10 JIGE O=C(N[C@@H]1C[C@H](CBr)C12CCC2)c1c(F)cccc1I 2379715110 AYOJMQWRXQPUFL-BXKDBHETSA-N 452.105 4.114 50 10 JIGE COc1ccc2nc(N(/N=C/c3ccco3)C(=O)c3ccc(N4C(=O)CCC4=O)cc3)sc2c1 9629121 GLAJQXWYWNPWOK-AFUMVMLFSA-N 474.498 4.232 50 10 JIGE Cc1cc(C)cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc([N+](=O)[O-])c2)c1 38653999 JOMHGBCFSFPZLI-VWLOTQADSA-N 471.469 4.414 50 10 JIGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(OC)cc4)ccc32)c1 38685014 BJBYQKGRNHJWFM-SANMLTNESA-N 456.498 4.460 50 10 JIGE Cc1c(C(=O)Oc2ccc(F)cc2)oc2c1/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)CCC2 40813101 ROXIBEBPPPBMEA-XIEYBQDHSA-N 451.410 4.325 50 10 JIGE O=S(=O)(NC[C@H](Cl)c1ccccc1)c1cc(Br)ccc1Br 96873062 AUJLQIQMWMGKBO-ZDUSSCGKSA-N 453.583 4.470 50 10 JIGE Cc1ccc(-c2n[nH]cc2/C=C(/C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1 102330549 USYHUSJTMLIARU-ATVHPVEESA-N 490.570 4.188 50 10 JIGE CCOc1ccc(/C=N/NC(=O)c2nn(-c3ccccc3)c3c2CCC3)cc1Br 169927664 PVHYLVZYFYDSQW-ZVHZXABRSA-N 453.340 4.286 50 10 JIGE CCOc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=C(C)/C=C\c2ccccc2)cc1 254309469 PQENEZSSUGKIAE-FSOOMLGPSA-N 470.529 4.482 50 10 JIGE Cc1ccc(CSc2nnc(SCC(=O)NN=Cc3ccc(N(C)C)cc3)s2)cc1 254573830 XQMFNQCFGSZEAM-UHFFFAOYSA-N 457.650 4.447 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N(CCBr)C1CC1 721595600 WGEJASKPYHIBOE-UHFFFAOYSA-N 472.946 4.053 50 10 JIGE Cc1ccc(NCC(=O)NNC(=O)c2c[nH]c3cc(Br)c(Br)cc23)c(C)c1 1087644978 VRPACDZBFRSJOJ-UHFFFAOYSA-N 494.187 4.183 50 10 JIGE C#CCOc1ccc(C(=O)NNc2nc3ccccc3c(=O)n2-c2ccc(C(C)C)cc2)cc1 1543607587 AYENKCWFUKKURP-UHFFFAOYSA-N 452.514 4.278 50 10 JIGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@@H](c2ccc(O)cc2O)C(C#N)=C(N)O3)cc1 1865681349 KZDYKOGIVHXPIC-QFIPXVFZSA-N 452.470 4.177 50 10 JIGE COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2Cl)cc1OC 1865710692 FINYVUKPSHHOKA-NRFANRHFSA-N 452.898 4.078 50 10 JIGE N#C/C(=C(/O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1872747011 KBFPXAFYKZNDGH-FXBPSFAMSA-N 479.474 4.413 50 10 JIGE COc1cc(C(=O)NC/C(O)=C(\C#N)c2nc(-c3ccccc3)cs2)cc(OC)c1OC 1872748009 CYSFLFLNCKFXAT-VLGSPTGOSA-N 451.504 4.059 50 10 JIGE CCCOc1c(OC)cc(/C=N/NC(=O)CCCCCNC(=O)OC(C)(C)C)cc1OC 1873795240 DIGPQZDDEXCGGX-PCLIKHOPSA-N 451.564 4.028 50 10 JIGE O=C(O)C[C@@H](Br)C(=O)c1c(Br)sc(Br)c1Br 1924615939 ITVVILSYVAULHA-UWTATZPHSA-N 499.800 4.457 50 10 JIGE Cc1nc(I)c(I)n1CC[C@@H](C)CCCl 1928099603 ZOQBVSUHSOHGTC-ZETCQYMHSA-N 452.505 4.056 50 10 JIGE C[C@](CBr)(NC(=O)c1cc(I)ccc1Br)C(F)F 2043177493 VGZWPPCFJQBRFO-LLVKDONJSA-N 496.915 4.202 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@@H]2C[C@H](C[C@H]2Cl)C1 2142285018 KJHBHPZEMIHDKJ-VDDIYKPWSA-N 454.533 4.143 50 10 JIGE BrCc1cc(Br)c(OC[C@@H]2OC[C@@H]3CCO[C@H]32)c(Br)c1 2145934248 KHJOBVQQNPKZOI-TVYUQYBPSA-N 470.983 4.289 50 10 JIGE FC(F)(F)c1cnc(N2CC[C@@H]3[C@@H](CBr)[C@@H]3C2)c(I)c1 2149545932 MZJFYQNJFOWHMW-OPRDCNLKSA-N 461.063 4.172 50 10 JIGE C[C@H]1CN(S(=O)(=O)c2cc(CCl)ccc2Br)[C@H](C)CN1Cc1ccccc1 2152184898 QANLAXNFVHUROG-JKSUJKDBSA-N 471.848 4.471 50 10 JIGE C[C@H](CCCCCI)NS(=O)(=O)c1ccc(F)cc1Br 2174523883 OOXMANMJJFPXEK-SNVBAGLBSA-N 478.165 4.250 50 10 JIGE O=C(NC[C@]1(F)CC[C@@H](CBr)CC1)c1ccc(I)cc1 2178589532 USNHVKJPHZHWKC-WGRBQBNCSA-N 454.121 4.314 50 10 JIGE C[C@H]1C[C@H](N(C)S(=O)(=O)Cc2cccc(CBr)c2)CN1Cc1ccccc1 2179786216 XFDFEPVQIXVUBY-UWJYYQICSA-N 451.430 4.006 50 10 JIGE CC[C@@H]1CN(S(=O)(=O)c2cc(CBr)ccc2C)CCN1Cc1ccccc1 2179788377 BPHUTWXAWWUQGD-HXUWFJFHSA-N 451.430 4.175 50 10 JIGE CC1(C)CCCN(C(=O)c2ccc(I)c(O)c2)[C@@H]1CBr 2185805180 CUPHZHDRXWDQHD-CYBMUJFWSA-N 452.130 4.023 50 10 JIGE CN(C[C@H]1C[C@H](Br)C1)C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCC(F)(F)CC1 2196914354 MRXOZMSSVBYNBZ-QEJZJMRPSA-N 453.368 4.337 50 10 JIGE CN(C[C@H]1C[C@@H]1Br)S(=O)(=O)c1cc(Cl)cc(CBr)c1Cl 2196936587 SIVSQXRZJUBLAN-SCZZXKLOSA-N 466.022 4.292 50 10 JIGE COCCN(C[C@H](C)Br)C(=O)c1ccc(Br)cc1Br 2272439635 RUYMVLRZLQEZHE-VIFPVBQESA-N 457.988 4.084 50 10 JIGE C=CC[C@H](Br)[C@@H]1CCN1C(=O)c1cc(Cl)ccc1I 2335816331 CIWBJYNRKSNALH-AAEUAGOBSA-N 454.533 4.499 50 10 JIGE COC1(CBr)CCN(Cc2ccc(Cl)c(I)c2)CC1 2337224485 ZPCUJPWCFKNBMS-UHFFFAOYSA-N 458.565 4.321 50 10 JIGE NNC(=O)CCCCCCSc1cc(I)ccc1Br 2338334607 VWNCHXQPWRLPBQ-UHFFFAOYSA-N 457.175 4.086 50 10 JIGE C/C(N)=C(/C#N)C(=O)COC(=O)c1cc(-c2ccccc2)nc2ccc(Br)cc12 9510248 QEDQUUKYOIARRJ-QGOAFFKASA-N 450.292 4.146 50 10 JIGE CC[C@H](C)c1ccccc1O[C@H](C)C(=O)NNC(=O)COc1ccc(Br)c(C)c1 9873091 CIPZIFZGJKJRPS-GOEBONIOSA-N 463.372 4.265 50 10 JIGE CCC(C)(C)c1ccc(OCC(=O)NNC(=O)COc2ccc(Br)cc2Cl)cc1 14784138 YZBGZMMTFFXFHO-UHFFFAOYSA-N 483.790 4.395 50 10 JIGE O=C(CCC(=O)NNc1nc2ccccc2c2nc(-c3ccccc3)nn12)NCc1ccccc1Cl 20286981 AWSNTPZPPGNIJE-UHFFFAOYSA-N 499.962 4.138 50 10 JIGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(C)n(-c3ccc(NC(C)=O)cc3)c2C)cc1 58893418 SVESONXTEJNUES-GPMZVODXSA-N 476.577 4.415 50 10 JIGE C#CCOc1c(Cl)cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1Br 58893849 CLXALPWSIQUEHI-FQOPDIHJSA-N 493.785 4.477 50 10 JIGE Cc1cc(NC(=O)N/N=C/c2cc(Br)c(N3CCOCC3)o2)ccc1Br 59250192 LJWTVKFDNBVRBG-KEBDBYFISA-N 486.164 4.105 50 10 JIGE CN(C)C(=O)/C(C#N)=C/c1cc(Cl)c(OCc2ccc3c(c2)OCO3)c(Br)c1 59334023 UTKNIXZGLPVLKW-LHHJGKSTSA-N 463.715 4.405 50 10 JIGE COc1ccc(/C=C\C=NNC(=O)/C(=C\c2cc(OC)ccc2OC)NC(=O)c2ccccc2)cc1 254386098 RRQPPYWJGWTBGC-ULOITQHGSA-N 485.540 4.299 50 10 JIGE CCn1c(Sc2ccc(C=NNC(=O)c3ccncc3)cc2[N+](=O)[O-])nnc1-c1ccccc1 254678823 UGCIHEGHFAVTDB-UHFFFAOYSA-N 473.518 4.183 50 10 JIGE Cc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3cccc4ccccc34)cc2)cc1 254789703 YVRQXYNMUYEVLG-UHFFFAOYSA-N 451.482 4.456 50 10 JIGE O=C(Cc1c[nH]c2ccccc12)NNC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12 727722109 CRAOHTYQDADNGE-UHFFFAOYSA-N 469.476 4.391 50 10 JIGE O=C(O)c1ccc(COc2ccccc2C=NNC(=O)c2cccc(Br)c2)cc1 1083985394 PRBAHWGNOCVETC-UHFFFAOYSA-N 453.292 4.490 50 10 JIGE CCOc1ccc(C(C)=NNC(=O)CN(c2cc(C)ccc2OC)S(=O)(=O)c2ccccc2)cc1 1084414964 OGQUJOXCVACBEJ-UHFFFAOYSA-N 495.601 4.138 50 10 JIGE Cc1ccc(-c2nnc(CCC(=O)NNC(=O)CCCOc3ccc(Cl)cc3Cl)o2)cc1 1087985724 RNCNVCQDLYJAIF-UHFFFAOYSA-N 477.348 4.291 50 10 JIGE CC(C)(C)OC(=O)NCc1ccccc1NS(=O)(=O)c1ccc(CBr)cc1 1260508095 CONQOOWOEAENDN-UHFFFAOYSA-N 455.374 4.407 50 10 JIGE CC(=O)N(CCC(=O)NNc1ccc(Br)cc1C(F)(F)F)Cc1ccccc1 1464838608 WQQSRDFIPRJOPF-UHFFFAOYSA-N 458.278 4.350 50 10 JIGE COc1ccc(-c2ccc(C=NNC(=O)c3cc(Br)ccc3OC)o2)c([N+](=O)[O-])c1 1565518053 JFSARBYBLJGFTH-UHFFFAOYSA-N 474.267 4.398 50 10 JIGE N#CSc1ccc(NC(=O)[C@@H](NC(=O)Cc2ccc(N3CCOCC3)cc2)c2ccccc2)cc1 1866905887 VHTIDGUJMSTLIM-SANMLTNESA-N 486.597 4.135 50 10 JIGE CC(C)(C)OC(=O)N[C@H](CBr)[C@@H]1C[C@H]2CC[C@@H]([C@@H]1F)N2C(=O)OC(C)(C)C 1883028260 HRXZEXCUHWYKBI-QKGCVVFFSA-N 451.377 4.401 50 10 JIGE Cc1c(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc(B(O)O)c(C)c1C#C[Si](C)(C)C 1887521083 OVJLIJKQZJEZBN-UHFFFAOYSA-N 497.476 4.251 50 10 JIGE CN(C[C@@H](Br)COCc1ccccc1)S(=O)(=O)c1sccc1Br 1916353908 HGDACOQDNNYPJF-CYBMUJFWSA-N 483.247 4.111 50 10 JIGE O=C(N[C@@H](CCCl)C(F)F)c1cc(Br)ccc1I 1918583044 HGVNQVMSJMERKP-VIFPVBQESA-N 452.464 4.046 50 10 JIGE C[C@H](CCCCCI)NS(=O)(=O)C1CC(OCc2ccccc2)C1 2006096348 DBASIXRPQGFVIC-FAEJEUNOSA-N 465.397 4.038 50 10 JIGE CC(C)(C)OC(=O)N1CC(N(OCc2ccccc2)S(=O)(=O)c2ccc(CCl)cc2)C1 2007000126 SFVXLGVHRJAQCJ-UHFFFAOYSA-N 466.987 4.167 50 10 JIGE O=C(CCl)c1cc(I)cc(OC(F)(F)F)c1I 2060036875 QWAGNRBVIXMZHF-UHFFFAOYSA-N 490.384 4.216 50 10 JIGE Cc1c(Br)ccc([C@H](Br)[C@@H]2CCS(=O)(=O)C2)c1Br 2083336967 GHJXYHBDIWFNSK-PRHODGIISA-N 461.013 4.391 50 10 JIGE O=C(c1cccc(Br)c1Br)N1C[C@H](C2CC2)[C@@H](Br)C1 2092336535 YUVVYJTVQZUZMD-PWSUYJOCSA-N 451.984 4.457 50 10 JIGE C[C@@]1(NS(=O)(=O)c2ccc(CBr)cc2)CCCN(C(=O)OCc2ccccc2)C1 2106295668 KAABGFDCWWLRBD-OAQYLSRUSA-N 481.412 4.051 50 10 JIGE CC[C@@]1(CBr)COCCN1C(=O)c1cc(Br)c(Br)s1 2112709303 XXZCJCJQQFHCTP-GFCCVEGCSA-N 476.028 4.289 50 10 JIGE C[C@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)c1cnn(CCBr)c1 2123229682 LNLLRKZTTMHYHL-OAHLLOKOSA-N 454.415 4.292 50 10 JIGE CC[C@@H](C)[C@@H](CI)NS(=O)(=O)c1ccc(Br)cc1Cl 2136492387 MAILDDIYSVURLV-LDYMZIIASA-N 480.593 4.231 50 10 JIGE CC(C)S[C@H]1CCN(S(=O)(=O)c2cc(CBr)sc2Br)C1 2179776270 SHYKCMPAOWOCQZ-VIFPVBQESA-N 463.282 4.310 50 10 JIGE Cn1nc(Br)c([C@H](Br)c2c(F)cc(F)c(Br)c2F)n1 2227806580 ITEHMNKDBBYDSC-SSDOTTSWSA-N 463.877 4.242 50 10 JIGE O=C(NC[C@H]1CC[C@@H](CBr)CO1)c1cccc(Br)c1Br 2279404504 ZERFQUUXEMSOTN-VHSXEESVSA-N 469.999 4.132 50 10 JIGE CCCOc1ccc([C@H](CC(=O)O)NC(=O)C(C#N)=Cc2cccc(Br)c2)cc1OC 2329692570 XWUBWFAYZFPCLX-IBGZPJMESA-N 487.350 4.486 50 10 JIGE COC(=O)c1ccccc1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccccc3OC)cs2)CC1=O 2331281895 FGBLSVBIZWPBPV-HNNXBMFYSA-N 475.526 4.451 50 10 JIGE CC(C)(C)OC(=O)NCC[C@H]1CCN(C(=O)[C@H]2C[C@H](Br)C2)[C@H](C(F)(F)F)C1 2362898999 YZFLAWMXSMDDQN-XUXIUFHCSA-N 457.331 4.244 50 10 JIGE C[C@@H](Oc1ccc(Cl)cc1)C(=O)N/N=C/c1cc(Br)cc(Br)c1O 2839101 DUFAUOMHAPCLPW-GCYXGZDWSA-N 476.552 4.488 50 10 JIGE CCOc1ccc(/C=C/C(=O)NC(=S)NNC(=O)c2ccccc2OCc2ccccc2)cc1 13621193 SFDZYSAKHNYWQO-SAPNQHFASA-N 475.570 4.013 50 10 JIGE CC(C)c1ccc(O[C@H](C)C(=O)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)cc1 14040244 NDQVZZYDUGIISK-CQSZACIVSA-N 466.365 4.450 50 10 JIGE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OC)c2OC)cc1 38659022 FFHUBNNFKBTVQB-VWLOTQADSA-N 472.497 4.079 50 10 JIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccccc4)ccc32)cc(OC)c1OC 38660649 UYBUYZXWGHHYPV-VWLOTQADSA-N 472.497 4.079 50 10 JIGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2)oc2c1/C(=N/NC(=S)Nc1ccccc1)CCC2 40825279 VVXHBTHAQLSMQV-OVVQPSECSA-N 495.992 4.343 50 10 JIGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C(C#N)=C/c2ccc(OCC)c(OC)c2)cc1 40977755 WSLQXLONMBOZPF-NNFYUIBOSA-N 473.529 4.430 50 10 JIGE CCOc1ccc(C=NNC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)cc1OCC 254438900 HHXKUACMWIKPHU-UHFFFAOYSA-N 476.558 4.073 50 10 JIGE C[C@@H]1CN(S(=O)(=O)c2cc(CCl)oc2Br)[C@H](C)[C@@H](C)N1Cc1ccccc1 404272745 JOKGSJBJWLRDKO-RBSFLKMASA-N 475.836 4.453 50 10 JIGE C[C@H](COCc1ccccc1)CC(CBr)(CBr)[C@@H]1CCS(=O)(=O)C1 719435631 BTHYFBHPPHQNBP-DOTOQJQBSA-N 482.278 4.440 50 10 JIGE N#CCCn1cc(/C=C(\C#N)C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)c(-c2ccccc2)n1 914466449 CNBQBDVGVCGJEQ-XIEYBQDHSA-N 492.583 4.313 50 10 JIGE C[C@H](NC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1)c1ccc2c(c1)CCC(=O)N2 918595946 IBJZVVMZXVBLOD-CEZZIEKDSA-N 464.529 4.133 50 10 JIGE Cc1ccc(N(CC(=O)NN=Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c(C)c1 1084585191 JAQVCLOGWSBOCE-UHFFFAOYSA-N 455.967 4.302 50 10 JIGE COc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(F)cc2)CCC3)c(OC)c1 1772744765 JFHNGZRUZYTQQH-UHFFFAOYSA-N 465.481 4.467 50 10 JIGE CCOc1cc(C=NNC(=O)COc2cc(C)c(Cl)c(C)c2Br)ccc1O 1772756560 WHBFKZZVISBUFQ-UHFFFAOYSA-N 455.736 4.353 50 10 JIGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@H](c2cccn2C)C(C#N)=C(N)O3)cc1 1865699089 KJOFPXNYSJWSFM-QHCPKHFHSA-N 451.530 4.472 50 10 JIGE BrCc1c(Br)cccc1N1C[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1 2036446951 ZXSXSGUSGQSFMQ-PMACEKPBSA-N 466.217 4.434 50 10 JIGE O=C(CCl)c1cc(I)cc(I)c1C(F)F 2060380968 WIJHZJDGKFZTIQ-UHFFFAOYSA-N 456.395 4.255 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CN(C(=O)OC(C)(C)C)[C@]2(CCCOC2)C1 2061262901 WDEPBAXUNLNEGJ-VGOFRKELSA-N 491.720 4.041 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(O[C@H]2CCOC3(CCC3)C2)C1 2076742602 YTCNSPKQNFVAJM-KXBFYZLASA-N 465.372 4.309 50 10 JIGE Cc1cc(S(=O)(=O)N2CCN(Cc3ccccc3)C[C@H](C)C2)ccc1CBr 2179785538 NXUFMUFTPLZIHO-KRWDZBQOSA-N 451.430 4.033 50 10 JIGE CC(C)[C@H]1CN(S(=O)(=O)c2cc(CBr)sc2Br)CCS1 2179787950 VYRRCTJAHQRCRB-SNVBAGLBSA-N 463.282 4.168 50 10 JIGE O=S(=O)(c1ccsc1CBr)N1[C@H]2CCC[C@@H]1CN(Cc1ccccc1)C2 2226319559 AMUHIDXQECNALD-CALCHBBNSA-N 455.443 4.071 50 10 JIGE Cn1ncc(Br)c1[C@@H](Br)c1ccc2c(c1Br)CCO2 2229753394 NHMARNBUCANXCO-LBPRGKRZSA-N 450.956 4.364 50 10 JIGE Cc1cc(Br)cnc1C(=O)N(C)C[C@H](Br)COCc1ccccc1 2248980637 GVLJINCBBLCPKU-INIZCTEOSA-N 456.178 4.205 50 10 JIGE COc1ccc([C@H](Br)c2c(Br)cnn2C)cc1I 2257366711 DXYLPIHRKNNWEM-NSHDSACASA-N 485.945 4.280 50 10 JIGE CCN(CC)S(=O)(=O)C[C@H](Br)c1cc(Br)c(F)cc1Cl 2285952463 KVWPWUKZARWFOI-JTQLQIEISA-N 451.583 4.349 50 10 JIGE O=C(NN=CC(Br)=Cc1ccccc1)c1cccc(I)c1 2297017779 XEXVNCFDMYIJQN-UHFFFAOYSA-N 455.093 4.443 50 10 JIGE O=C(N[C@H]1C[C@@H](CBr)[C@H]2C[C@H]12)c1cc(Br)sc1Br 2309231104 XRPBXKPBHAJKON-XQXXSGGOSA-N 458.013 4.422 50 10 JIGE Cc1cc(I)ccc1NC(=O)C(C#N)=CNc1cc(Cl)ccc1O 2325406169 LAEZVBBTODDYSA-UHFFFAOYSA-N 453.667 4.417 50 10 JIGE CC(C)Oc1cccc(C=NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1 2325903151 AOTGXELYIYESOF-CVEARBPZSA-N 452.580 4.081 50 10 JIGE CC[C@@H](Br)[C@@H]1CCCCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364207244 ZQNNPPIPRLTAAM-UXHICEINSA-N 499.471 4.201 50 10 JIGE BrC[C@]12CCCC[C@@H]1N(Cc1ncc(I)cn1)CCC2 2381293289 MNIXJJPAXGWXRY-DZGCQCFKSA-N 450.162 4.001 50 10 JIGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)c1 38700986 QWZJRPWWZAXRCO-UIOOFZCWSA-N 484.508 4.439 50 10 JIGE COc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C(\C#N)C(=O)Nc1ccc(F)cc1 39993089 HVYLGZQDWCCRLN-JQIJEIRASA-N 456.433 4.180 50 10 JIGE O=C(NNc1ncnc(Nc2ccc(OC(F)(F)F)cc2)c1[N+](=O)[O-])c1ccccc1Cl 40658312 NYSDOHZOLQNFGG-UHFFFAOYSA-N 468.779 4.437 50 10 JIGE Cc1c(C(=O)Nc2cccc([N+](=O)[O-])c2)oc2c1/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 40812234 RHNRSGRAQKJYTD-XIEYBQDHSA-N 477.433 4.127 50 10 JIGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(Br)cc2)cc1 40977981 SKHHXULXBDDABM-GHRIWEEISA-N 457.324 4.257 50 10 JIGE O=C(Cc1cccc2ccccc12)N/N=C1/C(=O)N(Cc2cccc([N+](=O)[O-])c2)c2ccccc21 59160085 KZRICHSBNINNKG-PBBVDAKRSA-N 464.481 4.358 50 10 JIGE CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)C1=O 101341258 KFRMJMQBWNTMAX-BUVRLJJBSA-N 498.514 4.224 50 10 JIGE FC(F)c1c(I)ncc(I)c1CBr 238596291 PMZNIHIHDDGLTB-UHFFFAOYSA-N 473.824 4.123 50 10 JIGE CC(=NNC(=O)c1nn(C)c(C)c1Br)c1cccc(NC(=O)c2ccc(F)cc2)c1 252593098 BJKBVQDMNKXXDW-UHFFFAOYSA-N 472.318 4.036 50 10 JIGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)NN=Cc1ccccc1OC 252607663 HDPXICRXEIIDHW-UHFFFAOYSA-N 486.601 4.480 50 10 JIGE COc1cccc(C=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)c1 254773547 CXIHFXDNEOAKRD-UHFFFAOYSA-N 457.559 4.494 50 10 JIGE C[C@@](CBr)(NC(=O)c1sccc1I)c1ccccc1 311454907 UCOGNUQSPFGVIG-AWEZNQCLSA-N 450.139 4.393 50 10 JIGE C[C@H]1[C@H](CBr)CCN1S(=O)(=O)c1cc(Br)ccc1Br 385726726 SWSCYSRRNGPXEX-IUCAKERBSA-N 476.028 4.006 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2C[C@@H](Br)C(C)(C)C2)cc1Br 387805050 QROXJKYWZMUNOL-GFCCVEGCSA-N 490.055 4.314 50 10 JIGE C[C@H](OC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1)C(=O)N[C@@H](C)c1ccc(F)cc1 761409166 CWSZHNZUDVGQFR-MGIMQLBCSA-N 485.519 4.319 50 10 JIGE C[C@@H]1CN(C(C)(C)CNC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)C[C@@H](C)O1 843987297 COYNVHCTCRFSFT-IYUKSVJOSA-N 495.027 4.028 50 10 JIGE CC(=O)c1ccc(S(=O)(=O)NC(=O)/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)cc1 916762065 ZBZVHEWDIWNDFC-STZFKDTASA-N 453.564 4.225 50 10 JIGE Cn1ccnc1Sc1ccc(C=NNC(=O)c2cccc(Br)c2)cc1[N+](=O)[O-] 1084322304 LQZOKHZTCPICSO-UHFFFAOYSA-N 460.313 4.006 50 10 JIGE C=CCC[C@H](NC(=O)NNC(=O)c1ccc(OC)c(OC)c1)c1ccc(C(F)(F)F)cc1 1685817867 ZEJSFASFFJQFKB-KRWDZBQOSA-N 451.445 4.374 50 10 JIGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@@H](c2cccn2C)C(C#N)=C(N)O3)cc1 1865698824 DFBPTJRISRTAOB-JOCHJYFZSA-N 453.502 4.113 50 10 JIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc(Cl)c2)cc(OC)c1O 1865715139 XAQVTZXBVIOOKU-MRXNPFEDSA-N 492.841 4.485 50 10 JIGE Cc1nc(-c2ccc(Cl)cc2)ccc1C(=O)NNC(=O)Cc1ccc(Br)cc1 1865755476 AIMQQGCKNJSEOC-UHFFFAOYSA-N 458.743 4.477 50 10 JIGE O=C(NC1CC([C@@H](F)CCl)C1)c1cc(I)ccc1Br 1906549777 VLNNOAXWVJRMOH-FMDDCXKFSA-N 460.512 4.139 50 10 JIGE CC(C)(C)OC(=O)NC[C@@H]1CC[S@](=O)(=NC[C@H](Br)C(F)(F)F)C1(C)C 2044706753 WTWYHJJUZSIOPG-MSMXYLSWSA-N 451.349 4.103 50 10 JIGE CC[C@@H](Br)CN(C)S(=O)(=O)c1cc(Br)c(C)cc1Br 2106616432 UWZLYUJDBSAOCI-SECBINFHSA-N 478.044 4.314 50 10 JIGE C[C@@]12CN(C(=O)c3c(Br)cccc3Br)C[C@]1(CBr)C2 2109181495 GSFRCYGWURFNNW-ZIAGYGMSSA-N 451.984 4.459 50 10 JIGE CCC[C@H](CBr)CNS(=O)(=O)c1cc(Br)ccc1Br 2120738621 ASMVPJXQCDYRKU-SECBINFHSA-N 478.044 4.301 50 10 JIGE O=S(=O)(c1cc(CCl)sc1Br)N1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 2131199160 WHVPAQSCTNXNSY-GJZGRUSLSA-N 475.861 4.144 50 10 JIGE CSCC[C@H](Br)CCNS(=O)(=O)c1c(Cl)cccc1Br 2146553328 BHXKKGIGYPUQFM-SECBINFHSA-N 465.660 4.288 50 10 JIGE FC(F)(F)c1cnc(N2C[C@@H]3[C@H](CBr)C[C@H]3C2)c(I)c1 2174306146 DCQHSRBXHJJGGI-OYNCUSHFSA-N 461.063 4.172 50 10 JIGE CSCC1CCN(S(=O)(=O)c2cc(CBr)sc2Br)CC1 2179793245 RDVPSVKPVHYHCF-UHFFFAOYSA-N 463.282 4.169 50 10 JIGE CCc1ccc(S(=O)(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)cc1CBr 2179859573 GIZVKVPYADYOHP-FQEVSTJZSA-N 451.430 4.039 50 10 JIGE O=C(c1cc(Br)c(Br)s1)N1CCO[C@@H]2C[C@@H](CBr)C[C@@H]21 2199763933 ZETXBCYHRSQONE-UJNFCWOMSA-N 488.039 4.288 50 10 JIGE O=C(c1cc(Br)ccc1I)N1[C@H]2CC[C@H](Cl)[C@H]1CC2 2229875367 ITXRRMGKAKUJMO-XHVZSJERSA-N 454.533 4.428 50 10 JIGE CN1CCN(c2ccc(NC=C(C#N)C(=O)NC(c3ccccc3)c3ccccc3)cc2)CC1 2324825770 IRGVTZWULFONRJ-UHFFFAOYSA-N 451.574 4.164 50 10 JIGE CC(C)(CI)CN1CCC(c2n[nH]cc2NC(=O)OC(C)(C)C)CC1 2326674196 ZLPSJWJEGZSGBG-UHFFFAOYSA-N 462.376 4.397 50 10 JIGE C[C@H]1CCN(C(=O)c2ccc(Cl)cc2I)C[C@H]1CBr 2340061574 PBOPXLBAAPFDJS-VHSXEESVSA-N 456.549 4.438 50 10 JIGE CCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 14655044 VRHQHWKTYQSRMD-UHFFFAOYSA-N 482.334 4.175 50 10 JIGE CCCOc1ccccc1C(=O)NNC(=O)COc1ccc(Br)cc1C(C)(C)C 14668277 SYEULNDTCNJTOG-UHFFFAOYSA-N 463.372 4.375 50 10 JIGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 38654106 BDFOJMQDMQAHGT-RUZDIDTESA-N 471.469 4.360 50 10 JIGE Cc1c(C(=O)NNC(=O)c2ccccc2Br)oc2c1C1(CCC2)SCCS1 39851995 FUQSJCFMFGJRDJ-UHFFFAOYSA-N 467.410 4.394 50 10 JIGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(NCc2ccccc2Cl)c1[N+](=O)[O-] 40659565 MYIAIBKNBXDCAT-UHFFFAOYSA-N 497.726 4.479 50 10 JIGE COc1cc(C(=O)N/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc(OC)c1OC 59152567 IFCHLYWBHLSCBF-ZMOGYAJESA-N 496.432 4.085 50 10 JIGE C=CCOc1ccc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1I 59333002 CHMZNISXPVLIAN-XDJHFCHBSA-N 499.352 4.112 50 10 JIGE CCN(CC)Cc1ccc(C(=O)NNC(=O)c2ccccc2-c2ccc(Cn3cccn3)cc2)o1 109007431 FEEPWQZTESEFPO-UHFFFAOYSA-N 471.561 4.108 50 10 JIGE COc1ccc([C@@H](C)NC(=O)/C(C#N)=C\Nc2ccc(I)cc2)cc1OC 217174618 XRLUJJITZYZSGD-DKXRRRNBSA-N 477.302 4.005 50 10 JIGE O=C(CCCCCCCCC(=O)NN=Cc1ccc([N+](=O)[O-])cc1)NN=Cc1ccc([N+](=O)[O-])cc1 245284168 QGEOHLJLKNGUAG-UHFFFAOYSA-N 496.524 4.224 50 10 JIGE CC(=NNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C)cc1)c1ccc(O)cc1 254825406 ZEDMIRQMQZMWDZ-UHFFFAOYSA-N 458.543 4.032 50 10 JIGE COc1ccc(Br)cc1C=NNC(=O)CSc1nnc(-c2ccccc2)s1 256028473 ORPDCYCSORTTGH-UHFFFAOYSA-N 463.382 4.219 50 10 JIGE CCN(C[C@@H](C)Br)C(=O)c1cc(Br)ccc1I 691352251 VYGTWRWFSVFZOT-MRVPVSSYSA-N 474.962 4.299 50 10 JIGE C[C@@H](Br)c1ccccc1NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703967190 NIWNIBGLYZGAAO-CQSZACIVSA-N 479.396 4.207 50 10 JIGE CC(C)[C@@H]1CN(S(=O)(=O)c2ccc(CBr)cc2)CCN1Cc1ccccc1 704741343 VGJQTFCRQUIOII-NRFANRHFSA-N 451.430 4.113 50 10 JIGE CC(C)[C@@H](CBr)NC(=O)c1ccc(I)c(Br)c1 721592169 FRAQWFUPVFZAGI-LLVKDONJSA-N 474.962 4.203 50 10 JIGE CC(C)(C)c1csc(CCNC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)n1 729439352 HGIPIJUIHWFDBL-XMHGGMMESA-N 458.591 4.484 50 10 JIGE C#Cc1cccc(NC(=O)CN(C)C(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(F)cc3)c2C)c1 1125255063 OZOOOGZZXKLIDR-JCMHNJIXSA-N 454.505 4.219 50 10 JIGE COc1ccc(OC)c(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2O)CCC3)c1 1772751583 GHOAPGNGNHCHRX-UHFFFAOYSA-N 463.490 4.034 50 10 JIGE C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)N/N=C/c4ccccc4C(F)(F)F)c(=O)c23)C1 1860773578 AVIWDCXAHYSZEE-XHWIGMFLSA-N 462.497 4.313 50 10 JIGE COc1cc(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(F)c2)c1O 1865696346 MCVHKMMWRNJCKX-LJQANCHMSA-N 485.313 4.074 50 10 JIGE N#CSc1ccc(NC(=O)[C@@H](NC(=O)c2cc(-c3cccnc3)[nH]n2)c2ccccc2)cc1 1867160510 WGOVKNJOHCGDHD-QFIPXVFZSA-N 454.515 4.155 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]2CC[C@@H]12 1985351676 IYNHOHMBRAVFTN-GVDBMIGSSA-N 461.694 4.270 50 10 JIGE CC[C@H]1CN(S(=O)(=O)c2cc(CCl)oc2Br)CCN1Cc1ccccc1 2095819923 MVBSBWXZHYZBGW-HNNXBMFYSA-N 461.809 4.066 50 10 JIGE CN([C@H]1CC[C@H]1OCc1ccccc1)S(=O)(=O)c1cc(CBr)n(C2CC2)c1 2179858106 JXVLNHQSQVXIDE-VQTJNVASSA-N 453.402 4.086 50 10 JIGE Cn1c(=O)n(C)c2cc([C@H](Br)C3CC(Br)C3)c(Br)cc21 2196891519 STGLMZYOVHXOKS-KTRLOWJHSA-N 466.999 4.249 50 10 JIGE C[C@H](Br)CN1CCCN(Cc2ccc(I)c(Cl)c2)CC1 2208029856 NRFIRMVOLRSGDZ-LBPRGKRZSA-N 471.608 4.236 50 10 JIGE O=S1(=O)CC[C@@H]([C@@H](Br)c2cc(Br)c(Br)cc2F)C1 2218596631 HEENKXAEJURAFS-KSBSHMNSSA-N 464.976 4.221 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1[C@H]2CC[C@@H](Br)[C@H]1CC2 2229866374 UURDCLIWTOLNPR-UFGOTCBOSA-N 454.533 4.475 50 10 JIGE Cc1ccc(I)c(C(=O)N[C@H]([C@@H](C)Br)C(F)(F)F)c1 2232167766 VSMGAKNTENDHNA-GMSGAONNSA-N 450.036 4.044 50 10 JIGE O=C(c1c(F)cccc1I)N1C[C@@H]2CCC[C@]2(CBr)C1 2282793000 VZHGWKBLRIUWFP-BONVTDFDSA-N 452.105 4.068 50 10 JIGE COc1ccc(C)cc1-c1csc(C(C#N)=C(O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)n1 2331322878 BPITZJLKRYAPMM-UHFFFAOYSA-N 495.557 4.376 50 10 JIGE C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2349645452 JVINTFMISPBCEH-OALUTQOASA-N 497.727 4.094 50 10 JIGE O=C(c1cccc(I)c1)N1CC[C@@H](Br)C[C@H]1C(F)(F)F 2361454914 LJPHIMIOEZFTQZ-KOLCDFICSA-N 462.047 4.222 50 10 JIGE O=C(COc1ccc2cc(Br)ccc2c1Br)N/N=C/c1ccco1 12491232 IBYVDLTWOVKJEE-AWQFTUOYSA-N 452.102 4.487 50 10 JIGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)c(Br)c1 12500718 GXRFXHORNMYCAG-UHFFFAOYSA-N 498.402 4.139 50 10 JIGE COc1ccccc1/C(C#N)=C\c1cccc(OC(=O)CCN2C(=O)c3ccccc3C2=O)c1 31902730 GZCUPAQGEJYLMQ-CYVLTUHYSA-N 452.466 4.351 50 10 JIGE O=C(NNc1ncnc(Nc2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-])c1ccc(Cl)c([N+](=O)[O-])c1 40658673 NXLZUNWETDMFGY-UHFFFAOYSA-N 497.777 4.466 50 10 JIGE O=S(=O)(NC[C@@H]1CCC[C@H](Br)C1)c1cc(Cl)c(Br)s1 227806207 VNGKOSOKIMHNPN-SFYZADRCSA-N 451.633 4.396 50 10 JIGE CCC(CBr)(CBr)NS(=O)(=O)c1ccc(Br)cc1Cl 232874329 GBFMAVKYULYPIP-UHFFFAOYSA-N 498.462 4.319 50 10 JIGE CC1(C)C[C@@H](Br)C[C@H](NC(=O)c2cc(I)ccc2O)C1 693891463 ISWHYRSEGMMKSM-ONGXEEELSA-N 452.130 4.069 50 10 JIGE CC[C@@H](Br)[C@H](C)NC(=O)c1ccc(I)c(Br)c1 721595747 YBULTZKFXYPWNI-IONNQARKSA-N 474.962 4.346 50 10 JIGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccc(O)cc2O)cc1 1865681040 CWOBHRLOBIXNRC-JOCHJYFZSA-N 452.470 4.177 50 10 JIGE COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Br)cc2)cc1OC 1865711015 OAHWSEKXOODQDH-OAQYLSRUSA-N 497.349 4.187 50 10 JIGE CSCC[C@H](NC(=O)c1cc(-c2ccccc2)on1)C(=O)Nc1ccc(SC#N)cc1 1866823895 JPKPAVMKGZUDCI-SFHVURJKSA-N 452.561 4.405 50 10 JIGE CC[C@@](C)(NC(=O)c1cc(-c2cc(F)ccc2OC)n(C)n1)C(=O)Nc1ccc(SC#N)cc1 1867106288 UQYFQHSBUZBXJW-XMMPIXPASA-N 481.553 4.345 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CCCN(C(=O)OCc2ccccc2)C1 1885646818 UCKYAOUYDURHCC-IBGZPJMESA-N 469.673 4.283 50 10 JIGE CN(C[C@@H](Br)COCc1ccccc1)c1ccc(I)cn1 1916340786 ARWXTLGEYWGNGH-CQSZACIVSA-N 461.141 4.103 50 10 JIGE O=C(NCCCCI)c1c(Br)cccc1Br 1937823719 SIHUSGRZGVLCGX-UHFFFAOYSA-N 460.935 4.157 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CCC=C[C@H]1CBr 2061971521 FSEYZYPPKLDRHD-JTQLQIEISA-N 484.957 4.219 50 10 JIGE CC(C)(C)OC(=O)N1CCC(CI)(OC[C@@H]2C[C@@]23CCCOC3)CC1 2077653946 MBCZBFYAXVNMHN-MAUKXSAKSA-N 465.372 4.024 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CC[C@@H]2[C@H](CCl)[C@H]2C1 2093140191 KWXFLNGMCOPPAN-USWWRNFRSA-N 454.533 4.001 50 10 JIGE BrC[C@@H]1CN(c2ncc(Br)cc2Br)CC2(CCC2)O1 2109478810 NMWAXHWACFSJFF-SNVBAGLBSA-N 454.988 4.129 50 10 JIGE C[C@H]1CN(Cc2ccccc2)C[C@@H](C)CN1S(=O)(=O)c1csc(CBr)c1 2123236959 LHLXUVDRCMSAQJ-CVEARBPZSA-N 457.459 4.174 50 10 JIGE O=C(c1cc(Br)cc(Br)c1)N1C[C@H]2C[C@@H](Br)C[C@H]2C1 2128629700 BLDFQJLOOLGFQS-JGPRNRPPSA-N 451.984 4.457 50 10 JIGE FC(F)(F)c1cnc(N2C[C@H](CBr)C3(CC3)C2)c(I)c1 2144087597 GAPDTEZKOAATGZ-VIFPVBQESA-N 461.063 4.316 50 10 JIGE CC[C@H]1CN(S(=O)(=O)c2ccc(CCl)c(Br)c2)CCN1Cc1ccccc1 2152173449 OOOOEDMYOKQHJV-SFHVURJKSA-N 471.848 4.473 50 10 JIGE O=C(c1ccccc1I)N1CC[C@](CBr)(C(F)(F)F)C1 2167681619 VZGUJCYBLCDGNJ-GFCCVEGCSA-N 462.047 4.081 50 10 JIGE CN1CCC(N(Cc2ccccc2)S(=O)(=O)c2cc(F)ccc2CBr)CC1 2179786225 XHICFHVBWIDZBD-UHFFFAOYSA-N 455.393 4.006 50 10 JIGE CN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)Cc1ccc(CBr)cc1 2179789290 OSJAFPQDYGOYBW-UHFFFAOYSA-N 451.430 4.008 50 10 JIGE O=S(=O)(c1ccc(CBr)s1)N1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 2179823600 LLADVMPKXKWMAV-HKUYNNGSSA-N 469.470 4.318 50 10 JIGE Cc1cc(S(=O)(=O)N2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)sc1CBr 2179825133 DELWDWGLUZLPLV-HXUWFJFHSA-N 469.470 4.238 50 10 JIGE CN([C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)S(=O)(=O)[C@H]1CC[C@H](CBr)C1 2179828753 TZUYKYGYAUWBRA-AFDCHOCNSA-N 455.462 4.007 50 10 JIGE COCC(C)(C)N(Cc1ccccc1)S(=O)(=O)c1ccc(F)c(CBr)c1F 2179860994 AHHQWGYQQKHKSR-UHFFFAOYSA-N 462.356 4.476 50 10 JIGE ClCc1nc2cncc(Br)c2n1C[C@@H]1CC1(Br)Br 2217997064 MPEHPWXYXTTYJG-LURJTMIESA-N 458.379 4.439 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CC(CCCBr)C1 2222861554 ZRTBBBITFFBPKK-UHFFFAOYSA-N 486.973 4.301 50 10 JIGE CCOc1cc(C=C2C(=O)N(CCOC)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 2314618361 LYXUCYQGHDTRMJ-UHFFFAOYSA-N 460.530 4.211 50 10 JIGE COc1cc(C=C(C#N)c2ccccc2F)ccc1OC(=O)CN1C(=O)c2ccccc2C1=O 2320506365 ICAKUXPZWFFYDM-UHFFFAOYSA-N 456.429 4.100 50 10 JIGE CCN(CC)c1ccc(C=NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 2325903229 IDGXEAIOOUPBCR-IAGOWNOFSA-N 465.623 4.140 50 10 JIGE CC[C@H](C)[C@@H](C(=O)Nc1sc(C(C)=CC#N)c(C)c1C(=O)OC)N1C(=O)c2ccccc2C1=O 2331562126 ICDMIJKWHYCSOI-DJJJIMSYSA-N 479.558 4.419 50 10 JIGE COc1ccc(Br)cc1C(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl 9695873 BOHMCGSIGPOFIR-UHFFFAOYSA-N 476.154 4.385 50 10 JIGE Cc1ccc(OCC(=O)NNC(=O)C(c2ccccc2)c2ccccc2)c(Br)c1 12582021 XBKWGRBMGAMWRJ-UHFFFAOYSA-N 453.336 4.116 50 10 JIGE CCCOc1ccc(C(=O)NNC(=O)COc2cccc3ccccc23)cc1Br 14647349 HWKDVAXRTSVUAU-UHFFFAOYSA-N 457.324 4.231 50 10 JIGE CN(C)S(=O)(=O)c1ccc(C(=O)Oc2cccc(/C=C(/C#N)c3ccccc3F)c2)cc1 31902812 PEMZWUHSYDXFJZ-RGEXLXHISA-N 450.491 4.359 50 10 JIGE C[C@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc([N+](=O)[O-])cc1 38654775 IHPVFOWFMWPYJD-LFVRLGFBSA-N 475.432 4.325 50 10 JIGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(F)cc4)ccc32)cc1OC 38659484 PQLWQPQQCHYCSQ-AREMUKBSSA-N 490.487 4.436 50 10 JIGE COc1cccc(NC(=O)/C(C#N)=C/c2c(Oc3ccc(F)cc3)nc3c(C)cccn3c2=O)c1 39992980 SASSQWQLCFDZEJ-GHRIWEEISA-N 470.460 4.489 50 10 JIGE O=C(NNc1ncnc(Nc2ccc(Br)cc2)c1[N+](=O)[O-])c1ccc(Cl)cc1 40649178 FKGNJFPFRYUUQU-UHFFFAOYSA-N 463.679 4.301 50 10 JIGE COc1cc(/C=N/NC(=O)CCCOc2ccc(C)cc2Br)cc(OC)c1OC 40951246 NBNWMLUXKARAQC-YDZHTSKRSA-N 465.344 4.093 50 10 JIGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccccc2OCc2ccccc2C#N)cc1 58895488 JFMIUULDYVFYTH-MAGAZJOKSA-N 457.530 4.500 50 10 JIGE CCOC(=O)c1nn(-c2ccccc2)c2c1CN(C(=O)N[C@@H]1CC(C)(C)C[C@](C)(CN=C=O)C1)CC2 170290577 KNYKETOCFXFGGJ-XHCCPWGMSA-N 493.608 4.038 50 10 JIGE O=C(NC[C@H]1CCC[C@H]1CCl)c1cc(I)ccc1Br 236018868 SKCLVSMIIXOBDD-VHSXEESVSA-N 456.549 4.439 50 10 JIGE CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2cccc([N+](=O)[O-])c2)cc1 252623581 OUSYJRIFYOBPFF-DYBOXTRGSA-N 485.544 4.362 50 10 JIGE CCc1ccc(NC(=O)C(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 254416874 LOUQGNQRPWPAEE-UHFFFAOYSA-N 455.493 4.330 50 10 JIGE CC1(C)CN(S(=O)(=O)c2cc(CCl)oc2Br)CCN1Cc1ccccc1 382649022 UKQNVQYJXJGPKS-UHFFFAOYSA-N 461.809 4.066 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2C[C@@H](CBr)[C@@H](C)C2)cc1Br 709241487 VPBHQKLXZWASSQ-VHSXEESVSA-N 490.055 4.172 50 10 JIGE COc1cccc(C=NNC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)c1OC 1083959613 QPPYBRXTYVQBIE-UHFFFAOYSA-N 495.601 4.051 50 10 JIGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2cccc(Cl)c2)cc1)Nc1ccccc1Cl 1084054635 CEVBWFNAGXJRAP-UHFFFAOYSA-N 485.327 4.100 50 10 JIGE O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)NN=Cc1ccc(I)cc1 1084116694 OJZGXQUHWHZJJC-UHFFFAOYSA-N 498.327 4.052 50 10 JIGE COc1ccc(-c2nn(CC(C)C)c3c2[C@H](c2cc(OC)c(OC)cc2OC)C(C#N)=C(N)O3)cc1 1865711502 ABRXZUQNTWGJDF-HSZRJFAPSA-N 490.560 4.459 50 10 JIGE C[C@H]1CN(Cc2ccccc2)CCN1S(=O)(=O)c1ccc(CCl)c(Br)c1 1885141387 ZXZXTSFVOCZGGB-HNNXBMFYSA-N 457.821 4.083 50 10 JIGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@H](CNC(=O)[C@@H](Br)C2CCCC2)C1 2025232640 XQPYXZGPZZTJML-RTWAWAEBSA-N 494.474 4.178 50 10 JIGE CCOc1c(I)cc(C=C(C#N)C(=O)Nc2ccc(OC)cc2)cc1OC 2053623321 RDFZENIXJDXMDW-UHFFFAOYSA-N 478.286 4.253 50 10 JIGE O=C(N[C@@H]1CCCC[C@@H]1Br)c1ccc(Br)cc1I 2086148336 ZHUOGDSWPQZGBG-CMPLNLGQSA-N 486.973 4.490 50 10 JIGE O=C(c1cc(Br)ccc1Br)N1CC[C@@H]2[C@H](CBr)[C@@H]2C1 2093138091 QJNKSRVWAXYEMS-ADEWGFFLSA-N 451.984 4.315 50 10 JIGE Cc1cc(CBr)ccc1S(=O)(=O)N1C[C@H](C)N(Cc2ccccc2)C[C@@H]1C 2179786481 AYQZAPXYZUXEPO-ROUUACIJSA-N 451.430 4.173 50 10 JIGE O=S(=O)(c1cc(CBr)ccc1F)N1CCCN(Cc2ccccc2)CCC1 2179789546 RZXJUBCUZWAUIV-UHFFFAOYSA-N 455.393 4.007 50 10 JIGE COc1c(CBr)cc(Cl)cc1S(=O)(=O)N1CC[C@H](OCc2ccccc2)C1 2179827191 BJZMBNYXPBBKMP-KRWDZBQOSA-N 474.804 4.223 50 10 JIGE O=S(=O)(N[C@@H]1CC[C@H]2C[C@@]21CBr)c1cc(Br)ccc1Br 2188622271 DZJCZUCGRODCRZ-ZEGGKSINSA-N 488.039 4.054 50 10 JIGE CN(C(=O)c1ccc(Cl)c(I)c1)[C@@H](CCBr)C(F)F 2268358042 LFJQVGFQTYITMI-JTQLQIEISA-N 466.491 4.435 50 10 JIGE CNC(=O)C(C#N)=C1S[C@@H](Cc2cccc(Br)c2)C(=O)N1c1ccc(Cl)cc1 2293039110 DBYMAORMTLCVST-KRWDZBQOSA-N 476.783 4.275 50 10 JIGE CCN(C[C@](C)(CI)OC[C@@H]1CCC[C@@H](C)O1)C(=O)OC(C)(C)C 2301122167 IHXSDVZDLDJDBB-VKJFTORMSA-N 455.377 4.411 50 10 JIGE CCN(C[C@@](C)(CI)OC[C@H]1O[C@H]2CC[C@H]1C2)C(=O)OC(C)(C)C 2307488058 NWEREYURPILLLK-OIPACUDHSA-N 453.361 4.021 50 10 JIGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCOC)C(=O)C(C#N)=C2C)cc1 2314618602 QFNWEQFVETYQTC-UHFFFAOYSA-N 494.551 4.343 50 10 JIGE CN(Cc1c(Br)c(Br)nn1C)c1ccccc1CBr 2338944737 PGSPPQYIBPYAHR-UHFFFAOYSA-N 451.988 4.476 50 10 JIGE COc1ccc(/C=N/NC(=O)Cn2c(C)nc3ccccc32)cc1COc1ccc(F)cc1F 20616132 XBPAKSABZREXBJ-XODNFHPESA-N 464.472 4.361 50 10 JIGE COc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OC)c1OC 38658712 NWLQKZJMKQNRPJ-QHCPKHFHSA-N 458.470 4.150 50 10 JIGE Cc1ccc2nc(Nc3ncnc(NNC(=O)c4ccc(Br)cc4)c3N)sc2c1 40783567 WWECFGRPTRZMLU-UHFFFAOYSA-N 470.356 4.240 50 10 JIGE Nc1c(NNC(=O)c2ccccc2Br)ncnc1Nc1ccc(OC(F)(F)F)cc1 40785006 WSPAGTGMAKHHTO-UHFFFAOYSA-N 483.248 4.220 50 10 JIGE CCOc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1OCc1cc(=O)n2nc(C)sc2n1 50806594 DJNUPBBTIQQYMJ-YVLHZVERSA-N 484.541 4.378 50 10 JIGE Cc1nn(-c2ccccc2)c(O)c1/C=N/NC(=O)CN(Cc1ccccc1)Cc1ccccc1 59165172 IOXOGCGFNORPRC-OGLMXYFKSA-N 453.546 4.039 50 10 JIGE Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1/C=N/NC(=O)c1cc(F)c(F)cc1Cl 59165945 XEJGEKYXFWCBNP-LIMNOBDPSA-N 478.799 4.001 50 10 JIGE CCOC(=O)c1cc(C(C)C)sc1NC(=O)/C(C#N)=C\c1cc2c(cc1[N+](=O)[O-])OCO2 98063467 TVOSLXCUSQDNKV-ACAGNQJTSA-N 457.464 4.231 50 10 JIGE Cc1c(C(=O)NNC(=O)c2ccc(F)cc2)oc2c1/C(=N/NC(=O)c1cccc3ccccc13)CCC2 101602889 KZZVZAUQONJPRI-JBASAIQMSA-N 498.514 4.426 50 10 JIGE CCC(CCl)(CCl)NS(=O)(=O)c1cc(Br)c(C)cc1Br 232948292 VIMKSENDRQDZOV-UHFFFAOYSA-N 468.038 4.425 50 10 JIGE COc1cc(C[C@@H](Cl)c2cc(Br)ccc2I)ncn1 234988081 QXPBWRXUXQDPMH-LLVKDONJSA-N 453.505 4.375 50 10 JIGE COc1cc(C=NNC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)ccc1C 252625686 QPBQATAQPDPRRO-UHFFFAOYSA-N 479.602 4.473 50 10 JIGE Cn1ncc([C@H](Cl)c2cc(Br)c3c(c2)CCCO3)c1I 689615598 VKCYGSPCPIXVLS-GFCCVEGCSA-N 467.532 4.440 50 10 JIGE C/C(=C/C(=O)NNC(=O)CCCCCNC(=O)OC(C)(C)C)c1ccccc1C(F)(F)F 1147663100 OQDYOEBYUVREFA-PFONDFGASA-N 457.493 4.341 50 10 JIGE Cc1c(C(=O)N2CCN(c3ccccc3)CC2)oc2c1C(=NNC(=O)c1ccccc1F)CCC2 1772744259 TYJQQILLCBVRKP-UHFFFAOYSA-N 474.536 4.160 50 10 JIGE O=C(N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21)c1cncc(Br)c1 1860822978 SEEBXDRBXWZOIU-PLRJNAJWSA-N 469.726 4.178 50 10 JIGE O=C(c1scc(Br)c1Br)N1C[C@@H](Br)C[C@]2(CCCO2)C1 1924217012 DIIXYGGOCSSSAC-ISVAXAHUSA-N 488.039 4.432 50 10 JIGE O=C(CBr)c1cc(I)c(Br)c(OC(F)F)c1 2054808827 CPILAIPDRLKCJF-UHFFFAOYSA-N 469.845 4.233 50 10 JIGE O=C(CCl)c1cc(I)c(I)cc1C(F)(F)F 2060044251 FMGLXLBRJULWJX-UHFFFAOYSA-N 474.385 4.336 50 10 JIGE O=C(CBr)c1cc(C(F)(F)F)cc(I)c1OC(F)F 2060378325 QRIABYSOELMYLA-UHFFFAOYSA-N 458.946 4.489 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H]2CC[C@H](Cl)[C@H]2C1 2087933025 PRWFLJDAPUMHPO-NHCYSSNCSA-N 454.533 4.143 50 10 JIGE O=S(=O)(C[C@@H](Br)c1cc(Br)ccc1Br)N1CCCC1 2089390412 ZUVTWOZMRSZMQO-GFCCVEGCSA-N 476.028 4.073 50 10 JIGE ClCCOCc1cn(-c2cc(Br)c(Br)c(Br)c2)nn1 2095438107 RELLKPNDGUYSEJ-UHFFFAOYSA-N 474.378 4.310 50 10 JIGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CC[C@H](Br)C(F)(F)CC1 2150022561 SCLYQDAAOXQUIM-ZETCQYMHSA-N 473.586 4.347 50 10 JIGE CC[C@@H]1CN(S(=O)(=O)c2c(C)oc(C)c2CBr)CCN1Cc1ccccc1 2179788260 ACBPDOKYGFIODH-GOSISDBHSA-N 455.418 4.076 50 10 JIGE Cc1csc(CBr)c1S(=O)(=O)N(C)C[C@H]1CCCN(Cc2ccccc2)C1 2179817113 VSZWTHASGLCEQR-GOSISDBHSA-N 471.486 4.484 50 10 JIGE Cc1sc(CBr)cc1S(=O)(=O)N1CCN(Cc2ccccc2)C2(CCC2)C1 2179818514 ANCLPMIEUZYFKD-UHFFFAOYSA-N 469.470 4.381 50 10 JIGE Cc1ccc(C(=O)N(C)C[C@H](Cl)COCc2ccccc2)cc1I 2212990061 FDLHIMQMRLRGBY-KRWDZBQOSA-N 457.739 4.496 50 10 JIGE CC(C)(C)OC(=O)N[C@@H](Cc1cccc(Br)c1)C(=O)NCC1CC(Br)C1 2229116455 NOINKRBDRQAPAX-BCLQGDPASA-N 490.236 4.175 50 10 JIGE COCCN(C[C@H](C)Br)C(=O)c1cc(Br)sc1Br 2259767773 GKOJNXFOWUTLQD-ZETCQYMHSA-N 464.017 4.145 50 10 JIGE CCCN1CC[C@@H]([C@H](Br)c2scc(Br)c2Cl)S1(=O)=O 2264610162 SBXRFBZPQMUWFG-IUCAKERBSA-N 451.633 4.414 50 10 JIGE BrC[C@@]12CCO[C@H]1CN(Cc1c(Br)cccc1Br)C2 2278926058 VPYHCEWVGYNYAU-UONOGXRCSA-N 454.000 4.197 50 10 JIGE COc1cc(C=C(C#N)C2=NN(c3ccccc3)[C@@H](N)[C@@H]2C#N)ccc1OCc1cccc(C(=O)O)c1 2313564945 HLJFPZDMRNVKAB-YIXXDRMTSA-N 493.523 4.180 50 10 JIGE Cc1ccc(C=C(C#N)C(=O)N[C@@H](CC(=O)OCc2ccccc2)C(=O)OCc2ccccc2)cc1 2329622768 OXGAAJPWRQVDIK-SANMLTNESA-N 482.536 4.264 50 10 JIGE O=C(c1sccc1I)N1C[C@H]2CC(CBr)C[C@@H](C2)C1 2342489381 CFPSHNYAKDANKG-QWRGUYRKSA-N 454.171 4.236 50 10 JIGE Cn1nc(Br)c([C@@H](Br)c2cc3c(cc2Br)OCCC3)n1 2369628603 FOYPEDMVURPCMY-NSHDSACASA-N 465.971 4.149 50 10 JIGE C[C@@H]1[C@H](Br)CCN(S(=O)(=O)c2cc(Br)ccc2Br)[C@@H]1C 2370654655 BOJMBVHCWCPCOF-IQJOONFLSA-N 490.055 4.394 50 10 JIGE Clc1ccc(I)cc1CN1CC2(CCOCC2)[C@H]1CBr 2381032908 DBADZMGNXJFAAE-CQSZACIVSA-N 470.576 4.321 50 10 JIGE Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=O)c2cccc(OCCc3ccccc3)c2)c1 10331276 TYTVDOYUIKUIAQ-UHFFFAOYSA-N 459.546 4.105 50 10 JIGE O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NNC(=O)COc1ccc(Cl)cc1Cl 12581400 DIRITQYWIWQBBE-UHFFFAOYSA-N 479.147 4.245 50 10 JIGE COC(=O)c1ccc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc(OC)c2)CCC3)cc1 40822221 DXRBKMFIEBGPHE-NHFJDJAPSA-N 476.485 4.073 50 10 JIGE COc1cc(/C=N/NC(=O)CSc2nnc(N)s2)ccc1OCc1ccc(C(C)(C)C)cc1 40947126 UIWQJXRXFXNZOO-BRJLIKDPSA-N 485.635 4.248 50 10 JIGE Nn1c(SCCCC(=O)N/N=C/c2cccc(Oc3ccccc3)c2)nnc1-c1ccccc1 58987345 ROUIZSGBJGGTNK-OVVQPSECSA-N 472.574 4.474 50 10 JIGE Nn1c(SCCCC(=O)N/N=C/c2ccc(Cl)cc2)nnc1-c1ccc(Br)cc1 58989438 NSBKGYYKRQZGRR-FSJBWODESA-N 493.818 4.097 50 10 JIGE O=S(=O)(NCC1(CCBr)CC1)c1cc(Br)ccc1Br 97908244 YCZZWHLMLFLTRF-UHFFFAOYSA-N 476.028 4.055 50 10 JIGE CCCOc1ccc([C@H](C(=O)NC2CCCCC2)N(CCCOCC)C(=O)CCl)cc1OC 97914603 HTXQYZKGGUTMGN-XMMPIXPASA-N 483.049 4.468 50 10 JIGE COc1ccc([C@@H]2c3sc(=S)[nH]c3S[C@@H]3[C@H]4C[C@@H]([C@@H]5C(=O)OC(=O)[C@@H]54)[C@@H]23)cc1OC 256024394 GITDHNQDBYHNKA-PEBYFVSTSA-N 461.586 4.011 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OCCOCC2CCC2)C1 400670497 OXPXHQSLOKTFDR-GOSISDBHSA-N 453.361 4.024 50 10 JIGE COCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2nc(-c3ccc(OC)c(OC)c3)cs2)c1C 790007851 CIPGCFOWAGXOFK-ODLFYWEKSA-N 466.563 4.438 50 10 JIGE CSc1ccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 1084217884 UHFGFMDTBHQVBJ-UHFFFAOYSA-N 481.643 4.101 50 10 JIGE CC1(C)[C@@H]2CC[C@]1(C)/C(=N\NC(=O)CN1C(=O)N[C@](C)(c3ccc(Cl)cc3Cl)C1=O)C2 1086830838 PGTQQKGRFYLCQK-XTVFJBESSA-N 465.381 4.079 50 10 JIGE O=C(NNc1nc2c(OC(F)F)cc(Br)cc2s1)C(Cl)(Cl)Cl 1615891570 COZWDHIRIMFHFI-UHFFFAOYSA-N 455.495 4.474 50 10 JIGE Cc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)NC3CC(C)(C)NC(C)(C)C3)c(C)c21 1772743645 HQMIZTBZYZGMJJ-UHFFFAOYSA-N 464.610 4.406 50 10 JIGE COc1ccc(C(=O)NN=C2CCCc3oc(C(=O)N4CCN(c5ccccc5)CC4)c(C)c32)cc1 1772745696 IGWPSPKDJWTLOL-UHFFFAOYSA-N 486.572 4.029 50 10 JIGE COc1cc(C=NNC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)cc([N+](=O)[O-])c1O 1772752599 NOHJXCBJEWAIHV-UHFFFAOYSA-N 463.490 4.164 50 10 JIGE CCCCC1CCC(C(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)CC1 1860771665 CTXDLDTTZDJRRE-KNXWPPODSA-N 472.655 4.288 50 10 JIGE COc1ccc(-c2ccc(C(=O)NNC(=O)/C=C/c3cccc(OC(C)C)c3)c(C)n2)cc1OC 1865758319 UZYVVMODFNKYBM-NTEUORMPSA-N 475.545 4.336 50 10 JIGE COc1ccccc1OCC(=O)N/N=C/c1ccc(OC)c(OCc2cccc(Cl)c2)c1 1873497326 PHABUHFYYFYFMS-VULFUBBASA-N 454.910 4.465 50 10 JIGE O=S(=O)(c1cc(Cl)c(Br)s1)N1C[C@H](CBr)C2(CCC2)C1 1914028992 SQCSWXKSMDGUEF-QMMMGPOBSA-N 463.644 4.350 50 10 JIGE CC(C)(C)OC(=O)N[C@@H](CBr)C1CCC2(CC1)CN(C(=O)OC(C)(C)C)CCO2 1975075668 ZPAKOEMSVFWRCO-TZQQIIETSA-N 477.440 4.471 50 10 JIGE O=S(=O)(c1ccc(CBr)c(Cl)c1)N1CC[C@H](COCc2ccccc2)C1 2123201287 UWYYWXQTDWNNGW-INIZCTEOSA-N 458.805 4.462 50 10 JIGE CN(C)CCN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)cc(CBr)c1F 2123270870 ZUYYYNDGMKNBSY-UHFFFAOYSA-N 463.800 4.127 50 10 JIGE O=C(c1csc(I)c1)N1CC[C@@H]2CC[C@@H](Br)C[C@@H]2C1 2139239074 VBUZLIMBIFPNIU-HOSYDEDBSA-N 454.171 4.378 50 10 JIGE CSCC[C@@H](Br)CCNS(=O)(=O)c1ccc(Br)cc1Cl 2146553651 DQGKHJWWKOTRMF-VIFPVBQESA-N 465.660 4.288 50 10 JIGE CN([C@@H]1CC[C@@H]1OCc1ccccc1)S(=O)(=O)c1cc(CBr)cc(F)c1F 2179862613 YSFNBAUTJRVTNG-SJORKVTESA-N 460.340 4.228 50 10 JIGE CN([C@@H](CBr)CC1CC1)S(=O)(=O)c1cc(Br)ccc1Br 2234558769 KYXLNUDXTDJJNP-LLVKDONJSA-N 490.055 4.396 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N1CC(F)(F)C[C@H]1CBr 2295316160 UYOULQSFPLBXQZ-NSHDSACASA-N 475.953 4.385 50 10 JIGE C=CCOc1c(Br)cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OC 2313545823 IBAIHXHTBIPRGE-UHFFFAOYSA-N 482.378 4.278 50 10 JIGE O=C(N[C@H]1C[C@@H](CCl)[C@H]2C[C@H]12)c1cc(Br)ccc1I 2329875466 VDBRKQMWGDNDLX-DTITTZBUSA-N 454.533 4.047 50 10 JIGE O=C(N[C@H]1C[C@@H]2C[C@H]1C[C@@H]2Cl)c1ccc(I)c(Br)c1 2330905759 YEZNDRCAXWLBBK-PZEZNAACSA-N 454.533 4.189 50 10 JIGE Clc1ccc(CN2CC3(C2)OCCC[C@H]3Br)cc1I 2337227886 QAKVDURWNRMROP-CYBMUJFWSA-N 456.549 4.073 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)C[C@@H]2C[C@@H](OCc3ccccc3)C[C@@H]21 2350364145 UOUANGUQDXUKJV-VKDGWMQASA-N 496.695 4.321 50 10 JIGE CCn1nc(Br)c(COc2ccc(CBr)cc2Br)n1 2351851475 JXQUNAWRQSPPHR-UHFFFAOYSA-N 453.960 4.297 50 10 JIGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H](CBr)C1CCCCC1 2364192007 YGBXWJUVRJGVJO-FQEVSTJZSA-N 499.471 4.106 50 10 JIGE COc1cc(Br)c(C(=O)N[C@@H](CCCl)COCc2ccccc2)cc1OC 2369683206 XASMFEAAYKOQIQ-HNNXBMFYSA-N 456.764 4.410 50 10 JIGE O=C(COc1ccc(Cl)cc1Cl)NC(=S)NNC(=O)c1ccc(-c2ccccc2)cc1 12502369 ZNLJNZJMQBYEIZ-UHFFFAOYSA-N 474.369 4.375 50 10 JIGE CC(C)CC(=O)Nc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Br)cc1 14644408 BDMVZFBAUQMKQQ-ZDUSSCGKSA-N 496.789 4.316 50 10 JIGE COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(Cl)cc3)cc2OC)cc1OC 33959233 LZAJVGJIMIDUES-MZJWZYIUSA-N 498.919 4.114 50 10 JIGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc32)c1 38659767 OTIBIRYXJYPEJN-QHCPKHFHSA-N 473.441 4.049 50 10 JIGE Cc1ccc(Oc2ncnc(NNC(=O)c3ccccc3Br)c2[N+](=O)[O-])cc1C 40658401 VDOVHPBRKGOWKF-UHFFFAOYSA-N 458.272 4.313 50 10 JIGE O=S(=O)(N[C@H](CCl)c1ccccc1)c1cc(Br)ccc1Br 96873135 XMMQPKONTCZGPP-CYBMUJFWSA-N 453.583 4.470 50 10 JIGE COc1cc([C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)ccc1O 382705492 FICZMRRFHIPFLZ-DLBZAZTESA-N 467.303 4.188 50 10 JIGE O=S1(=O)CC[C@@H](CCOc2c(Br)cc(Br)cc2CBr)C1 696957927 BVCGNBKXKCNVGF-SECBINFHSA-N 491.039 4.310 50 10 JIGE Cc1nnc(CC(CBr)(CBr)c2cccc(Br)c2)n1C 708374759 NIVOMBAAGUIUJB-UHFFFAOYSA-N 466.015 4.156 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@H]2C[C@H](Br)C[C@H]1C2 709823172 STYOUAHCWMFPFU-ATZCPNFKSA-N 498.984 4.442 50 10 JIGE CCc1nc2ccccc2n1CC(=O)NNC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12 727722903 LRFFTXWOWXNBIU-UHFFFAOYSA-N 498.518 4.280 50 10 JIGE COc1ccc(C=NNC(=O)COc2c(C)cc(Br)cc2Br)cc1 1084061220 NBHFCPLGUNWLIX-UHFFFAOYSA-N 456.134 4.058 50 10 JIGE C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)N2CC=C(C#N)CC2)ccc1Cl 1137601628 UBZBHSNPMBAIAC-UHFFFAOYSA-N 459.930 4.156 50 10 JIGE O=C(COc1ccc(Br)cc1)NNC[C@@H](C(=O)c1ccc(F)cc1)c1ccc(F)cc1 1615943032 APSIRMZZTKQARP-OAQYLSRUSA-N 489.316 4.394 50 10 JIGE COC(=O)c1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccccc1F)CCC2 1772743812 JEGBKDOYGSPFEW-UHFFFAOYSA-N 463.465 4.236 50 10 JIGE Cc1ccc(C(=O)NN=C2CCCc3oc(C(=O)NNC(=O)c4ccc(Cl)cc4)c(C)c32)cc1 1772744356 CBZKJUNASGFNAE-UHFFFAOYSA-N 478.936 4.095 50 10 JIGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3C)ccc1OCCc1ccccc1 1865687838 BJBSKQMGDAWIGB-IBGZPJMESA-N 470.451 4.287 50 10 JIGE CC(C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc5c(c4)OCO5)cs3)cc2C1=O 1872752759 QVWBBYPVVHBEIF-FXBPSFAMSA-N 459.483 4.493 50 10 JIGE CCCOc1ccc(/C=N/NC(=O)COc2ccc(C(=O)NCc3ccccc3)cc2)cc1OCC 1873496119 DEFDALMSPFSQOE-NDZAJKAJSA-N 489.572 4.333 50 10 JIGE BrCCC1CN(Cc2ccc(I)c(Br)c2)C1 1904343693 LPJDWHPIANYSOK-UHFFFAOYSA-N 458.963 4.271 50 10 JIGE O=C(N[C@@H](CBr)C1CCC1)c1ccc(Br)cc1I 2086138772 GDIROWWREIKERP-LBPRGKRZSA-N 486.973 4.347 50 10 JIGE COC[C@@](C)(CBr)N(C)C(=O)c1c(Br)cccc1Br 2094095080 ISMWMKCLYQPTES-CYBMUJFWSA-N 457.988 4.084 50 10 JIGE C[C@@H]1CN(C(=O)c2scc(Br)c2Br)C[C@@H](CCBr)O1 2122797123 DDRFIOMTHLLPIV-HTQZYQBOSA-N 476.028 4.288 50 10 JIGE Cc1cc(CBr)cc(S(=O)(=O)N2CC[C@@H](COCc3ccccc3)C2)c1C 2179863839 SHAHAXZAUSWRSX-LJQANCHMSA-N 452.414 4.426 50 10 JIGE CC(C)[C@H](CI)NC(=O)c1ccc(Cl)c(I)c1 2248255089 NGQMIODUYYYAFA-NSHDSACASA-N 477.511 4.134 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC[C@H]2C[C@]23CC3(F)F)C1 2307350563 JVVKBPSODFPXQB-WQVCFCJDSA-N 457.299 4.253 50 10 JIGE Cc1cc(Br)ccc1OCC(=O)NNC(=S)NC(=O)C=Cc1cccc2ccccc12 2313616922 YDNRDWYDRCQGBO-UHFFFAOYSA-N 498.402 4.025 50 10 JIGE CCOc1cccc(-n2cnc(I)c2I)c1CCl 2319157441 IRNNLOKZJBJASX-UHFFFAOYSA-N 488.494 4.219 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@@](C)(C(=O)O)c1cscc1Br 2346116956 YZFJQTIQYGJFCI-MRXNPFEDSA-N 485.491 4.306 50 10 JIGE CC(C)(CCl)C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1nnc(-c2ccc(F)cc2)s1 16607712 QYKONKZGSFTBOT-QGZVFWFLSA-N 460.962 4.275 50 10 JIGE Cc1ccccc1C(=O)NNc1ncnc(Nc2ncc(C(F)(F)F)cc2Cl)c1[N+](=O)[O-] 40657781 GDYZCRXNISBTBZ-UHFFFAOYSA-N 467.795 4.261 50 10 JIGE Cc1ccccc1OCC(=O)N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 59146805 COHAZIDRTZJZBI-YDZHTSKRSA-N 450.407 4.133 50 10 JIGE COc1ccc(SCC(=O)N/N=C/c2ccc(OCc3cccc(C(=O)O)c3)c(OC)c2)cc1 59250433 LJXKBKRUOMUNFF-VULFUBBASA-N 480.542 4.223 50 10 JIGE COc1cc(/C=N\NC(=O)c2ccc3nc(S)[nH]c3c2)ccc1OCc1ccccc1F 169917633 UPGXEOMAKHRCBW-ROTLSHHCSA-N 450.495 4.342 50 10 JIGE Cn1ccc(CC(CBr)(CBr)c2ccccc2Br)n1 213160160 JHDXCMVMGXCVQS-UHFFFAOYSA-N 451.000 4.453 50 10 JIGE CCOc1cc(C=NNC(=O)CNC(=O)c2cccc3ccccc23)ccc1OC(=O)c1ccccc1 254692649 UGUDTUMFBJYZJB-UHFFFAOYSA-N 495.535 4.338 50 10 JIGE COc1cc([C@@H](Br)c2cnn(C)c2Br)c(OC)cc1Br 379157395 IMCQKIUCAJBVLX-GFCCVEGCSA-N 468.971 4.447 50 10 JIGE CC1(C)[C@H](Br)CCN1S(=O)(=O)c1cc(Br)ccc1Br 389124192 OAKHYAMPUHCDQY-LLVKDONJSA-N 476.028 4.148 50 10 JIGE C[C@@H]1C[C@H](CCl)CN(C(=O)c2cc(I)ccc2Br)C1 398683439 ZFAZLSPFHHSBJD-NXEZZACHSA-N 456.549 4.391 50 10 JIGE C[C@@H](Br)[C@@H]1CCN(S(=O)(=O)c2cc(Br)ccc2Br)C1 719788533 YGLSVFILRMHSQW-RKDXNWHRSA-N 476.028 4.006 50 10 JIGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1CCS[C@@H](CBr)C1 720045025 MEYWFKLNYCYSRK-QMMMGPOBSA-N 484.062 4.257 50 10 JIGE CC(=NNC(=O)/C(=C\C(=O)c1ccccc1)c1nnc(O)c2ccccc12)c1cccc(C)c1 1082540881 SLWUPCSHBHDHJZ-YVJBDIRQSA-N 450.498 4.451 50 10 JIGE CC(=NNC(=O)CCCSc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc2c(c1)OCO2 1084377993 VJCFJTYYPJXBJV-UHFFFAOYSA-N 458.521 4.346 50 10 JIGE C=CCn1cc(CNC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)nn1 1536910446 VTUMPGSJNFPLJE-ZDLGFXPLSA-N 454.456 4.114 50 10 JIGE C=CCOc1cc(OC)ccc1C(=O)NNC(=O)Nc1ccc(Br)cc1Cl 1556338560 RACYSMLQPYGYAO-UHFFFAOYSA-N 454.708 4.142 50 10 JIGE COC(=O)c1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(C)cc2)CCC3)cc1 1772744514 FDZUEZXUEVEDDX-UHFFFAOYSA-N 459.502 4.406 50 10 JIGE Cc1c(C(=O)Nc2ccccc2Br)oc2c1C(=NNC(=O)c1ccncc1)CCC2 1772745740 JXTMXCLDEHCINM-UHFFFAOYSA-N 467.323 4.468 50 10 JIGE COc1cc(NC(=O)[C@H](Br)Cc2ccccc2Br)cc(OC)c1OC 1858181512 VCHLZXSWEZQWFL-CQSZACIVSA-N 473.161 4.420 50 10 JIGE Cc1ccc(-c2csc3ncn(CC(=O)N/N=C/c4ccc(F)c(Br)c4)c(=O)c23)cc1 1860772600 AIUGBBPDOLCVLX-JQAMDZJQSA-N 499.365 4.485 50 10 JIGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1865714335 HPVSGSJSRKBLRM-QFIPXVFZSA-N 465.469 4.430 50 10 JIGE COCCOc1ccc(/C=C(\C#N)C(=O)N[C@H](c2ccc(OC)cc2)c2nc(C)cs2)cc1 1866214015 NTXKKHJHMXNAFY-POEBIKTISA-N 463.559 4.298 50 10 JIGE CC[C@@H](NC(=O)CCN(Cc1cccnc1)C(=O)OC(C)(C)C)C(=O)Nc1ccc(SC#N)cc1 1867086523 YTBHZCOMYMNRBO-OAQYLSRUSA-N 497.621 4.315 50 10 JIGE CC[C@H](C)N1C(=O)c2ccc(C(=O)Nc3sc(/C(C)=C/C#N)c(C)c3C(=O)OC)cc2C1=O 1873427471 SYVOUSQIHCZKGV-SRXBQZRASA-N 465.531 4.417 50 10 JIGE Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CCCC[C@H]3CCSS3)cc2)n1 1874188545 QMMAZNXEYUTHOW-INIZCTEOSA-N 452.627 4.238 50 10 JIGE C[C@@H](CCBr)N(Cc1ccccc1)Cc1nn(C)cc1I 1890830941 YOTVXXSTGYAHKQ-ZDUSSCGKSA-N 462.173 4.200 50 10 JIGE O=C(c1scc(Br)c1Br)N1C[C@H](Br)[C@H](Br)C1 1990922868 CRKCOMZSDJIBOA-SYDPRGILSA-N 496.844 4.256 50 10 JIGE C[C@@H]1C[C@@H](Br)CCN(c2ncc(I)cc2Br)C1 2015765688 KAGPIUSJOAXCKL-BDAKNGLRSA-N 473.978 4.449 50 10 JIGE CC1(C)[C@H](Cl)C[C@H]1CNC(=O)c1ccc(I)c(Br)c1 2097947844 BAMFAJHFQHDWSR-JOYOIKCWSA-N 456.549 4.437 50 10 JIGE C[C@@]12CN(C(=O)c3ccc(Br)cc3Br)C[C@@]1(CBr)C2 2109181633 HMMUKPVUWSCTEW-KGLIPLIRSA-N 451.984 4.459 50 10 JIGE C[C@@]12CN(C(=O)c3ccc(I)c(Br)c3)C[C@]1(CCl)C2 2109189011 ZFULWKXLYITNHM-ZIAGYGMSSA-N 454.533 4.145 50 10 JIGE CN(C[C@@H]1CCCCN1Cc1ccccc1)S(=O)(=O)c1cc(CBr)cs1 2123232023 LJDGCQLWNDEBRO-SFHVURJKSA-N 457.459 4.318 50 10 JIGE O=C(c1cc(Br)c(Br)s1)N1C[C@H](CBr)OCC12CC2 2127545644 BXMYNVNDXFBKBO-ZETCQYMHSA-N 474.012 4.042 50 10 JIGE FC(F)(F)c1cnc(N2C[C@H]3C[C@H]2CC[C@@H]3Br)c(I)c1 2144888846 BBDBFKSOHWILIX-QNSHHTMESA-N 461.063 4.457 50 10 JIGE C[C@H](Br)C[C@@H]1CCCCCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2145937930 KIWBDHUJADWTSI-ROUUACIJSA-N 499.471 4.201 50 10 JIGE C[C@H](c1cncs1)N(C)S(=O)(=O)c1cc(CBr)sc1Br 2179791677 UWDMJCJHGARTMP-SSDOTTSWSA-N 460.238 4.244 50 10 JIGE Cc1oc(CBr)cc1S(=O)(=O)N1C[C@@H](C)CN(Cc2ccccc2)C[C@H]1C 2179808085 DCULDXZODYQWGZ-JKSUJKDBSA-N 455.418 4.014 50 10 JIGE Cc1oc(CBr)cc1S(=O)(=O)N(C)CC1CCN(Cc2ccccc2)CC1 2179812441 QPZBZMMBKCBLJI-UHFFFAOYSA-N 455.418 4.016 50 10 JIGE O=S(=O)(c1cc(CBr)cs1)N1[C@H]2CCC[C@H]1CN(Cc1ccccc1)CC2 2179823610 LOEHDFOIYYMVEN-OALUTQOASA-N 469.470 4.461 50 10 JIGE O=C(c1ccc(Br)cc1Br)N1CC[C@@H](OCCCBr)C1 2207052502 SRLKDRBDBYXDGB-LLVKDONJSA-N 469.999 4.228 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@@H](Cl)CCC12CC2 2227496195 QIJAXPHDHKHRQK-JTQLQIEISA-N 454.533 4.430 50 10 JIGE CSCC[C@@H](Br)CCNC(=O)c1cc(C)ccc1I 2232168126 XQIIEFRNDANSMZ-NSHDSACASA-N 456.187 4.236 50 10 JIGE C[C@H]([C@H](Br)c1c(F)cc(Br)c(F)c1Br)S(C)(=O)=O 2259998178 AGIDZQAGBFTSCG-VHWMUFPASA-N 470.955 4.359 50 10 JIGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OC)cc2)sc(C(=O)OC(C)C)c1C 2329622272 DSLYIOXICBBNDC-UHFFFAOYSA-N 456.520 4.353 50 10 JIGE COc1ccc(-c2csc(C(C#N)=C(O)CCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)cc1 2331276371 NNYYFUQHIZYRJB-UHFFFAOYSA-N 476.470 4.206 50 10 JIGE O=C(c1ccc(Br)cc1I)N1[C@H]2CC[C@@H]1C[C@H]2CCl 2333351371 YXUPSSPQEDHYOL-PLMOITTCSA-N 454.533 4.286 50 10 JIGE O=C(N[C@@H]1C[C@H]2C[C@H]1C[C@H]2Br)c1ccc(Cl)cc1I 2340066676 SYPXSRZWBCJRGP-LVNATWPUSA-N 454.533 4.236 50 10 JIGE CC(C)[C@@H]1C[C@H](Br)CN1S(=O)(=O)c1cc(Cl)c(Br)s1 2344599391 NUCWAUXSWWQLMY-CBAPKCEASA-N 451.633 4.347 50 10 JIGE CN1CC(C)(C)[C@H]1CO[C@@](C)(CI)c1ccccc1Br 2360385881 DNSQEDBWTQRQHY-ZBFHGGJFSA-N 452.174 4.456 50 10 JIGE Cn1nc(Br)c(Br)c1C(=O)N[C@H]1C[C@@H](Br)CC(C)(C)C1 2364015771 SIPSBYBQUDVFCL-SFYZADRCSA-N 472.019 4.017 50 10 JIGE CCCCOc1ccc(Br)cc1C(=O)NNC(=O)CCC(=O)Nc1ccc(C)cc1C 14649774 LEXPHLKVWKPBOH-UHFFFAOYSA-N 490.398 4.425 50 10 JIGE CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(C(C)(C)C)cc1 14655768 YZGGPNLHGXXIFF-UHFFFAOYSA-N 478.412 4.095 50 10 JIGE CCOC(=O)/C(C#N)=C\c1cc(I)c(OCc2ccccc2)c(OC)c1 33340149 WJLXRTAJAVZQHH-SXGWCWSVSA-N 463.271 4.349 50 10 JIGE C[C@H](Cl)C(=O)NC(=O)Nc1c(Br)cc(Br)cc1Br 37327833 VRKPGMXOXHXYDA-BYPYZUCNSA-N 463.351 4.250 50 10 JIGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)c1 38701060 JSDRXBRLHRHNFE-IZZNHLLZSA-N 482.492 4.215 50 10 JIGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCCCOC)c(C)c1 39983147 KHPOPSJLQYGIQZ-HEHNFIMWSA-N 456.546 4.472 50 10 JIGE C[C@@H](Sc1nnc(-c2ccccc2Cl)n1-c1ccccc1)C(=O)NNC(=O)C1CCC1 59844963 JDNCUWHRBGHJKO-CQSZACIVSA-N 455.971 4.016 50 10 JIGE COc1ccc(N2C(=O)[C@@H](Cc3ccccc3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101241053 CSCCBVMKUOJPLK-NLTRVXJZSA-N 469.566 4.438 50 10 JIGE COCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)CCc2ccc(C(C)(C)C)cc2)c(OC)c1 207163860 KBVYBJRZPYWXMY-PGMHBOJBSA-N 464.562 4.200 50 10 JIGE CCn1cc(C=NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(C)n1 252603964 FVRDBSJIMMBAPE-UHFFFAOYSA-N 498.243 4.400 50 10 JIGE Cc1ccc(C(=O)NCC(=O)NN=Cc2cn(-c3ccccc3)nc2-c2cccc(C)c2)cc1 254835324 BIJZQJOPSBPMQC-UHFFFAOYSA-N 451.530 4.036 50 10 JIGE C[C@@H]1C[C@@H](Br)CN(S(=O)(=O)c2cc(Br)ccc2Br)C1 401894867 JJOKLFQAOQVZKF-PSASIEDQSA-N 476.028 4.006 50 10 JIGE COc1ccc(C)cc1C1(CNC(=O)NNC(=O)c2c(Cl)cccc2Cl)CCOCC1 727842959 NUEBUHODHCXAIK-UHFFFAOYSA-N 466.365 4.003 50 10 JIGE COCC(=O)Nc1ccc(NC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)cc1 912926704 AJMTZRHOPVLQDI-AQTBWJFISA-N 488.935 4.248 50 10 JIGE O=C(CCCNC(=O)c1ccccc1)NN=Cc1ccc(OC(=O)c2ccccc2Cl)cc1 1554143004 KEGBEGOCCYCALW-UHFFFAOYSA-N 463.921 4.220 50 10 JIGE C#CCn1cc(CNC(=O)/C(C#N)=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)cn1 1568545728 CLYDUOPYIHAKDK-DJKKODMXSA-N 452.345 4.454 50 10 JIGE CCOC(=O)c1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)COc2ccccc2)CCC3)cc1 1772750197 XANWHYXJZJWIRK-UHFFFAOYSA-N 489.528 4.253 50 10 JIGE COc1ccc(-c2nn(CC(C)C)c3c2[C@@H](c2cc(OC)ccc2OC)C(C#N)=C(N)O3)cc1 1865692947 QGEQDCPHFDLMQZ-QFIPXVFZSA-N 460.534 4.450 50 10 JIGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc3c(c1)OCCO3)C(C#N)=C(N)O2 1865698601 YIHARQGGIRBPQJ-OAQYLSRUSA-N 466.900 4.276 50 10 JIGE O=C(COc1ccc(C(=O)NCc2ccccc2)cc1)N/N=C/c1c[nH]c2cc(Cl)ccc12 1873496521 WZHLNINAYZFKPP-WKULSOCRSA-N 460.921 4.280 50 10 JIGE O=C(N[C@H](CBr)C[C@@H]1CCOC1)c1cc(Br)c(Br)s1 1883292486 MPUXCCBGXDDIJV-YUMQZZPRSA-N 476.028 4.193 50 10 JIGE O=C(N[C@@H]1CC[C@@H](Br)C1)c1ccc(Br)cc1I 2026212981 WYIPZCJTGDCRDP-VXNVDRBHSA-N 472.946 4.100 50 10 JIGE C[C@@H]1C[C@@H]1N(CCBr)C(=O)c1ccc(I)c(Br)c1 2048215649 FYIKCEMITYAWFC-PELKAZGASA-N 486.973 4.299 50 10 JIGE O=C(N[C@@H]1C[C@H]2C[C@H]1C[C@H]2Cl)c1cc(I)ccc1Br 2104402237 KVAKKPHNUJHYBG-PTYMLPSESA-N 454.533 4.189 50 10 JIGE O=S(=O)(CCC(CCl)CCl)Nc1cc(Br)cc(Br)c1 2104644920 JDPWFURDABAAFI-UHFFFAOYSA-N 454.011 4.437 50 10 JIGE O=S1(=O)CC[C@@H](CC(CBr)(CBr)c2ccc(Br)cc2)C1 2148771650 UZCXWUHZRMGCNH-NSHDSACASA-N 489.067 4.302 50 10 JIGE O=C(c1ccc(F)cc1I)N1CC2(CCC2)C[C@@H]1CBr 2151515913 MKYHVBPZECBQIH-LLVKDONJSA-N 452.105 4.210 50 10 JIGE O=C(c1cc(Br)sc1Br)N1CCC2(CC1)C[C@@H](Br)CO2 2173171560 QGQZZTYPPZDDDJ-MRVPVSSYSA-N 488.039 4.432 50 10 JIGE C[C@@H]1CCN(S(=O)(=O)c2cc(CBr)ccc2F)CCN1Cc1ccccc1 2179788279 AISRRYCJAFHUFP-MRXNPFEDSA-N 455.393 4.006 50 10 JIGE C[C@@H](Br)c1cn(-c2ccc(Br)cc2I)nn1 2212574947 SVVUXBKLBLFRBP-ZCFIWIBFSA-N 456.907 4.090 50 10 JIGE CC[C@H](C)[C@H](CI)NC(=O)c1cc(C)ccc1I 2224023793 YGKFIUSOZDNXRD-GWCFXTLKSA-N 471.120 4.179 50 10 JIGE CC(C)(C)OC(=O)NCC[S@@](=O)(=NCCCCI)c1ccccc1 2248246969 KJJSTONINHCAJQ-DEOSSOPVSA-N 466.385 4.253 50 10 JIGE C=CC[C@]1(CBr)CCCN1C(=O)c1c(F)cccc1I 2287745102 MICZJFKTZZPVRJ-OAHLLOKOSA-N 452.105 4.376 50 10 JIGE O=S(=O)(N[C@@H](CCBr)COCc1ccccc1)c1cc(Cl)ccc1F 2320404238 FRNCPJLVPHWJRC-HNNXBMFYSA-N 450.757 4.128 50 10 JIGE CCOc1cccc(C=NNC(=O)c2ccc3nc(Cc4ccc(OC)cc4)[nH]c3c2)c1OC 2323720717 AFLRLTHTVHCVDD-UHFFFAOYSA-N 458.518 4.334 50 10 JIGE N#CC(=Cc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1 2329685173 ANYFSVKEKFZTIU-UHFFFAOYSA-N 474.329 4.130 50 10 JIGE CCC(CBr)(CBr)NC(=O)Cc1ccc(OC)cc1Br 2364176032 PESCKTZTXLIWLE-UHFFFAOYSA-N 472.015 4.055 50 10 JIGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)ccc1OC(=O)c1cccs1 3014114 XSQXBGNSAQFCAY-FQEVSTJZSA-N 472.478 4.300 50 10 JIGE Cc1ccc2nc(N(/N=C/c3ccco3)C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)sc2c1 9149291 QXMHAQHOJVRRPO-OEAKJJBVSA-N 468.560 4.129 50 10 JIGE O=C(NNc1ncnc(Nc2cccc(Cl)c2)c1[N+](=O)[O-])c1ccc(Br)cc1 40648617 WOXHTGIAMBAYBU-UHFFFAOYSA-N 463.679 4.301 50 10 JIGE O=C(CSc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)NNC(=O)C1CCC1 59844833 LPPLXMRVJSGZKO-UHFFFAOYSA-N 486.601 4.072 50 10 JIGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2)oc2c1/C(=N/NC(=O)c1ccccc1Cl)CCC2 101598875 PNEHBGQKJRCWKP-OVVQPSECSA-N 499.354 4.440 50 10 JIGE N#C/C(=C/NCc1ccc(F)cc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216503664 TVAPKYBLDJYRHJ-DAFNUICNSA-N 454.549 4.257 50 10 JIGE COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2ccc(Cl)cc2)cc(OC)c1OC 252632935 VYDWXPSVGKFSAK-UHFFFAOYSA-N 468.893 4.349 50 10 JIGE C[C@@H](CBr)[C@H]1CCCCN1C(=O)c1cccc(F)c1I 721696409 FQPBMOGQQHQPPD-GXFFZTMASA-N 454.121 4.456 50 10 JIGE CCOc1ccccc1N(CC(=O)NN=Cc1ccc(C)c(C)c1C)S(=O)(=O)c1ccccc1 725442357 JNQWBJUSQMPPHX-UHFFFAOYSA-N 479.602 4.356 50 10 JIGE O=C(NNc1ccc(F)c(F)c1F)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1 727759519 BERPKDQBNVTZEE-UHFFFAOYSA-N 461.465 4.002 50 10 JIGE Cc1cc(/C=C(/C#N)C(=O)NCCCNC(=O)c2cccs2)c(C)n1-c1ccc(F)cc1 748655605 BMVZDLFSVVYEMS-RGEXLXHISA-N 450.539 4.138 50 10 JIGE COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)O[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)c1C 853647639 BWTAIRAFXXZNAX-PVSFYRCESA-N 480.590 4.212 50 10 JIGE O=C(NN=C1C(=O)N(Cc2ccccc2F)c2ccccc21)c1ccc(Br)cc1 1083902714 VFUBMENETXKFFG-UHFFFAOYSA-N 452.283 4.269 50 10 JIGE C/C(=C\C(=O)NNc1ccccc1S(=O)(=O)NC(C)(C)C)c1ccccc1C(F)(F)F 1631072301 VLWPXABUMNYOMZ-BUHFOSPRSA-N 455.502 4.329 50 10 JIGE Cc1c(C(=O)N2CCCCC2)oc2c1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772747345 NPIDMYRZMXAWNY-UHFFFAOYSA-N 471.373 4.204 50 10 JIGE Cc1ccc(C)c(NC(=O)COc2cccnc2NC(=O)Oc2ccc([N+](=O)[O-])cc2F)c1 1858682883 OXMCSROMMFSDCZ-UHFFFAOYSA-N 454.414 4.374 50 10 JIGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2cccc(OC)c2OC)cc1 1865701358 UADWVZCWRBXXDQ-KRWDZBQOSA-N 472.423 4.135 50 10 JIGE COc1ccc(-c2nn(CC(C)C)c3c2[C@H](c2ccc(OC)c(OC)c2)C(C#N)=C(N)O3)cc1 1865708312 TYBYHPSHJSTLNH-JOCHJYFZSA-N 460.534 4.450 50 10 JIGE CN(C[C@H](Br)COCc1ccccc1)S(=O)(=O)c1ccc2c(c1)CCCC2 1916334367 FUPKNKHQKNFNBV-FQEVSTJZSA-N 452.414 4.166 50 10 JIGE Cn1cnc(CC(CBr)(CBr)c2ccccc2Br)c1 2095101765 NCFDSJNAYWLIJN-UHFFFAOYSA-N 451.000 4.453 50 10 JIGE C[C@](CBr)(NC(=O)c1ccc(I)c(Cl)c1)C(F)(F)F 2105102550 DBATZFNKMZCYRU-SNVBAGLBSA-N 470.454 4.390 50 10 JIGE O=C(c1csc(Br)c1Br)N1CCC[C@@H](OCCBr)C1 2113863354 FUPOCRYDKIJXPZ-MRVPVSSYSA-N 476.028 4.289 50 10 JIGE O=C(c1ccc(Br)cc1I)N1[C@H](CCl)[C@H]2CC[C@@H]1C2 2142277734 UALPBHXPEJYDEO-IYYTYJHQSA-N 454.533 4.286 50 10 JIGE C[C@H]1CN(Cc2ccccc2)[C@H](C)CN1S(=O)(=O)c1ccc(CCl)cc1Br 2152185168 TZMWXPVJVCJDAH-CVEARBPZSA-N 471.848 4.471 50 10 JIGE CC(C)(C)C[C@@H](CBr)CNC(=O)c1ccc(I)c(O)c1 2156325836 HTJPOAHFFUITNL-JTQLQIEISA-N 454.146 4.174 50 10 JIGE CC1(C)CO[C@@H](CBr)CN1C(=O)c1cc(Br)ccc1Br 2167530484 DHXPLSKZTGFEDD-JTQLQIEISA-N 469.999 4.226 50 10 JIGE COCC(C)(C)N(Cc1ccccc1)S(=O)(=O)c1ccc(CBr)cc1OC 2179853702 LDASURVPAXAJMR-UHFFFAOYSA-N 456.402 4.206 50 10 JIGE O=S(=O)(c1ccsc1CBr)N1CC[C@H]2CCN(Cc3ccccc3)C[C@@H]2C1 2179869858 DEFKDKCFUAOLTN-QZTJIDSGSA-N 469.470 4.176 50 10 JIGE Cc1ccc(I)c(C(=O)N2CCC(F)(F)[C@H](CBr)C2)c1 2240914398 NXXNERYQQXGNMP-SNVBAGLBSA-N 458.084 4.092 50 10 JIGE O=C(NC[C@H]1CC[C@H](CBr)CO1)c1cccc(Br)c1Br 2279404502 ZERFQUUXEMSOTN-NXEZZACHSA-N 469.999 4.132 50 10 JIGE Cc1cc(C=C(C#N)C(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)c(C)n1CCC(C)C 2297356696 MWPVQLGFCYLAOV-IBGZPJMESA-N 465.550 4.400 50 10 JIGE CCCCc1ccc(NC(=O)C(C#N)=Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)cc1 2297388088 DQZFAVSIKJUDID-IBGZPJMESA-N 460.987 4.093 50 10 JIGE CCN(C[C@@](C)(CI)OC[C@@H]1CCC[C@H](C)O1)C(=O)OC(C)(C)C 2301102302 IHXSDVZDLDJDBB-RLFYNMQTSA-N 455.377 4.411 50 10 JIGE CC(C)(CI)CN1C[C@H](CNC(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 2306818977 POSUDESZCPDKAQ-RYUDHWBXSA-N 464.310 4.083 50 10 JIGE COc1ccccc1C(C#N)=Cc1ccc(OC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 2320507253 ITPBTRQQAHTGQK-UHFFFAOYSA-N 462.527 4.229 50 10 JIGE COCCO[C@H]1[C@@H](Oc2cc(Br)cc(Br)c2)C[C@H]1Br 2338759218 WGKCCZVGKPFUOW-FRRDWIJNSA-N 458.972 4.158 50 10 JIGE C[C@@H]1CN(C(=O)c2ccc(Cl)cc2I)CC[C@@H]1CBr 2340068680 PYGJWZGHHBKENH-NXEZZACHSA-N 456.549 4.438 50 10 JIGE O=C(c1csc(I)c1)N1C[C@H]2CC(CBr)C[C@@H](C2)C1 2342568698 NJQCQFBGRYPELM-QWRGUYRKSA-N 454.171 4.236 50 10 JIGE CC(C)(C)OC(=O)N[C@@H]1CCN(C[C@]2(CBr)CC2(F)F)[C@@H](C(F)(F)F)C1 2351891966 YCTPVASFBIHKJN-JTNHKYCSSA-N 451.274 4.327 50 10 JIGE COC1(CBr)CCN(Cc2cc(I)ccc2Cl)CC1 2352418579 XQSSNLHNFKRPRF-UHFFFAOYSA-N 458.565 4.321 50 10 JIGE O=C(Cc1ccc(Br)c2ccccc12)N/N=C\c1ccc(I)o1 20071597 YFZFDCRWKPPQHQ-JMIUGGIZSA-N 483.103 4.493 50 10 JIGE O=C(CBr)c1cc(I)cc(OC(F)F)c1Br 575682442 QOCNBICZZRGNNE-UHFFFAOYSA-N 469.845 4.233 50 10 JIGE O=C(N[C@H](CBr)CC(F)F)c1ccc(I)c(Br)c1 721600356 AHICMJLOPDSIOD-ZETCQYMHSA-N 496.915 4.202 50 10 JIGE C[C@@H](OC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1)C(=O)Nc1ccc(F)cc1F 729344400 GHQQKZFHVFDWAI-YAJBTMAUSA-N 475.455 4.219 50 10 JIGE O=C(COc1ccc(Br)cc1Br)NN=Cc1cc([N+](=O)[O-])ccc1Cl 1084060455 HKPLHBKPLPGEPD-UHFFFAOYSA-N 491.523 4.302 50 10 JIGE CC(C)(C)[C@H]1CCc2sc(C(=O)NNC(=O)[C@@H]3CCCN3C(=O)c3cccs3)cc2C1 1087356434 HTCIESYEGWNFGF-HOTGVXAUSA-N 459.637 4.026 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccn2)[C@@H]1c1cc(Br)ccc1F 1865702119 NCCCEOVCANETGQ-CQSZACIVSA-N 480.219 4.406 50 10 JIGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1cc(OC)c(OC)cc1OC)C(C#N)=C(N)O2 1865711100 PSPCTAPJFIAFGG-DEOSSOPVSA-N 474.561 4.436 50 10 JIGE CSCC[C@H](NC(=O)[C@@H]1CCCN1Cc1ccccc1F)C(=O)Nc1ccc(SC#N)cc1 1866921061 XATLQKWRXXJXQJ-VXKWHMMOSA-N 486.638 4.240 50 10 JIGE CC[C@H](NC(=O)CCN(Cc1ccccn1)C(=O)OC(C)(C)C)C(=O)Nc1ccc(SC#N)cc1 1867081836 UMJVFORTVBAZAD-NRFANRHFSA-N 497.621 4.315 50 10 JIGE C[C@@H]1CCN(Cc2ccccc2)CCN1S(=O)(=O)c1cc(CCl)oc1Br 1885141964 FKKGBDHNJLXMME-CQSZACIVSA-N 461.809 4.066 50 10 JIGE C[C@@](CBr)(NC(=O)c1cc(I)ccc1Br)C(F)F 2043177494 VGZWPPCFJQBRFO-NSHDSACASA-N 496.915 4.202 50 10 JIGE CN(C[C@H]1C[C@@H](Br)C1)C(=O)c1ccc(I)c(Br)c1 2076220308 KMAVCFDSUKWXQS-WAAGHKOSSA-N 486.973 4.299 50 10 JIGE Fc1cc(-n2nc(CBr)c(I)c2C(F)(F)F)cc(F)n1 2078928911 GNQJXJVSLCVHQQ-UHFFFAOYSA-N 467.961 4.064 50 10 JIGE CC1(CBr)CC(NC(=O)c2ccc(Br)cc2I)C1 2086153539 LSIUTCUVDLYFLU-UHFFFAOYSA-N 486.973 4.347 50 10 JIGE O=C(c1cc(Br)c(Br)s1)N1CC2(C1)OCCC[C@H]2Br 2103414535 RNWTZBRHYPLJAT-SECBINFHSA-N 474.012 4.042 50 10 JIGE C[C@H]1CC[C@@H](CBr)N(S(=O)(=O)c2cc(Cl)c(Br)s2)C1 2110613124 RAAMYJVDXZHSDQ-YUMQZZPRSA-N 451.633 4.348 50 10 JIGE CC1(C)CCCN(C(=O)c2cccc(F)c2I)[C@@H]1CBr 2185814574 AZAYWEFSQHCIJH-GFCCVEGCSA-N 454.121 4.456 50 10 JIGE Cc1cccc(C(=O)N2[C@H]3CC[C@H]2[C@@H](F)[C@H](Br)C3)c1I 2190680011 TVWBERLEENNVIO-RYDUCSDGSA-N 452.105 4.078 50 10 JIGE BrC[C@@]12COC[C@@H]1CN(Cc1cc(Br)ccc1Br)C2 2226166052 FAKUVKDHPHFKNH-SMDDNHRTSA-N 454.000 4.055 50 10 JIGE O=C(c1cc(Br)c(Br)s1)N1C[C@@H]2CC[C@@H](CBr)O[C@@H]2C1 2289203688 JHUUVRKUUFBHMU-OYNCUSHFSA-N 488.039 4.288 50 10 JIGE FC(F)(CI)C(F)(F)CNCc1sccc1I 2301070312 BIWCHVRFDOQJMH-UHFFFAOYSA-N 493.045 4.148 50 10 JIGE COCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)C(C)=C(C#N)C1=O 2314618551 PKICVQCUGLFQPK-UHFFFAOYSA-N 472.932 4.431 50 10 JIGE COc1ccc(OC)c(NC=C(C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 2324599243 ABGKBYBHRXTEAW-UHFFFAOYSA-N 482.584 4.457 50 10 JIGE O=C(N[C@@H]1C[C@@H](CBr)[C@@H]2C[C@H]12)c1cc(Cl)ccc1I 2329877607 GKEMVELRTCACGJ-OEINEHKASA-N 454.533 4.094 50 10 JIGE NNC(=O)C1(CSc2cc(I)ccc2Br)CCCCC1 2363643053 HVIIQCLTKBPRIC-UHFFFAOYSA-N 469.186 4.086 50 10 JIGE C[C@@H](CCCCCI)NC(=O)c1cc(F)c(Br)cc1O 2364974301 AOZPAANWZGMGNC-VIFPVBQESA-N 458.109 4.408 50 10 JIGE COc1cnc(COc2c(Br)cc(CBr)cc2Br)nc1 2380344863 QKYXQVKNJUVJQY-UHFFFAOYSA-N 466.955 4.484 50 10 JIGE CC[C@@H](C)c1ccccc1O[C@@H](C)C(=O)NNC(=O)c1ccc(OC)c(I)c1 9872064 HPZADGLCOIHARV-KGLIPLIRSA-N 496.345 4.042 50 10 JIGE CC[C@@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 10295923 HVMBGDUBMOVPBS-QGZVFWFLSA-N 490.585 4.066 50 10 JIGE Cc1cc2c(cc1Br)NC(=O)/C2=N/NC(=O)c1ccc(NC(=O)c2ccccc2C)cc1 12578781 LBPLPCGKHBNMDA-UHFFFAOYSA-N 491.345 4.404 50 10 JIGE CC(C)COc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(-c2ccccc2)cc1 14035413 WSOUSTSPBLUFGC-UHFFFAOYSA-N 477.586 4.103 50 10 JIGE CC(C)CCOc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2OCC(C)C)cc1 14035439 AZRDHRZWNOAOPY-UHFFFAOYSA-N 457.596 4.096 50 10 JIGE CCCn1c(-c2ccc(C(=O)NNS(=O)(=O)c3ccc(C)cc3)s2)nc2ccccc21 35554282 XPOWLVLJJHSIHX-UHFFFAOYSA-N 454.577 4.107 50 10 JIGE Cc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2c1/C(=N/NC(=O)c1ccc(F)cc1)CCC2 40811978 RNQILZHUVUEHAR-MTDXEUNCSA-N 463.465 4.221 50 10 JIGE Cc1ccnc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cncc(Br)c2)CCC3)c1 40823136 KFYXPGUTXPVGOO-JVWAILMASA-N 482.338 4.172 50 10 JIGE CCc1nn2c(=O)cc(COc3ccc(/C=C(/C#N)C(=O)Nc4ccc(C)cc4)cc3)nc2s1 96484370 CGOOTRQLZJPSND-PDGQHHTCSA-N 471.542 4.147 50 10 JIGE Cc1oc(C(=O)NN)cc1COc1c(Br)cc(Br)cc1Br 110555203 HFRVKHBBOWWCKQ-UHFFFAOYSA-N 482.954 4.058 50 10 JIGE O=C(COc1ccccc1Cl)NN=C1C(=O)N(CCOc2ccc(Cl)cc2)c2ccccc21 245285100 VUOYZQQFMHRYSS-UHFFFAOYSA-N 484.339 4.318 50 10 JIGE Cc1cc(/C=C(\C#N)C(=O)OCC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)c(C)n1-c1ccc(F)cc1 728088215 FAGYVTQMWHBHBW-MLHZQLSASA-N 487.487 4.286 50 10 JIGE COc1ccc(C=NNC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)c(OC)c1 1083955985 OBUIWPLODIRCMK-UHFFFAOYSA-N 495.601 4.051 50 10 JIGE CCN(CC)c1ccc(C=NNC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)cc1 1084065070 GVTSFHWOGGNMPV-UHFFFAOYSA-N 492.645 4.495 50 10 JIGE COc1cc(C=NNC(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)ccc1O 1084154085 QYMASQWKBDQJLH-UHFFFAOYSA-N 468.307 4.180 50 10 JIGE C=C(C)[C@H]1OCC[C@H]1CNC(=O)NNC(=O)c1ccc(COc2ccc3ccccc3c2)cc1 1312615758 JBEQCWXLORMWOR-UKILVPOCSA-N 459.546 4.344 50 10 JIGE CCCc1nn(CC)c2c1[C@@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865701322 SGXCLLHLOKKEMG-AWEZNQCLSA-N 482.176 4.304 50 10 JIGE CC(C)(C)OC(=O)N(CCC(=O)NC(C)(C)C(=O)Nc1ccc(SC#N)cc1)Cc1cccnc1 1867086358 UVGXDWHIDPSIQI-UHFFFAOYSA-N 497.621 4.315 50 10 JIGE COC(CBr)(CBr)Cc1sccc1I 1888197703 CBNOEWNMVDTWFE-UHFFFAOYSA-N 453.965 4.070 50 10 JIGE O=C[C@@H](Cl)Cc1cc(Br)c(I)c(Br)c1 1931649292 CWPJEUCUAIJZPE-LURJTMIESA-N 452.311 4.165 50 10 JIGE CC(N)=C(C#N)C(=O)COC(=O)c1cc(-c2ccccc2)nc2ccc(Br)cc12 2040429125 QEDQUUKYOIARRJ-UHFFFAOYSA-N 450.292 4.146 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1C[C@H](Br)CC12CCC2 2099392880 SUSGWXKIXGYQQD-SNVBAGLBSA-N 454.533 4.477 50 10 JIGE CN([C@@H]1CN(Cc2ccccc2)C(C)(C)C1)S(=O)(=O)c1cc(CBr)cs1 2123230930 XKRXDQSHAJRAID-KRWDZBQOSA-N 457.459 4.317 50 10 JIGE O=C(c1cc(Br)sc1Br)N1CCO[C@@H]2C[C@@H](Br)C[C@H]21 2128867507 JAZOAFWPVURPJQ-NBEYISGCSA-N 474.012 4.040 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1CC(F)(F)C[C@@H]1CBr 2159049980 RFXLENREKPUENC-MRVPVSSYSA-N 497.981 4.005 50 10 JIGE CC1(C)C[C@H](CBr)CN(C(=O)c2ccc(F)cc2I)C1 2172585076 IWZIKRIVTWGRFK-SNVBAGLBSA-N 454.121 4.314 50 10 JIGE Cc1oc(C)c(S(=O)(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)c1CBr 2179787777 UBSGQXMEJZDSEG-GOSISDBHSA-N 455.418 4.076 50 10 JIGE CC1(C)CCN(Cc2ccccc2)CCN1S(=O)(=O)C1CCC(CBr)CC1 2239859203 VMBIMBNDQBWSFL-UHFFFAOYSA-N 457.478 4.256 50 10 JIGE CC(C)(CNC(=O)Cc1cc(Br)cc(Br)c1)OCCBr 2295316112 UJYZQFBPTMRKRN-UHFFFAOYSA-N 472.015 4.060 50 10 JIGE COC(=O)c1cc(NC=C(C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc(C(=O)OC)c1 2296580529 XMTHXDBKLTVZQZ-UHFFFAOYSA-N 487.493 4.466 50 10 JIGE COc1cc(OC)c(OC)cc1C=C1Oc2cc(OC(=O)C(Cl)Cl)cc(C)c2C1=O 2323763007 BKQNUHKFWRBMNV-UHFFFAOYSA-N 453.274 4.346 50 10 JIGE CC(C)(C)OC(=O)NCCCCCC(=O)NN=Cc1ccc(OCC(=O)Nc2ccccc2)cc1 2328835293 GGTYSKYSOMTNCZ-UHFFFAOYSA-N 482.581 4.239 50 10 JIGE CC(C)(C)OC(=O)N1CC[C@@H](C(F)(F)F)N(C[C@]2(CBr)CC2(F)F)CC1 2351884966 CBDBXIWOKHTMOF-SMDDNHRTSA-N 451.274 4.280 50 10 JIGE Clc1ccc(I)cc1CN1C[C@@H](Br)C[C@@]2(CCCO2)C1 2380526021 VBBJHRVKMGEPBQ-WFASDCNBSA-N 470.576 4.463 50 10 JIGE Cc1ccc(O[C@@H](C)C(=O)NNC(=S)NC(=O)c2sc3ccccc3c2Cl)cc1C 10153816 HOORWTDMMMZGDL-ZDUSSCGKSA-N 461.996 4.275 50 10 JIGE COc1cccc(C=NNC(=O)c2ccc(CN3c4cccc5cccc(c45)S3(=O)=O)cc2)c1 12483769 IVLZKOIWYRHCFO-UHFFFAOYSA-N 471.538 4.321 50 10 JIGE Cc1cc(Cl)ccc1OCC(=O)NNC(=S)NC(=O)c1ccc(-c2ccccc2)cc1 12500697 RWOHDQVMNKQCEY-UHFFFAOYSA-N 453.951 4.030 50 10 JIGE CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1 13922614 HYOFMDWNDCRXBU-CVKSISIWSA-N 451.910 4.407 50 10 JIGE O=C(COc1ccc(-c2ccccc2)cc1)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 13982181 HNFZWUJERWTSJC-UHFFFAOYSA-N 465.509 4.446 50 10 JIGE Cc1cc(Br)cc(C)c1O[C@@H](C)C(=O)NNC(=O)Cc1cccc2ccccc12 14643291 WFZHTKKDPQQCKB-INIZCTEOSA-N 455.352 4.377 50 10 JIGE CC(C)COc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc2ccccc2c1 14666925 TYVUEXOJSHKNNA-UHFFFAOYSA-N 471.351 4.477 50 10 JIGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)c1 38700983 QWZJRPWWZAXRCO-IZZNHLLZSA-N 484.508 4.439 50 10 JIGE O=C(NNc1ncnc(Nc2ncc(C(F)(F)F)cc2Cl)c1[N+](=O)[O-])c1ccccc1F 40658261 RDENVUYLGOPHDC-UHFFFAOYSA-N 471.758 4.092 50 10 JIGE COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1O 59305435 KZFRPELRTKQKSY-DNTJNYDQSA-N 468.101 4.436 50 10 JIGE O=S1(=O)CC[C@H]([C@@H](Br)c2cc(Br)sc2Br)C1 96846616 FYZXSNIVVQGPEV-YLWLKBPMSA-N 453.015 4.144 50 10 JIGE C=CCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C(C#N)=C\c2ccc(OCCC)cc2)c(OC)c1 97442058 MULWEZPXPRFATC-URBBLPHHSA-N 471.513 4.206 50 10 JIGE O=S1(=O)CC[C@H](C(CBr)(CBr)Cc2sccc2Br)C1 118669406 PIYKLWYDLAVFHP-VIFPVBQESA-N 495.096 4.264 50 10 JIGE CC[C@@H](CCBr)NS(=O)(=O)c1cc(Br)ccc1Br 134627331 CHXBMBPLBUDYDI-VIFPVBQESA-N 464.017 4.054 50 10 JIGE CCOC(=O)c1sc(NC(=O)NN=Cc2ccc(N(CC)CC)cc2)c(C(=O)OCC)c1C 256018537 PRXCMRIVXGVRIP-UHFFFAOYSA-N 474.583 4.412 50 10 JIGE CN(C[C@@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(CCl)oc1Br 720026804 SSPCIAZOBSWTBD-INIZCTEOSA-N 475.836 4.314 50 10 JIGE N#CCCn1cc(/C=C(\C#N)C(=O)OCC(=O)N2CCC[C@@H]3CCCC[C@@H]32)c(-c2ccccc2)n1 748916104 FQYUOKOZDAEXRC-DXKLWSLGSA-N 471.561 4.095 50 10 JIGE CCn1c(C)cc(C(=O)COC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)c1C 761380491 AGJHXJKDWOVDTJ-KGENOOAVSA-N 455.518 4.235 50 10 JIGE O=C(Cn1c2ccccc2c(=O)c2ccccc21)NN=Cc1cc(Br)cc(Cl)c1O 1084101068 ZMUGEFBLZJUHKN-UHFFFAOYSA-N 484.737 4.427 50 10 JIGE Cc1cc(/C=C(/C#N)C(=O)NCc2cccs2)c(C)n1-c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1084597834 DSTBPVJLKKLJPQ-MOSHPQCFSA-N 491.573 4.124 50 10 JIGE O=C(CCCN1C(=O)c2ccccc2C1=O)NNc1ccc(OCCOc2ccccc2Cl)cc1 1858080757 RRGNUIIMOOCDKL-UHFFFAOYSA-N 493.947 4.317 50 10 JIGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@H](c2ccc(O)cc2O)C(C#N)=C(N)O3)cc1 1865681822 XVCVMFKTTVQDRA-HSZRJFAPSA-N 484.487 4.375 50 10 JIGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@@H](c2ccc(OC)cc2)C(C#N)=C(N)O3)cc1 1865712869 JYVGYHVPDLGJAN-QFIPXVFZSA-N 451.486 4.170 50 10 JIGE CC[C@@H](NC(=O)C[C@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)Nc1ccc(SC#N)cc1 1866735585 LZMCCDJGUSXECG-LEWJYISDSA-N 465.575 4.448 50 10 JIGE CC[C@@H](NC(=O)c1sc(CNC(=O)OC(C)(C)C)nc1C)C(=O)Nc1ccc(SC#N)cc1 1867079432 GPFXTGSXFJELDV-MRXNPFEDSA-N 489.623 4.197 50 10 JIGE CC(C)[C@@H](CBr)N(C)c1ncc(I)cc1Br 1902090045 JBJZENNBEMVYIV-SNVBAGLBSA-N 461.967 4.304 50 10 JIGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1cccc(I)c1 1902796782 REPVIBSHOFNAMP-KRWDZBQOSA-N 488.163 4.391 50 10 JIGE O=C(c1cccc(Br)c1Br)N1C[C@H]2CC[C@@]2(CBr)C1 1903936121 ZLDILESPXKPHOA-YMTOWFKASA-N 451.984 4.459 50 10 JIGE CC[C@H](C)[C@H](CI)NC(=O)c1cccc(F)c1I 2081239507 SVTPWWBSMOYEGM-KWQFWETISA-N 475.083 4.010 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@@H]2C[C@@H](CCl)[C@@H]2C1 2117684658 VYRWHKGFHYKQHV-AUTRQRHGSA-N 454.533 4.001 50 10 JIGE O=C(NC[C@H](Br)CC(F)(F)F)c1cc(Cl)ccc1I 2119066684 XTNGIDOEDXXJDO-ZCFIWIBFSA-N 470.454 4.390 50 10 JIGE O=C(N[C@@H]1CC[C@@H]2C[C@@]21CBr)c1ccc(I)c(Br)c1 2132106087 KFSWHTSZBFFQFN-GAJTVXKRSA-N 498.984 4.347 50 10 JIGE Brc1ccc(Br)c(CN2C[C@H]3COC[C@@H](C2)[C@@H]3Br)c1 2132548986 ZFAAQQPQUZMXPQ-YABSGUDNSA-N 454.000 4.053 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CC[C@@H](CCl)C12CC2 2142278295 BALWWVKZKOWXCC-VIFPVBQESA-N 454.533 4.287 50 10 JIGE CO[C@@H]1CC(O[C@@H](CI)c2cccc(Br)c2)C[C@H]1OC 2166423573 YCORJWHSAQDNLG-KFWWJZLASA-N 455.130 4.134 50 10 JIGE Cn1cc([C@H](Br)c2cc3nc(O)[nH]c3cc2Br)c(Br)n1 2173183735 RKGWYZAWJKLGCK-SNVBAGLBSA-N 464.943 4.011 50 10 JIGE CCOc1ccc(S(=O)(=O)N(C)CCCOCc2ccccc2)cc1CBr 2179830355 KKIVVCMHLAQWRA-UHFFFAOYSA-N 456.402 4.208 50 10 JIGE Cc1cc(S(=O)(=O)N2CCC(OCc3ccccc3)CC2)cc(CBr)c1F 2179862549 XYBFKWITAQOIHY-UHFFFAOYSA-N 456.377 4.399 50 10 JIGE C[C@@H](Br)C[C@@H]1COCCN1C(=O)c1cc(Br)ccc1Br 2185319787 SGSCKZMWLOOYAE-MWLCHTKSSA-N 469.999 4.226 50 10 JIGE O=C(N[C@@H]1COC2(CCC2)[C@H]1Br)c1cc(Br)cc(Br)c1 2206488040 XXBXURPGGJCEGF-NEPJUHHUSA-N 467.983 4.026 50 10 JIGE C#CC[C@@](C)(CBr)CNC(=O)Cc1cc(Br)cc(Br)c1 2295313889 QIHDOYCDQCJZHC-HNNXBMFYSA-N 466.011 4.295 50 10 JIGE CC(C)c1ccc(C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)cc1 2295482925 BWAJZHYWJAEDJC-UHFFFAOYSA-N 455.514 4.460 50 10 JIGE CCCN(CCOCCI)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 2326653655 JBHXCVBCNXTMNE-SJPCQFCGSA-N 466.404 4.081 50 10 JIGE CCCOc1ccc(C=NNC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1OCC 2328796784 KZLSXPOYVDMSGW-NRFANRHFSA-N 469.582 4.460 50 10 JIGE O=C(N[C@H]1C[C@@H](CBr)[C@H]2C[C@H]12)c1cc(Br)ccc1I 2329870043 LEUOQXAPKXVTBC-DTITTZBUSA-N 498.984 4.203 50 10 JIGE COC(=O)c1c(NC(=O)C=Cc2cc(OC)c(OC)c(OC)c2)sc(C(C)=CC#N)c1C 2331560194 FPSRYTFERNWVJO-UHFFFAOYSA-N 456.520 4.448 50 10 JIGE COCCN(C)C[C@H](Br)CCc1ccc(Cl)cc1I 2341041158 KHTKRKWVUZFGRF-GFCCVEGCSA-N 460.581 4.219 50 10 JIGE O=S(=O)(c1csc(CBr)c1)N1CCc2scc(Br)c2C1 2361646438 RPJQTRWBZWAHFJ-UHFFFAOYSA-N 457.234 4.214 50 10 JIGE C[C@H]1CCCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)[C@@H]1CCBr 2364209920 XHYADQIGCRNISY-FXAWDEMLSA-N 499.471 4.058 50 10 JIGE Cc1ccc(O[C@H](C)C(=O)NNC(=O)[C@H](C)Oc2c(C)cc(Br)cc2C)cc1C 10153136 XAJPRYWXIMEDTJ-SJORKVTESA-N 463.372 4.065 50 10 JIGE CC(=O)Nc1ccc(NC(=O)COC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(F)cc3)c2C)cc1 11459387 IAYSSEJPRJHNBJ-DEDYPNTBSA-N 474.492 4.281 50 10 JIGE O=C(COc1ccc(Br)cc1Br)N/N=C/c1cc([N+](=O)[O-])ccc1Cl 12583793 HKPLHBKPLPGEPD-FBCYGCLPSA-N 491.523 4.302 50 10 JIGE CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(OCC(C)C)cc2)cc1 14037319 RLGDWQXLSCIPMG-UHFFFAOYSA-N 457.596 4.096 50 10 JIGE Cc1ccc(OCC(=O)NNC(=O)c2cc(Br)ccc2OCCc2ccccc2)cc1 14665549 LNHCFEBYROHEGO-UHFFFAOYSA-N 483.362 4.219 50 10 JIGE COc1cc(/C=N/NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc(Br)c1O 40960267 JFXNVJMLIZIKHS-AMLNBPPMSA-N 455.736 4.351 50 10 JIGE O=C(Cn1c(C(F)(F)F)nc2ccccc21)N/N=C/c1cc(Br)cc(Cl)c1O 59181301 VPNRDFNJCVGWBG-HCGXMYGOSA-N 475.652 4.327 50 10 JIGE FC(F)(F)Oc1c(CBr)ncc(Br)c1I 396167241 ZINWTGXRBADMGJ-UHFFFAOYSA-N 460.813 4.242 50 10 JIGE N#CCCn1cc(/C=C(/C#N)C(=O)NCCCNC(=O)c2cccs2)c(-c2ccc(Cl)cc2)n1 748656364 GUGVMFNCOUIPJN-JXAWBTAJSA-N 492.992 4.022 50 10 JIGE Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)c(C)n1-c1ccc(F)cc1 912927113 BBQWDGRTGYAOIL-KGENOOAVSA-N 470.504 4.428 50 10 JIGE Cc1cc(C=NNC(=O)c2ccc(CN3CCOCC3)cc2)c(C)n1-c1cccc(Cl)c1 1083933219 MWCGNRHKXDNRCX-UHFFFAOYSA-N 450.970 4.344 50 10 JIGE Cc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)N3CCN(c4ccccc4)CC3)c(C)c21 1772744278 VKUMRGWXXHCKRX-UHFFFAOYSA-N 470.573 4.329 50 10 JIGE COc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccccn1)CCC2 1772747314 OBIUXKZBKDNHOF-UHFFFAOYSA-N 452.898 4.368 50 10 JIGE Cc1c(C(=O)NNC(=O)Cc2ccccc2)oc2c1C(=NNC(=O)c1cccc3ccccc13)CCC2 1772747440 HYHCVTOHVVGGSR-UHFFFAOYSA-N 494.551 4.215 50 10 JIGE O=C(NNc1ccc(OCCOc2ccc(Cl)cc2)cc1)C1CCN(C(=O)C(F)(F)F)CC1 1858080764 SOKUNWGJAIRLFG-UHFFFAOYSA-N 485.890 4.042 50 10 JIGE C[C@@H](C(=O)NNC(=O)c1ccc(-c2ccc3ccccc3c2)s1)N1C(=O)c2ccccc2C1=O 1860391503 KUDRTMOJHGLZMY-HNNXBMFYSA-N 469.522 4.014 50 10 JIGE CSCC[C@H](NC(=O)c1cc(C)n(-c2ccccc2)n1)C(=O)Nc1ccc(SC#N)cc1 1866840765 SSXMUFMYTQTZBB-FQEVSTJZSA-N 465.604 4.244 50 10 JIGE CC1([C@@H](Br)c2cc(Br)sc2Br)CS(=O)(=O)C1 1938938012 CSWXDPYSUURTAB-ZETCQYMHSA-N 453.015 4.144 50 10 JIGE Cc1nc(I)c(I)n1-c1ccc(F)cc1CCl 1941550004 BICRCSFXWDSIKQ-UHFFFAOYSA-N 476.458 4.268 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CN(Cc2ccccc2)[C@@]2(CCCOC2)C1 2061261621 BGZIGUIJRXLTDP-URXFXBBRSA-N 481.728 4.306 50 10 JIGE CCN1CCC[C@@H]([C@@H](Cl)c2cc(Br)c(Br)s2)S1(=O)=O 2089515301 PYRQAFHRFXPBLU-UWVGGRQHSA-N 451.633 4.367 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1C[C@@H]2C[C@H](CBr)[C@@H]2C1 2117688513 HQNNFVDICSBJHR-VWYCJHECSA-N 454.533 4.048 50 10 JIGE O=C(Cc1ccccc1I)N[C@H](CBr)c1ccsc1 2119052786 CGWYOLUENFGHCG-CYBMUJFWSA-N 450.139 4.148 50 10 JIGE O=C(N[C@@H](CBr)CC1CCCCC1)c1cc(I)sn1 2120033550 TTWCUGIIVNNFSU-SNVBAGLBSA-N 457.175 4.211 50 10 JIGE ClCc1cc(N2CCC[C@@]3(CN(Cc4ccccc4)CCO3)C2)ncc1Br 2151750783 AEVNPCBAMJBBMI-OAQYLSRUSA-N 450.808 4.454 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2C[C@H](CBr)C[C@@H]2C)cc1Br 2156539691 PEVJQWDPQFZIHJ-UWVGGRQHSA-N 490.055 4.314 50 10 JIGE CC[C@H](Br)[C@@H]1CCCCN1C(=O)c1ccc(I)c(O)c1 2170612107 GQFLJMZUXHKUNU-AAEUAGOBSA-N 452.130 4.165 50 10 JIGE CC(C)(C)[C@@H]1[C@H](Br)CCN1C(=O)c1cccc(F)c1I 2185103054 LMEOGLOFEYSBIJ-MFKMUULPSA-N 454.121 4.454 50 10 JIGE Cn1cc([C@H](Br)c2ccc3c(c2Br)CCO3)c(Br)n1 2229739761 RPIPTZUKBZYZQI-GFCCVEGCSA-N 450.956 4.364 50 10 JIGE C[C@@H](Br)[C@H]1CCN(C(=O)Cc2cc(Br)cc(Br)c2)C1 2277936296 VEUPWBWWCPAQGD-KOLCDFICSA-N 454.000 4.386 50 10 JIGE Cc1ccc(C(=O)NNC(=O)CCCCCN2C(=O)C(=Cc3cccs3)SC2=S)cc1 2296882308 OBWCHRZVVCSRJF-UHFFFAOYSA-N 473.645 4.279 50 10 JIGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)C=Cc2ccc(OCC)cc2)cc1 2313892295 QAQOWYZPURABSK-UHFFFAOYSA-N 469.607 4.393 50 10 JIGE O=S(=O)(N[C@H](CCCl)COCc1ccccc1)c1ccc(Br)cc1F 2320663257 PLORLMZMCHYOAG-OAHLLOKOSA-N 450.757 4.081 50 10 JIGE O=C(c1cc(I)ccc1Br)N1[C@H]2CC[C@@H]1[C@H](CCl)C2 2329070937 HNFJBXQGWHYYGT-GMOODISLSA-N 454.533 4.286 50 10 JIGE C[C@H](Cl)CN1CCCN(Cc2ccc(I)c(Br)c2)CC1 2377313344 IIRXYJRSKAHOEI-LBPRGKRZSA-N 471.608 4.189 50 10 JIGE O=C(CCc1ccccc1Cl)NC(=S)NNC(=O)c1sc2ccccc2c1Cl 10460245 DRTBHXGNAVDXFX-UHFFFAOYSA-N 452.388 4.476 50 10 JIGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)COc1ccc(Br)cc1Cl 13977979 LYAUZSBXMUKCQZ-VIFPVBQESA-N 496.572 4.403 50 10 JIGE C/C(=N/NC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)c1cccnc1 16136612 SKUYYXOTSTUMEV-NTFVMDSBSA-N 489.626 4.354 50 10 JIGE CCCOC(=O)CSC1=C(C#N)[C@@H](c2cccnc2)C(C(=O)Nc2ccccc2C)=C(C)N1 19595528 CVBIILDOLLOMMG-HSZRJFAPSA-N 462.575 4.411 50 10 JIGE CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc(C)cc(Cn2ccc(C(F)(F)F)n2)c1C 20069289 YTPPHJKHYSJOAH-FQEVSTJZSA-N 460.456 4.212 50 10 JIGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)cc1 38683512 VKWDBXXTBKTKQJ-MYYSRTQBSA-N 488.471 4.203 50 10 JIGE Cc1nn(Cc2ccccc2Cl)c(C)c1/C=N/NC(=O)c1cc(Br)ccc1O 59165310 OCSPJEUUTXINKU-AUEPDCJTSA-N 461.747 4.434 50 10 JIGE C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(OC)c1OCC(=O)O 59304009 XROKRXAUPNIGRP-BHGWPJFGSA-N 487.306 4.160 50 10 JIGE CCC(C)(C)C(=O)O[C@@H]1C[C@](C)(OO)C=C2C=C[C@H](C)[C@H](CC[C@H]3C[C@@H](O)CC(=O)O3)[C@H]21 97978327 FOGQBCWWWLNSOK-NYWZFENOSA-N 450.572 4.198 50 10 JIGE CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)NN=Cc1ccc(Br)cc1 254875657 CAJDQAJAJCTMFB-UHFFFAOYSA-N 486.391 4.179 50 10 JIGE Cc1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)cc1N 382716086 KJEHRUWRIMGHRW-ZWKOTPCHSA-N 450.320 4.364 50 10 JIGE O=C(NN=Cc1cc([N+](=O)[O-])ccc1O)c1ccc(OCc2ccc(Br)cc2)cc1 1081086655 HEBBZPLHCOSTGL-UHFFFAOYSA-N 470.279 4.406 50 10 JIGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3c(C)cccc3C)S(C)(=O)=O)c2C)cc1C 1084203422 OMHCBDSVFVSFGE-UHFFFAOYSA-N 480.634 4.244 50 10 JIGE O=C(COc1ccc(-c2ccccc2)cc1Br)NN=Cc1ccc(C(=O)O)cc1 1772754429 VMECEIQFHZIWKQ-UHFFFAOYSA-N 453.292 4.343 50 10 JIGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@H](c2cc(C)ccc2O)C(C#N)=C(N)O3)cc1 1865687748 ZIBCWTJCDYJHGU-JOCHJYFZSA-N 451.486 4.175 50 10 JIGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1cc(OC)c(OC)cc1OC)C(C#N)=C(N)O2 1865710726 GIXUHFHZFXMAJY-HSZRJFAPSA-N 476.533 4.077 50 10 JIGE Cc1ccc(SCCCC(=O)NNC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)cc1 1865852341 TVSSJAHDQQSMKQ-UHFFFAOYSA-N 492.626 4.153 50 10 JIGE O=C(N[C@@H]1CC[C@@H](CBr)C1)c1cc(Br)ccc1I 2029539130 YWXORFFYEFFTHY-PSASIEDQSA-N 486.973 4.347 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@H](CCl)C2(CC2)C1 2087794169 CUUPNPMFOUFOKJ-VIFPVBQESA-N 454.533 4.145 50 10 JIGE O=C(NC[C@]1(F)CC[C@H](CBr)CC1)c1csc(I)c1 2122083452 VUYXXYNFXDQKIC-GMZHKTEUSA-N 460.150 4.376 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CC[C@H](CCl)C(F)(F)C1 2146379680 SQLCECKOVIBYML-SECBINFHSA-N 478.502 4.390 50 10 JIGE CC(C)(CBr)[C@H]1CCCN1C(=O)Cc1ccccc1I 2155832851 UQXLDQKPMSDKOK-CQSZACIVSA-N 450.158 4.246 50 10 JIGE Cc1cc(CBr)ccc1S(=O)(=O)N1CCC[C@H](N(C)Cc2ccccc2)C1 2179790435 DTKMRQQMCXYCCZ-FQEVSTJZSA-N 451.430 4.175 50 10 JIGE C#CC[C@](C)(CBr)CNC(=O)c1ccc(Cl)c(I)c1 2268347081 AMMFNSXOGGEODL-CQSZACIVSA-N 454.533 4.099 50 10 JIGE CN(CC1CC(Br)C1)C(=O)Cc1cc(Br)cc(Br)c1 2277933213 QBBZTRFMLGWVIT-UHFFFAOYSA-N 454.000 4.386 50 10 JIGE CCN(CC)C(=O)COc1ccc(C=NNC(=O)c2ccc(-c3cccc(OC)c3)nc2C)cc1 2321239378 PBILCTSICNJHBI-UHFFFAOYSA-N 474.561 4.077 50 10 JIGE CCN(CC)Cc1ccc(C=NNC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)cc1 2325903981 UVAUUTCIHFWUPR-UHFFFAOYSA-N 473.602 4.117 50 10 JIGE O=C(c1cc(Br)ccc1Br)N1CC[C@@H]2[C@H](C1)[C@@H]2CBr 2333117688 QJNKSRVWAXYEMS-WCQGTBRESA-N 451.984 4.315 50 10 JIGE CC1(C)CN(C(=O)c2ccc(Cl)cc2I)C[C@H]1CBr 2340063811 BLVLNOKKYLLNGJ-SECBINFHSA-N 456.549 4.438 50 10 JIGE Cc1c(CBr)cccc1NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364204946 IAYYEXFAJQIQIB-UHFFFAOYSA-N 493.423 4.488 50 10 JIGE COC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1ccc(OC)c(OC(=O)c2ccccc2)c1 1439554 YEEJSSISKOGNPG-RGEXLXHISA-N 456.454 4.247 50 10 JIGE Cc1cc(I)ccc1NC(=O)CCC(=O)N/N=C/c1ccccc1Cl 1960452 ZBSAUOYUCRFIAM-SRZZPIQSSA-N 469.710 4.122 50 10 JIGE CC[C@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc([C@@H](C)CC)cc2)c1 10672191 UOYACHYIHXLURK-IRXDYDNUSA-N 457.596 4.092 50 10 JIGE COc1ccc(CCNC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(C)cc2)CCC3)cc1OC 40804507 BBSVRLCWGMPTOY-MWAVMZGNSA-N 489.572 4.357 50 10 JIGE Cc1c(C(=O)Nc2ccc(F)cc2F)oc2c1/C(=N/NC(=O)COc1ccccc1)CCC2 40816206 MYWHUGRJGBVUED-TURZUDJPSA-N 453.445 4.354 50 10 JIGE O=C(COc1ccc(-c2ccccc2)cc1Br)N/N=C/c1ccc(O)c([N+](=O)[O-])c1 40910414 JSNLRTYXTDBVLJ-FSJBWODESA-N 470.279 4.259 50 10 JIGE O=c1[nH]c2cc(Br)c([C@H](Br)c3ccc(Br)o3)cc2[nH]1 52095158 KEPJPONELJJZQP-NSHDSACASA-N 450.912 4.459 50 10 JIGE O=C(CCCSc1nnc(CCc2ccccc2)n1-c1ccccc1)N/N=C/c1cccnc1 58989734 IDSJOKDNGVECDD-VFCFBJKWSA-N 470.602 4.470 50 10 JIGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\Nc3ccc(Br)cc3)C2=O)cc1OC 101232605 QBPIACUKBFHQCX-XSFVSMFZSA-N 496.361 4.214 50 10 JIGE CCOc1ccc(N2C(=O)[C@H](Cc3cccc(C(F)(F)F)c3)S/C2=C(/C#N)C(=O)NC)cc1 101240665 PJVBHIIECAQWEA-ODXGNSPJSA-N 475.492 4.276 50 10 JIGE Cc1ccc(C)c2c1NC(=O)/C2=N\NC(=O)/C(=C/C=C/c1ccccc1)NC(=O)c1ccccc1 103315497 LYNFSQAJXRVZSL-SQACLZPZSA-N 464.525 4.103 50 10 JIGE CCOc1cc(/C=N\NC(=O)c2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)cc([N+](=O)[O-])c1OC 169891326 NGTLXYNXKDQFHR-VLKICEKPSA-N 450.495 4.372 50 10 JIGE CCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)N3CCOCC3)cc2OC)cc1 207192960 SGLRWQOIHWSBEW-JLCOLKDBSA-N 490.556 4.259 50 10 JIGE N#C/C(=C/Nc1ccc2c(c1)OCO2)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216505344 XAXIUYMLJIUBGW-NMWGTECJSA-N 466.541 4.168 50 10 JIGE CC(C)[C@@H](CI)NC(=O)c1ccc(I)c(Cl)c1 232700388 SUGHETANNZCHOX-LLVKDONJSA-N 477.511 4.134 50 10 JIGE C[C@@H](Sc1nnc(C23CC4CC(CC(C4)C2)C3)n1-c1ccccc1)C(=O)NNC(=O)C1CCC1 253573422 RKCKKNBRSGQROG-KRGUIMPISA-N 479.650 4.163 50 10 JIGE O=C(NN=Cc1c(F)c(F)c(F)c(F)c1F)c1ccc(NS(=O)(=O)c2cccs2)cc1 254011710 IAONEQOVWVPUEB-UHFFFAOYSA-N 475.420 4.008 50 10 JIGE CCOc1ccc(C=NNC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)cc1OC 254598282 RVACTQYNKHLDAF-JMQVHHKOSA-N 486.572 4.081 50 10 JIGE Cc1ccccc1C(=O)NCC(=O)NN=Cc1ccc(OC(=O)c2cccc3ccccc23)cc1 254815513 DRABGPHBLKEBON-UHFFFAOYSA-N 465.509 4.248 50 10 JIGE O=S1(=O)CC[C@H](C(CBr)(CBr)CCCOCc2ccccc2)C1 382009326 TYJGOLVRUWPYOU-INIZCTEOSA-N 468.251 4.194 50 10 JIGE O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)NN=Cc1cc2ccccc2nc1Cl 725443171 CTWLRVBKMWMQCB-UHFFFAOYSA-N 496.951 4.373 50 10 JIGE CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@](C)(C(=O)OC)c2cccc(Br)c2)c1C 730990933 CPZMYKHCNFIADG-SJQUQUAPSA-N 472.383 4.389 50 10 JIGE Cn1cc(C(=O)NNC(=O)NC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c2ccccc21 731358329 OGGKZELDJFVWSS-UHFFFAOYSA-N 474.392 4.094 50 10 JIGE Cc1ccc(S(=O)(=O)Oc2ccccc2C=NNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 1084077579 PPJWABINABFVGX-UHFFFAOYSA-N 452.576 4.429 50 10 JIGE Cc1c(C(=O)NNC(C)(C)C)oc2c1C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772745694 IBODFIGHICRIAN-UHFFFAOYSA-N 451.354 4.398 50 10 JIGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)c(Cl)c2)cc1O 1865682222 JBRBJRRDYIGETF-FQEVSTJZSA-N 457.317 4.479 50 10 JIGE CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1cc(OC)c(OC)c(OC)c1)C(C#N)=C(N)O2 1865693789 YZDUQWIUJMWPQF-QFIPXVFZSA-N 460.534 4.377 50 10 JIGE N#C/C(=C\c1cccc(Br)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 1866131994 XCYGAMPLYRYSNH-FOWTUZBSSA-N 483.347 4.191 50 10 JIGE CC[C@](C)(NC(=O)c1ccc2c(c1)C(=O)N(CCC(C)C)C2=O)C(=O)Nc1ccc(SC#N)cc1 1866620227 XFOVFUVQIMRSNW-SANMLTNESA-N 492.601 4.439 50 10 JIGE CC(C)C[C@@H](C(=O)NN(Cc1ccccc1)Cc1ccccc1)N1C(=O)c2ccccc2C1=O 1923417316 RQHSFKGXNGWOPQ-VWLOTQADSA-N 455.558 4.431 50 10 JIGE CN(CCN(Cc1ccccc1)Cc1cc(Br)cc(C(=O)NN)c1)Cc1ccccc1 1946908363 YDUHPCQZXGITQX-UHFFFAOYSA-N 481.438 4.187 50 10 JIGE CC[C@H](CCCBr)NS(=O)(=O)c1cc(Br)ccc1Br 2097769781 KAWMZENYNJXKLC-SNVBAGLBSA-N 478.044 4.444 50 10 JIGE C[C@@H]1CN(S(=O)(=O)c2ccc(CBr)cc2)C[C@@H](C)N1C(=O)OCc1ccccc1 2106779425 OBDUIWBSJPLHSQ-IAGOWNOFSA-N 481.412 4.002 50 10 JIGE Cn1c(=O)n(C)c2cc([C@H](Br)C3(Br)CC3)c(Br)cc21 2111889459 DUBPULRLXMRHLG-NSHDSACASA-N 452.972 4.003 50 10 JIGE CN(C(=O)c1ccc(I)cc1)[C@@H](CCBr)C(F)(F)F 2122000480 IEJXEMMIOSAVBP-JTQLQIEISA-N 450.036 4.079 50 10 JIGE O=C(c1cc(Br)sc1Br)N1C[C@@H](CBr)OC2(CCC2)C1 2165768877 RXXWOJKGYNTQJG-MRVPVSSYSA-N 488.039 4.432 50 10 JIGE CCn1ncc(CC(CBr)(CBr)c2ccccc2Br)n1 2172441259 QNACKPZDTHZPIS-UHFFFAOYSA-N 466.015 4.331 50 10 JIGE CC(C)[S@](=O)(=NC(=O)[C@@H](Br)C1CCCC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2183216884 SHSDNEWTYGHTKU-IHULAWBXSA-N 465.454 4.353 50 10 JIGE O=C(c1scc(Br)c1Br)N1CCO[C@@H]2C[C@H](CBr)C[C@@H]21 2199777328 NKSIQQWRGBGION-FKTZTGRPSA-N 488.039 4.288 50 10 JIGE O=C(c1ccc(I)c(O)c1)N1CCCC[C@H]1CCCBr 2206674926 NGQJPHWFVXCSOI-LBPRGKRZSA-N 452.130 4.167 50 10 JIGE CC(C)(C)OC(=O)NC[C@@H]1CC[S@@](=O)(=NCCCCCI)C1(C)C 2214710880 DKAVNHKQHUWPMF-BSEYFRJRSA-N 472.433 4.383 50 10 JIGE COc1cc(C[C@H](Br)CN2C(=O)c3ccccc3C2=O)ccc1Br 2241463971 SGNOGRYELAFFIQ-LBPRGKRZSA-N 453.130 4.060 50 10 JIGE O=C(CCNC(=O)OCC1c2ccccc2-c2ccccc21)NCC1CC(Br)C1 2241635421 ASVFMHUDRAKWFX-UHFFFAOYSA-N 457.368 4.205 50 10 JIGE COc1ccc([C@H](Cl)c2c(Br)c(C)nn2C)cc1I 2269550510 ILLKFMPJCOMDEQ-LBPRGKRZSA-N 455.521 4.432 50 10 JIGE Cc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccc(C(=O)O)cc1 2313545949 QXENWBHVPJZGOE-UHFFFAOYSA-N 454.530 4.048 50 10 JIGE CCOc1cc(C=NNC(=O)c2ccc3nc(-c4ccccc4)[nH]c3c2)cc([N+](=O)[O-])c1OC 2323744693 YWEFKDKKSNUDFB-UHFFFAOYSA-N 459.462 4.309 50 10 JIGE O=S(=O)(c1ccc(CBr)s1)N1CCc2scc(Br)c2C1 2361634908 JQFIWWKZMCDDKO-UHFFFAOYSA-N 457.234 4.214 50 10 JIGE CNC(=O)/C(C#N)=C1/S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(Br)cc1 2888354 SJXYTMDGBBUKJR-PBEQFFAXSA-N 476.783 4.275 50 10 JIGE CC[C@H](Oc1ccccc1[C@H](C)CC)C(=O)NNC(=O)c1ccccc1I 10682119 BIQRUZRWORFSHI-KDOFPFPSSA-N 480.346 4.423 50 10 JIGE CC(C)COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(Cl)cc1 14667349 FRMHXKNKOVSRPB-UHFFFAOYSA-N 484.803 4.087 50 10 JIGE CCc1ccc(OCC(=O)NNC(=O)COc2ccc([C@H](C)CC)cc2Br)cc1 14832307 JOYJBFISWKULKT-OAHLLOKOSA-N 463.372 4.130 50 10 JIGE COc1cc(/C=C(\C#N)C(=O)NC(C)C)ccc1OC(=O)COc1ccccc1C(C)(C)C 40878745 PYGQYNNDICXRSS-CPNJWEJPSA-N 450.535 4.409 50 10 JIGE CCc1ccccc1Nc1nc(N)nc(CO/C(=C(/C#N)c2nnc3n2CCCCC3)C(F)(F)F)n1 96514163 COTIOCWVBSXMBM-CYVLTUHYSA-N 499.501 4.091 50 10 JIGE C[C@@H]1CN(S(=O)(=O)c2cc(Br)ccc2Br)CC[C@H]1Br 253193969 OXVWXJYNZYPKDW-PSASIEDQSA-N 476.028 4.006 50 10 JIGE CCOc1cc(C=NNC(=O)CNc2ccccc2C)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 254391606 MTFALGJMSSXEMB-UHFFFAOYSA-N 476.489 4.083 50 10 JIGE CC(=NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1ccc(C#N)cc1 254702771 FVWFSNLKRWKEAM-UHFFFAOYSA-N 452.923 4.166 50 10 JIGE COc1cc2c(cc1NC(=O)CC(C)=NNC(=O)C(=O)Nc1ccccc1C)oc1ccccc12 254721271 FNCPZFGLLYJDHQ-UHFFFAOYSA-N 472.501 4.362 50 10 JIGE CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=C/C=C/c2ccccc2[N+](=O)[O-])cc1 254739578 NVCOIDATNUUVPI-GXAGGCSWSA-N 483.528 4.247 50 10 JIGE C[C@@H](Br)C[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)c(Br)s1 387963511 RUDPTSVYKCFGKM-SFYZADRCSA-N 451.633 4.491 50 10 JIGE COc1ccc(-c2nn(-c3ccccc3)cc2CC(=O)NNC(=O)c2ccc(Cl)cc2)cc1 750840096 LUTVECNYYRWNAC-UHFFFAOYSA-N 460.921 4.205 50 10 JIGE O=C(NN=Cc1cccc(Br)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1 1084204212 COHANYPXRMAGRD-UHFFFAOYSA-N 452.308 4.117 50 10 JIGE C#C[C@H](NC(=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1)c1ccc(Cl)cc1 1683502568 POYKGIQDRRCATD-NRFANRHFSA-N 451.885 4.377 50 10 JIGE Cc1c(C(=O)NC2CCCCC2)oc2c1C(=NNC(=O)c1cncc(Br)c1)CCC2 1772747481 OZFYRYKZJMEMKA-UHFFFAOYSA-N 473.371 4.278 50 10 JIGE COCCCNC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772748535 ZBXOAMPEHGLVRG-UHFFFAOYSA-N 459.546 4.492 50 10 JIGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)c(OC)c1 1865708144 PHFLEGOEESMDSY-GOSISDBHSA-N 474.414 4.325 50 10 JIGE CC(C)(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(C(=O)CCN3CCCC3)CC2)n1 1868342523 VFFOSVHOZBCZSH-UHFFFAOYSA-N 493.681 4.225 50 10 JIGE CC(C)[C@H]1CN(S(=O)(=O)c2csc(CBr)c2)CCN1Cc1ccccc1 2123232722 VHRVBFGHQUURFP-LJQANCHMSA-N 457.459 4.174 50 10 JIGE CC1(C)CO[C@H](CBr)CN1Cc1ccc(I)c(Cl)c1 2142950546 RWGGDCGVHUDCTR-LLVKDONJSA-N 458.565 4.319 50 10 JIGE CCn1cc(CC(CBr)(CBr)c2cccc(Br)c2)nn1 2143658830 KWTLFJQVSQTIJT-UHFFFAOYSA-N 466.015 4.331 50 10 JIGE O=C(c1cccc(F)c1I)N1CCC2(CC1)C[C@@H]2CBr 2148905250 FLBNBFKSYSIIQV-SNVBAGLBSA-N 452.105 4.068 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N[C@](C)(CBr)C(F)F)cc1Br 2161368103 VNJRRLAMCDMHEW-LLVKDONJSA-N 499.997 4.217 50 10 JIGE O=C(c1cc(Br)sc1Br)N1CCC2(CC1)C[C@H](Br)CO2 2173171561 QGQZZTYPPZDDDJ-QMMMGPOBSA-N 488.039 4.432 50 10 JIGE CC[C@H]1CN(S(=O)(=O)c2cccc(CBr)c2C)CCN1Cc1ccccc1 2179780956 UJTNTQPLRIMZPY-FQEVSTJZSA-N 451.430 4.175 50 10 JIGE O=C(c1csc(I)c1)N1C[C@@H]2CCCC[C@]2(CBr)C1 2230577642 GFAIVYIZVKSXOO-FZMZJTMJSA-N 454.171 4.380 50 10 JIGE CCn1ncc(-n2c(CCl)nc3cc(Br)ccc32)c1I 2280051895 QFAFVEQKJNPXIM-UHFFFAOYSA-N 465.520 4.348 50 10 JIGE COc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc(Br)c1OC(C)=O 2297551635 VXJAPNYYVKFANF-UHFFFAOYSA-N 494.685 4.490 50 10 JIGE C[C@H]1CC2CC(CO[C@@]3(CI)CCCN(C(=O)OC(C)(C)C)C3)(C2)O1 2319565723 TWPAWYBSDZAISN-MZMPVIPJSA-N 465.372 4.165 50 10 JIGE BrC[C@H]1CO[C@@H]2CN(Cc3cccc(Br)c3Br)C[C@@H]21 2330877193 LOLYYEVXCUJXJY-DMDPSCGWSA-N 454.000 4.053 50 10 JIGE N#CC(=C(O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2cccs2)cs1 2331327600 XDBGKWZBNSSIHD-UHFFFAOYSA-N 452.473 4.259 50 10 JIGE O=C(N[C@@H]1C[C@@H]2C[C@H]1C[C@@H]2Br)c1ccc(Br)cc1I 2333350056 DTFHBZDZORFUSQ-NIUIZCCNSA-N 498.984 4.346 50 10 JIGE O=C(N[C@H]1C[C@H](CCl)[C@H]2C[C@@H]12)c1ccc(Br)cc1I 2333351197 SXVYBBRSIGBBBJ-OSWAYODCSA-N 454.533 4.047 50 10 JIGE CC(C)[C@@H](Br)C(C)(C)CN(C)C(=O)c1cc(I)sn1 2340360847 FPTPIGLEXJJCKV-LLVKDONJSA-N 459.191 4.265 50 10 JIGE CCCCOc1ccccc1C(=O)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 14032095 BQNYWPBAROYXBR-UHFFFAOYSA-N 452.338 4.352 50 10 JIGE CCCCCCOc1ccccc1C(=O)NNC(=O)c1ccc(OC)c(I)c1 14032642 SKNUKUVMPFEQGJ-UHFFFAOYSA-N 496.345 4.334 50 10 JIGE Cc1ccccc1C(=O)NNC(=S)NC(=O)c1ccc(OCCC(C)C)c(Br)c1 14645978 HZWSZLKLUACGMH-UHFFFAOYSA-N 478.412 4.132 50 10 JIGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OC)c2)cc1 38650228 ZHYAHKXNGCCECO-SANMLTNESA-N 456.498 4.460 50 10 JIGE CCOC(=O)/C(C#N)=C(\Nc1ccccc1)SC(=O)/C=C\C(=O)Nc1ccc(OCC)cc1 210098453 AKIBLXJZXLAGGW-LMKZUQMWSA-N 465.531 4.250 50 10 JIGE O=S(=O)(N[C@H]1CCCC[C@@H]1CBr)c1cc(Br)ccc1Br 231622100 WJJSWVYSSOHFPH-SKDRFNHKSA-N 490.055 4.444 50 10 JIGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc4c(c3)OCO4)cc2OC)cc1 254741592 BNYUNBNCOPNCME-UHFFFAOYSA-N 476.485 4.196 50 10 JIGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc(CC)cc3)cc2OC)cc1 254790656 CWAUCNQSOBSHGP-UHFFFAOYSA-N 476.529 4.405 50 10 JIGE O=C(NN=Cc1ccccc1C(F)(F)F)C(=O)Nc1ccccc1C(=O)Nc1ccccc1 254813604 VNPIJZGYPPLIIW-UHFFFAOYSA-N 454.408 4.047 50 10 JIGE C[C@@H]1CN(C(=O)c2cc(Cl)ccc2I)C[C@]1(C)CBr 694707570 LBQYZRCMXGHHLM-OTYXRUKQSA-N 456.549 4.438 50 10 JIGE C[C@@H](CBr)[C@@H]1CCCCN1C(=O)c1cc(I)ccc1O 696715408 WXMLFWZCZYWEBR-GWCFXTLKSA-N 452.130 4.023 50 10 JIGE C/C(=C/C(=O)NNc1ccccc1S(=O)(=O)NC(C)(C)C)c1ccc(C(F)(F)F)cc1 1295317887 ZJHBDCINKYPVNO-YPKPFQOOSA-N 455.502 4.329 50 10 JIGE CS(=O)(=O)c1ccc(-n2nc(-c3cccc(I)c3)cc2CCl)cc1 1614820675 FFXJKQVDJVEEBI-UHFFFAOYSA-N 472.735 4.286 50 10 JIGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1865715008 SSJBJGSGRNBFGR-NRFANRHFSA-N 451.442 4.371 50 10 JIGE O=C(Nc1ccc(I)cc1Br)[C@H]1C[C@@H](Br)C1 1991420595 YFACNGAULIRLTR-KNVOCYPGSA-N 458.919 4.166 50 10 JIGE C[C@]12CN(c3ncc(I)cc3Br)C[C@]1(CBr)C2 2015757327 RXJOQHYXRDPLLM-NWDGAFQWSA-N 471.962 4.060 50 10 JIGE Fc1cc(F)nc(-n2nc(CBr)c(I)c2C(F)(F)F)c1 2078926387 GZBCRTJWYROXMF-UHFFFAOYSA-N 467.961 4.064 50 10 JIGE C[C@@H]1CCN(S(=O)(=O)Cc2cccc(CBr)c2)CCN1Cc1ccccc1 2179776219 RMSFCNYJEODBTI-GOSISDBHSA-N 451.430 4.008 50 10 JIGE O=S(=O)(c1ccc(Cl)c(CBr)c1Cl)N1CC2(CN(Cc3ccccc3)C2)C1 2179828905 VICBEDGJLLYZQL-UHFFFAOYSA-N 490.250 4.395 50 10 JIGE CN([C@@H]1CC[C@@H]1OCc1ccccc1)S(=O)(=O)c1cc(CBr)n(C2CC2)c1 2179858105 JXVLNHQSQVXIDE-UXHICEINSA-N 453.402 4.086 50 10 JIGE CCc1ccc(CBr)cc1S(=O)(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 2179863426 LRHNPMLAWXIURH-FQEVSTJZSA-N 451.430 4.039 50 10 JIGE O=S(=O)(c1ccc(CBr)cc1Cl)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 2188889261 XWMJFCKETVURTB-PKOBYXMFSA-N 469.832 4.130 50 10 JIGE O=C(c1cc(Br)sc1Br)N1CCO[C@@H]2C[C@@H](CBr)C[C@H]21 2199763437 VAYXCCLOWPWZNQ-FXBDTBDDSA-N 488.039 4.288 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2CC[C@@]2(C)CCBr)cc1Br 2205512204 OWOSQFBAXZQOHI-CYBMUJFWSA-N 490.055 4.458 50 10 JIGE Cc1ccc(I)c(C(=O)N(C)C2(CBr)CCSCC2)c1 2240919837 FQFHCBBSVXUDTJ-UHFFFAOYSA-N 468.198 4.332 50 10 JIGE O=C(c1c(F)cccc1I)N1CC[C@@]2(CCC[C@@H]2Br)C1 2282779949 IDVTUDZNVTVXBM-WFASDCNBSA-N 452.105 4.210 50 10 JIGE C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=S)NC(=O)C=Cc1cccc2ccccc12 2313752871 XMPRXAKNELZYAT-SFHVURJKSA-N 469.566 4.496 50 10 JIGE C=CCNC(=O)C(C#N)=C1S[C@H](Cc2ccc(C)c(C)c2)C(=O)N1c1ccc(OCC)cc1 2314593249 KEGZQRFDEYDZFG-HSZRJFAPSA-N 461.587 4.431 50 10 JIGE C=CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)c(F)c2)C(C)=C(C#N)C1=O 2314617088 QLGHUWBVGNMWRJ-UHFFFAOYSA-N 468.488 4.465 50 10 JIGE C=CC[C@H](Br)[C@H]1CCN1C(=O)c1ccc(I)c(Cl)c1 2335820060 DBOOBTDMKOLFDM-GXFFZTMASA-N 454.533 4.499 50 10 JIGE CC(C)(C)OC(=O)N[C@]12CCC(F)(F)C[C@@H]1CN(C[C@@H](Br)C(F)(F)F)C2 2344057094 MHJKYWSHZAXGQP-GYSYKLTISA-N 451.274 4.327 50 10 JIGE Cl[C@H]1CN(Cc2ccc(I)c(Br)c2)C[C@@]2(CCCO2)C1 2377340708 VIUJNDLHCDPXIW-IUODEOHRSA-N 470.576 4.416 50 10 JIGE Clc1ccc(I)cc1CN1C[C@@H](Br)C[C@]2(CCCO2)C1 2380526020 VBBJHRVKMGEPBQ-SWLSCSKDSA-N 470.576 4.463 50 10 JIGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4)ccc32)cc1 38658036 PDRJHYIHNZTHFT-AREMUKBSSA-N 454.482 4.454 50 10 JIGE O=C(NNc1ncnc(Nc2cccc3ncccc23)c1[N+](=O)[O-])c1ccc(Br)cc1 40657894 KEJLTOWIIWNPSJ-UHFFFAOYSA-N 480.282 4.196 50 10 JIGE COc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)CCl)c2ccc(OC)cc2OC)cc1 97914312 SNCGZIUDEPYAGV-DEOSSOPVSA-N 474.985 4.474 50 10 JIGE CCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1 206309092 AIHQZHDJIYJVBJ-VKAVYKQESA-N 468.560 4.278 50 10 JIGE CCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(/C=C(/C#N)C(=O)NC(C)C)cc2OC)cc1 206429164 ITLNMHZLYINQHX-KMNNFWAFSA-N 473.529 4.428 50 10 JIGE CCC(CBr)(CBr)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 232852047 XWNGJVJTSRFWNZ-UHFFFAOYSA-N 472.959 4.026 50 10 JIGE Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)CNc1ccc(I)cc1 253573872 RXNHHYBBLORZQM-FOKLQQMPSA-N 493.736 4.001 50 10 JIGE CCN(Cc1ccccc1)c1ccc(C=NNC(=O)Cn2cc(C(F)(F)F)ccc2=O)cc1 254762406 FIOMFDOFNKGMMX-UHFFFAOYSA-N 456.468 4.044 50 10 JIGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CCC[C@H](CBr)CC1 381202697 MUHYLLYTRLBQJE-QMMMGPOBSA-N 451.633 4.350 50 10 JIGE COC[C@@](C)(CBr)N(C)C(=O)c1cc(Br)cc(Br)c1 708335562 ZBAMNULKSWQVKO-CYBMUJFWSA-N 457.988 4.084 50 10 JIGE O=C(NNc1ccc(F)c(F)c1F)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 728718281 FCYFVMIFFUEYPC-UHFFFAOYSA-N 455.845 4.315 50 10 JIGE N#CCCn1cc(/C=C(\C#N)C(=O)OCc2nc(-c3ccsc3)no2)c(-c2ccccc2)n1 729344217 CQUYHLLZJVHPEH-WOJGMQOQSA-N 456.487 4.226 50 10 JIGE C#CCOc1c(Cl)cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1OCC 1083990413 ZLRVXXQSEZJIOY-OAQYLSRUSA-N 458.942 4.113 50 10 JIGE Cc1cc(C=NNC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)c(C)n1-c1cccc(Cl)c1 1084171216 GZYYVKHZDSTNMV-UHFFFAOYSA-N 493.416 4.317 50 10 JIGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)cc2)ccc1O 1088736365 XTDKOQVHPXLOQR-INIZCTEOSA-N 462.815 4.477 50 10 JIGE CC(=O)N(CC(=O)NNC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12)c1ccccc1 1350374287 DQFGSKJCHFLRIK-UHFFFAOYSA-N 452.514 4.024 50 10 JIGE CCOC(=O)c1sc(NC(=O)NN=Cc2ccc(Cl)c([N+](=O)[O-])c2)c(C(=O)OCC)c1C 1772752270 JNTIBYWCBDMNRX-UHFFFAOYSA-N 482.902 4.127 50 10 JIGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@@H](c2ccncc2)C(C#N)=C(N)O3)cc1 1865702047 LIZGRYASYBCEKY-QFIPXVFZSA-N 453.477 4.359 50 10 JIGE COc1cc2c(/C=N/NC(=O)c3ccc4[nH]c5c(c4c3)CCCC5)c(C(=O)O)n(C)c2cc1OC 1873498606 XTPPSQAWNYETDP-UVHMKAGCSA-N 474.517 4.018 50 10 JIGE CN(C[C@H](Cl)COCc1ccccc1)C(=O)c1cccc(F)c1I 1916389296 VEXUERXGLFWUJK-AWEZNQCLSA-N 461.702 4.327 50 10 JIGE Cc1cnc(-n2nc(CBr)c(I)c2C(F)(F)F)c(C)c1 2078927228 OBZWYBJURJIVGV-UHFFFAOYSA-N 460.035 4.402 50 10 JIGE C[C@@]12CN(C(=O)c3ccc(I)c(Cl)c3)C[C@]1(CBr)C2 2109184497 YBIQZOMFNOATAP-ZIAGYGMSSA-N 454.533 4.192 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1C[C@@H]2C[C@H](CBr)[C@@H]2C1 2117685120 XQPHAOLWNDPSNM-PTRXPTGYSA-N 454.533 4.048 50 10 JIGE CC(C)(C)OC(=O)NC[C@H]1C[C@H]([S@@](C)(=O)=NC(=O)c2ccc(CBr)cc2)C1 2192626559 QTSUJUYITGJSKC-NJNLUCQBSA-N 459.406 4.123 50 10 JIGE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1Br)C(=O)NCC1CC(Br)C1 2229120842 AJJBXFZXOOVAQD-PXCJXSSVSA-N 490.236 4.175 50 10 JIGE COc1cc(C=C(C#N)C(=O)NC[C@H]2CCCO2)cc(Br)c1OCc1ccccc1 2297551029 XIVIEAFPHLGOLY-LJQANCHMSA-N 471.351 4.239 50 10 JIGE CO[C@H]1[C@@H](OCc2ccc(I)c(Br)c2)C[C@H]1Br 2306297501 QETPUVGJALWMEC-ADEWGFFLSA-N 475.946 4.121 50 10 JIGE CCN(C[C@@](C)(CI)OC1CC2(CC(OC)C2)C1)C(=O)OC(C)(C)C 2314655169 YCLWUAVPDBAIJK-LZUQWOSISA-N 467.388 4.411 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CC[C@@H]2[C@H](C1)[C@@H]2CCl 2333118675 GTWVVUMJUGXODO-WCQGTBRESA-N 454.533 4.001 50 10 JIGE CCOc1ccc(CO[C@@](C)(CI)CN(CC)C(=O)OC(C)(C)C)cn1 2337972253 OXPYQFALEWLDDG-IBGZPJMESA-N 478.371 4.448 50 10 JIGE COc1cc(C[C@@H](Br)c2ccc(Cl)cc2I)ncn1 2340028339 YXQZPOXKGHUISY-LLVKDONJSA-N 453.505 4.422 50 10 JIGE CCOc1ccc(/C=C/C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 13620757 RKLHLWWUGZZBCZ-MDWZMJQESA-N 475.383 4.385 50 10 JIGE CCCCCCC(=O)N/N=C/c1ccc(OC(=O)c2cc(OC)c(OC)c(OC)c2)c(OC)c1 33959254 PERHMGIVWBYMDY-WGOQTCKBSA-N 472.538 4.361 50 10 JIGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1cc(OC)cc(OC)c1 35263000 PCNSSDHKSYUPEQ-GRSHGNNSSA-N 476.485 4.138 50 10 JIGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc32)cc1OC 38659522 KJKWDEYKNSITLR-XMMPIXPASA-N 487.468 4.439 50 10 JIGE Cc1ccc2c(Nc3ncnc(NNC(=O)c4ccc(Br)cc4)c3N)cccc2n1 40784577 VAAHXSLANOULNL-UHFFFAOYSA-N 464.327 4.178 50 10 JIGE COC(=O)c1ccc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccs2)CCC3)cc1 40823677 BCAGWNQJCLBXPJ-LFVJCYFKSA-N 452.488 4.126 50 10 JIGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\Nc3cccc(Br)c3)C2=O)cc1OC 101235031 FYIPLJIJEYYHCT-XSFVSMFZSA-N 496.361 4.214 50 10 JIGE COc1cc(/C=C(/C#N)c2nn(-c3ccccc3)c(N)c2C#N)ccc1OC(=O)c1ccco1 108730090 IAWKMASNTAORPZ-ATVHPVEESA-N 451.442 4.211 50 10 JIGE C[C@H]1CN(C(=O)c2cc(I)ccc2Br)CC[C@H]1Br 235666241 LNHWHLUWSIYMBA-GZMMTYOYSA-N 486.973 4.299 50 10 JIGE Brc1ccc([C@H]2CN(Cc3ccccc3)C[C@@H]2CI)nc1 394647539 SJVROPWRGGBRIZ-HOCLYGCPSA-N 457.153 4.495 50 10 JIGE O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NNc1ccc(F)c(F)c1F 728716700 BRHROMIDHJVXBD-UHFFFAOYSA-N 483.899 4.092 50 10 JIGE O=C(NNc1ccc(F)c(F)c1F)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 728718309 GXBZPYWVEHSZKR-UHFFFAOYSA-N 455.845 4.315 50 10 JIGE COc1ccc(CNC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)cc1OC 817996366 ANGOVAYYKZCNFX-UYRXBGFRSA-N 475.936 4.358 50 10 JIGE COC(=O)c1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(OC)cc1)CCC2 1772745763 KHUPYSPJWJOVRY-UHFFFAOYSA-N 475.501 4.106 50 10 JIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Br)cc2)cc(OC)c1OC 1865691803 BHTYDGDEEVSKAQ-HXUWFJFHSA-N 497.349 4.187 50 10 JIGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccc([N+](=O)[O-])cc2)cc1 1865713099 QSAVBBWDFJCZBH-MRXNPFEDSA-N 457.368 4.026 50 10 JIGE O=C(N[C@H](CCBr)C(F)F)c1cc(Br)ccc1I 1918561891 XRLUVCVNOOPFPS-SECBINFHSA-N 496.915 4.202 50 10 JIGE O=C(NCCNS(=O)(=O)c1ccc(CCCl)cc1)OCC1c2ccccc2-c2ccccc21 1978830575 RSUFPTRMUKYXPY-UHFFFAOYSA-N 485.005 4.285 50 10 JIGE CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)C1=Cc1ccc(-c2ccc(Cl)cc2Cl)o1 2040532197 XWBVWKILOZPIDR-CQSZACIVSA-N 491.352 4.033 50 10 JIGE COc1ccc(N2C(C)=CSC2=C(C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)cc1 2042434310 CWYHZUQCOIOECE-UHFFFAOYSA-N 472.574 4.419 50 10 JIGE CCOC(=O)Cc1c(CBr)ccc(I)c1OC(F)(F)F 2055276166 RVQKMNWBDGIKIE-UHFFFAOYSA-N 467.019 4.190 50 10 JIGE BrC[C@@H]1CC12CCN(c1ncc(I)cc1Br)CC2 2069532122 RFUWLWOXIKPNPZ-VIFPVBQESA-N 485.989 4.450 50 10 JIGE Cn1nc([C@H](Br)c2cc(I)cc3c2OCC3)cc1Cl 2097575529 YBLZDBHHCMIQFX-GFCCVEGCSA-N 453.505 4.097 50 10 JIGE CC(C)[C@@H](Br)CN(C)S(=O)(=O)c1cc(Br)ccc1Br 2111351710 SXAVMGHBKAPTJL-NSHDSACASA-N 478.044 4.252 50 10 JIGE O=C(N[C@H](CBr)c1ccsc1)c1ccc(F)cc1I 2119041644 XYCPEFJIXWQXJT-GFCCVEGCSA-N 454.102 4.358 50 10 JIGE O=C(N[C@H]1COC2(CCC2)[C@H]1Br)c1cc(Br)c(Br)s1 2141547075 WQMBMUOPOZDKDV-CBAPKCEASA-N 474.012 4.088 50 10 JIGE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)[C@@H](Br)C2CCCC2)CC[C@@H]1C(F)(F)F 2167032696 KKLYMNUSBYTWAG-MJBXVCDLSA-N 457.331 4.244 50 10 JIGE O=C(c1cc(I)ccc1F)N1[C@H](CBr)C[C@H]2CCC[C@H]21 2169662186 IYSPDTQDCWBUQN-OLUVUFQESA-N 452.105 4.208 50 10 JIGE CCCn1cc(S(=O)(=O)N(C)[C@@H]2CC[C@@H]2OCc2ccccc2)cc1CBr 2179860150 NOBRFOFUTIXXRN-UXHICEINSA-N 455.418 4.161 50 10 JIGE FC1(COc2c(Br)cc(CBr)cc2Br)COCCOC1 2187294560 STOQMZVKBWAESX-UHFFFAOYSA-N 476.962 4.240 50 10 JIGE FC(F)(F)c1cnc(N2CC[C@H](Br)[C@@H]3CC[C@H]32)c(I)c1 2190263618 LGHLYBVPHIDUKD-ATZCPNFKSA-N 461.063 4.457 50 10 JIGE C[C@@H]1SCCC[C@@H]1N(C)S(=O)(=O)c1cc(CBr)sc1Br 2197290389 HTFNFDFQTKYDEQ-WPRPVWTQSA-N 463.282 4.310 50 10 JIGE C[C@@H]1CCC[C@@H](CO[C@@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)O1 2301123059 UMNMTICKWXZWCL-RVKKMQEKSA-N 453.361 4.165 50 10 JIGE Cn1cc(I)c(C[C@H](CCl)Cc2ccc(Br)cc2)n1 2341763695 XDYNDEVYCHMHMM-LLVKDONJSA-N 453.549 4.427 50 10 JIGE COC[C@]1(CBr)C=CCN1C(=O)c1c(Br)cccc1Br 2379845600 KSMVCAOJIHIKKJ-CQSZACIVSA-N 467.983 4.004 50 10 JIGE N#CC1=C(SCC(=O)Nc2ccc(Br)cc2)NC(=O)C[C@@H]1c1ccccc1[N+](=O)[O-] 3150635 WKBXWODGQGHTCT-OAHLLOKOSA-N 487.335 4.068 50 10 JIGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(OCc3ccccc3)cc2)cc1 14030233 VLEZBLGLOZPFAG-UHFFFAOYSA-N 477.586 4.394 50 10 JIGE C/C(=N/NC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1)c1ccc(C)c([N+](=O)[O-])c1 59402177 UXSRFNCQDMJKET-GYWYJNNJSA-N 466.538 4.226 50 10 JIGE O=C(N/N=C(/CSc1nc2ccccc2[nH]1)c1ccccc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 59460496 RGTGEQGWFVZTBF-QQTULTPQSA-N 476.474 4.306 50 10 JIGE O=c1[nH]c2ccc([C@@H](Cl)c3cc(Br)c(Br)s3)cc2[nH]c1=O 128539368 HKWWXNISPCRHBJ-SNVBAGLBSA-N 450.539 4.131 50 10 JIGE C[C@H]1CCC[C@](CBr)(NC(=O)c2ccc(I)c(O)c2)C1 235629467 IOKRPAAFCIKWOA-BONVTDFDSA-N 452.130 4.070 50 10 JIGE O=C(NN=Cc1c(Sc2ccc(Cl)cc2)nc2ccccn2c1=O)c1cccc([N+](=O)[O-])c1 252596565 CKNUODCDCRAMJR-UHFFFAOYSA-N 479.905 4.171 50 10 JIGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3cccc(F)c3)n2-c2ccccc2)cc1 254400240 XFTMAXYWSJZPIP-UHFFFAOYSA-N 461.522 4.324 50 10 JIGE CC(=NNC(=O)c1cc(-c2cccnc2)nc2ccccc12)c1ccc(OCC(=O)N2CCCC2)cc1 254527782 IPXDLBGOUWJONN-UHFFFAOYSA-N 493.567 4.452 50 10 JIGE CCOc1cc(C=NNC(=O)COc2ccc(C)cc2[N+](=O)[O-])ccc1OC(=O)c1ccc(F)cc1 254545960 OPZYPSWFBKQECR-UHFFFAOYSA-N 495.463 4.189 50 10 JIGE C[C@H]1C[C@@H](CCl)CN(C(=O)c2cc(I)ccc2Br)C1 398683441 ZFAZLSPFHHSBJD-UWVGGRQHSA-N 456.549 4.391 50 10 JIGE O=C(N[C@@H]1CCC[C@@H]1Br)c1ccc(I)c(Br)c1 721574219 WSOLLYOLCVTRCV-GZMMTYOYSA-N 472.946 4.100 50 10 JIGE CCCN(CC)C(=O)c1ccc(C(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)cc1 729167866 SUEDRJLEWHPWAH-UHFFFAOYSA-N 477.536 4.352 50 10 JIGE CC(C)Cc1ccc([C@@H](C)C(=O)NN=C2C(=O)N(CCN3CCCCC3)c3ccccc32)cc1 1084012345 VGBVTXZKJVLDBL-OAQYLSRUSA-N 460.622 4.342 50 10 JIGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(-c3cc(C(=O)OC)ccc3C)o2)cc1 1084086459 KZOZCADOYYUOEK-QHCPKHFHSA-N 464.518 4.404 50 10 JIGE CCn1c(NNC(=O)/C=C/c2cn(Cc3ccccc3)nc2-c2ccccc2)nc2ccccc2c1=O 1087485808 AITCBWOVSDBDEF-ISLYRVAYSA-N 490.567 4.485 50 10 JIGE C/C(=C/c1ccc(Cl)cc1)C(=O)NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 1440584693 UBEYDWUVHXKKCG-MSUUIHNZSA-N 457.921 4.452 50 10 JIGE N#CSc1ccc(NC(=O)CCC(=O)Nc2cccc(C(=O)OCc3ccccc3)n2)cc1 1858763769 SBUOKQONYLCCCY-UHFFFAOYSA-N 460.515 4.369 50 10 JIGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccn2)ccc1OCCc1ccccc1 1865688583 VSEXYUFFPSXYPX-SANMLTNESA-N 479.540 4.424 50 10 JIGE O=C(c1ccc(Br)cc1Br)N1C[C@@H]2CC[C@@]2(CBr)C1 1903982174 CRFOEJMTBGBHQS-LKFCYVNXSA-N 451.984 4.459 50 10 JIGE CN(c1ncc(I)cc1Br)[C@@H]1CCC[C@H]1Br 1988535638 YOGNTJMMULJGQD-PSASIEDQSA-N 459.951 4.201 50 10 JIGE Brc1cc(I)cnc1N1[C@H]2CC[C@@H]1C[C@@H](Br)C2 2015764842 FUDXITGAANGEHO-SLGCYQGISA-N 471.962 4.343 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CC2(CC2)C[C@H]1CBr 2099149016 YLGHUDLXPGISTL-JTQLQIEISA-N 498.984 4.443 50 10 JIGE C#CC[C@@](C)(CCl)CNC(=O)c1cc(I)ccc1Br 2140724059 FTINAQJSLXXJNW-AWEZNQCLSA-N 454.533 4.052 50 10 JIGE C[C@@H]1CN(C(=O)c2ccc(Br)cc2I)C[C@@]1(C)CCl 2142290006 WYMYHWRNNSJBGT-YMTOWFKASA-N 456.549 4.391 50 10 JIGE Cc1ccc(I)c(C(=O)N2CC[C@H](CCBr)[C@@H](C)C2)c1 2240921911 LUSNVSXAHOTPTK-STQMWFEESA-N 450.158 4.483 50 10 JIGE CC1(C)OCCN(C(=O)c2ccc(Br)cc2Br)[C@@H]1CBr 2282891414 YYJWXMSNGSFLPM-GFCCVEGCSA-N 469.999 4.226 50 10 JIGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)NC[C@H]3CCCO3)c(Oc3ccc(C(C)(C)C)cc3)nc12 2296719326 DAZPKAXZXMYAPF-JOCHJYFZSA-N 486.572 4.295 50 10 JIGE COc1ccc(CCO[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2Br)c(Br)c1 2317132082 IVNVDIHDRTTZEB-CVEARBPZSA-N 479.209 4.400 50 10 JIGE COc1ccc(-c2ccc(C(=O)NNC(=O)C=Cc3ccc(Cl)cc3)c(C)n2)cc1OC 2321169158 CHBWTGCMBHRFQG-UHFFFAOYSA-N 451.910 4.202 50 10 JIGE N#C/C(C(=O)NCc1ccco1)=C1\S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(F)cc1 1889016 ITLFBPSWUIPPLN-KWLPWJRRSA-N 465.481 4.300 50 10 JIGE C=CCn1c(SCC(=O)N/N=C/c2ccc(O)cc2)nc2scc(-c3ccccc3)c2c1=O 9041518 KNQGRYORZIDYHS-DHRITJCHSA-N 476.583 4.259 50 10 JIGE O=C(COc1ccc2ccccc2c1)NNC(=S)NC(=O)c1cccc(OCCc2ccccc2)c1 10334051 APCGVWSRIVQBHG-UHFFFAOYSA-N 499.592 4.176 50 10 JIGE COCCOc1ccc(Br)cc1C(=O)NNC(=O)c1sc2ccccc2c1Cl 14662545 HSFVVCYZFNUXTQ-UHFFFAOYSA-N 483.771 4.417 50 10 JIGE Cc1ccc2cc3c(nc2c1)N(c1ccc(C(=O)NNC(=O)COc2ccccc2)cc1)CC3 39881556 PTLVPNMQFNCEBT-UHFFFAOYSA-N 452.514 4.077 50 10 JIGE O=C(Cc1ccc([N+](=O)[O-])cc1)NNc1ncnc(Nc2cc(Cl)cc(Cl)c2)c1[N+](=O)[O-] 40588077 VMWLUNBWGJUBLM-UHFFFAOYSA-N 478.252 4.029 50 10 JIGE O=C(NNc1ncnc(Sc2cccc3cccnc23)c1[N+](=O)[O-])c1cccc(Cl)c1 40658646 GQCVNJWFMAVQJV-UHFFFAOYSA-N 452.883 4.495 50 10 JIGE Cc1c(C(=O)N(C)Cc2ccccc2)oc2c1/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 40812245 HPYXRPDOYSFDND-LHLOQNFPSA-N 460.490 4.239 50 10 JIGE COC[C@H](C)NC(=O)c1oc2c(c1C)/C(=N/NC(=O)Cc1coc3cc(C)cc(C)c13)CCC2 40826813 KZTVYHKRYXRKJS-QROGEYBXSA-N 465.550 4.115 50 10 JIGE N#C/C(=C/NCCc1ccc(Br)cc1)C(=O)N1CCC(Cc2ccccc2)CC1 216892236 YHDCXGRUVGNLIL-PYCFMQQDSA-N 452.396 4.470 50 10 JIGE C[C@H](Br)C1CCN(S(=O)(=O)c2cc(Cl)c(Br)s2)CC1 235466715 DXRLBUFGJSWFPF-ZETCQYMHSA-N 451.633 4.348 50 10 JIGE CCOc1ccccc1C=NNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1C 254401977 FSDIHKUKDYTYHT-UHFFFAOYSA-N 472.570 4.335 50 10 JIGE ClCc1cc(-n2cnc(I)c2I)nc2ccccc12 311536378 HXAACCZOGLAQKO-UHFFFAOYSA-N 495.489 4.369 50 10 JIGE Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NC3CCN(C(=O)CC(F)(F)F)CC3)c2C)cc1 726948612 OGPUYZRJQDCYOS-DEDYPNTBSA-N 472.511 4.369 50 10 JIGE CC(=NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)[C@H]1C[C@H]1c1ccccc1Cl 920358596 WKXHXEDPOVQBFJ-RTWAWAEBSA-N 459.999 4.424 50 10 JIGE C=CCOc1cccc(C=NNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)c1 1084215293 COQCMPNYWRFRHQ-UHFFFAOYSA-N 481.549 4.045 50 10 JIGE O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)NN=Cc1ccccc1Cl 1084377285 YWYODMCFYLVGKC-UHFFFAOYSA-N 462.358 4.339 50 10 JIGE C#Cc1cccc(NC(=S)NNC(=O)c2cnc(-c3ccccc3Br)s2)c1 1651317442 MMDAKXXMPCCLKN-UHFFFAOYSA-N 457.378 4.185 50 10 JIGE Cc1c(C(=O)N(C)c2ccccc2)oc2c1C(=NNC(=O)c1cncc(Br)c1)CCC2 1772747449 OUDQJJOXOXVIPM-UHFFFAOYSA-N 481.350 4.493 50 10 JIGE N#CC(=C1Nc2ccccc2S1)c1ccnc(OCc2ccc(CN3CCOCC3)cc2)n1 1857742987 LRRWTQBREKZHNX-UHFFFAOYSA-N 457.559 4.298 50 10 JIGE N#C/C(=C\c1cccc(Br)c1)C(=O)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 1866366456 GEVNWWHQIFVGRQ-GXPYYPFNSA-N 450.380 4.481 50 10 JIGE Cn1nc(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)cc1-c1ccco1 1867239088 BYIZWDGFMZVGCG-HXUWFJFHSA-N 489.532 4.372 50 10 JIGE Cc1c(Br)sc([C@H](Br)[C@H]2CCS(=O)(=O)C2)c1Br 1922943703 WNGSULWQBJYYIH-POYBYMJQSA-N 467.042 4.452 50 10 JIGE O=C(N[C@H](CBr)C[C@H]1CCCO1)c1cc(Br)c(Br)s1 1926780716 LOZRCGHYWGUMCP-JGVFFNPUSA-N 476.028 4.336 50 10 JIGE C[C@@H]1CCN(c2ncc(I)cc2Br)C[C@@H]1CBr 2015763428 YINYAFXTHRJPMF-BDAKNGLRSA-N 473.978 4.306 50 10 JIGE Cc1nc(F)ccc1-n1nc(CBr)c(I)c1C(F)(F)F 2078932256 HTALTGGWLINULZ-UHFFFAOYSA-N 463.998 4.233 50 10 JIGE Cc1ncc(-n2nc(CBr)c(I)c2C(F)(F)F)cc1F 2078932280 CTPPUNSHULPNEN-UHFFFAOYSA-N 463.998 4.233 50 10 JIGE CN(C(=O)c1cccc(I)c1)[C@H](CCBr)C(F)(F)F 2122004793 ZGIIIXZWTIZSQV-SNVBAGLBSA-N 450.036 4.079 50 10 JIGE O=C(c1csc(Br)c1Br)N1CCO[C@@H]2C[C@@H](Br)C[C@@H]21 2128870152 OBMUBWRAAPOZBO-CNUIFLNQSA-N 474.012 4.040 50 10 JIGE CC[C@H]1CN(C(=O)c2cc(Br)ccc2I)C[C@@H]1CCl 2140770186 YZPYNJNYRVPQOD-UWVGGRQHSA-N 456.549 4.391 50 10 JIGE Cc1ccccc1C(CBr)(CBr)Cc1c(Br)nnn1C 2145946593 ILHVOONHZXUOAL-UHFFFAOYSA-N 466.015 4.156 50 10 JIGE C[C@@H]1[C@H](C(F)(F)F)N(C(=O)[C@@H](Br)C2CCCC2)CCN1C(=O)OC(C)(C)C 2172604132 LYSQSJFZCROSCV-KWCYVHTRSA-N 457.331 4.339 50 10 JIGE CC1(C)C[C@H](N(Cc2ccccc2)S(=O)(=O)c2ccc(CCBr)cc2)CO1 2179778545 DTRZSUGBAAUOMC-IBGZPJMESA-N 452.414 4.382 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N[C@@H]1CCC[C@@H]1CBr 2277936598 NTVHUICTJYUYTQ-ZWNOBZJWSA-N 454.000 4.434 50 10 JIGE O=C(c1cccc(I)c1)N1CCC(CBr)(C(F)F)CC1 2289933931 JIICHJDSQFOZNZ-UHFFFAOYSA-N 458.084 4.174 50 10 JIGE CCOC(=O)C(C#N)=Cc1cc(OC)c(OCc2ccc([N+](=O)[O-])cc2)cc1Br 2293704394 NKZBTJLULCEFRV-UHFFFAOYSA-N 461.268 4.415 50 10 JIGE NNC(=O)c1cc(Br)cc(Br)c1NC(=O)c1ccc(Cl)c(Cl)c1 2295356093 JYTCJMYATPUNTR-UHFFFAOYSA-N 481.959 4.374 50 10 JIGE CN1CC[C@](C)(CO[C@@](C)(CI)c2ccccc2Br)C1 2296402778 AXNXDDCCBPALCX-HOTGVXAUSA-N 452.174 4.458 50 10 JIGE COc1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccccc3OC)nc3ccccn3c2=O)cc1 2296543435 AXXOMNYAAMAJAF-UHFFFAOYSA-N 468.469 4.050 50 10 JIGE Cc1sc2nc(SCC(=O)NN=Cc3ccc(O)cc3)nc(O)c2c1-c1ccccc1 2320486450 XMFPBDDKLRBCAC-UHFFFAOYSA-N 450.545 4.320 50 10 JIGE CC(C)(C)OC(=O)N1C[C@@H](I)[C@H](OCc2cc(C(C)(F)F)ccn2)C1 2327983602 PLVYETASSPQVGM-ZIAGYGMSSA-N 468.282 4.133 50 10 JIGE C=CC[C@@H](Br)[C@H]1CCN1C(=O)c1ccc(Cl)cc1I 2340062341 YPRUJECXHHTXOT-DGCLKSJQSA-N 454.533 4.499 50 10 JIGE O=C(c1scc(Br)c1Br)N(CCBr)C1CCOCC1 2353570385 DKDRELVCETTYGU-UHFFFAOYSA-N 476.028 4.289 50 10 JIGE CC[C@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2cccc(O[C@H](C)CC)c2)cc1 10672208 UOYACHYIHXLURK-DLBZAZTESA-N 457.596 4.092 50 10 JIGE CC[C@@H](Nc1ccc(Br)cc1)C(=O)N/N=C/c1cc(Br)ccc1O 27498305 YBDXEXAYPNKWEY-IXJMWADBSA-N 455.150 4.258 50 10 JIGE Cc1nn(-c2ccccc2)c(C)c1/C=C(/C#N)C(=O)OCC(=O)Nc1ccc(OC(F)F)cc1 33489895 MCJIDLUYTDCRFC-ATVHPVEESA-N 466.444 4.179 50 10 JIGE COc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)N4CCN(c5ccccc5)CC4)c(C)c32)c1 40822167 LWXJMTDCZVUSBP-BYNJWEBRSA-N 486.572 4.029 50 10 JIGE C[C@H](NC(=O)CCC(=O)C(C#N)=C1N(C)c2ccccc2N1C)c1cccc(Br)c1 59350140 OODGDUUPVDKNIG-HNNXBMFYSA-N 467.367 4.297 50 10 JIGE N#Cc1cc(I)c(OCC2(CBr)CCCC2)c([N+](=O)[O-])c1 96870105 DJTVKBQJAPLXGC-UHFFFAOYSA-N 465.085 4.405 50 10 JIGE COC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C/c2ccc(OC(C)C)c(OC)c2)c(OC)c1 207008116 LSAOEFZMOQEPLX-NTCPEWOASA-N 451.475 4.190 50 10 JIGE COc1cc(/C=C2\C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 214431096 VIDJTCHRPADNMX-UCQKPKSFSA-N 488.540 4.128 50 10 JIGE COc1ccc([C@H](C)NC(=O)/C(C#N)=C\Nc2ccc(I)cc2C)cc1OC 217172105 BLRKOTAUMXRFLD-QXPQOBGOSA-N 491.329 4.314 50 10 JIGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2ccc(F)cc2O)C1 382721277 NOOPBZFFLUQPSG-WMLDXEAASA-N 455.267 4.319 50 10 JIGE Cc1cc(CCl)cc(S(=O)(=O)N2CC3(CN(Cc4ccccc4)C3)C2)c1Br 706181285 ZHMSDRIXYMAGAH-UHFFFAOYSA-N 469.832 4.003 50 10 JIGE CC[C@@](C)(CBr)NC(=O)c1ccc(I)c(Br)c1 721595133 TWZVYQJOKYNWPS-LBPRGKRZSA-N 474.962 4.347 50 10 JIGE Cc1nccn1-c1ccc(CNC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)cn1 918661232 DXZLFCYKJHAENU-BKUYFWCQSA-N 496.962 4.230 50 10 JIGE Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(/C#N)c3nn(-c4ccccc4)c(N)c3C#N)cc2O)cc1 1084299613 HEURJKBILXLYFD-UYRXBGFRSA-N 497.536 4.172 50 10 JIGE CCOc1cccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)c1 1084459625 IZRIVOWHAVJWEQ-AWQFTUOYSA-N 473.485 4.435 50 10 JIGE C#CC[C@@]1(C(=O)NNc2ccc(Cl)c(Br)c2)CCCN1C(=O)OC(C)(C)C 1639215156 QYDUJPJVYUKALU-IBGZPJMESA-N 456.768 4.339 50 10 JIGE COc1ccccc1NCCC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1866889817 AJOHLRSEMSXZRW-HSZRJFAPSA-N 474.586 4.437 50 10 JIGE CCC[C@@H](NC(=O)C[C@@H](c1ccccc1)c1nnc(C)o1)C(=O)Nc1ccc(SC#N)cc1 1867023979 ISEOTNGGKBTSDC-LEWJYISDSA-N 463.563 4.397 50 10 JIGE CC(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCC(CN3CCOCC3)CC2)n1 1868231457 HMJJGMNLCMZJIL-UHFFFAOYSA-N 452.628 4.465 50 10 JIGE C[C@@H](Cl)[C@@H](NC(=O)c1cc(I)ccc1Br)C(F)(F)F 1882673317 FMIVVKSLVXVWDG-MLUIRONXSA-N 470.454 4.342 50 10 JIGE CN(CC1CC(Br)C1)S(=O)(=O)c1cc(CBr)sc1Br 1887902140 VXHYAYWWMFDUEX-UHFFFAOYSA-N 496.084 4.200 50 10 JIGE CC(C)(C)OC(=O)N[C@@H](CBr)C[C@H]1N(C(=O)OC(C)(C)C)CC12CCOCC2 1893701213 SXVZBYONJQLMFP-HUUCEWRRSA-N 463.413 4.081 50 10 JIGE C[C@H](Br)[C@H]1CCN(c2ncc(I)cc2Br)C1 1988535374 XBAMTCHWZXQQSR-YUMQZZPRSA-N 459.951 4.058 50 10 JIGE CCOC(=O)Cc1cc(Br)cc(I)c1CBr 2054991539 JWNKFXFDGSVZPM-UHFFFAOYSA-N 461.919 4.054 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1CC[C@@H](Br)CC12CC2 2113560510 CHLADZMTIHYEBU-SNVBAGLBSA-N 454.533 4.477 50 10 JIGE O=S(=O)(c1cc(F)c(Cl)c(CBr)c1)N1CC[C@H](OCc2ccccc2)C1 2123270779 ZKRVAMTWYLFWQU-HNNXBMFYSA-N 462.768 4.354 50 10 JIGE C=CC[C@](C)(CBr)CNS(=O)(=O)c1cc(Cl)c(Br)s1 2137391324 MOLCHHMRMDNBTA-LLVKDONJSA-N 451.633 4.420 50 10 JIGE Cc1sc(C)c(S(=O)(=O)N[C@H](CBr)CC(F)(F)F)c1Br 2143912694 DVODKTNGVXLZPR-ZETCQYMHSA-N 459.147 4.122 50 10 JIGE C[C@]12CN(c3ncc(C(F)(F)F)cc3I)C[C@]1(CBr)C2 2165480052 DPCZQJRXVQDUJG-NWDGAFQWSA-N 461.063 4.316 50 10 JIGE O=S1(=O)C[C@H]2[C@@H](C1)[C@@H]2[C@@H](Br)c1scc(C(F)(F)F)c1Br 2174594574 OZIZMUDLQJWYFB-LSSCIPKCSA-N 454.127 4.256 50 10 JIGE COCC(C)(C)N(Cc1ccccc1)S(=O)(=O)c1cc(CBr)cc(F)c1F 2179859777 JBIPZEQNCAZYCA-UHFFFAOYSA-N 462.356 4.476 50 10 JIGE COCCOc1ccc(C=C(C#N)C(=O)Nc2c(Br)cc(C)cc2C(=O)O)cc1 2331123282 CGGUTBOIAICUAZ-UHFFFAOYSA-N 459.296 4.027 50 10 JIGE Cl[C@@H]1C[C@H]2OCCN(Cc3ccc(I)c(Br)c3)[C@@H]2C1 2349850610 AYDSBRPGZBWTKQ-ZLKJLUDKSA-N 456.549 4.024 50 10 JIGE COc1ccccc1O[C@@H](C)C(=O)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 14006738 DAXJQQADBKYFCT-SFHVURJKSA-N 489.572 4.474 50 10 JIGE Cc1ccc(NC(=O)CCC(=O)NNC(=O)c2cc(Br)ccc2OC(C)C)cc1C 14668020 YBZMUOOVERRNTO-UHFFFAOYSA-N 476.371 4.033 50 10 JIGE CCCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1 40949005 WYOHDHBNTNRVEP-NBVRZTHBSA-N 466.519 4.118 50 10 JIGE Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1 59146696 VYUSPBYJWBZZPJ-WGOQTCKBSA-N 452.576 4.429 50 10 JIGE COc1ccc(C(=O)N/N=C2/C(=O)N(CN3C[C@@]4(C)C[C@H]3CC(C)(C)C4)c3ccccc32)cc1 102647545 SYQOLXVGXLAHTD-SEKTZNTOSA-N 460.578 4.034 50 10 JIGE COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NCC2(c3cccc(F)c3)CCOCC2)c1C 108877184 HANGGTDIOZYIAJ-CVHFWEDTSA-N 453.558 4.223 50 10 JIGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CC)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 214208953 NANBCFSFKRACEA-BKUYFWCQSA-N 497.511 4.458 50 10 JIGE COc1ccc(Br)cc1C=NNC(=O)COc1ccc(C)cc1Br 252605554 GKGUNRXAKJKRCK-UHFFFAOYSA-N 456.134 4.058 50 10 JIGE CCOc1cc(C=NNC(=O)COc2ccc(CC)cc2)ccc1OC(=O)c1ccc(OC)cc1 254451536 SCJVKWDWTHRUBW-UHFFFAOYSA-N 476.529 4.405 50 10 JIGE CC[C@@H](Br)c1cn(-c2cc(Br)ccc2I)nn1 304187365 FKBOSXLACRTHKL-MRVPVSSYSA-N 470.934 4.480 50 10 JIGE Brc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2CI)nc1 394647535 SJVROPWRGGBRIZ-GDBMZVCRSA-N 457.153 4.495 50 10 JIGE CCN(C[C@H](C)Br)C(=O)c1ccc(I)c(Br)c1 721623134 RZVFRQNLHZOZKU-QMMMGPOBSA-N 474.962 4.299 50 10 JIGE Cc1cc(/C=C(/C#N)C(=O)N2CCC[C@H]2C(=O)NCc2ccco2)c(C)n1-c1ccc(F)cc1 914581945 HDJHCDMDVURXID-HAKLDRHFSA-N 460.509 4.041 50 10 JIGE COc1c(C(=O)NN=Cc2c(C)nn(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2C)ccc2ccccc12 1084277744 KXQOAAQPMMESPL-UHFFFAOYSA-N 488.460 4.231 50 10 JIGE CC(C)(C)OC(=O)N1CCCC[C@H]1CCNS(=O)(=O)c1ccc(CBr)cc1 1260511726 LTGCSHQAAAJSBI-INIZCTEOSA-N 461.422 4.040 50 10 JIGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)CCc2ncc3ccccn23)cc1 1866897679 JQBVCQMSRHOHQE-HSZRJFAPSA-N 469.570 4.206 50 10 JIGE CN(CC1CC(Br)C1)C(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21 1881362237 CMSMVJUEBKJVRZ-UHFFFAOYSA-N 457.368 4.157 50 10 JIGE O=S(=O)(NCC[C@H]1CCC[C@H]1Br)c1cc(Br)ccc1Br 1913791111 CLSDGTZXCDIYGE-MWLCHTKSSA-N 490.055 4.444 50 10 JIGE CN(C[C@@H](Cl)COCc1ccccc1)C(=O)c1ccc(F)cc1I 1916355810 YYNQLWDVPGYPNI-CQSZACIVSA-N 461.702 4.327 50 10 JIGE Brc1cc(I)cnc1N1C[C@H]2C[C@H](Br)C[C@H]1C2 2015763012 SOEFTIVCVBXYPY-OYNCUSHFSA-N 471.962 4.201 50 10 JIGE C[C@@H](Nc1ncc(I)cc1Br)c1nnc(CCl)s1 2072469972 SXGFOIQAHDPPKZ-RXMQYKEDSA-N 459.538 4.212 50 10 JIGE O=C(c1cc(Br)cc(Br)c1)N1C[C@@H]2CC[C@@H](Br)[C@H]2C1 2087936595 KCMRUMHPMRXIEX-AQUOVQTQSA-N 451.984 4.457 50 10 JIGE Cn1ncc(Br)c1[C@@H](Br)c1cc(Br)c2c(c1)CCO2 2090465522 XJCIBDRPQSSDIB-NSHDSACASA-N 450.956 4.364 50 10 JIGE O=C(c1cccc(Br)c1Br)N1C[C@@H](CBr)C2(CC2)C1 2092336369 XFWPDCJXVLRJEO-SECBINFHSA-N 451.984 4.459 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1CC[C@@H]2[C@@H](CBr)[C@@H]2C1 2093137995 PKNKDHXCTNBBGL-YUSALJHKSA-N 454.533 4.048 50 10 JIGE CC1(C)[C@@H](Cl)C[C@H]1CNC(=O)c1ccc(I)c(Br)c1 2097947843 BAMFAJHFQHDWSR-CABZTGNLSA-N 456.549 4.437 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CC[C@@H](CBr)C12CC2 2133807946 GBLHCGLTTIWLPK-JTQLQIEISA-N 498.984 4.443 50 10 JIGE O=S(=O)(Nc1ccc(Br)c(Cl)c1Cl)N1CCC(Br)CC1 2162202940 YETASFYBSPETHP-UHFFFAOYSA-N 467.010 4.272 50 10 JIGE O=C(c1ccc(F)cc1I)N1C[C@@H](Br)C2(CCCC2)C1 2174364044 KNUXRZLITVCNGB-CYBMUJFWSA-N 452.105 4.210 50 10 JIGE CC1(C)C(=O)Nc2ccc([C@@H](Br)c3cc(I)sn3)cc21 2176539074 OXGZEKBVXWNHEZ-GFCCVEGCSA-N 463.138 4.462 50 10 JIGE C[C@H]1CN(Cc2ccccc2)CCCN1S(=O)(=O)Cc1cccc(CBr)c1 2179773958 AVBJNIDLDNBKKT-SFHVURJKSA-N 451.430 4.008 50 10 JIGE O=S(=O)(c1ccc(F)c(CBr)c1)N1CCCN(Cc2ccccc2)CCC1 2179789658 TZMIXYLTBDDHHW-UHFFFAOYSA-N 455.393 4.007 50 10 JIGE Cc1nn(CCBr)c(C)c1S(=O)(=O)N(Cc1ccccc1)CC1CCCC1 2179860216 OQGSULRAHWCCDU-UHFFFAOYSA-N 454.434 4.276 50 10 JIGE O=C(COc1ccc2ccccc2c1)NN=Cc1cc(Br)c(O)c(O)c1Br 2297710430 WZALCSOVTOLZJM-UHFFFAOYSA-N 494.139 4.305 50 10 JIGE NNC(=O)C=Cc1cc(Cl)c(OCc2cccc(Br)c2)c(Br)c1 2314019504 LBKKGDPSANJEID-UHFFFAOYSA-N 460.553 4.447 50 10 JIGE CCn1nc(Br)c(COc2cccc(CBr)c2Br)n1 2351856908 GHQXURRYRRUERC-UHFFFAOYSA-N 453.960 4.297 50 10 JIGE COC1CC2(CC(CO[C@@]3(CI)CCCN(C(=O)OC(C)(C)C)C3)C2)C1 2353043470 JOXRGIKQMRMTIH-HICUWGHXSA-N 479.399 4.413 50 10 JIGE O=C(NNC(=O)c1ccccc1[N+](=O)[O-])c1ccc(OCCc2ccccc2)c(Br)c1 14669650 FZMIMYMNRSPNAW-UHFFFAOYSA-N 484.306 4.054 50 10 JIGE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)/C(C#N)=C3/Nc4ccccc4S3)cc2)C1 17244397 IUCWAHAWAPQOON-WYTGLPIOSA-N 453.589 4.489 50 10 JIGE O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 20530652 GZILMRMEXWVWCT-VULFUBBASA-N 459.437 4.116 50 10 JIGE N#C/C(C(=O)CN1CCN(Cc2ccccc2)CC1)=C1\NC(c2ccc(Cl)cc2)=CS1 22035846 ZYNQKJICGAZUKL-FLFQWRMESA-N 450.995 4.097 50 10 JIGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNC(=O)C(c1ccccc1)c1ccccc1)[C@H](Br)C2=O 35548861 JGAJUQKLCYRNOM-WVQWTBLQSA-N 483.406 4.125 50 10 JIGE Nc1c(NNC(=O)c2cccc3ccccc23)ncnc1N1CCC(Cc2ccccc2)CC1 40729404 XQVSZVVMYHIQQF-UHFFFAOYSA-N 452.562 4.428 50 10 JIGE COc1cc(/C=C(\C#N)C(N)=O)ccc1OC(=O)COc1cc(C)c(Br)cc1C(C)C 40948220 DDZWJEWJNXOLOT-LZYBPNLTSA-N 487.350 4.266 50 10 JIGE C#CCOc1ccc(/C=N/NC(=O)CSCc2ccc(Cl)cc2)cc1Br 59158869 UAMPJGCWUHHMNW-SSDVNMTOSA-N 451.773 4.498 50 10 JIGE COc1ccc(N2C(=O)[C@@H](Cc3ccccc3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242256 GBRBLPCRMQRSAA-CKVBZJJFSA-N 459.527 4.031 50 10 JIGE FC(F)c1nc(CBr)c(I)cc1I 238577466 PEPALHUJAUGCGR-UHFFFAOYSA-N 473.824 4.123 50 10 JIGE C[C@H]1CC[C@@H](Br)CN1C(=O)c1cc(I)ccc1Br 399434914 TWHOEDYMATXEIG-DTWKUNHWSA-N 486.973 4.442 50 10 JIGE O=C(CBr)c1cc(OC(F)F)c(Br)cc1I 575681900 DVUTUTOVNAEZNN-UHFFFAOYSA-N 469.845 4.233 50 10 JIGE CC(C)(C)c1ccc(C(=O)NNC(=O)NC2CCN(Cc3coc(-c4ccccc4)n3)CC2)cc1 726275771 YVNXKNRIEIAHMQ-UHFFFAOYSA-N 475.593 4.248 50 10 JIGE Cc1ccc(C)c(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(O)c(O)c2)c1 1865680859 YJHIVDWCARDIAE-SFHVURJKSA-N 456.424 4.196 50 10 JIGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1cc(OC)c(O)c(OC)c1)C(C#N)=C(N)O2 1865715068 UYXMRVGKXOCDLD-JOCHJYFZSA-N 460.534 4.133 50 10 JIGE CSCC[C@@H](NC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C)C(=O)Nc1ccc(SC#N)cc1 1867206237 QVBAUAKWDBERFX-LJQANCHMSA-N 482.631 4.004 50 10 JIGE C[C@@H]1[C@@H](Br)CCN1C(=O)c1cc(I)ccc1Br 1914448218 LESHGURJCBKFIA-XCBNKYQSSA-N 472.946 4.052 50 10 JIGE Cc1nccc(-n2nc(CBr)c(I)c2C(F)(F)F)c1C 2078924371 YJBQKYQQNOVHJI-UHFFFAOYSA-N 460.035 4.402 50 10 JIGE Cc1cc(-n2nc(CBr)c(I)c2C(F)(F)F)c(C)cn1 2078927177 NQGGHIODQHFNOU-UHFFFAOYSA-N 460.035 4.402 50 10 JIGE CN(C(=O)c1ccc(I)cc1)[C@H](CCBr)C(F)(F)F 2122000481 IEJXEMMIOSAVBP-SNVBAGLBSA-N 450.036 4.079 50 10 JIGE CC[C@H]1CN(C(=O)c2ccc(I)c(Br)c2)C[C@@H]1CCl 2140770688 LBYUDKFPGURMNP-ONGXEEELSA-N 456.549 4.391 50 10 JIGE CC[C@@H]1CN(S(=O)(=O)c2cc(Cl)c(Br)s2)C[C@@H]1CBr 2140781982 FGTUOSDLEPASMB-SFYZADRCSA-N 451.633 4.206 50 10 JIGE CC1(C)CC[C@H](CBr)N(C(=O)Cc2ccccc2I)C1 2143873626 UMIPSJXVKBCEAL-CYBMUJFWSA-N 450.158 4.246 50 10 JIGE C[C@@H]1CCN(Cc2ccccc2)CCN1S(=O)(=O)c1ccc(CBr)cc1F 2179788133 YLKJSCSFBSJUIX-MRXNPFEDSA-N 455.393 4.006 50 10 JIGE O=S(=O)(c1ccc(CBr)cc1Cl)N1C[C@H]2C[C@H]1CN(Cc1ccccc1)C2 2179795771 WBTSZHMVWRJKGC-ROUUACIJSA-N 469.832 4.130 50 10 JIGE Cc1cc(Br)c([C@H](Br)C2CS(=O)(=O)C2)c(C)c1Br 2220139241 AEWMHWXVBOZZLT-GFCCVEGCSA-N 461.013 4.309 50 10 JIGE CCOC(=O)c1cnn(-c2cccc(Cl)c2)c1NC(=O)C(C#N)=Cc1ccc(OC)cc1 2329622654 WDKMQNYACVGCDZ-UHFFFAOYSA-N 450.882 4.257 50 10 JIGE COC(=O)c1c(NC(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)sc(C(C)=CC#N)c1C 2331557594 PFFQKTAZUDCABZ-SFHVURJKSA-N 465.531 4.029 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@@]2(CCl)CC[C@H]1C2 2336466337 QMVZMIPFYLVHAN-HZMBPMFUSA-N 454.533 4.287 50 10 JIGE N#CC1=C(N)Oc2[nH]nc(-c3cccc([N+](=O)[O-])c3)c2[C@@H]1c1cc(Br)ccc1F 2483973 SQYAOFULSRLSIM-OAHLLOKOSA-N 456.231 4.105 50 10 JIGE O=C(N/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)c1cc(-c2ccccc2)nc2ccccc12 20530310 OXTMNICKRDSJNH-ZMOGYAJESA-N 457.402 4.188 50 10 JIGE COc1cc(/C=N/NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)cc(Br)c1OC 33959153 LAPQTJIONLNTIY-PGCIDKTFSA-N 455.736 4.346 50 10 JIGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2cc(C)cc(C)c2C)c(OC)c1 40989455 YKWIKSRXXZVIQA-FYJGNVAPSA-N 450.535 4.428 50 10 JIGE Cc1sc(Br)cc1S(=O)(=O)N[C@H]1c2ccccc2C[C@@H]1Br 137002226 GPCDTOSAZPHULJ-FZMZJTMJSA-N 451.205 4.158 50 10 JIGE CCN(CC)c1ccc(C=NNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1 254847219 XZBARQJISDNKNB-UHFFFAOYSA-N 450.564 4.098 50 10 JIGE Cc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2c(O)ccc3ccccc23)cc1 254873256 IBDBSPPKBYEQND-UHFFFAOYSA-N 466.497 4.195 50 10 JIGE CC(C)(C)OC(=O)N1C[C@H](CI)[C@H](c2cc(Br)ccc2N)C1 382731616 UTPLLBDNGXTGOW-GXFFZTMASA-N 481.172 4.417 50 10 JIGE C[C@@H]1C[C@@H](Br)CN1C(=O)c1cc(Br)ccc1I 384925071 FOLPHOCNDBRPPN-VXNVDRBHSA-N 472.946 4.052 50 10 JIGE C[C@H]1CN(S(=O)(=O)c2cc(Br)ccc2Br)C[C@]1(C)CBr 694712436 ANAOXFOYFUCDTR-ZANVPECISA-N 490.055 4.253 50 10 JIGE C[C@H](COCc1ccccc1)CC(CBr)(CBr)[C@H]1CCS(=O)(=O)C1 719435636 BTHYFBHPPHQNBP-RDJZCZTQSA-N 482.278 4.440 50 10 JIGE O=C(COc1ccc(Cl)c(Cl)c1)NNC(=O)c1ccc(Br)cc1Cl 728829606 WCKNOMDVJZCGIB-UHFFFAOYSA-N 452.519 4.249 50 10 JIGE CCN(C[C@](C)(CI)O[C@@H]1COC2(CCC2)C1)C(=O)OC(C)(C)C 2020646718 PYMLMBZWXZGLJD-YOEHRIQHSA-N 453.361 4.165 50 10 JIGE CN(CC(F)(F)CBr)C(=O)c1cc(Cl)ccc1I 2033566429 BLVTYHZQAGIRBS-UHFFFAOYSA-N 452.464 4.047 50 10 JIGE O=S(=O)(N[C@H]1CCC[C@@H]1CCBr)c1cc(Cl)c(Br)s1 2090622258 VQTHCJQMSIRFJU-APPZFPTMSA-N 451.633 4.396 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@H](Cl)[C@H](C2CC2)C1 2090673662 IUZGUJWLQAUZFE-RYUDHWBXSA-N 454.533 4.143 50 10 JIGE CC(F)(F)C[C@@H](CBr)NS(=O)(=O)c1cc(Cl)c(Br)s1 2113231082 OJXQSLOSNXUUEI-YFKPBYRVSA-N 461.575 4.251 50 10 JIGE O=C(N[C@H]1C(F)(F)C12CC(NC(=O)[C@H](Br)C1CCCC1)C2)OCc1ccccc1 2142152364 JTCWHPFHEWRVNQ-URTYCYGZSA-N 471.342 4.149 50 10 JIGE CC[C@@H]1CC[C@@H](NS(=O)(=O)c2ccc(CBr)cc2)CN1C(=O)OC(C)(C)C 2162588374 FJBZJQRCAVMDGQ-HZPDHXFCSA-N 461.422 4.038 50 10 JIGE C[C@H]1CN(S(=O)(=O)c2cc(Br)ccc2Br)CC[C@H]1CBr 2165331568 URWBRGRCENVQIP-UWVGGRQHSA-N 490.055 4.253 50 10 JIGE O=C(c1cc(Br)ccc1Br)N1CCC[C@H](OCCBr)C1 2170214204 RQACNBKDWCLSSN-NSHDSACASA-N 469.999 4.228 50 10 JIGE CC(C)[S@](=O)(=NCC1(CBr)CCOCC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2183217307 WXMSGBVHBKKNGE-RKOGDMNLSA-N 467.470 4.064 50 10 JIGE CCN(C[C@](C)(CI)OCc1ccc2c(c1)OCO2)C(=O)OC(C)(C)C 2272070355 WKYZWVZTXCDIGL-IBGZPJMESA-N 477.339 4.383 50 10 JIGE C[C@@H](Br)CN(CC(C)(C)C)C(=O)c1cc(I)ccc1O 2288062509 VOMJJPNFAXCNPO-SNVBAGLBSA-N 454.146 4.269 50 10 JIGE CCCCNC(=O)C(C#N)=Cc1ccc(OCC(=O)Nc2ccccc2OCC)c(OCC)c1 2293190876 JCWVRPHBWKTBDZ-UHFFFAOYSA-N 465.550 4.325 50 10 JIGE C=CCNC(=O)C(C#N)=Cc1ccc(OC(=O)[C@H](C)Oc2ccc(Cl)cc2C)c(OC)c1 2293198144 YSONDQMIMAEVDL-INIZCTEOSA-N 454.910 4.239 50 10 JIGE CC(C=Cc1ccccc1)=NNC(=O)CCCSc1nnc(-c2ccccc2Br)n1N 2313588988 INVFMMGJOUAMEA-UHFFFAOYSA-N 499.438 4.499 50 10 JIGE O=C(NCCSCCCCl)c1cc(Br)ccc1I 2314045692 KOYXSEDMCDESTP-UHFFFAOYSA-N 462.578 4.146 50 10 JIGE N#CC(=Cc1ccccc1)C(=O)N[C@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 2325306873 FXWGKWAPVLFFNF-AREMUKBSSA-N 482.536 4.345 50 10 JIGE CC(C)CCOc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(Cl)cc2Cl)c1 14644877 DMBKDRUYJIJVRC-UHFFFAOYSA-N 454.379 4.368 50 10 JIGE C=CCn1c(CCc2ccccc2)nnc1SCC(=O)N/N=C/c1ccc(Br)cc1 20161225 XTAFXVMJYQGQFO-BUVRLJJBSA-N 484.423 4.254 50 10 JIGE CCCOc1c(Cl)cc(/C=N\NC(=O)CCc2nc3ccccc3nc2O)cc1OCC 169887163 VPGFWKJMECXTQA-QFEZKATASA-N 456.930 4.259 50 10 JIGE COc1ccc(C=NNC(=O)/C(=C\c2cccs2)NC(=O)c2ccccc2Cl)c(OC)c1 252631874 VNMHHLZVQQSNBS-PHAXAQHFSA-N 469.950 4.340 50 10 JIGE COc1cc(OC)c(OC)cc1C=NNC(=O)c1cc(-c2ccc3c4c(cccc24)CC3)n[nH]1 254555124 XAXYTUMQXZMLEO-UHFFFAOYSA-N 456.502 4.118 50 10 JIGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc(OC)cc3)cc2OC)cc1 254716195 NQAVGDFXSOOHRI-UHFFFAOYSA-N 462.502 4.476 50 10 JIGE C[C@@H]1CN(S(=O)(=O)c2cc(CCl)ccc2Br)CCN1Cc1ccccc1 396336968 KMQYEVZWZZYTPU-OAHLLOKOSA-N 457.821 4.083 50 10 JIGE COC(=O)c1cccc(-n2c(C)cc(C=NNC(=O)c3ccccc3Br)c2C)c1 1084313436 OHCDWYAIVDZVDX-UHFFFAOYSA-N 454.324 4.407 50 10 JIGE Cc1ccc(C(=O)NN=C2CCCc3oc(C(=O)N4CCN(c5ccccc5F)CC4)c(C)c32)cc1 1772745292 XJTAZSZQTNIEQQ-UHFFFAOYSA-N 488.563 4.468 50 10 JIGE COc1cc(C=NNC(=O)CCCOc2ccc(C)cc2Br)cc(OC)c1OC 1772755583 NBNWMLUXKARAQC-UHFFFAOYSA-N 465.344 4.093 50 10 JIGE Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2cccc([N+](=O)[O-])c2)cc1 1865705629 AJSARXGAWLZLIP-QGZVFWFLSA-N 455.396 4.385 50 10 JIGE COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2)cc1OC 1865712266 UKQNBEOVXHDYAL-IBGZPJMESA-N 486.450 4.194 50 10 JIGE O=S(=O)(N(Cc1ccccc1)Cc1ccccc1)N1CCC[C@@H](CCBr)C1 1882229998 PFIZCGMEAPMEHB-NRFANRHFSA-N 451.430 4.431 50 10 JIGE CC(C)(CBr)N(Cc1ccccc1)Cc1ncc(I)cn1 1893719785 QGZODGJDGFSRJJ-UHFFFAOYSA-N 460.157 4.257 50 10 JIGE CN(C[C@H](Br)COCc1ccccc1)C(=O)Cc1ccc(Br)cc1 1916388524 SGWXWQQEZDAELY-SFHVURJKSA-N 455.190 4.430 50 10 JIGE COc1ccc(Oc2ncc(Br)c(CCl)n2)cc1I 2089805665 FYIYCESISURQLQ-UHFFFAOYSA-N 455.477 4.383 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1CC2(CC(CBr)C2)C1 2129954256 GJTKHWFLWFKCDB-UHFFFAOYSA-N 454.533 4.192 50 10 JIGE C=CC[C@H](CBr)CNS(=O)(=O)c1cc(Br)ccc1Br 2137398351 ZXOQOHZBTIMQCH-SECBINFHSA-N 476.028 4.077 50 10 JIGE O=C(N[C@@H]1COC2(CCC2)[C@@H]1Br)c1cc(Br)c(Br)s1 2141547077 WQMBMUOPOZDKDV-VXNVDRBHSA-N 474.012 4.088 50 10 JIGE C[C@](CCl)(NC(=O)c1ccc(Br)cc1I)C(F)(F)F 2142285021 KKAAMTGMODMSMI-SNVBAGLBSA-N 470.454 4.343 50 10 JIGE O=C(N[C@@H]1C[C@H](CCl)[C@H]2C[C@@H]21)c1ccc(Br)cc1I 2142285706 SXVYBBRSIGBBBJ-DRYIUFOISA-N 454.533 4.047 50 10 JIGE CCN1CCC[C@@H]([C@H](Br)c2c(Br)cccc2Br)S1(=O)=O 2150503377 LOYYSPSYSDVRGU-AAEUAGOBSA-N 490.055 4.462 50 10 JIGE C[C@H]1C[C@H](N(C)S(=O)(=O)c2ccc(CCl)c(Br)c2)CN1Cc1ccccc1 2154840685 SZOOACGTEMKNJI-YJBOKZPZSA-N 471.848 4.471 50 10 JIGE CC(C)(C)OC(=O)N(CC(F)F)[C@@H]1CCCN(CC2(CBr)CCOCC2)C1 2163057483 BVBOCMKJKGOJPA-OAHLLOKOSA-N 455.384 4.145 50 10 JIGE CO[C@@H]1CC(O[C@@H](CI)c2ccc(Br)cc2)C[C@H]1OC 2166412539 DQYNOLVTKUMXEV-KFWWJZLASA-N 455.130 4.134 50 10 JIGE O=C(c1ccc(F)cc1I)N1CCC[C@@H](CCCBr)C1 2234181534 MAFPDZNXSARSLA-LLVKDONJSA-N 454.121 4.458 50 10 JIGE CS(=O)(=O)[C@H]1C[C@H]([C@@H](Br)c2ccc(Br)cc2Br)C1 2257626191 BEFMDXNPDPODPM-JWKOBGCHSA-N 461.013 4.471 50 10 JIGE Brc1cc(Br)cc(C[C@H](Br)[C@@H]2CO[C@H]3COC[C@H]23)c1 2277967219 ZBEGKYLGWCRDEZ-MQYQWHSLSA-N 454.984 4.179 50 10 JIGE Cc1cccn2c(=O)c(C=C(C#N)S(=O)(=O)c3ccc(Cl)cc3)c(N3CCC(C)CC3)nc12 2296732280 PZURRAFFJSTKMV-UHFFFAOYSA-N 482.993 4.231 50 10 JIGE CC1(C)CN(Cc2ccc(I)c(Br)c2)C[C@H](CCl)O1 2349826030 DHZISYPYKAXZQP-NSHDSACASA-N 458.565 4.272 50 10 JIGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)c2ccccc2OCCOc2ccccc2)cc1 14040604 MOLLKOZUWOACND-HXUWFJFHSA-N 462.546 4.498 50 10 JIGE O=C(COc1ccc2ccccc2c1)NNC(=S)NC(=O)c1ccc(OCCc2ccccc2)cc1 14041878 XNFQVVSESUZFEY-UHFFFAOYSA-N 499.592 4.176 50 10 JIGE CC(C)COc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Br)cc1 14644468 YGJOBZDDPRIXHT-ZDUSSCGKSA-N 469.763 4.366 50 10 JIGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)c(C)c4)ccc32)cc1 38683588 GTBFDKSXFRBAOU-AREMUKBSSA-N 484.508 4.293 50 10 JIGE COc1ccc(OC)c(Nc2ncnc(NNC(=O)C(c3ccccc3)c3ccccc3)c2N)c1 40754257 YTCHMTQWAVAEOK-UHFFFAOYSA-N 470.533 4.095 50 10 JIGE Cc1c(C(=O)Nc2ccncc2)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 40811758 MAZPQZFDNWXVTG-YZSQISJMSA-N 467.323 4.468 50 10 JIGE Cc1ccc(NC(=O)CN2C(=O)/C(=N/NC(=O)[C@H](C)SCc3ccccc3)c3ccccc32)cc1 59167532 NNUUOKRFOFEHJR-SVALULGQSA-N 486.597 4.123 50 10 JIGE CN(CC1CC(Br)C1)C(=O)c1cc(Br)ccc1I 234280897 JKICPHZFODHDBN-UHFFFAOYSA-N 486.973 4.299 50 10 JIGE O=C(NCCCCI)c1cc(C(F)(F)F)ccc1Br 236143424 FBJYDLUVIAYKBU-UHFFFAOYSA-N 450.036 4.413 50 10 JIGE COc1ccc(C=NNC(=O)c2ccc(Cl)cc2)cc1OS(=O)(=O)c1ccc(C)cc1 252591151 AXYAHYYRKZZFRN-UHFFFAOYSA-N 458.923 4.189 50 10 JIGE CCOc1cc(C=NNC(=O)c2ccc(C)cc2OC)ccc1OS(=O)(=O)c1ccc(C)cc1 254383379 VLYNYDMEKPCUAS-UHFFFAOYSA-N 482.558 4.242 50 10 JIGE Cn1cc([C@@H](Br)c2cc(I)ccc2Br)cn1 686207200 XMNLKDDTKHWPMW-LLVKDONJSA-N 455.919 4.272 50 10 JIGE Cn1ncc(Cl)c1[C@H](Br)c1cc(I)cc2c1OCC2 696432778 IZTGITQONFMTNX-LLVKDONJSA-N 453.505 4.097 50 10 JIGE CC(/C=C/c1ccccc1)=NNC(=O)CCCSc1nnc(-c2ccc(Br)cc2)n1N 1084332912 IVLGLTJPTNNUQS-HWFJCVRDSA-N 499.438 4.499 50 10 JIGE COc1ccc(CNC(=O)C(=O)NN=Cc2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)cc1 1084419130 WZQGDDSEVIKRRC-UHFFFAOYSA-N 473.360 4.176 50 10 JIGE C/C(=C\C(=O)NNC(=O)COc1ccccc1Br)c1ccccc1C(F)(F)F 1644567285 FOOGPYBGCGWUIJ-ZRDIBKRKSA-N 457.246 4.098 50 10 JIGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(N(C)C)cc1)C(C#N)=C(N)O2 1865683977 RYFPFCHFLHPARB-HXUWFJFHSA-N 464.367 4.481 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2Cl)[C@H]1c1ccccc1C(=O)O 1865704552 YPKZZWLLVVJRIG-HNNXBMFYSA-N 460.799 4.461 50 10 JIGE COCCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 1866214113 RMEQAVVAHJSLGO-OBGWFSINSA-N 452.466 4.033 50 10 JIGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)C[C@@H]2CC(=O)c3ccccc32)cc1 1867235995 RZLPTGCNRVJUKC-MHECFPHRSA-N 485.565 4.392 50 10 JIGE COc1cc(C(=O)NC/C(O)=C(\C#N)c2nc(-c3ccc(F)c(F)c3)cs2)cc(OC)c1OC 1872751488 KEUQAHYGYVAXNA-JXAWBTAJSA-N 487.484 4.337 50 10 JIGE O=C(N[C@@H](CSC[C@H]1C[C@@H]1Br)C(=O)O)OCC1c2ccccc2-c2ccccc21 1881366104 LELIJQGYTGSLAN-CWVNLOTRSA-N 476.392 4.495 50 10 JIGE O=C(N[C@@H]1CC[C@@H](Br)C1)c1cc(Br)ccc1I 2008594196 MHKFJVGAASKVFP-VXNVDRBHSA-N 472.946 4.100 50 10 JIGE CC[C@H]1[C@H](CBr)CCN1c1ncc(I)cc1Br 2015758924 OGDZQTTWCBRLMS-KWQFWETISA-N 473.978 4.449 50 10 JIGE CCOc1ccc(I)c(OC(F)(F)F)c1C(=O)CBr 2055052513 TULQDLRPPCHLEL-UHFFFAOYSA-N 452.992 4.166 50 10 JIGE CCCCCC[C@@H]1[C@H](CC[C@H](O)CCC)C=C2[C@@]3(C)CC4=C(C(=O)OC4=O)[C@H]1[C@@]2(OC)OC3=O 2080450595 YOJPQRLCNIGWGF-NTLLRXBLSA-N 474.594 4.376 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@@H]2C[C@@H](CCl)[C@@H]2C1 2142288418 KIZVVDBVPPCYKD-AUTRQRHGSA-N 454.533 4.001 50 10 JIGE CCn1cc(CC(CBr)(CBr)c2ccc(Br)cc2)nn1 2143656668 DVOXCPLLAAHYHS-UHFFFAOYSA-N 466.015 4.331 50 10 JIGE CSCC[C@@H](Cl)CCNS(=O)(=O)c1cc(Br)ccc1Br 2146556382 WRMPZSBYZZIIJQ-JTQLQIEISA-N 465.660 4.241 50 10 JIGE O=S(=O)(c1ccc(CBr)c(Cl)c1)N1C[C@H]2C[C@H]1CN(Cc1ccccc1)C2 2179860880 YZVDSIFDWHULDN-WMZOPIPTSA-N 469.832 4.130 50 10 JIGE O=S(=O)(c1ccc(Br)c(CCl)c1)N1C[C@@H]2CCN(Cc3ccccc3)[C@H]2C1 2188884923 LFPQGXBKZLAKRN-JXFKEZNVSA-N 469.832 4.083 50 10 JIGE O=S(=O)(c1ccc(Br)c(CCl)c1)N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 2188884926 LFPQGXBKZLAKRN-UZLBHIALSA-N 469.832 4.083 50 10 JIGE O=C(N[C@@H](CBr)[C@@H]1CC=CCC1)c1cccc(F)c1I 2196161333 WZILNVBSCSTDTF-MFKMUULPSA-N 452.105 4.280 50 10 JIGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(Br)o2)cc1 2295523543 FYRGTJJTZYDYTO-UHFFFAOYSA-N 481.350 4.029 50 10 JIGE N#CC(=C(O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1nc(-c2ccc3c(c2)OCCO3)cs1 2331330710 CCWHUQKCZILFII-GOSISDBHSA-N 459.527 4.423 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1CC[C@@H](Br)[C@@H]2CC[C@@H]21 2331940283 BSLBZAPVAHKXBM-CWSCBRNRSA-N 454.533 4.333 50 10 JIGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@H]1CCCC[C@H](Br)C1 2364213073 DOUTUSHDEKBZQK-ROUUACIJSA-N 499.471 4.106 50 10 JIGE CCc1cc2c3c(c1)[C@@]1(C(=O)N3C(C)(C)C[C@]2(C)c2ccccc2)C(C#N)=C(N)Oc2[nH]nc(C)c21 2444438 GIEQNIXMXWDHTL-FQLXRVMXSA-N 479.584 4.488 50 10 JIGE CCOCCOc1ccc(C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 9820085 LEBZWEWXWZLYEC-UHFFFAOYSA-N 493.398 4.002 50 10 JIGE CC(C)(C)c1cc(Br)ccc1OCC(=O)NNC(=O)COc1ccc(Cl)cc1 14668162 WYKRJVNIWXBQMS-UHFFFAOYSA-N 469.763 4.005 50 10 JIGE N#CC1=C(N)Oc2cc(OC(=O)c3cc4ccccc4oc3=O)ccc2[C@@H]1c1ccccc1F 38687937 JMKFPRKVBBCKOC-QHCPKHFHSA-N 454.413 4.369 50 10 JIGE COc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1 39992856 HKLZGRUMMKPERO-SAPNQHFASA-N 470.460 4.489 50 10 JIGE O=C(N/N=C1\C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21)c1ccccc1[N+](=O)[O-] 59166165 BUMZZTZWCDOSAS-QQTULTPQSA-N 497.280 4.177 50 10 JIGE CCOc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccco2)C(=O)CCl)cc1OC 97914641 QACRVVIWIHDOOG-QHCPKHFHSA-N 462.974 4.445 50 10 JIGE CCC[C@H](Br)CNS(=O)(=O)c1cc(Br)c(C)cc1Br 134636315 PKHHXWZOYCYUCP-VIFPVBQESA-N 478.044 4.362 50 10 JIGE CCOc1ccc(N(C(=O)/C(C#N)=C\c2ccccc2OC)S(=O)(=O)c2ccccc2)cc1 207132951 LRIPHDJSBBPMQT-JZJYNLBNSA-N 462.527 4.423 50 10 JIGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)c2ccncc2)cc1OC 254494266 LZDLLLWAORZBSO-UHFFFAOYSA-N 455.470 4.235 50 10 JIGE CCOc1ccccc1OCC(=O)NN=Cc1ccc(OCC(=O)/C=C\c2ccc(OC)cc2)cc1 254625123 WDMZSHAKVVNORJ-LNETUXGUSA-N 488.540 4.284 50 10 JIGE CCN(CC)c1ccc(C=NNC(=O)[C@@H](C)Nc2ccc(I)cc2C)cc1 254819766 VTQKJOSIBSTYNI-MRXNPFEDSA-N 478.378 4.397 50 10 JIGE C[C@@H](Br)C[C@H]1CCCCN1C(=O)c1ccc(I)c(O)c1 312442803 XELVCXMNGCTJIO-ZYHUDNBSSA-N 452.130 4.165 50 10 JIGE CO[C@@]1(c2cc(OP(=O)(O)O)ccc2Cl)OO[C@]12[C@H]1C[C@H]3C[C@@H]2C[C@@](Cl)(C3)C1 605691681 NOXRGRGCSIAHSL-PSJSRTJLSA-N 451.239 4.129 50 10 JIGE O=C(c1cc(Br)c(Br)s1)N1CCS[C@H](CBr)C1 720016230 PSZNRQXLSBDRKS-ZCFIWIBFSA-N 464.042 4.226 50 10 JIGE CCN1CC[C@H](CNC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Br)cc3)c2C)C1 730936542 MDUMWIBMUWDCJI-BDBXIWDTSA-N 455.400 4.222 50 10 JIGE N#CCCn1cc(/C=C(/C#N)C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)c(-c2ccccc2)n1 742484313 DQENLXABZHUAOT-XGPRFBRNSA-N 478.600 4.399 50 10 JIGE COc1ccc(-c2nn(CCC#N)cc2/C=C(/C#N)C(=O)OCc2ccccc2C)cc1OC 765864270 HMLJAVCVPCUJHV-BKUYFWCQSA-N 456.502 4.440 50 10 JIGE COc1cc(C=NNC(=O)CSc2nnc(CCc3ccccc3)n2-c2ccccc2)ccc1O 1083969378 QZFHRJRWVSNBSR-UHFFFAOYSA-N 487.585 4.009 50 10 JIGE COc1cc([N+](=O)[O-])ccc1-n1nc(C)c(C=NNC(=O)c2ccc3ccccc3c2OC)c1C 1084379197 GWTTXMNMXAMTEA-UHFFFAOYSA-N 473.489 4.332 50 10 JIGE CCc1ccccc1NC(=O)CNC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(OC)cc2)c1C 1087382447 BKFCMJLOLYSZHT-PXLXIMEGSA-N 456.546 4.327 50 10 JIGE CC(=O)N(C)c1ccc(CNC(=O)NNc2cc(C(F)(F)F)ccc2Br)cc1 1637026850 RUARSOLYNBNGJR-UHFFFAOYSA-N 459.266 4.277 50 10 JIGE Cc1ccc(CNC(=O)c2oc3c(c2C)C(=NNC(=O)c2cncc(Br)c2)CCC3)cc1 1772748366 WNEARJKLENIEPA-UHFFFAOYSA-N 495.377 4.454 50 10 JIGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)c(Cl)c2)cc(OC)c1O 1865714774 PWURARCCCDGNHX-FQEVSTJZSA-N 487.343 4.488 50 10 JIGE CCC[C@H](CBr)Cn1c(C)nc(I)c1I 1928097441 GWJGKYDUEBULEO-MRVPVSSYSA-N 496.956 4.212 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1985351056 ZMYHIGQAICVOFC-GVDBMIGSSA-N 461.694 4.128 50 10 JIGE Cc1nn(C)c(Br)c1C(=O)N(Cc1ccccc1)[C@H](CBr)C1CC1 2013204944 PIULOICKJCDRDO-OAHLLOKOSA-N 455.194 4.307 50 10 JIGE CC(C)[C@@H](CBr)NC(=O)c1ccc(Br)cc1I 2026217529 LLNXNQIYZWMNEG-LLVKDONJSA-N 474.962 4.203 50 10 JIGE N#Cc1ccc(-c2ccc(OCC(=O)NNC(=O)C=Cc3cccc(C(F)(F)F)c3)cc2)cc1 2040436491 PZNGPOKBLONOFL-UHFFFAOYSA-N 465.431 4.484 50 10 JIGE CS(=O)(=O)c1csc([C@@H](Br)c2cc(I)ccc2F)c1 2113350225 BMMZQXJEZORIGJ-LBPRGKRZSA-N 475.142 4.380 50 10 JIGE O=S(=O)(C[C@@H](Br)c1cc(Br)c(Cl)s1)N1CCCCC1 2115930780 PGCPFKLEYKWMRL-SECBINFHSA-N 451.633 4.416 50 10 JIGE C[C@@H](Br)C[C@@H]1COCCN1C(=O)c1csc(Br)c1Br 2128882749 XVKMGEKSEDJSPY-HTQZYQBOSA-N 476.028 4.288 50 10 JIGE O=S1(=O)CC[C@H](C(CBr)(CBr)Cc2csc(Br)c2)C1 2139778403 BDTFWLLJJYQRKB-JTQLQIEISA-N 495.096 4.264 50 10 JIGE O=C(c1ccc(F)cc1I)N1CCC[C@H](CCBr)CC1 2149747065 ZRIKUVVYHVOPSS-LLVKDONJSA-N 454.121 4.458 50 10 JIGE CC(C)(C)[C@H]1C[C@@H](CBr)CN(S(=O)(=O)[C@H]2C[C@H](OCc3ccccc3)C2)C1 2164997703 DAAOFIRSIBONNT-MUGJNUQGSA-N 458.462 4.443 50 10 JIGE Cc1ccc(CBr)cc1S(=O)(=O)N(C)C1CCN(Cc2ccccc2)CC1 2179788706 GKEZCOZSLQPRDS-UHFFFAOYSA-N 451.430 4.175 50 10 JIGE Cn1nc(Br)c([C@H](Cl)c2sc(Br)cc2Br)n1 2210970789 UWDZNUCOVKHCHN-YFKPBYRVSA-N 450.381 4.492 50 10 JIGE CC(C)(C)OC(=O)N1CCC(CI)(OC2CC3(CC(F)C3)C2)CC1 2249865489 RDQYKXDRKUTVQN-UHFFFAOYSA-N 453.336 4.488 50 10 JIGE COc1cc(C=C(C#N)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCO3)ccc1OCCC(C)C 2297382503 OLNCWZGTNRJLBS-UHFFFAOYSA-N 467.478 4.345 50 10 JIGE C[C@H]1CC2CC(COC3(CI)CCN(C(=O)OC(C)(C)C)CC3)(C2)O1 2319563237 QHOBFTMHCJAXHQ-XVTSOASTSA-N 465.372 4.165 50 10 JIGE CCCOc1c(C=NNC(=O)c2cccn(Cc3cccc(Cl)c3)c2=O)cccc1OC 2323652241 ZAKSMDUPBAUXME-UHFFFAOYSA-N 453.926 4.111 50 10 JIGE N#CC(=CN1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)Nc1ccc(C(=O)O)cc1 2324305816 KQQCXHHVTIRQMD-UHFFFAOYSA-N 466.541 4.138 50 10 JIGE COc1c(C)cc(C)cc1-c1csc(C(C#N)=C(O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)n1 2331376290 QXDQDZPRJCXKMV-UHFFFAOYSA-N 490.497 4.433 50 10 JIGE CC[C@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2-c2ccccc2)cc1 10294875 WVICPQNRXAUHET-SFHVURJKSA-N 477.586 4.245 50 10 JIGE Cc1nc(-n2nc(-c3cccs3)cc2NC(=O)[C@@H](C)Cl)[nH]c(=O)c1Cc1ccccc1 11855401 JYAKQLHYGDCLEA-CYBMUJFWSA-N 453.955 4.149 50 10 JIGE O=C(COc1ccc(Cl)cc1Cl)NNC(=O)COc1ccc(Cl)cc1Br 13979586 HHOLPAIQFBNFFB-UHFFFAOYSA-N 482.545 4.015 50 10 JIGE Cc1cc(OCC(=O)NNC(=S)NC(=O)c2ccccc2OCCC(C)C)cc(C)c1Cl 14034357 AAFQUXHPOVOQMV-UHFFFAOYSA-N 478.014 4.096 50 10 JIGE COc1cc(OC)cc(C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)c1 33957549 DYMFFBVMKMJPPQ-VULFUBBASA-N 467.909 4.139 50 10 JIGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)cc1 38650353 LCGKKMFNMHRTCB-OWJWWREXSA-N 460.461 4.425 50 10 JIGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)cc1 38683516 GESQUEMJPFOWDI-IZHWHUGBSA-N 488.471 4.203 50 10 JIGE Cc1c(C(=O)Nc2ccc(Cl)cn2)oc2c1/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)CCC2 40813047 JBQSBWLRBMBOSS-WGOQTCKBSA-N 467.869 4.267 50 10 JIGE N#C/C(=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1nc(O)c2c3c(sc2n1)CCCC3 97990719 YZUWWDZLRXJALT-PTNGSMBKSA-N 463.519 4.085 50 10 JIGE O=C(N[C@H]1CCC[C@H]1Br)c1cc(I)ccc1Br 232452340 ZADMPSYWNDBWHV-MNOVXSKESA-N 472.946 4.100 50 10 JIGE Cc1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)cc1N 382716082 KJEHRUWRIMGHRW-MSOLQXFVSA-N 450.320 4.364 50 10 JIGE C[C@H]1C[C@@H](C)CN(C(=O)COC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)C1 782094411 GIWOIKBOFLJJFA-BBQTYTTNSA-N 479.968 4.072 50 10 JIGE C=CCn1nc(C)c(C=NNC(=O)CCCSc2nc3ccc([N+](=O)[O-])cc3s2)c1C 1084277801 OXXDHYDTYYKAQX-UHFFFAOYSA-N 458.569 4.226 50 10 JIGE Nn1c(SCCCC(=O)NN=C/C=C/c2ccccc2)nnc1-c1ccc(Br)cc1 1084629564 OUOWMQYHHKYJTH-IDVZRFEFSA-N 485.411 4.109 50 10 JIGE Cc1ccc(-c2nnc(CCC(=O)NNC(=O)c3cn(-c4ccccc4)nc3-c3ccccc3)o2)cc1 1086909660 OCGLYQLWKGIDMK-UHFFFAOYSA-N 492.539 4.292 50 10 JIGE CCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3CC)cc1OC 1865693610 XGOJJVJXVNMHFC-GOSISDBHSA-N 461.360 4.380 50 10 JIGE N#C/C(=C\c1cccc(Br)c1)C(=O)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 1866366457 GEVNWWHQIFVGRQ-QYAMMSNYSA-N 450.380 4.481 50 10 JIGE COc1cc(Br)cc(/C=N/NC(=O)CCCCCNC(=O)OC(C)(C)C)c1OC 1873795606 SWYHYAHTXXTRJT-YDZHTSKRSA-N 472.380 4.002 50 10 JIGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@H]1C[C@H](Br)C1 1877387774 GNKMEADEMRUATL-JYJNAYRXSA-N 457.368 4.203 50 10 JIGE CC(C)(C)OC(=O)N1CC[C@@](COCc2ccccc2)(C(=O)NC[C@H]2C[C@@H](Br)C2)C1 1991417531 FNXSUAGOLAIMOM-SELNLUPBSA-N 481.431 4.120 50 10 JIGE O=C(N[C@@H](CCl)CC(F)F)c1ccc(Br)cc1I 2086138896 HSQPHWWQINYMIX-SSDOTTSWSA-N 452.464 4.046 50 10 JIGE C[C@@H](CCCCCI)NC(=O)Cc1ccccc1I 2117887912 RLBDGQLECUUBTQ-LBPRGKRZSA-N 485.147 4.334 50 10 JIGE C[C@@H]1CN(C(=O)c2cc(Br)sc2Br)C[C@H](CCBr)O1 2122793703 XZOMTXQLWFHOJW-SFYZADRCSA-N 476.028 4.288 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CC[C@H](Cl)[C@H]1C1CC1 2130609065 XAQUFDTZAKSLOX-QWHCGFSZSA-N 454.533 4.286 50 10 JIGE O=C(c1cc(Br)c(Br)s1)N1CC[C@@H](OCCCBr)C1 2142055989 LJZVDPBNDSRFIH-MRVPVSSYSA-N 476.028 4.289 50 10 JIGE Cn1nnc(Br)c1CC(CBr)(CBr)Cc1ccccc1 2145947809 PCJJDKUXDGHCQY-UHFFFAOYSA-N 466.015 4.139 50 10 JIGE O=C(c1cccc(F)c1I)N1[C@H](CBr)C[C@@H]2CCC[C@H]21 2164661510 GCBKCHXHHRFXRX-OUJBWJOFSA-N 452.105 4.208 50 10 JIGE CCSC1CCN(S(=O)(=O)c2cc(CBr)sc2Br)CC1 2179775531 LYTVXROCJYYXCQ-UHFFFAOYSA-N 463.282 4.312 50 10 JIGE Cc1oc(C)c(S(=O)(=O)N(C)C2CCN(Cc3ccccc3)CC2)c1CBr 2179786090 VOHDZJUNAVIGDA-UHFFFAOYSA-N 455.418 4.076 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1CC[C@H](C(F)(F)CBr)C1 2197764684 VTMVLCPGYNCFEZ-QMMMGPOBSA-N 478.502 4.437 50 10 JIGE C[C@@]12CC[C@@](CBr)(C1)N(C(=O)c1cccc(F)c1I)C2 2199489384 FOIGQRVCKZHGOA-CABCVRRESA-N 452.105 4.210 50 10 JIGE CCS(=O)(=O)C[C@H](Br)c1cc(Br)c(Br)cc1F 2213489727 NBRTXMZQIFIMQC-VIFPVBQESA-N 452.965 4.221 50 10 JIGE O=S1(=O)C[C@H]2[C@@H](C1)[C@@H]2[C@H](Br)c1cc(Br)c(Br)cc1F 2225616934 KKTGRWUUDQDXSZ-RQJHRRTKSA-N 476.987 4.077 50 10 JIGE COc1ccc([C@@H](Br)c2cn(C)nc2Br)cc1I 2257356665 UZZVTSZGZYZIGU-LLVKDONJSA-N 485.945 4.280 50 10 JIGE CC(C)(C)OC(=O)NC(C)(C)c1csc(NS(=O)(=O)CCC(CCl)CCl)n1 2282796097 ASSIVWWQRVVUGT-UHFFFAOYSA-N 460.449 4.129 50 10 JIGE COc1ccc(C=C(C#N)C(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2)cc1 2314754393 QZJUENJQRPQTPX-UHFFFAOYSA-N 453.454 4.024 50 10 JIGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1CCS1(=O)=O 2317424074 SKZVMBODDHDCTQ-APPZFPTMSA-N 464.976 4.282 50 10 JIGE C[C@@H](C(=O)NNC(=O)C=Cc1ccc(Cl)cc1Cl)n1cnc2sc3c(c2c1=O)CCCC3 2325885171 KUQBKKKCQDTZLF-LBPRGKRZSA-N 491.400 4.065 50 10 JIGE CN(CCn1cc(Br)cn1)c1ccc(Br)cc1CBr 2336511967 AKYKDYSZDLYXQQ-UHFFFAOYSA-N 451.988 4.439 50 10 JIGE Clc1ccc(CN2CCO[C@@H]3C[C@@H](CBr)C[C@@H]32)c(I)c1 2366714467 IYBZVKAANPMKIK-NZVBXONLSA-N 470.576 4.319 50 10 JIGE CC[C@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2[C@H](C)CC)cc1 10294907 NCVXOECMBSKLIE-SJORKVTESA-N 457.596 4.092 50 10 JIGE O=C(COc1cccc2ccccc12)NC(=S)NNC(=O)c1sc2ccccc2c1Cl 12574010 OMRPLAWIIHWCBF-UHFFFAOYSA-N 469.975 4.422 50 10 JIGE COc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccccc3OC)nc3ccccn3c2=O)cc1 34718478 AXXOMNYAAMAJAF-ICFOKQHNSA-N 468.469 4.050 50 10 JIGE Cc1c(C(=O)Nc2ccc(Cl)cn2)oc2c1/C(=N/NC(=O)COc1ccccc1)CCC2 40816121 HRRHDBQFCKDENP-WPWMEQJKSA-N 452.898 4.124 50 10 JIGE CCOc1cc(C=NNC(=O)c2ccc(Cn3nc(C)c(Br)c3C)cc2)ccc1O 252622518 NXEXBPLUDCJKBK-UHFFFAOYSA-N 471.355 4.179 50 10 JIGE CCOc1ccc(-n2c(SCC(=O)NN=C(C)c3cccnc3)nnc2-c2ccccc2)cc1 254834982 PELUUGRMVFZFJJ-UHFFFAOYSA-N 472.574 4.361 50 10 JIGE O=C(NC[C@H]1CCC[C@H](CBr)C1)c1ccc(F)cc1I 380425487 YMEZCOOQTYXZQX-QWRGUYRKSA-N 454.121 4.361 50 10 JIGE COc1ccc(O)c([C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)c1 382679549 AXHDHLHLMJRRGT-MAUKXSAKSA-N 467.303 4.188 50 10 JIGE Cn1ncc(Br)c1[C@@H](Br)c1cc(Br)cc2c1OCC2 693072032 WFNCUBVCKLYYJL-NSHDSACASA-N 450.956 4.364 50 10 JIGE N#CCCn1cc(/C=C(/C#N)C(=O)NCCOc2cccc(F)c2)c(-c2ccc(Cl)cc2)n1 915176225 GQEMMQXXXIVSLY-AQTBWJFISA-N 463.900 4.358 50 10 JIGE COc1ccc(Br)cc1C(=O)NN=Cc1cc(Br)c(N2CCCC2)o1 1084136196 LCQQLIAQCMMDMP-UHFFFAOYSA-N 471.149 4.177 50 10 JIGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccn2)c1OC 1865700751 CSJVSSSBBKFSMV-OAQYLSRUSA-N 451.486 4.170 50 10 JIGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1C[C@H](Br)C1 1888788005 NBNAIKSDGMOFHG-VTJXTGGHSA-N 457.368 4.346 50 10 JIGE CC1(C)CN(C(=O)c2cc(Cl)ccc2I)C[C@@H]1CBr 1914532805 YWEMDZXLNRRCKM-VIFPVBQESA-N 456.549 4.438 50 10 JIGE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)C[C@@H](CBr)C1CCC1 1959576370 TVDUWLBJJXZJAT-QGZVFWFLSA-N 478.472 4.149 50 10 JIGE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H](Br)C2CCCC2)CCN1C(=O)OC(C)(C)C 1979584374 GOJSMNZRDQJJQJ-MRXNPFEDSA-N 490.439 4.172 50 10 JIGE C[C@H](Br)[C@@H]1CCN1S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2125818666 RAEYCMUIOQADHG-WKEGUHRASA-N 451.995 4.302 50 10 JIGE O=C(N[C@@H]1CC[C@H]2C[C@@]21CBr)c1cc(Br)ccc1I 2132115723 LWCTWJLLFYOBFJ-REAQECSSSA-N 498.984 4.347 50 10 JIGE Cn1ncc(Br)c1[C@H](Br)c1ccc2c(c1Br)CCO2 2229753391 NHMARNBUCANXCO-GFCCVEGCSA-N 450.956 4.364 50 10 JIGE O=C(N[C@H](CBr)c1ccsc1)c1c(F)cccc1I 2267661480 WYSHWAFZQCHHLR-LLVKDONJSA-N 454.102 4.358 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N[C@H](CCBr)C1CC1 2277913600 ACLXCWNHSDOSQX-CYBMUJFWSA-N 454.000 4.434 50 10 JIGE CCOC(=O)c1c(-n2c(C)cc(C=C(C#N)C(=O)NC[C@H]3CCCO3)c2C)sc2c1CCCC2 2294156068 JWFUCIAGEXVVCT-HXUWFJFHSA-N 481.618 4.413 50 10 JIGE CCOCCCNC(=O)C(C#N)=Cc1c(Oc2ccc(C(C)(C)C)cc2)nc2ccccn2c1=O 2296543434 AXIRXNOVJWYFOQ-UHFFFAOYSA-N 474.561 4.234 50 10 JIGE N#CC(=Cc1ccc(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])o1)C(=O)N1CCN(c2ccccc2)CC1 2313567302 INDDIMWZRBRXHL-UHFFFAOYSA-N 473.445 4.019 50 10 JIGE CCCCCn1c(=O)c(C(=O)NN=Cc2cccc(Br)c2)c(O)c2ccccc21 2328625597 XPSLCWASGQXHIU-UHFFFAOYSA-N 456.340 4.424 50 10 JIGE COc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)cc1Br 12579441 PVUWUIDIWJFBDS-UHFFFAOYSA-N 482.334 4.093 50 10 JIGE COc1cc(-c2cc(CN(C[C@@H]3CCCO3)C(=O)C(C)(C)CCl)no2)cc(OC)c1OC 34922312 UMJKOPCOYMNDON-KRWDZBQOSA-N 466.962 4.140 50 10 JIGE Cc1ccc2nc(Nc3ncnc(NNC(=O)c4cccc(Cl)c4)c3[N+](=O)[O-])sc2c1 40650513 XIORFUUTQBRKMR-UHFFFAOYSA-N 455.887 4.457 50 10 JIGE Cc1cc(Cl)ccc1OCC(=O)Oc1ccc(/C=C(\C#N)C(=O)NCc2ccco2)cc1 40934598 BYYHYQHDZHUVIR-LDADJPATSA-N 450.878 4.449 50 10 JIGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2ccc(-c3cccc(C(=O)OC)c3C)o2)cc1 58894628 ODUPGCXEJGGXAO-PVPASAESSA-N 464.518 4.404 50 10 JIGE CCCc1sc2nc(SCC(=O)NN/C=C3/C=CC=CC3=O)n(-c3ccccc3)c(=O)c2c1C 136151176 UOCVOULROQZMLJ-VKAVYKQESA-N 492.626 4.000 50 10 JIGE CCOC(=O)c1nn(-c2ccccc2)c2c1CN(C(=O)NC[C@]1(C)C[C@H](N=C=O)CC(C)(C)C1)CC2 170290586 ZEOHLCWNHKOGIF-XHCCPWGMSA-N 493.608 4.038 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N(CCBr)C2CCC2)cc1Br 228566791 IUBPPCCESAGQKL-UHFFFAOYSA-N 490.055 4.458 50 10 JIGE CCCCOc1ccc(C=NNC(=O)C(=O)Nc2sc3c(c2C(=O)OCC)CCCC3)cc1 254812809 ZYHLMSFLUUPRHG-UHFFFAOYSA-N 471.579 4.071 50 10 JIGE C[C@H]1CN(C(=O)c2ccc(I)c(Cl)c2)C[C@@H](C)[C@@H]1Br 688081828 CZWVSDGHZUYXAT-WOFXILAISA-N 456.549 4.436 50 10 JIGE CC[C@H](Br)C(=O)Nc1cc(I)cc(I)c1 690346202 MZLXTXGKEKOIKY-VIFPVBQESA-N 493.908 4.008 50 10 JIGE C[C@H]1[C@H](Br)CCCN1C(=O)c1ccc(I)c(Br)c1 721576340 FLQSVPRVQVSHHR-WCBMZHEXSA-N 486.973 4.442 50 10 JIGE C=CCn1c(SCC(=O)NNC(=O)CCC(C)C)nnc1-c1ccc(Cl)cc1Cl 727348908 BSVICEMZYBDKIW-UHFFFAOYSA-N 456.399 4.114 50 10 JIGE N#CCCn1cc(/C=C(/C#N)C(=O)Nc2cnn(Cc3ccccn3)c2)c(-c2ccc(Cl)cc2)n1 749862218 FCPQNUOYJGNWAG-UNOMPAQXSA-N 482.935 4.303 50 10 JIGE Cc1cc(C=NNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1 1084213514 YHTYCPPFKGVYIR-UHFFFAOYSA-N 486.597 4.440 50 10 JIGE Cc1cc(C=NNC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)c(C)n1-c1ccccc1Cl 1084438344 XWGVXFXXCDWOFF-UHFFFAOYSA-N 493.416 4.317 50 10 JIGE CC(C)(C)c1ccc(OCC(=O)NN=C2C(=O)N(CCOc3ccccc3)c3ccccc32)cc1 1084653918 REXLSPSGXRXVPS-UHFFFAOYSA-N 471.557 4.309 50 10 JIGE Cc1cccc(C(=O)NN=C2CCCc3oc(C(=O)NCc4ccc5c(c4)OCO5)c(C)c32)c1 1772744912 NWKYWKXDTIMWPX-UHFFFAOYSA-N 459.502 4.026 50 10 JIGE O=C(N[C@@H](CSC[C@@H]1C[C@H]1Br)C(=O)O)OCC1c2ccccc2-c2ccccc21 1877465028 LELIJQGYTGSLAN-SVIJTADQSA-N 476.392 4.495 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CN(C(=O)OC(C)(C)C)C2(CCC2)C1 1985347023 MAVLPEGFKBZZAN-INIZCTEOSA-N 461.694 4.414 50 10 JIGE O=C(NC[C@H](CBr)C1CC1)c1ccc(I)c(Br)c1 2029470028 PWIANMLAEJYXES-JTQLQIEISA-N 486.973 4.205 50 10 JIGE C[C@@](CBr)(NC(=O)c1cc(Br)ccc1I)C(F)F 2043175700 CERPDCVVCVZMSF-NSHDSACASA-N 496.915 4.202 50 10 JIGE CCOC(=O)Cc1cc(I)c(CBr)cc1OC(F)(F)F 2055276079 QLBPSBJDJSKLOE-UHFFFAOYSA-N 467.019 4.190 50 10 JIGE O=C(CCl)c1c(I)cc(C(F)(F)F)cc1I 2060052508 DIXRSKXGZPYUPM-UHFFFAOYSA-N 474.385 4.336 50 10 JIGE FC1(F)CCN(c2ncc(I)cc2Br)C[C@@H]1CBr 2069529696 SCCPTIFCFHISBI-ZETCQYMHSA-N 495.931 4.305 50 10 JIGE Cn1nnc(Br)c1C[C@H](CBr)Cc1ccc(Br)cc1 2089734249 GENUYVYTKMNNBT-SNVBAGLBSA-N 451.988 4.136 50 10 JIGE Cn1ncc([C@@H](Cl)c2cc(Br)c3c(c2)CCO3)c1I 2090466435 FKQUPXDVLSYDBS-NSHDSACASA-N 453.505 4.050 50 10 JIGE O=C(NC[C@]1(F)C[C@H](CBr)C1)c1ccc(I)c(Cl)c1 2112237079 BLOFSGVOFROVOI-XCSCGOTBSA-N 460.512 4.188 50 10 JIGE C[C@@H]1CN(S(=O)(=O)c2ccc(CBr)c(Cl)c2)CCN1Cc1ccccc1 2123201236 UGBCBHLUMOTTRS-OAHLLOKOSA-N 457.821 4.130 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@H]2C[C@@H](Br)C[C@H]2C1 2128664784 VBAJTEVYMZHVHK-JGPRNRPPSA-N 498.984 4.299 50 10 JIGE Cn1cc(CCC(CBr)(CBr)c2cccc(Br)c2)nn1 2164344556 OSVQTKRESCYVBG-UHFFFAOYSA-N 466.015 4.238 50 10 JIGE Cc1ccc(C(=O)N[C@@H](CCBr)C(F)(F)F)cc1I 2224615810 HRPHIOJLGJKYJZ-JTQLQIEISA-N 450.036 4.045 50 10 JIGE CC(C)[C@H](CI)NC(=O)Cc1cc(Br)cc(Br)c1 2263498270 VXPOYTGYXHHKOJ-LBPRGKRZSA-N 488.989 4.330 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1[C@H]2CC[C@H]1[C@@H](CBr)C2 2268351535 LSABQPWXAVBLMW-NRUUGDAUSA-N 454.533 4.333 50 10 JIGE C=C1CC(CBr)(NS(=O)(=O)c2cc(Br)c(C)cc2Br)C1 2280077210 AJZATTWTSDQMAK-UHFFFAOYSA-N 488.039 4.282 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)NC1CC([C@H](F)CBr)C1 2295311976 RIPZUMORYIGVAQ-UTVJUBTNSA-N 471.990 4.382 50 10 JIGE COC(=O)c1ccc(C(=O)OC)c(NC=C(C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 2295948572 NCSRCPPRLQGYQU-UHFFFAOYSA-N 464.459 4.268 50 10 JIGE CCN(C[C@](C)(CI)OC[C@H]1CCC[C@H](C)O1)C(=O)OC(C)(C)C 2301122165 IHXSDVZDLDJDBB-DAYGRLMNSA-N 455.377 4.411 50 10 JIGE COCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(C)c(F)c2)C(C)=C(C#N)C1=O 2314618424 NIEXAZZUNPDYQO-UHFFFAOYSA-N 470.504 4.226 50 10 JIGE COCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)C[C@H](C)O3)C(C)=C(C#N)C1=O 2314618716 SFXRRWHFHFMWBT-SFHVURJKSA-N 494.551 4.101 50 10 JIGE C=CCN(CC=C)S(=O)(=O)c1ccc2nc(NC(=O)C(C#N)=Cc3ccccc3)sc2c1 2325312895 QZIHTYCSVIPZOI-UHFFFAOYSA-N 464.572 4.205 50 10 JIGE CC[C@@H](Br)[C@H]1CCCCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364207246 ZQNNPPIPRLTAAM-WOJBJXKFSA-N 499.471 4.201 50 10 JIGE Cn1nc(Br)c(Br)c1C(=O)Nc1ccc(CBr)c(F)c1 2367666129 HWPYLYCUYSLUDJ-UHFFFAOYSA-N 469.934 4.231 50 10 JIGE Cl[C@H]1CN(Cc2ccc(I)c(Br)c2)C[C@]2(CCCO2)C1 2377340707 VIUJNDLHCDPXIW-DOMZBBRYSA-N 470.576 4.416 50 10 JIGE Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=O)COc2ccc(Br)cc2C(C)C)c1 9231600 JYKAFYHWXUDRBW-UHFFFAOYSA-N 490.398 4.134 50 10 JIGE COc1ccc(/C=N/NC(=O)COc2c(C)cc(Br)cc2Br)cc1 12482767 NBHFCPLGUNWLIX-AWQFTUOYSA-N 456.134 4.058 50 10 JIGE C#CCOc1ccc(Br)cc1/C=N/NC(=O)C(Oc1ccccc1)Oc1ccccc1 20156976 KDVAVDCPZDZBFM-YZSQISJMSA-N 479.330 4.395 50 10 JIGE COc1cc(/C=N/NC(=O)c2cnccn2)cc(Br)c1OCc1ccccc1Cl 20228393 UOUGJBPOIVOXEM-KIBLKLHPSA-N 475.730 4.244 50 10 JIGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3[N+](=O)[O-])ccc2[C@H]1c1ccc(Cl)cc1 38651311 NCRHQZIBCZHMCU-HSZRJFAPSA-N 477.860 4.451 50 10 JIGE O=C(Cc1ccccc1)NNc1ncnc(Oc2ccc(Br)c3cccnc23)c1[N+](=O)[O-] 40659412 LOWRFGJGLAQEON-UHFFFAOYSA-N 495.293 4.174 50 10 JIGE COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)cc(I)c1O 59483551 CSYBRGCTFXPQEI-WDZFZDKYSA-N 454.651 4.204 50 10 JIGE CCOc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc(O)n2)cc(Cl)c1OC(C)C 169923199 QGKPWLSWXDLGQA-DHRITJCHSA-N 454.914 4.452 50 10 JIGE COc1ccccc1/C=C(/C#N)C(=O)Oc1ccc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1OC 206397939 CHISHYKHNSMENG-SYPWFLMXSA-N 493.519 4.440 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CCC[C@@H]1CBr 232464800 QWEWXFVRFCLBPA-SECBINFHSA-N 472.946 4.053 50 10 JIGE C[C@H](CBr)[C@@H](C)NC(=O)c1cc(Br)ccc1I 235417661 QZVKECWWSQHVML-HTQZYQBOSA-N 474.962 4.203 50 10 JIGE Cc1nn(-c2ccccc2)c(N2CCCCC2)c1/C=N/NC(=O)CSc1nc2ccccc2n1C 253573632 RQTWIPQZFYWPBH-WPWMEQJKSA-N 487.633 4.300 50 10 JIGE CN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1cc(CCl)ccc1Br 380769858 ROTLZYVXXZOOLA-UHFFFAOYSA-N 471.848 4.473 50 10 JIGE C=CCn1c(CNc2ccccc2)nnc1S[C@@H](C)C(=O)NN=CC(Cl)(Cl)Cl 1084372622 DBLBWFLHQYOOTO-LBPRGKRZSA-N 461.806 4.029 50 10 JIGE CC(=O)c1ccc(Nc2ccccc2C(=O)NNC(=O)c2ccccc2Br)cc1 1135495861 YFDPKZDRQMYAML-UHFFFAOYSA-N 452.308 4.470 50 10 JIGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@@H](c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 1614633492 LAEMGOQXAUWWSZ-CRAIPNDOSA-N 464.272 4.250 50 10 JIGE C/C(=C/c1ccc(OC(F)(F)F)cc1)C(=O)NNc1nc(-c2ccccn2)nc2c1CCC2 1641273237 SHTZGFYCQZKVQC-YPKPFQOOSA-N 455.440 4.473 50 10 JIGE C=C1CCC(CNC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(OC)c(OC)c2)CC1 1651540926 IKYOLRUBKMDTSC-BKUYFWCQSA-N 459.550 4.251 50 10 JIGE CCCCCN1C(=O)C(=NNC(=O)c2ccc([N+](=O)[O-])cc2)c2cc(Br)ccc21 1772752511 WKZSUQVTFNVVSD-UHFFFAOYSA-N 459.300 4.028 50 10 JIGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(C)cc2)c(OC)c1 1865708625 ZPJWGLJFGIOODK-SFHVURJKSA-N 456.424 4.435 50 10 JIGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)cc1 1865709699 ZTAYCIHPHVRPJA-KRWDZBQOSA-N 472.398 4.094 50 10 JIGE CC(C)(C)OC(=O)N(CCC(=O)NC(C)(C)C(=O)Nc1ccc(SC#N)cc1)Cc1ccccn1 1867081095 QUAQIEUVQNSEMA-UHFFFAOYSA-N 497.621 4.315 50 10 JIGE COc1cc(C(=O)NC/C(O)=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)cc(OC)c1OC 1872752118 NYLPMFZBNOGASH-VLGSPTGOSA-N 469.494 4.198 50 10 JIGE CC1(C)CN(S(=O)(=O)c2csc(CBr)c2)CCCN1Cc1ccccc1 1879329860 ARZFVJXBCSFPQZ-UHFFFAOYSA-N 457.459 4.318 50 10 JIGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@H]1C[C@H]1Br 1883562418 BIGQXEYBSUFZDK-RTOPAQNCSA-N 471.395 4.449 50 10 JIGE CN(C[C@H]1C[C@H](Br)C1)[C@@H](CN)c1cc(Br)cc(Br)c1 1887893428 QIMQKZIGISPAOW-CHIMOYNISA-N 455.032 4.317 50 10 JIGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1ccccc1I 1902789862 BXHOEBZIQAFZOB-HNNXBMFYSA-N 488.163 4.391 50 10 JIGE BrCc1cc(Br)cc(Br)c1OCC[C@H]1COCCO1 1916635783 IDBXJKCMTQKVCO-NSHDSACASA-N 458.972 4.291 50 10 JIGE CC(C)(C)OC(=O)N1CCOC2(CCC3(CCC[C@@H](CI)O3)CC2)C1 2040451117 JUVGZXQCPPJJQU-MNNVXMFVSA-N 465.372 4.309 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@@H]2C[C@H](C[C@H]2Br)C1 2107291902 CJAQAYLAJSWMFN-VDDIYKPWSA-N 498.984 4.299 50 10 JIGE C[C@H]1CN(C(=O)c2cc(Br)sc2Br)C[C@H](CCBr)O1 2122793704 XZOMTXQLWFHOJW-YUMQZZPRSA-N 476.028 4.288 50 10 JIGE CN(C[C@@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(CBr)cs1 2123231170 AUHDPMFOJVSMBK-KRWDZBQOSA-N 457.459 4.176 50 10 JIGE C[C@@H](Cl)[C@@H](NC(=O)c1ccc(Br)cc1I)C(F)(F)F 2142282446 DJINVRNBBQWBFI-MLUIRONXSA-N 470.454 4.342 50 10 JIGE C[C@@H]1CN(C(=O)c2ccc(Br)cc2Br)C[C@H](CCBr)O1 2179375761 QRHIKHMYRDXXSV-KOLCDFICSA-N 469.999 4.226 50 10 JIGE CS(=O)(=O)C1([C@@H](Br)Cc2cc(Br)cc(Br)c2)CC1 2263524615 IIUVTNSRDOHNIM-NSHDSACASA-N 461.013 4.095 50 10 JIGE O=C(N[C@H]1C[C@H](CBr)[C@H]2C[C@@H]12)c1csc(Br)c1Br 2309229997 DONXIIGREFXKJP-PULFBKJNSA-N 458.013 4.422 50 10 JIGE CCOc1cc(C=C(C#N)C(=O)N(C)C)c(Br)cc1OCc1ccc(C(=O)O)cc1 2313568639 VOEUQZMSEMQJRO-UHFFFAOYSA-N 473.323 4.120 50 10 JIGE COc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(Cl)cc1C 2314737480 OETQFBDGFYZVDR-UHFFFAOYSA-N 480.904 4.458 50 10 JIGE COc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2)c(OC)c1 2314753525 AEECEUBQCCIGJE-UHFFFAOYSA-N 458.470 4.139 50 10 JIGE C[C@@H](Br)C[C@H]1COCCN1Cc1ccc(Cl)c(I)c1 2337213812 CWYHYGMZMFWPFC-PWSUYJOCSA-N 458.565 4.319 50 10 JIGE COc1cc(Cl)c(CBr)c(-n2ccnc2CCN2C(=O)c3ccccc3C2=O)c1 2340234868 HYDPOPQEZRKCFZ-UHFFFAOYSA-N 474.742 4.268 50 10 JIGE O=C(CCS(=O)(=O)c1ccccc1)N(/N=C/c1ccco1)c1nc2ccc(F)cc2s1 9148862 HGGWOBIHFAITLD-OEAKJJBVSA-N 457.508 4.260 50 10 JIGE COc1ccc(NC(=O)COC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(F)cc3)c2C)c([N+](=O)[O-])c1 11459394 DPQUVCMJJJPDQV-WOJGMQOQSA-N 492.463 4.239 50 10 JIGE CCOC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc([N+](=O)[O-])cc3O)c2C)cc1 34781595 LWFMPCIZWADLNT-UNOMPAQXSA-N 474.473 4.430 50 10 JIGE O=C(NNc1ncnc(Oc2cccc3cccnc23)c1[N+](=O)[O-])c1ccc(Cl)c([N+](=O)[O-])c1 40618493 GNROFSKFJOGKNI-UHFFFAOYSA-N 481.812 4.044 50 10 JIGE CCOc1ccc(/C=C(\C#N)C(=O)N(c2ccc(OC)cc2)S(=O)(=O)c2ccccc2)cc1OC 40977733 SBJBFGQRZUDHHK-CAPFRKAQSA-N 492.553 4.432 50 10 JIGE COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)/C2=C(\C)NNC(=O)c2cccs2)cc1 205964388 QOSHTEICODPKPR-XSFVSMFZSA-N 489.582 4.326 50 10 JIGE COc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1cc(C)cc(C)c1 206405014 ZXLLQGSYGVPMBY-NDENLUEZSA-N 460.486 4.113 50 10 JIGE COc1ccc(CC(=O)Nc2ccc(C(C)=NNC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)cc1 252619412 LOTCHWYSTYWEMT-UHFFFAOYSA-N 460.490 4.247 50 10 JIGE COC(=O)Oc1ccc(C=NNC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1OC 254303105 QCDUHCJNXBAAER-UHFFFAOYSA-N 473.529 4.163 50 10 JIGE O=C(NN=C1C(=O)N(CN(Cc2ccccc2)Cc2ccccc2)c2ccccc21)c1cccnc1 254396061 HKBOOANMQWAZMK-UHFFFAOYSA-N 475.552 4.222 50 10 JIGE COc1ccc(C(C)=NNC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)cc1OC 254744219 UZYZPFYOYVNHLM-UHFFFAOYSA-N 488.569 4.035 50 10 JIGE O=S(=O)(c1cc(CCl)ccc1Br)N1CC[C@H](COCc2ccccc2)C1 383986550 IALJNOQMWTZBQM-KRWDZBQOSA-N 458.805 4.415 50 10 JIGE O=C(NC1(CBr)CCCCCC1)c1cc(I)ccc1O 713490069 MMBWGMDVOXTRKN-UHFFFAOYSA-N 452.130 4.215 50 10 JIGE N#CCCn1cc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccc(Cl)cn2)c(-c2ccc(Cl)cc2)n1 782086206 BSFVWTWGQMDYEO-MHWRWJLKSA-N 495.326 4.254 50 10 JIGE Cc1ccc(C(C)C)c(OCC(=O)NN=C2C(=O)N(Cc3ccc([N+](=O)[O-])cc3)c3ccccc32)c1 1083932443 KCPCMYQSUDPBTN-UHFFFAOYSA-N 486.528 4.473 50 10 JIGE COc1cc(C=NNC(=O)c2ccc(Br)cc2)ccc1OCc1ccc(C(=O)O)cc1 1084013367 YSBQEGPZWZBASQ-UHFFFAOYSA-N 483.318 4.499 50 10 JIGE C#Cc1cccc(NC(=S)NNC(=O)c2cc(C(=O)c3cccc4ccccc34)cn2C)c1 1303280059 ARPMJOXZMKATKT-UHFFFAOYSA-N 452.539 4.022 50 10 JIGE Cc1ccc(OC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2ccc([N+](=O)[O-])cc2)CCC3)cc1 1772746984 GFBSNCBGIXZPHR-UHFFFAOYSA-N 461.474 4.423 50 10 JIGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)c2cc(-c3ccco3)on2)cc1 1866643525 HAVPOLUXNYCAPE-LJQANCHMSA-N 474.498 4.193 50 10 JIGE CSCC[C@H](NC(=O)CCCc1ccc2c(c1)OCCO2)C(=O)Nc1ccc(SC#N)cc1 1866788579 CDHSSAJDBWCCGZ-FQEVSTJZSA-N 485.631 4.230 50 10 JIGE N#CSc1ccc(NC(=O)[C@@H](NC(=O)CCc2nc(O)c3ccccc3n2)c2ccccc2)cc1 1867260797 JRDVJNPCIBDJDO-DEOSSOPVSA-N 483.553 4.337 50 10 JIGE O=C(NC[C@@]1(CBr)C[C@H]1C(F)(F)F)c1csc(I)c1 1877497809 WYYOZOIRFVPXEP-XCBNKYQSSA-N 468.076 4.046 50 10 JIGE CC1=C(Br)CCN(S(=O)(=O)c2cc(CBr)oc2Br)C1 1893042193 NRLIIXBHHVUPSK-UHFFFAOYSA-N 478.000 4.000 50 10 JIGE CCOC(=O)c1ccc(CBr)c(OC(F)(F)F)c1I 2055272115 HAYCYZINJUOPSJ-UHFFFAOYSA-N 452.992 4.261 50 10 JIGE CCc1ccc(C(=O)CBr)c(I)c1I 2060137016 MMFJBNBAWXRRFY-UHFFFAOYSA-N 478.893 4.036 50 10 JIGE O=C(CCl)c1cc(I)c(I)c(C(F)F)c1 2060384022 KLMLDZXVEQSANF-UHFFFAOYSA-N 456.395 4.255 50 10 JIGE CN1CCC[C@@H]([C@@H](Br)c2ccc(Br)cc2Br)S1(=O)=O 2089533096 WOOKVQXPQITVMV-RYUDHWBXSA-N 476.028 4.072 50 10 JIGE O=S(=O)(N[C@H]1CC[C@H](CBr)C1)c1cc(Br)ccc1Br 2090015096 RTHPASKTFRFZGZ-WPRPVWTQSA-N 476.028 4.054 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@H]2[C@H](Cl)CC[C@H]2C1 2142278841 IRLRLDQTNPNCMY-XXILOJSOSA-N 454.533 4.143 50 10 JIGE CCN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(CBr)cc1 2143597899 KGNPKUFYGQLWSP-UHFFFAOYSA-N 451.430 4.257 50 10 JIGE C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(CCl)c(Br)c2)CN1Cc1ccccc1 2154840682 SZOOACGTEMKNJI-CRAIPNDOSA-N 471.848 4.471 50 10 JIGE CC(C)(C)OC(=O)N1CCCN([S@](C)(=O)=NCC2(CBr)CCCCC2)CC1 2163664889 QYEDFBPGZWYCJA-HHHXNRCGSA-N 466.486 4.287 50 10 JIGE CN(C1(CBr)CCSCC1)S(=O)(=O)c1cc(Cl)c(Br)s1 2171173501 XKEBIHZFMIXMSS-UHFFFAOYSA-N 483.700 4.445 50 10 JIGE C[C@H]1CN(C(=O)c2cc(I)ccc2F)CC[C@@H]1CCBr 2172461869 ASSKEQITGFIGFC-QWRGUYRKSA-N 454.121 4.314 50 10 JIGE C[C@@H]1CC[C@@H](N(C)S(=O)(=O)c2cc(CBr)sc2Br)CS1 2179785509 NKDNLABUXLAWAN-RKDXNWHRSA-N 463.282 4.310 50 10 JIGE Cc1csc(CBr)c1S(=O)(=O)N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 2179818094 VIFUSUJCDMMQSP-ZWKOTPCHSA-N 469.470 4.094 50 10 JIGE CC(C)C(F)(F)CN(C)S(=O)(=O)c1cc(CBr)sc1Br 2185371056 OSVIMNKZPXTRDD-UHFFFAOYSA-N 455.184 4.317 50 10 JIGE Cc1ccc(C(=O)N2CCC([C@@H](F)CBr)CC2)cc1I 2232827600 QPPMJCQBJROKGV-ZDUSSCGKSA-N 454.121 4.185 50 10 JIGE CN(C[C@H]1C[C@H](Br)C1)C(=O)Cc1cc(Br)cc(Br)c1 2277959250 QBBZTRFMLGWVIT-XYPYZODXSA-N 454.000 4.386 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1[C@H]2CC[C@H]1[C@@H](F)[C@@H](Br)C2 2283670271 SEUIHMOJUUYEIV-VDUILEQBSA-N 472.523 4.423 50 10 JIGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)c2cc3cc(Br)ccc3oc2=O)c(OC)c1 2314717163 PWOAPOGYVQVZHD-UHFFFAOYSA-N 498.285 4.253 50 10 JIGE Cc1cc(I)ccc1NC=C(C#N)C(=O)NCc1ccc(Cl)cc1 2324807312 HCESVBLYLCRBGQ-UHFFFAOYSA-N 451.695 4.389 50 10 JIGE C[C@@H]1CN(C(=O)c2ccc(Cl)cc2I)CC[C@H]1CBr 2340068683 PYGJWZGHHBKENH-ZJUUUORDSA-N 456.549 4.438 50 10 JIGE CO[C@]1(CBr)CCCN(Cc2ccc(Cl)cc2I)C1 2341027846 OXCFNHQQEGCSSX-AWEZNQCLSA-N 458.565 4.321 50 10 JIGE N#CC1=C(N)Oc2cc(OC(=O)COc3cccc(Cl)c3)ccc2[C@H]1c1ccc([N+](=O)[O-])cc1 38655069 SCYVMASQMGUXHW-HSZRJFAPSA-N 477.860 4.451 50 10 JIGE C=CCn1c(CCc2ccccc2)nnc1SCC(=O)N/N=C/c1cccc(Br)c1 58987107 RYJJPCGFNQKGMJ-BUVRLJJBSA-N 484.423 4.254 50 10 JIGE C=CCn1c(CNc2ccccc2)nnc1S[C@@H](C)C(=O)N/N=C/C(Cl)(Cl)Cl 59261662 DBLBWFLHQYOOTO-JHAVZTMOSA-N 461.806 4.029 50 10 JIGE COc1ccc(/C=C/C(=N\NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c2ccc(OC)cc2)cc1 59502035 MMIHRMYFKPKBPN-CKOUAQGCSA-N 476.445 4.368 50 10 JIGE CCOc1cc(C=NNC(=O)COc2ccccc2[N+](=O)[O-])ccc1OC(=O)c1ccc(C)cc1 254704175 BMEIQJDWISHSED-UHFFFAOYSA-N 477.473 4.050 50 10 JIGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNC(=O)c3ccc(F)cc3)cc2)cc1 254794755 KINOEKMHHKDCAE-UHFFFAOYSA-N 491.519 4.104 50 10 JIGE Cc1cc(CCl)cc(S(=O)(=O)N2CCN(Cc3ccccc3)C[C@@H]2C)c1Br 382648664 SKRWEMOXUKTNNQ-INIZCTEOSA-N 471.848 4.391 50 10 JIGE CC1(C)CC[C@H](CBr)N(C(=O)c2cc(I)ccc2O)C1 701593738 DTRXFMMBFCYHEY-LLVKDONJSA-N 452.130 4.023 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1CCS[C@@H](CCBr)C1 720043240 WXZZVGVMYYOTLZ-JTQLQIEISA-N 474.589 4.287 50 10 JIGE O=C(N[C@H](CBr)C1CCC1)c1ccc(I)c(Br)c1 721604373 OUFHBPIPLAPWHZ-GFCCVEGCSA-N 486.973 4.347 50 10 JIGE CCCC(=O)NC[C@@H]1CCCN(C(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)C1 726170765 AYTJXXBMTQBARQ-ORTNRGLGSA-N 493.011 4.179 50 10 JIGE C[C@H]1C[C@@H](C)CN(C(=O)COC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)C1 782094413 GIWOIKBOFLJJFA-JQUPEIDKSA-N 479.968 4.072 50 10 JIGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1cccc([N+](=O)[O-])c1 1084206926 PJEPXINWEZLCHT-XQNSMLJCSA-N 498.539 4.438 50 10 JIGE Nc1cc(N)nc(SCC(=O)NN=C(Cc2ccccc2)c2ccc(-c3ccccc3)cc2)n1 1084539597 FOAGGGWGRCANHH-UHFFFAOYSA-N 468.586 4.163 50 10 JIGE C=CCSc1ccccc1C(=O)NNC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccccc1 1542452303 ADLVBQWJVRBQMQ-DEOSSOPVSA-N 457.599 4.353 50 10 JIGE C#CCOc1c(Br)cc(C=NNC(=O)COc2ccc(Cl)cc2Cl)cc1OC 1565518994 XTSNCHAZHKCBQE-UHFFFAOYSA-N 486.149 4.306 50 10 JIGE CC(=O)N1C[C@H](CBr)[C@H](c2cc(Br)ccc2I)C1 1614643571 RMYNWKHUKVMCSI-JOYOIKCWSA-N 486.973 4.011 50 10 JIGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)cc1O 1865682175 HXHPATIPEPGHHN-QGZVFWFLSA-N 460.387 4.022 50 10 JIGE CN(C[C@@H](Cl)COCc1ccccc1)S(=O)(=O)c1ccc(F)cc1Br 1916348555 PLHCVZVHYYPEIK-CQSZACIVSA-N 450.757 4.033 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CC=C(CBr)CC1 2051408128 VZTCXHSIEACSGX-UHFFFAOYSA-N 484.957 4.221 50 10 JIGE C[C@]1(NS(=O)(=O)c2ccc(CBr)cc2)CCCN(C(=O)OCc2ccccc2)C1 2106295667 KAABGFDCWWLRBD-NRFANRHFSA-N 481.412 4.051 50 10 JIGE C[C@H](NS(=O)(=O)c1cc(Cl)c(Br)s1)[C@@H]1CCC[C@H]1Br 2111556513 ZKAQIOAXYNNKIS-BIIVOSGPSA-N 451.633 4.394 50 10 JIGE O=C(c1cc(I)ccc1F)N1CCC(CCCBr)CC1 2169668781 UJRNMQMSMASGSZ-UHFFFAOYSA-N 454.121 4.458 50 10 JIGE CN(Cc1ccccc1)C1CCN(S(=O)(=O)c2ccc(F)c(CBr)c2)CC1 2179794955 MFCJFPBXJQYXGH-UHFFFAOYSA-N 455.393 4.006 50 10 JIGE C[C@]1(CNS(=O)(=O)c2cc(Cl)c(Br)s2)CCC[C@@H]1Br 2271277968 UATWPYKGRRRRKO-GZMMTYOYSA-N 451.633 4.396 50 10 JIGE Cc1ccc(OCC(=O)NN=Cc2cc(Br)ccc2OC(=O)C=Cc2ccco2)cc1 2293403499 CUHICRYLMFCOAE-UHFFFAOYSA-N 483.318 4.498 50 10 JIGE O=C(NN=Cc1c(F)cccc1Cl)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2295482913 AXFRPALHFBXHFT-UHFFFAOYSA-N 465.868 4.129 50 10 JIGE COc1cc(C=C(C#N)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCc1ccc(F)cc1 2313724611 MVMUIVJIPYMGJY-UHFFFAOYSA-N 460.461 4.365 50 10 JIGE C=CCn1c(SCC(=O)NN=Cc2ccc(O)cc2)nc2scc(-c3ccccc3)c2c1=O 2320486409 KNQGRYORZIDYHS-UHFFFAOYSA-N 476.583 4.259 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CC(C)(C)[C@H]1OCc1ccccc1 2325069593 FPXYJKSSBIIAJX-WZONZLPQSA-N 484.684 4.321 50 10 JIGE O=C(c1cccc(Br)c1Br)N1C[C@H]2CC[C@H](Br)[C@H]2C1 2328747515 RKCFWXXSFJJUOK-MIMYLULJSA-N 451.984 4.457 50 10 JIGE CC(C)(C)OC(=O)NC[C@@H]1CN(C[C@@]2(CBr)CC2(F)F)C[C@H]1C(F)(F)F 2351885916 QWBPBLSRYFWMSW-GYSYKLTISA-N 451.274 4.042 50 10 JIGE Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cn(CC(=O)N2CCOCC2)c2ccccc12 1106768 SZPNLLBLADEFBL-QGOAFFKASA-N 462.937 4.008 50 10 JIGE CCCCOc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc([C@@H](C)CC)cc2)c1 14041969 HQWVTGJRXDRNAE-KRWDZBQOSA-N 457.596 4.094 50 10 JIGE COc1ccc2cc([C@H](C)C(=O)NNC(=O)[C@H](C)Oc3cccc(Br)c3)ccc2c1 24312050 YGHHBMHSTMFLOU-GJZGRUSLSA-N 471.351 4.329 50 10 JIGE COc1ccc(OCc2nnc(SCC(=O)/C(C#N)=C3\Sc4ccccc4N3C)n2C)cc1 32672039 YOQHRSVAVXLTBM-XLNRJJMWSA-N 479.587 4.041 50 10 JIGE Cc1nn(-c2ccc(F)cc2)c2nc(CCC(C)C)nc(N3CCN(C(=O)CCCl)CC3)c12 37379619 GAENKLVTCJFBPC-UHFFFAOYSA-N 472.996 4.129 50 10 JIGE CCCCCn1nc(C(=O)NNC(=O)Cc2ccc(-c3csc(C)n3)cc2)c2ccccc2c1=O 71885339 ZUDGFPPQWLPFLT-UHFFFAOYSA-N 489.601 4.022 50 10 JIGE CCC(CBr)(CBr)NS(=O)(=O)c1cc(Br)sc1C 232873663 CLRUSJCUWSDMQJ-UHFFFAOYSA-N 484.073 4.036 50 10 JIGE COc1ccc(C=NNC(=O)CCc2ccccc2)cc1CN1CCN(c2ccc(F)cc2)CC1 254499975 AOGLUKUELSIFOT-UHFFFAOYSA-N 474.580 4.239 50 10 JIGE O=S(=O)(c1cc(CCl)sc1Br)N1CCCN(Cc2ccccc2)CC1 323359461 WKCDAYWLUYYXIU-UHFFFAOYSA-N 463.850 4.146 50 10 JIGE CO[C@@H]1CCC[C@@H](OC2(CI)CCN(C(=O)OC(C)(C)C)CC2)C1 685992740 XWELVLLOMAFZTQ-HUUCEWRRSA-N 453.361 4.165 50 10 JIGE C[C@@H]1CCN(C(=O)c2cc(Br)ccc2I)C[C@H]1CCl 700414665 KAIMRPJHYSSSFR-NXEZZACHSA-N 456.549 4.391 50 10 JIGE O=C(N[C@@H]1CCCC[C@H]1Br)c1ccc(I)c(Br)c1 721570682 ASCXOSAEOBNECI-BXKDBHETSA-N 486.973 4.490 50 10 JIGE N#CCCn1cc(/C=C(\C#N)C(=O)Nc2ccc(CN3C(=O)CSC3=O)cc2)c(-c2ccccc2)n1 725713426 HCOSGWFXSKQSLA-DEDYPNTBSA-N 496.552 4.205 50 10 JIGE CC(=NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)[C@@H]1C[C@H]1c1ccccc1Cl 920358597 WKXHXEDPOVQBFJ-SFTDATJTSA-N 459.999 4.424 50 10 JIGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccccc2C(F)(F)F)c2ccccc2F)cc1 1084106958 LBGDOZASGGJTKT-UHFFFAOYSA-N 493.482 4.499 50 10 JIGE CCOc1cc(C=NNC(=O)c2ccccc2NC(=O)COc2cccc(C)c2C)ccc1O 1084303228 YJVSIMDCJKATJT-UHFFFAOYSA-N 461.518 4.189 50 10 JIGE C=CCOc1cccc(C=NNC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)c1 1084304104 BENQGSFLVSXBIQ-UHFFFAOYSA-N 481.549 4.045 50 10 JIGE CC(=O)c1c(C)[nH]c(C(=O)NNC(=O)COc2ccc(-c3ccc(C#N)cc3)cc2)c1C(C)C 1648376319 RGBVFWMEKXSGJA-UHFFFAOYSA-N 458.518 4.028 50 10 JIGE COc1ccc(NC(=O)[C@H](C)Oc2cccnc2NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1OC 1858683973 CFCDSPZMLWHAKQ-AWEZNQCLSA-N 482.449 4.024 50 10 JIGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)cc2)cc(OC)c1OC 1865693631 XOPWNNBISNWVGJ-NRFANRHFSA-N 466.925 4.137 50 10 JIGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccn2)cc1OC 1865707422 WUNHQXJTQIIKHN-JOCHJYFZSA-N 451.486 4.170 50 10 JIGE Cc1ccc(S(=O)(=O)NC/C(O)=C(\C#N)c2nc(-c3c[nH]c4ccccc34)cs2)cc1 1872751366 DOICTMVDHVURDC-FXBPSFAMSA-N 450.545 4.371 50 10 JIGE Cc1c(B(O)O)cc(N(C)C(=O)OCC2c3ccccc3-c3ccccc32)cc1C(=O)OC(C)(C)C 1887504816 BRYSROIKJAULIE-UHFFFAOYSA-N 487.361 4.015 50 10 JIGE O=C(N[C@H]1C[C@@H]([C@@H](F)CBr)C1)c1ccc(Br)cc1Br 1906433375 GBAVYMVDXDFEHS-VMAXQDLPSA-N 457.963 4.453 50 10 JIGE C=CC[C@H](CBr)NC(=O)c1ccc(Br)cc1I 2026217884 NWOCDQUAMHFPNL-SECBINFHSA-N 472.946 4.123 50 10 JIGE CN(C(=O)c1csc(I)c1)C1(CBr)CCSCC1 2051499382 PJAIZMBIFVRBCS-UHFFFAOYSA-N 460.200 4.085 50 10 JIGE CCOc1c(I)ccc(OC(F)(F)F)c1C(=O)CBr 2055052561 UZEIGNTUANQUKY-UHFFFAOYSA-N 452.992 4.166 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CC2(CC2)C[C@H]1CCl 2099148904 WWTCXWFAAHDZCN-JTQLQIEISA-N 454.533 4.287 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@@H](Br)[C@@H](C2CC2)C1 2142278646 GEDOUWDEAOIGIR-VXGBXAGGSA-N 498.984 4.299 50 10 JIGE O=S(=O)(C[C@@H](Br)c1cccc(Br)c1Br)N1CCCCC1 2148762670 XWSGVLXTUBWXPV-GFCCVEGCSA-N 490.055 4.463 50 10 JIGE CC(C)(C)[C@H]1C[C@H](CBr)CN(S(=O)(=O)C2CC(OCc3ccccc3)C2)C1 2164997709 DAAOFIRSIBONNT-ZMTPEHOPSA-N 458.462 4.443 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1CC[C@H](Br)[C@@H]2CC[C@@H]21 2190250166 QHDWFNMDCSIJPJ-NHCYSSNCSA-N 488.039 4.148 50 10 JIGE CN(C[C@H]1C[C@H](Br)C1)c1nc([C@H](CCC(=O)O)NC(=O)OC(C)(C)C)cs1 2198786308 BGWFPRWWGWTBIX-AVGNSLFASA-N 462.410 4.183 50 10 JIGE CN(CC1(CBr)CC1)C(=O)Cc1cc(Br)cc(Br)c1 2277917474 QTDLVGUOHKPJNZ-UHFFFAOYSA-N 454.000 4.388 50 10 JIGE Clc1ccc(I)c(CN2C[C@@H]3CC[C@H](CBr)O[C@H]3C2)c1 2289171702 FKMVFEWJPWHHMI-ZBINZKHDSA-N 470.576 4.319 50 10 JIGE CCN1C[C@@H](Br)[C@H](Cc2ccc(I)c(Br)c2)C1 2306216810 JZOBNPKYFROHDU-ZYHUDNBSSA-N 472.990 4.311 50 10 JIGE COCCOC[C@H](Br)CCc1ccc(I)c(Br)c1 2325209417 NVXAPUOADQHSCX-LLVKDONJSA-N 491.989 4.413 50 10 JIGE O=C(N[C@@H]1C[C@@H](CBr)[C@H]2C[C@H]21)c1cc(I)ccc1Br 2329877858 JXTMBRHTQWVJSN-OJPPFWEXSA-N 498.984 4.203 50 10 JIGE O=C(c1cc(I)ccc1Br)N1[C@H]2CC[C@H](C2)[C@H]1CCl 2330990920 DUPODUUNDJUBBT-DFAYQTQMSA-N 454.533 4.286 50 10 JIGE C[C@H](Br)CCc1cn(Cc2ccc(Cl)c(I)c2)nn1 2337192448 MAGGKCAFUITBMH-VIFPVBQESA-N 454.537 4.300 50 10 JIGE C[C@H]1CN(Cc2ccc(Cl)c(I)c2)C[C@@H](CCBr)O1 2337214108 GXSGYIVQLLSHFW-CMPLNLGQSA-N 458.565 4.319 50 10 JIGE COc1ccc(CC(=O)N(C)C[C@@H](Br)COCc2ccccc2)c(Br)c1 2338816290 GUWMIWBAHNSMSW-QGZVFWFLSA-N 485.216 4.439 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1C[C@H]2CC[C@]2(CBr)C1 2340056669 IUKXPERASMXBIS-OTYXRUKQSA-N 454.533 4.192 50 10 JIGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)[C@H](C)Oc2c(C)cc(Br)cc2C)c1 14643261 QONWGYHVWAHMIV-KRWDZBQOSA-N 477.399 4.491 50 10 JIGE CC(C)COc1ccc(C(=O)NNC(=O)c2ccccc2Br)cc1Br 14653103 MRNDDKFZBUMWHD-UHFFFAOYSA-N 470.161 4.321 50 10 JIGE Cc1cc(C(=O)CO/C(=C(\C#N)c2nnc3n2CCCCC3)C(F)(F)F)c(C)n1C[C@@H]1CCCO1 15982094 VKXAGZBBGRBZBS-XENKUQMPSA-N 491.514 4.298 50 10 JIGE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OC)cc2OC)cc1 38657212 QQFFGTAYZPMTKZ-SANMLTNESA-N 472.497 4.079 50 10 JIGE O=C(NNc1ncnc(NC(c2ccccc2)c2ccccc2)c1[N+](=O)[O-])c1ccccc1F 40650605 DYQNKQJTWSBMFS-UHFFFAOYSA-N 458.453 4.482 50 10 JIGE COc1cc(/C=C(\C#N)C(=O)NC(C)C)ccc1OC(=O)COc1ccc(Cl)cc1Cl 40877804 BSVAGDLNUYBTND-OVCLIPMQSA-N 463.317 4.418 50 10 JIGE Cc1cccc(N2CCN(c3ncnc(NNC(=O)c4cccc5ccccc45)c3[N+](=O)[O-])CC2)c1C 54520667 QCFYAOJXUDAQMS-UHFFFAOYSA-N 497.559 4.238 50 10 JIGE O=C(N/N=C/c1cc(Br)cc(Br)c1O)c1nc2ccccc2s1 59159213 APLJXYJVVBHIBJ-CNHKJKLMSA-N 455.131 4.291 50 10 JIGE CCC(C)(C)C(=O)O[C@@H]1C[C@@](C)(OO)C=C2C=C[C@H](C)[C@H](CC[C@H]3C[C@@H](O)CC(=O)O3)[C@H]21 97978326 FOGQBCWWWLNSOK-COXUTENLSA-N 450.572 4.198 50 10 JIGE COc1cc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2C[C@]3(C)C[C@@H]2CC3(C)C)cc(OC)c1OC 103763217 SWQARCBVKYUQQS-OFZLUAAZSA-N 496.564 4.399 50 10 JIGE CCC(CBr)(CBr)NS(=O)(=O)c1cc(Cl)sc1Cl 232874073 KWMYDGGXYIIFCL-UHFFFAOYSA-N 460.040 4.272 50 10 JIGE COc1cccc(-c2cc(C(=O)NN=C(C)c3ccc(NS(C)(=O)=O)cc3)c3ccccc3n2)c1 254347323 CTFBZRJWUNQBGR-UHFFFAOYSA-N 488.569 4.436 50 10 JIGE O=C(CSCc1ccc([N+](=O)[O-])cc1)NN=Cc1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 254481846 OTSHFCOQPXBJAC-UHFFFAOYSA-N 496.520 4.135 50 10 JIGE Cc1cccc(C(=O)NCC(=O)NN=Cc2c(OC(=O)c3ccccc3)ccc3ccccc23)c1 254501366 RLPKUXVGGBHSQD-UHFFFAOYSA-N 465.509 4.248 50 10 JIGE BrCC(CBr)(CO[C@H]1CCOC1)c1ccccc1Br 388531328 OIDOSDUVIRPANV-NSHDSACASA-N 457.000 4.282 50 10 JIGE Cn1ccnc1CC(CBr)(CBr)c1cccc(Br)c1 689536818 CUYUFMAUNKBYOR-UHFFFAOYSA-N 451.000 4.453 50 10 JIGE COc1ccc(C=NNC(=O)c2cccc(NC(=O)c3cccc(Br)c3)c2)cc1OC 1082753851 RGGKXJZSPARECD-UHFFFAOYSA-N 482.334 4.483 50 10 JIGE COC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)N3CCN(c4ccccc4)CC3)o2)c(C)c1 1084079254 AAAMRWPKDMXISC-HEHNFIMWSA-N 455.514 4.297 50 10 JIGE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NNC(=O)Nc1ccc(Br)cc1 1296910958 LFUQHPNEGBOANW-UHFFFAOYSA-N 458.234 4.499 50 10 JIGE COc1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)cc1[N+](=O)[O-] 1614616174 UWQYVJQFXANIQV-DLBZAZTESA-N 496.301 4.391 50 10 JIGE COc1cccc(C(=O)NN=Cc2sc(=O)n(Cc3ccc(Br)cc3)c2Cl)c1 1772719911 QJEUXMKNDVETCA-UHFFFAOYSA-N 480.771 4.147 50 10 JIGE COc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccoc2C)CCC3)c(OC)c1 1772749806 SEQUMYJWZHAAFC-UHFFFAOYSA-N 451.479 4.229 50 10 JIGE CCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865697373 QTJMTBRZCJQDHV-QHCPKHFHSA-N 460.534 4.457 50 10 JIGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Br)cc2)c(OC)c1 1865708263 RUCSPTWCAUHPNI-HXUWFJFHSA-N 467.323 4.179 50 10 JIGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)cc2)cc(OC)c1O 1865714610 MYMHAZVKVGJUBU-INIZCTEOSA-N 492.841 4.485 50 10 JIGE CCN(CC)CCNC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cccc(Br)c2)cc1 1866131787 NSVCHQWDFKHQLY-XMHGGMMESA-N 469.383 4.066 50 10 JIGE Brc1cc(CN2CCC[C@H](Br)C2)ccc1I 1904338614 MPQNSWJUBZHCBV-JTQLQIEISA-N 458.963 4.413 50 10 JIGE O=C(N[C@@H](CCBr)C(F)(F)F)c1ccc(I)c(Cl)c1 1918550038 GKWDCUAULFPDPH-VIFPVBQESA-N 470.454 4.390 50 10 JIGE O=C(NC[C@H]1CCC2(CCC2)[C@H]1Br)c1sccc1I 1924793475 OSKJUVODAXTPLI-SKDRFNHKSA-N 454.171 4.426 50 10 JIGE Cc1nn(C)c(Br)c1C(=O)N(Cc1ccccc1)C1(CBr)CCC1 2013204236 GWINXEWITRCLRO-UHFFFAOYSA-N 455.194 4.451 50 10 JIGE O=S(=O)(NC1(CCCBr)CC1)c1cc(Br)ccc1Br 2090105929 VQQZSTPDLHHASA-UHFFFAOYSA-N 476.028 4.198 50 10 JIGE CC[C@@H]1CN(C(=O)c2cc(I)ccc2Br)C[C@H]1CCl 2140769897 XYWVBWDQPMOCPL-NXEZZACHSA-N 456.549 4.391 50 10 JIGE CC[C@H]1CN(C(=O)c2ccc(Br)cc2I)C[C@@H]1CCl 2142281771 UTHSGZSICBHMCX-UWVGGRQHSA-N 456.549 4.391 50 10 JIGE CC1(C)[C@@H](Cl)C[C@@H]1CNC(=O)c1ccc(Br)cc1I 2142282311 BUHMPPQHXMLBEO-PELKAZGASA-N 456.549 4.437 50 10 JIGE CC[C@@H]1CN(S(=O)(=O)c2ccc(CCl)c(Br)c2)CCN1Cc1ccccc1 2152173448 OOOOEDMYOKQHJV-GOSISDBHSA-N 471.848 4.473 50 10 JIGE CN([C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1)S(=O)(=O)c1ccc(CBr)cc1 2163050684 LYUCRYYWTOAGMQ-JKSUJKDBSA-N 461.422 4.038 50 10 JIGE C[C@@H]1CN(Cc2ccccc2)CCN(S(=O)(=O)c2cc(CBr)ccc2Cl)C1 2179793591 WNXLXCGITCZHHR-MRXNPFEDSA-N 471.848 4.378 50 10 JIGE CN(Cc1cc(Br)cs1)S(=O)(=O)c1ccc(CCBr)s1 2179815544 MNWVFQNKEPWIIW-UHFFFAOYSA-N 459.250 4.330 50 10 JIGE O=S(=O)(c1cc(CBr)cs1)N1CC[C@]2(CCCN(Cc3ccccc3)C2)C1 2179819146 IWPJYZFLYHRBDD-FQEVSTJZSA-N 469.470 4.320 50 10 JIGE O=C(c1ccc(Br)cc1I)N1[C@H]2CC[C@H]1[C@@H](F)[C@@H](Cl)C2 2207264523 GKAOWMSBONFVRO-JBSCMGISSA-N 472.523 4.376 50 10 JIGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)c1ccccc1CCc1ccccc1 2314792564 WDWNAYWIBHVIPY-UHFFFAOYSA-N 496.563 4.465 50 10 JIGE CC[C@@H](NC(=O)C(C#N)=CN1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccc2c(c1)CCCC2 2325093047 ZPBPOTWRZVYOPY-AREMUKBSSA-N 486.616 4.087 50 10 JIGE N#C/C(C(=O)NCc1ccco1)=C1\S[C@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(F)cc1 1889068 SZFVYPQLKRNLGL-KWLPWJRRSA-N 492.488 4.070 50 10 JIGE O=C(/C=C/c1ccccc1Cl)NC(=S)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 13981400 OQZFKUBCPIIJLR-VMPITWQZSA-N 499.807 4.101 50 10 JIGE CCOc1ccc(C(=O)NNC(=O)COc2ccccc2-c2ccccc2)cc1Br 14770239 LAFDOIJFMRROOT-UHFFFAOYSA-N 469.335 4.355 50 10 JIGE COc1ccccc1NC(=O)/C(C#N)=C/c1c(Oc2ccccc2)nc2c(C)cccn2c1=O 39992811 NQWKTSPCLBXLGI-OBGWFSINSA-N 452.470 4.350 50 10 JIGE O=C(NNc1ncnc(Nc2cccc(Br)c2)c1[N+](=O)[O-])c1ccc(Cl)cc1 40657821 JBAAKXVLWQQENG-UHFFFAOYSA-N 463.679 4.301 50 10 JIGE Cc1c(C(=O)Oc2cccnc2)oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2 40812940 DEXRZJQTQMZWMW-KOEQRZSOSA-N 468.307 4.435 50 10 JIGE Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/NC(=O)c2nc3ccccc3s2)cc1 59147247 VDNUHYFVVJVUTP-OEAKJJBVSA-N 451.529 4.136 50 10 JIGE CCOc1cc(C(=O)Oc2ccc(/C=C(/C#N)C(=O)OC)cc2OC)cc(OCC)c1OCC 98026981 BSHKKFCNTBGFJN-WQRHYEAKSA-N 469.490 4.190 50 10 JIGE CCCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C(C#N)=C/c2ccc(OCC)c(OC)c2)cc1 207132488 WSLQXLONMBOZPF-BILXGNRESA-N 473.529 4.430 50 10 JIGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C(C#N)=C\c2ccccc2OC)c(OC)c1 207134323 YTWVJPFAZADZFM-PLVHLWNTSA-N 459.502 4.040 50 10 JIGE COc1cc(/C=C2\C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 214331325 OYHNXOGTJUKCQP-YKNQWPHKSA-N 472.541 4.354 50 10 JIGE O=C(NC1CCC(Br)CC1)c1cc(Br)ccc1I 232461981 XDGKHBXPRLPWMH-UHFFFAOYSA-N 486.973 4.490 50 10 JIGE Cc1ccccc1NCC(=O)NN=Cc1c(C)c(C(=O)c2cccc([N+](=O)[O-])c2)n2ccccc12 254485758 DGTPKMAYABXQIN-UHFFFAOYSA-N 469.501 4.258 50 10 JIGE O=S(=O)(N[C@@H]1CCC[C@H](CBr)C1)c1cc(Cl)c(Br)s1 302582136 FROODTPURLGDKU-JGVFFNPUSA-N 451.633 4.396 50 10 JIGE Cc1nn(C)c2c1nc(CCl)n2-c1ccc(I)cc1Br 380296412 SVMAHQNDGJVUAQ-UHFFFAOYSA-N 465.520 4.173 50 10 JIGE C[C@@H](CCBr)CCNS(=O)(=O)c1cc(Br)ccc1Br 397852546 ATZKGLQXIWQBDN-VIFPVBQESA-N 478.044 4.301 50 10 JIGE Cn1ncc([C@H](Cl)c2cc(Br)cc3c2OCCC3)c1I 688415742 MFRFOKMTCIDLKD-GFCCVEGCSA-N 467.532 4.440 50 10 JIGE N#CCCn1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCN(CC(F)(F)F)C2)c(-c2ccc(Cl)cc2)n1 726527029 DGJCTFYAWALNOB-HKJBKDEOSA-N 490.917 4.025 50 10 JIGE CCCCCn1nc(C(=O)NNC(=O)[C@H]2C[C@@H]2c2cccc3ccccc23)c2ccccc2c1=O 730767622 DMZKXBJJLNCDFO-RPWUZVMVSA-N 468.557 4.305 50 10 JIGE N#CCCn1cc(/C=C(/C#N)C(=O)NC[C@@H]2COc3ccccc3C2)c(-c2ccc(Cl)cc2)n1 818064407 AGERKBAGNCJXNP-LZAZYHHXSA-N 471.948 4.392 50 10 JIGE C#CC[C@]1(C(=O)NNc2cc(Cl)ccc2Br)CCCN1C(=O)OC(C)(C)C 1303450596 XIBMTDQLEJFNLY-LJQANCHMSA-N 456.768 4.339 50 10 JIGE C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)NNc1cc(C(F)(F)F)ccc1Br 1451572270 VDUXWHJCFWRONY-LLVKDONJSA-N 454.246 4.426 50 10 JIGE CCN(CC)CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(Br)cc2)cc1 1866128597 ATDBWSXJGXHBQB-XDJHFCHBSA-N 470.367 4.493 50 10 JIGE CC[C@H](NC(=O)Cc1nc(-c2cccc(OC)c2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866675781 KBILYYJNJIWIEW-FQEVSTJZSA-N 464.547 4.308 50 10 JIGE N#CSc1ccc(NC(=O)CNC(=O)c2cc(C3CC3)n3nc(-c4ccccc4)cc3n2)cc1 1868160797 NUMDCDRHCWANDU-UHFFFAOYSA-N 468.542 4.215 50 10 JIGE CN(C[C@H]1C[C@H](Br)C1)S(=O)(=O)c1cc(CBr)sc1Br 1887886824 VXHYAYWWMFDUEX-ZKCHVHJHSA-N 496.084 4.200 50 10 JIGE BrC[C@@H]1CC2(CC2)CN1c1ncc(I)cc1Br 2015765191 HCPCVMYKTGQDFW-VIFPVBQESA-N 471.962 4.203 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CCC[C@H](Br)C1 2026220904 ICKPHLBMAHOJCX-VIFPVBQESA-N 472.946 4.053 50 10 JIGE C[C@](CBr)(NC(=O)c1ccc(I)c(Cl)c1)C(F)F 2043177970 ZOMCQMDDYLNJPT-LLVKDONJSA-N 452.464 4.093 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@H](Cl)CC12CCC2 2142281372 PPNAHKFEGZQWMV-SNVBAGLBSA-N 454.533 4.430 50 10 JIGE FC(F)(F)c1cnc(N2CC[C@@H]3[C@H](CBr)[C@@H]3C2)c(I)c1 2149545930 MZJFYQNJFOWHMW-KXUCPTDWSA-N 461.063 4.172 50 10 JIGE CC(C)(C)[C@H]1C[C@H](CBr)CN(S(=O)(=O)[C@H]2C[C@H](OCc3ccccc3)C2)C1 2164997702 DAAOFIRSIBONNT-IYWMVGAKSA-N 458.462 4.443 50 10 JIGE ClCc1nc2cncc(Br)c2n1C[C@H]1CC1(Br)Br 2217997065 MPEHPWXYXTTYJG-ZCFIWIBFSA-N 458.379 4.439 50 10 JIGE F[C@H]1C[C@@H](Br)CN(c2ncc(C(F)(F)F)cc2I)C1 2226304914 FJRNATRJPALDJL-SFYZADRCSA-N 453.015 4.017 50 10 JIGE C[C@@H](CBr)CC1CN(C(=O)c2ccc(Cl)c(I)c2)C1 2268356585 ULDVZDPWKZCZHM-SECBINFHSA-N 456.549 4.438 50 10 JIGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cc(Cl)ccc2O)cc1 2293606243 VUNCUTJYEWFUQZ-UHFFFAOYSA-N 462.937 4.033 50 10 JIGE COc1cc(OC)c([C@@H](Br)c2cn(C)nc2Br)cc1Br 2295421165 LHECCWBPOCWZRZ-GFCCVEGCSA-N 468.971 4.447 50 10 JIGE O=S(=O)(Nc1cc(Cl)c(Br)cc1Cl)N1CCC(Br)CC1 2295468332 QYMMTFMFRJIGGK-UHFFFAOYSA-N 467.010 4.272 50 10 JIGE COc1ccc(CNC(=O)C(C#N)=Cc2c(Oc3ccc(F)cc3)nc3c(C)cccn3c2=O)cc1 2296543607 PZRZNAZLYDENRH-UHFFFAOYSA-N 484.487 4.166 50 10 JIGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)C(=O)N1CCOCC1 2296727602 QKWHXUQVMVJYEE-UHFFFAOYSA-N 463.335 4.068 50 10 JIGE Cn1c(C(=O)NN=Cc2cc(Br)c(O)c(Br)c2)cc2ccccc21 2323732914 HMALRTQKONBDDE-UHFFFAOYSA-N 451.118 4.173 50 10 JIGE COc1cc(C=C(C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)ccc1OCCN1CCOCC1 2331453890 VWSUFDAMNBJGPY-UHFFFAOYSA-N 491.569 4.323 50 10 JIGE CC(C)(C)OC(=O)N1CCN(C[C@@]2(CBr)CC2(F)F)C[C@H]1CC(F)(F)F 2351890350 KAQUMYLAWCACFJ-RISCZKNCSA-N 451.274 4.280 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1[C@H]2CC[C@H]1[C@@H](F)[C@H](Br)C2 2365584114 KTIGAYZOGLYJHG-JAAHAHCPSA-N 472.523 4.423 50 10 JIGE O=C(CCCC(=O)OCCCc1ccccc1)NNC(=O)c1ccc(OCc2ccccc2)cc1 14027974 SGYQRPAITDVGPL-UHFFFAOYSA-N 474.557 4.373 50 10 JIGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(OC)cc4)ccc32)cc1OC 38659676 HFBVZLJHHAIPOW-HHHXNRCGSA-N 486.524 4.469 50 10 JIGE Cc1c(C(=O)Nc2cccnc2)oc2c1/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 40813458 XCGRTGFWTNKJJR-WGOQTCKBSA-N 467.869 4.267 50 10 JIGE CC(C)(C)c1ccc(COc2ccccc2/C=N/NC(=O)CSc2nnc(N)s2)cc1 40947291 ZACIXTZYLCUUNW-WYMPLXKRSA-N 455.609 4.239 50 10 JIGE CCCOc1ccccc1/C=C(\C#N)C(=O)Oc1ccc(/C=C(\C#N)C(=O)NC(C)C)cc1OC 40949067 VAWRJGKMAZEXBN-NTZRDTQNSA-N 473.529 4.428 50 10 JIGE C=CCOc1c(Br)cc(/C=N/NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1OC 58892714 JTYNFGPECAMLJY-RASHHNMQSA-N 491.382 4.385 50 10 JIGE Cc1nn(-c2ccc(F)cc2F)c(C)c1C(=O)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 108213289 QAHAMCVOHSCKJE-UHFFFAOYSA-N 455.343 4.451 50 10 JIGE FC(F)c1cnc(CBr)c(I)c1I 238540901 IAVPKDFMIPMGPJ-UHFFFAOYSA-N 473.824 4.123 50 10 JIGE O=C(NN=Cc1ccc(OC(=O)c2ccccc2)c(OC(=O)c2ccccc2)c1)c1cccnc1 252638432 YCLJMDBYMYIOHT-UHFFFAOYSA-N 465.465 4.284 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 1254896172 QLELYPBZCJSBJN-BJWYYQGGSA-N 461.694 4.128 50 10 JIGE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NNc2cccc(C)n2)c1 1470370148 CHVPZKJBAWGJGZ-UHFFFAOYSA-N 456.955 4.182 50 10 JIGE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NNC(=O)c1ccc(COc2ccc(Cl)c(C)c2)cc1 1686315032 DCDJOLIPADRQLV-KNQAVFIVSA-N 457.958 4.153 50 10 JIGE CCCCCCc1ccc(S(=O)(=O)N2CCN(C(=O)Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 1858629026 OQAXSKOASKOPIK-UHFFFAOYSA-N 475.567 4.223 50 10 JIGE N#CSc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cccc(N3CCCC3=O)c2)cc1 1866613397 YQPQEDGPPGBTRO-DEOSSOPVSA-N 484.581 4.366 50 10 JIGE N#CSc1ccc(NC(=O)[C@@H](CO)NC(=O)C[C@@H](c2ccccc2)c2cccc(F)c2)cc1 1866770665 BIGDSIRXYJBZOS-XZOQPEGZSA-N 463.534 4.037 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N(C)[C@@H](C)CCBr)cc1Br 1917075019 WLGDXZQRMWEPCK-VIFPVBQESA-N 478.044 4.314 50 10 JIGE CC1([C@H](Br)c2sc(Br)cc2Br)CS(=O)(=O)C1 1922907311 SFQIRSPQGQAGPO-MRVPVSSYSA-N 453.015 4.144 50 10 JIGE O=C(N[C@H](CBr)C[C@H]1CCCO1)c1csc(Br)c1Br 1926734872 GNCBXOVNMDQPTJ-JGVFFNPUSA-N 476.028 4.336 50 10 JIGE O=C(N[C@H]1CC[C@@H](CBr)C1)c1ccc(I)c(Br)c1 2029534949 LZYIGKDOVXYTEE-SCZZXKLOSA-N 486.973 4.347 50 10 JIGE O=C(NC12CC(CBr)(C1)C2)c1ccc(I)c(Br)c1 2033792571 OPVANJDJXIPSOL-UHFFFAOYSA-N 484.957 4.101 50 10 JIGE CCC(CBr)(CBr)NC(=O)c1cc(I)ccc1F 2050464084 NQJCROLJHBEMIR-UHFFFAOYSA-N 492.952 4.099 50 10 JIGE O=C(CBr)c1c(I)cc(C(F)(F)F)cc1OC(F)F 2060376664 NYEKHCIUTGYOQW-UHFFFAOYSA-N 458.946 4.489 50 10 JIGE O=S(=O)(N[C@H](CBr)CC1CC1)c1cc(Br)ccc1Br 2090431068 WCJVNRYZDRYSNG-JTQLQIEISA-N 476.028 4.054 50 10 JIGE O=C(NC[C@]1(F)C[C@H](CBr)C1)c1cc(Br)cc(Br)c1 2112239500 LLKVFBLMZXEOGJ-XCSCGOTBSA-N 457.963 4.455 50 10 JIGE O=S(=O)(c1cc(CBr)ccc1Cl)N1CC[C@@H](COCc2ccccc2)C1 2123211344 VLEOAIGTKUWAFU-QGZVFWFLSA-N 458.805 4.462 50 10 JIGE C[C@H](Cl)c1nc2cc(I)ccc2n1-c1c(Br)cnn1C 2155770925 LCSVBAQJHNVOHM-ZETCQYMHSA-N 465.520 4.426 50 10 JIGE CC(C)(C)C[C@@H](CBr)CNC(=O)c1cc(I)ccc1O 2156326332 MIOSJPWDPGBAIA-JTQLQIEISA-N 454.146 4.174 50 10 JIGE C[C@@H]1C[C@H](Br)CCN(S(=O)(=O)c2cc(Br)ccc2Br)C1 2159537261 PATNPAUWJHKLIL-MWLCHTKSSA-N 490.055 4.396 50 10 JIGE C[C@H]1CN(Cc2ccccc2)CCN(S(=O)(=O)c2ccc(CBr)c(Cl)c2)C1 2179790458 DYLSOASUYUVFTP-INIZCTEOSA-N 471.848 4.378 50 10 JIGE CC1(C[S@](C)(=O)=NC(=O)c2ccc(CBr)cc2)CN(C(=O)OC(C)(C)C)C1 2192782507 XDBWCGHSAUPXEY-MHZLTWQESA-N 459.406 4.077 50 10 JIGE ClCc1nc(I)c(CCc2ccccc2)c(I)n1 2258671897 BJOAYWRIFXPUMX-UHFFFAOYSA-N 484.506 4.210 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1[C@H]2CC[C@H](Br)[C@H]1CC2 2268357341 WERNCLZHAQUZDW-OUJBWJOFSA-N 454.533 4.475 50 10 JIGE O=S(=O)(CC1(CBr)CC1)c1cc(I)ccc1Br 2300847731 WNYJLRDUJHIHFW-UHFFFAOYSA-N 493.986 4.003 50 10 JIGE CCCN(CCC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NC)c1 2314475773 BZGGEBDZDVDLIZ-UHFFFAOYSA-N 491.617 4.003 50 10 JIGE COc1ccccc1NC(=O)C(C#N)=Cc1c(Oc2ccccc2F)nc2ccccn2c1=O 2314532848 NGZSYCBTLMRHKP-UHFFFAOYSA-N 456.433 4.180 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CCCC[C@H]1OCc1ccccc1 2325069249 BTNGYSFCWDQNPL-AUSIDOKSSA-N 484.684 4.465 50 10 JIGE C[C@H](Br)[C@H]1CN(Cc2ccc(I)c(Br)c2)CCO1 2325231664 WIBKSVLYUUKHGZ-TVQRCGJNSA-N 488.989 4.038 50 10 JIGE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)NCc2ccccc2)c1 2403279 LEVYLTWTZUMIPJ-QNGOZBTKSA-N 450.498 4.327 50 10 JIGE COc1ccc2nc(N(/N=C/c3ccc([N+](=O)[O-])o3)C(=O)c3ccc([N+](=O)[O-])s3)sc2c1 9629579 OJVFUTDCLYJMLA-DJKKODMXSA-N 473.448 4.457 50 10 JIGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2cc(C)ccc2C(C)C)cc1 14030176 OEWVPBBRDBGUBB-UHFFFAOYSA-N 457.596 4.012 50 10 JIGE CCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(C(C)(C)C)cc2)cc1Br 14771023 MHZAAMFILDIEQG-UHFFFAOYSA-N 478.412 4.095 50 10 JIGE C#CCOc1c(Br)cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc1CC=C 58892001 FEISUJDTHYMCBC-QAEYNFOBSA-N 455.352 4.154 50 10 JIGE CC(C)Oc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)nc(O)n2)cc1Br 169923209 FKWWMGDJQFQBRP-FSJBWODESA-N 455.312 4.163 50 10 JIGE CCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c(C)c2)C1=O 214209476 OCBAGIZHNPAAGN-HMAPJEAMSA-N 452.514 4.469 50 10 JIGE Cc1cc(C=NNC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)c(C)n1-c1ccc(Cl)cc1 252614401 JIQPEGDZPNPHLQ-UHFFFAOYSA-N 493.416 4.317 50 10 JIGE CCCOc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(OC)cc2)cc1 254532038 STRSXIBOGJDXBX-RRHNVJNFSA-N 457.530 4.405 50 10 JIGE O=C(N[C@H](CCl)CC(F)F)c1cc(Br)ccc1I 717760914 SBAHYZWOTPJILC-ZETCQYMHSA-N 452.464 4.046 50 10 JIGE C=CCn1c(SCC(=O)NNC(=O)CCC2CCCCC2)nnc1-c1ccc(Cl)cc1 727346291 HDWLBURUBJJGCB-UHFFFAOYSA-N 462.019 4.385 50 10 JIGE Cc1ccc2nc(C)c(C(=O)NN=Cc3ccc(OCC(=O)Nc4cccc(Cl)c4)cc3)n2c1 1084418251 PBCFHEGLPJXKRP-UHFFFAOYSA-N 475.936 4.386 50 10 JIGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccc(N(C)C)cc2)cc1 1865683510 LLLDAIXIDLJYSB-GOSISDBHSA-N 455.440 4.184 50 10 JIGE CCCOc1ccc([C@H](CC(=O)O)NC(=O)/C(C#N)=C/c2cccc(Br)c2)cc1OC 1866131095 XWUBWFAYZFPCLX-DMVFFGLYSA-N 487.350 4.486 50 10 JIGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(C)[C@@H](c3ccccc3)C2)n1 1868253415 GVMYGDLTKOAVEA-JOCHJYFZSA-N 460.607 4.475 50 10 JIGE COc1ccc(Br)cc1/C=N/NC(=O)COc1ccc(C(=O)NC2CCCCC2)cc1 1873496916 CUXUUSDLBFFCDI-AFUMVMLFSA-N 488.382 4.049 50 10 JIGE Brc1cc(I)cnc1N1C[C@@H]2CC[C@H](C1)C2Br 2015758835 MTOSEROYOJETNR-OQJHAAMPSA-N 471.962 4.058 50 10 JIGE CC[C@@H](Br)CCNC(=O)c1ccc(Br)cc1I 2026218093 PHJWOZGMDRHPCC-MRVPVSSYSA-N 474.962 4.347 50 10 JIGE Cc1nn2c(=O)c3ccccc3[nH]c2c1C=C(C#N)S(=O)(=O)c1cc(Cl)ccc1Cl 2040892063 KCMDVPSEVXVEMD-UHFFFAOYSA-N 459.314 4.129 50 10 JIGE CCOc1c(I)ccc(C(=O)CBr)c1OC(F)(F)F 2055047458 BGBAGAQJEYBAKM-UHFFFAOYSA-N 452.992 4.166 50 10 JIGE C[C@H](Br)[C@H]1CCCN1C(=O)c1cc(I)ccc1Br 2073320822 SFTOQWUZKIDREQ-QPUJVOFHSA-N 486.973 4.442 50 10 JIGE C[C@H]1C[C@H](CBr)CN1C(=O)c1ccc(Br)cc1I 2086147287 LOXVYLCGKNYVBD-DTWKUNHWSA-N 486.973 4.299 50 10 JIGE CCN(CC)S(=O)(=O)C[C@H](Br)c1cc(Br)ccc1Br 2089400972 WFSALTUYCAGEKO-LBPRGKRZSA-N 478.044 4.319 50 10 JIGE O=C(N[C@@H]1C[C@H](CCl)[C@H]2C[C@H]21)c1cc(Br)ccc1I 2110550864 VDBRKQMWGDNDLX-QYVSTXNMSA-N 454.533 4.047 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CCSC[C@@H]1CCCl 2142292287 SJNMCODRGVCKGA-JTQLQIEISA-N 474.589 4.240 50 10 JIGE O=S(=O)(N[C@H]1CCC[C@@H]1CCBr)c1cc(Br)ccc1Br 2146773617 OPCBWNGMILXIRY-SKDRFNHKSA-N 490.055 4.444 50 10 JIGE C[C@H]1C[C@@H](Br)[C@H](C)CN1S(=O)(=O)c1cc(Br)ccc1Br 2149518065 FMIBTAGPSZQCTP-VDDIYKPWSA-N 490.055 4.394 50 10 JIGE CC(C)(C)OC(=O)N1CCC([S@](C)(=O)=NC(=O)c2ccc(CBr)cc2)CC1 2162877739 KCJAOFZCUMWTJM-MHZLTWQESA-N 459.406 4.219 50 10 JIGE C[C@H](c1nscc1Br)N(C)S(=O)(=O)c1cc(CBr)cs1 2186578036 DAYRHYDSQPYWHL-SSDOTTSWSA-N 460.238 4.244 50 10 JIGE CN(C[C@H]1C[C@@H](Br)C1)S(=O)(=O)c1ccc(Br)c(CBr)c1 2196930721 XENQAZUNEFFJSM-JGZJWPJOSA-N 490.055 4.138 50 10 JIGE N#CC(=Cc1cc(Br)c(I)o1)C(=O)Nc1ccc(F)cc1 2294146912 AYHJFGGLANMCEY-UHFFFAOYSA-N 461.028 4.331 50 10 JIGE CCOc1ccccc1NC(=O)C(C#N)=Cc1ccc(OC)c(COc2ccccc2C(N)=O)c1 2295672410 VOAVPLIXGNVHAX-UHFFFAOYSA-N 471.513 4.317 50 10 JIGE CCOC(=O)c1ccc(-c2ccc(C=C(C#N)C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)o2)cc1 2314433874 VYGIYVAITBJNCP-UHFFFAOYSA-N 496.523 4.467 50 10 JIGE C[C@H]1CN(C(=O)c2ccc(Cl)cc2I)C[C@@]1(C)CBr 2340062393 ZBLXAQHWJSEBIJ-LKFCYVNXSA-N 456.549 4.438 50 10 JIGE O=C(COc1ccc(Cl)cc1Cl)NNC(=O)c1cccc(OCCc2ccccc2)c1 10331046 LWJHFOMKKSTAGM-UHFFFAOYSA-N 459.329 4.455 50 10 JIGE CC(C)COc1ccc(C(=O)NNC(=S)NC(=O)C(c2ccccc2)c2ccccc2)cc1 14025041 KZVRMMPMRQNWHD-UHFFFAOYSA-N 461.587 4.189 50 10 JIGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2[C@@H](C)CC)cc1 14030114 OEEPJFJLZKFWFI-KRWDZBQOSA-N 457.596 4.094 50 10 JIGE CC/C(Cc1ccccc1)=N/NC(=O)CCC(=O)Nc1ccc(I)cc1C 27498066 LBAJNZVRLJXWIU-MOHJPFBDSA-N 477.346 4.443 50 10 JIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4C)ccc32)cc(OC)c1OC 38660436 JTXRQDUDQCGOQG-DEOSSOPVSA-N 472.497 4.458 50 10 JIGE O=C(CCCc1c(-c2ccccn2)[nH]c2ccc(F)cc12)NNC(=O)c1ccccc1[N+](=O)[O-] 39852947 OETFWBWVFKQTBI-UHFFFAOYSA-N 461.453 4.061 50 10 JIGE Cc1ccc(C(=O)NNC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc(Cl)c2)CCC3)cc1 101601494 SRTOWUMTIHHDNP-ZXVVBBHZSA-N 478.936 4.095 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)NCC(C)(C)CBr)cc1Br 135201076 XMTGCPMKJXHWLN-UHFFFAOYSA-N 478.044 4.219 50 10 JIGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)/C(C#N)=C\c2ccc(OCC)cc2)c(OCC)c1 206289316 GWZSZWYDCHIPSN-GYICUJRQSA-N 460.486 4.467 50 10 JIGE COCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cc(C)ccc2C)C1=O 214283934 HYASGKCVQSMTOK-IWIPYMOSSA-N 466.541 4.395 50 10 JIGE COc1cc(C[C@H](Br)c2ccc(I)c(Cl)c2)ncn1 232386662 ZTOZILIIJINRAN-JTQLQIEISA-N 453.505 4.422 50 10 JIGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=C(C)/C=C/c2ccco2)cc1OC 254400539 JSXJJVAWIPWUHM-ISTLCHSGSA-N 459.502 4.273 50 10 JIGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccccc3C)cc2)cc1 254647275 XNYVWLHUSFEESU-UHFFFAOYSA-N 473.529 4.482 50 10 JIGE Nc1nnc(SCC(=O)NN=Cc2cccc(OCc3ccc(Cl)cc3Cl)c2)s1 256028547 UCYXNGBGNAUYLU-UHFFFAOYSA-N 468.391 4.249 50 10 JIGE COc1ccc(O)c([C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)c1 382679553 AXHDHLHLMJRRGT-YJBOKZPZSA-N 467.303 4.188 50 10 JIGE C[C@H](Br)C[C@H]1CCCCCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703967438 AAQHIUWEUSOZGY-DLBZAZTESA-N 499.471 4.057 50 10 JIGE Cc1cc(C=NNC(=O)CC(=O)NCCc2ccccc2)c(C)n1-c1ccccc1C(F)(F)F 725410687 FGOKNXARZNNEDE-UHFFFAOYSA-N 470.495 4.312 50 10 JIGE Cc1ccc(-n2nc(C)c(CC(=O)NNC(=S)Nc3ccc(N(C)C)cc3)c2C)cc1Cl 729689310 SDFXUCVIWWPHHX-UHFFFAOYSA-N 471.030 4.077 50 10 JIGE O=C(NNC(=O)c1cc(Cl)sc1Cl)c1nc(-c2ccccc2)n(-c2ccccc2)n1 751265209 ZDEWSJRCGSHPCO-UHFFFAOYSA-N 458.330 4.377 50 10 JIGE N#CCCn1cc(/C=C(\C#N)C(=O)OCC(=O)NCC2CCCCC2)c(-c2ccc(Cl)cc2)n1 782092620 ICXNMFMFRRSNFZ-DEDYPNTBSA-N 479.968 4.264 50 10 JIGE CC(=NNC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)c1ccc(C)cc1 1083954528 FFNNGOXMPWHKHV-UHFFFAOYSA-N 455.967 4.384 50 10 JIGE COc1ccc(Cl)cc1NC(=O)C(=O)NN=Cc1ccc(OCc2ccccc2)c(OC)c1 1083981419 AMXZZLAODZQUAD-UHFFFAOYSA-N 467.909 4.025 50 10 JIGE Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1C=NNC(=O)COc1ccc(Cl)cc1Cl 1084217383 NLKJRJVIJJNNOJ-UHFFFAOYSA-N 462.293 4.233 50 10 JIGE COc1ccc(Br)cc1C=NNC(=O)CCC(=O)Nc1ccc(Cl)cc1C 1084342547 VPPZACZNOOAIEJ-UHFFFAOYSA-N 452.736 4.289 50 10 JIGE C=CCn1c(SCC(=O)NNc2cccc(F)n2)nnc1-c1ccc(Cl)cc1Cl 1626997900 CKUHQOHKQILOGP-UHFFFAOYSA-N 453.330 4.207 50 10 JIGE COc1ccc(/C=C(/C(=O)N2CCC[C@@H](C(=O)NNc3ccccn3)C2)c2ccccc2)cc1 1873777900 WHEVBEPBHGYQPV-DNQXDJSBSA-N 456.546 4.013 50 10 JIGE O=S(=O)(N[C@H](CCCl)C(F)(F)F)c1cc(Br)ccc1Br 1918531868 AVJAVJOJXKCEOS-SECBINFHSA-N 459.509 4.050 50 10 JIGE CCN(C[C@](C)(CI)OC[C@H]1CCCCCO1)C(=O)OC(C)(C)C 1947245281 JFZLYZPBQUWZGX-QAPCUYQASA-N 455.377 4.413 50 10 JIGE CN(Cc1ccccc1)[C@H]1CCN(S(=O)(=O)c2cc(CCl)sc2Br)C1 2034679130 PEWBFNNQLWDVKN-AWEZNQCLSA-N 463.850 4.144 50 10 JIGE CC(C)(C)OC(=O)N[C@H](C[S@@](C)(=O)=NC[C@@H](Br)C(F)(F)F)C(C)(C)C 2044705948 PJYPCSKHCPUIAR-GILQPQBKSA-N 453.365 4.349 50 10 JIGE O=C(CCl)c1ccc(I)c(I)c1C(F)(F)F 2060053095 RRBIQNQRFYVJSW-UHFFFAOYSA-N 474.385 4.336 50 10 JIGE O=C(NCCC(F)(F)CCl)c1cc(Br)ccc1I 2064906337 LZTZEKMWAGNJFW-UHFFFAOYSA-N 452.464 4.048 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC[C@H]2C[C@]23CCCOC3)C1 2077655444 XAXUXGIQGWVHRO-AYOQOUSVSA-N 465.372 4.024 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@H](CBr)C2(CC2)C1 2087794313 FFBJYTIGLWYZKQ-JTQLQIEISA-N 498.984 4.301 50 10 JIGE C[C@]1(CBr)CCN1S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2097247613 OOKAJMJJCMNZRG-LLVKDONJSA-N 451.995 4.304 50 10 JIGE CC[C@H](Br)CN(CC)S(=O)(=O)c1cc(Br)ccc1Br 2106616805 YSKSQJTYVOTPEZ-VIFPVBQESA-N 478.044 4.396 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1CC[C@H](Br)CC12CC2 2113560509 CHLADZMTIHYEBU-JTQLQIEISA-N 454.533 4.477 50 10 JIGE COc1c(CBr)cc(Cl)cc1S(=O)(=O)N(C)CCOCc1ccccc1 2123245528 IYWKBRAKGYSFQQ-UHFFFAOYSA-N 462.793 4.081 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC[C@@H]2C[C@@H]2C2CCOCC2)C1 2135993998 PUJWCHWVNLAUMJ-SQGPQFPESA-N 479.399 4.270 50 10 JIGE Cc1cc(C(=O)N2C[C@H](CBr)CC(C)(C)C2)ccc1I 2207105029 SPOIIAKMDRMQPZ-LBPRGKRZSA-N 450.158 4.483 50 10 JIGE Clc1cc(CN2CCC3(CC2)C[C@@H](Br)CO3)ccc1I 2208027534 AKRVNUILROBPIX-GFCCVEGCSA-N 470.576 4.463 50 10 JIGE C[C@@H](CCCCCI)NS(=O)(=O)Cc1ccsc1Br 2226096872 KTYDCZUFLUYUIV-JTQLQIEISA-N 480.231 4.314 50 10 JIGE C[C@@](CBr)(NC(=O)Cc1cc(Br)cc(Br)c1)C(F)F 2277923358 FJWSXSRPKLKODP-LBPRGKRZSA-N 463.942 4.289 50 10 JIGE CNC(=O)C(C#N)=C1S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccc(Br)cc1 2293038596 NMSKSJNLFCBHPZ-QGZVFWFLSA-N 476.783 4.275 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@@H]2CC[C@]2(CBr)C1 2295313794 OWVDYLWWKKCBEG-NHYWBVRUSA-N 466.011 4.388 50 10 JIGE Brc1cc(Br)cc(C[C@@H](Br)[C@H]2CCn3ncnc3C2)c1 2295345864 RQIKIADCRMQGFA-GXFFZTMASA-N 463.999 4.372 50 10 JIGE COc1cc(C=C(C#N)C(N)=O)cc(I)c1OCc1cccc2ccccc12 2296683321 FXVNQPWACLTHTB-UHFFFAOYSA-N 484.293 4.424 50 10 JIGE CC(C)(C)OC(=O)N1CCC(CI)(OC[C@@H]2C[C@H]3[C@@H](C2)C3(F)F)CC1 2320760086 WSJYJZOMYDBZBV-BTTYYORXSA-N 471.326 4.499 50 10 JIGE CCN1C(=O)COc2ccc(C(C)=NNC(=O)c3ccc(-c4ccc(F)cc4F)nc3C)cc21 2321276011 BMFOTVKRKGLKHX-UHFFFAOYSA-N 464.472 4.235 50 10 JIGE O=C(COc1ccc(C(=O)NCc2ccccc2)cc1)NN=Cc1ccc(-c2ccc(C(=O)O)cc2)o1 2321698167 WLRXQDSNKYVRPD-UHFFFAOYSA-N 497.507 4.104 50 10 JIGE C[C@H]1CN(Cc2ccc(I)c(Br)c2)C[C@@H](CBr)O1 2325213595 VDZCAFHNVYVZAP-GXSJLCMTSA-N 488.989 4.038 50 10 JIGE Cc1ccc(CCl)c(OCc2nn(C)cc2I)c1Br 2352578616 NAXKDXPVGZOWCZ-UHFFFAOYSA-N 455.521 4.413 50 10 JIGE CN(Cc1c(Br)c(Br)nn1C)c1cc(CCl)c(Br)cn1 2364340520 JLCNVROLOIFFCC-UHFFFAOYSA-N 487.421 4.478 50 10 JIGE Clc1ccc(I)cc1CN1C[C@@H]2CC[C@@H](CBr)O[C@@H]2C1 2380515442 PUIAGNWUHKQPJA-VZJVUDMVSA-N 470.576 4.319 50 10 JIGE O=C(/C=C/c1cccc2ccccc12)NC(=S)NNC(=O)COc1ccc2ccccc2c1 12503479 ZTLYKPOWXQBBBE-FYWRMAATSA-N 455.539 4.107 50 10 JIGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)/C=C/c1ccccc1Cl 13981383 JRISZBHYTBUMEB-LAHYYIKRSA-N 472.781 4.149 50 10 JIGE Cc1ccc(OCC(=O)NNC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)c(Br)c1 14038688 RDGIWGLNNABBDD-KRWDZBQOSA-N 483.362 4.418 50 10 JIGE Cc1ccc(C(=O)NNC(=O)c2ccccc2OCCOc2ccccc2)cc1Br 14040590 CYKIUTBIFCRMCN-UHFFFAOYSA-N 469.335 4.290 50 10 JIGE CC(C)Oc1ccc(Br)cc1C(=O)NNC(=O)CCC(=O)Nc1ccccc1Cl 14668017 WMCLPYZINMAEAH-UHFFFAOYSA-N 482.762 4.070 50 10 JIGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc(I)c1OC 33797589 ADBLDOQLPMLCCV-QPEQYQDCSA-N 493.257 4.071 50 10 JIGE O=C(NNC(=O)c1ccnc(C23CC4CC(CC(C4)C2)C3)c1)c1ccc(Br)cc1 35553523 YHVPNFLYSICUMZ-UHFFFAOYSA-N 454.368 4.387 50 10 JIGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)c(OC)c1 38656929 AYSNWIOEIUBFTE-HSZRJFAPSA-N 473.441 4.049 50 10 JIGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccccc3C#N)cc2)cc1 58892793 PODVMMJOCBRELA-DGXULUGGSA-N 457.530 4.500 50 10 JIGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(C)n(-c3ccc(NC(C)=O)cc3)c2C)cc1 58893421 SVESONXTEJNUES-VUMGZPTDSA-N 476.577 4.415 50 10 JIGE CNC(=O)/C(C#N)=C1/S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1cccc(OC)c1 102667289 MIXPHWXRBQZUQR-CQHJRZBDSA-N 462.358 4.174 50 10 JIGE CCOc1ccc2ccccc2c1/C=N\NC(=O)c1cccn(Cc2ccc(OC)cc2)c1=O 169920973 GEGMKRQALNMMJP-QRQIAZFYSA-N 455.514 4.221 50 10 JIGE CCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)COc2ccccc2C(C)(C)C)c(OC)c1 206406350 JEHAEXRZQUJTFE-RGEXLXHISA-N 450.535 4.410 50 10 JIGE O=C(NC[C@@H]1CC[C@@H](Br)C1)c1cc(I)ccc1Br 227683878 GOHHLWBXDQEKNU-RKDXNWHRSA-N 486.973 4.347 50 10 JIGE Cc1ccc(OCCn2cc(C=NNC(=O)CSc3nnc(C)s3)c3ccccc32)cc1 254607485 VELRUHNPRHJLBU-UHFFFAOYSA-N 465.604 4.431 50 10 JIGE CC[C@@H](c1nc(CCl)cs1)n1cnc(I)c1I 304469510 ZDHLTFJRJXXHPI-ZETCQYMHSA-N 493.539 4.287 50 10 JIGE FC(F)(F)Oc1ncc(Br)c(I)c1CBr 396177911 HBUHVLGNALOVIT-UHFFFAOYSA-N 460.813 4.242 50 10 JIGE O=C(NN=C1C(=O)N(Cc2cccc3ccccc23)c2ccccc21)c1ccccc1[N+](=O)[O-] 1083985355 YCQCXXSMITWLQO-UHFFFAOYSA-N 450.454 4.429 50 10 JIGE CCN(CC)c1ccc(C=NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)c(O)c1 1084184236 WIUGLBXWXZGPRC-UHFFFAOYSA-N 451.354 4.414 50 10 JIGE COc1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)c(OC)c1 1614806385 JQSLOEPEWBHHAR-QFBILLFUSA-N 481.330 4.491 50 10 JIGE COc1cccc(-c2csc(/C(C#N)=C(\O)CNC(=O)c3cc(OC)c(OC)c(OC)c3)n2)c1 1872744055 FSZRQQLVABDHIT-ZPHPHTNESA-N 481.530 4.067 50 10 JIGE C[C@@H](Cl)[C@H](NC(=O)c1ccc(I)c(Br)c1)C(F)(F)F 1882638523 GTERRRIRSHUNEB-ANLVUFKYSA-N 470.454 4.342 50 10 JIGE O=C1c2ccccc2C(=O)N1CCCc1nccn1-c1c(F)cc(CBr)cc1F 1912990240 XJWNJWSMMPUGKV-UHFFFAOYSA-N 460.278 4.274 50 10 JIGE CC(C)[C@@H](CI)NCc1ccc(I)c(Cl)c1 1995482260 RRKSSHNTKAECNK-GFCCVEGCSA-N 463.528 4.494 50 10 JIGE CC1([C@@H](CBr)NC(=O)c2cc(I)ccc2Br)CC1 2033130443 QTUXIQWEOQUQMT-LLVKDONJSA-N 486.973 4.347 50 10 JIGE CN(CC1CC(Br)C1)[C@@H](CN)c1scc(Br)c1Br 2076250862 QTVWSPHHWYJVSQ-KTOWXAHTSA-N 461.061 4.378 50 10 JIGE O=C(NC[C@]1(F)CC[C@@H](CBr)CC1)c1csc(I)c1 2122081805 VUYXXYNFXDQKIC-SWZMTVOYSA-N 460.150 4.376 50 10 JIGE CCN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1cc(CCl)oc1Br 2143614574 LXDJCAHTEKJABF-UHFFFAOYSA-N 475.836 4.456 50 10 JIGE O=C(NC[C@]1(CBr)CC12CCC2)c1ccc(F)cc1I 2154199131 FFNSUZLKNYHIGY-OAHLLOKOSA-N 452.105 4.115 50 10 JIGE O=S(=O)(c1cc(CCl)sc1Br)N1CC[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 2168747797 OKORBIGZFGZLBN-CVEARBPZSA-N 489.888 4.392 50 10 JIGE Clc1ccc(I)c(CN2C[C@@H](Br)C3(CCOCC3)C2)c1 2174379138 LHGFPNKGLLAKLV-CQSZACIVSA-N 470.576 4.321 50 10 JIGE CC(C)(C)OC(=O)N1CCCN([S@](C)(=O)=NCc2ccc(CBr)cc2)CC1 2182845634 SMBFDBMQANTAJF-HHHXNRCGSA-N 460.438 4.037 50 10 JIGE CN(C[C@@H]1C[C@H]1Br)C(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2229108187 TWBAACJGJDHULN-IMJJTQAJSA-N 490.236 4.127 50 10 JIGE O=S(=O)(N[C@@H](CCCl)COCc1ccccc1)c1ccc(F)cc1Br 2320660482 SJGJSAJHIKJARP-HNNXBMFYSA-N 450.757 4.081 50 10 JIGE Cn1nc(Br)c(Br)c1C(=O)Nc1cccc(CBr)c1 2338691175 PHXSZAGMFLDRTM-UHFFFAOYSA-N 451.944 4.092 50 10 JIGE Cc1cc(C(=O)NCC(F)(F)C(F)(F)CI)ccc1Br 2361687064 NESNPJQFKGISQC-UHFFFAOYSA-N 468.026 4.193 50 10 JIGE C[C@@H](Br)CC1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)C1CC(OCc2ccccc2)C1 2367010203 WFIMBDYBAMTGFH-BIXOXULISA-N 456.446 4.481 50 10 JIGE CC[C@@H](C)Oc1ccc(C(=O)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)cc1 10291853 FIWQDNMMCRVBIJ-CYBMUJFWSA-N 452.338 4.351 50 10 JIGE Cc1cc(Cl)ccc1OCC(=O)NNC(=O)COc1ccc(C(C)C)cc1Br 12580462 LRDVWVXXVGVQLY-UHFFFAOYSA-N 469.763 4.140 50 10 JIGE Cc1ccc(NC(=O)CCC(=O)NNC(=O)[C@@H](C)Oc2c(C)cc(Br)cc2C)c(C)c1 14643095 MLLPUKNGMZGYIR-QGZVFWFLSA-N 490.398 4.016 50 10 JIGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)cc4)ccc32)c(OC)c1 38656825 AERAAJQBEZPKSZ-AREMUKBSSA-N 472.497 4.215 50 10 JIGE N#CC1=C(N)Oc2cc(OC(=O)[C@H]3COc4ccccc4O3)ccc2[C@@H]1c1c(F)cccc1Cl 38700590 VUDYNPULOMXCIY-YADHBBJMSA-N 478.863 4.443 50 10 JIGE COc1cc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(N)=O)cc2OC)ccc1OCc1ccccc1 40890508 KSLKFWPFFDNNCM-IRMYMQKMSA-N 484.508 4.294 50 10 JIGE COC(=O)c1ccc(-n2c(C)cc(/C=N\NC(=O)CC[C@@H](O)c3ccccc3)c2C)cc1Cl 58890608 ZXOVHZKXXHGMDA-RWCDGHBOSA-N 467.953 4.498 50 10 JIGE COc1ccccc1NC(=O)/C(C#N)=C\N1CCN(C(c2ccccc2)c2ccccc2)CC1 216988906 JQMZZUAUDORIDG-FLFQWRMESA-N 452.558 4.448 50 10 JIGE O=C(N[C@H]1CCC[C@H]1Br)c1cc(Br)ccc1I 232452263 REPYABQTGBTCFM-KOLCDFICSA-N 472.946 4.100 50 10 JIGE COc1ccccc1OCC(=O)NN=Cc1c(C)c(C(=O)c2ccc(F)cc2)n2ccccc12 254745431 STWNOIQLTDYDHX-UHFFFAOYSA-N 459.477 4.156 50 10 JIGE C[C@H]1[C@@H](C)N(S(=O)(=O)c2cc(CCl)oc2Br)C[C@@H](C)N1Cc1ccccc1 404272743 JOKGSJBJWLRDKO-QLFBSQMISA-N 475.836 4.453 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CCS[C@@H](CCCl)C1 721595089 SPMMEYYBGWGLPY-JTQLQIEISA-N 474.589 4.240 50 10 JIGE C[C@@H]1CN(C(=O)c2ccc(I)c(Br)c2)C[C@@H](C)C1Cl 721618405 CFRJVGPEHNGVDM-RKDXNWHRSA-N 456.549 4.389 50 10 JIGE NC1CCN(C(=O)[C@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)CC1 725238729 WXEGBBAWAZSRBO-SFHVURJKSA-N 459.921 4.030 50 10 JIGE C=CCc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(OC)c1OCC(=O)OCC 1084116883 VIIOVSCODLCSAN-HYARGMPZSA-N 487.556 4.113 50 10 JIGE C=CCn1c(SCC(=O)NNc2ccnc(F)c2)nnc1-c1ccc(Cl)cc1Cl 1447556847 UIUWBIKPMQWBTG-UHFFFAOYSA-N 453.330 4.207 50 10 JIGE CC(C)(C)OC(=O)N1CCC(CI)(OCCOC2CCCC2)CC1 1940273425 ZNBLJDJXDXUSEK-UHFFFAOYSA-N 453.361 4.167 50 10 JIGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccccc1 2040991893 GQIOBOUTJPPQCQ-HSZRJFAPSA-N 464.525 4.311 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CC[C@@H](CCBr)C1 2086149582 PLQGSIJWDAXLRV-SECBINFHSA-N 486.973 4.301 50 10 JIGE C[C@H]1CCC[C@](CBr)(NC(=O)Cc2ccccc2I)C1 2143868854 SOQJJQLCXPLDNM-LRDDRELGSA-N 450.158 4.294 50 10 JIGE C[C@@H]1CN(S(=O)(=O)c2ccc(CCl)cc2Br)[C@H](C)CN1Cc1ccccc1 2152185170 TZMWXPVJVCJDAH-HZPDHXFCSA-N 471.848 4.471 50 10 JIGE O=C(c1cc(Br)c(Br)s1)N1CCO[C@@H]2C[C@H](CBr)C[C@H]21 2199763932 ZETXBCYHRSQONE-SZEHBUNVSA-N 488.039 4.288 50 10 JIGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2Cl)C(=O)NN=Cc2cccs2)cc1 2297708336 XGYPSGWZLBRANP-UHFFFAOYSA-N 452.967 4.389 50 10 JIGE O=C(N[C@H]1C[C@@H](CBr)[C@H]2C[C@@H]12)c1cc(I)ccc1Br 2329869875 JXTMBRHTQWVJSN-YTDXRRJTSA-N 498.984 4.203 50 10 JIGE COC[C@@]1(CBr)C=CCN1C(=O)c1csc(Br)c1Br 2351724658 UDOVFTVUWIDALE-LBPRGKRZSA-N 474.012 4.065 50 10 JIGE O=S(=O)(C1CC(OCc2ccccc2)C1)N1CC[C@H](C2CCC(Br)CC2)C1 2381261679 HDTWEQXYMNKAGE-ANSLWWGBSA-N 456.446 4.340 50 10 JIGE CC[C@@H](C)Oc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2Cl)cc1 10292227 HBFADAMJHBNTGG-GFCCVEGCSA-N 455.736 4.120 50 10 JIGE CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)o2)cc1 34700984 BGARORJZEFGCFJ-FXBPSFAMSA-N 491.569 4.076 50 10 JIGE Cc1cc(C)cc(Oc2ncnc(NNC(=O)c3ccc(Br)cc3)c2[N+](=O)[O-])c1 40582758 CHTFLAYQIBZDSY-UHFFFAOYSA-N 458.272 4.313 50 10 JIGE Nc1c(NNC(=O)c2ccc(Br)cc2)ncnc1Sc1ccc(Cl)cc1 40723063 KUOMXEYTDJPPOP-UHFFFAOYSA-N 450.749 4.383 50 10 JIGE O=S1(=O)CC[C@H](C(CBr)(CBr)Cc2cccc(F)c2Cl)C1 123425786 LOBVQDZMRAKXQL-NSHDSACASA-N 462.606 4.233 50 10 JIGE O=C1COc2ccc([C@@H](Br)c3csc(I)c3)cc2N1 124422457 DXJWVQTXAYDWQX-CYBMUJFWSA-N 450.095 4.168 50 10 JIGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C\Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 209901562 DUXNOYXWFPXWAO-AQTBWJFISA-N 470.407 4.361 50 10 JIGE O=S(=O)(NC1CCC(CBr)CC1)c1cc(Cl)c(Br)s1 382298407 OGZAGQGTPZGNJZ-UHFFFAOYSA-N 451.633 4.396 50 10 JIGE O=C(N[C@H](CCl)CC(F)(F)F)c1cc(I)ccc1Br 717745128 JOFZURZPOISHKB-ZETCQYMHSA-N 470.454 4.343 50 10 JIGE COc1ccc([N+](=O)[O-])c([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)c1 725437857 MMMJMAOVZRHPQC-CRAIPNDOSA-N 496.301 4.391 50 10 JIGE N#CCCn1cc(/C=C(/C#N)C(=O)OCC(=O)N[C@@H]2CCCc3ccccc32)c(-c2ccccc2)n1 761386623 PCLIAMOBLCKPIL-GJISQHIDSA-N 479.540 4.108 50 10 JIGE CC(=O)Oc1ccc(Br)cc1C=NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 1083972504 ZRPHTABSSZURGT-UHFFFAOYSA-N 480.318 4.391 50 10 JIGE CC(=O)c1ccc(NC(=O)NNC(=O)c2ccc(COc3ccc(Cl)c(C)c3)cc2)nc1 1203268647 OUJHFWUPGYQRKA-UHFFFAOYSA-N 452.898 4.292 50 10 JIGE CCN(CC)Cc1ccc(/C=N\NC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)cc1 1860773276 UVAUUTCIHFWUPR-MBTHVWNTSA-N 473.602 4.117 50 10 JIGE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@H]2c1cc(Br)c(O)c(OC)c1 1865689590 TYEZXTUKLNDBET-GFCCVEGCSA-N 473.249 4.007 50 10 JIGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)ccc1O 1865705726 DDZJOTBSQNURHV-KRWDZBQOSA-N 460.387 4.022 50 10 JIGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CC(=O)N3CCc4ccccc4[C@H]3C2)n1 1868278061 QZBXDYIEILIFKH-OAQYLSRUSA-N 456.575 4.302 50 10 JIGE C[C@@H]1C[C@@H](CBr)CCN1c1ncc(I)cc1Br 2015758553 JOTHXBIZXVXJAQ-BDAKNGLRSA-N 473.978 4.449 50 10 JIGE O=C(COC(=O)C(=Cc1ccc(Cl)cc1)c1ccc(F)cc1)NNC(=O)c1cccs1 2040416705 AGSICLQJPLJKIZ-UHFFFAOYSA-N 458.898 4.086 50 10 JIGE O=S(=O)(N[C@@H]1CCC[C@H]1CCBr)c1cc(Cl)c(Br)s1 2090622260 VQTHCJQMSIRFJU-IONNQARKSA-N 451.633 4.396 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1CC(F)(F)C[C@H]1CBr 2102792091 UJRBSFKTZZNRHI-QMMMGPOBSA-N 464.475 4.189 50 10 JIGE O=C(N[C@H]1C[C@H]2C[C@H]1C[C@H]2Br)c1cc(I)ccc1Br 2104410934 JJBDZZRJQDLXJY-BCWBERDBSA-N 498.984 4.346 50 10 JIGE C[C@@H]1CN(C(=O)c2cccc(F)c2I)CC[C@H]1CCBr 2172462507 FBTDXMSDDICUKA-GHMZBOCLSA-N 454.121 4.314 50 10 JIGE COCC(C)(C)N(Cc1ccccc1)S(=O)(=O)c1ccc(OCCBr)cc1 2179860594 UUGUAYFUKNQXAQ-UHFFFAOYSA-N 456.402 4.076 50 10 JIGE O=C(N[C@@H]1C[C@H]2CC[C@H]1[C@H](Br)C2)c1c(F)cccc1I 2282810109 OUSSHDDOCQKAQJ-QISWUMQESA-N 452.105 4.112 50 10 JIGE CNC(=O)C(C#N)=C1S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(F)cc1 2296834961 GUFHXJKKMLOAOK-QGZVFWFLSA-N 450.322 4.305 50 10 JIGE N#CC(=Cc1c(Oc2ccc(Br)cc2)nc2ccccn2c1=O)C(=O)N1CCCCC1 2297318621 ZJRUBYQLFJMGLV-UHFFFAOYSA-N 479.334 4.169 50 10 JIGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)C=Cc2ccc(OC)c(OC)c2)cc1 2313741138 FCMFGBMLFVTDLB-UHFFFAOYSA-N 485.606 4.012 50 10 JIGE CC(C)(C)OC(=O)N1CCC(CI)(OC[C@H]2CO[C@]3(C)C[C@H]2C3)CC1 2318561071 SGSXFWLTWTYCIR-RKVPGOIHSA-N 465.372 4.023 50 10 JIGE COc1cc(C=NNC(=O)CCCCCNC(=O)OC(C)(C)C)ccc1OC(=O)c1ccccc1 2328835331 RZOJOGBAEIODTF-UHFFFAOYSA-N 483.565 4.450 50 10 JIGE O=C(N[C@@H]1C[C@@H]2C[C@H]1C[C@H]2Br)c1ccc(I)c(Cl)c1 2330898944 CLZZIENLLALSNP-QISWUMQESA-N 454.533 4.236 50 10 JIGE C[C@H](Br)C[C@@H]1COCCN1Cc1ccc(Cl)c(I)c1 2337213810 CWYHYGMZMFWPFC-CMPLNLGQSA-N 458.565 4.319 50 10 JIGE CC(C)(C)OC(=O)NC[C@@H]1CN(C[C@]2(CBr)CC2(F)F)C[C@H]1C(F)(F)F 2351885917 QWBPBLSRYFWMSW-JTNHKYCSSA-N 451.274 4.042 50 10 JIGE N#C/C(=C\c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1)C(=O)NCc1ccc(Cl)cc1 33787476 ZRXRSFQOGRYFPH-MHWRWJLKSA-N 497.338 4.065 50 10 JIGE C[C@H]1CN(C(=O)CN2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)C(C)(C)CCl 34829891 IQMBVRQFDCUCOW-SBUREZEXSA-N 492.060 4.159 50 10 JIGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4)ccc32)c(OC)c1 38656946 SPXALWGXZQNRPO-SANMLTNESA-N 472.497 4.215 50 10 JIGE COc1cc(C(=O)N/N=C/c2ccc(SCC(=O)Nc3c(C)cccc3C)o2)cc(OC)c1OC 59506497 SYZDRWAYOMDIRP-LGJNPRDNSA-N 497.573 4.417 50 10 JIGE COc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)CCl)c2ccc(OC)cc2OC)cc1 97914313 SNCGZIUDEPYAGV-XMMPIXPASA-N 474.985 4.474 50 10 JIGE CCCN1C(=O)C(C#N)=C(C)/C(=C\Nc2c(Br)cc([N+](=O)[O-])cc2Br)C1=O 101235214 WKOCHMZRKPULNB-XYOKQWHBSA-N 498.131 4.034 50 10 JIGE Cc1ccc(C(=O)/C=C(/O)C(=O)NNC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1 104975275 DIKDSWPLWFGRST-PCLIKHOPSA-N 451.482 4.296 50 10 JIGE CCOc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2c(O)ccc3ccccc23)cc1 254514496 OACLZAOFHOHQBW-UHFFFAOYSA-N 496.523 4.285 50 10 JIGE COc1cc([C@H](Cl)c2cnn(C)c2I)c(OC)cc1Br 393647450 XPHVGKSHTMLJKM-LBPRGKRZSA-N 471.520 4.133 50 10 JIGE CC(C)[C@H]1CN(S(=O)(=O)c2ccc(CBr)cc2)CCN1Cc1ccccc1 704741349 VGJQTFCRQUIOII-OAQYLSRUSA-N 451.430 4.113 50 10 JIGE O=C(NCc1ccccc1)C(=O)NN=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 1084469293 FDYSCRZIHHROPC-UHFFFAOYSA-N 456.329 4.339 50 10 JIGE Cc1c(C(=O)Oc2ccccc2)oc2c1C(=NNC(=O)c1cncc(Br)c1)CCC2 1772746916 IVXPYFUMRGQNDN-UHFFFAOYSA-N 468.307 4.435 50 10 JIGE COc1ccc(-c2ccc(C(=O)NNC(=O)COc3ccc(Cl)cc3Cl)c(C)n2)cc1OC 1865757927 AZOYYFSPKDVOIB-UHFFFAOYSA-N 490.343 4.221 50 10 JIGE CC(=O)Oc1ccc(C[C@H](NC(=O)CCc2ccco2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866582923 DXUQKEQTWMWKQX-QHCPKHFHSA-N 477.542 4.077 50 10 JIGE CN(C)[C@H](C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1)c1ccccc1 1866705350 VFYROTVXRHBPJO-RPWUZVMVSA-N 476.577 4.368 50 10 JIGE CCC[C@@H](NC(=O)[C@H]1CCCN1Cc1ccccc1F)C(=O)Nc1ccc(SC#N)cc1 1866917352 GPCLZFJFOVJZPI-FGZHOGPDSA-N 454.571 4.287 50 10 JIGE O=C(N[C@H](CCBr)COCc1ccccc1)c1ccccc1I 1902789863 BXHOEBZIQAFZOB-OAHLLOKOSA-N 488.163 4.391 50 10 JIGE CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)S(=O)(=O)CCC(CCl)CCl 1959540921 CFIMATYEZIDVNW-UHFFFAOYSA-N 467.459 4.217 50 10 JIGE FC(F)(F)c1c(I)c(CBr)nn1[C@@H]1CCCSC1 2079258983 PMHGTUFAEZERTN-ZCFIWIBFSA-N 455.081 4.470 50 10 JIGE C[C@@H]1CN(S(=O)(=O)c2ccc(CBr)s2)[C@H](C)[C@@H](C)N1Cc1ccccc1 2123228966 GWBPAJJZUKUHOG-BZUAXINKSA-N 457.459 4.315 50 10 JIGE CSCC[C@@H](Br)CCNS(=O)(=O)c1c(Cl)cccc1Br 2146553329 BHXKKGIGYPUQFM-VIFPVBQESA-N 465.660 4.288 50 10 JIGE CC1(C)C[C@H](CBr)CN1S(=O)(=O)c1cc(Br)ccc1Br 2184272829 BZQZDBWEMYJBPZ-SECBINFHSA-N 490.055 4.396 50 10 JIGE C[C@@H](Br)[C@H](NS(=O)(=O)c1ccc(Cl)c(Br)c1)C(F)(F)F 2195326357 ZNWRMKFAFBKXMW-ANLVUFKYSA-N 459.509 4.095 50 10 JIGE CN(CC1CC(Br)C1)C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@]1(C)C(F)(F)F 2196906910 KVYYTASAOHQLQH-JJOHEJHASA-N 457.331 4.054 50 10 JIGE CC(C)(C)OC(=O)N1CCN(CCCCCI)C[C@@H]1CC(F)(F)F 2214697862 SDLSKIQPFJCYSA-ZDUSSCGKSA-N 464.310 4.465 50 10 JIGE CCN(C[C@](C)(CI)O[C@@H]1CC[C@@H]2[C@@H]1C2(F)F)C(=O)OC(C)(C)C 2216577073 NEUHJNMMEDQNHS-FOCJUVANSA-N 459.315 4.497 50 10 JIGE BrC[C@@]12CN(Cc3cccc(Br)c3Br)C[C@H]1CCO2 2231270544 RMQFFYUXKNQTCI-BXUZGUMPSA-N 454.000 4.197 50 10 JIGE CN(C[C@]1(Cl)CC1(C)C)S(=O)(=O)c1cc(CBr)sc1Br 2237991337 BTCGVLBYBLHVPJ-GFCCVEGCSA-N 465.660 4.434 50 10 JIGE CCN(C[C@@](C)(CI)OC[C@]12C[C@](C)(CO1)C2)C(=O)OC(C)(C)C 2247423090 SNDPZAOQQLZABN-KURKYZTESA-N 453.361 4.023 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N[C@H](CBr)CC1CC1 2277918899 VMUOHOLNXODKPX-ZDUSSCGKSA-N 454.000 4.434 50 10 JIGE BrC[C@@]12CCO[C@@H]1CN(Cc1c(Br)cccc1Br)C2 2278926059 VPYHCEWVGYNYAU-ZIAGYGMSSA-N 454.000 4.197 50 10 JIGE C[C@H](Cl)c1nc2cc(Br)ccc2n1-c1cnn(C)c1I 2280056878 MCNZLTDCMNMUNS-ZETCQYMHSA-N 465.520 4.426 50 10 JIGE CCCN1CC[C@@H]([C@H](Br)c2ccc(Cl)c(I)c2)S1(=O)=O 2283566050 MHWFLVSTKIPUNT-QWHCGFSZSA-N 492.604 4.195 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1CC[C@@H](C(F)(F)CBr)C1 2283661996 PUVZEPSMBFBGSE-SECBINFHSA-N 478.502 4.437 50 10 JIGE CCN(CC)c1ccc(C=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2)c(O)c1 2295489508 YSNLSOKJIODIIL-UHFFFAOYSA-N 499.615 4.226 50 10 JIGE CCOC(=O)C(C#N)=Cc1ccc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 2297492534 AIPZEPIAPRRHSP-UHFFFAOYSA-N 472.467 4.426 50 10 JIGE CCOC(=O)c1sc(NC(=O)C(C#N)=Cc2ccc(OCC)c(OC)c2)c(C(=O)OCC)c1C 2314728456 CXSLBNKEERFJFY-UHFFFAOYSA-N 486.546 4.363 50 10 JIGE CCOc1ccc(CCC(=O)Oc2ccc(C=C(C#N)C(=O)NC(C)C)cc2OC)cc1OC 2314790251 VXOLVUJTVUHUFI-UHFFFAOYSA-N 466.534 4.072 50 10 JIGE O=C(O)C[C@H](Br)C(=O)c1c(Cl)cc(Br)c(F)c1Br 2315442303 RRXUUGRNZRTIRT-BYPYZUCNSA-N 467.310 4.425 50 10 JIGE COc1ccc(C(C#N)=Cc2cccc(OC(=O)[C@H](C)N3C(=O)c4ccccc4C3=O)c2)cc1OC 2320511317 QIYFZTKZPUGFFK-KRWDZBQOSA-N 482.492 4.358 50 10 JIGE C[C@](NC[C@H]1C[C@H](Br)C1)(C(=O)O)c1cc(Br)c(Br)s1 2350026780 XNVGEHFTRILQAN-NQYJQULFSA-N 476.028 4.336 50 10 JIGE CCOC(=O)C1=C(C)NC(SCC(=O)C(C)(C)C)=C(C#N)[C@@H]1c1ccc(C(=O)OC)cc1 660115 QZNYVIOCHZLPLI-FQEVSTJZSA-N 456.564 4.081 50 10 JIGE Cc1ccccc1C[C@@H]1S/C(=C(\C#N)C(=O)NCc2ccco2)N(c2ccc(F)cc2)C1=O 1888989 WUMWXLHEAYFXBL-SCIJIFGBSA-N 461.518 4.470 50 10 JIGE O=C(CCCC(=O)OCCCc1ccccc1)NNC(=O)C(c1ccccc1)c1ccccc1 14016817 QMBVUSIHRYKUID-UHFFFAOYSA-N 458.558 4.312 50 10 JIGE Cc1c(C(=O)NC2CC(C)(C)NC(C)(C)C2)oc2c1/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 40812259 IWLNWTBUKCTCFU-TURZUDJPSA-N 495.580 4.006 50 10 JIGE CCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(Br)c(C)c2)c(OC)c1 40879159 HIFUXIBYWQRRFF-GZTJUZNOSA-N 487.350 4.184 50 10 JIGE C=CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc1OC 59433103 LMJFKQOSXYLQBG-XNTDXEJSSA-N 490.297 4.419 50 10 JIGE CCOC(=O)c1ccsc1NC(=O)/C(C#N)=C\c1ccc(OC)c(CN2CCSCC2)c1 96504428 LIZVXRDFDQVPSA-ATVHPVEESA-N 471.604 4.028 50 10 JIGE O=C(CN1C(=O)/C(=C\c2ccc(-c3ccccc3)o2)SC1=S)Nc1nnc(CCCl)s1 211937830 OXCNCYGPYFDCNB-XNTDXEJSSA-N 491.019 4.419 50 10 JIGE CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(O)c(OC)c2)cc1 252630541 VBVVMJTZOJZOPK-RFOQDLETSA-N 486.572 4.168 50 10 JIGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)C(=O)Nc2cccc(OC)c2)cc1 254605534 FIAOOHFFTQAPEZ-UHFFFAOYSA-N 497.555 4.426 50 10 JIGE Cc1ccc(C(=O)NCC(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(C)cc2)cc1 254652460 AXORXVADWYNJOL-UHFFFAOYSA-N 451.530 4.036 50 10 JIGE Cc1ccc(-n2c(SCC(=O)NN=Cc3ccc([N+](=O)[O-])cc3)nnc2-c2ccccc2)cc1 254863602 WXGZABNLXRHJPL-UHFFFAOYSA-N 472.530 4.393 50 10 JIGE C[C@@H]1C[C@@H](Br)CN1C(=O)c1cc(I)ccc1Br 384926508 FYSLPOGDXBBHQV-HTQZYQBOSA-N 472.946 4.052 50 10 JIGE Cc1noc2nc(-c3ccccc3)cc(C(=O)NNC(=O)c3ccc(Br)s3)c12 813537021 QQVFTAKTZJPFPL-UHFFFAOYSA-N 457.309 4.097 50 10 JIGE O=C(CSc1n[nH]c(NN=Cc2ccc3ccc4cccc5ccc2c3c45)n1)NNC(=O)C1CCC1 1084030010 HYEJPRNUHLSBAI-UHFFFAOYSA-N 497.584 4.188 50 10 JIGE CCOc1cc(/C=C(\C#N)C(=O)N(C)C)cc(I)c1OCc1cccc(F)c1 1084403609 NYFFJDYXAPCRAQ-LZYBPNLTSA-N 494.304 4.403 50 10 JIGE CCOC(=O)c1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(O)cc1)CCC2 1772745214 UATSZOMBNVPHNF-UHFFFAOYSA-N 475.501 4.193 50 10 JIGE CCCCCN1C(=O)C(=NNC(=O)COc2cccc(C)c2)c2cc(Br)ccc21 1772752433 LQNHDHDDVYALRN-UHFFFAOYSA-N 458.356 4.194 50 10 JIGE COc1cccc(-c2ccc(C(=O)N/N=C\c3cc(Br)c(O)c(OC)c3)c(C)n2)c1 1865760522 BOOJGZNZVOBMRO-MSXFZWOLSA-N 470.323 4.306 50 10 JIGE CC[C@H](NC(=O)Cc1nc(-c2ccc(F)cc2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866659520 HGLQGRCLSUSBPN-IBGZPJMESA-N 452.511 4.438 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1C[C@H]2CC[C@H]1CN2C(=O)OC(C)(C)C 1989306104 VZFSPXQHZHQUIY-BBWFWOEESA-N 461.694 4.270 50 10 JIGE O=C(N[C@H]1CCC[C@H]1CBr)c1ccc(Br)cc1I 2086147939 UPWMKMDIWOVJFF-UFBFGSQYSA-N 486.973 4.347 50 10 JIGE BrC[C@@H]1C[C@H]2OCC[C@H]2N1Cc1c(Br)cccc1Br 2094089809 AIIINGYCOYPZNP-CUOATXAZSA-N 454.000 4.338 50 10 JIGE C[C@]12CN(C(=O)c3ccc(Br)cc3Br)C[C@]1(CBr)C2 2109181634 HMMUKPVUWSCTEW-UONOGXRCSA-N 451.984 4.459 50 10 JIGE Cc1sc(CBr)cc1S(=O)(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1 2123228187 AUGPKDVRANQIDG-OAHLLOKOSA-N 457.459 4.094 50 10 JIGE CC[C@@H]1CN(C(=O)c2ccc(I)c(Cl)c2)C[C@@H]1CBr 2140782784 CXJUNHQPGJREQM-KOLCDFICSA-N 456.549 4.438 50 10 JIGE C[C@H]1C[C@@H](N(C)S(=O)(=O)c2cc(CCl)ccc2Br)CN1Cc1ccccc1 2154839537 KKUAHSMWVNODNQ-MAUKXSAKSA-N 471.848 4.471 50 10 JIGE C[C@@H](c1cc(Br)cs1)N(C)S(=O)(=O)CCC(F)(F)CBr 2186580317 ZBTXDFYMVVFNEW-QMMMGPOBSA-N 455.184 4.254 50 10 JIGE Cc1nn(C)c([C@H](Cl)c2cc(I)cc3c2OCC3)c1Br 2192372218 DJUSOACCZAPZNL-GFCCVEGCSA-N 467.532 4.359 50 10 JIGE BrC[C@@]12CCO[C@H]1CN(Cc1cccc(Br)c1Br)C2 2278945013 GLJNTVZNJFPJLZ-GXTWGEPZSA-N 454.000 4.197 50 10 JIGE CN(C(=O)c1c(F)cccc1I)C1(CBr)CC(C)(C)C1 2282795373 SWGODDVMMVMKDS-UHFFFAOYSA-N 454.121 4.456 50 10 JIGE CCOc1cc(C=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1OC 2295489449 AJQBUILFYOZGDC-UHFFFAOYSA-N 486.572 4.081 50 10 JIGE COc1cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc(Br)c1OC(C)=O 2297551587 SOFIVFHBSRQFKE-UHFFFAOYSA-N 474.267 4.145 50 10 JIGE CC(C)(CI)CN1C[C@H]2CC(F)(F)CC[C@@]2(NC(=O)OC(C)(C)C)C1 2326672562 MRGZJWUADPMVNO-CXAGYDPISA-N 472.358 4.462 50 10 JIGE Cc1noc(NS(=O)(=O)c2ccc(NC(=O)C(C#N)=Cc3ccc(Cl)cc3)cc2)c1C 2329651327 JQXATZBDBRDFTM-UHFFFAOYSA-N 456.911 4.291 50 10 JIGE O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(Sc2ncccn2)c([N+](=O)[O-])c1 3299527 GJMWRDLDNWXQBG-LUOAPIJWSA-N 476.440 4.117 50 10 JIGE Cc1ccc(O[C@H](C)C(=O)NNC(=S)NC(=O)c2ccc(OCCc3ccccc3)cc2)cc1C 10154262 LVCFNWHGQNXVAK-HXUWFJFHSA-N 491.613 4.028 50 10 JIGE CC[C@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c1 10671463 CPLFFJCVSCATBB-STQMWFEESA-N 484.405 4.274 50 10 JIGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)COc1ccc(Br)cc1Cl 13977981 LYAUZSBXMUKCQZ-SECBINFHSA-N 496.572 4.403 50 10 JIGE Cc1ccc(OCC(=O)NNC(=O)COc2ccc(-c3ccccc3)cc2)c(Br)c1 13981606 NTMBHJOHKLYMQP-UHFFFAOYSA-N 469.335 4.030 50 10 JIGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)c2cccc(OCCOc3ccccc3)c2)cc1 14040938 HXIIHCLFEBCJEG-FQEVSTJZSA-N 462.546 4.498 50 10 JIGE COc1cccc(/C(CSc2nc3ccccc3[nH]2)=N\NC(=O)c2cccc([N+](=O)[O-])c2)c1 59460592 KTDGFDIXJOOQDT-QLYXXIJNSA-N 461.503 4.406 50 10 JIGE C[C@@H](NC(=O)CCC(=O)C(C#N)=C1N(C)c2ccccc2N1C)c1ccccc1Br 108787641 ZXCGUFDBHIXIIV-OAHLLOKOSA-N 467.367 4.297 50 10 JIGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccccc4)ccc32)cc1 205656120 AVZKJTZLPFFROQ-WIYKSGFVSA-N 452.466 4.310 50 10 JIGE O=C1NCCCc2ccc([C@@H](Br)c3cccc(I)c3)cc21 228229597 DSRNLNAGOKZRBU-INIZCTEOSA-N 456.121 4.452 50 10 JIGE CCC(CBr)(CBr)NC(=O)c1ccc(OC)c(Br)c1 232861733 GIEBCLKTJJPDAD-UHFFFAOYSA-N 457.988 4.126 50 10 JIGE O=C(NN=Cc1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 254789347 ONMKXCSBPCTKRF-UHFFFAOYSA-N 498.583 4.417 50 10 JIGE CC(=NNC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1)c1ccc(C)c([N+](=O)[O-])c1 254801255 UXSRFNCQDMJKET-ROUUACIJSA-N 466.538 4.226 50 10 JIGE C[C@H]1CN(Cc2ccccc2)C[C@@]1(C)CNS(=O)(=O)c1ccc(CBr)cc1 379947570 DHKHOFANAOGDTL-LAUBAEHRSA-N 451.430 4.018 50 10 JIGE CC[C@H]1[C@H](CBr)CCN1S(=O)(=O)c1cc(Br)ccc1Br 385967665 ZTSWBHZHEMZDMN-CABZTGNLSA-N 490.055 4.396 50 10 JIGE O=C(NCC1(CBr)CCOCC1)c1cc(Br)cc(Br)c1 700910994 IFMSEDKLYAGDJR-UHFFFAOYSA-N 469.999 4.133 50 10 JIGE CC(C)(CCBr)NC(=O)c1ccc(I)c(Br)c1 721595037 RZLKYJIHACAKDP-UHFFFAOYSA-N 474.962 4.347 50 10 JIGE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1cc2c(s1)CCCCCC2 1160397873 BIUYNHYZILPIQK-HNNXBMFYSA-N 456.008 4.204 50 10 JIGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)N=c5cc[nH]cc5)c(C)c43)coc2c1 1772751694 JVNKYLDFVDBNSZ-UHFFFAOYSA-N 470.529 4.420 50 10 JIGE COc1cc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc([N+](=O)[O-])c1O 1772755083 LHXNDJKQNXLABD-UHFFFAOYSA-N 478.939 4.328 50 10 JIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)c(Cl)c2)ccc1O 1865705633 AMTQOJSGVWKYTH-HXUWFJFHSA-N 457.317 4.479 50 10 JIGE CN(Cc1cnn(Cc2ccccc2)c1)S(=O)(=O)c1ccc(CCl)cc1Br 1915034361 YWDDVTZTKDENCF-UHFFFAOYSA-N 468.804 4.253 50 10 JIGE CCn1cc(C(=O)N(Cc2ccccc2)[C@H](CBr)C2CC2)nc1Br 1915315580 XICXFOHDMHLJLU-MRXNPFEDSA-N 455.194 4.481 50 10 JIGE CC(C)[C@@H](Br)CN(C)c1ncc(I)cc1Br 1988531123 OYDMODPRRLITAN-JTQLQIEISA-N 461.967 4.304 50 10 JIGE Clc1cc(I)cc(CBr)c1I 2060261467 UOJLVCXUCDMGLE-UHFFFAOYSA-N 457.274 4.444 50 10 JIGE Brc1cc(I)cnc1N1C[C@@H]2CC[C@@H](Br)C[C@H]2C1 2069529495 QNMIRRSJOAKYNW-LPEHRKFASA-N 485.989 4.449 50 10 JIGE O=C(NC1CC(CCBr)C1)c1ccc(Br)cc1I 2086145087 IMZIDYGSXVWFSZ-UHFFFAOYSA-N 486.973 4.347 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CCC[C@@H](Br)CC1 2086149026 JDDNYDSKUMQJSM-SECBINFHSA-N 486.973 4.443 50 10 JIGE C[C@@H]1CN(Cc2ccccc2)CCCN1S(=O)(=O)c1ccc(Br)c(CCl)c1 2144828850 GSJSRRPXHYVCDE-MRXNPFEDSA-N 471.848 4.473 50 10 JIGE C[C@@H]1CN(Cc2ccccc2)CCN1S(=O)(=O)c1cc(F)c(Cl)c(CBr)c1 2179861150 CUCFOJGSAJWHIF-CQSZACIVSA-N 475.811 4.269 50 10 JIGE C[C@@H]([C@@H](Br)c1cc(Br)c(Br)cc1F)S(C)(=O)=O 2213493617 WPLOXRCGGHOSLI-XUOSJQGZSA-N 452.965 4.220 50 10 JIGE CC(C)(C)OC(=O)N1C[C@@H](I)[C@H](OCCCC(F)(F)C(F)(F)F)C1 2217219650 LOTBLGRAXBIVEE-NXEZZACHSA-N 473.220 4.404 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1C[C@@H](Br)CCC12CC2 2227506084 PJHOAOJOKLUGAM-JTQLQIEISA-N 454.533 4.477 50 10 JIGE COc1cc(OC)c([C@@H](Br)c2cc(Br)n(C)n2)cc1Br 2295432814 MGXCCKIFTLGOGZ-CYBMUJFWSA-N 468.971 4.447 50 10 JIGE C=CCNC(=O)C(C#N)=C1S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(OC)cc1 2314592880 DCSZNVFCGFDWIK-HXUWFJFHSA-N 498.402 4.186 50 10 JIGE CCn1cnc(CC(CBr)(CBr)c2ccccc2Br)n1 2367643524 FFXSSLOQFCHDJW-UHFFFAOYSA-N 466.015 4.331 50 10 JIGE CCCCCCOc1ccc(C(=O)NNC(=O)CCC(=O)Nc2ccc(OCC)cc2)cc1 14028409 FHJIKXXTNJSRPQ-UHFFFAOYSA-N 455.555 4.224 50 10 JIGE CCc1ccc(OCC(=O)NNC(=O)c2cc(Br)ccc2OCCC(C)C)cc1 14650766 IPWPYYWYFUOLPH-UHFFFAOYSA-N 463.372 4.276 50 10 JIGE O=C(NN/C=C1/C(=O)N(c2ccccc2C(F)(F)F)C(=O)c2ccccc21)c1ccccc1 38181609 ZOAKDZYGLUIPTL-NBVRZTHBSA-N 451.404 4.168 50 10 JIGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)cc4)ccc32)cc1OC 38658392 KADMXWOXKBKFNJ-AREMUKBSSA-N 472.497 4.215 50 10 JIGE O=C(NNc1ncnc(NCc2ccc(F)cc2)c1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 40659369 UZFASIJOEXKSIR-UHFFFAOYSA-N 472.480 4.411 50 10 JIGE COc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc([N+](=O)[O-])cc2)CCC3)cc1 40812239 QFPMHHPBRWHIEU-LGUFXXKBSA-N 462.462 4.228 50 10 JIGE CCCCC(=O)N/N=C/c1ccc(OCc2ccccc2C#N)c(I)c1 59146711 SUOGQNDHTADTPA-YDZHTSKRSA-N 461.303 4.382 50 10 JIGE O=C(CCc1ccc2c(c1)OCO2)N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21 59158569 XVTXBOQQVUEYGE-COOPMVRXSA-N 461.905 4.069 50 10 JIGE Cc1ccccc1SCC(=O)N/N=C1\C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 59166869 BGMBLBREUZMEDN-RWEWTDSWSA-N 460.515 4.063 50 10 JIGE COc1cc(Br)cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c1O 59303881 HNQJRKQNKXJHLL-DNTJNYDQSA-N 468.101 4.436 50 10 JIGE O=C1OC(=O)[C@H]2[C@H]1[C@@H](c1ccccc1)C=CN2n1c(-c2ccc(Cl)cc2)nc2ccccc2c1=O 105629393 RTSSVKFLFSTOQB-UEVCKROQSA-N 483.911 4.034 50 10 JIGE COCCO[C@H]1[C@@H](Oc2ccc(Br)cc2Br)C[C@H]1Br 234725443 VHFTXWHJSHHONO-KGYLQXTDSA-N 458.972 4.158 50 10 JIGE CCOc1cc([C@@H]2c3sc(=S)[nH]c3S[C@@H]3[C@H]4C[C@@H]([C@@H]5C(=O)OC(=O)[C@@H]54)[C@@H]23)ccc1O 256027006 RYZGPIBTQOPVRB-PEBYFVSTSA-N 461.586 4.098 50 10 JIGE O=C(C1CC1)[C@@H](Br)Cc1cc(I)ccc1Br 300892010 FYERKEUYOMLWEN-NSHDSACASA-N 457.931 4.339 50 10 JIGE C[C@@H](Br)c1cn(-c2ccc(Br)c(I)c2)nn1 300899961 KLTQRLUZETXZTJ-ZCFIWIBFSA-N 456.907 4.090 50 10 JIGE CCN(C[C@H](C)Br)C(=O)c1cc(Br)ccc1I 691352252 VYGTWRWFSVFZOT-QMMMGPOBSA-N 474.962 4.299 50 10 JIGE C[C@H]1CN(C(=O)c2ccc(I)c(Br)c2)CC[C@H]1Br 721606968 BPTDABPOSKORCD-WCBMZHEXSA-N 486.973 4.299 50 10 JIGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)CSc3nc4ccccc4[nH]3)cc2)cc1 725443579 MINSBKYCLNWLAY-UHFFFAOYSA-N 460.515 4.033 50 10 JIGE Cc1cc(C(=O)NNC(=O)C2CCN(c3nc4ccccc4s3)CC2)c(C)n1-c1ccccc1 727363879 GZMWLRIUHKUPIC-UHFFFAOYSA-N 473.602 4.381 50 10 JIGE Cc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)C2CCN(c3ncccn3)CC2)cc1 728784145 YOOUWERSWMWTLH-UHFFFAOYSA-N 465.561 4.004 50 10 JIGE CC(C)N(C)C(=O)C1CCN(C(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)CC1 915184670 DPSGEUPICPORSD-QNGOZBTKSA-N 493.011 4.130 50 10 JIGE CC(C)c1ccc([C@H](NC(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)c2cccs2)cc1 916205346 GGIGJSCPHZDARH-QFIPXVFZSA-N 475.574 4.496 50 10 JIGE COc1cccc(C=NNC(=O)COc2c(C)cc(Br)cc2Br)c1 1084365283 ZZWLVBJSBAHHQT-UHFFFAOYSA-N 456.134 4.058 50 10 JIGE C#CCN1CCCN(C(=O)/C(C#N)=C\c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)CC1 1628350759 LOWGXAFTKZVOIF-ZHZULCJRSA-N 455.389 4.475 50 10 JIGE COc1ccc(OC)c(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc([N+](=O)[O-])c2)CCC3)c1 1772746473 VTSZALALIPMROE-UHFFFAOYSA-N 492.488 4.236 50 10 JIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2c(F)cccc2Cl)cc(OC)c1OC 1865692740 PBUOGAFDOCBBQU-OAQYLSRUSA-N 484.915 4.276 50 10 JIGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N(C(C)(C)C)C3)n2)c(OC)c1OC 1872759325 KKDJOPRFSIEWGM-XEMYWUMJSA-N 457.552 4.276 50 10 JIGE O=C(N[C@H](CBr)C[C@@H]1CCOC1)c1csc(Br)c1Br 1883273302 DOGQOTDGAISSGJ-YUMQZZPRSA-N 476.028 4.193 50 10 JIGE CC1(C)[C@@H](CBr)CCN1c1ncc(I)cc1Br 2015764697 LDSODBZORRVSMY-MRVPVSSYSA-N 473.978 4.449 50 10 JIGE COC[C@@](C)(CCBr)NC(=O)c1csc(Br)c1Br 2040246275 DZEACCXFYMWJAT-LLVKDONJSA-N 464.017 4.193 50 10 JIGE CCc1ccc(I)c(I)c1C(=O)CBr 2060141785 SFYHHXNDPKBODJ-UHFFFAOYSA-N 478.893 4.036 50 10 JIGE BrCCN1CCCN(Cc2cccc(Br)c2Br)CC1 2092337324 HSQGPBCZYRMACV-UHFFFAOYSA-N 455.032 4.114 50 10 JIGE Cc1c(Br)cc(CCl)cc1S(=O)(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 2152158862 MBIHYLCMIPIQTE-SFHVURJKSA-N 471.848 4.391 50 10 JIGE O=C(c1cccc(F)c1I)N1CC[C@@H](Br)CC12CCC2 2169894286 RVZNJXJRURBLSS-SNVBAGLBSA-N 452.105 4.353 50 10 JIGE CN([C@H](CCBr)C(F)F)S(=O)(=O)c1cc(Br)ccc1Br 2178520497 KSFLPBQKMIRQCJ-SECBINFHSA-N 499.997 4.251 50 10 JIGE FC(F)([C@@H](Br)c1cc(I)cc2c1OCC2)[C@@H]1CCOC1 2185253276 FGRNURHNWHGPCZ-RNCFNFMXSA-N 459.068 4.334 50 10 JIGE C[C@H]1CC[C@](CBr)(NS(=O)(=O)c2cc(Br)ccc2Br)C1 2194678649 INYAIPMMSRVWGH-ZANVPECISA-N 490.055 4.444 50 10 JIGE O=C(N[C@@H]1CC[C@@H]2C[C@@]21CBr)c1ccc(Cl)c(I)c1 2268342321 SKGFLUBZSXOHQU-GAJTVXKRSA-N 454.533 4.238 50 10 JIGE O=C(c1c(F)cccc1I)N1C[C@H]2[C@H](Br)CCC[C@H]2C1 2282792058 MFBVTOLZBRMLEZ-HBNTYKKESA-N 452.105 4.066 50 10 JIGE CCc1ccc(NC(=O)C(C#N)=Cc2cc(I)c(OC)c([N+](=O)[O-])c2)cc1 2294005084 YYKJRBXAMATMIG-UHFFFAOYSA-N 477.258 4.316 50 10 JIGE O=C(NN=Cc1ccccc1OC(=O)c1ccco1)C(=Cc1cccs1)NC(=O)c1ccccc1 2296654277 DJVZNPYMEGGEDN-UHFFFAOYSA-N 485.521 4.482 50 10 JIGE COc1ccc(C(C#N)=Cc2ccc(OC(=O)[C@H](C)N3C(=O)c4ccccc4C3=O)cc2)cc1OC 2320506704 PPQNFFRDPRNLRU-KRWDZBQOSA-N 482.492 4.358 50 10 JIGE NNC(=O)c1cc(CSc2cc(I)ccc2Br)cs1 2338332573 IMPTWAMRYQBAFZ-UHFFFAOYSA-N 469.167 4.011 50 10 JIGE CC(C)(C)OC(=O)N[C@@H]1CCN(C[C@]2(CBr)CC2(F)F)[C@H](C(F)(F)F)C1 2351886355 YCTPVASFBIHKJN-UHIISALHSA-N 451.274 4.327 50 10 JIGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1C[C@@H]2C[C@@H](Br)[C@H]1C2 2355624125 ONUCPZNOWFENBF-AZTOOPQRSA-N 464.006 4.302 50 10 JIGE Cc1ccc(O[C@@H](C)C(=O)NNC(=O)COc2c(Cl)cc(Cl)cc2Br)cc1C 10153464 QABKLLUZWICXLM-LBPRGKRZSA-N 490.181 4.366 50 10 JIGE C=CCOc1ccc(C(=O)NNC(=O)COc2ccc3ccccc3c2Br)cc1 14019160 PIXVZCHHINNDFZ-UHFFFAOYSA-N 455.308 4.007 50 10 JIGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1cccc(OCCC(C)C)c1 14644863 ZWXDKWGANYRWKB-SFHVURJKSA-N 471.623 4.340 50 10 JIGE COC(=O)C1=C(N)N2C(=O)c3ccccc3SC2=C(C#N)[C@H]1c1ccc(Cl)cc1Cl 20220432 SNDCKOYUNAMJNB-MRXNPFEDSA-N 458.326 4.417 50 10 JIGE O=C(CSc1nnc(COc2ccc(Cl)cc2)n1-c1ccccc1)NNC(=O)c1ccccc1 28918158 CNUAENUKVDQHIQ-UHFFFAOYSA-N 493.976 4.053 50 10 JIGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C\c2ccc(Cl)c(Cl)c2)c(OC)c1 33378324 NIWWNMQJITYQBC-YMZVDNRMSA-N 475.328 4.290 50 10 JIGE Cc1c(C(=O)Nc2ccccn2)oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2 40812941 BYVGFSZTHFUKEW-WGOQTCKBSA-N 467.323 4.468 50 10 JIGE CN(C)c1ccc(/C=C(\NC(=O)c2cccc(F)c2)C(=O)NN=Cc2cn(C)c3ccccc23)cc1 254382269 WNDWDJJGGJHEES-XHXIHYIRSA-N 483.547 4.305 50 10 JIGE C[C@H](Sc1nc2ccccc2s1)C(=O)NN=Cc1cc2c(cc1Br)OCO2 254498915 UPDYBRNDNUUTKA-JTQLQIEISA-N 464.366 4.418 50 10 JIGE COc1ccc(C(=O)NN=Cc2cc(Cl)c(OC(=O)c3ccc(OC)cc3)c(OC)c2)cc1 254613254 YQDAEBKFVSMAKA-UHFFFAOYSA-N 468.893 4.349 50 10 JIGE CC(C)CC(=O)N[C@H](Oc1ccc(C=NNC(=O)c2ccccc2O)cc1)C(Cl)(Cl)Cl 254860415 LTFXPNRRJKTFQV-HXUWFJFHSA-N 486.783 4.394 50 10 JIGE Cc1cccc(N)c1[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1CI 382726831 QYVUYEWUKGZQEU-SJORKVTESA-N 450.320 4.364 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CCSC[C@H]1CCCl 689281832 ZINMSSBKHAVFBR-SNVBAGLBSA-N 474.589 4.240 50 10 JIGE CC(C)(C)c1ccc(C(=O)NNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1 726721775 JEFKXTIBSYPZMX-UHFFFAOYSA-N 460.525 4.199 50 10 JIGE CC(=O)CCc1ccc(OCc2cccc(C(=O)NNc3c(F)c(F)nc(F)c3F)c2)cc1 727365110 LTXCOHNIUCYJJQ-UHFFFAOYSA-N 461.415 4.496 50 10 JIGE Cc1cc(/C=C(\C#N)C(=O)N2CCC[C@H](CN3CCCCCC3)C2)c(C)n1C[C@@H]1CCCO1 728530055 BRBRYTDNBNGZAJ-ZELAJGKTSA-N 452.643 4.306 50 10 JIGE CCCOc1c(I)cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1OC 1084347460 FHOGORUBORFHJV-YVLHZVERSA-N 476.314 4.312 50 10 JIGE CC1=C(C(=O)NN=Cc2cccc(Br)c2)[C@H](c2ccc(Cl)cc2)NC(=S)N1 1084427194 HAMPIVULGGRUDO-KRWDZBQOSA-N 463.788 4.046 50 10 JIGE C[C@H](c1ccncc1Br)[C@@H](Br)c1cnn(C)c1I 1924048073 RQBCZXOSIGNQFA-RDDDGLTNSA-N 484.961 4.422 50 10 JIGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@H](CNC(=O)[C@H](Br)C2CCCC2)C1 2025232639 XQPYXZGPZZTJML-NHCUHLMSSA-N 494.474 4.178 50 10 JIGE Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NN=CC=Cc3ccccc3[N+](=O)[O-])c2)c(C)c1 2053578077 YVRZNMQXIBJAEX-UHFFFAOYSA-N 478.530 4.441 50 10 JIGE O=S(=O)(c1ccc(CBr)s1)N1CCN(Cc2ccccc2)C2(CCC2)C1 2123237879 ROTUVNVUNLCYSY-UHFFFAOYSA-N 455.443 4.072 50 10 JIGE O=C(N[C@H]1COC2(CCC2)[C@@H]1Br)c1scc(Br)c1Br 2141558686 QSHZOTMAWVDYIV-OIBJUYFYSA-N 474.012 4.088 50 10 JIGE CC1(C)[C@H](Cl)C[C@H]1CNC(=O)c1ccc(Br)cc1I 2142282313 BUHMPPQHXMLBEO-QPUJVOFHSA-N 456.549 4.437 50 10 JIGE CC1(C)CCN(C(=O)c2ccc(F)cc2I)C[C@@H]1CBr 2148655410 SKEIWJJZVNEVGA-JTQLQIEISA-N 454.121 4.314 50 10 JIGE CS(=O)(=O)C1(COc2c(Br)cc(Br)cc2CBr)CCC1 2167888155 OGBUBHDCEKTAHW-UHFFFAOYSA-N 491.039 4.453 50 10 JIGE C[C@@]1(CBr)CC(F)(F)CN1C(=O)c1cc(I)ccc1F 2169660805 BXOALAJZKZIAAP-LBPRGKRZSA-N 462.047 4.065 50 10 JIGE CCCn1cc(S(=O)(=O)N(C)[C@H]2CC[C@H]2OCc2ccccc2)cc1CBr 2179860151 NOBRFOFUTIXXRN-VQTJNVASSA-N 455.418 4.161 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1CC[C@@H](Br)[C@@H]2CC[C@@H]21 2331941386 XPKSPSCLMXJLAP-NDMJEZRESA-N 454.533 4.333 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1C[C@@H]2CC[C@@H](Br)[C@H]2C1 2340062935 FUPXMNVNJJGOKC-KPXOXKRLSA-N 454.533 4.190 50 10 JIGE CC(C)(C)[C@@H]1[C@@H](Br)CCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364213453 BHSKEHYAWCFSQN-OALUTQOASA-N 499.471 4.057 50 10 JIGE COc1ccc(-c2cc(C(=O)N/N=C/c3ccc(OC)c(OCc4ccccc4)c3)[nH]n2)cc1OC 5352133 FZICOBTUDLHSIZ-LQKURTRISA-N 486.528 4.445 50 10 JIGE Cc1cc(Br)cc(C)c1OCC(=O)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 12490019 DHIVUNWGKBDWOA-GFCCVEGCSA-N 490.181 4.366 50 10 JIGE Cc1cc(Br)cc(C)c1O[C@H](C)C(=O)NNC(=O)COc1cccc2ccccc12 14643267 WAZRACFHXODJLL-MRXNPFEDSA-N 471.351 4.213 50 10 JIGE O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1CCN(C(=O)[C@@H](Cl)c2ccccc2)CC1)c1ccccc1 34899635 AHLUBJISZPZLTO-SMIHKQSGSA-N 482.024 4.063 50 10 JIGE COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C(/C#N)C(=O)Nc1ccc(F)cc1 39858831 PUYLISUPPAQAKU-VKAVYKQESA-N 470.460 4.489 50 10 JIGE Cc1cccc(C)c1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc([N+](=O)[O-])c1 40527366 SVZHSMPMGUQNFF-XMMPIXPASA-N 471.469 4.414 50 10 JIGE O=C(NNc1ncnc(NC(c2ccccc2)c2ccccc2)c1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 40650604 SETLCYPRNDQHEO-UHFFFAOYSA-N 485.460 4.251 50 10 JIGE CCOC(=O)c1nn(-c2ccccc2)c2c1CN(C(=O)N[C@@H]1CC(C)(C)C[C@@](C)(CN=C=O)C1)CC2 170290574 KNYKETOCFXFGGJ-WINIVTDRSA-N 493.608 4.038 50 10 JIGE CCCCOC(=O)c1ccccc1NC(=O)/C(C#N)=C\N1CCN(c2cccc(Cl)c2)CC1 217240999 ZPOVUBGNFVCHFR-HNENSFHCSA-N 466.969 4.465 50 10 JIGE CCC(CBr)(CBr)NS(=O)(=O)c1ccc(Cl)c(Cl)c1 232874785 RJPJBESTCORPLR-UHFFFAOYSA-N 454.011 4.210 50 10 JIGE C[C@@H]1CCN(C(=O)c2cc(Br)ccc2I)C[C@H]1Br 235332646 HYVVUEZTDJKGLS-LDYMZIIASA-N 486.973 4.299 50 10 JIGE N#C/C(=C\c1ccc2c(c1)OCO2)C(=O)N=C1c2ccccc2CN1c1cccc([N+](=O)[O-])c1 254632867 SVKPQZITSXAYOU-RPBFRBFKSA-N 452.426 4.224 50 10 JIGE COc1cc(C=NNC(=O)COc2ccccc2C)ccc1OC(=O)c1ccccc1Cl 254700907 HJAZKLMDRAYQOC-UHFFFAOYSA-N 452.894 4.405 50 10 JIGE Nc1cc(F)ccc1[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1CI 382732881 VKSALNXOAVNJJR-PBHICJAKSA-N 454.283 4.195 50 10 JIGE COc1ccc(C[C@H](NC(=O)NNC(=O)c2cccc3cccnc23)c2ccccc2)cc1OC 727477903 QHUZTCVFNMDZJR-QFIPXVFZSA-N 470.529 4.180 50 10 JIGE Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(S(=O)(=O)C[C@H]3CCCO3)cc2)c(C)n1CC(C)C 731338020 LKCYJHWPDQKCNH-QCHPHUCNSA-N 469.607 4.259 50 10 JIGE CCC(=NNC(=O)CCCSc1nnc(-c2ccccc2Br)n1N)c1ccccc1 1083887218 ACXXAGRMKSPAEJ-UHFFFAOYSA-N 487.427 4.224 50 10 JIGE O=C(Cn1c(C(F)(F)F)nc2ccccc21)NN=Cc1cc(Br)cc(Cl)c1O 1084474363 VPNRDFNJCVGWBG-UHFFFAOYSA-N 475.652 4.327 50 10 JIGE Cc1nc(-c2ccc(F)c(F)c2)ccc1C(=O)NNC(=O)COc1ccc(Cl)cc1Cl 1865755886 VNFQMHJSOCDQRH-UHFFFAOYSA-N 466.271 4.482 50 10 JIGE N#CSc1ccc(NC(=O)[C@@H](CO)NC(=O)[C@@H](c2ccc(Cl)cc2)C2CCCC2)cc1 1867007760 NMBFMYXBWNYJDB-NHCUHLMSSA-N 457.983 4.303 50 10 JIGE COCCCN1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4cccc(OC)c4)cs3)cc2C1=O 1872744463 SUZZNJDHKSTMGL-XDOYNYLZSA-N 475.526 4.401 50 10 JIGE COc1ccc(-c2csc(/C(C#N)=C(\O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n2)cc1C 1872746502 LBCQODLZZXIYPF-ZPHPHTNESA-N 476.470 4.124 50 10 JIGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)c1ccc(Br)c(O)c1 1916384370 BBGPGUKQNUQOEH-OAHLLOKOSA-N 457.162 4.207 50 10 JIGE O=C1[C@@H](Br)CCN1c1cc(Br)c(Br)c(Br)c1 1938593331 CQUMOEIPFMMKJH-LURJTMIESA-N 476.788 4.474 50 10 JIGE Cc1cnc(C)c(-n2nc(CBr)c(I)c2C(F)(F)F)c1 2078932128 BINWCWRWRSNNNX-UHFFFAOYSA-N 460.035 4.402 50 10 JIGE CN1CCCC[C@H]1n1nc(CBr)c(I)c1C(F)(F)F 2079260659 KPALNNQLSQNBIN-MRVPVSSYSA-N 452.056 4.016 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@H](CBr)C2(CC2)C1 2087791622 DOQZDVRMADGDIX-VIFPVBQESA-N 498.984 4.301 50 10 JIGE C[C@]12CN(C(=O)c3cc(I)ccc3Br)C[C@]1(CBr)C2 2109180800 BXZISYVPCFMOLY-UONOGXRCSA-N 498.984 4.301 50 10 JIGE O=C(NC[C@H](Br)CBr)c1ccc(Br)cc1C(F)(F)F 2116369746 WYEGGONIZXTXFX-SSDOTTSWSA-N 467.905 4.356 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CC[C@@H](Br)[C@H]1C1CC1 2130611635 MSDKERMCJBKCBM-DGCLKSJQSA-N 498.984 4.442 50 10 JIGE C[C@]1(CBr)COCCN(C(=O)c2scc(Br)c2Br)C1 2135077182 JWBUHIJHSGMQQF-GFCCVEGCSA-N 476.028 4.147 50 10 JIGE CN(C[C@H](Br)C1CCCC1)C(=O)Cc1ccccc1I 2167650654 JRLFYWHCMRFMKP-AWEZNQCLSA-N 450.158 4.246 50 10 JIGE C=CCN(CC(=C)Br)S(=O)(=O)c1ccc(CBr)c(Br)c1 2179956840 VETCZIXWRLKRDO-UHFFFAOYSA-N 488.039 4.429 50 10 JIGE CCC[C@H]1CN(C(=O)c2cc(I)ccc2F)C[C@H]1CBr 2205701981 HTFBJAZPQDVVQX-WDEREUQCSA-N 454.121 4.314 50 10 JIGE O=C(NCC1(CBr)CC(F)(F)C1)c1ccc(I)c(Cl)c1 2281664181 VZWBYLQXZVQTKV-UHFFFAOYSA-N 478.502 4.485 50 10 JIGE Cc1cccn2c(=O)c(C=C(C#N)c3nc4ccccc4s3)c(N3C[C@H](C)O[C@@H](C)C3)nc12 2296731224 GETLLNHZFWYCMM-IRXDYDNUSA-N 457.559 4.290 50 10 JIGE CC(C)(CI)CN1CCC[C@]1(CNC(=O)OC(C)(C)C)C(F)(F)F 2306818838 OGQAWFSLYJLLQV-HNNXBMFYSA-N 464.310 4.369 50 10 JIGE C[C@@H]1CN(Cc2ccc(I)c(Br)c2)C[C@@H](CBr)O1 2325213597 VDZCAFHNVYVZAP-MWLCHTKSSA-N 488.989 4.038 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CC[C@H]2[C@H](CBr)[C@H]2C1 2333117886 SZYCNDYRGYEEOC-DLOVCJGASA-N 498.984 4.157 50 10 JIGE O=C(c1ccc(Br)cc1I)N1[C@H]2CC[C@@H]1[C@H](CCl)C2 2333351370 YXUPSSPQEDHYOL-GMOODISLSA-N 454.533 4.286 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1C[C@H]2CC[C@H]1C[C@@H]2Br 2337063510 CVZAVELFNQAXLV-QRTLGDNMSA-N 454.533 4.333 50 10 JIGE Cc1cc(/C=C(\C#N)C(=O)OCC(=O)NC(C)(C)C)c(C)n1-c1ccc(Br)cc1 9093968 BCAYFZMWCRIXGQ-GZTJUZNOSA-N 458.356 4.222 50 10 JIGE Cc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)N4CCN(c5ccccc5F)CC4)c(C)c32)cc1 40804486 XJTAZSZQTNIEQQ-JBASAIQMSA-N 488.563 4.468 50 10 JIGE Cc1c(C(=O)Nc2cccc([N+](=O)[O-])c2)oc2c1/C(=N/NC(=O)c1ccc(F)cc1)CCC2 40811942 KZAQSDBVYSXQGO-NLRVBDNBSA-N 450.426 4.358 50 10 JIGE CCOC(=O)c1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccccc1OC)CCC2 40813228 PEQKFRHDUCVDSX-ZTKZIYFRSA-N 489.528 4.496 50 10 JIGE COC[C@@H](C)NC(=O)c1oc2c(c1C)/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 40815396 CYDSWYPXHMFDES-SGPAOCDASA-N 473.573 4.341 50 10 JIGE CCCOc1ccccc1/C=C(/C#N)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1 206987092 WYOHDHBNTNRVEP-JXAWBTAJSA-N 466.519 4.118 50 10 JIGE O=S(=O)(N[C@H]1CCC[C@@H](Br)C1)c1cc(Br)ccc1Br 694496289 JRHPRFCAQSHXLM-SCZZXKLOSA-N 476.028 4.196 50 10 JIGE O=C(NNC(=O)c1ccccc1OCc1ccc(F)cc1)N[C@H](c1ccccc1)[C@@H]1CCCO1 726711428 GHJPFSRIGQXVBV-BJKOFHAPSA-N 463.509 4.269 50 10 JIGE O=C(Cc1ccccc1Br)NNC(=O)c1ccccc1OCc1ccc(F)cc1 729167026 FKDNQXHESYYBEY-UHFFFAOYSA-N 457.299 4.171 50 10 JIGE Cc1cc(/C=C(/C#N)C(=O)N2CCC[C@@H]2C(=O)NCc2ccco2)c(C)n1-c1ccc(F)cc1 914581943 HDJHCDMDVURXID-FIYNTEMGSA-N 460.509 4.041 50 10 JIGE Cc1nn(Cc2ccccc2Cl)c(C)c1C=NNC(=O)c1cc(Br)ccc1O 1084487543 OCSPJEUUTXINKU-UHFFFAOYSA-N 461.747 4.434 50 10 JIGE C[C@H](NC(=O)C(=O)NN=Cc1ccc(OCc2ccc(Br)cc2)cc1)c1ccccc1 1084526595 ZCVPVKAWDWRJSA-KRWDZBQOSA-N 480.362 4.356 50 10 JIGE CC(=O)CCc1ccc(OCC(=O)NNc2cccc(OC(F)F)c2Br)cc1 1637762462 SGMBTPAOOTUKII-UHFFFAOYSA-N 457.271 4.094 50 10 JIGE COc1ccc(C=NNC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1O 1772754691 PTELQMARWNCTNC-UHFFFAOYSA-N 455.308 4.359 50 10 JIGE COc1cc(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC(C)C)c1O 1865695450 CRGOVOYXTWRZHV-CYBMUJFWSA-N 487.276 4.253 50 10 JIGE CCOC(=O)c1c(NC(=O)c2ccc(O[C@@H](C)C(=O)N/N=C/c3ccc(C)[nH]3)cc2)sc(C)c1C 1873496411 QBPNRZQLZAFXHB-PASSITCSSA-N 496.589 4.348 50 10 JIGE O=C(O)C=Cc1cc(Br)c(OC[C@@H]2C[C@H]2Br)c(Br)c1 1887908572 SMALKPNCKXTSHG-DTWKUNHWSA-N 454.940 4.472 50 10 JIGE CC[C@H](CBr)CNC(=O)c1ccc(I)c(Br)c1 1948701790 LLSGJVHAYVJDIE-MRVPVSSYSA-N 474.962 4.205 50 10 JIGE CN(c1ncc(I)cc1Br)C1CC(CBr)C1 1990041150 OBGOBEUBCXLSSB-UHFFFAOYSA-N 459.951 4.058 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CC[C@@H](Cl)C2(CC2)C1 2093177128 BDDYAAOTVGRQDF-GFCCVEGCSA-N 454.533 4.287 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CC[C@@H](Br)[C@H]1C1CC1 2142279794 VJWNXEAYMWBPRL-DGCLKSJQSA-N 498.984 4.442 50 10 JIGE O=C(c1ccc(F)cc1I)N1C[C@@H](Br)CC2(CCC2)C1 2151344559 FUOVTMKFMMMCGZ-JTQLQIEISA-N 452.105 4.210 50 10 JIGE CN(C[C@H](Br)C1CCCC1)C(=O)c1cccc(F)c1I 2167656340 PIYAMVGAFCUTSL-LBPRGKRZSA-N 454.121 4.456 50 10 JIGE C[C@@H]1CCN(Cc2ccccc2)CCN1S(=O)(=O)Cc1ccc(CBr)cc1 2179787511 QAOLHAVWFNZWQS-GOSISDBHSA-N 451.430 4.008 50 10 JIGE Cc1ccc(CBr)cc1S(=O)(=O)N1CCN(Cc2ccccc2)C(C)(C)C1 2179787937 VTFBQKQZAHSRFV-UHFFFAOYSA-N 451.430 4.175 50 10 JIGE CN(CC1CC(Br)C1)C(=O)[C@H]1C[C@@H](C(F)(F)F)CCN1C(=O)OC(C)(C)C 2196908388 XIFWBJLOQHJJMO-GNRIBBGQSA-N 457.331 4.196 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N(C)C[C@H]2C[C@@H](Br)C2)cc1Br 2196915587 ZTIMQOCAQSKQBL-AOOOYVTPSA-N 490.055 4.314 50 10 JIGE Cc1cc(C(=O)N2CC[C@H](C(F)(F)CBr)C2)ccc1I 2207104759 VRQXEIVNDAJCHN-NSHDSACASA-N 458.084 4.092 50 10 JIGE Cc1cc(C(=O)N(C)[C@H](CCBr)C(F)(F)F)ccc1I 2207112269 XLESWXATWNHRFD-LLVKDONJSA-N 464.063 4.388 50 10 JIGE CCOc1ccc(C=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2)cc1OC 2295489490 RVACTQYNKHLDAF-UHFFFAOYSA-N 486.572 4.081 50 10 JIGE C=CCNC(=O)C(C#N)=C1S[C@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(OCC)cc1 2314593290 KXAUPPNXKWOOCE-OAQYLSRUSA-N 467.978 4.467 50 10 JIGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@@H]1CCS1(=O)=O 2317424076 SKZVMBODDHDCTQ-IONNQARKSA-N 464.976 4.282 50 10 JIGE CC(C)(C)OC(=O)N1C[C@H](I)[C@@H](O[C@H]2CCCCC23CCOCC3)C1 2319694027 UVYVWRCTERBSNH-JYJNAYRXSA-N 465.372 4.165 50 10 JIGE COc1ccc(C=NNC(=O)CCc2nc3ccccc3[nH]c2=O)cc1OCc1ccccc1Cl 2321685145 KKVSFEDBWXJZFS-UHFFFAOYSA-N 490.947 4.247 50 10 JIGE O=C(N[C@@H]1C[C@@H]2C[C@H]1C[C@@H]2Cl)c1cc(Br)ccc1I 2330913458 GWADOIUQLUODIK-NIUIZCCNSA-N 454.533 4.189 50 10 JIGE Cc1ccc(Br)cc1C(=O)NCC(F)(F)C(F)(F)CI 2361678507 ATMSZIBDPSLWFK-UHFFFAOYSA-N 468.026 4.193 50 10 JIGE Cc1scc(CN(C)S(=O)(=O)CCC(F)(F)CBr)c1Br 2369644406 FQISQOYECHGTET-UHFFFAOYSA-N 455.184 4.001 50 10 JIGE CC(C)[C@H]1C[C@H](Br)CN1S(=O)(=O)c1cc(Br)ccc1Br 2370736681 JYEMIDWARTVTFE-CMPLNLGQSA-N 490.055 4.394 50 10 JIGE CCn1nc(Br)c(CC(CBr)(CBr)c2ccccc2)n1 2379954019 HANRESWZDZTUCM-UHFFFAOYSA-N 466.015 4.331 50 10 JIGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)Cn2ccc3ccccc32)c(Br)c1 14832366 IPPAIBMRCGYGAD-OAHLLOKOSA-N 458.356 4.144 50 10 JIGE CCOc1cc(/C=N/NC(=O)Cc2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 33959213 RJGSYXVCFXABQO-OGLMXYFKSA-N 492.528 4.023 50 10 JIGE O=C(NNc1ncnc(NC(c2ccccc2)c2ccccc2)c1[N+](=O)[O-])c1ccc(F)cc1 40650602 CSTXAOQJXRTQGJ-UHFFFAOYSA-N 458.453 4.482 50 10 JIGE Cc1occc1C(=O)N/N=C1\CCCc2oc(C(=O)N3CCN(c4ccccc4F)CC3)c(C)c21 40823389 CGAHEEAPNXDRON-VFCFBJKWSA-N 478.524 4.061 50 10 JIGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCC#N)c(OCC)c2)cc1 58894934 PEDWRFUSDWHZIY-YIRYVTQCSA-N 459.930 4.004 50 10 JIGE CCOc1ccc(O[C@H](C)C(=O)NNC(=O)/C=C\c2ccc(Cl)c(C(F)(F)F)c2)cc1 212763312 UNZVQLOPWNQXCE-ZRVMKQEGSA-N 456.848 4.386 50 10 JIGE O=C(O)COc1ccccc1C=NNC(=O)Cc1csc(Nc2cccc(C(F)(F)F)c2)n1 254791716 TZYCJQGYAOUYGY-UHFFFAOYSA-N 478.452 4.062 50 10 JIGE O=C(OCc1ccccc1)N1C[C@H](c2ccc(O)cc2F)[C@@H](CI)C1 382725666 PZUIDBCZZIIBED-YOEHRIQHSA-N 455.267 4.319 50 10 JIGE FC(F)(F)Oc1cc(I)c(CBr)nc1Br 396190345 ZXQLLBBWUUKEQC-UHFFFAOYSA-N 460.813 4.242 50 10 JIGE C[C@H]1CN(C(=O)c2cc(Cl)ccc2I)C[C@@]1(C)CBr 694707569 LBQYZRCMXGHHLM-LKFCYVNXSA-N 456.549 4.438 50 10 JIGE O=C(NCC1(CCBr)CC1)c1ccc(I)c(Br)c1 721612214 HYUFZECONHJUEO-UHFFFAOYSA-N 486.973 4.349 50 10 JIGE COCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)c1C 726536935 JEHGCQJNIBRHKL-ZWAQGKOVSA-N 477.540 4.254 50 10 JIGE COc1cc(OC)cc(C(=O)NNC(=O)[C@@H](Oc2ccc(F)c(Cl)c2)c2ccccc2)c1 730469198 IGKGKNNUXXNHHT-NRFANRHFSA-N 458.873 4.078 50 10 JIGE N#CCCn1cc(/C=C(\C#N)C(=O)N2CCN(C(=O)CCC3CCCC3)CC2)c(-c2ccccc2)n1 914471529 HKOZFNKNNKJIQZ-LYBHJNIJSA-N 484.604 4.012 50 10 JIGE CCOc1ccc(N(CC(=O)NN=C(C)c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084169786 HQDHWIMAUYBDOV-UHFFFAOYSA-N 485.993 4.474 50 10 JIGE CCCCOc1ccc(C=NNC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1 1084385165 AHHGDJDIRKPNFG-UHFFFAOYSA-N 465.575 4.455 50 10 JIGE C#C[C@@H](NC(=O)NNc1c(F)cc(F)cc1Br)c1ccc(Br)cc1 1252457752 DIVYKQXWKVDGAE-CQSZACIVSA-N 459.088 4.490 50 10 JIGE CC(=O)N1CCN(C(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)[C@H](C)C1 1543903033 OPQOCTMYCZWGQP-IWEBCOIVSA-N 458.484 4.099 50 10 JIGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2cc(Cl)ccc2OCC2CCC2)cc1 1668856785 PLJHFACTRIDZBP-OAHLLOKOSA-N 459.930 4.342 50 10 JIGE Cc1c(C(=O)Nc2cccnc2)oc2c1C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772744117 UGSBKFZQLSJKHF-UHFFFAOYSA-N 467.323 4.468 50 10 JIGE CC(=O)CN1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(C)cc3)n2)CC1 1868320181 FAXODLGWXILCNX-UHFFFAOYSA-N 458.591 4.480 50 10 JIGE C[C@H]1[C@@H](Br)CCN1C(=O)c1cc(Br)ccc1I 1914448766 MPQOVIGLTUOGBP-XVKPBYJWSA-N 472.946 4.052 50 10 JIGE COc1ccc(Br)c(CNCCSSCCNC(=O)OC(C)(C)C)c1 2061264101 LRCQNKKSGXSKNR-UHFFFAOYSA-N 451.452 4.453 50 10 JIGE Brc1ccc(CN2C[C@H]3COC[C@@H](C2)C3Br)c(Br)c1 2111473079 CCAQLAFCZUMHGY-BVUQATHDSA-N 454.000 4.053 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@@H](Br)C2(CCC2)C1 2142285661 SIKNHLIELGQJRP-GFCCVEGCSA-N 498.984 4.443 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@@H]2CC[C@H](C1)C2Cl 2142289372 YUTGFMOZNFIXKI-PHXKMMTBSA-N 454.533 4.143 50 10 JIGE CN([C@H]1CCCC1(F)F)S(=O)(=O)c1cc(CBr)sc1Br 2179795796 WKGPFZSIHFNYGU-VIFPVBQESA-N 453.168 4.214 50 10 JIGE CCCn1cc(S(=O)(=O)N(Cc2ccccc2)C[C@@H]2CCCO2)cc1CBr 2179858406 OGMLQVNLKNVSED-IBGZPJMESA-N 455.418 4.163 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1C[C@H]2CC[C@@]2(CBr)C1 2268355079 XXXCNNSHBMFUHY-QMTHXVAHSA-N 454.533 4.192 50 10 JIGE C[C@H]1CN(C(=O)c2c(F)cccc2I)CC[C@@H]1CCBr 2282794078 GVWLQVAWMNGJDX-QWRGUYRKSA-N 454.121 4.314 50 10 JIGE Cc1ncc2nc(CCl)n(-c3ccc(Br)cc3I)c2n1 2286641687 ZEMMJFYOCMBCLT-UHFFFAOYSA-N 463.504 4.230 50 10 JIGE N#CC(=Cc1cc(Cl)cc(Cl)c1OCc1ccccc1)c1nn(CCO)c(N)c1C#N 2296738323 FEDISYDPCFXLTN-UHFFFAOYSA-N 454.317 4.279 50 10 JIGE CO[C@@H]1C[C@H](CBr)N(Cc2ccc(I)c(Br)c2)C1 2325213738 VNFNWEHZCKZJRL-GHMZBOCLSA-N 488.989 4.038 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1C[C@H]2CC[C@H]1[C@@H](Br)C2 2349948481 OJJHPKQCODQPNG-QWRKXWFKSA-N 454.533 4.333 50 10 JIGE C=C[C@@]1(CBr)COCCN1Cc1cc(I)ccc1Cl 2352431903 MKWOIDIAYVJWSV-CQSZACIVSA-N 456.549 4.097 50 10 JIGE Cc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2C(C)C)cc1Br 9231624 JDTALLAOLZRREL-UHFFFAOYSA-N 484.188 4.483 50 10 JIGE CC(C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1sc2ccccc2c1Cl 13980096 JKBPOIQTVDOUQE-UHFFFAOYSA-N 461.996 4.393 50 10 JIGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)c2ccc(NC(=O)C(C)C)cc2)c(Br)c1 14832327 YFLBTVBAPUDVCM-HNNXBMFYSA-N 490.398 4.397 50 10 JIGE Cc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc([N+](=O)[O-])c1 38653571 MADXMIBQTMOVBG-DEOSSOPVSA-N 457.442 4.106 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2CCC[C@H]2CBr)cc1Br 158638517 UFFLFIGCWYLSLF-VIFPVBQESA-N 476.028 4.068 50 10 JIGE CCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)cc1 206309128 NOOJFTIYSBNJGN-HKWRFOASSA-N 491.573 4.229 50 10 JIGE C=CCc1cccc(C=NNC(=O)[C@H](C)Sc2nnc(CNc3cccc(Cl)c3)n2C)c1O 252629104 TYOHDCWGUUVZSF-HNNXBMFYSA-N 485.013 4.146 50 10 JIGE Cc1ccc(C(C)C)c(OCC(=O)NN=CC=NNC(=O)COc2cc(C)ccc2C(C)C)c1 254291390 XWQANIWIJSVLLQ-UHFFFAOYSA-N 466.582 4.212 50 10 JIGE CC(=NNC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)c1ccccc1O 254385390 KIUIBXPHZHITMO-UHFFFAOYSA-N 491.491 4.147 50 10 JIGE Cc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(O)cc3O)n2-c2ccc(C)cc2)cc1 254745195 BIZOUZSDMKKODG-UHFFFAOYSA-N 473.558 4.205 50 10 JIGE COc1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)cc1O 382703867 QULVRTHVZCNXHZ-IRXDYDNUSA-N 467.303 4.188 50 10 JIGE CC[C@@H](NC(=O)c1cc(I)ccc1Br)[C@@H](C)Br 386644384 ANKICQUBCNYIDP-RDDDGLTNSA-N 474.962 4.346 50 10 JIGE O=S1(=O)CCC(C(CBr)(CBr)c2ccc(Br)cc2)CC1 689931045 PKVOOULXXVVAAG-UHFFFAOYSA-N 489.067 4.302 50 10 JIGE COCCOc1ccc(NC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)cn1 914845265 GSOMFIJVZFTIKX-QGOAFFKASA-N 476.924 4.083 50 10 JIGE COc1cc([N+](=O)[O-])ccc1-n1nc(C)c(C=NNC(=O)[C@H](C)SCc2ccccc2)c1C 1084180735 FSMWBJXWIFZNMI-KRWDZBQOSA-N 467.551 4.178 50 10 JIGE N#CCCn1cc(/C=C(\C#N)C(=O)NNC(=O)c2ccccc2Cl)c(-c2ccc(Cl)cc2)n1 1317814820 FYQFMIVDAKYWIH-FOWTUZBSSA-N 479.327 4.139 50 10 JIGE CCOC(=O)c1c(NC(=O)NN=Cc2ccc(Cl)c([N+](=O)[O-])c2)sc(C(C)=O)c1C 1772752468 RRIZNZFGMMQQHP-UHFFFAOYSA-N 452.876 4.153 50 10 JIGE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@@H]2c1cc(Br)ccc1O 1865697095 WZMFMSZKADOYAP-SFHVURJKSA-N 467.323 4.265 50 10 JIGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@H](c2ccccn2)C(C#N)=C(N)O3)cc1 1865700501 VRPZSSZIERREQV-QFIPXVFZSA-N 453.477 4.359 50 10 JIGE CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@H](n3ccc(O)nc3=O)C[C@@H]2O[Si](C(C)C)(C(C)C)O1 2053528543 PEDMJTBGYAMVDO-BJLQDIEVSA-N 470.715 4.193 50 10 JIGE CN(C(=O)c1ccc(Br)cc1I)C1CC(CBr)C1 2086144989 HLIJKFZOVGAMHW-UHFFFAOYSA-N 486.973 4.299 50 10 JIGE O=C(N[C@@H](CCCl)C(F)F)c1ccc(Br)cc1I 2086147391 MSVBYEZOQRPMIJ-VIFPVBQESA-N 452.464 4.046 50 10 JIGE CN(C1CCC(Br)CC1)S(=O)(=O)c1cc(Cl)c(Br)s1 2103909168 LHZLKRWUSWVDCW-UHFFFAOYSA-N 451.633 4.491 50 10 JIGE C[C@H]1CN(S(=O)(=O)c2ccc(CBr)cc2)C[C@H](C)N1C(=O)OCc1ccccc1 2106779426 OBDUIWBSJPLHSQ-IRXDYDNUSA-N 481.412 4.002 50 10 JIGE O=C(N[C@@H]1CC[C@H]2C[C@]21CBr)c1cc(Br)ccc1I 2132115722 LWCTWJLLFYOBFJ-PELMWDNLSA-N 498.984 4.347 50 10 JIGE C[C@@H](Cl)c1nc2cc(I)ccc2n1-c1c(Br)cnn1C 2155770922 LCSVBAQJHNVOHM-SSDOTTSWSA-N 465.520 4.426 50 10 JIGE CC[C@H]1CN(S(=O)(=O)c2cc(CBr)ccc2F)CCN1Cc1ccccc1 2179784794 DQCFUYHBSDZUBZ-SFHVURJKSA-N 455.393 4.006 50 10 JIGE CC[C@H]1CN(S(=O)(=O)c2c(C)oc(C)c2CBr)CCN1Cc1ccccc1 2179788261 ACBPDOKYGFIODH-SFHVURJKSA-N 455.418 4.076 50 10 JIGE CN(C[C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(Cl)c(CBr)c1 2179795476 SEBPAGKRHGEUOX-KRWDZBQOSA-N 471.848 4.378 50 10 JIGE C[C@@H]1SCCC[C@H]1N(C)S(=O)(=O)c1cc(CBr)sc1Br 2197290386 HTFNFDFQTKYDEQ-WCBMZHEXSA-N 463.282 4.310 50 10 JIGE C[C@@]1(CBr)COCCN(C(=O)c2c(Br)cccc2Br)C1 2199825187 MMDKKOJBAIQBBJ-AWEZNQCLSA-N 469.999 4.085 50 10 JIGE CN(Cc1ccc(I)cc1)S(=O)(=O)c1csc(CBr)c1 2280260820 GEDZFOHKSRVARA-UHFFFAOYSA-N 486.194 4.068 50 10 JIGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OC 2313567571 MAEAHMCUDXUBBI-UHFFFAOYSA-N 470.367 4.112 50 10 JIGE COC(=O)C(C#N)=Cc1ccc(OC(=O)COc2c(C)cc(Br)cc2C)c(OC)c1 2314734530 CNNWRBJEEPUUNA-UHFFFAOYSA-N 474.307 4.139 50 10 JIGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)[C@H](C)Oc1cccc(OC)c1 2314771200 ZYTLLVUBECOTLM-SFHVURJKSA-N 490.512 4.283 50 10 JIGE COCCO[C@@H]1[C@H](Br)C[C@H]1Oc1cc(Br)cc(Br)c1 2338759219 WGKCCZVGKPFUOW-JHJVBQTASA-N 458.972 4.158 50 10 JIGE C[C@@H](Br)CCc1cn(Cc2cc(I)ccc2Cl)nn1 2352348874 XZPXOVWRPLRDCZ-SECBINFHSA-N 454.537 4.300 50 10 JIGE Cn1nc(Br)c(Br)c1C(=O)N1CCCC[C@@H]1CCCBr 2364228952 SZTAISRJHFSPOH-SECBINFHSA-N 472.019 4.115 50 10 JIGE Cc1c(CBr)ccc(NS(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)c1C 2367944077 VOOQPIBFGNAUTA-UHFFFAOYSA-N 493.423 4.262 50 10 JIGE CC(C)CCOc1ccc(Br)cc1C(=O)NNC(=O)Cn1ccc2ccccc21 14776312 MMZWXXOEBSQFHB-UHFFFAOYSA-N 458.356 4.290 50 10 JIGE N#CC1=C(N)Oc2cc(OC(=O)[C@@H]3COc4ccccc4O3)ccc2[C@@H]1c1ccc(Cl)cc1 38687763 DMFFKFLLMKLXBD-GOTSBHOMSA-N 460.873 4.304 50 10 JIGE CCOc1ccc(C=NNC(=O)CSc2nnc(SCc3ccccc3)s2)cc1OC 263629849 QEAYDZPIRWMJDV-UHFFFAOYSA-N 474.633 4.480 50 10 JIGE N#CCCn1cc(/C=C(\C#N)C(=O)N2CCc3c(cnn3-c3ccccc3)C2)c(-c2ccccc2)n1 918575564 CRUOGXSTYOPBPA-CJLVFECKSA-N 473.540 4.141 50 10 JIGE Cc1ccccc1CN1CCC(NC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)CC1 918601943 GSTBUCXVQIWXDP-XIEYBQDHSA-N 478.600 4.460 50 10 JIGE Cc1ccc(COc2ccc(C=NNC(=O)CN(c3ccccc3Cl)S(C)(=O)=O)cc2)cc1 1084383856 XQUGIHQTFYUAKQ-UHFFFAOYSA-N 485.993 4.144 50 10 JIGE COC(=O)c1ccc(Cl)c(-n2c(C)cc(C=NNC(=O)CC[C@H](O)c3ccccc3)c2C)c1 1084438323 OBPOJWOOBBSGJA-QHCPKHFHSA-N 467.953 4.498 50 10 JIGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2cccc(-c3ccc4c(c3)CCO4)c2)cc1 1216212676 IRHXRTZOURHWCI-KRWDZBQOSA-N 459.502 4.111 50 10 JIGE Cc1c(C(=O)Nc2ccccc2F)oc2c1C(=NNC(=O)c1cccc([N+](=O)[O-])c1)CCC2 1772745762 GQAIGKABDLWFDG-UHFFFAOYSA-N 450.426 4.358 50 10 JIGE O=C(NNc1ccc(OCCOc2cccc(Cl)c2)cc1)C1CCN(C(=O)C(F)(F)F)CC1 1858080445 DHIOYKIJIUUQRH-UHFFFAOYSA-N 485.890 4.042 50 10 JIGE Cc1ccccc1NC(=O)[C@@H](C)Oc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1F 1858685223 IVCFKKGTDPVHQZ-CQSZACIVSA-N 454.414 4.454 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2Cl)[C@H]1c1ccc(O)cc1O 1865681182 HBHSDSGJZVCGRY-INIZCTEOSA-N 462.815 4.233 50 10 JIGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1cc(OC)c(OC)cc1OC)C(C#N)=C(N)O2 1865710727 GIXUHFHZFXMAJY-QHCPKHFHSA-N 476.533 4.077 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCNCc1ccc(NC(=O)OC(C)(C)C)nc1 1985350686 UQDQHEOGWBTNGJ-UHFFFAOYSA-N 458.650 4.424 50 10 JIGE CCN(C[C@@](C)(CI)OC[C@H](C)N(CC)CC)C(=O)OC(C)(C)C 2007011393 RFEGVXYOVHQSPA-MAUKXSAKSA-N 456.409 4.184 50 10 JIGE COc1cccc(-n2nc(CBr)c(I)c2C(F)(F)F)c1O 2079260951 SEQQPAWXWLYTMC-UHFFFAOYSA-N 477.018 4.105 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CC[C@H]2[C@H](C1)[C@@H]2CBr 2093133208 ALHJIIHTSHUPOL-MXWKQRLJSA-N 498.984 4.157 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@@H]2C[C@H](CCl)[C@@H]2C1 2117681155 KYQHCJXYGZZXQR-PTRXPTGYSA-N 454.533 4.001 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H]2[C@@H](CCl)C[C@H]2C1 2117681342 AQROFUUKXCJUER-OUAUKWLOSA-N 454.533 4.001 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CC[C@@H](Cl)[C@@H]1C1CC1 2130614169 BWVZETDWOYTARE-YPMHNXCESA-N 454.533 4.286 50 10 JIGE O=S(=O)(C[C@H](Br)c1ccc(I)c(Cl)c1)N1CCCCC1 2145634703 BVQAEFMBRKHASL-NSHDSACASA-N 492.604 4.196 50 10 JIGE O=C(NC[C@H]1CCC[C@@H](CBr)C1)c1cc(I)ccc1F 2169665226 VCXSBCZHNPZKQS-MNOVXSKESA-N 454.121 4.361 50 10 JIGE O=S(=O)(CCCOCc1ccccc1)N1CCC(CBr)(CC(F)(F)F)CC1 2188333073 PPDLVEJQRYWYAQ-UHFFFAOYSA-N 472.367 4.353 50 10 JIGE CCN(C[C@@](C)(CI)OCC12CC(C)(CO1)C2)C(=O)OC(C)(C)C 2247387927 SNDPZAOQQLZABN-LXPRWKDFSA-N 453.361 4.023 50 10 JIGE Cc1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)NCCc2ccccc2)c(C)c1 2296721718 FJGSZDORXJCORL-UHFFFAOYSA-N 464.525 4.370 50 10 JIGE BrCC(CBr)(Cc1ncc(I)cn1)C1CCC1 2307623170 HXUSVDUBIOQREX-UHFFFAOYSA-N 473.978 4.200 50 10 JIGE COC(=O)c1c(NC(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)sc(C(C)=CC#N)c1C 2331560318 PNAWSGWLSVWUBL-AWEZNQCLSA-N 487.965 4.424 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CCN(Cc2ccccc2)C2(CC2)C1 2349647571 RDRUPACANPULMA-XMMPIXPASA-N 495.711 4.134 50 10 JIGE CC(C)(C)OC(=O)NC[C@@]1(C(F)(F)F)CCCN1C[C@@]1(CBr)CC1(F)F 2351887935 RZGFMRIOPQRMER-UONOGXRCSA-N 451.274 4.328 50 10 JIGE Cc1ccc(OCC(=O)NNC(=O)c2cccc(OCCOc3ccccc3)c2)c(Br)c1 14040915 CDCOHGXSRSNYGT-UHFFFAOYSA-N 499.361 4.055 50 10 JIGE Cc1cc(S(=O)(=O)NNC(=O)c2ccc(-c3ccc(F)cc3)s2)ccc1Br 15565966 OXEBEURYNWRHGY-UHFFFAOYSA-N 469.357 4.248 50 10 JIGE O=C(CN1CCOCC1)NN=Cc1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1 19890618 UQVPHILVIFVKJA-UHFFFAOYSA-N 456.757 4.008 50 10 JIGE COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C\c2cc(Br)cs2)cc1 27520871 QOQVDBFYVHVUCY-LPPCGVTHSA-N 484.375 4.440 50 10 JIGE COc1ccc(CCN(Cc2ccco2)C(=O)CN(C(=O)C(C)(C)CCl)C2CC2)cc1OC 35764892 IJRYGYPMMXNCBV-UHFFFAOYSA-N 477.001 4.124 50 10 JIGE CCOc1ccccc1Nc1ncnc(NNC(=O)COc2ccc(Cl)cc2Cl)c1N 40795596 XGAOOAPLPIDTLB-UHFFFAOYSA-N 463.325 4.030 50 10 JIGE Cc1c(C(=O)Nc2ccc(F)cc2F)oc2c1/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)CCC2 40813083 GZGLPVPORNKPJV-OVVQPSECSA-N 468.416 4.497 50 10 JIGE O=C(N/N=C/c1ccc[nH]1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 104995707 QNEFUFSKKAFPDD-VNYNQKCPSA-N 455.174 4.204 50 10 JIGE Cn1c2ccccc2c2cc(C(=O)NN=Cc3ccc(-c4ccc(S(N)(=O)=O)cc4)o3)sc21 254615029 NNMZDZQWOSANJJ-UHFFFAOYSA-N 478.555 4.064 50 10 JIGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CCC[C@@H](CBr)CC1 381202692 MUHYLLYTRLBQJE-MRVPVSSYSA-N 451.633 4.350 50 10 JIGE O=C(NC[C@@H]1CCCC[C@@H]1CBr)c1cccc(F)c1I 721674406 ZZAYBCJKXJQCAB-MNOVXSKESA-N 454.121 4.361 50 10 JIGE Cc1cc(C)n(-c2ccc(NC(=O)/C(C#N)=C/c3cn(CCC#N)nc3-c3ccccc3)cn2)n1 915195727 CZOAVQZJMKGZMS-KGENOOAVSA-N 462.517 4.207 50 10 JIGE CC1=C(C(=O)NN=Cc2cccc(Br)c2)[C@@H](c2ccccc2Cl)NC(=S)N1 1084072783 DEGHEYHGAPOHSS-QGZVFWFLSA-N 463.788 4.046 50 10 JIGE O=C(CNc1ccc(I)cc1)NN=Cc1ccc(OCc2ccc(F)cc2)o1 1084073632 KVOREOKCTNIQIC-UHFFFAOYSA-N 493.276 4.165 50 10 JIGE COc1ccc(CCNC(=O)C(=O)NN=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1OC 1084546647 VAERVLVHWRQTFF-UHFFFAOYSA-N 490.343 4.080 50 10 JIGE C#C[C@H](NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(Br)cc2)c1C)[C@@H]1CCCO1 1539109715 NYAGLSWHWVSRCN-PZYLNZHKSA-N 452.352 4.061 50 10 JIGE CCN(CC)c1ccc(/C=N\NC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)cc1 1860772636 CNEVGWBZKXFJAI-DICXZTSXSA-N 459.575 4.122 50 10 JIGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@@H](c2ccccc2O)C(C#N)=C(N)O3)cc1 1865708367 VILFKMLQKXILPQ-QHCPKHFHSA-N 466.497 4.480 50 10 JIGE COc1ccc(-c2nn(CC(C)C)c3c2[C@@H](c2ccc(O)c([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865714526 MLGLXWDMBPWQCY-FQEVSTJZSA-N 461.478 4.047 50 10 JIGE CCc1ccc(-c2ccc(C(=O)NNC(=O)Cc3ccc(Br)s3)c(C)n2)cc1 1865758878 WLYJAUYTHDQKRE-UHFFFAOYSA-N 458.381 4.447 50 10 JIGE N#C/C(=C(/O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1nc(-c2ccc(Cl)cc2)cs1 1872748070 HAVLPKSJVRNFHA-VLGSPTGOSA-N 466.862 4.461 50 10 JIGE C[C@@H](Br)[C@H](NS(=O)(=O)c1cc(Cl)c(Br)s1)C(F)(F)F 1882673079 FECPFXRBRYLILO-CVYQJGLWSA-N 465.538 4.157 50 10 JIGE Br[C@H]1C[C@H]1CNc1cc(I)cc(I)c1 1893168263 SPOBXXSCSDTHQD-WKEGUHRASA-N 477.909 4.091 50 10 JIGE C[C@H](CBr)[C@@H](C)NC(=O)c1ccc(Br)cc1I 2026219554 XDZBOKBRFDOOKC-HTQZYQBOSA-N 474.962 4.203 50 10 JIGE O=S(=O)(c1cc(CBr)ccc1Br)N1CC[C@H](OCc2ccccc2)C1 2059313510 ZKCPSMVZIXZYDO-INIZCTEOSA-N 489.229 4.324 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CCC[C@H](CBr)C1 2086149105 JSZZOALCFGVTNJ-SECBINFHSA-N 486.973 4.301 50 10 JIGE O=S(=O)(c1ccc(CCl)c(Br)c1)N1CC[C@H](COCc2ccccc2)C1 2088578115 ZNZBQOGALPWVQJ-INIZCTEOSA-N 458.805 4.415 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CC[C@@H](Br)C2(CC2)C1 2093177595 YYHMPGKSLBTVDC-GFCCVEGCSA-N 498.984 4.443 50 10 JIGE CC1(CC(CBr)(CBr)c2ccccc2Br)CS(=O)(=O)C1 2153385843 IVARYZVGRVCRMM-UHFFFAOYSA-N 489.067 4.302 50 10 JIGE O=S(=O)(c1cc(CCl)sc1Br)N1CC[C@H]2CN(Cc3ccccc3)C[C@H]2C1 2168747798 OKORBIGZFGZLBN-HOTGVXAUSA-N 489.888 4.392 50 10 JIGE O=S(=O)(c1cc(CBr)ccc1F)N1CC2(CC(OCc3ccccc3)C2)C1 2179781588 XWYBSSFMZWVFKY-UHFFFAOYSA-N 454.361 4.091 50 10 JIGE CC(C)(C)OC(=O)N1C[C@H](I)[C@@H](OCCCC(F)(F)C(F)(F)F)C1 2217219652 LOTBLGRAXBIVEE-UWVGGRQHSA-N 473.220 4.404 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@H](F)C[C@@H](Br)C1 2219185307 VWIMQRHFWQXSJL-HTQZYQBOSA-N 490.936 4.001 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1C[C@H]2CC[C@@]1(CBr)C2 2268346565 PFCVPBVLSSPQGY-XPTSAGLGSA-N 454.533 4.334 50 10 JIGE COc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1O 2297324665 KHDJNBKFORFENI-UHFFFAOYSA-N 454.651 4.204 50 10 JIGE COC(=O)c1cccc(-n2c(C)cc(C=C(C#N)C(=O)N3CCN(c4ccccc4)CC3)c2C)c1C 2297333453 WLZZVGLTBWOMTG-UHFFFAOYSA-N 482.584 4.445 50 10 JIGE COc1cc(C=C(C#N)C(=O)N[C@H]2CCCO2)cc(Br)c1OCc1ccccc1 2297534038 JMGXVYISDLUKHD-HXUWFJFHSA-N 457.324 4.196 50 10 JIGE CC(C)[C@H](CI)NC(=O)c1ccc(Cl)cc1I 2301792147 LTKHKWVDQARJKS-NSHDSACASA-N 477.511 4.134 50 10 JIGE N#CC(=Cc1cc(Br)cc(Br)c1O)C(=O)N1CCN(c2ccccc2)CC1 2313565316 MLUMUGDKIOCVKS-UHFFFAOYSA-N 491.183 4.173 50 10 JIGE CCCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)C=Cc2cccc3ccccc23)cc1 2313653120 RLIBWYUENAERMB-UHFFFAOYSA-N 474.586 4.317 50 10 JIGE Cc1ccc(-c2csc3ncn(CC(=O)NN=Cc4ccc(Br)cc4F)c(=O)c23)cc1 2325904702 FFHOUDXBWBGTIF-UHFFFAOYSA-N 499.365 4.485 50 10 JIGE CC(C)(CI)CN1CCOc2ccc(CNC(=O)OC(C)(C)C)cc21 2326667115 OYHUGGPAAYMDKA-UHFFFAOYSA-N 460.356 4.371 50 10 JIGE COc1c(Br)cc(C)c([C@H](Br)[C@@H]2CCS2(=O)=O)c1Br 2339690629 KBTQTSCBTGVSTC-WCBMZHEXSA-N 477.012 4.152 50 10 JIGE O=C(NCC1(F)CC(CBr)C1)c1ccc(Cl)cc1I 2340069193 WKVBPGDSMLEITA-UHFFFAOYSA-N 460.512 4.188 50 10 JIGE CO[C@]1(C(F)F)C[C@H](CO[C@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)C1 2343096564 AVMHFNDSYGNGOT-DOPJRALCSA-N 489.341 4.268 50 10 JIGE CC(C)(C)OC(=O)N1CCN(C[C@@]2(CBr)CC2(F)F)C[C@@H]1CC(F)(F)F 2351890349 KAQUMYLAWCACFJ-FZMZJTMJSA-N 451.274 4.280 50 10 JIGE COC[C@]1(CBr)C=CCN1C(=O)c1cc(Br)cc(Br)c1 2379852110 RRHZQAIFDFZNCG-CQSZACIVSA-N 467.983 4.004 50 10 JIGE Cc1ccc(NC(=O)CCC(=O)NNC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)cc1C 14038684 COHBRCCIJXDAIT-FQEVSTJZSA-N 459.546 4.304 50 10 JIGE CNC(=O)/C(C#N)=C1/S[C@@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(Br)cc1 33389445 UYEWCMYZOMRMIS-BJMRFWQKSA-N 476.783 4.275 50 10 JIGE CCOc1cc(/C=N/NC(=O)COc2ccccc2C)ccc1OC(=O)c1ccc(OC)c(OC)c1 33959185 ZVYZRSDVQTZBFI-LQKURTRISA-N 492.528 4.159 50 10 JIGE CCOc1cc(/C=C2\C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 214424850 BRSOFTLWBZSWOU-UCQKPKSFSA-N 488.540 4.128 50 10 JIGE COCCO[C@@H]1[C@@H](Br)C[C@H]1Oc1ccc(Br)cc1Br 300481249 VHFTXWHJSHHONO-CYZMBNFOSA-N 458.972 4.158 50 10 JIGE C[C@H]1[C@H](I)[C@@H](CI)C[C@@H](C)N1C(=O)OC(C)(C)C 307741291 QDDMOKLJARGSHX-YTWAJWBKSA-N 479.140 4.259 50 10 JIGE Cn1ncc(Br)c1[C@H](Br)c1cc(I)cc2c1OCC2 710306398 ZJTSVMPBJWVPPC-LLVKDONJSA-N 497.956 4.206 50 10 JIGE COc1cc(C[C@H](Cl)c2ccc(I)c(Br)c2)ncn1 721576808 ITYBSJOHNMBUSX-NSHDSACASA-N 453.505 4.375 50 10 JIGE CCc1ccccc1NC(=O)COC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1 761414049 CSKUMFJUGDNJTJ-QNGOZBTKSA-N 453.502 4.115 50 10 JIGE CC(C)C(=O)NNC(=O)[C@H](C)Sc1n[nH]c(NN=Cc2ccc3ccc4cccc5ccc2c3c45)n1 1084444557 YBRDNQNSBJSSRE-HNNXBMFYSA-N 499.600 4.432 50 10 JIGE C=C(C)[C@@H](NC(=O)CCC(=O)C(C#N)=C1N(C)c2ccccc2N1C)c1ccc(F)c(F)c1 1296650354 ADFUBDNJFQIIAP-XMMPIXPASA-N 450.489 4.369 50 10 JIGE C=C(C)CN(C)C(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(OC(F)F)c(OC)c1 1640872131 RIOAAEKCJCDAQH-LICLKQGHSA-N 455.465 4.015 50 10 JIGE Cc1cc(O[C@H](C)C(=O)NN=Cc2cc(Br)cc([N+](=O)[O-])c2O)cc(C)c1Cl 1772752484 FQIAYHWHCGSKSF-LLVKDONJSA-N 470.707 4.251 50 10 JIGE CCc1cccc(C)c1N1C[C@H](C(=O)NNC(=O)c2ccc(-c3ccc(F)c(F)c3)nc2C)CC1=O 1865757020 JSNGFRRGIDZHSJ-LJQANCHMSA-N 492.526 4.020 50 10 JIGE O=C(c1cc(Br)cc(Br)c1)N1C[C@@H]2CC[C@@]2(CBr)C1 1903985002 UOXZPSUKCSKOGC-IINYFYTJSA-N 451.984 4.459 50 10 JIGE CC(C)(C)OC(=O)N1C[C@H](Br)[C@H](OCc2ccc(F)cc2Br)C1 1994982612 ZKNZPISQXSIDKB-UONOGXRCSA-N 453.146 4.488 50 10 JIGE O=C(N[C@H]1C[C@H](CCBr)C1)c1ccc(Br)cc1I 2086147048 IMZIDYGSXVWFSZ-CZMCAQCFSA-N 486.973 4.347 50 10 JIGE O=C(N[C@@H]1C[C@H](CBr)[C@H]2C[C@@H]21)c1cc(Br)ccc1I 2110549051 LEUOQXAPKXVTBC-SQFXPHBZSA-N 498.984 4.203 50 10 JIGE Cc1sc(C)c(S(=O)(=O)N2CCSC[C@H]2CCBr)c1Br 2143913528 GXPGJTKDDHSQNU-SNVBAGLBSA-N 463.282 4.019 50 10 JIGE CC(C)(C)OC(=O)NC1(CNS(=O)(=O)c2ccc(CBr)cc2)CCCCC1 2162591019 HJUUWCWJZLTGPU-UHFFFAOYSA-N 461.422 4.087 50 10 JIGE CC(C)(C)OC(=O)N[C@H]1CCCCCN(S(=O)(=O)c2ccc(CBr)cc2)C1 2163059301 RYTCZKCIKWICIR-INIZCTEOSA-N 461.422 4.040 50 10 JIGE O=C(c1cccc(F)c1I)N1[C@H](CBr)C[C@H]2CCC[C@H]21 2164661502 GCBKCHXHHRFXRX-GBIKHYSHSA-N 452.105 4.208 50 10 JIGE C[C@H]1CN(Cc2ccccc2)C[C@H](C)N(S(=O)(=O)c2ccccc2CBr)C1 2179809038 PHWTVAQEXFEGBH-ROUUACIJSA-N 451.430 4.113 50 10 JIGE Cc1cc(CBr)cc(S(=O)(=O)N2CCSSCC2)c1Br 2179829796 FBULRWIYGPCXTR-UHFFFAOYSA-N 461.266 4.038 50 10 JIGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CC[C@H](CBr)C12CCC2 2190353984 MIKRYIMKOXFHQQ-MRVPVSSYSA-N 463.644 4.492 50 10 JIGE COCCNCc1cc(Br)c(OC[C@@H]2C[C@@H]2Br)c(Br)c1 2196906905 KVDNJRDXPHOXIH-QWRGUYRKSA-N 472.015 4.110 50 10 JIGE CC[C@@H](C)[C@@H](CI)NC(=O)c1cc(C)ccc1I 2224023796 YGKFIUSOZDNXRD-ZWNOBZJWSA-N 471.120 4.179 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2CC=C[C@]2(C)CBr)cc1Br 2237161133 VSAOWZVMCFYFAF-CYBMUJFWSA-N 488.039 4.234 50 10 JIGE Cc1cc(C(=O)N2C[C@H](CCBr)C(C)(C)C2)ccc1I 2238467729 IQHDCMHLQMZHLU-ZDUSSCGKSA-N 450.158 4.483 50 10 JIGE COCCN(C[C@H](C)Br)C(=O)c1cc(Br)cc(Br)c1 2272437882 SKACUQRHVAEFNU-VIFPVBQESA-N 457.988 4.084 50 10 JIGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)C=Cc2ccc(OC)c(OC)c2)c(OC)c1 2314776915 AYHDBHSNPVNFND-UHFFFAOYSA-N 464.518 4.154 50 10 JIGE Cc1cc(I)ccc1NC(=O)C(C#N)=CNCc1cccc(Br)c1 2325412011 OCGFGAOFFQYJNY-UHFFFAOYSA-N 496.146 4.498 50 10 JIGE Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)C(C#N)=Cc3ccc(Cl)cc3)cc2)n1 2329651489 WEELQJLWMCTBCM-UHFFFAOYSA-N 467.938 4.093 50 10 JIGE Clc1ccc(CN2CC3(CC[C@@H](CBr)O3)C2)cc1I 2337222491 AEHBOWWLVABMRU-NSHDSACASA-N 456.549 4.073 50 10 JIGE COc1ccc(CCCCO[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2I)cc1 2344004541 VRXADNKYAHUMOW-MSOLQXFVSA-N 475.367 4.457 50 10 JIGE Cn1nc(Br)c(Br)c1C(=O)N[C@H](CCBr)C1CCCC1 2364229255 XHCQYDZGLMCJLK-SECBINFHSA-N 472.019 4.019 50 10 JIGE CCOC(=O)c1nn(-c2ccc(Br)cc2)c(=O)c2c(NC(=O)CCCCl)scc12 10248089 SBBDGFZXQYELKN-UHFFFAOYSA-N 498.786 4.344 50 10 JIGE COc1ccc(Oc2ncnc(NNC(=O)COc3ccc(Cl)cc3Cl)c2[N+](=O)[O-])cc1 40659576 RUANITLMLIEFRF-UHFFFAOYSA-N 480.264 4.015 50 10 JIGE COc1cccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cncc(Br)c2)CCC3)c1 40822961 CFDZHSHHHHPVLS-OVVQPSECSA-N 497.349 4.477 50 10 JIGE CC1(C)[C@H]2CC[C@@]1(C(=O)NNC(=O)c1ccccc1Br)c1nc3ccccc3nc12 101105458 WRKNOLDUEMMUGW-PSLXWICFSA-N 465.351 4.009 50 10 JIGE CCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc3c(c2)C[C@H](C)O3)C1=O 214209963 AGJXPYNSBCSZEM-PGECNJAHSA-N 464.525 4.475 50 10 JIGE N#C/C(=C/N1CCN(Cc2ccc3c(c2)OCO3)CC1)C(=O)Nc1ccc(Oc2ccccc2)cc1 217212107 VHNFXJLSWZVYEM-QOCHGBHMSA-N 482.540 4.371 50 10 JIGE O=C(CSC1c2ccccc2-c2ccccc21)NN=Cc1cc([N+](=O)[O-])ccc1N1CCOCC1 254445193 QGCQCRAPHAQLSX-UHFFFAOYSA-N 488.569 4.385 50 10 JIGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(F)cc3)n2-c2ccccc2)cc1 254526648 CFQOTTXZSZJYJZ-UHFFFAOYSA-N 461.522 4.324 50 10 JIGE COc1ccc(C[C@@H](NC(=O)NNC(=O)c2ccc(Cl)cc2)c2ccccc2)cc1OC 727604682 DHUSNRSBODDHAQ-HXUWFJFHSA-N 453.926 4.285 50 10 JIGE N#CCCn1cc(/C=C(/C#N)C(=O)OCC(=O)N2CCC[C@@H]3CCCC[C@@H]32)c(-c2ccccc2)n1 748916119 FQYUOKOZDAEXRC-YLPIDXTBSA-N 471.561 4.095 50 10 JIGE C=C(C)CN1CCC(NC(=O)NNC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)CC1 1311892477 VJVSZKJKYSXGFI-UHFFFAOYSA-N 457.578 4.195 50 10 JIGE C=C[C@@H]1OCC[C@H]1C(=O)NNc1c(Br)cc(Br)cc1Br 1532497106 ARKWBARNSMAAAQ-KCJUWKMLSA-N 468.971 4.008 50 10 JIGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2cc(F)ccc2Oc2ccccc2)cc1 1623035355 XFXAZFSBJVDSFJ-INIZCTEOSA-N 451.454 4.441 50 10 JIGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)cc(Br)c1O 1865688515 UGLWWNVXAXNZSK-LJQANCHMSA-N 467.323 4.266 50 10 JIGE CCc1nn(Cc2ccccc2F)c2c1[C@@H](c1cc(Cl)c(O)c(OC)c1)C(C#N)=C(N)O2 1865707184 QDYMFZDBIZXALC-IBGZPJMESA-N 454.889 4.219 50 10 JIGE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1cc(OC)c(OC)cc1OC)C(C#N)=C(N)O2 1865712092 PJHPDRBYYITGBH-NRFANRHFSA-N 466.925 4.332 50 10 JIGE CCCC(CBr)(CBr)Cc1nn(C)cc1I 1902322385 XCYGWQSVHGBDBJ-UHFFFAOYSA-N 463.983 4.144 50 10 JIGE O=C(Nc1ccc(I)c(Br)c1)[C@H]1C[C@@H](Br)C1 1991419404 GMWXPYATQNFSQK-KNVOCYPGSA-N 458.919 4.166 50 10 JIGE CN1C(=C(C#N)C(=O)CSc2nnc(-c3ccc4c(c3)OCO4)o2)Sc2ccccc21 2040463902 RIRCGIQIRHPXFN-UHFFFAOYSA-N 450.501 4.104 50 10 JIGE O=C(CBr)c1c(I)cc(Cl)cc1I 2060092654 DFYUSUHJAUJYMZ-UHFFFAOYSA-N 485.284 4.127 50 10 JIGE COc1ccc(Cn2nc(CCl)c(I)c2C(F)(F)F)cc1OC 2079211847 CDMFTPIJCIKBBC-UHFFFAOYSA-N 460.621 4.311 50 10 JIGE CCN1CC[C@@H]([C@H](Br)c2ccc(Br)cc2Br)S1(=O)=O 2089525085 YJEZJNHMWYOAEH-NWDGAFQWSA-N 476.028 4.072 50 10 JIGE O=C(c1c(Br)cccc1Br)N1C[C@H]2[C@@H](Br)CC[C@H]2C1 2094095670 OQARVWIASPOVDG-AEJSXWLSSA-N 451.984 4.457 50 10 JIGE CC[C@H](Br)CN(C1CC1)S(=O)(=O)c1cc(Cl)c(Br)s1 2107420394 BMACNWWRCKXQAE-ZETCQYMHSA-N 451.633 4.491 50 10 JIGE CN(C[C@H]1CCCCN1Cc1ccccc1)S(=O)(=O)c1ccsc1CBr 2123285139 VJKBJLKMPWPRON-QGZVFWFLSA-N 457.459 4.318 50 10 JIGE O=C(N[C@H]1CCCC[C@@H]1CCBr)c1cc(I)ccc1O 2146718691 JLMQXJAQMFHIGC-MFKMUULPSA-N 452.130 4.070 50 10 JIGE O=C(NC1(C(F)(F)F)CCC(Br)CC1)c1cc(I)sn1 2176539972 SVCVWLPDSFEWID-UHFFFAOYSA-N 483.091 4.116 50 10 JIGE O=S(=O)(c1cc(CBr)sc1Br)N1CCC[C@H](C(F)F)C1 2179775305 KNMRVQCCLURHGZ-ZETCQYMHSA-N 453.168 4.071 50 10 JIGE Cc1ccc(I)c(C(=O)N[C@@H]([C@H](C)Br)C(F)(F)F)c1 2232167776 VSMGAKNTENDHNA-XVKPBYJWSA-N 450.036 4.044 50 10 JIGE O=C(c1c(F)cccc1I)N1C[C@@H](Br)CCC12CCC2 2282795551 VTFBBUSNZQJSIE-JTQLQIEISA-N 452.105 4.353 50 10 JIGE C[C@H](Br)COCc1cn(Cc2c(Br)cccc2Br)nn1 2295792397 UJDZVQJQWPEETG-VIFPVBQESA-N 467.987 4.151 50 10 JIGE COc1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2296543562 MPPWVJIANPUGPF-UHFFFAOYSA-N 452.470 4.350 50 10 JIGE COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)C2=C(C)NNC(=O)c2ccccc2)cc1 2313683077 REJRDGCAQWPEGJ-UHFFFAOYSA-N 483.553 4.264 50 10 JIGE CC(C)(C)OC(=O)N[C@H](C[S@@](C)(=O)=NC[C@@]1(CBr)CC1(F)F)C(C)(C)C 2351892179 LURIOMQRQFXEHW-NGWHJMDBSA-N 461.413 4.444 50 10 JIGE Clc1ccc(I)cc1CN1CCO[C@@H]2C[C@@H](Br)C[C@@H]21 2352431076 CBWQFCSAAGDCDT-LEWSCRJBSA-N 456.549 4.071 50 10 JIGE CCOC(=O)c1ccc(N2CSC3=C(C#N)[C@@H](c4ccc(OC)cc4OC)CC(=O)N3C2)cc1 6577345 MYGYXIPRVVFNRR-HXUWFJFHSA-N 479.558 4.100 50 10 JIGE aggregator CC[C@@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 10295502 DHHXWTLVDYSQMF-CHWSQXEVSA-N 484.405 4.274 50 10 JIGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)/C=C/c1ccc(Cl)cc1 14833995 SWRSAPSOYIGQOP-VCFDLTMXSA-N 472.781 4.149 50 10 JIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4F)ccc32)cc(OC)c1OC 38660617 AKQBGEZWWNCIJS-QHCPKHFHSA-N 476.460 4.289 50 10 JIGE CN1C(=C(C#N)C(=O)COc2c(Br)cccc2Br)N(C)c2ccccc21 72042602 MFYYZXHPFJPZJU-UHFFFAOYSA-N 477.156 4.481 50 10 JIGE C[C@@H]1CN(C(=O)CN2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)C(C)(C)CCl 245327076 IQMBVRQFDCUCOW-UZUQRXQVSA-N 492.060 4.159 50 10 JIGE Cc1[nH]c2ccc([N+](=O)[O-])cc2c1C=NNC(=O)/C(=C/c1ccccc1)NC(=O)c1ccccc1 252594008 BOLIPIKBXAOGGX-DJOPDBEESA-N 467.485 4.306 50 10 JIGE CCOc1ccc(C=NNC(=O)C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)F)cc1 252612977 IYFIWPDSEWXNTD-UHFFFAOYSA-N 472.254 4.434 50 10 JIGE Cc1ccc(Cl)cc1N(CC(=O)NN=Cc1ccc(OCc2ccccc2)cc1)S(C)(=O)=O 252615865 JWGMBPHJUPHEIW-UHFFFAOYSA-N 485.993 4.144 50 10 JIGE COc1cc([C@@H](Br)c2c(Br)cnn2C)c(OC)cc1Br 693083765 KOHALYWMIKXGLY-GFCCVEGCSA-N 468.971 4.447 50 10 JIGE COc1ccc(C(C)=NNC(=O)COc2ccc(Br)cc2Br)c(OC)c1 1083956693 LOVDDCPFXHZLIT-UHFFFAOYSA-N 486.160 4.148 50 10 JIGE CCN1C(=O)C(=NNC(=O)CCCOc2ccc(Cl)cc2Cl)c2cc(OC)ccc21 1772720358 KRAVLTUWVKUQMX-UHFFFAOYSA-N 450.322 4.048 50 10 JIGE COc1ccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4ccc5c(c4)OCO5)c(C)c32)cc1 1772746030 PJALMCHWMISRSU-UHFFFAOYSA-N 461.474 4.048 50 10 JIGE COc1ccc(/C=C(/C(=O)N2CCC[C@H](C(=O)NNc3ccccn3)C2)c2ccccc2)cc1 1873777901 WHEVBEPBHGYQPV-UWODKOOBSA-N 456.546 4.013 50 10 JIGE C[C@@H]1[C@@H](Br)CCN1Cc1ccc(I)c(Br)c1 1904343814 MRJQUINMQHEVST-SCZZXKLOSA-N 458.963 4.411 50 10 JIGE Cc1nc(I)c(I)n1-c1nc(Cl)c(CCl)s1 1936388155 IZHDZJFQELCPPI-UHFFFAOYSA-N 499.930 4.239 50 10 JIGE CCN(C[C@](C)(CI)OC[C@@H]1CCCCCO1)C(=O)OC(C)(C)C 1947245282 JFZLYZPBQUWZGX-YJBOKZPZSA-N 455.377 4.413 50 10 JIGE CC(C)(C)OC(=O)N1CCN(C[C@@H](Br)C(F)(F)F)CCN1C(=O)OC(C)(C)C 1955955035 AEGFMNUVFZESCG-GFCCVEGCSA-N 476.334 4.017 50 10 JIGE Cc1nn(C)c(C(=O)N(Cc2ccccc2)C2(CBr)CCC2)c1Br 2017377483 VFVJWVZZERQTDO-UHFFFAOYSA-N 455.194 4.451 50 10 JIGE CN(c1ncc(I)cc1Br)C1(CCl)CCSCC1 2069528085 GSEIYRHMIPTBMJ-UHFFFAOYSA-N 461.594 4.390 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@H](Cl)C2(CCC2)C1 2108690274 OAHVATYYXLTHBT-LBPRGKRZSA-N 454.533 4.287 50 10 JIGE O=C(NC[C@]1(F)C[C@@H](CCl)C1)c1cc(I)ccc1Br 2112239791 MTJLWHVTNQAGQL-KTLJEJPDSA-N 460.512 4.141 50 10 JIGE O=C(c1csc(Br)c1Br)N1CCO[C@@H]2C[C@H](Br)C[C@@H]21 2128870151 OBMUBWRAAPOZBO-BWVDBABLSA-N 474.012 4.040 50 10 JIGE O=C(N[C@H](CCl)CC(F)(F)F)c1ccc(Br)cc1I 2142277987 XGSVUQPTAPSGGA-ZETCQYMHSA-N 470.454 4.343 50 10 JIGE C[C@@H](CBr)[C@@H]1CCCCN1C(=O)Cc1ccccc1I 2143873001 MTFFDXIJRCUQGN-WFASDCNBSA-N 450.158 4.246 50 10 JIGE CC[C@]1(NS(=O)(=O)c2ccccc2CCl)CCCN(C(=O)OCc2ccccc2)C1 2162590084 XRFLVTVWVJJTHF-QFIPXVFZSA-N 450.988 4.285 50 10 JIGE C[C@@H]1CC[C@@H](CN(C)S(=O)(=O)c2cc(CBr)sc2Br)S1 2179785617 ORJOQJBWUZQFSV-BDAKNGLRSA-N 463.282 4.310 50 10 JIGE COc1cc(S(=O)(=O)N(Cc2ccccc2)CC2CC2)cc(CBr)c1OC 2179826555 UBIXJOLFASDPMD-UHFFFAOYSA-N 454.386 4.200 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1[C@H]2CC[C@H]1[C@H](F)[C@@H](Br)C2 2190680463 WMJZGBSOSVHBJM-WTTBSCSTSA-N 472.523 4.423 50 10 JIGE CC(C)(CI)CN1CC[C@@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C1 2306819486 VDMHVZBCMBRTMN-VXGBXAGGSA-N 464.310 4.225 50 10 JIGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCC#N 2313567024 BGLCBKLXYKGZRQ-UHFFFAOYSA-N 487.297 4.446 50 10 JIGE CCOc1cc(C=NNC(=O)c2cc(-c3ccc(F)cc3)nc(O)n2)cc(Cl)c1OCC 2323701888 FJULCLNVOJNLDV-UHFFFAOYSA-N 458.877 4.203 50 10 JIGE Cn1nc(Br)c(Br)c1C(=O)NC[C@H](CBr)CC(C)(C)C 2364021828 JZIDILAPMLXPTK-QMMMGPOBSA-N 474.035 4.122 50 10 JIGE ClC[C@H]1N(Cc2ccc(I)c(Br)c2)CC12CCOCC2 2381045608 VCMBGPLILUZGJH-CQSZACIVSA-N 470.576 4.274 50 10 JIGE CC(C)(C)c1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1 12573879 WLTFPIFJCNRWAS-UHFFFAOYSA-N 480.634 4.452 50 10 JIGE Cc1ccccc1OCC(=O)NNC(=O)COc1ccc(-c2ccccc2)cc1Br 14642173 WZFJHVDMDZKCPW-UHFFFAOYSA-N 469.335 4.030 50 10 JIGE CC(C)c1ccccc1OCC(=O)NNC(=O)COc1ccc(Br)cc1C(C)(C)C 14668117 VVILXQMPTIXXEF-UHFFFAOYSA-N 477.399 4.475 50 10 JIGE COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NNC(=O)c2cn(C)c3ccccc23)cc1 15092778 SETQFOJYRZAKNZ-UHFFFAOYSA-N 465.513 4.114 50 10 JIGE Cc1cccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)NNC(=O)c3cn(C)c4ccccc34)c2)c1 24179808 PNKGILZHJXVOAZ-UHFFFAOYSA-N 496.976 4.016 50 10 JIGE Cc1nc(Nc2ncnc(NNC(=O)C(c3ccccc3)c3ccccc3)c2[N+](=O)[O-])sc1C 40650017 XCYAWUSHBVRAGO-UHFFFAOYSA-N 475.534 4.477 50 10 JIGE COc1cc(C=NNC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2Cl)ccc1O 252620212 LZKRXLLCNPFBSO-JTZSADJTSA-N 492.963 4.041 50 10 JIGE C[C@H]1CN(Cc2ccccc2)CCN1S(=O)(=O)c1cc(Br)cc(CCl)c1F 382648994 UHKYXJDYAIBUDD-AWEZNQCLSA-N 475.811 4.222 50 10 JIGE COc1cc([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)ccc1N 382684887 HIQKASOLVNDVSV-IAGOWNOFSA-N 466.319 4.065 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2C[C@@H](C)[C@@H](CBr)C2)cc1Br 709241489 VPBHQKLXZWASSQ-ZJUUUORDSA-N 490.055 4.172 50 10 JIGE O=C(N[C@@H]1CCCC[C@@H]1Br)c1ccc(I)c(Br)c1 721570686 ASCXOSAEOBNECI-JOYOIKCWSA-N 486.973 4.490 50 10 JIGE CC(C)N(CCOCCCl)C(=O)c1ccc(I)c(Br)c1 721570720 AWLLWYYRLPFFDF-UHFFFAOYSA-N 474.564 4.160 50 10 JIGE COc1ccc(-c2nn(CCC#N)cc2/C=C(/C#N)C(=O)N[C@@H](C)c2nc(C)cs2)cc1OC 727678224 LZYHMAUGMCVJAK-PMFHANACSA-N 476.562 4.030 50 10 JIGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCC#N)c(OCC)c2)cc1 1084239626 PEDWRFUSDWHZIY-HXUWFJFHSA-N 459.930 4.004 50 10 JIGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(F)cc2)cc(Br)c1O 1865688507 UDHFWHAZTDFFBR-HXUWFJFHSA-N 499.340 4.464 50 10 JIGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(C)cc2)cc1 1865708432 AADQSHUIHNHDJN-GOSISDBHSA-N 468.435 4.263 50 10 JIGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(C)cc2)cc(OC)c1O 1865715005 SPZWNFUHUGHVOZ-SFHVURJKSA-N 486.450 4.200 50 10 JIGE COc1ccc(-c2ccc(C(=O)NNC(=O)CCC(=O)c3ccc(Br)cc3)c(C)n2)cc1 1865757265 UVROECIYXOJEAE-UHFFFAOYSA-N 496.361 4.252 50 10 JIGE COC(=O)c1ccccc1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3cccc(OC)c3)cs2)CC1=O 1872744460 SSOFMBYEIWXVKN-JJXNMMKVSA-N 475.526 4.451 50 10 JIGE COc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)ccc1OC(C)C 1873795113 RWVRRJMFTGAXDY-NTRYICDMSA-N 455.555 4.069 50 10 JIGE C[C@H]1[C@H](Br)CCN1S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 1914423077 GRXXVEMNFNPQEV-POYBYMJQSA-N 451.995 4.302 50 10 JIGE CCn1ncc(Br)c1C(=O)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915263108 LKEGCTOTJCVLES-MRXNPFEDSA-N 455.194 4.481 50 10 JIGE CC(C)(C)OCCCO[C@@]1(CI)CCCN(C(=O)OC(C)(C)C)C1 2010930293 NNGMHHHKLDKGEC-GOSISDBHSA-N 455.377 4.413 50 10 JIGE C[C@@H](Br)CCN(C)C(=O)c1ccc(Br)cc1I 2026219818 ZDSXKMRKGSPZCR-MRVPVSSYSA-N 474.962 4.299 50 10 JIGE C[C@H]1C[C@@H](CBr)CN1C(=O)c1cc(Br)ccc1I 2038891543 UHHJINLFAOTSAI-IUCAKERBSA-N 486.973 4.299 50 10 JIGE C[C@@]1(NC(=O)c2ccc(I)c(Br)c2)CCC[C@@H]1Br 2062594337 PRHINUUGVLDKLS-WCQYABFASA-N 486.973 4.490 50 10 JIGE O=C(NC[C@]1(F)C[C@H](CBr)C1)c1cccc(Br)c1Br 2112256400 YJNIKRXSUCJEIC-XCSCGOTBSA-N 457.963 4.455 50 10 JIGE BrCc1ccc(-n2cnc3c(I)ncnc32)cc1Br 2121249170 XXSNPECHQVKBNY-UHFFFAOYSA-N 493.928 4.078 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CC[C@H](Cl)[C@@H]2CC[C@H]21 2133738186 VUOBPZINNPEQJV-XHVZSJERSA-N 454.533 4.286 50 10 JIGE O=S(=O)(c1csc(CBr)c1)N1CCCN(Cc2ccccc2)CC(F)(F)C1 2179813738 WCMYNIMWTIZWGQ-UHFFFAOYSA-N 479.412 4.175 50 10 JIGE C[C@H]1[C@H](C(F)(F)F)N(CCCCCI)CCN1C(=O)OC(C)(C)C 2214708444 KHOMWFSEFCCZBO-QWHCGFSZSA-N 464.310 4.464 50 10 JIGE C[C@@H](CCCCCI)NS(=O)(=O)Cc1ccc(Br)cc1 2234489408 KRYBSTYKLKFRNW-LBPRGKRZSA-N 474.202 4.252 50 10 JIGE O=C(c1cc(Br)c(Br)s1)N1C[C@@H]2OCCC[C@]2(CBr)C1 2238793503 DUGNYWNEJMCGDZ-GWCFXTLKSA-N 488.039 4.289 50 10 JIGE CC(C)(C)OC(=O)N1C[C@@H](Br)[C@H](OCc2ccc(Br)cc2F)C1 2243291521 ZICWWXNKBMBHTB-TZMCWYRMSA-N 453.146 4.488 50 10 JIGE C[C@H](Br)CN(CC(C)(C)C)C(=O)c1ccc(I)c(O)c1 2288078391 LAVGSJFJRIKZBI-JTQLQIEISA-N 454.146 4.269 50 10 JIGE O=C(Cn1cnc2ccccc21)NN=Cc1cc(Br)ccc1OC(=O)C=Cc1ccco1 2313653343 RUZZJXIZQKTNKO-UHFFFAOYSA-N 493.317 4.161 50 10 JIGE O=S(=O)(N[C@H](CCCl)COCc1ccccc1)c1ccc(Br)cc1F 2320661794 PLORLMZMCHYOAG-OAHLLOKOSA-N 450.757 4.081 50 10 JIGE Cc1cc(I)ccc1NC(=O)C(C#N)=CNCc1ccc(Br)cc1 2325411882 INYKDHCFIMCNBB-UHFFFAOYSA-N 496.146 4.498 50 10 JIGE O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)NN=Cc1ccccc1Br 2325903634 GSSVCSMCBJQLJA-UHFFFAOYSA-N 467.348 4.038 50 10 JIGE COc1ccc(C=C(C#N)C(=O)NC[C@H](c2c(F)cccc2Cl)N2CCCC2)cc1OC 2329701230 ADTPJCKDSOYEGT-HXUWFJFHSA-N 457.933 4.357 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1C[C@@]2(CBr)CC[C@H]1C2 2336463515 OGHIGUHUCFRLPM-HZMBPMFUSA-N 454.533 4.334 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CCC2CC1(CCl)C2 2336552649 FXSAXUSVEAFDJD-UHFFFAOYSA-N 454.533 4.287 50 10 JIGE CC[C@@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)COc2ccccc2-c2ccccc2)c1 10670200 DQMGWQOLLXCFCR-GOSISDBHSA-N 477.586 4.245 50 10 JIGE CC(C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2sc3ccccc3c2Cl)cc1 13981169 XJCIQRRWWOQLTP-UHFFFAOYSA-N 461.996 4.393 50 10 JIGE N#CC1=C(N)OC2=C([C@@H]1c1cccnc1)S(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccccc12 20132088 IRNNKXJNOIFNIG-OAQYLSRUSA-N 476.945 4.261 50 10 JIGE COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C(/C#N)S(=O)(=O)c1ccccc1 33369220 DTRPWNYJNNFPGS-CYVLTUHYSA-N 473.510 4.142 50 10 JIGE CCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc([N+](=O)[O-])c1 38654188 ANYHQWAJZXPJAF-HSZRJFAPSA-N 457.442 4.431 50 10 JIGE Cc1cccc(NC(=S)NNC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(Cl)cc2)c1C 72115592 AQJKMCGUHOTGEY-JOCHJYFZSA-N 481.021 4.316 50 10 JIGE CCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c([N+](=O)[O-])c2)C1=O 214208343 GLLDDFAQVAGTKT-NDENLUEZSA-N 483.484 4.068 50 10 JIGE Cc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2ccccc2C(F)(F)F)cc1 254710764 GVGALRZDGCOAEJ-UHFFFAOYSA-N 468.435 4.355 50 10 JIGE C[C@H]1CN(Cc2ccccc2)CCCN1S(=O)(=O)c1cc(CCl)oc1Br 382645427 JRTIOJLTXGYPHV-AWEZNQCLSA-N 461.809 4.066 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N(C)C[C@H](C)CBr)cc1Br 689005852 CMKXQFFXJVGHSO-MRVPVSSYSA-N 478.044 4.172 50 10 JIGE CC(C)[C@@H]1CN(S(=O)(=O)c2cc(CCl)oc2Br)CCN1Cc1ccccc1 704757806 STVVNBNPXICNKR-KRWDZBQOSA-N 475.836 4.312 50 10 JIGE O=C(NCc1ccccc1OC(F)(F)F)NNC(=O)c1ccc(Br)cc1Cl 728941374 XUVMMKHIYXHJFD-UHFFFAOYSA-N 466.641 4.145 50 10 JIGE CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(S(=O)(=O)C[C@@H]3CCCO3)cc2)c1C 731336802 SQGNMWBOWQFXSL-RNHBDSLOSA-N 469.607 4.403 50 10 JIGE COc1ccc(OC)c(NC(=O)c2oc3c(c2C)C(=NNC(=O)COc2ccccc2)CCC3)c1 1772750097 UCJYDBVRQIJKEI-UHFFFAOYSA-N 477.517 4.093 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2c(F)cccc2Cl)[C@@H]1c1ccc(O)cc1O 1865681505 PFWZKIZJHZPGCT-MRXNPFEDSA-N 480.805 4.372 50 10 JIGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865714867 RXNSTSVEONGSAC-HXUWFJFHSA-N 465.897 4.369 50 10 JIGE N#CSc1ccc(NC(=O)CNC(=O)CCCC(=O)c2ccc(Br)cc2)cc1 1868136416 WWLNQZAFFAYZKA-UHFFFAOYSA-N 460.353 4.130 50 10 JIGE COC(=O)c1ccc2c(O)nc(/C(C#N)=C/c3ccc(OC(=O)c4ccccc4)c(OC)c3)nc2c1 1872727670 RIQPMCQFZJBJRU-XDHOZWIPSA-N 481.464 4.414 50 10 JIGE COc1ccccc1OCC(=O)N/N=C/c1ccc(OCc2cccc(Cl)c2)c(OC)c1 1873497314 OQNIXGQNQIAWHP-VULFUBBASA-N 454.910 4.465 50 10 JIGE CC[C@@H](Cl)CN(Cc1ccccc1)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1915116903 ZQTKLXPZYYWGEG-HXUWFJFHSA-N 477.026 4.302 50 10 JIGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)c1cccc(I)c1 1916373992 FIQNKAMCBNORHW-MRXNPFEDSA-N 488.163 4.344 50 10 JIGE C[C@H]1C[C@H](Br)CN(C(=O)c2ccc(Br)cc2I)C1 2086151637 QLLCIUNLGQRXPV-WPRPVWTQSA-N 486.973 4.299 50 10 JIGE Cn1nc([C@@H](Cl)c2cc(I)cc3c2OCC3)cc1Br 2094083290 ZQGWRSJAUKIZQS-LBPRGKRZSA-N 453.505 4.050 50 10 JIGE C#CC[C@](C)(CBr)CNC(=O)c1cc(I)ccc1Br 2140712964 IGIGRJIYNBRACY-CQSZACIVSA-N 498.984 4.208 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@@H](Cl)[C@@H](C2CC2)C1 2142279441 QDVNLSCXDKMXFY-VXGBXAGGSA-N 454.533 4.143 50 10 JIGE Clc1cc(CN2[C@H](CBr)C[C@H]3OCC[C@H]32)ccc1I 2142944514 SVNAQBMYVJLMSN-ZLKJLUDKSA-N 456.549 4.071 50 10 JIGE Cc1cc(CBr)ccc1S(=O)(=O)N(Cc1ccccc1)C1CCN(C)CC1 2179788188 ZFRMPUYBIVOOIZ-UHFFFAOYSA-N 451.430 4.175 50 10 JIGE C[C@@H](c1cscn1)N(C)S(=O)(=O)c1cc(CBr)sc1Br 2179791122 MZYPWBBBSKHHIY-ZETCQYMHSA-N 460.238 4.244 50 10 JIGE CN(C[C@@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1cccc(CBr)c1 2179808607 KJNHEPYVBRUMCQ-FQEVSTJZSA-N 451.430 4.114 50 10 JIGE C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)N(S(=O)(=O)c2cccc(CBr)c2)C1 2179821472 KZFCFZSYWIYSMP-QZTJIDSGSA-N 451.430 4.113 50 10 JIGE CC(C)(C)OC(=O)N1CCC(CI)(O[C@@H]2CC[C@@H]3[C@H]2C3(F)F)CC1 2216650557 IHZWZLLZTRZNOV-JHJVBQTASA-N 457.299 4.251 50 10 JIGE F[C@H]1C[C@H](Br)CN(c2ncc(C(F)(F)F)cc2I)C1 2226304915 FJRNATRJPALDJL-YUMQZZPRSA-N 453.015 4.017 50 10 JIGE COCCN(C[C@H](C)Br)C(=O)c1scc(Br)c1Br 2259743029 BOXZJSLEHQDWIJ-ZETCQYMHSA-N 464.017 4.145 50 10 JIGE COc1ccc(CC(=O)N(C)C[C@H](Br)COCc2ccccc2)c(Br)c1 2338816289 GUWMIWBAHNSMSW-KRWDZBQOSA-N 485.216 4.439 50 10 JIGE O=C(c1sccc1I)N1C[C@@H]2C[C@@H](CBr)C[C@@H](C2)C1 2343321145 CFPSHNYAKDANKG-RTCCRHLQSA-N 454.171 4.236 50 10 JIGE O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)N/N=C/c1cn(Cc2ccccc2)c2ccccc12 8766287 OHGVPJNDVXTJPQ-AMVVHIIESA-N 495.608 4.490 50 10 JIGE CCc1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2O)c(Br)c1 13977519 RDFFELXRBHCNGA-AWQFTUOYSA-N 456.134 4.009 50 10 JIGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)/C=C/c1cccc2ccccc12 13980529 JZUYCDXCTXZZCD-WXWBBQJKSA-N 461.587 4.467 50 10 JIGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)COc2ccc(Br)cc2Cl)cc1 13983369 KNIHJHWQKASEEW-ZDUSSCGKSA-N 469.763 4.221 50 10 JIGE CC(C)CCOc1ccc(C(=O)NNC(=O)Cn2ccc3ccccc32)cc1Br 14776296 OBHAWBHMODDVQE-UHFFFAOYSA-N 458.356 4.290 50 10 JIGE COc1ccc(/C(C)=N\NC(=O)c2cccc(S(=O)(=O)Nc3cccc(Cl)c3)c2)c(O)c1 33045589 QZWMHFTWTDSKJI-OYKKKHCWSA-N 473.938 4.009 50 10 JIGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2OC)ccc1OCCN1CCOCC1 33744742 FIVRQCKJEUGGRJ-RGEXLXHISA-N 485.968 4.004 50 10 JIGE CC(C)Oc1ccc(-c2cc(C(=O)NN/C=C3\C=C([N+](=O)[O-])C=CC3=O)c3ccccc3n2)cc1 38186675 LLSRFNWGYIVIBZ-OBGWFSINSA-N 470.485 4.107 50 10 JIGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4)ccc32)cc(OC)c1OC 38660419 KGTHZIXVXYKRGB-HSZRJFAPSA-N 458.470 4.150 50 10 JIGE O=C(CCN1CCN(C(c2ccccc2)c2ccccc2)CC1)N/N=C/c1c[nH]c2ccccc12 40571092 LTIFSHYQMWRLRJ-DFKUXCBWSA-N 465.601 4.415 50 10 JIGE COc1ccccc1Nc1ncnc(NNC(=O)C(c2ccccc2)c2ccccc2)c1[N+](=O)[O-] 40648402 RGKKYSUYIJEMTD-UHFFFAOYSA-N 470.489 4.412 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2CC[C@@H](Br)[C@H](C)C2)cc1Br 167884009 SYPLIKUYWPMUHP-NXEZZACHSA-N 490.055 4.314 50 10 JIGE CCOc1cc(C=NNC(=O)CSc2nc3ccccc3n2Cc2ccccc2)ccc1O 254385662 NMYZAWHHSSRNIJ-UHFFFAOYSA-N 460.559 4.431 50 10 JIGE CCOc1ccc(C(C)=NNC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)cc1 254500330 DYILPOIDFWSCIS-UHFFFAOYSA-N 479.602 4.438 50 10 JIGE CCCCCCn1c(=O)c(C(=O)NN=Cc2cc(OC)cc(OC)c2OC)c(O)c2ccccc21 254569795 UBOIBAUTHLPHIZ-UHFFFAOYSA-N 481.549 4.077 50 10 JIGE COc1ccc(C(C)=NNC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)cc1OC 254626642 KECIEFRSKBFQSB-UHFFFAOYSA-N 495.601 4.056 50 10 JIGE C[C@H](Cl)c1nc2cc(I)ccc2n1-c1cnn(C)c1Br 694196671 IUFSBDYJOAHRAM-ZETCQYMHSA-N 465.520 4.426 50 10 JIGE COc1ccc(NC(=O)C(=O)NN=Cc2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)cc1 725446533 MYEXLKJGWRSPRL-UHFFFAOYSA-N 459.333 4.498 50 10 JIGE CC(C)(c1ccccc1)c1ccc(OCC(=O)NN=Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 1084448551 HUXNZOZVTSKPDU-UHFFFAOYSA-N 462.462 4.358 50 10 JIGE Nn1c(SCCCC(=O)NN=Cc2ccccc2OCc2ccccc2)nnc1-c1ccccc1 1084559371 UWOCGFDKYNZFKO-UHFFFAOYSA-N 486.601 4.261 50 10 JIGE CC(=O)N1CCN(C(=O)/C(C#N)=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)[C@H](C)C1 1435474744 AIPLNEHFAATZGB-GDXCHIGESA-N 459.377 4.387 50 10 JIGE COc1ccc(OC)c([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)c1 1614812308 ZAMCQQAFJCNCIA-VQIMIIECSA-N 481.330 4.491 50 10 JIGE O=C(COc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1F)Nc1ccccc1Cl 1858680962 AYYKRGUFXMMPDF-UHFFFAOYSA-N 460.805 4.411 50 10 JIGE CCOc1ccc(NC(=O)COc2cccnc2NC(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1 1858682959 SRWXLEYRICENTB-UHFFFAOYSA-N 470.413 4.156 50 10 JIGE Cn1cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1c(F)cccc1Cl 1865699222 NSTMXTTWHRUATC-HNNXBMFYSA-N 451.811 4.299 50 10 JIGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865711737 HCTVGEKJXRHXOK-QHCPKHFHSA-N 487.516 4.090 50 10 JIGE O=S(=O)(c1cscc1Br)N(CCCBr)Cc1ccccc1 1914649784 UFACUIMHLYZNJZ-UHFFFAOYSA-N 453.221 4.487 50 10 JIGE CN(C[C@@H](Br)COCc1ccccc1)S(=O)(=O)c1cscc1Br 1916367350 SWALMKNUKXDACO-CYBMUJFWSA-N 483.247 4.111 50 10 JIGE O=C(N[C@@H](CCBr)C(F)(F)F)c1cc(Cl)ccc1I 1918554604 UMNNPRZJDFSYIJ-VIFPVBQESA-N 470.454 4.390 50 10 JIGE CC(C)[C@@H](Cl)c1cn(-c2cc(I)cc(I)c2)nn1 2057418770 RASLFXRMBZXAQM-GFCCVEGCSA-N 487.510 4.412 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(O[C@H]2COC3(CCCC3)C2)C1 2069129867 XVYJEIAYIGQIIM-BEFAXECRSA-N 465.372 4.309 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CCCC[C@@H](Br)C1 2086150732 FEAYKBQPYSLEER-SNVBAGLBSA-N 486.973 4.443 50 10 JIGE CS(=O)(=O)c1csc([C@H](Br)c2ccc(F)cc2I)c1 2093075562 YDHSDTCEPXPBIF-GFCCVEGCSA-N 475.142 4.380 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@H]2C[C@@H](Br)C[C@H]2C1 2128632265 PIZOQGRGOWPHSA-DOFRTFSJSA-N 498.984 4.299 50 10 JIGE CC(C)n1cc(S(=O)(=O)N(C)[C@@H]2CC[C@H]2OCc2ccccc2)cc1CBr 2179859222 AAAFKZKIKRUICZ-WOJBJXKFSA-N 455.418 4.332 50 10 JIGE O=S(=O)(c1cc(Cl)c(Br)s1)N1[C@H]2CC[C@@H]1C[C@@H](CBr)C2 2184585358 JCRPXDWRDIZFMH-PSVAKVPMSA-N 463.644 4.491 50 10 JIGE C[C@@]12CC[C@@](CBr)(C1)N(C(=O)c1cc(I)ccc1F)C2 2199517277 RYOOAZIHAWFYMD-CABCVRRESA-N 452.105 4.210 50 10 JIGE COc1cc(Cl)c([C@@H](Br)c2nn(C)nc2Br)cc1Br 2226971531 DJDPUNANTVXNET-SECBINFHSA-N 474.378 4.486 50 10 JIGE COc1c(C)cc(Br)cc1[C@@H](Br)c1nn(C)nc1Br 2226975272 UQBZBWOSMIXJEY-SECBINFHSA-N 453.960 4.141 50 10 JIGE Cc1ccc(I)c(C(=O)N2CCC(C)(C)[C@H](CBr)C2)c1 2240915838 SQYVSTJQYFVEIT-GFCCVEGCSA-N 450.158 4.483 50 10 JIGE C[C@H]1C[C@@H]1N(CCBr)C(=O)Cc1cc(Br)cc(Br)c1 2277924893 JFZLPDNCDSFUTO-ZANVPECISA-N 454.000 4.386 50 10 JIGE CCOC(=O)O[C@@]1(C(=O)OCCl)CC[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@@]21C 2294815210 UJMSHOQZQCLVEP-MQHDDZBYSA-N 464.942 4.125 50 10 JIGE CSc1ccc(C=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2)cc1 2295489498 VIDNPNJOMYPIPO-UHFFFAOYSA-N 458.587 4.396 50 10 JIGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(OC)cc4)ccc32)cc1 2314634838 SJWIHMJYFCJFKS-SANMLTNESA-N 482.492 4.319 50 10 JIGE CC(C)(CI)CN1C[C@@H]2CC(F)(F)CC[C@]2(NC(=O)OC(C)(C)C)C1 2326668664 MRGZJWUADPMVNO-GUYCJALGSA-N 472.358 4.462 50 10 JIGE O=C(Cn1c(O)nc2ccccc2c1=O)NN=Cc1ccc(OCc2c(Cl)cccc2Cl)cc1 2328808935 BWKQLFFXCBLRPN-UHFFFAOYSA-N 497.338 4.138 50 10 JIGE O=C(c1cc(Br)ccc1I)N1[C@H]2CC[C@H](C2)[C@H]1CCl 2330992674 VBAAGRGYKNKZRE-DFAYQTQMSA-N 454.533 4.286 50 10 JIGE C=CC[C@@H](Cl)[C@@H]1CCN1C(=O)c1cc(Br)ccc1I 2335802489 CVJOMWHAILHGNO-YPMHNXCESA-N 454.533 4.452 50 10 JIGE COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(OC(C)C)c(OC)c2)N1C(=O)CCl 11767155 TUQLEIQRUICVPW-NTKDMRAZSA-N 470.953 4.218 50 10 JIGE O=C(COc1ccc2ccccc2c1)NC(=S)NNC(=O)C(c1ccccc1)c1ccccc1 12502592 KGXPRNAWNJIXED-UHFFFAOYSA-N 469.566 4.073 50 10 JIGE COc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C(/C#N)S(=O)(=O)c1ccc(C)cc1 35549901 DFUXNXKQYVGKRZ-CYVLTUHYSA-N 473.510 4.142 50 10 JIGE COc1ccccc1C(=O)NNc1ncnc(NC(c2ccccc2)c2ccccc2)c1[N+](=O)[O-] 40650608 YIHFGCAUSTUONB-UHFFFAOYSA-N 470.489 4.352 50 10 JIGE Cc1ccccc1C(=O)Nc1ccc(C(=O)N/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)cc1 97729838 BZDROFFWBXACHU-WYMPLXKRSA-N 497.305 4.388 50 10 JIGE C[C@H](Br)C[C@H](C)NC(=O)c1cc(I)ccc1Br 235405290 SUUSFJKWEGSNRY-YUMQZZPRSA-N 474.962 4.346 50 10 JIGE Cc1cc(S(=O)(=O)NCCCCCCI)sc1Br 235776597 FMLMJEZACJHQJS-UHFFFAOYSA-N 466.204 4.093 50 10 JIGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)CNC(=O)c2ccc(F)cc2)cc1 254308168 IQPCVZILZXHRAX-UHFFFAOYSA-N 499.546 4.347 50 10 JIGE COc1ccc(C=NNC(=O)c2cc(-c3ccc(OCc4ccccc4)c(OC)c3)n[nH]2)cc1 254863114 HXUBEUBVDHDLOG-UHFFFAOYSA-N 456.502 4.437 50 10 JIGE CC(C)N(CCOCCBr)C(=O)c1ccc(Br)cc1Br 379966025 GZHSQUDNJHYCHR-UHFFFAOYSA-N 472.015 4.474 50 10 JIGE Cc1cc(CCl)cc(S(=O)(=O)N2CC[C@H](OCc3ccccc3)C2)c1Br 383739674 ANBCPWQFYFSDNS-KRWDZBQOSA-N 458.805 4.476 50 10 JIGE CC[C@@H](NS(=O)(=O)c1cc(Br)ccc1Br)[C@@H](C)Br 386675697 HEUDEKNOZISCFA-GMSGAONNSA-N 464.017 4.052 50 10 JIGE N#CSc1ccc(NC(=O)c2cccc(NC(=O)N3CCN(C(=O)c4ccco4)CC3)c2)cc1 586673609 FLAAWSPLDBPRIL-UHFFFAOYSA-N 475.530 4.095 50 10 JIGE C[C@H]1CCN(S(=O)(=O)c2cc(Br)ccc2Br)C[C@H]1CBr 700446556 SFGVYCJVRCNZRV-VHSXEESVSA-N 490.055 4.253 50 10 JIGE CC1(C)CC[C@H](CBr)N(C(=O)c2ccc(I)c(O)c2)C1 701596691 RRVUYZKAKUURRG-LLVKDONJSA-N 452.130 4.023 50 10 JIGE Cc1cc(Br)ccc1NC(=O)CCNC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1 726280408 MZYMXCYYVLYWDM-UHFFFAOYSA-N 475.387 4.028 50 10 JIGE O=C(NNc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1cc2c(Br)cccc2[nH]1 728218635 AEFWIALAPKXDKU-UHFFFAOYSA-N 485.363 4.488 50 10 JIGE CC(C)(C)c1ccc(C(=O)NNC(=O)CSc2nnc(-c3cccs3)n2C2CC2)cc1 760449831 XWUXKUOUNZSTPZ-UHFFFAOYSA-N 455.609 4.192 50 10 JIGE CSc1ccc(C=NNC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)cc1 1083888205 NLYZBHNHZNFZPI-UHFFFAOYSA-N 467.616 4.371 50 10 JIGE COc1cc(OC)cc([C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)c1 1614811769 WZAOYTXACYYXMM-FXAWDEMLSA-N 481.330 4.491 50 10 JIGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)c1ccccc1)CCC2 1772745400 ZXYQJYSZHXZUQP-UHFFFAOYSA-N 499.354 4.440 50 10 JIGE Cc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2c1C(=NNC(=O)c1cccs1)CCC2 1772749316 KYYTXONIHGBMCP-UHFFFAOYSA-N 451.504 4.143 50 10 JIGE N#CSc1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1 1858625215 UBNQSPINOIYNAD-UHFFFAOYSA-N 471.391 4.105 50 10 JIGE CCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1cc(Br)c(O)c(OC)c1)C(C#N)=C(N)O2 1865690000 YTYHOYHYDIJBIX-IBGZPJMESA-N 499.340 4.328 50 10 JIGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc3c(c1)OCCO3)C(C#N)=C(N)O2 1865698140 LJZGHRHZLXHAAZ-DEOSSOPVSA-N 456.546 4.490 50 10 JIGE Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 1865705628 AJSARXGAWLZLIP-KRWDZBQOSA-N 455.396 4.385 50 10 JIGE O=C(c1cccc(F)c1I)N1C[C@@H](CBr)C2(CCC2)C1 1914494049 NYOMDEFYFMUUHX-SNVBAGLBSA-N 452.105 4.068 50 10 JIGE C[C@@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1sccc1Br 1914631515 DFLTUYCGYOLTCM-LLVKDONJSA-N 453.221 4.485 50 10 JIGE O=C(N[C@H](CBr)C[C@@H]1CCCO1)c1cc(Br)cc(Br)c1 1926739645 DOWSQVVXMCFEQT-STQMWFEESA-N 469.999 4.274 50 10 JIGE CCN(C[C@@](C)(CI)O[C@H]1COC2(CCC2)C1)C(=O)OC(C)(C)C 2020646716 PYMLMBZWXZGLJD-RHSMWYFYSA-N 453.361 4.165 50 10 JIGE O=C(NC[C@@H](CBr)C1CC1)c1cc(I)ccc1Br 2029484100 SOFAMKYNRDUWMJ-SECBINFHSA-N 486.973 4.205 50 10 JIGE O=C(CCl)c1cc(I)c(OC(F)(F)F)cc1I 2060036557 KCCHRUHHAAEBCE-UHFFFAOYSA-N 490.384 4.216 50 10 JIGE CN(C[C@H]1C[C@@H](Br)C1)C(=O)c1cc(Br)ccc1I 2076207864 JKICPHZFODHDBN-WAAGHKOSSA-N 486.973 4.299 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1CC[C@@H]2[C@H](CBr)[C@@H]2C1 2093139091 ZNKASWQZJWGAAM-OUAUKWLOSA-N 454.533 4.048 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1CC2(CC2)C[C@@H]1CBr 2099154196 KVGFSCYGGOYLFH-SNVBAGLBSA-N 454.533 4.334 50 10 JIGE COCCN1C[C@H](Br)[C@H](Cc2cc(Br)ccc2Br)C1 2118533528 ZYUIAEWYIPEXMW-RISCZKNCSA-N 456.016 4.096 50 10 JIGE O=C(NC[C@H](CCl)C(F)(F)F)c1ccc(Br)cc1I 2142284936 JOYPRKKWVHCMMJ-LURJTMIESA-N 470.454 4.201 50 10 JIGE CCn1cc(S(=O)(=O)N(Cc2ccccc2)[C@@H]2COC(C)(C)C2)cc1CBr 2179787610 RFBAJKIBCIDIFN-SFHVURJKSA-N 455.418 4.161 50 10 JIGE CCCN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1cc(CBr)co1 2179828992 WHCHHLYNXXXINX-UHFFFAOYSA-N 455.418 4.240 50 10 JIGE Cc1c(F)cc(CBr)cc1S(=O)(=O)N(CCCN(C)C)Cc1ccccc1 2179863435 LWZZIAHFHVBUNR-UHFFFAOYSA-N 457.409 4.172 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)NCC1(CCBr)CC1 2277936104 LBXWBFCSHBJNPF-UHFFFAOYSA-N 454.000 4.436 50 10 JIGE O=S(=O)(Cc1ccsc1Br)N[C@H](CCBr)COCc1ccccc1 2303589597 GFPLPJJLPHALMT-OAHLLOKOSA-N 497.274 4.300 50 10 JIGE CC(=O)Nc1ccc(-n2c(C)cc(C=C(C#N)C(=O)N3CCN(c4ccccc4)CC3)c2C)cc1 2313545835 IYVMOKOGYYVYRD-UHFFFAOYSA-N 467.573 4.308 50 10 JIGE CC[C@@H](NC(=O)C(C#N)=CNc1ccc(N2CCN(C)CC2)cc1)c1ccc2c(c1)CCCC2 2325092310 LVOUCLQJSGUKAE-HHHXNRCGSA-N 457.622 4.404 50 10 JIGE COc1c(Br)cc(C)c([C@@H](Br)[C@H]2COCCO2)c1Br 2339650450 GGNJJOSKMPIAHU-KOLCDFICSA-N 458.972 4.380 50 10 JIGE CC(C)OP(=O)(OC(C)C)C(/C=N/NC(=O)c1ccccc1)=N\NC(=O)c1ccccc1 2072558 JOCDPJMMKOZPSA-XZIKTUPWSA-N 458.455 4.189 50 10 JIGE Cc1ccc(C(=O)NNC(=O)c2cccc(OCCc3ccccc3)c2)cc1Br 10331554 ANMBRGUREXJAQT-UHFFFAOYSA-N 453.336 4.454 50 10 JIGE O=C(COc1cccc2ccccc12)NNC(=S)NC(=O)C(c1ccccc1)c1ccccc1 12502756 JQVOCFLXGFKYGB-UHFFFAOYSA-N 469.566 4.073 50 10 JIGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)CCC)cc2)cc1 14029133 YESLUNSOLFYJHT-UHFFFAOYSA-N 484.622 4.334 50 10 JIGE CCCN(Cc1cc(NC(=O)CCCl)ccc1N(C)C)S(=O)(=O)c1ccc(F)cc1 34921730 SLSUCXDFXKNJPS-UHFFFAOYSA-N 455.983 4.060 50 10 JIGE COc1cccc(NC(=O)/C(C#N)=C\c2c(Oc3ccccc3C)nc3ccccn3c2=O)c1 39858891 UHRCZSMHIQHLTH-JXAWBTAJSA-N 452.470 4.350 50 10 JIGE Cc1ccc(NS(=O)(=O)c2ccc(CBr)cc2)cc1I 115918364 RGNOQWKAMXZKPQ-UHFFFAOYSA-N 466.138 4.295 50 10 JIGE Brc1ccc(I)cc1[C@@H](Br)Cc1ncc[nH]1 232477056 OQAQDDRISDTENP-JTQLQIEISA-N 455.919 4.456 50 10 JIGE CC(=C\c1ccccc1)/C=C(/NC(=O)c1ccccc1)C(=O)NN=Cc1ccc([N+](=O)[O-])cc1 254306598 HZYYNLUGGRTLKP-DZYVKZNZSA-N 454.486 4.462 50 10 JIGE COc1ccc(NC(=O)C(=O)NN=Cc2c(OC(=O)c3ccc(C)cc3)ccc3ccccc23)cc1 254509142 ONUVXVSHYZTYLD-UHFFFAOYSA-N 481.508 4.465 50 10 JIGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3cccc(OC)c3)cc2OCC)cc1 254876139 HYMWRBBKVVKFGI-UHFFFAOYSA-N 462.502 4.476 50 10 JIGE CC(C)(C)[Si](OC[C@H]1[C@@H]2CC(=O)O[C@H]2C[C@H]1O[C@@H]1CCCCO1)(c1ccccc1)c1ccccc1 255983321 KKUBBAJCNWPXGW-YYDZWWTMSA-N 494.704 4.426 50 10 JIGE CCOC(=O)c1cc2ccc(OC(=O)[C@@]34CC[C@@](C)(C(=O)[C@H]3Br)C4(C)C)cc2oc1=O 256019887 KOPZWGPXQVYHJT-UZFJHSOTSA-N 491.334 4.034 50 10 JIGE COc1ccc(OC)c(C=NNC(=O)CSc2nc3ccccc3n2Cc2ccccc2)c1 263629541 SVZGWMKPRLEYSI-UHFFFAOYSA-N 460.559 4.344 50 10 JIGE Cc1c(I)cccc1NS(=O)(=O)c1ccc(CBr)cc1 312227325 DNQVLCNFQXEXIL-UHFFFAOYSA-N 466.138 4.295 50 10 JIGE COc1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)cc1O 382703866 QULVRTHVZCNXHZ-IAGOWNOFSA-N 467.303 4.188 50 10 JIGE C[C@H]1CN(C(=O)c2ccc(I)c(Cl)c2)C[C@H](C)C1Br 688081795 CZWVSDGHZUYXAT-IUCAKERBSA-N 456.549 4.436 50 10 JIGE CCCCC1CCC(C(=O)NNC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)CC1 1860771240 ODQJMUIIYOEZMA-UHFFFAOYSA-N 466.607 4.269 50 10 JIGE CCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1cc(OC)c(OC)cc1OC)C(C#N)=C(N)O2 1865711885 KTGFWBXWODURFO-QFIPXVFZSA-N 480.952 4.391 50 10 JIGE O=C(COc1ccc(C(=O)NCc2ccccc2)cc1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 1873496164 HBAWIVGGTUHUJO-STBIYBPSSA-N 498.495 4.314 50 10 JIGE O=C(c1c(Br)cccc1Br)N1C[C@H]2CC[C@@]2(CBr)C1 1903929706 AVYGECIYFDBCEZ-YMTOWFKASA-N 451.984 4.459 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CC[C@H](Cl)C12CCC2 1914409479 UQZKVAXGOABYLG-LBPRGKRZSA-N 454.533 4.430 50 10 JIGE CN(C(=O)c1ccc(I)c(Br)c1)C1(CBr)CCC1 1914976976 CURWELRZYRTMEY-UHFFFAOYSA-N 486.973 4.443 50 10 JIGE CC[C@@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1cncc(Br)c1 1915073610 HQNDAMNXTUIMQV-CQSZACIVSA-N 462.207 4.209 50 10 JIGE O=S(=O)(N[C@@H](CCBr)C(F)(F)F)c1c(Cl)cccc1Br 1918518968 AXIRRPRUVDZROK-QMMMGPOBSA-N 459.509 4.097 50 10 JIGE CN(CC(F)(F)CBr)C(=O)c1ccc(I)c(Br)c1 2033565722 PHWHOHLHVWPEEC-UHFFFAOYSA-N 496.915 4.156 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CCC[C@@](F)(CCl)C1 2101308944 VHCCLFRYBWFNCA-CYBMUJFWSA-N 460.512 4.237 50 10 JIGE CC1(C)CO[C@@H](CBr)CN1C(=O)c1scc(Br)c1Br 2111223392 XONFOOHVOQDDJD-ZETCQYMHSA-N 476.028 4.288 50 10 JIGE Cc1csc(CBr)c1S(=O)(=O)N(C)C[C@H]1CCN(Cc2ccccc2)C1 2123238069 SUEQBSMKYBDCQD-QGZVFWFLSA-N 457.459 4.094 50 10 JIGE C[C@]1(CBr)COCCN(Cc2ccc(Br)cc2Br)C1 2135088744 BNDJZMOZGUAMEJ-CQSZACIVSA-N 456.016 4.445 50 10 JIGE CCCN1CC[C@H]([C@H](Br)c2cc(Br)ccc2Br)S1(=O)=O 2145770057 RKIJTZYFVWUSEF-CHWSQXEVSA-N 490.055 4.462 50 10 JIGE COc1cc(CBr)cc(Br)c1OCc1cc(Br)n(C)n1 2168206436 ZSNXKRCLJQVJBE-UHFFFAOYSA-N 468.971 4.428 50 10 JIGE O=C(c1cc(I)ccc1F)N1CC[C@@H]2C[C@@H](Br)CC[C@@H]21 2169665307 XNUCIYBSWYZWMC-BFVZDQMLSA-N 452.105 4.208 50 10 JIGE O=S(=O)(c1cc(F)ccc1CBr)N(Cc1ccccc1)CC1CCOCC1 2179786339 ZHPZKHAVUJGYJM-UHFFFAOYSA-N 456.377 4.338 50 10 JIGE CN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(Cl)cc(CBr)c1F 2179861005 AJNYTVXZEBJKEI-QGZVFWFLSA-N 475.811 4.269 50 10 JIGE CN([C@@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@@H]21)S(=O)(=O)CCC(F)(F)CBr 2190547568 NFOOVCKMYNKBNI-XLAORIBOSA-N 466.388 4.052 50 10 JIGE C[C@H](Br)[C@H](NS(=O)(=O)c1ccc(Cl)c(Br)c1)C(F)(F)F 2195326358 ZNWRMKFAFBKXMW-CDUCUWFYSA-N 459.509 4.095 50 10 JIGE O=C(NC[C@]12CCC[C@]1(CBr)C2)c1c(F)cccc1I 2282812597 UHPFLLHKWCOWQJ-HUUCEWRRSA-N 452.105 4.115 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N1CC(F)(F)C[C@@H]1CBr 2295310291 UYOULQSFPLBXQZ-LLVKDONJSA-N 475.953 4.385 50 10 JIGE COc1cc(OC)c([C@@H](Br)c2cnn(C)c2Br)cc1Br 2295436387 BTEVIJPFSJMJNJ-GFCCVEGCSA-N 468.971 4.447 50 10 JIGE Cc1cc(C=C(C#N)C(=O)OCC(=O)Nc2ccc(CN3CCOCC3)cc2)c(C)n1CCC(C)C 2297492615 CQLSCDYJVGRVDE-UHFFFAOYSA-N 492.620 4.072 50 10 JIGE O=S(=O)(CCCCCCl)c1cc(I)ccc1Br 2300847150 OWDDKMVHBDDUFF-UHFFFAOYSA-N 451.551 4.237 50 10 JIGE CCOc1c(OC)cc(C=NNC(=O)c2ccc3nc(SC(C)C)[nH]c3c2)cc1[N+](=O)[O-] 2323607712 VRAJYKRDENZPGO-UHFFFAOYSA-N 457.512 4.143 50 10 JIGE CCOc1c(C=NNC(=O)c2ccc(Nc3nc(O)c4ccccc4n3)cc2)cccc1OC 2323766586 UXSSGANGFBOEOF-UHFFFAOYSA-N 457.490 4.250 50 10 JIGE COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c(Br)cc1OCC(=O)O 2860196 FKRRFFPUVOFOMK-WUXMJOGZSA-N 465.687 4.120 50 10 JIGE CC[C@@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2[C@H](C)CC)cc1 10294926 NCVXOECMBSKLIE-IAGOWNOFSA-N 457.596 4.092 50 10 JIGE COc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)cc1Br 14038673 SKXNRCAIWYFIKS-HNNXBMFYSA-N 469.335 4.353 50 10 JIGE O=C(COc1ccccc1Cl)NNC(=O)COc1ccc(-c2ccccc2)cc1Br 14642228 CSDIJUFTAHDNFA-UHFFFAOYSA-N 489.753 4.375 50 10 JIGE Cc1cc(OCC(=O)NNC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)ccc1Br 14665848 YEUQOXZMQGAFSG-HNNXBMFYSA-N 463.372 4.049 50 10 JIGE CCOc1cc(/C=N/NC(=O)C2CCCCC2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 33959211 OFMQYQAJWOIRKP-JVWAILMASA-N 484.549 4.361 50 10 JIGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)c1 40527358 OECLWNCUESGKPI-IZHWHUGBSA-N 460.461 4.425 50 10 JIGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)cc1 58894361 VFBAAEDIZPSCHM-YMCFUUGVSA-N 494.548 4.374 50 10 JIGE COC(=O)c1cc(/C=C(/C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc(C(=O)OC)c1 102938879 MHWIGRUJXOJLQU-NVMNQCDNSA-N 464.499 4.465 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)NC[C@@H]2CCC[C@@H]2CCl)cc1Br 155822911 OXGUGLZPYCHAQQ-MNOVXSKESA-N 459.631 4.453 50 10 JIGE COc1ccc(-c2nnc(SCC(=O)NN=C(C)c3ccncc3)n2-c2ccc(C)cc2)cc1 254745190 BGPCYNMFVRNEIP-UHFFFAOYSA-N 472.574 4.279 50 10 JIGE CC1(C)[C@@H](Br)CCN1C(=O)c1cc(Br)ccc1I 311050362 GPBPZJRPWHFHKM-NSHDSACASA-N 486.973 4.442 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CCS[C@H](CCCl)C1 721595091 SPMMEYYBGWGLPY-SNVBAGLBSA-N 474.589 4.240 50 10 JIGE O=C(NN=C1C(=O)N(CCOc2ccccc2)c2ccccc21)c1ccc(Br)cc1 1084277727 GFQLFUDBYHNUDT-UHFFFAOYSA-N 464.319 4.009 50 10 JIGE O=C(Nc1ccccc1C(=O)NN=Cc1cc(Br)ccc1O)c1ccccc1F 1084343089 DGOAZQQCDXMUHG-UHFFFAOYSA-N 456.271 4.310 50 10 JIGE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NN(C)C2CC2)c1 1162496173 RGIOHBMHCGPBMC-UHFFFAOYSA-N 454.379 4.114 50 10 JIGE O=C(N/N=C(/CNC(=O)c1ccco1)c1cccc(F)c1)Nc1ccc(OC(F)(F)F)cc1 1614015199 NDTYABFTRLBTIX-QRQIAZFYSA-N 464.375 4.273 50 10 JIGE Cc1nc(-c2ccc(Cl)cc2)ccc1C(=O)NNC(=O)c1ccc2c(c1)C(=O)N(C(C)(C)C)C2=O 1865755975 ZFRPPHZYWFNCGX-UHFFFAOYSA-N 490.947 4.180 50 10 JIGE COc1c(C)cc(C)cc1-c1csc(/C(C#N)=C(\O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)n1 1872755063 WQKYUEDRQKCEDZ-MNDPQUGUSA-N 490.497 4.433 50 10 JIGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N(C(C)(C)C)C3)n2)c(OC)c1OC 1872759326 KKDJOPRFSIEWGM-YSYRGXBVSA-N 457.552 4.276 50 10 JIGE CCCCOc1ccc(/C=N/NC(=O)COc2ccc3c(C)cc(=O)oc3c2)cc1OCC 1873793029 SJTLMHUYVOEOAI-CVKSISIWSA-N 452.507 4.208 50 10 JIGE CN(C[C@H](Br)COCc1ccccc1)S(=O)(=O)c1sccc1Br 1916353910 HGDACOQDNNYPJF-ZDUSSCGKSA-N 483.247 4.111 50 10 JIGE CC[C@@H](Br)C(=O)NCCCONC(=O)OCC1c2ccccc2-c2ccccc21 1953564148 KCBIIUOUNVPMDP-HXUWFJFHSA-N 461.356 4.137 50 10 JIGE CCOC(=O)Cc1ccc(CBr)c(C(F)(F)F)c1I 2055275519 LLWSTMLVPYIMFY-UHFFFAOYSA-N 451.020 4.311 50 10 JIGE BrC[C@@]12CCC[C@H]1CN(c1ncc(I)cc1Br)C2 2069535421 HKSKFASQHNDTPG-TVQRCGJNSA-N 485.989 4.450 50 10 JIGE CC1(C)[C@@H](CNC(=O)c2cc(Br)ccc2I)C[C@H]1Cl 2097953179 WZGFBZWEVQRJRT-PRHODGIISA-N 456.549 4.437 50 10 JIGE CC[C@H]1CN(C(=O)N2CCC(Br)CC2)[C@@H](CC)CN1C(=O)OCc1ccccc1 2106657442 FBCKBFNSGIZAHE-PMACEKPBSA-N 466.420 4.477 50 10 JIGE O=C(N[C@@H](CCl)c1cscn1)c1cc(I)ccc1Br 2119044065 AYGURZITUNETDB-JTQLQIEISA-N 471.545 4.220 50 10 JIGE F[C@]12CCC[C@]1(CCl)CN(c1ncc(I)cc1Br)C2 2133378313 NMOWPJINMGZJHH-STQMWFEESA-N 459.528 4.386 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CC[C@@H](CBr)C12CC2 2133832831 UEMSVXXDPCNQLE-VIFPVBQESA-N 498.984 4.443 50 10 JIGE O=C(Cc1ccccc1I)NC[C@@H]1CCCC[C@H](Br)C1 2163754109 PKXAWCXFWVYXSD-OCCSQVGLSA-N 450.158 4.294 50 10 JIGE Cc1c(CBr)cccc1S(=O)(=O)N1CCN(Cc2ccccc2)CC[C@H]1C 2179775781 ODMVEQQTZPFERD-QGZVFWFLSA-N 451.430 4.175 50 10 JIGE Cc1nc(-c2ncc(Br)cc2Br)nc(O)c1CCCBr 2187359463 JDJWPKXKUIFOPG-UHFFFAOYSA-N 465.971 4.405 50 10 JIGE CC(C)(C)OC(=O)N1CC[S@](=O)(=NCCCCCI)C(C)(C)C1 2211185556 KHGRJQJDBAJCOV-HSZRJFAPSA-N 458.406 4.089 50 10 JIGE CC1(C)CN(C(=O)Cc2cc(Br)cc(Br)c2)[C@@H]1CBr 2277916398 NOWFZMSUOIBJLJ-GFCCVEGCSA-N 454.000 4.386 50 10 JIGE O=S(=O)(C[C@@H](Br)c1ccc(Cl)c(I)c1)N1CCCCC1 2283583131 MPAGXWMERVMANC-LLVKDONJSA-N 492.604 4.196 50 10 JIGE C[C@]1(CNS(=O)(=O)c2cc(Br)ccc2Br)CCC[C@H]1Br 2286874825 DRJNXWXJASRIKD-CHWSQXEVSA-N 490.055 4.444 50 10 JIGE CC[C@@H]1[C@@H](Br)CCN1S(=O)(=O)c1cc(Br)c(C)cc1Br 2288910295 PHTAMSAZLJYMNC-JOYOIKCWSA-N 490.055 4.457 50 10 JIGE COc1cc(Cl)c([C@@H](Br)c2cnn(C)c2I)c(OC)c1 2294909875 YXDJOSBWTBWXMJ-LBPRGKRZSA-N 471.520 4.180 50 10 JIGE COc1ccc(C=C(C#N)C(=O)OCC(=O)N(CCc2ccccc2)Cc2ccccc2)cc1 2297356192 BDDHOTCZUPKVDA-UHFFFAOYSA-N 454.526 4.417 50 10 JIGE C=CCOc1cc(Br)c(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OC 2313568715 YBFICAYABGHVCI-UHFFFAOYSA-N 482.378 4.278 50 10 JIGE COc1ccccc1NC(=O)C(C#N)=Cc1c(Oc2ccccc2OC)nc2c(C)cccn2c1=O 2314532515 JWMFYYLVAHLMCI-UHFFFAOYSA-N 482.496 4.358 50 10 JIGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)c1cc(F)c(Br)cc1O 2317248062 SHMRBYZAOSJUHM-CYBMUJFWSA-N 475.152 4.346 50 10 JIGE COc1ccc(C(C#N)=Cc2cccc(OC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)c2)cc1 2320510972 HEZIMIKMKWKQMK-UHFFFAOYSA-N 462.527 4.229 50 10 JIGE O=C(N[C@H]1CC[C@@H]2C[C@]12CCl)c1cc(I)ccc1Br 2331770540 XRTDUXHSHCOEQN-CWONEXCFSA-N 454.533 4.191 50 10 JIGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC1(CCBr)CCCCC1 2364195353 OZESQULVXXKKGF-UHFFFAOYSA-N 499.471 4.250 50 10 JIGE CC(C)CC(=O)Nc1ccc(C(=O)NNC(=O)c2ccccc2OCCc2ccccc2)cc1 10509270 WDVLFESQACREEQ-UHFFFAOYSA-N 459.546 4.368 50 10 JIGE N#Cc1ccc(-c2ccc(OCC(=O)NNC(=O)c3cccc(OCc4cscn4)c3)cc2)cc1 16225934 FLCUSTKVDUJGJV-UHFFFAOYSA-N 484.537 4.101 50 10 JIGE O=C(NNc1ncnc(Nc2cccc(C(F)(F)F)c2)c1[N+](=O)[O-])c1ccc(Cl)c([N+](=O)[O-])c1 40648743 FDJQLSQSOIQNFS-UHFFFAOYSA-N 497.777 4.466 50 10 JIGE O=C(COc1ccc(Cl)cc1)N/N=C1\C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 40846353 HOLMVWHOQDRLDO-QYQHSDTDSA-N 454.313 4.440 50 10 JIGE O=S(=O)(NC1CCC(Br)CC1)c1cc(Br)ccc1Br 136793572 VSZTVHLYFGZSSA-UHFFFAOYSA-N 476.028 4.196 50 10 JIGE Cc1ccc(N)c(N/C=C(/C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 216508046 RFDVPJUEYFBRON-GFMRDNFCSA-N 451.574 4.330 50 10 JIGE C[C@H](Br)CCCNS(=O)(=O)c1cc(Br)ccc1Br 227802442 GIELMFSEHLONRE-QMMMGPOBSA-N 464.017 4.054 50 10 JIGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccccc3O)nnc2-c2ccc(C)cc2)cc1 254290587 JSJRUWMXRFEDOS-UHFFFAOYSA-N 473.558 4.199 50 10 JIGE C[C@H]1CN(Cc2ccccc2)CCN1S(=O)(=O)c1cc(CCl)sc1Br 382655589 IXFNQJWGHBBCJK-ZDUSSCGKSA-N 463.850 4.144 50 10 JIGE C[C@H]1[C@@H](C)N(Cc2ccccc2)[C@H](C)CN1S(=O)(=O)c1ccc(CBr)cc1 404260951 DJOXXVKNPOPCJB-KURKYZTESA-N 451.430 4.254 50 10 JIGE CC(=O)c1cnc(NC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)s1 1147763565 DFMVYJDKEZROCD-DHDCSXOGSA-N 450.911 4.322 50 10 JIGE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)Nc1ccc(Cl)cc1Cl 1448305204 VUZXDDDXUVHNPD-ZDUSSCGKSA-N 451.738 4.182 50 10 JIGE CC(C)=C1[C@H]2C=C[C@H]1[C@H](C(=O)NNC(=O)CSCc1c(C)c(C)c(C)c(C)c1C)[C@H]2C(=O)O 1615947974 CDRLIIQMJUROSX-VSQYNUGQSA-N 470.635 4.079 50 10 JIGE C#Cc1cccc(NC(=S)NNC(=O)Cc2cccc(NC(=O)OC(C)(C)C)c2Cl)c1 1633773758 SSPXHXZGPHJQGI-UHFFFAOYSA-N 458.971 4.229 50 10 JIGE COc1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1cccc([N+](=O)[O-])c1)CCC2 1772745832 JMLLVYHVLPYWHF-UHFFFAOYSA-N 462.462 4.228 50 10 JIGE O=C(COc1ccccc1Cl)NN=C1C(=O)N(Cc2ccccc2Cl)c2ccccc21 1772752412 IEHBIMHEDXNNJJ-UHFFFAOYSA-N 454.313 4.440 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Br)cc2)[C@@H]1c1ccccn1 1865700240 NSOBQFYFCMXGCU-AWEZNQCLSA-N 462.229 4.267 50 10 JIGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1cccc(OC)c1OC)C(C#N)=C(N)O2 1865700733 CCXQLMHNDKHWMK-LJQANCHMSA-N 481.350 4.433 50 10 JIGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(Cl)c2)cc(Cl)c1O 1865706968 KFGPGOMNZQXVFM-IBGZPJMESA-N 457.317 4.479 50 10 JIGE CC[C@](C)(NC(=O)CCSc1nnc(-c2ccccc2)n1C)C(=O)Nc1ccc(SC#N)cc1 1867076384 ZJSIONBXXRBXKN-DEOSSOPVSA-N 494.646 4.461 50 10 JIGE Brc1cc(I)cnc1N1CCCC[C@@H](Br)C1 1988530234 CGHKMIBYGCIXEL-MRVPVSSYSA-N 459.951 4.203 50 10 JIGE CCN(CC)S(=O)(=O)C[C@@H](Cl)c1cc(I)ccc1Br 2089390993 HEAUIEFAESOKJE-GFCCVEGCSA-N 480.593 4.005 50 10 JIGE CCN1CC[C@@H]([C@H](Br)c2cc(Br)ccc2Br)S1(=O)=O 2089522871 LLIWAJAVNWDBTO-NWDGAFQWSA-N 476.028 4.072 50 10 JIGE C=CCN(CC(=C)Br)S(=O)(=O)c1cc(CBr)oc1Br 2123210910 QXVIEAASMXOYLJ-UHFFFAOYSA-N 478.000 4.022 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CC[C@H](Br)[C@@H]2CC[C@H]21 2142278368 BQOMMHJVVZDRSC-XHVZSJERSA-N 498.984 4.442 50 10 JIGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CC2(CCC2)C[C@@H]1CBr 2151493505 ZUFHSOWLPZVHJT-MRVPVSSYSA-N 463.644 4.492 50 10 JIGE CN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(F)c(CBr)c1 2179784921 FWBHAUWMWAJFAP-UHFFFAOYSA-N 455.393 4.006 50 10 JIGE CN([C@@H]1CC[C@H]1OCc1ccccc1)S(=O)(=O)c1cc(CBr)n(C2CC2)c1 2179858107 JXVLNHQSQVXIDE-WOJBJXKFSA-N 453.402 4.086 50 10 JIGE C[C@H]1SCCC[C@H]1N(C)S(=O)(=O)c1cc(CBr)sc1Br 2197290382 HTFNFDFQTKYDEQ-PSASIEDQSA-N 463.282 4.310 50 10 JIGE O=S(=O)(c1cc(CBr)sc1Br)N1CCC[C@@H]1C(F)(F)F 2204359293 VRCBIQWIDJCRAT-MRVPVSSYSA-N 457.131 4.121 50 10 JIGE C[C@@H]1Cc2cc([C@@H](Br)c3nn(C)nc3Br)cc(Br)c2O1 2235267045 YQXCPLAGSQWXOO-LHLIQPBNSA-N 465.971 4.148 50 10 JIGE COCCCN1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(OC)cc4)cs3)cc2C1=O 2331273411 FADCIUJIXVSBLA-UHFFFAOYSA-N 475.526 4.401 50 10 JIGE Cc1ccc(C)c(-c2csc(C(C#N)=C(O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n2)c1 2331320088 HXLCMPQWSVKNFK-UHFFFAOYSA-N 460.471 4.424 50 10 JIGE CN(CC[C@H](Br)c1cccs1)C(=O)c1cc(I)sn1 2340658544 ZUPKSVACOWXXJG-QMMMGPOBSA-N 471.183 4.408 50 10 JIGE Nc1nonc1-c1nc2ccccc2n1CC(=O)NN=Cc1ccc(-c2cccc(Cl)c2Cl)o1 2181597 PSQFYJVSDDCEKO-UHFFFAOYSA-N 496.314 4.386 50 10 JIGE CCCOc1ccccc1C(=O)NNC(=O)COc1c(Cl)cc(Cl)cc1Br 9779854 NDBSMZHIHLTXQV-UHFFFAOYSA-N 476.154 4.385 50 10 JIGE COc1ccc(/C(C#N)=C\c2ccc(OC(=O)[C@@H](C)N3C(=O)c4ccccc4C3=O)cc2)cc1OC 31901081 PPQNFFRDPRNLRU-LCJWNIEWSA-N 482.492 4.358 50 10 JIGE CCCCc1ccc(Nc2ncnc(NNC(=O)Cc3ccc([N+](=O)[O-])cc3)c2[N+](=O)[O-])cc1 40581312 KNDAODOXPRDABJ-UHFFFAOYSA-N 465.470 4.065 50 10 JIGE CCOC(=O)c1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(O)cc2)CCC3)cc1 40812073 XUWCUFZPVBNELQ-VFCFBJKWSA-N 475.501 4.193 50 10 JIGE COc1ccc(/C=N\NC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)cc1Br 71433542 GPYSGMYSQGZAOU-MRUKODCESA-N 497.374 4.046 50 10 JIGE Cc1c(C(=O)NNC(=O)c2ccccc2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 101603588 GYUXPGYAFLTSSU-OVVQPSECSA-N 499.354 4.440 50 10 JIGE O=S1(=O)CC[C@@H](C(CBr)(CBr)Cc2ccccc2Br)C1 118875563 AGKZHTDPNSPZSN-GFCCVEGCSA-N 489.067 4.203 50 10 JIGE COc1cc(C=NNC(=O)CSc2nnc(SCc3ccc(C)cc3)s2)ccc1O 254738176 LBLUTXLLUOWNBT-UHFFFAOYSA-N 460.606 4.095 50 10 JIGE C[C@H]1CN(C(=O)c2cc(I)ccc2Br)C[C@H]1CBr 709085049 GNFLDHIJXUNNDO-DTWKUNHWSA-N 486.973 4.157 50 10 JIGE Clc1cc(I)c(OCCOCCBr)c2ncccc12 716376464 BWYPGGYOHVMEHT-UHFFFAOYSA-N 456.505 4.283 50 10 JIGE Cc1cc(C=NNC(=O)CN(c2ccccc2)S(C)(=O)=O)c(C)n1-c1ccc(Cl)cc1Cl 1084405096 JJLKUXVVPKYALB-UHFFFAOYSA-N 493.416 4.317 50 10 JIGE COc1cccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4ccc(Cl)cn4)c(C)c32)c1 1772748951 FPWMDHCICHFNEH-UHFFFAOYSA-N 452.898 4.368 50 10 JIGE C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)N/N=C/c4ccccc4Br)c(=O)c23)C1 1860774058 LIBBNDKHCFWSFU-RNLJWTIUSA-N 473.396 4.057 50 10 JIGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccn2)cc1OCC 1865689306 PEXKVVAYOMALCI-GOSISDBHSA-N 471.439 4.302 50 10 JIGE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1cc(OC)c(O)c(OC)c1)C(C#N)=C(N)O2 1865714126 DFKDGZOPEZYQLX-FQEVSTJZSA-N 466.925 4.088 50 10 JIGE C[C@H](Br)[C@@H]1CCCN1c1ncc(I)cc1Br 1990071562 UEAKXNAJILUOBQ-XVKPBYJWSA-N 459.951 4.201 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN=c1[nH]c2c(s1)CN(C(=O)OC(C)(C)C)C2 1994754187 FSMUQSPCRCGCQV-UHFFFAOYSA-N 476.690 4.134 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@@H]2CC[C@H](C1)C2Cl 2111474304 XILVHAYSFMGGSW-PHXKMMTBSA-N 454.533 4.143 50 10 JIGE O=C(c1cc(Br)cc(Br)c1)N1C[C@H]2CC(Br)C[C@@H]2C1 2128654089 BLDFQJLOOLGFQS-NXEZZACHSA-N 451.984 4.457 50 10 JIGE CSCC[C@@H](Br)CCNC(=O)c1ccc(I)c(C)c1 2142104548 YIAYGFLERSESOI-LBPRGKRZSA-N 456.187 4.236 50 10 JIGE O=C(NC[C@H]1CCCC[C@@H](Br)C1)c1ccc(I)c(O)c1 2163745729 LFSIQVUQQYBHJK-CMPLNLGQSA-N 452.130 4.070 50 10 JIGE O=S1(=O)CCC[C@@H]1[C@H](Br)c1cc(Br)c(Br)cc1F 2218598348 SQRBWTRFRBZSSC-GHMZBOCLSA-N 464.976 4.364 50 10 JIGE N#CC(=Cc1cccc(I)c1)c1nc2cc(Br)cnc2[nH]1 2293816419 JXHYAGUHGUPYJA-UHFFFAOYSA-N 451.065 4.389 50 10 JIGE COc1cccc(NC(=O)C(C#N)=Cc2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)c1 2294146953 KHAZNSNAYQYKTH-UHFFFAOYSA-N 459.458 4.045 50 10 JIGE N#CC(=Cc1c(Oc2ccc(Br)cc2)nc2ccccn2c1=O)C(=O)NCc1ccco1 2296543620 RQQKSRQEUXGLQQ-UHFFFAOYSA-N 491.301 4.066 50 10 JIGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])c(C)c1 2314737196 QTWLPBLCSGRPKB-UHFFFAOYSA-N 471.469 4.354 50 10 JIGE CCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)NC(C)C)cc2OC)cc1OC 2314739075 YTGNYCBEJVHSIS-UHFFFAOYSA-N 464.518 4.153 50 10 JIGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(Br)cc2)c(OC)c1 2314777580 KXWRIJLBWCAYKM-UHFFFAOYSA-N 487.350 4.265 50 10 JIGE ClC[C@@]12CC[C@@](NCc3ccc(I)c(Br)c3)(CO1)C2 2349836404 MBCGKOLMCZKGQG-KBPBESRZSA-N 456.549 4.074 50 10 JIGE CN(CC[C@@H](Br)c1cccs1)Cc1ncc(I)cn1 2353072257 RVJFJAVZPHZSGK-LLVKDONJSA-N 452.159 4.101 50 10 JIGE O=C(N[C@@H]1C[C@H](CBr)C12CCC2)c1cccc(F)c1I 2379717358 GELDIKBWRUPVQH-BXKDBHETSA-N 452.105 4.114 50 10 JIGE COC[C@]1(CBr)C=CCN1C(=O)c1cccc(Br)c1Br 2379837994 QDZSHMXCUQTWJF-CQSZACIVSA-N 467.983 4.004 50 10 JIGE Cc1ccc(NC(=O)CCC(=O)NNC(=O)COc2ccc3ccccc3c2Br)cc1C 12581571 TYNGBBVDHNVIRE-UHFFFAOYSA-N 498.377 4.164 50 10 JIGE C/C(=N/NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccc(-n2ccnc2)cc1 13132929 XHARPKGCLZIHDU-PKAZHMFMSA-N 493.976 4.481 50 10 JIGE CCCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccccc1C(C)C 14032962 JKJGNZZOILQEOU-UHFFFAOYSA-N 471.623 4.484 50 10 JIGE Cc1c(C(=O)NNc2ccccc2)oc2c1/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2 40825844 AVJDALIKQXGDOU-ZTKZIYFRSA-N 453.502 4.364 50 10 JIGE COc1cc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2Br)ccc1O 40910664 UFWLPRDHFSUSBF-ZMOGYAJESA-N 455.308 4.359 50 10 JIGE CCOC(=O)c1sc2ncnc(NNC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)c2c1C 96470018 BAWQJJFHLCWFEH-JTQLQIEISA-N 469.350 4.394 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OCCOc2ccccc2)C1 310598839 KMTCREWCFCOTGE-IBGZPJMESA-N 461.340 4.287 50 10 JIGE O=S1(=O)CCCC[C@H]1COc1c(Br)cc(Br)cc1CBr 694399966 BJAGPDXVTREDDB-NSHDSACASA-N 491.039 4.453 50 10 JIGE CSc1ccc(C=NNC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)cc1 1083946850 WYJOJFSNNYLMND-UHFFFAOYSA-N 467.616 4.371 50 10 JIGE O=C(COc1ccc([N+](=O)[O-])cc1)NN=C1C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21 1084061978 MOAYYTAASNMIHN-UHFFFAOYSA-N 499.310 4.348 50 10 JIGE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=S)Nc1ccc(OC(C)C)cc1 1176933422 NJEICQKMUYNNFM-GOSISDBHSA-N 450.605 4.041 50 10 JIGE C#Cc1cccc(N(CC(=O)NC)C(=O)/C(C#N)=C/c2cc(C)n(-c3ccccc3C)c2C)c1 1527172322 FIYJPAUONCAZAY-LFVJCYFKSA-N 450.542 4.070 50 10 JIGE CCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1cccc(Br)c1)C(C#N)=C(N)O2 1865683431 DFEVZVOIYZXCNH-LJQANCHMSA-N 451.324 4.424 50 10 JIGE Cc1nn(CC(C)C)c2c1[C@@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865701054 KPMCOICOKQRLNH-HNNXBMFYSA-N 482.176 4.296 50 10 JIGE O=C(N[C@@H](CCCl)C(F)(F)F)c1cc(Br)ccc1I 1918575466 KRGVDSGZNLAKMS-VIFPVBQESA-N 470.454 4.343 50 10 JIGE ClCc1nncn1-c1cc(Br)c(I)c(Br)c1 1938594356 PCLHDVWMSKUQAG-UHFFFAOYSA-N 477.325 4.136 50 10 JIGE Brc1cc(I)cnc1N1C[C@@H]2CC[C@H](Br)[C@H]2C1 2015764427 ARNWROMHMPTSEN-HGNGGELXSA-N 471.962 4.058 50 10 JIGE O=C(CBr)c1cc(OC(F)F)c(C(F)(F)F)cc1I 2060376266 APNWBXPUKPDCQG-UHFFFAOYSA-N 458.946 4.489 50 10 JIGE O=C(N[C@@H](CCBr)C(F)F)c1ccc(Br)cc1I 2086147748 RCBLCCHHQVVVHH-VIFPVBQESA-N 496.915 4.202 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1[C@H]2CC[C@@H]1C[C@H](Cl)C2 2098692976 BIQXUMGCVDLBSP-JGPRNRPPSA-N 454.533 4.428 50 10 JIGE C[C@H](Cl)C[C@H]1CCCCCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2145936020 DAXFEXFHEKFXJE-ZWKOTPCHSA-N 455.020 4.045 50 10 JIGE CN(C(=O)c1cccc(F)c1I)C1(CBr)CC(C)(C)C1 2164566346 BZURQHRKVSVJNU-UHFFFAOYSA-N 454.121 4.456 50 10 JIGE C[C@H](c1cscc1Br)N(C)S(=O)(=O)CCC(F)(F)CBr 2186579858 HWKSKZTYYSLKEJ-MRVPVSSYSA-N 455.184 4.254 50 10 JIGE C[C@H]1[C@@H](C(F)(F)F)N(CCCCCI)CCN1C(=O)OC(C)(C)C 2214708445 KHOMWFSEFCCZBO-STQMWFEESA-N 464.310 4.464 50 10 JIGE C[C@@H](CBr)CC1CN(C(=O)c2ccc(I)c(Cl)c2)C1 2230701072 VVQHZCLWPXZCKI-SECBINFHSA-N 456.549 4.438 50 10 JIGE C[C@H](Cl)c1nc2cncnc2n1-c1cc(Br)ccc1I 2235283942 MVDMGNUZESULRV-ZETCQYMHSA-N 463.504 4.482 50 10 JIGE Clc1cc(CN2C[C@@H]3OCCC[C@]3(CBr)C2)ccc1I 2238847754 DHWZAIFFVBACHX-GJZGRUSLSA-N 470.576 4.321 50 10 JIGE C=C1CC(CBr)(NC(=O)c2ccc(Br)cc2I)C1 2254213078 OUZMSVMFOJSDSB-UHFFFAOYSA-N 484.957 4.267 50 10 JIGE C[C@]1(CCl)C=CCCN1C(=O)c1cc(Br)ccc1I 2264394127 VQHHMWRHUKSMKG-CQSZACIVSA-N 454.533 4.453 50 10 JIGE CC[C@H]1CN(C(=O)c2ccc(Cl)c(I)c2)C[C@@H]1CBr 2268344824 MAXQBYASJVVHSL-ONGXEEELSA-N 456.549 4.438 50 10 JIGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(F)cc3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2293038425 BKIVVYFYXZYRMY-JOCHJYFZSA-N 461.518 4.470 50 10 JIGE COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1C=C(C#N)S(=O)(=O)c1ccccc1 2296542725 DTRPWNYJNNFPGS-UHFFFAOYSA-N 473.510 4.142 50 10 JIGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1 2314795993 MDYIQFHXNLKTML-GOSISDBHSA-N 498.963 4.104 50 10 JIGE Clc1cc(I)c([C@@H](Br)[C@H]2CCn3ncnc3C2)s1 2316777262 LJDNVXCYAVFHIH-WKEGUHRASA-N 458.550 4.296 50 10 JIGE CC(C)CNS(=O)(=O)c1ccc2nc(NC(=O)C(C#N)=Cc3cccc(Cl)c3)sc2c1 2329687415 MKAGEZPENYTPSU-UHFFFAOYSA-N 474.995 4.430 50 10 JIGE COc1ncc(Br)c(C)c1CO[C@H](CCl)[C@@H](I)CCl 2342361708 NPPWUWDASDMJHX-WDEREUQCSA-N 482.971 4.328 50 10 JIGE CC[C@@H](Oc1cccc(C)c1)C(=O)NNC(=O)COc1ccc2ccccc2c1Br 14023159 CLCYMVVRDLFBLT-LJQANCHMSA-N 471.351 4.295 50 10 JIGE Cc1cc(OCC(=O)NNC(=O)c2cccc(OCCOc3ccccc3)c2)cc(C)c1Cl 14040877 MOQUZEYZVSDKRV-UHFFFAOYSA-N 468.937 4.255 50 10 JIGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)c1 38687301 NNSCESRMSZTEAZ-XMMPIXPASA-N 466.449 4.239 50 10 JIGE CCc1ccccc1OCC(=O)Oc1ccc(/C=C(\C#N)C(=O)NCc2ccco2)cc1OC 40880119 QLALRKHDDMUSQJ-DEDYPNTBSA-N 460.486 4.058 50 10 JIGE CCOc1c(Br)cc(/C=N/NC(=O)COc2ccccc2Br)cc1OC 40911836 HIMICRYHHKIVAZ-UFFVCSGVSA-N 486.160 4.148 50 10 JIGE CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccccc2)C1=O 101341228 ZCLJGLPRNYHNKZ-LFVJCYFKSA-N 480.524 4.085 50 10 JIGE CC(C)[C@@H](CI)NC(=O)c1ccc(Br)cc1Br 232697146 ITHHQVWGNUEYIR-LLVKDONJSA-N 474.962 4.401 50 10 JIGE COc1cccc(COc2ccccc2C=NNC(=O)C(=O)Nc2sc3c(c2C#N)CCCC3)c1 254300417 WTRNMHWBSPOBNX-UHFFFAOYSA-N 488.569 4.175 50 10 JIGE O=C(Cn1c(-c2ccccn2)nc2ccccc21)NN=Cc1ccccc1OC(=O)/C=C/c1ccco1 254500325 UWIJKEIBGBDNPS-QRWOMWLYSA-N 491.507 4.460 50 10 JIGE C[C@@H]1CN(C(=O)c2ccc(I)c(Cl)c2)C[C@@H](C)C1Br 688081823 CZWVSDGHZUYXAT-RKDXNWHRSA-N 456.549 4.436 50 10 JIGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2cc(-c3cncc(F)c3)ccc2C)cc1 1669250985 OXMQCKPNMOIGSD-MRXNPFEDSA-N 450.470 4.019 50 10 JIGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(OCC)c(OC)c1)C(C#N)=C(N)O2 1865695403 OERARLMSXQXZGO-QHCPKHFHSA-N 460.534 4.459 50 10 JIGE CC1(C)CN(Cc2ccccc2)C[C@@H]1CNS(=O)(=O)c1ccc(CBr)cc1 1913122763 NRGHTCOLZLVUMN-IBGZPJMESA-N 451.430 4.018 50 10 JIGE O=C(N[C@H](CCBr)C(F)(F)F)c1ccc(I)c(Cl)c1 1918550037 GKWDCUAULFPDPH-SECBINFHSA-N 470.454 4.390 50 10 JIGE O=C(N[C@@H](CCCl)C(F)F)c1ccc(I)c(Br)c1 1918567629 MTRGEXHHQJFBJK-VIFPVBQESA-N 452.464 4.046 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OC[C@@H]2CCCCCO2)C1 1947244930 HDKZDWKTHJJARZ-YJBOKZPZSA-N 453.361 4.167 50 10 JIGE CC(C)(C)OC(=O)N(CCNS(=O)(=O)c1ccc(CBr)cc1)OCc1ccccc1 1977702538 LAZBOZDCLKNYFT-UHFFFAOYSA-N 499.427 4.229 50 10 JIGE O=S(=O)(NC[C@H]1C[C@@H]1CBr)c1c(Cl)cc(Br)cc1Cl 2117655081 AAWGMYIONUFLJL-RNFRBKRXSA-N 451.995 4.065 50 10 JIGE O=C(c1c(Br)cccc1Br)N1C[C@H]2C[C@@H](Br)C[C@H]2C1 2128635047 GCELCPYJDPKQIY-ILWJIGKKSA-N 451.984 4.457 50 10 JIGE C=C[C@]1(CBr)COCCN1Cc1ccc(Br)cc1Br 2135109149 UUUDBJMGAQIART-AWEZNQCLSA-N 454.000 4.364 50 10 JIGE O=C(c1cc(I)sn1)N1CCCC12CCC(Br)CC2 2137567638 BNQKPPYWKYHFNR-UHFFFAOYSA-N 455.159 4.060 50 10 JIGE O=S(=O)(c1ccc(Br)c(CCl)c1)N1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2144833652 XNABARMMCVHTFG-HDICACEKSA-N 469.832 4.225 50 10 JIGE C[C@H](Cl)c1nc(=N)[nH]c(=Nc2cc(Br)c(Br)c(Br)c2)[nH]1 2151791602 XTEHGEKJLBKGQA-BYPYZUCNSA-N 486.393 4.037 50 10 JIGE Clc1cc(C[C@]23CO[C@](CI)(C2)C3)ccc1I 2216263613 WLNGQCMUWHCPRV-BETUJISGSA-N 474.507 4.471 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@](CI)(O[C@@H]2CC[C@@H]3[C@@H]2C3(F)F)C1 2216575623 AIFZPRATUYYZAJ-NFFDBFGFSA-N 457.299 4.251 50 10 JIGE COc1cc(C)c(Br)cc1[C@@H](Br)c1nn(C)nc1Br 2226988504 ZOYYHFLZXYOXFS-SNVBAGLBSA-N 453.960 4.141 50 10 JIGE CC(C)N(CCOCCBr)C(=O)c1ccc(Cl)c(I)c1 2283651747 LKTOTAYBWGJSHK-UHFFFAOYSA-N 474.564 4.207 50 10 JIGE CC1=NN(c2ccccc2)C(=O)C1=CNc1ccccc1S(=O)(=O)C(F)(F)[C@@H](F)Cl 2296800627 KEUKGAJTGPTHKZ-GOSISDBHSA-N 457.861 4.306 50 10 JIGE O=C(N[C@@H](CCCl)COCc1ccccc1)c1ccc(F)cc1I 2303699606 ORRKCKVRMXLUMJ-HNNXBMFYSA-N 461.702 4.374 50 10 JIGE BrC[C@H]1[C@H]2CN(Cc3ccc(I)c(Br)c3)C[C@@H]12 2306222050 PBHDYMYAKCUSTQ-JGPRNRPPSA-N 470.974 4.126 50 10 JIGE COc1ccc(CCN2C(=O)C(=CNc3cccc(Cl)c3C)C(C)=C(C#N)C2=O)cc1OC 2314579505 VUEDSVRTAGGISE-UHFFFAOYSA-N 465.937 4.413 50 10 JIGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)CCCOc2cc(C)c(Cl)c(C)c2)cc1 2314785602 DLBSOJSSTBZXQB-UHFFFAOYSA-N 470.953 4.391 50 10 JIGE Clc1ccc(CN2CC[C@@]3(C[C@@H](Br)CO3)C2)c(I)c1 2341050513 NVSSPDNHINMFCY-BXUZGUMPSA-N 456.549 4.073 50 10 JIGE Clc1ccc(CN2CC3(C2)OCCC[C@@H]3Br)c(I)c1 2341059599 MLKXKFSGFMLXLB-ZDUSSCGKSA-N 456.549 4.073 50 10 JIGE Cc1cc(OCC(=O)NNC(=S)NC(=O)c2sc3ccccc3c2Cl)ccc1Cl 13979803 QOHYGHWGCHQWGB-UHFFFAOYSA-N 468.387 4.231 50 10 JIGE CCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1cc(C)ccc1C(C)C 14036217 RKNNUNHADZGVHD-UHFFFAOYSA-N 471.623 4.402 50 10 JIGE C=CCOc1ccccc1C(=O)NNC(=O)COc1ccc([C@H](C)CC)cc1Br 14832340 HDXAYYZUFIBNDZ-OAHLLOKOSA-N 461.356 4.367 50 10 JIGE Cc1c(C(=O)N(C)c2ccccc2)oc2c1/C(=N/NC(=O)c1cncc(Br)c1)CCC2 40823045 OUDQJJOXOXVIPM-NLRVBDNBSA-N 481.350 4.493 50 10 JIGE Cc1c(C(=O)NNC(=O)Cc2ccccc2)oc2c1/C(=N/NC(=O)c1cccc3ccccc13)CCC2 101602947 HYHCVTOHVVGGSR-JJKYIXSRSA-N 494.551 4.215 50 10 JIGE C[C@](CBr)(NC(=O)c1csc(I)c1)c1ccccc1 134441605 YPMBRWHRLWWGHF-CQSZACIVSA-N 450.139 4.393 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)NC[C@@H]2CC[C@H](Br)C2)cc1Br 227790383 ONNYGGCAADIEET-ZJUUUORDSA-N 490.055 4.362 50 10 JIGE FC(F)(F)Oc1c(Br)ncc(I)c1CBr 396180657 MXZCTFGMYRUHPP-UHFFFAOYSA-N 460.813 4.242 50 10 JIGE CC[C@@H]1CN(C(=O)c2cc(Br)ccc2I)C[C@@H]1Br 399967690 HGRCQRABJZHCJP-KCJUWKMLSA-N 486.973 4.299 50 10 JIGE Cc1cc(C(=O)COC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)c(C)[nH]1 818027694 FSLIHUXZMWFPEQ-WOJGMQOQSA-N 461.909 4.395 50 10 JIGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCc3ccccc3C#N)cc2)cc1 1084273286 PODVMMJOCBRELA-AREMUKBSSA-N 457.530 4.500 50 10 JIGE CC(=O)N[C@H](C(=O)NN(Cc1ccccc1)c1ccccc1)c1cccc(Br)c1 1264549132 QWCSKIMMMZTFHO-QFIPXVFZSA-N 452.352 4.364 50 10 JIGE CS(=O)(=O)c1ccc(-n2nc(-c3ccc(I)cc3)cc2CCl)cc1 1614817400 QTAQLSKOMIRWDZ-UHFFFAOYSA-N 472.735 4.286 50 10 JIGE Cc1c(C(=O)NNC(=O)c2ccco2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772748610 RRRDTTFNOOSEIC-UHFFFAOYSA-N 489.315 4.033 50 10 JIGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(OC)cc1)C(C#N)=C(N)O2 1865713111 QZRYYYPIQLLJFU-LJQANCHMSA-N 451.324 4.424 50 10 JIGE CC(C)c1cc(C(C)C)cc(N2C[C@H](C(=O)N3CCC[C@@H](C(=O)NNc4ccccn4)C3)CC2=O)c1 1872960033 AGOKCHMNNIPBSP-NFBKMPQASA-N 491.636 4.063 50 10 JIGE O=C(CBr)c1cc(C(F)(F)F)c(OC(F)F)cc1I 2060378550 YFTSALZGNBLIOD-UHFFFAOYSA-N 458.946 4.489 50 10 JIGE O=C(N[C@@H]1C[C@H](CBr)[C@H]2C[C@H]21)c1ccc(Br)cc1Br 2110550493 SPWPYYOPAQTHRE-GDECHXLSSA-N 451.984 4.361 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CC[C@@H](Br)[C@@H]1C1CC1 2130627751 OESCYMWMSDPEMI-MFKMUULPSA-N 498.984 4.442 50 10 JIGE COc1cc([C@H](Br)c2cc(Br)n(C)n2)c(OC)cc1Br 2150479861 XRXUVPSEOWRSPF-ZDUSSCGKSA-N 468.971 4.447 50 10 JIGE CN(C(=O)c1cccc(F)c1I)C1(CBr)CCSCC1 2171189317 BXBMMHVIXGYBIF-UHFFFAOYSA-N 472.161 4.163 50 10 JIGE Cc1cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC[C@H]2C)ccc1CBr 2179785978 TTYBESZMFVARMS-GOSISDBHSA-N 451.430 4.175 50 10 JIGE C[C@]1(F)CN(S(=O)(=O)c2cc(CCl)sc2Br)C[C@@]1(C)Br 2205654890 KRBLXRHFYKVKGN-MNOVXSKESA-N 469.623 4.136 50 10 JIGE CCc1ccc(C[C@H]2SC(=C(C#N)C(=O)NC)N(c3ccc(Br)cc3)C2=O)cc1 2296500294 BIQQWYJGESHKBV-LJQANCHMSA-N 470.392 4.184 50 10 JIGE COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1C=C(C#N)C(=O)NCc1ccccc1 2296542716 CVRJIRKJAFVOTK-UHFFFAOYSA-N 466.497 4.027 50 10 JIGE Cc1sc(Br)cc1S(=O)(=O)N[C@@H](CCCl)COCc1ccccc1 2303763224 JDUWTXFIPONCEJ-AWEZNQCLSA-N 452.823 4.312 50 10 JIGE BrCc1ccc(OCc2ncc(I)cn2)c(Br)c1 2327894372 RFFCZLWKLYISOY-UHFFFAOYSA-N 483.929 4.318 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@H]2CC[C@H](Br)[C@H]2C1 2328659184 XNBLXAPSHSZVNU-VWYCJHECSA-N 498.984 4.299 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@H]2CC[C@H](Br)[C@H]2C1 2333350095 GMGWESAYXAKMFO-ZHAHWJHGSA-N 498.984 4.299 50 10 JIGE Clc1ccc(CN2CCO[C@@H]3C[C@H](Br)C[C@@H]32)cc1I 2337219885 XRSJDIGWUBEKJS-DDTOSNHZSA-N 456.549 4.071 50 10 JIGE CCn1cnc(CC(CBr)(CBr)c2ccc(Br)cc2)n1 2367548754 VKVIBZJUUZYFGT-UHFFFAOYSA-N 466.015 4.331 50 10 JIGE CC(=O)Oc1ccc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1Br 6074011 UGNGRMCUGJJZSM-SDQBBNPISA-N 464.659 4.482 50 10 JIGE Cc1ccccc1O[C@H](C)C(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 13994281 BRFXOJPPLYVQGB-OAHLLOKOSA-N 463.372 4.049 50 10 JIGE COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)c1C 22153026 BWTAIRAFXXZNAX-PIYNUSRVSA-N 480.590 4.212 50 10 JIGE Cc1ccc2c(Nc3ncnc(NNC(=O)c4ccccc4Br)c3N)cccc2n1 40785057 OFYUCJJPUZSNRQ-UHFFFAOYSA-N 464.327 4.178 50 10 JIGE COc1ccc(C(=O)NNc2ncnc(Nc3ccc(Cl)c(C(F)(F)F)c3)c2N)cc1 40793598 SDWLEEFBWVEWJF-UHFFFAOYSA-N 452.824 4.240 50 10 JIGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)/C(C#N)=C/c1ccc(C(C)C)cc1 41013165 PKXJJBNSKJJDAR-RCJIYZEVSA-N 485.540 4.097 50 10 JIGE CC(C)(C)c1ccc(OCC(=O)N/N=C2/C(=O)N(Cc3cccc([N+](=O)[O-])c3)c3ccccc32)cc1 59151441 SIXPDHQFSXWXRT-XLVZBRSZSA-N 486.528 4.338 50 10 JIGE CCCCOC(=O)c1ccccc1N/C=C(/C#N)C(=O)N[C@H](C)c1ccc(OC)c(OC)c1 217171926 SBISWKCXBSQHHM-KAKMCVKYSA-N 451.523 4.357 50 10 JIGE C[C@@H](Br)CCCNC(=O)c1cc(Br)ccc1I 227713925 LMHTXGMQMIMDAC-MRVPVSSYSA-N 474.962 4.347 50 10 JIGE O=C(NN=Cc1ccc(OC(=O)c2cccc3ccccc23)c([N+](=O)[O-])c1)c1cccc(O)c1 254294951 UMHNZMFGUBJNAB-UHFFFAOYSA-N 455.426 4.437 50 10 JIGE O=C(CNc1cccc2ccccc12)NN=Cc1ccccc1OC(=O)c1ccc2c(c1)OCO2 254494610 GCTIIAVMSKJXGG-UHFFFAOYSA-N 467.481 4.350 50 10 JIGE COc1ccc(C=NNC(=O)CNc2c(Br)cc(C)cc2Br)cc1 254818700 KSTWYDROVHFRBW-UHFFFAOYSA-N 455.150 4.091 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)NC[C@H](CBr)C(C)C)cc1Br 394174635 NDJBGTMUVBVFEX-JTQLQIEISA-N 492.071 4.465 50 10 JIGE C[C@H](CBr)CN(C)C(=O)c1cc(Br)ccc1I 689002740 OWRMYXCAFPEANY-MRVPVSSYSA-N 474.962 4.157 50 10 JIGE O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)NN=Cc1ccc(Cl)cc1Cl 1083931616 OBVCJQYXQJQEHP-UHFFFAOYSA-N 462.358 4.339 50 10 JIGE Cc1c(C(=O)Oc2ccc(F)cc2)oc2c1C(=NNC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 1772744341 VCSWHJFWNKWTHH-UHFFFAOYSA-N 451.410 4.325 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccn2)[C@@H]1c1ccc(Br)cc1 1865715105 WEAMZNBNUFTROT-CQSZACIVSA-N 462.229 4.267 50 10 JIGE CC(C)[C@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1cccc2nsnc12 1915300061 LLNSBESZPSILRO-INIZCTEOSA-N 454.415 4.302 50 10 JIGE C=CC[C@@H](CBr)NC(=O)c1ccc(Br)cc1I 2026217885 NWOCDQUAMHFPNL-VIFPVBQESA-N 472.946 4.123 50 10 JIGE CCOC(=O)Cc1ccc(I)c(CBr)c1Br 2054978218 LTPKTRZWLMNJBV-UHFFFAOYSA-N 461.919 4.054 50 10 JIGE O=C(CBr)c1c(C(F)(F)F)ccc(I)c1OC(F)F 2060378518 XPGUGBLEWZCZLC-UHFFFAOYSA-N 458.946 4.489 50 10 JIGE C[C@@H]1[C@@H](CBr)CCN1C(=O)c1ccc(Br)cc1I 2086149162 KHOKNHBIINZSSK-RKDXNWHRSA-N 486.973 4.299 50 10 JIGE COc1cc(Br)c(C)cc1[C@H](Cl)c1cnn(C)c1I 2089733494 VPDNVRYDKIMAHP-LBPRGKRZSA-N 455.521 4.432 50 10 JIGE CC1(C)C[C@@H](Br)C[C@H](NC(=O)Cc2ccccc2I)C1 2143873404 RCMOUDWVLIHWQE-STQMWFEESA-N 450.158 4.292 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@H]2[C@@H](Br)CC[C@H]2C1 2144221944 NSNWHWWVZAHYRH-GDPRMGEGSA-N 488.039 4.006 50 10 JIGE CCCN1CC[C@H]([C@@H](Cl)c2cc(Br)ccc2I)S1(=O)=O 2145770146 LKMAHXAGNDTEKO-OLZOCXBDSA-N 492.604 4.148 50 10 JIGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1C[C@H]2C[C@@H](Br)[C@H]1C2 2177184205 ONUCPZNOWFENBF-FMTFEUNWSA-N 464.006 4.302 50 10 JIGE Cc1oc(C)c(S(=O)(=O)N(Cc2ccccc2)C2CCN(C)CC2)c1CBr 2179788562 DKQBVQWNNXAELJ-UHFFFAOYSA-N 455.418 4.076 50 10 JIGE CC(C)[S@](=O)(=NC(=O)[C@@H](Br)C1CCCC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2183216882 SHSDNEWTYGHTKU-DZLKFECGSA-N 465.454 4.353 50 10 JIGE CN([C@@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@@H]21)S(=O)(=O)c1cc(CBr)co1 2190548494 SWDFXFLLRDMORQ-CADBVGFASA-N 454.386 4.179 50 10 JIGE O=C(NC[C@@H]1CCC[C@H]1CBr)c1ccc(Cl)c(I)c1 2268355801 FRGNLAKPQJBANN-QWRGUYRKSA-N 456.549 4.486 50 10 JIGE N#CC(=Cc1c(Oc2ccc(Cl)cc2)nc2ccccn2c1=O)C(=O)NCc1ccccc1 2296543674 XFZHMQSQSPMGRA-UHFFFAOYSA-N 456.889 4.364 50 10 JIGE CCOC(=O)C(C#N)=CNc1scc2c(C(=O)OCC)nn(-c3ccc(C(C)(C)C)cc3)c(=O)c12 2297562557 ZWFUHHBBICGQOZ-UHFFFAOYSA-N 494.573 4.304 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@@H]2C[C@@H](Br)[C@H]1C2 2309940027 JUWWKLOBRDQMEJ-NYRNMGCKSA-N 484.957 4.052 50 10 JIGE CCc1cnccc1CO[C@@]1(CI)CCCN(C(=O)OC(C)(C)C)C1 2317788952 KOUZTTDILWFACS-LJQANCHMSA-N 460.356 4.365 50 10 JIGE Cc1cc(I)ccc1NC(=O)C(C#N)=CNc1ccc(Br)cn1 2325411953 KUBVJIPKOQERBL-UHFFFAOYSA-N 483.107 4.215 50 10 JIGE CC[C@@H](C)c1ccccc1O[C@@H](C)C(=O)NNC(=O)COc1ccc(Br)cc1C 9873496 BFQQBDYBQGJKRM-ZBFHGGJFSA-N 463.372 4.265 50 10 JIGE CC[C@@H](C)Oc1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2Br)cc1 10292354 CGKHGJPRTAJTMS-GFCCVEGCSA-N 455.736 4.120 50 10 JIGE Cc1cc(OCC(=O)NNC(=O)c2cccc(OCCc3ccccc3)c2)cc(C)c1Cl 10330808 ODGDDHFMSSKBMT-UHFFFAOYSA-N 452.938 4.418 50 10 JIGE CCCOc1ccc(C(=O)NNC(=O)COc2ccc(Cl)c(C)c2)cc1Br 14647224 DYGLRUWCKKFNDV-UHFFFAOYSA-N 455.736 4.040 50 10 JIGE CCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(NC(=O)CC(C)C)cc1 14652782 IGCFCGJNNSXNNK-UHFFFAOYSA-N 476.371 4.297 50 10 JIGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OCCOc1ccc(OC)cc1 33378873 BKLFCHMVAOYWKP-HKWRFOASSA-N 462.502 4.368 50 10 JIGE O=C(NNc1ncnc(Oc2ccc(Br)c3cccnc23)c1[N+](=O)[O-])c1ccc(F)cc1 40657972 TXTYHUNIQHPLTD-UHFFFAOYSA-N 499.256 4.384 50 10 JIGE Cc1cc2ncn(CC(=O)N/N=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c2cc1C 59152236 WJBBJNQLWZVKTR-RPPGKUMJSA-N 488.460 4.412 50 10 JIGE CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(Cl)cc1Cl)c1ccc2c3c(cccc13)CC2 59464005 XGNXHDBQHHHOSS-BRJLIKDPSA-N 476.385 4.162 50 10 JIGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C)C(=O)C(C#N)=C2C)cc1Cl 101332173 ONZVNIMSOYLDBY-YBFXNURJSA-N 458.905 4.423 50 10 JIGE O=C1N=C(NNC(=O)c2ccc(Br)cc2)N(c2ccccc2)/C1=C\c1ccccc1 109007597 PLFVVEKDRSAZDZ-HKWRFOASSA-N 461.319 4.127 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)NCCC[C@H](C)Br)cc1Br 227801743 QICHXLQTCCWYNE-VIFPVBQESA-N 478.044 4.362 50 10 JIGE CC(=NNC(=O)COc1c(Br)cc(C)cc1Br)c1cccc(N)c1 252620703 MKDCOQVJECTSRB-UHFFFAOYSA-N 455.150 4.021 50 10 JIGE CC1(C)[C@]2(C(=O)NNC(=O)[C@]34CC[C@](C)([C@H]3Br)C4(C)C)CC[C@@]1(C)[C@H]2Br 256020066 VBXBDLBJSFSXQO-CCVMMDFNSA-N 490.280 4.313 50 10 JIGE C[C@@H]1CN(Cc2ccccc2)CCN(S(=O)(=O)c2cc(CCl)ccc2Br)C1 323609287 KGFNHUIZSNYDPZ-MRXNPFEDSA-N 471.848 4.331 50 10 JIGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2cc(F)ccc2O)C1 382698736 MOUPEQIGDINYRC-WMLDXEAASA-N 455.267 4.319 50 10 JIGE Brc1ccc([C@@H]2CN(Cc3ccccc3)C[C@@H]2CI)nc1 394647537 SJVROPWRGGBRIZ-GOEBONIOSA-N 457.153 4.495 50 10 JIGE O=C(c1cc(I)ccc1Br)N(CCBr)CC1CC1 688419986 OHDPZKBKWWBSLD-UHFFFAOYSA-N 486.973 4.301 50 10 JIGE C[C@@H](Br)CCCNC(=O)c1ccc(I)c(Br)c1 721594625 QFKKJCLOVYYUCR-MRVPVSSYSA-N 474.962 4.347 50 10 JIGE CC(C)(C)c1csc(CCNC(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)n1 729622633 RPTCTBUMSLWIJH-UHFFFAOYSA-N 470.570 4.345 50 10 JIGE CS(=O)(=O)C[C@H](Cl)c1c(Br)sc(Br)c1Br 1924575844 GTMJRTVVPPWKPY-VKHMYHEASA-N 461.422 4.360 50 10 JIGE C[C@@H](Br)C1(NC(=O)c2ccc(Br)cc2I)CC1 2026216555 GLCDHHVHASYNAK-SSDOTTSWSA-N 472.946 4.100 50 10 JIGE O=C(Cl)c1cc(C(F)(F)F)cc(I)c1I 2060045110 YMBBJNXXPLDMNU-UHFFFAOYSA-N 460.358 4.294 50 10 JIGE C[C@@H]1CN(C(=O)c2ccc(Br)cc2I)CC[C@@H]1Br 2086147539 OIIPCBDUBFJQAL-KCJUWKMLSA-N 486.973 4.299 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CC[C@@H]2[C@H](CBr)[C@H]2C1 2093137009 HHFYOMJXFPWDDK-USWWRNFRSA-N 498.984 4.157 50 10 JIGE C[C@@]12CN(C(=O)c3cc(I)ccc3Br)C[C@@]1(CBr)C2 2109180799 BXZISYVPCFMOLY-KGLIPLIRSA-N 498.984 4.301 50 10 JIGE C[C@H]1CN(C(=O)c2ccc(Br)cc2I)C[C@@H](C)[C@@H]1Cl 2142289753 UACWCZNBWRYTDH-WOFXILAISA-N 456.549 4.389 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)NC[C@H](CBr)C2CC2)cc1Br 2146171744 AOYZNEYUSVIBFW-JTQLQIEISA-N 490.055 4.219 50 10 JIGE CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)c2ccc(CBr)cc2)CCC1(C)C 2162591523 LLYOVROAYDSYHD-OAHLLOKOSA-N 461.422 4.038 50 10 JIGE O=C(NC[C@]1(F)CC[C@H](CBr)CC1)c1cccc(I)c1 2178578979 FQTPZGZBKOLWAB-FUKZOUPISA-N 454.121 4.314 50 10 JIGE O=S(=O)(N[C@@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@@H]21)c1ccc(CBr)cc1 2190549091 WVYIGFUSXDGBNJ-IZZBFERCSA-N 450.398 4.244 50 10 JIGE C[C@]1(CCOCc2ccccc2)CCN1S(=O)(=O)c1ccc(CCBr)cc1 2197751470 GORQRQYEHYJSAH-OAQYLSRUSA-N 452.414 4.384 50 10 JIGE C[C@H](Cl)c1nc2cncnc2n1-c1ccc(Br)cc1I 2240000300 RGJNGRXVGQVLMP-ZETCQYMHSA-N 463.504 4.482 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@@H]2C[C@H](Br)[C@H]1C2 2312103411 LBRCWGXIRAPYRQ-INNHCVQGSA-N 484.957 4.052 50 10 JIGE N#CC(=Cc1cc(Br)cc(I)c1O)C(=O)Nc1ccccc1 2313511226 VBMOUTUCXLGERT-UHFFFAOYSA-N 469.076 4.305 50 10 JIGE CCCCCCCCCOc1ccc(C=NNC(=O)Cn2c(O)nc3ccccc3c2=O)cc1OC 2328808927 YZFYYWMUTSAZPX-UHFFFAOYSA-N 494.592 4.390 50 10 JIGE CC(C)[C@@H]1C[C@@H](Br)CN1S(=O)(=O)c1cc(Br)ccc1Br 2370736683 JYEMIDWARTVTFE-PWSUYJOCSA-N 490.055 4.394 50 10 JIGE N#C/C(=C/c1ccccc1OCc1ccccc1Cl)C(=O)Nc1ccc(S(N)(=O)=O)cc1 778229 LZKVOQJFMAQXTC-AQTBWJFISA-N 467.934 4.112 50 10 JIGE O=C(COc1ccc(Br)cc1Br)NNC(=O)Cc1cccc2ccccc12 12492573 XQOYATPRKLLPNU-UHFFFAOYSA-N 492.167 4.134 50 10 JIGE CC(C)(C)c1ccc(OCC(=O)NC(=S)NNC(=O)c2ccc(-c3ccccc3)cc2)cc1 13976358 MXNDAJVMEZLTSS-UHFFFAOYSA-N 461.587 4.366 50 10 JIGE CC/C(=N\NC(=O)CCC(=O)Nc1ccc(I)cc1C)c1ccccc1 27498055 UFSQDMSYYNRHTI-HAVVHWLPSA-N 463.319 4.249 50 10 JIGE COCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)C1=O 38606274 XEOCCELYOYNVFC-LFVJCYFKSA-N 466.541 4.477 50 10 JIGE COc1ccc(C(=O)NNc2ncnc(NN(c3ccccc3)c3ccccc3)c2[N+](=O)[O-])cc1 40646429 IZLDGUOOPYXVHK-UHFFFAOYSA-N 471.477 4.316 50 10 JIGE CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)cc1OC 40858386 FOAZNLGRRLMMCA-LDADJPATSA-N 496.545 4.045 50 10 JIGE CCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2)cc1 40927344 ZZIRTFBAOKJADM-NNFYUIBOSA-N 467.481 4.414 50 10 JIGE C[C@H](NC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1)c1ccccc1 59506893 ZCVPVKAWDWRJSA-AEIQVQRHSA-N 480.362 4.356 50 10 JIGE CCOc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(OC)cc3)nc3ccccn3c2=O)cc1 102684955 DDAFAWBWPVQPEO-VLGSPTGOSA-N 482.496 4.440 50 10 JIGE COc1cc(C=NNC(=O)c2cc(-c3ccc(OCc4ccccc4)cc3)n[nH]2)cc(OC)c1OC 254399640 BRENBTCPWHCYMG-UHFFFAOYSA-N 486.528 4.445 50 10 JIGE O=C(NN=Cc1c(F)cccc1Cl)c1ccc(C(=O)NN=Cc2c(F)cccc2Cl)o1 254868526 NNGAKUXVRFFSAG-UHFFFAOYSA-N 465.243 4.392 50 10 JIGE O=C(Cc1nc(CCl)cs1)Nc1ccc(Br)c(I)c1 388435425 VAQJPKXSJYRIFH-UHFFFAOYSA-N 471.545 4.430 50 10 JIGE C[C@H]1C[C@@H](C)CN(CCCCNC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)C1 920475814 GOPWQHJHOVKVMC-OTAICBLXSA-N 458.610 4.245 50 10 JIGE COc1cc([N+](=O)[O-])ccc1-n1nc(C)c(C=NNC(=O)CSCc2ccccc2Cl)c1C 1084474374 YPXWHTXMOKDPRG-UHFFFAOYSA-N 487.969 4.443 50 10 JIGE COc1cccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)c1OC 1614809455 GIXGVAOCVGOGHU-FUHWJXTLSA-N 481.330 4.491 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccn2)[C@@H]1c1cccc(Br)c1 1865684685 VURGXIGRGSTTPC-CQSZACIVSA-N 462.229 4.267 50 10 JIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(Cl)c2)cc(Cl)c1O 1865706969 KFGPGOMNZQXVFM-LJQANCHMSA-N 457.317 4.479 50 10 JIGE O=C(Cn1c(O)nc2ccccc2c1=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl 1873792950 VJYRLPJWDMTOSM-KKMKTNMSSA-N 497.338 4.138 50 10 JIGE CCOc1ccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1OCC 1873795290 WBZBHNDHSNTYID-UBYGEMSKSA-N 455.555 4.070 50 10 JIGE Cc1cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC[C@@H]2C)sc1CBr 1885142518 UAWSEBYSLIKAOW-INIZCTEOSA-N 457.459 4.237 50 10 JIGE O=C(NC1CC([C@@H](F)CBr)C1)c1cc(Cl)ccc1I 1906452504 DAMWHOUZLVVAKF-FBUXNDKQSA-N 460.512 4.186 50 10 JIGE O=C(N[C@H](CCBr)C(F)F)c1cc(I)ccc1Br 1918561173 SLYWVBGFBAZGDQ-SECBINFHSA-N 496.915 4.202 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC[C@H]2CCCCCO2)C1 1947244927 HDKZDWKTHJJARZ-CRAIPNDOSA-N 453.361 4.167 50 10 JIGE CC(C)(C)OC(=O)N1CC[C@@](COCc2ccccc2)(C(=O)NCC2CC(Br)C2)C1 1991435135 FNXSUAGOLAIMOM-MTNXOHHFSA-N 481.431 4.120 50 10 JIGE Brc1cc(I)cnc1N1CCC2(CC(Br)C2)C1 2015758484 IIYXMPWTZJTHFS-UHFFFAOYSA-N 471.962 4.203 50 10 JIGE O=C(NC1(CCBr)CCC1)c1ccc(I)c(Br)c1 2029623019 DYZBVKGWKQSASG-UHFFFAOYSA-N 486.973 4.491 50 10 JIGE CCOC(=O)Cc1ccc(CBr)c(I)c1OC(F)(F)F 2055275620 MWQJTNPSGRGOSC-UHFFFAOYSA-N 467.019 4.190 50 10 JIGE O=C(c1ccc(Br)cc1I)N1[C@H]2CC[C@@H](C2)[C@@H]1CCl 2142277732 UALPBHXPEJYDEO-FWDPORAESA-N 454.533 4.286 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@H]2CC[C@@]1(CBr)C2 2142278499 DLIFXYXDQNZANU-XPTSAGLGSA-N 498.984 4.443 50 10 JIGE O=C(NCC[C@@H]1CCCC[C@@H]1Br)c1cc(I)ccc1O 2179634458 GTXNEYMNWKJKDD-GWCFXTLKSA-N 452.130 4.070 50 10 JIGE CN(C[C@H](Br)COCc1ccccc1)S(=O)(=O)Cc1ccccc1Br 2218984445 RKQDGAPUIXEEKD-KRWDZBQOSA-N 491.245 4.191 50 10 JIGE Cc1ccc(C(=O)N[C@@H]([C@H](C)Br)C(F)(F)F)cc1I 2224627943 CANRUQLUBMJGPX-XVKPBYJWSA-N 450.036 4.044 50 10 JIGE CNC(=O)C(C#N)=C1S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(Cl)cc1 2293039243 SEROIOZAUZLWLU-KRWDZBQOSA-N 476.783 4.275 50 10 JIGE CC(C=Cc1ccccc1)=NNC(=O)[C@H](NC(=O)c1ccccc1)c1nnc(O)c2ccccc12 2296933575 VFIXWWCLEQHFKW-XMMPIXPASA-N 465.513 4.012 50 10 JIGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)C(c1ccccc1)c1ccccc1 2314792549 TXIGYMAKIAZADG-UHFFFAOYSA-N 482.536 4.198 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1[C@H]2CC[C@H]1[C@@H](F)[C@@H](Br)C2 2365584115 KTIGAYZOGLYJHG-JBSCMGISSA-N 472.523 4.423 50 10 JIGE Clc1ccc(CN2C[C@@H]3OCCC[C@@]3(CBr)C2)c(I)c1 2366704076 JLRGQIMDTRWCLW-LSDHHAIUSA-N 470.576 4.321 50 10 JIGE CC(C)(C)OC(=O)NCC[S@](=O)(=NC[C@]1(CBr)CC1(F)F)c1ccccc1 2379985784 VKXYBFMEGHFNID-XGCWNURASA-N 467.376 4.459 50 10 JIGE CC(C)CC(=O)Nc1ccc(C(=O)NNC(=O)c2cccc(OCCc3ccccc3)c2)cc1 10331627 JAFMCNXNRKCMHH-UHFFFAOYSA-N 459.546 4.368 50 10 JIGE Cc1cc(Br)ccc1OCC(=O)NNC(=O)COc1ccc(-c2ccccc2)cc1 13981627 ATLUXSBFVBYYRA-UHFFFAOYSA-N 469.335 4.030 50 10 JIGE CCOc1ccc(-c2n[nH]c(=S)n2CCC(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)cc1 17518474 YDJRZEZLIQJGRZ-UHFFFAOYSA-N 467.595 4.155 50 10 JIGE COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C(/C#N)C(=O)NC1CCCCC1 34759308 JYVFNDZVNFDNFQ-SDXDJHTJSA-N 458.518 4.160 50 10 JIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C)cc4)ccc32)cc(OC)c1OC 38660426 CKMSIQSUSYFSAU-DEOSSOPVSA-N 472.497 4.458 50 10 JIGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1 58893087 KQSKHMGIKZYMPP-BABSMXRMSA-N 467.478 4.226 50 10 JIGE O=C(CSc1nnc(CCc2ccccc2)n1-c1ccccc1)N/N=C/c1cccc([N+](=O)[O-])c1 58986817 YFJCNDXQLPYOMS-YZSQISJMSA-N 486.557 4.203 50 10 JIGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\Nc3ccccc3C(F)(F)F)C2=O)cc1 101233465 YPFTVJVFJJHFLO-XMHGGMMESA-N 455.436 4.461 50 10 JIGE CCCN(CCC)CN1C(=O)C(=NNC(=O)COc2cc(C)ccc2C(C)C)c2ccccc21 254744231 LOLWMDWYKIOBPL-UHFFFAOYSA-N 464.610 4.444 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CCC[C@@H](Br)C1 721591016 BNWNFXWTGQZUPV-SECBINFHSA-N 472.946 4.053 50 10 JIGE O=C(NC[C@H]1CCC[C@@H]1Br)c1ccc(I)c(Br)c1 721608290 GDPBXHDWZKDDMQ-ZJUUUORDSA-N 486.973 4.347 50 10 JIGE Cc1cc(/C=C(/C#N)C(=O)OCC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)c(C)n1-c1ccccc1F 728087001 PLRUTDHBZQZQTP-LELXDKESSA-N 487.487 4.286 50 10 JIGE CC(=NNC(=O)COc1c(C)cc(Br)cc1Br)c1cccc(N)c1 1083845925 NIZXDUREDCHSCJ-UHFFFAOYSA-N 455.150 4.021 50 10 JIGE O=C(NN=Cc1ccc(Br)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 1084192484 DYTKINNFIOIWRN-UHFFFAOYSA-N 452.308 4.117 50 10 JIGE CC(C)C(=O)NNC(=O)[C@@H](C)Sc1n[nH]c(NN=Cc2ccc3ccc4cccc5ccc2c3c45)n1 1084444558 YBRDNQNSBJSSRE-OAHLLOKOSA-N 499.600 4.432 50 10 JIGE Cc1occc1C(=O)Nc1cc(Cl)ccc1C(=O)NNC(=O)c1ccc(Br)cc1 1322436991 QMBOXOZQBCVEJB-UHFFFAOYSA-N 476.714 4.331 50 10 JIGE COCCCNC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772748453 QJEVSQUUEKEUES-UHFFFAOYSA-N 452.338 4.132 50 10 JIGE COc1ccc(CCC(=O)Nc2cc(C(=O)Nc3ccc(SC#N)cc3)ccn2)cc1OC 1860512716 SJFZQPGICAACBK-UHFFFAOYSA-N 462.531 4.496 50 10 JIGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Br)cc2)ccc1O 1865680693 SIPNZARYCVNJPY-HXUWFJFHSA-N 467.323 4.266 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@@H]2CC[C@@]2(CBr)C1 1903984865 TZBWKMVCHPGWKY-LKFCYVNXSA-N 498.984 4.301 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CC[C@H](Cl)C12CCC2 1914408670 LQRBZTSYTGRTNQ-LBPRGKRZSA-N 454.533 4.430 50 10 JIGE C[C@H]1[C@@H](Br)CCN1S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 1914423079 GRXXVEMNFNPQEV-XPUUQOCRSA-N 451.995 4.302 50 10 JIGE CN(C[C@H](Br)COCc1ccccc1)C(=O)c1ccc(Br)c(O)c1 1916384368 BBGPGUKQNUQOEH-HNNXBMFYSA-N 457.162 4.207 50 10 JIGE ClCc1cn(-c2cc(Br)c(I)c(Br)c2)nn1 1938595691 FGWVGMCYWULJQX-UHFFFAOYSA-N 477.325 4.136 50 10 JIGE O=C(N[C@H](CBr)C(F)(F)F)c1ccc(I)c(Cl)c1 2029992913 ICQMAQMRKKTZEA-MRVPVSSYSA-N 456.427 4.000 50 10 JIGE O=C(CBr)c1c(Br)cc(Br)cc1I 2054854978 FGHUTYNZIGTJJO-UHFFFAOYSA-N 482.735 4.394 50 10 JIGE COc1cncc(-n2nc(CBr)c(I)c2C(F)(F)F)c1C 2078933316 WMUQGYJBJJYYGW-UHFFFAOYSA-N 476.034 4.103 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@H]2C[C@H]1C[C@H]2Br 2086151934 UVKGWQMLUWRNIY-POZPLHJXSA-N 484.957 4.052 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CC=CC[C@H]1CBr 2086152529 BXPMDGFUUJWNAZ-JTQLQIEISA-N 484.957 4.219 50 10 JIGE CC1(C)CO[C@@H](CBr)CN1C(=O)c1csc(Br)c1Br 2111236347 LCUZGDMXDNHTHG-ZETCQYMHSA-N 476.028 4.288 50 10 JIGE O=S(=O)(NC[C@H]1C[C@H]1CBr)c1c(Cl)cc(Br)cc1Cl 2117655080 AAWGMYIONUFLJL-NKWVEPMBSA-N 451.995 4.065 50 10 JIGE CSCC[C@H](Br)CCNS(=O)(=O)c1c(C)sc(C)c1Br 2146555612 SZXXCUROUACVDP-SNVBAGLBSA-N 465.298 4.312 50 10 JIGE O=S(=O)(N[C@@H]1CCC[C@H]1CCBr)c1cc(Br)ccc1Br 2146773616 OPCBWNGMILXIRY-JOYOIKCWSA-N 490.055 4.444 50 10 JIGE O=C(c1ccc(I)cc1)N1CC[C@@](CBr)(C(F)(F)F)C1 2167676760 JKTRYZYWEHHJQF-LBPRGKRZSA-N 462.047 4.081 50 10 JIGE CC(F)(F)C[C@@H](CCl)NS(=O)(=O)c1cc(Br)ccc1Br 2169544971 RHXTZIVJZYBVCS-QMMMGPOBSA-N 455.546 4.143 50 10 JIGE C[C@H]1CCN(S(=O)(=O)c2cc(F)ccc2CBr)CCN1Cc1ccccc1 2179788650 FVZKFVKDNFFULW-INIZCTEOSA-N 455.393 4.006 50 10 JIGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CC2(CCC(Br)CC2)C1 2181092178 WPMRHVISBSINPF-UHFFFAOYSA-N 463.644 4.492 50 10 JIGE CC(C)(C)OC(=O)N1CCN(CCCCI)C[C@H]1CC(F)(F)F 2243589992 XQUJUVXIXTZUKD-GFCCVEGCSA-N 450.283 4.075 50 10 JIGE Cn1ncc(-n2c(CCl)nc3cc(F)c(Br)cc32)c1I 2280056009 HBQMXODEPRLJHV-UHFFFAOYSA-N 469.483 4.004 50 10 JIGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)C(=O)Nc1nccs1 2297390808 QEEDPHQPQRNWKC-UHFFFAOYSA-N 455.499 4.313 50 10 JIGE CNC(=O)C(C#N)=C1S[C@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccc(OC)cc1 2314593523 OJYRZNHAEDPXDR-QGZVFWFLSA-N 462.358 4.174 50 10 JIGE Cc1ccc(-c2csc3ncn(CC(=O)NN=Cc4c(Cl)nc5scc(C)n45)c(=O)c23)cc1 2325904527 NMTZATVAYSRKQO-UHFFFAOYSA-N 497.005 4.255 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1CC[C@@H](Br)C2(CC2)C1 2340062699 CFBXTPFLPBEQHX-GFCCVEGCSA-N 454.533 4.334 50 10 JIGE Cc1cc(OCC(=O)NNC(=O)c2ccccc2OCCOc2ccccc2)ccc1Br 14040585 KVZWXWNGWILMTG-UHFFFAOYSA-N 499.361 4.055 50 10 JIGE N#C/C(=C/c1ccc(OC(=O)c2ccccc2[N+](=O)[O-])cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1F 33930438 IASMZBZGOBUCND-PTNGSMBKSA-N 476.376 4.407 50 10 JIGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C)C(=O)C(C#N)=C2C)cc1F 38602883 FQYZQPVOGRFRGD-UDWIEESQSA-N 456.477 4.299 50 10 JIGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(F)cc4)ccc32)c1OC 38658754 WUSMVGPMUDBLOM-XMMPIXPASA-N 476.460 4.045 50 10 JIGE COC(=O)c1ccccc1N(C)C(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(OC)cc1)CCC2 40813791 ZDQOMGPUMQKHFJ-VFCFBJKWSA-N 489.528 4.130 50 10 JIGE O=C(CSc1nnc(CNc2ccccc2)n1-c1ccccc1)N/N=C/C(Cl)(Cl)Cl 59261611 FLHJOJRCKRBBGB-ZMOGYAJESA-N 483.812 4.444 50 10 JIGE Cc1cc(C)nc(SCc2ccc(C(=O)NNC(=O)CCc3c(F)cccc3F)cc2)n1 106119408 GKFGNHXJIIRMAQ-UHFFFAOYSA-N 456.518 4.058 50 10 JIGE CCn1ncnc1COc1c(Br)cc(CBr)cc1Br 234195812 GVPJRXQXWCJQPJ-UHFFFAOYSA-N 453.960 4.297 50 10 JIGE CCOc1cc(C=NNC(=O)CNc2ccc(C)cc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 254713164 BLYSXPDWYBGNGZ-UHFFFAOYSA-N 476.489 4.083 50 10 JIGE C[C@H](OC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1)C(=O)N(C)C1CCCCC1 761396162 BYORDCSTQBIDLD-XSLGSPGOSA-N 459.550 4.094 50 10 JIGE COCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)c1C 853510030 IEKRFVMCKYFSOY-DAOWHZPBSA-N 457.958 4.121 50 10 JIGE N#CCCn1cc(/C=C(\C#N)C(=O)N2CCCN(c3nccs3)CC2)c(-c2ccc(Cl)cc2)n1 920820672 DJOOUZNIIHMJHT-XDJHFCHBSA-N 492.008 4.220 50 10 JIGE O=C(CSc1nc2ccccc2[nH]1)NN=Cc1cc(Br)c(O)c(Br)c1 1084564156 UGZNWAZAUDEJIV-UHFFFAOYSA-N 484.173 4.036 50 10 JIGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(CC)nn2-c1ccc(OC)cc1 1865694628 ZYPNJFXJRHIPQE-JOCHJYFZSA-N 460.534 4.459 50 10 JIGE CN(C)[C@@H](C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1ccccc1 1866698962 UCBXPRRKHCDVBM-DNQXCXABSA-N 458.587 4.229 50 10 JIGE COC(=O)c1c(NC(=O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)sc(/C(C)=C/C#N)c1C 1873427063 FXDFWZWEGWFOSD-YHWWFLPASA-N 451.548 4.318 50 10 JIGE C[C@H]1CCCN(c2ncc(I)cc2Br)[C@@H]1CBr 2015763558 ZTCVLWRUIVQEOW-GZMMTYOYSA-N 473.978 4.449 50 10 JIGE O=C(N[C@H](CCl)c1cscn1)c1cc(I)ccc1Br 2119044066 AYGURZITUNETDB-SNVBAGLBSA-N 471.545 4.220 50 10 JIGE O=C(c1sccc1I)N1C[C@H]2CCC[C@@](CBr)(C2)C1 2134969745 MQSIXWOFAKHAPU-HZMBPMFUSA-N 454.171 4.380 50 10 JIGE C[C@@H]1CN(C(=O)c2ccc(Br)cc2I)C[C@]1(C)CCl 2142290004 WYMYHWRNNSJBGT-OTYXRUKQSA-N 456.549 4.391 50 10 JIGE C[C@H](Br)C[C@@H]1CCCCN1C(=O)Cc1ccccc1I 2143869352 YBIXEKPKOXJFGO-JSGCOSHPSA-N 450.158 4.388 50 10 JIGE O=S(=O)(NCc1scc(Br)c1Br)c1ccc(CCl)cc1 2150580468 CBUQGCROVBNKQQ-UHFFFAOYSA-N 459.612 4.490 50 10 JIGE C[C@H](NS(=O)(=O)c1cc(Br)ccc1Br)[C@H]1CCC[C@H]1Br 2167851655 HAVNSIXFMUFDMP-JMJZKYOTSA-N 490.055 4.442 50 10 JIGE O=S(=O)(NC[C@@H](Br)CC(F)(F)F)c1c(Cl)cccc1Br 2175691600 ZBBFBWVVWBEMCU-LURJTMIESA-N 459.509 4.097 50 10 JIGE CN(Cc1ccccc1)[C@H]1CCN(S(=O)(=O)c2cc(F)c(Cl)c(CBr)c2)C1 2179861433 HJLXQVCUTUMASK-INIZCTEOSA-N 475.811 4.269 50 10 JIGE C[C@@H]1[C@@H](O[C@H](CI)c2ccccc2Br)C2CCN1CC2 2198004963 ARHAPNNHMWLVRL-HFBAOOFYSA-N 450.158 4.425 50 10 JIGE C[C@@H](CCl)CC1CN(C(=O)c2cc(Br)ccc2I)C1 2230531671 KFXNUZNMSNWELE-SECBINFHSA-N 456.549 4.391 50 10 JIGE O=S(=O)(c1cc(CCl)oc1Br)N1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 2234716575 XBVMTWPPWFDYIR-IYBDPMFKSA-N 473.820 4.209 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1C[C@@H](Br)CC2(CC2)C1 2268350357 INIORCPMJKHDFF-JTQLQIEISA-N 454.533 4.334 50 10 JIGE CCCN(C[C@@H](C)Br)S(=O)(=O)c1cc(Br)ccc1Br 2272447094 YCTLUGYJCWEUMO-SECBINFHSA-N 478.044 4.396 50 10 JIGE COc1c([C@@H](Br)c2nn(C)nc2Br)cc(Br)c(C)c1C 2284589624 UEEIXHMDWXPTCQ-SNVBAGLBSA-N 467.987 4.450 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1CCC(CI)CC1 2317757564 CVQHQMSWPMTCHH-UHFFFAOYSA-N 489.522 4.232 50 10 JIGE CO[C@H]1C[C@@H](CBr)N(Cc2ccc(I)c(Br)c2)C1 2325213740 VNFNWEHZCKZJRL-QWRGUYRKSA-N 488.989 4.038 50 10 JIGE BrCC[C@H]1COCCN1Cc1ccc(I)c(Br)c1 2325214752 RXRBJXFYQYGCBR-NSHDSACASA-N 488.989 4.040 50 10 JIGE Cc1cc(I)ccc1NC(=O)C(C#N)=CNCc1ccccc1Cl 2325405873 IRFIPDVZGZEOFN-UHFFFAOYSA-N 451.695 4.389 50 10 JIGE CC(C)(CI)CN1C[C@@H](CCNC(=O)C(F)(F)F)c2ccccc21 2326666546 MTKXXLFBSBAACV-GFCCVEGCSA-N 454.274 4.120 50 10 JIGE CC(C)(CI)CN1C[C@H]2CC(F)(F)CC[C@]2(NC(=O)OC(C)(C)C)C1 2326668663 MRGZJWUADPMVNO-DYVFJYSZSA-N 472.358 4.462 50 10 JIGE Cn1cnc(Br)c1[C@@H](Br)c1cc(I)cc2c1OCC2 2337330498 PXPCAOLEQWGSTI-JTQLQIEISA-N 497.956 4.206 50 10 JIGE CC1(C)CO[C@H](CCl)CN1Cc1ccc(I)c(Br)c1 2349850244 ADIROICKHZMTKG-LLVKDONJSA-N 458.565 4.272 50 10 JIGE CC[C@H](Br)[C@H]1CCCCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364207245 ZQNNPPIPRLTAAM-VQTJNVASSA-N 499.471 4.201 50 10 JIGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@H]1CCCC[C@@H](Br)C1 2364213074 DOUTUSHDEKBZQK-ZWKOTPCHSA-N 499.471 4.106 50 10 JIGE Cc1cc(OCC(=O)NNC(=O)c2ccc(OCC(C)C)c(Br)c2)ccc1Cl 14652864 SITYDXMZANEOOQ-UHFFFAOYSA-N 469.763 4.286 50 10 JIGE O=C(N/N=C/c1cc(Br)ccc1O)/C(=C/c1ccccc1)NC(=O)c1ccccc1 15018475 HTJKXSWNESBWJC-KQQBXRMLSA-N 464.319 4.076 50 10 JIGE COc1cc(/C=N\NC(=O)c2cc(-c3ccc4c5c(cccc35)CC4)n[nH]2)ccc1OC(C)=O 33097094 SNTWYVQIPJMWLX-VYYCAZPPSA-N 454.486 4.026 50 10 JIGE N=C(CSS(=O)(=O)O)NCC12C[C@H]3C[C@@H](C1)CC(c1ccc(Br)cc1)(C3)C2 33894868 HNOGSWOJWKMFRG-BAUKFBFWSA-N 473.458 4.390 50 10 JIGE Cc1ccccc1OCC(=O)N/N=C1\C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21 59146328 RGVPNPHEKJHTHP-NFFVHWSESA-N 496.336 4.343 50 10 JIGE C[C@H]1CN(C(=O)/C(C#N)=C2/N=C(NC(=O)c3ccc(Cl)cc3Cl)c3ccccc32)C[C@@H](C)O1 102673613 YCXPLKUXWIZFDJ-ZUHDKUIOSA-N 483.355 4.054 50 10 JIGE CCOc1ccccc1OCC(=O)Oc1ccc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1OC 206398436 DOGGCROQDJRJRX-JCMHNJIXSA-N 486.524 4.302 50 10 JIGE O=C(N[C@@H]1CCCC[C@@H]1Br)c1cc(I)ccc1Br 232461128 MFXXESVBEJINOS-NWDGAFQWSA-N 486.973 4.490 50 10 JIGE C=CCn1c(CNc2ccccc2)nnc1S[C@@H](C)C(=O)NN=Cc1ccc(Cl)cc1 252602732 FKEUYNBLXPXOKF-INIZCTEOSA-N 454.987 4.361 50 10 JIGE CC(C)C(=O)NNC(=O)[C@H](C)Sc1nnc(-c2ccc3ccccc3c2)n1-c1ccccc1 253577044 WOONXCCIJXEBIV-KRWDZBQOSA-N 459.575 4.372 50 10 JIGE COc1cccc(NC(=O)C(=O)NN=Cc2c(OC(=O)c3ccc(C)cc3)ccc3ccccc23)c1 254441164 NHDCGHBTFOTCHK-UHFFFAOYSA-N 481.508 4.465 50 10 JIGE Cn1ncc([C@@H](Br)c2cc(Cl)cc3c2OCC3)c1I 379148563 DRTXEXJGTXJMLC-NSHDSACASA-N 453.505 4.097 50 10 JIGE O=C(CCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NN=Cc1cc(Br)ccc1O 1083909270 UZBPAKRKLMGSCQ-UHFFFAOYSA-N 489.248 4.424 50 10 JIGE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCSSC)c1 1436227915 AOIACYGELYKPER-UHFFFAOYSA-N 457.042 4.462 50 10 JIGE C=CCOc1ccc(CC(=O)NNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cc1 1539348020 XYRKPLDBTAVBAL-UHFFFAOYSA-N 452.514 4.108 50 10 JIGE COc1cccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4ccc5c(c4)OCO5)c(C)c32)c1 1772749955 SUVIWHWRLHKKGW-UHFFFAOYSA-N 461.474 4.048 50 10 JIGE CCc1cccc(CC)c1N1C[C@H](C(=O)NNC(=O)c2ccc(SCC(C)C)cc2)CC1=O 1865758134 LBMCJZGKPHXEKL-OAQYLSRUSA-N 467.635 4.374 50 10 JIGE COc1ccc(CC(=O)NNC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)nc2C)c(OC)c1 1865758955 BJPAJVPNHHPATQ-UHFFFAOYSA-N 474.344 4.385 50 10 JIGE CC(C)[C@H](C(=O)N[C@H](CO)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Cl)c(Cl)c1 1866992961 BOVIXUHYPBCBFJ-MOPGFXCFSA-N 466.390 4.422 50 10 JIGE COc1ccc(/C=N/NC(=O)CCc2nc3ccccc3[nH]c2=O)cc1OCc1ccc(Cl)cc1 1873496107 CTJSKZCJUYQMNJ-RWPZCVJISA-N 490.947 4.247 50 10 JIGE Cc1c(B(O)O)cc(C(=O)OC(C)(C)C)cc1N(C)C(=O)OCC1c2ccccc2-c2ccccc21 1887519054 LDNWOBLWDNHKNE-UHFFFAOYSA-N 487.361 4.015 50 10 JIGE Cc1nc(I)c(I)n1-c1cc(CCl)c(Cl)cn1 1941547377 XLGYXEIKOYCZIG-UHFFFAOYSA-N 493.901 4.177 50 10 JIGE CC[C@](C)(CBr)NC(=O)c1ccc(Br)cc1I 2026219094 VHKWFZRYYLYQOK-GFCCVEGCSA-N 474.962 4.347 50 10 JIGE O=C(c1sccc1I)N(CCBr)Cc1cccs1 2051445833 NPFQYRLFGSUTMW-UHFFFAOYSA-N 456.168 4.452 50 10 JIGE O=C(CCl)c1cc(I)c(I)c(OC(F)(F)F)c1 2060032416 QIOJJEHRQBKREH-UHFFFAOYSA-N 490.384 4.216 50 10 JIGE O=C(c1cc(I)ccc1F)N1CCC[C@@H](CCBr)CC1 2169664399 LWFZYGUJZGHGGP-NSHDSACASA-N 454.121 4.458 50 10 JIGE O=S(=O)(c1cc(Cl)cc(CBr)c1F)N1C[C@H]2C[C@H]1CN2Cc1ccccc1 2179861525 IMKUBLVYWHQTPA-SJORKVTESA-N 473.795 4.021 50 10 JIGE CC(C)(C)[C@H]1[C@H](Br)CCN1C(=O)c1ccc(F)cc1I 2185101448 YWIVBSUHOWYOGN-DGCLKSJQSA-N 454.121 4.454 50 10 JIGE O=C(Nc1ccc(Br)cc1I)N1CCC(Br)CC1 2223522964 BBYCWBZJEJLAHX-UHFFFAOYSA-N 487.961 4.445 50 10 JIGE Cn1cc([C@H](Br)c2ccc3c(c2Br)CCO3)nc1Br 2229751662 IQXVANUXTSCWTR-GFCCVEGCSA-N 450.956 4.364 50 10 JIGE ClCc1nc2cc(I)ccc2n1Cc1conc1Br 2230642730 PESFLPJKBWSJKN-UHFFFAOYSA-N 452.477 4.179 50 10 JIGE Cc1ccc(I)c(C(=O)N[C@@H](CBr)CC(F)(F)F)c1 2232163257 CLLGQKMVGAKMHX-MRVPVSSYSA-N 450.036 4.045 50 10 JIGE O=C(NN=C1c2ccccc2C(=O)[C@@H]1c1ccc(Cl)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 2297672109 FWRLEUDAKOIQQJ-LJQANCHMSA-N 464.821 4.271 50 10 JIGE C=CC[C@@H](Br)[C@@H]1CCN1c1ncc(I)cc1Br 2299358063 SLGUBGLCLSNQLN-KOLCDFICSA-N 471.962 4.367 50 10 JIGE COc1c(Br)cc(C)c([C@@H](Br)CS(C)(=O)=O)c1Br 2317427131 SCMDMGQIKXJDQP-QMMMGPOBSA-N 465.001 4.009 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@H]2CC[C@@H](Cl)[C@H]2C1 2328657386 WWHICYXXAHLETP-JFUSQASVSA-N 454.533 4.143 50 10 JIGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C\c1ccc(-c2ccc3c(c2)COC3=O)o1 12412626 GCDQSKACAQHQTP-UCQKPKSFSA-N 464.477 4.452 50 10 JIGE CCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)CCCC)cc1 14036252 MOWRVRGJZJZPOQ-UHFFFAOYSA-N 484.622 4.334 50 10 JIGE CC(C)CC(=O)Nc1ccc(C(=O)NNC(=O)c2ccccc2OCCOc2ccccc2)cc1 14040597 FYLMTTRYZFVDMZ-UHFFFAOYSA-N 475.545 4.204 50 10 JIGE CCCOC(=O)c1ccc(OCC(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2C(C)(C)C)cc1 14661778 LYMXPKYNYAQXJV-UHFFFAOYSA-N 498.620 4.454 50 10 JIGE COc1cc(/C=N\NC(=O)CCc2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 34988179 SBKDGNCCDJCGMG-QRQIAZFYSA-N 492.528 4.023 50 10 JIGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)cc1OC 38688600 ZGDJJCHXDFKPAE-VWLOTQADSA-N 496.475 4.248 50 10 JIGE O=C(NNc1ncnc(NN(c2ccccc2)c2ccccc2)c1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] 40646410 GDQZWIFKSKBUTL-UHFFFAOYSA-N 486.448 4.215 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1[C@H]2CC[C@H]1CC(Br)C2 160485656 PUPLSJKQQKJZJK-QWRGUYRKSA-N 488.039 4.291 50 10 JIGE O=C(N[C@@H]1CCC[C@@H]1Br)c1cc(Br)ccc1I 232464933 REPYABQTGBTCFM-GXSJLCMTSA-N 472.946 4.100 50 10 JIGE O=C(c1cc(I)ccc1Br)N(CCBr)C1CCC1 232486696 ZZMQPWSUNWFBCK-UHFFFAOYSA-N 486.973 4.443 50 10 JIGE O=C(NC[C@@H]1CCC[C@H]1CCl)c1cc(I)ccc1Br 236020362 SKCLVSMIIXOBDD-UWVGGRQHSA-N 456.549 4.439 50 10 JIGE C[C@@H]1CN(C(=O)CN2CCc3sccc3[C@H]2c2ccccc2)CCN1C(=O)C(C)(C)CCl 245325664 BUXHQTVXGMGAMJ-WZONZLPQSA-N 474.070 4.020 50 10 JIGE CC(CC(=O)N(C(C)C)C(C)C)=NNC(=O)COc1ccc(Br)cc1Br 252614163 JGMQGUHZNMECOW-UHFFFAOYSA-N 491.224 4.118 50 10 JIGE COc1ccc(NC(=O)C(=O)NN=Cc2c(OC(=O)c3cccc(C)c3)ccc3ccccc23)cc1 254618547 OVSZMDGWDNSQDA-UHFFFAOYSA-N 481.508 4.465 50 10 JIGE O=C(OCc1ccccc1)N1C[C@@H](c2ccc([N+](=O)[O-])s2)[C@@H](CI)C1 382730503 UDXWECNIZJHLNR-UONOGXRCSA-N 472.304 4.444 50 10 JIGE CC(C)n1nnnc1COc1c(Br)cc(CBr)cc1Br 697755495 ROGRENVVKWMXNK-UHFFFAOYSA-N 468.975 4.253 50 10 JIGE O=C(NNc1nc(-c2ccncc2)no1)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12 728072199 ZPQHQGLKCWUGMM-UHFFFAOYSA-N 457.425 4.108 50 10 JIGE N#CCCn1cc(/C=C(\C#N)C(=O)NCCOc2ccc(Br)cc2)c(-c2ccccc2)n1 744001173 FSAKXLYNIPBLHZ-XDJHFCHBSA-N 490.361 4.328 50 10 JIGE CC(=O)N(c1ccc(C)c(C)c1)c1nc(C=NNC(=O)c2cc(Br)cn2C)cs1 767330224 VIYQTIPQDAMTFW-UHFFFAOYSA-N 474.384 4.309 50 10 JIGE O=C(Cc1c[nH]c2ccccc12)NN=CC(=NNC(=O)Cc1c[nH]c2ccccc12)c1ccccc1 1084358860 KDKYRJMJWIDVGS-UHFFFAOYSA-N 476.540 4.057 50 10 JIGE Cc1cc(C)c(NC(=O)COc2ccccc2C=NNC(=O)C(=O)Nc2ccc(C)c(C)c2)c(C)c1 1084383787 WDLNGASDCCSQFZ-UHFFFAOYSA-N 486.572 4.335 50 10 JIGE C=CCn1cc(CNC(=O)/C(C#N)=C\c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)nn1 1129930706 QFIFDLSAYVCBBK-MFOYZWKCSA-N 455.349 4.402 50 10 JIGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@H](c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 1614633494 LAEMGOQXAUWWSZ-QAPCUYQASA-N 464.272 4.250 50 10 JIGE CCOC(=O)c1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc(OC)c2)CCC3)cc1 1772748788 DRXFIZJILAECML-UHFFFAOYSA-N 489.528 4.496 50 10 JIGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)c1OC 1865700919 HPXWTXUERLINBN-QGZVFWFLSA-N 474.414 4.325 50 10 JIGE COc1ccc(OCC(=O)NNC(=O)c2ccc(-c3ccc(F)cc3F)nc2C)c(C(C)(C)C)c1 1865759720 OWEBZEGXVICGER-UHFFFAOYSA-N 483.515 4.481 50 10 JIGE CCN(CC)CCNC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(Br)cc2)cc1 1866128792 MEQGZHSVPHNNLI-XDJHFCHBSA-N 469.383 4.066 50 10 JIGE CC(C)c1cc(C(C)C)cc(N2C[C@@H](C(=O)N3CCC[C@@H](C(=O)NNc4ccccn4)C3)CC2=O)c1 1872960035 AGOKCHMNNIPBSP-OFNKIYASSA-N 491.636 4.063 50 10 JIGE CN(CC(F)(F)CBr)C(=O)c1cc(I)ccc1Br 2033567447 VGPOJWYNFCXQPP-UHFFFAOYSA-N 496.915 4.156 50 10 JIGE O=C(COC(=O)C(=Cc1cccs1)c1cccs1)NNC(=O)c1ccc(Br)cc1 2040421552 DEZPNMPQOATYAS-UHFFFAOYSA-N 491.388 4.117 50 10 JIGE O=S(=O)(c1cc(CBr)sc1Br)N1CCC=C(Br)C1 2059267027 LEDVPVSEFNLWQL-UHFFFAOYSA-N 480.041 4.079 50 10 JIGE O=C(c1cc(Br)cc(Br)c1)N1C[C@H](Br)[C@H](C2CC2)C1 2090684712 KREOWQRVEKYGJM-STQMWFEESA-N 451.984 4.457 50 10 JIGE BrC[C@@H]1C[C@H]2OCC[C@@H]2N1Cc1ccc(Br)cc1Br 2092260314 FTDGLQILGSDNPF-FPMFFAJLSA-N 454.000 4.338 50 10 JIGE O=S(=O)(c1cc(CCl)oc1Br)N(Cc1ccccc1)CC1CCOCC1 2095814636 VEQRDCPKOWOADM-UHFFFAOYSA-N 462.793 4.398 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CC[C@]12C[C@@H](CCl)C2 2125794181 XFMFIVQBDRKIOW-KMHCFJFGSA-N 454.533 4.287 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CC[C@H](Br)[C@@H]2CC[C@H]21 2133724001 SYPSYGQIHLOZNJ-XHVZSJERSA-N 498.984 4.442 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@H](C2CC2)[C@@H](Cl)C1 2142279438 QDVNLSCXDKMXFY-NEPJUHHUSA-N 454.533 4.143 50 10 JIGE CC(C)(C)OC(=O)NCC[C@H]1CCCCN1S(=O)(=O)c1ccc(CBr)cc1 2163055052 CNNMZOZKFDUSOA-MRXNPFEDSA-N 461.422 4.040 50 10 JIGE O=S(=O)(c1ccc(CCBr)s1)N1[C@H]2CCC[C@H]1CN(Cc1ccccc1)C2 2182303780 LZDZSRAVHLANAE-ROUUACIJSA-N 469.470 4.113 50 10 JIGE CN(C[C@H]1C[C@@H](Br)C1)C(=O)[C@@H]1C[C@@H](C(F)(F)F)CCN1C(=O)OC(C)(C)C 2196908384 XIFWBJLOQHJJMO-FQUUOJAGSA-N 457.331 4.196 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1C[C@H]2CC[C@]2(CBr)C1 2268355081 XXXCNNSHBMFUHY-YGRLFVJLSA-N 454.533 4.192 50 10 JIGE O=S1(=O)CC[C@@H]([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)C1 2272739007 JUUUZEKHIAUGNG-MLUIRONXSA-N 482.966 4.361 50 10 JIGE CC(C)(C)CCN(CCBr)C(=O)c1ccc(I)c(O)c1 2289872684 VGWUSBDMNOGMKI-UHFFFAOYSA-N 454.146 4.270 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OC[C@]23C[C@H](CO2)C3(C)C)C1 2313356588 QPEAMVCFVLADMO-CCKFTAQKSA-N 465.372 4.023 50 10 JIGE C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)NN=Cc4ccc(F)c(Br)c4)c(=O)c23)C1 2325903264 NAEVGDIDJBOUDG-RYUDHWBXSA-N 491.386 4.196 50 10 JIGE O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)NN=Cc1ccc(F)c(Br)c1 2325903689 UJFZZPCFNGOOIL-UHFFFAOYSA-N 485.338 4.177 50 10 JIGE CC[C@]1(CCl)COCCN1Cc1ccc(I)c(Br)c1 2349827974 ZFXILJPCVHFELY-AWEZNQCLSA-N 458.565 4.274 50 10 JIGE Cn1nc(Br)c(Br)c1[C@H](Br)c1ccc2nc(O)[nH]c2c1 2364228515 NKLPZQFQIMPCQU-MRVPVSSYSA-N 464.943 4.011 50 10 JIGE Clc1ccc(I)cc1CN1C[C@H](Br)C[C@]2(CCCO2)C1 2380526019 VBBJHRVKMGEPBQ-IUODEOHRSA-N 470.576 4.463 50 10 JIGE Cc1cc(OCC(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)ccc1Br 12485294 KXMONEDJGFZPTF-UHFFFAOYSA-N 490.181 4.450 50 10 JIGE O=C(COc1ccc(Br)cc1Cl)N/N=C/c1cc(Br)ccc1O 13977848 UAAQENCALYBRKB-FBCYGCLPSA-N 462.525 4.100 50 10 JIGE CCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2C(C)C)cc1 14029702 VHWBPYVFDCRJLZ-UHFFFAOYSA-N 457.596 4.094 50 10 JIGE C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NNC(=O)COc1ccc2ccccc2c1 14644261 YAEFVFJENDKXMG-ZDUSSCGKSA-N 477.742 4.249 50 10 JIGE O=C(CCC(=O)c1ccc(Br)cc1)NNC(=O)COc1ccccc1-c1ccccc1 15878698 RAVRKZFUBUOFFI-UHFFFAOYSA-N 481.346 4.305 50 10 JIGE CNC(=O)/C(C#N)=C1/S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccc(Br)cc1 33389444 NMSKSJNLFCBHPZ-FABDANFUSA-N 476.783 4.275 50 10 JIGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)NNC(C)(C)C)c(C)c43)coc2c1C 40826803 CIHCBQXUJJSDDS-ZXVVBBHZSA-N 464.566 4.383 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2CC[C@H](CCBr)C2)cc1Br 125214399 XMKURQQMEMELLQ-JTQLQIEISA-N 490.055 4.316 50 10 JIGE O=c1[nH]c2ccc([C@@H](Br)c3cc(Br)c(Br)s3)cc2[nH]c1=O 128549413 OKOVNLJPCNLIPQ-SNVBAGLBSA-N 494.990 4.287 50 10 JIGE COc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1c(C)cccc1C 206406593 NSWBYHRMIKGCKE-NDENLUEZSA-N 460.486 4.113 50 10 JIGE O=C(NC[C@@H](Br)C1CCC1)c1cc(I)ccc1Br 315944667 ZENGZGQGYUPVNJ-GFCCVEGCSA-N 486.973 4.347 50 10 JIGE CC(=NNC(=O)[C@H](C)Nc1nc2ccccc2s1)c1ccc(OCC(=O)N2CCCCC2)cc1 730582388 DMJSCIKJBVFTNC-SFHVURJKSA-N 479.606 4.028 50 10 JIGE CCc1cc(C)cc(OCC(=O)NN=Cc2ccc(OCc3cccc(C(=O)O)c3)c(OC)c2)c1 1084310098 VTMGYLNVZBFVFC-UHFFFAOYSA-N 476.529 4.372 50 10 JIGE C=C(C)Cn1c(SCC(=O)NNc2ccc(OC(F)(F)F)cc2)nnc1-c1ccco1 1170213199 XNQJXRMVOQGESL-UHFFFAOYSA-N 453.446 4.248 50 10 JIGE Cc1c(C(=O)N(C)C2CCN(C)CC2)oc2c1C(=NNC(=O)c1cccc3ccccc13)CCC2 1772749194 XXQDFHCSEGKTDH-UHFFFAOYSA-N 472.589 4.378 50 10 JIGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1cc(OC)c(O)c(OC)c1)C(C#N)=C(N)O2 1865714291 GIWLALCYVQCTET-HXUWFJFHSA-N 484.915 4.227 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1CC[C@@H](Br)C12CCC2 1914447591 JJJQRCNATPZALR-GFCCVEGCSA-N 454.533 4.477 50 10 JIGE CN(C[C@@H](Br)COCc1ccccc1)c1ccc(S(=O)(=O)C(F)(F)F)cc1 1916335590 TXZANSMVRIVTRG-OAHLLOKOSA-N 466.319 4.397 50 10 JIGE BrCc1cc(Br)cc(Br)c1OCC[C@@H]1COCCO1 1916635782 IDBXJKCMTQKVCO-LLVKDONJSA-N 458.972 4.291 50 10 JIGE C=CC[C@@H](CBr)NC(=O)c1ccc(I)c(Br)c1 2019481906 VHFYHVLTFIGBQP-VIFPVBQESA-N 472.946 4.123 50 10 JIGE C[C@]1(NC(=O)c2cc(I)ccc2Br)CCC[C@H]1Br 2062574543 TWGGXJXBRKICKB-YPMHNXCESA-N 486.973 4.490 50 10 JIGE CCCN1CC[C@@H]([C@H](Cl)c2cc(Br)sc2Br)S1(=O)=O 2089512600 YYQIDOCHCGBZQM-WCBMZHEXSA-N 451.633 4.367 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CC[C@@H](Br)C2(CC2)C1 2093180709 MYSNTVBXDTZAFA-GFCCVEGCSA-N 498.984 4.443 50 10 JIGE C[C@H]1CN(C(=O)c2cc(I)ccc2Br)CC[C@@H]1CCl 2109040197 RRJAYFAVLVJVDN-VHSXEESVSA-N 456.549 4.391 50 10 JIGE C[C@@]12CN(C(=O)c3cc(I)ccc3Br)C[C@]1(CCl)C2 2109181973 JCDZDYPLUZKAEH-ZIAGYGMSSA-N 454.533 4.145 50 10 JIGE O=S(=O)(c1c(CBr)sc2ccccc12)N1CCN(Cc2ccccc2)CC1 2179831546 YGHXRRIAHGMRDD-UHFFFAOYSA-N 465.438 4.303 50 10 JIGE Cc1ccc(Br)c(C(=O)N[C@H](CCBr)COCc2ccccc2)n1 2303542453 DWLTYOUGAUWLHF-OAHLLOKOSA-N 456.178 4.253 50 10 JIGE COc1cccc2cc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)NC[C@@H]3CCCO3)oc12 2314450624 HPQKFEMCCZAINZ-QFIPXVFZSA-N 468.513 4.496 50 10 JIGE COc1cc(C=CC#N)ccc1OC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 2314795714 JISVEUCMTLNRAZ-QFIPXVFZSA-N 452.466 4.045 50 10 JIGE C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)NN=Cc4ccc(C(F)(F)F)cc4)c(=O)c23)C1 2325903184 DDOMPHDTEJGGMG-CHWSQXEVSA-N 462.497 4.313 50 10 JIGE O=C(N[C@H]1C[C@H](CBr)[C@H]2C[C@@H]12)c1cccc(Br)c1Br 2329876951 MAEWMMZAFJYPDU-LTGWCKQJSA-N 451.984 4.361 50 10 JIGE O=C(N[C@H]1C[C@H](CBr)[C@H]2C[C@@H]12)c1ccc(Br)cc1Br 2329878595 SPWPYYOPAQTHRE-OSWAYODCSA-N 451.984 4.361 50 10 JIGE FC(F)(F)c1cnc(N2C[C@H]3CC[C@H]2[C@H](Br)C3)c(I)c1 2377528246 XKPKDWCVOZCPOG-NMLBEHRDSA-N 461.063 4.457 50 10 JIGE CCc1cc(Br)c(OC)c([C@H](Br)c2nn(C)nc2Br)c1 2381247115 SXRQNGNLCMKUGB-JTQLQIEISA-N 467.987 4.395 50 10 JIGE CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NN=Cc2ccc(N(CC)CC)cc2)cc1 3232916 VVSRGQNRKZWRKO-UHFFFAOYSA-N 494.617 4.496 50 10 JIGE O=C(COc1c(Cl)cc(Cl)cc1Br)NNC(=O)c1ccc(Cl)cc1 9779649 UMOIXDUIAYNUFF-UHFFFAOYSA-N 452.519 4.249 50 10 JIGE COc1ccccc1O[C@H](C)C(=O)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 14006739 DAXJQQADBKYFCT-GOSISDBHSA-N 489.572 4.474 50 10 JIGE Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(/C#N)C(=O)Nc3ccccc3)cc2)cc1[N+](=O)[O-] 33932288 LIZMBWNYKXFXEH-AQTBWJFISA-N 463.471 4.217 50 10 JIGE O=C(CN1C(=O)/C(=C/c2ccc(-c3ccccc3)o2)SC1=S)Nc1nnc(CCl)s1 39793612 VLELADKUIWFIAU-ZSOIEALJSA-N 476.992 4.377 50 10 JIGE O=C(NNc1ncnc(NN(c2ccccc2)c2ccccc2)c1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 40646412 PJVMBIIAQWMDAF-UHFFFAOYSA-N 486.448 4.215 50 10 JIGE COc1cc2ccccc2cc1C(=O)N/N=C/c1c(C)nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1C 59157588 QNRVYKLMDKGJCO-DHRITJCHSA-N 488.460 4.231 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N[C@@H](C)CCCBr)cc1Br 136681681 KKJNCJFGMIHANN-VIFPVBQESA-N 478.044 4.362 50 10 JIGE CCOc1ccc(/C=N\NC(=O)c2ccc3[nH]c(Cc4ccc(OC)c(OC)c4)nc3c2)cc1 169925430 HUOFIDLYPIFHBK-YUMHPJSZSA-N 458.518 4.334 50 10 JIGE C=CCn1c(COc2ccccc2)nnc1S[C@@H](C)C(=O)NN=Cc1cc(Cl)ccc1O 252616827 KGHILLLLKWXIJN-HNNXBMFYSA-N 471.970 4.033 50 10 JIGE Cc1ccc(-c2nnc(SCC(=O)NN=Cc3ccccc3C(=O)O)n2-c2ccccc2)cc1 254592493 SUXWOASKNPTRFV-UHFFFAOYSA-N 471.542 4.183 50 10 JIGE C[C@@H](Br)c1cnnn1-c1ccc(Br)c(I)c1 309406145 IBMIFCMBGKJALM-ZCFIWIBFSA-N 456.907 4.090 50 10 JIGE COc1cc([C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)ccc1N 382684886 HIQKASOLVNDVSV-DLBZAZTESA-N 466.319 4.065 50 10 JIGE CC[C@H](CBr)N(C)C(=O)c1cc(I)ccc1Br 383254930 FKLDEEZAQAVADY-SECBINFHSA-N 474.962 4.299 50 10 JIGE CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2ccc(=NC(=O)c3ccccc3)nc2O)C[C@H]1N=[N+]=[N-] 616589638 OPSBPLNFWUBXLS-ZHALLVOQSA-N 470.606 4.318 50 10 JIGE N#CCCn1cc(/C=C(\C#N)C(=O)OCCOc2c(C#N)cnc3ccccc23)c(-c2ccccc2)n1 726361997 DBSNTLHHGDBECD-RCCKNPSSSA-N 488.507 4.413 50 10 JIGE O=C(COc1ccccc1-c1ccccc1)NNC(=O)C1CCN(c2nc3ccccc3s2)CC1 727293197 RGNYAOORTUOCMH-UHFFFAOYSA-N 486.597 4.406 50 10 JIGE C[C@H](OC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1)C(=O)NC1CCCCC1 782092300 DTMYSBRHHYYVRY-WFVLPUPGSA-N 479.968 4.405 50 10 JIGE C=CCOc1c(Br)cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1OC 1084255114 JTYNFGPECAMLJY-FQEVSTJZSA-N 491.382 4.385 50 10 JIGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1 1084534738 JROSNYSUVLGBPI-HSZRJFAPSA-N 463.534 4.185 50 10 JIGE COC(=O)c1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc(C)c2)CCC3)cc1 1772745081 RQJCZWHGZCIDPB-UHFFFAOYSA-N 459.502 4.406 50 10 JIGE Cc1c(C(=O)NC2CC(C)(C)NC(C)(C)C2)oc2c1C(=NNC(=O)c1ccc(F)cc1)CCC2 1772745409 YDXVJBJHMAWMSM-UHFFFAOYSA-N 468.573 4.237 50 10 JIGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccc(O)c(OC)c2)cc1 1865706430 WMAMXWRIRDNPPB-HSZRJFAPSA-N 466.497 4.480 50 10 JIGE COc1cc(/C=N/NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)ccc1OCc1ccccc1F 1873795731 ZGXUMACYTGZHJI-VATWTLTGSA-N 473.545 4.413 50 10 JIGE COc1ccc(C)cc1-c1csc(/C(C#N)=C(\O)CNS(=O)(=O)c2ccc(C)cc2)n1 1873920586 JGNIKNFLEWVMOM-ZZEZOPTASA-N 455.561 4.207 50 10 JIGE CCOc1c(OC(F)(F)F)cc(I)cc1C(=O)CBr 2055053120 ISVZVCLRDCFGSG-UHFFFAOYSA-N 452.992 4.166 50 10 JIGE O=S(=O)(c1cc(CBr)oc1Br)N(Cc1ccccc1)C[C@H]1CCCO1 2059265658 YVGAMMADKLGFSF-CQSZACIVSA-N 493.217 4.307 50 10 JIGE O=C(CBr)c1cc(I)cc(Cl)c1I 2060092519 ZZZXLCZKZNTWEA-UHFFFAOYSA-N 485.284 4.127 50 10 JIGE COCCN1C[C@H](Cc2cccc(Br)c2Br)[C@@H](Br)C1 2100730611 LLZPANCDOITXDS-AAEUAGOBSA-N 456.016 4.096 50 10 JIGE O=S(=O)(CCCOCc1ccccc1)N1CCC(CBr)(CC(F)F)CC1 2131786845 DWCKRKHYMCAGKE-UHFFFAOYSA-N 454.377 4.055 50 10 JIGE O=S(=O)(NC[C@@H](CBr)C1CC1)c1c(Cl)cc(Br)cc1Cl 2146172654 MJEBYHWEDXEJDV-MRVPVSSYSA-N 466.022 4.455 50 10 JIGE O=S(=O)(C1CC(OCc2ccccc2)C1)N1CCC[C@@]2(CBr)CCCC[C@@H]12 2165236816 BBWCZNYSVLWHMN-TZWRJOPASA-N 456.446 4.484 50 10 JIGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)c1ccc2c(c1)CCS2(=O)=O 2170067678 OUKJNOPLUSQDRS-LJQANCHMSA-N 450.398 4.078 50 10 JIGE C[C@H](NC(=O)c1cc(Br)cc(Br)c1)c1nnc(CBr)s1 2192615134 HNYCPIAWSDZRDF-LURJTMIESA-N 484.011 4.449 50 10 JIGE O=S(=O)(N[C@@H]1C[C@H]2CC[C@H]1[C@@H](Br)C2)c1cc(Cl)c(Br)s1 2204565378 RDGZMXGAVCTJDM-AZQAYCESSA-N 463.644 4.394 50 10 JIGE Clc1cc(CC23COC(CI)(C2)C3)ccc1I 2216253975 WLNGQCMUWHCPRV-UHFFFAOYSA-N 474.507 4.471 50 10 JIGE COCCN(C[C@@H](C)Br)C(=O)c1cc(Br)sc1Br 2259767772 GKOJNXFOWUTLQD-SSDOTTSWSA-N 464.017 4.145 50 10 JIGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1nn(C)nc1Br 2277990026 MFLPHQUMBRKZKS-MRVPVSSYSA-N 474.378 4.486 50 10 JIGE O=C(c1c(F)cccc1I)N1C[C@@H]2CC[C@H](Br)C[C@H]2C1 2282804655 CELJLHPXWMZROJ-DCAQKATOSA-N 452.105 4.066 50 10 JIGE CS(=O)(=O)C1CC(COc2c(Br)cc(CBr)cc2Br)C1 2285471846 ZQHGNBXIMYKCHA-UHFFFAOYSA-N 491.039 4.309 50 10 JIGE O=C(N[C@H](CCCl)COCc1ccccc1)c1cc(I)ccc1F 2303706455 BOLQZHZZFILIKX-OAHLLOKOSA-N 461.702 4.374 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@@H]2C[C@@H](Br)[C@H]1C2 2309940030 JVKSHKAPXVHWAF-NZXMKCKXSA-N 484.957 4.052 50 10 JIGE C[C@@H](CCCCCBr)NC(=O)c1c(Br)c(Br)nn1C 2338685448 ANSPHWQHZJKKNC-QMMMGPOBSA-N 460.008 4.019 50 10 JIGE COc1cc(-c2cc(C(=O)NN=Cc3cccc([N+](=O)[O-])c3)n[nH]2)ccc1OCc1ccccc1 2196178 GWTIPEFAPDVLRT-UHFFFAOYSA-N 471.473 4.336 50 10 JIGE CCCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(Cl)cc1 14649764 MEOKZMWVWWGXEY-UHFFFAOYSA-N 455.736 4.121 50 10 JIGE CCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(C)c(Br)c1 14652761 MUYARZZXYDOFBY-UHFFFAOYSA-N 470.161 4.384 50 10 JIGE CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(-c2ccccc2)cc1 14655659 JLMNFUWQGNITNA-UHFFFAOYSA-N 498.402 4.464 50 10 JIGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)/C=C\c2ccc(OC)cc2)cc1 33566159 XUFNHIBNIFDHAX-SXGWCWSVSA-N 455.580 4.003 50 10 JIGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(F)cc4)ccc32)c1 38684858 IHLBVQXVEJMVBR-VWLOTQADSA-N 460.461 4.427 50 10 JIGE Cc1c(C(=O)Oc2ccc(F)cc2)oc2c1/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 40812276 VCSWHJFWNKWTHH-XIEYBQDHSA-N 451.410 4.325 50 10 JIGE CCCCN(CCCC)CN1C(=O)/C(=N/NC(=O)c2ccc(OC)c(OC)c2)c2ccccc21 102939377 JWYMRVPAIMYKPK-SOYKGTTHSA-N 466.582 4.044 50 10 JIGE O=C(NN=Cc1cccc([N+](=O)[O-])c1)/C(=C/c1cccs1)NC(=O)c1ccccc1Cl 252621727 NFPRCDVOOJBIHT-VDFVIHNLSA-N 454.895 4.231 50 10 JIGE CO[C@@H]1[C@H](Br)C[C@H]1Oc1c(Br)cc([N+](=O)[O-])cc1Br 252844159 FQPMBCAXEZLEAJ-FXPVBKGRSA-N 459.916 4.049 50 10 JIGE C[C@H]1CN(C(=O)c2cc(Br)ccc2I)C[C@H]1CBr 709091733 ZSMRMKORELHQEW-DTWKUNHWSA-N 486.973 4.157 50 10 JIGE COc1cc(C=NNC(=O)c2cccc(Br)c2)ccc1OCc1ccc(C(=O)O)cc1 1084565280 NMBPBQDHVNVRFZ-UHFFFAOYSA-N 483.318 4.499 50 10 JIGE C#Cc1cccc(NC(=O)CNC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)c1 1125221719 IMIBYDMTJGETNO-BKUYFWCQSA-N 456.933 4.391 50 10 JIGE C#CCCCC(=O)NNC(=O)c1ccccc1SCC(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 1178772648 ADWLJEPHRBGJQX-SFHLNBCPSA-N 458.624 4.347 50 10 JIGE Cc1cc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Br)cc2)CCC3)no1 1772744445 DNDMVFAISXGXNB-UHFFFAOYSA-N 471.311 4.370 50 10 JIGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@@H](c2cccc(O)c2)C(C#N)=C(N)O3)cc1 1865681567 QNSRWPSYXOAWBN-QHCPKHFHSA-N 466.497 4.480 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc(Cl)c2)[C@@H]1c1ccccc1C(=O)O 1865704267 RMDSZSOEYZVKHC-OAHLLOKOSA-N 460.799 4.461 50 10 JIGE BrCc1ccc(N2C[C@@H]3OCCN(Cc4ccccc4)[C@H]3C2)cc1Br 2036446891 ZCNFDAULCJENRF-PMACEKPBSA-N 466.217 4.434 50 10 JIGE COC[C@@](C)(CCBr)NC(=O)c1cc(Br)c(Br)s1 2040243777 KVXWWKUKKSJUCM-LLVKDONJSA-N 464.017 4.193 50 10 JIGE O=S1(=O)C[C@H]2C([C@H](Cl)c3c(Br)sc(Br)c3Cl)[C@@H]2C1 2054220729 ZWAZTVHTYHMCTH-FXFZYULNSA-N 455.020 4.497 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@H](C2CC2)[C@@H](Br)C1 2090683311 AOJSTGRXPSQDOW-PWSUYJOCSA-N 498.984 4.299 50 10 JIGE O=C(Cc1ccccc1I)NC[C@@H]1CCCC[C@@H]1CBr 2143868612 PXEKSMXRCHJKBF-KGLIPLIRSA-N 450.158 4.151 50 10 JIGE CCN1CCC[C@H]([C@H](Br)c2cc(Br)ccc2Br)S1(=O)=O 2145757744 GMFJVPIIDQGLNM-CHWSQXEVSA-N 490.055 4.462 50 10 JIGE C[C@H]1CN(S(=O)(=O)c2ccc(CCl)cc2Br)[C@@H](C)CN1Cc1ccccc1 2152185169 TZMWXPVJVCJDAH-HOTGVXAUSA-N 471.848 4.471 50 10 JIGE O=C(c1ccc(F)cc1I)N1C[C@H]2CCC[C@]2(CBr)C1 2159408688 MWJJWYYAWPBHEP-BMIGLBTASA-N 452.105 4.068 50 10 JIGE CN(C(=O)c1ccc(I)c(O)c1)C1(CBr)CCCCC1 2170165915 NBVSIBMZEDXQEG-UHFFFAOYSA-N 452.130 4.167 50 10 JIGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cccc([N+](=O)[O-])c2)cc1 2297450814 OUSYJRIFYOBPFF-UHFFFAOYSA-N 485.544 4.362 50 10 JIGE CCCCOc1ccccc1C(=O)NNC(=O)COc1ccc(Br)cc1Cl 14032118 XOZJUYGNUWXNAP-UHFFFAOYSA-N 455.736 4.121 50 10 JIGE CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(Cl)cc2)cc1Br 14645984 SVLKFCUBTNACEU-UHFFFAOYSA-N 498.830 4.477 50 10 JIGE COc1ccccc1NC(=O)/C(C#N)=C\c1c(Oc2cccc(C)c2)nc2ccccn2c1=O 39858619 PSSGWYLMVNGLHJ-SDXDJHTJSA-N 452.470 4.350 50 10 JIGE CCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C(C#N)=C\c2ccc(OCCC)cc2)c(OC)c1 206429230 CYSRCCVHBQAXKD-URBBLPHHSA-N 473.529 4.430 50 10 JIGE N#C/C(=C/Nc1ccc(I)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 217234663 IGNUFWQRHKAOLI-KTKRTIGZSA-N 468.638 4.311 50 10 JIGE Cn1ncc(Cl)c1[C@@H](Br)c1cc(I)cc2c1OCC2 696432790 IZTGITQONFMTNX-NSHDSACASA-N 453.505 4.097 50 10 JIGE Cc1ccc([C@H](CNC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)N2CCCC2)o1 725743854 DDUJSYDMNNJWKW-KZVLXBEFSA-N 468.561 4.225 50 10 JIGE Cc1cc(C(C)(C)C)ccc1OCC(=O)NN=Cc1cc(Br)ccc1OCC(=O)O 1082990519 YYMLAOSPANOPAE-UHFFFAOYSA-N 477.355 4.048 50 10 JIGE O=C(CCc1ccc2c(c1)OCO2)NN=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 1083916392 XCUMTCJUDQNCOX-UHFFFAOYSA-N 478.417 4.107 50 10 JIGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1 1310189479 OJOJOVSGZCLUQO-KRWDZBQOSA-N 458.474 4.173 50 10 JIGE C#CCOc1cc(F)ccc1NC(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl 1562442198 YINLFYRGPFMELB-UHFFFAOYSA-N 454.285 4.156 50 10 JIGE C=CC1(CC(=O)NNC(=O)Nc2ccc(-c3ccccc3)cc2)CN(C(=O)OC(C)(C)C)C1 1625983702 PSXZCJAXKDWIRT-UHFFFAOYSA-N 450.539 4.320 50 10 JIGE COC(=O)c1ccccc1N(C)C(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(OC)cc1)CCC2 1772746732 ZDQOMGPUMQKHFJ-UHFFFAOYSA-N 489.528 4.130 50 10 JIGE COc1ccccc1C1(CNC(=O)/C(C#N)=C/c2cccc(Br)c2)CCOCC1 1866130778 LRXSUZMTVPUHSB-QGOAFFKASA-N 455.352 4.229 50 10 JIGE N#C/C(=C(/O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2ccc(F)c(F)c2)cs1 1872751807 ULGYDZJWMPBBQY-AQTBWJFISA-N 482.424 4.475 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)NC2([C@@H](C)Br)CC2)cc1Br 1913497218 GEYFZCYNSIAFSP-MRVPVSSYSA-N 476.028 4.114 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]2CC[C@H]21 1985351675 IYNHOHMBRAVFTN-BBWFWOEESA-N 461.694 4.270 50 10 JIGE CC(C)[C@H](CBr)NC(=O)c1ccc(Br)cc1I 2026221419 LLNXNQIYZWMNEG-NSHDSACASA-N 474.962 4.203 50 10 JIGE BrCc1ccc(Br)cc1N1C[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1 2036445252 KKUYJBLIWSMDNH-PMACEKPBSA-N 466.217 4.434 50 10 JIGE N#CC(C(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1)=C1NN=C2CCCCCN21 2042447246 VCQUCNCESVVZJO-UHFFFAOYSA-N 487.564 4.262 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@H]2C[C@@H](Br)[C@H]1C2 2057056712 JVKSHKAPXVHWAF-UPZJHPNMSA-N 484.957 4.052 50 10 JIGE O=C(N[C@H]1C[C@H](CCBr)C1)c1ccc(I)c(Br)c1 2078363005 BRJBDVIFBVQAHK-CZMCAQCFSA-N 486.973 4.347 50 10 JIGE COCCN(C)C[C@@H](Br)CCc1c(Br)cccc1Br 2099442880 OAAWXGHQMPMDFM-NSHDSACASA-N 458.032 4.486 50 10 JIGE O=S(=O)(c1ccc(Br)c(CBr)c1)N1CCC(=CBr)C1 2123365208 GVNMDGFHXWHCLT-UHFFFAOYSA-N 474.012 4.017 50 10 JIGE O=S(=O)(c1ccc(CCl)cc1Br)N1CCCN(Cc2ccccc2)CCC1 2152583282 CDPVIJGWDGSRLY-UHFFFAOYSA-N 471.848 4.475 50 10 JIGE C[C@H]1[C@H](Br)C[C@H]2CC[C@H]1N2C(=O)c1cc(I)ccc1F 2169660335 BKBBBUJLNWBQHT-NVBBAKCQSA-N 452.105 4.207 50 10 JIGE FC(F)(F)c1cnc(N2[C@H](CBr)[C@H]3CC[C@@H]2C3)c(I)c1 2178705973 NHIZYYYQWKZMKQ-JVUFJMBOSA-N 461.063 4.457 50 10 JIGE O=[N+]([O-])c1sc(CBr)cc1N1CC[C@H]2COC[C@@H](C1)N2Cc1ccccc1 2204520830 CPIZEAVEGUELAR-JKSUJKDBSA-N 452.374 4.031 50 10 JIGE Cc1cc(C(=O)N2CC(F)(F)C[C@]2(C)CBr)ccc1I 2207106860 OALZQDKWNZTWSS-CYBMUJFWSA-N 458.084 4.234 50 10 JIGE Cc1sc2ncn(CC(=O)NN=Cc3ccccc3Br)c(=O)c2c1-c1ccccc1 2325904176 OHBOZGJMYNMSJE-UHFFFAOYSA-N 481.375 4.346 50 10 JIGE Cn1nc(-c2ccccc2F)c(C#N)c1NC(=O)C(C#N)=Cc1cccc(Br)c1 2329699605 HQCYRWVJDZPJFJ-UHFFFAOYSA-N 450.271 4.406 50 10 JIGE CN(Cc1c(Br)cccc1Br)S(=O)(=O)[C@H]1C[C@H](CBr)C1 2366187395 JPEAEZQAYWWLNO-MGCOHNPYSA-N 490.055 4.147 50 10 JIGE COc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(C)cc3)nc3ccccn3c2=O)cc1 2401217 AHOBGUTWRDJAIV-SDXDJHTJSA-N 452.470 4.350 50 10 JIGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)Cc2cccc3ccccc23)cc1 13976983 OFBQBIYOOGGEQE-UHFFFAOYSA-N 496.592 4.279 50 10 JIGE O=C(Cc1ccc(Cl)cc1)NNC(=S)NC(=O)CCCOc1ccc(Cl)cc1Cl 14003212 SPBWJDKIPYBIGJ-UHFFFAOYSA-N 474.797 4.070 50 10 JIGE CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)NCCCOC(C)C)cc1 102990892 XISXBCPOZNZECD-PGMHBOJBSA-N 474.561 4.196 50 10 JIGE O[C@H](CBr)COc1c(Br)cc(Br)cc1Br 163103500 SCGJQWKHMGAQTH-ZCFIWIBFSA-N 467.777 4.109 50 10 JIGE Nc1c(OCCCCCCI)cc(O)c2c1C(=O)c1ccccc1C2=O 206301478 IYLWOMMBQLAKCB-UHFFFAOYSA-N 465.287 4.124 50 10 JIGE Cc1ccc(CCN/C=C(/C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 216510443 UTQWXQXLLWUJIK-NFFVHWSESA-N 464.613 4.468 50 10 JIGE COc1cc(C[C@@H](Br)c2cc(Cl)ccc2I)ncn1 234986346 MTZHXAGCTJOBPD-LLVKDONJSA-N 453.505 4.422 50 10 JIGE C=CCc1ccc(OCCOc2ccc(C=NNC(=O)c3ccncc3)cc2OC)c(OC)c1 252614171 JGQPTZGERDICIL-UHFFFAOYSA-N 461.518 4.049 50 10 JIGE COc1cc([N+](=O)[O-])ccc1-c1ccc(C=NNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)o1 254815034 ZMXWIYYEXKYKHB-UHFFFAOYSA-N 496.479 4.482 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CC2CC1(CBr)C2 694578039 CDBZGBNGOWWYPT-UHFFFAOYSA-N 484.957 4.053 50 10 JIGE CC(=O)c1cccc(O[C@H](C)C(=O)NNC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1 1124423986 MHDWNUZHVRAHPA-GOSISDBHSA-N 453.498 4.333 50 10 JIGE COc1ccc2[nH]cc(/C=N/NC(=O)Cn3cnc4scc(-c5ccc(C)cc5)c4c3=O)c2c1 1860772623 BQYBRJLJELFMAQ-IPBVOBEMSA-N 471.542 4.074 50 10 JIGE CS(=O)(=O)c1ccc2nc(NC(=O)/C(C#N)=C/c3ccc(Br)cc3)sc2c1 1866129110 CNMWMQGXNZOYGO-XYOKQWHBSA-N 462.350 4.008 50 10 JIGE O=C(NNc1ccccn1)[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(C3CCCCCCCCCCC3)C2)C1 1872961616 MJVHRWRWXRIMSY-XZOQPEGZSA-N 497.684 4.285 50 10 JIGE O=C(c1cc(I)ccc1F)N(CCBr)Cc1ccccc1 1956741005 QMVOHDFQOGVJAL-UHFFFAOYSA-N 462.100 4.468 50 10 JIGE C[C@@H]1CC[C@@H](CBr)CN1c1ncc(I)cc1Br 2015762527 MEACFQIUBKCCGH-BDAKNGLRSA-N 473.978 4.449 50 10 JIGE O=C(Cl)/C=C/C(=O)Nc1cc(Br)c(I)c(Br)c1 2020470486 AQNUTRIUODUYOJ-OWOJBTEDSA-N 493.320 4.076 50 10 JIGE CCOC(=O)Cc1c(Br)ccc(I)c1CBr 2054975236 NVBMNUKLRYBOOT-UHFFFAOYSA-N 461.919 4.054 50 10 JIGE CN(C[C@@H](Br)COCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1F 2057401623 JDSTTXLVIDSACT-CQSZACIVSA-N 450.757 4.080 50 10 JIGE O=C(c1cc(Br)c(Br)s1)N1[C@H](CBr)C[C@@H]2OCC[C@H]21 2090529103 AXFDYQXYYAEQEZ-ZQARSLAVSA-N 474.012 4.040 50 10 JIGE C[C@@]12CN(C(=O)c3ccc(I)c(Br)c3)C[C@@]1(CCl)C2 2109189009 ZFULWKXLYITNHM-KGLIPLIRSA-N 454.533 4.145 50 10 JIGE O=C(c1ccc(Br)cc1I)N1[C@H]2CC[C@@H](C2)[C@@H]1CBr 2142278699 GWESXMOXPIUTRW-FWDPORAESA-N 498.984 4.442 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@@H](Br)CC2(CC2)C1 2142280871 KCLKCJMXIHHGGR-JTQLQIEISA-N 498.984 4.443 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CCC12CC(CBr)C2 2142284517 DIWIRRUTBPEQOP-UHFFFAOYSA-N 498.984 4.443 50 10 JIGE CC(C)(C)[C@@H]1[C@H](Br)CCN1C(=O)Cc1ccccc1I 2185110342 OLLAUZGAOKRSSM-DOMZBBRYSA-N 450.158 4.244 50 10 JIGE C[C@@H]1[C@@H](O[C@@H](CI)c2ccc(Br)cc2)C2CCN1CC2 2198012572 QEZLOIKOQUIPRD-XFBWCDHKSA-N 450.158 4.425 50 10 JIGE Cc1cc(CCl)cc(-n2c(C)nc(I)c2I)c1 2215786149 LADVSMATXJXWRW-UHFFFAOYSA-N 472.495 4.437 50 10 JIGE Clc1cc(CN2C[C@H]3OCCC[C@@]3(CBr)C2)ccc1I 2238847755 DHWZAIFFVBACHX-HUUCEWRRSA-N 470.576 4.321 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1C2CCC1(CBr)CC2 2268341477 DVNLSQXTHIXQRT-UHFFFAOYSA-N 454.533 4.477 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N[C@@H](CBr)c1cscn1 2295311338 JMDRYKDEEYOOML-NSHDSACASA-N 483.023 4.463 50 10 JIGE O=S(=O)(N[C@H](CCBr)COCc1ccccc1)c1ccc(F)c(Br)c1 2320405749 FHCSJYBPIYYBMK-CQSZACIVSA-N 495.208 4.237 50 10 JIGE COc1ccc(CNC(=O)C(C#N)=CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 2324840772 LDMCBGWNHATKSH-UHFFFAOYSA-N 466.585 4.126 50 10 JIGE O=C(N[C@H]1C[C@@H](CBr)[C@H]2C[C@@H]12)c1ccc(I)c(Br)c1 2329878109 NEKANHNXQATWRK-WTBMIXGQSA-N 498.984 4.203 50 10 JIGE Clc1ccc(CN2C[C@H]3OCCC[C@@]3(CBr)C2)cc1I 2362376156 RIEKIDSDOWUQCO-HUUCEWRRSA-N 470.576 4.321 50 10 JIGE O=C(c1scc(Br)c1Br)N1CC2(CCOCC2)[C@@H]1CBr 2381131969 URUHUGMEYCUDRV-VIFPVBQESA-N 488.039 4.289 50 10 JIGE CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C/c2ccc(OC)cc2OC)c(OCC)c1 936449 UQYXJRJVBFMAEU-VIVFWABWSA-N 451.475 4.191 50 10 JIGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(=S)NNC(=O)COc1ccc2ccccc2c1 12570043 QIMURUGXNFKBKZ-ZDUSSCGKSA-N 492.384 4.015 50 10 JIGE CC(C)COc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1 14030615 SIJDVYUSIFHQLS-UHFFFAOYSA-N 496.633 4.190 50 10 JIGE Cc1ccc(C(=O)NNC(=S)NC(=O)c2cccc(OCCC(C)C)c2)cc1Br 14644939 OFFCTUVDEISFCT-UHFFFAOYSA-N 478.412 4.132 50 10 JIGE COc1ccc(-c2cc(C(=O)NN/C=C3\C=C(Cl)C=CC3=O)c3ccccc3n2)cc1OC 33903813 HGVKBIZHIFJCRL-JQIJEIRASA-N 461.905 4.299 50 10 JIGE Cc1ccc2c(c1)/C(=N\NC(=O)COc1ccc(Br)cc1)C(=O)N2CCC(C)C 33959336 ISYWORWGRCPZHK-NJNXFGOHSA-N 458.356 4.050 50 10 JIGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)cc1OC 38658479 IDSXMSNVQZMNJO-HSZRJFAPSA-N 473.441 4.049 50 10 JIGE Cc1ccc(Sc2ncnc(NNC(=O)c3ccc(Br)cc3)c2[N+](=O)[O-])cc1 40650304 ROYXYNMBEONFME-UHFFFAOYSA-N 460.313 4.364 50 10 JIGE Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1/C=N/NC(=O)[C@@H](C)SCc1ccccc1 59146666 WURLDLGEVZGSOP-PLVXZXGYSA-N 482.522 4.078 50 10 JIGE CCOc1ccccc1NC(=O)N/N=C/c1cc(C)n(-c2cc(C(=O)O)cc(C(=O)O)c2)c1C 59301829 HYYJMYACDOLGQS-DHRITJCHSA-N 464.478 4.045 50 10 JIGE C/C(=N/NC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1)c1ccc(F)cc1 59372443 SYGCTMYSHWJKSQ-XHPQRKPJSA-N 453.539 4.178 50 10 JIGE COc1cc(/C=C2/C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1Cl 101341209 RJPNKUHFHUNNES-UDWIEESQSA-N 494.931 4.083 50 10 JIGE O=C(NN=Cc1ccc(Cl)c([N+](=O)[O-])c1)/C(=C\c1cccs1)NC(=O)c1ccccc1 252636896 XNBJBQOQQBDPFT-NCJCXQGBSA-N 454.895 4.231 50 10 JIGE Cc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)CNC(=O)c2ccc(F)cc2)cc1 254493590 GFSZUYDJQXQAON-UHFFFAOYSA-N 483.499 4.387 50 10 JIGE CCOc1cc(C=NNC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C)cc2)ccc1O 254622802 FWIYWXRUQOSSJM-UHFFFAOYSA-N 488.569 4.041 50 10 JIGE COC(=O)[C@H](Br)CNc1c(Br)cc(Cl)cc1Br 304132481 AEIYXRBWHAUMPJ-MRVPVSSYSA-N 450.352 4.213 50 10 JIGE C[C@H](Br)CN(C(=O)c1cc(Br)ccc1I)C1CC1 691364625 JRLWWWDBTUJGAF-QMMMGPOBSA-N 486.973 4.442 50 10 JIGE Cc1occc1C(=O)NC1CCN(C(=O)/C(C#N)=C/c2cc(C)n(-c3ccccc3F)c2C)CC1 727332247 DGLGTLXOGYPSTO-RCCKNPSSSA-N 474.536 4.463 50 10 JIGE N#CCCn1cc(/C=C(\C#N)C(=O)NCc2ccc(-n3ccnc3)c(F)c2)c(-c2ccccc2)n1 745867637 BFWPUIJPIUFYLR-KGENOOAVSA-N 465.492 4.012 50 10 JIGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)ccc1OCc1ccccc1C#N 1083963515 YYMSSKFMYYKNOW-XMMPIXPASA-N 457.530 4.500 50 10 JIGE O=C(CCc1ccccc1O)NN=C1C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 1084327999 VWOFFRWOGBWWFN-UHFFFAOYSA-N 492.373 4.197 50 10 JIGE C#CCN(CC(=O)OC(C)(C)C)C(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(Cl)cc2)c1C 1437439381 DJKVKOMNUGOERE-ZHZULCJRSA-N 451.954 4.458 50 10 JIGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2cccnc2-c2ccc(Cl)s2)cc1 1676468300 CIKMNCDJZWHZJX-CYBMUJFWSA-N 458.927 4.286 50 10 JIGE O=C(CCN1CCN(C(c2ccccc2)c2ccccc2)CC1)NN=Cc1c[nH]c2ccccc12 1772743350 LTIFSHYQMWRLRJ-UHFFFAOYSA-N 465.601 4.415 50 10 JIGE COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2Cl)cc1OC 1865710693 FINYVUKPSHHOKA-OAQYLSRUSA-N 452.898 4.078 50 10 JIGE CCc1cccc(C)c1N1C[C@H](C(=O)NNC(=O)c2ccc(SCC(C)C)cc2)CC1=O 1865758149 LPKCUKDHNCWVLQ-HXUWFJFHSA-N 453.608 4.120 50 10 JIGE CSCC[C@@H](NC(=O)Cc1ccc2nc(O)c(C)cc2c1)C(=O)Nc1ccc(SC#N)cc1 1866916872 FPALYRNGOPZEJQ-OAQYLSRUSA-N 480.615 4.241 50 10 JIGE Clc1ccc(I)c(CN2C[C@@H](Br)C[C@]3(CCCO3)C2)c1 1924311254 WOGNRCDWUIVXTI-SWLSCSKDSA-N 470.576 4.463 50 10 JIGE CN(C[C@H]1C[C@H](Br)C1)C(=O)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2020191875 DJKGIVJOEPWUTB-YOSAUDMPSA-N 495.458 4.462 50 10 JIGE O=C(N[C@@H](CBr)C(F)(F)F)c1cc(Br)ccc1Br 2029997648 WWXMIXLSFHSFDU-QMMMGPOBSA-N 453.878 4.267 50 10 JIGE O=C(c1scc(Br)c1Br)N1C[C@@H]2C[C@H](CBr)[C@@H]2C1 2053995919 XOMVYGPMARGLGT-CSMHCCOUSA-N 458.013 4.376 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CCC12CC(CBr)C2 2104560826 QWXTXHRBRHBNQN-UHFFFAOYSA-N 498.984 4.443 50 10 JIGE CN(Cc1cnn(C)c1Br)c1ccc(CBr)c(Br)c1 2116624505 KFRCHADKDJTAGZ-UHFFFAOYSA-N 451.988 4.476 50 10 JIGE CN(C[C@@H]1CCCCN1Cc1ccccc1)S(=O)(=O)c1ccsc1CBr 2123285138 VJKBJLKMPWPRON-KRWDZBQOSA-N 457.459 4.318 50 10 JIGE O=C(c1scc(Br)c1Br)N1C[C@H](CBr)OCC12CC2 2127556534 WCLGOLKUAOFTJG-ZETCQYMHSA-N 474.012 4.042 50 10 JIGE CC[C@H](C)[C@@H](CBr)NS(=O)(=O)c1cc(Br)ccc1Br 2136497925 XMVSDWRYYNTRPM-GZMMTYOYSA-N 478.044 4.300 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CC[C@@H](Br)[C@@H]1C1CC1 2142279796 VJWNXEAYMWBPRL-YPMHNXCESA-N 498.984 4.442 50 10 JIGE Cc1cc(S(=O)(=O)N2CC3(CC(OCc4ccccc4)C3)C2)ccc1CBr 2179792123 BLZLNMSLVJHFLY-UHFFFAOYSA-N 450.398 4.260 50 10 JIGE Cc1sc(CBr)cc1S(=O)(=O)N1CCC(CN(C)Cc2ccccc2)CC1 2179825833 LVBHJEJSBDEREX-UHFFFAOYSA-N 471.486 4.484 50 10 JIGE Cc1c(F)cc(CBr)cc1S(=O)(=O)N(C)[C@@H]1CC[C@H]1OCc1ccccc1 2179858096 JVDKKNHBBSYGDU-RTBURBONSA-N 456.377 4.397 50 10 JIGE ClCCc1nc2cc(I)ccc2n1C[C@H]1COCCN1Cc1ccccc1 2194648076 GHUOMZZCHIDOTF-SFHVURJKSA-N 495.792 4.323 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@@H](Br)C[C@@H](F)C1 2219179554 HGHLFIJOUSWQQC-DTWKUNHWSA-N 490.936 4.001 50 10 JIGE Cc1cc(Br)c(CN(C)S(=O)(=O)CCC(F)(F)CBr)s1 2237716626 LSWFKZKBCRJQJA-UHFFFAOYSA-N 455.184 4.001 50 10 JIGE N#CC(C(=O)NCc1ccco1)=C1S[C@@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(F)cc1 2293039255 SZFVYPQLKRNLGL-NRFANRHFSA-N 492.488 4.070 50 10 JIGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(Cl)c([N+](=O)[O-])c2)cc1 2295482926 BWGNDPVSBSLQRN-UHFFFAOYSA-N 491.935 4.235 50 10 JIGE CCN(C[C@](C)(CI)OC[C@H]1COCC1(C)C)C(=O)OC(C)(C)C 2301193556 CMNIVJDTANSUQF-KDOFPFPSSA-N 455.377 4.126 50 10 JIGE O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)NN=Cc1cn(Cc2ccccc2)c2ccccc12 2320479846 OHGVPJNDVXTJPQ-UHFFFAOYSA-N 495.608 4.490 50 10 JIGE COc1cccc(C=NNC(=O)[C@H](C)NC(=O)OC(C)(C)C)c1OCc1ccccc1Cl 2328818671 GZUKRSFNRJWVEE-HNNXBMFYSA-N 461.946 4.291 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CC[C@H]2C[C@]1(CCl)C2 2336568269 VNDKTOIXDTZLIZ-DEZZCRIOSA-N 454.533 4.287 50 10 JIGE Clc1ccc(I)cc1CN1CC[C@]2(C[C@H](Br)CO2)C1 2352432629 VYBCGCLDDDPZQC-FZMZJTMJSA-N 456.549 4.073 50 10 JIGE Cc1cccc(C(=O)NCC(F)(F)C(F)(F)CI)c1Br 2361679592 NZVXBBRUBWVMOR-UHFFFAOYSA-N 468.026 4.193 50 10 JIGE O=C(/C=C/c1ccco1)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 12491592 RUVOZRWSUNYEEN-VMPITWQZSA-N 494.139 4.197 50 10 JIGE N#C/C(C(=O)N1CCOCC1)=C1\S[C@@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1 13564248 ILMRSVSVDJWYSB-SNAUHIFDSA-N 488.396 4.278 50 10 JIGE CC[C@H](Oc1cccc(C)c1)C(=O)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 14023247 RXUWWGQSAFEVEW-SFHVURJKSA-N 452.338 4.026 50 10 JIGE C=CCOc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2C(C)(C)C)cc1 14668266 IOCUTLKVXMBFSB-UHFFFAOYSA-N 461.356 4.151 50 10 JIGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)cc1OCc1ccc(Cl)cc1 16284086 FQMOWQOGIANSGE-NRFANRHFSA-N 450.878 4.407 50 10 JIGE COc1cccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(F)cc3)nc3ccccn3c2=O)c1 39858698 KOJRXUBKTTXBFX-SSZFMOIBSA-N 456.433 4.180 50 10 JIGE O=C(COc1ccc(-c2ccccc2)cc1Br)N/N=C/c1ccc(C(=O)O)cc1 40911306 VMECEIQFHZIWKQ-ZMOGYAJESA-N 453.292 4.343 50 10 JIGE COc1ccc(-c2n[nH]cc2/C=C(/C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1OC 98063430 CRXZBCNWNSAIAB-QPEQYQDCSA-N 453.842 4.201 50 10 JIGE CC(CBr)(CBr)NC(=O)c1cc(Br)ccc1Br 161231154 XUJXIYUMUFICFK-UHFFFAOYSA-N 492.831 4.490 50 10 JIGE O=S(=O)(NCCCCCBr)c1cc(Br)ccc1Br 229241362 YWFUBNFDOQXNDB-UHFFFAOYSA-N 464.017 4.055 50 10 JIGE FC(F)c1c(I)cnc(I)c1CBr 238592129 XQONUZGDEBCKCX-UHFFFAOYSA-N 473.824 4.123 50 10 JIGE Cc1ccccc1-n1c(C)cc(C=NNC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)c1C 254743091 MLWZTQUAVAPYAA-UHFFFAOYSA-N 488.613 4.472 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2C[C@H](Br)CC[C@@H]2C)cc1Br 399383297 XVYNAKBRSGRYQE-VHSXEESVSA-N 490.055 4.457 50 10 JIGE O=C(CBr)c1c(OC(F)F)ccc(Br)c1I 575682582 VGOWWXFDIGPLID-UHFFFAOYSA-N 469.845 4.233 50 10 JIGE CCOC(=O)[C@H]1CCCN(C(=O)Nc2ccc(C(=O)Nc3ccc(SC#N)cc3)cc2)C1 586661270 IGHBJKPPHDKXJZ-KRWDZBQOSA-N 452.536 4.319 50 10 JIGE O=S(=O)(N[C@@H](CBr)CC(F)(F)F)c1c(Cl)cccc1Br 717832729 ZWDSMFAAOVDKTH-ZCFIWIBFSA-N 459.509 4.097 50 10 JIGE CN(C)[C@H](CNC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1)c1ccccc1Cl 914846984 GJKJHJAZCTZBIF-UJWNWPGJSA-N 472.980 4.443 50 10 JIGE Cc1c(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)oc2c1C(=NNc1ccccc1)CC(C)(C)C2 1772729358 LKURCNNQEBSISI-UHFFFAOYSA-N 475.505 4.360 50 10 JIGE COc1ccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4cc(OC)ccc4OC)c(C)c32)cc1 1772746524 WEBVYZVXYZPPRF-UHFFFAOYSA-N 477.517 4.337 50 10 JIGE COCCOc1ccc(/C=C(\C#N)C(=O)N[C@@H](c2ccc(OC)cc2)c2nc(C)cs2)cc1 1866214016 NTXKKHJHMXNAFY-YSSBIZNGSA-N 463.559 4.298 50 10 JIGE COC[C@@](C)(CCBr)NC(=O)c1c(Br)cccc1Br 2101773744 IRBUCLKNVWSIMM-CYBMUJFWSA-N 457.988 4.132 50 10 JIGE C[C@@H](CBr)N1CCN(Cc2cc(Br)ccc2Br)CC1 2118520761 XSCQPMBXXFRYJW-NSHDSACASA-N 455.032 4.113 50 10 JIGE O=C(c1ccc(Br)cc1Br)N1C[C@H]2C[C@@H](Br)C[C@H]2C1 2128631031 JLUBWTMFUHYXIE-DOFRTFSJSA-N 451.984 4.457 50 10 JIGE Clc1cc(CN2CC[C@]3(C[C@@H](Br)CO3)C2)ccc1I 2142952833 KWGZOQWFSUEWGT-RISCZKNCSA-N 456.549 4.073 50 10 JIGE C[C@H](CCCN(C)C(=O)OC(C)(C)C)N(C)S(=O)(=O)c1ccc(CBr)cc1 2168122424 PPTOHYPIMOZROT-OAHLLOKOSA-N 463.438 4.238 50 10 JIGE FC(F)(F)c1cnc(N2CC[C@H](Br)[C@@H]2C2CC2)c(I)c1 2187173239 PTOYZOLJRJZIEZ-ONGXEEELSA-N 461.063 4.457 50 10 JIGE COc1ccc(Br)cc1S(=O)(=O)N(Cc1ccccc1)[C@@H](C)CBr 2214851118 MUXRSHDFZPZMER-ZDUSSCGKSA-N 477.218 4.432 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H](F)C[C@@H](Br)C1 2219186360 PGEITGKDHBWRPT-BDAKNGLRSA-N 490.936 4.001 50 10 JIGE O=C(N1CCC[C@H](C2CCN(CCCCCI)CC2)C1)C(F)(F)F 2220217376 PVWDRGXPHILHTH-HNNXBMFYSA-N 460.322 4.105 50 10 JIGE I[C@@H]1CCCCC[C@@H]1OCCOCCOCCOCc1ccccc1 2220485293 NPGFCBUJYQPQAM-UXHICEINSA-N 462.368 4.389 50 10 JIGE Cc1cc(Br)cnc1C(=O)N(C)C[C@@H](Br)COCc1ccccc1 2248980638 GVLJINCBBLCPKU-MRXNPFEDSA-N 456.178 4.205 50 10 JIGE CCn1ncc(-n2c(CCl)nc3c(Br)cccc32)c1I 2280052842 UKEBUYBGGCNYPG-UHFFFAOYSA-N 465.520 4.348 50 10 JIGE CCN(CC)c1ccc(C=NNC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc1 2325903960 PIUURNCPWDQNKJ-UHFFFAOYSA-N 473.602 4.430 50 10 JIGE BrCc1cc(Br)ccc1OCc1ncc(I)cn1 2327893247 FHPIZRHZWKMEQE-UHFFFAOYSA-N 483.929 4.318 50 10 JIGE C=CC[C@H](Cl)[C@H]1CCN1C(=O)c1ccc(I)c(Br)c1 2335814507 OZFMYIWHMHBQTL-WCQYABFASA-N 454.533 4.452 50 10 JIGE Clc1ccc(CN2CC[C@]3(C[C@H](Br)CO3)C2)c(I)c1 2341050515 NVSSPDNHINMFCY-FZMZJTMJSA-N 456.549 4.073 50 10 JIGE C=C[C@]1(CBr)COCCN1Cc1ccc(Cl)cc1I 2341052493 TVCSSDKPRWJKBF-AWEZNQCLSA-N 456.549 4.097 50 10 JIGE O=C(CCCOc1ccc(Cl)cc1Cl)NC(=S)NNC(=O)c1cccc(Cl)c1 12570208 NUDSOCLLRBBETB-UHFFFAOYSA-N 460.770 4.142 50 10 JIGE CCOc1cc(/C=C2/C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1 38608923 NIHVROGUIWNZAM-HZHRSRAPSA-N 488.540 4.210 50 10 JIGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4OC)ccc32)cc1 38658054 OVSGXPRHTAPMAH-MHZLTWQESA-N 484.508 4.463 50 10 JIGE Cc1cc(C)c(OCC(=O)N/N=C/c2cc(Br)cc(C)c2O)c(Br)c1 83308895 DWNSXFQKVUSGIG-ODCIPOBUSA-N 470.161 4.372 50 10 JIGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1 206682816 ZJXVKSDZBOOYKW-ALNGHYEBSA-N 487.468 4.429 50 10 JIGE COc1cc(C(=O)Oc2ccccc2C=NNC(=O)COc2ccc(C)cc2C)cc(OC)c1OC 254353954 YZYJMIGAFGHECE-UHFFFAOYSA-N 492.528 4.078 50 10 JIGE Cc1ccc(-n2c(SCC(=O)NN=Cc3ccccc3C(=O)O)nnc2-c2ccccc2)cc1 254385836 SXQKIYMQICVYGF-UHFFFAOYSA-N 471.542 4.183 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2C[C@@H](Br)C[C@@H](C)C2)cc1Br 401611558 KBJFALWBBKBVQV-SCZZXKLOSA-N 490.055 4.314 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@H]2C[C@H](Cl)C[C@H]1C2 709817564 OCELCRNOYBWZQW-INTQDDNPSA-N 454.533 4.286 50 10 JIGE CSc1ccc(C=NNC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1 725422165 ITJSAXLQTHDJRX-UHFFFAOYSA-N 469.588 4.117 50 10 JIGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(Br)c1O 725429772 XEKDEAXVWQSNQG-HXUWFJFHSA-N 461.356 4.246 50 10 JIGE O=C(NNC(=O)[C@H]1C[C@@H]1c1cccc2ccccc12)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 730770254 DLQCDHMRCKDNPH-FTJBHMTQSA-N 488.551 4.106 50 10 JIGE COc1ccc(/C=C2/CCCc3c2nc2ccccc2c3C(=O)NNC(=O)NC(C)C)cc1OC 745139404 GAIVFVBVBAREMM-JXAWBTAJSA-N 474.561 4.481 50 10 JIGE CC1(C)[C@@H]2CC[C@]1(C)/C(=N\NC(=O)CN1C(=O)N[C@@](C)(c3ccc(Cl)cc3Cl)C1=O)C2 1086830837 PGTQQKGRFYLCQK-RFVGPIMTSA-N 465.381 4.079 50 10 JIGE CC(=O)c1ncc(C(=O)NNC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)s1 1136131622 GIHFXVCEMPVFPK-UHFFFAOYSA-N 450.907 4.289 50 10 JIGE C=CCC[C@H](NC(=O)NNC(=O)Cc1nc2ccccc2n1C)c1ccc(C(F)(F)F)cc1 1224642859 QKGFVTOAMPQJSB-KRWDZBQOSA-N 459.472 4.173 50 10 JIGE Cc1c(C(=O)NCc2cccnc2)oc2c1C(=NNC(=O)c1ccccc1Br)CCC2 1772743924 LKYNULYIEMLGPW-UHFFFAOYSA-N 481.350 4.146 50 10 JIGE COC(=O)c1c(NC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)sc(/C(C)=C/C#N)c1C 1873427039 FPSRYTFERNWVJO-NJHPPEEMSA-N 456.520 4.448 50 10 JIGE CS(=O)(=O)c1csc([C@@H](Br)c2sccc2I)c1 1944541959 QPXQSCPAWMFERA-SECBINFHSA-N 463.181 4.302 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCNc1ccc(N)cc1I 1985350313 OKIYFNDUAHJMOC-UHFFFAOYSA-N 469.414 4.191 50 10 JIGE O=C(NC[C@H](NC(=O)c1ccc(CBr)cc1)C(F)(F)F)OCc1ccccc1 2044176223 RSFQBZVOYITAJP-INIZCTEOSA-N 459.262 4.169 50 10 JIGE O=C(CBr)c1ccc(Br)c(I)c1Br 2054853303 VIPXMEYKSVZGJS-UHFFFAOYSA-N 482.735 4.394 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1C[C@H](CBr)C2(CC2)C1 2087791814 GCZDKTHTDOJJOZ-VIFPVBQESA-N 454.533 4.192 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1CC[C@H]2[C@H](C1)[C@@H]2CBr 2093139090 ZNKASWQZJWGAAM-MXWKQRLJSA-N 454.533 4.048 50 10 JIGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CC[C@H](CBr)C(F)(F)C1 2146375293 LHUSYRCBZYLSIF-ZCFIWIBFSA-N 473.586 4.205 50 10 JIGE CC(C)(C)C[C@H](CBr)CNC(=O)c1ccc(I)c(O)c1 2156325837 HTJPOAHFFUITNL-SNVBAGLBSA-N 454.146 4.174 50 10 JIGE C[C@H]1CN(S(=O)(=O)c2ccc(CBr)cc2F)[C@@H](C)CN1Cc1ccccc1 2179785733 QENPWTWXKBJSRE-HOTGVXAUSA-N 455.393 4.004 50 10 JIGE O=C(c1ccc(Br)c(C(F)(F)F)c1)N1C[C@H](Br)[C@@H](Br)C1 2196129219 IEHCBJPEFOXMDM-UWVGGRQHSA-N 479.916 4.451 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@H](F)C[C@@H](Br)C1 2219186363 PGEITGKDHBWRPT-RKDXNWHRSA-N 490.936 4.001 50 10 JIGE O=C(NC[C@@H]1CC[C@@H](CBr)CO1)c1cc(Br)sc1Br 2264706180 QMGLAQAVZUEVFL-YUMQZZPRSA-N 476.028 4.193 50 10 JIGE CCCOc1cccc(C=C(C#N)C(=O)Nc2sc(C(=O)N(C)C)c(C)c2C(=O)OCC)c1 2295787829 NPWPYIZKCAHOCI-UHFFFAOYSA-N 469.563 4.270 50 10 JIGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCCCOC)c(C)c1 2296707784 KHPOPSJLQYGIQZ-UHFFFAOYSA-N 456.546 4.472 50 10 JIGE O=C(Cn1c(O)nc2ccccc2c1=O)NN=Cc1c(OCc2ccc(F)cc2)ccc2ccccc12 2328808978 NEAQJCMCVSIZQA-UHFFFAOYSA-N 496.498 4.124 50 10 JIGE N#CC(=C(O)CCN1C(=O)c2ccccc2C1=O)c1nc(-c2ccc3c(c2)OCCO3)cs1 2331330089 UWDNXIKRWRTFDD-UHFFFAOYSA-N 459.483 4.060 50 10 JIGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)CCc1ccccc1Cl 10460290 QBONWYABCXLDTL-NSHDSACASA-N 474.797 4.069 50 10 JIGE CCCCCCOc1ccc(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])cc1Br 14640659 ABRHIHYSQIBJPE-UHFFFAOYSA-N 464.316 4.391 50 10 JIGE CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2Cl)C(=O)N/N=C/c2ccccc2O)cc1 20072273 ZUGCPUKZDCRAGY-QHPKCYJTSA-N 462.937 4.033 50 10 JIGE Cc1cc(C(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)c2cnn(Cc3cccs3)c2n1 29518913 WYYALSCUKDMVFP-UHFFFAOYSA-N 463.607 4.217 50 10 JIGE COc1ccc(C(=O)Oc2cc(/C=C(/C#N)C(=O)Nc3ccccc3[N+](=O)[O-])ccc2OC)cc1 33583836 YDQRFMIEVUUHSG-AQTBWJFISA-N 473.441 4.377 50 10 JIGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)c1 38659856 ICYACSZMZIVWBB-MQNRADLISA-N 490.487 4.434 50 10 JIGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)c1OC 38688630 PJSGURKIKXBTQW-XMMPIXPASA-N 496.475 4.248 50 10 JIGE Cc1ccc(C)c(Nc2ncnc(NNC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2[N+](=O)[O-])c1 40592171 RQJXOJJMQJMQQI-UHFFFAOYSA-N 457.834 4.064 50 10 JIGE O=C(N/N=C1/C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21)[C@@H](O)c1ccccc1 59165466 GSLOIUFLKXBYLA-LLDNVPTHSA-N 461.521 4.377 50 10 JIGE C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCC(=O)O 59304806 RMOHLCQADCQVMJ-FOKLQQMPSA-N 457.280 4.151 50 10 JIGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccc2c(c1)OCO2 59333010 TVXSWKGAXAAKKF-HZHRSRAPSA-N 497.551 4.259 50 10 JIGE CCCCCOc1cc(C(NC(=O)C(Cl)Cl)NC(=O)C(Cl)Cl)ccc1OC 101328698 PDPHUSMDZLTTNF-UHFFFAOYSA-N 460.185 4.103 50 10 JIGE CCCOc1c(/C=N\NC(=O)c2cccn(Cc3cccc(Cl)c3)c2=O)cccc1OC 169920579 ZAKSMDUPBAUXME-YSMPRRRNSA-N 453.926 4.111 50 10 JIGE CCCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)COc2cc(C)cc(C)c2C)c(OC)c1 207142841 YKWIKSRXXZVIQA-BKUYFWCQSA-N 450.535 4.428 50 10 JIGE CCCCOc1ccc(/C=C2\C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1OC 214389058 SWZJURGLYZDTHE-JAIQZWGSSA-N 474.513 4.395 50 10 JIGE O=C(Cn1c2ccccc2c(=O)c2ccccc21)NN=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 252623388 OQBAWJVSAMZRGB-UHFFFAOYSA-N 466.453 4.473 50 10 JIGE CC(=NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1ccc2c(c1)OCO2 254430519 WHWXDFCEAJGOMF-UHFFFAOYSA-N 471.922 4.024 50 10 JIGE CC(C)Oc1ccc(C=NNC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)cc1 254507392 ODHCVMYXPPSURO-UHFFFAOYSA-N 465.575 4.204 50 10 JIGE Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1 761658341 ZWCHOEBTXORTFK-UHFFFAOYSA-N 486.494 4.449 50 10 JIGE O=C(NN=Cc1cccnc1)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1 1083929510 WKUYWIAWQIFLMU-UHFFFAOYSA-N 470.554 4.241 50 10 JIGE COc1ccccc1C=NNC(=O)CSc1nnc(CCc2ccccc2)n1-c1ccccc1 1084421037 BNBNBRMVTPLTFD-UHFFFAOYSA-N 471.586 4.304 50 10 JIGE CCOC1=C(C#N)[C@H](c2ccc(OC(C)=O)c(C(=O)O)c2)[C@H]2C(C)=NN(c3ccccc3)[C@H]2O1 1088699394 OSPWKRGMLJTIIU-VJBWXMMDSA-N 461.474 4.034 50 10 JIGE Cc1c(C(=O)Nc2ccc(Cl)cn2)oc2c1C(=NNC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 1772745002 OHTJDPIXPYNXJD-UHFFFAOYSA-N 467.869 4.267 50 10 JIGE COc1cccc(-c2cc(C(=O)N[C@H](CCSC)C(=O)Nc3ccc(SC#N)cc3)no2)c1 1867146554 ITMZJKOAFJTMAR-LJQANCHMSA-N 482.587 4.414 50 10 JIGE COC(=O)c1c(NC(=O)c2ccc3c(c2)C(=O)N(C(C)C)C3=O)sc(/C(C)=C/C#N)c1C 1873427092 GRGPDAXWNWYBKN-XYOKQWHBSA-N 451.504 4.027 50 10 JIGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)c1ccc(I)cc1 1916375212 SCKUUERVKKGRJZ-MRXNPFEDSA-N 488.163 4.344 50 10 JIGE O=C(N[C@H](CBr)C[C@H]1CCCO1)c1cc(Br)cc(Br)c1 1926739644 DOWSQVVXMCFEQT-QWHCGFSZSA-N 469.999 4.274 50 10 JIGE CN(CC(F)(F)CBr)C(=O)c1ccc(I)c(Cl)c1 2033566688 HDIGMHSXSFEFOW-UHFFFAOYSA-N 452.464 4.047 50 10 JIGE COc1ccc([C@H](CI)OCCOCCOCc2ccccc2)cc1 2056733886 NEQYGSFMNOVRMT-FQEVSTJZSA-N 456.320 4.421 50 10 JIGE CN(C(=O)c1ccc(I)c(Br)c1)C1(CCBr)CC1 2069687888 IEPYEXZKORJKJS-UHFFFAOYSA-N 486.973 4.443 50 10 JIGE CCc1ccnc(-n2nc(CBr)c(I)c2C(F)(F)F)c1 2078915182 DORUHUAKHXGTQR-UHFFFAOYSA-N 460.035 4.348 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CC[C@H](Cl)[C@H]1C1CC1 2142279964 XGJOZAUGJNJWJT-WCQYABFASA-N 454.533 4.286 50 10 JIGE CC1(C)[C@H](CBr)OCCN1Cc1ccc(I)c(Cl)c1 2142946135 ZDGUXZIGNKFZFV-ZDUSSCGKSA-N 458.565 4.319 50 10 JIGE CC1(C)CN(Cc2ccccc2)CCN(S(=O)(=O)c2ccc(CBr)cc2)C1 2150468196 UAXMHFMOHTUOLS-UHFFFAOYSA-N 451.430 4.114 50 10 JIGE CCN([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1c(C)oc(C)c1CBr 2179791315 PQZNFYUOQJQNBD-SFHVURJKSA-N 455.418 4.076 50 10 JIGE Cc1csc(CBr)c1S(=O)(=O)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 2179825087 CJVCOSTYZGBHET-HXUWFJFHSA-N 469.470 4.238 50 10 JIGE C[C@@H](Br)[C@@H](NS(=O)(=O)c1ccc(Br)cc1Cl)C(F)(F)F 2195319862 MPMYVRLXLKHQPV-MLUIRONXSA-N 459.509 4.095 50 10 JIGE O=C(NC[C@]12CCC[C@@]1(CBr)C2)c1cccc(F)c1I 2208047396 YONDNRFHJOTIFD-LSDHHAIUSA-N 452.105 4.115 50 10 JIGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NC[C@H]2CCCO2)c(C)c1 2296705155 XEZZGUQBYHJFLU-XMMPIXPASA-N 456.546 4.449 50 10 JIGE COc1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2ccccc2C)cc1 2296719457 VVZLOWBCOPHCDO-UHFFFAOYSA-N 452.470 4.350 50 10 JIGE COc1ccc(-n2c(C)cc(C=C(C#N)C(=O)OCC(=O)c3ccc4c(c3)OCO4)c2C)cc1 2297486635 VZLNEINSYPLKCP-UHFFFAOYSA-N 458.470 4.165 50 10 JIGE NNC(=O)C=Cc1cc(Cl)c(OCc2ccccc2Br)c(Br)c1 2314019529 MSEZTKMCPAPBIK-UHFFFAOYSA-N 460.553 4.447 50 10 JIGE N#CC(=Cc1ccc(OS(=O)(=O)c2ccc3ccccc3c2)cc1)C(=O)NCc1ccco1 2314771154 XBINULWKGKADFJ-UHFFFAOYSA-N 458.495 4.424 50 10 JIGE COc1ccc([C@H](C)NC=C(C#N)C(=O)Nc2ccc(I)cc2C)cc1OC 2325406016 JKSPRBUEERIVCG-AWEZNQCLSA-N 491.329 4.314 50 10 JIGE C[C@@H](Br)[C@@H]1C[C@@H]1NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2331384264 VPRNCIMRFPKBJU-GRQVRMODSA-N 451.995 4.206 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1[C@H]2CC[C@H](Br)[C@H]1CC2 2340056472 FGRHADGNZFWJOR-XHVZSJERSA-N 454.533 4.475 50 10 JIGE O=C(c1cc(I)ccc1F)N1[C@H]2CCC[C@H]2C[C@@H]1CBr 2355127239 IYSPDTQDCWBUQN-PXWWUCIGSA-N 452.105 4.208 50 10 JIGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)COc2c(C)cc(Br)cc2C)cc1 13983381 KVTQWYIKRSHRMB-AWEZNQCLSA-N 463.372 4.185 50 10 JIGE O=C(NNc1ncnc(NN(c2ccccc2)c2ccccc2)c1[N+](=O)[O-])c1ccccc1F 40646414 IISVBUMBBTVKPQ-UHFFFAOYSA-N 459.441 4.446 50 10 JIGE COc1cc(/C=N/NC(=O)CC[C@@H](O)c2ccccc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 58887273 KGLFGPADCRRTBN-PXMCARDJSA-N 494.460 4.268 50 10 JIGE COc1cc(/C=C2/C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 101337409 DGXBXDNFLJXXMP-MHRHTVJOSA-N 476.504 4.185 50 10 JIGE Cn1cc(CCOc2c(Br)cc(Br)cc2CBr)cn1 389229436 YWSWLLQOTBWYKA-UHFFFAOYSA-N 452.972 4.462 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1CCC(F)(F)[C@H](CBr)C1 403956693 IPCYSHCQBOJONX-SECBINFHSA-N 478.502 4.437 50 10 JIGE N#CCCn1cc(/C=C(/C#N)C(=O)N2CCC[C@@H](CN3CCCCCC3)C2)c(-c2ccccc2)n1 728530079 CZHROKYMPXGCBC-ROZSZVCVSA-N 470.621 4.485 50 10 JIGE CC(=O)Nc1cccc([C@@H](C)NC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)c1 914471438 AYILMIPIJWKGNG-SDLXJUDFSA-N 452.518 4.207 50 10 JIGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)cc1 1865709700 ZTAYCIHPHVRPJA-QGZVFWFLSA-N 472.398 4.094 50 10 JIGE CC[C@@](C)(NC(=O)c1cc(-c2cccc(OC)c2)on1)C(=O)Nc1ccc(SC#N)cc1 1867145984 UAETZQZYMOXJNI-HSZRJFAPSA-N 450.520 4.461 50 10 JIGE O=C(NC[C@]1(CBr)C[C@@H]1C(F)(F)F)c1csc(I)c1 1877497808 WYYOZOIRFVPXEP-OIBJUYFYSA-N 468.076 4.046 50 10 JIGE CN(C[C@H]1C[C@H](Br)C1)[C@@H](CN)c1cc(Br)ccc1Br 1887892987 LQYDFNONLOHSHJ-CHIMOYNISA-N 455.032 4.317 50 10 JIGE C[C@@H]1[C@H](CBr)CCN1C(=O)c1ccc(Br)cc1I 2086149159 KHOKNHBIINZSSK-BDAKNGLRSA-N 486.973 4.299 50 10 JIGE O=C(c1cc(I)ccc1Br)N1[C@H]2CC[C@@H](C2)[C@@H]1CBr 2122171174 CQFFOTITNBHWLN-FWDPORAESA-N 498.984 4.442 50 10 JIGE CC(C)(C)[C@@H]1[C@@H](Br)CCN1C(=O)c1cc(I)ccc1F 2185105320 BPECWGAQZVCVTE-AAEUAGOBSA-N 454.121 4.454 50 10 JIGE O=C(N[C@H](CCBr)C(F)(F)F)c1ccc(Cl)c(I)c1 2268349674 GULJEFLXRPISAY-SECBINFHSA-N 470.454 4.390 50 10 JIGE CCOC(=O)COc1c(Br)cc(C=C(C#N)C(=O)N[C@@H]2CCCC[C@H]2C)cc1OC 2295195963 CZAWBNDHAUHCLF-RDTXWAMCSA-N 479.371 4.001 50 10 JIGE C[C@@H]1CCC[C@@H](CO[C@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)O1 2301123060 UMNMTICKWXZWCL-VKJFTORMSA-N 453.361 4.165 50 10 JIGE CCN(CC)C(=O)COc1ccc(C=NNC(=O)c2ccc(-c3ccc(F)c(F)c3)nc2C)cc1 2321215885 NLXKWSFMPFKJLW-UHFFFAOYSA-N 480.515 4.346 50 10 JIGE CCN(CC)c1ccc(C=NNC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)cc1 2325903755 CNEVGWBZKXFJAI-UHFFFAOYSA-N 459.575 4.122 50 10 JIGE Cc1cc(-c2csc(C(C#N)=C(O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)ccc1F 2331322487 CRZIRXOUTNGQLR-UHFFFAOYSA-N 464.434 4.255 50 10 JIGE C[C@@H](Br)[C@@H]1C[C@H]1NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2331384265 VPRNCIMRFPKBJU-NJUACVTBSA-N 451.995 4.206 50 10 JIGE Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C/c3cc(Cl)cc4c3OCOC4)cc2)cc1 5941807 JRSHIDAHBDBZDN-BRJLIKDPSA-N 485.949 4.080 50 10 JIGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)c1ccc(Cl)cc1Cl 12501461 GQXKIWYLHWICKG-MRVPVSSYSA-N 481.188 4.403 50 10 JIGE CC(C)(C)c1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2Cl)cc1Br 13977094 WNQVESVNTSODGC-UHFFFAOYSA-N 498.830 4.115 50 10 JIGE CCCCOc1ccc(C(=O)NNC(=O)c2ccccc2Br)cc1Br 14041303 YGHVNFIPZBOFDO-UHFFFAOYSA-N 470.161 4.465 50 10 JIGE CN(C)c1ccc(NC(=O)CCCl)cc1CN(C[C@H]1CCCO1)C(=O)c1cccs1 34921672 OGRHKXWRVGGKDS-GOSISDBHSA-N 450.004 4.203 50 10 JIGE CCOc1cc(/C=C2/C(=O)N(c3ccc(OC)cc3)C(=O)N=C2O)ccc1OCCBr 35330392 AVUBVWISVADZKM-SFQUDFHCSA-N 489.322 4.374 50 10 JIGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc32)cc1OC 38659687 UYAUEILXJKXKGW-DEOSSOPVSA-N 487.468 4.439 50 10 JIGE COc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)N4CCc5ccccc5C4)c(C)c32)cc1 40813861 LBJQCISVBAVTTL-XAYXJRQQSA-N 457.530 4.266 50 10 JIGE Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1/C=N/NC(=O)[C@H](C)SCc1ccccc1 59146667 WURLDLGEVZGSOP-PDYUXYPTSA-N 482.522 4.078 50 10 JIGE O=C(N/N=C/c1cc(Br)c(O)c(I)c1)c1cc2ccccc2o1 59304337 JTLAUJVXRXPVSE-UFWORHAWSA-N 485.075 4.269 50 10 JIGE COc1ccc(/C=C/C(=O)NN=C(C)c2ccc(NCc3cc([N+](=O)[O-])ccc3O)cc2)cc1 254293033 DVPZXJFKXNTBGK-JHOLVCDWSA-N 460.490 4.475 50 10 JIGE CC(C)(C)c1cc(C=NNC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)cc(C(C)(C)C)c1O 254844315 DVOAWISTYJJOFS-UHFFFAOYSA-N 469.542 4.167 50 10 JIGE CC(C)[C@](C)(CBr)NS(=O)(=O)c1cc(Br)ccc1Br 398553522 OVEWBNRCVQWUHX-LBPRGKRZSA-N 478.044 4.300 50 10 JIGE FC(F)CN(CCBr)c1ncc(C(F)(F)F)cc1I 686115769 ZZHZUPWOOANWLA-UHFFFAOYSA-N 458.994 4.171 50 10 JIGE O=c1sccn1CCOc1c(Br)cc(CBr)cc1Br 700207314 OMNXWKRPJSPZGU-UHFFFAOYSA-N 471.996 4.409 50 10 JIGE C[C@H](Br)[C@@H]1CCN(C(=O)c2cc(Br)ccc2I)C1 719920201 VHPNWXDTYRYEKQ-DTWKUNHWSA-N 486.973 4.299 50 10 JIGE O=C(NC[C@H]1CCC[C@H]1Br)c1ccc(I)c(Br)c1 721608285 GDPBXHDWZKDDMQ-NXEZZACHSA-N 486.973 4.347 50 10 JIGE CCN(Cc1ccc(Cl)cc1)C(=O)/C(C#N)=C\c1cn(CCC(N)=O)nc1-c1ccc(OC)cc1 745843382 FDOYDBQKGYCSMO-ZHZULCJRSA-N 491.979 4.043 50 10 JIGE Cc1ccsc1C=NNC(=O)c1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1 1084243998 ADADMVZKOLSSAJ-UHFFFAOYSA-N 461.996 4.440 50 10 JIGE CS(=O)(=O)Oc1ccc(C(=NNC(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccc(Cl)cc2)cc1 1088679836 MNPWROVIXQDRKD-UHFFFAOYSA-N 488.909 4.161 50 10 JIGE CC(C)(C)OC(=O)N1CCC(CBr)(O[C@@H]2CCN(Cc3ccccc3)C2)CC1 1224321839 UFUDFAMJQVAOLS-LJQANCHMSA-N 453.421 4.442 50 10 JIGE C/C(=N/Nc1nc(=Nc2ccccc2)nc(N2CCCCC2)[nH]1)c1ccc(NC(=O)CCl)cc1 1614536026 HWTPIKGPTWLCDG-LJUMEUDFSA-N 478.988 4.041 50 10 JIGE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NNc2c(C)cccc2C(C)C)cc1 1637846557 CRGJAXYRMBTONO-JOCHJYFZSA-N 457.596 4.008 50 10 JIGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1cc(C)ccc1O)C(C#N)=C(N)O2 1865687419 QTZMODHZAQMJTN-LJQANCHMSA-N 451.324 4.429 50 10 JIGE CCc1cccc(C)c1N1C[C@@H](C(=O)NNC(=O)c2ccc(SCC(C)C)cc2)CC1=O 1865758148 LPKCUKDHNCWVLQ-FQEVSTJZSA-N 453.608 4.120 50 10 JIGE COc1cc(/C=N/NC(=O)CCCCCNC(=O)OC(C)(C)C)ccc1OC(=O)c1ccccc1 1873795588 RZOJOGBAEIODTF-MTDXEUNCSA-N 483.565 4.450 50 10 JIGE C[C@H](Br)[C@@H](NS(=O)(=O)c1cc(Cl)c(Br)s1)C(F)(F)F 1882673078 FECPFXRBRYLILO-BBIVZNJYSA-N 465.538 4.157 50 10 JIGE O=C(N[C@H](CBr)C[C@@H]1CCCO1)c1ccc(Br)cc1Br 1926741914 VBVXHNACNFVNEL-QWRGUYRKSA-N 469.999 4.274 50 10 JIGE CC(CBr)(CBr)NC(=O)c1cccc(Br)c1Br 1943885154 CKAFNHNCSMZDRX-UHFFFAOYSA-N 492.831 4.490 50 10 JIGE O=C(NCC[C@@H](Br)C1CC1)c1cc(I)ccc1Br 2029913063 ZHYFODGXBBBIEL-LLVKDONJSA-N 486.973 4.347 50 10 JIGE O=C(c1cc(Br)c(Br)s1)N1CC[C@H]2[C@H](C1)[C@@H]2CBr 2032221736 AJYFVVMLGGBTGV-PRJMDXOYSA-N 458.013 4.376 50 10 JIGE O=C(c1ccc(Br)cc1Br)N1C[C@@H](Br)[C@H](C2CC2)C1 2090686028 SUVZACFPHXFUEY-WCQYABFASA-N 451.984 4.457 50 10 JIGE FC1(F)CCOC[C@@H]1[C@@H](Br)c1cc(I)cc2c1OCC2 2166683686 PNVRXBSGNYSOKZ-NEPJUHHUSA-N 459.068 4.334 50 10 JIGE Cc1oc(C)c(S(=O)(=O)N2CCC(N(C)Cc3ccccc3)CC2)c1CBr 2179774241 DJZNDQSJWXYXTG-UHFFFAOYSA-N 455.418 4.076 50 10 JIGE O=C(N[C@H]1COC2(CCC2)[C@@H]1Br)c1c(Br)cccc1Br 2206473018 UTFHBDNKBXKGFO-CMPLNLGQSA-N 467.983 4.026 50 10 JIGE O=C(c1c(F)cccc1I)N1C[C@@H]2CC[C@@H](Br)C[C@H]2C1 2282804657 CELJLHPXWMZROJ-GARJFASQSA-N 452.105 4.066 50 10 JIGE CCCN1CC[C@H]([C@H](Br)c2ccc(Cl)c(I)c2)S1(=O)=O 2283566048 MHWFLVSTKIPUNT-CHWSQXEVSA-N 492.604 4.195 50 10 JIGE O=C(c1scc(Br)c1Br)N1C[C@@H]2CC[C@H](CBr)O[C@@H]2C1 2289335343 XXNQBBGWDXDBDT-QXFUBDJGSA-N 488.039 4.288 50 10 JIGE CC(=O)OCCN1C(=O)C(=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)C(C)=C(C#N)C1=O 2314620136 KIXBOUNEJROTLG-UHFFFAOYSA-N 459.285 4.409 50 10 JIGE Clc1cc(I)c([C@H](Br)[C@H]2CCn3ncnc3C2)s1 2316777261 LJDNVXCYAVFHIH-QUBYGPBYSA-N 458.550 4.296 50 10 JIGE CC(C)Oc1c(Br)cc(C=NNC(=O)c2ccccc2O)cc1Br 2323096936 OSJVWUJTUAWALI-UHFFFAOYSA-N 456.134 4.468 50 10 JIGE CC(C)(CI)CN1CCC[C@@H](c2n[nH]cc2NC(=O)OC(C)(C)C)C1 2326664743 HLNPGPJSUSXXTJ-CYBMUJFWSA-N 462.376 4.397 50 10 JIGE C[C@@]1(CBr)COCCN(Cc2ccc(Cl)c(I)c2)C1 2337217808 BGOIEJQTAZIJJJ-AWEZNQCLSA-N 458.565 4.178 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1CC[C@@H](Br)[C@@H]2CC[C@@H]21 2340056066 WAOWXDBAWRLDCS-NDMJEZRESA-N 454.533 4.333 50 10 JIGE O=C(c1csc(I)c1)N1C[C@@H]2C[C@H](CBr)C[C@@H](C2)C1 2343297708 NJQCQFBGRYPELM-JGPRNRPPSA-N 454.171 4.236 50 10 JIGE COc1ccc(CC(=O)N[C@H](CCBr)COCc2ccccc2)c(Br)c1 2343419362 YRHGSZBZHAHGGA-QGZVFWFLSA-N 485.216 4.487 50 10 JIGE Clc1ccc(CN(CCBr)C2CCOCC2)cc1I 2353634151 RALLGIUTXWCUGT-UHFFFAOYSA-N 458.565 4.321 50 10 JIGE Cn1nc(Br)c(Br)c1C(=O)NCC[C@H]1CCCC[C@@H]1Br 2364227555 AJBAXXPJZDHTGP-BDAKNGLRSA-N 472.019 4.019 50 10 JIGE O=S(=O)(N[C@@H](CCBr)COCc1ccccc1)c1cccc(C(F)(F)F)c1 2369430747 IBTTWSMRLUTLMQ-INIZCTEOSA-N 466.319 4.354 50 10 JIGE CCc1ccc(O[C@@H](C)C(=O)NNC(=O)COc2ccc3ccccc3c2Br)cc1 14039884 MIBWFVLKEGWNEW-HNNXBMFYSA-N 471.351 4.158 50 10 JIGE CCCOC(=O)c1ccc(OCC(=O)NNC(=O)[C@@H](CC)Oc2ccc(-c3ccccc3)cc2)cc1 14768914 GKOUUZGWPHAOHX-RUZDIDTESA-N 490.556 4.304 50 10 JIGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)cc1OC 38658533 MUHOLUCQZPNTKT-MQNRADLISA-N 490.487 4.434 50 10 JIGE N#C/C(=C\c1ccc(Cl)cc1)S(=O)(=O)CS(=O)(=O)/C(C#N)=C/c1ccc(Cl)cc1 39931515 CHKJRLOOGKXZHD-VNIJRHKQSA-N 467.355 4.210 50 10 JIGE CCOC(=O)c1ccc(Nc2ncnc(NNC(=O)c3cccc4ccccc34)c2[N+](=O)[O-])cc1 40645776 RTKBFFVNASBPJY-UHFFFAOYSA-N 472.461 4.215 50 10 JIGE COc1ccc(Cl)cc1Nc1ncnc(NNC(=O)COc2ccc(Cl)cc2Cl)c1N 40702525 JVZSTGQFSPSOON-UHFFFAOYSA-N 483.743 4.293 50 10 JIGE Cc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2c1/C(=N/NC(=O)c1cccs1)CCC2 40823769 KYYTXONIHGBMCP-MFKUBSTISA-N 451.504 4.143 50 10 JIGE CNC(=O)/C(C#N)=C1/S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1cccc(OC)c1 102667306 YOULTQWZHRRETC-SAGAUJLNSA-N 462.358 4.174 50 10 JIGE CCC(CBr)(CBr)NS(=O)(=O)c1cc(Cl)cc(Cl)c1 232873956 ZLCVLPWKMYBWKO-UHFFFAOYSA-N 454.011 4.210 50 10 JIGE Cc1nn(-c2ccccc2)c(N2CCCC2)c1C=NNC(=O)Cn1c(C(F)(F)F)nc2ccccc21 254478473 ABLQTMDBLJEFFS-UHFFFAOYSA-N 495.509 4.300 50 10 JIGE CCn1c(C)nc2cc(C(=O)NN=Cc3sc(N4CCOCC4)nc3-c3ccccc3)ccc21 254729828 JFHPCIGLDOJOBI-UHFFFAOYSA-N 474.590 4.089 50 10 JIGE CC(C)CC(=O)N[C@@H](Oc1ccc(C=NNC(=O)c2ccccc2O)cc1)C(Cl)(Cl)Cl 254860414 LTFXPNRRJKTFQV-FQEVSTJZSA-N 486.783 4.394 50 10 JIGE C[C@@H]1CN(Cc2ccccc2)C[C@]1(C)CNS(=O)(=O)c1ccc(CBr)cc1 379947574 DHKHOFANAOGDTL-UTKZUKDTSA-N 451.430 4.018 50 10 JIGE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NNc2cccc(C)n2)c1 1148424038 PDIGDLKPYDRAAF-UHFFFAOYSA-N 456.955 4.182 50 10 JIGE CCCCCC(=O)NN=Cc1ccc(OC(=O)c2cc(OC)c(OC)c(OC)c2)c(OCC)c1 1772720139 GIUSPWSURXCVOH-UHFFFAOYSA-N 472.538 4.361 50 10 JIGE COc1ccc(OCCCC(=O)N2CCC(C(=O)Nc3ccc(SC#N)cc3)CC2)cc1 1860593086 YHIDLDCTFMDBCR-UHFFFAOYSA-N 453.564 4.305 50 10 JIGE CC(C)(C)OC(=O)N[C@H](CBr)[C@@H]1CN(Cc2ccccc2)C2(CCOCC2)C1 1885093452 NHGIMTVZSZXLOI-RBUKOAKNSA-N 453.421 4.346 50 10 JIGE O=C(CBr)c1c(OC(F)F)cc(I)cc1OC(F)(F)F 2060376235 ZJHJVYKOBQIWPB-UHFFFAOYSA-N 474.945 4.369 50 10 JIGE C[C@]12CN(C(=O)c3cc(I)ccc3Br)C[C@@]1(CBr)C2 2109180798 BXZISYVPCFMOLY-KBPBESRZSA-N 498.984 4.301 50 10 JIGE CN([C@@H]1CN(Cc2ccccc2)C(C)(C)C1)S(=O)(=O)c1ccc(CBr)cc1 2154833937 YOLXTXWPEWJNOU-IBGZPJMESA-N 451.430 4.255 50 10 JIGE CO[C@H]1C[C@H](O[C@H](CI)c2ccc(Br)cc2)C[C@H]1OC 2166412538 DQYNOLVTKUMXEV-APIJFGDWSA-N 455.130 4.134 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2CC=CC[C@H]2CBr)cc1Br 2176377553 IZYYXDKVLHKASS-JTQLQIEISA-N 488.039 4.234 50 10 JIGE Cc1nc(-c2ccc(I)c(F)c2)nc(O)c1CCCBr 2237095830 NTVFSEFNNPHSLZ-UHFFFAOYSA-N 451.077 4.229 50 10 JIGE Cn1c(SCC(=O)NN=CC=Cc2ccccc2)nnc1-c1cccc(Br)c1 2295967761 NVQFITPEKYCEQB-UHFFFAOYSA-N 456.369 4.152 50 10 JIGE COCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2C)C(C)=C(C#N)C1=O 2314618051 GISIMLHPKLFBJL-UHFFFAOYSA-N 496.567 4.485 50 10 JIGE CCOc1ccc(N(C(=O)C(C#N)=Cc2ccccc2OC)S(=O)(=O)c2ccccc2)cc1 2314777589 LRIPHDJSBBPMQT-UHFFFAOYSA-N 462.527 4.423 50 10 JIGE O=C(N[C@@H]1CC[C@H]2C[C@@]21CBr)c1ccc(Cl)cc1I 2340056106 CHKGIFFCGMPZNZ-REAQECSSSA-N 454.533 4.238 50 10 JIGE CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)Cc1ccc(Cl)cc1 14650329 FRSBZEJBEXKXLW-UHFFFAOYSA-N 498.830 4.160 50 10 JIGE Cn1cc(C(=O)NN[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)c2ccccc21 15501161 LXLDVEPUOMDYIA-JOCHJYFZSA-N 477.908 4.354 50 10 JIGE COc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)Nc3cccc([N+](=O)[O-])c3)c(C)c21 40813205 NWMYWHGZFDDWSE-NLRVBDNBSA-N 462.462 4.228 50 10 JIGE O=C(N/N=C/c1cccc(Cl)c1O)[C@@H]1CCCN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 59202461 GUKMWUVSSIWZQA-CJEGQJQSSA-N 456.808 4.092 50 10 JIGE Cc1ccc(CNC(=O)/C(C#N)=C2/N=C(NC(=O)c3cccc(Cl)c3)c3ccccc32)cc1 102605550 MDKSWCYLERQPLY-GHVJWSGMSA-N 454.917 4.390 50 10 JIGE CNC(=O)/C(C#N)=C1/S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(Cl)cc1 102976086 SEROIOZAUZLWLU-PBEQFFAXSA-N 476.783 4.275 50 10 JIGE CCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c(OC)c2)C1=O 214207920 MVJOMADFPDTSDQ-BKUYFWCQSA-N 468.513 4.169 50 10 JIGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\NCc1cccc(Br)c1 217254372 OCGFGAOFFQYJNY-KAMYIIQDSA-N 496.146 4.498 50 10 JIGE CC(CBr)(CBr)NC(=O)c1cc(Cl)ccc1I 232761697 QQMGYAHEUYBMDO-UHFFFAOYSA-N 495.380 4.223 50 10 JIGE C[C@H](CCCBr)NC(=O)c1cc(Br)ccc1I 235419805 XQWGCPNAIIVPPE-MRVPVSSYSA-N 474.962 4.347 50 10 JIGE C[C@H]1CN(C(=O)c2cc(Cl)ccc2I)C[C@@H](C)[C@@H]1Br 688086427 MUZZLKBLTFOVDR-WOFXILAISA-N 456.549 4.436 50 10 JIGE CC[C@@H]1CCCCN1C(=O)[C@H](C)OC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1 761399782 CPTUBAFQEVHTTC-JSRQMMCBSA-N 459.550 4.094 50 10 JIGE C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@H]1C[C@H](Br)C1 1877387771 GNKMEADEMRUATL-BZUAXINKSA-N 457.368 4.203 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCNC[C@]12C[C@H](CCN1C(=O)OC(C)(C)C)C2 1904636815 VCFCSELBKGVRCQ-NBEIKUQISA-N 461.694 4.272 50 10 JIGE C[C@@H](Br)C1(NC(=O)c2cc(I)ccc2Br)CC1 1913518725 VJTRXWPOAMBVGL-SSDOTTSWSA-N 472.946 4.100 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CC[C@@](F)(CBr)C1 1917141703 VGVCAAWHEHQAKI-GFCCVEGCSA-N 490.936 4.003 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@H](Cl)CC2(CC2)C1 1925986686 FGBWMQLJXGOCPP-SNVBAGLBSA-N 454.533 4.287 50 10 JIGE C[C@H]1CN(c2ncc(I)cc2Br)CC[C@@H]1CBr 2015757072 OGMJOPBTVOXORH-DTWKUNHWSA-N 473.978 4.306 50 10 JIGE CCOC(=O)Cc1cc(Br)c(CBr)c(I)c1 2054975547 VQHUOBQBXSVKMW-UHFFFAOYSA-N 461.919 4.054 50 10 JIGE O=C(Cl)c1cc(I)c(OC(F)(F)F)c(I)c1 2060019072 IXJIIILDDCXLOW-UHFFFAOYSA-N 476.357 4.173 50 10 JIGE C[P@]1(=O)C[C@@H](Br)[C@H](NC(=O)c2ccc(Br)cc2Br)C1 2121336063 DSPBOIFWRQAHLU-BFKGZMGPSA-N 473.927 4.080 50 10 JIGE COC(=O)c1cc(Br)cc(Br)c1NC(=O)C1CC(Br)C1 2196890465 JEHXXSZCAHUZEI-UHFFFAOYSA-N 469.955 4.110 50 10 JIGE Cc1cc(C(=O)N2CCC([C@@H](F)CBr)CC2)ccc1I 2207104420 GHBZDWPUECFDKJ-ZDUSSCGKSA-N 454.121 4.185 50 10 JIGE Cc1ccc(I)c(C(=O)N2[C@H]3CC[C@H]2[C@@H](F)[C@@H](Br)C3)c1 2240925401 XWUJATCCGGSRSX-RETIQXCHSA-N 452.105 4.078 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1C[C@@H](Br)CC12CCC2 2268353292 SOLQJNXDXIBTMB-JTQLQIEISA-N 454.533 4.477 50 10 JIGE CCc1ccc(N2C(=O)[C@@H](Cc3cccc(C(F)(F)F)c3)SC2=C(C#N)C(=O)NC)cc1 2314592707 ACGQWYSHDPEWIT-LJQANCHMSA-N 459.493 4.440 50 10 JIGE CCc1ccccc1OCC(=O)Oc1ccc(C=C(C#N)C(=O)NCc2ccco2)cc1OC 2314737756 QLALRKHDDMUSQJ-UHFFFAOYSA-N 460.486 4.058 50 10 JIGE COc1c(Br)cc(C)c([C@H](Br)CS(C)(=O)=O)c1Br 2317427130 SCMDMGQIKXJDQP-MRVPVSSYSA-N 465.001 4.009 50 10 JIGE O=C(N[C@H]1C[C@H]2C[C@H]1C[C@H]2Br)c1ccc(Cl)cc1I 2340066675 SYPXSRZWBCJRGP-DQRYNJFASA-N 454.533 4.236 50 10 JIGE CCCOc1ccccc1C(=O)NNC(=S)NC(=O)CCCOc1ccc(Cl)cc1Cl 14026368 NEGTXJOJAUKZRR-UHFFFAOYSA-N 484.405 4.277 50 10 JIGE C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=S)NC(=O)/C=C/c1cccc2ccccc12 14031748 XMPRXAKNELZYAT-ZWFBASDOSA-N 469.566 4.496 50 10 JIGE CCCCCCOc1ccccc1C(=O)NNC(=O)c1ccccc1I 14032630 KTHSQMHRJKFXPR-UHFFFAOYSA-N 466.319 4.325 50 10 JIGE COCCOc1ccccc1C(=O)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 14659201 HETSIEIBARTSLO-UHFFFAOYSA-N 489.572 4.336 50 10 JIGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)c1 38684861 NVHLRTNHYAFGRG-RUZDIDTESA-N 487.468 4.196 50 10 JIGE Cc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4ccc5c(c4)OCCO5)c(C)c32)cc1 40804835 RLXRCBUJDDHWSA-TURZUDJPSA-N 459.502 4.390 50 10 JIGE COC(=O)c1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc(C)c2)CCC3)cc1 40811395 RQJCZWHGZCIDPB-VFCFBJKWSA-N 459.502 4.406 50 10 JIGE COC[C@H](C)NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 40822517 NDQRRWACPZJYJX-VKHFSYIUSA-N 459.546 4.490 50 10 JIGE O=C(N/N=C1\C(=O)N(Cc2ccc(Cl)cc2)c2ccc(Br)cc21)c1cccnc1 40846225 YLCZTPQAKFJXRJ-PLRJNAJWSA-N 469.726 4.178 50 10 JIGE CCCCCOc1ccc(/C=C2\C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)cc1OCC 214329510 BWVHFNODSNRSBY-RUAJRXAUSA-N 452.551 4.426 50 10 JIGE CCOc1cc(/C=C2\C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1 214329941 XUSKCHFTHMJOHZ-QPHMKDBKSA-N 472.541 4.436 50 10 JIGE CCOc1cc(/C=C2\C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1 214430392 NIHVROGUIWNZAM-HAHDFKILSA-N 488.540 4.210 50 10 JIGE CC(C)CCN(C)c1ccc(C=NNC(=O)C(=O)NN=Cc2ccc(N(C)CCC(C)C)cc2)cc1 252609323 HRPLKYNXZYLPTR-UHFFFAOYSA-N 492.668 4.252 50 10 JIGE CCC(=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 253986705 CBGUOGMQLZIXBE-BJYHPFKFSA-N 466.977 4.103 50 10 JIGE COC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C(=O)NN=Cc1ccc([N+](=O)[O-])s1 254791647 OXHGKPBUHMDNOH-UHFFFAOYSA-N 469.262 4.169 50 10 JIGE Cc1ccc(C=NNC(=O)[C@@H](C)Sc2nnc(CNc3ccccc3)n2-c2ccccc2)o1 263630065 FOQGOEFNGLNSBD-GOSISDBHSA-N 460.563 4.412 50 10 JIGE O=C(COc1cccc2cccnc12)NN=Cc1ccc(OCc2cccc(C(=O)O)c2)cc1 263632397 IGVQUJZCHWSMEV-UHFFFAOYSA-N 455.470 4.041 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OCCOc2ccccc2)C1 310598840 KMTCREWCFCOTGE-LJQANCHMSA-N 461.340 4.287 50 10 JIGE Brc1ccc([C@H]2CN(Cc3ccccc3)C[C@@H]2CI)cn1 382732790 VJGSHQFUDGYULI-JKSUJKDBSA-N 457.153 4.495 50 10 JIGE O=[N+]([O-])c1sc(CBr)cc1N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@H]21 404199927 QSNWHZWKVQSWPY-QZTJIDSGSA-N 452.374 4.031 50 10 JIGE O=C(c1scc(Br)c1Br)N1CCSC[C@H]1CBr 707817918 GQKTYBSIEBTDBN-ZCFIWIBFSA-N 464.042 4.226 50 10 JIGE C[C@@H](Br)[C@@H]1CCN(C(=O)c2ccc(I)c(Br)c2)C1 721605955 UQFSIFGARTTXPW-PSASIEDQSA-N 486.973 4.299 50 10 JIGE CC(=O)CCc1ccc(OCC(=O)NNc2ccc(-c3cccc(C(F)(F)F)c3)nn2)cc1 1157421441 KBFPDXXIMAVRLW-UHFFFAOYSA-N 458.440 4.206 50 10 JIGE C#CCOc1cc(F)ccc1NC(=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1 1201314945 VVRIGCCFMYTFSU-UHFFFAOYSA-N 451.429 4.022 50 10 JIGE C#CCN1CCCN(C(=O)/C(C#N)=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)CC1 1628350758 LOWGXAFTKZVOIF-XSFVSMFZSA-N 455.389 4.475 50 10 JIGE C=C(C)[C@H](NC(=O)NNc1cc(C(=O)OC)ccc1Br)c1ccc(F)c(F)c1 1634435405 MWNSAMMQVBQLRB-KRWDZBQOSA-N 454.271 4.457 50 10 JIGE Cc1c(C(=O)NNc2ccccc2)oc2c1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772747705 QBMVDLJEQLKAPL-UHFFFAOYSA-N 494.367 4.334 50 10 JIGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(C)cc2)cc(OC)c1OC 1865693103 ROCDSSDYZZRIAX-SFHVURJKSA-N 486.450 4.444 50 10 JIGE Cn1cccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1c(F)cccc1Cl 1865699223 NSTMXTTWHRUATC-OAHLLOKOSA-N 451.811 4.299 50 10 JIGE CN(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1ccccc1 1866698959 UCBXPRRKHCDVBM-BJKOFHAPSA-N 458.587 4.229 50 10 JIGE C[C@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1cc(Br)cs1 1914348669 PYEGRARLQSWBOF-LLVKDONJSA-N 453.221 4.485 50 10 JIGE C[C@@H]1C[C@H]1N(CCBr)c1ncc(I)cc1Br 1988531393 SBCXYMGCRXCOAG-GMSGAONNSA-N 459.951 4.058 50 10 JIGE O=C(N[C@@H]1CC[C@@H](Br)C1)c1ccc(I)c(Br)c1 2008598795 RWBHDULUXUPDAB-RKDXNWHRSA-N 472.946 4.100 50 10 JIGE O=C(CBr)c1c(C(F)(F)F)ccc(OC(F)F)c1I 2060377270 HXQQIUMNVXMWSU-UHFFFAOYSA-N 458.946 4.489 50 10 JIGE O=C(NC[C@]1(F)C[C@@H](CBr)C1)c1cccc(Br)c1Br 2112238566 YJNIKRXSUCJEIC-KTLJEJPDSA-N 457.963 4.455 50 10 JIGE CSC(C)(C)CN(C)S(=O)(=O)c1cc(CBr)sc1Br 2123200140 DAHGZCFHPUCXBO-UHFFFAOYSA-N 451.271 4.168 50 10 JIGE Cc1c(Br)ccc([C@H](Br)[C@@H]2[C@H]3CS(=O)(=O)C[C@H]32)c1Br 2138876537 QKFLFRFXUNCAOI-JQEKQURRSA-N 473.024 4.247 50 10 JIGE CC[C@H]1CN(S(=O)(=O)CCC(CCl)CCl)[C@H](CC)CN1C(=O)OCc1ccccc1 2163052206 AZUQGYJPEYWISY-VQTJNVASSA-N 479.470 4.312 50 10 JIGE O=C(c1cc(Br)cc(Br)c1)N1CCC[C@@H](OCCBr)C1 2170213991 PFNXADHMFRCKDO-CYBMUJFWSA-N 469.999 4.228 50 10 JIGE COCC(C)(C)N(Cc1ccccc1)S(=O)(=O)c1cc(CBr)n(C2CC2)c1 2179859041 XIZNIIWJMOKBCL-UHFFFAOYSA-N 455.418 4.334 50 10 JIGE CCC[C@@H]1CN(C(=O)c2cccc(F)c2I)C[C@@H]1CBr 2205684022 PVUJQKRXMNZSQY-MNOVXSKESA-N 454.121 4.314 50 10 JIGE BrC[C@H]1CO[C@@H]2CN(Cc3cc(Br)ccc3Br)C[C@@H]21 2330876445 AYWNWAOCRVAODP-ZKYQVNSYSA-N 454.000 4.053 50 10 JIGE Cc1ccc(-c2csc(C(C#N)=C(O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n2)cc1C 2331385386 YUERTOGCPAXLIU-UHFFFAOYSA-N 460.471 4.424 50 10 JIGE CC(C)C[C@H](CBr)CN(C)Cc1c(Br)c(Br)nn1C 2353833426 DMPGLSBWFQPRFG-SNVBAGLBSA-N 460.052 4.434 50 10 JIGE COCCn1nc(Br)nc1C[C@@H](Br)c1ccc(Br)cc1 2382061157 JGSSLLPVAZTYBB-LLVKDONJSA-N 467.987 4.128 50 10 JIGE CC(C)COc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(OCc3ccccc3)cc2)c1 10283952 JZPJUOWUNWWAER-UHFFFAOYSA-N 477.586 4.250 50 10 JIGE COc1ccccc1C(=O)NNC(=O)c1cc(Br)ccc1OCCc1ccccc1 14665586 WLRUTWZLYBENBV-UHFFFAOYSA-N 469.335 4.154 50 10 JIGE COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NNC(=O)c2cn(C)c3ccccc23)c(OC)c1 24476263 LMFCCQOFULMDMI-UHFFFAOYSA-N 495.539 4.123 50 10 JIGE N#C/C(=C/c1c(Oc2ccccc2Cl)nc2ccccn2c1=O)C(=O)NCc1ccccc1 33612414 DFLBRXBEQOXTMG-JXAWBTAJSA-N 456.889 4.364 50 10 JIGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNC(=O)COc1ccc(Cl)cc1Cl)c1nc3ccccc3nc12 35549184 YSFKCNPUOWIQQL-RPBOFIJWSA-N 499.398 4.492 50 10 JIGE CCCCc1ccc(Nc2ncnc(NNC(=O)c3ccccc3[N+](=O)[O-])c2[N+](=O)[O-])cc1 40581280 HNXHARQHGZXIHJ-UHFFFAOYSA-N 451.443 4.136 50 10 JIGE CC(=O)c1ccc(Nc2ncnc(NNC(=O)COc3ccc(Cl)cc3Cl)c2[N+](=O)[O-])cc1 40649713 PNCAWUNQYOOLTJ-UHFFFAOYSA-N 491.291 4.160 50 10 JIGE N#C/C(=C\c1cccn1-c1ccc(Br)cc1)C1=NN(c2ccccc2)[C@H](N)[C@@H]1C#N 103792411 FOQXPDSDGJLLSQ-ARRMIMIWSA-N 457.335 4.448 50 10 JIGE CCC(CBr)(CBr)NS(=O)(=O)c1cc(Cl)ccc1Cl 232874014 QHAPHPBWYJSDSU-UHFFFAOYSA-N 454.011 4.210 50 10 JIGE CC(C)(C)[Si](OC[C@@H]1[C@@H](O[C@H]2CCCCO2)C[C@H]2OC(=O)C[C@H]21)(c1ccccc1)c1ccccc1 248159566 KKUBBAJCNWPXGW-HIBXFOCJSA-N 494.704 4.426 50 10 JIGE CC(C)(CNC(=O)c1cc(Br)sc1Br)OCCBr 381181509 KANFUVVDWMDEGZ-UHFFFAOYSA-N 464.017 4.193 50 10 JIGE C[C@@H]1CN(C(=O)c2cc(I)ccc2Br)C[C@@H](C)C1Cl 688087101 PBCYLTHISNTQBH-RKDXNWHRSA-N 456.549 4.389 50 10 JIGE C[C@@H]1CN(C(=O)c2ccc(I)c(Cl)c2)C[C@@]1(C)CBr 694707242 INTZDHLADZVXBI-YMTOWFKASA-N 456.549 4.438 50 10 JIGE NNC(=O)c1csc(COc2c(Br)cc(Br)cc2Br)c1 711237726 XRKPNWLPSKDSED-UHFFFAOYSA-N 484.995 4.218 50 10 JIGE O=C(NCC1(CBr)CCC1)c1cc(Br)ccc1I 717681386 RKSNGYPLFPHMJS-UHFFFAOYSA-N 486.973 4.349 50 10 JIGE CC(C)CC(=O)N[C@@H](C(=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1)c1ccccc1 727363843 FOWGKHAGOVPGIQ-RUZDIDTESA-N 477.536 4.069 50 10 JIGE O=C(COc1ccc(Cl)c(Cl)c1)NNc1ccc(S(=O)(=O)Nc2ccccc2)cc1 728217996 WSGFZNGOLSOMON-UHFFFAOYSA-N 466.346 4.316 50 10 JIGE COc1ccc(N([C@H](C)C(=O)NN=Cc2cc(C)n(-c3ccc(C)c(C)c3)c2C)S(C)(=O)=O)cc1 1084214710 CJKMFNXQEXXKRW-OAQYLSRUSA-N 496.633 4.024 50 10 JIGE O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)NN=Cc1ccc(Br)cc1 1084339396 PWEDFYRGAAXYFZ-UHFFFAOYSA-N 451.327 4.209 50 10 JIGE COc1ccc(Cl)cc1C(=O)Nc1ccccc1C(=O)NN=Cc1cccc2c1OCO2 1084400665 SSKNUXJGANCLSJ-UHFFFAOYSA-N 451.866 4.094 50 10 JIGE COc1ccc(C(=O)Oc2ccc(/C=C(/C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2OC)cc1 1084489546 YEOLKCFXUNZKHM-PDGQHHTCSA-N 473.441 4.377 50 10 JIGE Cc1cc2ncn(CC(=O)NN=C3C(=O)N(Cc4ccccc4Cl)c4ccccc43)c2cc1C 1084519809 JGFQZKPWDNJRKO-UHFFFAOYSA-N 471.948 4.374 50 10 JIGE CC(=O)c1c(C)[nH]c(C(=O)NNc2ccc(S(=O)(=O)Nc3ccccc3)cc2)c1C(C)C 1160678834 SIVRMCWMQCMHAY-UHFFFAOYSA-N 454.552 4.207 50 10 JIGE C#C[C@H](NC(=O)/C(C#N)=C/c1cc(C)n([C@@H](C)COC)c1C)c1ccc(Br)cc1 1436651196 LXUVJDYPRZSVJQ-ZUJCYQQTSA-N 454.368 4.473 50 10 JIGE COc1cc(C=NNC(=O)COc2cc(C)c(Br)cc2C(C)C)cc([N+](=O)[O-])c1O 1772754677 PCKFDQVFBGJXGT-UHFFFAOYSA-N 480.315 4.032 50 10 JIGE COc1cc(C=NNC(=O)COc2ccc(-c3ccccc3)cc2Br)ccc1O 1772754762 UFWLPRDHFSUSBF-UHFFFAOYSA-N 455.308 4.359 50 10 JIGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(OC)cc1)C(C#N)=C(N)O2 1865713110 QZRYYYPIQLLJFU-IBGZPJMESA-N 451.324 4.424 50 10 JIGE N#C/C(=C(/O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1nc(-c2ccc3c(c2)OCCO3)cs1 1872750302 ASEWQMKQZFZNMZ-QJOMJCCJSA-N 492.513 4.276 50 10 JIGE Cc1cc(=O)oc2cc(OCC(=O)N/N=C/c3ccc(OCc4ccc(F)cc4)cc3)ccc12 1873792407 BHFWBMDDGZLQLU-CCVNUDIWSA-N 460.461 4.349 50 10 JIGE CC[C@@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)OCCCO2 1915087864 BLKNNQNRHSJPRN-QGZVFWFLSA-N 454.386 4.212 50 10 JIGE CN(C[C@@H](Br)COCc1ccccc1)S(=O)(=O)c1cc(Br)cs1 1916355780 YTIILIMOMNMJLO-CQSZACIVSA-N 483.247 4.111 50 10 JIGE CC(C)[C@H](CI)NC(=O)c1cccc(Br)c1Br 1943884602 ASOXPWVRQOIPNN-JTQLQIEISA-N 474.962 4.401 50 10 JIGE C[C@@H](CCCBr)NC(=O)c1ccc(Br)cc1I 2026217369 KIYMIXGXPXZRBC-QMMMGPOBSA-N 474.962 4.347 50 10 JIGE O=C(CBr)c1cc(I)c(Br)cc1Br 2054855096 HSYWLYYOZWNFQC-UHFFFAOYSA-N 482.735 4.394 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CC=CC[C@H]1CBr 2056314552 HVSQFPRSQYKDIP-JTQLQIEISA-N 484.957 4.219 50 10 JIGE C[C@H](CO[C@@]1(CI)CCCN(C(=O)OC(C)(C)C)C1)N1CCCCC1 2066643840 CBGIGRJEZNCLEJ-VQIMIIECSA-N 466.404 4.082 50 10 JIGE O=C(c1cc(Br)c(Br)s1)N1CC2(C1)OCCC[C@@H]2Br 2103414536 RNWTZBRHYPLJAT-VIFPVBQESA-N 474.012 4.042 50 10 JIGE C[C@H](CBr)N1CCN(Cc2cccc(Br)c2Br)CC1 2113064941 WNVVEUZZBMCLTK-LLVKDONJSA-N 455.032 4.113 50 10 JIGE CC(F)(F)C[C@@H](CBr)NC(=O)c1cc(Cl)ccc1I 2113236151 RBMCIJXGKCZHOG-QMMMGPOBSA-N 466.491 4.483 50 10 JIGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1C[C@@H](Br)C2(CC2)C1 2149758695 ZKYYHYHTVKZWQB-SNVBAGLBSA-N 464.006 4.304 50 10 JIGE Cc1c(CBr)cc(Cl)cc1S(=O)(=O)N1CCN(Cc2ccccc2)[C@H](C)C1 2179862051 QCALWTCUEJJKFL-OAHLLOKOSA-N 471.848 4.438 50 10 JIGE CN(C[C@@H](Cl)COCc1ccccc1)S(=O)(=O)c1ccc(F)c(Br)c1 2224017351 BFRGILXEKFERTP-CQSZACIVSA-N 450.757 4.033 50 10 JIGE COc1ccc(-n2c(C)cc(C=C(C#N)C(=O)NC[C@@H](O)c3ccc(F)c(F)c3)c2C)cc1 2297444513 JUDOZHZZEBTKPX-XMMPIXPASA-N 451.473 4.138 50 10 JIGE CNC(=O)C(C#N)=C1S[C@@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(OC)cc1 2314593759 SGXKNSLQERDQSS-SFHVURJKSA-N 462.358 4.174 50 10 JIGE CC(C)(C)OC(=O)N1C[C@H](I)[C@H](O[C@H]2CCOc3ccc(F)cc32)C1 2317049833 DKSNASVCYIHIGS-CWRNSKLLSA-N 463.287 4.089 50 10 JIGE O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)NN=Cc1ccccc1C(F)(F)F 2318792682 HINJKIMCSKXALY-UHFFFAOYSA-N 456.449 4.294 50 10 JIGE CC(=O)Nc1ccc(NC=C(C#N)C(=O)Nc2ccc(I)cc2C)cc1 2325405774 SGAKKGTVBNIUJK-UHFFFAOYSA-N 460.275 4.016 50 10 JIGE CCn1nc(Br)c(COc2cccc(Br)c2CBr)n1 2351857298 ZASNKSVSIVYRTK-UHFFFAOYSA-N 453.960 4.297 50 10 JIGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1C[C@@H]2C[C@H]1[C@H]2CBr 2358060629 WAFKYEFLYOVIQL-RASWFIQWSA-N 464.006 4.160 50 10 JIGE O=S(=O)(N[C@H]1C[C@@H](CBr)C12CCC2)c1cc(Cl)c(Br)s1 2379716235 BTACCJAKRFFYNT-CBAPKCEASA-N 463.644 4.396 50 10 JIGE CCC(C)(C)c1ccc(OCC(=O)NNC(=O)COc2ccc(Br)c(C)c2)cc1 14784132 ADQVYLXMLMYNOA-UHFFFAOYSA-N 463.372 4.050 50 10 JIGE CCOC(=O)c1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(O)cc1)CCC2 40812113 UATSZOMBNVPHNF-VFCFBJKWSA-N 475.501 4.193 50 10 JIGE COc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)COc2ccccc2)CCC3)c(OC)c1 40816089 HHZJQAMNVMIBGL-VFCFBJKWSA-N 477.517 4.093 50 10 JIGE CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c(F)c2)C1=O 101332475 DXKWJNPLCFYUOR-UDWIEESQSA-N 456.477 4.299 50 10 JIGE COc1ccccc1/C=C(\C#N)C(=O)Oc1ccc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1OC 206397907 CHISHYKHNSMENG-JWBURUHRSA-N 493.519 4.440 50 10 JIGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)cc1 254530679 ITRPVXCTEJLKIP-UHFFFAOYSA-N 478.501 4.094 50 10 JIGE O=C(NN=Cc1c(O)ccc2ccccc12)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1 254578726 ILRQYUSRXCFPPO-UHFFFAOYSA-N 454.442 4.470 50 10 JIGE COc1ccccc1NC(=O)C(=O)NN=Cc1c(OC(=O)c2cccc(C)c2)ccc2ccccc12 254729837 JGGLCUGIUNURSU-UHFFFAOYSA-N 481.508 4.465 50 10 JIGE CC(C)[C@H](Br)C(=O)Nc1ccc(Br)c(I)c1 300986479 UAHADNUPCBMSAD-JTQLQIEISA-N 460.935 4.412 50 10 JIGE CN(CCCCBr)C(=O)c1cc(Br)ccc1I 385137728 MQDMVMKPPVZBGC-UHFFFAOYSA-N 474.962 4.301 50 10 JIGE CC[C@@H]1[C@H](CBr)CCN1S(=O)(=O)c1cc(Cl)c(Br)s1 385897501 ODRNBXFTBAIUHZ-IONNQARKSA-N 451.633 4.348 50 10 JIGE FC(F)(F)Oc1cc(I)c(Br)c(CBr)n1 396180681 MZHLWUHIJXIJAK-UHFFFAOYSA-N 460.813 4.242 50 10 JIGE C[C@H]1CN(C(=O)c2ccc(I)c(Br)c2)C[C@]1(C)CCl 721619490 GRPSJOYQRMKBMI-XPTSAGLGSA-N 456.549 4.391 50 10 JIGE Cc1ccccc1COC(=O)/C(C#N)=C\c1cn(CCC(N)=O)nc1-c1ccc(Br)cc1 765742751 CCHZJXJKDNOSPM-UNOMPAQXSA-N 493.361 4.147 50 10 JIGE Cc1cccc(NC(=O)CN(C)C(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)c1C 914462238 FAKPLNNZLGGUDN-PXLXIMEGSA-N 466.545 4.085 50 10 JIGE CC(C)(NC(=O)CCS(=O)(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(SC#N)cc1 1866810524 ZQFGRDVCIAMUOB-UHFFFAOYSA-N 487.647 4.255 50 10 JIGE CC[C@@](C)(NC(=O)c1nc(C(F)(F)F)n2ccccc12)C(=O)Nc1ccc(SC#N)cc1 1867288022 WCUWYXMSJXASNE-HXUWFJFHSA-N 461.469 4.463 50 10 JIGE O=C(NC1CC([C@H](F)CBr)C1)c1c(Br)cccc1Br 1906548249 GPFOAAYLYAGRER-OIAXGBPSSA-N 457.963 4.453 50 10 JIGE O=S(=O)(c1cc(CBr)sc1Br)N1CC[C@@H](OCc2ccccc2)C1 2009622279 OXTZZQOLOWFJRZ-CYBMUJFWSA-N 495.258 4.385 50 10 JIGE Cc1sc(Br)cc1S(=O)(=O)NCCSSCCNC(=O)OC(C)(C)C 2061270408 NODSOLLOAHVHLD-UHFFFAOYSA-N 491.520 4.003 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CC[C@H](Cl)C2(CC2)C1 2093178131 JFOAZTGNPAQEBB-LBPRGKRZSA-N 454.533 4.287 50 10 JIGE O=C(c1cccc(Br)c1Br)N1C[C@@H]2CC(Br)C[C@H]2C1 2128642279 VJWYGTITOZCXAT-IUCAKERBSA-N 451.984 4.457 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CC[C@@H](Cl)C12CCC2 2142282463 DNOMDQLFPLYGMB-GFCCVEGCSA-N 454.533 4.430 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@H](CBr)C2(CC2)C1 2144088690 QFMACYGQZIBAIC-VIFPVBQESA-N 488.039 4.007 50 10 JIGE CN([C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1)S(=O)(=O)c1ccc(CBr)cc1 2163050682 LYUCRYYWTOAGMQ-HOTGVXAUSA-N 461.422 4.038 50 10 JIGE CCCCO[C@@H]1[C@@H](Br)C[C@@H]1Oc1ccc(OC)c(I)c1 2174964934 JVSPNCMMRNESNH-TUKIKUTGSA-N 455.130 4.400 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OC2(C3CCCC3)COC2)C1 2260116947 JDYJMVQXYRZQBU-SFHVURJKSA-N 465.372 4.167 50 10 JIGE CC[C@@H]1[C@@H](Br)CCN1C(=O)c1ccc(I)c(Br)c1 2260370613 DPWFLIPLEDETEZ-JOYOIKCWSA-N 486.973 4.442 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1CCS[C@H](CCBr)C1 2268350010 RULGZDJOSMPOMI-SNVBAGLBSA-N 474.589 4.287 50 10 JIGE O=C(c1c(F)cccc1I)N1C[C@@H](CBr)C2(CCC2)C1 2282810869 XMHJKINKQUENJI-SNVBAGLBSA-N 452.105 4.068 50 10 JIGE CC(C)(C)OC(=O)NC1C[C@@H]2CSC[C@H](C1)C21CC[C@@](C)(CI)O1 2302387273 HWDFILKZAQQPKL-INWSAYAOSA-N 467.413 4.396 50 10 JIGE O=C(N[C@@H](CCCl)COCc1ccccc1)c1cccc(F)c1I 2303701550 AICVDGJYCCRZSN-AWEZNQCLSA-N 461.702 4.374 50 10 JIGE CCCCOc1ccc(C=C(C#N)C(=O)Oc2ccc(C=C(C#N)C(=O)OC)cc2OC)cc1 2314734703 FTOCIIYSJGMGSP-UHFFFAOYSA-N 460.486 4.467 50 10 JIGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)c2sc3ccccc3c2Cl)c(OC)c1 2314792526 NFBAELDDDIVZHW-UHFFFAOYSA-N 470.934 4.452 50 10 JIGE COc1cc(F)c(CO[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2I)c(Cl)c1 2317107637 PXCOBKDBCHTJRZ-CABCVRRESA-N 485.721 4.427 50 10 JIGE COCCN(Cc1ccc(I)c(Br)c1)C[C@@H](C)Br 2325213469 KMDTZVDTAKFALU-SNVBAGLBSA-N 491.005 4.286 50 10 JIGE CN1C(=O)[C@]2(C(C#N)=C(N)N(c3cc(Cl)cc(Cl)c3)C3=C2C(=O)CCC3)c2ccccc21 623095 BQPVBLMBMZBWJM-DEOSSOPVSA-N 465.340 4.429 50 10 JIGE Cc1ccc(O[C@@H](C)C(=O)NNC(=S)NC(=O)c2cccc(OCCc3ccccc3)c2)cc1C 10154440 VXUMJOMNKRFMIU-FQEVSTJZSA-N 491.613 4.028 50 10 JIGE Cc1ccccc1[C@@H]1c2ccsc2CCN1CC(=O)N1CCN(C(=O)C(C)(C)CCl)[C@H](C)C1 34829820 ZMTSHLRFUBMUEQ-NTKDMRAZSA-N 488.097 4.328 50 10 JIGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@@H]3COc4ccccc4O3)ccc21 38700632 BJSZRXKRECOQGO-IZZNHLLZSA-N 484.508 4.439 50 10 JIGE Cc1ccc(C(=O)NNc2ncnc(N(Cc3ccccc3)c3ccccn3)c2[N+](=O)[O-])cc1 40657504 ZZQJQGDATKQVJX-UHFFFAOYSA-N 455.478 4.183 50 10 JIGE CCOc1ccccc1OCC(=O)N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21 40846301 CEERXDYAPMLVLN-COOPMVRXSA-N 463.921 4.185 50 10 JIGE O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1cc(Br)c(N2CCCC2)o1 59248336 LFPFUHSKDNQHDD-ZVBGSRNCSA-N 461.143 4.478 50 10 JIGE C=CCn1nc(C)c(/C=N/NC(=O)CCCSc2nc3ccc([N+](=O)[O-])cc3s2)c1C 59829824 OXXDHYDTYYKAQX-CIAFOILYSA-N 458.569 4.226 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N[C@H](C)[C@H](C)CBr)cc1Br 167734342 PNQYYZIKMIILPE-RKDXNWHRSA-N 478.044 4.218 50 10 JIGE CC1(C)CN(C(=O)c2ccc(Br)cc2Br)C[C@@H](CBr)O1 232802145 TXBJKJHFZHNZMU-SNVBAGLBSA-N 469.999 4.226 50 10 JIGE O=C(Oc1cccc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)c1)c1ccc2c(c1)OCO2 254498845 GRZMUUNUNHRNAD-UHFFFAOYSA-N 494.503 4.021 50 10 JIGE C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)NN=Cc2c(F)c(F)c(F)c(F)c2F)cc1 254835947 DTIYWZIQQFQVCM-STQMWFEESA-N 483.437 4.314 50 10 JIGE O=C(CBr)c1cc(I)c(OC(F)F)cc1Br 575681901 DWDNFNXRKWGCNK-UHFFFAOYSA-N 469.845 4.233 50 10 JIGE C[C@@H]1CCCN(S(=O)(=O)c2cc(Br)ccc2Br)[C@H]1CBr 688617838 MHJABFKWBCCYDO-SKDRFNHKSA-N 490.055 4.396 50 10 JIGE CS(=O)(=O)N(CC(=O)NN=Cc1ccc2c3c(cccc13)CC2)c1cc(Cl)cc(Cl)c1 1084068590 KZCBXANKYVULHA-UHFFFAOYSA-N 476.385 4.162 50 10 JIGE Cc1c(C(=O)NCCCn2ccnc2)oc2c1C(=NNC(=O)c1cccc3ccccc13)CCC2 1772749045 VWBLEQUAFARXIL-UHFFFAOYSA-N 469.545 4.228 50 10 JIGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(O)cc2O)cc1 1865681041 CWOBHRLOBIXNRC-QFIPXVFZSA-N 452.470 4.177 50 10 JIGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)c1O 1865684757 XLHDKWLEFJNRGO-MRXNPFEDSA-N 460.387 4.022 50 10 JIGE COc1ccccc1NCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1 1866888722 XIKGCJHIHZIRSH-QHCPKHFHSA-N 490.585 4.142 50 10 JIGE COc1cc2nc(/C(C#N)=C/c3ccc(OCC(=O)Nc4ccccc4)cc3)nc(O)c2cc1OC 1872727717 VOKYSIKJEPVLDV-LDADJPATSA-N 482.496 4.434 50 10 JIGE CC(C)(C)OC(=O)N[C@H](CBr)[C@H]1CN(Cc2ccccc2)[C@@]2(CCCOC2)C1 1885095953 FQUAHQCYMWUUKT-KNKQGSTJSA-N 453.421 4.346 50 10 JIGE Cc1cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC[C@H]2C)sc1CBr 1885142519 UAWSEBYSLIKAOW-MRXNPFEDSA-N 457.459 4.237 50 10 JIGE O=C(N[C@H](CBr)C[C@@H]1CCCO1)c1cccc(Br)c1Br 1926727484 JQHYVSCKHDIRJX-UWVGGRQHSA-N 469.999 4.274 50 10 JIGE C[C@H](CCCCCI)NC(=O)c1ccc(I)cc1 2054160269 BKLKHLIQDMHRJA-LLVKDONJSA-N 471.120 4.405 50 10 JIGE CC[C@H](C)[C@H](CI)NC(=O)c1ccc(I)c(C)c1 2086031079 WJUFUTSISQDAFQ-ZANVPECISA-N 471.120 4.179 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CC[C@@H]2[C@H](CBr)[C@H]2C1 2093138396 SZYCNDYRGYEEOC-USWWRNFRSA-N 498.984 4.157 50 10 JIGE CC[C@H](CBr)CNS(=O)(=O)c1cc(Br)c(C)cc1Br 2098058322 YPPNPHPTUPNDHP-SECBINFHSA-N 478.044 4.219 50 10 JIGE O=C(N[C@H]1C[C@H]2C[C@H]1C[C@H]2Br)c1cc(Cl)ccc1I 2104409963 BREUYECUIWEGBU-DQRYNJFASA-N 454.533 4.236 50 10 JIGE C[C@]12CN(C(=O)c3ccc(I)c(Br)c3)C[C@@]1(CCl)C2 2109189008 ZFULWKXLYITNHM-KBPBESRZSA-N 454.533 4.145 50 10 JIGE O=C(c1cccc(Br)c1Br)N1C[C@@H]2[C@@H](CBr)C[C@H]2C1 2117689293 LZAOPXNGTNQNGI-WCABBAIRSA-N 451.984 4.315 50 10 JIGE BrC[C@@H]1CO[C@@H]2CN(Cc3cccc(Br)c3Br)C[C@H]12 2121592314 LOLYYEVXCUJXJY-NQBHXWOUSA-N 454.000 4.053 50 10 JIGE C[C@@H]1CN(S(=O)(=O)c2ccc(CBr)cc2Cl)CCN1Cc1ccccc1 2123200305 GGUVPJYUFYHSEA-OAHLLOKOSA-N 457.821 4.130 50 10 JIGE O=S(=O)(CCC(CCl)CCl)Nc1ccc(Br)c(Br)c1 2129385762 RPSVRAVTBLKCPP-UHFFFAOYSA-N 454.011 4.437 50 10 JIGE FC(F)(F)[C@@H]1CN(c2ncc(I)cc2Br)C[C@H]1CCl 2133385992 ZIDRPWDSCKSCMP-HTRCEHHLSA-N 469.470 4.302 50 10 JIGE O=C(N[C@@H]1COC2(CCC2)[C@H]1Br)c1cc(Br)sc1Br 2141543932 KPDQPWGKCHITOO-APPZFPTMSA-N 474.012 4.088 50 10 JIGE CC1(C)C[C@H](CBr)CN(C(=O)Cc2ccccc2I)C1 2172575943 WHDUTDSBXANVKC-GFCCVEGCSA-N 450.158 4.103 50 10 JIGE CCN(CC)CCN(Cc1ccccc1)S(=O)(=O)Cc1ccc(CBr)cc1 2179789269 OLFNCSBQMPHUSY-UHFFFAOYSA-N 453.446 4.255 50 10 JIGE CCN([C@H]1CCC[C@@H]1Br)S(=O)(=O)c1cc(Cl)c(Br)s1 2224417160 IJODKNYRKJABSP-CBAPKCEASA-N 451.633 4.491 50 10 JIGE C[C@@H]([C@@H](Br)c1c(F)cc(Br)c(F)c1Br)S(C)(=O)=O 2259998176 AGIDZQAGBFTSCG-RNHFCUEFSA-N 470.955 4.359 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)NC[C@H](Br)C1CCC1 2277930316 UKJANUAAZMYILI-ZDUSSCGKSA-N 454.000 4.434 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N1CC[C@@H]2[C@H](CBr)[C@H]2C1 2295308754 AJCIPNISIOEMMW-RDBSUJKOSA-N 466.011 4.244 50 10 JIGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(Cl)c(C)c2)c(OC)c1 2314790150 MPHOJKMOFSBOJU-UHFFFAOYSA-N 456.926 4.465 50 10 JIGE COc1ccc([C@@H](C)NC=C(C#N)C(=O)Nc2ccc(I)cc2C)cc1OC 2325406017 JKSPRBUEERIVCG-CQSZACIVSA-N 491.329 4.314 50 10 JIGE Cc1cc(-c2csc(C(C#N)=C(O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n2)ccc1F 2331322555 LOTVNXLUYYMBPN-UHFFFAOYSA-N 464.434 4.255 50 10 JIGE C[C@@]1(NC(=O)c2sccc2I)C[C@H]2CC[C@H]1C[C@H]2Br 2352774740 DBTIHCZEYCERAU-QOBXEIRBSA-N 454.171 4.425 50 10 JIGE Cc1cccc(C)c1O[C@H](C)C(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 14639376 BBALMPYPDGBSTG-MRXNPFEDSA-N 477.399 4.357 50 10 JIGE COc1cc(Br)c(OCC(=O)N/N=C/C(C)=C/c2ccco2)c(Br)c1 20075672 BAYRBJHFVPPPFZ-PWNPPFEMSA-N 472.133 4.398 50 10 JIGE CNC(=O)/C(C#N)=C1/S[C@@H](Cc2cccc(Br)c2)C(=O)N1c1ccc(Cl)cc1 33669600 DBYMAORMTLCVST-BJMRFWQKSA-N 476.783 4.275 50 10 JIGE Cc1ccccc1[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc2c(c1)OCO2)C(=O)CCl 97914447 DCKFWHBCHKYARE-DEOSSOPVSA-N 456.970 4.481 50 10 JIGE CCOC(=O)c1sc(NC(=O)NN=Cc2ccc(O)c(Br)c2)c(C(=O)OCC)c1C 256017342 GWDDTDHCOWWALA-UHFFFAOYSA-N 498.355 4.034 50 10 JIGE CCOC(=O)N1CCC(NC(=O)c2cccc(NC(=O)Nc3ccc(SC#N)cc3)c2)CC1 586701071 TXIIBBPRLHJRBD-UHFFFAOYSA-N 467.551 4.254 50 10 JIGE CC(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)cc1 761396135 DFAZOHZDWICXHS-CEZZIEKDSA-N 481.512 4.144 50 10 JIGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccccc2OCc2ccccc2C#N)cc1 1084588148 JFMIUULDYVFYTH-RUZDIDTESA-N 457.530 4.500 50 10 JIGE C=CCn1c(SCC(=O)NNc2cc(F)c(F)c(F)c2)nnc1-c1ccc(Cl)cc1 1466206609 KBNQTRYVVIGAIG-UHFFFAOYSA-N 453.877 4.437 50 10 JIGE COc1ccc(OC)c(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccoc2C)CCC3)c1 1772749018 IXBQHSAYZZNNQJ-UHFFFAOYSA-N 451.479 4.229 50 10 JIGE CCN(CC)c1ccc(/C=N/NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 1860773870 IDGXEAIOOUPBCR-ZTCCGZMNSA-N 465.623 4.140 50 10 JIGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)cc1O 1865682843 YPPAPTASEVCVML-QGZVFWFLSA-N 460.387 4.022 50 10 JIGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3C)cc(Br)c1O 1865688401 RCZTYVKOXVKNMA-SFHVURJKSA-N 497.349 4.181 50 10 JIGE Cc1nc(-c2ccc(F)cc2F)ccc1C(=O)NNC(=O)Cc1ccc(Br)cc1 1865759563 HAYFMVNNKGAOBY-UHFFFAOYSA-N 460.278 4.101 50 10 JIGE C[C@H](Cl)[C@@H](NC(=O)c1cc(Br)ccc1I)C(F)(F)F 1882675081 QLTHKQUDBHGKAF-SSDLBLMSSA-N 470.454 4.342 50 10 JIGE CC(C)(CBr)N(Cc1ccccc1)S(=O)(=O)c1cncc(Br)c1 1915767316 RHJZHUZRWJVCJA-UHFFFAOYSA-N 462.207 4.209 50 10 JIGE CN(C[C@H](Br)COCc1ccccc1)C(=O)c1csc(I)c1 1916371784 VCKFPXPWDMKFJY-AWEZNQCLSA-N 494.192 4.405 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N[C@@H](CCCl)C(F)F)cc1Br 1918549497 DRWJGFVJJIVHGK-VIFPVBQESA-N 455.546 4.061 50 10 JIGE BrC[C@H]1CN(c2ncc(I)cc2Br)CC12CC2 2015761970 FHHQEQZXFNERJW-QMMMGPOBSA-N 471.962 4.060 50 10 JIGE O=S1(=O)C[C@H]2C([C@@H](Cl)c3c(Br)sc(Br)c3Cl)[C@@H]2C1 2054220732 ZWAZTVHTYHMCTH-XAQAVTJOSA-N 455.020 4.497 50 10 JIGE C[C@]1(CBr)C[C@H](NC(=O)c2cc(Br)ccc2I)C1 2059454925 OWLWNVPKWYUNRF-GMZHKTEUSA-N 486.973 4.347 50 10 JIGE CCc1c(I)ccc(C(=O)CBr)c1I 2060141590 QISAULSOOQHLOB-UHFFFAOYSA-N 478.893 4.036 50 10 JIGE CC1(C)CC[C@H](CO[C@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)OC1 2076724056 CQDWAQRYQCZUGK-BEFAXECRSA-N 467.388 4.413 50 10 JIGE CO[C@@]1(CBr)CCCN(C(=O)c2csc(Br)c2Br)C1 2093942299 PDTQTEZIKGIDJW-GFCCVEGCSA-N 476.028 4.289 50 10 JIGE O=C(N[C@@H]1C[C@H](CBr)[C@H]2C[C@H]21)c1cc(Cl)ccc1I 2110548262 GKEMVELRTCACGJ-QYVSTXNMSA-N 454.533 4.094 50 10 JIGE C[C@@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)c1cnn(CCBr)c1 2123229679 LNLLRKZTTMHYHL-HNNXBMFYSA-N 454.415 4.292 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@H]2C[C@@H](Cl)C[C@H]1C2 2142291338 KOWHKLJLGJIJBA-JMJZKYOTSA-N 454.533 4.286 50 10 JIGE O=C(N[C@H]1CCCC[C@H]1CCBr)c1ccc(I)c(O)c1 2146717351 AZMOVLZRQGAMSP-GWCFXTLKSA-N 452.130 4.070 50 10 JIGE C[C@H]1CCN(Cc2ccccc2)CCN1S(=O)(=O)c1ccc(CCl)c(Br)c1 2153290271 SHTBRLXGAYMBDE-INIZCTEOSA-N 471.848 4.473 50 10 JIGE CN(Cc1ccccc1)[C@H]1CCCN(S(=O)(=O)Cc2cccc(CBr)c2)C1 2179786096 VQGBXKXPICRYHG-NRFANRHFSA-N 451.430 4.008 50 10 JIGE O=S(=O)(c1ccc(CCl)cc1Br)N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 2188889060 XFCPRXMHBPJSMT-MJGOQNOKSA-N 469.832 4.083 50 10 JIGE CN(CC[C@@H]1CC1(F)F)S(=O)(=O)c1cc(CBr)sc1Br 2196218019 AMAUQPSSENRZOG-SSDOTTSWSA-N 453.168 4.071 50 10 JIGE C#CC[C@](C)(CBr)CNC(=O)Cc1cc(Br)cc(Br)c1 2295313890 QIHDOYCDQCJZHC-OAHLLOKOSA-N 466.011 4.295 50 10 JIGE O=CC(=CNc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1nc2cc(Cl)ccc2o1 2297532491 JTSKWMFJWINMJS-UHFFFAOYSA-N 460.924 4.390 50 10 JIGE CCCNC(=O)C(C#N)=Cc1ccc(OC(=O)C(C#N)=Cc2ccc(OCCC)cc2)c(OC)c1 2314739998 CYSRCCVHBQAXKD-UHFFFAOYSA-N 473.529 4.430 50 10 JIGE C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=S)NC(=O)c1cc(Cl)cc(Cl)c1 10506164 JGGSRYKBTJQUPD-GFCCVEGCSA-N 462.358 4.250 50 10 JIGE CCCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(C(C)C)cc1 14032973 LDJXXJQTKCDFOB-UHFFFAOYSA-N 471.623 4.484 50 10 JIGE CN(C[C@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(CCl)oc1Br 720026809 SSPCIAZOBSWTBD-MRXNPFEDSA-N 475.836 4.314 50 10 JIGE CN(C)N(C(=O)c1oc2ccccc2c1CSc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 728179002 GVJPGIPVFFWITA-MRXNPFEDSA-N 479.023 4.484 50 10 JIGE Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2cc(I)c(O)c([N+](=O)[O-])c2)c1 1084371964 VOXDHESULSZGRM-MLPAPPSSSA-N 463.231 4.068 50 10 JIGE C=CC[C@@]1(C(=O)NNc2cc(OC)ccc2Br)CCCN1C(=O)OC(C)(C)C 1638167802 JOYUJNISRUGONW-FQEVSTJZSA-N 454.365 4.247 50 10 JIGE CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1cc(Br)cc(OC)c1O)C(C#N)=C(N)O2 1865695310 BJPNRTKPVSPARW-LJQANCHMSA-N 499.340 4.328 50 10 JIGE COc1ccc(C(=O)NNC(=O)c2ccc(-c3ccc(Cl)cc3Cl)nc2C)cc1[N+](=O)[O-] 1865759865 WGWFFFUKXNMPRC-UHFFFAOYSA-N 475.288 4.355 50 10 JIGE CCCC[C@@H](NC(=O)CCc1nc(O)c2ccccc2n1)C(=O)Nc1ccc(SC#N)cc1 1867260743 JEVQFDXQIMPENT-HXUWFJFHSA-N 463.563 4.155 50 10 JIGE C[C@H]1C[C@H]1N(CCBr)c1ncc(I)cc1Br 1988531394 SBCXYMGCRXCOAG-OIBJUYFYSA-N 459.951 4.058 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1COC2(CCN(C(=O)OC(C)(C)C)CC2)C1 2061267395 CKUYJICLIGRNFK-QGZVFWFLSA-N 491.720 4.041 50 10 JIGE C[C@]12CN(C(=O)c3cc(Cl)ccc3I)C[C@@]1(CBr)C2 2109180830 CBLONWMMJQNGQB-KBPBESRZSA-N 454.533 4.192 50 10 JIGE COc1cc(CBr)ccc1S(=O)(=O)N(Cc1ccccc1)CC(F)(F)F 2123269734 KDZBRLINMIUUOI-UHFFFAOYSA-N 452.292 4.343 50 10 JIGE O=C(c1ccc(F)cc1I)N1CC[C@H](Br)C(F)(F)CC1 2150019194 PTSFITWLFUYAIE-NSHDSACASA-N 462.047 4.065 50 10 JIGE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H](Br)C2CCCC2)C[C@@H]1CC(F)(F)F 2176101248 FDEOTNKRKWNZQZ-UONOGXRCSA-N 457.331 4.340 50 10 JIGE C[C@H]1CN(C(=O)c2ccc(Br)cc2Br)C[C@H](CCBr)O1 2179375763 QRHIKHMYRDXXSV-ONGXEEELSA-N 469.999 4.226 50 10 JIGE CC(C)n1cc(S(=O)(=O)N2CCC(OCc3ccccc3)CC2)cc1CBr 2179859298 BPOPVMSEYQVJSQ-UHFFFAOYSA-N 455.418 4.334 50 10 JIGE O=C(c1ccc(Br)cc1C(F)(F)F)N1C[C@H](Br)[C@H](Br)C1 2196128866 BCVRDRJCWONBLO-AOOOYVTPSA-N 479.916 4.451 50 10 JIGE Brc1cc(I)cnc1N1[C@H]2CC[C@H](Br)[C@H]1CC2 2216286910 YZMFWONOYNPDIZ-ATZCPNFKSA-N 471.962 4.343 50 10 JIGE O=S1(=O)CCC[C@@H]1[C@H](Br)Cc1cc(Br)cc(Br)c1 2263519498 SHBGYYGUWQNBOW-VXGBXAGGSA-N 461.013 4.095 50 10 JIGE CC1(CBr)CC(NC(=O)Cc2cc(Br)cc(Br)c2)C1 2277931695 XJRYTTNSRZBNPU-UHFFFAOYSA-N 454.000 4.434 50 10 JIGE O=C(NCC1(CCl)CC(F)(F)C1)c1ccc(Br)cc1I 2281658633 QGXAMKFFMNXXDN-UHFFFAOYSA-N 478.502 4.438 50 10 JIGE COc1ccc([C@H](Br)c2cscc2S(C)(=O)=O)cc1I 2288502368 GKLBFJXBEZXMNA-ZDUSSCGKSA-N 487.178 4.249 50 10 JIGE O=C(NN=Cc1cc(Br)ccc1O)C(=Cc1cccs1)NC(=O)c1ccccc1 2297312838 MNZXQTFOIATSEY-UHFFFAOYSA-N 470.348 4.137 50 10 JIGE C=CCNC(=O)C(C#N)=C1S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccc(OC)cc1 2314594055 YHFATWKQCZCVTD-HXUWFJFHSA-N 453.951 4.077 50 10 JIGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)C1=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 2314616673 GYAKNZKBXUCLKJ-UHFFFAOYSA-N 483.436 4.376 50 10 JIGE CC(C)(C)OC(=O)N[C@@H]1CN(C[C@]2(CBr)CC2(F)F)CC[C@@H]1C(F)(F)F 2351885183 GBATXUYCEONRFY-MISXGVKJSA-N 451.274 4.184 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@]12CC[S@](=O)(=NC[C@]1(CBr)CC1(F)F)C2 2351886051 SSSVHRNTKQFSTR-KVUUWBKYSA-N 457.381 4.048 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@H]2CC[C@@H](Br)[C@H]2C1 2360166544 QPBGGIDCMDPBFK-DDTOSNHZSA-N 466.011 4.386 50 10 JIGE Cn1cnnc1SCc1ccc(C(=O)N/N=C(\CCC(=O)O)c2ccc(C(C)(C)C)cc2)cc1 8693925 FBXPZBGZKLBITA-SZXQPVLSSA-N 479.606 4.404 50 10 JIGE CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)OCC(=O)/C(C#N)=C1\Sc2ccccc2N1C 9672401 OKFYMTBEKIJPRH-WBVCGYLZSA-N 479.558 4.027 50 10 JIGE CC(C)CCOc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(-c3ccccc3)cc2)c1 14644954 QGXDPDTWRKKLCV-UHFFFAOYSA-N 491.613 4.493 50 10 JIGE COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N3CCN(c4ccccc4OC)CC3)c2C)cc1 24349269 ATOBHNSYJLSMKJ-PTGBLXJZSA-N 470.573 4.367 50 10 JIGE CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)/C(C#N)=C/c2ccc(OCC)cc2)c(OCC)c1 206289342 GWZSZWYDCHIPSN-GYYIQJFNSA-N 460.486 4.467 50 10 JIGE Cc1cc([N+](=O)[O-])nn1Cc1ccc(C(=O)NN=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 254555834 MFQBXFFYWIVJHG-UHFFFAOYSA-N 474.433 4.080 50 10 JIGE COc1ccccc1C=NNC(=O)CCCCCCCCC(=O)NN=Cc1ccccc1OC 254669042 LBLHSZLLOYZVHM-UHFFFAOYSA-N 466.582 4.425 50 10 JIGE O=C(NN=C1C(=O)N(CN(Cc2ccccc2)Cc2ccccc2)c2ccccc21)c1ccncc1 254826354 NNUZHSGAHFNITO-UHFFFAOYSA-N 475.552 4.222 50 10 JIGE COc1cccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)c1 382696416 BEIBZTZBBNMIQO-IEBWSBKVSA-N 451.304 4.482 50 10 JIGE CC[C@@H]1CN(C(=O)c2cc(I)ccc2Br)C[C@@H]1Br 399975294 KTWREPZKHRUVTN-PELKAZGASA-N 486.973 4.299 50 10 JIGE C[C@@H]1C[C@H](CCl)CN(C(=O)c2ccc(I)c(Br)c2)C1 721617191 WERDIIHTQYAULA-NXEZZACHSA-N 456.549 4.391 50 10 JIGE CC(C)(C)c1ccc(C(=O)NNS(=O)(=O)c2cccc(COCC(F)(F)C(F)F)c2)cc1 727795690 UXAAQIWCCZMYDS-UHFFFAOYSA-N 476.492 4.024 50 10 JIGE Cc1cc(C=NNC(=O)CC(=O)NCCc2ccccc2)c(C)n1-c1cccc(Br)c1 1084029975 UZJJAGVQFYIMNJ-UHFFFAOYSA-N 481.394 4.056 50 10 JIGE COc1ccc(N([C@@H](C)C(=O)NN=Cc2cc(C)n(-c3cc(C)cc(C)c3)c2C)S(C)(=O)=O)cc1 1084210821 NNSWEJSSNVQPAZ-NRFANRHFSA-N 496.633 4.024 50 10 JIGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)cc1 1466273017 FIMWBELJTRSTAV-QGZVFWFLSA-N 458.474 4.173 50 10 JIGE CCCCCN1C(=O)C(=NNC(=O)COc2ccc(C)cc2)c2cc(Br)ccc21 1772752383 CCSXGFJOCGDVNH-UHFFFAOYSA-N 458.356 4.194 50 10 JIGE CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@H](n3ccc(O)nc3=O)C[C@H]2O[Si](C(C)C)(C(C)C)O1 1857790276 PEDMJTBGYAMVDO-HBFSDRIKSA-N 470.715 4.193 50 10 JIGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OC)c(O)c2)cc1 1865682820 YBEVFEXLVUSVSO-HSZRJFAPSA-N 466.497 4.480 50 10 JIGE COc1cc(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(F)cc2)c1O 1865696486 NVKQZJRCKVUKHP-IBGZPJMESA-N 485.313 4.074 50 10 JIGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(C)cc2)c1OC 1865701028 KBNDVSWZWVMGOV-GOSISDBHSA-N 470.451 4.494 50 10 JIGE COc1ccc(-c2ccc(C(=O)NNC(=O)CCC(=O)c3ccc(C)cc3C)c(C)n2)cc1OC 1865759281 RPXPNMPQULRTSA-UHFFFAOYSA-N 475.545 4.115 50 10 JIGE Clc1c(I)ccc(I)c1CBr 2060262095 JDCFEWGFRMNROC-UHFFFAOYSA-N 457.274 4.444 50 10 JIGE CCN(C[C@@](C)(CI)OC[C@@H](C)N1CCCCC1)C(=O)OC(C)(C)C 2066643506 ACVWYDIOZZTIHZ-VQIMIIECSA-N 468.420 4.328 50 10 JIGE O=S(=O)(c1ccc(CCl)c(Br)c1)N1CCCN(Cc2ccccc2)CC1 2088578013 XPYOZCDXKOALBH-UHFFFAOYSA-N 457.821 4.085 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CCC(F)(CCl)CC1 2101307317 ZJSRLJLHQONNFN-UHFFFAOYSA-N 460.512 4.237 50 10 JIGE O=C(N[C@@H](CCl)c1cscn1)c1ccc(I)c(Br)c1 2119059971 JOIVWPFUCMLPBP-JTQLQIEISA-N 471.545 4.220 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CC[C@]12C[C@@H](CCl)C2 2125770596 CMXPPSVBLPMMHJ-KMHCFJFGSA-N 454.533 4.287 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@H]2CC[C@@]1(CCl)C2 2142278881 JCUQLURKITZPPX-XPTSAGLGSA-N 454.533 4.287 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CC[C@@H](CCl)C(F)(F)C1 2146379681 SQLCECKOVIBYML-VIFPVBQESA-N 478.502 4.390 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1[C@H]2CC[C@H]1[C@H](CBr)C2 2157228968 CAXQSOFIGJUFPQ-PEXQALLHSA-N 488.039 4.148 50 10 JIGE C[C@H]1CN(C(=O)c2ccc(Br)cc2Br)C[C@@H](CCBr)O1 2179375760 QRHIKHMYRDXXSV-GXSJLCMTSA-N 469.999 4.226 50 10 JIGE CC1(C)CCCN(C(=O)c2cc(I)ccc2F)[C@H]1CBr 2185806321 WLFQXOIVJQBMPV-ZDUSSCGKSA-N 454.121 4.456 50 10 JIGE CCOC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCC2)c1 2296846407 JGFZHOOLIIILOG-UHFFFAOYSA-N 490.585 4.184 50 10 JIGE CCOc1ccc(C=C2C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1OCC 2314619949 HSRIOWAQDQCPAT-UHFFFAOYSA-N 460.530 4.328 50 10 JIGE C[C@H]1CCCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)[C@H]1CCBr 2364209921 XHYADQIGCRNISY-PXNSSMCTSA-N 499.471 4.058 50 10 JIGE O=C(c1ccc(I)cc1)N1CCC[C@H](Br)[C@@H]1C(F)(F)F 2370236759 AUJAZLMXNUMVOU-WDEREUQCSA-N 462.047 4.222 50 10 JIGE Cc1cc(Br)ccc1OCC(=O)NNC(=O)c1ccc(OCc2ccccc2)cc1 14027891 MCAZDHHJMFXSGZ-UHFFFAOYSA-N 469.335 4.177 50 10 JIGE O=C(NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)c1cnc(Cl)c(Cl)c1 15540591 OGJMXTKGJMAQTL-UHFFFAOYSA-N 452.301 4.316 50 10 JIGE COc1ccc([C@@H](NNC(=O)C(O)(c2ccc(OC)cc2)c2ccc(OC)cc2)c2ccccc2)cc1 27520909 DZNYFNYJZFHDMV-NDEPHWFRSA-N 498.579 4.359 50 10 JIGE CCc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)S(=O)(=O)c2ccccc2)cc1 34701061 PZPPUDKBVGEJHZ-PGMHBOJBSA-N 457.511 4.388 50 10 JIGE O=C(NNc1ncnc(Sc2cccc3cccnc23)c1[N+](=O)[O-])c1ccc(Cl)cc1 40657875 RLZXYAFCLXFUEV-UHFFFAOYSA-N 452.883 4.495 50 10 JIGE Cc1c(C(=O)NCc2ccco2)oc2c1/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 40813459 NFWQVVCMBPNNHB-PCLIKHOPSA-N 470.869 4.143 50 10 JIGE CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1 40868340 AIHQZHDJIYJVBJ-SAPNQHFASA-N 468.560 4.278 50 10 JIGE N#C/C(=C\c1ccc(OC(=O)c2ccc(Br)cc2)cc1)C(=O)NCc1ccco1 40925785 BFUWRRWODJYRTL-SFQUDFHCSA-N 451.276 4.485 50 10 JIGE O=C(Cn1c(C(F)(F)F)nc2ccccc21)N/N=C1\C(=O)N(CCc2ccccc2)c2ccccc21 59181310 MZQFNTHYOOFQQJ-SJIPCVTESA-N 491.473 4.165 50 10 JIGE COC(=O)c1ccsc1NC(=O)/C(C#N)=C\c1ccc(COc2ccc([N+](=O)[O-])cc2)o1 98063406 BKBKCMABSUUBES-RAXLEYEMSA-N 453.432 4.161 50 10 JIGE CCOc1cc(/C=N\NC(=O)c2cccn(Cc3ccc(C)cc3)c2=O)cc(Cl)c1OC 169919995 BKLIQKJTGLVSHJ-WGARJPEWSA-N 453.926 4.030 50 10 JIGE Cc1ccccc1CN/C=C(/C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216509210 DDYJLNKULYZTKQ-QYQHSDTDSA-N 450.586 4.426 50 10 JIGE FC(F)c1nc(I)cc(CBr)c1I 238606215 AQNIACFOAKSOQH-UHFFFAOYSA-N 473.824 4.123 50 10 JIGE COC[C@@](C)(CBr)N(C)C(=O)c1cc(Br)ccc1Br 689310828 CIKSFGMLPWJRLJ-CYBMUJFWSA-N 457.988 4.084 50 10 JIGE O=S1(=O)CCC(COc2c(Br)cc(Br)cc2CBr)CC1 692838604 VLWKLGVBEZVRQZ-UHFFFAOYSA-N 491.039 4.310 50 10 JIGE O=C(NCC1(CBr)CCC1)c1cc(I)ccc1Br 717680860 GWSNOKBRWTZVLY-UHFFFAOYSA-N 486.973 4.349 50 10 JIGE C[C@H]1CCN(C(=O)c2ccc(I)c(Br)c2)[C@H]1CBr 721614076 NRAIRZABZIFKRK-UFBFGSQYSA-N 486.973 4.299 50 10 JIGE C[C@@H]1CCN(C(=O)c2ccc(I)c(Br)c2)C[C@@H]1CCl 721621478 PDUSMXBIVLKTOL-KOLCDFICSA-N 456.549 4.391 50 10 JIGE CCOc1ccc(C=NNC(=O)COc2c(C)cc(Br)cc2Br)cc1 1084206222 JVZAENAQAPKZMD-UHFFFAOYSA-N 470.161 4.448 50 10 JIGE C/C(=C\c1ccc(OC(F)(F)F)cc1)C(=O)NNc1c(F)cc(C(=O)NC2CC2)cc1F 1151494731 JOJSDWIYGRQGCI-DHZHZOJOSA-N 455.383 4.302 50 10 JIGE CCOC(=O)c1c(NC(=O)C(=O)Nc2ccc(SC#N)cc2)sc(C(=O)OCC(C)C)c1C 1860748121 NEZQAMZLEXGUKR-UHFFFAOYSA-N 489.575 4.196 50 10 JIGE C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)N/N=C/c4ccc(C(F)(F)F)cc4)c(=O)c23)C1 1860773751 DDOMPHDTEJGGMG-XHWIGMFLSA-N 462.497 4.313 50 10 JIGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)Cc2ccc3c(c2)OCCO3)cc1 1866607691 ZUSXEYIUXADYAF-QFIPXVFZSA-N 491.544 4.079 50 10 JIGE C[C@@]1(NC(=O)c2cc(Br)ccc2I)CCC[C@H]1Br 2062574073 PCVGMAKPWUVZOU-DGCLKSJQSA-N 486.973 4.490 50 10 JIGE O=C(COC(=O)c1c2c(nc3ccccc13)C(=Cc1ccc(O)cc1)CC2)NNC(=O)c1ccccc1 2065323987 YCMYWZXXOREHNX-UHFFFAOYSA-N 493.519 4.045 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CCC[C@@H](CBr)C1 2086149106 JSZZOALCFGVTNJ-VIFPVBQESA-N 486.973 4.301 50 10 JIGE CN1CCC[C@H]([C@@H](Br)c2cc(Br)cc(Br)c2)S1(=O)=O 2089533438 ZCORIYQLGKSWKJ-NEPJUHHUSA-N 476.028 4.072 50 10 JIGE CC(C)[C@H](Br)[C@@H](C)NS(=O)(=O)c1cc(Br)ccc1Br 2103004889 JMUYFPIBSILHES-PELKAZGASA-N 478.044 4.298 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1C[C@H]2C[C@@H](Br)C[C@H]2C1 2128632658 ROEHBEBRWYDWHO-JGPRNRPPSA-N 454.533 4.190 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CC2(CC(CBr)C2)C1 2129957424 AGOQLNQYPWWQTI-UHFFFAOYSA-N 498.984 4.301 50 10 JIGE C[C@@]1(CBr)COCCN(Cc2cc(Br)ccc2Br)C1 2135098169 RMRLWAPRRSIYPL-AWEZNQCLSA-N 456.016 4.445 50 10 JIGE CC[C@H]1CN(C(=O)c2ccc(I)c(Br)c2)C[C@H]1CCl 2140770685 LBYUDKFPGURMNP-GXSJLCMTSA-N 456.549 4.391 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N[C@H]2CC[C@H](CBr)C2)cc1Br 2146224114 LNSFHMVORVISLY-UWVGGRQHSA-N 490.055 4.362 50 10 JIGE ClCc1ccc(Br)c(N2CCOCC23CCN(Cc2ccccc2)CC3)n1 2177050918 RJDIUMALMOGONG-UHFFFAOYSA-N 450.808 4.454 50 10 JIGE C[C@H]1CN(Cc2ccccc2)[C@H](C)CN1S(=O)(=O)c1cc(CBr)ccc1F 2179784894 FPCAURWCZGDKSE-CVEARBPZSA-N 455.393 4.004 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1C[C@H](Br)CC12CCC2 2268353296 SOLQJNXDXIBTMB-SNVBAGLBSA-N 454.533 4.477 50 10 JIGE O=C(c1c(F)cccc1I)N1[C@H]2CC[C@@H]1C[C@@H](CBr)C2 2282787626 SHCMZMFOENNSBT-RTCCRHLQSA-N 452.105 4.208 50 10 JIGE O=C(Cc1ccccc1Br)N[C@@H](CCBr)COCc1ccccc1 2303548563 GGRMKGRLNFYPKT-KRWDZBQOSA-N 455.190 4.478 50 10 JIGE CCOc1cc(C=C2C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1 2314618985 XUSKCHFTHMJOHZ-JOCHJYFZSA-N 472.541 4.436 50 10 JIGE COc1cc(C=C(C#N)C(N)=O)ccc1OC(=O)COc1ccc(Br)cc1C(C)(C)C 2314737443 LHHPLXGGJIMHGF-UHFFFAOYSA-N 487.350 4.132 50 10 JIGE CCCOc1cc(C=NNC(=O)c2cccn(Cc3cccc(Cl)c3)c2=O)ccc1OC 2323652447 PTBJDURBYJKFOC-UHFFFAOYSA-N 453.926 4.111 50 10 JIGE O=C(NC[C@H](CBr)C(F)(F)F)c1ccc(Cl)cc1I 2340067583 DKPGNMXQSGGMEP-LURJTMIESA-N 470.454 4.248 50 10 JIGE ClC[C@@H]1CC[C@H]2CN(Cc3ccc(I)c(Br)c3)C[C@@H]2O1 2377352253 JWGZLBHRWWKPSB-HUBLWGQQSA-N 470.576 4.272 50 10 JIGE Cc1cnc(N(C)Cc2c(Br)c(Br)nn2C)cc1CBr 2380363868 XQGMWLKSIZEJGN-UHFFFAOYSA-N 467.003 4.180 50 10 JIGE COc1cc(/C=N/NC(=O)c2ccc(C)nc2)ccc1OC(=O)c1ccccc1Br 1433868 YAUJCQUXJHMCEQ-BRJLIKDPSA-N 468.307 4.144 50 10 JIGE Cc1cc(OCC(=O)NNC(=O)c2cc(Br)ccc2OC(C)C)ccc1Cl 14667916 JOJPJUWCXAPDIY-UHFFFAOYSA-N 455.736 4.038 50 10 JIGE Cc1ccc(Cc2nc(N3CCCN(C(=O)CCl)CC3)c3c(C)nn(-c4ccccc4)c3n2)cc1 35912857 SQKSBGKUUCEYEX-UHFFFAOYSA-N 489.023 4.301 50 10 JIGE COc1ccc(C(=O)NNC(=O)c2ccc(-n3nc(C(F)(F)F)c4c3-c3ccoc3CC4)cc2)cc1 39852183 BUYASLVZBHZLJX-UHFFFAOYSA-N 496.445 4.333 50 10 JIGE Cc1c(C(=O)NNC(=O)c2ccccc2Cl)oc2c1/C(=N/NC(=S)Nc1ccccc1)CCC2 40825290 PZIBPKSCRMPWQA-OVVQPSECSA-N 495.992 4.343 50 10 JIGE CCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)N3CCOCC3)cc2OC)cc1 41012670 SGLRWQOIHWSBEW-QJRTXPLKSA-N 490.556 4.259 50 10 JIGE CC(C)[C@@H](CBr)NC(=O)c1cc(Br)ccc1I 232726463 SKLLQNTZDUNYEG-LLVKDONJSA-N 474.962 4.203 50 10 JIGE C[C@@H](C[C@@H](C)Br)NC(=O)c1cc(Br)ccc1I 235188008 ZCJXFGCXYGWKRT-SFYZADRCSA-N 474.962 4.346 50 10 JIGE CC(=C/c1ccccc1)/C=C(/NC(=O)c1ccccc1)C(=O)NN=Cc1ccc2c(c1)OCO2 252626154 QXQXBDNAEQKYTE-RJZCNXSMSA-N 453.498 4.283 50 10 JIGE O=C(NN=Cc1ccc(Cl)c([N+](=O)[O-])c1)/C(=C/c1cccs1)NC(=O)c1ccccc1 252636895 XNBJBQOQQBDPFT-CCLOFHELSA-N 454.895 4.231 50 10 JIGE CC(=NNC(=O)c1ccc(Cn2cc(Br)cn2)o1)c1cccc(NC(=O)C(C)(C)C)c1 252638189 XZWMDXUFUGSBCS-UHFFFAOYSA-N 486.370 4.426 50 10 JIGE COc1ccc(OCc2cccc(Br)c2)c(C=NNC(=O)[C@@H](O)c2ccccc2)c1 254346317 FSRKKTRAHFLHFM-QFIPXVFZSA-N 469.335 4.220 50 10 JIGE CCOc1cc(C=NNC(=O)c2cccs2)ccc1OC(=O)c1ccc([N+](=O)[O-])c(C)c1 254571199 TYURWSXVEJFQSB-UHFFFAOYSA-N 453.476 4.347 50 10 JIGE Cn1c(=O)n(C)c2cc([C@H](Br)c3sccc3I)ccc21 312304798 AJMBBDAHUZUBBZ-LBPRGKRZSA-N 463.138 4.027 50 10 JIGE C[C@H]1[C@@H](Br)CCCN1C(=O)c1cc(I)ccc1Br 395215883 KJDKFFXFLXAZFD-KWQFWETISA-N 486.973 4.442 50 10 JIGE O=C(CSCc1ccc(Cl)cc1)NN=Cc1ccc(Sc2nnnn2-c2ccccc2)o1 1082829501 SVGPDEYZPMPZLC-UHFFFAOYSA-N 484.994 4.443 50 10 JIGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc4c(c3)OCO4)cc2)cc1 1084200087 PIDQBWVNHGQNNI-XMMPIXPASA-N 476.529 4.357 50 10 JIGE C[C@@H](SCc1ccccc1)C(=O)NN=C1C(=O)N(CCOc2ccccc2)c2ccccc21 1084258850 KCMMZFQGCXVYKD-LJQANCHMSA-N 459.571 4.254 50 10 JIGE C=CC(=O)N1CCC(C(=O)NNc2ccc(Br)cc2CC)(c2ccccc2)CC1 1637201457 MKJOPRUJYSHBEW-UHFFFAOYSA-N 456.384 4.201 50 10 JIGE CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865695535 DOJIDHKCPJOILC-LJQANCHMSA-N 469.314 4.319 50 10 JIGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@H](c2ccc(OC)c(OC)c2)C(C#N)=C(N)O3)cc1 1865707560 ZNUKRKPUNQWIAR-HSZRJFAPSA-N 481.512 4.178 50 10 JIGE C[C@H]1CC[C@H](Br)CN1c1ncc(I)cc1Br 1988532017 AKZYRBHGZWOUGQ-YUMQZZPRSA-N 459.951 4.201 50 10 JIGE Cc1c(Br)ccc([C@@H](Br)[C@H]2CCS(=O)(=O)C2)c1Br 2083336969 GHJXYHBDIWFNSK-UFBFGSQYSA-N 461.013 4.391 50 10 JIGE CC(C)(C)[C@@H]1C[C@H](CBr)CN(S(=O)(=O)C2CC(OCc3ccccc3)C2)C1 2164997705 DAAOFIRSIBONNT-UVHRUJRTSA-N 458.462 4.443 50 10 JIGE O=S(=O)([C@H]1C[C@H](OCc2ccccc2)C1)N1CCC(CBr)(CC(F)F)CC1 2188337602 NUGAEDGZZJQBHT-QAQDUYKDSA-N 466.388 4.196 50 10 JIGE CC1(C)OCCN(Cc2ccc(I)c(Cl)c2)[C@H]1CBr 2267691119 GJGALAJBBZDPIO-ZDUSSCGKSA-N 458.565 4.319 50 10 JIGE CNC(=O)C(C#N)=C1S[C@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(Br)cc1 2293039262 UYEWCMYZOMRMIS-QGZVFWFLSA-N 476.783 4.275 50 10 JIGE O=C(COc1ccc([N+](=O)[O-])cc1Br)NN=CC(Br)=Cc1ccccc1 2296734200 WQHZCAJZZCXULM-UHFFFAOYSA-N 483.116 4.274 50 10 JIGE CCN(C[C@](C)(CI)OC[C@@H]1C[C@@]12CC2(F)F)C(=O)OC(C)(C)C 2307350029 CRFOCCZYVOUEKS-VBNZEHGJSA-N 459.315 4.499 50 10 JIGE O=C(N[C@H]1C[C@@H](CBr)[C@@H]2C[C@@H]12)c1scc(Br)c1Br 2309230655 PPHNNCPUTCSBEU-LKHWLPBLSA-N 458.013 4.422 50 10 JIGE Cc1ccc(CNC=C(C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 2324602940 AWKISFDYYDVXAH-UHFFFAOYSA-N 450.586 4.426 50 10 JIGE CC[C@@H](C)[C@H](C(=O)Nc1sc(C(C)=CC#N)c(C)c1C(=O)OC)N1C(=O)c2ccccc2C1=O 2331562125 ICDMIJKWHYCSOI-BFUOFWGJSA-N 479.558 4.419 50 10 JIGE Cc1cc2nc(CCl)n(-c3c(I)cnn3C)c2cc1Br 2381855581 BDTKNUBPCSGLNR-UHFFFAOYSA-N 465.520 4.173 50 10 JIGE CC[C@H](C)c1ccccc1O[C@H](C)C(=O)NNC(=O)COc1ccc(C)cc1Br 9872897 AUKFBHZDGZQZHU-JKSUJKDBSA-N 463.372 4.265 50 10 JIGE COc1ccccc1/C(C#N)=C\c1ccc(OC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 31900554 ITPBTRQQAHTGQK-SILNSSARSA-N 462.527 4.229 50 10 JIGE Cc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2c1/C(=N/NC(=O)c1ccccc1F)CCC2 40812526 ZYCJAMYOTFRAFJ-MTDXEUNCSA-N 463.465 4.221 50 10 JIGE C=CCOc1cc(Br)c(/C=N/NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1OC 58894236 CWEDRDNNSGFNIK-RASHHNMQSA-N 491.382 4.385 50 10 JIGE CCOc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)/C=C\c1ccccc1 59500465 WVKOQUFKMMOCLB-UXGXCJOUSA-N 459.458 4.376 50 10 JIGE O=C(COc1ccc(C=NNC(=O)CCSc2ccccc2)cc1)NCCc1ccccc1 254343118 ZGJPQKQBGBBVSZ-UHFFFAOYSA-N 461.587 4.057 50 10 JIGE CC(=NNC(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1)c1ccc(C)c([N+](=O)[O-])c1 254801254 UXSRFNCQDMJKET-QZTJIDSGSA-N 466.538 4.226 50 10 JIGE Nc1nc(CCl)nc(Nc2c(Br)cc(Br)cc2Br)n1 311589091 GCECARCYACDVHP-UHFFFAOYSA-N 472.366 4.224 50 10 JIGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2ccc(O)c(F)c2)C1 383437574 XXVKLGXKYZTEMM-CVEARBPZSA-N 455.267 4.319 50 10 JIGE CN(CCCOCc1ccccc1)S(=O)(=O)c1cc(CCl)sc1Br 383785731 VGEPFQAAEMFIMP-UHFFFAOYSA-N 452.823 4.477 50 10 JIGE CC(C)[C@H](CBr)NC(=O)c1ccc(I)c(Br)c1 721592170 FRAQWFUPVFZAGI-NSHDSACASA-N 474.962 4.203 50 10 JIGE CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)NNC(=O)COc1ccccc1-c1ccccc1)O[C@H](C)C2 730468782 GACHUSUQRWOGEF-OUOWLKGYSA-N 486.568 4.406 50 10 JIGE Cc1cc(/C=C(/C#N)C(=O)NC2CCN(C(=O)CC(C)C)CC2)c(C)n1-c1ccc(F)cc1 748723964 CENNLARGFMWQDO-QNGOZBTKSA-N 450.558 4.294 50 10 JIGE CC(=NNC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 1084054278 RFLVQEABGVDHKH-UHFFFAOYSA-N 494.573 4.454 50 10 JIGE CCOc1ccccc1N(CC(=O)NN=C(C)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 1084517665 DRGPNNCVKFEKRU-UHFFFAOYSA-N 485.993 4.474 50 10 JIGE C=CCOc1cc(Br)c(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc1OCC 1084652408 IDCCDQAVDWZGBG-LJQANCHMSA-N 461.356 4.377 50 10 JIGE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NNc1nc(-c2ccccn2)nc2c1CCC2 1472509504 LXYRBIIAQMRDPH-UHFFFAOYSA-N 455.440 4.368 50 10 JIGE CC(C)CSc1ccccc1C(=O)NNC(=O)[C@H](C)n1cnc2sc3c(c2c1=O)CC[C@H](C)C3 1865851998 MQBQEAZAEPXMJG-HOTGVXAUSA-N 498.674 4.353 50 10 JIGE C[C@@H](Cl)[C@H](NC(=O)c1cc(Br)ccc1I)C(F)(F)F 1882675078 QLTHKQUDBHGKAF-ANLVUFKYSA-N 470.454 4.342 50 10 JIGE C[C@H](CCCl)N(Cc1ccccc1)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 1915074966 YNKWEWLVHCBMFH-GOSISDBHSA-N 477.026 4.158 50 10 JIGE CC(C)[C@H]1[C@@H](Br)CCN1c1ncc(I)cc1Br 2015766078 IWFJHOBRBZLJQB-ONGXEEELSA-N 473.978 4.447 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CCC=C[C@H]1CBr 2086138908 HWQQWGSSLDGICO-JTQLQIEISA-N 484.957 4.219 50 10 JIGE O=C(N[C@H]1CC[C@@H](CBr)C1)c1ccc(Br)cc1I 2086139251 MILKDZHQHYMZRV-SCZZXKLOSA-N 486.973 4.347 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1C[C@@H](Br)[C@H](C2CC2)C1 2090687013 ZFDZJSLCJOEHJF-NWDGAFQWSA-N 454.533 4.190 50 10 JIGE BrC[C@@H]1C[C@H]2OCC[C@@H]2N1Cc1c(Br)cccc1Br 2094089812 AIIINGYCOYPZNP-QCZZGDTMSA-N 454.000 4.338 50 10 JIGE CC(C)(C)OC(=O)NCC[S@@](=O)(=NC[C@H](Br)C(F)(F)F)c1ccccc1 2107398522 ZRSDTTNURLEQIY-NRRJATNASA-N 459.328 4.364 50 10 JIGE CC1(C)CC[C@@H](Br)[C@H](CNC(=O)c2cc(I)sn2)C1 2120031739 KFOMPBLWZSRBAL-DTWKUNHWSA-N 457.175 4.067 50 10 JIGE CN(Cc1ccccc1)[C@@H]1CCCCN(S(=O)(=O)c2ccsc2CBr)C1 2123282750 CYTXKKHPSGMALL-QGZVFWFLSA-N 457.459 4.318 50 10 JIGE O=C(c1csc(Br)c1Br)N1CC[C@@]2(C[C@@H](Br)CO2)C1 2137120144 DHXNUWAWPDJDRB-JMCQJSRRSA-N 474.012 4.042 50 10 JIGE CCc1ccc(S(=O)(=O)N(CCCN(C)C)Cc2ccccc2)cc1CBr 2179860368 QPMRGBVHUYZAPJ-UHFFFAOYSA-N 453.446 4.287 50 10 JIGE C[C@@H](NC(=O)c1cc(Br)ccc1I)c1nnc(CCl)s1 2192615559 MCGCSOHXHULTCU-ZCFIWIBFSA-N 486.560 4.135 50 10 JIGE O=C(N[C@H]1COC2(CCC2)[C@H]1Br)c1ccc(Br)cc1Br 2206483390 DGIXXKLYMFPOHT-RYUDHWBXSA-N 467.983 4.026 50 10 JIGE O=C(NC[C@H](Br)CBr)c1cc(F)c(Br)cc1Cl 2248032981 OUZNKILWASQCIK-RXMQYKEDSA-N 452.343 4.130 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@H]2C[C@H]1C[C@H]2Br 2277920406 PTLWSYFSFLMHMS-JIMOISOXSA-N 451.984 4.138 50 10 JIGE COc1ccc(C=C(C#N)C(=O)OCC(=O)Nc2ccc(Br)cc2Br)cc1 2297356209 KZIUUXLQKNHINQ-UHFFFAOYSA-N 494.139 4.309 50 10 JIGE Cc1sc(Br)cc1S(=O)(=O)N[C@@H](CCCl)COCc1ccccc1 2303761882 JDUWTXFIPONCEJ-AWEZNQCLSA-N 452.823 4.312 50 10 JIGE O=C(C=Cc1ccc([N+](=O)[O-])cc1)NN=C1C(=O)N(Cc2ccccc2Cl)c2ccccc21 2326841492 MYJVIJPTLSRMBT-UHFFFAOYSA-N 460.877 4.329 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1C[C@H]2CC[C@H]1[C@@H](Br)C2 2349958715 DGPQSVRHOKSVPJ-FWDPORAESA-N 454.533 4.333 50 10 JIGE COCCO[C@H]1[C@@H](Oc2cc(Cl)c(C)cc2I)C[C@H]1Br 2361690593 VAUBTAWZNUDPMV-BIGNPOOSSA-N 475.548 4.199 50 10 JIGE C[C@@H](C(=O)N/N=C/c1ccc(Br)cc1)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1407858 GDXPXPDDUANXGF-UNSMVDFFSA-N 473.396 4.057 50 10 JIGE Cc1ccccc1C(=O)NNC(=O)c1ccc(OCCc2ccccc2)c(Br)c1 14669657 YMBTXAUAKCSLQE-UHFFFAOYSA-N 453.336 4.454 50 10 JIGE Cc1ccccc1C(=O)N[C@H](C(=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)C(C)C 27008791 KJGAMDSJLWVIBA-VWLOTQADSA-N 495.583 4.063 50 10 JIGE COc1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1COc1c(F)c(F)c(F)c(F)c1F 27520768 FFDJMQGQUJFOSK-HIUVJMHLSA-N 466.362 4.439 50 10 JIGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2c[nH]nc2-c2cccc([N+](=O)[O-])c2)sc(C)c1C 35516561 IOXGVIPQIAZKQZ-OVCLIPMQSA-N 465.491 4.386 50 10 JIGE O=C(NNc1ncnc(Nc2cc(C(F)(F)F)ccc2Cl)c1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] 40583284 RVCKASMAFYCCMP-UHFFFAOYSA-N 497.777 4.466 50 10 JIGE O=C(NNc1ncnc(Nc2cc(Cl)cc(Cl)c2)c1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 40588062 NIYWBDQUAKZKCX-UHFFFAOYSA-N 464.225 4.100 50 10 JIGE CC(=O)N(c1nc(/C=C(/C#N)C(=O)Nc2ccc3c(c2)OCCO3)cs1)c1ccccc1F 97990750 UFZRZZKDDYGFKR-GDNBJRDFSA-N 464.478 4.284 50 10 JIGE O=S1(=O)CC[C@H](C(CBr)(CBr)Cc2cc(F)ccc2Cl)C1 126225053 QMUXEMCFJMXLGJ-NSHDSACASA-N 462.606 4.233 50 10 JIGE O=C(N[C@@H]1CCC[C@H]1CBr)c1cc(I)ccc1Br 231571905 JMMGWBZDWCMVIG-QPUJVOFHSA-N 486.973 4.347 50 10 JIGE CC[C@@H](Br)CCNC(=O)c1cc(I)ccc1Br 233853486 OBSLGLGXUFNXOR-MRVPVSSYSA-N 474.962 4.347 50 10 JIGE Cc1ccc(-n2c(SCC(=O)NN=Cc3ccco3)nc3sc4c(c3c2=O)CCCC4)cc1 254306268 CNCCLNXXMWVZSA-UHFFFAOYSA-N 478.599 4.470 50 10 JIGE O=C(NN=Cc1ccco1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 254734654 SWSQYHPYSUYAGZ-UHFFFAOYSA-N 456.158 4.469 50 10 JIGE CC[C@@H](Br)[C@@H](C)NC(=O)c1cc(I)ccc1Br 386803055 QKCONLPODMRTLW-GMSGAONNSA-N 474.962 4.346 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N(C[C@H](C)Br)C2CC2)cc1Br 691364314 FOHDMRLSMZRIGL-VIFPVBQESA-N 490.055 4.457 50 10 JIGE Cc1occc1C(=O)NC1CCN(C(=O)/C(C#N)=C/c2cc(C)n(CCC(C)C)c2C)CC1 727332211 CPDGXSLYINWGGL-PXLXIMEGSA-N 450.583 4.380 50 10 JIGE CC(=NNC(=O)CNc1ccc(I)cc1)c1ccc(Br)cc1 1084065306 BLBHXWGAQFJYPC-UHFFFAOYSA-N 472.124 4.006 50 10 JIGE CC1(C)[C@H]2CC[C@]1(C)C(=NNC(=O)CSc1nnc(-c3ccncc3)n1CC(F)(F)F)C2 1087587169 AVQAJSALGQWHSX-VBKZILBWSA-N 466.533 4.313 50 10 JIGE C=CCc1cc(C(=O)NNc2cc(C(F)(F)F)nc(-c3ccccn3)n2)cc(OC)c1OC 1641288992 DDBGDSMWSMCOQP-UHFFFAOYSA-N 459.428 4.060 50 10 JIGE O=C([C@H](Br)Cc1ccccc1Br)N1CCN(Cc2ccccc2)CC1 1858181686 YZMYHFKLRIGOTC-LJQANCHMSA-N 466.217 4.100 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1C[C@H]2CC[C@]2(CBr)C1 1903982872 HFHSCYSXEDEHMB-YGRLFVJLSA-N 454.533 4.192 50 10 JIGE O=C(c1cccc(Br)c1Br)N1C[C@@H](Br)[C@H](Br)C1 1910008528 JEJSXFDQQYYEBC-RKDXNWHRSA-N 490.815 4.194 50 10 JIGE C[C@@]1(CBr)CCN1C(=O)c1cc(Br)ccc1I 1947976348 JYTSQOPPJNFKOS-LBPRGKRZSA-N 472.946 4.053 50 10 JIGE CCOC(=O)c1cc(I)cc(OC(F)(F)F)c1CBr 2055275287 IDTQLSWQOCDUKJ-UHFFFAOYSA-N 452.992 4.261 50 10 JIGE O=C(NCCC(F)(F)CCl)c1ccc(I)c(Br)c1 2064899138 CFLSMNNLSUKQLI-UHFFFAOYSA-N 452.464 4.048 50 10 JIGE O=C(NC[C@@H](CCl)C1CCC1)c1ccc(I)c(Br)c1 2089966705 VWXHFTMFCUUWJZ-LLVKDONJSA-N 456.549 4.439 50 10 JIGE C[C@]12CN(C(=O)c3ccc(I)c(Br)c3)C[C@@]1(CBr)C2 2109188010 UDHGGCAPTNXUMJ-KBPBESRZSA-N 498.984 4.301 50 10 JIGE O=C(c1c(Br)cccc1Br)N1C[C@@H]2C[C@@H](CBr)[C@@H]2C1 2117689953 PRXBARRQIUZWAM-GUBZILKMSA-N 451.984 4.315 50 10 JIGE CN([C@H]1CN(Cc2ccccc2)C(C)(C)C1)S(=O)(=O)c1ccc(CBr)s1 2123241630 LYZPVYCGGIUZEX-MRXNPFEDSA-N 457.459 4.317 50 10 JIGE Clc1ccc(I)c(CN2C[C@@H](CBr)OCC23CC3)c1 2127539283 SGLVEUHCEVOZNQ-GFCCVEGCSA-N 456.549 4.073 50 10 JIGE C[C@@H]1CCC[C@](CBr)(NC(=O)Cc2ccccc2I)C1 2143868856 SOQJJQLCXPLDNM-WBMJQRKESA-N 450.158 4.294 50 10 JIGE CN([C@@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(Br)c(CCl)c1 2144829518 MESQHFBXVGBVIN-GOSISDBHSA-N 471.848 4.473 50 10 JIGE CCN1CCC[C@@H]([C@@H](Br)c2cccc(Br)c2Br)S1(=O)=O 2148762636 XRCQCOWDEGOCCP-AAEUAGOBSA-N 490.055 4.462 50 10 JIGE CN(C[C@@H]1C[C@H]1Br)C(=O)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229115973 ZZPLLDTYAOMQEG-IMJJTQAJSA-N 490.236 4.127 50 10 JIGE C#CCOc1cc(Br)c(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1OC 2294171968 NMXJNBUCQLXYSH-UHFFFAOYSA-N 478.346 4.217 50 10 JIGE COc1ccc(C=NNC(=O)c2cccn(Cc3ccccc3Cl)c2=O)cc1OC(C)C 2318418164 RPHWRJBXGCMXMW-UHFFFAOYSA-N 453.926 4.110 50 10 JIGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1cc(F)c(Br)cc1O 2320559757 XWQCVURDFMKDKH-ZDUSSCGKSA-N 475.152 4.394 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OC[C@H]2C[C@H]3[C@@H](C2)C3(F)F)C1 2320844843 JXQVRHOFHVVGDB-ZJOBFFGXSA-N 471.326 4.499 50 10 JIGE COc1ccc(Cc2nc3ccc(C(=O)NN=Cc4ccc(N(C)C)cc4)cc3[nH]2)cc1OC 2323720619 ONCFSHUZHYUKKK-UHFFFAOYSA-N 457.534 4.001 50 10 JIGE N#CC(=CNc1ccc(C(=O)O)cc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324598946 MEIUQNVNSDSCRB-UHFFFAOYSA-N 466.541 4.138 50 10 JIGE O=C(Cn1c(O)nc2ccccc2c1=O)NN=Cc1ccccc1OCc1ccc(Cl)c(Cl)c1 2328808980 NZAGPMVRGOVQEL-UHFFFAOYSA-N 497.338 4.138 50 10 JIGE O=C(N[C@H]1C[C@@H](CBr)[C@@H]2C[C@H]12)c1cc(Cl)ccc1I 2329877608 GKEMVELRTCACGJ-PYSAPBNWSA-N 454.533 4.094 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CCC2CC1(CBr)C2 2336445533 VUTWCMMNLJVONY-UHFFFAOYSA-N 498.984 4.443 50 10 JIGE CCCCCOc1ccc(/C=N\NC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1OC 31829142 PDJUOZLJXHAGBI-RYPKJOHWSA-N 496.633 4.311 50 10 JIGE COc1ccc(NC(=O)COc2ccc(/C=C(\C#N)c3nc(O)c4ccccc4n3)cc2)cc1 34988284 BZKDNMHVNFPCCF-NBVRZTHBSA-N 452.470 4.426 50 10 JIGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)cc1 38685691 OTXPJGFMBUROQF-RUZDIDTESA-N 487.468 4.196 50 10 JIGE O=C(NNc1ncnc(NNC(=O)c2cccc3ccccc23)c1[N+](=O)[O-])c1cccc2ccccc12 40658709 XTJSJKPHBNHAIA-UHFFFAOYSA-N 493.483 4.205 50 10 JIGE CCCc1nn2c(=O)cc(COc3ccc(/C=C(/C#N)C(=O)Nc4ccccc4)cc3)nc2s1 96484353 XGJXUUMZSHXDAG-AQTBWJFISA-N 471.542 4.228 50 10 JIGE CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C[C@@H]1O[Si](C)(C)C(C)(C)C 195784149 DKEAALKCPSPQCU-XYJFISCASA-N 456.732 4.236 50 10 JIGE FC(F)c1cnc(I)c(CBr)c1I 238553115 FNDPBLFXFPBVIH-UHFFFAOYSA-N 473.824 4.123 50 10 JIGE NS(=O)(=O)c1cc(C(=O)NN=Cc2cccc(Oc3ccc(Cl)cc3)c2)ccc1Cl 254306583 GRPUNXHURFYFFJ-UHFFFAOYSA-N 464.330 4.197 50 10 JIGE COc1cccc(C=NNC(=O)CNc2c(Br)cc(C)cc2Br)c1 254392029 KXZREMBFJDEOOO-UHFFFAOYSA-N 455.150 4.091 50 10 JIGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccc(C)cc3)cc2OCC)cc1 254401274 QZUHGIDTLGYLKT-UHFFFAOYSA-N 489.528 4.100 50 10 JIGE CCC(=NNC(=O)CCCCC(=O)NN=C(CC)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 254508666 UQFKDFMHSCQYGQ-UHFFFAOYSA-N 496.524 4.224 50 10 JIGE COc1ccc(C=NNC(=O)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1OCc1ccccc1 254622591 AWNROXNDAJJBDQ-UHFFFAOYSA-N 488.569 4.175 50 10 JIGE CCOc1ccccc1OCC(=O)NN=Cc1ccc(OC(=O)c2ccccc2)c(OCC)c1 254871078 NSDNTEDQTMNJDJ-UHFFFAOYSA-N 462.502 4.232 50 10 JIGE COc1ccc2ccccc2c1C=NNC(=O)CCC(=O)NN=Cc1c(OC)ccc2ccccc12 257354024 VFJBATCIIWSBDI-UHFFFAOYSA-N 482.540 4.391 50 10 JIGE CC[C@@H]1[C@@H](CBr)CCN1S(=O)(=O)c1cc(Cl)c(Br)s1 385897502 ODRNBXFTBAIUHZ-VXNVDRBHSA-N 451.633 4.348 50 10 JIGE CN(CCCNC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1)c1ccccc1F 918675325 AEJMBAGIYWDNRY-HEHNFIMWSA-N 456.525 4.153 50 10 JIGE CN(C)c1ccc(C(=O)NN=C2C(=O)N(Cc3ccc(F)cc3)c3ccc(Br)cc32)cc1 1084332339 JMKGGSGNXCIIAZ-UHFFFAOYSA-N 495.352 4.335 50 10 JIGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccc(C(C)C)cc2)cc1 1084361816 BQHNXITWKYAXCF-UHFFFAOYSA-N 493.629 4.202 50 10 JIGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 1673232506 JYJITCODGBSXHE-KOSHJBKYSA-N 456.502 4.165 50 10 JIGE O=C(CCl)NCc1cccc(S(=O)(=O)Nc2cc(-c3cccs3)nn2-c2ccccc2)c1 1887503796 GIANSRXSEMOUMP-UHFFFAOYSA-N 487.006 4.257 50 10 JIGE O=C(N[C@H](CCCl)C(F)(F)F)c1cc(I)ccc1Br 1918575931 NDUSQCNIRUHQMD-SECBINFHSA-N 470.454 4.343 50 10 JIGE CC(C)(C)OC(=O)N1CCN(CC2(CBr)CCC2)CCN1C(=O)OC(C)(C)C 1955955248 CLEFYBUKAHALTM-UHFFFAOYSA-N 462.429 4.256 50 10 JIGE BrCC[C@@H]1CCCN(c2ncc(I)cc2Br)C1 2015756666 JDCSVHCYVMZKSY-VIFPVBQESA-N 473.978 4.450 50 10 JIGE CCN(C[C@](C)(CI)O[C@H]1COC2(CCC2)C1)C(=O)OC(C)(C)C 2020646715 PYMLMBZWXZGLJD-PBHICJAKSA-N 453.361 4.165 50 10 JIGE CC[C@H](Br)CN(C)S(=O)(=O)c1cc(Br)ccc1Br 2044546419 QRZGMEWLKPAELS-QMMMGPOBSA-N 464.017 4.006 50 10 JIGE O=C(N[C@@H]1C[C@H](CBr)[C@@H]2C[C@@H]12)c1csc(Br)c1Br 2048004296 DONXIIGREFXKJP-JVZYCSMKSA-N 458.013 4.422 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1cc(Br)ccc1F 2061267714 IDKUPBGWRZKGHX-UHFFFAOYSA-N 453.399 4.224 50 10 JIGE O=C(NC[C@@H]1CC[C@@H](Br)C1)c1ccc(Br)cc1I 2086147906 UFVPZGYHUHNXPT-RKDXNWHRSA-N 486.973 4.347 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1CCC[C@@](F)(CBr)C1 2101310785 OUZCPUASOIHTSK-CYBMUJFWSA-N 460.512 4.284 50 10 JIGE COCCOCCN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)c(CCl)c1 2152213893 WTNLVQGCJYODHM-UHFFFAOYSA-N 476.820 4.042 50 10 JIGE O=C(NC1(CBr)CC2(CCC2)C1)c1cccc(F)c1I 2163545431 MYQISILZIJLGEF-UHFFFAOYSA-N 452.105 4.258 50 10 JIGE CN(C[C@H](Br)C1CCCC1)C(=O)c1ccc(I)c(O)c1 2167646789 NHULAEOUJSSAFC-LBPRGKRZSA-N 452.130 4.023 50 10 JIGE O=S(=O)(c1ccc(CBr)c(Cl)c1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 2188885004 LVMGDMHYGBYPON-FXAWDEMLSA-N 469.832 4.130 50 10 JIGE O=C(c1ccc(Br)cc1I)N1[C@H]2CC[C@H]1[C@H](F)[C@@H](Cl)C2 2207264524 GKAOWMSBONFVRO-SKZLGDCLSA-N 472.523 4.376 50 10 JIGE ClCCc1nc2cncc(Br)c2n1C[C@H]1CC1(Br)Br 2224800135 DRHKDYPREZEPNU-SSDOTTSWSA-N 472.406 4.481 50 10 JIGE Cn1nc(Br)c(CC(CBr)(CBr)Cc2ccccc2)n1 2235295433 XYIJUBLOIUVCAM-UHFFFAOYSA-N 466.015 4.139 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N1CC[C@H](CCBr)C1 2277933214 QBEWLVJSPZBTRJ-JTQLQIEISA-N 454.000 4.388 50 10 JIGE CCOc1ccc(NC(=O)C(C#N)=Cc2c(N3CCC[C@@H](C)C3)nc3c(C)cccn3c2=O)cc1 2297470122 FBHKEJNUYJVSMN-GOSISDBHSA-N 471.561 4.184 50 10 JIGE CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NN=CC1=Cc2ccccc2OC1 2297639720 AVMLVYBCAYBALB-QFIPXVFZSA-N 460.534 4.182 50 10 JIGE CCCOc1ccc(C=C(C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)cc1 2314736637 QTYPGECFTNJGQG-UHFFFAOYSA-N 491.573 4.229 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1[C@H]2CC[C@H](C2)[C@H]1CBr 2330982981 HNZSUFLROYAJKY-DFAYQTQMSA-N 454.533 4.333 50 10 JIGE ClC[C@@H]1C[C@@H]2OCC[C@H]2N1Cc1ccc(I)c(Br)c1 2349837879 XRSMHFLCEVWUDO-GDLCADMTSA-N 456.549 4.024 50 10 JIGE COc1ccccc1NC(=O)/C(C#N)=C\c1c(Oc2ccccc2F)nc2c(C)cccn2c1=O 39858737 KYZJCKHCIWKXKZ-VKAVYKQESA-N 470.460 4.489 50 10 JIGE CCOc1ccc(CCC(=O)Oc2ccc(/C=C(\C#N)C(=O)NC(C)C)cc2OC)cc1OC 41000147 VXOLVUJTVUHUFI-DEDYPNTBSA-N 466.534 4.072 50 10 JIGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2ccc(OC)c(OC)c2)cc1 48572965 WXPMMOMJGJJICP-JVWAILMASA-N 456.502 4.329 50 10 JIGE BrCCc1cn(-c2c(Br)cc(Br)cc2Br)nn1 110163027 OYAVTRIZWSHFIZ-UHFFFAOYSA-N 488.803 4.492 50 10 JIGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)C(=O)NCc1ccco1 210034788 YAPVFDANURGXMM-UYRXBGFRSA-N 452.470 4.127 50 10 JIGE CC[C@H](NC(=O)/C(C#N)=C\Nc1ccc(N2CCN(C)CC2)cc1)c1ccc2c(c1)CCCC2 217191615 LVOUCLQJSGUKAE-COOAHKAKSA-N 457.622 4.404 50 10 JIGE CCC(CBr)(CBr)NC(=O)c1cc(OC)ccc1Br 232855240 OOTYIESJIMLHKG-UHFFFAOYSA-N 457.988 4.126 50 10 JIGE CN([C@@H]1CCCC[C@H]1Br)S(=O)(=O)c1cc(Cl)c(Br)s1 252936339 XSDKJANRAFBDTQ-VXNVDRBHSA-N 451.633 4.491 50 10 JIGE N#Cc1ccc(C=NNC(=O)c2cccc(S(=O)(=O)Nc3cc(Cl)ccc3Cl)c2)cc1 254318372 QMNWZUWYCSRQDQ-UHFFFAOYSA-N 473.341 4.430 50 10 JIGE CC(=NNC(=O)c1cccc(OC(F)(F)C(F)F)c1)c1cccc(NC(=O)c2ccnn2C)c1 254381495 RPDLBCDSZNRDGX-UHFFFAOYSA-N 477.418 4.063 50 10 JIGE FC(F)(F)Oc1cc(CBr)c(Br)c(I)n1 396178932 KLGPSMUUOIHBBS-UHFFFAOYSA-N 460.813 4.242 50 10 JIGE C[C@@H]1C[C@@H](CBr)CN(C(=O)c2ccc(I)c(Cl)c2)C1 398798606 MACRJMIHCYGDBI-ZJUUUORDSA-N 456.549 4.438 50 10 JIGE COc1ccc(C(=O)NNC(=O)[C@H](Oc2ccc(F)cc2Cl)c2ccccc2)c(OC)c1 730495630 RZQWADCURKSVLB-OAQYLSRUSA-N 458.873 4.078 50 10 JIGE O=S1(=O)CCC[C@@H]1CC(CBr)(CBr)c1cccc(Br)c1 822171842 ORWGMYDBFPUNRB-CYBMUJFWSA-N 489.067 4.444 50 10 JIGE CNC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)/C(C#N)=C/c2cc(C)n(-c3ccccc3F)c2C)c1 853245018 HKQYJADKSSWCNX-LANLRWRYSA-N 488.519 4.070 50 10 JIGE CCOc1ccc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1I 1084025025 GOKHYHGJQSSQFW-GZTJUZNOSA-N 485.325 4.437 50 10 JIGE Cc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)c(C)n1-c1cc(C(=O)O)ccc1Cl 1084175711 ILTOAOFTVDEARP-JOCHJYFZSA-N 453.926 4.410 50 10 JIGE COc1cc(C=NNC(=O)c2ccc(OCc3cccc4ccccc34)cc2)ccc1OCC(N)=O 1084597767 AWNLZCZQORYBMJ-UHFFFAOYSA-N 483.524 4.055 50 10 JIGE C#CCSCCNC(=O)NNC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1 1679474965 QJKZWIRWMDMNJJ-UHFFFAOYSA-N 459.571 4.243 50 10 JIGE COc1ccccc1-c1nc(CC(=O)NC(C)(C)C(=O)Nc2ccc(SC#N)cc2)c(C)o1 1866671718 QNVXWIFNARIXAM-UHFFFAOYSA-N 464.547 4.308 50 10 JIGE O=C(Cl)c1ccc(OC(F)(F)F)c(I)c1I 2060025262 OUGQJHKBWJAJBK-UHFFFAOYSA-N 476.357 4.173 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCNc1ncc([N+](=O)[O-])cc1Br 2061268476 UMZQDMXJUMQUFJ-UHFFFAOYSA-N 453.384 4.070 50 10 JIGE CN(CC1CC(Br)C1)[C@H](CN)c1scc(Br)c1Br 2076250865 QTVWSPHHWYJVSQ-SFVIPPHHSA-N 461.061 4.378 50 10 JIGE CN1CCC[C@@H]([C@H](Br)c2cc(Br)ccc2Br)S1(=O)=O 2089531801 OEMMUEKJOJXAHU-NWDGAFQWSA-N 476.028 4.072 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1[C@H]2CC[C@@H]1C[C@H](Br)C2 2098698617 JRLOCVYGIGMSFO-GUDFOSOFSA-N 454.533 4.475 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CC[C@H](Cl)[C@@H]1C1CC1 2130607797 PIOPKXDHWYOVIT-AAEUAGOBSA-N 454.533 4.286 50 10 JIGE O=C(c1ccc(Br)cc1I)N1[C@H]2CC[C@@H](C2)[C@H]1CBr 2142278700 GWESXMOXPIUTRW-GMOODISLSA-N 498.984 4.442 50 10 JIGE Cc1ccc(S(=O)(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)cc1CBr 2179784889 FOMJTRPPAJWOTQ-FQEVSTJZSA-N 451.430 4.175 50 10 JIGE C[C@H]1[C@H](C)N(S(=O)(=O)c2ccccc2CBr)C[C@@H](C)N1Cc1ccccc1 2179824314 TTZWGFWODOTKDO-SQNIBIBYSA-N 451.430 4.254 50 10 JIGE CC(C)(C)OC(=O)N[C@H]1CN(CCCCCI)CC[C@@H]1C(F)(F)F 2214697752 ROLANAFFNANHPQ-STQMWFEESA-N 464.310 4.369 50 10 JIGE CCn1ncc(-n2c(CCl)nc3cccc(Br)c32)c1I 2280058819 WRELCRXOEMMTMC-UHFFFAOYSA-N 465.520 4.348 50 10 JIGE COc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(C)c(C)c1 2314737511 QIXCMHPMKQDXCI-UHFFFAOYSA-N 460.486 4.113 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1[C@H]2CC[C@H](C2)[C@H]1CBr 2330984727 RHPPKBXDNDRDLY-DFAYQTQMSA-N 454.533 4.333 50 10 JIGE CC1(C)CN(Cc2cc(I)ccc2Cl)C[C@H](CBr)O1 2352418279 SUNHGLLNUYHOIB-LBPRGKRZSA-N 458.565 4.319 50 10 JIGE ClC[C@H](Cc1ncc(I)cn1)Cc1ccccc1Br 2353309218 JJMYPUHKQOYHFD-JTQLQIEISA-N 451.533 4.484 50 10 JIGE CCC(=O)Nc1ccc(C(=O)NNC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1 14642141 YNYCBXFNRBGOOT-UHFFFAOYSA-N 496.361 4.305 50 10 JIGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNC(=O)c1cccc3ccccc13)c1nc3cc([N+](=O)[O-])ccc3nc12 33770076 KPOMTCYLASBISU-IZLXSDGUSA-N 495.539 4.482 50 10 JIGE N#C/C(=C/c1c(Oc2ccc(Cl)cc2)nc2ccccn2c1=O)C(=O)NCCc1ccccc1 33916207 BWHUCKVLYIJFAX-MNDPQUGUSA-N 470.916 4.406 50 10 JIGE CC(C)COC(=O)c1ccc(Nc2ncnc(NNC(=O)c3ccccc3Br)c2N)cc1 40782983 GFFPEDPQNJEBRL-UHFFFAOYSA-N 499.369 4.135 50 10 JIGE COc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4cc(OC)ccc4OC)c(C)c32)cc1 40813793 WEBVYZVXYZPPRF-TURZUDJPSA-N 477.517 4.337 50 10 JIGE C=CCC1=CC=C/C(=C\NNC(=O)CSc2nnc(-c3ccc(OC)cc3)n2-c2ccccc2)C1=O 137111965 CCZHOEAPONGHBK-HEHNFIMWSA-N 499.596 4.181 50 10 JIGE Cn1cc([N+](=O)[O-])c(C(=O)NN=Cc2cn(Cc3ccc(Cl)cc3Cl)nc2-c2ccccc2)n1 252615677 JUTPBFRKWGGURN-UHFFFAOYSA-N 498.330 4.311 50 10 JIGE O=C(Oc1ccc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)cc1)c1cccs1 254405396 VCZYXVYIOIFFSG-UHFFFAOYSA-N 456.523 4.354 50 10 JIGE CC(CC(=O)Nc1ccc(OCc2ccccc2)cc1)=NNC(=O)C(=O)Nc1cc(C)ccc1C 254766214 JQZUJVYPWJBEFL-UHFFFAOYSA-N 472.545 4.342 50 10 JIGE O=C(Cn1c2ccccc2c(=O)c2ccccc21)NN=Cc1ccc(-c2ccc(C(=O)O)cc2)o1 254856215 SZDQUTRNZHBMFY-UHFFFAOYSA-N 465.465 4.263 50 10 JIGE O=S1(=O)CC[C@@H](C(CBr)(CBr)Cc2csc(Cl)c2)C1 378991713 KCWJOPMAFKOKGZ-SNVBAGLBSA-N 450.645 4.155 50 10 JIGE Cc1cc(/C=C(\C#N)C(=O)Nc2cnn(CCN(C)C)c2)c(C)n1-c1cccc(C(F)(F)F)c1 726944155 WMOPYAODLWDLJV-YBFXNURJSA-N 470.499 4.417 50 10 JIGE CC(=O)c1cccc(CNC(=O)NNC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)c1 1565008365 MMECETPLVHMDQE-UHFFFAOYSA-N 451.910 4.266 50 10 JIGE COc1ccc(-c2cc(=NNC(=O)CCN)oc3cc4c(cc23)CCC2(CCCCC2)O4)cc1 1565518359 DYVMMMJVCDURDV-UHFFFAOYSA-N 461.562 4.417 50 10 JIGE O=C(CN1CCCC1)NN=Cc1nc(-c2ccccc2Cl)c2cc(Br)ccc2n1 1772742855 YWJWFSLNFUNHRJ-UHFFFAOYSA-N 472.774 4.259 50 10 JIGE Cc1c(C(=O)NNC(=O)c2ccccc2Cl)oc2c1C(=NNc1ccc([N+](=O)[O-])cc1)CCC2 1772748791 XAVGQOJUOBXWNW-UHFFFAOYSA-N 481.896 4.377 50 10 JIGE Cc1c(C(=O)NNc2ccccc2)oc2c1C(=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CCC2 1772748890 YGCCEUJENCBNHG-UHFFFAOYSA-N 464.438 4.314 50 10 JIGE COc1ccc(Cl)cc1NC(=O)COc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1F 1858683467 QKRAEPIZBCUSCE-UHFFFAOYSA-N 490.831 4.419 50 10 JIGE CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1cc(Br)c(O)c(OC)c1)C(C#N)=C(N)O2 1865690001 YTYHOYHYDIJBIX-LJQANCHMSA-N 499.340 4.328 50 10 JIGE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@@H]2c1cc(Br)ccc1O 1865695443 CPPGFSOGYAVGHW-ZDUSSCGKSA-N 457.250 4.244 50 10 JIGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@@H](c2ccccn2)C(C#N)=C(N)O3)cc1 1865699738 BEBSUJISTPJVBP-JOCHJYFZSA-N 453.477 4.359 50 10 JIGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)ccc1O 1865705900 IXUAEKJYVRLORT-KRWDZBQOSA-N 460.387 4.022 50 10 JIGE Cc1nc(-c2ccc(F)c(F)c2)ccc1C(=O)NNC(=O)CCc1ccccc1Br 1865757282 VOZOUOWEWWHULB-UHFFFAOYSA-N 474.305 4.492 50 10 JIGE Cn1nc(C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)cc1-c1ccco1 1867239087 BYIZWDGFMZVGCG-FQEVSTJZSA-N 489.532 4.372 50 10 JIGE CC1(C)CN(S(=O)(=O)c2cc(Cl)c(Br)s2)C[C@@H]1CBr 1914031286 BSHSKWWYHMDACR-ZETCQYMHSA-N 451.633 4.206 50 10 JIGE CN(C[C@@H](Br)COCc1ccccc1)S(=O)(=O)c1cccc(Br)c1 1916360180 GVICOIFAVVGVQD-MRXNPFEDSA-N 477.218 4.050 50 10 JIGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)Cc1ccc(Br)cc1 1916388520 SGWXWQQEZDAELY-GOSISDBHSA-N 455.190 4.430 50 10 JIGE O=C(Nc1cc(Br)ccc1I)[C@H]1C[C@H](Br)C1 1991422283 VBSRSWHPDVKJKA-FKQCQYRASA-N 458.919 4.166 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCNc1cc(F)c(I)cc1N 2010828931 NYMKABJWGXASGW-UHFFFAOYSA-N 487.404 4.331 50 10 JIGE C[C@@H]1SC(=C(C#N)C(=O)NCCc2ccccc2)N(c2ccc(Br)cc2)C1=O 2040490938 SAYAAWQBUMSQDC-AWEZNQCLSA-N 456.365 4.011 50 10 JIGE COCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(C)cc2)C(C)=C(C#N)C1=O 2040991903 KTKRRJKIOQEQIA-UHFFFAOYSA-N 452.514 4.086 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OCC23CCC(CC2)OC3)C1 2083308563 XWBKMSVKTWMIPT-PPSBMQLTSA-N 465.372 4.167 50 10 JIGE C[C@@H]1C[C@H](Br)CCN(S(=O)(=O)c2cc(Cl)c(Br)s2)C1 2103289170 WRYCHMVMMUSLLA-HTQZYQBOSA-N 451.633 4.348 50 10 JIGE CC(C)(C)OC(=O)NCC[S@](=O)(=NC[C@@H](Br)C(F)(F)F)c1ccccc1 2107398525 ZRSDTTNURLEQIY-ZBSNKRKSSA-N 459.328 4.364 50 10 JIGE O=C(c1csc(I)c1)N1C[C@]2(F)CCC[C@@]2(CBr)C1 2120131524 UCEAMQFILFCGFK-CHWSQXEVSA-N 458.134 4.082 50 10 JIGE O=S(=O)(c1cc(CBr)cs1)N1CCC[C@@H]1[C@@H]1CCN(Cc2ccccc2)C1 2179818700 CMUMNSRLFBXDOY-RTBURBONSA-N 469.470 4.318 50 10 JIGE Clc1cc(CN2CCO[C@@H]3C[C@H](CBr)C[C@H]32)ccc1I 2208030279 RDEISUQJAKKKGB-KCPJHIHWSA-N 470.576 4.319 50 10 JIGE Fc1cc(F)c(CCl)c(-n2cnc(I)c2I)c1 2214785200 DGBQQNOCQWYYQU-UHFFFAOYSA-N 480.421 4.099 50 10 JIGE CC(C)(C)OC(=O)N1CCC(CI)(OCC23CC(C(F)F)(CO2)C3)CC1 2266283777 ANZQCERBCBJBBT-UHFFFAOYSA-N 487.325 4.022 50 10 JIGE COc1ccc(C=C(C#N)C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)cc1OC 2296833187 KKZLXPDVPANBEV-UHFFFAOYSA-N 460.559 4.264 50 10 JIGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)C1=CNc1ccc([N+](=O)[O-])cc1Br 2314579490 VFRRNOMPXHKKMY-UHFFFAOYSA-N 459.300 4.195 50 10 JIGE COc1ncc(Br)c(C)c1CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1Br 2319603514 QUQSLMYBFADJBI-UONOGXRCSA-N 480.197 4.061 50 10 JIGE O=C(N[C@@H]1C[C@@H]2C[C@H]1C[C@@H]2Cl)c1cc(I)ccc1Br 2330914681 KVAKKPHNUJHYBG-QQXRRDQMSA-N 454.533 4.189 50 10 JIGE Cc1c(CCl)c(OCc2ccc(I)c(Br)c2)nn1C 2350077838 YUQMMMJHDFLRLW-UHFFFAOYSA-N 455.521 4.413 50 10 JIGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)Cc1ccc(OC)cc1 14648283 UMHJGTYZQIJQLG-UHFFFAOYSA-N 463.372 4.421 50 10 JIGE N#CC1=C(N)Oc2cc(OC(=O)[C@H]3COc4ccccc4O3)ccc2[C@@H]1c1ccccc1Cl 38687605 FWFPIOZVCWSUJF-PKTZIBPZSA-N 460.873 4.304 50 10 JIGE CCC[C@H](Br)CNS(=O)(=O)c1cc(Br)ccc1Br 134638085 XKKLMYVXPZSGRK-VIFPVBQESA-N 464.017 4.054 50 10 JIGE CCOc1c(Cl)cc(/C=N\NC(=O)c2cccn(Cc3ccc(C)cc3)c2=O)cc1OC 169920047 SLFBLISTAGWPKN-WGARJPEWSA-N 453.926 4.030 50 10 JIGE CC[C@@H](NC(=O)/C(C#N)=C\Nc1cc(C(=O)OC)ccc1C(=O)OC)c1ccc2c(c1)CCCC2 217190845 NQJPURPUDLFRJU-LHBRDVBXSA-N 475.545 4.225 50 10 JIGE O=C(Oc1ccc(C=NNC(=O)c2ccnn2Cc2cccc(Br)c2)cc1)c1ccco1 254486077 UJSLZOBDKDWHEW-UHFFFAOYSA-N 493.317 4.270 50 10 JIGE Cc1ccccc1COc1ccc(Br)cc1C=NNC(=O)CSc1nnc(N)s1 256028306 DWXJGRXFDDQLSY-UHFFFAOYSA-N 492.424 4.013 50 10 JIGE Fc1cc2c(cc1I)nc(CCl)n2C[C@@H]1CN(Cc2ccccc2)CCO1 312456331 XWKATQWOVUUFAH-HNNXBMFYSA-N 499.755 4.420 50 10 JIGE N#CCCn1cc(/C=C(\C#N)C(=O)NCCOc2cccc(Br)c2)c(-c2ccccc2)n1 918681035 ASPDBNHTPHFYFP-XMHGGMMESA-N 490.361 4.328 50 10 JIGE C=CCc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(OCC)c1OCC(=O)OC 1083953775 PDAWYUQHWXCSEI-HYARGMPZSA-N 487.556 4.113 50 10 JIGE Cc1ccc(S(=O)(=O)Oc2ccc(C=NNC(=O)COc3c(C)cc(C)cc3C)cc2)cc1 1084066292 QTGLVPXFABFWCI-UHFFFAOYSA-N 466.559 4.217 50 10 JIGE N#C/C(=C\c1cc(Br)c(Br)o1)C(=O)N1CCN(c2ccccc2)CC1 1084438859 YLXKPFKWGNQXBM-JLHYYAGUSA-N 465.145 4.060 50 10 JIGE C#C[C@H](NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(Br)cc2)c1C)[C@H]1CCCO1 1539109718 NYAGLSWHWVSRCN-ZQMFJJMDSA-N 452.352 4.061 50 10 JIGE COC(=O)c1ccccc1N(C)C(=O)c1oc2c(c1C)C(=NNC(=O)c1ccoc1C)CCC2 1772748949 HOIURKGSPSWHHF-UHFFFAOYSA-N 463.490 4.023 50 10 JIGE Cc1ccc(-c2csc3ncn(CC(=O)N/N=C/c4ccc(Cl)c([N+](=O)[O-])c4)c(=O)c23)cc1 1860772869 JZRVMESZKLRVNO-YCPBAFNGSA-N 481.921 4.145 50 10 JIGE CCc1nn(Cc2ccccc2)c2c1[C@@H](c1cc(Br)c(O)c(OC)c1)C(C#N)=C(N)O2 1865689170 LMGQTLGGPVLCAV-IBGZPJMESA-N 481.350 4.189 50 10 JIGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)c(OC)c1 1865708450 XBIMNFIEGOYYLG-GOSISDBHSA-N 474.414 4.325 50 10 JIGE O=C(c1cc(Br)sc1Br)N1C[C@@H](Br)C[C@]2(CCCO2)C1 1924251577 MZKIDUMFVUAKDM-ISVAXAHUSA-N 488.039 4.432 50 10 JIGE CCN(C[C@](C)(CI)OCCCN1CCCCC1)C(=O)OC(C)(C)C 2055691904 AJNCRKJKEYTTFM-IBGZPJMESA-N 468.420 4.330 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1cc(Cl)ncc1Br 2061269371 AVHSOXNFVZTYGP-UHFFFAOYSA-N 470.842 4.133 50 10 JIGE O=S(=O)(N[C@H]1C[C@@H](CBr)C1)c1c(Cl)cc(Br)cc1Cl 2090072145 HFLPGGVVWDYCGO-WRXNHJIOSA-N 451.995 4.208 50 10 JIGE CC(C)(C)OC(=O)NC[C@@]1(C(F)(F)F)CCCN1C(=O)[C@H](Br)C1CCCC1 2167034307 WBYXIIIKYSNNAD-CXAGYDPISA-N 457.331 4.388 50 10 JIGE Cc1cccc(C(=O)N2CC[C@H](CCBr)[C@@H](C)C2)c1I 2172473466 KWRBUSMHXXFDKU-STQMWFEESA-N 450.158 4.483 50 10 JIGE O=S(=O)(c1ccc(CBr)c(Cl)c1)N1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2179795138 ODLBFCRABGBDMK-HDICACEKSA-N 469.832 4.272 50 10 JIGE C[C@@H](Br)C[C@@H]1COCCN1C(=O)c1ccc(Br)cc1Br 2185320123 VEWQXWSNMKFOEM-MWLCHTKSSA-N 469.999 4.226 50 10 JIGE COCCCNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cc2cccc(OC)c2o1 2296722561 LFTAWIABACINME-UHFFFAOYSA-N 456.502 4.354 50 10 JIGE COc1ccccc1Oc1nc2ccccn2c(=O)c1C=C(C#N)S(=O)(=O)c1ccc(C)cc1 2296724068 DFUXNXKQYVGKRZ-UHFFFAOYSA-N 473.510 4.142 50 10 JIGE CCN(C[C@](C)(CI)OC[C@@H]1C[C@]12CC2(F)F)C(=O)OC(C)(C)C 2307350027 CRFOCCZYVOUEKS-RCBQFDQVSA-N 459.315 4.499 50 10 JIGE O=C(N[C@H]1C[C@@H](CBr)[C@@H]2C[C@@H]12)c1cc(Br)c(Br)s1 2309229894 BOHHFUZBMIEUGW-LKHWLPBLSA-N 458.013 4.422 50 10 JIGE N#CC(=Cc1ccc(OC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1)C(=O)NCc1ccco1 2314753169 FQLLMIQDVKPTEV-UHFFFAOYSA-N 451.822 4.284 50 10 JIGE Cc1ccc(CBr)c(OCc2nn(C)nc2Br)c1Br 2352574641 WWKXGKBBUJGKIL-UHFFFAOYSA-N 453.960 4.122 50 10 JIGE O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)N/N=C/C=C/c1ccc(Cl)c(Cl)c1 1972913 NRDGZKDBJBCVLW-CIKIDKMQSA-N 461.374 4.459 50 10 JIGE N#C/C(=C\c1ccc2c(c1)OCO2)C(=O)OCC(=O)Nc1ccc(Cl)cc1C(F)(F)F 3238536 QRNPJKQANTVYCH-LFYBBSHMSA-N 452.772 4.176 50 10 JIGE O=C1Nc2ccc(Br)cc2/C1=N\NC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 13980270 AMOAPBKFFXAHEA-UHFFFAOYSA-N 469.339 4.054 50 10 JIGE O=C(/C=C/c1ccc(Cl)cc1)NC(=S)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 14834008 YIIMORADWCUGES-OVCLIPMQSA-N 485.009 4.208 50 10 JIGE CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc([N+](=O)[O-])cc3)ccc21 38650498 PKPPJPYOLAISAN-VWLOTQADSA-N 487.468 4.196 50 10 JIGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)cc1 38701354 BRYYQDOFDGKLOW-LOSJGSFVSA-N 470.481 4.049 50 10 JIGE CCOc1ccc(OCC(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2OCC)cc1 40935806 LABSIMVMGPSXLM-XSFVSMFZSA-N 490.512 4.285 50 10 JIGE Cn1c(=O)n(C)c2cc([C@@H](Br)c3ccc(Br)o3)c(Br)cc21 51952408 HJBJVHAMECIHNM-CYBMUJFWSA-N 478.966 4.479 50 10 JIGE Cc1ccc(C)c(OCCCC(C)(C)C(=O)NNC(=O)c2ccc(NC(=O)C3CC3)cc2)c1 66201441 HAOKIYRCVWCWBG-UHFFFAOYSA-N 451.567 4.298 50 10 JIGE O=C(c1cc(Br)cc(Br)c1)N1CCC(OCCBr)CC1 232487875 ITOYDZSBOYEAIH-UHFFFAOYSA-N 469.999 4.228 50 10 JIGE FC(F)c1cnc(I)c(I)c1CBr 238554186 OSHPWDSGVAFITL-UHFFFAOYSA-N 473.824 4.123 50 10 JIGE CC(=NNC(=O)c1cccc([N+](=O)[O-])c1)c1cccc(NC(=O)COc2ccc(Cl)cc2)c1 252631788 VMIGBNUENOBTCX-UHFFFAOYSA-N 466.881 4.420 50 10 JIGE C#CCOc1ccc(Br)cc1C=NNC(=O)COc1ccc(Cl)cc1Cl 252640977 YYSYIKCBIBATRZ-UHFFFAOYSA-N 456.123 4.297 50 10 JIGE COc1ccc(NS(=O)(=O)c2cccc(C(=O)NN=C(c3ccccc3)c3ccccn3)c2)cc1 254450184 SMPJARMGCDDXIE-UHFFFAOYSA-N 486.553 4.073 50 10 JIGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2cccc3ccccc23)sc2c1CC[C@@H](C)C2 254742957 DFABZSGZGUEABC-OAHLLOKOSA-N 463.559 4.292 50 10 JIGE C[C@H](Br)[C@@H]1CCN(C(=O)c2cc(I)ccc2Br)C1 719919894 TZHAUGFMEZHBKV-DTWKUNHWSA-N 486.973 4.299 50 10 JIGE O=C(OCc1ccccc1)N1C[C@H](c2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)[C@@H](CBr)C1 725384271 VEZOVEDNVFJONF-JKSUJKDBSA-N 464.272 4.250 50 10 JIGE COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)OCC(=O)c3ccc4c(c3)NC(=O)[C@H](C)O4)c2C)cc1 728086037 JVYWQBAYSGLQQW-UMUMUWHJSA-N 499.523 4.155 50 10 JIGE CN(C)C(=O)c1cccc(NC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)c1 844148895 IFOUTXCPEDBBJG-UYRXBGFRSA-N 472.936 4.365 50 10 JIGE CN(CCCNC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1)c1ccccc1F 918675324 AEJMBAGIYWDNRY-FXBPSFAMSA-N 456.525 4.153 50 10 JIGE C#CCN(C(=O)NC[C@]1(C)C[C@@H]1Br)[C@@H]1CCOc2ccc(Br)cc21 1233587588 ZXZCGDPDBHVSDJ-HFTRVMKXSA-N 456.178 4.091 50 10 JIGE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NNc2cccc(C)n2)c1 1641985446 ONNGHUAOWIYPOR-UHFFFAOYSA-N 456.955 4.182 50 10 JIGE C#C[C@H](NC(=O)NNc1cc(C(=O)OC)ccc1Br)c1ccc(Cl)cc1F 1683517133 QVQLMCWZVQKYIS-HNNXBMFYSA-N 454.683 4.029 50 10 JIGE COc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2ccccc2)CCC3)c(OC)c1 1772747605 DLCTWANVSZEDOQ-UHFFFAOYSA-N 461.518 4.257 50 10 JIGE CCOc1ccc(NC(=O)COc2cccnc2NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 1858682873 OJFXQRPWKNBKSX-UHFFFAOYSA-N 452.423 4.017 50 10 JIGE CN(C[C@H]1C[C@@H]1Br)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 1887909188 ZNNZXIPQUKUQOW-SVRRBLITSA-N 451.995 4.160 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCC2 1985350009 KHAKLUHKGAQLEM-CVEARBPZSA-N 461.694 4.318 50 10 JIGE O=C(CBr)c1c(OC(F)F)ccc(OC(F)(F)F)c1I 2060367782 ZUHRBQFLTALRHW-UHFFFAOYSA-N 474.945 4.369 50 10 JIGE O=C(c1cc(I)ccc1Br)N1[C@H]2CC[C@@H](C2)[C@H]1CCl 2122178147 DUPODUUNDJUBBT-GMOODISLSA-N 454.533 4.286 50 10 JIGE C[C@@H]1CN(Cc2cc(Cl)ccc2I)C[C@H](CCBr)O1 2122788218 HAEFMSRWFOCMBG-MFKMUULPSA-N 458.565 4.319 50 10 JIGE CCN1CCC[C@@H]([C@H](Br)c2cc(Br)cc(Br)c2)S1(=O)=O 2145759432 LTLYLSUZAIDKGX-QWHCGFSZSA-N 490.055 4.462 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N(CCBr)[C@@H]2C[C@@H]2C)cc1Br 2167107682 XQFFAFDQFBBACU-JOYOIKCWSA-N 490.055 4.314 50 10 JIGE Cc1c(CBr)cccc1S(=O)(=O)N1CCC[C@@H](N(C)Cc2ccccc2)C1 2179778715 GCQRKXOANKMQIC-HXUWFJFHSA-N 451.430 4.175 50 10 JIGE C[C@@H]1CC(F)(F)CCN1S(=O)(=O)c1cc(CBr)sc1Br 2179791784 WKKBPOXXEUPUPK-SSDOTTSWSA-N 453.168 4.214 50 10 JIGE Cc1ccc(I)c(C(=O)N[C@@H](CCBr)C(F)(F)F)c1 2232158010 UOYNMGWKAAQBMY-JTQLQIEISA-N 450.036 4.045 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@@H]2CC[C@@]2(CBr)C1 2295313795 OWVDYLWWKKCBEG-XHDPSFHLSA-N 466.011 4.388 50 10 JIGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NC[C@@H]2CCCO2)cc1C 2296545434 QHNAWTFRSYYXFQ-DEOSSOPVSA-N 456.546 4.449 50 10 JIGE Cc1sc2ncn(CC(=O)NN=Cc3c(Cl)nc4scc(C)n34)c(=O)c2c1-c1ccccc1 2325903962 POWXRHFPDCDXPH-UHFFFAOYSA-N 497.005 4.255 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1C[C@@H]2CC[C@]2(CBr)C1 2340056671 IUKXPERASMXBIS-XPTSAGLGSA-N 454.533 4.192 50 10 JIGE C[C@@H](Br)C[C@H]1CCCCN1C(=O)c1c(Br)c(Br)nn1C 2364031284 IEEVCYJASDESGN-RKDXNWHRSA-N 472.019 4.113 50 10 JIGE CCOc1cc(/C=N/NC(=O)[C@H](O)c2ccccc2)ccc1OC(=O)c1ccc(Br)cc1 1433880 CSIPAGKBKMTIFT-QVGKIPNLSA-N 497.345 4.251 50 10 JIGE CCOc1ccc(NC(=O)CCC(=O)NNC(=O)[C@H](CC)Oc2ccccc2[C@@H](C)CC)cc1 10683394 YJXTUORXZYONGR-AVRDEDQJSA-N 469.582 4.323 50 10 JIGE C=CCOc1ccccc1C(=O)NNC(=S)NC(=O)c1ccccc1OCCCCCC 14033108 SASBYFPZTXYKCY-UHFFFAOYSA-N 455.580 4.160 50 10 JIGE Cc1ccc(OCC(=O)NNC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)c(Br)c1 14038686 RDGIWGLNNABBDD-QGZVFWFLSA-N 483.362 4.418 50 10 JIGE O=C(N/N=C/c1cc(Br)cc(Br)c1O)c1ccc(Cl)c([N+](=O)[O-])c1 20435686 UNLGUNMZYQDHHF-NGYBGAFCSA-N 477.496 4.243 50 10 JIGE CC[C@@](C)(CBr)NS(=O)(=O)c1cc(Br)ccc1Br 136576237 QRENQZLEWCNPMA-NSHDSACASA-N 464.017 4.054 50 10 JIGE CCOc1ccc(CCC(=O)Oc2ccc(/C=C(/C#N)C(=O)NC(C)C)cc2OC)cc1OC 207168680 VXOLVUJTVUHUFI-MOSHPQCFSA-N 466.534 4.072 50 10 JIGE C[C@@H](NC(=O)/C(C#N)=C\NC1CCN(C(=O)OC(C)(C)C)CC1)C12CC3CC(CC(C3)C1)C2 217061816 BSPIJHCQTHFQKZ-QRYCXIMTSA-N 456.631 4.104 50 10 JIGE CC1(C)C[C@H]2C[C@@](C)(CN2CN2C(=O)C(=NNC(=O)c3ccco3)c3cc(Br)ccc32)C1 254578113 MLLAZOBDVBSKBC-UPCLLVRISA-N 499.409 4.381 50 10 JIGE Nc1cccc(F)c1[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1CI 382720195 MWIBOWBRWFPBBV-CABCVRRESA-N 454.283 4.195 50 10 JIGE CC(C)(C)OC(=O)N1C[C@H](c2cc(Br)ccc2N)[C@@H](CI)C1 382731615 UTPLLBDNGXTGOW-GWCFXTLKSA-N 481.172 4.417 50 10 JIGE CC[C@H](C)[C@@H](COC1(CI)CCN(C(=O)OC(C)(C)C)CC1)OC 384672470 DGXMVTXJJVRHDY-LSDHHAIUSA-N 455.377 4.269 50 10 JIGE Cn1c([C@@H](Br)c2cc(I)cc3c2OCC3)cnc1Cl 696509443 KLPFAWKDEQAMSF-NSHDSACASA-N 453.505 4.097 50 10 JIGE CSc1ccc(C=NNC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc1 725388781 CIZMWEFUYCYHCA-UHFFFAOYSA-N 474.007 4.408 50 10 JIGE COc1ccc(N(CC(=O)NN=Cc2ccc(SC)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 1084101013 LGEOBZPUHFOZMV-UHFFFAOYSA-N 483.615 4.071 50 10 JIGE COc1ccccc1-c1ccc(C(=O)NNC(=O)CCC(=O)c2ccc(Br)cc2)c(C)n1 1865760462 YNMCPDCLXSVADV-UHFFFAOYSA-N 496.361 4.252 50 10 JIGE COc1ccc(Br)cc1/C=N/NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C 1873793631 UCAQVACSWDWQAN-MAKCPWPFSA-N 476.371 4.044 50 10 JIGE COc1cccc(/C=N/NC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)c1OCc1ccccc1 1873794890 HMWNBISQFDCMBO-NTRYICDMSA-N 487.622 4.371 50 10 JIGE COc1ccc(Br)cc1C[C@H](Br)CN1C(=O)c2ccccc2C1=O 1888348844 WJMNUWGVHWPQEG-ZDUSSCGKSA-N 453.130 4.060 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@H]2CC[C@@]2(CBr)C1 1903984868 TZBWKMVCHPGWKY-YMTOWFKASA-N 498.984 4.301 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@@H]2C[C@H](C[C@H]2Cl)C1 2107290071 LGTDKECJBDOZLL-VYUIOLGVSA-N 454.533 4.143 50 10 JIGE COc1ccc(Br)cc1C(=O)NCCSSCCNC(=O)OC(C)(C)C 2125301045 YJHSICYYZBTJRS-UHFFFAOYSA-N 465.435 4.094 50 10 JIGE O=C(N[C@H]1CC[C@@H](C(F)(F)F)N(CC2(CBr)CCCCC2)C1)C(F)(F)F 2163058516 LCWQSNUGBWDBSC-RYUDHWBXSA-N 453.265 4.406 50 10 JIGE O=C(NC[C@H]1CCCC[C@@H](Br)C1)c1cc(I)ccc1O 2163745127 FEVLPJFCBZGSEO-WDEREUQCSA-N 452.130 4.070 50 10 JIGE CN(C(=O)c1cccc(F)c1I)[C@@H](CCBr)C(F)(F)F 2178509778 AYFHYMSJNRNGEC-VIFPVBQESA-N 468.026 4.218 50 10 JIGE Cc1c(CBr)cccc1S(=O)(=O)N1CCN(Cc2ccccc2)CC[C@@H]1C 2179775780 ODMVEQQTZPFERD-KRWDZBQOSA-N 451.430 4.175 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CC[C@@H](C(F)(F)CCl)C1 2197766532 QCTCOKGEHHGLDQ-MRVPVSSYSA-N 478.502 4.390 50 10 JIGE Clc1nc(OCCOCCOCCOCc2ccccc2)sc1CBr 2220490750 IDRFWUUDOZWVGZ-UHFFFAOYSA-N 450.782 4.320 50 10 JIGE O=C(Cc1ccc(Br)cc1Cl)N1CCC(CI)CC1 2229143215 FQHQHOQTTYXDDP-UHFFFAOYSA-N 456.549 4.319 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1CC[C@H](Br)C2(CC2)C1 2268349639 YHWWPLMYRMFXLJ-LBPRGKRZSA-N 454.533 4.334 50 10 JIGE O=C(c1c(F)cccc1I)N1CC2(CBr)CCC1CC2 2282798014 USBRZUJWPNUCOE-UHFFFAOYSA-N 452.105 4.210 50 10 JIGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)C(C#N)=Cc1ccccc1 2293198437 PCVDHYSUKOARHT-UHFFFAOYSA-N 467.481 4.414 50 10 JIGE Cc1ccc(C[C@@H]2SC(=C(C#N)C(=O)NCc3ccco3)N(c3ccc(F)cc3)C2=O)cc1 2296834932 CSFQXYDQRYEONH-QFIPXVFZSA-N 461.518 4.470 50 10 JIGE Cc1ccc(CO[C@@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)nc1C 2319277534 XEIVMTTYRJQTDP-LJQANCHMSA-N 460.356 4.420 50 10 JIGE C[C@H]1CN(C(=O)c2ccc(Cl)cc2I)CC[C@H]1CBr 2340068681 PYGJWZGHHBKENH-UWVGGRQHSA-N 456.549 4.438 50 10 JIGE COCCO[C@@H]1[C@@H](Br)C[C@H]1Oc1cc(Cl)c(C)cc1I 2361690594 VAUBTAWZNUDPMV-CUOATXAZSA-N 475.548 4.199 50 10 JIGE COCCO[C@H]1[C@@H](OCc2cc(Br)cc(Br)c2)C[C@H]1Br 2362240191 OHAFTTOVGLEYOG-HZSPNIEDSA-N 472.999 4.296 50 10 JIGE O=C(c1cc(Br)c(Br)s1)N1CC2(CCOCC2)[C@H]1CBr 2381139539 YFKDJGJEWAEIRO-SNVBAGLBSA-N 488.039 4.289 50 10 JIGE CCOC(=O)C/C(C)=N/NC(=O)COc1ccc2cc(Br)ccc2c1Br 12491456 HVTJUVXQLWLADU-SRZZPIQSSA-N 486.160 4.189 50 10 JIGE CC(C)(C)c1ccc(C(=O)NC(=S)NNC(=O)CCc2ccccc2)cc1Br 13977035 NLSVEIKFSQLHOD-UHFFFAOYSA-N 462.413 4.015 50 10 JIGE CCCCOc1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2)cc1Br 14041251 OSUIBKIRWQAMGK-UHFFFAOYSA-N 455.736 4.121 50 10 JIGE O=C(N/N=C1/CCS(=O)(=O)c2ccc(F)cc21)c1ccc(COc2cccc3cccnc23)cc1 33044109 XOAJQEYCJYOMIF-IADYIPOJSA-N 489.528 4.264 50 10 JIGE COc1cc(NC(=O)COC(=O)/C(C#N)=C\c2cc(C)n(CCC(C)C)c2C)c(C)cc1[N+](=O)[O-] 35074443 KYFPYAJHLMWUND-JAIQZWGSSA-N 482.537 4.465 50 10 JIGE CCOC(=O)c1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccccc1)CCC2 40804317 QMFMVIBASVBTSU-VFCFBJKWSA-N 459.502 4.487 50 10 JIGE O=c1[nH]c2cc(Br)c([C@@H](Br)c3ccc(Br)o3)cc2[nH]1 52095157 KEPJPONELJJZQP-LLVKDONJSA-N 450.912 4.459 50 10 JIGE COc1cc(/C=C(/C#N)c2nnc3n2CCCCC3)ccc1OC(=O)COc1ccc(C)cc1 89636918 JFGRFCJSHZNNJQ-ZHZULCJRSA-N 458.518 4.370 50 10 JIGE CCCCCCCOc1ccc(C(=O)NNC(=O)COc2ccc(C(=O)OCC)cc2)cc1 100153833 FKNKEZZHEXNROZ-UHFFFAOYSA-N 456.539 4.053 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2CCCC[C@@H]2CBr)cc1Br 155824775 KBMXTKKGKDRIHV-SNVBAGLBSA-N 490.055 4.458 50 10 JIGE O=C(NC[C@@H]1CCC[C@H]1Br)c1cc(Br)ccc1I 232453539 HPUQGNQKYJWFFK-GZMMTYOYSA-N 486.973 4.347 50 10 JIGE COc1cc(C=NNC(=O)CSc2nc3ccccc3n2C)ccc1OCc1ccccc1 254757314 JXDRLOYDJMOQIU-UHFFFAOYSA-N 460.559 4.403 50 10 JIGE BrCCCc1ccc(I)cc1I 307267291 IHKWBHKAJNQMIA-UHFFFAOYSA-N 450.883 4.223 50 10 JIGE Cn1ncc([C@@H](Cl)c2cc(Br)c3c(c2)CCCO3)c1I 689615601 VKCYGSPCPIXVLS-LBPRGKRZSA-N 467.532 4.440 50 10 JIGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=C(C)CCc2ccccc2)cc1 725427663 FBQBPFZIIRSANH-UHFFFAOYSA-N 493.629 4.054 50 10 JIGE Cc1ccc(N(CC(=O)NN=Cc2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccc(F)cc2)cc1 1084025687 KJRLLWFMQALCTB-UHFFFAOYSA-N 493.482 4.499 50 10 JIGE O=C(NN=Cc1cc(Br)c(O)c(Br)c1)c1cc(Br)ccc1O 1084377978 JHCPWFRAKMGUGQ-UHFFFAOYSA-N 492.949 4.149 50 10 JIGE CC(C)=C1[C@H]2C=C[C@H]1[C@@H](C(=O)NNC(=O)CSCc1c(C)c(C)c(C)c(C)c1C)[C@H]2C(=O)O 1615947975 CDRLIIQMJUROSX-XUFREYRYSA-N 470.635 4.079 50 10 JIGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)CCc2ncc3ccccn23)cc1 1866894860 MZOKCFPYAHMNRN-QHCPKHFHSA-N 487.560 4.345 50 10 JIGE CCCC[C@@H](NC(=O)c1cc(C2CC2)n2nc(C)cc2n1)C(=O)Nc1ccc(SC#N)cc1 1867169289 LFKOJQKDGZFWBN-LJQANCHMSA-N 462.579 4.416 50 10 JIGE Cc1oc(-c2ccc3c(c2)OCO3)nc1CC(=O)NC(C)(C)C(=O)Nc1ccc(SC#N)cc1 1867197432 IFOPIEFBXLLJMB-UHFFFAOYSA-N 478.530 4.028 50 10 JIGE O=C(c1cccc(F)c1I)N1CC[C@@]2(CCC[C@@H]2Br)C1 1918932653 BOJRZCOMOZAKRS-WFASDCNBSA-N 452.105 4.210 50 10 JIGE Brc1cc(I)cnc1N1C[C@H](C2CC2)[C@@H](Br)C1 2015765001 CRQQJNLQCYHWRM-KOLCDFICSA-N 471.962 4.058 50 10 JIGE CCOc1cc(CBr)cc(I)c1I 2060219662 CZAWYYMCLDEAHT-UHFFFAOYSA-N 466.882 4.189 50 10 JIGE CCN1CCC[C@H]([C@H](Cl)c2cc(Br)c(Br)s2)S1(=O)=O 2089515300 PYRQAFHRFXPBLU-NXEZZACHSA-N 451.633 4.367 50 10 JIGE O=C(c1cc(Br)cc(Br)c1)N1C[C@@H]2C[C@H](C[C@H]2Br)C1 2107293572 VZELJLLTLJOSSM-DFAYQTQMSA-N 451.984 4.457 50 10 JIGE CC(F)(F)C[C@@H](CBr)NC(=O)c1ccc(I)c(Cl)c1 2113235327 IQTIQIHDMPISGW-QMMMGPOBSA-N 466.491 4.483 50 10 JIGE COc1ccc(C[C@H](Br)c2cc(I)sn2)cc1OC 2120031378 IRZJTYFOJURSQK-VIFPVBQESA-N 454.127 4.444 50 10 JIGE CN(Cc1ccccc1)[C@H]1CCN(S(=O)(=O)c2ccc(CBr)cc2Cl)C1 2123211873 ZTLFPNHNOABGSJ-KRWDZBQOSA-N 457.821 4.130 50 10 JIGE C[C@H]1CN(Cc2ccccc2)C[C@@H](C)N(S(=O)(=O)c2ccc(CBr)s2)C1 2123241179 FRYDAZMYBTYWJW-JKSUJKDBSA-N 457.459 4.174 50 10 JIGE Clc1ccc(I)c(CN2CC[C@@]3(C[C@H](Br)CO3)C2)c1 2137137366 XSPBBYYSSPECLH-SMDDNHRTSA-N 456.549 4.073 50 10 JIGE CC(C)(C)OC(=O)N1CCN([S@@](C)(=O)=NCC2(CBr)CCCCCC2)CC1 2163057363 AWCCHRYUKQIYAS-MHZLTWQESA-N 466.486 4.287 50 10 JIGE O=S(=O)(c1cc(CCl)oc1Br)N1[C@H]2CCC[C@H]1CN(Cc1ccccc1)C2 2182307323 DPBJLIFZYCBXFH-HOTGVXAUSA-N 473.820 4.209 50 10 JIGE CC(=O)OCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(C)cc2)C(C)=C(C#N)C1=O 2296854995 QVLKISJXZSMUOJ-UHFFFAOYSA-N 494.551 4.393 50 10 JIGE Cc1ccc(C(C)C)c(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)NC[C@@H]2CCCO2)c1 2314436809 IDCOLYWKVOFLLK-FQEVSTJZSA-N 472.545 4.121 50 10 JIGE COc1cc(C=C(C#N)c2ccccc2)ccc1OC(=O)CCN1C(=O)c2ccccc2C1=O 2314720232 HYGRIBSFBCBYRK-UHFFFAOYSA-N 452.466 4.351 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1[C@H]2CC[C@@H]1C[C@H](Br)C2 2340065631 WDKYZROXWXCCPK-GUDFOSOFSA-N 454.533 4.475 50 10 JIGE COc1cc(OC)c([C@@H](Br)c2c(Br)ncn2C)cc1Br 2362436143 NJCDZPFVVGQMQU-LLVKDONJSA-N 468.971 4.447 50 10 JIGE O=C(COc1ccccc1-c1ccccc1)NNC(=S)NC(=O)c1cc(Cl)cc(Cl)c1 10505790 FNXQBYIRTFIFLV-UHFFFAOYSA-N 474.369 4.375 50 10 JIGE CCCCOc1ccccc1C(=O)NC(=S)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 14032379 ZUNCSJODXGUAMP-ZDUSSCGKSA-N 484.405 4.275 50 10 JIGE CC(C)Oc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(OCc3ccccc3)cc2)cc1 14039127 HZNFXAPPGLIABR-UHFFFAOYSA-N 463.559 4.002 50 10 JIGE CC(C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCCc3ccccc3)cc2)cc1 14041861 XCHWACBZXLIFJG-UHFFFAOYSA-N 491.613 4.146 50 10 JIGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)COc2cc(C)cc(C)c2)c(Br)c1 14832196 JPIDVZRGBAPDIH-MRXNPFEDSA-N 463.372 4.185 50 10 JIGE Cc1sc2[nH]c(SCC(=O)N/N=C/c3cccc([N+](=O)[O-])c3)nc(=O)c2c1-c1ccccc1 19646017 ZDEQZIAWOSGOGA-FOKLQQMPSA-N 479.543 4.111 50 10 JIGE COC(=O)c1ccccc1N(C)C(=O)c1oc2c(c1C)/C(=N/NC(=O)c1cccc(OC)c1)CCC2 40822154 UITZVGKFFAKGPU-VFCFBJKWSA-N 489.528 4.130 50 10 JIGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)c(OC)c(OCC)c2)cc1 58894948 ORIFLOHMWSMZST-QHSFOXILSA-N 479.371 4.219 50 10 JIGE COc1ccc2nc(NC(=O)[C@H]3[C@@H](C(=O)OC(CCl)CCl)[C@H]4C=C[C@H]3C4)sc2c1 104663439 KIBVESCOHZYYRQ-ZAGRPGIDSA-N 455.363 4.071 50 10 JIGE COc1ccc(C(=O)Oc2cc(C=NNC(=O)c3cccc(Br)c3)ccc2OC)cc1 252629637 UKPWHPXYITTYLF-UHFFFAOYSA-N 483.318 4.449 50 10 JIGE CCOc1ccc(C=NNC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 254490230 RMRMPOOKTHGJOQ-UHFFFAOYSA-N 457.939 4.303 50 10 JIGE Cc1ccc(SCC(=O)NN=Cc2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)cc1 254519526 JQBOVGWUYMCMQI-FQEVSTJZSA-N 461.587 4.494 50 10 JIGE Cc1cc(CCl)cc(S(=O)(=O)N2C[C@H]3C[C@H]2CN3Cc2ccccc2)c1Br 312273985 NBILRGDIKFCHQC-MSOLQXFVSA-N 469.832 4.144 50 10 JIGE CO[C@H]1CCC[C@@H](OC2(CI)CCN(C(=O)OC(C)(C)C)CC2)C1 685992741 XWELVLLOMAFZTQ-LSDHHAIUSA-N 453.361 4.165 50 10 JIGE O=C(NC[C@H]1CCCC[C@@H]1CBr)c1cccc(F)c1I 721674405 ZZAYBCJKXJQCAB-GHMZBOCLSA-N 454.121 4.361 50 10 JIGE Cc1cc(/C=C(\C#N)C(=O)NC2CCN(C(=O)CC(F)(F)F)CC2)c(C)n1-c1ccc(F)cc1 726948008 JMNVBFBIDQUMEH-LDADJPATSA-N 476.474 4.200 50 10 JIGE C[C@H]1CN(C(C)(C)CNC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)C[C@@H](C)O1 843987298 COYNVHCTCRFSFT-LTNULWHISA-N 495.027 4.028 50 10 JIGE O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)NN=Cc1ccc(Cl)c(Cl)c1 1083960869 BTMHNSNNESQZKE-UHFFFAOYSA-N 462.358 4.339 50 10 JIGE Cc1c(C(=O)NCc2ccccc2)oc2c1C(=NNC(=O)c1cncc(Br)c1)CCC2 1772748004 UOOWXSGNFRIMON-UHFFFAOYSA-N 481.350 4.146 50 10 JIGE CC[C@@H]1CCOC[C@@H]1O[C@@]1(CI)CCCN(C(=O)OC(C)(C)C)C1 1947168671 KBBUTEJIIZEUGU-RVKKMQEKSA-N 453.361 4.023 50 10 JIGE Cc1cc(Br)c(C)c([C@H](Br)[C@H]2CCS2(=O)=O)c1Br 2081058906 HCJYIQVXEFFGFX-BXKDBHETSA-N 461.013 4.452 50 10 JIGE O=C(c1csc(Br)c1Br)N1[C@H](CBr)C[C@@H]2OCC[C@H]21 2093947745 FGIREAMHAIRSAD-ZQARSLAVSA-N 474.012 4.040 50 10 JIGE Cc1sc(CBr)cc1S(=O)(=O)N(C)C[C@@H]1CCN(Cc2ccccc2)C1 2123230095 OEVSIIFWZVFDOD-KRWDZBQOSA-N 457.459 4.094 50 10 JIGE Brc1cccc(CN2CC[C@@]3(C[C@H](Br)CO3)C2)c1Br 2137148582 NOTHAKLQTFDSHF-SMDDNHRTSA-N 454.000 4.340 50 10 JIGE O=C(c1ccc(Br)cc1I)N1[C@H](CBr)[C@H]2CC[C@@H]1C2 2142276696 GWESXMOXPIUTRW-IYYTYJHQSA-N 498.984 4.442 50 10 JIGE C[C@@]12CN(C(=O)c3ccc(Br)cc3I)C[C@@]1(CCl)C2 2142285541 QPTIHIWHPAZHHJ-KGLIPLIRSA-N 454.533 4.145 50 10 JIGE CCN1CCC[C@@H]([C@@H](Cl)c2cc(Br)ccc2I)S1(=O)=O 2145767404 CXSOHIVPVPNFGO-STQMWFEESA-N 492.604 4.148 50 10 JIGE O=S(=O)(c1cc(Cl)c(Br)s1)N1[C@H](CBr)C[C@@H]2CCC[C@H]21 2164660844 BYQUWCUXYHXSSY-OYNCUSHFSA-N 463.644 4.491 50 10 JIGE Cc1cc(CBr)ccc1S(=O)(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1 2179786385 ZVBLOSPVYOKWRC-QGZVFWFLSA-N 451.430 4.033 50 10 JIGE CN(CC1CC(Br)C1)S(=O)(=O)c1ccc(CBr)cc1Br 2196927163 BVFZKPHUFXMWJW-UHFFFAOYSA-N 490.055 4.138 50 10 JIGE COc1c([C@H](Br)c2nn(C)nc2Br)cc(Br)c(C)c1C 2284589623 UEEIXHMDWXPTCQ-JTQLQIEISA-N 467.987 4.450 50 10 JIGE Brc1cc(I)cnc1N1C[C@H]2CC[C@H]1C[C@@H]2Br 2300190798 UTQFJMRSVAAYHG-JEZHCXPESA-N 471.962 4.201 50 10 JIGE O=S1(=O)CC([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2315441352 GGXDTUCTRUEMHT-QMMMGPOBSA-N 485.394 4.485 50 10 JIGE O=C(NNc1ccccn1)[C@@H]1CCCN(C(=O)C=Cc2ccc(OCc3ccccc3)cc2)C1 2328569428 LUJNZONEMGWEMO-HSZRJFAPSA-N 456.546 4.056 50 10 JIGE O=C(Cn1c(O)nc2ccccc2c1=O)NN=Cc1ccccc1OCc1ccc(Cl)cc1Cl 2328809004 VJYRLPJWDMTOSM-UHFFFAOYSA-N 497.338 4.138 50 10 JIGE O=C(N[C@@H]1CC[C@H]2C[C@]21CBr)c1ccc(Cl)cc1I 2340056105 CHKGIFFCGMPZNZ-PELMWDNLSA-N 454.533 4.238 50 10 JIGE COC[C@@]1(CBr)C=CCN1Cc1ccc(Cl)cc1I 2351712517 JHRZXTYDUOSYIR-AWEZNQCLSA-N 456.549 4.097 50 10 JIGE O=C(c1ccc(Br)cc1Br)N(CCBr)C1CCOCC1 2381892062 MGYCSFMINPRSLT-UHFFFAOYSA-N 469.999 4.228 50 10 JIGE O=C(COc1ccc(Cl)cc1Cl)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 13982187 APXANOGFWDRTQV-UHFFFAOYSA-N 458.301 4.086 50 10 JIGE COc1cc(C(=O)NNC(=S)Nc2ccc(Nc3ccccc3)cc2)cc(OC)c1OC 33782439 FPAJBUIDNAVWMC-UHFFFAOYSA-N 452.536 4.087 50 10 JIGE O=C(/C=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)NNC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 35445063 DCXDMVIFFMZQCN-WQLSENKSSA-N 488.412 4.497 50 10 JIGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)c1 38684549 QSMSHBDLBRNXGG-SANMLTNESA-N 499.479 4.362 50 10 JIGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)cc1 38685807 FJIZSQYRUKBSJO-RUZDIDTESA-N 487.468 4.196 50 10 JIGE COCCCNC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 40813659 QJEVSQUUEKEUES-PCLIKHOPSA-N 452.338 4.132 50 10 JIGE Cc1c(C(=O)Nc2ccncc2)oc2c1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 40823209 PKKJUTFUUHNXFY-VPUKRXIYSA-N 480.340 4.225 50 10 JIGE CCOC(=O)COc1ccc(Br)cc1/C=C1\C(C)=C(C#N)c2nc(N)c(C#N)c(C)c21 96581635 OTQULSHNIXDDTH-LZYBPNLTSA-N 479.334 4.400 50 10 JIGE CN1C(=C(C#N)C(=O)CCC(=O)N[C@H]2CCOc3ccc(Br)cc32)N(C)c2ccccc21 108873829 WBKSBZLCTXGZKW-SFHVURJKSA-N 495.377 4.060 50 10 JIGE O=C(NC[C@@H](Br)C1CCC1)c1cc(Br)ccc1I 315948547 ZTQPELLIHWVDIZ-LLVKDONJSA-N 486.973 4.347 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2CCC[C@H](Br)[C@@H]2C)cc1Br 384427158 BPWOLLNIXXTYRD-UWVGGRQHSA-N 490.055 4.457 50 10 JIGE N#C/C(=C\c1cnn2ccccc12)S(=O)(=O)c1cc(Br)ccc1Br 729641519 LHUKKDDQEYNFCE-NTUHNPAUSA-N 467.142 4.198 50 10 JIGE CC(=O)c1cccc(OCCCC(=O)NNc2nnc(-c3ccccc3)n2-c2ccccc2)c1 746871207 ICJSVZLBKKOSBB-UHFFFAOYSA-N 455.518 4.439 50 10 JIGE Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(OCCn3cncn3)c2)c(C)n1-c1ccc(F)cc1 917688515 CMKPRTUWVUXXTE-FYJGNVAPSA-N 470.508 4.449 50 10 JIGE CC(C)(C)OC(=O)NCc1ccccc1CNC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1 1115946576 MOHRBVUSFKYEAB-UHFFFAOYSA-N 454.571 4.153 50 10 JIGE CC(C)Oc1ccc(CNC(=O)NNC(=O)c2ccc(Br)cc2)c(C(F)(F)F)c1 1321435943 NQHZHLRZEBGOQL-UHFFFAOYSA-N 474.277 4.399 50 10 JIGE CCCCCCC(=O)NN=Cc1ccc(OC(=O)c2cc(OC)c(OC)c(OC)c2)c(OC)c1 1772720473 PERHMGIVWBYMDY-UHFFFAOYSA-N 472.538 4.361 50 10 JIGE Cc1occc1C(=O)NNC(=O)c1oc2c(c1C)C(=NNC(=O)c1cccc3ccccc13)CCC2 1772746854 ATMWZVFYVCKTPX-UHFFFAOYSA-N 484.512 4.188 50 10 JIGE CCc1ccc(OCCCC(=O)NN=Cc2cc(OC)c(OC)c(OC)c2)c(Br)c1 1772755977 WPMGYMXSUJOZKG-UHFFFAOYSA-N 479.371 4.347 50 10 JIGE COc1ccc(-c2ccc(C(=O)NNC(=O)c3ccc(CSC)cc3)c(C)n2)cc1OC 1865759276 RGEYEKVRYIOFGI-UHFFFAOYSA-N 451.548 4.012 50 10 JIGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(NS(C)(=O)=O)cc3)n2)c(OC)c1 1872755363 JXULUCGJXDDCAQ-JZJYNLBNSA-N 457.533 4.149 50 10 JIGE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OC(=O)c2ccco2)cc1 1873793643 USGMQXCMCIBANP-XLKFHUSGSA-N 477.517 4.085 50 10 JIGE O=C(N[C@H](CBr)C[C@H]1CCOC1)c1csc(Br)c1Br 1883273301 DOGQOTDGAISSGJ-SFYZADRCSA-N 476.028 4.193 50 10 JIGE O=C(N[C@@H](CCBr)C(F)F)c1scc(Br)c1Br 1918521481 JLZVZZJPFMEJBW-YFKPBYRVSA-N 455.944 4.422 50 10 JIGE CC(C)(C)OC(=O)N1CC(N(Cc2ccccc2)CC2(CBr)CCOCC2)C1 1955955122 BEPBOYIIYBGKBA-UHFFFAOYSA-N 453.421 4.300 50 10 JIGE C[C@H]1C[C@@H](Br)CN(c2ncc(I)cc2Br)C1 1988533317 TVDYQYMYGJUOGR-JGVFFNPUSA-N 459.951 4.058 50 10 JIGE O=C(N[C@@H]1C[C@H](CBr)[C@H]2C[C@@H]21)c1scc(Br)c1Br 2048009624 PPHNNCPUTCSBEU-JAGXHNFQSA-N 458.013 4.422 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CCCC[C@@H]1CBr 2086146603 BVDSVFFBWLBPJQ-SNVBAGLBSA-N 486.973 4.443 50 10 JIGE CN(C)C[C@H]1C[C@@H](Br)CN1Cc1ccc(Br)cc1Br 2122394526 XFXQAIZFYUBSNF-CHWSQXEVSA-N 455.032 4.111 50 10 JIGE C[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(CBr)c2)CCN1Cc1ccccc1 2123198324 BVCLYCLJUMBRHJ-HNNXBMFYSA-N 457.821 4.130 50 10 JIGE O=S(=O)(c1csc(CBr)c1)N1[C@H]2CCC[C@H]1CN(Cc1ccccc1)C2 2125908517 GSOJCLNIRPHSHM-IRXDYDNUSA-N 455.443 4.071 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CC2(CC2)C[C@H]1CBr 2142289189 OVLXWNYUVQNLOT-JTQLQIEISA-N 498.984 4.443 50 10 JIGE CC1(C)[C@@H](CBr)OCCN1C(=O)c1ccc(Br)cc1Br 2159641548 WSBBXDXGPOTMOI-GFCCVEGCSA-N 469.999 4.226 50 10 JIGE O=C(Cc1ccccc1I)NC[C@H]1CCCC[C@@H](Br)C1 2163754107 PKXAWCXFWVYXSD-GXTWGEPZSA-N 450.158 4.294 50 10 JIGE C[C@H](CCCCCI)NS(=O)(=O)Cc1cccc(Br)c1 2234505108 ZELWOOGDMTTXTM-GFCCVEGCSA-N 474.202 4.252 50 10 JIGE O=C(c1c(F)cccc1I)N1CC[C@@H]2C[C@H](Br)CC[C@H]21 2282791686 IRSLCYWWOXSCAK-GIPNMCIBSA-N 452.105 4.208 50 10 JIGE COc1ccc(C=CC(=O)Oc2cccc(C=NNC(=O)Cc3ccc(OC)c(OC)c3)c2)cc1 2296455795 KRIDZBOWGBVGKR-UHFFFAOYSA-N 474.513 4.024 50 10 JIGE COc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1cc(C)ccc1C 2314737536 UEXGTPDAPZJXLX-UHFFFAOYSA-N 460.486 4.113 50 10 JIGE CCOc1cc(C=NNC(=O)[C@H](C)NC(=O)OC(C)(C)C)ccc1OCc1ccccc1C 2328818718 VIXNVSIDBQWXIW-SFHVURJKSA-N 455.555 4.336 50 10 JIGE C[C@@H](Oc1cccc2cccnc12)C(=O)N/N=C/c1cc(Br)cc(Br)c1O 3079824 JELODXVBFPGHAV-QQUGTJAQSA-N 493.155 4.383 50 10 JIGE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc([N+](=O)[O-])s2)cc1 3209623 GXFGMNIKYJSWQW-NMVQVFOTSA-N 491.573 4.424 50 10 JIGE O=C(CCc1ccccc1Cl)NC(=S)NNC(=O)c1ccccc1OCc1ccccc1 10460494 PWTHMAZWVCBTRV-UHFFFAOYSA-N 467.978 4.187 50 10 JIGE Cc1cc(Cl)ccc1OCC(=O)NC(=S)NNC(=O)c1ccc(-c2ccccc2)cc1 12503364 NYZXWTBIWCCHGB-UHFFFAOYSA-N 453.951 4.030 50 10 JIGE Cc1ccc(C(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1Br 14031775 OVJRFLAZBXCXRB-AWEZNQCLSA-N 486.391 4.014 50 10 JIGE Cc1ccc(NC(=O)CCC(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Br)c(C)c1 14644288 UNHYVTHGGCTOEN-AWEZNQCLSA-N 496.789 4.053 50 10 JIGE COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)cc1 27520880 PZTARXGYCNMGSH-FRHHRHFASA-N 478.892 4.178 50 10 JIGE Cc1nn2c(=O)cc(COc3ccc(/C=C(/C#N)C(=O)Nc4ccc(F)cc4)cc3Cl)nc2s1 33248224 SNUFCYJQANBFGZ-NVNXTCNLSA-N 495.923 4.377 50 10 JIGE COc1cc2c(cc1OC)C1=C(C#N)CC/C(=N/S(=O)(=O)c3cccc(Cl)c3)N1CC2 102641025 IDCHNWYLAKJAAZ-DAFNUICNSA-N 457.939 4.031 50 10 JIGE COc1cc(/C=C(/C#N)c2nc3ccccc3c(=O)[nH]2)cc([N+](=O)[O-])c1OCc1ccccc1 169939625 IHMUSPPSCJHXEA-WQRHYEAKSA-N 454.442 4.483 50 10 JIGE COc1ccc(N/C=C(/C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1OC 216485344 GXDVDBJWXGVMSD-FLFQWRMESA-N 482.584 4.457 50 10 JIGE COc1cc(C[C@H](Cl)c2cc(Br)ccc2I)ncn1 234995902 QXPBWRXUXQDPMH-NSHDSACASA-N 453.505 4.375 50 10 JIGE CC1(C)O[C@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](n3ccc4c(Cl)nc(N)nc43)[C@@H]2O1 238809588 WXKYMEIKPSQDLH-UMPJEAMMSA-N 455.031 4.106 50 10 JIGE in-vitro C#CCOc1c(C=NNC(=O)COc2ccc(Cl)cc2Cl)cc(Br)cc1OC 252621986 NLUZSWUZEALEQR-UHFFFAOYSA-N 486.149 4.306 50 10 JIGE Cc1nn(C)c(CC(CBr)(CBr)C2CCOCC2)c1Br 696859794 ZPFFBYKWTJMAEN-UHFFFAOYSA-N 473.047 4.236 50 10 JIGE C[C@@H]1CN(C(=O)c2cc(Br)ccc2I)C[C@H]1CBr 709091735 ZSMRMKORELHQEW-RKDXNWHRSA-N 486.973 4.157 50 10 JIGE O=S(=O)(N[C@H](CBr)CC(F)(F)F)c1cc(Cl)c(Br)s1 717832458 XOSQGTQBYPORFT-BYPYZUCNSA-N 465.538 4.158 50 10 JIGE C[C@@H](Br)C(C)(C)NC(=O)c1ccc(I)c(Br)c1 721593065 IKNMQVSJWMWDHL-SSDOTTSWSA-N 474.962 4.346 50 10 JIGE COc1ccc(Br)cc1[C@H]1CCCN1C(=O)NNC(=O)c1cccc2cccnc12 725867551 ZWOVVRGPVCJGDH-GOSISDBHSA-N 469.339 4.197 50 10 JIGE N#CCCn1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(C(N)=O)c2)c(-c2ccc(Cl)cc2)n1 913010800 CDEAKZACUGGKKD-GDNBJRDFSA-N 479.327 4.415 50 10 JIGE C[C@@H]1C[C@@H](C)CN(CCCCNC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)C1 920475813 GOPWQHJHOVKVMC-MSURWQBHSA-N 458.610 4.245 50 10 JIGE CC(=NNC(=O)COc1c(C)cc(Br)cc1Br)c1ccccc1O 1083862169 ORDOKJPBOFQIEW-UHFFFAOYSA-N 456.134 4.145 50 10 JIGE C=CCc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)ccc1OCC(=O)O 1084092461 RMOHLCQADCQVMJ-UHFFFAOYSA-N 457.280 4.151 50 10 JIGE COc1cc(OC)c(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1Br 1084291122 MRXBQPKCXDAAMN-CXUHLZMHSA-N 454.324 4.213 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(F)c2)[C@H]1c1ccc2c(c1)OCCO2 1865698095 KIYUVQJHZDIYMN-SFHVURJKSA-N 472.398 4.079 50 10 JIGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)c2ccc3oc(O)nc3c2)cc1 1867124917 XWEXLCJLSZTONH-HXUWFJFHSA-N 476.489 4.225 50 10 JIGE COC(=O)c1c(NC(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)sc(/C(C)=C/C#N)c1C 1873428490 PNAWSGWLSVWUBL-GMMCIKNFSA-N 487.965 4.424 50 10 JIGE Brc1cc(C[C@@H]2COCC[C@@H]2Br)ccc1I 1904329705 MWJODPFRDGEGDH-ZJUUUORDSA-N 459.947 4.396 50 10 JIGE Brc1cc(I)cnc1N1CC[C@H](Br)[C@H]2CC[C@H]21 1909270548 OVMYZPANUHHCEJ-WCABBAIRSA-N 471.962 4.201 50 10 JIGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)c1c(F)c(F)c(F)c(F)c1F 1916355753 YIOMEEHQTIPIMT-LLVKDONJSA-N 452.217 4.434 50 10 JIGE Brc1cc(I)cnc1N1CC[C@@H](Br)[C@@H]1C1CC1 2015767319 ORBHBPDKKWHMMP-KOLCDFICSA-N 471.962 4.201 50 10 JIGE O=C(CBr)c1ccc(OC(F)F)c(I)c1Br 2054809532 FOEWNRLLRCXYAR-UHFFFAOYSA-N 469.845 4.233 50 10 JIGE C[C@@H](Br)[C@H]1CCCN1C(=O)c1ccc(I)c(Br)c1 2073312184 IPEJAIVKGCNLPO-PRHODGIISA-N 486.973 4.442 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1C[C@@H]2C[C@H](C[C@@H]2Br)C1 2107292474 JHSCGMWDGSZGAV-PTRXPTGYSA-N 454.533 4.190 50 10 JIGE C=C[C@@]1(CBr)COCCN1Cc1c(Br)cccc1Br 2135111976 OXNLTVGCDWAAAY-CQSZACIVSA-N 454.000 4.364 50 10 JIGE CCCN1CC[C@@H]([C@H](Br)c2cc(Cl)ccc2I)S1(=O)=O 2145769414 PLTYEPYBUNVOHI-QWHCGFSZSA-N 492.604 4.195 50 10 JIGE C[C@H]1CCCN(C(=O)c2cc(I)ccc2F)[C@H]1CCBr 2169668788 UKDWSXWGUXWRGU-HZMBPMFUSA-N 454.121 4.456 50 10 JIGE O=S(=O)(c1cc(Cl)c(Br)s1)N1[C@H]2CC[C@@H]1C[C@H](CBr)C2 2184585357 JCRPXDWRDIZFMH-AYMMMOKOSA-N 463.644 4.491 50 10 JIGE Cc1ncc2nc(CCl)n(-c3ccc(Br)c(I)c3)c2n1 2286621567 OJKJKKAVCMJANR-UHFFFAOYSA-N 463.504 4.230 50 10 JIGE FC(F)(F)c1cnc(N2CC[C@@H](Br)[C@@H]3CC[C@@H]32)c(I)c1 2357031323 LGHLYBVPHIDUKD-NGZCFLSTSA-N 461.063 4.457 50 10 JIGE Cc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)/C=C\c3ccco3)cc2)c(Br)c1 8386428 ZEPOKXXRFAKQJI-UHGXCCGVSA-N 483.318 4.498 50 10 JIGE COc1cccc(/C=N/NC(=O)COc2c(C)cc(Br)cc2Br)c1 12483233 ZZWLVBJSBAHHQT-AWQFTUOYSA-N 456.134 4.058 50 10 JIGE O=C(NNC(=S)NC(=O)c1sc2ccccc2c1Cl)c1ccccc1Br 14018132 PHVUSUVLILUDCE-UHFFFAOYSA-N 468.785 4.267 50 10 JIGE CCN1C(=O)/C(=N/NC(=O)COc2ccc3cc(Br)ccc3c2)c2cc(C)ccc21 33959283 IEJDWZNHOYTYGW-XTCLZLMSSA-N 466.335 4.177 50 10 JIGE COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(O)c(Br)c2)c([N+](=O)[O-])c1 96558097 GIAXWDJFVDFDOC-WMZJFQQLSA-N 497.099 4.380 50 10 JIGE COc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1cccc(C)c1C 206408436 XGADMQHFVHISDI-NDENLUEZSA-N 460.486 4.113 50 10 JIGE Cc1nn(Cc2ccccc2)c(Cl)c1C=NNC(=O)COc1cccc(Br)c1 254746861 LPWXBKONDHEZJU-UHFFFAOYSA-N 461.747 4.185 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1C2CCC1(CBr)CC2 723011084 XQVHLUUYXMSVHG-UHFFFAOYSA-N 488.039 4.292 50 10 JIGE COc1cc([N+](=O)[O-])ccc1-n1nc(C)c(C=NNC(=O)c2ccc(Cl)cc2Cl)c1C 1084062686 UIGQROZAYUMQBM-UHFFFAOYSA-N 462.293 4.477 50 10 JIGE CCOc1cc(/C=C(\C#N)C(=O)N(C)C)cc(I)c1OCc1ccc(F)cc1 1084071568 KUKAVXMNZGZZPY-CXUHLZMHSA-N 494.304 4.403 50 10 JIGE COc1ccc(N(CC(=O)NN=Cc2ccc3c4c(cccc24)CC3)S(=O)(=O)c2ccccc2)cc1 1084115610 KVCNFSZGIIOUCD-UHFFFAOYSA-N 499.592 4.293 50 10 JIGE CC(=O)c1oc2cc(C)ccc2c1CC(=O)NNC(=O)[C@H](C)Oc1c(C)cc(Cl)cc1C 1135433591 PJUOSBNCLOYYQP-INIZCTEOSA-N 456.926 4.371 50 10 JIGE CC(=O)c1oc2cc(C)ccc2c1CC(=O)NNC(=O)[C@@H](C)Oc1c(C)cc(Cl)cc1C 1135433592 PJUOSBNCLOYYQP-MRXNPFEDSA-N 456.926 4.371 50 10 JIGE COc1cc(C(=O)Nc2cccc(C(=O)Nc3ccc(SC#N)cc3)n2)cc(OC)c1OC 1860552920 AZOYGAXHKYAIOU-UHFFFAOYSA-N 464.503 4.185 50 10 JIGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1cc(OC)ccc1OC)C(C#N)=C(N)O2 1865691829 CESISFTYPMXSCX-HXUWFJFHSA-N 481.350 4.433 50 10 JIGE CC(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)n1 1868231919 WVCHKATUXQVCCA-UHFFFAOYSA-N 480.619 4.127 50 10 JIGE CC(C)(C)OC(=O)NC[C@](C)(CI)OC[C@H]1C[C@@H](C(F)(F)F)C1 1905186006 IKJDPOXXNQURRS-WDMOLILDSA-N 451.267 4.310 50 10 JIGE O=C(c1cc(Br)c(Cl)s1)N1C[C@H](Br)[C@H](Br)C1 1990930925 DYTMCUSXAMRVDZ-OLQVQODUSA-N 452.393 4.147 50 10 JIGE BrC[C@@H]1CCN(c2ncc(I)cc2Br)C12CC2 2016067122 XXBHNMYZDOYOTF-QMMMGPOBSA-N 471.962 4.203 50 10 JIGE BrCc1ccc(N2C[C@@H]3OCCN(Cc4ccccc4)[C@H]3C2)c(Br)c1 2036445914 PJDURVIMOFMANA-PMACEKPBSA-N 466.217 4.434 50 10 JIGE CCN(C[C@](C)(CI)OC[C@H]1C[C@@]12CCCOC2)C(=O)OC(C)(C)C 2077654255 NYQYAGVXOFUSNZ-AYOQOUSVSA-N 467.388 4.270 50 10 JIGE CC[C@H](Br)[C@H]1CCCCN1C(=O)c1ccc(I)c(O)c1 2170612109 GQFLJMZUXHKUNU-WCQYABFASA-N 452.130 4.165 50 10 JIGE Cc1ccc(CBr)cc1S(=O)(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1 2179787547 QNHWDAQWTFCFSS-QGZVFWFLSA-N 451.430 4.033 50 10 JIGE O=C(c1csc(I)c1)N1CC[C@@H]2[C@H](Br)CCC[C@H]2C1 2225379015 FFGZLLNJHFJBLD-ZMLRMANQSA-N 454.171 4.378 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)NCCC(F)(F)CBr 2277920441 QGFUSQITMLLCSN-UHFFFAOYSA-N 463.942 4.291 50 10 JIGE COc1c(Cl)cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1Br 2294638482 LDYIUBAGQZMSEP-UHFFFAOYSA-N 460.759 4.367 50 10 JIGE CCOCCCN1C(=O)C(=Cc2ccc(OCc3ccccc3)c(OC)c2)C(C)=C(C#N)C1=O 2314617808 BGONBMGJMJKJIC-UHFFFAOYSA-N 460.530 4.293 50 10 JIGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)C1CS(=O)(=O)C1 2317399854 KKKOOGDRXDZWKM-VIFPVBQESA-N 464.976 4.140 50 10 JIGE CN(C=C(C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1 2324602974 JVFPZZAAMNJCDL-UHFFFAOYSA-N 450.586 4.460 50 10 JIGE CC(C)N(CCOCCBr)C(=O)c1ccc(Cl)cc1I 2365586212 JUAOBRZQPBIZRV-UHFFFAOYSA-N 474.564 4.207 50 10 JIGE CC(C)COc1cccc(C(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c1 10283425 QAZGMOIGUUWSSK-ZDUSSCGKSA-N 484.405 4.131 50 10 JIGE CCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1cc(C)ccc1C(C)C 14032409 YHUFHTKWNJTJCL-UHFFFAOYSA-N 457.596 4.012 50 10 JIGE CCCCOc1ccc(Br)cc1C(=O)NNC(=O)CCC(=O)Nc1cc(C)ccc1C 14649792 JPZYJPRTRSTCOV-UHFFFAOYSA-N 490.398 4.425 50 10 JIGE COc1ccc(Nc2ncnc(NNC(=O)c3cccc4ccccc34)c2[N+](=O)[O-])c(OC)c1 40619634 QFBHCKGUMNBRQH-UHFFFAOYSA-N 460.450 4.056 50 10 JIGE CC1(C)C[C@H](NC(=O)Nc2n[nH]c3c2CCN(Cc2ccccc2)C3)C[C@@](C)(CN=C=O)C1 170290918 LGCNNXBQMUOUTB-UQBPGWFLSA-N 450.587 4.010 50 10 JIGE Cc1cccc(CN/C=C(/C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 216509343 YGEVTLGLJDRVAC-QYQHSDTDSA-N 450.586 4.426 50 10 JIGE CN1C(=O)N(c2cccc3ccccc23)[C@H](NC(=O)NN=Cc2ccc([N+](=O)[O-])cc2)C1(C)C 254897081 HPOGEVXVZHMMFR-NRFANRHFSA-N 460.494 4.058 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2C[C@H](C)C[C@@H](Br)C2)cc1Br 401611556 KBJFALWBBKBVQV-PSASIEDQSA-N 490.055 4.314 50 10 JIGE CCC[C@H](Br)CNC(=O)c1ccc(I)c(Br)c1 721594752 RMZXNCDIRXAFKS-VIFPVBQESA-N 474.962 4.347 50 10 JIGE C[C@@]1(CBr)CCCN1S(=O)(=O)c1cc(Br)ccc1Br 722980021 JNACAQCJDBSAOK-LBPRGKRZSA-N 476.028 4.150 50 10 JIGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc(C(=O)O)cc3)cc2)cc1 1083944798 HDEXYYNIGBWEGR-RUZDIDTESA-N 476.529 4.326 50 10 JIGE C=CCC[C@@H](NC(=O)NNC(=O)c1cc(OC)cc(OC)c1)c1ccc(C(F)(F)F)cc1 1230693651 JVLVWARISMBPTM-LJQANCHMSA-N 451.445 4.374 50 10 JIGE Cc1cccc(C(=O)NN=C2CCCc3oc(C(=O)NNC(=O)c4ccc(Cl)cc4)c(C)c32)c1 1772744263 APNQPCVGKDVMEP-UHFFFAOYSA-N 478.936 4.095 50 10 JIGE CCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865704666 BGKTYSODMZYGKB-DEOSSOPVSA-N 493.523 4.276 50 10 JIGE CN(C)c1ccc([C@@H](NC(=O)/C(C#N)=C/c2cccc(Br)c2)c2nccn2C)cc1 1866130609 CVUNQYZPTVXXAF-DILWRCETSA-N 464.367 4.061 50 10 JIGE BrC[C@@H](C1CC1)N(Cc1ccccc1)c1ncncc1I 1915167449 VZDBYWHBHVLDEB-HNNXBMFYSA-N 458.141 4.261 50 10 JIGE Cc1cc(CBr)cc(S(=O)(=O)N2CC(OCc3ccccc3)C2)c1Br 2059288586 JDEUKQXJWCMBMQ-UHFFFAOYSA-N 489.229 4.242 50 10 JIGE O=C(CCl)c1c(C(F)F)ccc(I)c1I 2060389120 GTKGGSDRUDIZFV-UHFFFAOYSA-N 456.395 4.255 50 10 JIGE O=C(NC[C@]1(CBr)CCCOC1)c1cccc(Br)c1Br 2148752843 PXSWIZLSPPOVQZ-CQSZACIVSA-N 469.999 4.133 50 10 JIGE Cc1cc(Br)c(CBr)c(N(C)Cc2c(Br)nnn2C)c1 2173445215 RZQIIEFJSJKXOI-UHFFFAOYSA-N 467.003 4.180 50 10 JIGE O=S(=O)(c1cc(CBr)sc1Br)N1CCS[C@@H]2CCC[C@@H]21 2179790113 ZRYSBGRKOFPFRE-VHSXEESVSA-N 461.266 4.064 50 10 JIGE Cc1csc(CBr)c1S(=O)(=O)N(C)C[C@@H]1CCCN(Cc2ccccc2)C1 2179817116 VSZWTHASGLCEQR-SFHVURJKSA-N 471.486 4.484 50 10 JIGE CC(C)(C)OC(=O)N1CCC([S@@](C)(=O)=NCCCCCI)CC1 2211184786 NEFAZFFNNZYZAL-HSZRJFAPSA-N 458.406 4.089 50 10 JIGE O=S1(=O)CCC[C@@H]1[C@@H](Br)c1cc(Br)c(Br)cc1F 2218598350 SQRBWTRFRBZSSC-MNOVXSKESA-N 464.976 4.364 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N1CC[C@@](F)(CBr)C1 2277922760 BRTZVOKQVDUVNI-CYBMUJFWSA-N 457.963 4.090 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@@H]2C[C@H](C[C@@H]2Br)C1 2295308785 AQXVLJYLBPGZKD-SUNKGSAMSA-N 466.011 4.386 50 10 JIGE CCCCOc1ccc(C=C(C#N)C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1OC 2296818087 IGQFWHGBUPPBMT-UHFFFAOYSA-N 453.564 4.459 50 10 JIGE O=C(NN=Cc1ccc(O)c(Cl)c1)c1cccn(Cc2ccc(Cl)c(Cl)c2)c1=O 2323651920 VFQDKYACQKJHRX-UHFFFAOYSA-N 450.709 4.326 50 10 JIGE C[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccc(OCc2ccc(Br)cc2)cc1 2328818715 SZOLCLSMSUBYQH-HNNXBMFYSA-N 476.371 4.391 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1[C@H]2CC[C@@H]1C[C@H]2CBr 2329071736 RPWGQNMUZOUERM-PLMOITTCSA-N 454.533 4.333 50 10 JIGE O=C(N[C@H]1C[C@@H]2C[C@H]1C[C@@H]2Cl)c1cc(Br)ccc1I 2330913453 GWADOIUQLUODIK-BSCUDYGSSA-N 454.533 4.189 50 10 JIGE Cc1ncnc(N(C)CC[C@@H](Br)c2cccs2)c1I 2340488653 IHCYQPYDEWXXOQ-SNVBAGLBSA-N 452.159 4.414 50 10 JIGE C[C@H]1CN(Cc2ccc(I)c(Br)c2)C[C@@H](CCCl)O1 2349861024 JVRBIWQAROZMFC-CMPLNLGQSA-N 458.565 4.272 50 10 JIGE BrC[C@@]12CCCC[C@@H]1N(Cc1ncc(I)cn1)CCC2 2381293292 MNIXJJPAXGWXRY-ZFWWWQNUSA-N 450.162 4.001 50 10 JIGE CC[C@@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)c1 10671779 OGUJCLDWOIDTDJ-QGZVFWFLSA-N 496.633 4.332 50 10 JIGE O=C(NNC(=O)c1ccccc1[N+](=O)[O-])c1cc(Br)ccc1OCCc1ccccc1 14665513 XJBIASBXCPGXIW-UHFFFAOYSA-N 484.306 4.054 50 10 JIGE CC[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)c1ccc(NC(=O)C2CC2)cc1 14768746 HTEKZPQDRWSMSO-DEOSSOPVSA-N 457.530 4.321 50 10 JIGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)COc2ccccc2Cl)c(Br)c1 14832304 MGMVOWZFQRFZSQ-CYBMUJFWSA-N 469.763 4.221 50 10 JIGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2[N+](=O)[O-])cc(I)c1OC 33416796 LIWUKAXEOUWQAU-JYRVWZFOSA-N 493.257 4.152 50 10 JIGE Nn1c(SCCCC(=O)N/N=C/C=C/c2ccccc2)nnc1-c1ccc(Br)cc1 58989856 OUOWMQYHHKYJTH-WCTDENNASA-N 485.411 4.109 50 10 JIGE Cc1cccc(C(=O)Nc2cccc(C(=O)N/N=C/c3cc(Cl)cc([N+](=O)[O-])c3O)c2)c1 97729939 SBGGVKXHGHXJFS-WYMPLXKRSA-N 452.854 4.278 50 10 JIGE CCOc1cc(/C=N/NC(=O)c2ccc3[nH]c(-c4ccccc4O)nc3c2)cc(Cl)c1O 169926502 BJNAECCAZYVBNJ-BRJLIKDPSA-N 450.882 4.457 50 10 JIGE CC(C)[C@H](CI)NC(=O)c1cc(Br)c(Br)s1 232727619 VLUBULCRPSKZFB-ZETCQYMHSA-N 480.991 4.463 50 10 JIGE COc1ccc(C(=O)Nc2cccc(C(C)=NNC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1OC 252627247 RPPYDTRCQQWEJF-UHFFFAOYSA-N 462.462 4.018 50 10 JIGE COc1cc(C(=O)NN=C(C)c2ccc(NC(=O)C3CCCCC3)cc2)cc(OC)c1OC 254303617 WWXOBUPHAKSPMQ-UHFFFAOYSA-N 453.539 4.385 50 10 JIGE COc1cc(C=NNC(=O)CSc2nc3ccccc3n2Cc2ccccc2)ccc1OC(C)=O 254617088 ICROSDCHLHYZRU-UHFFFAOYSA-N 488.569 4.261 50 10 JIGE CC(=NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1)c1ccc(-n2cnnn2)cc1 254822562 KOSFAYGYVYJGAD-UHFFFAOYSA-N 481.560 4.366 50 10 JIGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc([N+](=O)[O-])cc3)cc2OCC)cc1 254870828 GWRMPUJBFAOQRR-UHFFFAOYSA-N 477.473 4.375 50 10 JIGE Nc1cc(F)ccc1[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1CI 382732882 VKSALNXOAVNJJR-RHSMWYFYSA-N 454.283 4.195 50 10 JIGE COC1(CBr)CCN(C(=O)c2cc(Br)sc2Br)CC1 401911460 LLCPWEDRTXRMLE-UHFFFAOYSA-N 476.028 4.289 50 10 JIGE CCN(C[C@](C)(CI)O[C@@H]1CCC[C@H](OC)C1)C(=O)OC(C)(C)C 686727351 GVGHYRFQWJOXQE-DAYGRLMNSA-N 455.377 4.411 50 10 JIGE O=C(c1cccc(F)c1I)N1CC[C@H]2CC[C@H](Br)[C@H]1C2 721513708 NPSPUJUMDKBBFG-SUZMYJTESA-N 452.105 4.208 50 10 JIGE COc1ccc(NC(=S)NNC(=O)Cc2c(C)nn(-c3ccc(C)c(Cl)c3)c2C)cc1F 727499136 KIRPSGARXDIZIA-UHFFFAOYSA-N 475.977 4.159 50 10 JIGE CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)NNC(=O)c1sc(-c3ccccc3)nc1C)O[C@H](C)C2 730514616 BHZGRGKTYXSCCP-WNYOCNMUSA-N 477.586 4.405 50 10 JIGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)Nc2ccc3ccccc3c2)cc1 920847515 FSXWTJTZZYTFHO-STZFKDTASA-N 465.513 4.133 50 10 JIGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(-c3cc(C(=O)OC)ccc3C)o2)cc1 1084086458 KZOZCADOYYUOEK-HSZRJFAPSA-N 464.518 4.404 50 10 JIGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)ccc1OCc1cccc([N+](=O)[O-])c1 1084404834 HUIKWCMQQYCIQD-QFIPXVFZSA-N 463.490 4.146 50 10 JIGE Cc1cc(C=NNC(=O)C(=O)NCCc2ccccc2)c(C)n1-c1cccc(Cl)c1Cl 1084506791 SXCRWURHYLDREM-UHFFFAOYSA-N 457.361 4.210 50 10 JIGE CC(C)=C1[C@H]2C=C[C@H]1[C@H](C(=O)NNC(=O)CCOc1cc(Cl)c(Cl)cc1Cl)[C@H]2C(=O)O 1088733058 KZWCGSHLCKMHII-UEOMHXKCSA-N 487.767 4.032 50 10 JIGE Cc1c(C(=O)NC2CC(C)(C)NC(C)(C)C2)oc2c1C(=NNC(=O)c1ccccc1)CCC2 1772744704 GSOJZYKECYZOKP-UHFFFAOYSA-N 450.583 4.097 50 10 JIGE COc1cccc(/C=N/NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)c1OCc1ccc(F)cc1 1873795380 GBIJEOBXQBPEEW-XYGFXTTESA-N 473.545 4.413 50 10 JIGE O=C1c2ccccc2C(=O)N1C[C@H](Br)Cc1c(F)ccc(F)c1Br 1905405105 NUHRZEQBMIDRIY-SECBINFHSA-N 459.084 4.330 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2CC[C@@](F)(CBr)C2)cc1Br 1917123157 QYGBQMPFVRVSLG-GFCCVEGCSA-N 494.018 4.018 50 10 JIGE CN(CCN(Cc1ccccc1)S(=O)(=O)c1cc(CBr)ccn1)Cc1ccccc1 1984647377 XNMZGGXFJUKSGZ-UHFFFAOYSA-N 488.451 4.299 50 10 JIGE CC(C)OC(C)(C)CO[C@]1(CI)CCCN(C(=O)OC(C)(C)C)C1 2015765453 FVDQRGNQAOEGFN-SFHVURJKSA-N 455.377 4.411 50 10 JIGE O=C(c1scc(Br)c1Br)N1C[C@@H]2[C@H](CBr)C[C@H]2C1 2053995918 XOMVYGPMARGLGT-BIIVOSGPSA-N 458.013 4.376 50 10 JIGE O=C(c1cccc(Br)c1Br)N1C[C@H](CBr)C2(CC2)C1 2092336370 XFWPDCJXVLRJEO-VIFPVBQESA-N 451.984 4.459 50 10 JIGE COCCN1C[C@@H](Br)[C@@H](Cc2cccc(Br)c2Br)C1 2100730613 LLZPANCDOITXDS-WCQYABFASA-N 456.016 4.096 50 10 JIGE C[C@@]1(COc2c(Br)cc(Br)cc2CBr)COCCO1 2117548403 FCAQHMPZOMUAAN-ZDUSSCGKSA-N 458.972 4.291 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@H]2C[C@H](Cl)C[C@H]2C1 2128645797 RRIUQEZTFMHRAJ-JZYVYDRUSA-N 454.533 4.143 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CC[C@H](CBr)C12CC2 2133829378 AQRKHSYRBBVRPZ-SECBINFHSA-N 498.984 4.443 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@@H]2C[C@H](CBr)[C@@H]2C1 2142290045 XKOZHQSUWXTZNC-PTRXPTGYSA-N 498.984 4.157 50 10 JIGE ClCc1cc(N2CCC[C@]3(CN(Cc4ccccc4)CCO3)C2)ncc1Br 2151750782 AEVNPCBAMJBBMI-NRFANRHFSA-N 450.808 4.454 50 10 JIGE ClCc1cc(Br)cnc1N1CCC[C@]2(CN(Cc3ccccc3)CCO2)C1 2151751073 DLKRYRCAJVYWJY-NRFANRHFSA-N 450.808 4.454 50 10 JIGE FC(F)(F)c1cnc(N2C[C@H](Br)C3(CCC3)C2)c(I)c1 2165056943 GAYOJXMVAYWTAC-JTQLQIEISA-N 461.063 4.459 50 10 JIGE Cc1sc(Br)cc1S(=O)(=O)N(CCBr)Cc1cccs1 2171101594 JYXWKBYUPDWKMM-UHFFFAOYSA-N 459.250 4.466 50 10 JIGE CC1(C)C[C@@H](CBr)CN(C(=O)c2ccc(F)cc2I)C1 2172585075 IWZIKRIVTWGRFK-JTQLQIEISA-N 454.121 4.314 50 10 JIGE CC(C)n1cc(S(=O)(=O)N2CC[C@H](COCc3ccccc3)C2)cc1CBr 2179860348 QJGIWPIRFBKBSP-SFHVURJKSA-N 455.418 4.191 50 10 JIGE CC(C)(C)OC(=O)N[C@H](Cc1ccccc1Br)C(=O)NCC1CC(Br)C1 2229134438 AJJBXFZXOOVAQD-LDZOIKDWSA-N 490.236 4.175 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1C[C@@H]2C[C@H](CBr)[C@@H]2C1 2268345765 OEJJZJBSNXAGNQ-VWYCJHECSA-N 454.533 4.048 50 10 JIGE CCCCOc1cccc(C=C(C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)c1 2295672252 GNPXCYSXLOWHDP-UHFFFAOYSA-N 491.573 4.310 50 10 JIGE C=CC[C@@H](Cl)[C@H]1CCN1C(=O)c1ccc(Br)cc1I 2335813387 HUGJFSDIUDDTPO-DGCLKSJQSA-N 454.533 4.452 50 10 JIGE CCOC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccccc2CC)=C(C#N)[C@@H]1c1ccccc1Cl 9980859 NDZKQRONBNXMPU-VXKWHMMOSA-N 498.004 4.402 50 10 JIGE C[C@H](Oc1ccc(Cl)cc1)C(=O)NNC(=O)COc1ccc2ccccc2c1Br 14007279 SDWAYUKBAJKUQX-ZDUSSCGKSA-N 477.742 4.249 50 10 JIGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccnc1 33340167 JWHOZQMOCMTIRJ-MOSHPQCFSA-N 450.458 4.066 50 10 JIGE O=C(NN=Cc1ccc(OC(=O)c2ccc(Br)cc2)cc1)c1cccc([N+](=O)[O-])c1 252590635 ATZHQHIEFARCFY-UHFFFAOYSA-N 468.263 4.340 50 10 JIGE COC1(CBr)CCN(C(=O)c2cc(Br)ccc2Br)CC1 401852194 LMLRQXPCGRGKMF-UHFFFAOYSA-N 469.999 4.228 50 10 JIGE C[C@@H]1C[C@H](Br)CN(S(=O)(=O)c2cc(Br)ccc2Br)C1 401894868 JJOKLFQAOQVZKF-SCZZXKLOSA-N 476.028 4.006 50 10 JIGE CC[C@@H](C[C@H](C)Br)NS(=O)(=O)c1cc(Br)ccc1Br 716937880 YBEBQNKHVUWTSI-WPRPVWTQSA-N 478.044 4.442 50 10 JIGE COc1cc(C=NNC(=O)c2cccc(C(F)(F)F)c2)cc(I)c1OC 1084076238 PHEYXDVLQBNVIB-UHFFFAOYSA-N 478.208 4.091 50 10 JIGE COc1cc(C=NNC(=O)c2ccc(C(C)(C)C)cc2)cc(I)c1O 1084236103 IKAXQZOZKQSLOV-UHFFFAOYSA-N 452.292 4.067 50 10 JIGE COC(=O)c1ccc(-n2c(C)cc(C=NNC(=O)CC[C@@H](O)c3ccccc3)c2C)cc1Cl 1084534902 ZXOVHZKXXHGMDA-HSZRJFAPSA-N 467.953 4.498 50 10 JIGE COCc1cc(C)nc(OCC(=O)NN=Cc2cccc(OCc3ccc(Cl)cc3)c2)c1C#N 1084577610 QLNXHWQWVZSJQJ-UHFFFAOYSA-N 478.936 4.170 50 10 JIGE CCOc1c(C=NNC(=O)COc2ccc(Br)cc2Br)cccc1OC 1772754070 OGQRIHNVEINVDQ-UHFFFAOYSA-N 486.160 4.148 50 10 JIGE CCOc1ccc(NC(=O)[C@H](C)Oc2cccnc2NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 1858687511 MFZFYLALZWACBQ-HNNXBMFYSA-N 466.450 4.405 50 10 JIGE C[C@]1(CBr)CCN1Cc1ccc(I)c(Br)c1 1904344884 ZORNXJJBDSZXBA-GFCCVEGCSA-N 458.963 4.413 50 10 JIGE C[C@H]1CN(Cc2ccccc2)C[C@@H](C)CN1S(=O)(=O)c1cc(CCl)oc1Br 1921420279 UMCMSBKDIXJBNJ-CABCVRRESA-N 475.836 4.312 50 10 JIGE CC1(C)C[C@@H](Br)CN(c2ncc(I)cc2Br)C1 2015765496 OJCBCPGHXPUKRQ-MRVPVSSYSA-N 473.978 4.449 50 10 JIGE CCOC(=O)Cc1cc(Br)c(I)cc1CBr 2054993945 ZRKUVQMIQNPWHQ-UHFFFAOYSA-N 461.919 4.054 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@H](Br)C2(CC2)C1 2086144736 DHOWOWLOKAVIND-NSHDSACASA-N 484.957 4.053 50 10 JIGE CC(C)(C)OC(=O)NC[C@@H]1CN(C[C@@H](Br)C(F)(F)F)CC[C@@H]1C(F)(F)F 2106785581 PPARPWSTCIINIZ-OUAUKWLOSA-N 457.253 4.337 50 10 JIGE CCCN1CC[C@@H]([C@H](Br)c2ccc(I)c(Cl)c2)S1(=O)=O 2145770043 RJCZCPBWGPICOK-QWHCGFSZSA-N 492.604 4.195 50 10 JIGE CCN1CCC[C@H]([C@H](Cl)c2ccc(I)c(Br)c2)S1(=O)=O 2145784057 ZMMLPVQSAGEAIA-CHWSQXEVSA-N 492.604 4.148 50 10 JIGE FC(F)(F)c1cnc(N2CC[C@@H]3[C@H](CBr)[C@H]3C2)c(I)c1 2149545933 MZJFYQNJFOWHMW-UTLUCORTSA-N 461.063 4.172 50 10 JIGE CN(CC[C@H](Br)c1ccccc1)C(=O)c1cc(I)sn1 2176534079 GQZDMZMLWUWMHI-NSHDSACASA-N 465.154 4.346 50 10 JIGE Cc1cc(S(=O)(=O)N2C[C@H](C)N(Cc3ccccc3)C[C@@H]2C)ccc1CBr 2179785796 QTXHNYSYGIREII-ROUUACIJSA-N 451.430 4.173 50 10 JIGE O=C(NCCCCCCI)c1c(F)cccc1I 2255946202 VPQJBIFPYCZMMC-UHFFFAOYSA-N 475.083 4.156 50 10 JIGE O=C(NC[C@]1(F)C[C@H](CBr)C1)c1ccc(Cl)c(I)c1 2268351779 HKAMENLIDYHIEG-XCSCGOTBSA-N 460.512 4.188 50 10 JIGE O=C(c1c(F)cccc1I)N1C[C@H](Br)CC12CCCC2 2282811583 RQMMQZFRNXMGST-SNVBAGLBSA-N 452.105 4.353 50 10 JIGE Cc1c(NC(=O)C(C#N)=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)c(=O)n(-c2ccccc2)n1C 2296853198 HRXMYHAWZWGGHB-UHFFFAOYSA-N 469.457 4.198 50 10 JIGE Cc1cc(S(=O)(=O)N[C@@H](CCBr)COCc2ccccc2)sc1Cl 2303550913 QIHDBVBOFLPIPP-AWEZNQCLSA-N 452.823 4.359 50 10 JIGE FC(F)(F)[C@H](CBr)NCc1ccc(I)c(Br)c1 2306226188 YKWKEXJYFYJXKB-VIFPVBQESA-N 486.895 4.469 50 10 JIGE O=C(N[C@@H]1C[C@@H](CBr)[C@H]2C[C@H]21)c1cc(Br)c(Br)s1 2309225194 BOHHFUZBMIEUGW-YYWONIAYSA-N 458.013 4.422 50 10 JIGE COc1cc(C=CC(=O)NN)cc(I)c1OCc1ccc(Cl)cc1Cl 2314014561 REWFHIRDEXKLLP-UHFFFAOYSA-N 493.128 4.189 50 10 JIGE COc1ccc(N2C(=O)[C@@H](Cc3ccccc3F)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314593952 WKPBFWJOAKGOSR-JOCHJYFZSA-N 477.517 4.170 50 10 JIGE COc1ccc(C=NNC(=O)c2cccn(Cc3cccc(Cl)c3)c2=O)cc1OC(C)C 2323652368 JTLKKJWOSXCCBW-UHFFFAOYSA-N 453.926 4.110 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@H]2C[C@H](CCl)[C@H]2C1 2330494191 KYQHCJXYGZZXQR-KBVBSXBZSA-N 454.533 4.001 50 10 JIGE O=C(NC[C@H](CBr)C1CCC1)c1ccc(Cl)cc1I 2340064099 NWBSHDVANXVUMS-JTQLQIEISA-N 456.549 4.486 50 10 JIGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CC[C@@H]2CC[C@@H](Br)[C@H]1C2 2355744173 HSMZEGXHMOXKCZ-QXFUBDJGSA-N 463.644 4.491 50 10 JIGE O=C(COc1ccccc1Cl)NNC(=O)COc1c(Cl)cc(Cl)cc1Br 9779788 VUIZDEBVCKGKPW-UHFFFAOYSA-N 482.545 4.015 50 10 JIGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1 38654638 JYOXBDGZDGATMI-HSZRJFAPSA-N 457.442 4.431 50 10 JIGE Cc1ccccc1C(=O)NNc1ncnc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1N 40729921 XEIYEQLAROZABI-UHFFFAOYSA-N 493.615 4.036 50 10 JIGE Cc1c(C(=O)NCc2ccc3c(c2)OCO3)oc2c1/C(=N/NC(=O)c1ccccc1Cl)CCC2 40812606 IDGZOPRTWZEZJN-MTDXEUNCSA-N 479.920 4.371 50 10 JIGE CCCCOc1ccccc1/C=C/C(=O)Oc1ccc(/C=C(\C#N)C(=O)N2CCOCC2)cc1OC 41016971 WBOFGKRZTKSDQJ-FMCCYYFXSA-N 490.556 4.259 50 10 JIGE O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1 59181409 FDZICDIEVBFWFS-ZMOGYAJESA-N 461.503 4.293 50 10 JIGE COC(=O)/C(C#N)=C\c1c(N(Cc2ccccc2)Cc2ccccc2)nc2c(C)cccn2c1=O 102994088 YAWVSQDEZDHIAQ-KQWNVCNZSA-N 464.525 4.290 50 10 JIGE N#C/C(=C\c1cccn1-c1ccc(Br)cc1)C1=NN(c2ccccc2)[C@@H](N)[C@H]1C#N 103792427 FOQXPDSDGJLLSQ-NKLAVGJLSA-N 457.335 4.448 50 10 JIGE CCCOc1c(Br)cc(/C=N\NC(=O)c2sc(N)nc2CC)cc1OCC 169892287 IUPHIVLEFOEZLJ-FBHDLOMBSA-N 455.378 4.002 50 10 JIGE O=C(NN=Cc1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)c2ccccc2Br)cc1 252616733 KEJSAAKWZLRVJI-UHFFFAOYSA-N 467.279 4.374 50 10 JIGE COc1ccc(NS(=O)(=O)c2cccc(C(=O)NN=C3CCCCc4ccccc43)c2)cc1 254898927 RVAYHIMDOUSEOI-UHFFFAOYSA-N 463.559 4.357 50 10 JIGE Cn1ncc([C@@H](Br)c2cc3c(cc2Br)OCC3)c1Br 308409767 CBRZRTBCXDHEKA-LBPRGKRZSA-N 450.956 4.364 50 10 JIGE CC(C)(C)OC(=O)N[C@H](CON1C(=O)c2ccccc2C1=O)CO[Si](C)(C)C(C)(C)C 396516042 KGHXZGHPLRSMOV-OAHLLOKOSA-N 450.608 4.129 50 10 JIGE C[C@H]1C[C@H](Br)CN(C(=O)c2cc(I)ccc2Br)C1 401966280 UUFOQBANCTZQJU-IUCAKERBSA-N 486.973 4.299 50 10 JIGE O=C(NNC(=O)c1ccccc1OCc1ccc(F)cc1)N[C@H](c1ccccc1)[C@H]1CCCO1 726711429 GHJPFSRIGQXVBV-DNQXCXABSA-N 463.509 4.269 50 10 JIGE CC(=NNC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1)c1ccccc1 1084395620 WNWOUPBIJJWODT-UHFFFAOYSA-N 455.967 4.384 50 10 JIGE C#Cc1cccc(NC(=S)NNC(=O)Cc2cccc(OCCCOc3ccccc3)c2)c1 1471690761 ACIAOHXRVFKPDF-UHFFFAOYSA-N 459.571 4.076 50 10 JIGE COc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2ccc([N+](=O)[O-])cc2)CCC3)cc1 1772746624 DUEWFICVXHXFKV-UHFFFAOYSA-N 476.489 4.156 50 10 JIGE COC(=O)c1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccs2)CCC3)cc1 1772748827 GLZARYBLZCGHHS-UHFFFAOYSA-N 451.504 4.159 50 10 JIGE COC[C@@H](C)NC(=O)c1oc2c(c1C)C(=NNC(=O)Cc1coc3c(C)c(C)ccc13)CCC2 1772752013 RFRSFSNPULKIPO-OAHLLOKOSA-N 465.550 4.115 50 10 JIGE C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)N/N=C/c4ccc(Br)cc4F)c(=O)c23)C1 1860774196 QQCCSIOIAKCWHX-NMQDFBSDSA-N 491.386 4.196 50 10 JIGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(Cl)c2)cc(OC)c1OC 1865693189 SNSONIYTJWXKMB-NRFANRHFSA-N 466.925 4.137 50 10 JIGE CCCn1nc(CC)c2c1OC(N)=C(C#N)[C@H]2c1cc(Br)c(OCC)c(OC)c1 1865697163 OKCPOZQONOPCSD-QGZVFWFLSA-N 461.360 4.243 50 10 JIGE N#CSc1ccc(NC(=O)CNC(=O)CCC(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1 1868151299 HJKAPPQCVLEDOQ-IBGZPJMESA-N 493.614 4.068 50 10 JIGE CN(C[C@H]1C[C@H](Br)C1)C(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21 1881362238 CMSMVJUEBKJVRZ-WKILWMFISA-N 457.368 4.157 50 10 JIGE Cc1cc(S(=O)(=O)N(C)C[C@H](Br)COCc2ccccc2)sc1Cl 1916359553 DCCAZKRXQREODJ-AWEZNQCLSA-N 452.823 4.311 50 10 JIGE O=C(NC[C@H](CBr)C1CCC1)c1cc(Cl)ccc1I 2089961932 ZTZWXEQOMUEGOR-JTQLQIEISA-N 456.549 4.486 50 10 JIGE CN(C)C[C@@H]1C[C@H](Br)CN1Cc1c(Br)cccc1Br 2122367596 HNJOJHFSJNINNO-QWRGUYRKSA-N 455.032 4.111 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@@H]2CC[C@H](C1)C2Br 2142289171 XQMBXXKRTXIHMT-PHXKMMTBSA-N 498.984 4.299 50 10 JIGE O=C(NCC[C@H]1CCCC[C@@H]1Br)c1ccc(I)c(O)c1 2179637982 VLFZIWNYURUZNR-PWSUYJOCSA-N 452.130 4.070 50 10 JIGE O=S(=O)(c1ccc(CBr)s1)N1CCC[C@H]1[C@H]1CCN(Cc2ccccc2)C1 2179810217 CNNVENURWDQJFV-HKUYNNGSSA-N 469.470 4.318 50 10 JIGE CN(C1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)S(=O)(=O)[C@@H]1CC[C@@H](CBr)C1 2179828760 TZUYKYGYAUWBRA-XAAMQAMVSA-N 455.462 4.007 50 10 JIGE O=S(=O)(c1cc(CBr)cc(F)c1F)N(Cc1ccccc1)C[C@H]1CCCO1 2179860481 SAOMAGQOOYEQPH-MRXNPFEDSA-N 460.340 4.230 50 10 JIGE C[C@]1(CCOCc2ccccc2)CCN1S(=O)(=O)c1cc(CBr)ccc1F 2197755138 RWSBBHBVZFIEAO-HXUWFJFHSA-N 456.377 4.481 50 10 JIGE O=S(=O)(Nc1c(Cl)cc(Cl)cc1Br)N1CCC(Br)CC1 2203049891 UIVRUCHAXQXWKZ-UHFFFAOYSA-N 467.010 4.272 50 10 JIGE C[C@]1(CCl)C=CCCN1C(=O)c1ccc(I)c(Br)c1 2264396067 KOIDMCCMJYTYRD-CQSZACIVSA-N 454.533 4.453 50 10 JIGE Cc1cc(F)c(CBr)c(-n2ccnc2CCCN2C(=O)c3ccccc3C2=O)c1 2268171324 IUVUVFNURPQJKZ-UHFFFAOYSA-N 456.315 4.444 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1CC[C@]12C[C@@H](CBr)C2 2268346669 JIUHDMYVDLTWDR-KMHCFJFGSA-N 454.533 4.334 50 10 JIGE O=C(c1c(F)cccc1I)N1CC[C@]2(CCC[C@@H]2Br)C1 2282779948 IDVTUDZNVTVXBM-SWLSCSKDSA-N 452.105 4.210 50 10 JIGE C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)NN=Cc4ccc(Br)cc4F)c(=O)c23)C1 2318792720 QQCCSIOIAKCWHX-VXGBXAGGSA-N 491.386 4.196 50 10 JIGE N#CC(=Cc1ccc(Br)cc1)C(=O)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 2324506040 SXYFMLDRQCJVDH-DEOSSOPVSA-N 450.380 4.481 50 10 JIGE Cc1ccc(-c2csc3ncn(CC(=O)NN=Cc4cccc(OC(C)C)c4)c(=O)c23)cc1 2325904654 RJMKKRVEMHVRKB-UHFFFAOYSA-N 460.559 4.371 50 10 JIGE CC(C)(C)OC(=O)N1CCC12CCS(=O)(=NC[C@@]1(CBr)CC1(F)F)CC2 2351886123 ULLSLTOEJLFZAM-BLYNYQJESA-N 457.381 4.048 50 10 JIGE CCOC(=O)c1sc(NC(=O)/C(C#N)=C\c2ccc(OCC)cc2)c(C(=O)OCC)c1C 1965190 BEKUDLUDJQSFJN-VBKFSLOCSA-N 456.520 4.354 50 10 JIGE O=C(Cc1ccccc1)NNC(=O)c1cc(Br)ccc1OCCc1ccccc1 14665543 VSJWBBBMOBLLIP-UHFFFAOYSA-N 453.336 4.074 50 10 JIGE O=C(NNC(=O)c1cc(Br)ccc1OCCc1ccccc1)c1cccc([N+](=O)[O-])c1 14665576 WGFDYJSAFUXRST-UHFFFAOYSA-N 484.306 4.054 50 10 JIGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc([N+](=O)[O-])c2)cc1C 38654005 JAPLLHPDXIOUGK-RUZDIDTESA-N 471.469 4.414 50 10 JIGE Cc1ccc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)CCC3)cc1 40814633 GFBSNCBGIXZPHR-LHLOQNFPSA-N 461.474 4.423 50 10 JIGE COc1cc(/C=C(\C#N)C(=O)NC(C)C)ccc1OC(=O)COc1ccc(Br)c(C)c1 40879155 WOZGZCZYBMEUDB-LICLKQGHSA-N 487.350 4.182 50 10 JIGE CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2OC)cc1 40882671 PVFTXXXCHJAMIF-CAPFRKAQSA-N 485.606 4.450 50 10 JIGE CCCCC(C)=NNC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 252612686 IUQJVNIWPPDHPF-UHFFFAOYSA-N 466.401 4.327 50 10 JIGE C=CCc1cccc(C=NNC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C)cc2)c1O 254498160 MLQMUXDNTXXUKO-UHFFFAOYSA-N 484.581 4.371 50 10 JIGE COc1ccc(-n2c(SCC(=O)NN=Cc3cccc(OC)c3)nnc2-c2ccccc2)cc1 254502044 WHMMPNJZOALNNZ-UHFFFAOYSA-N 473.558 4.194 50 10 JIGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)C(=O)Nc2ccccc2OC)cc1 254849118 OLHGEQLAQLWHHY-UHFFFAOYSA-N 497.507 4.165 50 10 JIGE CC1(C)CN(C(=O)c2cc(I)ccc2Br)C[C@H]1Br 387867613 JAISFWJHEADYHG-LLVKDONJSA-N 486.973 4.299 50 10 JIGE C[C@@H]1CC[C@@H](Br)CN1S(=O)(=O)c1cc(Br)ccc1Br 399370773 SANIQKKXNOYSLP-PSASIEDQSA-N 476.028 4.148 50 10 JIGE C[C@@]1(CBr)CCCN1C(=O)c1cc(Br)ccc1I 723025535 BBTVKCNUVTZJIR-ZDUSSCGKSA-N 486.973 4.443 50 10 JIGE Cc1cc(C=NNC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)c(C)n1-c1ccccc1F 1084614683 OMZSLWQCOOKWRW-UHFFFAOYSA-N 492.576 4.303 50 10 JIGE Cc1cc(=NC(=O)[C@@H]2CCCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3cccnc3)n2)[nH]o1 1868565464 KGMDBLZKBDOIBG-FQEVSTJZSA-N 498.572 4.181 50 10 JIGE C[C@@H]1CC[C@@H](Br)CN1c1ncc(I)cc1Br 1988532014 AKZYRBHGZWOUGQ-HTQZYQBOSA-N 459.951 4.201 50 10 JIGE O=S1(=O)CCC[C@H]([C@@H](Br)c2cc(Br)ccc2Br)C1 2029373191 ASXJECGDBLMVNS-QPUJVOFHSA-N 461.013 4.472 50 10 JIGE O=C(NC1(CCCBr)CC1)c1cc(I)ccc1Br 2029621381 HIRGIPJOQIJTCN-UHFFFAOYSA-N 486.973 4.491 50 10 JIGE O=C(N[C@@H]1C[C@H](CBr)[C@H]2C[C@H]21)c1csc(Br)c1Br 2048004297 DONXIIGREFXKJP-JXOAFFINSA-N 458.013 4.422 50 10 JIGE O=C(CCl)c1cc(I)c(OC(F)(F)F)c(I)c1 2060034833 VOOSUINMZSVXPX-UHFFFAOYSA-N 490.384 4.216 50 10 JIGE O=S(=O)(C[C@H](Cl)c1cc(Br)c(Br)s1)N1CCCCC1 2089399087 YLHSRNGKXLDGCS-VIFPVBQESA-N 451.633 4.369 50 10 JIGE O=S(=O)(CCC(CCl)CCl)Nc1c(Br)cccc1Br 2104648454 ATZSEUZPWZQPRZ-UHFFFAOYSA-N 454.011 4.437 50 10 JIGE Cc1sc(CBr)cc1S(=O)(=O)N1CCC(N(C)Cc2ccccc2)CC1 2123244542 XJAYKDWROCXXJY-UHFFFAOYSA-N 457.459 4.237 50 10 JIGE Cc1ccc(I)c(C(=O)N(C)[C@H](CCBr)C(F)(F)F)c1 2240900244 BCZDFJNYYXAHBQ-LLVKDONJSA-N 464.063 4.388 50 10 JIGE COc1ccc(C=CC(=O)Oc2ccc(C=NNC(=O)COc3cc(C)ccc3C)cc2)cc1 2297499042 SOAMXKDVCMXNBE-UHFFFAOYSA-N 458.514 4.460 50 10 JIGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)C(C#N)=Cc2ccc(OC)cc2)c(OC)c1 2314777863 YFZSZHURWSPOIJ-UHFFFAOYSA-N 459.502 4.040 50 10 JIGE CC(C)(C)OC(=O)N1CCC(CI)(OC[C@@H]2C[C@H]3[C@@H](C2)C3(F)F)CC1 2320757586 WSJYJZOMYDBZBV-BTTYYORXSA-N 471.326 4.499 50 10 JIGE COc1cccc(-c2ccc(C(=O)NN=Cc3cc(Br)c(O)c(OC)c3)c(C)n2)c1 2321239330 BOOJGZNZVOBMRO-UHFFFAOYSA-N 470.323 4.306 50 10 JIGE N#CC(=CN1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)Nc1ccccc1[N+](=O)[O-] 2324107380 RICWJXXHFSJNHM-UHFFFAOYSA-N 467.529 4.348 50 10 JIGE O=C(c1c(Br)cccc1Br)N1C[C@H]2C[C@H](CBr)[C@H]2C1 2330496423 PRXBARRQIUZWAM-OPRDCNLKSA-N 451.984 4.315 50 10 JIGE C=CC[C@H](Br)[C@@H]1CCN1C(=O)c1ccc(Cl)cc1I 2340062340 YPRUJECXHHTXOT-AAEUAGOBSA-N 454.533 4.499 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1CC[C@@H](Br)[C@H]2CC[C@H]21 2357030111 QHDWFNMDCSIJPJ-CKYFFXLPSA-N 488.039 4.148 50 10 JIGE CC[C@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)/C=C/c2cccc3ccccc23)cc1 13983577 WLNDRKYPGHSIDM-QCUIPMNBSA-N 461.587 4.467 50 10 JIGE CC(C)COc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(-c3ccccc3)cc2)cc1 14030639 ILASGISOQRXLPA-UHFFFAOYSA-N 477.586 4.103 50 10 JIGE CC(C)COc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2OCc2ccccc2)cc1 14030678 PVRONVWNCPSHPB-UHFFFAOYSA-N 477.586 4.250 50 10 JIGE O=C(NNc1ncnc(Sc2cccc3cccnc23)c1[N+](=O)[O-])c1ccccc1Cl 40658350 MORNWZLWRQGEAI-UHFFFAOYSA-N 452.883 4.495 50 10 JIGE CCc1ccc(OCCCC(=O)N/N=C/c2ccc(OC)c([N+](=O)[O-])c2)c(Br)c1 40959315 ILDDMCAEOYIWBH-LPYMAVHISA-N 464.316 4.238 50 10 JIGE CCN(CC)c1ccc(/C=N/NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)cc1 58988728 ZADRXPPQOXVVJX-OGLMXYFKSA-N 485.617 4.418 50 10 JIGE COc1cc(/C=N/NC(=O)COc2cc(C)cc(C)c2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 59475771 WNAUSKOYGRHAEH-DHRITJCHSA-N 494.460 4.450 50 10 JIGE FC(F)c1c(I)cnc(CBr)c1I 238590784 QKLQOIDFPIXRSX-UHFFFAOYSA-N 473.824 4.123 50 10 JIGE CCN(CC)c1ccc(C=NNC(=O)CSc2nnc(CNc3cccc(Cl)c3)n2C)cc1 252620311 MBONYJNGKKRZFC-UHFFFAOYSA-N 486.045 4.169 50 10 JIGE O=C(CCC(=O)Nc1cc(Cl)ccc1Cl)NN=Cc1cccc(I)c1 252622486 NWIXBXCKVTXKIQ-UHFFFAOYSA-N 490.128 4.467 50 10 JIGE COc1ccc(/C=C/C(=O)Oc2ccc(C=NNC(=O)COc3ccc(C)cc3C)cc2)cc1 254739042 RYEIGPAOUXCEHA-HZUGMTNWSA-N 458.514 4.460 50 10 JIGE Cn1ncc([C@@H](Br)c2cc3c(cc2Br)OCCO3)c1Br 379183699 UXTUNNGZRYTGII-LBPRGKRZSA-N 466.955 4.201 50 10 JIGE Cn1ncc([C@@H](Br)Cc2ccc(Br)cc2)c1I 379202106 IKMURKZVNQILOL-NSHDSACASA-N 469.946 4.466 50 10 JIGE CN(C[C@@H](Br)C1CC1)C(=O)c1cc(I)ccc1Br 690146140 NPLXTFMORBTZMB-GFCCVEGCSA-N 486.973 4.299 50 10 JIGE O=C(N[C@@H](CBr)CC(F)F)c1cc(I)ccc1Br 717775674 HLJCNWIZGSYCAP-SSDOTTSWSA-N 496.915 4.202 50 10 JIGE CC(=NNC(=O)c1cn(C)c2ccccc12)c1ccc(NC(=O)C[C@@H]2Nc3ccccc3NC2=O)cc1 725841589 FPXHNAVNYZQORD-DEOSSOPVSA-N 494.555 4.094 50 10 JIGE CCNC(=O)Nc1cccc(NC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)c1 742417003 HAJPPAPYSNGABJ-RGEXLXHISA-N 453.506 4.151 50 10 JIGE CCOc1ccccc1NC(=O)C(=O)NN=Cc1ccc(OCc2ccc(F)cc2)c(OCC)c1 1083924603 IOXNEWWVRNRUCS-UHFFFAOYSA-N 479.508 4.291 50 10 JIGE C#Cc1cccc(NC(=S)NNC(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(C)c2)c1 1651317177 AKRFIDHSYPNOAJ-IZZNHLLZSA-N 468.626 4.210 50 10 JIGE CCOc1cc(C=NNC(=O)[C@H](C)Oc2ccc(Cl)cc2C)cc(Br)c1O 1772719779 VJMPGPVJBYRZOY-LBPRGKRZSA-N 455.736 4.433 50 10 JIGE Cc1c(C(=O)Oc2cccnc2)oc2c1C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772744842 LAMRHJQSXAPYRT-UHFFFAOYSA-N 468.307 4.435 50 10 JIGE Cc1ccc(OCc2nc(CC(=O)N[C@H](C)C(=O)Nc3ccc(SC#N)cc3)cs2)cc1 1866582998 HTFCLDWWHIRMKJ-MRXNPFEDSA-N 466.588 4.290 50 10 JIGE CC[C@H](NC(=O)Cc1csc(COc2ccccc2)n1)C(=O)Nc1ccc(SC#N)cc1 1866590575 BQSPSMIGLPHIFR-FQEVSTJZSA-N 466.588 4.371 50 10 JIGE Cc1c(CNC(=O)OCC2c3ccccc3-c3ccccc32)c(C)c(B(O)O)c(C)c1N=[N+]=[N-] 1887514660 IAEWRYNHBWURSG-UHFFFAOYSA-N 456.311 4.272 50 10 JIGE CCOc1ccc(CBr)c(I)c1I 2060222314 NFIKXDNOYQBKJJ-UHFFFAOYSA-N 466.882 4.189 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@@H]2CC[C@@H](Br)[C@H]2C1 2087938245 WEMGXWGCBLRYJH-KPXOXKRLSA-N 498.984 4.299 50 10 JIGE CCN1CCC[C@H]([C@H](Cl)c2csc(Br)c2Br)S1(=O)=O 2093943934 AZHOGZVPKVUGFW-PSASIEDQSA-N 451.633 4.367 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1CCC2(CC(Br)C2)C1 2117404043 BBXNIBAMVUXESU-UHFFFAOYSA-N 454.533 4.334 50 10 JIGE C[C@H](Br)C[C@@H]1COCCN1C(=O)c1cc(Br)sc1Br 2128876486 FHWKLDQBYXUYOX-JGVFFNPUSA-N 476.028 4.288 50 10 JIGE O=C(N[C@@H]1CC[C@H]2C[C@]21CCl)c1cc(I)ccc1Br 2132113619 XRTDUXHSHCOEQN-PELMWDNLSA-N 454.533 4.191 50 10 JIGE CN(C[C@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1ccccc1CBr 2179811755 JSAAAXQRWOBLEV-LJQANCHMSA-N 451.430 4.114 50 10 JIGE Clc1ccc(I)c(CN2CCO[C@@H]3C[C@@H](CBr)C[C@H]32)c1 2199761023 ACWVHHGBRLXGCA-COLVAYQJSA-N 470.576 4.319 50 10 JIGE O=S(=O)(c1cc(CBr)cs1)N1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 2226349758 LMUFXRPURJXSRU-HDICACEKSA-N 455.443 4.071 50 10 JIGE CN(C(=O)c1c(F)cccc1I)C1CCC(CBr)CC1 2282794656 MMKMQGRNUZWOOM-UHFFFAOYSA-N 454.121 4.456 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N1CC(F)(F)C[C@H]1CBr 2295310292 UYOULQSFPLBXQZ-NSHDSACASA-N 475.953 4.385 50 10 JIGE CCOc1ccc(-n2c(C)cc(C=C(C#N)C(=O)OCC(=O)NC(=O)NC3CCCCC3)c2C)cc1 2297486613 HGDPEHQTXREDJI-UHFFFAOYSA-N 492.576 4.102 50 10 JIGE COc1cc(C=C2C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1 2314618112 HMGZOUFWISSHKU-NRFANRHFSA-N 458.514 4.045 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1CC[C@@H](Br)CC12CC2 2340068159 KFOLORCBFMCMGX-SECBINFHSA-N 454.533 4.477 50 10 JIGE CN(C[C@@H]1C[C@H]1Br)[C@@](C)(C(=O)O)c1cc(Br)c(Br)s1 2347667861 NIHAWXLJGLOYNI-QRPMWFLTSA-N 476.028 4.288 50 10 JIGE CC1(C)CC[C@H](CBr)N(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2364209663 VHKCFVRSXMZWDU-QGZVFWFLSA-N 499.471 4.058 50 10 JIGE CN([C@H]1CCCCC[C@@H]1Cl)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364213123 FGHVPWNGDVVDEZ-PMACEKPBSA-N 455.020 4.045 50 10 JIGE CN(C1(CCl)CCCCC1)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364215407 SZBXRVBJXMTAGV-UHFFFAOYSA-N 455.020 4.046 50 10 JIGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)c3ccc(C(C)C)cc3)cc2)c1 10453101 VNADSUZYMGWRDT-UHFFFAOYSA-N 474.586 4.320 50 10 JIGE CC(C)CCOc1ccc(C(=O)NNC(=S)NC(=O)c2cc(Cl)cc(Cl)c2)cc1 10506123 BQGLNXRHMGZPAX-UHFFFAOYSA-N 454.379 4.368 50 10 JIGE COc1ccccc1C(=O)NNC(=O)c1ccc(-n2nc(C(F)(F)F)c3c2-c2ccoc2CC3)cc1 39852181 XSRJMAXCSFMEPU-UHFFFAOYSA-N 496.445 4.333 50 10 JIGE COc1cc(/C=N/NC(=O)COc2cc(C)c(Cl)c(C)c2)cc(Br)c1OC 40911937 DXVDYGPRFKSAPW-LSFURLLWSA-N 455.736 4.266 50 10 JIGE CS(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccc(-c3cc(Cl)cc(Cl)c3)s2)cc1 97490884 RDQLLVZWKHVNRG-UHFFFAOYSA-N 469.371 4.200 50 10 JIGE CCOc1ccc(/C=N\NC(=O)c2cccn(Cc3cccc(Cl)c3)c2=O)cc1OCC 169920592 QNNHRVOVEYFNPI-YSMPRRRNSA-N 453.926 4.111 50 10 JIGE C[C@@H]1CN(C(=O)c2cc(Br)ccc2I)CC[C@@H]1Br 235353727 SORYHHIXALGEAX-KCJUWKMLSA-N 486.973 4.299 50 10 JIGE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(C(=O)O)cc2)cc1 252633284 WBMKKEJCMLVKLI-RGNUTHIZSA-N 484.556 4.152 50 10 JIGE CCn1c(C)nc2cc(C(=O)NN=Cc3c(C)c(C(=O)c4ccncc4)n4ccccc34)ccc21 254411526 FTZJATJGBXNWCL-UHFFFAOYSA-N 464.529 4.316 50 10 JIGE COc1ccccc1N(CC(=O)NN=Cc1ccc2c3c(cccc13)CC2)S(=O)(=O)c1ccccc1 254557423 XGRMWRVLJSEWFF-UHFFFAOYSA-N 499.592 4.293 50 10 JIGE O=C(Oc1ccccc1C=NNC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccc2c(c1)OCO2 254756881 MGPYFIUHASZJTO-UHFFFAOYSA-N 494.503 4.021 50 10 JIGE O=C(N[C@@H]1CCC[C@@H](Br)C1)c1cc(Br)ccc1I 694518644 WSWOANQCIAAXAK-PSASIEDQSA-N 486.973 4.490 50 10 JIGE COc1ccc(-c2nn(CCC#N)cc2/C=C(\C#N)C(=O)OCc2ccc(C#N)cc2)cc1OC 765866805 UUMMZJWZTYGZAX-CIAFOILYSA-N 467.485 4.003 50 10 JIGE C=CCN(c1ccc(C(=O)NN=C(C)c2ccc([N+](=O)[O-])cc2)cc1)S(=O)(=O)c1ccccc1 1083953854 XZPZDBJEOXEQMI-UHFFFAOYSA-N 478.530 4.130 50 10 JIGE C=CCOc1cccnc1C(=O)NNc1nc2ccccc2c(=O)n1-c1ccc(C(C)C)cc1 1465161832 BMDYGUQNYNJHPY-UHFFFAOYSA-N 455.518 4.226 50 10 JIGE CC(C)c1nc2c(Cl)cc(C(F)(F)F)cn2c1/C=N\NC(=O)c1ccccc1S(C)(=O)=O 1865761696 QURSWMBETDYPCJ-MWYAZZEHSA-N 486.903 4.297 50 10 JIGE CCCC[C@H](NC(=O)c1cc(-c2ccc(OC)cc2)nc(O)n1)C(=O)Nc1ccc(SC#N)cc1 1866621531 BPQSSUGQWCWIMJ-FQEVSTJZSA-N 491.573 4.358 50 10 JIGE C[C@@H](Br)[C@@H](NC(=O)c1ccc(I)c(Cl)c1)C(F)(F)F 1882652937 RQMQGGBDLCOGMM-MLUIRONXSA-N 470.454 4.389 50 10 JIGE O=C(N[C@H](CBr)C[C@H]1CCCO1)c1cc(Br)ccc1Br 1926740375 KGYDQBCFBZWVKM-WDEREUQCSA-N 469.999 4.274 50 10 JIGE CN(CC(F)(F)CBr)C(=O)c1scc(Br)c1Br 1945721705 RRKKWLISHVWYER-UHFFFAOYSA-N 455.944 4.375 50 10 JIGE BrC[C@]12CCC[C@@H]1CN(c1ncc(I)cc1Br)C2 2069535420 HKSKFASQHNDTPG-RNCFNFMXSA-N 485.989 4.450 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@@H]2[C@@H](CBr)C[C@H]2C1 2117681437 LRGXAEXXFBHVLY-VDDIYKPWSA-N 498.984 4.157 50 10 JIGE Cc1csc(CBr)c1S(=O)(=O)N(C)C1CCN(Cc2ccccc2)CC1 2123231200 AYLPOLCRRGKKKG-UHFFFAOYSA-N 457.459 4.237 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CC[C@@H](CBr)C12CC2 2142279267 NWZHOWCLXLRHQQ-VIFPVBQESA-N 498.984 4.443 50 10 JIGE CC[C@@]1(NS(=O)(=O)c2ccc(CCl)cc2)CCCN(C(=O)OCc2ccccc2)C1 2162588847 KNNZMGVATMTNMR-JOCHJYFZSA-N 450.988 4.285 50 10 JIGE Cc1oc(CBr)cc1S(=O)(=O)N(C)C[C@H]1CCCCN1Cc1ccccc1 2179813601 VNKLMBFOIGMTGI-GOSISDBHSA-N 455.418 4.158 50 10 JIGE CS(=O)(=O)[C@H]1C[C@H](COc2c(Br)cc(CBr)cc2Br)C1 2285315343 ZQHGNBXIMYKCHA-MGCOHNPYSA-N 491.039 4.309 50 10 JIGE O=C(c1cc(Br)sc1Br)N1C[C@@H]2CC[C@H](CBr)O[C@H]2C1 2289185146 DZPHUWMXLBCSJL-XKSSXDPKSA-N 488.039 4.288 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1CCS[C@H](CCBr)C1 2340058559 RRRWKDJVSGBZPN-SNVBAGLBSA-N 474.589 4.287 50 10 JIGE O=C(N[C@H](CCBr)COCc1ccccc1)c1cc(Br)cc([N+](=O)[O-])c1 2343415765 HSOMJDKMWMUGPR-MRXNPFEDSA-N 486.160 4.458 50 10 JIGE Cc1ccc(O[C@@H](C)C(=O)NNC(=O)[C@H](C)Oc2c(C)cc(Br)cc2C)cc1C 10153127 XAJPRYWXIMEDTJ-IRXDYDNUSA-N 463.372 4.065 50 10 JIGE COc1ccc(/C(C)=N\NC(=O)COc2c(C)cc(Br)cc2Br)cc1 12483503 FATORZGGEUOLNV-MTJSOVHGSA-N 470.161 4.448 50 10 JIGE CCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccccc1[C@H](C)CC 14032341 YBXHQIVDJGTOGS-QGZVFWFLSA-N 457.596 4.094 50 10 JIGE C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NNC(=O)COc1ccc(Cl)cc1Br 14665944 TUVMRPHIGTUTHV-CYBMUJFWSA-N 483.790 4.394 50 10 JIGE COc1ccccc1/C(C#N)=C\c1cccc(OC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c1 31902701 WNRFKCXNEOJAGO-HKWRFOASSA-N 462.527 4.229 50 10 JIGE O=C(NNc1ncnc(N2CCc3ccccc3C2)c1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 40647676 VVLKPXKKWCOLIZ-UHFFFAOYSA-N 480.528 4.223 50 10 JIGE CCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc3cc(C(=O)N[C@H](C)CC)c(=O)oc3c2)cc1 206544363 MUFOAPLLWYBFCT-BKAYVGFPSA-N 460.486 4.233 50 10 JIGE CC(C)CC(=O)N[C@H](Oc1ccc(C=NNC(=O)c2ccncc2)cc1)C(Cl)(Cl)Cl 254758850 HAWYHONAHSTGNN-LJQANCHMSA-N 471.772 4.083 50 10 JIGE O=C(C1CC1)[C@@H](Br)Cc1ccc(I)cc1Br 300917650 VSYGHUVZOZQLDF-NSHDSACASA-N 457.931 4.339 50 10 JIGE CC[C@H]1CN(C(=O)c2cc(Br)ccc2I)C[C@H]1Br 399967689 HGRCQRABJZHCJP-GZMMTYOYSA-N 486.973 4.299 50 10 JIGE CN(CC1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1cc(CCl)oc1Br 720025127 JJDYKTXOEULZAS-UHFFFAOYSA-N 475.836 4.314 50 10 JIGE Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NC3CCN(C(=O)CC(F)(F)F)CC3)c2C)cc1 726948614 OGPUYZRJQDCYOS-MOSHPQCFSA-N 472.511 4.369 50 10 JIGE C[C@H](OC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1)C(=O)NCc1cccs1 729618488 BRTVVOOLVSVOGV-JIHKLPAASA-N 493.976 4.334 50 10 JIGE COc1cc(C(=O)Nc2ccccc2C(=O)NN=Cc2ccc(Cl)cc2)cc(OC)c1OC 1083986115 FKKMQMYLRSKSBK-UHFFFAOYSA-N 467.909 4.382 50 10 JIGE Cc1ccc(C(=O)NN=Cc2c(C)nn(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2C)cc1Cl 1084139644 PNPCRMDKXXFRIE-UHFFFAOYSA-N 456.846 4.031 50 10 JIGE C=CCOc1ccc(/C=C/C(=O)NNC(=O)[C@H](C)Oc2c(C)cc(Cl)cc2C)cc1OC 1623892171 XKMXCMBGGFGQPK-VMSUTVGLSA-N 458.942 4.158 50 10 JIGE C=CCOc1ccc(Br)cc1NC(=O)NNC(=O)c1cccc(OC(F)F)c1 1678356375 SSIJLJGOASSULE-UHFFFAOYSA-N 456.243 4.082 50 10 JIGE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(OC)cc1OC)C(C#N)=C(N)O2 1865707902 IXSYAEPZSGEOTB-NRFANRHFSA-N 450.926 4.383 50 10 JIGE CSCC[C@H](NC(=O)c1nc(C(F)(F)F)n2ccccc12)C(=O)Nc1ccc(SC#N)cc1 1867289286 VWCWTVRGCXAFBZ-HNNXBMFYSA-N 493.536 4.416 50 10 JIGE CC(C)(C)OC(=O)N1CCC(CBr)(OCCOCCOCc2ccccc2)CC1 1910528515 BTWJATGDZDJPQU-UHFFFAOYSA-N 472.420 4.401 50 10 JIGE CCN([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(Br)c(CCl)c1 1915018499 JWYXOJYCGAOZNX-SFHVURJKSA-N 471.848 4.473 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N[C@H](CCBr)C(F)F)cc1Br 1918539772 ZJIDUAUQZFACLO-SECBINFHSA-N 499.997 4.217 50 10 JIGE O=C(c1scc(Br)c1Br)N1C[C@H](Br)C[C@]2(CCCO2)C1 1924217011 DIIXYGGOCSSSAC-AMIZOPFISA-N 488.039 4.432 50 10 JIGE O=C(N[C@@H](CBr)C[C@H]1CCCO1)c1cc(Cl)ccc1I 1926731742 HNPLAAJCEZRWJE-GHMZBOCLSA-N 472.548 4.007 50 10 JIGE CCc1cc(I)c(I)cc1C(=O)CBr 2060148509 HIZVVWYSCFEIAC-UHFFFAOYSA-N 478.893 4.036 50 10 JIGE CC1(C)CC[C@H](Br)CN1S(=O)(=O)c1cc(Cl)c(Br)s1 2099884449 GOXYHCDQLTWLTE-ZETCQYMHSA-N 451.633 4.491 50 10 JIGE CC1(C)CO[C@H](CBr)CN1C(=O)c1cc(Br)c(Br)s1 2111234595 SNGPPBRBLWVRLU-SSDOTTSWSA-N 476.028 4.288 50 10 JIGE C[C@H]1[C@@H](C)N(S(=O)(=O)c2csc(CBr)c2)C[C@@H](C)N1Cc1ccccc1 2123225708 SFONJPOOXKSGNF-OWCLPIDISA-N 457.459 4.315 50 10 JIGE COc1cc(F)c([C@H](Cl)c2cnn(C)c2I)cc1Br 2138146806 SGCBFWGERSCAPI-NSHDSACASA-N 459.484 4.263 50 10 JIGE O=C(N[C@@H]1C(F)(F)C12CC(NC(=O)[C@@H](Br)C1CCCC1)C2)OCc1ccccc1 2142152363 JTCWHPFHEWRVNQ-OUBFZGACSA-N 471.342 4.149 50 10 JIGE O=S(=O)(c1cc(CCl)ccc1Br)N1CCCN(Cc2ccccc2)CCC1 2152583977 MOVFJRYBCNBNLU-UHFFFAOYSA-N 471.848 4.475 50 10 JIGE O=C(c1cccc(F)c1I)N1[C@H]2CCC[C@H](Br)[C@H]1CC2 2154104164 NWBIZXRGNXVTEQ-XHVZSJERSA-N 452.105 4.351 50 10 JIGE FC(F)(F)c1cnc(N2CC3(CC3)C[C@@H]2CBr)c(I)c1 2155365220 KZROEBFATGCFHK-SECBINFHSA-N 461.063 4.459 50 10 JIGE CC1(C)[C@@H](CBr)OCCN1C(=O)c1cccc(Br)c1Br 2159639443 MCQRKJUKBZGXPU-LLVKDONJSA-N 469.999 4.226 50 10 JIGE CN([C@@H](CCBr)C(F)F)S(=O)(=O)c1c(Cl)cccc1Br 2178519614 BQXGTBBBENCGST-VIFPVBQESA-N 455.546 4.142 50 10 JIGE O=C(Cc1ccccc1I)NCC[C@@H]1CCCC[C@@H]1Br 2179630140 RZXJGQLDLULCAI-JSGCOSHPSA-N 450.158 4.294 50 10 JIGE C[C@H]1Cc2cc(Br)cc([C@H](Br)c3nn(C)nc3Br)c2O1 2235266742 WLEWDRBEDRYANO-WKEGUHRASA-N 465.971 4.148 50 10 JIGE Cn1nc(Br)c([C@H](Br)c2cc(Br)c3c(c2)CCCO3)n1 2235269942 QBNZLTGOMKEYCI-SNVBAGLBSA-N 465.971 4.149 50 10 JIGE COc1cc(C=C(C#N)C2=NN(c3ccccc3)[C@H](N)[C@H]2C#N)ccc1OCc1cccc(C(=O)O)c1 2313564942 HLJFPZDMRNVKAB-HOFKKMOUSA-N 493.523 4.180 50 10 JIGE COC(=O)c1ccc(C(=O)OC)c(NC=C(C#N)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 2325383008 CCEFAZLVSCWASV-UHFFFAOYSA-N 481.814 4.390 50 10 JIGE O=S(=O)(Nc1ccc(Cl)c(Br)c1Cl)N1CCC(Br)CC1 2362127917 RNUYOTPQVTXIJE-UHFFFAOYSA-N 467.010 4.272 50 10 JIGE Cn1nc(Br)c(-n2c(CCl)nc3cc(Br)c(Br)cc32)n1 2369016342 WSXSIXZJGZHFNH-UHFFFAOYSA-N 484.377 4.180 50 10 JIGE CCOc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1Br 14770348 QARWTCGRLGOHRR-SNVBAGLBSA-N 476.154 4.383 50 10 JIGE Cc1c(C(=O)N(C)C2CCN(C)CC2)oc2c1/C(=N/NC(=O)c1cccc3ccccc13)CCC2 40813520 XXQDFHCSEGKTDH-BYNJWEBRSA-N 472.589 4.378 50 10 JIGE CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cc1 40865297 DIFIDXYJDXIMLI-FOWTUZBSSA-N 455.561 4.424 50 10 JIGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1C 40935870 MJBBNHASWWWNOT-LDADJPATSA-N 475.457 4.338 50 10 JIGE CCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)C1=O 101332776 SFWAOSKLBPNQBC-HYARGMPZSA-N 480.524 4.313 50 10 JIGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3cccc(OC)c3)n2-c2ccccc2)cc1 254387278 QXDSHASZABYQBS-UHFFFAOYSA-N 473.558 4.194 50 10 JIGE O=C(CCCCCCCCCCC(=O)NN=Cc1ccc(O)cc1O)NN=Cc1ccc(O)cc1O 254761614 SCJMZAXIBWAHPC-UHFFFAOYSA-N 498.580 4.010 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N[C@@H](C)C2(CBr)CC2)cc1Br 696078907 IIKMCCLVMGCXMS-VIFPVBQESA-N 490.055 4.362 50 10 JIGE CC[C@H](C[C@H](C)Br)NS(=O)(=O)c1cc(Br)ccc1Br 716937878 YBEBQNKHVUWTSI-WCBMZHEXSA-N 478.044 4.442 50 10 JIGE O=C(c1ccc(F)cc1I)N1CC[C@H]2CC[C@H](Br)[C@H]1C2 721564725 KOLVOESMDZJAHD-LJWDBELGSA-N 452.105 4.208 50 10 JIGE COc1ccccc1[C@H](CNC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1)N1CCCC1 914846910 AGNRHFZXERCNPQ-GRVBVBMHSA-N 494.599 4.333 50 10 JIGE C=CCOc1ccc(CNC(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 1478614944 HANQARINWPZUKK-UHFFFAOYSA-N 452.338 4.248 50 10 JIGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(F)c2)cc(Br)c1O 1865688430 RWLQJADBWLZBLN-FQEVSTJZSA-N 499.340 4.464 50 10 JIGE Cc1ccc(/C=C(\C#N)C(=O)Nc2nc3ccc(S(=O)(=O)NCC(C)C)cc3s2)cc1 1866127337 YSKMORQVGAZWFP-LICLKQGHSA-N 454.577 4.085 50 10 JIGE CC[C@H](NC(=O)Cc1nc(-c2ccccc2OC)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866672094 DUIDVCXGNGDKMC-IBGZPJMESA-N 464.547 4.308 50 10 JIGE CC(C)[C@H](CBr)CN(Cc1ccccc1)CC1(O)CN(C(=O)OC(C)(C)C)C1 1955942605 ASGLSZCGPNXPEF-LJQANCHMSA-N 455.437 4.138 50 10 JIGE CN(C)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(CBr)c(Br)c1 2059388318 MFQDGDAOPQIQLW-UHFFFAOYSA-N 490.261 4.097 50 10 JIGE O=C(CBr)c1c(I)ccc(I)c1Cl 2060101316 ZSSQRCCWXDMYLB-UHFFFAOYSA-N 485.284 4.127 50 10 JIGE CCc1cc(I)cc(I)c1CBr 2060225808 LQWZYMVOLZXRAP-UHFFFAOYSA-N 450.883 4.353 50 10 JIGE COc1ccc(-n2nc(CBr)c(I)c2C(F)(F)F)c(O)c1 2079261014 UOCCDHMXOHVNAZ-UHFFFAOYSA-N 477.018 4.105 50 10 JIGE O=C(c1ccc(Br)cc1I)N(CCBr)CC(F)F 2086147598 PACRTMCGUOFZOF-UHFFFAOYSA-N 496.915 4.156 50 10 JIGE Cn1nnc(Br)c1C[C@@H](CBr)Cc1cccc(Br)c1 2089733936 ASJUUDJDUIQKJL-JTQLQIEISA-N 451.988 4.136 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CCC12CC(CCl)C2 2104540235 JGBVYFRPBFOYDI-UHFFFAOYSA-N 454.533 4.287 50 10 JIGE CC[C@@H]1CN(C(=O)c2cc(I)ccc2Br)C[C@@H]1CCl 2140769905 XYWVBWDQPMOCPL-ZJUUUORDSA-N 456.549 4.391 50 10 JIGE C#CCOc1ccc(Br)cc1CNCCSSCCNC(=O)OC(C)(C)C 2181748351 UJKMSSLMMCZFSF-UHFFFAOYSA-N 475.474 4.457 50 10 JIGE CC1(C)CCCN(C(=O)c2ccc(I)c(O)c2)[C@H]1CBr 2185805181 CUPHZHDRXWDQHD-ZDUSSCGKSA-N 452.130 4.023 50 10 JIGE CCC[C@@H]1CN(C(=O)c2cc(I)ccc2F)C[C@@H]1CBr 2205701977 HTFBJAZPQDVVQX-MNOVXSKESA-N 454.121 4.314 50 10 JIGE COc1cc(C=C(C#N)c2ccccc2)ccc1OC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O 2314720418 NNNOBDZHLUEOCR-QGZVFWFLSA-N 452.466 4.349 50 10 JIGE CCOc1ccc(C=NNC(=O)c2cccn(Cc3ccc(Cl)cc3)c2=O)cc1OCC 2323647864 ZQFMDUVURBFUHH-UHFFFAOYSA-N 453.926 4.111 50 10 JIGE C[C@@H](CBr)CC1CN(C(=O)c2ccc(Cl)cc2I)C1 2340061430 NWMGYGVQEQHJFX-SECBINFHSA-N 456.549 4.438 50 10 JIGE CS[C@H]1CN(S(=O)(=O)c2cc(CBr)sc2Br)C(C)(C)C1 2360510498 JVUWPYLKDDSIPR-SECBINFHSA-N 463.282 4.310 50 10 JIGE CN(C(=O)c1c(Br)c(Br)nn1C)[C@@H]1CCCCC[C@@H]1Br 2364230142 IQEVEXURJJBHMO-DTWKUNHWSA-N 472.019 4.113 50 10 JIGE COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1O 2931277 KHDJNBKFORFENI-IZZDOVSWSA-N 454.651 4.204 50 10 JIGE CCCOC(=O)c1ccc(OCC(=O)NNC(=O)[C@@H](CC)Oc2ccccc2[C@H](C)CC)cc1 10683814 AOLVJCRBJCVJSE-XMSQKQJNSA-N 470.566 4.151 50 10 JIGE COc1ccc(Br)cc1/C=N/NC(=O)[C@H](C)Oc1ccccc1Br 20311287 CKEMNMLGVLQOKM-KKBVUKDESA-N 456.134 4.138 50 10 JIGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc32)c1OC 38658792 KHEIRPWIRIISSR-QFIPXVFZSA-N 473.441 4.049 50 10 JIGE C[C@@H](Br)CCCNC(=O)c1cc(I)ccc1Br 227723345 RFYWVMJDFQEFGO-MRVPVSSYSA-N 474.962 4.347 50 10 JIGE CC(C)(CCBr)NC(=O)c1cc(I)ccc1Br 232520096 QGSYQBAJEVNFNG-UHFFFAOYSA-N 474.962 4.347 50 10 JIGE CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(Br)cc2)cc1 252622219 NQXDHPUHJYXCDF-WCYATWDFSA-N 491.389 4.436 50 10 JIGE COc1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)c(N)c1 394501513 BGUBMKQGUROOCZ-QAPCUYQASA-N 466.319 4.065 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N(CCBr)CC2CC2)cc1Br 688388688 HBIQXTFOWKIWNS-UHFFFAOYSA-N 490.055 4.316 50 10 JIGE Cc1ccc(C)n1-c1cccc(C(=O)NN=Cc2cc(Br)c(N3CCOCC3)o2)c1 1084241038 LUPBDNBVVKHBLP-UHFFFAOYSA-N 471.355 4.050 50 10 JIGE CCOC(=O)c1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccccc1)CCC2 1772745049 QMFMVIBASVBTSU-UHFFFAOYSA-N 459.502 4.487 50 10 JIGE C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)N/N=C/c4ccc(Br)cc4F)c(=O)c23)C1 1860774197 QQCCSIOIAKCWHX-PWNZSMLCSA-N 491.386 4.196 50 10 JIGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cc(C)ccc2C)cc1O 1865682165 HRTFHBVAOPVCKR-LJQANCHMSA-N 470.451 4.499 50 10 JIGE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1cc(OC)ccc1OC)C(C#N)=C(N)O2 1865693485 WGYJNNQTPFYKDL-NRFANRHFSA-N 450.926 4.383 50 10 JIGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc(Cl)c2)cc(OC)c1O 1865715138 XAQVTZXBVIOOKU-INIZCTEOSA-N 492.841 4.485 50 10 JIGE Brc1cnc(N2C[C@@H](Br)C[C@]3(CCCO3)C2)c(Br)c1 1924293920 GEBMGYSMFMLSEU-GXFFZTMASA-N 454.988 4.129 50 10 JIGE C[C@]1(NC(=O)c2cc(Br)ccc2I)CCC[C@H]1Br 2062574075 PCVGMAKPWUVZOU-YPMHNXCESA-N 486.973 4.490 50 10 JIGE O=C(c1cc(Br)cc(Br)c1)N1CC[C@H]2[C@H](C1)[C@@H]2CBr 2093136967 GPNOWVBZTFOHMS-UPJWGTAASA-N 451.984 4.315 50 10 JIGE O=C(NC[C@]1(F)C[C@@H](CCl)C1)c1ccc(Br)cc1I 2142289458 ZRXFYFJBQKVBFS-KTLJEJPDSA-N 460.512 4.141 50 10 JIGE Cc1cccc(C(=O)N2CC[C@@H](Br)C(F)(F)CC2)c1I 2150018099 GFXHLSAXIIHWEJ-LLVKDONJSA-N 458.084 4.234 50 10 JIGE CC1(C)CN(Cc2ccccc2)CCN1S(=O)(=O)c1ccc(CCl)cc1Br 2159737554 OEKYXQIOFRRMGR-UHFFFAOYSA-N 471.848 4.473 50 10 JIGE C[C@H]1CCC(F)(F)CN1S(=O)(=O)c1cc(CBr)sc1Br 2179773918 AHGBINIAHWMNBK-ZETCQYMHSA-N 453.168 4.214 50 10 JIGE C[C@]12CN(Cc3ccccc3)C[C@]1(C)CN(S(=O)(=O)c1ccsc1CBr)C2 2179868071 FHPDMDQHHFOIGG-WOJBJXKFSA-N 469.470 4.176 50 10 JIGE COCC(CCO[C@@H](CI)c1ccc(Br)cc1)COC 2187430907 RHKJJKULVWNWHV-HNNXBMFYSA-N 457.146 4.241 50 10 JIGE C[C@@](CBr)(NC(=O)c1ccc(Cl)c(I)c1)C(F)F 2256387360 HBLBJZUGBSXLLP-NSHDSACASA-N 452.464 4.093 50 10 JIGE O=S1(=O)CC[C@H]1[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2260082698 GQFMNMQMJYNWIQ-XPUUQOCRSA-N 468.939 4.113 50 10 JIGE N#CC(=Cc1c(Oc2ccccc2Cl)nc2ccccn2c1=O)S(=O)(=O)c1ccccc1 2297468198 GFQMBGDVXCHSPC-UHFFFAOYSA-N 463.902 4.479 50 10 JIGE COCCn1nc(Br)nc1N(Cc1ccccc1)[C@@H](CBr)C(C)C 2307993676 RTAYQNAEBSQULX-HNNXBMFYSA-N 460.214 4.113 50 10 JIGE COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)C2=C(C)NNC(=O)c2cccs2)cc1 2313683058 QOSHTEICODPKPR-UHFFFAOYSA-N 489.582 4.326 50 10 JIGE COc1cccc2cc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)N3CCOCC3)oc12 2314450881 ZUFNMKUVPBHOCO-UHFFFAOYSA-N 454.486 4.060 50 10 JIGE COCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C(C)=C(C#N)C1=O 2314618647 QYGHUVNTLJIVML-UHFFFAOYSA-N 497.511 4.076 50 10 JIGE C[C@@H]1[C@@H](Br)CCN(S(=O)(=O)c2cc(Cl)c(Br)s2)[C@H]1C 2344523110 JQABYHSBLSHMSM-FXQIFTODSA-N 451.633 4.347 50 10 JIGE CC[C@H](Br)[C@@H]1CCCCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364207243 ZQNNPPIPRLTAAM-PMACEKPBSA-N 499.471 4.201 50 10 JIGE Clc1cc(CN2CCCN(CCCBr)CC2)ccc1I 2366623621 DQPINPYRVZEJNE-UHFFFAOYSA-N 471.608 4.237 50 10 JIGE O=C(c1ccccc1I)N1CCC[C@@H](Br)[C@@H]1C(F)(F)F 2370243921 WERGNRLKWCHLPB-MWLCHTKSSA-N 462.047 4.222 50 10 JIGE Cc1ccc(NC(=O)CCC(=O)NNC(=O)c2cccc(OCCc3ccccc3)c2)c(C)c1 10331143 SCFLSHGCWGKRLP-UHFFFAOYSA-N 459.546 4.105 50 10 JIGE O=C(COc1ccc2cc(Br)ccc2c1Br)N/N=C/c1ccc(O)cc1O 12491243 INOGSCMPBUYPTF-LSFURLLWSA-N 494.139 4.305 50 10 JIGE CC(C)(C)c1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2)cc1Br 13977058 NCZGJKXRPFSRMD-UHFFFAOYSA-N 498.830 4.115 50 10 JIGE CC(C)c1ccc(OCC(=O)NNC(=O)COc2ccc3ccccc3c2Br)cc1 13981033 NDUHLKKZYSCUKD-UHFFFAOYSA-N 471.351 4.331 50 10 JIGE CCCCOc1ccccc1C(=O)NC(=S)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 14032376 ZUNCSJODXGUAMP-CYBMUJFWSA-N 484.405 4.275 50 10 JIGE COc1cc(/C=N/NC(=O)CCC(=O)Nc2ccc3ccccc3c2)cc(Br)c1OC 20228203 NJDVFILTYWODGM-AFUMVMLFSA-N 484.350 4.489 50 10 JIGE COc1ccc(Cl)cc1Nc1ncnc(NNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1[N+](=O)[O-] 40589730 JXQDBIUMHJHLBP-UHFFFAOYSA-N 494.251 4.109 50 10 JIGE CC(C)CN(CC(C)C)c1ncnc(NNC(=O)COc2ccc(Cl)cc2Cl)c1[N+](=O)[O-] 40613957 BQTCPZMXACIIQQ-UHFFFAOYSA-N 485.372 4.332 50 10 JIGE Cc1c(C(=O)N2c3ccccc3C[C@H]2C)oc2c1/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 40814568 AEBFSJSZJBRAFD-PNUGVWHFSA-N 486.528 4.487 50 10 JIGE COC[C@H](C)NC(=O)c1oc2c(c1C)/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 40815393 CYDSWYPXHMFDES-HSPZSSDGSA-N 473.573 4.341 50 10 JIGE C#CCOc1c(Cl)cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1OCC 58894946 ZLRVXXQSEZJIOY-SZJFIWSWSA-N 458.942 4.113 50 10 JIGE CC(/C=C(\NC(=O)c1ccccc1)C(=O)NN=Cc1ccc2c(c1)OCO2)=C\c1ccccc1 252626156 QXQXBDNAEQKYTE-ZFXGURLJSA-N 453.498 4.283 50 10 JIGE COc1cc(Br)c([C@H](Br)c2nn(C)cc2Br)cc1OC 693042579 FFWKPCLGZYAJNH-LBPRGKRZSA-N 468.971 4.447 50 10 JIGE C[C@@H](COCc1ccccc1)CC(CBr)(CBr)[C@H]1CCS(=O)(=O)C1 719435637 BTHYFBHPPHQNBP-WBVHZDCISA-N 482.278 4.440 50 10 JIGE C[C@H](Br)[C@H]1CCN(C(=O)c2cc(I)ccc2Br)C1 719919896 TZHAUGFMEZHBKV-IUCAKERBSA-N 486.973 4.299 50 10 JIGE COc1ccc(-c2nn(CCC#N)cc2/C=C(/C#N)C(=O)N[C@H](C)c2nc(C)cs2)cc1OC 727678223 LZYHMAUGMCVJAK-LTKMBJGESA-N 476.562 4.030 50 10 JIGE N#CCCn1cc(/C=C(/C#N)C(=O)NNC(=O)c2c(Cl)cccc2Cl)c(-c2ccccc2)n1 727804404 BAFDVYWFXJGPKL-VBKFSLOCSA-N 479.327 4.139 50 10 JIGE C[C@@H](NC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1)c1ccc2c(c1)CCC(=O)N2 918595947 IBJZVVMZXVBLOD-GNFOSXPUSA-N 464.529 4.133 50 10 JIGE C[C@@H](SCc1ccccc1)C(=O)NN=C1C(=O)N(Cc2cccc([N+](=O)[O-])c2)c2ccccc21 1084044275 RLBOVXDOXPEIKH-QGZVFWFLSA-N 474.542 4.284 50 10 JIGE C#Cc1cccc(NC(=S)NNC(=O)/C(C#N)=C/c2cc(C)n(-c3ccccc3C)c2C)c1 1651317204 BGFYISFTERKJJV-PXLXIMEGSA-N 453.571 4.309 50 10 JIGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3CC(C)C)cc(Br)c1O 1865687829 BCYKRDQITZAZNC-QGZVFWFLSA-N 461.360 4.186 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Br)cc2)[C@H]1c1ccccn1 1865700241 NSOBQFYFCMXGCU-CQSZACIVSA-N 462.229 4.267 50 10 JIGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(C)cc2)c1OC 1865700654 AJDVEVUATXLGAR-KRWDZBQOSA-N 456.424 4.435 50 10 JIGE Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(C(=O)O)cc2)cc1 1865708998 KYPZIJZRCKWWQZ-KRWDZBQOSA-N 454.408 4.175 50 10 JIGE Cc1ccc(-c2csc3ncn(CC(=O)NNC(=O)CCCc4ccc(C)cc4C)c(=O)c23)cc1 1865844846 AFYUQCUABJGQNV-UHFFFAOYSA-N 488.613 4.221 50 10 JIGE C[C@H](NC(=O)C[C@@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)Nc1ccc(SC#N)cc1 1866720019 IMNUVKPEYUAUNK-MGPUTAFESA-N 451.548 4.058 50 10 JIGE O=C(c1ccc(Br)cc1Br)N1C[C@@H](Br)[C@H](Br)C1 1910007552 UYKWNNXBBOBFHF-NXEZZACHSA-N 490.815 4.194 50 10 JIGE CCN(C[C@](C)(CI)OC[C@H](C)N(CC)CC)C(=O)OC(C)(C)C 2007011402 RFEGVXYOVHQSPA-YJBOKZPZSA-N 456.409 4.184 50 10 JIGE COCCN1C[C@@H](Br)[C@@H](Cc2ccc(Br)cc2Br)C1 2100729815 GOKOIOMHTYJSPN-SMDDNHRTSA-N 456.016 4.096 50 10 JIGE BrC[C@H]1CN(c2ncc(Br)cc2Br)CC2(CCC2)O1 2109478809 NMWAXHWACFSJFF-JTQLQIEISA-N 454.988 4.129 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CC[C@@H](Cl)[C@H]1C1CC1 2130607798 PIOPKXDHWYOVIT-DGCLKSJQSA-N 454.533 4.286 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CC[C@H](Cl)[C@@H]2CC[C@H]21 2133722795 LIVDWNHFFPBDMN-XHVZSJERSA-N 454.533 4.286 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@@H]2CC[C@@]2(CBr)C1 2142283476 QJTQPTQVKWEDNR-LKFCYVNXSA-N 498.984 4.301 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1CC[C@@H](Br)C2(CC2)C1 2149572772 BWHZVMRALGRMRA-GFCCVEGCSA-N 488.039 4.150 50 10 JIGE CC1(C)C[C@H](Br)CCN(C(=O)c2cc(I)ccc2F)C1 2169669151 XZXTTWZNHOQHTQ-SNVBAGLBSA-N 454.121 4.456 50 10 JIGE CCC[C@@H](Br)c1cn(-c2ccc(I)cc2[N+](=O)[O-])nn1 2177554495 UNGBVNFOZMOHSC-SECBINFHSA-N 451.062 4.016 50 10 JIGE CCN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(CBr)cc1C 2179774769 HLKTUDSBHYYWDA-HXUWFJFHSA-N 451.430 4.175 50 10 JIGE C[C@H]1[C@@H](C)N(S(=O)(=O)c2ccccc2CBr)C[C@@H](C)N1Cc1ccccc1 2179824311 TTZWGFWODOTKDO-FGTMMUONSA-N 451.430 4.254 50 10 JIGE O=S(=O)(c1cc(F)c(Cl)c(CBr)c1)N1C[C@H]2C[C@H]1CN2Cc1ccccc1 2179862277 UBJTWGHRADLHIW-CVEARBPZSA-N 473.795 4.021 50 10 JIGE O=S(=O)(c1ccsc1CBr)N1CCC[C@@H]1[C@@H]1CCN(Cc2ccccc2)C1 2179868836 PMJYKSUTRRATBA-QZTJIDSGSA-N 469.470 4.318 50 10 JIGE CCC[C@@H]1CN(C(=O)Cc2ccccc2I)C[C@@H]1CBr 2205684128 QIGLKPDHKKRCDO-KGLIPLIRSA-N 450.158 4.103 50 10 JIGE Cn1nc(Br)c(CC(CBr)(CBr)C2CCCCC2)n1 2226994655 JVQTWPIKCMPECI-UHFFFAOYSA-N 458.036 4.477 50 10 JIGE Cn1cc([C@@H](Br)c2ccc3c(c2Br)CCO3)nc1Br 2229751665 IQXVANUXTSCWTR-LBPRGKRZSA-N 450.956 4.364 50 10 JIGE N#CC(=C(O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1nc(-c2ccccc2Cl)cs1 2331271249 BDTVLVAYSZVMDY-UHFFFAOYSA-N 466.862 4.461 50 10 JIGE O=C(N[C@@H]1CC[C@@H]2C[C@]21CBr)c1ccc(Cl)cc1I 2340056107 CHKGIFFCGMPZNZ-RGZBUGHASA-N 454.533 4.238 50 10 JIGE Cc1cc(I)ccc1NCC(=O)N/N=C/c1ccc(Cl)cc1Cl 1959768 YHYDXAYNKVOOJL-ODCIPOBUSA-N 462.118 4.469 50 10 JIGE O=C(CCl)N1CCN(c2nc(CCc3ccccc3)nc3sc4c(c23)CCCC4)CC1 35849121 KOVYXGZNHNWECX-UHFFFAOYSA-N 455.027 4.243 50 10 JIGE CCOc1ccc(Nc2ncnc(NNC(=O)COc3ccc(Cl)cc3Cl)c2N)cc1 40782691 CHWSJEKHLTUMJS-UHFFFAOYSA-N 463.325 4.030 50 10 JIGE CCCN(CCC)c1ccc(C(=O)N/N=C2\C(=O)N(C)c3ccc(Br)cc32)cc1 59155244 GOYXJNFREIHDQK-GFMRDNFCSA-N 457.372 4.186 50 10 JIGE C=CCNC(=O)/C(C#N)=C1\S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccc(OCC)cc1 101241805 ICSLULFMQOADTM-AZJLSSPBSA-N 467.978 4.467 50 10 JIGE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2cccc([N+](=O)[O-])c2)cc1 252623582 OUSYJRIFYOBPFF-RRHNVJNFSA-N 485.544 4.362 50 10 JIGE COc1ccc(C=NNC(=O)COc2ccc(C)cc2Br)cc1Br 252625306 QHGIMIYOVMYPAH-UHFFFAOYSA-N 456.134 4.058 50 10 JIGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)NN=Cc1cc(Cl)ccc1O 254401828 XRRPBRLYRJUZCD-UHFFFAOYSA-N 491.404 4.331 50 10 JIGE C[C@H]1CCN(S(=O)(=O)c2cc(Cl)c(Br)s2)C[C@@H]1CBr 703990344 VRWOOSBSUZOPOO-YUMQZZPRSA-N 451.633 4.206 50 10 JIGE C[C@H](CCBr)CNC(=O)c1ccc(I)c(Br)c1 721593607 KYCULWOSHDYNTP-MRVPVSSYSA-N 474.962 4.205 50 10 JIGE Cc1nccn1-c1ccc(CNC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)cn1 918661244 DXZLFCYKJHAENU-FYJGNVAPSA-N 496.962 4.230 50 10 JIGE CC(=O)c1ccc2c(c1)N(Oc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1F)C(=O)[C@@H](C)O2 1858694730 LAWLVBCDTUIXLA-CYBMUJFWSA-N 496.407 4.050 50 10 JIGE CCCC[C@H](NC(=O)c1cc(C2CC2)n2nc(C)cc2n1)C(=O)Nc1ccc(SC#N)cc1 1867169288 LFKOJQKDGZFWBN-IBGZPJMESA-N 462.579 4.416 50 10 JIGE CC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H](CBr)C2CC2)cc1 1915171953 ICXMSDXJRPOJBB-HXUWFJFHSA-N 451.386 4.009 50 10 JIGE CN(C[C@H](Br)COCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1 1916361902 OTUGFZLTWXUDEZ-INIZCTEOSA-N 477.218 4.050 50 10 JIGE O=C(N[C@@H](CCBr)C(F)F)c1ccc(I)c(Cl)c1 1918558467 GUEUXCFERSAYID-VIFPVBQESA-N 452.464 4.093 50 10 JIGE CCN(C[C@@](C)(CI)OC[C@H]1CCCCCO1)C(=O)OC(C)(C)C 1947245279 JFZLYZPBQUWZGX-CRAIPNDOSA-N 455.377 4.413 50 10 JIGE O=C(Nc1ccc(I)cc1Br)C1CC(Br)C1 1991409843 YFACNGAULIRLTR-UHFFFAOYSA-N 458.919 4.166 50 10 JIGE CCOC(=O)Cc1ccc(Br)c(CBr)c1I 2054988871 HXVBFTQAMRDYOK-UHFFFAOYSA-N 461.919 4.054 50 10 JIGE CCOc1cc(I)cc(OC(F)(F)F)c1C(=O)CBr 2055053499 RHSQUEKFOWSVDZ-UHFFFAOYSA-N 452.992 4.166 50 10 JIGE O=C(N[C@@H]1CCC[C@@H](Br)C1)c1ccc(Br)cc1I 2086152312 ZRTFZODEEYLYQV-PSASIEDQSA-N 486.973 4.490 50 10 JIGE CCN1CC[C@H]([C@@H](Br)c2c(Br)cccc2Br)S1(=O)=O 2094099405 VGAZTHMATVHCAL-ZYHUDNBSSA-N 476.028 4.072 50 10 JIGE O=C(c1c(Br)cccc1Br)N1CC(F)(F)C[C@@H]1CBr 2102802796 ALHUJFDIVGZYCN-SSDOTTSWSA-N 461.926 4.456 50 10 JIGE Cc1cc(S(=O)(=O)N(C)Cc2nccn2Cc2ccccc2)sc1CBr 2123244124 RUJJSEJVQMIVEX-UHFFFAOYSA-N 454.415 4.017 50 10 JIGE FC(F)(F)c1cnc(N2C[C@H]3[C@@H](Br)CC[C@H]3C2)c(I)c1 2144219550 FWOLJPJLLCOLTC-SFGNSQDASA-N 461.063 4.315 50 10 JIGE O=C(OCc1ccccc1)N1CCC(F)(CNS(=O)(=O)c2ccc(CBr)cc2)CC1 2162588918 LFRQKBRIPPSZPM-UHFFFAOYSA-N 499.402 4.001 50 10 JIGE Cc1c(CBr)cccc1S(=O)(=O)N1CCCN(Cc2ccccc2)C[C@H]1C 2179795625 UGWPKBLFOIKUEE-QGZVFWFLSA-N 451.430 4.175 50 10 JIGE CN(CCCOCc1ccccc1)S(=O)(=O)c1ccc(OCCCBr)cc1 2179831125 SUCDVEJBIYJXDO-UHFFFAOYSA-N 456.402 4.078 50 10 JIGE CN([C@@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]21)S(=O)(=O)c1cc(CBr)co1 2190548496 SWDFXFLLRDMORQ-WJFTUGDTSA-N 454.386 4.179 50 10 JIGE CC(C)(C)OC(=O)N[C@H](Cc1cccc(Br)c1)C(=O)NC[C@H]1C[C@H](Br)C1 2229114174 NOINKRBDRQAPAX-FVQBIDKESA-N 490.236 4.175 50 10 JIGE C[C@H](CCl)CC1CN(C(=O)c2ccc(Br)cc2I)C1 2230701147 WNARQKGCHJIVQI-VIFPVBQESA-N 456.549 4.391 50 10 JIGE CCOC(=O)c1ccsc1NC(=O)C(C#N)=Cc1ccc(OC)c(CN2CCSCC2)c1 2295672662 LIZVXRDFDQVPSA-UHFFFAOYSA-N 471.604 4.028 50 10 JIGE COc1cc(C=C(C#N)C(N)=O)ccc1OC(=O)COc1cc(C)c(Br)cc1C(C)C 2314772525 DDZWJEWJNXOLOT-UHFFFAOYSA-N 487.350 4.266 50 10 JIGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 2314785601 DKOZSNNRGFRJPG-UHFFFAOYSA-N 477.344 4.428 50 10 JIGE Clc1ccc(CN2CC[C@]3(C[C@H](Br)CO3)C2)cc1I 2337217871 BRQSGMWXNWLIFP-FZMZJTMJSA-N 456.549 4.073 50 10 JIGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H]1CCCC[C@@H]1CCBr 2364214861 PUDLYHFGZZQRDM-XLIONFOSSA-N 499.471 4.106 50 10 JIGE Cc1ncnc(N2CCC(CBr)(CC(F)F)CC2)c1I 2365439348 GCZMWYBYYXFHPB-UHFFFAOYSA-N 460.104 4.026 50 10 JIGE CC[C@@H](C)Oc1cccc(C(=O)NNC(=O)COc2ccc(Cl)cc2Br)c1 10663098 WVMPZFMVKKPKOI-GFCCVEGCSA-N 455.736 4.120 50 10 JIGE O=C(NC(=S)NNC(=O)C(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1Cl 12501429 PZRBPYAGYDWNDG-UHFFFAOYSA-N 458.370 4.461 50 10 JIGE CCCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(NC(=O)CC)cc1 14649757 KHMHJXFNRHBXBE-UHFFFAOYSA-N 462.344 4.051 50 10 JIGE COCCOc1ccc(C(=O)NNC(=O)c2sc3ccccc3c2Cl)cc1Br 14661470 XZPAHPWVBCFAQI-UHFFFAOYSA-N 483.771 4.417 50 10 JIGE CCOC(=O)/C(C#N)=C\c1cc(I)c(OCc2ccccc2C#N)c(OC)c1 33341711 CPXBNEWYRBBJSN-IUXPMGMMSA-N 488.281 4.221 50 10 JIGE CCOC(=O)[C@@H]1CCCN(c2nc3c(C)cccn3c(=O)c2/C=C(/C#N)c2nc3ccccc3s2)C1 33931490 WUJKBHUXPUXFDZ-GXYBQNOFSA-N 499.596 4.456 50 10 JIGE O=S(=O)(NCC1(CBr)CCCC1)c1cc(Cl)c(Br)s1 135197210 ZNPRPHYWVBKCNT-UHFFFAOYSA-N 451.633 4.398 50 10 JIGE C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]2(O)C(=O)CI 196012575 MVTKNXYIDSSKJC-KWNDPWABSA-N 456.364 4.254 50 10 JIGE Cc1cc(Br)c(OCC(=O)NN=Cc2ccc(Br)o2)c(Br)c1 252612274 IRLLPWWYKBQYSK-UHFFFAOYSA-N 494.965 4.405 50 10 JIGE CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=C/C=C/c2ccc([N+](=O)[O-])cc2)cc1 254350993 USLSIEKCVGLZAW-KOWAGYNJSA-N 483.528 4.247 50 10 JIGE COc1cccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)c1O 394535340 NNAYSEINPDGMFJ-WBVHZDCISA-N 467.303 4.188 50 10 JIGE FC(F)(F)Oc1nc(CBr)cc(I)c1Br 396162458 RVUPPIWBSBDJHI-UHFFFAOYSA-N 460.813 4.242 50 10 JIGE C[C@H]1CN(S(=O)(=O)c2cc(CCl)ccc2Br)CCN1Cc1ccccc1 396336966 KMQYEVZWZZYTPU-HNNXBMFYSA-N 457.821 4.083 50 10 JIGE BrCc1cc(Br)c(OCCO[C@H]2CCOC2)c(Br)c1 724963885 BXSLBMREXQWDQD-JTQLQIEISA-N 458.972 4.291 50 10 JIGE C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NN=Cc1c(-c2ccccc2)nc2sccn12 886014667 IPYOLFGFHIJRCG-BTVKBFDZSA-N 475.618 4.234 50 10 JIGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)cc1 1084416964 VFBAAEDIZPSCHM-DEOSSOPVSA-N 494.548 4.374 50 10 JIGE CCc1nn(CC)c2c1[C@@H](c1cc(Br)c(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865698168 MFSMDSMSZXCDSJ-KRWDZBQOSA-N 461.360 4.242 50 10 JIGE Cc1ccnc(C(=O)N(C)C[C@@H](Br)COCc2ccccc2)c1Br 1927093954 ZMTKEGZECOYXCL-OAHLLOKOSA-N 456.178 4.205 50 10 JIGE CCN1CC[C@H]([C@H](Br)c2cc(Br)c(Br)s2)S1(=O)=O 2029056867 AWBUMYHVVJOWCU-RKDXNWHRSA-N 482.057 4.133 50 10 JIGE Clc1ccc(I)c(I)c1CBr 2060264829 FWIVUSINGZXPNX-UHFFFAOYSA-N 457.274 4.444 50 10 JIGE O=C(NC[C@]1(F)C[C@@H](CBr)C1)c1c(Br)cccc1Br 2112235940 NELLWPMXCOBIEM-KTLJEJPDSA-N 457.963 4.455 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CCC([C@@H](F)CCl)CC1 2163240337 KRNXDFYFACMZEO-ZDUSSCGKSA-N 474.539 4.483 50 10 JIGE C[C@@H]1C[C@H](N(C)S(=O)(=O)c2ccc(F)c(CBr)c2)CN1Cc1ccccc1 2179791888 XWDVRZJKBDZEFM-QAPCUYQASA-N 455.393 4.004 50 10 JIGE Cc1oc(CBr)cc1S(=O)(=O)N1C[C@H](C)CN(Cc2ccccc2)C[C@H]1C 2179808084 DCULDXZODYQWGZ-HZPDHXFCSA-N 455.418 4.014 50 10 JIGE C[C@H](Br)[C@@H](NS(=O)(=O)c1ccc(Cl)c(Br)c1)C(F)(F)F 2195326360 ZNWRMKFAFBKXMW-SSDLBLMSSA-N 459.509 4.095 50 10 JIGE Cn1c(=O)n(C)c2cc([C@H](Br)[C@H]3C[C@@H](Br)C3)c(Br)cc21 2196896932 STGLMZYOVHXOKS-BFHDXFOESA-N 466.999 4.249 50 10 JIGE CN(C[C@]1(Br)CC1(F)F)S(=O)(=O)c1cc(CCl)sc1Br 2202538640 VWOOIOBBPSPCKM-SECBINFHSA-N 473.586 4.043 50 10 JIGE C[C@H](CBr)CC1CN(S(=O)(=O)c2cc(Br)ccc2Br)C1 2238731273 PJAUMCKFOXWIPX-VIFPVBQESA-N 490.055 4.253 50 10 JIGE CN(CCN(Cc1ccccc1)S(=O)(=O)c1cncc(CBr)c1)Cc1ccccc1 2243508380 FEYBUNGCBGJMKO-UHFFFAOYSA-N 488.451 4.299 50 10 JIGE BrC[C@@H]1[C@H]2CN(Cc3ccc(I)c(Br)c3)C[C@H]21 2306224322 PBHDYMYAKCUSTQ-RTCCRHLQSA-N 470.974 4.126 50 10 JIGE N#CC(=CNc1cc(Cl)ccn1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2318455157 NPVLCWJSCABOGT-UHFFFAOYSA-N 457.965 4.488 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1[C@H]2CC[C@@H]1[C@@H](CBr)C2 2329072096 VYJAUFPXNJKTOO-GBIKHYSHSA-N 498.984 4.442 50 10 JIGE CN(Cc1c(Br)c(Br)nn1C)C[C@@H](CBr)C1CCC1 2338944023 JEGVYNFOTJGLCK-SNVBAGLBSA-N 458.036 4.188 50 10 JIGE COc1ccc(CC(=O)NCCCCCCI)c(Br)c1 2364162147 CKUGQEBZISGXAZ-UHFFFAOYSA-N 454.146 4.112 50 10 JIGE N#CC1=C(N)N(N2CCOCC2)C2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccccc1Cl 27551827 VYEJNJIHCGNTSY-MHECFPHRSA-N 460.965 4.081 50 10 JIGE O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)N/N=C/C=C\c1ccccc1[N+](=O)[O-] 28351772 ISSSHYLVLSARCH-RDOTVJFLSA-N 485.525 4.201 50 10 JIGE CC(=O)Nc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OC(=O)c2ccccc2)cc1 35227660 HBNLEJQEWJXPSH-QFEZKATASA-N 480.318 4.391 50 10 JIGE CCCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2c(C)cccc2C)cc1 100154358 MDOFYQQLKYRPRX-UHFFFAOYSA-N 471.623 4.367 50 10 JIGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccccc3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242379 SCJSUFVTDUGNSQ-YMGIJWJESA-N 473.554 4.421 50 10 JIGE COCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OC)c2)C1=O 101335654 WIQIIGYTAHJIDZ-LFVJCYFKSA-N 482.540 4.177 50 10 JIGE COC(=O)[C@H](Br)CNc1c(Br)cc(Br)cc1Br 232446208 VXKMERCTUUQXHD-MRVPVSSYSA-N 494.803 4.323 50 10 JIGE COc1ccc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)cc1OC(=O)c1ccccc1 252605304 GHRBTTDPZDXSSW-UHFFFAOYSA-N 480.520 4.301 50 10 JIGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc(F)cc3)cc2OCC)cc1 254874979 MZRMUPWSHKJQJD-UHFFFAOYSA-N 480.492 4.371 50 10 JIGE Cn1ncc([C@@H](Br)c2sccc2Br)c1I 306476903 YMPCMSWRMXUGEC-SSDOTTSWSA-N 461.948 4.333 50 10 JIGE FC(F)(F)Oc1nc(I)c(CBr)cc1Br 396155078 JXNAYHUIKFOKNR-UHFFFAOYSA-N 460.813 4.242 50 10 JIGE Cc1cc(C=NNC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)c(C)n1-c1ccccc1 1084204553 BPVDXDUEIYDDIV-UHFFFAOYSA-N 474.586 4.164 50 10 JIGE C=CCc1cc(C=NNC(=O)COc2ccc(-c3ccccc3)cc2)cc(OC)c1OCC(=O)O 1084535396 LDRZVMNBADNAAG-UHFFFAOYSA-N 474.513 4.083 50 10 JIGE CCOc1cc(/C=C(\C#N)C(=O)N(C)C)c(Br)cc1OCc1ccc2c(c1)OCO2 1084633185 YCPOTDVZVNPEJZ-LZYBPNLTSA-N 473.323 4.151 50 10 JIGE COC(=O)c1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2C)CCC3)cc1 1772743607 GIEYHATWYVSBLQ-UHFFFAOYSA-N 459.502 4.406 50 10 JIGE CN(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)cc1 1865683940 QWRUNFCMQQZCBA-GOSISDBHSA-N 457.431 4.373 50 10 JIGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc3c(c1)OCCO3)C(C#N)=C(N)O2 1865698106 KUHCWHQPBUSYDB-FQEVSTJZSA-N 479.334 4.187 50 10 JIGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OC)c(OC)c2)cc1 1865706653 BWCKBBFCBWLXHG-SFHVURJKSA-N 472.423 4.135 50 10 JIGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCN(CC(C)=O)CC3)n2)c1 1868506376 WGQYJRMNTOBEJR-UHFFFAOYSA-N 474.590 4.180 50 10 JIGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](C)N3C(=O)c4ccccc4C3=O)n2)c(OC)c1 1872755505 QYEYLFKAFKPZSC-NAWWWVTNSA-N 461.499 4.305 50 10 JIGE O=C(c1csc(Br)c1Br)N1CCSC[C@@H]1CBr 1945189586 UOFRMEFXMDMVMH-LURJTMIESA-N 464.042 4.226 50 10 JIGE C[C@@H]1[C@H](Br)CCN1C(=O)c1ccc(Br)cc1I 2026216071 DCFCQSPAYHPSON-GMSGAONNSA-N 472.946 4.052 50 10 JIGE CC[C@@H](CBr)N(C)C(=O)c1ccc(Br)cc1I 2026220404 DJIIIJRBPFBYHX-VIFPVBQESA-N 474.962 4.299 50 10 JIGE C[C@]1(CBr)C[C@H](NC(=O)c2ccc(I)c(Br)c2)C1 2059450790 IOPIRIRZONWCNM-GMZHKTEUSA-N 486.973 4.347 50 10 JIGE CN1CCCC[C@@H]1n1nc(CBr)c(I)c1C(F)(F)F 2079260660 KPALNNQLSQNBIN-QMMMGPOBSA-N 452.056 4.016 50 10 JIGE O=C(c1csc(Br)c1Br)N1[C@H](CBr)C[C@H]2OCC[C@@H]21 2093947742 FGIREAMHAIRSAD-CNUIFLNQSA-N 474.012 4.040 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H]2CC[C@H](C1)C2Br 2111478503 UKOKOXHTXLGMMM-HWYHXSKPSA-N 498.984 4.299 50 10 JIGE BrC[C@@H]1C[C@@H]2OCC[C@H]2N1Cc1cc(Br)ccc1Br 2118525466 UMYGMTBMPNYYCJ-YUTCNCBUSA-N 454.000 4.338 50 10 JIGE CN(Cc1ccccc1)[C@@H]1CCN(S(=O)(=O)c2ccc(CBr)cc2Cl)C1 2123211874 ZTLFPNHNOABGSJ-QGZVFWFLSA-N 457.821 4.130 50 10 JIGE O=S(=O)(NC1(C(F)(F)F)CCC(Br)CC1)C1CC(OCc2ccccc2)C1 2161299339 XOKHVWJSMAIBSD-UHFFFAOYSA-N 470.351 4.292 50 10 JIGE CC1(C)CN(S(=O)(=O)c2cc(CBr)ccc2F)CCN1Cc1ccccc1 2179789208 NSHPLZHNERBCDM-UHFFFAOYSA-N 455.393 4.006 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N[C@H]1C[C@H](CCBr)C1 2277929621 RSHKSEAWJNRNDF-GMZHKTEUSA-N 454.000 4.434 50 10 JIGE C[C@@H](CBr)[C@@H]1CCCCN1C(=O)c1c(F)cccc1I 2282793242 YTEDHVZFJGGHIR-GWCFXTLKSA-N 454.121 4.456 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CCCC[C@@H]1OCc1ccccc1 2325069250 BTNGYSFCWDQNPL-CVDCTZTESA-N 484.684 4.465 50 10 JIGE CCOc1cc(C=NNC(=O)[C@@H](N)Cc2ccccc2)ccc1OCc1ccccc1Cl 2328798506 AKMFMGOFGPPMTC-QFIPXVFZSA-N 451.954 4.338 50 10 JIGE COc1ccc(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N(C(C)(C)C)C3)n2)c(OC)c1OC 2331412570 KKDJOPRFSIEWGM-CYBMUJFWSA-N 457.552 4.276 50 10 JIGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2COCCO2)c1Br 2339650451 GGNJJOSKMPIAHU-MWLCHTKSSA-N 458.972 4.380 50 10 JIGE CC(C)CCOc1ccc(C(=O)NNC(=O)COc2ccccc2Cl)cc1Br 14645683 NMYITTFQPGFHBV-UHFFFAOYSA-N 469.763 4.367 50 10 JIGE C[C@@H]1CCc2c(sc3ncn(CC(=O)N/N=C\c4cccc(OCc5ccccc5)c4)c(=O)c23)C1 31829129 OVANXRYBWAIAFB-UEAGUAMBSA-N 486.597 4.312 50 10 JIGE O=C(NNc1ncnc(Nc2ccc(Cl)c(Cl)c2)c1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 40591522 ZPKVJUWPJNGFSV-UHFFFAOYSA-N 464.225 4.100 50 10 JIGE Cc1ccccc1C(=O)NNc1ncnc(Nc2ccc(C(=O)OCC(C)C)cc2)c1[N+](=O)[O-] 40649899 WJZSNMAZOLEUHV-UHFFFAOYSA-N 464.482 4.007 50 10 JIGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)CCC3)cc1 40814617 DTEDGUXQBGVEBE-NHFJDJAPSA-N 460.490 4.456 50 10 JIGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)c1ccccc1CCc1ccccc1 41011138 WDWNAYWIBHVIPY-NCELDCMTSA-N 496.563 4.465 50 10 JIGE COc1c(Br)cc(/C=N/NC(=O)Nc2ccccc2)c(OC)c1Br 169885256 OPIAWLNAJSHYFD-DJKKODMXSA-N 457.122 4.384 50 10 JIGE Cc1cc(/C=C(/C#N)C(=O)OCC(=O)NC(C)(C)C)c(C)n1-c1ccc(Br)cc1 206829731 BCAYFZMWCRIXGQ-BOPFTXTBSA-N 458.356 4.222 50 10 JIGE N#C/C(=C/Nc1ccc(I)cc1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 217229548 NANFCAVPKHIMMN-KTKRTIGZSA-N 468.638 4.311 50 10 JIGE CCCN(CCC)CN1C(=O)C(=NNC(=O)CSc2nc3ccccc3s2)c2ccccc21 254522646 PSYBZHYAFDDQPS-UHFFFAOYSA-N 481.647 4.335 50 10 JIGE CC1(C)CN(S(=O)(=O)c2ccc(CCl)cc2Br)CCN1Cc1ccccc1 382648649 SHZZYCNBTDJSQQ-UHFFFAOYSA-N 471.848 4.473 50 10 JIGE C[C@@H](Br)[C@H]1CCCN(S(=O)(=O)c2cc(Br)ccc2Br)C1 688939847 VLYLPNZVCGRUJZ-ZJUUUORDSA-N 490.055 4.396 50 10 JIGE CC(=O)c1ccccc1NC(=O)[C@H](C)OC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1 729344498 IDTLRFDXCGDPEK-QTKYHAHDSA-N 481.512 4.144 50 10 JIGE N#CCCn1cc(/C=C(\C#N)C(=O)OC[C@H]2CSc3ccccc3O2)c(-c2ccccc2)n1 749080441 FUQLYDHDYXHGCB-YMFQVDJJSA-N 456.527 4.467 50 10 JIGE COc1ccccc1NC(=O)C(=O)NN=Cc1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C 1084087759 HJQMJKIUNIGJJX-UHFFFAOYSA-N 459.333 4.498 50 10 JIGE Cc1occc1C(=O)NN=C1C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 1084095426 BWPWEFGBVIEAST-UHFFFAOYSA-N 452.308 4.074 50 10 JIGE C=CCN(c1ccc(C(=O)NN=Cc2ccc(OCC)cc2)cc1)S(=O)(=O)c1ccccc1 1084378878 YQOCMESWEJUSIA-UHFFFAOYSA-N 463.559 4.231 50 10 JIGE C=CCC[C@H](NC(=O)NNC(=O)c1cc(OC)cc(OC)c1)c1ccc(C(F)(F)F)cc1 1230693650 JVLVWARISMBPTM-IBGZPJMESA-N 451.445 4.374 50 10 JIGE CCCCN1C(=O)C(=NNC(=O)CCCCCNC(=O)c2ccccc2Cl)c2cc(OC)ccc21 1772720981 YHGMITGUVJTKKF-UHFFFAOYSA-N 499.011 4.306 50 10 JIGE COc1cc(C(=O)NNC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)nc2C)ccc1[N+](=O)[O-] 1865759195 MZQVXMVEBWONAT-UHFFFAOYSA-N 475.288 4.355 50 10 JIGE C#CC[C@](C)(CBr)CNC(=O)c1cc(Br)ccc1I 2140714054 NTZSAXQWNQLISC-CQSZACIVSA-N 498.984 4.208 50 10 JIGE C#CC[C@](C)(CBr)CNC(=O)c1cc(Br)ccc1Br 2140714252 OMJGPSZBLRZXCJ-CQSZACIVSA-N 451.984 4.366 50 10 JIGE BrCc1cc(Br)c(OC[C@@H]2OC[C@H]3CCO[C@H]23)c(Br)c1 2145934238 KHJOBVQQNPKZOI-ICCXJUOJSA-N 470.983 4.289 50 10 JIGE O=C(c1cc(I)ccc1O)N(CCBr)Cc1ccsc1 2171085616 QPABDOUULCFBLB-UHFFFAOYSA-N 466.138 4.096 50 10 JIGE O=S(=O)(c1cc(CBr)ccc1F)N(Cc1ccccc1)CC1CCOCC1 2179786334 ZCUUFWIUTSDYGD-UHFFFAOYSA-N 456.377 4.338 50 10 JIGE CCn1cc(Br)c(-n2c(CCl)nc3cc(I)ccc32)n1 2181151627 SFWOPUKHFLQLGR-UHFFFAOYSA-N 465.520 4.348 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1C[C@H]2C[C@H](Br)C[C@H]1C2 2268339929 JVSUKPAKKAMZOD-INTQDDNPSA-N 454.533 4.333 50 10 JIGE O=C(NC[C@@H]1CC[C@@H](CBr)CO1)c1cccc(Br)c1Br 2279404503 ZERFQUUXEMSOTN-UWVGGRQHSA-N 469.999 4.132 50 10 JIGE CNC(=O)C(C#N)=C1S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(OC)cc1 2314593726 RZLICCMTHWMCAD-GOSISDBHSA-N 462.358 4.174 50 10 JIGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc([N+](=O)[O-])c2)cc1 2314634140 QSDSADZOWZACME-VWLOTQADSA-N 469.453 4.440 50 10 JIGE COc1ccc(C(C#N)=Cc2ccc(OC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)c(OC)c2)cc1 2320506181 DGKXNBAIMDYJMT-UHFFFAOYSA-N 492.553 4.237 50 10 JIGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=O)c1ccccc1 12490949 MHHRSWMSPACZJV-UHFFFAOYSA-N 478.140 4.205 50 10 JIGE O=S(=O)(CCCCl)Nc1c(Br)cc(Br)cc1Br 36881493 ZZWWFYWLYSWTGD-UHFFFAOYSA-N 470.408 4.345 50 10 JIGE Nc1nnc(SCCCC(=O)N/N=C/c2ccccc2OCc2ccccc2Cl)s1 58991773 UNOFQLQWYIVZCB-FSJBWODESA-N 462.000 4.375 50 10 JIGE O=C(N/N=C1\C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21)c1cccs1 59165696 DHRKMKNLUPCSRB-NKFKGCMQSA-N 458.312 4.331 50 10 JIGE CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3cc(Br)ccc3O)o2)cc1 59433241 MNOGDCVOYGWYAK-FSJBWODESA-N 457.280 4.355 50 10 JIGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)NCc2ccccc2)cc1 102846189 CNNMVIXIKSOMJY-QNGOZBTKSA-N 450.498 4.327 50 10 JIGE O=S(=O)(NC[C@H]1CCC[C@H]1CBr)c1cc(Cl)c(Br)s1 136708030 RTVMRHPMXZZMQC-JGVFFNPUSA-N 451.633 4.254 50 10 JIGE C[C@@H](Br)CCCNS(=O)(=O)c1cc(Br)ccc1Br 227802439 GIELMFSEHLONRE-MRVPVSSYSA-N 464.017 4.054 50 10 JIGE ClCCOCCOc1c(I)cc(Cl)cc1I 309436406 HZTDJWCSKZQGEG-UHFFFAOYSA-N 486.902 4.183 50 10 JIGE CC(C)N(CCOCCCl)C(=O)c1cc(I)ccc1Br 312576640 SUCCPHHSZRZMEQ-UHFFFAOYSA-N 474.564 4.160 50 10 JIGE C[C@H]1C[C@H](CBr)CN(C(=O)c2ccc(I)c(Cl)c2)C1 398798604 MACRJMIHCYGDBI-VHSXEESVSA-N 456.549 4.438 50 10 JIGE Cc1cc(C=NNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(Cl)cc1Cl 1083899265 OIJAYGKKCKHWHF-UHFFFAOYSA-N 474.304 4.398 50 10 JIGE COc1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)c(OC)c1 1614806378 JQSLOEPEWBHHAR-LPHOPBHVSA-N 481.330 4.491 50 10 JIGE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NNC(=O)c2cc3c(s2)CC[C@H](C)C3)cc1 1667786582 UUFKKVZNYKPOMY-INIZCTEOSA-N 452.580 4.154 50 10 JIGE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@@H]2c1cc(Br)cc(OC)c1O 1865697273 YXXDBCVMJVYEAL-LBPRGKRZSA-N 473.249 4.007 50 10 JIGE COc1cccc(/C=N/NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)c1OCc1ccccc1F 1873795675 WPMLOIKERXYTOH-XYGFXTTESA-N 473.545 4.413 50 10 JIGE C[C@@H](Cl)[C@@H](NC(=O)c1cc(Br)ccc1I)C(F)(F)F 1882675080 QLTHKQUDBHGKAF-MLUIRONXSA-N 470.454 4.342 50 10 JIGE CC1(C)CN(C(=O)c2cc(I)ccc2Br)C[C@@H]1CCl 1914532042 RANCDZCJIRYMGC-VIFPVBQESA-N 456.549 4.391 50 10 JIGE C[C@@H](Br)C[C@@H]1CCCCCN1C(=O)c1cc(I)sn1 2120026148 MXKBBNOUJKMRFK-ZJUUUORDSA-N 457.175 4.306 50 10 JIGE CN1CCN(Cc2ccc(Br)cc2Br)[C@@H](CCBr)C1 2138085319 UTVOUXGOYFSUHQ-ZDUSSCGKSA-N 455.032 4.113 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@H](CBr)C2(CC2)C1 2142280137 ZJISWMAXANTLMH-VIFPVBQESA-N 498.984 4.301 50 10 JIGE CC[C@]1(NS(=O)(=O)c2ccc(CBr)cc2)CCCN(C(=O)OC(C)(C)C)C1 2162587561 VFNLEJLSHKLDHB-IBGZPJMESA-N 461.422 4.040 50 10 JIGE C[C@@H]1CCN(Cc2ccccc2)CCN1S(=O)(=O)c1cc(CBr)ccc1F 2179789491 RFJVAHCNKMAYOQ-MRXNPFEDSA-N 455.393 4.006 50 10 JIGE Cc1sc(CBr)cc1S(=O)(=O)N1CC[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 2179819321 KRZBIYHESDNFRQ-MSOLQXFVSA-N 469.470 4.094 50 10 JIGE Cc1sc(CBr)cc1S(=O)(=O)N1[C@H]2CCC[C@H]1CN(Cc1ccccc1)C2 2182303350 INJSKSCIZFVVSS-ROUUACIJSA-N 469.470 4.379 50 10 JIGE O=S(=O)(c1csc(CBr)c1)N1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 2226342572 YDKQXAMJFKYOSO-CALCHBBNSA-N 455.443 4.071 50 10 JIGE Cc1ccc(C(=O)N2[C@H]3CC[C@H]2[C@H](F)[C@H](Br)C3)cc1I 2232838905 NHCFJYXDPUYBSP-UZGDPCLZSA-N 452.105 4.078 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OC2CC3(CC(F)C3)C2)C1 2249866322 YAWSKQVOZMIEGB-RXWFTMJKSA-N 453.336 4.488 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1C[C@@H]2C[C@H](C[C@H]2Br)C1 2268343624 XQVWCLWKZVZYIF-DVVUODLYSA-N 454.533 4.190 50 10 JIGE CCOC(=O)c1ccccc1NC=C(C#N)C(=O)Nc1ccc(I)cc1C 2325405904 ORKUXJPKLMSGBZ-UHFFFAOYSA-N 475.286 4.234 50 10 JIGE COCCO[C@@H]1[C@@H](Br)C[C@H]1Oc1cc(Br)cc(Br)c1 2338759221 WGKCCZVGKPFUOW-YNEHKIRRSA-N 458.972 4.158 50 10 JIGE O=C(c1sccc1I)N1CCC[C@@H](Br)[C@@H]1C(F)(F)F 2344128401 OHINYBNKVSPBJX-HZGVNTEJSA-N 468.076 4.283 50 10 JIGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@@H]1CCCC[C@H](Br)C1 2364213071 DOUTUSHDEKBZQK-MSOLQXFVSA-N 499.471 4.106 50 10 JIGE Cc1ccccc1C[C@H]1S/C(=C(\C#N)C(=O)NCc2ccco2)N(c2ccc(F)cc2)C1=O 1888994 WUMWXLHEAYFXBL-FNBPXTNNSA-N 461.518 4.470 50 10 JIGE Cc1cc(Br)cc(C)c1OCC(=O)NNC(=O)c1ccc(OCc2ccccc2)cc1 14027919 ZQHWESMSMPGIIY-UHFFFAOYSA-N 483.362 4.485 50 10 JIGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)c1 38650194 HFARKLCBTWYDRW-MYYSRTQBSA-N 460.461 4.425 50 10 JIGE CCc1ccc(Nc2ncnc(NNC(=O)c3ccc(Br)cc3)c2[N+](=O)[O-])cc1 40587337 NRTMBWPQSMRUFQ-UHFFFAOYSA-N 457.288 4.210 50 10 JIGE Cc1ccc(CNC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc([N+](=O)[O-])cc2)CCC3)cc1 40812151 XCYPTCFOCVKERG-NHFJDJAPSA-N 460.490 4.205 50 10 JIGE C=CCOc1ccc(/C=N/NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 48572000 TWJUMNOOBSUZDV-PCLIKHOPSA-N 469.950 4.470 50 10 JIGE O=C(N/N=C1/C(=O)N(Cc2ccccc2F)c2ccccc21)c1cccc(Br)c1 59165718 ZGPAIYHGRJSKFD-LKUDQCMESA-N 452.283 4.269 50 10 JIGE CC1CCC(NC(=O)[C@H](c2ccc(F)cc2)N(C[C@@H]2COc3ccccc3O2)C(=O)CCl)CC1 97914706 OCZGVPDDCRDGLW-YUIRVDSQSA-N 488.987 4.469 50 10 JIGE COc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2OC)cc1OC 206500261 OUZUXIPDUMOCIX-NBFKERQFSA-N 488.496 4.148 50 10 JIGE C[C@@H](CCCBr)NC(=O)c1cc(Br)ccc1I 235065752 XQWGCPNAIIVPPE-QMMMGPOBSA-N 474.962 4.347 50 10 JIGE CN1C[C@H](c2cc(Cl)ccc2I)[C@@H](CI)C1 382719473 MOSXGIPHHIGXCT-KWQFWETISA-N 461.512 4.025 50 10 JIGE C[C@@H]1[C@@H](Br)CCCN1S(=O)(=O)c1cc(Br)ccc1Br 395019764 XZTQBLKUYYQBJU-SCZZXKLOSA-N 476.028 4.148 50 10 JIGE CC(CC(=O)NC12CC3CC(CC(C3)C1)C2)=NNC(=O)COc1ccc(C)cc1Br 607747257 XUKJLOXWZYPDCM-UHFFFAOYSA-N 476.415 4.104 50 10 JIGE Fc1cc2c(cc1I)nc(CCl)n2Cc1cc(Br)no1 718884912 YWBJNWXGYMNELT-UHFFFAOYSA-N 470.467 4.318 50 10 JIGE C[C@H](Br)C1CN(S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)C1 719758252 OQFBZWYTFYXEIW-LURJTMIESA-N 451.995 4.160 50 10 JIGE Cc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2=O)c(C)n1-c1ccc(F)cc1 743720576 FUPVDHUYBCAPDQ-WNRWPCNTSA-N 456.521 4.058 50 10 JIGE N#CCCn1cc(/C=C(\C#N)C(=O)Nc2cccc(NC(=O)C3CC3)c2)c(-c2ccccc2)n1 914469722 CPWZNOYMFXZQBL-XSFVSMFZSA-N 450.502 4.358 50 10 JIGE COc1ccc(N(CC(=O)NN=Cc2c(F)cccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1 1084563254 MINBJHUGZQKULB-UHFFFAOYSA-N 489.956 4.142 50 10 JIGE Cc1c(C(=O)NC2CCCC2)oc2c1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772748558 ZENAHHSACUHSMN-UHFFFAOYSA-N 471.373 4.250 50 10 JIGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@H](c2cccnc2)C(C#N)=C(N)O3)cc1 1865699814 DASIDVGTYZLMAK-JOCHJYFZSA-N 453.477 4.359 50 10 JIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2Cl)ccc1O 1865706465 XKEWGPIONINREI-MRXNPFEDSA-N 462.815 4.477 50 10 JIGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)cc1 1865708944 JXVWXNPMTMVEIN-KRWDZBQOSA-N 472.398 4.094 50 10 JIGE C[C@@H](Br)[C@H]1CCCN1C(=O)c1cc(Br)ccc1I 2073320119 KOJNCJRFQHAJJG-PRHODGIISA-N 486.973 4.442 50 10 JIGE O=C(N[C@@H]1CCCC[C@H]1Br)c1ccc(Br)cc1I 2086148339 ZHUOGDSWPQZGBG-ZYHUDNBSSA-N 486.973 4.490 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@@H]2CC[C@H](C1)C2Br 2111473203 FETGAISYNYZVNP-PHXKMMTBSA-N 498.984 4.299 50 10 JIGE O=C(NCC1(CBr)CCOCC1)c1cccc(Br)c1Br 2148753271 RKTYENANTBXGIP-UHFFFAOYSA-N 469.999 4.133 50 10 JIGE C[C@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(CCl)c(Br)c2)CN1Cc1ccccc1 2154840683 SZOOACGTEMKNJI-MAUKXSAKSA-N 471.848 4.471 50 10 JIGE CN(C[C@@H](Br)C1CCCC1)C(=O)c1cccc(F)c1I 2167656339 PIYAMVGAFCUTSL-GFCCVEGCSA-N 454.121 4.456 50 10 JIGE CC[C@@H](Br)[C@@H]1CCCCN1C(=O)c1ccc(I)c(O)c1 2170612110 GQFLJMZUXHKUNU-YPMHNXCESA-N 452.130 4.165 50 10 JIGE Cc1ccc(CBr)cc1S(=O)(=O)N(Cc1ccccc1)C1CCN(C)CC1 2179788561 DKELURGUAQPKRQ-UHFFFAOYSA-N 451.430 4.175 50 10 JIGE O=C(N[C@H]1COC2(CCC2)[C@@H]1Br)c1ccc(Br)cc1Br 2206483389 DGIXXKLYMFPOHT-NWDGAFQWSA-N 467.983 4.026 50 10 JIGE CCN(C[C@@](C)(CI)OCc1ccc2c(c1)OCO2)C(=O)OC(C)(C)C 2272070356 WKYZWVZTXCDIGL-LJQANCHMSA-N 477.339 4.383 50 10 JIGE O=S1(=O)CC[C@H]([C@H](Br)c2c(F)cc(Br)c(F)c2Br)C1 2272739006 JUUUZEKHIAUGNG-CDUCUWFYSA-N 482.966 4.361 50 10 JIGE CC(C)(C)OC(=O)NC1C[C@@H]2CSC[C@H](C1)C21CCC[C@H](CI)O1 2302387140 FTAIHVCBBKNMEC-WHDPVNKASA-N 467.413 4.396 50 10 JIGE O=C(N[C@H](CCBr)COCc1ccccc1)c1ccc(Br)c(O)c1 2303701175 WRKVZUARLFBXQE-OAHLLOKOSA-N 457.162 4.255 50 10 JIGE CC(C)c1ccc(C=CC(=O)NNC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)cc1 2318792712 PEZRUNSFDYSXGW-UHFFFAOYSA-N 472.570 4.109 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC[C@@H]2C[C@H]3[C@@H](C2)C3(F)F)C1 2320757046 JXQVRHOFHVVGDB-UMPJEAMMSA-N 471.326 4.499 50 10 JIGE CCOc1c(Br)cc(C=NNC(=O)c2cccc(OC)c2)cc1Br 2322952638 DORPIWUKIRIHIM-UHFFFAOYSA-N 456.134 4.383 50 10 JIGE C[C@H](C(=O)NNC(=O)C=Cc1ccc(Cl)cc1Cl)n1cnc2sc3c(c2c1=O)CCCC3 2325885170 KUQBKKKCQDTZLF-GFCCVEGCSA-N 491.400 4.065 50 10 JIGE CC1(C)CN(Cc2cc(I)ccc2Cl)C[C@H](CBr)O1 2352414376 SUNHGLLNUYHOIB-LBPRGKRZSA-N 458.565 4.319 50 10 JIGE CC(C)(C)CCN(CCCl)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364190198 KCKWWSTXTIAICY-UHFFFAOYSA-N 457.036 4.150 50 10 JIGE O=C(CCCC[C@@H]1CCSS1)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 12919220 VAGKMSIUXIEINF-GYZOOYGHSA-N 496.701 4.447 50 10 JIGE CCCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C)cc2)cc1 100154406 JHASYRUKCYPAQG-UHFFFAOYSA-N 457.596 4.059 50 10 JIGE C[C@H](Br)C[C@@H](C)NC(=O)c1cc(Br)ccc1I 235400043 ZCJXFGCXYGWKRT-JGVFFNPUSA-N 474.962 4.346 50 10 JIGE COc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2cc(Br)ccc2OC)cc1 252596749 CMIMJICKCUHQSR-UHFFFAOYSA-N 483.318 4.449 50 10 JIGE C[C@H](Br)C[C@@H]1CCCCN1C(=O)c1cc(I)ccc1O 312348935 IBKVYDFGYGKSDT-JQWIXIFHSA-N 452.130 4.165 50 10 JIGE C[C@H](Br)C[C@H](C)NC(=O)c1ccc(I)c(Br)c1 721595055 SCWWCUSKJZKKIJ-YUMQZZPRSA-N 474.962 4.346 50 10 JIGE Cc1nccc(CNC(=O)NNC(=O)c2ccc(COc3ccccc3-c3ccccc3)cc2)n1 918106736 GITXECYDUYKPLO-UHFFFAOYSA-N 467.529 4.175 50 10 JIGE CCCOc1ccc(C=NNC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc1 1084221680 SYDAYEQBQFEYNQ-UHFFFAOYSA-N 483.565 4.269 50 10 JIGE N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])o1)C(=O)N1CCN(c2ccccc2)CC1 1084519931 INDDIMWZRBRXHL-SAPNQHFASA-N 473.445 4.019 50 10 JIGE CN(C)C(=O)/C(C#N)=C/c1ccc(OCc2ccccc2F)c(I)c1 1084624744 FUBKGTWIKSAJNJ-OQLLNIDSSA-N 450.251 4.004 50 10 JIGE CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NNC(=O)c1sc2cc(F)ccc2c1Cl 1609905310 FXJORJLXMXIVGL-QGZVFWFLSA-N 457.914 4.419 50 10 JIGE O=C(OCc1ccccc1)N1C[C@H](CBr)[C@H](c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 1614633495 LAEMGOQXAUWWSZ-YJBOKZPZSA-N 464.272 4.250 50 10 JIGE CC(=O)N1C[C@H](CI)[C@H](c2cc(C(F)(F)F)ccc2Br)C1 1614696005 WWSFISOGSXQPDN-JOYOIKCWSA-N 476.074 4.465 50 10 JIGE Cc1c(C(=O)Nc2ccc(F)cc2)oc2c1C(=NNC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 1772744422 DBIYDJGNNLWBTC-UHFFFAOYSA-N 450.426 4.358 50 10 JIGE COC[C@H](C)NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772748721 STEXGTLQQOESCV-NSHDSACASA-N 452.338 4.130 50 10 JIGE Cc1c(C(=O)Nc2ccccn2)oc2c1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772748774 GAPCKOUSWBCRNU-UHFFFAOYSA-N 480.340 4.225 50 10 JIGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccn2)ccc1O 1865681493 OVXLSHXKVTULID-QFIPXVFZSA-N 451.486 4.257 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(F)cc2)[C@@H]1c1ccc(C(=O)O)cc1 1865709033 LYEWPXKTIZGKDM-MRXNPFEDSA-N 458.371 4.006 50 10 JIGE COc1ccc(-c2ccc(C(=O)NNC(=O)CCCSc3ccccc3)c(C)n2)cc1OC 1865759349 VVNLSPIUWWFWCD-UHFFFAOYSA-N 465.575 4.408 50 10 JIGE O=C(c1csc(Br)c1Br)N1C[C@H](Br)C(F)(F)C1 1946671089 SQVCYLQGWUNBIU-YFKPBYRVSA-N 453.928 4.128 50 10 JIGE CC(C)(C)OC(=O)N(CCNS(=O)(=O)c1cccc(CCl)c1)OCc1ccccc1 1977703239 XQDQRDIOUWVNNU-UHFFFAOYSA-N 454.976 4.073 50 10 JIGE O=C(NC1(CCCBr)CC1)c1cc(Br)ccc1I 2029621596 KJGZEXDBEGZWSO-UHFFFAOYSA-N 486.973 4.491 50 10 JIGE Cc1ccnc(F)c1-n1nc(CBr)c(I)c1C(F)(F)F 2078931883 ANANQAKCCJNADV-UHFFFAOYSA-N 463.998 4.233 50 10 JIGE CC1([C@@H](CBr)NC(=O)c2ccc(Br)cc2I)CC1 2086146316 YEIHFRWDUCAUAU-LLVKDONJSA-N 486.973 4.347 50 10 JIGE O=C(N[C@@H]1C[C@H](CBr)[C@H]2C[C@@H]21)c1ccc(I)c(Cl)c1 2110550333 SADAHLHMOOTJBN-ORXSELOVSA-N 454.533 4.094 50 10 JIGE Cc1cc(S(=O)(=O)N2CCCN(Cc3ccccc3)CCC2)sc1CBr 2123243556 LGQBKCDVILGPPO-UHFFFAOYSA-N 457.459 4.238 50 10 JIGE FC(F)(F)c1cnc(N2C[C@@H]3CC[C@H](C2)C3Br)c(I)c1 2167777928 RTPQABXEZCHSGL-OQJHAAMPSA-N 461.063 4.315 50 10 JIGE C[C@@H]1CN(C(=O)c2ccc(F)cc2I)CC[C@H]1CCBr 2172474600 NWXDFDHDQFSUKX-GHMZBOCLSA-N 454.121 4.314 50 10 JIGE C[C@H](CCN(C)S(=O)(=O)c1cc(CBr)sc1Br)C(F)F 2179774091 CAVKJWJFMBODHP-SSDOTTSWSA-N 455.184 4.317 50 10 JIGE O=S(=O)(N[C@@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]21)c1ccc(CBr)cc1 2190549090 WVYIGFUSXDGBNJ-FMWKFLBASA-N 450.398 4.244 50 10 JIGE O=C(N[C@@H]1C[C@H]2CC[C@H]1[C@H](Br)C2)c1ccc(F)cc1I 2204563114 LYTPCNRHCQSFKD-TWOBJEBXSA-N 452.105 4.112 50 10 JIGE Cn1nc(Br)c(C[C@H](CBr)Cc2ccccc2Br)n1 2226984262 BYLZPQWSPKTGTI-SECBINFHSA-N 451.988 4.136 50 10 JIGE CN(C[C@H]1C[C@@H]1Br)C(=O)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229119968 ZZPLLDTYAOMQEG-VNQPRFMTSA-N 490.236 4.127 50 10 JIGE C[C@@H](CCCCCI)NS(=O)(=O)Cc1cccc(Br)c1 2234505109 ZELWOOGDMTTXTM-LBPRGKRZSA-N 474.202 4.252 50 10 JIGE COc1ccc(-c2nnc(SCC(=O)NN=CC=Cc3ccco3)n2-c2ccccc2)cc1 2293453441 JAOQHXDFUUQYHA-UHFFFAOYSA-N 459.531 4.443 50 10 JIGE CCOc1cc(C=C2C(=O)N(CCCOC)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1 2314618895 WGTXZLLZQVZPBW-UHFFFAOYSA-N 460.530 4.293 50 10 JIGE N#CC(=CN1CCN(C(=O)c2ccco2)CC1)C(=O)Nc1ccccc1Sc1ccccc1 2325339617 QTNADTYNVCPICG-UHFFFAOYSA-N 458.543 4.235 50 10 JIGE COc1ccc(C=CC(=O)NN=C2C(=O)N(Cc3ccccc3Cl)c3ccccc32)cc1OC 2326839970 HGKSUYMCLHBSDZ-UHFFFAOYSA-N 475.932 4.438 50 10 JIGE O=C(c1cc(Br)ccc1Br)N1C[C@H]2CC[C@@H](Br)[C@H]2C1 2328657464 YCHRKHFRDJMGRW-YDEJPDAXSA-N 451.984 4.457 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1C[C@@H]2[C@H](CBr)C[C@H]2C1 2340052876 UDPUBYOMGAHQGF-HOTUBEGUSA-N 454.533 4.048 50 10 JIGE Clc1ccc(I)cc1CN1CC[C@@]2(C[C@@H](Br)CO2)C1 2352432628 VYBCGCLDDDPZQC-BXUZGUMPSA-N 456.549 4.073 50 10 JIGE CCc1ccc(OCC(=O)NNC(=O)COc2ccc([C@H](C)CC)cc2)c(Br)c1 13983357 JQYVUPCIPAVOFZ-OAHLLOKOSA-N 463.372 4.130 50 10 JIGE Cc1ccc(OCC(=O)NNC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)cc1 14669689 WIRBVOWKHVPSGX-UHFFFAOYSA-N 483.362 4.219 50 10 JIGE CCOc1cc(/C=C\C(=O)NNC(=O)c2ccccc2F)ccc1OCCOc1ccc(F)cc1 33467388 LPIYHOGUYXKIFJ-ZSOIEALJSA-N 482.483 4.296 50 10 JIGE O=C(NNc1ncnc(Nc2cc(Cl)cc(Cl)c2)c1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] 40588061 SUXCNKIPXDKCDK-UHFFFAOYSA-N 464.225 4.100 50 10 JIGE CCCCCCCC(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1 100171118 ZYGHZYGHLRAMJS-UHFFFAOYSA-N 454.596 4.243 50 10 JIGE CCC[C@@H](Br)CNS(=O)(=O)c1cc(Br)c(C)cc1Br 134636334 PKHHXWZOYCYUCP-SECBINFHSA-N 478.044 4.362 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CCCC[C@H]1CBr 232474705 JYJPBSLAGGKMGH-JTQLQIEISA-N 486.973 4.443 50 10 JIGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)C(=O)Nc2cccc(C)c2)cc1 254399603 HRUQYBJSTWOWFV-UHFFFAOYSA-N 481.508 4.465 50 10 JIGE CCOc1cc(C=NNC(=O)CNc2cccc(C)c2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 254521078 LWSUNSNRKYLNAE-UHFFFAOYSA-N 476.489 4.083 50 10 JIGE O=C(CNc1ccccc1Cl)NN=Cc1ccc(C=NNC(=O)CNc2ccccc2Cl)cc1 254698644 SBBDLNPYZNTXEK-UHFFFAOYSA-N 497.386 4.118 50 10 JIGE C[C@@H]1CCC[C@@](CBr)(NC(=O)c2ccc(I)c(O)c2)C1 300599011 IOKRPAAFCIKWOA-MEBBXXQBSA-N 452.130 4.070 50 10 JIGE O=S(=O)(c1cc(CCl)sc1Br)N1CC[C@H](OCc2ccccc2)C1 383971096 DYKWTQHIHKGNFP-ZDUSSCGKSA-N 450.807 4.229 50 10 JIGE C[C@@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2S(=O)(=O)c1cc(Cl)c(Br)s1 686174689 GXWBZGFNRVTBNE-BDNRQGISSA-N 463.644 4.489 50 10 JIGE C[C@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2C(=O)c1cccc(F)c1I 721679113 MVBOUSQOMLJAAR-IZWKTGJZSA-N 452.105 4.207 50 10 JIGE C[C@@H]1CN(C(C)(C)CNC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)C[C@@H](C)O1 843987300 COYNVHCTCRFSFT-WQQBQYIPSA-N 495.027 4.028 50 10 JIGE CC(=O)N(c1ccc(Cl)cc1)c1nc(C=NNC(=O)CN2CCCc3ccccc32)cs1 917536391 UHWPXARDLNWUDT-UHFFFAOYSA-N 467.982 4.384 50 10 JIGE C=CCc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(Br)c1OCC(=O)OC 1084103112 IRVVLXAGMNNVHR-UHFFFAOYSA-N 471.307 4.240 50 10 JIGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(C)n(-c3cc(C(=O)O)ccc3C)c2C)cc1 1084453963 SLERMODNTLWKJE-VWLOTQADSA-N 477.561 4.463 50 10 JIGE CC(=O)N(Cc1ccc(NC(=O)NNC(=O)c2cc(C)n(-c3ccccc3)c2C)cc1)C1CC1 1623117149 GCFKIMYTWXJECM-UHFFFAOYSA-N 459.550 4.072 50 10 JIGE COc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)Nc3ccc4c(c3)OCCO4)c(C)c21 1772745850 KBCKSTQXRIWNMS-UHFFFAOYSA-N 475.501 4.091 50 10 JIGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)ccc1O 1865681116 FJIVHVUWEJZNQM-GOSISDBHSA-N 474.414 4.412 50 10 JIGE COc1ccc(-c2nn(CC(C)C)c3c2[C@H](c2cc(OC)c(OC)c(OC)c2)C(C#N)=C(N)O3)cc1 1865692004 HEUOGLUSDOCCEH-JOCHJYFZSA-N 490.560 4.459 50 10 JIGE COc1ccc([N+](=O)[O-])c(C(=O)NNC(=O)c2ccc(-c3ccc(Cl)cc3Cl)nc2C)c1 1865759779 RQEQINZPFBXUJZ-UHFFFAOYSA-N 475.288 4.355 50 10 JIGE CC1([C@H](CBr)NC(=O)c2cc(I)ccc2Br)CC1 2033130444 QTUXIQWEOQUQMT-NSHDSACASA-N 486.973 4.347 50 10 JIGE O=C(N[C@@H]1C[C@H](CBr)[C@@H]2C[C@H]12)c1cc(Br)sc1Br 2048006814 XRPBXKPBHAJKON-UTSKPXGSSA-N 458.013 4.422 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CCCC[C@@H](Br)C1 2050107559 GFULOQUSXSEGSP-SECBINFHSA-N 486.973 4.443 50 10 JIGE O=C(NCC1(F)CCC(CBr)CC1)c1cccc(I)c1 2178580651 FQTPZGZBKOLWAB-UHFFFAOYSA-N 454.121 4.314 50 10 JIGE O=C(c1cc(Br)cc(C(F)(F)F)c1)N1C[C@H](Br)[C@@H](Br)C1 2196128825 AMYRLGQOAWGEGA-UWVGGRQHSA-N 479.916 4.451 50 10 JIGE O=C(N[C@H]1C[C@H]2C[C@H]1C[C@@H]2Br)c1ccc(Cl)c(I)c1 2268351237 KUIZOUVJXDKHLR-QYTUQVAYSA-N 454.533 4.236 50 10 JIGE COc1ccc([C@@H](Cl)c2c(Br)nn(C)c2C)cc1I 2269557901 WSCFFSJHAQAOIL-GFCCVEGCSA-N 455.521 4.432 50 10 JIGE CCOc1cc(C=C(C#N)S(=O)(=O)c2ccccc2)c(Br)cc1OC(C)=O 2295727137 ATJOUVUXXOKZIZ-UHFFFAOYSA-N 450.310 4.111 50 10 JIGE CN(C[C@H]1C[C@H](Br)C1)C(=O)CC[C@H](NC(=O)OCc1ccccc1)C(F)(F)F 2311276925 SQHGGMFBCSXTPW-JYJNAYRXSA-N 465.310 4.256 50 10 JIGE COc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1c(C)cccc1C 2314737471 NSWBYHRMIKGCKE-UHFFFAOYSA-N 460.486 4.113 50 10 JIGE CCCOc1ccccc1C=C(C#N)C(=O)Nc1sc2c(c1C(=O)OC)[C@H](C(=O)OC)CC2 2314773797 BSMYYDIJPRADON-MRXNPFEDSA-N 468.531 4.072 50 10 JIGE COC(=O)c1ccc2c(O)nc(C(C#N)=Cc3ccc(OC(=O)c4ccccc4)c(OC)c3)nc2c1 2331046407 RIQPMCQFZJBJRU-UHFFFAOYSA-N 481.464 4.414 50 10 JIGE O=C(NC[C@@H](CBr)C1CCC1)c1ccc(Cl)cc1I 2340064100 NWBSHDVANXVUMS-SNVBAGLBSA-N 456.549 4.486 50 10 JIGE ClC[C@@H](C[C@H]1CCCO1)NCc1ccc(I)c(Br)c1 2349858240 VNEWXMCGTDSISM-VXGBXAGGSA-N 458.565 4.320 50 10 JIGE O=C(CCCC[C@H]1CCSS1)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 12919225 VAGKMSIUXIEINF-BRFSQIRFSA-N 496.701 4.447 50 10 JIGE CCc1ccc(OCC(=O)NNC(=O)c2ccc(OCCc3ccccc3)cc2)c(Br)c1 14041612 UNQFILZHHVLKNX-UHFFFAOYSA-N 497.389 4.473 50 10 JIGE CC(C)COc1ccc(C(=O)NNC(=O)COc2ccc3ccccc3c2)cc1Br 14652939 DBGRQFGIBQDKPK-UHFFFAOYSA-N 471.351 4.477 50 10 JIGE COc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C(/C)c3ccc(OC(F)F)cc3)c2)cc1 33587434 WPMYBVGKZTWKAR-YSMPRRRNSA-N 489.500 4.251 50 10 JIGE COc1cc(/C=N/NC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3)c2)cc(OC)c1OC 97729831 IPBCOYMJMLUWOP-VULFUBBASA-N 467.909 4.382 50 10 JIGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C(C)C)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 101333745 LWQUYKSMTGYAHQ-CIAFOILYSA-N 497.511 4.457 50 10 JIGE CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)C[C@H]1O[Si](C)(C)C(C)(C)C 195803806 DKEAALKCPSPQCU-RYRKJORJSA-N 456.732 4.236 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CCC[C@H](Br)C1 232468063 ADQOCJAYIMWEGN-QMMMGPOBSA-N 472.946 4.053 50 10 JIGE O=C(c1cc(Br)ccc1I)N(CCCl)CC(F)(F)F 236126637 AAQOVAKLVAIICJ-UHFFFAOYSA-N 470.454 4.297 50 10 JIGE COc1cc(C=NNC(=O)c2sccc2C)ccc1Cn1nc(C)c(Br)c1C 252634458 WNYUIEFXUJOSBW-UHFFFAOYSA-N 461.385 4.453 50 10 JIGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccccc3OC)cc2OCC)cc1 254349781 YTPZIXYPQRIZNY-UHFFFAOYSA-N 492.528 4.241 50 10 JIGE COc1cc(C(=O)Oc2ccccc2C=NNC(=O)COc2ccc(C)c(C)c2)cc(OC)c1OC 254623846 KQHBSBQHVIYFJB-UHFFFAOYSA-N 492.528 4.078 50 10 JIGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc([N+](=O)[O-])cc3)cc2)cc1 254669249 QNPIPPJMGDYBSP-UHFFFAOYSA-N 477.473 4.132 50 10 JIGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)CNC(=O)c2ccccc2C)cc1 254708099 WASQASZEZARJEA-UHFFFAOYSA-N 495.535 4.256 50 10 JIGE C[C@H](NC(=O)c1ccc(I)c(Br)c1)C1(CBr)CC1 721615710 DFGNQGWDBNRPDX-QMMMGPOBSA-N 486.973 4.347 50 10 JIGE N#CCCn1cc(/C=C(/C#N)C(=O)N2CCC[C@@H](c3cc[nH]n3)C2)c(-c2ccc(Cl)cc2)n1 726529071 HIRWADIYHUNYCS-ZJYZBMPFSA-N 459.941 4.153 50 10 JIGE CC(C)c1nc(C(=O)NNC(=O)c2cccc3cccnc23)nn1-c1c(Cl)cccc1Cl 728862980 BFMUZERCQWSNDP-UHFFFAOYSA-N 469.332 4.321 50 10 JIGE CCOc1cc(C=NNC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)/C=C\c1ccccc1 1084305972 WVKOQUFKMMOCLB-PWIYXAOOSA-N 459.458 4.376 50 10 JIGE Nn1c(SCCCC(=O)NN=Cc2cccc(Oc3ccccc3)c2)nnc1-c1ccccc1O 1084573768 UFLXUSVNNZPMEY-UHFFFAOYSA-N 488.573 4.179 50 10 JIGE C=C[C@@H]1OCC[C@H]1CNC(=O)NNC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1 1470582694 YYKUKCCDHSTZAN-ZCYQVOJMSA-N 471.557 4.468 50 10 JIGE C[C@](CCl)(NC(=O)c1cc(I)ccc1Br)C(F)F 2043177347 SXYXTXFWPLWSIF-LLVKDONJSA-N 452.464 4.046 50 10 JIGE C[C@H](CCCCCI)NC(=O)c1cccc(I)c1 2054162427 RIIKWSYARBZMEJ-LLVKDONJSA-N 471.120 4.405 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CN(C(=O)OC(C)(C)C)C[C@@]2(CCCO2)C1 2061268598 WSOHWFVWLMPEMZ-VGOFRKELSA-N 491.720 4.041 50 10 JIGE CC[C@H](C)[C@@H](CI)NS(=O)(=O)c1ccc(Cl)c(Br)c1 2136493085 YEAQUPUUJMCDCV-QPUJVOFHSA-N 480.593 4.231 50 10 JIGE O=C(Cc1ccccc1I)NC[C@H]1CCCC[C@H]1CBr 2143868613 PXEKSMXRCHJKBF-UONOGXRCSA-N 450.158 4.151 50 10 JIGE CC1(CNS(=O)(=O)c2ccc(CBr)cc2)CCN(Cc2ccccc2)CC1 2156026604 DINXXQXXONQYQR-UHFFFAOYSA-N 451.430 4.162 50 10 JIGE O=C(NC[C@@H]1CCCC[C@@H]1CBr)c1cc(I)ccc1F 2169661803 HPNIUUCRDDPRBM-MNOVXSKESA-N 454.121 4.361 50 10 JIGE CCCC(CBr)(CCC)Cn1cnc2c(I)ncnc21 2177731244 FEFCHRAKZBMJET-UHFFFAOYSA-N 451.150 4.412 50 10 JIGE CCN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(C)c(CBr)c1 2179786862 GZIGWFUUVZQQGB-HXUWFJFHSA-N 451.430 4.175 50 10 JIGE CN(C[C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(CBr)c(Cl)c1 2179790919 KLGBRNZXOAOAOV-QGZVFWFLSA-N 471.848 4.378 50 10 JIGE Cc1csc(CBr)c1S(=O)(=O)N1CC[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 2179815155 KBMGNKIPVCHUIK-MSOLQXFVSA-N 469.470 4.094 50 10 JIGE Fc1cc2c(cc1I)nc(CCl)n2C[C@@H]1COCCN1Cc1ccccc1 2194650049 PMNZGYPBNMBJDW-OAHLLOKOSA-N 499.755 4.420 50 10 JIGE CC1(C)[C@@H](Br)CC[C@H]1NS(=O)(=O)c1cc(Br)ccc1Br 2207103591 XNMJJPXDXGSCRD-NWDGAFQWSA-N 490.055 4.442 50 10 JIGE CN1CCC[C@H](CO[C@@](C)(CI)c2ccccc2Br)C1 2236059104 AOMXHKJSMFTMPO-BBRMVZONSA-N 452.174 4.458 50 10 JIGE CS(=O)(=O)c1csc([C@@H](Br)c2c(F)cccc2I)c1 2267736495 IMIVQLHERPOXHV-GFCCVEGCSA-N 475.142 4.380 50 10 JIGE N#CC(=Cc1cc2c(cc1Br)OCO2)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 2297306967 OAEWIHIVVLOHAE-UHFFFAOYSA-N 450.632 4.285 50 10 JIGE CCCOc1ccccc1C=C(C#N)C(=O)Nc1sc2c(c1C(=O)OC)[C@@H](C(=O)OC)CC2 2314773796 BSMYYDIJPRADON-INIZCTEOSA-N 468.531 4.072 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1CCC2CC1(CBr)C2 2336443861 BTOFKMIRQPCAAG-UHFFFAOYSA-N 454.533 4.334 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@H]2CC[C@H]1C[C@H]2Cl 2337152813 HDPCUPILOKQJDQ-UBHAPETDSA-N 454.533 4.286 50 10 JIGE Cc1ccc(C)c(O[C@@H](C)C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)c1 14008722 QQEBMYLJMIRDPY-INIZCTEOSA-N 477.399 4.357 50 10 JIGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)[C@H](C)Oc3ccccc3Cl)cc2)c1 14026829 HBATVDWQKXOHKI-INIZCTEOSA-N 451.910 4.129 50 10 JIGE O=C(NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)c1cccc(OCc2cscn2)c1 21770001 SPLHTAVJOLQRIN-UHFFFAOYSA-N 496.552 4.045 50 10 JIGE COc1cccc(Nc2ncnc(NNC(=O)C(c3ccccc3)c3ccccc3)c2[N+](=O)[O-])c1 40586900 WZOWHCHFJCZHHG-UHFFFAOYSA-N 470.489 4.412 50 10 JIGE Nc1c(NNC(=O)c2ccccc2Br)ncnc1Nc1ccc(C(F)(F)F)cc1 40785008 FEGJXJSKXWQPJK-UHFFFAOYSA-N 467.249 4.341 50 10 JIGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(Cl)c(C)c2)c(OC)c1 40987264 MPHOJKMOFSBOJU-LDADJPATSA-N 456.926 4.465 50 10 JIGE COCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccc(F)cc3)c(OC)c2)C1=O 101335828 YKHLGCZFSLODRO-FYJGNVAPSA-N 464.493 4.042 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1CCC(CBr)CC1 124835655 KYYHRHSRIIXPFZ-UHFFFAOYSA-N 476.028 4.007 50 10 JIGE COCCCNC(=O)c1cc2ccc(OC(=O)/C(C#N)=C\c3ccc(C(C)C)cc3)cc2oc1=O 206543084 JAWYYLAHQHOYMV-BKUYFWCQSA-N 474.513 4.195 50 10 JIGE COc1cc(/C=C(/C#N)C(=O)N2CCOCC2)ccc1OC(=O)CCc1ccc(C(C)C)cc1 207237278 ZTOVVFFMLXWVGS-KQWNVCNZSA-N 462.546 4.123 50 10 JIGE COc1ccc(Br)cc1C=NNC(=O)[C@H](C)Oc1ccc(Br)cc1 254479967 CCAUPFZNWQOHBX-NSHDSACASA-N 456.134 4.138 50 10 JIGE C[C@@H]1CN(C(=O)c2cc(I)ccc2Br)C[C@]1(C)CCl 694698857 CKWOSEBQXFDEFQ-OTYXRUKQSA-N 456.549 4.391 50 10 JIGE O=S(=O)(Nc1ccc(I)cc1F)c1ccc(CBr)cc1 697784275 PSUSQYQFWAPGSU-UHFFFAOYSA-N 470.101 4.126 50 10 JIGE Cc1ccc(Cl)cc1NC(=O)C(=O)NN=Cc1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 725438653 BXIZAYWZPKRPCT-UHFFFAOYSA-N 499.354 4.408 50 10 JIGE CC[C@@H]1CCCCN1C(=O)[C@H](C)OC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1 761399792 CPTUBAFQEVHTTC-ZEKZBRRBSA-N 459.550 4.094 50 10 JIGE CC(=O)Oc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N3CCN(c4ccccc4)CC3)c2C)cc1 1084298988 BZEIWNHBSSOORU-HKOYGPOVSA-N 468.557 4.275 50 10 JIGE C=CCOc1ccc(C=NNC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc1 1084353716 CSWTYLUVQDHXHS-UHFFFAOYSA-N 483.977 4.250 50 10 JIGE CCOc1ccc(C(=O)NN=Cc2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1 1084380593 ZVHFIYMNWCMRER-UHFFFAOYSA-N 450.407 4.458 50 10 JIGE COc1ccc(/C(C#N)=C/c2ccc(OC(=O)CNC(=O)c3ccccc3)c(OC)c2)cc1OC 1615065978 CIAOKOHFLMGDEB-FYJGNVAPSA-N 472.497 4.112 50 10 JIGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1cc(Cl)c(O)c(OC)c1)C(C#N)=C(N)O2 1865707011 LPAFJCFCVHYJIX-HXUWFJFHSA-N 466.925 4.419 50 10 JIGE COc1ccc(/C=N/NC(=O)[C@H](C)NC(=O)OC(C)(C)C)cc1OCc1ccc(Cl)cc1 1873793744 WLVMMBYUXUREAS-SQAVSUBZSA-N 461.946 4.291 50 10 JIGE CSCC[C@@H](Br)CCNC(=O)c1cccc(F)c1I 2090386930 FERIHNLFFPCKLQ-VIFPVBQESA-N 460.150 4.067 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@@H](Br)[C@H](C2CC2)C1 2090685505 PMEGCEDTJCIUDM-NWDGAFQWSA-N 498.984 4.299 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1CC[C@@H]2[C@@H](CBr)[C@@H]2C1 2093139089 ZNKASWQZJWGAAM-GMTAPVOTSA-N 454.533 4.048 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCNCc1cc2c(cc1Br)OCO2 2125294159 SEUBHZSDMUHPJW-UHFFFAOYSA-N 465.435 4.174 50 10 JIGE C[C@@H](Br)C12CCC(CC1)N2C(=O)c1ccc(F)cc1I 2153387249 WHDJNNHQKGUYKM-IWPPJYEWSA-N 452.105 4.351 50 10 JIGE O=C(c1ccc(F)cc1I)N1[C@H](CBr)C[C@H]2CCC[C@H]21 2164656365 MHSRLAWCKFDNAX-OLUVUFQESA-N 452.105 4.208 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2CC=C(CBr)CC2)cc1Br 2171017686 YNVJLGORZILEJY-UHFFFAOYSA-N 488.039 4.236 50 10 JIGE CCCOc1ccc(S(=O)(=O)N(C)CCOCc2ccccc2)cc1CBr 2179833674 DJQOWVJCOVKKHA-UHFFFAOYSA-N 456.402 4.208 50 10 JIGE O=C(NC[C@@H]1CC[C@@H](CBr)CO1)c1csc(Br)c1Br 2264717148 KEZPZWVWBQDRRO-YUMQZZPRSA-N 476.028 4.193 50 10 JIGE CC(C)[S@](=O)(=NCC1(CBr)CC(F)C1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2265637619 CTRKNNGXNJVVRW-BUCUWUIYSA-N 455.434 4.385 50 10 JIGE O=C(NC[C@@H]1CCCC[C@@H]1CBr)c1c(F)cccc1I 2282811473 YVRYQSPVCKMHSK-MNOVXSKESA-N 454.121 4.361 50 10 JIGE O=C(CCCN1C(=O)C(=Cc2ccccc2Cl)SC1=S)NNC(=O)c1cccc(Cl)c1 2296173555 OUFINFWQDPZCFA-UHFFFAOYSA-N 494.425 4.436 50 10 JIGE CCN(C[C@](C)(CI)OC[C@H]1C[C@@]12CC2(F)F)C(=O)OC(C)(C)C 2307350028 CRFOCCZYVOUEKS-UHOFOFEASA-N 459.315 4.499 50 10 JIGE COc1cccc(NC(=O)C(C#N)=Cc2c(Oc3ccccc3F)nc3c(C)cccn3c2=O)c1 2314532521 JYPVDCKETOGQRT-UHFFFAOYSA-N 470.460 4.489 50 10 JIGE CCOc1cc(C=NNC(=O)Cc2cc(Cl)ccc2SCC)cc([N+](=O)[O-])c1OC 2323679865 IBBRUECWEVHJJD-UHFFFAOYSA-N 451.932 4.460 50 10 JIGE O=C(N[C@H]1C[C@@H](CCl)[C@H]2C[C@@H]12)c1ccc(I)c(Br)c1 2329878488 ZPVXUNBQXUXRCD-WTBMIXGQSA-N 454.533 4.047 50 10 JIGE O=C(c1cc(Br)sc1Br)N1CC2(CC[C@H](CBr)O2)C1 2336737660 HZKWWHQUJKSPLS-SSDOTTSWSA-N 474.012 4.042 50 10 JIGE Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)S(=O)(=O)c2ccc(C)cc2)cc1 2406478 LBCGCLNTOPRYTK-QNGOZBTKSA-N 457.511 4.442 50 10 JIGE Cc1ccccc1[C@H]1C(C#N)=C(N)NC(SCC(=O)c2ccc(Br)cc2)=C1C#N 4397010 QAUIOTVYNDJFSC-FQEVSTJZSA-N 465.376 4.489 50 10 JIGE Cn1cc(Br)cc1C(=O)NNC(=O)c1ccc(-c2nc3ccccc3s2)s1 24233347 SUGZFDPZGOHASL-UHFFFAOYSA-N 461.366 4.201 50 10 JIGE COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C(\C#N)S(=O)(=O)c1ccc(C)cc1 33588009 JRDKEHAGVFOKRF-HMMYKYKNSA-N 487.537 4.451 50 10 JIGE COc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OC)c1OC 38658714 NWLQKZJMKQNRPJ-HSZRJFAPSA-N 458.470 4.150 50 10 JIGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(OC)cc4)ccc32)cc1 38685960 AEORRMGRXHIVDP-SANMLTNESA-N 456.498 4.460 50 10 JIGE COc1cc(OC)c(Nc2ncnc(NNC(=O)c3cccc4ccccc34)c2N)cc1Cl 40793304 RDKIXIVRRTWDHF-UHFFFAOYSA-N 464.913 4.383 50 10 JIGE CCOCCCNC(=O)/C(C#N)=C\c1c(Oc2ccc(Cl)c(C)c2)nc2c(C)cccn2c1=O 102684406 ORRAETAMWMOBOM-JXAWBTAJSA-N 480.952 4.207 50 10 JIGE Cc1c(C(=O)NNC(=O)c2cc(C3CC3)nc3c2c(C)nn3-c2ccccn2)oc2ccccc12 109154439 QNEXRLRWMHNCQW-UHFFFAOYSA-N 466.501 4.131 50 10 JIGE CCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc3cc(C(=O)N[C@@H](C)CC)c(=O)oc3c2)cc1 206544405 MUFOAPLLWYBFCT-JJBLJPBOSA-N 460.486 4.233 50 10 JIGE CN(C[C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(CCl)ccc1Br 383187580 RWUKTHYOEMECSV-SFHVURJKSA-N 471.848 4.331 50 10 JIGE Cc1occc1C(=O)NC1CCN(C(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(F)cc3)c2C)CC1 727333488 UYCAHRUFFAWRDE-RCCKNPSSSA-N 474.536 4.463 50 10 JIGE N#C/C(=C/c1cnn2ccccc12)S(=O)(=O)c1cc(Br)ccc1Br 729641520 LHUKKDDQEYNFCE-QPEQYQDCSA-N 467.142 4.198 50 10 JIGE CC(=NNC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1)c1ccc([S@](=N)(=O)O)cc1 916272767 DCPPIUHMGIPVBF-UHFFFAOYSA-N 453.549 4.428 50 10 JIGE COc1ccc(N([C@@H](C)C(=O)NN=Cc2cc(C)n(-c3c(C)cccc3C)c2C)S(C)(=O)=O)cc1 1084453957 ROXRURAEIZBQAA-NRFANRHFSA-N 496.633 4.024 50 10 JIGE C=CCN(c1ccc(C(=O)NN=Cc2ccc(Cl)cc2)cc1)S(=O)(=O)c1ccccc1 1084556304 TYMBTWLUUHMSEI-UHFFFAOYSA-N 453.951 4.485 50 10 JIGE COC(=O)c1[nH]c2cc(OC)cc(OC)c2c1/C=N/NC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 1873498407 KHBKOJUEKNIAFF-UVHMKAGCSA-N 474.517 4.096 50 10 JIGE O=S(=O)(N[C@@H](CCCl)C(F)(F)F)c1cc(Br)ccc1Br 1918531869 AVJAVJOJXKCEOS-VIFPVBQESA-N 459.509 4.050 50 10 JIGE C[C@H]1C[C@H](CBr)CN1S(=O)(=O)c1cc(Br)ccc1Br 2100319082 UKMQGFJKHYKQLZ-DTWKUNHWSA-N 476.028 4.006 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1[C@H]2CC[C@H]1[C@@H](CCl)C2 2100996725 LTEIAXBWJVIUPR-NRUUGDAUSA-N 454.533 4.286 50 10 JIGE Brc1ccc(Br)c(CC[C@@H](Br)CN2CCOCC2)c1 2118523692 BFHCTNDQLZQDNA-CYBMUJFWSA-N 456.016 4.240 50 10 JIGE O=C(N[C@@H](CBr)c1cscn1)c1cc(Cl)ccc1I 2119038628 JWOPDADJIAOCQZ-JTQLQIEISA-N 471.545 4.267 50 10 JIGE O=C(c1ccccc1I)N1C[C@]2(F)CCC[C@]2(CBr)C1 2176630076 KGRBKERWCSLWSN-LSDHHAIUSA-N 452.105 4.021 50 10 JIGE Cc1cc(S(=O)(=O)N(C)C2CCN(Cc3ccccc3)CC2)ccc1CBr 2179774172 CMGFQKPRZMVFAO-UHFFFAOYSA-N 451.430 4.175 50 10 JIGE CC1(C)C[C@@H](N(Cc2ccccc2)S(=O)(=O)c2ccc(F)c(CBr)c2)CO1 2179786829 GRLNPZBNTFRURJ-QGZVFWFLSA-N 456.377 4.479 50 10 JIGE C[C@@H](Br)C[C@@H]1COCCN1C(=O)c1cccc(Br)c1Br 2185313400 QQMCQSBIIJDQPM-NXEZZACHSA-N 469.999 4.226 50 10 JIGE O=C(c1cc(I)ccc1Br)N1[C@H]2CC[C@H]1[C@H](F)[C@@H](Cl)C2 2190671995 XRWVFMFGRBJKHB-ZBPZKIAKSA-N 472.523 4.376 50 10 JIGE Fc1cc2c(cc1I)nc(CCl)n2C[C@H]1COCCN1Cc1ccccc1 2194650048 PMNZGYPBNMBJDW-HNNXBMFYSA-N 499.755 4.420 50 10 JIGE CN1CCC[C@@H](CO[C@](C)(CI)c2ccccc2Br)C1 2236059109 AOMXHKJSMFTMPO-CZUORRHYSA-N 452.174 4.458 50 10 JIGE COc1ccc(CCO[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2Br)c(Br)c1 2317132083 IVNVDIHDRTTZEB-HOTGVXAUSA-N 479.209 4.400 50 10 JIGE CN(C[C@H]1C[C@@H](Br)C1)[C@@H](CN)c1sc(Cl)cc1I 2318483712 YOIMIWPBDDSSRE-XKSSXDPKSA-N 463.610 4.111 50 10 JIGE N#CC(=CNCCc1ccccc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324599143 DTXZKCDERRPBDI-UHFFFAOYSA-N 450.586 4.160 50 10 JIGE COc1ccc(C=C(C#N)C(=O)Nc2nc(C)c(C(=O)OCc3ccccc3)s2)cc1OC 2329703404 PEOGZBFXSVEZJB-UHFFFAOYSA-N 463.515 4.371 50 10 JIGE O=C(c1cc(Br)ccc1I)N1[C@H]2CC[C@H](C2)[C@@H]1CBr 2330985420 VWIXRNKKYGATKX-DVYJOKAKSA-N 498.984 4.442 50 10 JIGE COC[C@]1(CBr)C=CCN1C(=O)c1ccc(Br)cc1Br 2379849098 FTUDXJSIMFNXCG-CQSZACIVSA-N 467.983 4.004 50 10 JIGE C=CCNC(=O)/C(C#N)=C\c1ccc(OC(=O)COc2cc(Cl)ccc2Cl)c(OC)c1 34897412 DVAVGAGNGVHFRL-DHDCSXOGSA-N 461.301 4.196 50 10 JIGE Cc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)o1 38659389 LFUIXXGXMWPRLP-INIZCTEOSA-N 492.356 4.486 50 10 JIGE COc1ccc(Cl)cc1Nc1ncnc(NNC(=O)c2ccc(Br)cc2)c1[N+](=O)[O-] 40589710 DTPAVGAYJYDWSS-UHFFFAOYSA-N 493.705 4.310 50 10 JIGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)NNC(C)(C)C)c(C)c43)coc2c1 40827047 ZNXAATXFELZUIV-OVVQPSECSA-N 464.566 4.383 50 10 JIGE COc1ccc(Cl)cc1C(=O)Nc1ccccc1C(=O)N/N=C(\C)c1ccc(O)cc1O 103548417 FHDFNZOCSXRPDR-LGJNPRDNSA-N 453.882 4.166 50 10 JIGE C[Si](C)(C)OC[C@@H]1OC(=O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C 195782937 VNGTZLYNGGLPIZ-QAETUUGQSA-N 466.872 4.424 50 10 JIGE CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)/C=C\c2ccc(Cl)c(C(F)(F)F)c2)cc1 212763230 UNZVQLOPWNQXCE-PTJCHJMSSA-N 456.848 4.386 50 10 JIGE COCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c(C)c2)C1=O 214290080 XZTZHFPQWJTAAO-JLPGSUDCSA-N 496.567 4.485 50 10 JIGE CCOc1ccc(CCN/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1OCC 216789717 BMFBUIDYQCMHMB-ICFOKQHNSA-N 458.356 4.425 50 10 JIGE COc1cc([C@@H](Cl)c2cnn(C)c2I)c(OC)cc1Br 393647447 XPHVGKSHTMLJKM-GFCCVEGCSA-N 471.520 4.133 50 10 JIGE Cc1nnc(CC(CBr)(CBr)c2ccc(Br)cc2)n1C 689486224 BQQBEYQIYZIBGN-UHFFFAOYSA-N 466.015 4.156 50 10 JIGE O=C(N[C@H]1CCCC[C@@H]1Br)c1ccc(I)c(Br)c1 721570685 ASCXOSAEOBNECI-CABZTGNLSA-N 486.973 4.490 50 10 JIGE CS(=O)(=O)N(Cc1ccc(C(=O)NN=Cc2ccccc2Br)cc1)c1ccccc1 725388782 CSGVKRFVVGUCTO-UHFFFAOYSA-N 486.391 4.179 50 10 JIGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 1084377865 QOHQOYUDQNVNCV-NRFANRHFSA-N 464.434 4.259 50 10 JIGE C/C(=C\C(=O)NNC(=O)COc1ccccc1Br)c1ccc(C(F)(F)F)cc1 1438921474 XSFSTEDKGBEYDA-ZRDIBKRKSA-N 457.246 4.098 50 10 JIGE C/C(=C/C(=O)NNc1nc2ccccc2c(=O)n1CCCOC(C)C)c1ccccc1Cl 1444076066 FJTVZFXELOFAEV-ICFOKQHNSA-N 454.958 4.412 50 10 JIGE COC[C@H](C)NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772747319 NDQRRWACPZJYJX-KRWDZBQOSA-N 459.546 4.490 50 10 JIGE N#CSc1ccc(NC(=O)[C@@H](NC(=O)c2cccc(N3CCCC3=O)c2)c2ccccc2)cc1 1866611579 AHJIKAZFGKQBPP-DEOSSOPVSA-N 470.554 4.496 50 10 JIGE N#CSc1ccc(NC(=O)[C@H](NC(=O)c2cc(-c3cccnc3)[nH]n2)c2ccccc2)cc1 1867160508 WGOVKNJOHCGDHD-JOCHJYFZSA-N 454.515 4.155 50 10 JIGE CN(C)CCN(Cc1ccccc1)S(=O)(=O)c1cc(CBr)sc1Br 2009621983 LRWXMLLGXIPLJE-UHFFFAOYSA-N 496.290 4.158 50 10 JIGE CN(Cc1ccccc1)[C@@H]1CCN(S(=O)(=O)c2cc(CCl)sc2Br)C1 2034679131 PEWBFNNQLWDVKN-CQSZACIVSA-N 463.850 4.144 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1C[C@@H](CBr)C2(CC2)C1 2087791588 DGGWFWJIQVAVSD-SNVBAGLBSA-N 454.533 4.192 50 10 JIGE O=C(c1cc(Br)ccc1Br)N1CC[C@@H]2[C@@H](CBr)[C@@H]2C1 2093138094 QJNKSRVWAXYEMS-YUSALJHKSA-N 451.984 4.315 50 10 JIGE Cc1csc(CBr)c1S(=O)(=O)N(C)[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 2123238985 ZXWFOGWISNIZIX-DOTOQJQBSA-N 457.459 4.235 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)NC2CC(C)(CBr)C2)cc1Br 2175848153 JYMSTAXMQZAZQI-UHFFFAOYSA-N 490.055 4.362 50 10 JIGE O=C(N[C@@H](CCBr)C(F)(F)F)c1ccc(Cl)c(I)c1 2268349675 GULJEFLXRPISAY-VIFPVBQESA-N 470.454 4.390 50 10 JIGE Cc1cc(Br)c(-n2cc(COC[C@@H](C)Br)nn2)c(Br)c1 2295832477 FETSLRHSTVQUNS-SECBINFHSA-N 467.987 4.401 50 10 JIGE COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2c[nH]c3ccccc23)cc1OC 2297707911 YLNOHYVETQUGFJ-UHFFFAOYSA-N 468.513 4.106 50 10 JIGE C[C@@H]1[C@H](C(F)(F)F)N(CC(C)(C)CI)CCN1C(=O)OC(C)(C)C 2306817665 BOSMFUYKYYNYRB-VXGBXAGGSA-N 464.310 4.320 50 10 JIGE COc1cc(C=C(C#N)c2nc(O)c3ccccc3n2)ccc1OCC(=O)Nc1ccccc1 2314433565 PBDMEOBANFTLJY-UHFFFAOYSA-N 452.470 4.426 50 10 JIGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1ccc(C)c([N+](=O)[O-])c1 2314753203 KTEGAIMMMMUQEI-UHFFFAOYSA-N 475.457 4.338 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@H]2C[C@@H](CBr)[C@H]2C1 2330495556 GWEKIWBVNLOBSX-YGOYTEALSA-N 498.984 4.157 50 10 JIGE CC(C)[C@@H](Br)C(C)(C)CNC(=O)c1ccc(I)c(O)c1 2365856243 LDNPIIILOMEJKD-CYBMUJFWSA-N 454.146 4.172 50 10 JIGE C[C@H](Br)CC1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)[C@H]1C[C@H](OCc2ccccc2)C1 2367003104 WFIMBDYBAMTGFH-RZKXHJHZSA-N 456.446 4.481 50 10 JIGE C[C@@H](Br)CN(C(=O)c1ccc(I)c(O)c1)C1CCCC1 2368847937 UOVWHGWITJFTCS-SNVBAGLBSA-N 452.130 4.165 50 10 JIGE Cc1csc(C(=O)NNS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1Cl 2152693 YFJWPVDFVKFESL-UHFFFAOYSA-N 466.812 4.371 50 10 JIGE COc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccccc3OC)nc3c(C)cccn3c2=O)cc1 2401670 HDTSEJACJVWCLO-SDXDJHTJSA-N 482.496 4.358 50 10 JIGE COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(F)cc2)c1C 11459468 AAHVXFYYOGGPKO-WOJGMQOQSA-N 492.463 4.239 50 10 JIGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3ccccc3[N+](=O)[O-])cc2)cc1 12491991 CTHAFGPINNZVGO-UHFFFAOYSA-N 460.490 4.219 50 10 JIGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)cc1 12578903 GZDZLEUFHWXPPA-UHFFFAOYSA-N 472.328 4.394 50 10 JIGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1cccs1 14648655 IBPFHNVAYGIYFR-UHFFFAOYSA-N 484.441 4.419 50 10 JIGE CCOC(=O)c1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccoc2C)CCC3)cc1 40823501 OBIHLVYQOXGKIY-ZXVVBBHZSA-N 463.490 4.389 50 10 JIGE COc1ccccc1C=NNC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1 254382964 JHTBVRZVGJCYID-UHFFFAOYSA-N 465.575 4.164 50 10 JIGE O=C(CCl)c1cc(Br)cc(I)c1I 575684702 BYHCWOOTQSDBEY-UHFFFAOYSA-N 485.284 4.080 50 10 JIGE C[C@H]1CN(C(=O)c2cc(Br)ccc2I)C[C@@]1(C)CCl 694699214 GFMRUOVWUDEVCR-LKFCYVNXSA-N 456.549 4.391 50 10 JIGE COc1ccc(Cl)cc1NC(=O)COC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1 761414122 CZJFNEFAFURTNS-PDGQHHTCSA-N 489.919 4.215 50 10 JIGE COc1cc(C)ccc1C(=O)COC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1 791183162 FOGKYBIRZXTMMN-XSFVSMFZSA-N 454.486 4.114 50 10 JIGE CC(=NNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1)c1ccc(F)cc1 1084087051 SGYYRUHELMGPRQ-UHFFFAOYSA-N 453.539 4.178 50 10 JIGE CC(C)(C)[C@@H]1CCc2sc(C(=O)NNC(=O)[C@@H]3CCCN3C(=O)c3cccs3)cc2C1 1087356433 HTCIESYEGWNFGF-CVEARBPZSA-N 459.637 4.026 50 10 JIGE CN(Cc1nn(C)cc1Br)c1ccc(CBr)c(Br)c1 1912465607 UKJHEXPKVCUKET-UHFFFAOYSA-N 451.988 4.476 50 10 JIGE O=C(c1csc(Br)c1Br)N1CCSC[C@H]1CBr 1945189587 UOFRMEFXMDMVMH-ZCFIWIBFSA-N 464.042 4.226 50 10 JIGE O=S(=O)(c1cc(CBr)sc1Br)N1CC=C(Br)CC1 2059268347 XLUBCUNIEDOQEQ-UHFFFAOYSA-N 480.041 4.079 50 10 JIGE O=C(CCl)c1cc(I)c(Br)c(I)c1 2059980562 ZJZPUKIWYIQCRS-UHFFFAOYSA-N 485.284 4.080 50 10 JIGE Cc1cc(Br)c(-n2cc(COCCBr)nn2)c(Br)c1 2089827392 CKTGOIFAQVWXDY-UHFFFAOYSA-N 453.960 4.012 50 10 JIGE O=C(c1c(Br)cccc1Br)N1CC[C@@H]2[C@H](CBr)[C@H]2C1 2094100833 WJDVPLBVTJFAOE-UTLUCORTSA-N 451.984 4.315 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2C[C@@H](Br)C3(CC3)C2)cc1Br 2149756363 FMQMJNMJLJNBHZ-GFCCVEGCSA-N 488.039 4.068 50 10 JIGE CC(C)(C)OC(=O)N1C[C@H](CNC(=O)[C@H](Br)C2CCCC2)[C@H](C(F)(F)F)C1 2167035279 XIPIFMRUXCYBHN-BFHYXJOUSA-N 457.331 4.102 50 10 JIGE O=S1(=O)C[C@H](Cl)[C@@H](c2sc(Br)c(Br)c2Br)C1 2212201704 ZONFGGPAJNTWIN-IMJSIDKUSA-N 473.433 4.155 50 10 JIGE C[C@@H](CCl)CC1CN(C(=O)c2ccc(I)c(Br)c2)C1 2230536180 JMCJBDCXKOOBIK-SECBINFHSA-N 456.549 4.391 50 10 JIGE O=C(NC[C@H](CBr)C(F)(F)F)c1ccc(Cl)c(I)c1 2268350867 JZTDGFZKNJPCMR-ZETCQYMHSA-N 470.454 4.248 50 10 JIGE O=C(NC[C@@]1(CBr)CC12CCC2)c1c(F)cccc1I 2282804076 HBVYNJGZYMGSTD-HNNXBMFYSA-N 452.105 4.115 50 10 JIGE COc1cc(C=C(C#N)C(N)=O)ccc1OC(=O)COc1ccc(C(C)(C)c2ccccc2)cc1 2314737401 HKNHDYFHDBRJPE-UHFFFAOYSA-N 470.525 4.398 50 10 JIGE CC(C)Oc1cccc(C=NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1 2325903154 AOTGXELYIYESOF-JKSUJKDBSA-N 452.580 4.081 50 10 JIGE Cc1ccc([C@H](C(=O)NC2CCCCC2)N(C[C@H]2COc3ccccc3O2)C(=O)CCl)cc1 3036111 BHNZMWOUWPGLNT-SQJMNOBHSA-N 470.997 4.392 50 10 JIGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)CCCC(=O)OCCCc1ccccc1 14016857 DASPEAMSVGVMPO-MRXNPFEDSA-N 481.376 4.254 50 10 JIGE Cc1cc(Br)cc(C)c1O[C@@H](C)C(=O)NNC(=O)c1ccccc1Br 14643359 PUVTWLBOHKXTAP-LBPRGKRZSA-N 470.161 4.057 50 10 JIGE Nc1c(NNC(=O)c2ccc(Br)cc2)ncnc1Nc1ccc(Br)cc1F 40784528 OXVOLPYTHQDOAW-UHFFFAOYSA-N 496.138 4.223 50 10 JIGE CCCOc1ccc(Br)cc1/C=N/NC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1 48573012 GMWUWFMBZOLRHG-YSURURNPSA-N 487.181 4.425 50 10 JIGE COC(=O)c1ccc(-n2c(C)cc(/C=N\NC(=O)CC[C@H](O)c3ccccc3)c2C)cc1Cl 58890606 ZXOVHZKXXHGMDA-XKCSFVINSA-N 467.953 4.498 50 10 JIGE COCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccccc3F)c(OC)c2)C1=O 101335818 JGWPZNIRNIJRSL-DEDYPNTBSA-N 464.493 4.042 50 10 JIGE O=S(=O)(NC1(CBr)CCC1)c1c(Cl)cc(Br)cc1Cl 123305473 GZPCNEPARPLIKZ-UHFFFAOYSA-N 451.995 4.352 50 10 JIGE CO[C@@H]1CCC[C@H](OC2(CI)CCN(C(=O)OC(C)(C)C)CC2)C1 685992738 XWELVLLOMAFZTQ-CABCVRRESA-N 453.361 4.165 50 10 JIGE Cn1cc(Br)c([C@H](Br)c2cc3c(cc2Br)OCC3)n1 693051712 KTMGJXKFNWYKSJ-GFCCVEGCSA-N 450.956 4.364 50 10 JIGE O=S1(=O)CCC[C@@H]1[C@@H](Br)c1cc(Br)c(Br)s1 694698977 ICAOQZPPGBHZPL-SFYZADRCSA-N 453.015 4.286 50 10 JIGE O=C(Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1)NN(Cc1ccccc1)c1ccccc1 731402064 VAJRKUWWCIGXCQ-HSZRJFAPSA-N 465.575 4.383 50 10 JIGE Cc1ccc(-n2c(C)cc(C=NNC(=O)C(=O)Nc3cccc(Br)c3)c2C)cc1 1083889046 SXMBKSWSAYEJPX-UHFFFAOYSA-N 453.340 4.254 50 10 JIGE C=CCn1c(CCc2ccccc2)nnc1SCC(=O)NN=Cc1ccc(N(CC)CC)cc1 1084326866 BZDLOGKICBUCES-UHFFFAOYSA-N 476.650 4.338 50 10 JIGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2cc(Cl)ccc2OCC2CCC2)cc1 1668856784 PLJHFACTRIDZBP-HNNXBMFYSA-N 459.930 4.342 50 10 JIGE COc1ccc(OCC(=O)NNC(=O)c2ccc(-c3ccccc3OC)nc2C)c(C(C)(C)C)c1 1865759986 AZJFSTDKEAEAGM-UHFFFAOYSA-N 477.561 4.212 50 10 JIGE Cc1nc(Nc2ccc(SC#N)cc2)cc(N2CCNC(=O)[C@@H]2c2cn(C)c3ccccc23)n1 1868480846 VIBJAIFYGBIBGJ-DEOSSOPVSA-N 469.574 4.271 50 10 JIGE Cc1nc(S(=O)(=O)N(Cc2ccccc2)[C@H](CBr)C(C)C)c(Br)n1C 1915296231 RRMSHFPYJMJJSI-OAHLLOKOSA-N 493.265 4.101 50 10 JIGE CS(=O)(=O)C[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924575843 GTMJRTVVPPWKPY-GSVOUGTGSA-N 461.422 4.360 50 10 JIGE O=C(N[C@H](CBr)C(F)(F)F)c1csc(Br)c1Br 1945188845 CHJSHRIQCOHGBS-SCSAIBSYSA-N 459.907 4.329 50 10 JIGE C[C@@]1(CBr)CCCN1c1ncc(I)cc1Br 1988532251 DMMFZFQOUDPXES-NSHDSACASA-N 459.951 4.203 50 10 JIGE O=C(N[C@@H]1CC[C@H](CBr)C1)c1cc(Br)ccc1I 2029539132 YWXORFFYEFFTHY-WCBMZHEXSA-N 486.973 4.347 50 10 JIGE CN(c1ncc(I)cc1Br)[C@H](CCCl)C(F)(F)F 2069531659 LAQHZIVKZOBAST-MRVPVSSYSA-N 457.459 4.445 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CC2(CC2)C[C@H]1CCl 2099149080 ZIEFXUBMEOEZAC-JTQLQIEISA-N 454.533 4.287 50 10 JIGE O=S(=O)(CCC(CCl)CCl)Nc1ccc(I)cc1Cl 2104649211 KJVVTERKDNNPKZ-UHFFFAOYSA-N 456.560 4.170 50 10 JIGE CN(Cc1cn(C)nc1Br)c1ccc(CBr)cc1Br 2116624283 HNVFGDXWWRBVPT-UHFFFAOYSA-N 451.988 4.476 50 10 JIGE O=C(c1cc(Br)ccc1Br)N1C[C@H]2CC(Br)C[C@@H]2C1 2128654060 BCALLIFBGIHCRD-RKDXNWHRSA-N 451.984 4.457 50 10 JIGE CCN1CCC[C@H]([C@@H](Br)c2ccc(I)c(Cl)c2)S1(=O)=O 2145758645 KAQRBJZTZVQERH-OLZOCXBDSA-N 492.604 4.195 50 10 JIGE O=S(=O)(C1CC(OCc2ccccc2)C1)N1Cc2ccccc2[C@H](CBr)C1 2176229242 MNUHVCJDNFISLE-XEVCZEQESA-N 450.398 4.058 50 10 JIGE CC(C)(C)OC(=O)NCc1nc2c(s1)CCN(CCCCCI)C2 2214696032 KJIZOXIZNYBIDJ-UHFFFAOYSA-N 465.401 4.131 50 10 JIGE CCC[C@@H]1CN(C(=O)c2cc(C)ccc2I)C[C@@H]1CBr 2240903746 PBKVBWZRMKKAHO-OLZOCXBDSA-N 450.158 4.483 50 10 JIGE CC(C)(C)OC(=O)N1CCN(C=C(C#N)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 2325385091 NIFNCYWXNXOTRD-UHFFFAOYSA-N 458.868 4.257 50 10 JIGE C[C@@H]1CCCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)[C@@H]1CCBr 2364209923 XHYADQIGCRNISY-YLJYHZDGSA-N 499.471 4.058 50 10 JIGE Cc1ncnc(N2[C@H]3CC[C@H]2CC(C[C@H](C)Br)C3)c1I 2366972996 NYZZEJDSXQONJQ-XDTLVQLUSA-N 450.162 4.311 50 10 JIGE CCCOc1ccc(C(=O)NNC(=O)CCC(=O)Nc2cc(C)ccc2C)cc1Br 14647302 BDMBKSRDLCEELG-UHFFFAOYSA-N 476.371 4.035 50 10 JIGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)c1OC 38658828 OBKOIBBQPYPNCS-QFIPXVFZSA-N 473.441 4.049 50 10 JIGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)c1 38659849 JZGQUFYKMRTROR-BZQUYTCOSA-N 490.487 4.434 50 10 JIGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccccc4)ccc32)cc(OC)c1OC 38660646 UYBUYZXWGHHYPV-RUZDIDTESA-N 472.497 4.079 50 10 JIGE CCc1ccc(OCC(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2OC)cc1 40877661 YXYBFAJJQFBYAV-DEDYPNTBSA-N 460.486 4.058 50 10 JIGE COc1ccccc1NC(=O)C(=O)NN=Cc1ccc(OC(=O)c2cccc3ccccc23)cc1 254346066 BWKFUWBBPSBYGF-UHFFFAOYSA-N 467.481 4.156 50 10 JIGE COC(=O)c1ccc(COc2ccccc2C=NNC(=O)C(=O)Nc2cccc3ccccc23)cc1 254479784 YVZJPYIXWNHKTG-UHFFFAOYSA-N 481.508 4.294 50 10 JIGE FC(F)(F)Oc1cc(CBr)c(I)nc1Br 396182903 QMTYKJARAVHIOP-UHFFFAOYSA-N 460.813 4.242 50 10 JIGE COc1cc(C=NNC(=O)CNc2ccc(C)c(C)c2)ccc1OCc1cccc(C(=O)O)c1 1084171261 WBEPEZZRDCXECS-UHFFFAOYSA-N 461.518 4.151 50 10 JIGE Cc1c(C(=O)Nc2cccc([N+](=O)[O-])c2)oc2c1C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772748216 ZKAUPTBATVJQLT-UHFFFAOYSA-N 491.460 4.056 50 10 JIGE COc1ccc(NC(=O)COc2cccnc2NC(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1Cl 1858682934 RLCSARXPECCEJC-UHFFFAOYSA-N 490.831 4.419 50 10 JIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(C)cc2)cc(OC)c1OC 1865693101 ROCDSSDYZZRIAX-GOSISDBHSA-N 486.450 4.444 50 10 JIGE CCc1nn(Cc2ccccc2F)c2c1[C@H](c1cc(Br)cc(OC)c1O)C(C#N)=C(N)O2 1865695619 FDBJEFNCVDUQFC-LJQANCHMSA-N 499.340 4.328 50 10 JIGE CCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1cc(OC)c(O)c(OC)c1)C(C#N)=C(N)O2 1865714521 MHZQBQDVJGBHMD-LJQANCHMSA-N 452.898 4.029 50 10 JIGE Cc1ccc(C)c(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccc(O)c([N+](=O)[O-])c2)c1 1865714716 OGVYPUQSHRXBIH-GOSISDBHSA-N 485.422 4.399 50 10 JIGE C[C@@]1(CBr)CCN1C(=O)c1cc(I)ccc1Br 1947977482 NSLQEXDQDBWHNB-LBPRGKRZSA-N 472.946 4.053 50 10 JIGE CC(C)(C)OC(=O)N1CCOC2(CCC3(CC2)CC[C@@](C)(CI)O3)C1 2040451462 OKOOHCVCZDVNKH-VIQWUECVSA-N 465.372 4.309 50 10 JIGE CC[C@@H](C)[C@H](CI)NC(=O)c1cccc(C)c1I 2081235450 GDRRAYXSQUNHEJ-SKDRFNHKSA-N 471.120 4.179 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CCCC[C@H]1CBr 2086146602 BVDSVFFBWLBPJQ-JTQLQIEISA-N 486.973 4.443 50 10 JIGE O=C(c1ccc(Br)cc1Br)N1C[C@@H](CBr)C2(CC2)C1 2087790674 SRRVBCJIBMARRL-SECBINFHSA-N 451.984 4.459 50 10 JIGE C[C@H]1CN(C(=O)c2cc(Br)c(Br)s2)C[C@@H](CCBr)O1 2122789626 LOOOXLWRDVSJNP-JGVFFNPUSA-N 476.028 4.288 50 10 JIGE O=S(=O)(c1ccc(CBr)cc1Cl)N1CC[C@@H](COCc2ccccc2)C1 2123209761 JFHOCSYEAQGUCM-QGZVFWFLSA-N 458.805 4.462 50 10 JIGE O=C(N[C@H]1C[C@@H](Br)C1)c1c[nH]c2cc(Br)c(Br)cc12 2126743559 NHYGDULVZRRDIN-KNVOCYPGSA-N 450.956 4.349 50 10 JIGE BrCc1cc(Br)cc(Br)c1OC[C@@H]1C[C@H]2OCC[C@H]2O1 2163233496 DHIVTDPKTYIYRY-CYZMBNFOSA-N 470.983 4.432 50 10 JIGE CN(C[C@@H](Br)C1CCCC1)C(=O)c1ccc(F)cc1I 2167646503 KQBSUGZAOHATNO-CYBMUJFWSA-N 454.121 4.456 50 10 JIGE Cc1cc(S(=O)(=O)N2C[C@H](C)N(Cc3ccccc3)C[C@H]2C)ccc1CBr 2179785797 QTXHNYSYGIREII-ZWKOTPCHSA-N 451.430 4.173 50 10 JIGE O=S(=O)(c1cc(CBr)cs1)N1CCC[C@@H]1[C@H]1CCN(Cc2ccccc2)C1 2179818699 CMUMNSRLFBXDOY-RBUKOAKNSA-N 469.470 4.318 50 10 JIGE O=S(=O)([C@@H]1CC[C@@H](CBr)C1)N1[C@H]2CCC[C@H]1CN(Cc1ccccc1)CC2 2179827091 AKSRNIBSLDGSRK-IVAOSVALSA-N 455.462 4.009 50 10 JIGE BrC[C@]12COC[C@H]1CN(Cc1cccc(Br)c1Br)C2 2226184355 GGUDOCGGJGAXAG-RISCZKNCSA-N 454.000 4.055 50 10 JIGE CCCOc1ccc(C=C(C#N)C(=O)OCCCN2C(=O)c3ccc(Br)cc3C2=O)cc1 2293202101 DAQSZGKDHLABQK-UHFFFAOYSA-N 497.345 4.374 50 10 JIGE O=C(N[C@@H]1C[C@@H](CBr)[C@H]2C[C@H]21)c1ccc(Br)cc1I 2333351040 NOSCAKRKTCKVCK-CTLRHGHPSA-N 498.984 4.203 50 10 JIGE CN(CC1CC(Br)C1)[C@H](CN)c1ccc(Cl)cc1I 2348275155 IAQMQPGAKHCBKG-RPFQZYLTSA-N 457.581 4.050 50 10 JIGE O=C(NNc1ncnc(Nc2ccc(Cl)c(Cl)c2)c1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 40591513 YBZBHDWMIUBUPW-UHFFFAOYSA-N 464.225 4.100 50 10 JIGE Cc1c(C(=O)N(C)Cc2ccccc2)oc2c1/C(=N/NC(=O)c1cncc(Br)c1)CCC2 40823111 CZWRNQZZVSUYKF-ZXVVBBHZSA-N 495.377 4.488 50 10 JIGE C#CCOc1c(Cl)cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1Br 58893845 CLXALPWSIQUEHI-PUDRWSQFSA-N 493.785 4.477 50 10 JIGE CC(=C\c1ccccc1)/C=C(/NC(=O)c1ccccc1)C(=O)N/N=C1/C(=O)Nc2ccc(C)cc21 100088755 SFBHLMGAUTVETR-KQJPFVROSA-N 464.525 4.185 50 10 JIGE CC(CCl)(CCl)NC(=O)c1cc(I)ccc1Br 232765166 ZCTCAALBOHGROO-UHFFFAOYSA-N 450.929 4.020 50 10 JIGE COc1cc(C=NNC(=O)c2cc3ccccc3cc2O)ccc1OCC(=O)N1[C@H](C)CCC[C@H]1C 254813448 MXKNCUFLVNVJLB-RTBURBONSA-N 489.572 4.486 50 10 JIGE Cc1nc(-n2cnc(I)c2I)c(Cl)cc1CCl 310359153 JJPHCDCOOBTHOF-UHFFFAOYSA-N 493.901 4.177 50 10 JIGE CC1(C)CN(C(=O)c2cc(I)ccc2Br)C[C@@H]1Br 387867615 JAISFWJHEADYHG-NSHDSACASA-N 486.973 4.299 50 10 JIGE O=C(CBr)c1c(I)ccc(OC(F)F)c1Br 575682708 ZRWGKTRCTRQAHW-UHFFFAOYSA-N 469.845 4.233 50 10 JIGE COc1ccc([C@@H](Br)c2c(Br)cnn2C)c(OC)c1Br 693083025 FSTHBDJWEYYPTO-SNVBAGLBSA-N 468.971 4.447 50 10 JIGE O=C(N[C@H](CBr)CC(F)(F)F)c1cc(Cl)ccc1I 717759982 NJEKENCPICDRMR-ZETCQYMHSA-N 470.454 4.390 50 10 JIGE FC(F)(F)c1cnc(N2CCS[C@@H](CBr)C2)c(I)c1 719992818 RITKDYUATYAUNQ-QMMMGPOBSA-N 467.092 4.022 50 10 JIGE CNC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3F)c2C)c1 853245019 HKQYJADKSSWCNX-LZAZYHHXSA-N 488.519 4.070 50 10 JIGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)cc1 1084008905 BOTNNARUDOYVNL-VWLOTQADSA-N 477.561 4.243 50 10 JIGE Cc1ccc(NC(=O)COc2ccc(C=NNC(=O)C(=O)Nc3ccc(Cl)c(Cl)c3)cc2)cc1 1084524352 DEAATKZVUYDAHW-UHFFFAOYSA-N 499.354 4.408 50 10 JIGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc3oc(CC(C)(C)C)nc3c2)cc1 1199983380 AINCOGBMDZAGIQ-HNNXBMFYSA-N 452.511 4.239 50 10 JIGE COC(=O)c1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1cccc(C)c1)CCC2 1772745345 YOMZJZNJONMMAA-UHFFFAOYSA-N 459.502 4.406 50 10 JIGE CCN(CC)c1ccc(/C=N/NC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)cc1 1860773086 PIRGEHNYLXUGTP-MZJWZYIUSA-N 459.575 4.122 50 10 JIGE COC(=O)c1ccccc1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3cccc(OC)c3)cs2)CC1=O 1872744461 SSOFMBYEIWXVKN-LTUQMTLXSA-N 475.526 4.451 50 10 JIGE Cc1cc(-c2csc(/C(C#N)=C(\O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n2)ccc1F 1873920876 LOTVNXLUYYMBPN-MNDPQUGUSA-N 464.434 4.255 50 10 JIGE Cc1cc(S(=O)(=O)N(C)C[C@@H](Cl)COCc2ccccc2)sc1Br 1916365253 VCMMFRFTXZNQPV-CQSZACIVSA-N 452.823 4.264 50 10 JIGE O=C(c1csc(Br)c1Br)N1CC[C@@H]2[C@H](CBr)[C@@H]2C1 2032953272 GJHINKVPMTXHDQ-GJMOJQLCSA-N 458.013 4.376 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CCCC[C@@H](Br)C1 2050109198 XVELSXYECXZWNF-SNVBAGLBSA-N 486.973 4.443 50 10 JIGE CCOc1cc(C(=O)CBr)c(I)cc1OC(F)(F)F 2055082805 LLDGNQZORJGLJA-UHFFFAOYSA-N 452.992 4.166 50 10 JIGE COC[C@@](C)(CCBr)NC(=O)c1cc(Br)cc(Br)c1 2101778629 YJWYLUVBQNJHBB-CYBMUJFWSA-N 457.988 4.132 50 10 JIGE C[C@]12CN(C(=O)c3cc(Br)cc(Br)c3)C[C@@]1(CBr)C2 2109182320 LFVTZXRZGLOBKJ-KBPBESRZSA-N 451.984 4.459 50 10 JIGE C[C@H]1[C@@H](C)N(S(=O)(=O)c2ccc(CBr)s2)C[C@@H](C)N1Cc1ccccc1 2123228971 GWBPAJJZUKUHOG-OWCLPIDISA-N 457.459 4.315 50 10 JIGE C[C@H]1CN(S(=O)(=O)c2cc(CBr)ccc2F)[C@H](C)CN1Cc1ccccc1 2179784897 FPCAURWCZGDKSE-JKSUJKDBSA-N 455.393 4.004 50 10 JIGE Cc1c(F)cc(CBr)cc1S(=O)(=O)N1CC[C@@H](COCc2ccccc2)C1 2179858734 SJHZPKQNPAWGEM-QGZVFWFLSA-N 456.377 4.256 50 10 JIGE CN(Cc1cscc1F)S(=O)(=O)c1cc(CBr)sc1Br 2181979763 JXUVECPPPDEAGB-UHFFFAOYSA-N 463.213 4.427 50 10 JIGE O=C(c1cc(I)ccc1F)N1[C@H]2CC[C@@H]1C[C@H](CBr)C2 2184577433 JYABRUHRCZGCRV-YHPBZONMSA-N 452.105 4.208 50 10 JIGE CC(C)(C)OC(=O)NC[C@](C)(CI)OC1(C2CCCCC2)COC1 2250814464 YFFBCRLMEBNPKZ-KRWDZBQOSA-N 453.361 4.071 50 10 JIGE C[C@]1(CBr)C[C@H](NC(=O)Cc2cc(Br)cc(Br)c2)C1 2277931693 XJRYTTNSRZBNPU-MQMHXKEQSA-N 454.000 4.434 50 10 JIGE C[C@@H](Br)COCc1cn(Cc2c(Br)cccc2Br)nn1 2295792396 UJDZVQJQWPEETG-SECBINFHSA-N 467.987 4.151 50 10 JIGE Cc1ccc(C=C2SC(=S)N(CCCC(=O)NNC(=O)c3cccc(Cl)c3)C2=O)cc1 2295924290 QWVRMMAJPPUOOO-UHFFFAOYSA-N 474.007 4.091 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC[C@@H]2C[C@]23CC3(F)F)C1 2307350562 JVVKBPSODFPXQB-MAZHCROVSA-N 457.299 4.253 50 10 JIGE CC[C@@H](C)c1ccccc1O[C@@H](C)C(=O)NNC(=O)COc1ccc(C)cc1Br 9872871 AUKFBHZDGZQZHU-CVEARBPZSA-N 463.372 4.265 50 10 JIGE CCCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)[C@@H](C)Oc1ccc(C)c(C)c1 10154163 RWZASRDGRLEASY-LJQANCHMSA-N 471.623 4.366 50 10 JIGE CCOc1ccc(C(=O)NNC(=O)COc2ccc(-c3ccccc3)cc2)cc1Br 14770435 SAIKCKBTSVEWIX-UHFFFAOYSA-N 469.335 4.355 50 10 JIGE COc1ccc(C(=O)N2CCC(C(=O)NNC(=O)c3ccc(C(C)(C)C)cc3)CC2)c2ccccc12 16911951 WKRXUSLUOVCSIY-UHFFFAOYSA-N 487.600 4.459 50 10 JIGE O=C(CSc1nnc(-c2ccccc2Cl)n1-c1ccccc1)NNC(=O)c1ccc(F)cc1 20922888 NYBCSSZFMPFKHH-UHFFFAOYSA-N 481.940 4.280 50 10 JIGE Cc1c(C(=O)NNC(=O)c2cccc(Cl)c2)oc2c1/C(=N/NC(=S)Nc1ccccc1)CCC2 40825295 QDUZSNAPNQQVLZ-OVVQPSECSA-N 495.992 4.343 50 10 JIGE CCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C(C#N)=C\c2ccc(OCCC)cc2)c(OC)c1 206429264 CYSRCCVHBQAXKD-JDOZLOAYSA-N 473.529 4.430 50 10 JIGE CCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc3cc(C(=O)N[C@@H](C)CC)c(=O)oc3c2)cc1OC 206543773 GFQNCPATSGXHDF-YLRSXTQRSA-N 490.512 4.241 50 10 JIGE CC(C)(C)OC(=O)N1C[C@H](OCc2ccccc2Br)[C@H](I)C1 231319654 WMRAIUMJUYRSRJ-KGLIPLIRSA-N 482.156 4.389 50 10 JIGE C=CCOc1ccc(C=NNC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1 254416440 HENLMXBNODXFMT-UHFFFAOYSA-N 469.607 4.034 50 10 JIGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)NN=Cc1cccc(OC)c1 254592661 XVMXCXSNLLWUTA-INIZCTEOSA-N 485.013 4.369 50 10 JIGE O=S1(=O)CC[C@@H](C(CBr)(CBr)Cc2ccsc2Br)C1 388760991 UXVZDMPTJAZPNQ-SNVBAGLBSA-N 495.096 4.264 50 10 JIGE O=C(c1ccc(F)cc1I)N1C[C@@H]2CC[C@@H](Br)C[C@H]2C1 398744692 RJSVNPQBDDWSDA-GARJFASQSA-N 452.105 4.066 50 10 JIGE C[C@@H]1C[C@H](Br)CCN1C(=O)c1cc(Br)ccc1I 705612891 QTGRLEANTYCWJJ-PSASIEDQSA-N 486.973 4.442 50 10 JIGE C[C@H]1CC[C@@H](Br)CN1C(=O)c1ccc(I)c(Br)c1 721615025 BZSDCSPJNBTVEZ-WCBMZHEXSA-N 486.973 4.442 50 10 JIGE N#CCCn1cc(/C=C(/C#N)C(=O)N2CCC[C@H](CN3CCCCCC3)C2)c(-c2ccccc2)n1 728530080 CZHROKYMPXGCBC-SNCWWCFESA-N 470.621 4.485 50 10 JIGE O=C(CCOc1ccccc1)NNC(=O)c1ccccc1-c1nc(-c2cccc(Cl)c2)no1 731189177 RHSNAYNMBWFBRT-UHFFFAOYSA-N 462.893 4.287 50 10 JIGE Cc1nc2c(cnn2C(C)C)cc1C(=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1 790008042 URKYHFDYARTYMZ-UHFFFAOYSA-N 461.497 4.114 50 10 JIGE CC(=O)N[C@@H](C(=O)NN(Cc1ccccc1)c1ccccc1)c1cccc(Br)c1 1264549131 QWCSKIMMMZTFHO-JOCHJYFZSA-N 452.352 4.364 50 10 JIGE C=CCN1CCC(NC(=O)NNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)CC1 1311893774 IPEPUFKDIXDSSU-UHFFFAOYSA-N 459.015 4.227 50 10 JIGE COc1cc(C=NNC(=O)COc2ccc(Br)c(C)c2)cc(Br)c1OC 1772753760 HOVCDRHKNZPIFB-UHFFFAOYSA-N 486.160 4.066 50 10 JIGE CCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(OC)cc1OC)C(C#N)=C(N)O2 1865708171 PTGOOLLDCOBUOV-OAQYLSRUSA-N 450.926 4.383 50 10 JIGE O=C(c1cccc(F)c1I)N1CC[C@@]2(CCC[C@H]2Br)C1 1918932650 BOJRZCOMOZAKRS-DOMZBBRYSA-N 452.105 4.210 50 10 JIGE C[C@H]1CCN(c2ncc(I)cc2Br)[C@H]1CBr 1988540183 VWEKYXYDMUWXLC-XVKPBYJWSA-N 459.951 4.058 50 10 JIGE O=C(N[C@H](CBr)C(F)(F)F)c1c(Br)cccc1Br 2033091815 VZHQVPAGHBWUBR-SSDOTTSWSA-N 453.878 4.267 50 10 JIGE BrCc1ccc(N2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)cc1Br 2036446893 ZCNFDAULCJENRF-VQTJNVASSA-N 466.217 4.434 50 10 JIGE C[C@@]12CN(C(=O)c3cc(Cl)ccc3I)C[C@]1(CBr)C2 2109180833 CBLONWMMJQNGQB-ZIAGYGMSSA-N 454.533 4.192 50 10 JIGE O=S(=O)(c1cc(Cl)cc(CBr)c1F)N(Cc1ccccc1)[C@H]1CCOC1 2123268840 OJGISAPYELPFQD-INIZCTEOSA-N 462.768 4.354 50 10 JIGE BrC[C@H]1CN(Cc2c(Br)cccc2Br)C2(CC2)CO1 2127554481 DGHJIHQQYYDTFY-JTQLQIEISA-N 454.000 4.340 50 10 JIGE Brc1ccc(CN2CCO[C@@H]3C[C@@H](Br)C[C@@H]32)c(Br)c1 2128884887 QTEBTIUSDYQKNG-FPMFFAJLSA-N 454.000 4.338 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@H]2CC(Br)C[C@@H]2C1 2142278638 GCJZUUZTTAWQSF-RKDXNWHRSA-N 498.984 4.299 50 10 JIGE CC1(C)CC[C@@H](CBr)N(C(=O)Cc2ccccc2I)C1 2143873627 UMIPSJXVKBCEAL-ZDUSSCGKSA-N 450.158 4.246 50 10 JIGE CO[C@H]1C[C@H](O[C@@H](CI)c2cccc(Br)c2)C[C@H]1OC 2166423587 YCORJWHSAQDNLG-XQLPTFJDSA-N 455.130 4.134 50 10 JIGE O=C(c1sccc1I)N1Cc2ccccc2[C@@H](CBr)C1 2176251539 GGJFJICLAIUHIL-NSHDSACASA-N 462.150 4.487 50 10 JIGE CN(C(=O)Cc1ccccc1I)[C@H](CCBr)C(F)(F)F 2178511505 JMBRXMMVIQQJNL-LLVKDONJSA-N 464.063 4.008 50 10 JIGE CCN([C@@H]1CCC[C@@H]1Br)S(=O)(=O)c1cc(Cl)c(Br)s1 2224417161 IJODKNYRKJABSP-IONNQARKSA-N 451.633 4.491 50 10 JIGE O=C(c1sccc1I)N1C[C@H]2CCCC[C@@]2(CBr)C1 2230614077 RRVSGKMWTQQHTE-QMTHXVAHSA-N 454.171 4.380 50 10 JIGE CC(C)(C)OC(=O)NC[C@@H]1CC[S@@](=O)(=NCC2(CBr)CC(F)C2)C1(C)C 2265631308 BOKBUACBIPLLFM-SRRMUJNTSA-N 455.434 4.291 50 10 JIGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)SC2=C(C#N)C(=O)NC)cc1 2314592762 BGAKDQBQXJBTCK-IBGZPJMESA-N 486.391 4.020 50 10 JIGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccccc1C 2314754791 BZYNLQQQHKMXEE-UHFFFAOYSA-N 460.486 4.195 50 10 JIGE CC(C)(CI)CN1CCC[C@H](c2n[nH]cc2NC(=O)OC(C)(C)C)C1 2326664744 HLNPGPJSUSXXTJ-ZDUSSCGKSA-N 462.376 4.397 50 10 JIGE Cn1cnc(Br)c1[C@H](Br)c1cc2c(cc1Br)OCCO2 2362492256 KQNUYNCPPQQOPR-LLVKDONJSA-N 466.955 4.201 50 10 JIGE O=C(c1ccccc1I)N1CCC[C@H](Br)[C@@H]1C(F)(F)F 2370243919 WERGNRLKWCHLPB-GXSJLCMTSA-N 462.047 4.222 50 10 JIGE COC(=O)C1=C(N)N2C(=O)c3ccccc3SC2=C(C#N)[C@@H]1c1ccc(Cl)cc1Cl 20220431 SNDCKOYUNAMJNB-INIZCTEOSA-N 458.326 4.417 50 10 JIGE C=CCNC(=O)/C(C#N)=C\c1ccc(OC(=O)[C@H](C)Oc2ccc(Cl)cc2C)c(OC)c1 33656380 YSONDQMIMAEVDL-JIHKLPAASA-N 454.910 4.239 50 10 JIGE COc1cccc(C(=O)N/N=C/c2sc(=O)n(Cc3ccc(Br)cc3)c2Cl)c1 33959597 QJEUXMKNDVETCA-LSHDLFTRSA-N 480.771 4.147 50 10 JIGE N#CC1=C(N)Oc2cc(OC(=O)c3cc4ccccc4oc3=O)ccc2[C@@H]1c1cccc([N+](=O)[O-])c1 38688117 HKKDFBCTNZGVNO-QHCPKHFHSA-N 481.420 4.139 50 10 JIGE COc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc1 39858579 HKLZGRUMMKPERO-VKAVYKQESA-N 470.460 4.489 50 10 JIGE CC(C)COC(=O)c1ccc(Nc2ncnc(NNC(=O)c3ccccc3Cl)c2N)cc1 40782982 NSFNWAHMRHTRGT-UHFFFAOYSA-N 454.918 4.026 50 10 JIGE N#C/C(=C\c1ccc(OC(=O)COc2cccc(Br)c2)cc1)C(=O)NCc1ccco1 40934483 NJDXKFNSBPVXHT-GZTJUZNOSA-N 481.302 4.250 50 10 JIGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccccc2-c2ccccc2)cc1 40991839 YWZSADSYZPPULI-OQKWZONESA-N 456.498 4.008 50 10 JIGE CCOC(=O)COc1cc(Br)c(/C=N/NC(=O)c2cc3ccccc3o2)cc1OCC 59304730 RKCXSWLHGIYMEN-WYMPLXKRSA-N 489.322 4.300 50 10 JIGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)ccc1OS(=O)(=O)c1ccccc1 83293392 NCTCLWVRPIHEBN-CYVLTUHYSA-N 478.526 4.407 50 10 JIGE CCOc1ccc(N2C(=O)[C@@H](Cc3cccc(C(F)(F)F)c3)S/C2=C(/C#N)C(=O)NC)cc1 101240667 PJVBHIIECAQWEA-SBOLGIJOSA-N 475.492 4.276 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2CCC[C@H](CBr)C2)cc1Br 155825159 RNAFTJHUEFLHBG-SNVBAGLBSA-N 490.055 4.316 50 10 JIGE COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1ccc(C)cc1 206398133 UATDTOYZKALAMK-HMAPJEAMSA-N 456.498 4.211 50 10 JIGE COc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2OC)cc1 206431943 BKWUKQDJMLFBAD-ITZXJQBVSA-N 458.470 4.139 50 10 JIGE CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)CCc2ccc(OC)c(OC)c2)c(OCC)c1 207162438 LNRVGKNGCVWSMX-UYRXBGFRSA-N 453.491 4.111 50 10 JIGE COc1ccc(OC)c(NC(=O)/C(C#N)=C\Nc2ccc(I)cc2C)c1 217216498 SPPROUTWYSNKMA-QBFSEMIESA-N 463.275 4.075 50 10 JIGE Cn1nccc1CCOc1c(Br)cc(CBr)cc1Br 236089452 DGHNYKUJLLOICZ-UHFFFAOYSA-N 452.972 4.462 50 10 JIGE CC(=NNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1C)c1cccc([N+](=O)[O-])c1 254808168 LWHBPUHREQESMW-UHFFFAOYSA-N 487.541 4.235 50 10 JIGE CCOC(=O)c1c(NC(=O)[C@@]23CC[C@@](C)([C@H]2Br)C3(C)C)sc2c1CCN(C)C2 256019054 IGJJFRHNXZURFF-JRGCBEDISA-N 469.445 4.441 50 10 JIGE CC[C@H](CBr)N(C)C(=O)c1cc(Br)ccc1I 379140243 FIRVQGUNVMSMBS-SECBINFHSA-N 474.962 4.299 50 10 JIGE BrCc1nnc(-c2cc(Br)ccc2I)s1 708108409 DYCVPRFIXHFRSA-UHFFFAOYSA-N 459.932 4.467 50 10 JIGE O=C(NN=C1C(=O)N(Cc2ccccc2F)c2ccccc21)c1cccc(Br)c1 1084622565 ZGPAIYHGRJSKFD-UHFFFAOYSA-N 452.283 4.269 50 10 JIGE C#Cc1cccc(NC(=O)CN(C)C(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(F)cc3)c2C)c1 1125255065 OZOOOGZZXKLIDR-PXLXIMEGSA-N 454.505 4.219 50 10 JIGE CC(C)(C)OC(=O)Nc1ccccc1CNS(=O)(=O)c1ccc(CBr)cc1 1260511122 NOTBZCLLAAQWGS-UHFFFAOYSA-N 455.374 4.407 50 10 JIGE Cc1c(C(=O)Oc2ccc(F)cc2)oc2c1C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772746928 FPKYKPPAWJBVJH-UHFFFAOYSA-N 465.437 4.254 50 10 JIGE O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)N/N=C/c1ccc(C(F)(F)F)cc1 1860773411 YIXIHRAPGMVFIX-YPXUMCKCSA-N 456.449 4.294 50 10 JIGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1cccc(OC)c1OCC)C(C#N)=C(N)O2 1865692419 FORPPXUXTYNHHM-JOCHJYFZSA-N 460.534 4.459 50 10 JIGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)c1OC 1865700861 GEPJJUURRYODDW-QGZVFWFLSA-N 474.414 4.325 50 10 JIGE C[C@@H](Br)C1CN(Cc2ccc(I)c(Br)c2)C1 1904336912 BJIBSXFKEJDANV-MRVPVSSYSA-N 458.963 4.269 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N[C@@H](CCBr)C(F)F)cc1Br 1918539773 ZJIDUAUQZFACLO-VIFPVBQESA-N 499.997 4.217 50 10 JIGE CC[C@H](Br)[C@@H](C)NC(=O)c1ccc(Br)cc1I 2026220015 APHUBUAUANFFEC-XCBNKYQSSA-N 474.962 4.346 50 10 JIGE O=C(N[C@@H]1C[C@H](CBr)[C@@H]2C[C@@H]12)c1scc(Br)c1Br 2048009625 PPHNNCPUTCSBEU-JVZYCSMKSA-N 458.013 4.422 50 10 JIGE O=C(N[C@H]1C[C@H]2C[C@H]1C[C@H]2Br)c1ccc(I)c(Br)c1 2104399627 CTPNYZPIEIDLSQ-COMAGPEQSA-N 498.984 4.346 50 10 JIGE C#CC[C@@](C)(CBr)CNC(=O)c1ccc(I)c(Br)c1 2140716270 XNZLAUKSXNSTHY-AWEZNQCLSA-N 498.984 4.208 50 10 JIGE O=S(=O)(C1CC(OCc2ccccc2)C1)N1CCC2(CCC(CBr)CC2)C1 2161296680 DEVAZANSZHMISQ-UHFFFAOYSA-N 456.446 4.341 50 10 JIGE CC(C)(C)[C@H]1C[C@H](CBr)CN(C(=O)c2cc(I)sn2)C1 2176540950 XCCMBNABKAVSFQ-ZJUUUORDSA-N 471.202 4.267 50 10 JIGE C[C@@H]1CCN(Cc2ccccc2)CCN1S(=O)(=O)c1cc(F)ccc1CBr 2179788315 ARGIQPSIJOUWFC-MRXNPFEDSA-N 455.393 4.006 50 10 JIGE CN(C[C@H](Cl)COCc1ccccc1)S(=O)(=O)c1ccc(F)c(Br)c1 2224017349 BFRGILXEKFERTP-AWEZNQCLSA-N 450.757 4.033 50 10 JIGE O=C(c1sccc1I)N1CC[C@H]2[C@H](CCC[C@H]2Br)C1 2225380055 HRLJBNYBGADAQZ-OUAUKWLOSA-N 454.171 4.378 50 10 JIGE CC(C)(C)OC(=O)N[C@H](Cc1ccccc1Br)C(=O)NC[C@H]1C[C@@H](Br)C1 2229134437 AJJBXFZXOOVAQD-IVMMDQJWSA-N 490.236 4.175 50 10 JIGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)NC[C@@H]3CCCO3)c(Oc3ccc(C(C)(C)C)cc3)nc12 2296719327 DAZPKAXZXMYAPF-QFIPXVFZSA-N 486.572 4.295 50 10 JIGE CO[C@@H]1[C@H](Br)C[C@H]1OCc1ccc(I)c(Br)c1 2306297503 QETPUVGJALWMEC-YUSALJHKSA-N 475.946 4.121 50 10 JIGE COc1c(Br)cc(C=NNC(=O)Nc2ccccc2)c(OC)c1Br 2323065012 OPIAWLNAJSHYFD-UHFFFAOYSA-N 457.122 4.384 50 10 JIGE BrCC[C@@H]1COCCN1Cc1ccc(I)c(Br)c1 2325214751 RXRBJXFYQYGCBR-LLVKDONJSA-N 488.989 4.040 50 10 JIGE COc1ccc(Br)c(CCl)c1OCc1nn(C)cc1I 2367607652 OBBZDCSQSDHEIF-UHFFFAOYSA-N 471.520 4.114 50 10 JIGE COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(C)cc4)c32)cc(OC)c1OC(=O)c1ccco1 8557874 NOKOOAZFRJKOEW-NRFANRHFSA-N 498.495 4.433 50 10 JIGE C=CCOc1ccc(C(=O)N/N=C/c2ccc(/C=N/NC(=O)c3ccc(OCC=C)cc3)cc2)cc1 14019678 JBBYQAQFTQTJCU-CZYCKNNWSA-N 482.540 4.344 50 10 JIGE CCC(C)(C)c1ccc(OCC(=O)NNC(=O)COc2ccc(Br)cc2C)cc1 14784137 XGRARVVABYICHN-UHFFFAOYSA-N 463.372 4.050 50 10 JIGE COc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2ccccc2OC)cc1 39858582 CMHDKXFLTGHSAI-SDXDJHTJSA-N 482.496 4.358 50 10 JIGE CN(c1ccccc1)c1ncnc(NNC(=O)C(c2ccccc2)c2ccccc2)c1[N+](=O)[O-] 40625504 ITESJJBMQJHUKB-UHFFFAOYSA-N 454.490 4.428 50 10 JIGE Cc1c(C(=O)Nc2cccnc2)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 40811790 UGSBKFZQLSJKHF-YZSQISJMSA-N 467.323 4.468 50 10 JIGE Cc1c(C(=O)N2CCc3ccccc3C2)oc2c1/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 40814607 PGCIYAHYKAIIKJ-XAYXJRQQSA-N 486.528 4.094 50 10 JIGE O=C(N/N=C1/C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21)[C@@H](O)c1ccccc1 59165533 GDZBQSDVEUYIIH-QRUUQNQBSA-N 454.313 4.094 50 10 JIGE O=C(NNc1ccccc1)c1cc(C(=O)NNc2ccccc2)cc(N2C(=O)c3ccccc3C2=O)c1 59312920 CYKZEBPMIXTRBF-UHFFFAOYSA-N 491.507 4.001 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N(CCBr)CC(F)F 231545125 MWGBCKYYCRJMLV-UHFFFAOYSA-N 452.464 4.047 50 10 JIGE O=C(NC[C@@H]1CCC[C@@H]1CBr)c1ccc(I)c(Cl)c1 232349433 FCNDZCCCCPPMDK-MNOVXSKESA-N 456.549 4.486 50 10 JIGE CC(C)c1ccc(C=NNC(=O)/C(=C/c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)cc1 254757726 BWAJZHYWJAEDJC-LUIQZEMSSA-N 455.514 4.460 50 10 JIGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2cc(F)ccc2O)C1 382698714 MOUPEQIGDINYRC-PBHICJAKSA-N 455.267 4.319 50 10 JIGE CC(C)(CNC(=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1)c1ccc(F)cc1 728752581 IAOWUGUPVOGZIA-UHFFFAOYSA-N 453.489 4.466 50 10 JIGE C[C@H](OC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1)C(=O)Nc1ccc(F)cc1F 729344395 GHQQKZFHVFDWAI-JIHKLPAASA-N 475.455 4.219 50 10 JIGE C[C@@H](NC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1)c1ccc(N2CCOCC2)cc1 920886301 GRWSAYUXNPGZSC-DABWLCNRSA-N 480.572 4.085 50 10 JIGE O=C(COc1ccc(Cl)cc1Cl)NN=Cc1cc(Br)c(N2CCCC2)o1 1084286937 LFPFUHSKDNQHDD-UHFFFAOYSA-N 461.143 4.478 50 10 JIGE C#CCN([C@H]1CCOc2ccc(Br)cc21)S(=O)(=O)c1ccc(CCl)cc1 1561260564 HUQWAMVOUAIJNN-SFHVURJKSA-N 454.773 4.336 50 10 JIGE C=C(Cl)CSc1nc(C)c(CC(=O)NNC(=O)[C@H](C)Oc2cccc(C)c2C)s1 1586944184 XKQYALRENYZJMK-HNNXBMFYSA-N 454.017 4.070 50 10 JIGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@@H](c2ccc(O)c(O)c2)C(C#N)=C(N)O3)cc1 1865680721 UAZFZFVIDMWGIC-QHCPKHFHSA-N 484.487 4.375 50 10 JIGE Cc1ccc(C)c(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccc(C(=O)O)cc2)c1 1865708774 FUQJPRLJYGGUSC-GOSISDBHSA-N 468.435 4.483 50 10 JIGE Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(O)c([N+](=O)[O-])c2)cc1 1865714426 KBIHGRJICPMACT-INIZCTEOSA-N 457.368 4.032 50 10 JIGE CCN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(CCl)c(Br)c1 1915020854 YDVQRIRGHXYMAN-GOSISDBHSA-N 471.848 4.473 50 10 JIGE O=C(N[C@H](CCCl)C(F)(F)F)c1ccc(I)c(Br)c1 1918539454 WQIAKZUWPINNIT-SECBINFHSA-N 470.454 4.343 50 10 JIGE CC(C)(C)OC(=O)N1C[C@@H](Br)[C@H](OCc2cc(F)ccc2Br)C1 1994979828 BFENKZAHZFVWSE-ZIAGYGMSSA-N 453.146 4.488 50 10 JIGE CS(=O)(=O)c1csc([C@@H](Br)c2cccc(I)c2)c1 2032176242 AQIVLXIPIFAKEB-LBPRGKRZSA-N 457.152 4.241 50 10 JIGE N#CC(=C(OCC(=O)c1ccc(Br)cc1)C(F)(F)F)c1nnc2n1CCCCC2 2040465743 GFNAQAUSOAOLGC-UHFFFAOYSA-N 469.261 4.463 50 10 JIGE CCOc1c(I)ccc(I)c1CBr 2060221446 SJSMSVRIJOPZQD-UHFFFAOYSA-N 466.882 4.189 50 10 JIGE CC1(C)CN(Cc2ccccc2)CCN(S(=O)(=O)c2ccc(CBr)s2)C1 2123228500 CPCJWFGDRPECPH-UHFFFAOYSA-N 457.459 4.176 50 10 JIGE Cc1c(CBr)cccc1S(=O)(=O)N(C)[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 2179785310 KHDNNXQXKVVZRQ-OXQOHEQNSA-N 451.430 4.173 50 10 JIGE O=S(=O)(c1cc(CBr)cs1)N1CC[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 2179820797 CBGDMRNUGDZXMH-RBUKOAKNSA-N 469.470 4.176 50 10 JIGE Cc1cc(S(=O)(=O)N2CCN(Cc3ccccc3)[C@H](C(C)C)C2)sc1CBr 2179822571 YFYWGHNFTPHUCR-SFHVURJKSA-N 471.486 4.483 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1[C@H]2CC[C@H]1[C@@H](F)[C@H](Br)C2 2190680408 WHFCFCHJQDQNGZ-JAAHAHCPSA-N 472.523 4.423 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC2(c3ccccc3)COC2)C1 2272886844 RDHFLSAFHKNMHE-LJQANCHMSA-N 473.351 4.133 50 10 JIGE COc1ccc(C(=O)N(C)C[C@H](Br)COCc2ccccc2)c(Cl)c1OC 2283571119 UGJYOQQOHLWXSO-HNNXBMFYSA-N 456.764 4.410 50 10 JIGE COc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)c(Br)cc1OCC(=O)O 2294193327 FKRRFFPUVOFOMK-UHFFFAOYSA-N 465.687 4.120 50 10 JIGE CCOc1ccc(N2C(=O)[C@@H](Cc3cccc(C(F)(F)F)c3)SC2=C(C#N)C(=O)NC)cc1 2314593570 PJVBHIIECAQWEA-LJQANCHMSA-N 475.492 4.276 50 10 JIGE CC(C)(C)OC(=O)N[C@@H]1CN(CCOCCI)C2(CCCCCC2)C1 2326644559 ZJXCVSQBWSNKLX-INIZCTEOSA-N 466.404 4.130 50 10 JIGE Cc1nc(OCc2cc(I)ccc2Br)ncc1CCl 2341552915 SNGHGKXMVOSSOR-UHFFFAOYSA-N 453.505 4.470 50 10 JIGE C[C@@H](Cl)CCc1cn(Cc2ccc(I)c(Br)c2)nn1 2349850080 FDCRDQGOQKIJKS-SECBINFHSA-N 454.537 4.253 50 10 JIGE O=C(c1cc(Br)cc(Br)c1)N(CCBr)C1CCOCC1 2381891868 KKVXTENTQFSZSU-UHFFFAOYSA-N 469.999 4.228 50 10 JIGE CC(C)c1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(C)C)cc2Br)cc1 10453224 QGXHIEAQNSCZST-UHFFFAOYSA-N 492.439 4.410 50 10 JIGE CC[C@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)C(c2ccccc2)c2ccccc2)c1 10671035 BUYGOQQLGGZGFW-SFHVURJKSA-N 461.587 4.332 50 10 JIGE O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)COc1ccc(Br)cc1 12582949 GEHPYIWEKRXLOB-UHFFFAOYSA-N 476.154 4.141 50 10 JIGE CCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)CC(C)C)cc2)cc1 14029792 RIPWYVXAHSVMQI-UHFFFAOYSA-N 484.622 4.190 50 10 JIGE O=C(NNC(=O)c1ccccc1OCCOc1ccccc1)c1ccc(NC(=O)c2ccccc2)cc1 14040601 UDOZUKSUDVBSCA-UHFFFAOYSA-N 495.535 4.472 50 10 JIGE Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)NNC(=O)c1cc(Br)cn1C 28720010 UIWZHKMRMZLGQP-UHFFFAOYSA-N 487.301 4.313 50 10 JIGE Nc1c(NNC(=O)c2ccccc2Br)ncnc1Nc1ccccc1Br 40781423 JIEUKVDVKBTXOR-UHFFFAOYSA-N 478.148 4.084 50 10 JIGE COc1cc(/C=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)ccc1OCc1ccc(C(=O)O)cc1 59153432 MQJBIBFFPUVUOE-HIUVJMHLSA-N 496.335 4.255 50 10 JIGE CCOc1ccc(/C=N/NC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccc(Cl)cc2Cl)cc1 59384934 SMGXWAGICYAXEK-CCYMUMOUSA-N 463.390 4.335 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CCC[C@@H](Br)C1 232458714 FOCTUEIHVVPLIB-SECBINFHSA-N 472.946 4.053 50 10 JIGE COC(=O)c1ccc(-n2c(C)cc(C=NNC(=O)CNc3ccc(Br)cc3)c2C)cc1 254509096 LTXDIMXXYBIZEE-UHFFFAOYSA-N 483.366 4.205 50 10 JIGE C[C@H]1CN(Cc2ccccc2)CCN1S(=O)(=O)c1ccc(CCl)cc1Br 382646081 KZFDRNVJXNLXER-HNNXBMFYSA-N 457.821 4.083 50 10 JIGE CO[C@@]1(COc2c(Br)cc(CBr)cc2Br)CCOC1 692461855 LJUYEQBYXDFVSG-ZDUSSCGKSA-N 458.972 4.291 50 10 JIGE C[C@@H]1C[C@H](Br)CN(C(=O)c2ccc(I)c(Br)c2)C1 721613882 MZVLUSLKRUJKED-SCZZXKLOSA-N 486.973 4.299 50 10 JIGE Cc1ccc(C(=O)NNC(=O)c2ccc(Br)cc2Cl)cc1I 728826963 GFPQEKJQXJCIPK-UHFFFAOYSA-N 493.526 4.090 50 10 JIGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 746180375 GUHJZMGPSGSQDR-UHFFFAOYSA-N 498.479 4.348 50 10 JIGE CN(C)c1cccc(CNC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)c1 748289071 HRGDHPLFGATJKL-ZHZULCJRSA-N 458.953 4.407 50 10 JIGE Cc1c(C(=O)NCc2ccco2)oc2c1C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772748066 NFWQVVCMBPNNHB-UHFFFAOYSA-N 470.869 4.143 50 10 JIGE O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)N/N=C\c1ccc(F)c(Br)c1 1860773134 ROFXQENQQHIATO-MRUKODCESA-N 485.338 4.177 50 10 JIGE Cc1oc(-c2cccc(F)c2)nc1CC(=O)NC(C)(C)C(=O)Nc1ccc(SC#N)cc1 1866658864 FRDOLZQGXDQDOM-UHFFFAOYSA-N 452.511 4.438 50 10 JIGE N#CSc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccc3oc(O)nc3c2)cc1 1867136860 WUAHBZHJCLQYTO-FQEVSTJZSA-N 458.499 4.086 50 10 JIGE COc1cc(/C=N/NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc(OC)c1OCc1ccccc1 1873794978 LSPVGVLBQKQBKT-BJRSOBTISA-N 483.565 4.132 50 10 JIGE Cc1c(C(=O)OC(C)(C)C)cc(B(O)O)cc1N(C)C(=O)OCC1c2ccccc2-c2ccccc21 1887519247 UONFNDDOPGPLIT-UHFFFAOYSA-N 487.361 4.015 50 10 JIGE CC(C)(C)OC(=O)Nc1ccc(C(=O)NC[C@H]2C[C@H]2Br)cc1I 1991435069 DRPJCGIXXYMITG-GHMZBOCLSA-N 495.155 4.151 50 10 JIGE BrCc1cc(Br)ccc1N1C[C@H]2[C@@H](C1)OCCN2Cc1ccccc1 2036445430 LHXSVSCTNMNTLE-VQTJNVASSA-N 466.217 4.434 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CC=CC[C@H]1CBr 2056311931 GYGYPURFBAUUQT-JTQLQIEISA-N 484.957 4.219 50 10 JIGE Brc1cc(I)cnc1N1C[C@@H]2CCC[C@H](C1)C2Br 2069526614 YGWHIBAHZFITBI-USUYBEQLSA-N 485.989 4.449 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OC[C@@H]2CC23CCOCC3)C1 2077646399 TVTGKNFCTAJYSO-KXBFYZLASA-N 465.372 4.024 50 10 JIGE C[P@]1(=O)C[C@H](Br)[C@H](NC(=O)c2c(Br)cccc2Br)C1 2121384399 KSOTYMNXVYXVIN-DQPNGWRMSA-N 473.927 4.080 50 10 JIGE Cc1sc(CBr)cc1S(=O)(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 2123230504 RKUOBENCOQALGC-QGZVFWFLSA-N 457.459 4.237 50 10 JIGE C[C@@H](Br)C[C@@H]1COCCN1C(=O)c1cc(Br)c(Br)s1 2128881876 VSPIVMKFCFSMJS-HTQZYQBOSA-N 476.028 4.288 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CC[C@H](Cl)[C@@H]2CC[C@@H]21 2142279684 SVTMHANUBGDAAD-GAFUQQFSSA-N 454.533 4.286 50 10 JIGE C[C@H]1[C@H](Br)C[C@H]2CC[C@H]1N2C(=O)c1c(F)cccc1I 2282792382 PQMZDRWJIGUIMS-DCJFZGGZSA-N 452.105 4.207 50 10 JIGE Cc1cnc(C(=O)N[C@H](CCBr)COCc2ccccc2)c(Br)c1 2303547670 YHAVSCZACKJAQK-OAHLLOKOSA-N 456.178 4.253 50 10 JIGE CC(C)c1ccc(OCC(=O)NNC(=S)NC(=O)CCC2CCCCC2)c(Br)c1 14029330 PJCQURKFPHQXHF-UHFFFAOYSA-N 484.460 4.334 50 10 JIGE COc1cc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccc(C)cc2)ccc1O 19849277 VKNZFCUMBXDRBF-VULFUBBASA-N 460.559 4.350 50 10 JIGE CC1=C(C#N)C(=O)N(C[C@@H](C)O)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c(C(=O)OCC(C)C)c2)o1 20036566 IYKCCTPORPMFMZ-SMLKNPDNSA-N 496.947 4.386 50 10 JIGE O=C(CSc1ccc(/C=N/NC(=O)c2ccc(F)cc2)cc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 59498929 HBPWRMUCARIKND-WYMPLXKRSA-N 482.449 4.381 50 10 JIGE CCc1ccc(OCC(=O)N/N=C/c2cc(OC)c(OC)cc2Cl)c(Br)c1 66202220 ZTNLIPZBDKPIAV-LSHDLFTRSA-N 455.736 4.211 50 10 JIGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCO)C(=O)C(C#N)=C2C)c(C)c1 95951246 BUXVVMLHVTZZGX-XYGWBWBKSA-N 496.567 4.221 50 10 JIGE Cc1occc1C(=O)NNC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1cccc3ccccc13)CCC2 101602861 ATMWZVFYVCKTPX-SGWCAAJKSA-N 484.512 4.188 50 10 JIGE CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(N(CCCl)CCCl)cc3)C2=O)cc1 103812927 NBENFISVIBSDQB-HMMYKYKNSA-N 476.360 4.036 50 10 JIGE Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1CC(=O)NNC(=O)c1ccc(Cl)cc1 107527832 DKHVINZZEZSTHG-UHFFFAOYSA-N 450.848 4.165 50 10 JIGE COc1ccc([C@H](C)NC(=O)/C(C#N)=C\Nc2ccc(I)cc2C)cc1 217178539 GNONXUSQWBALME-QXPQOBGOSA-N 461.303 4.305 50 10 JIGE CC(C)(C)OC(=O)N1CCN(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 217250886 NIFNCYWXNXOTRD-SEYXRHQNSA-N 458.868 4.257 50 10 JIGE O=C(N[C@@H](CCl)CC(F)F)c1ccc(I)c(Br)c1 721606812 XKMJFFLLCXWYLO-SSDOTTSWSA-N 452.464 4.046 50 10 JIGE O=C(NNS(=O)(=O)c1cc(C(F)(F)F)ccc1F)c1ccccc1OCc1ccc(F)cc1 728502838 REDDUWBBNBNWRV-UHFFFAOYSA-N 486.418 4.186 50 10 JIGE Cc1ccc(NC(=O)COc2ccc(C=NNC(=O)C(=O)Nc3cccc4ccccc34)cc2)cc1 1084031313 VYVDDHKZWAPTTD-UHFFFAOYSA-N 480.524 4.255 50 10 JIGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(-c3cccc(C(=O)O)c3C)o2)cc1 1084036641 MMTLJTDBCNFWDL-JOCHJYFZSA-N 450.491 4.316 50 10 JIGE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NNc1cc([N+](=O)[O-])ccc1Br 1306838477 DJJDYZACZGRUMG-AWEZNQCLSA-N 457.325 4.050 50 10 JIGE C[C@@H](CCCl)C(=O)Nc1cc(I)cc(I)c1 1985794285 HWVURYUNIJZWAH-ZETCQYMHSA-N 463.484 4.099 50 10 JIGE C[C@H](Br)[C@@H]1CCN1C(=O)c1cc(Br)ccc1I 2011148430 GBPKFJNMGDOPRH-CPCISQLKSA-N 472.946 4.052 50 10 JIGE BrCc1ccc(Br)cc1N1C[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2036445255 KKUYJBLIWSMDNH-WOJBJXKFSA-N 466.217 4.434 50 10 JIGE COC[C@](C)(CCBr)NC(=O)c1cc(Br)cc(Br)c1 2101778630 YJWYLUVBQNJHBB-ZDUSSCGKSA-N 457.988 4.132 50 10 JIGE CN(Cc1c(Br)nnn1C)c1cc(Br)cc(F)c1CBr 2170696278 BCRRPZBYYFSIGO-UHFFFAOYSA-N 470.966 4.011 50 10 JIGE CN(Cc1ccc(Br)s1)S(=O)(=O)c1ccc(CCBr)s1 2179820003 SNSXMBZJYMBTBM-UHFFFAOYSA-N 459.250 4.330 50 10 JIGE C[C@@]1(CCl)C=CCCN1C(=O)c1cc(Br)ccc1I 2264394126 VQHHMWRHUKSMKG-AWEZNQCLSA-N 454.533 4.453 50 10 JIGE C[C@H](Cl)c1nc2ccc(Br)cc2n1-c1cnn(C)c1I 2280051613 PKIKSORNYDHTQQ-ZETCQYMHSA-N 465.520 4.426 50 10 JIGE O=C(NCCSCCCCl)c1ccc(I)c(Br)c1 2314047629 TVXPPSPQLRKAJV-UHFFFAOYSA-N 462.578 4.146 50 10 JIGE COc1ccc(OC)c(NC(=O)C(C#N)=CN2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 2325152434 VTTIGFJKSTWDDN-UHFFFAOYSA-N 482.584 4.457 50 10 JIGE CC(C)(CCl)c1cn(Cc2ccc(I)c(Br)c2)nn1 2349847501 KELUBAAWFPLAOO-UHFFFAOYSA-N 454.537 4.210 50 10 JIGE O=C1Nc2ccc(Br)cc2/C1=N\NC(=O)c1ccccc1OCc1ccccc1 14030727 KHPVWFXVXDSMIY-UHFFFAOYSA-N 450.292 4.114 50 10 JIGE COc1ccccc1C(=O)NNC(=O)c1ccc(N2CCc3cc4ccc(C)cc4nc32)cc1 39881549 XMABRGDPCBHTOQ-UHFFFAOYSA-N 452.514 4.321 50 10 JIGE CCOc1cc(/C=N/NC(=O)COc2cc(C)c(Cl)c(C)c2Br)ccc1O 40950718 WHBFKZZVISBUFQ-LSFURLLWSA-N 455.736 4.353 50 10 JIGE Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)c3ccc(Br)cc3)cc2)cc1 59147191 FIDGULXVJIMBKI-OEAKJJBVSA-N 473.348 4.289 50 10 JIGE C[C@@H](Sc1ccccn1)C(=O)N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 59166556 QLOLOVGBJHMZPZ-JMKVTYIUSA-N 467.463 4.321 50 10 JIGE O=S1(=O)CC[C@H]([C@H](Br)c2cc(Br)sc2Br)C1 96846618 FYZXSNIVVQGPEV-XNCJUZBTSA-N 453.015 4.144 50 10 JIGE CCCOc1ccc(C=NNC(=O)Nc2sc(C(=O)OCC)c(C)c2C(=O)OCC)cc1OC 256018419 HUQNFVUNYMTIJN-UHFFFAOYSA-N 491.566 4.363 50 10 JIGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@H](c2ccc(Br)cn2)C1 382701314 ORAVVQDTNWXCOG-ZYHUDNBSSA-N 467.145 4.230 50 10 JIGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2ccccc2[N+](=O)[O-])C1 382704454 RIIRDGVCAMNACM-NVXWUHKLSA-N 466.275 4.382 50 10 JIGE O=C(N[C@@H](CBr)CC(F)(F)F)c1cc(Cl)ccc1I 717759980 NJEKENCPICDRMR-SSDOTTSWSA-N 470.454 4.390 50 10 JIGE O=C(NCc1ccccc1-c1ccc(Cn2ccnc2)cc1)NNC(=O)c1cccc2cccnc12 728951481 CYWLRMBZQCUCKD-UHFFFAOYSA-N 476.540 4.291 50 10 JIGE COc1cc(C)ccc1C(=O)COC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1 791183190 FOGKYBIRZXTMMN-ZHZULCJRSA-N 454.486 4.114 50 10 JIGE O=C(CCc1ccccc1O)NN=C1C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21 1084324454 ZBFXTIBYOIANFO-UHFFFAOYSA-N 496.336 4.294 50 10 JIGE CCOc1cc(C=NNC(=O)Cc2ccccc2)ccc1OC(=O)c1ccc(OC)c(OC)c1 1772720579 RQFFQBNDGCPOJY-UHFFFAOYSA-N 462.502 4.015 50 10 JIGE CCc1nn(-c2ccccc2)c2c1[C@@H](c1cc(Br)cc(OC)c1O)C(C#N)=C(N)O2 1865697124 XLNMLSIAMKOPSR-SFHVURJKSA-N 467.323 4.130 50 10 JIGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(C(=O)O)cc1)C(C#N)=C(N)O2 1865708825 GULMFYPIWUVKMR-LJQANCHMSA-N 452.873 4.203 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2F)[C@H]1c1ccc(C(=O)O)cc1 1865709222 RHKYVTYJLSVZOT-INIZCTEOSA-N 458.371 4.006 50 10 JIGE CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865712029 OCSLOUZOSVMVPW-QFIPXVFZSA-N 473.489 4.031 50 10 JIGE CC[C@H]1CCOC[C@H]1OC1(CI)CCN(C(=O)OC(C)(C)C)CC1 1947170126 UFNYOEQYQSPSQT-LSDHHAIUSA-N 453.361 4.023 50 10 JIGE O=C(c1ccc(Br)cc1Br)N1C[C@H](C2CC2)[C@@H](Br)C1 2090686029 SUVZACFPHXFUEY-YPMHNXCESA-N 451.984 4.457 50 10 JIGE C[C@@](CBr)(NC(=O)c1ccc(I)c(Cl)c1)C(F)(F)F 2105102549 DBATZFNKMZCYRU-JTQLQIEISA-N 470.454 4.390 50 10 JIGE CN1CCC(N(Cc2ccccc2)S(=O)(=O)c2cc(CCl)ccc2Br)CC1 2152212661 DMHGWWIZYKFLSX-UHFFFAOYSA-N 471.848 4.473 50 10 JIGE C[C@H]1CN(S(=O)(=O)c2ccc(F)c(CBr)c2)[C@H](C)CN1Cc1ccccc1 2179785385 LJNUNCINADHGHV-JKSUJKDBSA-N 455.393 4.004 50 10 JIGE Cc1ccc(I)c(C(=O)N2CCC(F)(F)[C@@H](CBr)C2)c1 2240914397 NXXNERYQQXGNMP-JTQLQIEISA-N 458.084 4.092 50 10 JIGE C[C@H](Cl)c1nc2cccc(Br)c2n1-c1cnn(C)c1I 2280059065 XNJQUBJFSYTLFX-ZETCQYMHSA-N 465.520 4.426 50 10 JIGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cc3c(cc2Cl)OCO3)cc1 2295523536 BRJKLEFXZAWIHT-UHFFFAOYSA-N 490.947 4.056 50 10 JIGE CN([C@H](CBr)Cc1ccccc1)S(=O)(=O)C1CC(OCc2ccccc2)C1 2296503037 JWDFUSORYDDKNA-MWXLCCTBSA-N 452.414 4.002 50 10 JIGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)NCCc3ccccc3)c(Oc3ccccc3F)nc12 2296721752 OUDYQCPWUYYYDW-UHFFFAOYSA-N 468.488 4.200 50 10 JIGE CNC(=O)C(C#N)=C1S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(C)c(C)c1 2314593620 PZRPLIVIRQQMMN-LJQANCHMSA-N 470.392 4.238 50 10 JIGE COCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)C(C)=C(C#N)C1=O 2314618617 QLIPTRRGTVXXJM-UHFFFAOYSA-N 482.540 4.177 50 10 JIGE C=CCN(CC=C)S(=O)(=O)c1ccc2nc(NC(=O)C(C#N)=Cc3ccc(OC)cc3)sc2c1 2329622526 BOWPSFQVOJLYAJ-UHFFFAOYSA-N 494.598 4.213 50 10 JIGE Clc1ccc(I)c(CN2CC3(CC[C@H](CBr)O3)C2)c1 2336711262 IFTYZIYFJHVOFE-GFCCVEGCSA-N 456.549 4.073 50 10 JIGE C[C@H]1CCC[C@](CBr)(NS(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2364194809 JUWICQJMMCUDGA-JTSKRJEESA-N 499.471 4.106 50 10 JIGE Cn1nc(Br)c(Br)c1C(=O)N(CCBr)C1CCCCC1 2364227748 DBMOLVNIYAFCNL-UHFFFAOYSA-N 472.019 4.115 50 10 JIGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=O)COc1ccc(Br)cc1Cl 13980395 APFKCOVNYLIKGW-ZDUSSCGKSA-N 469.763 4.221 50 10 JIGE CCCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1 13987043 BDRFDCFQGDPMCJ-UHFFFAOYSA-N 454.596 4.062 50 10 JIGE CC(C)c1ccc(OCC(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2)c(Br)c1 14007495 WZZGMTOHKRMRPJ-CYBMUJFWSA-N 469.763 4.220 50 10 JIGE CCCCOc1ccc(Br)cc1C(=O)NNC(=O)CCC(=O)Nc1ccccc1Cl 14649814 ORAKQMCYWBWALR-UHFFFAOYSA-N 496.789 4.461 50 10 JIGE Cc1nc2n(Cc3ccccc3)c3ccccc3n2c1C(=O)N/N=C/c1ccc([N+](=O)[O-])s1 15774523 XYHCHNCYOQBRDM-ZMOGYAJESA-N 458.503 4.379 50 10 JIGE C[C@H](NC(=O)/C(C#N)=C\c1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1)c1ccccc1 35519600 TYSUXXCATDSNFJ-SBGXLDQMSA-N 470.485 4.397 50 10 JIGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccc(F)cc3)nc3ccccn3c2=O)cc1 39992960 CCVUBCPBUIGZPC-OBGWFSINSA-N 498.470 4.348 50 10 JIGE CC(C)COC(=O)c1ccc(Nc2ncnc(NNC(=O)c3ccccc3Cl)c2[N+](=O)[O-])cc1 40649905 VAZNPDSTDQLGHS-UHFFFAOYSA-N 484.900 4.352 50 10 JIGE CC(=O)OCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(C)c(F)c2)C1=O 214421507 MLJVMZUCDYRNAE-QRVIBDJDSA-N 498.514 4.142 50 10 JIGE Cc1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)c(N)c1 382732578 VFVFZWKSVFVLAR-WMZOPIPTSA-N 450.320 4.364 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CCC(F)(F)[C@H](CCl)C1 404050527 XMDCWMMJXOFPJE-MRVPVSSYSA-N 478.502 4.390 50 10 JIGE C[C@H](Br)CCN(C)C(=O)c1ccc(I)c(Br)c1 721594621 QBVFXSLHGIVDTL-QMMMGPOBSA-N 474.962 4.299 50 10 JIGE CC(=NNC(=O)COc1ccc(Br)cc1Br)c1cccc([N+](=O)[O-])c1 1084231259 AIEQWUQMHHFSLF-UHFFFAOYSA-N 471.105 4.039 50 10 JIGE C=CCC[C@H](NC(=O)NNC(=O)COc1ccccc1OC)c1ccc(C(F)(F)F)cc1 1230693073 AVVLKQYLUOKAGW-KRWDZBQOSA-N 451.445 4.131 50 10 JIGE C=C[C@@H]1OCC[C@H]1CNC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(Br)cc2)c1C 1598167915 YDENMEVAJNXTDQ-NKUOZVKISA-N 454.368 4.471 50 10 JIGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(CC)nn2-c1ccc(OC)cc1 1865694629 ZYPNJFXJRHIPQE-QFIPXVFZSA-N 460.534 4.459 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(F)cc2)[C@H]1c1ccc(C(=O)O)cc1 1865709032 LYEWPXKTIZGKDM-INIZCTEOSA-N 458.371 4.006 50 10 JIGE CCc1ccc(-c2ccc(C(=O)NNC(=O)c3ccc(I)cc3)c(C)n2)cc1 1865759009 YZOXUPXQJJCRLA-UHFFFAOYSA-N 485.325 4.299 50 10 JIGE CCN(CC)C(=O)COc1ccc(/C=N\NC(=O)c2ccc(-c3ccc(F)cc3F)nc2C)cc1 1865760876 TWFAAPYUDYPOOW-FDVSRXAVSA-N 480.515 4.346 50 10 JIGE C[C@]1(CCOCc2ccccc2)CCN1S(=O)(=O)c1ccc(CCBr)s1 1892700416 LDDFJYPBWSDUGJ-LJQANCHMSA-N 458.443 4.446 50 10 JIGE O=C(O)C[C@@H](Br)C(=O)c1c(Br)sc(Br)c1Cl 1923091886 UTJPVQZNOIIHEY-UWTATZPHSA-N 455.349 4.347 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1cc(Br)cn1C1CC1 2125300522 QOJPKAREQCDXIF-UHFFFAOYSA-N 464.451 4.221 50 10 JIGE C[C@H]1CN(Cc2ccccc2)CCCN1S(=O)(=O)c1ccc(Br)c(CCl)c1 2144828849 GSJSRRPXHYVCDE-INIZCTEOSA-N 471.848 4.473 50 10 JIGE Cc1cc(CBr)ccc1S(=O)(=O)N1CCC[C@@H](N(C)Cc2ccccc2)C1 2179790436 DTKMRQQMCXYCCZ-HXUWFJFHSA-N 451.430 4.175 50 10 JIGE CN(C[C@H]1C[C@H](Br)C1)S(=O)(=O)c1ccc(CBr)cc1Br 2196929172 BVFZKPHUFXMWJW-XYPYZODXSA-N 490.055 4.138 50 10 JIGE CN(C[C@H]1C[C@@H](Br)C1)S(=O)(=O)c1ccc(CBr)c(Br)c1 2196930878 YZXIJBYYWCUALK-JGZJWPJOSA-N 490.055 4.138 50 10 JIGE C[C@H](CBr)CC1CN(C(=O)c2ccc(Cl)c(I)c2)C1 2268356586 ULDVZDPWKZCZHM-VIFPVBQESA-N 456.549 4.438 50 10 JIGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccccc1C#N 2294187477 UUWNQZUHJXQBIO-UHFFFAOYSA-N 478.552 4.402 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N1CCC(F)(CBr)CC1 2295337245 HFQKDBILHMRZPN-UHFFFAOYSA-N 471.990 4.480 50 10 JIGE COc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)NCCc2ccccc2)cc1 2296719425 PPCZQCBPCQZVQY-UHFFFAOYSA-N 480.524 4.070 50 10 JIGE COc1cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OCC#N 2313556755 KENWTZLGUORTBN-UHFFFAOYSA-N 479.334 4.107 50 10 JIGE CCOC(=O)C(C#N)=Cc1cccc(OC(=O)COc2ccc(CC)cc2Br)c1 2314770675 QFHAMGRWXQNJOK-UHFFFAOYSA-N 458.308 4.466 50 10 JIGE O=C(N[C@H]1C[C@@H](CBr)[C@H]2C[C@H]12)c1ccc(Br)cc1I 2333351045 NOSCAKRKTCKVCK-RINBACNTSA-N 498.984 4.203 50 10 JIGE COc1ccc([C@H](C(=O)NCCc2ccccc2)N(Cc2cccs2)C(=O)CCl)cc1 3039719 USWGKZRLKQJMFF-HSZRJFAPSA-N 456.995 4.424 50 10 JIGE Cc1c(C(=O)NNC(=O)COc2cccc(C(F)(F)F)c2)sc2nc(C(F)(F)F)ccc12 29754933 PIVUQQJLAXROOB-UHFFFAOYSA-N 477.386 4.482 50 10 JIGE Cc1ccc2[nH]c(-c3ccccn3)c(CCCC(=O)NNC(=O)c3ccccc3[N+](=O)[O-])c2c1 39852555 HBPKJFGYOWWOEL-UHFFFAOYSA-N 457.490 4.230 50 10 JIGE O=C(NNc1ncnc(N2CCc3ccccc32)c1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 40586202 KTRIKVMEAFZWBR-UHFFFAOYSA-N 466.501 4.354 50 10 JIGE COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc(N4CCNC4=O)cc3)c2C)cc1 214174764 DWXSYIYRDCHRDJ-HMMYKYKNSA-N 455.518 4.178 50 10 JIGE CC(=C\c1ccccc1)/C=C(/NC(=O)c1ccccc1)C(=O)NN=Cc1cc2c(cc1[N+](=O)[O-])OCO2 254794734 JWPSLLUUDCBWNN-WCCZRVHPSA-N 498.495 4.191 50 10 JIGE CC1(C)[C@H](Br)CCN1C(=O)c1cc(I)ccc1Br 386838543 REXBSJJSYHQAPW-LLVKDONJSA-N 486.973 4.442 50 10 JIGE C[C@@H]1CCc2sc(C(=O)NNC(=O)/C(C#N)=C/c3cn(CCC#N)nc3-c3ccccc3)cc2C1 914462258 GPQNPVPYQLFBQI-UOBPLZBXSA-N 484.585 4.018 50 10 JIGE Cc1ccc(C=NNC(=O)CSc2nnc(CNc3ccccc3)n2-c2ccccc2)cc1 1084172048 NAUCWKRBOKOJSE-UHFFFAOYSA-N 456.575 4.430 50 10 JIGE O=C(NN=Cc1cc([N+](=O)[O-])ccc1O)c1cccc(NC(=O)c2ccccc2Br)c1 1084387114 BZTJDQINNAMZJE-UHFFFAOYSA-N 483.278 4.079 50 10 JIGE Cc1cc(Cl)ccc1NC(=O)C(=O)NN=Cc1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 1084593404 MCACTWJVPDGSIS-UHFFFAOYSA-N 499.354 4.408 50 10 JIGE CC(C)(C)OC(=O)Nc1cc(C(=O)NNC(=O)c2ccc(Br)cc2)ccc1F 1318336633 PAQUMNOFNMVMPX-UHFFFAOYSA-N 452.280 4.010 50 10 JIGE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1sc(-c2ccccc2)nc1C 1618446983 GRFFJDUKICRBGP-KRWDZBQOSA-N 458.584 4.129 50 10 JIGE CCc1cc(Br)ccc1OCC(=O)NN=Cc1cc(Br)c(O)c(OC)c1 1772755431 HIHQYIUICUVJNH-UHFFFAOYSA-N 486.160 4.017 50 10 JIGE N#CSc1ccc(NC(=O)C2CCN(C(=O)Cc3ccc(Br)cc3)CC2)cc1 1860601354 YMRFGSBEDQVBRC-UHFFFAOYSA-N 458.381 4.442 50 10 JIGE C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)N/N=C/c4ccc(F)c(Br)c4)c(=O)c23)C1 1860774106 NAEVGDIDJBOUDG-NMQDFBSDSA-N 491.386 4.196 50 10 JIGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2)c(OC)c1 1865708499 YGNXRLDWBGJCOI-SFHVURJKSA-N 456.424 4.186 50 10 JIGE COc1ccc(-c2ccc(C(=O)NNC(=O)COc3ccc(OC)cc3C(C)(C)C)c(C)n2)cc1 1865757351 YULDYDTWUJLKQL-UHFFFAOYSA-N 477.561 4.212 50 10 JIGE CC(C)(C)OC(=O)Nc1ccc(C(=O)NC[C@@H]2C[C@H]2Br)cc1I 1897146936 DRPJCGIXXYMITG-WDEREUQCSA-N 495.155 4.151 50 10 JIGE O=C(N[C@@H](CCBr)C(F)F)c1cc(Cl)ccc1I 1918561449 UQYVEEBWQPKOGQ-VIFPVBQESA-N 452.464 4.093 50 10 JIGE F[C@@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2c1ncc(I)cc1Br 2070540523 UUDVVWQNZSTPFM-JZSSXWJLSA-N 489.952 4.291 50 10 JIGE COc1ncc(C)cc1-n1nc(CBr)c(I)c1C(F)(F)F 2078931748 XHAMUIZQHVRULW-UHFFFAOYSA-N 476.034 4.103 50 10 JIGE CN1CCC[C@@H]([C@H](Br)c2ccc(Br)cc2Br)S1(=O)=O 2089533095 WOOKVQXPQITVMV-NWDGAFQWSA-N 476.028 4.072 50 10 JIGE C[C@@H](Br)C[C@H]1COCCN1C(=O)c1cc(Br)sc1Br 2128876488 FHWKLDQBYXUYOX-SFYZADRCSA-N 476.028 4.288 50 10 JIGE Cc1ccc(S(=O)(=O)N2C[C@@H](C)N(Cc3ccccc3)C[C@H]2C)cc1CBr 2179786336 ZGVOEVKQZMBDAR-QZTJIDSGSA-N 451.430 4.173 50 10 JIGE C[C@@H](CN(C)S(=O)(=O)c1cc(CBr)sc1Br)C(F)(F)F 2179792163 CDXMGAFAVKAKLW-LURJTMIESA-N 459.147 4.224 50 10 JIGE CC1(C)CN(S(=O)(=O)c2ccc(CBr)cc2)CCCN1Cc1ccccc1 2193719816 OCMXQCGBFAQTLV-UHFFFAOYSA-N 451.430 4.257 50 10 JIGE C[C@@]1(CCOCc2ccccc2)CCN1S(=O)(=O)c1ccc(CBr)cc1F 2197750969 BBJGEWPTNJDNJP-FQEVSTJZSA-N 456.377 4.481 50 10 JIGE COc1cc(C)c(Cl)cc1[C@H](Br)c1cnn(C)c1I 2277994120 MBXSOMURAAUPRV-LBPRGKRZSA-N 455.521 4.479 50 10 JIGE CCn1ncc(-n2c(CCl)nc3ccc(Br)cc32)c1I 2280055204 BAQHJPVOSJJKRS-UHFFFAOYSA-N 465.520 4.348 50 10 JIGE O=C(N[C@H]1C[C@H](CBr)[C@H]2C[C@@H]12)c1cc(Br)c(Br)s1 2309225192 BOHHFUZBMIEUGW-PULFBKJNSA-N 458.013 4.422 50 10 JIGE Cc1ccc(N2C(=O)[C@H](C=C(C#N)C(=O)Nc3cccc(Cl)c3Cl)C(=O)NC2=S)cc1C 2313571305 RWOLVBXWADLKNU-OAHLLOKOSA-N 487.368 4.063 50 10 JIGE CCOc1cc(C=C(C#N)C(=O)NCc2ccc(OC)cc2)cc(Br)c1OCC 2313738702 PEBIPEIPSAAYBH-UHFFFAOYSA-N 459.340 4.478 50 10 JIGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)C1=CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 2314578932 DUXNOYXWFPXWAO-UHFFFAOYSA-N 470.407 4.361 50 10 JIGE CCCc1ccc(OCC(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2OC)cc1 2314737505 PYKXHBDDUKFTCU-UHFFFAOYSA-N 474.513 4.448 50 10 JIGE CN(CCn1cc(Br)cn1)c1ccc(CBr)cc1Br 2336390220 SZWPRAQRQQTXFW-UHFFFAOYSA-N 451.988 4.439 50 10 JIGE FC(F)(F)c1cnc(N2C[C@@]3(CBr)CC[C@H]2C3)c(I)c1 2361613981 JSPYJUXJHVDLEM-CABZTGNLSA-N 461.063 4.459 50 10 JIGE O=C(NCC(F)(F)C(F)(F)CI)c1cccc(Br)c1F 2361687854 VOQIHBRGVWNZPK-UHFFFAOYSA-N 471.989 4.024 50 10 JIGE O=C(c1cc(I)sn1)N1CC[C@@H](C2CCC(Br)CC2)C1 2381284641 BAFAVPYTPSDMDN-HSOILSAZSA-N 469.186 4.164 50 10 JIGE CCn1c(SCC(=O)N/N=C/c2ccc(C(C)C)cc2)nnc1-c1ccc(OC)c(OC)c1 1477931 VHEJSYAMGIRVCF-AFUMVMLFSA-N 467.595 4.348 50 10 JIGE Cc1ccc(-c2csc3[nH]c(SCC(=O)N/N=C/c4cccc([N+](=O)[O-])c4)nc(=O)c23)cc1 2613899 LVDITGRUOMPNAL-AUEPDCJTSA-N 479.543 4.111 50 10 JIGE CCOCCOc1ccc(C(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 9819850 XXBWJWXZDPNHFF-UHFFFAOYSA-N 455.338 4.029 50 10 JIGE CC[C@@H](C)c1ccccc1O[C@H](C)C(=O)NNC(=O)COc1ccc(Br)c(C)c1 9873080 CIPZIFZGJKJRPS-GDBMZVCRSA-N 463.372 4.265 50 10 JIGE Cc1cc(OCC(=O)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc(C)c1Cl 13980175 AJHGDXMAHJUAAH-UHFFFAOYSA-N 457.958 4.316 50 10 JIGE CCCOc1ccccc1C(=O)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Br 14644474 RXTRLYWPKXPZBB-LBPRGKRZSA-N 455.736 4.120 50 10 JIGE Cc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C(/C#N)C(=O)NCc1ccccc1 33567201 SSDCJVODIIVSOQ-QNGOZBTKSA-N 450.498 4.327 50 10 JIGE CC(C)(CCl)C(=O)N1CCN(C(=O)CCN2CCc3sccc3[C@@H]2c2cccc(F)c2)CC1 34830472 BPTVZIDRVZCBQK-QHCPKHFHSA-N 492.060 4.161 50 10 JIGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1 38654487 WIHDVXKYILFDBJ-XMMPIXPASA-N 457.442 4.106 50 10 JIGE Cc1ccc(OCC(=O)NN=Cc2cc(Br)c(Br)o2)c(Br)c1 252629035 TXJUQQGYENHDLT-UHFFFAOYSA-N 494.965 4.405 50 10 JIGE CCOc1ccc(C=NNC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc1OCC 254528471 OREVHKPIKSDZFP-UHFFFAOYSA-N 490.585 4.381 50 10 JIGE COC(=O)c1c(NC(=O)NN=Cc2ccc(O)c(Br)c2)sc2c1CCCC2 256017383 KLCDURJKGZUFKN-UHFFFAOYSA-N 452.330 4.037 50 10 JIGE CCN(CCOCCBr)C(=O)c1cc(Br)sc1Br 306044936 QVDGHFPVXAFUOM-UHFFFAOYSA-N 464.017 4.147 50 10 JIGE O=S(=O)(N[C@@H]1CCC[C@@H](CBr)C1)c1cc(Br)ccc1Br 312431905 LYOWATQGLDTTQW-MWLCHTKSSA-N 490.055 4.444 50 10 JIGE O=S(=O)(c1cc(CCl)sc1Br)N1CC[C@@H](OCc2ccccc2)C1 383971090 DYKWTQHIHKGNFP-CYBMUJFWSA-N 450.807 4.229 50 10 JIGE COc1cc(C=NNC(=O)[C@@H](O)c2ccccc2)ccc1OCc1ccc(Br)cc1 725443938 PRSUGGILPLVUEX-QFIPXVFZSA-N 469.335 4.220 50 10 JIGE COc1cc([N+](=O)[O-])ccc1-n1nc(C)c(C=NNC(=O)COc2ccc(C(C)(C)C)cc2)c1C 1084288088 WEPXVHXKLXYZLZ-UHFFFAOYSA-N 479.537 4.233 50 10 JIGE COCCCN1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4cccs4)cs3)cc2C1=O 1872750894 STQCVZAZGMRMPT-MNDPQUGUSA-N 451.529 4.454 50 10 JIGE O=C(N[C@@H](CBr)C[C@H]1CCCO1)c1csc(Br)c1Br 1926734869 GNCBXOVNMDQPTJ-HTQZYQBOSA-N 476.028 4.336 50 10 JIGE C[C@@H]1CN(c2ncc(I)cc2Br)CC[C@H]1Br 1988539117 CAHTWBIZEOKDCY-VXNVDRBHSA-N 459.951 4.058 50 10 JIGE O=C(N[C@H]1CC[C@H](Br)C1)c1ccc(Br)cc1I 2026212979 WYIPZCJTGDCRDP-CBAPKCEASA-N 472.946 4.100 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CC=CC[C@@H]1CBr 2056313953 BIDLCZFQGSHHOZ-SNVBAGLBSA-N 484.957 4.219 50 10 JIGE O=S(=O)(c1ccc(Br)c(CCl)c1)N1CC[C@@H](COCc2ccccc2)C1 2088574013 SOCWIRSAFGIOPL-MRXNPFEDSA-N 458.805 4.415 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CC[C@@H]2[C@H](CCl)[C@H]2C1 2093129318 QYGULMBSDGTIBO-VWYCJHECSA-N 454.533 4.001 50 10 JIGE CN(C)CCCN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)c(CCl)c1 2095866724 PCRIBXPLSIADHQ-UHFFFAOYSA-N 459.837 4.331 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1[C@H]2CC[C@@H]1C[C@@H](Cl)C2 2098692977 BIQXUMGCVDLBSP-RTCCRHLQSA-N 454.533 4.428 50 10 JIGE Brc1cnc(N2CCC3(CC2)C[C@H](Br)CO3)c(Br)c1 2116511465 UZDOJWIXVYRZCA-JTQLQIEISA-N 454.988 4.129 50 10 JIGE O=S(=O)(c1ccc(OCCBr)cc1)N(Cc1ccccc1)CC(F)(F)F 2123272056 VUDCYKYDDMSOAU-UHFFFAOYSA-N 452.292 4.214 50 10 JIGE O=C(c1cc(Br)c(Br)s1)N1CCO[C@@H]2C[C@H](Br)C[C@H]21 2128866730 HHBDPEFWDQHYRV-FTLITQJKSA-N 474.012 4.040 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CC(F)(F)C[C@@H]1CCl 2142284739 HEXMYTJRTONBPQ-MRVPVSSYSA-N 464.475 4.142 50 10 JIGE CC1(C)CO[C@@H](CBr)CN1Cc1ccc(I)c(Cl)c1 2142950547 RWGGDCGVHUDCTR-NSHDSACASA-N 458.565 4.319 50 10 JIGE C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2cc(CCl)ccc2Br)CN1Cc1ccccc1 2154839536 KKUAHSMWVNODNQ-CRAIPNDOSA-N 471.848 4.471 50 10 JIGE CN(C(=O)c1ccc(I)c(O)c1)C1CCC(CBr)CC1 2171110787 GVIQHUGZKKYOAT-UHFFFAOYSA-N 452.130 4.023 50 10 JIGE CCCCO[C@@H]1[C@H](Br)C[C@H]1Oc1ccc(OC)c(I)c1 2174964932 JVSPNCMMRNESNH-KCPJHIHWSA-N 455.130 4.400 50 10 JIGE COc1cc(C=C(C#N)C(=O)Nc2cccc3ccccc23)ccc1OCCN1CCOCC1 2295669897 HMOQSVLXIOROFF-UHFFFAOYSA-N 457.530 4.105 50 10 JIGE COCCCN1C(=O)C(=Cc2ccc(OCc3ccccc3F)c(OC)c2)C(C)=C(C#N)C1=O 2314618207 JGWPZNIRNIJRSL-UHFFFAOYSA-N 464.493 4.042 50 10 JIGE CC(=O)OCCCN1C(=O)C(=Cc2ccc(-c3ccc(Br)cc3)o2)C(C)=C(C#N)C1=O 2314620357 OBEBPRCVBMMVSM-UHFFFAOYSA-N 483.318 4.255 50 10 JIGE COc1ccc(OC)c([C@H](Br)c2c(Br)c(Br)nn2C)c1 2364228738 QHCPHQPPMDGSFL-JTQLQIEISA-N 468.971 4.447 50 10 JIGE COc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C(\c3ccccc3)c3ccccn3)c2)cc1 3222649 SMPJARMGCDDXIE-AZPGRJICSA-N 486.553 4.073 50 10 JIGE COc1ccc(-c2n[nH]c3c2[C@H](c2ccc(OC(=O)c4ccco4)c(OC)c2)C(C#N)=C(N)O3)cc1 8567385 QHJWECLOQWOFKL-OAQYLSRUSA-N 484.468 4.124 50 10 JIGE Cc1cc(Br)ccc1OCC(=O)NNC(=O)c1ccc(OCCc2ccccc2)cc1 14041610 FBQFYEIFNDMSEZ-UHFFFAOYSA-N 483.362 4.219 50 10 JIGE COc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)NCCc3cccs3)c(C)c21 40813248 LOMOLAYYMBXJTN-NLRVBDNBSA-N 451.548 4.101 50 10 JIGE CCCCCCC(=O)NNC(=O)COc1c(C)cc(Br)cc1Br 100438915 CIDFBAKCWHUPFI-UHFFFAOYSA-N 450.171 4.017 50 10 JIGE C=CCNC(=O)/C(C#N)=C1\S[C@@H](Cc2cccc(C(F)(F)F)c2)C(=O)N1c1ccc(OC)cc1 101241723 JKULEWKLIPHGLF-ZNCVUUBVSA-N 487.503 4.442 50 10 JIGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C/Nc1ccc(I)cc1 103646346 HGDNCNMORKDOCY-XSFVSMFZSA-N 483.309 4.039 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2CC[C@H](C)[C@@H]2CBr)cc1Br 227191136 CYWWECMXJISFRT-UFBFGSQYSA-N 490.055 4.314 50 10 JIGE CC(=NNC(=O)COc1c(Br)cc(C)cc1Br)c1ccccc1O 252623667 OWQUSFFPJJZFPP-UHFFFAOYSA-N 456.134 4.145 50 10 JIGE Cc1ccc(OCC(=O)NN=Cc2ccc(OC(=O)/C=C\c3ccco3)cc2)c(Br)c1 252641545 ZEPOKXXRFAKQJI-KQOURATRSA-N 483.318 4.498 50 10 JIGE N#CC1=C(N)n2c(sc(=Cc3cccc4ccccc34)c2=O)=C(C#N)[C@@H]1c1cccc2ccccc12 252669535 HUXYJFFHJKHUAA-HHHXNRCGSA-N 482.568 4.168 50 10 JIGE Cc1cc(=O)oc2cc(OCc3ccc(C(=O)NN=c4sc5ccccc5n4C)cc3)ccc12 254498110 NEBNOBWWBRAJHV-UHFFFAOYSA-N 471.538 4.479 50 10 JIGE Cc1cc(/C=C(\C#N)C(=O)OCC(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)c(C)n1-c1ccc(F)cc1 728088216 FAGYVTQMWHBHBW-PBGVMVHZSA-N 487.487 4.286 50 10 JIGE CNC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)cc1 818031095 BUXCNWZQCQVZON-QGOAFFKASA-N 458.909 4.022 50 10 JIGE N#CCCn1cc(/C=C(/C#N)C(=O)NCc2ccc3c(c2)OCCO3)c(-c2ccc(Cl)cc2)n1 818031197 CVCWJSLZZKOEGQ-UYRXBGFRSA-N 473.920 4.112 50 10 JIGE COc1cc(C=NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)cc(Br)c1O 1084206967 LOGFFWRUILFIHD-UHFFFAOYSA-N 489.153 4.339 50 10 JIGE CCOc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cc(C)cc(C)c3)c2C)S(C)(=O)=O)cc1 1084290613 VVXYKASGPXFJCR-UHFFFAOYSA-N 496.633 4.026 50 10 JIGE O=C(OCc1ccccc1)N1C[C@H](c2cc([N+](=O)[O-])ccc2O)[C@@H](CI)C1 1614809664 NKZKHVGFLZITDJ-YOEHRIQHSA-N 482.274 4.088 50 10 JIGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1cccc(OC)c1O)C(C#N)=C(N)O2 1865684236 NYXAFNDGGYELLX-FQEVSTJZSA-N 450.926 4.470 50 10 JIGE CCCn1nc(C)c2c1OC(N)=C(C#N)[C@H]2c1cc(Br)c(OC(C)C)c(OC)c1 1865697520 VKXXLSLNJKAKSK-GOSISDBHSA-N 461.360 4.378 50 10 JIGE COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2)cc1OC 1865712267 UKQNBEOVXHDYAL-LJQANCHMSA-N 486.450 4.194 50 10 JIGE O=C(NCCSCCBr)c1scc(Br)c1Br 1899637916 FKLCJDIOMAYGND-UHFFFAOYSA-N 452.031 4.131 50 10 JIGE C[C@H](Br)C1(NC(=O)c2ccc(I)c(Br)c2)CC1 1913498003 POZZBNHMFNSRDH-ZETCQYMHSA-N 472.946 4.100 50 10 JIGE CC(C)(C)OC(=O)NCCC(CCNC(=O)OC(C)(C)C)NC(=O)[C@H](Cl)c1ccccc1 2084885990 MTSWPDQMVKMDDV-GOSISDBHSA-N 470.010 4.281 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H](Br)[C@@H](C2CC2)C1 2090683312 AOJSTGRXPSQDOW-ZYHUDNBSSA-N 498.984 4.299 50 10 JIGE CC1(C)CN(C(=O)c2csc(Br)c2Br)C[C@@H](CBr)O1 2093946591 DHSLRNXLWNPOLT-SSDOTTSWSA-N 476.028 4.288 50 10 JIGE BrCCN1CCC[C@H](NCc2cc(Br)ccc2Br)C1 2118534444 JJDDFVZZTCCLNY-ZDUSSCGKSA-N 455.032 4.161 50 10 JIGE O=S(=O)(C[C@@H](Br)c1cc(Br)ccc1Br)N1CCCCC1 2145637990 XWNLUDCRFVAKPL-CYBMUJFWSA-N 490.055 4.463 50 10 JIGE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1S(=O)(=O)c1ccc(CBr)cc1 2163058309 JMBIJYPEKAAMPE-WMLDXEAASA-N 461.422 4.038 50 10 JIGE C[C@@H]1C[C@@H](N(C)S(=O)(=O)Cc2cccc(CBr)c2)CN1Cc1ccccc1 2179786213 XFDFEPVQIXVUBY-DYESRHJHSA-N 451.430 4.006 50 10 JIGE CN([C@@H]1CC[C@H]1OCc1ccccc1)S(=O)(=O)c1ccc(CCCBr)cc1 2179858907 VSXDLJDQVHMSDR-NHCUHLMSSA-N 452.414 4.382 50 10 JIGE CC(C)[C@H]1[C@@H](Br)CCN1S(=O)(=O)c1cc(Br)ccc1Br 2182499322 XAJYIHJZZVOUBS-AAEUAGOBSA-N 490.055 4.394 50 10 JIGE Cc1nc(I)c(I)n1-c1cc(F)cc(F)c1CCl 2220321293 JTPWRSRVGGRUIZ-UHFFFAOYSA-N 494.448 4.407 50 10 JIGE C[C@]1(CBr)C=CCN1S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2237160785 UGRJHNZNCCFTQG-GFCCVEGCSA-N 464.006 4.470 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1CC(F)(F)C[C@@H]1CBr 2340063305 JFUYPAXZBMWZND-MRVPVSSYSA-N 464.475 4.189 50 10 JIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(C)cc4)c32)ccc1OC(=O)c1ccco1 8557882 RHXHPRIOOWMCQL-OAQYLSRUSA-N 468.469 4.424 50 10 JIGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cccc(C)c2)c2cccc3cccnc23)cc1 8666420 IARJWVVUJDQVIA-UHFFFAOYSA-N 472.570 4.197 50 10 JIGE Cc1cccc(C(=O)NNC(=S)NC(=O)c2ccc(OCCC(C)C)c(Br)c2)c1 14645970 DCSTYJMVJQIFEZ-UHFFFAOYSA-N 478.412 4.132 50 10 JIGE COc1ccc(CCNC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccs2)CCC3)cc1OC 40823664 LLNQCCPTQZGLHI-WPWMEQJKSA-N 481.574 4.110 50 10 JIGE CC(=O)OCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)C1=O 101341127 KIXBOUNEJROTLG-MHWRWJLKSA-N 459.285 4.409 50 10 JIGE O=S1(=O)CC[C@@H](C(CBr)(CBr)Cc2ccc(Cl)cc2F)C1 164845486 UVOPEGYAFHDBRR-LLVKDONJSA-N 462.606 4.233 50 10 JIGE O=S(=O)(NCC1CCC(Br)CC1)c1cc(Cl)c(Br)s1 227811332 MDBVLFOJYGOPNK-UHFFFAOYSA-N 451.633 4.396 50 10 JIGE C[C@H](CCCBr)NC(=O)c1cc(I)ccc1Br 235420091 BSXROUJNJGLZFU-MRVPVSSYSA-N 474.962 4.347 50 10 JIGE COc1ccc(N(CC(=O)NN=C(C)c2ccccc2)S(=O)(=O)c2ccccc2)cc1Cl 252641543 ZEPJORRTQFJVTC-UHFFFAOYSA-N 471.966 4.084 50 10 JIGE CC(C)n1nnnc1COc1c(Br)cc(Br)cc1CBr 697755663 WQHFEUDEDJOICZ-UHFFFAOYSA-N 468.975 4.253 50 10 JIGE Cc1ccccc1-n1c(SCC(=O)NNC(=O)NC(C)C)nnc1-c1ccc(Cl)cc1Cl 745145549 GNXKSVGNPUQSAN-UHFFFAOYSA-N 493.420 4.380 50 10 JIGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)ccc1OCc1cccc([N+](=O)[O-])c1 1084404831 HUIKWCMQQYCIQD-JOCHJYFZSA-N 463.490 4.146 50 10 JIGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(O)c(OC)c1)C(C#N)=C(N)O2 1865705998 LMIKPDOVYBWETQ-FQEVSTJZSA-N 454.889 4.219 50 10 JIGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(C)cc2)cc1OC 1865707070 MZQSHPXMFZKNAU-GOSISDBHSA-N 456.424 4.435 50 10 JIGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1cc(OC)c(O)c(OC)c1)C(C#N)=C(N)O2 1865714290 GIWLALCYVQCTET-FQEVSTJZSA-N 484.915 4.227 50 10 JIGE Cc1nc(-c2ccc(F)cc2F)ccc1C(=O)NNC(=O)CCC(=O)c1ccc(Cl)cc1 1865759814 TVKZKKHOOJDWNH-UHFFFAOYSA-N 457.864 4.413 50 10 JIGE C[C@@H]1CN(Cc2ccccc2)CCN1S(=O)(=O)c1ccc(Br)c(CCl)c1 1885142489 SLOPNQZDNATGQM-OAHLLOKOSA-N 457.821 4.083 50 10 JIGE COc1cccc(Cn2nc(CBr)c(I)c2C(F)(F)F)c1 2079245964 SQHWPCICGWBZAN-UHFFFAOYSA-N 475.046 4.458 50 10 JIGE COc1ccccc1-n1nc(CBr)c(I)c1C(F)(F)F 2079256424 AYFDHHUUJUVPQV-UHFFFAOYSA-N 461.019 4.399 50 10 JIGE O=S1(=O)CCC[C@H]([C@@H](Br)c2ccc(Br)cc2Br)C1 2083319336 YALPKRYXPCGNPD-QPUJVOFHSA-N 461.013 4.472 50 10 JIGE O=C(NC[C@@H]1CC[C@H](Br)C1)c1ccc(Br)cc1I 2086147903 UFVPZGYHUHNXPT-BDAKNGLRSA-N 486.973 4.347 50 10 JIGE C[C@H]1C[C@H](N(C)S(=O)(=O)c2cc(CCl)oc2Br)CN1Cc1ccccc1 2098610423 YYJKFUUWGNZGRM-ZFWWWQNUSA-N 461.809 4.064 50 10 JIGE CCCN1CC[C@H]([C@@H](Br)c2ccc(Br)cc2Br)S1(=O)=O 2145775117 ZQHOCSIIJXDIEN-OLZOCXBDSA-N 490.055 4.462 50 10 JIGE Cc1cccc(C(=O)N2CC[C@@H](CCBr)[C@@H](C)C2)c1I 2172473465 KWRBUSMHXXFDKU-QWHCGFSZSA-N 450.158 4.483 50 10 JIGE Cc1oc(CBr)cc1S(=O)(=O)N1CCN(Cc2ccccc2)CC(C)(C)C1 2179814697 GLFFXPXHPNJOND-UHFFFAOYSA-N 455.418 4.016 50 10 JIGE O=S(=O)(c1ccc(Br)c(CCl)c1)N1C[C@@H]2[C@H](CCN2Cc2ccccc2)C1 2188884925 LFPQGXBKZLAKRN-OXQOHEQNSA-N 469.832 4.083 50 10 JIGE CCN1CCC[C@H]([C@H](Cl)c2ccc(Br)cc2I)S1(=O)=O 2207268676 NBBGKAAUMGONQJ-CHWSQXEVSA-N 492.604 4.148 50 10 JIGE CC1(C)OCCN(C(=O)c2csc(Br)c2Br)[C@H]1CBr 2267686140 UZOKPZPUVVMSTP-QMMMGPOBSA-N 476.028 4.288 50 10 JIGE CC(C)(C)OC(=O)N[C@@H]1CCN(CC2(CBr)CCOCC2)[C@@H](C(F)(F)F)C1 2281046344 ATTJDFPUAOAYHU-ZIAGYGMSSA-N 459.347 4.098 50 10 JIGE Cc1ccc(I)c(C(=O)NCC2(CBr)CC(F)(F)C2)c1 2281657264 WRFIGFYOXNZCLN-UHFFFAOYSA-N 458.084 4.140 50 10 JIGE O=C(NN=CC=Cc1ccccc1[N+](=O)[O-])C(=Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 2297620073 HRIIGAYNVHHCKT-UHFFFAOYSA-N 485.456 4.089 50 10 JIGE O=C(Cc1ccccc1I)N[C@@H](CCCl)COCc1ccccc1 2303702618 XKXRERLIWBNQFV-KRWDZBQOSA-N 457.739 4.164 50 10 JIGE C[C@H]1CO[C@H](CBr)CN1Cc1ccc(I)c(Br)c1 2325223646 QEACLKRJYUSKSO-GXSJLCMTSA-N 488.989 4.038 50 10 JIGE C[C@@H]1C[C@@H](CBr)CN(C(=O)c2ccc(Cl)cc2I)C1 2340056151 CXUBVJSLUCZLOS-ZJUUUORDSA-N 456.549 4.438 50 10 JIGE O=C(c1cccc(F)c1I)N1CC[C@@H]2CC[C@@H](Br)[C@H]1C2 2355755370 NPSPUJUMDKBBFG-UFGOTCBOSA-N 452.105 4.208 50 10 JIGE Cc1ccc(NC(=O)CCC(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)c(C)c1 12577100 MEKJIPVYTJXAMP-UHFFFAOYSA-N 466.365 4.336 50 10 JIGE COC1=C/C(=C/NNC(=O)c2ccc(COc3ccccc3Cl)o2)C=C(Br)C1=O 13119365 VWOPKQUYPDRJLK-ZRDIBKRKSA-N 479.714 4.022 50 10 JIGE CCCCC(=O)Nc1ccc(C(=O)NNC(=O)c2cccc(OCCOc3ccccc3)c2)cc1 14040941 UHQDYCHBJBYFHC-UHFFFAOYSA-N 475.545 4.348 50 10 JIGE O=C(CSc1nnc(-c2ccc(F)cc2)n1-c1ccc(F)cc1)NNC(=O)c1ccc(Cl)cc1 22209209 PLEPIPRQESZPRC-UHFFFAOYSA-N 499.930 4.419 50 10 JIGE CCOc1ccc(/C=N\NC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)cc1OCC 33343549 HHXKUACMWIKPHU-VYYCAZPPSA-N 476.558 4.073 50 10 JIGE CCOc1cc(/C=C2/C(=O)N(CCCOC)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 38606463 UPTRUPKSBPCKSS-KGENOOAVSA-N 478.520 4.432 50 10 JIGE COc1cccc(NC(=O)/C(C#N)=C/c2c(Oc3ccccc3OC)nc3c(C)cccn3c2=O)c1 39993104 XZQKPADTDBXKAB-NBVRZTHBSA-N 482.496 4.358 50 10 JIGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1 58893425 JROSNYSUVLGBPI-RWCDGHBOSA-N 463.534 4.185 50 10 JIGE CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)OCC(=O)Nc3ccc4c(c3)OCO4)c2C)cc1 96445789 YIEYJEKAEMGBSQ-NDENLUEZSA-N 487.512 4.310 50 10 JIGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(Br)cc2)cc1 103363241 ZLOSMIIYXNLPJW-BLJRLIBASA-N 478.346 4.379 50 10 JIGE COc1cc(C[C@H](Br)c2cc(Cl)ccc2I)ncn1 234994569 MTZHXAGCTJOBPD-NSHDSACASA-N 453.505 4.422 50 10 JIGE C[C@H]1C[C@H](Br)CN1C(=O)c1cc(Br)ccc1I 384925068 FOLPHOCNDBRPPN-CBAPKCEASA-N 472.946 4.052 50 10 JIGE O=C(c1cccc(F)c1I)N1C[C@H]2C[C@@H](Br)CC[C@H]2C1 721690366 FOGHMQZZBBHMSH-AXFHLTTASA-N 452.105 4.066 50 10 JIGE Cc1ccc(N(CC(=O)NN=Cc2ccccc2F)S(=O)(=O)c2ccc(Cl)cc2)cc1 725440640 XTMDFYPNPWRMKN-UHFFFAOYSA-N 459.930 4.133 50 10 JIGE COc1cc(/C=C(\C#N)C(=O)N(C)C)cc(I)c1OCc1cccc(F)c1 1084109916 LJNPSSTUXGIQEC-VIZOYTHASA-N 480.277 4.013 50 10 JIGE CCCOc1cccc(/C=N/NC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)c1 1860772645 CWRITFPORFLQGL-MZJWZYIUSA-N 460.559 4.373 50 10 JIGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(C(=O)O)cc2)cc1 1865709694 ZQVXFXLKCNCSTH-QFIPXVFZSA-N 464.481 4.464 50 10 JIGE CC(C)CSc1ccccc1C(=O)NNC(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O 1865852274 QZZCVJJNWVAFBY-UHFFFAOYSA-N 492.626 4.334 50 10 JIGE C[C@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1ccc(Br)s1 1914347444 FLIRZNSZOJOVLJ-LLVKDONJSA-N 453.221 4.485 50 10 JIGE O=C(c1cccc(F)c1I)N1[C@H]2CCC[C@H]1CC(Br)C2 1922790935 SKYPOLDHVIPSDE-QWRGUYRKSA-N 452.105 4.351 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CCC[C@H]1CCBr 2086147256 LCTJZIQLRIOJNO-JTQLQIEISA-N 486.973 4.443 50 10 JIGE Cc1sc(CBr)cc1S(=O)(=O)N(C)C[C@H]1CCN(Cc2ccccc2)C1 2123230096 OEVSIIFWZVFDOD-QGZVFWFLSA-N 457.459 4.094 50 10 JIGE O=C(c1cc(Br)sc1Br)N1CCO[C@@H]2C[C@H](Br)C[C@H]21 2128867506 JAZOAFWPVURPJQ-FTLITQJKSA-N 474.012 4.040 50 10 JIGE O=S(=O)([C@H]1C[C@H](OCc2ccccc2)C1)N1CCC[C@@]2(CBr)CCCC[C@@H]12 2165236828 BBWCZNYSVLWHMN-XRXFAXGQSA-N 456.446 4.484 50 10 JIGE C[C@H]1CN(Cc2ccccc2)C[C@@H](C)CN1S(=O)(=O)c1ccc(CCBr)s1 2179814997 JAHWOJWVVHBYNM-SJORKVTESA-N 471.486 4.217 50 10 JIGE CN(C1CC(OCc2ccccc2)C1)S(=O)(=O)c1ccc(CCCBr)cc1 2179857559 AWYBRUMHDWFLTN-UHFFFAOYSA-N 452.414 4.382 50 10 JIGE O=C(c1ccccc1I)N1CCC(CBr)(C(F)F)CC1 2289935125 QBSDUNYCPZVGQF-UHFFFAOYSA-N 458.084 4.174 50 10 JIGE CN(C)C(=O)C(C#N)=Cc1ccc(OCc2ccccc2F)c(I)c1 2313567080 FUBKGTWIKSAJNJ-UHFFFAOYSA-N 450.251 4.004 50 10 JIGE O=C(N[C@H]1C[C@@H](CBr)[C@@H]2C[C@@H]12)c1cc(I)ccc1Br 2329869873 JXTMBRHTQWVJSN-OIORRXCASA-N 498.984 4.203 50 10 JIGE C[C@@](NCC1CC(Br)C1)(C(=O)O)c1cc(Br)c(Br)s1 2349225201 XNVGEHFTRILQAN-FOEZSWGGSA-N 476.028 4.336 50 10 JIGE COc1cc(/C=N\NC(=O)CSc2nc3ccccc3n2Cc2ccc(C)cc2)cc(OC)c1O 33097021 FIIKCHNVKMPXJG-VYYCAZPPSA-N 490.585 4.358 50 10 JIGE COc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C(/C#N)S(=O)(=O)c1ccc(Cl)cc1 33365779 VAYBJFMSSMTIET-JXAWBTAJSA-N 493.928 4.487 50 10 JIGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)NCCCOC(C)C)c(Oc3ccc(Cl)cc3)nc12 33778624 ORFKNUNMLHGTPO-JXAWBTAJSA-N 480.952 4.287 50 10 JIGE CCCOc1ccc(/C=C2/C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1 38608318 DHGXIVHZOKRUKB-PXLXIMEGSA-N 460.530 4.328 50 10 JIGE CCOC(=O)c1ccccc1Nc1ncnc(NNC(=O)c2ccc(Cl)cc2Cl)c1N 40793516 HNNRIWRIFRUQGG-UHFFFAOYSA-N 461.309 4.043 50 10 JIGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)N/N=C(\C)c1ccccc1O 59829643 VZXQIMYJTVLSPO-KSXCTLEASA-N 485.013 4.456 50 10 JIGE O=S(=O)(NC[C@H]1CCCC[C@H]1Br)c1cc(Cl)c(Br)s1 136961540 WHCYSFJWZDXEFQ-HTQZYQBOSA-N 451.633 4.396 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CC[C@@H](CCBr)C1 232456716 OCLXEJJWONOACW-SECBINFHSA-N 486.973 4.301 50 10 JIGE COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=C(C)/C=C\c2ccco2)cc1OC 254400541 JSXJJVAWIPWUHM-SRYULLCWSA-N 459.502 4.273 50 10 JIGE COc1cc(N)ccc1[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1CI 382709065 GHHSZALXRBJGNP-CRAIPNDOSA-N 466.319 4.065 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CCS[C@H](CCCl)C1 720035582 SXQDCODORZLUAW-SNVBAGLBSA-N 474.589 4.240 50 10 JIGE CCOc1ccc(C(C)=NNC(=O)CN(c2ccccc2OCC)S(=O)(=O)c2ccccc2)cc1 1084379217 MTCGJMNSMFMEEQ-UHFFFAOYSA-N 495.601 4.220 50 10 JIGE COc1ccc(C(C)=NNC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 1084459972 QGDLFKZKFMHEGA-UHFFFAOYSA-N 485.993 4.393 50 10 JIGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2c(F)cccc2Cl)cc1OC 1865707222 RGUFJNLNADBRCU-NRFANRHFSA-N 454.889 4.268 50 10 JIGE C[C@@H](Br)[C@H](NC(=O)c1ccc(I)c(Cl)c1)C(F)(F)F 1882652935 RQMQGGBDLCOGMM-ANLVUFKYSA-N 470.454 4.389 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]2CC[C@@H]21 1985351677 IYNHOHMBRAVFTN-ZACQAIPSSA-N 461.694 4.270 50 10 JIGE O=S(=O)(C[C@H](Br)c1cc(Br)sc1Br)N1CCCC1 2028953261 NOINZCMUZLFQCA-QMMMGPOBSA-N 482.057 4.135 50 10 JIGE C[C@H](CCCCCI)NS(=O)(=O)c1sccc1Br 2054171388 SIMCQDIKPSDKDV-SECBINFHSA-N 466.204 4.173 50 10 JIGE CN(C[C@@H]1C[C@H]1Br)C(=O)c1cc(Cl)cc(Cl)c1I 2076209457 RTNQFFRWSCDQQU-IMTBSYHQSA-N 462.940 4.453 50 10 JIGE C[C@]1(NC(=O)c2ccc(Br)cc2I)CCC[C@@H]1Br 2086139555 QBLCLKYMZRNSKM-AAEUAGOBSA-N 486.973 4.490 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1[C@H]2CC[C@@H]1C[C@H](Br)C2 2098698930 LGQXJPLJOATTNS-JGPRNRPPSA-N 454.533 4.475 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CCC12CC(CCl)C2 2104538992 CMXPPSVBLPMMHJ-UHFFFAOYSA-N 454.533 4.287 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@@H](Cl)C2(CCC2)C1 2108703438 YUSXJRXERPCWSQ-GFCCVEGCSA-N 454.533 4.287 50 10 JIGE Cc1cc(Br)c([C@@H](Br)[C@H]2[C@H]3CS(=O)(=O)C[C@H]32)cc1Br 2117953812 SDBHFOCYXDWIHF-OTMMVIPVSA-N 473.024 4.247 50 10 JIGE Brc1ccc(CN2CC[C@@]3(C[C@H](Br)CO3)C2)c(Br)c1 2137150243 YNQPVRDKXOSCCA-GXTWGEPZSA-N 454.000 4.340 50 10 JIGE C[C@@H](Br)C[C@@H]1COCCN1Cc1ccc(I)c(Cl)c1 2142945656 XDZXHNANIMVCTF-ZYHUDNBSSA-N 458.565 4.319 50 10 JIGE FC(F)(F)c1cnc(N2CCC[C@@](F)(CBr)C2)c(I)c1 2157519056 UGRFKZIIPXMDCU-LLVKDONJSA-N 467.042 4.408 50 10 JIGE Cn1c(=O)n(C)c2cc([C@H](Br)C3(Br)CCC3)c(Br)cc21 2168168324 HZOJVHRFTTYWON-LBPRGKRZSA-N 466.999 4.393 50 10 JIGE Cc1cc(Br)ccc1S(=O)(=O)N[C@H](C)CCCCCI 2206678296 BTBSLTVWTNXTDE-GFCCVEGCSA-N 474.202 4.420 50 10 JIGE O=C(N1CCC[C@@H](C2CCN(CCCCCI)CC2)C1)C(F)(F)F 2220217379 PVWDRGXPHILHTH-OAHLLOKOSA-N 460.322 4.105 50 10 JIGE CC(C)(C)OC(=O)N[C@H]1CCN(CC2(CBr)CCOCC2)[C@H](C(F)(F)F)C1 2281046341 ATTJDFPUAOAYHU-KBPBESRZSA-N 459.347 4.098 50 10 JIGE C[C@]1(CNS(=O)(=O)c2cc(Br)ccc2Br)CCC[C@@H]1Br 2286874827 DRJNXWXJASRIKD-QWHCGFSZSA-N 490.055 4.444 50 10 JIGE CCOc1cc(C=C(C#N)c2nc3ccccc3[nH]2)ccc1OCc1cc(=O)n2nc(C)sc2n1 2297350718 DJNUPBBTIQQYMJ-UHFFFAOYSA-N 484.541 4.378 50 10 JIGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1C 2314760350 MJBBNHASWWWNOT-UHFFFAOYSA-N 475.457 4.338 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CC[C@@H](Br)[C@H]2CC[C@H]21 2331941156 SYPSYGQIHLOZNJ-IRUJWGPZSA-N 498.984 4.442 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1CC[C@@H](Br)[C@@H]2CC[C@@H]21 2334379762 KXQQWANDVLJFSI-CWSCBRNRSA-N 454.533 4.333 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1C[C@H](Br)C2(CCC2)C1 2340064056 DAGWKMIWJGWSAF-LBPRGKRZSA-N 454.533 4.334 50 10 JIGE Cn1nc(Br)c([C@H](Br)c2cc3c(cc2Br)OCCC3)n1 2369628602 FOYPEDMVURPCMY-LLVKDONJSA-N 465.971 4.149 50 10 JIGE O=C(NNC(=O)c1cc2cc(Br)ccc2oc1=O)c1ccc(COc2ccccc2)cc1 9981366 PTCFZZITEQEWSL-UHFFFAOYSA-N 493.313 4.209 50 10 JIGE CCCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccccc1OCc1ccccc1 14032471 RLLBQENOTIFUAP-UHFFFAOYSA-N 477.586 4.394 50 10 JIGE CCN(CC)C(=O)CN1C(=O)/C(=C(/C#N)c2nc3ccc(C)cc3[nH]2)c2cc(Br)ccc21 15218951 UXZHWSCSQXGANN-XLNRJJMWSA-N 492.377 4.283 50 10 JIGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2OC)cc1 38650073 BMVQDSZKXSNLLF-AREMUKBSSA-N 456.498 4.460 50 10 JIGE COc1ccccc1/C=C/C(=O)Oc1ccc(/C=C(\C#N)C(=O)NCc2ccco2)cc1OC 40890766 XTQHUOKLMYFZQZ-JNYZPFSCSA-N 458.470 4.139 50 10 JIGE C=CCOc1c(Br)cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc1OCC 58891555 AGLRTOXQEHUITL-YPFLROGLSA-N 461.356 4.377 50 10 JIGE Cc1ccc(NC(=O)CN2C(=O)/C(=N/NC(=O)C34CC5CC(CC(C5)C3)C4)c3ccccc32)cc1 59147288 DETBWBKZYDCBEO-QCWLDUFUSA-N 470.573 4.017 50 10 JIGE Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1/C=N/NC(=O)COc1ccc(Cl)cc1Cl 59152099 NLKJRJVIJJNNOJ-AUEPDCJTSA-N 462.293 4.233 50 10 JIGE C=CCn1c(CNc2ccccc2)nnc1S[C@H](C)C(=O)N/N=C/C(Cl)(Cl)Cl 59261666 DBLBWFLHQYOOTO-VTGBELTLSA-N 461.806 4.029 50 10 JIGE O=C(c1ccc(Br)cc1Br)N1CCC(OCCBr)CC1 232487891 KOKQNDALXJJIMT-UHFFFAOYSA-N 469.999 4.228 50 10 JIGE CCC(CBr)(CBr)NS(=O)(=O)c1cc(C)c(Br)s1 232873726 SKLLCSBXJHLIPW-UHFFFAOYSA-N 484.073 4.036 50 10 JIGE COc1ccccc1C=NNC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccccc1 254625345 QJXPEQZJGWUGPH-UHFFFAOYSA-N 457.559 4.494 50 10 JIGE C[C@H]1[C@@H](C)N(Cc2ccccc2)[C@H](C)CN1S(=O)(=O)c1cc(CCl)oc1Br 404272740 JOKGSJBJWLRDKO-KFWWJZLASA-N 475.836 4.453 50 10 JIGE O=C(NNC(=O)[C@H]1C[C@H]1c1cccc2ccccc12)c1ccccc1NS(=O)(=O)c1cccs1 730769022 CUUNWJWOYJPBML-SFTDATJTSA-N 491.594 4.267 50 10 JIGE Cc1cc(C=NNC(=O)Nc2cccc(Br)c2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 1083913696 ZCOQVMDTMKVWHX-UHFFFAOYSA-N 499.321 4.409 50 10 JIGE C=CCc1cc(C=NNC(=O)CN2CCOCC2)cc(OC)c1OCc1ccc(Cl)c(Cl)c1 1084410630 PUFWDLJIKDCXCD-UHFFFAOYSA-N 492.403 4.092 50 10 JIGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)c([N+](=O)[O-])cc1OCc1ccccc1 1084641361 LKMXRGWPZAHTFC-QFIPXVFZSA-N 463.490 4.146 50 10 JIGE CC(=O)[C@H]1CC(C(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)=NN1c1ccccc1 1569580835 ZDONWKGRKKNKLK-QGZVFWFLSA-N 458.362 4.391 50 10 JIGE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NNc2c(C)cccc2C(C)C)cc1 1637846558 CRGJAXYRMBTONO-QFIPXVFZSA-N 457.596 4.008 50 10 JIGE C#C[C@H](NC(=O)NNC(=O)COc1ccccc1-c1ccccc1)c1ccc(Cl)cc1F 1683517264 UIWYUWGMBVHYER-NRFANRHFSA-N 451.885 4.230 50 10 JIGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865711736 HCTVGEKJXRHXOK-HSZRJFAPSA-N 487.516 4.090 50 10 JIGE COC(=O)c1c(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)sc(/C(C)=C/C#N)c1C 1873428890 WPSLWPJJZHKKHR-MDWZMJQESA-N 489.509 4.412 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CN(C(=O)OC(C)(C)C)C12CCCC2 1989563461 VJYUYIHUSPKSLM-MRXNPFEDSA-N 461.694 4.414 50 10 JIGE CC1(C)CN(C(=O)c2cc(Br)ccc2I)[C@@H]1CBr 2031679332 JTFDSYPWNVDBCI-LLVKDONJSA-N 486.973 4.299 50 10 JIGE Cc1cc(S(=O)(=O)N2CCC(N(C)Cc3ccccc3)CC2)sc1CBr 2123240959 CJUBKCBRJOODKV-UHFFFAOYSA-N 457.459 4.237 50 10 JIGE CC(F)(F)C[C@H](CCl)NC(=O)c1ccc(Br)cc1I 2142288965 WOIHTNXBTQVNDN-MRVPVSSYSA-N 466.491 4.436 50 10 JIGE ClCc1ccc(Br)c(N2CCC[C@]3(CN(Cc4ccccc4)CCO3)C2)n1 2177048569 UQEDRZDSIMZUKH-NRFANRHFSA-N 450.808 4.454 50 10 JIGE C[C@H](CN(C)S(=O)(=O)c1cc(CBr)sc1Br)C(C)(F)F 2179787441 OSLBUXWWRZMBRG-SSDOTTSWSA-N 455.184 4.317 50 10 JIGE Cc1cc(CBr)ccc1S(=O)(=O)N1CCN(Cc2ccccc2)CC[C@H]1C 2179790300 BISNFJSEPYNGKE-GOSISDBHSA-N 451.430 4.175 50 10 JIGE Cc1csc(CBr)c1S(=O)(=O)N1C[C@@H]2CN(Cc3ccccc3)CC[C@H]2C1 2179818093 VIFUSUJCDMMQSP-ROUUACIJSA-N 469.470 4.094 50 10 JIGE O=C(c1cc(C(F)(F)F)ccc1Br)N1C[C@H](Br)[C@@H](Br)C1 2196129773 RGZLHJXAHIFIFC-UWVGGRQHSA-N 479.916 4.451 50 10 JIGE Cn1nc(Br)c([C@@H](Br)c2cc(Br)cc3c2OCCC3)n1 2235268399 FJPGVCROPLLNKY-JTQLQIEISA-N 465.971 4.149 50 10 JIGE CN(CCN(Cc1ccccc1)S(=O)(=O)CC(C)(C)CBr)Cc1ccccc1 2242235948 ZMAMGTUNSDZHHC-UHFFFAOYSA-N 467.473 4.372 50 10 JIGE C[C@]1(CCl)C=CCCN1C(=O)c1cc(I)ccc1Br 2264391060 FZEJUVKYKCLBKE-CQSZACIVSA-N 454.533 4.453 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1C[C@@H]2C[C@@H](CBr)[C@@H]2C1 2268345755 OEJJZJBSNXAGNQ-DCAQKATOSA-N 454.533 4.048 50 10 JIGE O=C(NC[C@@]12CCC[C@]1(CBr)C2)c1c(F)cccc1I 2282812593 UHPFLLHKWCOWQJ-CABCVRRESA-N 452.105 4.115 50 10 JIGE COC(=O)c1ccccc1-c1ccc(C=C(C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)o1 2297382450 VWFVHYPAADVHBH-UHFFFAOYSA-N 482.496 4.077 50 10 JIGE CCN(CC)CCOC(=O)c1ccc(NC(=O)C(C#N)=Cc2ccc(Br)cc2)cc1 2329662051 ATDBWSXJGXHBQB-UHFFFAOYSA-N 470.367 4.493 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1[C@H]2CC[C@H](C2)[C@@H]1CBr 2340055753 AVDJDBKKKQNXKU-DVYJOKAKSA-N 454.533 4.333 50 10 JIGE CN(C(=O)c1ccc(Cl)cc1I)[C@@H](CCBr)C(F)F 2340060186 ZVYXBJYSHNXHFQ-JTQLQIEISA-N 466.491 4.435 50 10 JIGE COc1ccc(CCCCO[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2I)cc1 2344004545 VRXADNKYAHUMOW-ROUUACIJSA-N 475.367 4.457 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)[C@@H](Br)C2CCCC2)[C@@H]1C(F)(F)F 2370173280 VQAQRVUCDHDPNR-MELADBBJSA-N 457.331 4.387 50 10 JIGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)/C=C/c2ccccc2Cl)cc1 13981392 YROHRGULVABGFD-NTCAYCPXSA-N 492.988 4.250 50 10 JIGE CCOc1ccc(NC(=O)CCC(=O)NNC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)cc1 14038669 KHVPNCOZKPDFAM-LJQANCHMSA-N 475.545 4.086 50 10 JIGE Cc1cc(Br)ccc1OCC(=O)NNC(=O)c1ccc(OCCOc2ccccc2)cc1 14039515 UYOYPMSQTLSILO-UHFFFAOYSA-N 499.361 4.055 50 10 JIGE CCN1C(=S)N[C@H](c2ccc(NC(=O)C(C)(C)CCl)cc2)C(C(=O)OC(C)C)=C1C 16609267 WOSVBMYHCUOICQ-GOSISDBHSA-N 452.020 4.367 50 10 JIGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1cc2ccccc2oc1=O 40928773 JZBBJXXMVDTAGM-XDHOZWIPSA-N 484.464 4.227 50 10 JIGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\Nc3ccccc3Br)C2=O)cc1 101234024 KHXRONBZHSLZLX-XMHGGMMESA-N 466.335 4.205 50 10 JIGE CCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(N)=O)cc2OC)cc1OCC 207295640 NUQQFNFDAAPHMN-INBJJMLYSA-N 464.518 4.284 50 10 JIGE O=C(Cn1c2ccccc2c(=O)c2ccccc21)NN=Cc1cc([N+](=O)[O-])ccc1N1CCCCC1 254339501 CTGBYKAHHPGOAN-UHFFFAOYSA-N 483.528 4.204 50 10 JIGE CCOc1cc(C=NNC(=O)c2ccc3c(c2)OCO3)ccc1OCc1ccc([N+](=O)[O-])cc1 254394909 XPXKIHBUNYPMOK-UHFFFAOYSA-N 463.446 4.065 50 10 JIGE COc1ccc(-c2ccc(C=NNC(=O)Cn3c4ccccc4c(=O)c4ccccc43)o2)c([N+](=O)[O-])c1 254671298 SACBVHQCWQJDJF-UHFFFAOYSA-N 496.479 4.482 50 10 JIGE C=CCc1ccccc1OCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OC)cc2)c(OC)c1 254872779 YUBAODXONSMFKL-UHFFFAOYSA-N 474.513 4.181 50 10 JIGE BrCCCc1ccc(I)c(I)c1 307535852 RZSYNLLYKMQDSN-UHFFFAOYSA-N 450.883 4.223 50 10 JIGE C[C@@H]1C[C@H](I)[C@H](CI)[C@@H](C)N1C(=O)OC(C)(C)C 307742233 UJALOFWTHLDROB-DBIOUOCHSA-N 479.140 4.259 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CCSC[C@@H]1CCCl 689281831 ZINMSSBKHAVFBR-JTQLQIEISA-N 474.589 4.240 50 10 JIGE COc1ccc(C[C@@H](NC(=O)NNC(=O)c2cccc3cccnc23)c2ccccc2)cc1OC 727477901 QHUZTCVFNMDZJR-JOCHJYFZSA-N 470.529 4.180 50 10 JIGE Cc1cc(C=NNC(=O)c2ccc(CN3CCOCC3)cc2)c(C)n1-c1ccc(Cl)cc1 1083891816 MFIZKKYRJFXFGK-UHFFFAOYSA-N 450.970 4.344 50 10 JIGE O=C(NN=C1C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc21)c1cccc2ccccc12 1084018879 VWOPOGZYADLTFB-UHFFFAOYSA-N 450.454 4.429 50 10 JIGE CCOc1ccc(N(CC(=O)NN=Cc2ccc(SC)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 1084120398 KWFSIUHXIHFNTQ-UHFFFAOYSA-N 497.642 4.461 50 10 JIGE Cc1ccc(N(CC(=O)NN=Cc2c(F)cccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1 1084341887 GZIQCAVZPNKCTN-UHFFFAOYSA-N 473.957 4.442 50 10 JIGE Cc1c(C(=O)Nc2ccc(F)cc2F)oc2c1C(=NNC(=O)COc1ccccc1)CCC2 1772749569 MYWHUGRJGBVUED-UHFFFAOYSA-N 453.445 4.354 50 10 JIGE C[C@@H](C(=O)N/N=C/c1ccccc1C(F)(F)F)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1860773577 AVIWDCXAHYSZEE-QZZUXPRCSA-N 462.497 4.313 50 10 JIGE CCN(CC)C(=O)COc1ccc(/C=N\NC(=O)c2ccc(-c3cccc(OC)c3)nc2C)cc1 1865761641 PBILCTSICNJHBI-QRQIAZFYSA-N 474.561 4.077 50 10 JIGE CC1(C)C[C@@H](Br)CN(S(=O)(=O)c2cc(Br)ccc2Br)C1 1923190667 CUIGGGILNNVLBH-SNVBAGLBSA-N 490.055 4.396 50 10 JIGE CC1([C@@H](CBr)NC(=O)c2cc(Br)ccc2I)CC1 2033130256 OXGJEUIZMDEVOK-LLVKDONJSA-N 486.973 4.347 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@@H]2CC[C@@H](Cl)[C@H]2C1 2087941847 WWHICYXXAHLETP-KPXOXKRLSA-N 454.533 4.143 50 10 JIGE Cc1sc(C)c(S(=O)(=O)N[C@@H](CBr)CC(F)(F)F)c1Br 2143912691 DVODKTNGVXLZPR-SSDOTTSWSA-N 459.147 4.122 50 10 JIGE O=C(c1cc(Br)c(Br)s1)N1CCC2(CC1)C[C@H](Br)CO2 2173170321 JHXXUKWFOGQHJM-QMMMGPOBSA-N 488.039 4.432 50 10 JIGE O=C(c1cccc(I)c1)N1C[C@]2(F)CCC[C@]2(CBr)C1 2176629574 DSFZLXFSHLNNGM-LSDHHAIUSA-N 452.105 4.021 50 10 JIGE O=S(=O)(c1cc(CBr)cs1)N1CC[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 2179820795 CBGDMRNUGDZXMH-MOPGFXCFSA-N 469.470 4.176 50 10 JIGE COCCCN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)cc(CBr)c1OC 2179826667 VKGUJOKUYUMKGO-UHFFFAOYSA-N 476.820 4.471 50 10 JIGE CN(C[C@H]1C[C@H]1Br)S(=O)(=O)c1cc(Cl)cc(CBr)c1Cl 2196936585 SIVSQXRZJUBLAN-PSASIEDQSA-N 466.022 4.292 50 10 JIGE O=S1(=O)CC[C@H]([C@@H](Br)c2cc(Br)c(Br)cc2F)C1 2218596632 HEENKXAEJURAFS-UPONEAKYSA-N 464.976 4.221 50 10 JIGE CC[C@H]1[C@H](Br)CCN1C(=O)c1ccc(I)c(Br)c1 2260370614 DPWFLIPLEDETEZ-SKDRFNHKSA-N 486.973 4.442 50 10 JIGE O=C(NC[C@@H](CBr)C1CCC1)c1ccc(Cl)c(I)c1 2268340723 BTHLSKYCMPRFFZ-LLVKDONJSA-N 456.549 4.486 50 10 JIGE COc1ccc([C@@H](Cl)c2nn(C)c(Br)c2C)cc1I 2269551179 JRYNQDCHKKPOLR-LLVKDONJSA-N 455.521 4.432 50 10 JIGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NC[C@H]2CCCO2)cc1 2296729351 CQEDHRGZIHNTAU-RUZDIDTESA-N 454.530 4.306 50 10 JIGE COc1ccccc1C=C(C#N)C(=O)Oc1ccc(C=C(C#N)C(=O)NCc2ccco2)cc1 2314755233 ZWSJZIAVAOZPIH-UHFFFAOYSA-N 453.454 4.024 50 10 JIGE O=C(N[C@@H]1C[C@@H](CCl)[C@H]2C[C@H]21)c1ccc(I)c(Br)c1 2329872481 ZPVXUNBQXUXRCD-DCJFZGGZSA-N 454.533 4.047 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@H]2CC[C@H]1C[C@@H]2Br 2337063841 IKBSJCRNHXSVHO-QRTLGDNMSA-N 498.984 4.442 50 10 JIGE C[C@@]1(NC(=O)c2csc(I)c2)C[C@H]2CC[C@H]1C[C@@H]2Br 2352782248 AMJYQBHWGZORHZ-RTOGKPCTSA-N 454.171 4.425 50 10 JIGE CCCOc1ccccc1C(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 14036660 GFVIWENCSRFSPL-UHFFFAOYSA-N 463.372 4.375 50 10 JIGE Cc1ccc(NC(=O)CCC(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)c(C)c1 14644285 UNHYVTHGGCTOEN-CQSZACIVSA-N 496.789 4.053 50 10 JIGE CC[C@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2cccc(OCCC(C)C)c2)cc1 14644961 LQPQLSSMSYEWKR-SFHVURJKSA-N 471.623 4.340 50 10 JIGE Cc1ccc(S(=O)(=O)n2cc(/C=C(/C#N)C(=O)Nc3ccc(C(=O)O)cc3)c3ccccc32)cc1 33888455 BWCIUJWGOQIHHM-RGEXLXHISA-N 485.521 4.431 50 10 JIGE O=C(NNc1ncnc(Nc2ccc(F)cc2F)c1[N+](=O)[O-])c1ccc(Cl)cc1Cl 40658817 MWBMVMWVCGSEEX-UHFFFAOYSA-N 455.208 4.470 50 10 JIGE Cc1c(C(=O)NCc2ccco2)oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2 40812908 CQXGIOAAYKLJIR-KOEQRZSOSA-N 470.323 4.344 50 10 JIGE COc1cc(/C=N/NC(=O)CSCc2ccccc2)ccc1OCc1ccc(C(=O)O)cc1 59147337 UZYHTFFVAWTJKF-VULFUBBASA-N 464.543 4.356 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N[C@H]2CCC[C@@H]2CBr)cc1Br 231619490 AOVVBCOUZPFADF-SKDRFNHKSA-N 490.055 4.362 50 10 JIGE COc1cc(C(C)=NNC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C)cc2)ccc1O 254395568 NZXPLBVUPDCQQU-UHFFFAOYSA-N 488.569 4.041 50 10 JIGE O=C(NN=Cc1cccc(Br)c1)c1ccc(NS(=O)(=O)c2cccs2)cc1 254735714 STFJVFHJTYERQU-UHFFFAOYSA-N 464.366 4.075 50 10 JIGE O=C(CSc1ccc([N+](=O)[O-])cc1)NN=Cc1ccccc1OCc1ccc(C(=O)O)cc1 254815453 APZMYJGAJGGSJC-UHFFFAOYSA-N 465.487 4.114 50 10 JIGE O=S(=O)(NC[C@@H]1CCCCN(Cc2ccccc2)C1)c1ccc(CBr)cc1 312715470 QTHCXXUFAICLTL-FQEVSTJZSA-N 451.430 4.162 50 10 JIGE C[C@H]1C[C@@H](Br)CN1C(=O)c1cc(I)ccc1Br 384926510 FYSLPOGDXBBHQV-JGVFFNPUSA-N 472.946 4.052 50 10 JIGE O=C(NCCCCCBr)c1ccc(I)c(Br)c1 721593405 KCGZWEXUEDFGRG-UHFFFAOYSA-N 474.962 4.349 50 10 JIGE CC(=O)N1CCN(c2ccccc2CNC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(F)cc3)c2C)CC1 725742939 HLDHVFITCNEMCT-UQQQWYQISA-N 499.590 4.125 50 10 JIGE N#CCCn1cc(/C=C(\C#N)C(=O)N2CCC[C@@H](c3cc[nH]n3)C2)c(-c2ccc(Cl)cc2)n1 726529067 HIRWADIYHUNYCS-UIMCMNAESA-N 459.941 4.153 50 10 JIGE C=CCc1cccc(C=NNC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)c1O 1084301136 PZEACHARLIWBHL-UHFFFAOYSA-N 470.558 4.006 50 10 JIGE CCOc1ccccc1NC(=O)NN=Cc1cc(C)n(-c2cc(C(=O)O)cc(C(=O)O)c2)c1C 1084414239 HYYJMYACDOLGQS-UHFFFAOYSA-N 464.478 4.045 50 10 JIGE Cc1ccc(-c2csc3ncn(CC(=O)NNC(=O)c4cc(Cl)cc(Cl)c4)c(=O)c23)cc1 1860770547 MWNRAJXBPMXVHG-UHFFFAOYSA-N 487.368 4.201 50 10 JIGE CCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1cc(Br)c(O)c(OC)c1)C(C#N)=C(N)O2 1865689060 JBLACCXRCQPFNM-FQEVSTJZSA-N 495.377 4.497 50 10 JIGE N#CSc1ccc(NC(=O)[C@@H](CO)NC(=O)CC(c2ccc(F)cc2)c2ccc(F)cc2)cc1 1866755199 CFCHXMDZYDVLRL-HSZRJFAPSA-N 481.524 4.176 50 10 JIGE CC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@@H](CBr)C(C)C)cc1 1915302025 XATDLTCTQAQETG-FQEVSTJZSA-N 453.402 4.255 50 10 JIGE C[C@H](Br)[C@@H]1CCN1C(=O)c1ccc(Br)cc1I 2026216520 GCFDJWOHDLHFLK-CPCISQLKSA-N 472.946 4.052 50 10 JIGE O=S1(=O)C[C@@H]2[C@H]([C@@H](Cl)c3c(Br)sc(Br)c3Cl)[C@@H]2C1 2054228815 ZWAZTVHTYHMCTH-LPWFLVPJSA-N 455.020 4.497 50 10 JIGE Cc1c(Cl)cc(C(=O)N2C[C@H](Br)[C@@H](Br)C2)cc1Br 2075319492 TYUCBKQTXWEWEG-UWVGGRQHSA-N 460.391 4.394 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1C[C@H](C2CC2)[C@@H](Br)C1 2090685446 PEZJPTTVZLJPCW-MNOVXSKESA-N 454.533 4.190 50 10 JIGE C[C@@H]1CN(Cc2cc(Cl)ccc2I)C[C@@H](CCBr)O1 2122788220 HAEFMSRWFOCMBG-ZWNOBZJWSA-N 458.565 4.319 50 10 JIGE O=C(c1cccc(F)c1I)N1C[C@@H]2CCC[C@]2(CBr)C1 2159403917 FPQXKPDGMOHKAH-BONVTDFDSA-N 452.105 4.068 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)NC2(CBr)CC(C)C2)cc1Br 2163541286 QPDJMBICAJCANG-UHFFFAOYSA-N 490.055 4.362 50 10 JIGE CC(C)(C)OC(=O)N(CC(F)F)[C@H]1CCCN(C(=O)[C@H](Br)C2CCCC2)C1 2167032888 LFAKXTSVUIXOOS-GOEBONIOSA-N 453.368 4.433 50 10 JIGE O=S(=O)(c1ccc(CCCBr)cc1)N1CCC[C@H](OCc2ccccc2)C1 2186382364 UQJIOBDYOVMJOM-FQEVSTJZSA-N 452.414 4.384 50 10 JIGE CC(C)(C)OC(=O)Nc1ccc(OC(F)(F)F)cc1C(=O)NC[C@H]1C[C@@H]1Br 2237288573 CNEHMVRJQJERMK-SKDRFNHKSA-N 453.255 4.445 50 10 JIGE COc1cc(C=NNC(=O)c2ccccc2N)ccc1OCc1ccc(Br)cc1 2323203105 SOWPIKYABMPNGF-UHFFFAOYSA-N 454.324 4.383 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CC(C)(C)[C@@H]1OCc1ccccc1 2325069592 FPXYJKSSBIIAJX-MBSDFSHPSA-N 484.684 4.321 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@H]2C[C@@H](CCl)[C@H]2C1 2330494541 VYRWHKGFHYKQHV-YGOYTEALSA-N 454.533 4.001 50 10 JIGE N#CC(=C(O)CN1C(=O)COc2ccc(Cl)cc21)c1nc(-c2ccc3c(c2)OCCO3)cs1 2331331684 CZOCHBCTXGFHHE-UHFFFAOYSA-N 481.917 4.453 50 10 JIGE Cn1cnc(Br)c1[C@H](Br)c1cc(I)cc2c1OCC2 2337330499 PXPCAOLEQWGSTI-SNVBAGLBSA-N 497.956 4.206 50 10 JIGE CN(Cc1c(Br)c(Br)nn1C)C[C@H](CBr)C1CCC1 2338944022 JEGVYNFOTJGLCK-JTQLQIEISA-N 458.036 4.188 50 10 JIGE Cc1ncnc(N2CCC3(CCC(CBr)CC3)C2)c1I 2365443916 PRVYSDYVSUAISJ-UHFFFAOYSA-N 450.162 4.171 50 10 JIGE Cc1ccc(O[C@H](C)C(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)cc1C 10153146 FGQAEAIKNLUZMW-ZIAGYGMSSA-N 469.763 4.102 50 10 JIGE C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=S)NC(=O)/C=C/c1cccc2ccccc12 14031750 XMPRXAKNELZYAT-QRURKXGXSA-N 469.566 4.496 50 10 JIGE CC(C)c1ccc(OCC(=O)NNC(=O)COc2ccc(Br)cc2C(C)(C)C)cc1 14668127 BXEORJGNLQCVPA-UHFFFAOYSA-N 477.399 4.475 50 10 JIGE COc1cc(/C=C(/C#N)c2ccccc2)ccc1OC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O 31901882 NNNOBDZHLUEOCR-LCJWNIEWSA-N 452.466 4.349 50 10 JIGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc([N+](=O)[O-])c2)c1 38654041 DNJJOTYGPRHPFZ-QHCPKHFHSA-N 457.442 4.431 50 10 JIGE O=C(NNc1ncnc(Nc2ccc(Cl)c(C(F)(F)F)c2)c1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 40658130 INAZQPVDTKBSIN-UHFFFAOYSA-N 497.777 4.466 50 10 JIGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)c1ccccc1[N+](=O)[O-] 40869983 ZIBPBHYSWOJIIE-CPNJWEJPSA-N 457.442 4.046 50 10 JIGE O=C1/C(=N/NC(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc2N1Cc1ccc([N+](=O)[O-])cc1 59166816 YBFAEIPZHQYQRX-SLEBQGDGSA-N 458.518 4.178 50 10 JIGE O=C(NN=Cc1ccc(-c2ccc(I)cc2)o1)c1ccc2c(c1)OCO2 252588403 ABZUMSGAONDGPV-UHFFFAOYSA-N 460.227 4.044 50 10 JIGE COc1cc(C=NNC(=O)CSc2nc3ccccc3o2)ccc1OC(=O)c1cccc(F)c1 252624818 PVUQVEPJWMXCJM-UHFFFAOYSA-N 479.489 4.437 50 10 JIGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccc(C)o3)nnc2-c2ccc(C)cc2)cc1 254865971 RZJWUTKOQZSRFY-UHFFFAOYSA-N 461.547 4.395 50 10 JIGE O=S(=O)(NCC1(N(Cc2ccccc2)Cc2ccccc2)COC1)c1ccc(CCCl)cc1 705864676 LFXRKQSWINAISA-UHFFFAOYSA-N 485.049 4.218 50 10 JIGE O=C(Nc1cc(F)ccc1C(=O)NNc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccoc1 728216739 FBEUEQFATDEEKX-UHFFFAOYSA-N 494.504 4.229 50 10 JIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc(Cl)c2)cc(OC)c1OC 1865692077 IQZDXYIYWGBEIU-HXUWFJFHSA-N 452.898 4.078 50 10 JIGE COc1ccc(/C=N/NC(=O)CCc2nc3ccccc3[nH]c2=O)cc1OCc1cccc(Cl)c1 1873496564 YCTMNRIFFHJWKY-RWPZCVJISA-N 490.947 4.247 50 10 JIGE CN(C[C@H]1C[C@@H](Br)C1)S(=O)(=O)c1cc(CCl)sc1Br 1887874508 YBMGSFRPGZMZDQ-OCAPTIKFSA-N 451.633 4.043 50 10 JIGE O=C(NC[C@@H](Br)CBr)c1scc(Br)c1Br 1961824103 PVNLMSLPWNBDCJ-BYPYZUCNSA-N 484.833 4.161 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CN(C(=O)OC(C)(C)C)[C@H]2CCC[C@@H]12 1985351680 IZCVETCHIQBWEB-BBWFWOEESA-N 461.694 4.270 50 10 JIGE C[C@H]1C[C@H](CBr)CN1c1ncc(I)cc1Br 1988538484 SMBPEQYASDDCDM-JGVFFNPUSA-N 459.951 4.058 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1C[C@H]2CC[C@H]1CN2C(=O)OC(C)(C)C 1989306105 VZFSPXQHZHQUIY-GVDBMIGSSA-N 461.694 4.270 50 10 JIGE C[C@@H](Br)[C@@H]1CCCN(c2ncc(I)cc2Br)C1 2015763183 VLUXMLDWQQSASX-RKDXNWHRSA-N 473.978 4.449 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1cc(Br)cnc1Cl 2061270711 QOGFJEBFTCVRBW-UHFFFAOYSA-N 470.842 4.133 50 10 JIGE FC1(F)CCN(c2ncc(I)cc2Br)CC[C@@H]1Br 2069531460 IRWCPKRHLKJHFH-VIFPVBQESA-N 495.931 4.448 50 10 JIGE BrCCN1CCCN(Cc2c(Br)cccc2Br)CC1 2094100294 PRSQUGSDNORJHJ-UHFFFAOYSA-N 455.032 4.114 50 10 JIGE Cn1nc(CC(CBr)(CBr)c2ccccc2)cc1Br 2111927362 XKUOXIODWWCOGO-UHFFFAOYSA-N 451.000 4.453 50 10 JIGE C[C@@H](Br)CN1CCN(Cc2cc(Br)ccc2Br)CC1 2118520174 RHAKWUDKJRCODG-LLVKDONJSA-N 455.032 4.113 50 10 JIGE C[P@@]1(=O)C[C@H](NC(=O)c2c(Br)cccc2Br)[C@@H](Br)C1 2121384400 KSOTYMNXVYXVIN-GJPGNPISSA-N 473.927 4.080 50 10 JIGE O=C(N[C@@H]1CC[C@@H]2C[C@]21CCl)c1cc(Br)ccc1I 2132110014 BHBBBMOBDIMQJS-RGZBUGHASA-N 454.533 4.191 50 10 JIGE ClCc1nc2cccc(Br)c2n1CCn1cc(I)cn1 2153500059 MPCMGGFFWCDJAT-UHFFFAOYSA-N 465.520 4.039 50 10 JIGE CN(C(=O)c1ccc(I)c(O)c1)C1(CBr)CC(C)(C)C1 2164566473 DGGBZPYJVQDXRG-UHFFFAOYSA-N 452.130 4.023 50 10 JIGE CC1(C)C[C@@H](CBr)CN(C(=O)c2cccc(F)c2I)C1 2172576265 YTWROHXZOHMFBQ-JTQLQIEISA-N 454.121 4.314 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1CCC2(CC(Br)C2)C1 2174079035 YYWHUXATVNPJSA-UHFFFAOYSA-N 488.039 4.150 50 10 JIGE Cc1sc(CBr)cc1S(=O)(=O)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 2179815598 FRCGXOCUEXICIL-HXUWFJFHSA-N 469.470 4.238 50 10 JIGE Cn1nc(Br)c(C[C@@H](CBr)Cc2ccccc2Br)n1 2226984263 BYLZPQWSPKTGTI-VIFPVBQESA-N 451.988 4.136 50 10 JIGE N=c1[nH]c2ccc(CC(=O)NN=Cc3c(O)ccc4cc(Br)ccc34)cc2s1 2323602439 QEUAYQVOTPCRAF-UHFFFAOYSA-N 455.337 4.023 50 10 JIGE ClC[C@H](C[C@H]1CCCO1)NCc1ccc(I)c(Br)c1 2349858238 VNEWXMCGTDSISM-NWDGAFQWSA-N 458.565 4.320 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@](C)(C(=O)O)c1ccc(Br)s1 2350354534 GULXYMOYLVZVDV-INIZCTEOSA-N 485.491 4.306 50 10 JIGE Cc1cc2c(cc1Br)NC(=O)/C2=N\NC(=O)c1ccccc1OCc1ccccc1 14030707 IDCNGPAZTRNWOI-UHFFFAOYSA-N 464.319 4.423 50 10 JIGE Cc1c(C(=O)N2c3ccccc3C[C@@H]2C)oc2c1/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 40814567 AEBFSJSZJBRAFD-KZGYCHBNSA-N 486.528 4.487 50 10 JIGE COc1cc(/C=C(\C#N)c2ccccc2)ccc1OC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O 40851128 NNNOBDZHLUEOCR-HDAKKWKLSA-N 452.466 4.349 50 10 JIGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)N/N=C(\C)c1cccnc1 59261093 ZAHYXBMMUCXHJR-KSXCTLEASA-N 470.002 4.146 50 10 JIGE CCCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C(C#N)=C\c2ccc(OCC)c(OC)c2)cc1 207132408 WSLQXLONMBOZPF-HHQODBOJSA-N 473.529 4.430 50 10 JIGE C[C@H](CBr)[C@@H](C)NC(=O)c1cc(I)ccc1Br 235417973 SBFLAUXVUNJGCX-HTQZYQBOSA-N 474.962 4.203 50 10 JIGE C=CCOc1ccccc1CN1C(=O)C(=NNC(=O)COc2cccc(C)c2)c2ccccc21 245263982 BVJPXVMYGJHZPZ-UHFFFAOYSA-N 455.514 4.006 50 10 JIGE COc1ccc(-c2nnc(SCC(=O)NN=C(C)c3cccnc3)n2-c2ccc(C)cc2)cc1 254867851 LWXIIORPNFNVER-UHFFFAOYSA-N 472.574 4.279 50 10 JIGE C[C@H]1C[C@H](Br)CN(C(=O)c2cc(Br)ccc2I)C1 401938237 GBHNWAIZKKUYNH-WPRPVWTQSA-N 486.973 4.299 50 10 JIGE CS(=O)(=O)CC1(COc2c(Br)cc(CBr)cc2Br)CC1 697018348 NIGMTAFVQPPOSZ-UHFFFAOYSA-N 491.039 4.310 50 10 JIGE Cc1ccccc1CN1CCC(NC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)CC1 918601941 GSTBUCXVQIWXDP-BWAHOGKJSA-N 478.600 4.460 50 10 JIGE N#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1Br 1083912982 XWPFMWGLRHXEPD-SFQUDFHCSA-N 485.769 4.261 50 10 JIGE COc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3)cc2)cc1OC 1565517968 NEWLJWWIJWUZBY-UHFFFAOYSA-N 467.909 4.025 50 10 JIGE COc1ccc(C(=O)NN=C2CCCc3oc(C(=O)N4CCc5ccccc5C4)c(C)c32)cc1 1772745800 LBJQCISVBAVTTL-UHFFFAOYSA-N 457.530 4.266 50 10 JIGE O=S(=O)(NC[C@H](CBr)C1CCC1)c1cc(Cl)c(Br)s1 2089963315 NJYGNFYSEAWDBB-QMMMGPOBSA-N 451.633 4.254 50 10 JIGE O=C(c1cc(Br)cc(Br)c1)N1C[C@H](C2CC2)[C@@H](Br)C1 2090684710 KREOWQRVEKYGJM-OLZOCXBDSA-N 451.984 4.457 50 10 JIGE CC(C)[C@@H]1CN(S(=O)(=O)c2cc(CBr)cs2)CCN1Cc1ccccc1 2123226039 WZXPQYKFIIGASQ-SFHVURJKSA-N 457.459 4.174 50 10 JIGE CSCC[C@@H](Br)CCNS(=O)(=O)c1c(C)sc(C)c1Br 2146555611 SZXXCUROUACVDP-JTQLQIEISA-N 465.298 4.312 50 10 JIGE O=C(c1c(F)cccc1I)N1CC2(CC[C@H]1CBr)CC2 2282791733 JEKLIHIXPQXMNX-JTQLQIEISA-N 452.105 4.210 50 10 JIGE N#CC(=Cc1ccccc1OCC(=O)NCc1ccccc1)c1nn(-c2ccccc2)c(N)c1C#N 2297369254 RSAGFFCMMDGWRP-UHFFFAOYSA-N 474.524 4.086 50 10 JIGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)c(Cl)c1O 2313568414 VWCCXUANTKSDDM-UHFFFAOYSA-N 476.758 4.072 50 10 JIGE COc1ccc(NC(=O)C(C#N)=CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1OC 2318454320 PMAUUEQPOGFJHS-UHFFFAOYSA-N 482.584 4.457 50 10 JIGE O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)NN=Cc1ccc(Br)cc1F 2325903647 KBDWBIYVBCPDLR-UHFFFAOYSA-N 485.338 4.177 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2C[C@@H]3C[C@@H](Br)[C@H]2C3)cc1Br 2355623098 BTMNUSXCQSRAHT-HLUHBDAQSA-N 488.039 4.066 50 10 JIGE Clc1ccc(CN2CC3(CCOCC3)[C@H]2CBr)c(I)c1 2381029716 ABZRDJKOJJKFSE-CQSZACIVSA-N 470.576 4.321 50 10 JIGE COc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)cc1Br 12579478 DUJMCOOAFCEMII-UHFFFAOYSA-N 482.334 4.093 50 10 JIGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)COc2ccc(Br)cc2Cl)c1 13977999 PGZWECBRZDFRMK-UHFFFAOYSA-N 469.763 4.140 50 10 JIGE COc1cccc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c1OS(=O)(=O)c1ccc(C)cc1 34377814 DAYIRSYDNSAAEM-UYRXBGFRSA-N 492.509 4.015 50 10 JIGE CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccc(C)cc3)cc2)C1=O 38608928 CZIQREMYYMSUEZ-BUVRLJJBSA-N 458.514 4.120 50 10 JIGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(OCCC(C)C)c(OC)c2)cc1 40992558 ARZJRSIVXDTEHN-SYZLQHNFSA-N 492.572 4.408 50 10 JIGE O=C(N/N=C1/C(=O)N(Cc2cccc3ccccc23)c2ccccc21)c1ccccc1[N+](=O)[O-] 59153667 YCQCXXSMITWLQO-SOYKGTTHSA-N 450.454 4.429 50 10 JIGE CC(C)C(=O)NNC(=O)[C@@H](C)Sc1nnc(C23CC4CC(CC(C4)C2)C3)n1-c1ccccc1 253560907 BKQKISZYYSRKSV-ASXFNGKXSA-N 467.639 4.019 50 10 JIGE CCCCN(CCCC)CN1C(=O)C(=NNC(=O)COc2c(C)cccc2C)c2ccccc21 254440673 FRQKIGYHDRGKAF-UHFFFAOYSA-N 464.610 4.409 50 10 JIGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CCSC[C@@H]1CCBr 689299646 ZCZOXHUYNOWEAR-ZETCQYMHSA-N 469.673 4.055 50 10 JIGE CC[C@@H](Br)[C@@H](C)NC(=O)c1ccc(I)c(Br)c1 721595749 YBULTZKFXYPWNI-VXNVDRBHSA-N 474.962 4.346 50 10 JIGE CCN(C(=O)CCC(=O)C(C#N)=C1N(C)c2ccccc2N1C)[C@@H](C)Cc1ccc(OC)cc1 731349758 YTNLIYYCVBDXGM-IBGZPJMESA-N 460.578 4.145 50 10 JIGE COc1ccc(-c2nn(CCC#N)cc2/C=C(\C#N)C(=O)OCc2ccccc2C)cc1OC 765864297 HMLJAVCVPCUJHV-FYJGNVAPSA-N 456.502 4.440 50 10 JIGE CC(C)(C)OC(=O)N1C[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CCC1=O 1084294663 BIIYOFQFSMXPGM-HXUWFJFHSA-N 453.655 4.489 50 10 JIGE CS(=O)(=O)c1cccc(S(=O)(=O)/C(C#N)=C\Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 1088699640 OHINXYKMBNETCS-YBEGLDIGSA-N 498.426 4.378 50 10 JIGE C#CCN1CCCN(C(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)CC1 1586493780 GVQCPCIQPOUCOU-HKWRFOASSA-N 455.389 4.475 50 10 JIGE C=CCNC(=S)NNC(=O)CCc1c(-c2ccccc2)[nH]c2ccc(Br)cc12 1618601334 UXGQABDXRCYPCW-UHFFFAOYSA-N 457.397 4.211 50 10 JIGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)cc1O)C(C#N)=C(N)O2 1865681050 DAACDYDIFAWGHG-IBGZPJMESA-N 457.317 4.430 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Br)cc2)[C@@H]1c1ccc(O)cc1O 1865681689 UBFZTGNWRHJQMT-OAHLLOKOSA-N 493.239 4.283 50 10 JIGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3CC(C)C)ccc1OC(=O)c1ccccc1 1865704631 AKGDGQDNORWPRY-QHCPKHFHSA-N 458.518 4.294 50 10 JIGE O=S(=O)(c1sccc1Br)N(CCCBr)Cc1ccccc1 1914642775 GTQONSIVFCRHBO-UHFFFAOYSA-N 453.221 4.487 50 10 JIGE O=C(Nc1cc(Br)ccc1I)[C@H]1C[C@@H](Br)C1 1991420361 VBSRSWHPDVKJKA-WRXNHJIOSA-N 458.919 4.166 50 10 JIGE ClCc1ccc(I)c(I)c1Br 2059980249 CTMHOZKBEPUVKP-UHFFFAOYSA-N 457.274 4.397 50 10 JIGE Cc1cc(CCl)c(-n2c(C)nc(I)c2I)nc1C 2066228184 QGSIFRFRHSQSLF-UHFFFAOYSA-N 487.510 4.141 50 10 JIGE C[C@H](Br)C12CCC(CC1)N2C(=O)c1ccc(F)cc1I 2153387248 WHDJNNHQKGUYKM-IEBVAXJPSA-N 452.105 4.351 50 10 JIGE CC[C@@]1(NS(=O)(=O)c2ccccc2CCl)CCCN(C(=O)OCc2ccccc2)C1 2162590083 XRFLVTVWVJJTHF-JOCHJYFZSA-N 450.988 4.285 50 10 JIGE CN([C@H]1CCC(F)(F)C1)S(=O)(=O)c1cc(CBr)sc1Br 2179791932 YOJOKYVJFBMUHQ-ZETCQYMHSA-N 453.168 4.214 50 10 JIGE CN([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(Cl)cc(CBr)c1F 2179861004 AJNYTVXZEBJKEI-KRWDZBQOSA-N 475.811 4.269 50 10 JIGE CN([C@@H]1CC[C@@H]1OCc1ccccc1)S(=O)(=O)c1ccc(F)c(CBr)c1F 2179861214 DROCOAGYDWECOO-SJORKVTESA-N 460.340 4.228 50 10 JIGE O=C(Nc1ccc(Br)cc1I)C1CC(Br)C1 2212608622 VAQHUAFZOVJXCM-UHFFFAOYSA-N 458.919 4.166 50 10 JIGE CC(C)(C)OC(=O)NC[C@@]1(C(F)(F)F)CCCN1CCCCI 2243589981 XNSSHZOAQFTHSQ-CQSZACIVSA-N 450.283 4.123 50 10 JIGE O=C(NN=Cc1ccc(OC(=O)c2ccccc2Br)cc1)c1ccc2c(c1)OCCO2 2297672158 LKWBFATVFBPBAB-UHFFFAOYSA-N 481.302 4.203 50 10 JIGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(OC)c(O)c2)cc1 2297708262 REBHWIKERCPFOB-UHFFFAOYSA-N 486.572 4.168 50 10 JIGE COc1cccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(F)cc3)nc3ccccn3c2=O)c1 2314532536 KOJRXUBKTTXBFX-UHFFFAOYSA-N 456.433 4.180 50 10 JIGE CC(C)(C)OC(=O)NC[C@](C)(CI)O[C@H]1CCCCC12CCOCC2 2319694605 ZDEBGTCRQQGBCW-YJBOKZPZSA-N 467.388 4.461 50 10 JIGE COc1ccc(C=C(C(=O)N2CCC[C@@H](C(=O)NNc3ccccn3)C2)c2ccccc2)cc1 2328569392 WHEVBEPBHGYQPV-JOCHJYFZSA-N 456.546 4.013 50 10 JIGE COc1ccc(C=NNC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1Br 2328827669 WRRFCSJBHZZWBY-SFHVURJKSA-N 476.371 4.044 50 10 JIGE N#CC(=C(O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1nc(-c2ccc3c(c2)OCCO3)cs1 2331330713 CCWHUQKCZILFII-SFHVURJKSA-N 459.527 4.423 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CC[C@H]2[C@H](CCl)[C@H]2C1 2333350708 DTKZMKFAYZRUPQ-DLOVCJGASA-N 454.533 4.001 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CCN(Cc2ccccc2)C(C)(C)C1 2350355429 VVUAYLCHAJHYET-XMMPIXPASA-N 497.727 4.380 50 10 JIGE Cc1ccc(OCC(=O)NNC(=O)c2ccccc2OCCc2ccccc2)c(Br)c1 10509153 VEMKDBMGCDZAOU-UHFFFAOYSA-N 483.362 4.219 50 10 JIGE O=C(/C=C/c1ccc(F)cc1)NC(=S)NNC(=O)CCCOc1ccc(Cl)cc1Cl 13977234 BCHLLNFRVQLSGR-BJMVGYQFSA-N 470.353 4.027 50 10 JIGE CCOc1ccc(C(=O)NNC(=O)c2cc(-c3cc(C)oc3C)nc3c2cnn3C(C)C)cc1 14340264 QJFCKPMVDCKVGB-UHFFFAOYSA-N 461.522 4.363 50 10 JIGE CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 89969093 IPRLYEUVHZWWQX-FXBPSFAMSA-N 466.607 4.253 50 10 JIGE O=C(NC1CCCCC1)[C@@H](c1ccc(F)cc1)N(Cc1ccc2c(c1)OCO2)C(=O)CCl 97914579 KLLPQNLFQZGILI-HSZRJFAPSA-N 460.933 4.312 50 10 JIGE Cc1cc(S(=O)(=O)N[C@@H]2c3ccccc3C[C@H]2Br)sc1Br 137012024 QZJISQKPAQOCBB-DGCLKSJQSA-N 451.205 4.158 50 10 JIGE COc1cc(/C=C(/C#N)C(N)=O)ccc1OC(=O)COc1ccc(C(C)(C)c2ccccc2)cc1 206408994 HKNHDYFHDBRJPE-HKWRFOASSA-N 470.525 4.398 50 10 JIGE C[C@H](Br)C(C)(C)NC(=O)c1cc(I)ccc1Br 235455439 DDLJXHSJQXENMF-ZETCQYMHSA-N 474.962 4.346 50 10 JIGE COc1ccc(-c2nnc(SCC(=O)NN=C(C)c3ccc(O)cc3)n2-c2ccccc2)cc1 254630087 PKXOYMKITGCCFD-UHFFFAOYSA-N 473.558 4.281 50 10 JIGE COc1cc(C=NNC(=O)COc2ccc(Cl)cc2Cl)ccc1OC(=O)c1ccncc1 916254539 GSFCYKYOOSBSFC-UHFFFAOYSA-N 474.300 4.145 50 10 JIGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)cc1 1083989776 NGPUHZWRJKJMGM-DEOSSOPVSA-N 464.522 4.365 50 10 JIGE COc1cc([N+](=O)[O-])ccc1-n1nc(C)c(C=NNC(=O)c2cc3ccccc3cc2O)c1C 1084108105 ZSCMIFDRIROLBL-UHFFFAOYSA-N 459.462 4.029 50 10 JIGE NNC(=O)N1CCC(C(O)(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)CC1 1088728750 YWMRZHDILQPUQF-UHFFFAOYSA-N 461.406 4.255 50 10 JIGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2cccc(-c3ccc4c(c3)CCO4)c2)cc1 1216212682 IRHXRTZOURHWCI-QGZVFWFLSA-N 459.502 4.111 50 10 JIGE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@@H]2c1cc(Br)c(O)c(OC)c1 1865689591 TYEZXTUKLNDBET-LBPRGKRZSA-N 473.249 4.007 50 10 JIGE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@@H]2c1cc(Cl)c(O)c(OC)c1 1865706981 KKCKMCKXMAXZHI-SFHVURJKSA-N 452.898 4.164 50 10 JIGE O=C(c1cc(I)sn1)N(CCCBr)Cc1ccccc1 1881738702 PMGJITWXRDVDLD-UHFFFAOYSA-N 465.154 4.175 50 10 JIGE CN(C[C@@H](Br)COCc1ccccc1)S(=O)(=O)c1ccccc1C(F)(F)F 1916365054 SIDLBBCJYKPBEO-OAHLLOKOSA-N 466.319 4.306 50 10 JIGE Cc1c(Br)sc([C@H](Br)[C@@H](C)S(C)(=O)=O)c1Br 1922934169 CVXKILBAADBJJC-IYSWYEEDSA-N 455.031 4.451 50 10 JIGE CS(=O)(=O)C1([C@H](Br)c2cc(Br)sc2Br)CC1 1979975225 PSASLBWXTSTVKB-SSDOTTSWSA-N 453.015 4.286 50 10 JIGE CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2C)C(C)=C(C#N)C1=O 2040582332 NSUPNFNVRDBHJK-UHFFFAOYSA-N 452.514 4.469 50 10 JIGE CC(C)(C)OC(=O)N[C@H](C[S@](C)(=O)=NC[C@@H](Br)C(F)(F)F)C(C)(C)C 2044705950 PJYPCSKHCPUIAR-PQIHIXOVSA-N 453.365 4.349 50 10 JIGE CCOC(=O)Cc1c(OC(F)(F)F)ccc(CBr)c1I 2055267287 CCLCRUGXPAQKBF-UHFFFAOYSA-N 467.019 4.190 50 10 JIGE CC(C)(C)OC(=O)N1CCC(CI)(OCC23CCC(CC2)OC3)CC1 2083307182 BDFYZLFYNGAQPO-UHFFFAOYSA-N 465.372 4.167 50 10 JIGE O=C(c1cc(Br)cc(Br)c1)N1C[C@@H]2CC[C@H](Br)[C@H]2C1 2087936597 KCMRUMHPMRXIEX-HJIKLVIJSA-N 451.984 4.457 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)NCC[C@@H](Br)C2CC2)cc1Br 2146610141 OXQSFXLOBCSPRC-SNVBAGLBSA-N 490.055 4.362 50 10 JIGE CCCN1CC[C@H]([C@@H](Br)c2cccc(Br)c2Br)S1(=O)=O 2148760688 MVOORNUYWOEVRV-YPMHNXCESA-N 490.055 4.462 50 10 JIGE CC[C@]1(NS(=O)(=O)c2ccc(CBr)cc2)CCCN(C(=O)OCc2ccccc2)C1 2162588611 IAXAMXKDKRMGLG-QFIPXVFZSA-N 495.439 4.441 50 10 JIGE C[C@H](Br)CN1CCCN(C(=O)c2cc(Br)c(Br)s2)CC1 2176857886 KROCGZUMFPVOAM-VIFPVBQESA-N 489.071 4.204 50 10 JIGE O=S(=O)(c1ccc(CBr)s1)N1CC[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 2179812941 QUZYTTUJENJRIZ-MSOLQXFVSA-N 469.470 4.176 50 10 JIGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1CO[C@H]2COC[C@H]12 2225616993 LCJQVKIVAUDQNL-YNVKYCFSSA-N 458.947 4.448 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N[C@H]1C[C@H]2C[C@H]1C[C@H]2Br 2295309615 LKOHEMFULHBEBX-QOBDMFJFSA-N 466.011 4.432 50 10 JIGE CC(C=NNC(=O)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)=Cc1ccccc1 2295395540 GSVZFVFFBZBSTG-UHFFFAOYSA-N 490.423 4.055 50 10 JIGE CC(C)(C)OC(=O)NC[C@](C)(CI)O[C@@H]1CCOc2ccc(F)cc21 2316974634 KFXKVWXHFNQZEL-QAPCUYQASA-N 465.303 4.384 50 10 JIGE CC(C)(C)OC(=O)N1C[C@H](I)[C@H](O[C@@H]2CCCCC23CCOCC3)C1 2319694025 UVYVWRCTERBSNH-ARFHVFGLSA-N 465.372 4.165 50 10 JIGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)Nc1ccc(F)c(CBr)c1 2364194100 BLSGGYJFOACAED-UHFFFAOYSA-N 497.386 4.319 50 10 JIGE O=C(/C=C/c1ccccc1Cl)NNC(=O)COc1ccc(Br)cc1Br 13981276 OIEHGMYUYYWKCY-VMPITWQZSA-N 488.563 4.105 50 10 JIGE CCc1ccc(OCC(=O)NNC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)c(Br)c1 14665899 HPRWHDJNWUZVOU-OAHLLOKOSA-N 477.399 4.303 50 10 JIGE COc1cc(OC)cc(C(=O)Oc2cc3c4c(c2)[C@H](C)CC(C)(C)N4C(=O)C3=C(C#N)C#N)c1 22564126 LMSUZMSEBMGNIY-CQSZACIVSA-N 457.486 4.356 50 10 JIGE CCCCCN1C(=O)/C(=N\NC(=O)CCCCCNC(=O)c2ccccc2)c2cc(OC)ccc21 38180370 RSDPYTLWRUXZDZ-JVCXMKTPSA-N 478.593 4.043 50 10 JIGE COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@@H](C)Oc3ccc(F)cc3)ccc21 38650040 OYJNNCFRCQLMNK-MYYSRTQBSA-N 460.461 4.425 50 10 JIGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(OC)c(OC)c(OC)c4)ccc32)c1 38650174 PMJAQAXLSJFOSU-DEOSSOPVSA-N 488.496 4.158 50 10 JIGE Cc1c(C(=O)N(CC#N)CC#N)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 40815517 FGVZBWHICKGBKP-DFKUXCBWSA-N 479.540 4.066 50 10 JIGE COC(=O)c1ccc(Cl)c(-n2c(C)cc(/C=N/NC(=O)CC[C@H](O)c3ccccc3)c2C)c1 58890723 OBPOJWOOBBSGJA-HGQHNSGJSA-N 467.953 4.498 50 10 JIGE O=C(N/N=C\c1cc(Br)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 59500438 AMTWBLFVIDBAPP-QRVIBDJDSA-N 468.263 4.340 50 10 JIGE N#C/C(=C\c1cccn1-c1ccc(Br)cc1)C1=NN(c2ccccc2)[C@H](N)[C@H]1C#N 103792422 FOQXPDSDGJLLSQ-QUCIJZRUSA-N 457.335 4.448 50 10 JIGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CCC[C@H](CCBr)C1 125985465 CZPHMURJYTUTMX-MRVPVSSYSA-N 451.633 4.350 50 10 JIGE Cc1cccc(C(=O)N[C@H](CBr)CC(F)(F)F)c1I 717751927 ZVGLZVYOKLCKKI-QMMMGPOBSA-N 450.036 4.045 50 10 JIGE O=C(NNS(=O)(=O)c1ccc(F)cc1C(F)(F)F)c1ccccc1OCc1ccc(F)cc1 728502240 DKFPLLIBUPEDCH-UHFFFAOYSA-N 486.418 4.186 50 10 JIGE Cc1nnnn1-c1ccc(F)c(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(F)cc3)c2C)c1 730969192 FJTGOXQQLLDLJH-WQRHYEAKSA-N 459.460 4.202 50 10 JIGE C[C@@H](SCc1ccccc1)C(=O)NN=C1C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 1084281790 FPGMYPMNVBPLCP-QGZVFWFLSA-N 474.542 4.284 50 10 JIGE C=CC[C@@H]1CCCN(C(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(OC)c(OC)c2)C1 1146474803 IIRYXFCCSXCLSC-BWCLHNGZSA-N 459.550 4.203 50 10 JIGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CNC(=O)/C=C/c3ccccc3)cc2)cc1 1858672612 JKVSMLBZGFIMTL-OVCLIPMQSA-N 492.582 4.100 50 10 JIGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2Cl)cc(OC)c1OC 1865691772 AOYWFUCBSSGBGF-NRFANRHFSA-N 466.925 4.137 50 10 JIGE C[C@@H](CCBr)N(C)C(=O)c1cc(Br)ccc1I 1917083654 DTJOTXVTCJBMTM-QMMMGPOBSA-N 474.962 4.299 50 10 JIGE BrC[C@@H]1[C@H]2CC[C@H](C2)N1c1ncc(I)cc1Br 2015762816 PQGUVPMFOLSRFV-JVUFJMBOSA-N 471.962 4.201 50 10 JIGE C[C@@H](CCCCCI)NC(=O)c1cccc(I)c1 2054162428 RIIKWSYARBZMEJ-NSHDSACASA-N 471.120 4.405 50 10 JIGE CCOc1c(OC(F)(F)F)ccc(I)c1C(=O)CBr 2055052873 CDNWHBZGGJNXLT-UHFFFAOYSA-N 452.992 4.166 50 10 JIGE O=S(=O)(C[C@H](Cl)c1cc(Br)sc1Br)N1CCCCC1 2089398347 PWWINLPPUTVOIX-VIFPVBQESA-N 451.633 4.369 50 10 JIGE CCN1CCC[C@@H]([C@H](Br)c2cc(Br)c(Cl)s2)S1(=O)=O 2115926626 DJLYNYHKPIYHLU-VHSXEESVSA-N 451.633 4.414 50 10 JIGE CCN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1c(C)csc1CBr 2123232154 MUBVFSGNGJUVOK-QGZVFWFLSA-N 457.459 4.237 50 10 JIGE Cc1cc(S(=O)(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)sc1CBr 2123244285 UTRCBSPCYMIWOM-QGZVFWFLSA-N 457.459 4.237 50 10 JIGE CC[C@@]1(NS(=O)(=O)c2cccc(CCl)c2)CCCN(C(=O)OCc2ccccc2)C1 2162588367 FGGZUEJDXMJRAT-JOCHJYFZSA-N 450.988 4.285 50 10 JIGE O=C(c1cccc(I)c1)N1C[C@@]2(F)CCC[C@@]2(CBr)C1 2176629571 DSFZLXFSHLNNGM-CABCVRRESA-N 452.105 4.021 50 10 JIGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1C[C@H](CBr)[C@@H](F)C1 2177132689 XDPDTVPWTQXVTO-WKEGUHRASA-N 469.985 4.109 50 10 JIGE O=C(c1cc(I)ccc1F)N1CC2(CBr)CCC1CC2 2178881956 JOJFUNGHZZAONN-UHFFFAOYSA-N 452.105 4.210 50 10 JIGE CC[C@@H]1CN(S(=O)(=O)c2cc(CBr)ccc2F)CCN1Cc1ccccc1 2179784793 DQCFUYHBSDZUBZ-GOSISDBHSA-N 455.393 4.006 50 10 JIGE CN([C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)S(=O)(=O)c1cc(CBr)cs1 2179823638 LSUYXXMFYFVPPS-BWTSREIZSA-N 469.470 4.459 50 10 JIGE O=C(c1cc(I)ccc1F)N1[C@@H](CBr)CCC12CCC2 2205770551 ABKYUBNWYUBNHS-LLVKDONJSA-N 452.105 4.353 50 10 JIGE Cc1ccc(I)c(C(=O)N[C@H](CCBr)C(F)(F)F)c1 2232158011 UOYNMGWKAAQBMY-SNVBAGLBSA-N 450.036 4.045 50 10 JIGE C[C@@H]1CCCN(C(=O)c2c(F)cccc2I)[C@@H]1CCBr 2282808039 KLTJDNZFTWKPPC-ZWNOBZJWSA-N 454.121 4.456 50 10 JIGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)CCCCCN2C(=O)c3ccccc3C2=O)cc1 2293198389 DVSLOKGXEXQKII-UHFFFAOYSA-N 487.556 4.272 50 10 JIGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cccc(Br)c2)cc1 2295482939 DQLMGNRVORRUOW-UHFFFAOYSA-N 491.389 4.436 50 10 JIGE N#CC(=Cc1ccccc1OCc1ccccc1Cl)C(=O)Nc1ccc(S(N)(=O)=O)cc1 2297551832 LZKVOQJFMAQXTC-UHFFFAOYSA-N 467.934 4.112 50 10 JIGE CN(CCCl)c1ccc(C=C2C(=O)N(c3ccc(C(=O)O)cc3)N=C2C(F)(F)F)cc1 2297561213 RDRXRNSLZKODBH-UHFFFAOYSA-N 451.832 4.408 50 10 JIGE FC1(F)CN(Cc2ccc(I)c(Br)c2)C[C@H]1Br 2306223222 CDYSMFHNBIIVGU-SNVBAGLBSA-N 480.916 4.268 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC[C@H]2C[C@H]3[C@@H](C2)C3(F)F)C1 2320844842 JXQVRHOFHVVGDB-VWPFQQQWSA-N 471.326 4.499 50 10 JIGE N#CC(=CNc1cccc(C(=O)O)c1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324599110 WYHBDOUBCVRMBT-UHFFFAOYSA-N 466.541 4.138 50 10 JIGE ClC[C@H]1CC[C@H](CNCc2ccc(I)c(Br)c2)OC1 2349858142 OXBNVSRNLAQMPN-VXGBXAGGSA-N 458.565 4.177 50 10 JIGE Cn1cc(I)c(CC2(CBr)CC3(C2)C(F)(F)C32CC2)n1 2367502511 VHUAKIMHKFXPTH-UHFFFAOYSA-N 457.100 4.158 50 10 JIGE CC(C)(C)OC(=O)N[C@]12CCC(F)(F)C[C@H]1CN(C[C@]1(CBr)CC1(F)F)C2 2379984244 LLQWQALSLQTTEX-MAZHCROVSA-N 459.322 4.421 50 10 JIGE CCc1ccc(/C=N/NC(=O)c2cc(C(=O)N/N=C/c3ccc(CC)cc3)c(C)nc2C)cc1 33513725 RXIFVASGDPAMNL-LPHFKDDMSA-N 455.562 4.351 50 10 JIGE CC1=C(C(=O)N/N=C/c2ccc(N(C)C)cc2)[C@H](c2ccc(Cl)cc2Cl)NC(=S)N1 59384959 ZTTZHUIJSKIYJV-AZCDICLMSA-N 462.406 4.003 50 10 JIGE C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)c1cc(C2CC2)nc2onc(-c3ccccc3)c12 107614362 LNEYHLWHOIZQIV-CQSZACIVSA-N 460.465 4.135 50 10 JIGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)/C=C\c1cccc([N+](=O)[O-])c1 206395616 CYTVEONDWABCLW-OQYQHLBDSA-N 483.480 4.446 50 10 JIGE COc1ccc(N/C=C(/C#N)C(=O)Nc2ccc(I)cc2C)c(OC)c1 217254025 SDCMDCJSASUTCB-QBFSEMIESA-N 463.275 4.075 50 10 JIGE COc1ccc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)cc1Br 256028419 KYKZCMPWKNJVOY-UHFFFAOYSA-N 463.382 4.219 50 10 JIGE CCc1ccc(NC(=O)C(=O)NN=C(C)CC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 263632682 CGCUNRPUQOSQBI-UHFFFAOYSA-N 472.545 4.287 50 10 JIGE CC[C@@H](NS(=O)(=O)c1cc(Br)c(C)cc1Br)[C@H](C)Br 386707725 OQYICEJCLOWVII-GZMMTYOYSA-N 478.044 4.360 50 10 JIGE CN1C[C@H](c2cc(Br)ccc2Br)[C@@H](CI)C1 394605299 HGHLWGZWCWAKDV-KWQFWETISA-N 458.963 4.292 50 10 JIGE C[C@@H]1C[C@@H](CCl)CN(C(=O)c2cc(I)ccc2Br)C1 398683444 ZFAZLSPFHHSBJD-ZJUUUORDSA-N 456.549 4.391 50 10 JIGE CC(C)(C)C(=O)NNC(=O)CSc1n[nH]c(NN=Cc2ccc3ccc4cccc5ccc2c3c45)n1 1083990619 XQOUZKWTPFOMLQ-UHFFFAOYSA-N 499.600 4.434 50 10 JIGE Cc1cc(C=NNC(=O)CC(=O)NCc2ccccc2)c(C)n1-c1cccc(Br)c1 1084103381 LMKWGKAJAJCNRD-UHFFFAOYSA-N 467.367 4.013 50 10 JIGE COc1ccccc1C=NNC(=O)COc1c(C)cc(Br)cc1Br 1084399134 RQENSJUPURJVQN-UHFFFAOYSA-N 456.134 4.058 50 10 JIGE Cc1c(C(=O)N(C)Cc2ccccc2)oc2c1C(=NNC(=O)c1cncc(Br)c1)CCC2 1772746231 CZWRNQZZVSUYKF-UHFFFAOYSA-N 495.377 4.488 50 10 JIGE CCCc1nn(CC(C)C)c2c1[C@H](c1cc(Br)cc(OC)c1O)C(C#N)=C(N)O2 1865696047 JVFKNWILRMPBGD-QGZVFWFLSA-N 461.360 4.186 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCC12CC(NC(=O)OC(C)(C)C)C2 1986323688 BGKWGZBKFRGQLL-ZGOJQLDESA-N 461.694 4.318 50 10 JIGE CC1([C@H](CBr)NC(=O)c2ccc(I)c(Br)c2)CC1 2033131068 XVYJPMAEUIWFKU-NSHDSACASA-N 486.973 4.347 50 10 JIGE CC(C)(C)OC(=O)N1CCC(CI)(OCCN2CCCCCC2)CC1 2055655475 TUPOMRZYDGEZFV-UHFFFAOYSA-N 466.404 4.084 50 10 JIGE CN(C(=O)c1ccc(Br)cc1I)[C@H]1CCC[C@H]1Br 2086138710 FEGJYBXKRKYIOT-PWSUYJOCSA-N 486.973 4.442 50 10 JIGE CN([C@H](CCBr)C(F)F)S(=O)(=O)c1cc(Cl)c(Br)s1 2122008275 GTTGEROLSTUGOE-ZCFIWIBFSA-N 461.575 4.203 50 10 JIGE C[C@@H]1CN(S(=O)(=O)c2cc(CCl)ccc2Br)[C@H](C)CN1Cc1ccccc1 2152184897 QANLAXNFVHUROG-HZPDHXFCSA-N 471.848 4.471 50 10 JIGE CC(C)(C)OC(=O)Nc1cccc([S@@](C)(=O)=NC(=O)N2CCC(Br)CC2)c1 2162870481 FHMDJNVXGWAZIK-HHHXNRCGSA-N 460.394 4.470 50 10 JIGE O=C(N[C@@H]1COC2(CCN(C(=O)OCc3ccccc3)CC2)C1)[C@@H](Br)C1CCCC1 2167033439 RJNLOZROYYDDMX-PMACEKPBSA-N 479.415 4.017 50 10 JIGE C[C@H](NS(=O)(=O)c1ccc(CBr)cc1)c1csc(NC(=O)OC(C)(C)C)n1 2170789386 YFDUGVOHASSZEU-NSHDSACASA-N 476.418 4.425 50 10 JIGE CCN(CCCOCc1ccccc1)S(=O)(=O)c1ccc(OCCBr)cc1 2179859253 APVJOGIKLUCCGP-UHFFFAOYSA-N 456.402 4.078 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1CC[C@H](Br)[C@@H]2CC[C@H]21 2190250164 QHDWFNMDCSIJPJ-JBLDHEPKSA-N 488.039 4.148 50 10 JIGE CC(F)(F)C[C@H](CBr)NC(=O)c1ccc(Cl)c(I)c1 2268343244 WHUVSVFVLVHYAO-MRVPVSSYSA-N 466.491 4.483 50 10 JIGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)C1=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 2314617488 ZFFHZLOSLPXNTI-UHFFFAOYSA-N 483.436 4.376 50 10 JIGE CCOc1cccc(C=NNC(=O)c2ccc3nc(Cc4ccc(OC)c(OC)c4)[nH]c3c2)c1 2318417851 HZHMXKTVCZJEIR-UHFFFAOYSA-N 458.518 4.334 50 10 JIGE CCOc1cc(C=NNC(=O)c2ccc3nc(-c4ccccc4O)[nH]c3c2)cc(Cl)c1O 2323743492 BJNAECCAZYVBNJ-UHFFFAOYSA-N 450.882 4.457 50 10 JIGE CC(C)(CI)CN1C[C@@H](NC(=O)OC(C)(C)C)[C@H](c2ccccc2)C1 2326668567 VPGFJKRGCITPIY-DLBZAZTESA-N 458.384 4.440 50 10 JIGE N#CC(=C(O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2331281389 QZNPPFWROJCWDO-UHFFFAOYSA-N 491.441 4.105 50 10 JIGE CCC(CC)(CCSc1cc(I)ccc1Br)C(=O)NN 2363658430 NTPZUFQPGPSNGH-UHFFFAOYSA-N 471.202 4.332 50 10 JIGE Clc1cc(CN2CC3(CCOCC3)[C@@H]2CBr)ccc1I 2381050263 CBSCKMBKDBKXGP-AWEZNQCLSA-N 470.576 4.321 50 10 JIGE CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)CC)cc2)ccc1OC(=O)c1ccccc1 653467 NCAMWRRUJCGZPI-WPWMEQJKSA-N 459.502 4.417 50 10 JIGE COc1ccc(/C=N/NC(=O)c2ccncc2)cc1COc1ccc(C(=O)OCC(C)C)cc1 1496962 DAFSRLGUOSCILR-RWPZCVJISA-N 461.518 4.246 50 10 JIGE BrC1=C[C@]2(Br)[C@@H](Br)[C@@H]3[C@@H](Br)[C@H]4C[C@@H]3[C@@H]2[C@@H]14 3102128 KRSZSGUJZBJBNK-UEZLXZBNSA-N 461.817 4.451 50 10 JIGE Cc1cc(OCC(=O)NNC(=O)c2ccc(OCCc3ccccc3)cc2)ccc1Br 14041602 RHSDMZLUILWUEX-UHFFFAOYSA-N 483.362 4.219 50 10 JIGE Cc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C(/C#N)S(=O)(=O)c1ccccc1 33467358 BZRCTAWOVLUPFS-HKWRFOASSA-N 457.511 4.442 50 10 JIGE Cc1c(C(=O)NNc2ccccc2)oc2c1/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CCC2 40814893 YGCCEUJENCBNHG-KOEQRZSOSA-N 464.438 4.314 50 10 JIGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(C)n(-c3ccc(OC(C)=O)cc3)c2C)cc1 58893228 ZRNGEAIMXXIUOJ-GPMZVODXSA-N 477.561 4.382 50 10 JIGE CCN(CC)c1ccc([C@@H]2N(C(=O)CCl)CCCN2S(=O)(=O)c2ccc(C)cc2)cc1 59074312 ZFFLVUAGBXKFHG-HSZRJFAPSA-N 464.031 4.002 50 10 JIGE Cc1cc(Br)c([C@@H](Br)[C@H]2CCS(=O)(=O)C2)cc1Br 128743070 HLDXQPPHAYIPOH-UFBFGSQYSA-N 461.013 4.391 50 10 JIGE CC(C)(CBr)CNC(=O)c1cc(I)ccc1Br 232521008 WKQWSLHJSQOSFY-UHFFFAOYSA-N 474.962 4.205 50 10 JIGE O=C(Cc1ccc([N+](=O)[O-])cc1)NN=Cc1ccc(COc2ccc(Br)cc2)o1 252589171 AHWCCQCHXUAWEP-UHFFFAOYSA-N 458.268 4.222 50 10 JIGE CCOc1cc(C=NNC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OC(=O)c1ccccc1 254606475 GQCJGOXYZYGYJY-UHFFFAOYSA-N 478.501 4.094 50 10 JIGE CC1(C)CC[C@H](CBr)N(C(=O)c2ccc(F)cc2I)C1 701588054 BTUZUMKPMVCPAH-LLVKDONJSA-N 454.121 4.456 50 10 JIGE COC1(CBr)CCN(C(=O)c2scc(Br)c2Br)CC1 705440257 WSIGJZIXDGSGPI-UHFFFAOYSA-N 476.028 4.289 50 10 JIGE CN(C(=O)c1ccc(I)c(Br)c1)[C@H]1CCC[C@@H]1Br 709183705 NIDDTZNEHUPCHL-CABZTGNLSA-N 486.973 4.442 50 10 JIGE COc1ccc(C)cc1N(CC(=O)NN=C(C)c1ccc(C)cc1)S(=O)(=O)c1ccccc1 1083953798 YBVRPWAXEOIMKB-UHFFFAOYSA-N 465.575 4.048 50 10 JIGE COc1ccc(NC(=O)C(=O)NN=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)c(OC)c1 1084156169 RATFOESOPGBOIK-UHFFFAOYSA-N 462.289 4.359 50 10 JIGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)ccc1OCc1ccc(C(=O)O)cc1 1084605003 MDPVFEXRXBEHBD-HSZRJFAPSA-N 476.529 4.326 50 10 JIGE C=CCn1cc(CNC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)nn1 1585550466 ODHPOEXOTBEZJQ-LICLKQGHSA-N 455.349 4.402 50 10 JIGE CCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1cccc(Br)c1)C(C#N)=C(N)O2 1865683430 DFEVZVOIYZXCNH-IBGZPJMESA-N 451.324 4.424 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(F)c2)[C@H]1c1ccc([N+](=O)[O-])cc1 1865712940 MRCVJOSJDCSDCL-INIZCTEOSA-N 459.359 4.216 50 10 JIGE CCc1ccc(-c2ccc(C(=O)NNC(=O)Cc3ccc(Br)cc3)c(C)n2)cc1 1865758821 SRKAPRCBGQXMHC-UHFFFAOYSA-N 452.352 4.386 50 10 JIGE CCC[C@@H](NC(=O)c1cc(-c2cc(F)ccc2F)n(C)n1)C(=O)Nc1ccc(SC#N)cc1 1867096116 QDURGRWCJMOJJH-LJQANCHMSA-N 469.517 4.476 50 10 JIGE CC[C@@](C)(NC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C)C(=O)Nc1ccc(SC#N)cc1 1867205879 NKAZSQODZAFYOR-XMMPIXPASA-N 450.564 4.051 50 10 JIGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC(CN3CCOCC3)CC2)n1 1868388283 HSQNAAYKEUPQSP-UHFFFAOYSA-N 452.628 4.294 50 10 JIGE N#C/C(=C(/O)CN1C(=O)COc2ccc(Cl)cc21)c1nc(-c2ccc3c(c2)OCCO3)cs1 1872750388 CZOCHBCTXGFHHE-SDXDJHTJSA-N 481.917 4.453 50 10 JIGE CC(C)[C@@H](CI)NCc1ccc(Cl)c(I)c1 1900394737 CLFQEVHFIWMSHV-GFCCVEGCSA-N 463.528 4.494 50 10 JIGE CCCN1CC[C@H]([C@H](Cl)c2cc(Br)ccc2I)S1(=O)=O 2145770145 LKMAHXAGNDTEKO-CHWSQXEVSA-N 492.604 4.148 50 10 JIGE O=C(c1cccc(F)c1I)N1C[C@H]2[C@@H](Br)CCC[C@H]2C1 2150974545 WHXOYANJVMYOMV-WCQGTBRESA-N 452.105 4.066 50 10 JIGE C[C@@H](CN(C)S(=O)(=O)c1cc(CBr)sc1Br)C(C)(F)F 2179787442 OSLBUXWWRZMBRG-ZETCQYMHSA-N 455.184 4.317 50 10 JIGE C[C@H](NC(=O)c1ccc(Br)cc1I)c1nnc(CCl)s1 2207264502 GHHYILSLUAWTTH-LURJTMIESA-N 486.560 4.135 50 10 JIGE C[C@@]1(CNS(=O)(=O)c2cc(Cl)c(Br)s2)CCC[C@@H]1Br 2271277970 UATWPYKGRRRRKO-KWQFWETISA-N 451.633 4.396 50 10 JIGE CC1(C)CN(C(=O)Cc2cc(Br)cc(Br)c2)C[C@@H]1Br 2277934706 BHHNAMKSKTYSET-LBPRGKRZSA-N 454.000 4.386 50 10 JIGE C[C@@H](Br)[C@@H]1CCN(C(=O)Cc2cc(Br)cc(Br)c2)C1 2277936300 VEUPWBWWCPAQGD-MWLCHTKSSA-N 454.000 4.386 50 10 JIGE N#CC(=CNc1ccc(S(=O)(=O)NC(=N)N)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 2296042394 NGGGRBMJPDZOQI-UHFFFAOYSA-N 493.401 4.265 50 10 JIGE O=C(Cc1ccccc1Br)N[C@@H](CCBr)COCc1ccccc1 2303546563 GGRMKGRLNFYPKT-KRWDZBQOSA-N 455.190 4.478 50 10 JIGE N#CC(=CN1CCc2ccccc2C1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324605959 BLOJDYQCTRONKY-UHFFFAOYSA-N 462.597 4.386 50 10 JIGE COc1ccccc1C1(CNC(=O)C(C#N)=Cc2cccc(Br)c2)CCOCC1 2329694670 LRXSUZMTVPUHSB-UHFFFAOYSA-N 455.352 4.229 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1CC[C@H](Br)[C@H]2CC[C@H]21 2340066903 WAOWXDBAWRLDCS-SUZMYJTESA-N 454.533 4.333 50 10 JIGE COc1ccc(CNCC(F)(F)C(F)(F)CI)cc1Br 2361672101 LZHQTJBSDWCVLA-UHFFFAOYSA-N 470.042 4.253 50 10 JIGE C[C@H](Br)CC1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(I)sn1 2366999293 CKWMVVLVIJABFI-OFLUOSHYSA-N 469.186 4.304 50 10 JIGE COc1cc(/C=N/NC(=O)COc2ccc(C(C)C)cc2Br)ccc1OC(C)=O 12579961 PCXYOHVSRCGDGS-FOKLQQMPSA-N 463.328 4.036 50 10 JIGE Cc1cc2c(cc1Br)NC(=O)/C2=N\NC(=O)c1ccc(OCc2ccccc2)cc1 14027759 MLTSHZRTOAIRGQ-UHFFFAOYSA-N 464.319 4.423 50 10 JIGE COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N3CCN(c4ccccc4[N+](=O)[O-])CC3)c2C)cc1 31417683 RCAJWLISUYPUER-OQKWZONESA-N 485.544 4.267 50 10 JIGE COc1ccccc1NC(=O)/C(C#N)=C/c1c(Oc2ccccc2C)nc2ccccn2c1=O 39993159 DJWZBSXAGYJJOY-OBGWFSINSA-N 452.470 4.350 50 10 JIGE COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(C)cc1C 40879407 MTBIXOKURXWKHH-UDWIEESQSA-N 460.486 4.113 50 10 JIGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(-c3ccccc3)cc2)cc1 40988029 XWIIHUDRRXCTAQ-HAVVHWLPSA-N 456.498 4.008 50 10 JIGE C=CCOc1c(Br)cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc1OCC 58891553 AGLRTOXQEHUITL-OQLNFPPLSA-N 461.356 4.377 50 10 JIGE Cc1ccc(C(=O)NNC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2Cl)CCC3)cc1 101598870 WTSKFGXRPHLGGQ-ZXVVBBHZSA-N 478.936 4.095 50 10 JIGE CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)CCCOc2ccc(OC)cc2)c(OCC)c1 103767782 AQCKFKWCHOHJGG-CYVLTUHYSA-N 453.491 4.329 50 10 JIGE O=C(/C=C\c1ccccc1[N+](=O)[O-])NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1 209632240 DUGBZORYQARHCJ-ZROIWOOFSA-N 451.866 4.302 50 10 JIGE O=S(=O)(NC[C@H]1CC[C@@H](Br)C1)c1cc(Br)ccc1Br 227791607 DABHRRXYDUXEEL-DTWKUNHWSA-N 476.028 4.054 50 10 JIGE O=C(N[C@@H]1CCCC[C@H]1Br)c1cc(Br)ccc1I 232486879 ZGWKAPZPFZCMOI-ZYHUDNBSSA-N 486.973 4.490 50 10 JIGE Cc1ccccc1OCC(=O)NN=C1C(=O)N(CCOc2ccc3ccccc3c2)c2ccccc21 245285586 XUIKBNUVGFPKRC-UHFFFAOYSA-N 479.536 4.473 50 10 JIGE COc1cc(C(=O)Oc2ccccc2C=NNC(=O)COc2c(C)cccc2C)cc(OC)c1OC 254371707 XASIFHNRBYDNSQ-UHFFFAOYSA-N 492.528 4.078 50 10 JIGE CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NN=C[C@H](C)c2ccccc2)cc1 254508705 VOTMDKJCUAMCQR-SFHVURJKSA-N 451.548 4.405 50 10 JIGE COc1cc(OC)c(C=NNC(=O)CSc2nnc(SCc3ccccc3)s2)c(OC)c1 254743061 KIFUPMDBFDISIV-UHFFFAOYSA-N 490.632 4.099 50 10 JIGE Cc1onc(-c2ccccc2)c1C(=O)NN=Cc1ccccc1OC(=O)c1ccc2c(c1)OCO2 254818741 FZJQNUKXBZRWIH-UHFFFAOYSA-N 469.453 4.362 50 10 JIGE Cc1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)c(N)c1 382732576 VFVFZWKSVFVLAR-FUHWJXTLSA-N 450.320 4.364 50 10 JIGE C=C(CCC(=O)OC)C(=O)NNC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1 1463675694 SOGGKSLKMCMIFW-UHFFFAOYSA-N 458.514 4.203 50 10 JIGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@@H](c2ccc(O)c(O)c2)C(C#N)=C(N)O3)cc1 1865680633 QLYSEGYFUUGYEZ-QHCPKHFHSA-N 482.496 4.186 50 10 JIGE CCCc1nn(-c2ccccn2)c2c1[C@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865701634 ACZGYZNFXCHCMZ-GOSISDBHSA-N 454.303 4.340 50 10 JIGE COc1ccc(-c2ccc(C(=O)NNC(=O)CCCOc3ccc(C)cc3)c(C)n2)cc1OC 1865759049 FOQKGTLFRCTMFH-UHFFFAOYSA-N 463.534 4.003 50 10 JIGE CC(C)[C@H](CBr)CN(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C 1955957394 YKOOUNHDMLTQLL-MRXNPFEDSA-N 466.461 4.005 50 10 JIGE BrCc1ccc(N2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)c(Br)c1 2036445916 PJDURVIMOFMANA-VQTJNVASSA-N 466.217 4.434 50 10 JIGE O=C(CCCC[C@@H]1CCSS1)NCCN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S 2040500011 VAGKMSIUXIEINF-OAHLLOKOSA-N 496.701 4.447 50 10 JIGE ClCc1ccc(I)c(Br)c1I 2059980516 WPXMSGAYCREHJD-UHFFFAOYSA-N 457.274 4.397 50 10 JIGE O=C(CCl)c1cc(C(F)(F)F)c(I)cc1I 2060048326 RVNWGFUCOLMSHG-UHFFFAOYSA-N 474.385 4.336 50 10 JIGE O=C(CBr)c1cc(Cl)c(I)cc1I 2060094359 RUMPCOLHEPQRAB-UHFFFAOYSA-N 485.284 4.127 50 10 JIGE C[C@H]1CN(C(=O)c2ccc(Br)cc2I)CC[C@H]1Br 2086147538 OIIPCBDUBFJQAL-GZMMTYOYSA-N 486.973 4.299 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1C[C@@H]2C[C@@H](CBr)[C@@H]2C1 2117685118 XQPHAOLWNDPSNM-AUTRQRHGSA-N 454.533 4.048 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CCC12CC(CCl)C2 2142284719 HBIXWIJWZDRAPB-UHFFFAOYSA-N 454.533 4.287 50 10 JIGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@H](CCBr)C1CCCCC1 2145921575 YBAYEEYMJMGNGE-HXUWFJFHSA-N 499.471 4.106 50 10 JIGE O=C(NCC1(CBr)CC(F)(F)C1)c1ccc(Cl)c(I)c1 2283666749 RSHGADUUWJRHCB-UHFFFAOYSA-N 478.502 4.485 50 10 JIGE Cc1cc(C)cc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)NCCc2ccccc2)c1 2296542781 PNGPIGPMEQCJEV-UHFFFAOYSA-N 464.525 4.370 50 10 JIGE CCOCCCNC(=O)C(C#N)=Cc1c(Oc2ccc(Cl)cc2Cl)nc2ccccn2c1=O 2296720899 RBPNEGNLUKRBJH-UHFFFAOYSA-N 487.343 4.243 50 10 JIGE CCCOc1c(OC)cc(C=NNC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1OC 2328827608 BZWNRALHYAPWQR-FQEVSTJZSA-N 485.581 4.079 50 10 JIGE COC(=O)c1c(NC(=O)[C@H](CC(C)C)N2C(=O)c3ccccc3C2=O)sc(C(C)=CC#N)c1C 2331557565 KYABVIHGZVBAAL-SFHVURJKSA-N 479.558 4.419 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@](C)(C(=O)O)c1cscc1Br 2346116955 YZFJQTIQYGJFCI-INIZCTEOSA-N 485.491 4.306 50 10 JIGE O=S(=O)(c1ccsc1CBr)N1CCc2scc(Br)c2C1 2361647235 ZZXFGLWQGWWERK-UHFFFAOYSA-N 457.234 4.214 50 10 JIGE Cc1ccc(OCC(=O)NNC(=O)c2ccc(OCCc3ccccc3)cc2)c(Br)c1 14041599 IAISXPMWBRGTOU-UHFFFAOYSA-N 483.362 4.219 50 10 JIGE NC(=O)Cn1cc(/C=N/NC(=O)c2ccc(OCc3ccccc3Cl)cc2)c(-c2ccccc2)n1 20530183 DHXNLCRDFZNGCI-IPPBACCNSA-N 487.947 4.032 50 10 JIGE CCCOc1ccc(/C=C(/C#N)C(=O)OCCCN2C(=O)c3ccc(Br)cc3C2=O)cc1 33745774 DAQSZGKDHLABQK-LGMDPLHJSA-N 497.345 4.374 50 10 JIGE COC(=O)c1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2F)CCC3)cc1 40812472 CNHPHZCHZLUEIS-TURZUDJPSA-N 463.465 4.236 50 10 JIGE COc1ccccc1/C=C(\C#N)C(=O)Oc1ccc2cc(C(=O)NC3CCCCC3)c(=O)oc2c1 40894436 UAJBUDLFWBLRMM-CPNJWEJPSA-N 472.497 4.377 50 10 JIGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(OC)c(OC)c2)c(OC)c1 40970013 AYHDBHSNPVNFND-ZNQUXATOSA-N 464.518 4.154 50 10 JIGE Cc1cc(C(=O)NNC(=O)CSc2nncn2-c2ccc(C(C)C)cc2)c(C)n1-c1ccccc1 105689512 TYXIXNKMGQNLTO-UHFFFAOYSA-N 488.617 4.352 50 10 JIGE C=CCn1c(CNc2ccc(C)cc2)nnc1S[C@H](C)C(=O)NN=Cc1ccc(OCC)cc1 252612779 IWHUKWVTZXWIIG-LJQANCHMSA-N 478.622 4.414 50 10 JIGE CC[C@H](c1nc(CCl)cs1)n1cnc(I)c1I 304469509 ZDHLTFJRJXXHPI-SSDOTTSWSA-N 493.539 4.287 50 10 JIGE C[C@H](COc1c(Br)cc(Br)cc1CBr)CS(C)(=O)=O 706187483 FLOQDSCFEBCTEA-MRVPVSSYSA-N 479.028 4.166 50 10 JIGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(I)c1OCC 725417039 ACSCHYSTAHHAKJ-SFHVURJKSA-N 496.345 4.053 50 10 JIGE CCOc1ccc(Br)cc1C=NNC(=O)c1ccccc1I 1084088351 RSYHQMLJAGPRKN-UHFFFAOYSA-N 473.108 4.216 50 10 JIGE C/C(=C\c1ccc(Cl)cc1)C(=O)NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 1440584694 UBEYDWUVHXKKCG-WUKNDPDISA-N 457.921 4.452 50 10 JIGE Cn1cccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1ccc(Br)cc1 1865699433 UFWAFQLWACRQPO-CQSZACIVSA-N 464.245 4.210 50 10 JIGE COc1ccc(C(=O)NNC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)nc2C)cc1OC 1865759120 JHXKEKULWDXLKO-UHFFFAOYSA-N 460.317 4.456 50 10 JIGE Brc1cc(CNC[C@H]2C[C@@H](Br)C2)ccc1I 1904343219 GEDAKQURDFSAFN-AOOOYVTPSA-N 458.963 4.317 50 10 JIGE O=C(NC[C@@H]1CCC2(CCC2)[C@@H]1Br)c1csc(I)c1 1924789453 IOHJJYYDNUNCCD-JOYOIKCWSA-N 454.171 4.426 50 10 JIGE O=C(c1scc(Br)c1Br)N1C[C@@H]2C[C@@H](CBr)[C@@H]2C1 2053995920 XOMVYGPMARGLGT-FXQIFTODSA-N 458.013 4.376 50 10 JIGE CC(C)(C)OC(=O)NCCC(CCNC(=O)OC(C)(C)C)NC(=O)[C@@H](Cl)c1ccccc1 2084885991 MTSWPDQMVKMDDV-SFHVURJKSA-N 470.010 4.281 50 10 JIGE CCCN1CC[C@H]([C@H](Cl)c2cc(Br)sc2Br)S1(=O)=O 2089512598 YYQIDOCHCGBZQM-PSASIEDQSA-N 451.633 4.367 50 10 JIGE O=C(N[C@@H]1C[C@H]2C[C@H]1C[C@H]2Br)c1ccc(I)c(Br)c1 2104399626 CTPNYZPIEIDLSQ-BSTOTGJRSA-N 498.984 4.346 50 10 JIGE CC1(CBr)CC(NS(=O)(=O)c2cc(Br)ccc2Br)C1 2119234483 QMANTOZRWXNCBE-UHFFFAOYSA-N 476.028 4.054 50 10 JIGE CN(Cc1ccccc1)[C@H]1CCN(S(=O)(=O)c2ccc(Cl)c(CBr)c2)C1 2123200062 BUBCOUNIHWLSHV-KRWDZBQOSA-N 457.821 4.130 50 10 JIGE CN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(Cl)c(CBr)c1 2123211832 ZAYWZWJCGBOOAA-QGZVFWFLSA-N 457.821 4.130 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CC[C@H](Br)[C@H]2CC[C@@H]21 2133723562 QJRBIXIBKDKVEN-ICCXJUOJSA-N 498.984 4.442 50 10 JIGE O=C(c1cccc(F)c1I)N1[C@H]2CCC[C@@H](Br)[C@H]1CC2 2154104163 NWBIZXRGNXVTEQ-UFGOTCBOSA-N 452.105 4.351 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@H]2CC[C@@]2(CBr)C1 2198876358 ASZHGADYEHTRHP-NOZJJQNGSA-N 488.039 4.007 50 10 JIGE O=C(NN=Cc1ccc(OC(=O)c2ccco2)cc1)C(=Cc1cccs1)NC(=O)c1ccccc1 2296473001 KCIBAPUHPLQJGE-UHFFFAOYSA-N 485.521 4.482 50 10 JIGE COc1ccc(CCNC(=O)C(C#N)=Cc2nc(N(C)C)n(-c3ccc(C)cc3)c2Cl)cc1OC 2297435385 HHCUQIQXGSFCFL-UHFFFAOYSA-N 493.995 4.183 50 10 JIGE CCN(C[C@@](C)(CI)OC[C@]12C[C@H](CO1)C2(C)C)C(=O)OC(C)(C)C 2313355869 HMHNARZEAOUNJP-ZMYBRWDISA-N 467.388 4.269 50 10 JIGE O=C(Cn1c(O)nc2ccccc2c1=O)NN=Cc1cccc(OCc2ccc(Cl)c(Cl)c2)c1 2328808942 DYNRYWAFNCSLCP-UHFFFAOYSA-N 497.338 4.138 50 10 JIGE COCCOc1ccc(C=C(C#N)C(=O)N[C@@H](c2ccc(OC)cc2)c2nc(C)cs2)cc1 2331117814 NTXKKHJHMXNAFY-QHCPKHFHSA-N 463.559 4.298 50 10 JIGE C[C@@H]1CCC[C@](CBr)(NC(=O)c2c(Br)c(Br)nn2C)C1 2364017834 MVTOUCRREAMWFT-OQPBUACISA-N 472.019 4.019 50 10 JIGE CCOC(=O)c1sc(NC(=O)/C(C#N)=C/c2ccc(OCC)cc2)c(C(=O)OCC)c1C 1965189 BEKUDLUDJQSFJN-FOWTUZBSSA-N 456.520 4.354 50 10 JIGE O=C(NC1CCCC1)[C@@H](c1ccc(Cl)cc1)N(C[C@H]1COc2ccccc2O1)C(=O)CCl 3039479 SJMWGLRLLBNFNN-WMZHIEFXSA-N 477.388 4.347 50 10 JIGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)OCc2ccc(Cl)cc2Cl)cc1 11532032 AKYJBIMZPHILAP-LICLKQGHSA-N 499.354 4.391 50 10 JIGE Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 12576982 AGEAZXVIFZNERH-GFCCVEGCSA-N 472.756 4.289 50 10 JIGE Cc1ccc(C(=O)NNC(=O)c2ccccc2OCc2ccccc2)cc1I 14030801 IPUWMPVASGWCMT-UHFFFAOYSA-N 486.309 4.253 50 10 JIGE COc1cc(/C=N/NC(=O)CCCSc2nc3ccc([N+](=O)[O-])cc3s2)cc(OC)c1OC 20827093 WASWXWRKFKQSTB-WSDLNYQXSA-N 490.563 4.253 50 10 JIGE O=C(NNC(=O)c1cc(NC(=O)c2ccccc2)cc(NC(=O)c2ccccc2)c1)c1ccccc1 58867653 ZZECZOPQDGNTFM-UHFFFAOYSA-N 478.508 4.266 50 10 JIGE O=C(N/N=C1\C(=O)N(CCc2ccccc2)c2ccc(Br)cc21)c1cccc([N+](=O)[O-])c1 59153254 RHVHXNRLEVPVCZ-DAFNUICNSA-N 493.317 4.081 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2CC[C@H](Br)[C@H](C)C2)cc1Br 167883895 SYPLIKUYWPMUHP-ZJUUUORDSA-N 490.055 4.314 50 10 JIGE O=C1c2cccc(OCCBr)c2C(=O)c2c(OCCBr)cccc21 196314548 VTZDTOPXDKOPKC-UHFFFAOYSA-N 454.114 4.009 50 10 JIGE CCOC(=O)/C(C#N)=C\c1cccc(OC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)c1 206744625 WCGRRQPKPBTZRN-UYRXBGFRSA-N 466.449 4.176 50 10 JIGE CC[C@@H](NC(=O)c1cc(I)ccc1Br)[C@H](C)Br 386644385 ANKICQUBCNYIDP-WRWORJQWSA-N 474.962 4.346 50 10 JIGE C[C@H]1[C@H](Br)C[C@H]2CC[C@H]1N2C(=O)c1ccc(F)cc1I 686181091 YKOFFKOKAHMGBM-NVBBAKCQSA-N 452.105 4.207 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N[C@@H](CCl)CC(F)F)cc1Br 717725295 XOJCXJUTSUJZNH-SSDOTTSWSA-N 455.546 4.061 50 10 JIGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)CC[C@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 730457128 LEIOKRRDURJGLJ-QGZVFWFLSA-N 478.288 4.441 50 10 JIGE O=C(NN=C1C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21)c1cccs1 1083894883 DHRKMKNLUPCSRB-UHFFFAOYSA-N 458.312 4.331 50 10 JIGE CS(=O)(=O)N(CC(=O)NN=Cc1c(F)cccc1Cl)c1ccc(Oc2ccccc2)cc1 1084564645 FTRLJUKARCKOJK-UHFFFAOYSA-N 475.929 4.188 50 10 JIGE COc1ccc(NC(=O)[C@H](C)Oc2cccnc2NC(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1 1858685347 LUFVPGZTKCAGKL-ZDUSSCGKSA-N 470.413 4.154 50 10 JIGE Cc1nc(Nc2ccc(SC#N)cc2)cc(N2CC(=O)N3CCc4c(F)cccc4[C@H]3C2)n1 1868479917 DEVLKLHSKSQFLX-OAQYLSRUSA-N 460.538 4.187 50 10 JIGE CCC(CBr)(CBr)NC(=O)c1ccc(Br)c(OC)c1 1876918258 DNFCOCHEEQWZBZ-UHFFFAOYSA-N 457.988 4.126 50 10 JIGE CC1(C)CN(C(=O)c2ccc(I)c(Br)c2)C[C@@H]1CCl 1914530037 XZYTWGDBAXFJBY-JTQLQIEISA-N 456.549 4.391 50 10 JIGE CN(C[C@H](Br)COCc1ccccc1)C(=O)c1c(F)c(F)c(F)c(F)c1F 1916355754 YIOMEEHQTIPIMT-NSHDSACASA-N 452.217 4.434 50 10 JIGE CC[C@H](NC(=O)c1ccc(Br)cc1I)[C@H](C)Br 2026222067 SWMYFVDLPBTXIG-CPCISQLKSA-N 474.962 4.346 50 10 JIGE O=C(CBr)c1ccc(OC(F)F)c(OC(F)(F)F)c1I 2060372891 QLTQDABMAQJSFO-UHFFFAOYSA-N 474.945 4.369 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1C[C@@H]2[C@@H](CBr)C[C@H]2C1 2117685121 XQPHAOLWNDPSNM-VDDIYKPWSA-N 454.533 4.048 50 10 JIGE BrCc1cc(Br)c(OCc2nnc3n2CCC3)c(Br)c1 2146923973 QHQPVBONBPZCGP-UHFFFAOYSA-N 465.971 4.223 50 10 JIGE O=S(=O)(c1cc(CBr)sc1Br)N1CCc2ccsc2C1 2179792361 FFIFOWIJCKIMHB-UHFFFAOYSA-N 457.234 4.214 50 10 JIGE Cc1oc(CBr)cc1S(=O)(=O)N(C)[C@H]1CN(Cc2ccccc2)C(C)(C)C1 2179809327 SFWACPZCCHDJNV-QGZVFWFLSA-N 455.418 4.157 50 10 JIGE CC[C@@H](C)[C@H](CI)NC(=O)c1cc(C)ccc1I 2224023795 YGKFIUSOZDNXRD-MFKMUULPSA-N 471.120 4.179 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1[C@H]2CC[C@@H](C2)[C@H]1CBr 2268338996 BNQDFRBSYAFILJ-GMOODISLSA-N 454.533 4.333 50 10 JIGE CCOc1cc(C=NNC(=O)c2sc(=N)[nH]c2CC)ccc1OCc1cc(C)ccc1C 2323177595 PPHPDDCZOZAJGD-UHFFFAOYSA-N 452.580 4.477 50 10 JIGE Cc1cc(I)ccc1NC(=O)C(C#N)=CNCc1cccc(Cl)c1 2325411802 CEKWDXVEBPESCV-UHFFFAOYSA-N 451.695 4.389 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1C[C@@]2(CBr)CC[C@H]1C2 2340067919 HRDLXNNNIBGGDG-HZMBPMFUSA-N 454.533 4.334 50 10 JIGE Cc1ccc2nc(N(/N=C/c3ccco3)C(=O)CCS(=O)(=O)c3ccccc3)sc2c1 9149336 WPJONWLXZMMQQZ-HZHRSRAPSA-N 453.545 4.429 50 10 JIGE CCCOc1ccc(Br)cc1C(=O)NNC(=O)CCC(=O)Nc1ccc(C)c(C)c1 14652724 YQPKPHATIUDYLM-UHFFFAOYSA-N 476.371 4.035 50 10 JIGE Cc1cc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2Br)CCC3)no1 40812942 BQFFQESJCLMWFL-BUVRLJJBSA-N 471.311 4.370 50 10 JIGE Cc1c(C(=O)NNC(=O)c2ccco2)oc2c1/C(=N/Nc1cccc(C(F)(F)F)c1)CCC2 40824071 JWBODCRBEZZBSX-JFLMPSFJSA-N 460.412 4.427 50 10 JIGE CC1CCC(NC(=O)[C@@H](c2ccc(F)cc2)N(C[C@H]2COc3ccccc3O2)C(=O)CCl)CC1 97914707 OCZGVPDDCRDGLW-WVDLFZMOSA-N 488.987 4.469 50 10 JIGE O=C(COc1ccc2ccccc2c1Br)NNC(=O)c1ccc(Br)cc1 100445913 ILYHRRCAPSKMBD-UHFFFAOYSA-N 478.140 4.205 50 10 JIGE COc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2OC)cc1 206431874 BKWUKQDJMLFBAD-KYASWKSUSA-N 458.470 4.139 50 10 JIGE COc1ccc(/C=C(\C#N)C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2)cc1 206697000 QZJUENJQRPQTPX-IWXNDQKYSA-N 453.454 4.024 50 10 JIGE FC(F)c1nc(I)c(I)cc1CBr 238604231 VNEKFNBRQBOXED-UHFFFAOYSA-N 473.824 4.123 50 10 JIGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccc(C)s3)nc3ccccc3c2=O)cc1 254449476 RLEHBHHUKUROQZ-UHFFFAOYSA-N 464.572 4.007 50 10 JIGE Cc1ccccc1C(=O)Oc1ccc(C=NNC(=O)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1 254514556 QCDLHWQGZXHIKB-UHFFFAOYSA-N 486.553 4.115 50 10 JIGE COc1ccc(C=NNC(=O)CCn2nc(C(F)(F)F)cc2C)cc1COCC(F)(F)C(F)F 254532555 HHLUIRXTTZRYPJ-UHFFFAOYSA-N 498.399 4.176 50 10 JIGE Cc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)C(=O)Nc2ccccc2)cc1 254615309 GIGNYJVQZIOABM-UHFFFAOYSA-N 451.482 4.456 50 10 JIGE O=C(N[C@H]1CCC[C@H]1Br)c1ccc(I)c(Br)c1 721574221 WSOLLYOLCVTRCV-KCJUWKMLSA-N 472.946 4.100 50 10 JIGE COc1ccc(C(C)=NNC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc1 1084026472 JGVVREAKFYYZHS-UHFFFAOYSA-N 471.966 4.084 50 10 JIGE O=C(CSc1nnc(CCc2ccccc2)n1-c1ccccc1)NN=Cc1ccc([N+](=O)[O-])cc1 1084072157 XNJOXTQHHXUFEI-UHFFFAOYSA-N 486.557 4.203 50 10 JIGE COc1ccc(CSCC(=O)NN=Cc2ccc(OCC(=O)Nc3ccccc3OC)cc2)cc1 1084267167 DEXPOZCRSHNRIE-UHFFFAOYSA-N 493.585 4.105 50 10 JIGE O=C(Cn1c2ccccc2c(=O)c2ccccc21)NN=Cc1ccc(-c2cccc(C(=O)O)c2)o1 1084437073 XIQTZZHGQXUWPW-UHFFFAOYSA-N 465.465 4.263 50 10 JIGE C=CCC[C@@H](CBr)NS(=O)(=O)c1cc(Br)ccc1Br 1885063370 DCDWQYKQKORFEF-JTQLQIEISA-N 476.028 4.220 50 10 JIGE CN(C[C@H]1C[C@H]1Br)C(=O)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 1887823894 TWBAACJGJDHULN-FVQBIDKESA-N 490.236 4.127 50 10 JIGE O=S(=O)(c1cncc(Br)c1)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915169652 JOMIQKLXFMMOPO-KRWDZBQOSA-N 474.218 4.209 50 10 JIGE CN(Cc1ccccc1)[C@@H]1CCCCN(S(=O)(=O)c2csc(CBr)c2)C1 2123228207 BDYSOBBIBYJOPS-QGZVFWFLSA-N 457.459 4.318 50 10 JIGE CC1(NC(=O)OC(C)(C)C)CCC(NS(=O)(=O)c2ccc(CBr)cc2)CC1 2162600362 IKPPOPMMRWLUAQ-UHFFFAOYSA-N 461.422 4.086 50 10 JIGE C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)N(S(=O)(=O)c2ccc(CCBr)s2)C1 2179814995 JAHWOJWVVHBYNM-IAGOWNOFSA-N 471.486 4.217 50 10 JIGE C=C[C@]1(CBr)COCCN1C(=O)c1c(Br)cccc1Br 2199855099 ICVIDGRQFMUIQW-AWEZNQCLSA-N 467.983 4.004 50 10 JIGE O=C(c1ccc(F)cc1I)N1[C@H](CBr)CCC12CCC2 2205774212 YHOWRYHAUAQAGY-NSHDSACASA-N 452.105 4.353 50 10 JIGE COc1cc(CO[C@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)cc(OC)c1 2283527163 AXOCMTYDGQPROD-FQEVSTJZSA-N 491.366 4.425 50 10 JIGE CC(=O)OCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccccc2)C(C)=C(C#N)C1=O 2296855004 ZCLJGLPRNYHNKZ-UHFFFAOYSA-N 480.524 4.085 50 10 JIGE C[C@H]1CN(Cc2cc(I)ccc2Cl)C[C@@H](CCBr)O1 2352427760 LRDMUPPEYJMTFG-GXFFZTMASA-N 458.565 4.319 50 10 JIGE CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)CC(C)C)cc2)cc1 14037291 BVCCYCMETGXVBA-UHFFFAOYSA-N 484.622 4.045 50 10 JIGE CCOc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)COc2ccccc2)CCC3)cc1 40816160 WWNGITIXSXVSAY-SGWCAAJKSA-N 461.518 4.475 50 10 JIGE Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Br)c(N2CCOCC2)o1 59303457 OTTVBVJQCXZUIS-MDWZMJQESA-N 450.720 4.386 50 10 JIGE COc1cccc(C=NNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)cc2)c1O 254742945 CSAIFCPORHEWQP-UHFFFAOYSA-N 473.558 4.199 50 10 JIGE COc1cc(C(C)=NNC(=O)CSc2nnc(SCc3ccccc3)s2)ccc1O 254837400 WEGCCKVDXQNBKF-UHFFFAOYSA-N 460.606 4.177 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1CCSC[C@H]1CCBr 689278023 JPFKGSCBGOHPGN-SNVBAGLBSA-N 474.589 4.287 50 10 JIGE O=C(NC1(CCBr)CCSCC1)c1csc(I)c1 719712872 XYNCFSJWMAKJFI-UHFFFAOYSA-N 460.200 4.133 50 10 JIGE O=C(NN=Cc1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccccc1Br 725419769 NYQLLSSCXNLTNA-UHFFFAOYSA-N 452.308 4.117 50 10 JIGE COc1ccc(OCCNC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)cc1 818072553 AHCVMCMNYZJPBY-XDJHFCHBSA-N 475.936 4.228 50 10 JIGE COC(=O)c1ccccc1-n1c(C)cc(C=NNC(=O)c2ccccc2Br)c1C 1084281874 NBIAEVHLRYCTFU-UHFFFAOYSA-N 454.324 4.407 50 10 JIGE CN(C)c1ccc(C(=O)NN=C2C(=O)N(CCc3ccccc3)c3ccc(Br)cc32)cc1 1084625343 OJUCSQGTNJYVBJ-UHFFFAOYSA-N 491.389 4.239 50 10 JIGE C=CCn1cc2ccc(NC(=O)NNC(=O)c3ccc(OCCC(C)C)c(OC)c3)cc2n1 1664849219 GIZJROYTMVFPDC-UHFFFAOYSA-N 451.527 4.122 50 10 JIGE Cc1c(C(=O)NCc2ccccc2Cl)oc2c1C(=NNC(=O)COc1ccccc1)CCC2 1772748948 FNGNIWQXHKBJSU-UHFFFAOYSA-N 465.937 4.407 50 10 JIGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cccc(Cl)c2)ccc1O 1865681859 YQSGNNZAWGMQNI-OAQYLSRUSA-N 450.926 4.470 50 10 JIGE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1cc(OC)c(O)c(OC)c1)C(C#N)=C(N)O2 1865715224 ZOXHUHGNZIDRKS-FQEVSTJZSA-N 466.925 4.088 50 10 JIGE CN(C[C@H](Br)COCc1ccccc1)C(=O)Cc1cccc(Br)c1 1916384791 DNMIRGSOKIYVLQ-SFHVURJKSA-N 455.190 4.430 50 10 JIGE O=C(N[C@H](CCBr)C(F)F)c1ccc(I)c(Cl)c1 1918558466 GUEUXCFERSAYID-SECBINFHSA-N 452.464 4.093 50 10 JIGE O=C(NC[C@H]1CCC2(CCC2)[C@@H]1Br)c1sccc1I 1924793459 OSKJUVODAXTPLI-BXKDBHETSA-N 454.171 4.426 50 10 JIGE C[C@@H](C[C@@H](C)Br)NC(=O)c1ccc(Br)cc1I 2026219009 UEJKMVRKFRFCAU-SFYZADRCSA-N 474.962 4.346 50 10 JIGE CC[C@H](C)[C@@H](CI)NC(=O)c1cc(I)ccc1F 2081244955 BFMJXIFYKWSOJH-QPUJVOFHSA-N 475.083 4.010 50 10 JIGE CC1(C)CN(S(=O)(=O)c2cc(Br)ccc2Br)[C@H]1CBr 2092534946 HBTPBPXVMCOYMS-NSHDSACASA-N 476.028 4.006 50 10 JIGE O=C(c1c(Br)cccc1Br)N1C[C@@H]2CC[C@@H](Br)[C@H]2C1 2094095673 OQARVWIASPOVDG-LPEHRKFASA-N 451.984 4.457 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CC2(CC2)C[C@H]1CBr 2099155806 XHKNYVZHPCXHLC-JTQLQIEISA-N 498.984 4.443 50 10 JIGE COCCN1C[C@H](Cc2cc(Br)ccc2Br)[C@@H](Br)C1 2118533527 ZYUIAEWYIPEXMW-FZMZJTMJSA-N 456.016 4.096 50 10 JIGE O=C(c1cc(I)ccc1F)N1CCC2(CC1)C[C@H]2CBr 2169664147 KZQHGHDUOLWCDK-JTQLQIEISA-N 452.105 4.068 50 10 JIGE CN(C1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)S(=O)(=O)[C@@H]1CC[C@H](CBr)C1 2179828756 TZUYKYGYAUWBRA-FYKRDEHLSA-N 455.462 4.007 50 10 JIGE C=CC[C@@]1(CBr)CCN(C(=O)c2cc(I)ccc2F)C1 2287752817 PUEMTQSKCCQOFN-HNNXBMFYSA-N 452.105 4.234 50 10 JIGE CCO[C@@H]1[C@@H](Br)C[C@@H]1Oc1cc(Br)cc(I)c1 2301074371 RFXZPYKCLLHPGW-SDDRHHMPSA-N 475.946 4.373 50 10 JIGE C=CCOc1c(I)cc(C=C(C#N)C(=O)NC2CCCCC2)cc1OC 2313511006 ILUWUPCLXQNDSP-UHFFFAOYSA-N 466.319 4.220 50 10 JIGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1cccc([N+](=O)[O-])c1 2313567905 PJEPXINWEZLCHT-UHFFFAOYSA-N 498.539 4.438 50 10 JIGE O=C(N[C@@H]1C[C@@H](CBr)[C@H]2C[C@H]21)c1ccc(Br)cc1Br 2329878593 SPWPYYOPAQTHRE-CTLRHGHPSA-N 451.984 4.361 50 10 JIGE COc1ccc(C)cc1-c1csc(C(C#N)=C(O)CNS(=O)(=O)c2ccc(C)cc2)n1 2331324505 JGNIKNFLEWVMOM-UHFFFAOYSA-N 455.561 4.207 50 10 JIGE CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2Cl)cc1Br 14645986 HJLAPVQNFHMGRY-UHFFFAOYSA-N 498.830 4.477 50 10 JIGE Cc1c(C(=O)Nc2cccnc2)oc2c1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 40823261 ZSEJVXFXXYJPMS-VPUKRXIYSA-N 480.340 4.225 50 10 JIGE CC1(C)CC(=O)C/C(=N/NC(=O)c2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)C1 103452332 OOSUZLUOTWXBMU-QJOMJCCJSA-N 492.395 4.115 50 10 JIGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N(CCBr)C1CC1 124451794 HXLXDCMAKUCFCM-UHFFFAOYSA-N 451.995 4.304 50 10 JIGE O=C(N[C@@H](CBr)C1CCC1)c1cc(Br)ccc1I 717614495 WSOJPWNEHVJJAC-LBPRGKRZSA-N 486.973 4.347 50 10 JIGE Cc1cc(/C=C(/C#N)C(=O)OCC(=O)c2ccc3c(c2)CCN3C=O)c(C)n1-c1ccc(F)cc1 918957010 GXPIHWGAYXSYEZ-XKZIYDEJSA-N 471.488 4.085 50 10 JIGE Cc1ccc(S(=O)(=O)Oc2ccccc2C=NNC(=O)c2cc3ccccc3cc2O)cc1 1084181058 CEHKCCCJXHOSJF-UHFFFAOYSA-N 460.511 4.385 50 10 JIGE CCCN(CCC)c1ccc(C(=O)NN=C2C(=O)N(C)c3ccc(Br)cc32)cc1 1084349016 GOYXJNFREIHDQK-UHFFFAOYSA-N 457.372 4.186 50 10 JIGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2cc([N+](=O)[O-])ccc2O)C1 1614809659 NKZKHVGFLZITDJ-RHSMWYFYSA-N 482.274 4.088 50 10 JIGE CCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1cc(OC)ccc1OC)C(C#N)=C(N)O2 1865692988 QKXCAWWYIKTIET-OAQYLSRUSA-N 450.926 4.383 50 10 JIGE CCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1cccc(OC)c1OC)C(C#N)=C(N)O2 1865701403 UWQCTZOONPDGLX-HXUWFJFHSA-N 450.926 4.383 50 10 JIGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@@H]1C[C@H]1Br 1877387298 BIGQXEYBSUFZDK-ARBPTSGCSA-N 471.395 4.449 50 10 JIGE O=C(N[C@@H](CBr)C[C@H]1CCOC1)c1cc(Br)c(Br)s1 1883292483 MPUXCCBGXDDIJV-HTQZYQBOSA-N 476.028 4.193 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CC2(CC2)C[C@@H]1CBr 2099154641 NJNHPUDHJVODRG-SNVBAGLBSA-N 498.984 4.443 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1C[C@H](Br)CC12CCC2 2099391153 DUEKANPHIBMLOM-SECBINFHSA-N 454.533 4.477 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CC[C@H](Br)[C@H]1C1CC1 2142279795 VJWNXEAYMWBPRL-WCQYABFASA-N 498.984 4.442 50 10 JIGE CCCN1CC[C@@H]([C@H](Cl)c2cc(I)ccc2Br)S1(=O)=O 2145769905 KOCDXTMRVBTVHW-QWHCGFSZSA-N 492.604 4.148 50 10 JIGE C[C@H]1CN(C(=O)c2cc(Br)cc(Br)c2)C[C@@H](CCBr)O1 2179373261 DRMRGAUTKVXWGV-TVQRCGJNSA-N 469.999 4.226 50 10 JIGE O=S(=O)(c1ccc(Cl)c(CBr)c1)N1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2179791907 YATPIDUZDQZXDV-HDICACEKSA-N 469.832 4.272 50 10 JIGE CC(F)(F)[C@@H]1CCN(S(=O)(=O)c2cc(CBr)sc2Br)C1 2179794642 JGLXOFKLXQSMIO-SSDOTTSWSA-N 453.168 4.071 50 10 JIGE CCCN1CC[C@@H]([C@@H](Cl)c2ccc(Br)cc2I)S1(=O)=O 2207268883 OBEFXBHJXLPIBJ-STQMWFEESA-N 492.604 4.148 50 10 JIGE BrC[C@@]12CN(Cc3c(Br)cccc3Br)C[C@@H]1CCO2 2231272522 MAXPMPJXGDBLMA-IINYFYTJSA-N 454.000 4.197 50 10 JIGE C[C@](CBr)(NC(=O)Cc1cc(Br)cc(Br)c1)C1CC1 2277931213 ZJDMUMPTDZFKPA-CQSZACIVSA-N 454.000 4.434 50 10 JIGE CC[C@H](CBr)CS(=O)(=O)c1cc(I)ccc1Br 2300847462 RZOFJYCJYZLNSC-MRVPVSSYSA-N 496.002 4.249 50 10 JIGE O=C(N[C@H]1C[C@@H](CCl)[C@@H]2C[C@@H]12)c1cc(I)ccc1Br 2329874833 GAHBHSRKYLPKFS-OIORRXCASA-N 454.533 4.047 50 10 JIGE O=C(N[C@@H]1C[C@@H]2C[C@H]1C[C@@H]2Br)c1cc(I)ccc1Br 2330900789 JJBDZZRJQDLXJY-QQXRRDQMSA-N 498.984 4.346 50 10 JIGE O=S(=O)(N[C@H]1C[C@H](CBr)C12CCC2)c1cc(Cl)c(Br)s1 2379716234 BTACCJAKRFFYNT-APPZFPTMSA-N 463.644 4.396 50 10 JIGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)Nc1cccc(Cl)c1 13982560 KGDJGIYQSPSKGB-UHFFFAOYSA-N 491.567 4.405 50 10 JIGE O=C(NNC(=S)NC(=O)c1ccc(OCCc2ccccc2)c(Br)c1)c1ccccc1 14767155 UYTUMGVWILPXDO-UHFFFAOYSA-N 498.402 4.020 50 10 JIGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)COc2cc(C)cc(C)c2)c(Br)c1 14832197 JPIDVZRGBAPDIH-INIZCTEOSA-N 463.372 4.185 50 10 JIGE N#CC1=C(N)Oc2cc(OC(=O)[C@@H]3COc4ccccc4O3)ccc2[C@@H]1c1cccc(Cl)c1 38687687 QEEJRELKFLVASG-GOTSBHOMSA-N 460.873 4.304 50 10 JIGE N#C/C(=C/c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)cc1)C(=O)Nc1ccccc1C(=O)O 96921149 HYYPBSCTBNPDLL-SSZFMOIBSA-N 482.901 4.352 50 10 JIGE O=C1O[C@@](CBr)(CCCCCCOc2ccc(Cl)cc2)C(=O)N2CCC[C@H]12 98087770 IHEVAFQIMLAROP-YLJYHZDGSA-N 458.780 4.351 50 10 JIGE COc1cc(C=NNC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)ccc1OC(C)C 254494766 ZRWMGSPOADMWPS-UHFFFAOYSA-N 476.558 4.071 50 10 JIGE CC(=NNC(=O)Cc1csc(C)n1)c1ccc(Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 254826759 ZOMUNYKVOPDPCL-UHFFFAOYSA-N 474.590 4.076 50 10 JIGE N#CCCn1cc(/C=C(\C#N)C(=O)N2CC(Oc3ccccc3)C2)c(-c2ccc(Cl)cc2)n1 729373196 FAVFSXHFXFYFFI-CPNJWEJPSA-N 457.921 4.314 50 10 JIGE CCc1cccc(C)c1N1C[C@@H](C(=O)NNC(=O)c2ccc(-c3ccc(F)cc3F)nc2C)CC1=O 1865759638 KNXZCLWWEBYPCL-SFHVURJKSA-N 492.526 4.020 50 10 JIGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)c2cc(-c3ccncc3)[nH]n2)cc1 1867158303 MJKNNLGQEYXNRZ-JOCHJYFZSA-N 486.532 4.164 50 10 JIGE C[C@@H]1C[C@@H](Br)CN(c2ncc(I)cc2Br)C1 1988533316 TVDYQYMYGJUOGR-HTQZYQBOSA-N 459.951 4.058 50 10 JIGE O=C(c1ccc(Br)cc1Br)N1C[C@@H]2CC[C@H](Br)[C@H]2C1 2087938347 WSCHRVPFGWIDFF-UWJYBYFXSA-N 451.984 4.457 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@H](C2CC2)[C@@H](Cl)C1 2090672917 CDYASVHPNSNFDH-PWSUYJOCSA-N 454.533 4.143 50 10 JIGE Clc1ccc(I)c(CN2CCO[C@@H]3C[C@H](Br)C[C@H]32)c1 2128865428 OINZQDZEMNAWQP-LERXQTSPSA-N 456.549 4.071 50 10 JIGE CCCN1CC[C@@H]([C@@H](Br)c2c(Br)cccc2Br)S1(=O)=O 2150502679 CYFAETUXUSUNEW-WCQYABFASA-N 490.055 4.462 50 10 JIGE C[C@@H]1[C@@H](C(F)(F)F)N(CC2(CBr)CCOCC2)CCN1C(=O)OC(C)(C)C 2172609600 NQFWPTXYIGBDNG-KGLIPLIRSA-N 459.347 4.050 50 10 JIGE CC(C)(C)OC(=O)NCC1CC([S@@](C)(=O)=NC(=O)c2ccc(CBr)cc2)C1 2192626560 QTSUJUYITGJSKC-ZZBITVLTSA-N 459.406 4.123 50 10 JIGE CCOc1ccc(Br)cc1[C@H](Br)c1nn(C)nc1Br 2226988288 XXXPKVODNVYLCO-JTQLQIEISA-N 453.960 4.223 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1CC[C@@H](Br)CC12CC2 2268352992 LGHUOUZURNQVTJ-SNVBAGLBSA-N 454.533 4.477 50 10 JIGE N#CC(C(N)=O)=C1S[C@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(Br)cc1 2296836410 MNWIEBHWUGVUTQ-MRXNPFEDSA-N 462.756 4.014 50 10 JIGE COc1ccc(C(NNC(=O)c2ccc(Cl)cc2)=C2C(=O)N(c3ccccc3)N=C2C)cc1 2297709004 RBCYEZISEQYGFW-UHFFFAOYSA-N 460.921 4.417 50 10 JIGE O=C(N[C@H](CCBr)COCc1ccccc1)c1cc(O)cc(Br)c1 2303700277 IDWCCXVXPBUSRY-MRXNPFEDSA-N 457.162 4.255 50 10 JIGE COc1ccc(C=CC(=NNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c2ccc(OC)cc2)cc1 2313530560 MMIHRMYFKPKBPN-UHFFFAOYSA-N 476.445 4.368 50 10 JIGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1CCS1(=O)=O 2317424077 SKZVMBODDHDCTQ-VXNVDRBHSA-N 464.976 4.282 50 10 JIGE O=C(NC1CC([C@@H](F)CBr)C1)c1ccc(Cl)cc1I 2340065456 KXECMLSWQCLTSZ-FBUXNDKQSA-N 460.512 4.186 50 10 JIGE O=C(NN=C1CCS(=O)(=O)c2ccc(F)cc21)c1ccccc1OCc1ccc(Cl)cc1 9716309 BPTYTDOEGNYBOQ-UHFFFAOYSA-N 472.925 4.370 50 10 JIGE CCOC(=O)c1sc(NC(=O)CCCS(=O)(=O)Cc2ccccc2)c(SC#N)c1C 10687205 KATAJFDBWAOVHQ-UHFFFAOYSA-N 466.606 4.140 50 10 JIGE CC(C)CCOc1ccccc1C(=O)NNC(=O)COc1ccc(Br)cc1Cl 14033744 DDBQZOYQIYZYAK-UHFFFAOYSA-N 469.763 4.367 50 10 JIGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)c1 38684896 APGDVIBZCFEYJZ-HSZRJFAPSA-N 457.442 4.431 50 10 JIGE CCOc1ccc(NC(=O)/C(C#N)=C\c2c(N3CCC[C@@H](C)C3)nc3c(C)cccn3c2=O)cc1 229848736 FBHKEJNUYJVSMN-CTBJKRMSSA-N 471.561 4.184 50 10 JIGE CCOc1cc(C=NNC(=O)c2ccncc2)ccc1OCCOCCOc1ccc(C)cc1 254443819 CLKAWHBMJCPLGP-UHFFFAOYSA-N 463.534 4.027 50 10 JIGE CS(=O)(=O)N(CC(=O)NN=Cc1ccc2c3c(cccc13)CC2)c1cccc2ccccc12 254627148 ONZQIYOYBIBUAN-UHFFFAOYSA-N 457.555 4.008 50 10 JIGE Cc1cc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)n1-c1ccc2c(c1)OCO2 254795119 MUVSGWSUTNZTKJ-UHFFFAOYSA-N 467.525 4.209 50 10 JIGE O=C(CNc1cccc2ccccc12)NN=Cc1cccc(OC(=O)c2ccc3c(c2)OCO3)c1 254870754 ARHQLGMMMJREOY-UHFFFAOYSA-N 467.481 4.350 50 10 JIGE C[C@@H](Br)c1cnnn1-c1cc(Br)ccc1I 309435138 MQKMNZPEURIMCW-ZCFIWIBFSA-N 456.907 4.090 50 10 JIGE COc1cccc(C=NNC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)c1 725379668 VOWAURYSMSOYGT-UHFFFAOYSA-N 471.966 4.079 50 10 JIGE O=C(NNC(=O)c1cccc2cccnc12)c1cnn(-c2ncc(Cl)cc2Cl)c1C(F)(F)F 730773468 BHYXNXNRCAEDOQ-UHFFFAOYSA-N 495.248 4.216 50 10 JIGE Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2CS(C)(=O)=O)c(C)n1-c1ccc(F)cc1 746807093 CXKNNTMEKXENTO-MOSHPQCFSA-N 451.523 4.324 50 10 JIGE Cc1cccc(N2CCN(C(=O)/C(C#N)=C\c3cn(CCC#N)nc3-c3ccccc3)CC2)c1 914465444 DODUOEXACRXBMZ-NKFKGCMQSA-N 450.546 4.028 50 10 JIGE N#CCCn1cc(/C=C(/C#N)C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)c(-c2ccccc2)n1 914466448 CNBQBDVGVCGJEQ-BWAHOGKJSA-N 492.583 4.313 50 10 JIGE NNC(=O)/C=C\c1cc(Cl)c(OCc2ccccc2Br)c(Br)c1 1084457428 MSEZTKMCPAPBIK-WAYWQWQTSA-N 460.553 4.447 50 10 JIGE Cc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccccc1C(=O)O 1084521173 GNCPMBXGXMKTOW-OQKWZONESA-N 454.530 4.048 50 10 JIGE CC(=O)c1c(C)[nH]c(C(=O)NNc2nc3ccccc3c(=O)n2-c2ccc(C(C)C)cc2)c1C 1565754550 HDNHYKGOPQBRND-UHFFFAOYSA-N 457.534 4.414 50 10 JIGE Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)oc2c1C(=NNC(=O)c1cccs1)CCC2 1772748937 HMRZCHMDHJNBIN-UHFFFAOYSA-N 480.565 4.221 50 10 JIGE COc1ccccc1NC(=O)[C@H](C)Oc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1 1858686070 ZZGRGBUSROMDNB-AWEZNQCLSA-N 452.423 4.015 50 10 JIGE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@H]2c1cc(Br)c(O)c(OC)c1 1865688805 BEAOJUGGSWTWRY-QGZVFWFLSA-N 467.323 4.265 50 10 JIGE CCCSc1ccccc1C(=O)NNC(=O)[C@@H](C)n1cnc2sc3c(c2c1=O)CC[C@H](C)C3 1865852318 RZWJHXRAXJEXTA-LSDHHAIUSA-N 484.647 4.107 50 10 JIGE CC[C@H](NC(=O)CCc1csc(-c2ccccn2)n1)C(=O)Nc1ccc(SC#N)cc1 1867058523 ZMACJRGRYYGNQB-SFHVURJKSA-N 451.577 4.244 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CN(C(=O)OC(C)(C)C)C2(CCC2)C1 1985347024 MAVLPEGFKBZZAN-MRXNPFEDSA-N 461.694 4.414 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CCN(C(=O)OC(C)(C)C)C2(CC2)C1 1985347767 YJBAFWDHWFHUPY-INIZCTEOSA-N 461.694 4.414 50 10 JIGE COCCN(Cc1ccccc1)S(=O)(=O)c1ccc(CBr)c(Br)c1 2009713128 WOXZCSCEULEUJK-UHFFFAOYSA-N 477.218 4.181 50 10 JIGE COCCN(Cc1ccccc1)S(=O)(=O)c1cc(CBr)cc(C)c1Br 2059286975 ROUOSYOXYYWOEY-UHFFFAOYSA-N 491.245 4.490 50 10 JIGE O=C(N[C@@H]1C[C@H]2C[C@H]1C[C@H]2Cl)c1cc(Br)ccc1I 2104401199 GWADOIUQLUODIK-LVNATWPUSA-N 454.533 4.189 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CC[C@@H]2[C@H](CBr)[C@@H]2C1 2142279749 URXSJDRPYCZLQB-ADEWGFFLSA-N 498.984 4.157 50 10 JIGE O=C(c1cccc(F)c1I)N1CCC[C@@H](CCBr)CC1 2149748777 QZWWITBUMRWMGK-NSHDSACASA-N 454.121 4.458 50 10 JIGE C[C@@]12CN(S(=O)(=O)c3cc(Br)ccc3Br)C[C@@]1(CBr)C2 2165489397 QGXUPOMGLOIYRH-OLZOCXBDSA-N 488.039 4.007 50 10 JIGE COc1cc(Br)c([C@@H](Br)c2cn(C)nc2Br)cc1OC 2173184633 XFIOYPMVDIOYKH-GFCCVEGCSA-N 468.971 4.447 50 10 JIGE O=S(=O)(c1ccc(CCBr)cc1)N(Cc1ccccc1)CC1CCOCC1 2179789859 WUKYKZNLKVXLNG-UHFFFAOYSA-N 452.414 4.242 50 10 JIGE CC1=C(Br)CN(S(=O)(=O)c2ccc(CBr)cc2Br)CC1 2179858002 HZHCARLOAYWOIZ-UHFFFAOYSA-N 488.039 4.407 50 10 JIGE CC(C)(C)[C@@H]1[C@H](Br)CCN1C(=O)c1cc(I)ccc1O 2185100808 SXKVDEQUTOEAMK-YPMHNXCESA-N 452.130 4.021 50 10 JIGE C#CC[C@@](C)(CBr)CNC(=O)c1ccc(Cl)c(I)c1 2268347080 AMMFNSXOGGEODL-AWEZNQCLSA-N 454.533 4.099 50 10 JIGE CS(=O)(=O)c1ccc2nc(NC(=O)C(C#N)=Cc3ccc(-c4cccc(C(=O)O)c4)o3)sc2c1 2297499709 WYLZHADNZBSZQK-UHFFFAOYSA-N 493.522 4.204 50 10 JIGE CC(=O)OCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)C(C)=C(C#N)C1=O 2314620132 KFRMJMQBWNTMAX-UHFFFAOYSA-N 498.514 4.224 50 10 JIGE O=C(N[C@H]1CC[C@@H]2C[C@]12CBr)c1cc(Cl)ccc1I 2331773315 SEQIAIOKYVAORV-CWONEXCFSA-N 454.533 4.238 50 10 JIGE CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccccc3[N+](=O)[O-])ccc21 38650457 PUQISCBYXAKHLC-RUZDIDTESA-N 487.468 4.196 50 10 JIGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)CCc2ccc(C(C)(C)C)cc2)c(OC)c1 40995874 KBVYBJRZPYWXMY-LTGZKZEYSA-N 464.562 4.200 50 10 JIGE C#CCOc1c(Br)cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc1Br 58889184 BHRJYDGPTDZPFA-QRAWFLTRSA-N 494.183 4.188 50 10 JIGE Cc1cccc(C)c1NC(=O)CSc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)o1 59507182 SLFVJZNVZZFRDV-FSJBWODESA-N 452.492 4.299 50 10 JIGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCCCOC)cc1C 102860531 LBXNGHHILFADDZ-OQKWZONESA-N 456.546 4.472 50 10 JIGE CCCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C(C#N)=C\c2ccc(OC)cc2)c(OC)c1 207130202 YFZSZHURWSPOIJ-FGBZTSAVSA-N 459.502 4.040 50 10 JIGE COc1cc(/C=C(/C#N)C(=O)N2CCOCC2)ccc1OC(=O)/C=C\c1ccc(C(C)C)cc1 207180580 RSVHXFJPPHGPCU-JPHOHASZSA-N 460.530 4.203 50 10 JIGE COc1ccc(C(=O)NN=Cc2ccc(OC(=O)/C=C\c3ccccc3)c(OC)c2)cc1OC 254393359 HEEQTQLPOOTPIT-UUHLQIINSA-N 460.486 4.095 50 10 JIGE COC(=O)c1cccc(-n2c(C)cc(C=NNC(=O)C(O)(c3ccccc3)c3ccccc3)c2C)c1 254571590 DJCXAOSDVGWWSW-UHFFFAOYSA-N 481.552 4.267 50 10 JIGE C[C@@H]1CN(Cc2ccccc2)C[C@H]1CCNS(=O)(=O)c1ccc(CBr)cc1 723743921 OLKHZCZJIHLVGW-YLJYHZDGSA-N 451.430 4.018 50 10 JIGE COc1cccc2c1OCC[C@H]2NC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1 725743012 CBOKNNMYGVFPGA-JXTFVVQCSA-N 453.502 4.019 50 10 JIGE N#CCCn1cc(/C=C(/C#N)C(=O)NC[C@@H]2CCN(CC(F)(F)F)C2)c(-c2ccc(Cl)cc2)n1 726527031 DGJCTFYAWALNOB-PMFHANACSA-N 490.917 4.025 50 10 JIGE CC(=O)N(c1nc(C=NNC(=O)CN2CCCc3ccccc32)cs1)c1ccc(F)cc1F 916309668 JNNZRUMFGZOSEW-UHFFFAOYSA-N 469.517 4.009 50 10 JIGE N#C/C(=C\c1ccccc1OCc1ccc(C(=O)O)cc1)C(=O)N1CCN(c2ccccc2)CC1 1083984740 VFRGBXKXAVXYDX-HKOYGPOVSA-N 467.525 4.220 50 10 JIGE O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)NN=Cc1cccc2ccccc12 1084520550 SYDOGBMDBGANDR-UHFFFAOYSA-N 471.582 4.224 50 10 JIGE O=C(CSc1cccc2ccccc12)NN=Cc1cc(Br)c(O)c([N+](=O)[O-])c1 1565518763 AUVQAGLDQXBATM-UHFFFAOYSA-N 460.309 4.459 50 10 JIGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(OC)c(O)c1)C(C#N)=C(N)O2 1865681968 CDKLNSKXNLSAIM-IBGZPJMESA-N 467.323 4.130 50 10 JIGE COc1cc(C(=O)NNC(=O)CCCSc2ccc(C)cc2)c(Br)c(OC)c1OC 1865755857 UJKFBHXWADUXIC-UHFFFAOYSA-N 497.411 4.117 50 10 JIGE O=C(NNc1ccccn1)[C@H]1CCCN(C(=O)/C=C/c2ccc(OCc3ccccc3)cc2)C1 1873777599 LUJNZONEMGWEMO-IGVGMEOHSA-N 456.546 4.056 50 10 JIGE BrC[C@H]1C[C@@]2(CCN2c2ncc(I)cc2Br)C1 2015765901 HYJBRMHVVHNJFC-ITWVYHRLSA-N 471.962 4.203 50 10 JIGE CN(C(=O)c1ccc(Br)cc1I)C1(CBr)CC1 2026216601 GPVUAKYAEVFLQI-UHFFFAOYSA-N 472.946 4.053 50 10 JIGE O=C(CCl)c1c(I)ccc(C(F)(F)F)c1I 2060052822 LLWBMFPHTMDBHN-UHFFFAOYSA-N 474.385 4.336 50 10 JIGE O=C(N[C@@H]1C[C@H](CBr)[C@H]2C[C@H]21)c1c(Br)cccc1Br 2110549352 MXKWNWDPKXVDPF-MFYTUXHUSA-N 451.984 4.361 50 10 JIGE CN(C(=O)c1cc(Cl)ccc1I)[C@@H](CCBr)C(F)F 2121995637 NYUVCZALVFURCJ-JTQLQIEISA-N 466.491 4.435 50 10 JIGE O=S(=O)(c1cc(CBr)ccc1Cl)N1CC[C@H](COCc2ccccc2)C1 2123211342 VLEOAIGTKUWAFU-KRWDZBQOSA-N 458.805 4.462 50 10 JIGE CC(C)(C)OC(=O)N[C@@H]1CCN(S(=O)(=O)c2ccc(CBr)cc2)C(C)(C)C1 2163056766 VLZWTZFGHFJRMA-OAHLLOKOSA-N 461.422 4.038 50 10 JIGE O=C(c1cc(Br)c(Br)s1)N1CCC2(CC1)C[C@@H](Br)CO2 2173170318 JHXXUKWFOGQHJM-MRVPVSSYSA-N 488.039 4.432 50 10 JIGE CC(C)S[C@@H]1CCN(S(=O)(=O)c2cc(CBr)sc2Br)C1 2179776269 SHYKCMPAOWOCQZ-SECBINFHSA-N 463.282 4.310 50 10 JIGE Cn1nc([C@@H](Br)c2ccc3c(c2Br)CCO3)cc1Br 2229722174 FIMAABSSOHPOHL-ZDUSSCGKSA-N 450.956 4.364 50 10 JIGE CC1(C)OCCN(C(=O)c2cc(Br)cc(Br)c2)[C@H]1CBr 2282799860 NIUUOIHQGRLWHJ-LBPRGKRZSA-N 469.999 4.226 50 10 JIGE O=C(NC[C@H]1CCCC[C@H]1CBr)c1c(F)cccc1I 2282811478 YVRYQSPVCKMHSK-WDEREUQCSA-N 454.121 4.361 50 10 JIGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cn(C)c3ccccc23)cc1 2293601565 WONBFPYKYVUXAM-UHFFFAOYSA-N 465.557 4.166 50 10 JIGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(Br)cc2)cc1 2295523557 NQXDHPUHJYXCDF-UHFFFAOYSA-N 491.389 4.436 50 10 JIGE Cc1cccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)S(=O)(=O)c2ccccc2)c1C 2296543597 OWDXKMVQISDGSY-UHFFFAOYSA-N 457.511 4.442 50 10 JIGE CCOC(=O)COc1cc(Br)c(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc1OC 2313568025 NVOSCBJLXQFYQB-UHFFFAOYSA-N 473.323 4.254 50 10 JIGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CNC(=O)C=Cc3ccccc3)cc2)cc1 2325747877 JKVSMLBZGFIMTL-UHFFFAOYSA-N 492.582 4.100 50 10 JIGE O=C(N[C@@H]1C[C@@H]2C[C@H]1C[C@H]2Br)c1cc(I)ccc1Br 2330900788 JJBDZZRJQDLXJY-GYBADROVSA-N 498.984 4.346 50 10 JIGE COc1c(Br)cc(C)c([C@@H](Br)[C@@H]2CCS2(=O)=O)c1Br 2339690630 KBTQTSCBTGVSTC-WPRPVWTQSA-N 477.012 4.152 50 10 JIGE CCCc1cc(C(=O)OC)c(NC(=O)/C(C#N)=C/c2c[nH]nc2-c2ccc(OC)c(OC)c2)s1 5919310 AVOMIRAFUCFHFC-OQLLNIDSSA-N 480.546 4.440 50 10 JIGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1ccc(O[C@H](C)CC)cc1 10294934 NCVXOECMBSKLIE-DLBZAZTESA-N 457.596 4.092 50 10 JIGE Cc1cc(OCC(=O)NNC(=O)COc2ccc(Cl)cc2C)c(C(C)C)cc1Br 12490314 KAQDISKTJVNNIU-UHFFFAOYSA-N 483.790 4.448 50 10 JIGE CCCOC(=O)c1cc(-c2ccc(/C=C3/C(=O)N(C[C@@H](C)O)C(=O)C(C#N)=C3C)o2)ccc1Cl 33155142 RVICBVPJNTUVGZ-XWAFYUISSA-N 482.920 4.140 50 10 JIGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(OC)c(OC)c(OC)c4)ccc32)cc1 38650327 XIRMORIAAHDXMR-XMMPIXPASA-N 488.496 4.158 50 10 JIGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc32)cc1 38685747 YQTAFVVZNHTSRK-QHCPKHFHSA-N 457.442 4.431 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CCCC[C@@H]1CBr 232460029 LCIWBLLBMSSNDD-SNVBAGLBSA-N 486.973 4.443 50 10 JIGE COc1ccc(-n2c(SCC(=O)NN=Cc3cccc([N+](=O)[O-])c3)nnc2-c2ccccc2)cc1 254287506 IOBGZGVQSZSYFE-UHFFFAOYSA-N 488.529 4.094 50 10 JIGE CC(=NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)c1cccc(Br)c1 254381904 WRHIILSQHSFCDR-UHFFFAOYSA-N 475.346 4.361 50 10 JIGE COc1cccc(C=NNC(=O)c2ccccc2-n2cccc2)c1OS(=O)(=O)c1ccc(C)cc1 254702874 FREVHMKHQWAWBQ-UHFFFAOYSA-N 489.553 4.326 50 10 JIGE CC(=NNC(=O)[C@H](O)c1ccccc1)c1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1 254813037 NTNVEKBJDQMJPR-OAHLLOKOSA-N 479.352 4.032 50 10 JIGE COc1cc(OCc2ccccc2)c(C(=O)CBr)cc1I 398526899 AFDDSEABHBSSFV-UHFFFAOYSA-N 461.093 4.456 50 10 JIGE COC1(CBr)CCN(C(=O)c2cc(Br)cc(Br)c2)CC1 401920591 NCVSJWLJWGUSRH-UHFFFAOYSA-N 469.999 4.228 50 10 JIGE O=C(NNC(=O)c1ccc(Br)cc1Cl)c1cc2c(Br)cccc2[nH]1 728870124 SFPRMYJVAGXODF-UHFFFAOYSA-N 471.536 4.421 50 10 JIGE N#CCCn1cc(/C=C(\C#N)C(=O)Nc2ccc(-n3ccnc3)c(F)c2)c(-c2ccccc2)n1 918663071 DNGAFIJQWQRYAK-CPNJWEJPSA-N 451.465 4.334 50 10 JIGE COc1ccc(N(CC(=O)NN=Cc2sccc2C)S(=O)(=O)c2ccccc2)cc1Cl 1084197607 ACVUXCRAYKSKMN-UHFFFAOYSA-N 477.995 4.064 50 10 JIGE CC(C)(CI)CN1CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC1 1893392054 GBIYBXGXZAXITJ-UHFFFAOYSA-N 497.418 4.152 50 10 JIGE N#CC(C(=O)COC(=O)c1ccc(-c2ccccc2)cc1)=C(c1ccc(F)cc1)N1CCOCC1 2040487378 CLMLNHZGVUWNIQ-UHFFFAOYSA-N 470.500 4.486 50 10 JIGE CN(C(=O)c1csc(I)c1)[C@H](CCBr)C(F)(F)F 2058219520 ISICXYOEALHVTL-SSDOTTSWSA-N 456.065 4.141 50 10 JIGE C[C@H]1C[C@@H](Br)CCN1C(=O)c1ccc(Br)cc1I 2086154153 RAKHWFONEQNJBA-WPRPVWTQSA-N 486.973 4.442 50 10 JIGE O=C(N[C@@H]1C[C@H](CCl)[C@H]2C[C@H]21)c1ccc(I)c(Br)c1 2110544798 ZPVXUNBQXUXRCD-VWMGYNLJSA-N 454.533 4.047 50 10 JIGE O=C(c1csc(Br)c1Br)N1CC[C@]2(C[C@H](Br)CO2)C1 2137120147 DHXNUWAWPDJDRB-MADCSZMMSA-N 474.012 4.042 50 10 JIGE CCN1CCC[C@H]([C@@H](Cl)c2ccc(I)c(Br)c2)S1(=O)=O 2145784059 ZMMLPVQSAGEAIA-OLZOCXBDSA-N 492.604 4.148 50 10 JIGE O=S(=O)(c1cc(Cl)c(Br)s1)N1C[C@@H](Br)CC2(CCC2)C1 2151347392 LCUNIIFMCSEBFG-QMMMGPOBSA-N 463.644 4.492 50 10 JIGE CC(C)(C)OC(=O)NC1CC(C[S@@](C)(=O)=NC(=O)c2ccc(CBr)cc2)C1 2172246865 LHGQYTDJSYHNKZ-ZZBITVLTSA-N 459.406 4.123 50 10 JIGE Cc1cc(CBr)ccc1S(=O)(=O)N1CCCN(Cc2ccccc2)C[C@H]1C 2179789533 RVBPDMAHVJBUPR-GOSISDBHSA-N 451.430 4.175 50 10 JIGE C[C@@]12CN(C(=O)Cc3cc(Br)cc(Br)c3)C[C@]1(CBr)C2 2295309587 KYCYXGPNPALOEI-HUUCEWRRSA-N 466.011 4.388 50 10 JIGE CC[C@@H](CBr)CS(=O)(=O)c1cc(I)ccc1Br 2300847463 RZOFJYCJYZLNSC-QMMMGPOBSA-N 496.002 4.249 50 10 JIGE CC(C)(C)OC(=O)NCCCCCC(=O)NN=Cc1c(C(=O)O)[nH]c2ccc(Cl)cc12 2328801183 UKMUQPDOPGPMLW-UHFFFAOYSA-N 450.923 4.055 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@H]2CC[C@H]1C[C@H]2Br 2337063842 IKBSJCRNHXSVHO-UBHAPETDSA-N 498.984 4.442 50 10 JIGE O=C(c1ccc(F)cc1I)N1[C@H]2CCC[C@H]2C[C@@H]1CBr 2354694085 MHSRLAWCKFDNAX-PXWWUCIGSA-N 452.105 4.208 50 10 JIGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)COc2c(C)cccc2C)c(Br)c1 14832200 IIWGEAOVUIRAKJ-CQSZACIVSA-N 463.372 4.185 50 10 JIGE C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCC(=O)OC 59303652 OKAUZLUKGAYVPT-WYMPLXKRSA-N 471.307 4.240 50 10 JIGE C[C@@H](NC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1)c1ccccc1 59506895 ZCVPVKAWDWRJSA-CIRUFVMISA-N 480.362 4.356 50 10 JIGE Cc1ccccc1OCC(=O)NN=Cc1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 252597770 CVHOAIXAYXPVLW-UHFFFAOYSA-N 451.910 4.195 50 10 JIGE Br[C@H]1C[C@]23C[C@@H](Br)[C@H](Br)C[C@]2(C[C@@H]1Br)O3 396162713 QUGBRDPBXHAGDV-VIKJWPDYSA-N 467.821 4.136 50 10 JIGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)N[C@H](C)c2oc3ccccc3c2C)cc1 920850435 AFUNGZRVXUAGIB-SQVRNEIYSA-N 497.555 4.273 50 10 JIGE CCN(CC)c1ccc(C=NNC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)cc1 1083977660 UTMPECKMKMNUII-UHFFFAOYSA-N 478.618 4.187 50 10 JIGE CCN(CC)c1ccc(C=NNC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)cc1 1084025331 ZADRXPPQOXVVJX-UHFFFAOYSA-N 485.617 4.418 50 10 JIGE COC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N3CCN(c4ccccc4)CC3)c2C)c(C)c1 1084522526 DIPCRHKQGWEHGC-XIEYBQDHSA-N 482.584 4.445 50 10 JIGE C#CC[C@H](CCOC)NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(Br)cc2)c1C 1461930831 BXMMLBSLLXPGGZ-LUDQZLGDSA-N 454.368 4.308 50 10 JIGE CC(=O)N(C)c1ccc(CNC(=O)NNc2ccc(Br)cc2C(F)(F)F)cc1 1470834111 YNPHDOLAMABBJQ-UHFFFAOYSA-N 459.266 4.277 50 10 JIGE C#Cc1cccc(NC(=S)NNC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(F)cc3)c2C)c1 1594437737 SKKGJTSXDZYJBB-XSFVSMFZSA-N 457.534 4.139 50 10 JIGE Cc1ccc(-c2csc3ncn(CC(=O)NNC(=O)/C=C/c4ccc(C(C)C)cc4)c(=O)c23)cc1 1860770612 PPBLJRZLNNQALF-MDWZMJQESA-N 486.597 4.418 50 10 JIGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(OC)c(O)c1)C(C#N)=C(N)O2 1865682882 ZLXRZFOLQRYYHS-NRFANRHFSA-N 450.926 4.470 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Br)cc2)[C@H]1c1cccnc1 1865699854 DWUAWBUWSPGYLL-AWEZNQCLSA-N 462.229 4.267 50 10 JIGE COc1ccc(CCC(=O)NNC(=O)c2ccc(-c3ccc(Cl)cc3)nc2C)cc1OC 1865755599 HNBIJOIFYCLOIT-UHFFFAOYSA-N 453.926 4.121 50 10 JIGE CN(C[C@H]1C[C@H](Br)C1)S(=O)(=O)c1ccc(Br)cc1Br 1887913053 XHZCDOBYRVMROH-CZMCAQCFSA-N 476.028 4.006 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2CC[C@H](Br)[C@@H]2C)cc1Br 1914423747 NVPQEEDIIKPMSO-IUCAKERBSA-N 476.028 4.066 50 10 JIGE CN(C[C@@H](Br)COCc1ccccc1)S(=O)(=O)c1cccc(C(F)(F)F)c1 1916364296 KRJUCVRVHMKUGT-MRXNPFEDSA-N 466.319 4.306 50 10 JIGE O=C(N[C@H]1CC[C@@H](Br)C1)c1ccc(I)c(Br)c1 2008598789 RWBHDULUXUPDAB-BDAKNGLRSA-N 472.946 4.100 50 10 JIGE C[C@@]1(CCBr)CCN(c2ncc(I)cc2Br)C1 2015765885 HSDQMAOPJQZJKG-GFCCVEGCSA-N 473.978 4.450 50 10 JIGE O=S(=O)(C[C@@H](Br)c1cccc(Br)c1Br)N1CCCC1 2092336460 YBSLRFCGEGNRAJ-LLVKDONJSA-N 476.028 4.073 50 10 JIGE C[C@H](Br)C[C@H]1COCCN1C(=O)c1csc(Br)c1Br 2128882752 XVKMGEKSEDJSPY-YUMQZZPRSA-N 476.028 4.288 50 10 JIGE Cc1c(CBr)cccc1NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2268337345 ILJHLZQSHLGWDF-UHFFFAOYSA-N 479.396 4.098 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1C[C@H]2C[C@H]1CC[C@H]2Br 2268348118 UAGZFFNBZOAFJV-GMTAPVOTSA-N 454.533 4.333 50 10 JIGE CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@H](Br)C2CCCC2)[C@H](C(F)(F)F)C1 2281010794 ZFTNIUJKOGIFTA-HZSPNIEDSA-N 457.331 4.387 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1CC[C@@H](CBr)C(F)(F)C1 2283656253 XSNDZKYKLXGRCL-VIFPVBQESA-N 478.502 4.437 50 10 JIGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C(=O)O)cc2)ccc1OC(=O)c1cccc(F)c1 2293579778 IVCPJTAKMOQIQM-UHFFFAOYSA-N 460.417 4.297 50 10 JIGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)C1=Cc1ccc(-c2ccc(Br)cc2)o1 2314618359 LXKZOULCTYGXQJ-SFHVURJKSA-N 467.319 4.480 50 10 JIGE Cn1c(SCC(=O)NN=Cc2ccc(OC(=O)c3cccs3)cc2)nc2ccccc21 2322914376 RDPYKBRSVYLHQZ-UHFFFAOYSA-N 450.545 4.096 50 10 JIGE O=C(N[C@H]1C[C@@H](CBr)[C@@H]2C[C@@H]12)c1ccc(Br)cc1Br 2329870996 SPWPYYOPAQTHRE-CXSMTQNASA-N 451.984 4.361 50 10 JIGE Cc1nn(C)c(OCc2ccc(I)c(Br)c2)c1CCl 2350076620 INEJVNLWVJELNO-UHFFFAOYSA-N 455.521 4.413 50 10 JIGE CC(C)[C@H](Br)C(=O)N1CC[C@H](CCNC(=O)OC(C)(C)C)C[C@@H]1C(F)(F)F 2362754312 SZXHYJPOGVZKFC-MJBXVCDLSA-N 459.347 4.490 50 10 JIGE COCCO[C@@H]1[C@@H](Br)C[C@H]1OCc1c(Br)cccc1Br 2366144379 DTDBXDUBGNLVJB-BFHYXJOUSA-N 472.999 4.296 50 10 JIGE O=C(CSc1nc(=O)c2c(-c3ccc4c(c3)CCCC4)csc2[nH]1)N/N=C/c1ccco1 2614516 UAWQKEUEFKSRNW-BHGWPJFGSA-N 464.572 4.366 50 10 JIGE CCCOc1ccc(C(=O)NNC(=O)c2ccc(C)c(Br)c2)cc1Br 14647351 NMXWJGZMESFTOU-UHFFFAOYSA-N 470.161 4.384 50 10 JIGE CC(C)CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)C1CCCCC1 14651268 YOLAWRFKVPLNAR-UHFFFAOYSA-N 470.433 4.090 50 10 JIGE O=C(NN1C(=O)/C(=C/c2ccccn2)N=C1c1ccccc1)[C@@H](Cl)CC(Cl)(Cl)Cl 15223292 BSXHGUHUKWCTCD-QTNMRXCUSA-N 472.159 4.110 50 10 JIGE C/C(=N\NC(=O)CCC(=O)Nc1ccc(I)cc1C)c1ccc(C)cc1 27498070 VGBYCHLIIVGVAJ-HZHRSRAPSA-N 463.319 4.167 50 10 JIGE Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)OCC(=O)C(C#N)=C1Nc2ccccc2N1 28830450 PSPSQFPPDGKFCE-UHFFFAOYSA-N 461.909 4.200 50 10 JIGE Cc1ccc2cccc(Nc3ncnc(NNC(=O)c4ccccc4Br)c3N)c2n1 40758664 NKOGZYADBMOFKU-UHFFFAOYSA-N 464.327 4.178 50 10 JIGE COc1cc(/C=C(\C#N)C(=O)NC(C)C)ccc1OC(=O)COc1ccc(C)cc1Br 40878949 SXPNCEOLCXUYOQ-LICLKQGHSA-N 487.350 4.182 50 10 JIGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)/C(C#N)=C/c1ccc(OC)cc1 40927185 FDCIIJQZVQYTEA-ZEXDNOMMSA-N 497.507 4.423 50 10 JIGE C[C@@](CBr)(NC(=O)c1csc(I)c1)c1ccccc1 134441629 YPMBRWHRLWWGHF-AWEZNQCLSA-N 450.139 4.393 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)NC(C)(C)[C@H](C)Br)cc1Br 145743345 CQSGNPLUWBGOOY-QMMMGPOBSA-N 478.044 4.360 50 10 JIGE CC(C)(C)OC(=O)N1C[C@H](I)[C@H](OCc2ccccc2Br)C1 231319660 WMRAIUMJUYRSRJ-UONOGXRCSA-N 482.156 4.389 50 10 JIGE CC1(C)CN(C(=O)c2cc(Br)cc(Br)c2)C[C@@H](CBr)O1 232792050 OOXVUJANASFBOD-GFCCVEGCSA-N 469.999 4.226 50 10 JIGE C[C@@H](CBr)[C@@H](C)NC(=O)c1cc(Br)ccc1I 235110261 QZVKECWWSQHVML-JGVFFNPUSA-N 474.962 4.203 50 10 JIGE CCCOc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(O)c([N+](=O)[O-])c2)cc1 254761076 HTRHALFBBMCHQT-ILOYKCLFSA-N 488.500 4.010 50 10 JIGE Nc1cccc(F)c1[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1CI 382720197 MWIBOWBRWFPBBV-HUUCEWRRSA-N 454.283 4.195 50 10 JIGE C[C@H]1CCCN(C(=O)c2cccc(F)c2I)[C@@H]1CCBr 721698231 OTLLUYIAZHGGFH-GXFFZTMASA-N 454.121 4.456 50 10 JIGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(C)n(-c3ccccc3C(=O)O)c2C)cc1 725443686 CYLNEFIKJTZOBD-XMMPIXPASA-N 463.534 4.155 50 10 JIGE CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NNc1nc(-c2ccccc2)no1 728080202 AUBYLGHISBZHLE-KRWDZBQOSA-N 462.337 4.331 50 10 JIGE COc1ccc(CNC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)c(OC)c1 914473651 APHWSROMCYUJQA-XDHOZWIPSA-N 475.936 4.358 50 10 JIGE O=C(NN=C1C(=O)N(CCc2ccccc2)c2ccc(Br)cc21)c1cccc([N+](=O)[O-])c1 1084216034 RHVHXNRLEVPVCZ-UHFFFAOYSA-N 493.317 4.081 50 10 JIGE Cc1ccc(OCC(=O)NN=C2C(=O)N(Cc3ccccc3F)c3ccccc32)cc1Cl 1084303984 VWRPFYJDZRPKBG-UHFFFAOYSA-N 451.885 4.234 50 10 JIGE CC(=O)c1ccc(Oc2ccc(C(=O)NNC(=O)c3cc(-c4ccc(F)cc4)[nH]n3)cc2)cc1 1624398252 KCZVMHVVILJLDW-UHFFFAOYSA-N 458.449 4.286 50 10 JIGE COc1cc(C=NNC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc(Br)c1O 1772755999 JFXNVJMLIZIKHS-LBPRGKRZSA-N 455.736 4.351 50 10 JIGE CC(=O)c1sc(NC(=O)COc2cccnc2NC(=O)Nc2ccc(SC#N)cc2)nc1C 1858863335 SIJWCFCGKFBGTQ-UHFFFAOYSA-N 482.547 4.284 50 10 JIGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@@H](c2ccc(O)c([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865714101 CNRHGSVXSJBDBO-QFIPXVFZSA-N 481.468 4.380 50 10 JIGE C[C@@H]1CN(c2ncc(I)cc2Br)C[C@]1(C)CBr 2015763352 XFDUJFQNWBMKCC-PELKAZGASA-N 473.978 4.306 50 10 JIGE O=C(NC1(CCBr)CC1)c1ccc(Br)cc1I 2026219544 XBEFQKHPALZVTH-UHFFFAOYSA-N 472.946 4.101 50 10 JIGE O=S1(=O)CC[C@@H]([C@@H](CBr)Cc2cccc(Br)c2Br)C1 2092335364 MICUMNJWWVJJDO-GHMZBOCLSA-N 475.040 4.200 50 10 JIGE C[C@@]12CN(C(=O)c3ccc(Br)cc3I)C[C@]1(CBr)C2 2142284589 FBSUSYMDAUGEHK-ZIAGYGMSSA-N 498.984 4.301 50 10 JIGE C[C@@H]1CC[C@@](CBr)(NS(=O)(=O)c2cc(Br)ccc2Br)C1 2194678641 INYAIPMMSRVWGH-NOZJJQNGSA-N 490.055 4.444 50 10 JIGE CC(C)(C)OC(=O)N1[C@H]2CSC[C@H]1CC1(CC[C@@](C)(CI)O1)C2 2244166576 HYMQILLZLOGTDV-IOASZLSFSA-N 453.386 4.244 50 10 JIGE C#CCOc1c(I)cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc1OC 2313568230 PXGQWUMHNNVUDK-UHFFFAOYSA-N 472.282 4.166 50 10 JIGE COc1cccc(CCNC=C(C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 2324609779 FSRYBMLLYBETHA-UHFFFAOYSA-N 480.612 4.169 50 10 JIGE CCN(CC)CCNC(=O)c1ccc(NC(=O)C(C#N)=Cc2cccc(Br)c2)cc1 2329697762 NSVCHQWDFKHQLY-UHFFFAOYSA-N 469.383 4.066 50 10 JIGE O=C(c1cc(Br)ccc1Br)N1C[C@H]2C[C@@H](CBr)[C@H]2C1 2330496751 WOJXYWPDROFSPU-YGOYTEALSA-N 451.984 4.315 50 10 JIGE O=C(N[C@H](CCBr)COCc1ccccc1)c1cc(Br)cc([N+](=O)[O-])c1 2343417798 HSOMJDKMWMUGPR-MRXNPFEDSA-N 486.160 4.458 50 10 JIGE CCOc1ccc(Br)cc1C(=O)NNC(=O)C(c1ccccc1)c1ccccc1 14654911 ZDIUTBIRTYTLNW-UHFFFAOYSA-N 453.336 4.441 50 10 JIGE C/C(=N\NC(=O)CCCNC(=O)c1ccccc1Br)c1ccc(Br)cc1 33959087 BWIYNXYTUDUOBI-YDZHTSKRSA-N 481.188 4.262 50 10 JIGE N#C/C(=C/c1cc(Br)cc(I)c1O)C(=O)NC1CCCCC1 35363226 COKCKJVRAXHFOA-WDZFZDKYSA-N 475.124 4.115 50 10 JIGE COc1cc(OC)c(Nc2ncnc(NNC(=O)c3ccc(Cl)cc3)c2[N+](=O)[O-])cc1Cl 40657829 HIITWHIDTJEHAP-UHFFFAOYSA-N 479.280 4.209 50 10 JIGE Cc1c(C(=O)N(C)Cc2ccccc2)oc2c1/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 40814626 KWTHQXRLBYMXQL-SZXQPVLSSA-N 474.517 4.168 50 10 JIGE C=CCNC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(OC)cc1 101241672 LDDXFEOEJISIFU-ZNCVUUBVSA-N 453.951 4.077 50 10 JIGE O=S(=O)(NC[C@H](Br)C1CC1)c1c(Cl)cc(Br)cc1Cl 136649986 VHFAAHQRVRRKMC-QMMMGPOBSA-N 451.995 4.208 50 10 JIGE CCOc1c(Cl)cc(/C=N/NC(=O)c2nc(Cl)c(Cl)c(N)c2Cl)cc1OC 169928053 YFCSLOXBCZSGQK-GEVRCRHISA-N 452.125 4.449 50 10 JIGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\Nc1cc(Br)ccn1 217254414 JPBAVBXZQDJSJJ-LUAWRHEFSA-N 483.107 4.215 50 10 JIGE O=C(Cc1nnc(NC(=O)c2ccco2)s1)NN=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 254519054 PKTXYLAPXGHLCV-UHFFFAOYSA-N 489.435 4.355 50 10 JIGE CN(C(=O)c1cc(I)ccc1Br)[C@H]1CCC[C@@H]1Br 709264730 AHTIOHZMOVCXJB-RYUDHWBXSA-N 486.973 4.442 50 10 JIGE CC1(C)CN(C(=O)c2ccc(I)c(Br)c2)C[C@@H]1Br 721577220 JKXBTGSYKNWABM-NSHDSACASA-N 486.973 4.299 50 10 JIGE O=C(N[C@H](CCl)CC(F)F)c1ccc(I)c(Br)c1 721606816 XKMJFFLLCXWYLO-ZETCQYMHSA-N 452.464 4.046 50 10 JIGE CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(C=NNC(=O)[C@H]2Cc3ccccc3O2)cs1 748142767 VNVOGVPDKBAGKU-LJQANCHMSA-N 474.464 4.300 50 10 JIGE CCOc1cc(C=NNC(=O)CN2CCOCC2)cc(Cl)c1OCc1cccc2ccccc12 1084301887 PPHVUQCNOPBOHU-UHFFFAOYSA-N 481.980 4.253 50 10 JIGE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NN=c1cc[nH]c(C)c1 1585314227 XHAYDQMHZVYISW-VWLOTQADSA-N 456.546 4.129 50 10 JIGE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)[C@H](C)Oc1ccc2ccccc2c1 1608458796 DZJKSXCRURZSMY-LAUBAEHRSA-N 455.555 4.004 50 10 JIGE COc1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)cc1OC 1614807788 JSGLHSDVKKCWDK-ROUUACIJSA-N 481.330 4.491 50 10 JIGE C/C(=C\C(=O)NNc1nc2ccccc2c(=O)n1CCCOC(C)C)c1cccc(Cl)c1 1617519706 VASXMUUTPZDLFH-SAPNQHFASA-N 454.958 4.412 50 10 JIGE N#C/C(=C\c1ccc(Cl)cc1)C(=O)Nc1ccc(I)cc1C(=O)O 1866127979 PWJOCGAXDSHWIU-YRNVUSSQSA-N 452.635 4.188 50 10 JIGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(Cl)cc2)sc(C(=O)OCCOC)c1C 1866128313 JSFXXFAAWIKASJ-RVDMUPIBSA-N 476.938 4.236 50 10 JIGE CC[C@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)OCCCO2 1915087863 BLKNNQNRHSJPRN-KRWDZBQOSA-N 454.386 4.212 50 10 JIGE C[C@@H]1CN(c2ncc(I)cc2Br)CC[C@H]1CBr 2015757071 OGMJOPBTVOXORH-BDAKNGLRSA-N 473.978 4.306 50 10 JIGE O=S(=O)(c1ccc(CBr)cc1Br)N(Cc1ccccc1)[C@H]1CCOC1 2059311846 BYYXUENSPSWNCI-INIZCTEOSA-N 489.229 4.324 50 10 JIGE CC(C)(C)OC(=O)N1CCC(CI)(OC[C@H]2C[C@@]23CCCOC3)CC1 2077653945 MBCZBFYAXVNMHN-CRAIPNDOSA-N 465.372 4.024 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CC[C@H](Br)C2(CC2)C1 2093180781 NZXPAZFQVXYDEO-LBPRGKRZSA-N 498.984 4.443 50 10 JIGE C[C@]1(NS(=O)(=O)c2cc(Br)ccc2Br)CCC[C@@H]1Br 2126317348 FPEPWELBNKQIMQ-RYUDHWBXSA-N 476.028 4.196 50 10 JIGE O=C(Cc1ccccc1I)N1CCC[C@@H](CCBr)CC1 2149748892 RTICGWBBSAPLNN-ZDUSSCGKSA-N 450.158 4.247 50 10 JIGE Cc1sc(C)c(S(=O)(=O)NC[C@H](Br)CC(F)(F)F)c1Br 2175691066 WIKBFTWCZHHVCB-SSDOTTSWSA-N 459.147 4.122 50 10 JIGE CN([C@@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)Cc1cccc(CBr)c1 2179785839 RHZHASKLDKGRFW-OAQYLSRUSA-N 451.430 4.008 50 10 JIGE O=S(=O)(c1csc(CBr)c1)N1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 2179818596 BIZNZXDEFQJFAH-FXAWDEMLSA-N 469.470 4.318 50 10 JIGE CN(Cc1ccccc1)[C@H]1CCCCN(S(=O)(=O)c2ccc(CCBr)s2)C1 2179822122 SGGSCUPIIWLLNW-SFHVURJKSA-N 471.486 4.361 50 10 JIGE Cc1cc(C)c(S(=O)(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)cc1CBr 2179857612 BQSCCDNFNOQMCA-HXUWFJFHSA-N 451.430 4.093 50 10 JIGE CN(C[C@@H]1C[C@@H]1Br)S(=O)(=O)c1cc(CBr)c(Cl)cc1Cl 2196937468 WKSKLZHHZFOCGZ-IUCAKERBSA-N 466.022 4.292 50 10 JIGE C[C@@]12CC[C@@](CBr)(C1)N(C(=O)c1ccc(F)cc1I)C2 2199517403 TVTSLPRMSDUHNG-CABCVRRESA-N 452.105 4.210 50 10 JIGE O=S1(=O)CC[C@@H]([C@H](Br)c2cc(Br)c(Br)cc2F)C1 2218596629 HEENKXAEJURAFS-KBUNVGBDSA-N 464.976 4.221 50 10 JIGE O=C(N[C@@H]1C[C@H]2CC[C@H]1[C@@H](Br)C2)c1c(F)cccc1I 2282810103 OUSSHDDOCQKAQJ-AVWBDOJWSA-N 452.105 4.112 50 10 JIGE COc1ccc([C@H](Br)[C@H]2C[C@H](OC)[C@H](OC)C2)cc1I 2285007065 YTCRPMXPOWSJJD-HPEDKQMDSA-N 455.130 4.176 50 10 JIGE COc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1c(C)ccc(C)c1C 2314737698 KXCFOQOSHAWNHD-UHFFFAOYSA-N 474.513 4.421 50 10 JIGE O=C1c2ccccc2C(=O)N1CCc1nccn1-c1cc(Cl)c(F)cc1CBr 2315554465 FQRSETOARMPPMD-UHFFFAOYSA-N 462.706 4.398 50 10 JIGE O=S(=O)(Cc1ccccc1Br)N[C@@H](CCBr)COCc1ccccc1 2320392723 SWRNRXMYRXUCDT-KRWDZBQOSA-N 491.245 4.239 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@H]2CC[C@H]1C[C@@H]2Br 2337065342 GJJZHGGNFINCFQ-QRTLGDNMSA-N 498.984 4.442 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@H]2CC[C@H]1C[C@H]2Br 2337068391 AGSQKAMPIPADGZ-OUAUKWLOSA-N 498.984 4.442 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1CC[C@H](CBr)C12CC2 2340053745 DXQLXMWAESXACM-SECBINFHSA-N 454.533 4.334 50 10 JIGE Cc1ccc(O[C@@H](C)C(=O)NNC(=S)NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1C 10153868 FMDVKJYOAHRBPT-HNNXBMFYSA-N 498.432 4.259 50 10 JIGE CCCC(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(OC(C)C)c(Br)c2)cc1 14658832 MLUFJOJGEBAEKN-UHFFFAOYSA-N 462.344 4.050 50 10 JIGE O=C(/C=C/c1ccc(Cl)cc1)NC(=S)NNC(=O)COc1ccccc1-c1ccccc1 14833958 PJLLDVKEPCIMLL-NTCAYCPXSA-N 465.962 4.121 50 10 JIGE COc1ccc(COC(=O)N/N=C/c2cc(Br)cc(Br)c2O)cc1 59147577 AFWWFTJRRSDVSD-UFWORHAWSA-N 458.106 4.186 50 10 JIGE COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)c3ccc(-n4cncn4)cc3)c2C)cc1 96873019 VAAUGRVFJHFNCA-JVMBGAFUSA-N 466.545 4.468 50 10 JIGE BrCc1cc(Br)c(OC[C@@H]2C[C@@H]3COC[C@H]3O2)c(Br)c1 724603780 IWMSBSRNQTVGRO-GBIKHYSHSA-N 470.983 4.289 50 10 JIGE Cc1cc(C=NNC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)c(C)n1-c1ccccc1Cl 725415272 ZFRUDUAZTVHREI-UHFFFAOYSA-N 493.416 4.317 50 10 JIGE O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NN=Cc1ccc(Cl)cc1 1084133979 HMZOUGCYHJTWJB-UHFFFAOYSA-N 476.385 4.335 50 10 JIGE CCCOc1ccc(C=NNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 1084402964 YAZZWSBXURRHDO-UHFFFAOYSA-N 483.565 4.269 50 10 JIGE CC(=O)N[C@H](C(=O)NNc1ccccc1Cc1ccccc1)c1cccc(Br)c1 1165357090 NHFMHQWPERLMOI-QFIPXVFZSA-N 452.352 4.360 50 10 JIGE C#C[C@@H](NC(=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1)c1ccc(Cl)cc1 1683502569 POYKGIQDRRCATD-OAQYLSRUSA-N 451.885 4.377 50 10 JIGE COc1ccc(NC(=O)COc2cccnc2NC(=O)Nc2ccc(SC#N)cc2)c(OC)c1 1858829962 FUIMLRWWFPVFHP-UHFFFAOYSA-N 479.518 4.333 50 10 JIGE CCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1cc(Br)cc(OC)c1O)C(C#N)=C(N)O2 1865695249 AQPBKLPBXRXNSS-LJQANCHMSA-N 497.349 4.138 50 10 JIGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(C(=O)OC)cc1)C(C#N)=C(N)O2 1865709178 QCZZNIRINAXJGF-IBGZPJMESA-N 479.334 4.202 50 10 JIGE CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccc(OC(=O)c2ccc(F)cc2)cc1 1873794892 HRVINYNGJCEOLM-NQLRXCNRSA-N 471.529 4.434 50 10 JIGE CC1(C)C[C@H](Br)CN1C(=O)c1cc(I)ccc1Br 2037330118 YQPGPVGACGZSDV-QMMMGPOBSA-N 486.973 4.442 50 10 JIGE Cc1c(Cl)cc(C(=O)N2C[C@H](Br)[C@H](Br)C2)cc1Br 2075319490 TYUCBKQTXWEWEG-AOOOYVTPSA-N 460.391 4.394 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@H](Cl)C2(CCC2)C1 2108703441 YUSXJRXERPCWSQ-LBPRGKRZSA-N 454.533 4.287 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1C[C@@H]2CC[C@H](C1)C2Br 2111474205 WACCZUUMDOKISW-HWYHXSKPSA-N 454.533 4.190 50 10 JIGE C#CC[C@](C)(CBr)CNC(=O)c1ccc(Br)cc1Br 2140711450 AMXLPERDUPHBTK-CQSZACIVSA-N 451.984 4.366 50 10 JIGE O=C(c1cccc(F)c1I)N1CC[C@H](Br)C(F)(F)CC1 2150038606 HETUTEPEAXBVNS-JTQLQIEISA-N 462.047 4.065 50 10 JIGE C[C@@H]1CN(Cc2ccccc2)CCCN1S(=O)(=O)Cc1cccc(CBr)c1 2179773957 AVBJNIDLDNBKKT-GOSISDBHSA-N 451.430 4.008 50 10 JIGE FC(F)(F)c1cnc(N2CC3(CC(CBr)C3)C2)c(I)c1 2186550058 PBGXWTQUSMSGHO-UHFFFAOYSA-N 461.063 4.316 50 10 JIGE Cc1ccc(C(=O)N2CCC(C)(C)[C@H](CBr)C2)cc1I 2232838265 DESGGGZPLYAXPT-CYBMUJFWSA-N 450.158 4.483 50 10 JIGE CC1=C(C#N)C(=O)N(C[C@H](C)O)C(=O)C1=Cc1ccc(-c2ccc(Cl)c(C(=O)OCC(C)C)c2)o1 2297316799 IYKCCTPORPMFMZ-HNNXBMFYSA-N 496.947 4.386 50 10 JIGE O=C(c1cc(I)ccc1Br)N1[C@H]2CC[C@@H]1C[C@H]2CBr 2330469474 SMKHMBCOZUJWEC-PLMOITTCSA-N 498.984 4.442 50 10 JIGE COc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)cc1Cn1nc(C)cc1C 8829954 AMJAFTPFDLQNKT-OPEKNORGSA-N 461.349 4.393 50 10 JIGE N#C/C(=C/c1cc(Cl)cc(Cl)c1OCc1ccccc1)c1nn(CCO)c(N)c1C#N 33471744 FEDISYDPCFXLTN-PXNMLYILSA-N 454.317 4.279 50 10 JIGE N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1C#N)C(=O)NC[C@H]1CCCO1 33768981 FKENRAWSTGDPGJ-BYHQVZLYSA-N 466.335 4.102 50 10 JIGE CCOCCCNC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(I)cc2)c1C 34705682 RHOUBCJUQJWUMI-AQTBWJFISA-N 477.346 4.149 50 10 JIGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc([N+](=O)[O-])cc3)ccc2[C@H]1c1cccc(Cl)c1 38651189 VIVSZSBWBLGLAN-HSZRJFAPSA-N 477.860 4.451 50 10 JIGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)cc1 38700860 HRMSLHPJLCGQQV-DEOSSOPVSA-N 494.459 4.017 50 10 JIGE Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)oc2c1/C(=N/NC(=O)c1ccccc1)CCC2 40804007 PLDZXEWGFFKJHI-XHLNEMQHSA-N 474.536 4.160 50 10 JIGE N#C/C(C(=O)CSc1nc2sc3c(c2c(=O)[nH]1)CCCC3)=C1\Nc2ccccc2S1 103908367 DGDJHKNLKDFIKL-UNOMPAQXSA-N 452.586 4.478 50 10 JIGE CCCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)CCCOc2ccc(OC)cc2)c(OC)c1 207144063 PUHFRQLREBEULS-SILNSSARSA-N 466.534 4.292 50 10 JIGE CCCOO[C@@H]1[C@H](Sc2ccc(C)cc2)O[C@H](C(=O)OC)[C@H](OOCCC)[C@H]1OOCCC 261508192 QIJWYGJWRKDWCZ-RBRWEJTLSA-N 488.599 4.165 50 10 JIGE CN(CCCCBr)C(=O)c1cc(I)ccc1Br 385184983 YSWQEJSNGSOAHQ-UHFFFAOYSA-N 474.962 4.301 50 10 JIGE O=C(c1ccc(Br)cc1Br)N1CCSC[C@@H]1CBr 387892126 PQXDCOQWIKRUEZ-VIFPVBQESA-N 458.013 4.164 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N(CCCBr)C1CC1 404225910 PXVXKPVYARGTDL-UHFFFAOYSA-N 476.028 4.150 50 10 JIGE O=C(NNC(=O)N1CCC(Oc2ccc(F)cc2F)CC1)c1ccc(Br)cc1Cl 728956389 TZERPWXJMWMRSD-UHFFFAOYSA-N 488.716 4.279 50 10 JIGE CCOc1cc(C=NNC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)/C=C/c1ccccc1 1084305971 WVKOQUFKMMOCLB-GHCBWACXSA-N 459.458 4.376 50 10 JIGE CC(C)(C)c1ccc(C=NNC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 1084309245 PUNIAXJVQVSEHI-UHFFFAOYSA-N 462.015 4.189 50 10 JIGE C[C@@H](NC(=O)C(=O)NN=Cc1ccc(OCc2ccc(Br)cc2)cc1)c1ccccc1 1084526596 ZCVPVKAWDWRJSA-QGZVFWFLSA-N 480.362 4.356 50 10 JIGE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NNC(=O)c2cc3c(s2)CCCCC3)cc1 1476042091 ZNPXZPRQHASPFY-UHFFFAOYSA-N 452.580 4.298 50 10 JIGE Cc1c(C(=O)Nc2cccnc2)oc2c1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772748629 ZSEJVXFXXYJPMS-UHFFFAOYSA-N 480.340 4.225 50 10 JIGE CCN1CCc2c(sc(NC(=O)C(=O)Nc3ccc(SC#N)cc3)c2C(=O)OC(C)(C)C)C1 1860752688 LZQMXKJGIYGJAX-UHFFFAOYSA-N 486.619 4.232 50 10 JIGE CN(CCN(Cc1ccccc1)S(=O)(=O)[C@@H](CBr)C1CC1)Cc1ccccc1 1885377739 FNBRPWYYSMGYDQ-QFIPXVFZSA-N 465.457 4.124 50 10 JIGE Cc1nsc(Br)c1C(=O)N[C@@H](CCBr)COCc1ccccc1 1902797850 JHKYKUBZQVKEAL-ZDUSSCGKSA-N 462.207 4.314 50 10 JIGE O=C(NC[C@@H]1CCC2(CCC2)[C@H]1Br)c1sccc1I 1924793461 OSKJUVODAXTPLI-CABZTGNLSA-N 454.171 4.426 50 10 JIGE O=C[C@H](Cl)Cc1cc(Br)c(I)c(Br)c1 1931649293 CWPJEUCUAIJZPE-ZCFIWIBFSA-N 452.311 4.165 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CN(C(=O)OC(C)(C)C)[C@H]2CCC[C@H]12 1985351683 IZCVETCHIQBWEB-ZACQAIPSSA-N 461.694 4.270 50 10 JIGE CC(N)=C(C#N)C(=O)COC(=O)C=Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 2040422441 VLSPVMCKRSKVPY-UHFFFAOYSA-N 491.345 4.184 50 10 JIGE N#CC(=Cc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1nc(O)c2c3c(sc2n1)CCCC3 2053575449 YZUWWDZLRXJALT-UHFFFAOYSA-N 463.519 4.085 50 10 JIGE O=C(c1cc(Br)c(Br)s1)N1C[C@@H]2[C@@H](CBr)C[C@H]2C1 2053984404 PASNIFJXHPRTAM-GJMOJQLCSA-N 458.013 4.376 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CC[C@@H]2[C@@H](CBr)[C@@H]2C1 2093137010 HHFYOMJXFPWDDK-YUSALJHKSA-N 498.984 4.157 50 10 JIGE CCSC[C@@H](C)N(C)S(=O)(=O)c1cc(CBr)sc1Br 2123201244 ULSLOHAJMOLJCS-MRVPVSSYSA-N 451.271 4.168 50 10 JIGE CN(C1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)S(=O)(=O)[C@H]1CC[C@H](CBr)C1 2179828757 TZUYKYGYAUWBRA-JKMPKNINSA-N 455.462 4.007 50 10 JIGE O=C(c1ccc(F)cc1I)N1[C@H]2CC[C@@H]1C[C@@H](CBr)C2 2184575816 XAPUBFPKDWYPHD-WLLOZRIZSA-N 452.105 4.208 50 10 JIGE O=S(=O)(c1csc(CBr)c1)N1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 2226351811 YDKQXAMJFKYOSO-CALCHBBNSA-N 455.443 4.071 50 10 JIGE C[C@@H](Cl)c1nc2cncnc2n1-c1ccc(I)c(Br)c1 2235284074 OJSGAZNEYLNICH-SSDOTTSWSA-N 463.504 4.482 50 10 JIGE O=C(c1c(F)cccc1I)N1[C@H](CBr)C[C@H]2CCC[C@@H]21 2282780648 QIXRQIPNHJYLAJ-NRUUGDAUSA-N 452.105 4.208 50 10 JIGE COc1ccc(C=NNC(=O)C(=Cc2ccccc2)NC(=O)c2ccccc2Cl)c(OC)c1 2297321997 FMWVBWXOKVBCMR-UHFFFAOYSA-N 463.921 4.278 50 10 JIGE COc1ccccc1C(C#N)=Cc1ccc(OC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)cc1 2318356370 YGSBJIGVTASNGF-KRWDZBQOSA-N 452.466 4.349 50 10 JIGE Cn1nc(Br)c(Br)c1C(=O)NC1(CCBr)CCCCC1 2364007794 SPOUKKKBACIXHX-UHFFFAOYSA-N 472.019 4.163 50 10 JIGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)/C(C#N)=C/c1ccccc1 33392068 PCVDHYSUKOARHT-KMNNFWAFSA-N 467.481 4.414 50 10 JIGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3[N+](=O)[O-])ccc2[C@@H]1c1ccccc1Cl 38650986 PYYIPONIBRGLTI-QHCPKHFHSA-N 477.860 4.451 50 10 JIGE C=CCOc1c(Br)cc(/C=N/NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1OC 58892712 JTYNFGPECAMLJY-PXMCARDJSA-N 491.382 4.385 50 10 JIGE CCCOc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2cccc(OC)c2)cc1 254383882 NWRYMCOCTVKXAP-RRHNVJNFSA-N 457.530 4.405 50 10 JIGE Cc1cc(C=NNC(=O)COc2ccccc2[N+](=O)[O-])c(C)n1-c1sc2c(c1C(=O)O)CCCC2 254513347 IFCGMHNEBXIZBS-UHFFFAOYSA-N 496.545 4.170 50 10 JIGE COc1ccc(C=NNC(=O)CSc2nnc(SCc3ccc(C)cc3)s2)cc1OC 254554725 YSZNLMZQRAAUTG-UHFFFAOYSA-N 474.633 4.398 50 10 JIGE Cc1cc(C)c(C=NNC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)c(C)c1 254696328 NDACTTRFFQTOQQ-UHFFFAOYSA-N 456.575 4.497 50 10 JIGE O=C(NN=Cc1cccc2ccccc12)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254752062 KASIQVPMXWNASO-SZULKLODSA-N 463.493 4.490 50 10 JIGE CCn1c(SCC(=O)NN=Cc2ccccc2C(F)(F)F)nnc1-c1ccc(OC)c(OC)c1 254855957 KWNIQPQULFPSEX-UHFFFAOYSA-N 493.511 4.243 50 10 JIGE Cc1c(Br)cc(CCl)cc1S(=O)(=O)N1CCN(Cc2ccccc2)C[C@H]1C 382650673 YLTMMPVMEGCKHS-OAHLLOKOSA-N 471.848 4.391 50 10 JIGE C[C@@H]1CN(S(=O)(=O)c2ccc(CCl)cc2Br)CCN1Cc1ccccc1 396335624 JNANLRULEMFJBI-OAHLLOKOSA-N 457.821 4.083 50 10 JIGE CC[C@@H]1CN(C(=O)c2cc(I)ccc2Br)C[C@H]1Br 399975296 KTWREPZKHRUVTN-PRHODGIISA-N 486.973 4.299 50 10 JIGE CC1(C)C[C@H](Br)C[C@H](NC(=O)c2cc(I)ccc2O)C1 693891460 ISWHYRSEGMMKSM-KOLCDFICSA-N 452.130 4.069 50 10 JIGE N#CCCn1cc(/C=C(\C#N)C(=O)OCC(=O)N2CCC[C@@H]3CCCC[C@H]32)c(-c2ccccc2)n1 748916117 FQYUOKOZDAEXRC-YFNIEUGYSA-N 471.561 4.095 50 10 JIGE Cc1ccc(S(=O)(=O)N2CCC(C(=O)NN=Cc3cccc(OCc4ccccc4)c3)CC2)cc1 1084093546 CJPAJJHZXVEVQQ-UHFFFAOYSA-N 491.613 4.125 50 10 JIGE C#CC[C@]1(C(=O)NNc2ccc(Br)cc2Cl)CCCN1C(=O)OC(C)(C)C 1160441570 RFCBNVOBBLWUNJ-LJQANCHMSA-N 456.768 4.339 50 10 JIGE C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1 1449280393 YDYVJJAGXMCTFR-CQSZACIVSA-N 453.424 4.121 50 10 JIGE O=C(C=Cc1cc(C(F)(F)F)ccc1Cl)NNC(=O)c1cncn1-c1ccc(F)cc1 2042445682 HXNRFVVBRNSKIJ-UHFFFAOYSA-N 452.795 4.158 50 10 JIGE O=C(NCCC(F)(F)CBr)c1cc(Br)ccc1I 2064904037 UWUURHDDDSEJBV-UHFFFAOYSA-N 496.915 4.204 50 10 JIGE BrC[C@@]12CCC[C@@H]1CN(c1ncc(I)cc1Br)C2 2069535419 HKSKFASQHNDTPG-NOZJJQNGSA-N 485.989 4.450 50 10 JIGE CC(F)(F)C[C@H](CBr)NS(=O)(=O)c1cc(Cl)c(Br)s1 2113231081 OJXQSLOSNXUUEI-RXMQYKEDSA-N 461.575 4.251 50 10 JIGE C=C[C@@]1(CBr)COCCN1Cc1cccc(Br)c1Br 2135108352 MTTNGWPRRQQUOM-CQSZACIVSA-N 454.000 4.364 50 10 JIGE CN1CCC(N(Cc2ccccc2)S(=O)(=O)c2ccc(CCl)cc2Br)CC1 2152212462 AZSYMYJQOINZKF-UHFFFAOYSA-N 471.848 4.473 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N[C@@](C)(CCl)C(F)F)cc1Br 2161366123 IULBOSAGAWGSDQ-NSHDSACASA-N 455.546 4.061 50 10 JIGE O=C(c1cc(I)ccc1F)N1CC[C@@H](Br)CC12CCC2 2169886797 WWINWTBLZQIOBI-SNVBAGLBSA-N 452.105 4.353 50 10 JIGE Cc1cccc(C(=O)N(C)[C@@H](CCBr)C(F)(F)F)c1I 2178515831 PJYPGQXCIIRMSI-JTQLQIEISA-N 464.063 4.388 50 10 JIGE CN1CCC[C@@H](CO[C@@](C)(CI)c2ccccc2Br)C1 2236059107 AOMXHKJSMFTMPO-CJNGLKHVSA-N 452.174 4.458 50 10 JIGE COc1cccc(NC(=O)C(C#N)=Cc2c(Oc3ccccc3F)nc3ccccn3c2=O)c1 2314532246 HXLDNRGMJUPHCX-UHFFFAOYSA-N 456.433 4.180 50 10 JIGE CCOc1ccc(C=NNC(=O)c2cccn(Cc3cccc(Cl)c3)c2=O)c(OCC)c1 2323651983 BIHBQJSBNSIHAF-UHFFFAOYSA-N 453.926 4.111 50 10 JIGE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NN=Cc1ccc(OC(=O)c2ccccc2)cc1 2328827602 AWYHVOFVBFPJNV-DEOSSOPVSA-N 487.556 4.492 50 10 JIGE CC[C@@]1(C)[C@H](Br)CCN1S(=O)(=O)c1cc(Cl)c(Br)s1 2336754244 SIORMRJYPJOXRX-KCJUWKMLSA-N 451.633 4.491 50 10 JIGE Clc1ccc(CN2CCC(OCCBr)CC2)cc1I 2337221804 UAFRGGZHTCEFEL-UHFFFAOYSA-N 458.565 4.321 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1CC[C@H](Br)[C@H]1C1CC1 2340055968 BUZHOLZRTKLILT-WCQYABFASA-N 454.533 4.333 50 10 JIGE CC[C@@H](C)c1ccccc1O[C@H](C)C(=O)NNC(=O)COc1ccc(Br)cc1C 9873509 BFQQBDYBQGJKRM-GDBMZVCRSA-N 463.372 4.265 50 10 JIGE CCCOc1ccc(C(=O)NNC(=O)CCC(=O)Nc2ccc(C)cc2C)cc1Br 14647284 DGDFDYNNUDFYBH-UHFFFAOYSA-N 476.371 4.035 50 10 JIGE COc1ccc(/C=N/NC(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)cc1OCn1cccn1 20291442 LWHGBBRXKJMLTH-LQKURTRISA-N 487.491 4.084 50 10 JIGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc([N+](=O)[O-])cc2)cc1 38654644 JYOXBDGZDGATMI-QHCPKHFHSA-N 457.442 4.431 50 10 JIGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OC)c(Br)c2)cc1 58893816 NBFOUEZAIWJTQL-NVIPHDJISA-N 469.763 4.474 50 10 JIGE CCCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C(C#N)=C/c2ccccc2OC)c(OC)c1 207134369 YTWVJPFAZADZFM-MYTRHGCZSA-N 459.502 4.040 50 10 JIGE COc1cc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(N)=O)cc2OC)ccc1OCCC(C)C 207167628 MCGWOXICRXSDSB-AUIRIZQPSA-N 464.518 4.140 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N(CCBr)C1CCC1 228566190 HBXJXXMWAQGDGQ-UHFFFAOYSA-N 476.028 4.150 50 10 JIGE CCOc1cc(C=NNC(=O)COc2ccc(Cl)cc2)ccc1OC(=O)c1ccc(OC)cc1 252624362 PMIIFEUITZQCBL-UHFFFAOYSA-N 482.920 4.496 50 10 JIGE Cc1cccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)c1N 382713162 ILYPXQOEUAPGOT-FUHWJXTLSA-N 450.320 4.364 50 10 JIGE CCO[C@H](COC1(CI)CCN(C(=O)OC(C)(C)C)CC1)C1CC1 703479883 SXSBBYWZTNKUPW-OAHLLOKOSA-N 453.361 4.023 50 10 JIGE COCc1cc(Br)c([C@@H](Cl)c2cnn(C)c2I)s1 710919452 ROQJGUZNSZHREA-VIFPVBQESA-N 461.550 4.323 50 10 JIGE O=C(NC[C@@H]1CCCO1)[C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725237326 DCXAIHGNNXNNOY-YJBOKZPZSA-N 460.905 4.375 50 10 JIGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@H](c2ccc([N+](=O)[O-])c(F)c2)C1 725389788 XYTZTBQINQZSIA-NEPJUHHUSA-N 450.248 4.119 50 10 JIGE CC(C)(C)OC(=O)N1C[C@H](CI)[C@H](c2ccc([N+](=O)[O-])c(F)c2)C1 725389790 XYTZTBQINQZSIA-RYUDHWBXSA-N 450.248 4.119 50 10 JIGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(Br)c1O 725429771 XEKDEAXVWQSNQG-FQEVSTJZSA-N 461.356 4.246 50 10 JIGE CCOc1cc(/C=C(\C#N)C(=O)N(C)C)cc(Br)c1OCc1ccccc1C#N 1084154105 WRJGKXOBMAFHIS-GIJQJNRQSA-N 454.324 4.294 50 10 JIGE C#CCN1CCC[C@H](NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)C1 1471832867 KWFGMAVLESOKFS-WLJFKGHSSA-N 454.496 4.234 50 10 JIGE C#Cc1cccc(N(CC(=O)NC)C(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C)cc3)c2C)c1 1519568297 ZYQGOYOGYFMSHL-JLPGSUDCSA-N 450.542 4.070 50 10 JIGE Cc1ccccc1NC(=O)[C@H](C)Oc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1F 1858685222 IVCFKKGTDPVHQZ-AWEZNQCLSA-N 454.414 4.454 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2Cl)[C@@H]1c1ccc(O)c(O)c1 1865680685 RZIMJSMJKIQLGP-MRXNPFEDSA-N 462.815 4.233 50 10 JIGE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865710324 VJRDHNSNDYOJTF-NRFANRHFSA-N 493.907 4.045 50 10 JIGE CC(C)C[C@@H](C(=O)N[C@@H](CO)C(=O)Nc1ccc(SC#N)cc1)c1cccc(Br)c1 1867201670 HKKNYQPPASWBEP-UXHICEINSA-N 490.423 4.268 50 10 JIGE CC[C@@H]1CN(S(=O)(=O)c2cc(CCl)oc2Br)CCN1Cc1ccccc1 2095819924 MVBSBWXZHYZBGW-OAHLLOKOSA-N 461.809 4.066 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1CC[C@H](Br)[C@@H]2CC[C@@H]21 2133721214 BSLBZAPVAHKXBM-KWBADKCTSA-N 454.533 4.333 50 10 JIGE CC[C@@H]1CN(S(=O)(=O)Cc2ccc(CBr)cc2)CCN1Cc1ccccc1 2179789786 VUPVVACSKNTYDB-OAQYLSRUSA-N 451.430 4.008 50 10 JIGE C[C@H](NC(=O)c1cc(I)ccc1Br)c1nnc(CCl)s1 2192615396 KIYXBNCUFADEKO-LURJTMIESA-N 486.560 4.135 50 10 JIGE Fc1cc2c(cc1I)nc(CCl)n2Cc1conc1Br 2238727913 ZMKCMAZPZPMYPN-UHFFFAOYSA-N 470.467 4.318 50 10 JIGE COC(=O)c1cc(OC)c(OC)cc1NC=C(C#N)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2295937334 XYBIUEYDJFCKLY-UHFFFAOYSA-N 466.475 4.499 50 10 JIGE O=C(CCCCCN1C(=O)C(=Cc2cccs2)SC1=S)NNC(=O)c1ccc(F)cc1 2297554732 WANDQMKZYLKLDJ-UHFFFAOYSA-N 477.608 4.110 50 10 JIGE COCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)c(C)c2)C(C)=C(C#N)C1=O 2314619004 XZTZHFPQWJTAAO-UHFFFAOYSA-N 496.567 4.485 50 10 JIGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)C=Cc1ccc(Cl)c(Cl)c1 2314793678 XLNIPNRHJZVWSB-UHFFFAOYSA-N 487.339 4.387 50 10 JIGE C[C@H]1CCc2c(sc3ncn(CC(=O)N/N=C/c4cccc(OCc5ccccc5)c4)c(=O)c23)C1 1966605 OVANXRYBWAIAFB-GFJMHBJRSA-N 486.597 4.312 50 10 JIGE Cc1ccc(OCC(=O)NNC(=O)c2ccccc2OCc2ccccc2)c(Br)c1 14030784 GRHHDNAOTQEQJE-UHFFFAOYSA-N 469.335 4.177 50 10 JIGE CCOc1cc(/C=N/NC(=O)Cc2cccs2)ccc1OC(=O)c1ccc([N+](=O)[O-])c(C)c1 35402990 RXWVJFPVDHUUQK-ZVHZXABRSA-N 467.503 4.275 50 10 JIGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)cc1 38683506 VKWDBXXTBKTKQJ-OYLFLEFRSA-N 488.471 4.203 50 10 JIGE COC[C@@H](C)NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 40822520 NDQRRWACPZJYJX-LEYZRSIQSA-N 459.546 4.490 50 10 JIGE COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c1C 105285109 FSEVBEBEGLEDMP-LZAZYHHXSA-N 489.542 4.372 50 10 JIGE CC(=NNC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)c1ccc(C)cc1 252612410 ISOLERJHTYUFDM-UHFFFAOYSA-N 455.967 4.384 50 10 JIGE CCOc1cc(C=NNC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1OC 254627818 AJQBUILFYOZGDC-RFOQDLETSA-N 486.572 4.081 50 10 JIGE ClCc1cc(Br)c(I)cc1I 575687632 WQQBHGFQLTXJEC-UHFFFAOYSA-N 457.274 4.397 50 10 JIGE Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(-c3n[nH]c(C4CC4)n3)c2)c(C)n1C[C@@H]1CCCO1 726765949 HCAYGFRDLWQZET-JUTHHCEFSA-N 456.550 4.492 50 10 JIGE COc1ccc(C[C@@H](NC(=O)NNC(=O)c2cn(C)c3ccccc23)c2ccccc2)cc1OC 727473974 VLNIJFGDZDGPPU-JOCHJYFZSA-N 472.545 4.124 50 10 JIGE Cc1cc(C)n(CC(=O)OCC(=O)N(N=Cc2ccccc2)c2cccc(C(F)(F)F)c2)n1 753928942 DTOOHDOOVRINKE-UHFFFAOYSA-N 458.440 4.129 50 10 JIGE Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)c(C)n1-c1ccc(F)cc1 918641154 GBDHQNHKYKMTGL-JLPGSUDCSA-N 499.590 4.476 50 10 JIGE CC(=NNC(=O)COc1c(C)cc(Br)cc1Br)c1cccc(O)c1 1084054326 ZVHYGXBKILLARM-UHFFFAOYSA-N 456.134 4.145 50 10 JIGE CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1cc(Cl)c(O)c(OC)c1)C(C#N)=C(N)O2 1865706641 BMVHAZJKGXKZFR-LJQANCHMSA-N 454.889 4.219 50 10 JIGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@@H](c2ccccc2[N+](=O)[O-])C(C#N)=C(N)O3)cc1 1865710026 MXBVKBIEERSRLC-NRFANRHFSA-N 466.457 4.069 50 10 JIGE COc1ccc(OC)c(-c2csc(/C(C#N)=C(\O)CCN3C(=O)c4ccccc4C3=O)n2)c1 1873920359 FCLOQRAGEJAAIL-ZZEZOPTASA-N 461.499 4.306 50 10 JIGE Brc1cc(Br)cc(COCCOCCI)c1 1904664345 VPIQIGKRZKFXGT-UHFFFAOYSA-N 463.935 4.180 50 10 JIGE O=C(c1c(Br)cccc1Br)N1C[C@@H](Br)[C@H](Br)C1 1910009502 WUYPXUFGJMMJSR-RKDXNWHRSA-N 490.815 4.194 50 10 JIGE C[C@@H](CCBr)CCN(Cc1ccccc1)CC1(O)CN(C(=O)OC(C)(C)C)C1 1955943564 PLEUYDUYMGJOKQ-SFHVURJKSA-N 455.437 4.282 50 10 JIGE C[C@H](CCCl)C(=O)Nc1cc(I)cc(I)c1 1985794282 HWVURYUNIJZWAH-SSDOTTSWSA-N 463.484 4.099 50 10 JIGE CC(C)[C@H](CI)NCc1ccc(I)c(Cl)c1 1995482261 RRKSSHNTKAECNK-LBPRGKRZSA-N 463.528 4.494 50 10 JIGE CN1CCC[C@H]([C@@H](Br)c2cccc(Br)c2Br)S1(=O)=O 2092335580 OMAANGKCLVNAEP-PWSUYJOCSA-N 476.028 4.072 50 10 JIGE O=C(N[C@@H]1C[C@H]2C[C@H]1C[C@@H]2Br)c1cc(I)ccc1Br 2104410935 JJBDZZRJQDLXJY-BOOASOPXSA-N 498.984 4.346 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@@H]2C[C@H](C[C@@H]2Cl)C1 2107289289 IEVKFOKGCPLWJN-PTRXPTGYSA-N 454.533 4.143 50 10 JIGE O=C(NC[C@H](Br)CBr)c1ccc(Br)c(C(F)(F)F)c1 2116370083 XTJVEYGYDXPTQJ-SSDOTTSWSA-N 467.905 4.356 50 10 JIGE Cc1nc(-c2ncc(Br)cc2Br)nc(O)c1CCBr 2130813228 WRRDYTNJNZSALK-UHFFFAOYSA-N 451.944 4.015 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@H]2C[C@H]1CC[C@@H]2Cl 2142279681 SUXQNENGHBTDBE-UISBYWKRSA-N 454.533 4.286 50 10 JIGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1C[C@H]2C[C@H](Br)[C@H]1C2 2177184206 ONUCPZNOWFENBF-GEOGLEFRSA-N 464.006 4.302 50 10 JIGE CN([C@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)Cc1ccc(CBr)cc1 2179787394 NZHYKSWOUYELNN-NRFANRHFSA-N 451.430 4.008 50 10 JIGE CC[C@@H]1CN(C(=O)Cc2cc(Br)cc(Br)c2)C[C@@H]1Br 2277936870 POKDKRDLUJJLQK-MFKMUULPSA-N 454.000 4.386 50 10 JIGE O=C(c1c(F)cccc1I)N1[C@H](CBr)C[C@H]2CCC[C@H]21 2282780646 QIXRQIPNHJYLAJ-GBIKHYSHSA-N 452.105 4.208 50 10 JIGE COc1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(C)cc3)nc3ccccn3c2=O)cc1 2296543421 AHOBGUTWRDJAIV-UHFFFAOYSA-N 452.470 4.350 50 10 JIGE CCOc1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccccc3)nc3ccccn3c2=O)cc1 2296544481 MNBUDARCBGGKOQ-UHFFFAOYSA-N 452.470 4.431 50 10 JIGE CCCOc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cccc(OC)c2)cc1 2296734180 NWRYMCOCTVKXAP-UHFFFAOYSA-N 457.530 4.405 50 10 JIGE C=CCOc1ccc(C=C2C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1OC 2314617178 SDQCDPKTYYGFBX-UHFFFAOYSA-N 488.540 4.112 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CC[C@@H](Cl)[C@H]2CC[C@H]21 2333350358 SVTMHANUBGDAAD-IRUJWGPZSA-N 454.533 4.286 50 10 JIGE C=CC[C@@H](Cl)[C@@H]1CCN1C(=O)c1cc(I)ccc1Br 2335806240 KJQBTOQNELDIFN-OLZOCXBDSA-N 454.533 4.452 50 10 JIGE ClCCCN(c1ncc(I)cc1Br)C1CCOCC1 2353067174 UTZPQUNWDHFGEL-UHFFFAOYSA-N 459.553 4.063 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1[C@H]2CC[C@H](C2)[C@@H]1CBr 2355775890 QJAAFAOQDGIWNV-QRTLGDNMSA-N 488.039 4.148 50 10 JIGE Cc1ccc(Br)c(C(=O)NCC(F)(F)C(F)(F)CI)c1 2361684190 LHJIVFSWLRZWDG-UHFFFAOYSA-N 468.026 4.193 50 10 JIGE COc1c(Br)cc(Br)cc1/C=N/NC(=O)c1cncc(Br)c1 1234817 NHAYUEUBGLGLFI-KPSZGOFPSA-N 491.965 4.142 50 10 JIGE CCOCCOc1ccccc1C(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 9825666 NKLXYCCMPLIELF-UHFFFAOYSA-N 493.398 4.002 50 10 JIGE CCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc([C@@H](C)CC)cc1 14036246 FIZNYMLOTMVKMG-SFHVURJKSA-N 471.623 4.484 50 10 JIGE Cc1ccccc1COC(=O)/C(C#N)=C/c1cn(CCC(N)=O)nc1-c1ccc(Br)cc1 29266210 CCHZJXJKDNOSPM-XDHOZWIPSA-N 493.361 4.147 50 10 JIGE O=C(NNc1ncnc(Nc2cccc(Cl)c2Cl)c1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] 40646708 HULDGNRZPPQTBZ-UHFFFAOYSA-N 464.225 4.100 50 10 JIGE CCN1CCN(C(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Cl)cc2Cl)CCC3)CC1 40813709 BYPKROXTZCGXEV-NLRVBDNBSA-N 477.392 4.143 50 10 JIGE COC(=O)c1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc(OC)c2)CCC3)cc1 40822408 UQJVCCCOHUBSRM-VFCFBJKWSA-N 475.501 4.106 50 10 JIGE Cc1c(C(=O)N2CCN(c3ccccc3)CC2)oc2c1/C(=N/NC(=O)c1cccs1)CCC2 40823657 IXYXEROMMNASCB-LGUFXXKBSA-N 462.575 4.082 50 10 JIGE O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1cccc(N2NC(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 109284067 YTSOOEVBOMTWSO-GJZGRUSLSA-N 479.751 4.364 50 10 JIGE Cc1sc(Br)cc1S(=O)(=O)N[C@](C)(CBr)c1ccccc1 134455310 RWIYJDHATXPPGX-CQSZACIVSA-N 453.221 4.408 50 10 JIGE COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)c2nc(-c3ccc(F)cc3)no2)c1C 212243270 YVSKVZGDXZOWKX-KJJXXWTESA-N 451.502 4.286 50 10 JIGE COc1ccc(-n2c(SCC(=O)NN=C(C)c3cccc(OC)c3)nc3ccccc3c2=O)cc1 254705655 LJHCXFAUFIIBGL-UHFFFAOYSA-N 488.569 4.035 50 10 JIGE CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(Cl)s2)cc1 254875700 FAPQHVGKZKWQHB-HRRIPSNZSA-N 452.967 4.389 50 10 JIGE COc1cccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)c1 382696419 BEIBZTZBBNMIQO-MJGOQNOKSA-N 451.304 4.482 50 10 JIGE C[C@@H](Br)[C@@H]1CCCN(S(=O)(=O)c2cc(Br)ccc2Br)C1 688939836 VLYLPNZVCGRUJZ-NXEZZACHSA-N 490.055 4.396 50 10 JIGE COc1cccc(CNC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)c1OC 914478152 CXCQRCRPSNAMDJ-UYRXBGFRSA-N 475.936 4.358 50 10 JIGE COc1ccc(Cl)cc1NC(=O)C(=O)NN=Cc1cc(C)n(-c2ccccc2Cl)c1C 1084078479 MZQFTFJZDMUSFZ-UHFFFAOYSA-N 459.333 4.498 50 10 JIGE COc1ccc(CC(=O)NN=Cc2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)cc1OC 1084136239 VUUTVEDYVHHYKI-UHFFFAOYSA-N 481.936 4.068 50 10 JIGE O=C(NN=C1C(=O)N(Cc2ccccc2Cl)c2ccccc21)c1cc(Br)ccc1O 1084401828 WSFSHNUHAQIXHX-UHFFFAOYSA-N 484.737 4.489 50 10 JIGE Cc1cc(N[C@@H](C)C(=O)N/N=C/c2c(O)ccc3ccccc23)ccc1I 1088664174 DSXPOSHYXKOUBQ-XMTZNVEYSA-N 473.314 4.409 50 10 JIGE C=C(Cl)CSc1nc(C)c(CC(=O)NNC(=O)c2cc3c(s2)CC[C@H](C)C3)s1 1540419393 JQRXJRTXBUNGBU-JTQLQIEISA-N 456.058 4.486 50 10 JIGE C/C(=C/C(=O)NNc1nc2ccccc2c(=O)n1CCCOC(C)C)c1cccc(Cl)c1 1617519707 VASXMUUTPZDLFH-VKAVYKQESA-N 454.958 4.412 50 10 JIGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc(Cl)c2)ccc1O 1865705664 BMAHLIBWCRBHLE-INIZCTEOSA-N 462.815 4.477 50 10 JIGE COc1ccc(-c2ccc(C(=O)NNC(=O)COc3ccc(Cl)cc3Cl)c(C)n2)cc1 1865756951 GJUNVHZXOAJZQJ-UHFFFAOYSA-N 460.317 4.212 50 10 JIGE N#C/C(=C(/O)CCN1C(=O)c2ccccc2C1=O)c1nc(-c2ccc3c(c2)OCCO3)cs1 1872751173 UWDNXIKRWRTFDD-ZPHPHTNESA-N 459.483 4.060 50 10 JIGE O=S(=O)(c1cc(Br)cc(CCl)c1F)N(Cc1ccccc1)[C@@H]1CCOC1 1915471680 ODYODBUPBUKGQS-MRXNPFEDSA-N 462.768 4.307 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1C[C@H](Br)CC2(CC2)C1 1926030307 PBFODWKAPBILDN-SECBINFHSA-N 454.533 4.334 50 10 JIGE O=C(N[C@@H](CBr)C[C@@H]1CCCO1)c1cc(Br)cc(Br)c1 1926739643 DOWSQVVXMCFEQT-OLZOCXBDSA-N 469.999 4.274 50 10 JIGE O=C(c1cc(Br)sc1Br)N1[C@H](CBr)C[C@H]2OCC[C@@H]21 2090530738 MRSDXRLRPTYSHA-CNUIFLNQSA-N 474.012 4.040 50 10 JIGE C[C@@H]1C[C@@H](CBr)CN1S(=O)(=O)c1cc(Br)ccc1Br 2100319081 UKMQGFJKHYKQLZ-BDAKNGLRSA-N 476.028 4.006 50 10 JIGE O=C(N[C@@H]1C[C@H](CCl)[C@@H]2C[C@H]12)c1ccc(I)c(Br)c1 2110544796 ZPVXUNBQXUXRCD-KEPMVKOISA-N 454.533 4.047 50 10 JIGE Cc1cc(S(=O)(=O)N2C[C@H](C)N(Cc3ccccc3)C[C@H]2C)sc1CBr 2123242901 CCTSXRBITADOFS-JKSUJKDBSA-N 457.459 4.235 50 10 JIGE O=C(NC[C@@]1(CBr)CC12CCC2)c1ccc(F)cc1I 2154199128 FFNSUZLKNYHIGY-HNNXBMFYSA-N 452.105 4.115 50 10 JIGE O=C(c1csc(Br)c1Br)N1CCC2(CC1)C[C@H](Br)CO2 2173173410 QVOQGMPKHCCHSC-QMMMGPOBSA-N 488.039 4.432 50 10 JIGE C[C@H](Br)[C@@H](NS(=O)(=O)c1ccc(Br)cc1Cl)C(F)(F)F 2195319866 MPMYVRLXLKHQPV-SSDLBLMSSA-N 459.509 4.095 50 10 JIGE CC(C)[S@](=O)(=NCCCCCI)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2214709789 UFCWDYNIVCUBGA-OYLFLEFRSA-N 472.433 4.478 50 10 JIGE CN(C[C@H](Br)COCc1ccccc1)S(=O)(=O)Cc1cccc(Br)c1 2218987956 SDARKIOCTFLMDI-SFHVURJKSA-N 491.245 4.191 50 10 JIGE CCN(C[C@@](C)(CI)OCC12CC(C(F)F)(CO1)C2)C(=O)OC(C)(C)C 2266241476 VEJKZCONGXPIKS-WWDZGPRUSA-N 489.341 4.268 50 10 JIGE CS(=O)(=O)[C@H]1C[C@H]([C@H](Br)Cc2cc(Br)cc(Br)c2)C1 2277957106 SKJLHOOXXIAHFG-OASPWFOLSA-N 475.040 4.341 50 10 JIGE COc1ccc(N2C(=O)[C@@H](Cc3ccccc3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314593025 GBRBLPCRMQRSAA-JOCHJYFZSA-N 459.527 4.031 50 10 JIGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccc(OC(=O)c2ccccc2)cc1 2328821142 PCALXJUJJGJUNB-UWJYYQICSA-N 453.539 4.295 50 10 JIGE Cn1cc(I)c(CC(CBr)(CBr)c2ccccc2)n1 2341841287 OMZVKMGSGBPOTM-UHFFFAOYSA-N 498.000 4.295 50 10 JIGE CO[C@]1(C(F)F)C[C@H](COC2(CI)CCN(C(=O)OC(C)(C)C)CC2)C1 2343105314 SQLAXHIFUBQZKZ-QGGXVJLZSA-N 489.341 4.268 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@H]2CC[C@H]1[C@H](Cl)C2 2349954343 FOMLBXANQBUTEJ-KDDOJWQBSA-N 454.533 4.286 50 10 JIGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NCC[C@@H]1CCCC[C@@H]1Br 2364191062 SOAMIQUQLLLTAI-PXNSSMCTSA-N 499.471 4.106 50 10 JIGE Clc1ccc(CN2CCC3(CC2)C[C@@H](Br)CO3)c(I)c1 2366714431 IPSDDUJVNRXUOS-GFCCVEGCSA-N 470.576 4.463 50 10 JIGE CCc1cc2c3c(c1)[C@@]1(C(=O)N3C(C)(C)C[C@@]2(C)c2ccccc2)C(C#N)=C(N)Oc2[nH]nc(C)c21 2444441 GIEQNIXMXWDHTL-URLMMPGGSA-N 479.584 4.488 50 10 JIGE CCc1ccc(O[C@@H](C)C(=O)NNC(=O)COc2ccc(C(C)C)cc2Br)cc1 14039934 FIUYBXHHSMCYSM-HNNXBMFYSA-N 463.372 4.129 50 10 JIGE Cc1ccc(OCC(=O)NNC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1 14642177 VCLDSKSXJSFCQK-UHFFFAOYSA-N 469.335 4.030 50 10 JIGE COc1ccc(/C(C#N)=C\c2cccc(OC(=O)CCN3C(=O)c4ccccc4C3=O)c2)cc1OC 31902950 KKZBSHVDBWHLGW-ZHZULCJRSA-N 482.492 4.360 50 10 JIGE COc1cccc(NC(=O)/C(C#N)=C/c2c(Oc3ccc(F)cc3)nc3ccccn3c2=O)c1 39992967 KOJRXUBKTTXBFX-DTQAZKPQSA-N 456.433 4.180 50 10 JIGE CCCCc1ccc(Nc2ncnc(NNC(=O)c3ccc([N+](=O)[O-])cc3)c2[N+](=O)[O-])cc1 40581282 NOLOTUKXEOCELX-UHFFFAOYSA-N 451.443 4.136 50 10 JIGE COc1ccc(OC)c(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(O)cc2)CCC3)c1 40812011 WVFLXDRJSTVDDS-OVVQPSECSA-N 463.490 4.034 50 10 JIGE CCOc1ccccc1OCC(=O)Oc1ccc(/C=C(\C#N)C(=O)NCc2ccco2)cc1OCC 40929508 VMRYPTURVBYPJE-XSFVSMFZSA-N 490.512 4.285 50 10 JIGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C/Nc1ccc([N+](=O)[O-])cc1Br 101233559 RLWIVVIMWJOCPH-QGOAFFKASA-N 481.306 4.105 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1CCCC[C@H]1CBr 125232606 OKCKLACNQOBCJF-JTQLQIEISA-N 476.028 4.150 50 10 JIGE COc1cc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(N)=O)cc2OC)ccc1OCCC(C)C 207167674 MCGWOXICRXSDSB-WAYKPHQQSA-N 464.518 4.140 50 10 JIGE CC[C@H](C)[C@H](COC1(CI)CCN(C(=O)OC(C)(C)C)CC1)OC 384672467 DGXMVTXJJVRHDY-GJZGRUSLSA-N 455.377 4.269 50 10 JIGE O=C(CBr)c1cc(OC(F)F)c(I)cc1Br 575682236 LMSHWIUAOGRYPI-UHFFFAOYSA-N 469.845 4.233 50 10 JIGE O=C(O)c1ccc(C=NNC(=O)c2ccc(OCc3ccc(Br)cc3)cc2)cc1 1081093846 UMCNCIUKKHWSDJ-UHFFFAOYSA-N 453.292 4.490 50 10 JIGE N#C/C(=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nn(CCO)c(N)c1C#N 1084346776 DVPOQCABFVJBJW-GDNBJRDFSA-N 454.317 4.279 50 10 JIGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccc(C(=O)O)cc1 1084393629 UJIZTBLRAYUEIU-JJIBRWJFSA-N 497.551 4.228 50 10 JIGE COc1cccc(C(=O)Nc2ccccc2C(=O)NN=Cc2cc(Br)ccc2O)c1 1084444597 OQRVNWIATSSZQQ-UHFFFAOYSA-N 468.307 4.180 50 10 JIGE C=C[C@@H](C)ONC(=O)NNc1c(Br)cc(Br)cc1Br 1683735646 NWHJOIQAVMGZRR-ZCFIWIBFSA-N 457.948 4.106 50 10 JIGE CCOC(=O)c1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)COc1ccccc1)CCC2 1772749501 MBSDUCHORLCRHQ-UHFFFAOYSA-N 489.528 4.253 50 10 JIGE N#CSc1ccc(NC(=O)CCC(=O)Nc2cc(C(=O)OCc3ccccc3)ccn2)cc1 1858762097 GGASIJFTMPJNQS-UHFFFAOYSA-N 460.515 4.369 50 10 JIGE CSCC[C@@H](NC(=O)Cc1cc(-c2ccccc2)on1)C(=O)Nc1ccc(SC#N)cc1 1866911274 GQOIITISMKNJMH-HXUWFJFHSA-N 466.588 4.334 50 10 JIGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CC(=O)N3CCc4ccccc4[C@@H]3C2)n1 1868278060 QZBXDYIEILIFKH-NRFANRHFSA-N 456.575 4.302 50 10 JIGE O=C1c2ccccc2C(=O)N1CCc1nccn1-c1cc(Br)ccc1CBr 1913031076 UKHFJFJZKNJFEQ-UHFFFAOYSA-N 489.167 4.368 50 10 JIGE O=C(Cc1ccccc1I)N[C@@H](CBr)CC1CCCC1 1926720261 GACXWWYKTRYBCL-CQSZACIVSA-N 450.158 4.294 50 10 JIGE CCOC(=O)Cc1ccc(CBr)c(I)c1C(F)(F)F 2055268058 PDBLNFWIHIUPRC-UHFFFAOYSA-N 451.020 4.311 50 10 JIGE COCCn1c(CBr)nnc1-c1cccc(Br)c1Br 2092336811 BQBFDAZTKSINRU-UHFFFAOYSA-N 453.960 4.011 50 10 JIGE Cc1csc(CBr)c1S(=O)(=O)N(C)Cc1cnn(Cc2ccccc2)c1 2123232335 PJDNRUWWAAZHDH-UHFFFAOYSA-N 454.415 4.017 50 10 JIGE CC(C)[C@@H]1CN(S(=O)(=O)c2ccsc2CBr)CCN1Cc1ccccc1 2123282830 MEKPFLPSJXJSOH-KRWDZBQOSA-N 457.459 4.174 50 10 JIGE Clc1ccc(I)c(CN2CCO[C@@H]3C[C@H](Br)C[C@@H]32)c1 2128865427 OINZQDZEMNAWQP-DDTOSNHZSA-N 456.549 4.071 50 10 JIGE Cc1sc(C)c(S(=O)(=O)N2CCSC[C@@H]2CCBr)c1Br 2143913525 GXPGJTKDDHSQNU-JTQLQIEISA-N 463.282 4.019 50 10 JIGE CC1(C)[C@H](CBr)OCCN1C(=O)c1ccc(Br)cc1Br 2159641550 WSBBXDXGPOTMOI-LBPRGKRZSA-N 469.999 4.226 50 10 JIGE CN(Cc1ccccc1)C1CN(S(=O)(=O)c2c(CBr)sc3ccccc23)C1 2179827925 KOBJUELGKUIUHI-UHFFFAOYSA-N 465.438 4.301 50 10 JIGE CCc1ccc(NS(=O)(=O)CCC(CCl)CCl)cc1I 2185106431 KTDSKIRCPBNNGE-UHFFFAOYSA-N 450.169 4.079 50 10 JIGE C=C[C@]1(CBr)COCCN1C(=O)c1cc(Br)ccc1Br 2199848663 NLVJBXITJAJALY-AWEZNQCLSA-N 467.983 4.004 50 10 JIGE O=C(NC[C@]12CCC[C@]1(CBr)C2)c1cc(I)ccc1F 2208035670 GSOBMEIBTXZUPN-HUUCEWRRSA-N 452.105 4.115 50 10 JIGE COc1ccc(Br)cc1S(=O)(=O)N(CCCBr)Cc1ccccc1 2214852196 SAKSXCKVDBOQHV-UHFFFAOYSA-N 477.218 4.434 50 10 JIGE CC(C)(C)OC(=O)Nc1ccc(C(=O)N[C@H]2C[C@H](Br)C2)cc1I 2245941024 ITZAMWVIDPWOGI-XYPYZODXSA-N 495.155 4.294 50 10 JIGE O=C(NC[C@@H]1CCC[C@H](CBr)C1)c1c(F)cccc1I 2282810540 WUWMFEXHFOPBJV-WDEREUQCSA-N 454.121 4.361 50 10 JIGE CCOc1ccc(NC(=O)C(C#N)=Cc2cc(I)c(OC)c([N+](=O)[O-])c2)cc1 2294168329 FBBSLEDORVZQNS-UHFFFAOYSA-N 493.257 4.152 50 10 JIGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(O)c(OC)c2)cc1 2297450827 VBVVMJTZOJZOPK-UHFFFAOYSA-N 486.572 4.168 50 10 JIGE COc1ccc(C=CC(=O)Oc2ccc(C=NNC(=O)COc3ccc(C)c(C)c3)cc2)cc1 2297498961 SPPXZQRALXLGOA-UHFFFAOYSA-N 458.514 4.460 50 10 JIGE COc1ccccc1C(C#N)=Cc1cccc(OC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)c1 2320510772 BZOJGGZNBQBCAP-QGZVFWFLSA-N 452.466 4.349 50 10 JIGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)Nc1ccc(CBr)cc1 2338853781 ZDVJJHNIQAUQQN-UHFFFAOYSA-N 479.396 4.180 50 10 JIGE Clc1ccc(CN2C[C@@H](CBr)OC3(CCC3)C2)cc1I 2362381817 YWVOEZBQKAGXHW-GFCCVEGCSA-N 470.576 4.463 50 10 JIGE ClC[C@@H]1N(Cc2ccc(I)c(Br)c2)CC12CCOCC2 2381045607 VCMBGPLILUZGJH-AWEZNQCLSA-N 470.576 4.274 50 10 JIGE O=C(N/N=C/c1cc(O)c(Br)cc1Br)c1ccc(Br)cc1 2896186 FVCJDHWBIIMTME-CNHKJKLMSA-N 476.950 4.444 50 10 JIGE CCOc1ccccc1/C=N/NC(=O)COc1c(C)cc(Br)cc1Br 12483149 UIJOYCQSZHSNJY-UFFVCSGVSA-N 470.161 4.448 50 10 JIGE CCOc1ccc(Oc2c(/C=N/NC(=O)Cn3nc(C)cc3C)c(C)nn2-c2ccccc2)cc1 13074681 QSBNEGJRPYMGMA-JVWAILMASA-N 472.549 4.335 50 10 JIGE CC[C@H](Nc1ccc(Br)cc1)C(=O)N/N=C/c1cc(Br)ccc1O 27498311 YBDXEXAYPNKWEY-VYXQJKENSA-N 455.150 4.258 50 10 JIGE N#C/C(=C/c1ccc(/C=C(\C#N)S(=O)(=O)c2ccccc2)cc1)S(=O)(=O)c1ccccc1 33384502 JIAWLSPZTAQNHI-REPVBDINSA-N 460.536 4.363 50 10 JIGE CCOc1ccccc1Nc1ncnc(NNC(=O)c2ccc(Br)cc2)c1[N+](=O)[O-] 40657924 LYCVQVGCPVRZTM-UHFFFAOYSA-N 473.287 4.047 50 10 JIGE COC(=O)c1ccccc1-c1ccc(/C(=C(\C#N)c2nc3ccccc3s2)N2NC(=O)CC2=N)o1 104505007 WIGQHIZEKMNWDV-DVFIPSBRSA-N 483.509 4.449 50 10 JIGE O=C(CSc1nnc(-c2ccc3ccccc3c2)n1-c1ccccc1)NNC(=O)C1CCC1 253572968 QVRFMPDTSSHXGL-UHFFFAOYSA-N 457.559 4.127 50 10 JIGE CC(/C=C(\NC(=O)c1ccccc1)C(=O)NN=Cc1ccc([N+](=O)[O-])cc1)=C\c1ccccc1 254306626 HZYYNLUGGRTLKP-YSGHYZOYSA-N 454.486 4.462 50 10 JIGE Cc1cccc(OCC(=O)NN=C2C(=O)N(CN3CCCC[C@H]3c3cccnc3)c3ccccc32)c1C 254393360 HLNVAEWPAOGSRT-DEOSSOPVSA-N 497.599 4.129 50 10 JIGE O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)NN=Cc1ccc2c3c(cccc13)CC2 254508596 RXDXDCAPJOODTB-UHFFFAOYSA-N 469.566 4.284 50 10 JIGE C[C@H](Br)c1cnnn1-c1ccc(I)c(Br)c1 309453576 RQPHILNBBHBSDR-LURJTMIESA-N 456.907 4.090 50 10 JIGE N#CCCn1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)N=c3cc[nH]cc3)c2)c(-c2ccccc2)n1 725717056 GDOPKCCFRLBNEY-JWGURIENSA-N 487.523 4.079 50 10 JIGE O=C(NNc1ccc(F)c(F)c1F)c1ccc(Br)cc1I 728715823 DYDRSGCMZQKLCZ-UHFFFAOYSA-N 471.014 4.228 50 10 JIGE COc1cccc(C(=O)COC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)c1 782090367 KOOWCWVJSYRHDN-XDHOZWIPSA-N 474.904 4.459 50 10 JIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3C)ccc1OCCc1ccccc1 1865687839 BJBSKQMGDAWIGB-LJQANCHMSA-N 470.451 4.287 50 10 JIGE CCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3C)cc1OC 1865690993 GUPSONAPQAMNFX-QGZVFWFLSA-N 461.360 4.151 50 10 JIGE CCC[C@H](NC(=O)CCSc1nnc(-c2ccccc2)n1C)C(=O)Nc1ccc(SC#N)cc1 1867074282 FBUGFYCGTPODID-FQEVSTJZSA-N 494.646 4.461 50 10 JIGE C[C@H](Br)[C@@H](NC(=O)c1cc(Cl)ccc1I)C(F)(F)F 1882650678 DSWLAGYHVFDIRX-SSDLBLMSSA-N 470.454 4.389 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CC[C@](F)(CBr)C1 1917142842 IVJBTOXPJFUVLY-LBPRGKRZSA-N 490.936 4.003 50 10 JIGE O=C(NC1CC(CCBr)C1)c1cc(I)ccc1Br 2030033245 OJPCHDDFWXCCIO-UHFFFAOYSA-N 486.973 4.347 50 10 JIGE CC[C@H](C)[C@@H](CI)NC(=O)c1cccc(C)c1I 2081235449 GDRRAYXSQUNHEJ-JOYOIKCWSA-N 471.120 4.179 50 10 JIGE CN(C[C@H]1C[C@@H](Br)C1)C(=O)c1ccc(Br)cc1I 2086148421 ACQCOQCWAWDAQH-WAAGHKOSSA-N 486.973 4.299 50 10 JIGE C[C@@H]1CCN(Cc2ccccc2)CCN1S(=O)(=O)c1ccc(Br)c(CCl)c1 2153289786 NOWSJBIYIPYYPJ-MRXNPFEDSA-N 471.848 4.473 50 10 JIGE Cc1csc(CBr)c1S(=O)(=O)N(C)CC1CCN(Cc2ccccc2)CC1 2179814476 CLAGIJJDZSOKGI-UHFFFAOYSA-N 471.486 4.484 50 10 JIGE O=C(NN=Cc1ccc2ccccc2c1)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2295483072 XGNVHZJZQZQELI-UHFFFAOYSA-N 463.493 4.490 50 10 JIGE Cc1cc(C)cc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)NCc2ccccc2)c1 2296543564 MRZSTSVBXQOGSF-UHFFFAOYSA-N 450.498 4.327 50 10 JIGE CO[C@]1(CBr)CCN(Cc2ccc(I)c(Br)c2)C1 2325221373 FXMLMSDNACWQHY-ZDUSSCGKSA-N 488.989 4.040 50 10 JIGE COC(=O)c1c(NC(=O)[C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)sc(C(C)=CC#N)c1C 2331560204 FXDFWZWEGWFOSD-WMZOPIPTSA-N 451.548 4.318 50 10 JIGE C[C@@H](Br)CN1CCCN(Cc2ccc(Cl)cc2I)CC1 2366737542 FRQOYVZUSLBUBU-GFCCVEGCSA-N 471.608 4.236 50 10 JIGE Cc1cc(OCC(=O)NC(=S)NNC(=O)c2ccc(-c3ccccc3)cc2)ccc1Br 12573372 MRVFRKAKJXFROP-UHFFFAOYSA-N 498.402 4.139 50 10 JIGE O=C(COc1cccc2ccccc12)NC(=S)NNC(=O)c1ccc(-c2ccccc2)cc1 12573942 OPUUGHRLRHCWMO-UHFFFAOYSA-N 455.539 4.221 50 10 JIGE CC[C@@H](Oc1ccccc1)C(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 14024572 QDFKPSSZFWLEQO-GOSISDBHSA-N 463.372 4.130 50 10 JIGE CCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc2ccccc2c1 14036160 YZITXZVCIKTMON-UHFFFAOYSA-N 465.575 4.123 50 10 JIGE CCCN(CCC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NC)c1 35520339 BZGGEBDZDVDLIZ-PGMHBOJBSA-N 491.617 4.003 50 10 JIGE COc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2)c(OC)c1 40927027 AEECEUBQCCIGJE-PBSFTAHRSA-N 458.470 4.139 50 10 JIGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)CCc2ccc(OC)c(OC)c2)c(OCC)c1 40995004 LNRVGKNGCVWSMX-CPNJWEJPSA-N 453.491 4.111 50 10 JIGE C#CCOc1c(I)cc(/C=N/NC(=O)c2cc3ccccc3o2)cc1OCC 59304091 WRQKVCVHCYZQAY-YDZHTSKRSA-N 488.281 4.212 50 10 JIGE O=C(NNC(=O)c1cc(Nc2ccccc2)nc2ccccc12)/C(O)=C\C(=O)c1ccccc1 100469470 UMHUFIPIOHEFJY-XQNSMLJCSA-N 452.470 4.064 50 10 JIGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)/C1=C/Nc1ccc([N+](=O)[O-])cc1Br 101233522 VFRRNOMPXHKKMY-LFIBNONCSA-N 459.300 4.195 50 10 JIGE CCOC(=O)C/C(C)=N\NC(=O)COc1ccc2cc(Br)ccc2c1Br 105466495 HVTJUVXQLWLADU-NHDPSOOVSA-N 486.160 4.189 50 10 JIGE Cc1ccc(CCl)cc1-n1cnc(I)c1I 380895188 RMEVELJJWYXMJE-UHFFFAOYSA-N 458.468 4.129 50 10 JIGE N#CCCn1cc(/C=C(/C#N)C(=O)OCCOc2c(C#N)cnc3ccccc23)c(-c2ccccc2)n1 726361996 DBSNTLHHGDBECD-QNGOZBTKSA-N 488.507 4.413 50 10 JIGE COc1ccc(Br)c(C(=O)NNC(=O)NCc2ccc(COc3ccccc3)cc2)c1 728746493 TXAYVLVFVKPORU-UHFFFAOYSA-N 484.350 4.181 50 10 JIGE Cc1cc(N[C@H](C)C(=O)N/N=C/c2c(O)ccc3ccccc23)ccc1I 1088664173 DSXPOSHYXKOUBQ-CHOFVFFHSA-N 473.314 4.409 50 10 JIGE COc1cc(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(C)cc2)c1O 1865696357 MEJRQUGZGATIBK-HXUWFJFHSA-N 481.350 4.243 50 10 JIGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(C(=O)OC)cc1)C(C#N)=C(N)O2 1865709705 ZUTYPXGLUVXXNV-HXUWFJFHSA-N 466.900 4.291 50 10 JIGE CCCSc1ccccc1C(=O)NNC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O 1865852206 PAEZUJZTOBWSFE-UHFFFAOYSA-N 478.599 4.088 50 10 JIGE CC[C@@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)Nc1ccc(SC#N)cc1 1866878001 QGANVHOZAPAIMW-UXHICEINSA-N 467.620 4.131 50 10 JIGE CSCC[C@H](NC(=O)Cc1ccc2nc(O)c(C)cc2c1)C(=O)Nc1ccc(SC#N)cc1 1866916871 FPALYRNGOPZEJQ-NRFANRHFSA-N 480.615 4.241 50 10 JIGE O=C(CCc1nc2ccccc2[nH]c1=O)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1 1873496156 GJKSCTKADSBWOD-JFLMPSFJSA-N 460.921 4.238 50 10 JIGE CN(C[C@H]1C[C@@H](Br)C1)[C@@H](CN)c1c(Br)cccc1Br 1887892160 CKCYRFBRBRAADP-CWSCBRNRSA-N 455.032 4.317 50 10 JIGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)c1cc(O)cc(Br)c1 1916368895 DBAPNQNVRYOQQW-MRXNPFEDSA-N 457.162 4.207 50 10 JIGE ClCc1cnnn1-c1cc(Br)c(I)c(Br)c1 1938596111 KBQUGUFRDIEKQD-UHFFFAOYSA-N 477.325 4.136 50 10 JIGE Cc1c(C(=O)N(Cc2ccccc2)[C@@H](CBr)C2CC2)c(Br)nn1C 2014540418 CUNAFLYFIYCKFO-HNNXBMFYSA-N 455.194 4.307 50 10 JIGE COC[C@@](C)(CCBr)NC(=O)c1cc(Br)sc1Br 2040242674 BGCFNAVAGOVFEE-LLVKDONJSA-N 464.017 4.193 50 10 JIGE CCOC(=O)Cc1cc(CBr)cc(I)c1OC(F)(F)F 2055273255 TZSLKJFKDOZCCZ-UHFFFAOYSA-N 467.019 4.190 50 10 JIGE O=C(c1cccc(F)c1I)N1CC[C@@H]2C[C@H](Br)CC[C@@H]21 2143974316 OJSMSYYFVGTOKQ-BREBYQMCSA-N 452.105 4.208 50 10 JIGE O=C(c1cc(I)ccc1F)N1CCC2(CC1)C[C@@H]2CBr 2169664149 KZQHGHDUOLWCDK-SNVBAGLBSA-N 452.105 4.068 50 10 JIGE CN(Cc1ccccc1)C1CCN(S(=O)(=O)c2ccc(CBr)cc2F)CC1 2179778948 HTKQPZHIYVUDTD-UHFFFAOYSA-N 455.393 4.006 50 10 JIGE Cc1c(F)cc(CBr)cc1S(=O)(=O)N(C)[C@@H]1CC[C@@H]1OCc1ccccc1 2179858093 JVDKKNHBBSYGDU-MOPGFXCFSA-N 456.377 4.397 50 10 JIGE CC(C)([C@@H](Br)Cc1cc(Br)cc(Br)c1)S(C)(=O)=O 2263518620 HADAAJKQBJHPGV-NSHDSACASA-N 463.029 4.341 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)NC[C@H]1CC[C@@H](Br)C1 2277931647 HUQNCSFQQWXRGM-GXSJLCMTSA-N 454.000 4.434 50 10 JIGE CCOCCCN1C(=O)C(=Cc2ccc(-c3ccc(C(=O)OCC)cc3)o2)C(C)=C(C#N)C1=O 2314617993 FJNPGGCAWOOCNX-UHFFFAOYSA-N 462.502 4.142 50 10 JIGE COC(=O)C(C#N)=Cc1cccc(OC(=O)COc2ccc(Br)cc2Br)c1 2314755060 PPRLIRNVSZCNGU-UHFFFAOYSA-N 495.123 4.276 50 10 JIGE CCOc1c(C=NNC(=O)c2ccc3nc(Cc4ccc(OC)cc4)[nH]c3c2)cccc1OC 2323720547 HHZFOIRGWQIABF-UHFFFAOYSA-N 458.518 4.334 50 10 JIGE BrC[C@@H]1CCC2(CN(Cc3cc(Br)ccc3Br)C2)O1 2336704444 KPGICRXBQONGGV-LBPRGKRZSA-N 454.000 4.340 50 10 JIGE COc1ccc([C@@H](Br)[C@@H]2COC3(CCC3)CO2)cc1I 2364133463 DRVSOFQPKLISFE-UONOGXRCSA-N 453.114 4.074 50 10 JIGE O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)N/N=C/c1cc(Br)ccc1O 12580972 MJVFCPWWVUMTJG-ZVBGSRNCSA-N 459.127 4.331 50 10 JIGE Cc1cc(OCC(=O)NNC(=O)c2ccc(OCc3ccccc3)cc2)ccc1Br 14027887 LPFHUHPMIQHOON-UHFFFAOYSA-N 469.335 4.177 50 10 JIGE O=C(COc1ccc([N+](=O)[O-])cc1)N/N=C/c1cccc(OCc2cccc(Br)c2)c1 20436887 HDKALOHAECKWBS-ZMOGYAJESA-N 484.306 4.465 50 10 JIGE Cc1ccc(N/C=C(/C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(N)c1 216508118 CPWMYGIAXQYOQZ-GFMRDNFCSA-N 451.574 4.330 50 10 JIGE COc1ccccc1C=NNC(=O)c1ccc(NC(=O)c2ccccc2Br)cc1 252639357 YJZNEIPVEUICFN-UHFFFAOYSA-N 452.308 4.474 50 10 JIGE aggregator CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=C/C=C/c2ccc([N+](=O)[O-])cc2)cc1 254351009 USLSIEKCVGLZAW-PBTLEFRWSA-N 483.528 4.247 50 10 JIGE CCOc1ccc(C=NNC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)cc1OCC 254382108 VYXNPGPHGYNQAO-UHFFFAOYSA-N 476.558 4.073 50 10 JIGE COc1cc(C=NNC(=O)CSc2nnc(C)s2)ccc1OCCOc1ccc(C)c(C)c1 254734552 HSMYGKCUASFGGO-UHFFFAOYSA-N 486.619 4.172 50 10 JIGE CC(C)[C@@H](CBr)CNC(=O)c1cc(Br)ccc1I 394181447 QZATUACIHGLEFW-VIFPVBQESA-N 488.989 4.451 50 10 JIGE CC[C@@H](C)NC(=O)c1cccc(CNC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)c1 918596725 GOUCGMNGXPZXMS-VMTJQQBPSA-N 480.572 4.215 50 10 JIGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)cc1 1083951467 FNCRIFYITJGOPT-XMMPIXPASA-N 464.522 4.365 50 10 JIGE CCOc1cc(C=NNC(=O)C(=O)Nc2cccc(Cl)c2)ccc1OCc1ccccc1 1084151075 KYQPFJCLKJCRTL-UHFFFAOYSA-N 451.910 4.407 50 10 JIGE Cc1c(C(=O)N(C)Cc2ccccc2)oc2c1C(=NNC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 1772744698 HPYXRPDOYSFDND-UHFFFAOYSA-N 460.490 4.239 50 10 JIGE O=C(N[C@@H]1CCC[C@@H]1Br)c1ccc(Br)cc1I 2026216041 CWGARJUCZLJQGD-GXSJLCMTSA-N 472.946 4.100 50 10 JIGE CN(C)CCCN(Cc1ccccc1)S(=O)(=O)c1cc(CCl)sc1Br 2034728871 WPJBNTTVGPITTL-UHFFFAOYSA-N 465.866 4.392 50 10 JIGE O=C(c1cc(Br)ccc1Br)N1C[C@@H]2C[C@H](CBr)[C@@H]2C1 2117691613 WOJXYWPDROFSPU-PTRXPTGYSA-N 451.984 4.315 50 10 JIGE CC[C@H]1CN(C(=O)c2cc(I)ccc2Br)C[C@H]1CCl 2140769902 XYWVBWDQPMOCPL-VHSXEESVSA-N 456.549 4.391 50 10 JIGE O=S(=O)(c1cc(CBr)cs1)N1CCC2(CCN(Cc3ccccc3)CC2)C1 2179820450 YFGQKWFSVJVNRD-UHFFFAOYSA-N 469.470 4.320 50 10 JIGE BrCCCCCCn1cnc(I)c1I 2210037010 BGBCMFQGKKPEIK-UHFFFAOYSA-N 482.929 4.048 50 10 JIGE O=S(=O)(Cc1ncsc1Br)Nc1ccc(Cl)cc1CBr 2239641787 XHTBUSZQVBXLAC-UHFFFAOYSA-N 460.600 4.396 50 10 JIGE O=C(NC[C@H]1CC[C@@H](CBr)CO1)c1csc(Br)c1Br 2264717146 KEZPZWVWBQDRRO-JGVFFNPUSA-N 476.028 4.193 50 10 JIGE COc1ccc([C@H](Br)C2C[C@H](OC)[C@@H](OC)C2)cc1I 2285015148 YTCRPMXPOWSJJD-KKUMJFAQSA-N 455.130 4.176 50 10 JIGE Clc1ccc(I)c(CN2C[C@@H]3CC[C@@H](CBr)O[C@H]3C2)c1 2289171701 FKMVFEWJPWHHMI-XEGUGMAKSA-N 470.576 4.319 50 10 JIGE COCCn1c(C)cc(C=C(C#N)C(=O)Nc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)c1C 2297435391 PNNSFWRSTZBXJJ-UHFFFAOYSA-N 496.564 4.237 50 10 JIGE COc1ccc(N2C(=O)[C@@H](Cc3ccccc3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314592838 CSCCBVMKUOJPLK-XMMPIXPASA-N 469.566 4.438 50 10 JIGE COc1cccc(C=NNC(=O)COc2ccc3c(C)cc(=O)oc3c2)c1OCc1ccc(F)cc1 2328804098 GROSCMFRGTTYNX-UHFFFAOYSA-N 490.487 4.357 50 10 JIGE O=C(N[C@H]1C[C@@H]2C[C@H]1C[C@@H]2Br)c1ccc(Cl)c(I)c1 2334379761 KUIZOUVJXDKHLR-YVNDNENWSA-N 454.533 4.236 50 10 JIGE Cc1ccc(O[C@H](C)C(=O)NNC(=O)COc2ccc(Br)cc2C(C)(C)C)cc1C 10153390 KMYKPDHYHDNFQO-MRXNPFEDSA-N 477.399 4.357 50 10 JIGE COc1ccc(O[C@@H](C)C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 14006402 IIVDHNLPBDGEJR-SFHVURJKSA-N 489.572 4.474 50 10 JIGE CC(C)COc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCCc3ccccc3)cc2)cc1 14041912 FTNYCQZJKFNERK-UHFFFAOYSA-N 491.613 4.292 50 10 JIGE Cc1cccc2sc(Nc3ncnc(NNC(=O)c4ccc(Cl)cc4)c3[N+](=O)[O-])nc12 40650404 HLUMIABGFHPAFS-UHFFFAOYSA-N 455.887 4.457 50 10 JIGE Cc1c(C(=O)NC2CC(C)(C)NC(C)(C)C2)oc2c1/C(=N/NC(=O)Cc1ccccc1)CCC2 40815888 YKNLOVPHFAMJEP-ZTKZIYFRSA-N 464.610 4.026 50 10 JIGE COc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc(OC)c1OC 97729927 YMHKSJKOCPJGIX-VULFUBBASA-N 467.909 4.382 50 10 JIGE O=C(COc1ccccc1-c1ccccc1)NNC(=O)C1(c2ccc(Cl)cc2)CCOCC1 108934771 RYSKXQCULIJITN-UHFFFAOYSA-N 464.949 4.282 50 10 JIGE CCOc1cc(/C=N\NC(=O)c2cccn(CC)c2=O)ccc1OCc1ccccc1Cl 169918333 LFCLQQKHTCAXNU-YSMPRRRNSA-N 453.926 4.263 50 10 JIGE O=C(NC[C@H]1CCCC[C@@H]1CBr)c1ccc(F)cc1I 236284106 IEYHZEOLHLHKLF-GHMZBOCLSA-N 454.121 4.361 50 10 JIGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc4c(c3)OCO4)cc2OCC)cc1 254350588 LWDZBZOWUDVBNF-UHFFFAOYSA-N 476.485 4.196 50 10 JIGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc(C)c(C)c3)cc2)cc1OC 254583066 LJURVHAEVONTIR-UHFFFAOYSA-N 462.502 4.069 50 10 JIGE O=C(N[C@@H](CBr)C1CCC1)c1ccc(I)c(Br)c1 721604376 OUFHBPIPLAPWHZ-LBPRGKRZSA-N 486.973 4.347 50 10 JIGE C[C@@H]1CCc2sc(C(=O)NNC(=O)C3CCN(c4nc5ccccc5s4)CC3)cc2C1 727366205 ITYYWTZQHGJJNR-CQSZACIVSA-N 454.621 4.160 50 10 JIGE CN(CCCOc1ccc(F)cc1)C(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1 915200413 FBADCSPUZXNTOM-FXBPSFAMSA-N 457.509 4.437 50 10 JIGE COc1cc(OC)cc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)c1 1614811770 WZAOYTXACYYXMM-PXNSSMCTSA-N 481.330 4.491 50 10 JIGE Cc1nn(-c2cc(Oc3ccc(C[C@H](Cl)C(N)=O)cc3F)c(Cl)cc2F)c(=O)n1C(F)F 1615943885 JHWVCZGAHQFHDU-NSHDSACASA-N 493.244 4.097 50 10 JIGE C#C[C@H](NC(=O)NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1)c1ccc(F)cc1 1683498669 VETNEUFGJWYTEF-QFIPXVFZSA-N 451.885 4.377 50 10 JIGE Cc1c(C(=O)N2CCCCC2)oc2c1C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772743624 GZNXKEAWDFGULW-UHFFFAOYSA-N 458.356 4.447 50 10 JIGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)c(Cl)c2)cc1 1865705784 FWNPUWMHDILUGX-IBGZPJMESA-N 455.301 4.492 50 10 JIGE COCCOc1ccc(/C=C(\C#N)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1866213997 NDYBQCBTCZDGGY-CBEFOCLBSA-N 476.621 4.028 50 10 JIGE CN(C[C@H]1C[C@H](Br)C1)[C@H](CN)c1ccc(Br)c(Br)c1 1887901894 SWBXOEIZJJBPIV-GLXFQSAKSA-N 455.032 4.317 50 10 JIGE O=C(NC1CC([C@H](F)CBr)C1)c1ccc(Br)cc1Br 1906452701 GBAVYMVDXDFEHS-YHBRXECLSA-N 457.963 4.453 50 10 JIGE COC[C@@](C)(CCBr)NC(=O)c1scc(Br)c1Br 2040256644 MUBNKMGAZMNFJP-LLVKDONJSA-N 464.017 4.193 50 10 JIGE CCC(CC)(CBr)CN=[S@@](C)(=O)N1CCCN(C(=O)OC(C)(C)C)CC1 2107390172 JRSOSRZESCCNHR-AREMUKBSSA-N 454.475 4.143 50 10 JIGE C[C@@H](Cl)C[C@H]1CCCCCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2145936018 DAXFEXFHEKFXJE-QZTJIDSGSA-N 455.020 4.045 50 10 JIGE CN(C1CCC(NC(=O)OC(C)(C)C)CC1)S(=O)(=O)c1ccc(CBr)cc1 2163057896 GGBZDIBRKGJNMV-UHFFFAOYSA-N 461.422 4.038 50 10 JIGE CN([C@H]1CCCSCC1)S(=O)(=O)c1cc(CBr)sc1Br 2179785782 QPFSYADJLHYGLV-VIFPVBQESA-N 463.282 4.312 50 10 JIGE C[C@H]1CN(S(=O)(=O)Cc2ccc(CBr)cc2)[C@@H](C)CN1Cc1ccccc1 2179789385 PWGDKKJGKXIORQ-ROUUACIJSA-N 451.430 4.006 50 10 JIGE O=S(=O)(c1cc(CBr)sc1Br)N1CCS[C@@H]2CCC[C@H]21 2179790111 ZRYSBGRKOFPFRE-NXEZZACHSA-N 461.266 4.064 50 10 JIGE O=C(N[C@@H](CBr)[C@H]1CC=CCC1)c1cc(I)ccc1F 2196155771 KVVZBVMKWGNJJK-HZMBPMFUSA-N 452.105 4.280 50 10 JIGE COc1cc(C)c(Br)cc1[C@H](Br)c1nn(C)nc1Br 2226988503 ZOYYHFLZXYOXFS-JTQLQIEISA-N 453.960 4.141 50 10 JIGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1COCCO1 2259999284 NXYNJPXTIQRANC-APPZFPTMSA-N 450.899 4.341 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@@H](F)C[C@H](Br)C1 2277924682 DAPMSNIASSKUED-RYUDHWBXSA-N 457.963 4.088 50 10 JIGE O=C(NC[C@@H]1CC[C@H](CBr)CO1)c1cc(Br)ccc1Br 2279407533 LZUXQEPECSUFSQ-KOLCDFICSA-N 469.999 4.132 50 10 JIGE COc1cc(C=C(C#N)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCc1ccccc1F 2313738623 KWKNUWOWMCLXGO-UHFFFAOYSA-N 460.461 4.365 50 10 JIGE CC1(C)CO[C@@H](CBr)CN1Cc1ccc(Cl)cc1I 2341039712 AGPKYWXCVUWWQS-LBPRGKRZSA-N 458.565 4.319 50 10 JIGE CC(C)(C)OC(=O)N[C@@H]1CN(C[C@@]2(CBr)CC2(F)F)CC[C@H]1C(F)(F)F 2351885181 GBATXUYCEONRFY-GYSYKLTISA-N 451.274 4.184 50 10 JIGE Clc1ccc(I)cc1CN1C[C@H]2OCCC[C@@]2(CBr)C1 2380513619 UXMGRIQNIFVDEC-HUUCEWRRSA-N 470.576 4.321 50 10 JIGE COCCn1nc(Br)nc1C[C@H](Br)c1ccccc1Br 2382063117 BZKLWYJETQSURN-NSHDSACASA-N 467.987 4.128 50 10 JIGE COc1cc(/C=C(/C#N)c2ccccc2)ccc1OC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 31901851 AGTPCVKCRWLYFN-QNGOZBTKSA-N 462.527 4.229 50 10 JIGE Cc1c(C(=O)Nc2nccs2)oc2c1/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 40813463 ZDTMCGWXURLZOE-ZMOGYAJESA-N 473.898 4.329 50 10 JIGE COc1cc(/C=N\NC(=O)c2ccc3nc(N)sc3c2)ccc1OCc1ccccc1F 169916902 NQUNUVGGHLJSGK-ZRGSRPPYSA-N 450.495 4.369 50 10 JIGE O=S(=O)(NC[C@H]1CC[C@H](Br)C1)c1cc(Br)ccc1Br 227791616 DABHRRXYDUXEEL-IUCAKERBSA-N 476.028 4.054 50 10 JIGE O=S(=O)(NCC1CCC(Br)CC1)c1cc(Br)ccc1Br 227811046 DIPBXOMDZJTMOA-UHFFFAOYSA-N 490.055 4.444 50 10 JIGE COc1ccc(-c2cc(C(=O)NN=Cc3ccccc3OCc3ccccc3)[nH]n2)cc1OC 254730223 QKABDRDBGRHKEI-UHFFFAOYSA-N 456.502 4.437 50 10 JIGE O=C(NNC(=O)c1cccc2cccnc12)N[C@H](c1ccccc1)c1ccc2c(c1)CCCO2 730579953 CKGHURLCPGCSTP-XMMPIXPASA-N 452.514 4.293 50 10 JIGE COc1ccc(N([C@@H](C)C(=O)NN=Cc2cc(C)n(-c3ccc(C)c(C)c3)c2C)S(C)(=O)=O)cc1 1084214709 CJKMFNXQEXXKRW-NRFANRHFSA-N 496.633 4.024 50 10 JIGE CC(=O)N1CCN(C(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)[C@@H](C)C1 1516095376 BXOZHMLAOKIXRJ-VUQQOUJSSA-N 459.377 4.387 50 10 JIGE C#C[C@@H](NC(=O)NNC(=O)Nc1ccc(Cl)cc1Cl)c1ccc(Br)cc1 1682356386 GEUWEWYOJFVUES-CQSZACIVSA-N 456.127 4.466 50 10 JIGE N#CSc1ccc(NC(=O)[C@H](CO)NC(=O)C[C@H](c2ccccc2)c2cccc(F)c2)cc1 1866770664 BIGDSIRXYJBZOS-PKTZIBPZSA-N 463.534 4.037 50 10 JIGE CC[C@H](Br)CN(Cc1ccccc1)Cc1nn(C)cc1I 1890812408 YEGDUCGRMQAXPP-AWEZNQCLSA-N 462.173 4.200 50 10 JIGE O=C(c1scc(Br)c1Br)N1CC[C@@H]2[C@H](CBr)[C@H]2C1 2032236167 ZKOIEOBSQFNGMG-CSMHCCOUSA-N 458.013 4.376 50 10 JIGE O=S(=O)(CCC(CCl)CCl)Nc1cc(I)ccc1Cl 2104650032 UPSXOPIXBWXVAL-UHFFFAOYSA-N 456.560 4.170 50 10 JIGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1C[C@@H]2C[C@]2(CBr)C1 2146319623 GTOYAALDYXBHSS-MADCSZMMSA-N 464.006 4.161 50 10 JIGE O=S(=O)(C1CC(OCc2ccccc2)C1)N1CCC[C@]2(CBr)CCCC[C@H]12 2165236726 BBWCZNYSVLWHMN-JSRAGOMMSA-N 456.446 4.484 50 10 JIGE O=C(NC[C@]12CCC[C@]1(CBr)C2)c1ccc(F)cc1I 2208039613 MAVIBTNABPDAAF-HUUCEWRRSA-N 452.105 4.115 50 10 JIGE Cc1ccc(C(=O)N2[C@H]3CC[C@H]2[C@H](F)[C@@H](Br)C3)cc1I 2232838903 NHCFJYXDPUYBSP-AUZPSNTRSA-N 452.105 4.078 50 10 JIGE CCCCc1ccc(NC(=O)C(C#N)=Cc2ccc(OCCN3CCOCC3)c(OC)c2)cc1 2295669937 OEUHQMDWRFBVSI-UHFFFAOYSA-N 463.578 4.294 50 10 JIGE O=S(=O)(N[C@H](CCBr)COCc1ccccc1)c1ccc(Br)cc1 2303542937 JZRCEHBYEUANEB-MRXNPFEDSA-N 477.218 4.098 50 10 JIGE COc1ccc(C=NNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)cc1OCc1ccccc1 2328833141 JTURQQLZTWAVDI-QFIPXVFZSA-N 455.555 4.274 50 10 JIGE Cc1ccc(OCC(=O)N/N=C/c2c(C)c(Br)c(O)c(Br)c2O)cc1C 3659747 DFBGPOJUIVWUCX-QPSGOUHRSA-N 486.160 4.077 50 10 JIGE CC(C)c1ccc(OCC(=O)NNC(=O)COc2c(Cl)cc(Cl)cc2Br)cc1 9779600 ACYRZICHDKASAV-UHFFFAOYSA-N 490.181 4.485 50 10 JIGE COc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)C(=O)Nc3cccc(Cl)c3Cl)c2)cc1 13923307 FHUQBLQJNQWPNP-LGJNPRDNSA-N 486.311 4.310 50 10 JIGE Cc1cc(Br)cc(C)c1O[C@H](C)C(=O)NNC(=O)COc1ccc2ccccc2c1 14643074 YXCUXVBUSZUZJL-MRXNPFEDSA-N 471.351 4.213 50 10 JIGE CC(C)CCOc1ccc(C(=O)NNC(=S)NC(=O)c2cccc(OCCC(C)C)c2)cc1 14644973 WGKIESDBOBUTJO-UHFFFAOYSA-N 471.623 4.486 50 10 JIGE COc1cc(/C=N/NC(=O)c2ccc(OCc3cccc4ccccc34)cc2)ccc1OCC(N)=O 20228583 AWNLZCZQORYBMJ-OKCVXOCRSA-N 483.524 4.055 50 10 JIGE Cc1c(C(=O)Nc2ccccc2Br)oc2c1/C(=N/NC(=O)c1ccncc1)CCC2 40814015 JXTMXCLDEHCINM-YZSQISJMSA-N 467.323 4.468 50 10 JIGE COC(=O)c1ccc(N/C=C(/C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 216501409 KWVLILTWNABVCF-DAFNUICNSA-N 480.568 4.226 50 10 JIGE FC(F)c1ncc(I)c(CBr)c1I 238645823 JQMHXQYKRBPGAD-UHFFFAOYSA-N 473.824 4.123 50 10 JIGE O=C(O)COc1ccc(C=NNC(=O)COc2cc(Cl)cc(Cl)c2Cl)cc1Cl 252596004 CFGSWYVMMWKZQK-UHFFFAOYSA-N 466.104 4.293 50 10 JIGE O=C(NN=Cc1cccc(OCc2ccccc2)c1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 254309013 PGSWFCLJIHNDEE-UHFFFAOYSA-N 498.583 4.417 50 10 JIGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2ccc(O)cc2F)C1 382725664 PZUIDBCZZIIBED-WMLDXEAASA-N 455.267 4.319 50 10 JIGE FC(F)(F)Oc1ncc(Br)c(CBr)c1I 396181226 OBXNSTBFVDSNJL-UHFFFAOYSA-N 460.813 4.242 50 10 JIGE CC(C)NC(=O)NNC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc([N+](=O)[O-])cc1)CCC2 745139369 CZSVCHSNNKYFRI-SAPNQHFASA-N 459.506 4.372 50 10 JIGE C[C@@H](Oc1cccc2cccnc12)C(=O)NN=Cc1cc(Br)cc(Br)c1O 1084180118 JELODXVBFPGHAV-LLVKDONJSA-N 493.155 4.383 50 10 JIGE CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(N(CCCl)CCCl)cc3)C2=O)cc1 1084536201 NBENFISVIBSDQB-HKWRFOASSA-N 476.360 4.036 50 10 JIGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCC#N)c(Br)c2)cc1 1084624523 UIPGKYLERHUASD-LJQANCHMSA-N 494.773 4.367 50 10 JIGE COc1ccc(C(C)=NNC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)cc1 1084644000 XBPSZQMSOGOPSR-UHFFFAOYSA-N 485.993 4.469 50 10 JIGE C=C(C)CONC(=O)NNc1c(Br)cc(Br)cc1Br 1636606504 GXMFULNWUWKEOO-UHFFFAOYSA-N 457.948 4.108 50 10 JIGE COc1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772747771 UIZKUSBFFQIZNV-UHFFFAOYSA-N 476.489 4.156 50 10 JIGE COc1ccc(CCNC(=O)[C@H](Br)Cc2ccccc2Br)cc1OC 1858181683 YXFVKHONXGWDBQ-MRXNPFEDSA-N 471.189 4.131 50 10 JIGE COc1cc(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(C)cc2)c1O 1865696355 MEJRQUGZGATIBK-FQEVSTJZSA-N 481.350 4.243 50 10 JIGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2)c1OC 1865701595 YZNQZDHDLWEYLO-QGZVFWFLSA-N 456.424 4.186 50 10 JIGE N#CSc1ccc(NC(=O)[C@@H](NC(=O)c2cc(-c3ccncc3)[nH]n2)c2ccccc2)cc1 1867160462 AJJIVRSRYBPPIJ-QFIPXVFZSA-N 454.515 4.155 50 10 JIGE CCOC(=O)Cc1cc(I)c(Br)cc1CBr 2054977839 HSADUGFYRLQZFW-UHFFFAOYSA-N 461.919 4.054 50 10 JIGE CCc1cc(I)cc(I)c1C(=O)CBr 2060141432 MUFCEVKXBAHYOJ-UHFFFAOYSA-N 478.893 4.036 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CCC=C[C@@H]1CBr 2061975150 OMBPSLVADZQPIF-SNVBAGLBSA-N 484.957 4.219 50 10 JIGE CC1(C)[C@@H](Cl)C[C@H]1CNC(=O)c1cc(Br)ccc1I 2097953181 WZGFBZWEVQRJRT-UFBFGSQYSA-N 456.549 4.437 50 10 JIGE CCN(CC)CCN(Cc1ccccc1)S(=O)(=O)c1c(C)csc1CBr 2123243647 MLJLHBUDLWIAIF-UHFFFAOYSA-N 459.475 4.484 50 10 JIGE CO[C@@]1(CBr)CCCN(Cc2ccc(I)c(Cl)c2)C1 2142950799 UVBMPRDNKDJOAL-CQSZACIVSA-N 458.565 4.321 50 10 JIGE O=C(N[C@@H]1CCCC[C@@H]1CCBr)c1cc(I)ccc1O 2146718692 JLMQXJAQMFHIGC-ZWNOBZJWSA-N 452.130 4.070 50 10 JIGE C[C@H]1C[C@H](CBr)CCN1S(=O)(=O)c1cc(Br)ccc1Br 2172484426 CQPHQLXKPYUJDO-VHSXEESVSA-N 490.055 4.396 50 10 JIGE O=S(=O)(c1cc(CBr)ccc1Cl)N1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2179788063 XMIOITJDYKNIGA-HDICACEKSA-N 469.832 4.272 50 10 JIGE CN([C@@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@@H]21)S(=O)(=O)c1ccc(CBr)o1 2190546536 HJFJPXSJJNFSSK-DSLXNQLJSA-N 454.386 4.179 50 10 JIGE O=C(c1cc(Br)sc1Br)N1CCO[C@@H]2C[C@H](CBr)C[C@@H]21 2199763436 VAYXCCLOWPWZNQ-FKTZTGRPSA-N 488.039 4.288 50 10 JIGE Cc1ccc(C(=O)N2[C@H]3CC[C@H]2[C@@H](F)[C@H](Br)C3)cc1I 2232838906 NHCFJYXDPUYBSP-XCCSTKFXSA-N 452.105 4.078 50 10 JIGE C[C@@H]1CCN(C(=O)c2ccc(Cl)c(I)c2)C[C@@H]1CBr 2268346483 QUKXZZLOMIRTPG-KOLCDFICSA-N 456.549 4.438 50 10 JIGE CC1([C@H](CBr)NC(=O)Cc2cc(Br)cc(Br)c2)CC1 2277913838 BVTVJSWBECSATC-LBPRGKRZSA-N 454.000 4.434 50 10 JIGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)NCCCOC(C)C)c(C)c1 2314437003 YPJMFGOQYBZOMO-UHFFFAOYSA-N 474.561 4.250 50 10 JIGE COCCCN1C(=O)C(=Cc2cn(-c3ccc([N+](=O)[O-])cc3)nc2-c2ccccc2)C(C)=C(C#N)C1=O 2314618267 KIYYNABLTRZNSH-UHFFFAOYSA-N 497.511 4.076 50 10 JIGE N#CC(=C(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1nc(-c2ccc3c(c2)OCCO3)cs1 2331331836 XUEYSZIMRVMYQS-UHFFFAOYSA-N 452.404 4.348 50 10 JIGE CC(C)(C)OC(=O)N1C[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@@H]1C(=O)O 2333224432 OOPOXPCVFCABPQ-SIKLNZKXSA-N 469.654 4.026 50 10 JIGE Cn1cnc(Br)c1[C@@H](Br)c1ccc2c(c1Br)CCO2 2337317057 LBKXQLQUWOTJNH-NSHDSACASA-N 450.956 4.364 50 10 JIGE C[C@@H](Br)CC1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)[C@H]1C[C@H](OCc2ccccc2)C1 2367003105 WFIMBDYBAMTGFH-UAVIIPCSSA-N 456.446 4.481 50 10 JIGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2cn(C)c3ccccc23)cc1OC 2935213 HZNCMBHUSXAKSI-GFRAPMAXSA-N 482.540 4.117 50 10 JIGE Cc1ccc(O[C@@H](C)C(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Br)cc1C 10153153 FGQAEAIKNLUZMW-KBPBESRZSA-N 469.763 4.102 50 10 JIGE CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2Cl)cc1 14037213 HIZYJHPMTRQMSH-UHFFFAOYSA-N 484.405 4.133 50 10 JIGE COc1cc(/C=C(/C#N)C(=O)N[C@H]2CCCO2)cc(Br)c1OCc1ccccc1 33410989 JMGXVYISDLUKHD-PLMLNFJUSA-N 457.324 4.196 50 10 JIGE COc1ccc(C(=O)NNC(=O)c2ccc(N3CCc4cc5ccc(C)cc5nc43)cc2)cc1 39881552 BUGHMHISFXVZJN-UHFFFAOYSA-N 452.514 4.321 50 10 JIGE COc1cc(/C=N/NC(=O)COc2ccc(Br)cc2C(C)(C)C)cc(OC)c1OC 40841286 CRNOMEKCTYIAHZ-WYMPLXKRSA-N 479.371 4.302 50 10 JIGE O=C(c1csc(I)c1)N(CCBr)Cc1ccccc1 122414484 VLBOJBPCXWXMET-UHFFFAOYSA-N 450.139 4.390 50 10 JIGE Cc1c(C=NNC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)c2ccccc2n1C 254507264 IAIIJPSOCHQXAB-FQZLMYBLSA-N 479.584 4.474 50 10 JIGE CCN(CC)c1ccc(C=NNC(=O)CSc2cc(C)nc3ccc(OC)cc23)c(O)c1 254836669 RVGJRQJQYXVWMA-UHFFFAOYSA-N 452.580 4.346 50 10 JIGE C[C@H](CCBr)CCNS(=O)(=O)c1cc(Br)ccc1Br 397852545 ATZKGLQXIWQBDN-SECBINFHSA-N 478.044 4.301 50 10 JIGE N#CCCn1cc(/C=C(\C#N)C(=O)N2CCC[C@H](c3cc[nH]n3)C2)c(-c2ccc(Cl)cc2)n1 726529065 HIRWADIYHUNYCS-DYGKOUCMSA-N 459.941 4.153 50 10 JIGE Cc1ccc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)Nc3ccc(SC#N)cc3)cc2)cc1 1858665014 DYKNRPOFXDNNJP-UHFFFAOYSA-N 480.571 4.009 50 10 JIGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)cc(Br)c1O 1865688514 UGLWWNVXAXNZSK-IBGZPJMESA-N 467.323 4.266 50 10 JIGE CC[C@H](C)[C@H](C(=O)Nc1sc(/C(C)=C/C#N)c(C)c1C(=O)OC)N1C(=O)c2ccccc2C1=O 1873428014 ICDMIJKWHYCSOI-VACKQTAXSA-N 479.558 4.419 50 10 JIGE CN(C1(CBr)CCC1)S(=O)(=O)c1cc(Br)ccc1Br 1915005506 APFGGAJTIGLLFI-UHFFFAOYSA-N 476.028 4.150 50 10 JIGE BrCc1cnnn1-c1cc(Br)c(Br)c(Br)c1 1938596575 QCAAUYVWNMJJLJ-UHFFFAOYSA-N 474.776 4.450 50 10 JIGE CN(C[C@H](Br)COCc1ccccc1)C(=O)c1ncc(Br)cc1F 2002339848 QGNVKGKFWZOHEC-AWEZNQCLSA-N 460.141 4.036 50 10 JIGE CCOC(=O)Cc1c(I)ccc(CBr)c1Br 2054977948 ISWBHUVROZDVRH-UHFFFAOYSA-N 461.919 4.054 50 10 JIGE C[C@]1(CBr)C[C@H](NC(=O)c2ccc(Br)cc2I)C1 2086139191 LSIUTCUVDLYFLU-GMZHKTEUSA-N 486.973 4.347 50 10 JIGE CCN1CCC[C@H]([C@@H](Cl)c2csc(Br)c2Br)S1(=O)=O 2093943935 AZHOGZVPKVUGFW-SCZZXKLOSA-N 451.633 4.367 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1CC(F)(F)C[C@H]1CBr 2102793256 XUJKVQBLGJRWDL-QMMMGPOBSA-N 464.475 4.189 50 10 JIGE CN(C1(CBr)CC1)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2128184745 XMRGJHIUBVLSGP-UHFFFAOYSA-N 451.995 4.304 50 10 JIGE C#CC[C@](C)(CBr)CNC(=O)c1cc(Br)cc(Br)c1 2140715799 VMHUKLSFDBOSOT-CQSZACIVSA-N 451.984 4.366 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CC(F)(F)C[C@H]1CCl 2142284740 HEXMYTJRTONBPQ-QMMMGPOBSA-N 464.475 4.142 50 10 JIGE Cc1sc(CBr)cc1S(=O)(=O)N1C[C@@H]2CN(Cc3ccccc3)C[C@@]2(C)C1 2179820785 BYPBXMJBANMBFC-PXNSSMCTSA-N 469.470 4.094 50 10 JIGE O=S(=O)(c1ccsc1CBr)N1CCC[C@@]2(CCN(Cc3ccccc3)C2)C1 2179867724 AARAYPYUYYCQPM-FQEVSTJZSA-N 469.470 4.320 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CC(CCCBr)C1 2222966452 MRYRIODTCUXUJC-UHFFFAOYSA-N 486.973 4.301 50 10 JIGE Cc1cc(S(=O)(=O)N2C[C@@H]3CCC[C@H](C2)N3Cc2ccccc2)sc1CBr 2234714172 BGLOJWNXKRAFGT-HDICACEKSA-N 469.470 4.379 50 10 JIGE Cc1cc(I)ccc1NC=C(C#N)C(=O)Nc1ccc(N)cc1Cl 2325388126 ZDBZKGRMQCHLEK-UHFFFAOYSA-N 452.683 4.293 50 10 JIGE CC(C)[C@H](Br)C(C)(C)CN(C)C(=O)c1cc(I)sn1 2340360848 FPTPIGLEXJJCKV-NSHDSACASA-N 459.191 4.265 50 10 JIGE COc1cc(-c2cc(C(=O)NN=Cc3ccc(N(C)C)cc3)n[nH]2)ccc1OCc1ccccc1 2364177 XVDJUUCVDBSCKU-UHFFFAOYSA-N 469.545 4.494 50 10 JIGE CC[C@@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)C(c2ccccc2)c2ccccc2)cc1 10295310 VLYISDGVMNDZKS-GOSISDBHSA-N 461.587 4.332 50 10 JIGE CC[C@@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc([C@H](C)CC)cc2)cc1 10295985 LSJRRXDSXJMNHA-IAGOWNOFSA-N 457.596 4.092 50 10 JIGE O=C(NC(=S)NNC(=O)c1ccccc1Br)c1ccc(-c2ccccc2)cc1 14018097 MDZCVUYOOGSVCZ-UHFFFAOYSA-N 454.349 4.065 50 10 JIGE COc1ccc(/C(C#N)=C\c2cccc(OC(=O)[C@@H](C)N3C(=O)c4ccccc4C3=O)c2)cc1 31903171 VYCXNZQENJSEKB-LCJWNIEWSA-N 452.466 4.349 50 10 JIGE CC1(C)[C@H]2CC[C@@]1(C(=O)NNC(=O)COc1ccc(Cl)cc1Cl)c1nc3ccccc3nc12 101105506 ZLKQDEQUBOWCEL-BSEYFRJRSA-N 485.371 4.318 50 10 JIGE O=C(COc1ccccc1[N+](=O)[O-])NN=Cc1c(OC(=O)c2ccccc2)ccc2ccccc12 254607869 XQQRWCNWCMANKX-UHFFFAOYSA-N 469.453 4.496 50 10 JIGE CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=C/C=C\c2ccccc2[N+](=O)[O-])cc1 254739576 NVCOIDATNUUVPI-AIPBVOBLSA-N 483.528 4.247 50 10 JIGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccccc3OC)cc2)cc1 254870002 PBWPCHBRACKKMI-UHFFFAOYSA-N 489.528 4.182 50 10 JIGE Cc1ccc(N)c([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)c1 382700566 CGMDFWAOIXSQKH-AEFFLSMTSA-N 450.320 4.364 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CCSC[C@H]1CCCl 689278251 KTHIWVCVTQAJQE-SNVBAGLBSA-N 474.589 4.240 50 10 JIGE O=C(NC[C@@]1(CBr)CCCOC1)c1cc(Br)sc1Br 700890037 JAWLEBLSOCYWCR-LBPRGKRZSA-N 476.028 4.195 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CCCC[C@H]1CBr 721612974 JZFQOSMOYGDBIW-JTQLQIEISA-N 486.973 4.443 50 10 JIGE BrCc1cc(Br)cc(Br)c1OCCO[C@@H]1CCOC1 724965493 JLRAIPNLQMPCND-LLVKDONJSA-N 458.972 4.291 50 10 JIGE C[C@@H]1CCc2sc(C(=O)NNC(=O)N3CCC([C@H]4C(=O)Nc5cc(Cl)ccc54)CC3)cc2C1 727473742 RJFMGBIRGYVLRS-LRTDBIEQSA-N 487.025 4.329 50 10 JIGE C[C@H](COCC(F)(F)F)NC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1 742409453 DYMWVKFZCFVSON-BRYYZUPOSA-N 465.863 4.108 50 10 JIGE Cc1cc(C=NNC(=O)COc2cccc(N(C)C)c2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 1083922722 VSIYSGRTXQTHJJ-UHFFFAOYSA-N 468.941 4.041 50 10 JIGE COc1cccc(C(CSc2nc3ccccc3[nH]2)=NNC(=O)c2cccc([N+](=O)[O-])c2)c1 1084059068 KTDGFDIXJOOQDT-UHFFFAOYSA-N 461.503 4.406 50 10 JIGE C/C(=C/c1ccccc1Cl)C(=O)NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 1440584705 UZCGWUXNWKNWBQ-MSUUIHNZSA-N 457.921 4.452 50 10 JIGE CCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865705868 HWROABAAMYKWFI-IBGZPJMESA-N 453.861 4.413 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N/N=C/c1c(O)ccc2cc(Br)ccc12 1873794918 JDLSQYUDJIAEFM-FZJZADEZSA-N 462.344 4.158 50 10 JIGE Br[C@H]1C[C@@H]1CNc1cc(I)cc(I)c1 1893168262 SPOBXXSCSDTHQD-LDWIPMOCSA-N 477.909 4.091 50 10 JIGE Cc1cc(Br)c(C(=O)N2C[C@@H](Br)[C@H](Br)C2)cc1Cl 2075319285 LLZHPOCAHDTXRN-NXEZZACHSA-N 460.391 4.394 50 10 JIGE O=S1(=O)CCC([C@@H](Br)c2ccc(Br)cc2Br)CC1 2083318371 OYGLZEPKEDNCJV-GFCCVEGCSA-N 461.013 4.472 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@H]2C[C@@H](Br)[C@H]1C2 2086139150 LBRCWGXIRAPYRQ-HNBZJPLGSA-N 484.957 4.052 50 10 JIGE CCC[C@H](Br)CCNS(=O)(=O)c1cc(Br)ccc1Br 2090388434 SICNKVCABXJBTO-VIFPVBQESA-N 478.044 4.444 50 10 JIGE O=S(=O)(c1cc(CCl)oc1Br)N1CCCN(Cc2ccccc2)CCC1 2096284806 GCBLGFGMHWJBRC-UHFFFAOYSA-N 461.809 4.068 50 10 JIGE O=C(c1ccc(Br)cc1I)N1[C@H]2CC[C@H]1[C@@H](CCl)C2 2142282076 YXUPSSPQEDHYOL-DVYJOKAKSA-N 454.533 4.286 50 10 JIGE O=C(c1cc(Br)sc1Br)N1C[C@H](CBr)OC2(CCC2)C1 2165768878 RXXWOJKGYNTQJG-QMMMGPOBSA-N 488.039 4.432 50 10 JIGE Cn1nc(Br)c(COc2c(Br)cc(Br)cc2CCl)n1 2226984469 FYJKIHPBJFHJAS-UHFFFAOYSA-N 474.378 4.420 50 10 JIGE C[C@@H](NC(=O)c1ccc(Cl)c(I)c1)c1nnc(CBr)s1 2283667857 JLLHFQQDCAXDBC-ZCFIWIBFSA-N 486.560 4.182 50 10 JIGE COc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1cccc(Cl)c1 2314737551 VUDAGDVERQMWGL-UHFFFAOYSA-N 466.877 4.149 50 10 JIGE COC(=O)c1ccccc1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(OC)cc3)cs2)CC1=O 2331273392 KSPHXXYIVPJROQ-MRXNPFEDSA-N 475.526 4.451 50 10 JIGE Cn1cc(I)c(C[C@H](CBr)Cc2ccccc2Cl)n1 2341763599 WAJPFGXBGHPAHY-SNVBAGLBSA-N 453.549 4.474 50 10 JIGE CC[C@@H](C)c1ccccc1O[C@@H](C)C(=O)NNC(=O)COc1ccc(Br)c(C)c1 9873059 CIPZIFZGJKJRPS-ZBFHGGJFSA-N 463.372 4.265 50 10 JIGE CCCCOc1ccc(C(=O)NNC(=O)COc2ccc(Cl)c(C)c2)cc1Br 14041231 SQJZOQHXFPPARN-UHFFFAOYSA-N 469.763 4.430 50 10 JIGE Cc1cccc(C)c1OCC(=O)NNC(=O)c1cc(Br)ccc1OCCC(C)C 14650662 JFTIVXAVKHZMDQ-UHFFFAOYSA-N 463.372 4.331 50 10 JIGE Cn1c(-c2ccc(C(=O)NNC(=O)c3ccc(Br)cc3)s2)nc2ccccc21 35553864 UGOHSEWNPWDXHC-UHFFFAOYSA-N 455.337 4.139 50 10 JIGE COc1ccc2c(c1)/C(=N/NC(=O)CCCCCNC(=O)c1ccccc1Cl)C(=O)N2CC(C)C 38180391 DMXYDZVSSGGJKV-KRUMMXJUSA-N 499.011 4.162 50 10 JIGE Cc1sc2nc(SCC(=O)NN=Cc3ccccc3O)n(-c3ccccc3)c(=O)c2c1C 254875647 BQSAPPKYRQHUEH-UHFFFAOYSA-N 464.572 4.012 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1CCC[C@H](Br)CC1 378660924 BGMDCUVTMBYGQU-VIFPVBQESA-N 476.028 4.150 50 10 JIGE FC(F)(F)Oc1cnc(Br)c(I)c1CBr 396178134 HSLMVENKTSOBKB-UHFFFAOYSA-N 460.813 4.242 50 10 JIGE CCN(C[C@H](C)Br)C(=O)c1cc(I)ccc1Br 709405549 GFLUDACXKCFCCS-QMMMGPOBSA-N 474.962 4.299 50 10 JIGE CC(=O)[C@H](Br)[C@@H](C)c1cc(I)cc(I)c1 709822348 YQQQWWPYHYXOIL-UPONEAKYSA-N 492.920 4.352 50 10 JIGE NC1CCN(C(=O)[C@@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)CC1 725238727 WXEGBBAWAZSRBO-GOSISDBHSA-N 459.921 4.030 50 10 JIGE O=C(NCc1ccccc1-c1ccc(Cn2cccn2)cc1)NNC(=O)c1ccc(Cl)cc1 727227737 HIOLJDVWHFDDRO-UHFFFAOYSA-N 459.937 4.396 50 10 JIGE Cc1cc(/C=C(\C#N)C(=O)OCc2ccc(S(=O)(=O)N3CCCC3)o2)c(C)n1-c1ccc(F)cc1 915377157 AMLQTQATACGPRA-XSFVSMFZSA-N 497.548 4.261 50 10 JIGE CSc1ccc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 1083971802 BORMKURGWKWRIA-UHFFFAOYSA-N 467.616 4.058 50 10 JIGE COc1ccccc1/C(C#N)=C/c1cccc(OC(=O)CCN2C(=O)c3ccccc3C2=O)c1 1615067212 GZCUPAQGEJYLMQ-XDJHFCHBSA-N 452.466 4.351 50 10 JIGE C=CCOc1ccc(C(=O)NNC(=O)Nc2ccc(Br)cc2Cl)cc1OC 1625983777 SBCRJADZLQAYDZ-UHFFFAOYSA-N 454.708 4.142 50 10 JIGE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNc1ccc([N+](=O)[O-])cc1Br 1633603454 IBYUTDXCMWNUJW-OAHLLOKOSA-N 457.325 4.050 50 10 JIGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@@H](c2ccccc2C(=O)O)C(C#N)=C(N)O3)cc1 1865704471 WTHLHINIERMIBD-QHCPKHFHSA-N 494.507 4.473 50 10 JIGE O=S(=O)(N[C@H](CCBr)COCc1ccccc1)c1sccc1Br 1902777284 LVALBIVPVSLWHP-CYBMUJFWSA-N 483.247 4.159 50 10 JIGE O=S(=O)(N[C@H]1C[C@@H](CCBr)C1)c1cc(Br)ccc1Br 1906482569 YDBURIDJNZWHRE-WAAGHKOSSA-N 476.028 4.054 50 10 JIGE O=C(c1scc(Br)c1Br)N1C[C@H](Br)C[C@@]2(CCCO2)C1 1924217013 DIIXYGGOCSSSAC-OQPBUACISA-N 488.039 4.432 50 10 JIGE CC(C)(C)OC(=O)N1CCN(C[C@@H](CBr)C2CC2)CCN(C(=O)OC(C)(C)C)CC1 1966467261 WKSOIDBCEWUFHQ-GOSISDBHSA-N 490.483 4.197 50 10 JIGE C[C@H]1CC[C@@H](Br)CN1c1ncc(I)cc1Br 1988532015 AKZYRBHGZWOUGQ-JGVFFNPUSA-N 459.951 4.201 50 10 JIGE CC[C@H](NC(=O)c1ccc(Br)cc1I)[C@@H](C)Br 2026222068 SWMYFVDLPBTXIG-HQJQHLMTSA-N 474.962 4.346 50 10 JIGE BrCc1cc(Br)cc(Br)c1OC[C@H]1COCCCO1 2097725678 ARIJPOJUAWSYFS-LLVKDONJSA-N 458.972 4.291 50 10 JIGE O=C(c1cccc(Br)c1Br)N1C[C@@H]2C[C@H](C[C@H]2Br)C1 2107285715 ZSIJISSGVSIVAZ-VDDIYKPWSA-N 451.984 4.457 50 10 JIGE Cc1cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2(C)C)sc1CBr 2123243605 LUKPGBNXHBUZOV-UHFFFAOYSA-N 457.459 4.237 50 10 JIGE CC1(C)CN(Cc2ccccc2)CCN(S(=O)(=O)c2ccsc2CBr)C1 2123286321 LRSIMQXLIMEISF-UHFFFAOYSA-N 457.459 4.176 50 10 JIGE Brc1cccc(CN2CC[C@@]3(C[C@@H](Br)CO3)C2)c1Br 2137148579 NOTHAKLQTFDSHF-BXUZGUMPSA-N 454.000 4.340 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@H]2C[C@@H](Cl)C[C@H]2C1 2142278240 AIUYZZIWJLVQGE-DOFRTFSJSA-N 454.533 4.143 50 10 JIGE O=C(Cc1ccccc1I)N[C@H]1CCCC[C@@H]1CCBr 2146715904 RCOCWAKLQDFZNL-DOMZBBRYSA-N 450.158 4.294 50 10 JIGE O=C(N[C@@H]1CCCC[C@H]1CCBr)c1ccc(I)c(O)c1 2146717352 AZMOVLZRQGAMSP-GXFFZTMASA-N 452.130 4.070 50 10 JIGE CC1(C)C[C@@H](Br)CCN(C(=O)c2cc(I)ccc2F)C1 2169669150 XZXTTWZNHOQHTQ-JTQLQIEISA-N 454.121 4.456 50 10 JIGE C[C@H](Br)CN1CCCN(Cc2cc(Cl)ccc2I)CC1 2176830183 CKORJDPHNVHRIW-LBPRGKRZSA-N 471.608 4.236 50 10 JIGE C[C@H]1CCN(S(=O)(=O)c2cc(CBr)ccc2F)CCN1Cc1ccccc1 2179788278 AISRRYCJAFHUFP-INIZCTEOSA-N 455.393 4.006 50 10 JIGE O=C(c1cc(I)sn1)N1CCC(CBr)(CC(F)F)CC1 2188332644 IMSATQHEJWVAHO-UHFFFAOYSA-N 479.128 4.020 50 10 JIGE O=C(N[C@H](CBr)C[C@@H]1CCOC1)c1cc(Br)ccc1Br 2195493067 LOLHDOUZWQNANV-ONGXEEELSA-N 469.999 4.132 50 10 JIGE CS(=O)(=O)C1CC(COc2c(Br)cc(Br)cc2CBr)C1 2285309126 WVSGAHAYYAIAJI-UHFFFAOYSA-N 491.039 4.309 50 10 JIGE N#CC(=Cc1cccn1-c1ccc(Br)cc1)C1=NN(c2ccccc2)[C@@H](N)[C@@H]1C#N 2313545785 FOQXPDSDGJLLSQ-FYYLOGMGSA-N 457.335 4.448 50 10 JIGE CCOC(=O)C(C#N)=Cc1cccc(OC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)c1 2314760680 WCGRRQPKPBTZRN-UHFFFAOYSA-N 466.449 4.176 50 10 JIGE O=C(N[C@H]1C[C@@H](CBr)[C@@H]2C[C@H]12)c1ccc(Cl)c(I)c1 2334380197 YZBKZYNHWZUHLR-YVNDNENWSA-N 454.533 4.094 50 10 JIGE CC1(C)[C@@H](CBr)OCCN1Cc1ccc(Cl)c(I)c1 2337227473 LJOCYGWZGFJRHC-CYBMUJFWSA-N 458.565 4.319 50 10 JIGE Cc1ccccc1C(=O)Nc1ccccc1C(=O)N/N=C/c1cc(Br)ccc1O 3089769 PDDYZRGRHBMWBO-ZMOGYAJESA-N 452.308 4.479 50 10 JIGE Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)CNC(=O)C(c1ccccc1)c1ccccc1 3145880 GOPJKANEABZKFZ-OCSSWDANSA-N 485.975 4.233 50 10 JIGE Cn1cc(C(=O)NNC(=O)c2ccc(CNC(=O)C34CC5CC(CC(C5)C3)C4)cc2)c2ccccc21 24476587 YSOSYNVVFAPOOQ-UHFFFAOYSA-N 484.600 4.086 50 10 JIGE Cc1ccccc1C(=O)Nc1ccc(C(=O)N/N=C(/S)NC(=O)/C=C\c2cccs2)cc1 33780903 OLNJUYHUBJDHDK-SEYXRHQNSA-N 464.572 4.069 50 10 JIGE C[C@@H](Cl)C(=O)Nc1ccc(N(C)C)c(CN(C[C@H]2CCCO2)C(=O)c2cccs2)c1 34921678 MEYJCVXEVDORAJ-CRAIPNDOSA-N 450.004 4.201 50 10 JIGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)c1OC 38658893 SZWBTHFDFCRYMY-MYYSRTQBSA-N 490.487 4.434 50 10 JIGE COc1ccc(OC)c(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)COc2ccccc2)CCC3)c1 40815976 UCJYDBVRQIJKEI-TURZUDJPSA-N 477.517 4.093 50 10 JIGE Nn1c(SCCCC(=O)N/N=C/c2ccccc2Cl)nnc1-c1ccc(Br)cc1 58989365 HLCVTSKWJAFTIP-FSJBWODESA-N 493.818 4.097 50 10 JIGE Cc1sc(Br)cc1S(=O)(=O)N[C@@H]1c2ccccc2C[C@@H]1Br 137002187 GPCDTOSAZPHULJ-SMDDNHRTSA-N 451.205 4.158 50 10 JIGE COc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1cc(C)cc(C)c1C 206410744 PFLJBJJRAVEEEN-MTJSOVHGSA-N 474.513 4.421 50 10 JIGE N#C/C(=C/N1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)NC1CCCCCCCCCCC1 217260210 VHWJHTXDHPEQKB-FCQUAONHSA-N 486.682 4.190 50 10 JIGE C[C@H]1CN(C(=O)CCN2CCc3sccc3[C@H]2c2ccccc2)CCN1C(=O)C(C)(C)CCl 245328879 QMMRZULEQMFXOA-YADARESESA-N 488.097 4.410 50 10 JIGE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=C(C)c2cc(O)ccc2O)cc1 252602753 FKWXHTBRLBSUIZ-LJHBAOAYSA-N 486.572 4.255 50 10 JIGE O=C(NN=Cc1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1cccc2ccccc12 254756512 REFNBNKXUAXPCQ-UHFFFAOYSA-N 475.482 4.280 50 10 JIGE CN(Cc1ccccc1)C(=O)N1CCC(C(=O)NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 727484241 FZUFBXMRAUZGTE-UHFFFAOYSA-N 479.459 4.021 50 10 JIGE OB(O)[C@H]1CCN(c2nc(Cc3ccc(F)cc3)nc3scc(-c4ccc(F)cc4)c23)C1 864233201 HZNLSDOXQXUTII-INIZCTEOSA-N 451.307 4.280 50 10 JIGE COc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc([N+](=O)[O-])cc2)CCC3)cc1 1772745082 QFPMHHPBRWHIEU-UHFFFAOYSA-N 462.462 4.228 50 10 JIGE CCCn1nc(C)c2c1OC(N)=C(C#N)[C@@H]2c1cc(Br)c(OC(C)C)c(OC)c1 1865697521 VKXXLSLNJKAKSK-SFHVURJKSA-N 461.360 4.378 50 10 JIGE CC1CC(CBr)(NC(=O)c2ccc(I)c(Br)c2)C1 2045115362 PKDISOMEYHGDGW-UHFFFAOYSA-N 486.973 4.347 50 10 JIGE COc1ccc([C@@H](CI)OCCOCCOCc2ccccc2)cc1 2056733887 NEQYGSFMNOVRMT-HXUWFJFHSA-N 456.320 4.421 50 10 JIGE Cc1sc(Br)cc1S(=O)(=O)N[C@@H](C)CCCCCI 2117895125 PHNYHGRGXIWIFF-VIFPVBQESA-N 480.231 4.481 50 10 JIGE O=C(c1sccc1I)N1C[C@@]2(F)CCC[C@@]2(CBr)C1 2120127674 FXFYTRXWBHWXQE-OLZOCXBDSA-N 458.134 4.082 50 10 JIGE BrC[C@@H]1CO[C@@H]2CN(Cc3ccc(Br)cc3Br)C[C@H]12 2121594505 UEJPHCBIVJPGTC-MPKXVKKWSA-N 454.000 4.053 50 10 JIGE CN(C[C@@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(CBr)s1 2123243709 NIKFOVWMHPKZJN-KRWDZBQOSA-N 457.459 4.176 50 10 JIGE C[C@H](Br)C[C@H]1COCCN1C(=O)c1cc(Br)c(Br)s1 2128881882 VSPIVMKFCFSMJS-YUMQZZPRSA-N 476.028 4.288 50 10 JIGE O=C(c1ccc(F)cc1I)N1C[C@H]2[C@@H](Br)CCC[C@H]2C1 2150958666 OSSITVVCNBJPQK-BIMULSAOSA-N 452.105 4.066 50 10 JIGE CN(Cc1ccccc1)[C@H]1CCCCN(S(=O)(=O)c2cc(CCl)oc2Br)C1 2169154671 VMQRIPYCYYAPKT-INIZCTEOSA-N 475.836 4.456 50 10 JIGE O=S(=O)(c1ccc(CBr)cc1F)N(Cc1ccccc1)CC1CCOCC1 2179784882 FMXUWAQQBDNMKW-UHFFFAOYSA-N 456.377 4.338 50 10 JIGE CCN(CC)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(CBr)cc1F 2179789186 NJJVFKJMBLPKQC-UHFFFAOYSA-N 457.409 4.253 50 10 JIGE Cc1csc(CBr)c1S(=O)(=O)N1C[C@H]2CCN(Cc3ccccc3)C[C@@H]2C1 2179818092 VIFUSUJCDMMQSP-QZTJIDSGSA-N 469.470 4.094 50 10 JIGE COCCCCN(Cc1ccccc1)S(=O)(=O)c1cc(CBr)cc(F)c1F 2179858347 NJFLRMQQWSHKOA-UHFFFAOYSA-N 462.356 4.477 50 10 JIGE Cc1sc(C)c(S(=O)(=O)N[C@@H]([C@H](C)Br)C(F)(F)F)c1Br 2195324035 UXYKDFCEPDLCQQ-IGJIYHIXSA-N 459.147 4.120 50 10 JIGE C[C@@H](Cl)c1nc2cncnc2n1-c1ccc(Br)cc1I 2240000299 RGJNGRXVGQVLMP-SSDOTTSWSA-N 463.504 4.482 50 10 JIGE CN(C(=O)c1ccc(Cl)c(I)c1)[C@H](CCBr)C(F)F 2268358043 LFJQVGFQTYITMI-SNVBAGLBSA-N 466.491 4.435 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N1CCC(CBr)CC1 2277961683 XAPFHSHKCKAJQY-UHFFFAOYSA-N 454.000 4.388 50 10 JIGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1ncc(Br)cc1F 2303541051 VPPUEKPXQOSXGB-AWEZNQCLSA-N 460.141 4.083 50 10 JIGE Cc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1cccc(C(=O)O)c1 2313545808 HIIZMQJOWFPIFS-UHFFFAOYSA-N 454.530 4.048 50 10 JIGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)C(C#N)=Cc1ccc(OC)cc1 2314753774 FDCIIJQZVQYTEA-UHFFFAOYSA-N 497.507 4.423 50 10 JIGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)CCc2ccc(OC)c(OC)c2)c(OCC)c1 2314789597 LNRVGKNGCVWSMX-UHFFFAOYSA-N 453.491 4.111 50 10 JIGE Clc1ccc(CN2CCO[C@@H]3C[C@H](Br)C[C@@H]32)c(I)c1 2341045985 DTTYMOZRDGHPJX-DDTOSNHZSA-N 456.549 4.071 50 10 JIGE O=S(=O)(NCC(F)(F)C(F)(F)CBr)c1cc(Cl)c(Br)s1 2361687323 PZCMQFFJBBMJPE-UHFFFAOYSA-N 483.528 4.108 50 10 JIGE O=C(c1csc(Br)c1Br)N1CC2(CCOCC2)[C@@H]1CBr 2381035200 VPFVRMKMMXRPRO-VIFPVBQESA-N 488.039 4.289 50 10 JIGE Cc1cc(OCC(=O)NNC(=O)COc2c(Cl)cc(Cl)cc2Br)ccc1Cl 9779562 LGUZSZUVMWNKFE-UHFFFAOYSA-N 496.572 4.323 50 10 JIGE Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)c1 14038634 JMKAZWSZRVLOOE-FQEVSTJZSA-N 459.546 4.304 50 10 JIGE Cc1cc(OCC(=O)NNC(=O)c2ccc(OCCOc3ccccc3)cc2)cc(C)c1Cl 14039455 HLNNDYCQVVHQCO-UHFFFAOYSA-N 468.937 4.255 50 10 JIGE CCCCC(=O)Nc1ccc(C(=O)NNC(=O)c2ccccc2OCCOc2ccccc2)cc1 14040608 WEMIVHHOTQMAOE-UHFFFAOYSA-N 475.545 4.348 50 10 JIGE CCC(=O)Nc1ccc(C(=O)NNC(=O)c2cc(Br)ccc2OCCC(C)C)cc1 14650689 ACLXLZJFTIENIA-UHFFFAOYSA-N 476.371 4.297 50 10 JIGE NC(=O)Cn1cc(/C=N/NC(=O)COc2ccc(Cl)cc2C2CCCCC2)c(-c2ccccc2)n1 20530179 OMASRBKLFIKABG-IPPBACCNSA-N 493.995 4.266 50 10 JIGE CCc1ccc(Oc2ncnc(NNC(=O)c3ccccc3Br)c2[N+](=O)[O-])cc1 40658398 JMCKJPWMRZBZNH-UHFFFAOYSA-N 458.272 4.259 50 10 JIGE COCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccc([N+](=O)[O-])cc3)nc2-c2ccccc2)C1=O 101335629 KIYYNABLTRZNSH-HZHRSRAPSA-N 497.511 4.076 50 10 JIGE COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NCC2(c3cccc(F)c3)CCOCC2)c1C 108877186 HANGGTDIOZYIAJ-UUMRFZBWSA-N 453.558 4.223 50 10 JIGE CC(C)[C@@H](CBr)NC(=O)c1cc(I)ccc1Br 232726929 KIBJXNPSXXBGPW-LLVKDONJSA-N 474.962 4.203 50 10 JIGE CC(=NNC(=O)[C@@H](C)Oc1ccccc1[N+](=O)[O-])c1cccc(NC(=O)c2ccc(C)o2)c1 252588531 ACLQRGUPDVETAX-MRXNPFEDSA-N 450.451 4.056 50 10 JIGE CCCOc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(C#N)cc2)cc1 254319087 UJCVVHWCSXFALA-UERAXRIXSA-N 452.514 4.268 50 10 JIGE CC(C)c1ccc(C=NNC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)cc1 254757724 BWAJZHYWJAEDJC-INZJQFTESA-N 455.514 4.460 50 10 JIGE C[C@@H]1CCC[C@@](CBr)(NC(=O)c2cc(I)ccc2O)C1 300438297 VPAJQNOBPKYJOZ-MEBBXXQBSA-N 452.130 4.070 50 10 JIGE CCN(C[C@](C)(CI)OC1CCC(OC)CC1)C(=O)OC(C)(C)C 686228424 WZJBKQDAGPJTJE-JMLCCBQJSA-N 455.377 4.411 50 10 JIGE Cn1cc(Br)c([C@@H](Br)c2cc3nc(O)[nH]c3cc2Br)n1 693042326 CUWNLFLHRRWFGG-JTQLQIEISA-N 464.943 4.011 50 10 JIGE Cc1ccccc1OCC(=O)NN=C1C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21 1083939222 RGVPNPHEKJHTHP-UHFFFAOYSA-N 496.336 4.343 50 10 JIGE O=C(/C=C\c1cn(Cc2ccccc2)nc1-c1cccnc1)NNC(=O)c1ccccc1Cl 1087766441 RMIXINOLHHJWRX-SEYXRHQNSA-N 457.921 4.121 50 10 JIGE C=CCn1c(SCC(=O)NC[C@]2(C)C[C@@H]2Br)nnc1-c1ccc(Cl)cc1 1131376350 ZHPPSDYZJREOLE-KSSFIOAISA-N 455.809 4.166 50 10 JIGE CC(C)=C1[C@H]2C=C[C@H]1[C@@H](C(=O)NNC(=O)CSCc1c(C)c(C)c(C)c(C)c1C)[C@@H]2C(=O)O 1615947967 CDRLIIQMJUROSX-DJEYIWCMSA-N 470.635 4.079 50 10 JIGE CCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3C)cc1OC 1865691604 WDXVXSXCUQQYLC-CYBMUJFWSA-N 487.276 4.217 50 10 JIGE O=C(NC1CC([C@H](F)CBr)C1)c1cc(Br)ccc1Br 1906452299 BBEUARPJZJTUIY-YHBRXECLSA-N 457.963 4.453 50 10 JIGE CN(C[C@@H]1C[C@H]1Br)C(=O)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 1910143294 MSBHZYDIKHBQLQ-VQTJNVASSA-N 494.474 4.178 50 10 JIGE CCN([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(CCl)cc1Br 1915020673 WFGISFJMESFHRB-SFHVURJKSA-N 471.848 4.473 50 10 JIGE CCc1cc(I)c(I)c(CBr)c1 2060222620 VEPNWLCXYBIMEN-UHFFFAOYSA-N 450.883 4.353 50 10 JIGE C[C@H]1C[C@@H](Br)CN(C(=O)c2ccc(Br)cc2I)C1 2086151636 QLLCIUNLGQRXPV-WCBMZHEXSA-N 486.973 4.299 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CC[C@@H](Cl)C2(CC2)C1 2093178130 JFOAZTGNPAQEBB-GFCCVEGCSA-N 454.533 4.287 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H]2[C@H](CCl)C[C@H]2C1 2117681341 AQROFUUKXCJUER-GARJFASQSA-N 454.533 4.001 50 10 JIGE Cc1cc(CBr)ccc1S(=O)(=O)N1CCCN(Cc2ccccc2)CCC1 2179790548 FZAMIQFZXSQZFH-UHFFFAOYSA-N 451.430 4.177 50 10 JIGE CN(C[C@@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)C1CCC(CBr)CC1 2179826452 SEGBLIAESZXNAP-CKHPTIKVSA-N 457.478 4.114 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N[C@H]2C[C@@H](CCBr)C2)cc1Br 2199061241 YVRYWYYPSXPGIY-AOOOYVTPSA-N 490.055 4.362 50 10 JIGE C[C@@H](Br)COCc1cn(-c2cc(Br)ccc2Br)nn1 2278381428 YELXHSBTMHHOOF-MRVPVSSYSA-N 453.960 4.092 50 10 JIGE N#CC(C(=O)NCc1ccco1)=C1S[C@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(F)cc1 2293039256 SZFVYPQLKRNLGL-OAQYLSRUSA-N 492.488 4.070 50 10 JIGE COc1ccc(C=CC(=O)Oc2ccc(C=NNC(=O)CNc3c(C)cccc3C)cc2)cc1 2295172682 YDKAYODQCFMWOU-UHFFFAOYSA-N 457.530 4.493 50 10 JIGE O=CC(=CN=c1cccc(NC=C(C=O)c2nc3ccccc3o2)[nH]1)c1nc2ccccc2o1 2297550480 PSAIYKPOYOGPKD-UHFFFAOYSA-N 451.442 4.090 50 10 JIGE N#CC(=Cc1ccccc1)C(=O)Oc1ccc2cc(C(=O)NCCc3ccccc3)c(=O)oc2c1 2314751013 KGBXEPCAEUIMSJ-UHFFFAOYSA-N 464.477 4.278 50 10 JIGE CCCOc1cccc(C=NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1 2325903190 DOQLJAWHXRHABK-HOTGVXAUSA-N 452.580 4.083 50 10 JIGE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)S(=O)(=O)c2ccccc2)c1 2423550 SELAKSWEDYCCMD-QNGOZBTKSA-N 457.511 4.442 50 10 JIGE CC[C@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c1 10671405 CPLFFJCVSCATBB-QWHCGFSZSA-N 484.405 4.274 50 10 JIGE C[C@H](Oc1ccccc1)C(=O)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 14004749 AITAMWASRCTEHB-SFHVURJKSA-N 459.546 4.465 50 10 JIGE CCOc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)cc1Br 14770361 UPYABQMFWZJWTB-UHFFFAOYSA-N 496.361 4.483 50 10 JIGE CC(C)(C)c1ccc(C(=O)NNC(=O)CCSCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1 15714565 YVQYVJWSFCWXGG-UHFFFAOYSA-N 498.674 4.245 50 10 JIGE Cc1nn(-c2ccccc2)c2nc(Cc3ccccc3)nc(N3CCCN(C(=O)[C@H](C)Cl)CC3)c12 35908875 HQFCJAKSKAZHLV-IBGZPJMESA-N 489.023 4.381 50 10 JIGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(Nc2ccc(F)cc2)c1[N+](=O)[O-] 40649391 IMFYSWRJEUBXGC-UHFFFAOYSA-N 467.244 4.096 50 10 JIGE Cc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)c(C)n1-c1cc(C(=O)O)ccc1Cl 58890694 ILTOAOFTVDEARP-DHNPSKQRSA-N 453.926 4.410 50 10 JIGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cc(Br)cc(Cl)c2O)cc1 58893030 YRNQXDVWVAMBOQ-CBVHTYNASA-N 455.736 4.171 50 10 JIGE NNC(=O)c1sccc1COc1c(Br)cc(Br)cc1Br 110953332 UYDKRQMKNBNZDN-UHFFFAOYSA-N 484.995 4.218 50 10 JIGE O=C(COc1ccccc1[N+](=O)[O-])NN=Cc1ccc(OC(=O)c2cccc3ccccc23)cc1 254479919 OMOVGAGWUJULRC-UHFFFAOYSA-N 469.453 4.496 50 10 JIGE COc1cc(C(=O)Oc2ccccc2C=NNC(=O)COc2cc(C)ccc2C)cc(OC)c1OC 254770113 XQZLBMHXFKOORW-UHFFFAOYSA-N 492.528 4.078 50 10 JIGE O=C(Nc1sccc1C(=O)NNC(=O)c1cccc2cccnc12)c1ccc2c(c1)CCC2 729350773 OHWCADZUCHWCRP-UHFFFAOYSA-N 456.527 4.112 50 10 JIGE C=C(CBr)CN1CCN([C@@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 1473254321 IPHZVPCOFKHUDL-AWEZNQCLSA-N 459.310 4.385 50 10 JIGE Cc1c(C(=O)NCCC(C)C)oc2c1C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772746959 BSJUTMCTHSNGBB-UHFFFAOYSA-N 460.918 4.396 50 10 JIGE COC(=O)c1ccccc1N(C)C(=O)c1oc2c(c1C)C(=NNC(=O)Cc1ccccc1)CCC2 1772747730 GBXMULBXIBIDJX-UHFFFAOYSA-N 473.529 4.051 50 10 JIGE CCc1nn(-c2ccccc2)c2c1[C@@H](c1cc(Br)c(O)c(OC)c1)C(C#N)=C(N)O2 1865689131 KQJHYHTUUAKSGW-SFHVURJKSA-N 467.323 4.130 50 10 JIGE CCCc1nn(C)c2c1[C@H](c1cc(Br)c(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865698551 XBRIWIVSWVIRHG-QGZVFWFLSA-N 461.360 4.149 50 10 JIGE CC(C)(C)OC(=O)N1CC(N(C[C@@H](Br)C(F)(F)F)OCc2ccccc2)C1 1881878674 ONDGNBQZXMVNRD-OAHLLOKOSA-N 453.299 4.365 50 10 JIGE O=C(N[C@H]1C[C@@H]([C@@H](F)CCl)C1)c1cc(Br)ccc1I 1906509952 JUDLMCJOPPJGPK-NMLBEHRDSA-N 460.512 4.139 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CC[C@@H](Cl)C12CCC2 1914447443 JAJVMXMRCDBHJW-GFCCVEGCSA-N 454.533 4.430 50 10 JIGE C[C@@H]1C[C@H](Br)CN(c2ncc(I)cc2Br)C1 1988533318 TVDYQYMYGJUOGR-SFYZADRCSA-N 459.951 4.058 50 10 JIGE COC[C@@](C)(CBr)N(C)C(=O)c1csc(Br)c1Br 2032956157 MJZWKNKACXVWCC-LLVKDONJSA-N 464.017 4.145 50 10 JIGE CN(C[C@H](Br)COCc1ccccc1)C(=O)Cc1ccc(O)c(Br)c1 2050362821 SPEGNPJEGBJTRU-INIZCTEOSA-N 471.189 4.136 50 10 JIGE Cc1cc(Br)c([C@@H](Br)[C@@H]2[C@H]3CS(=O)(=O)C[C@H]32)cc1Br 2117953810 SDBHFOCYXDWIHF-FIDNZITISA-N 473.024 4.247 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1C[C@H]2C[C@H](Br)C[C@H]2C1 2128632659 ROEHBEBRWYDWHO-URLYPYJESA-N 454.533 4.190 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CC[C@@H](Cl)[C@H]1C1CC1 2130614167 BWVZETDWOYTARE-DGCLKSJQSA-N 454.533 4.286 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@@H]2CC[C@@]2(CCl)C1 2142283046 KZLNURFLTVFJFE-LKFCYVNXSA-N 454.533 4.145 50 10 JIGE Cc1c(CBr)cccc1S(=O)(=O)N1C[C@H](C)N(Cc2ccccc2)C[C@H]1C 2179779842 OCSAPHWZEATCBZ-DLBZAZTESA-N 451.430 4.173 50 10 JIGE CCc1ccc(S(=O)(=O)N2CC[C@H](COCc3ccccc3)C2)cc1CBr 2179861190 DGPBJBFEOLQLQL-SFHVURJKSA-N 452.414 4.371 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1[C@H]2CC[C@@H](C2)[C@@H]1CBr 2268338995 BNQDFRBSYAFILJ-FWDPORAESA-N 454.533 4.333 50 10 JIGE Cc1cc(S(=O)(=O)N[C@H](CCBr)COCc2ccccc2)sc1Cl 2303589951 QIHDBVBOFLPIPP-CQSZACIVSA-N 452.823 4.359 50 10 JIGE N#CC(=Cc1cn(CC(=O)N2CCCC2)c2ccc(Br)cc12)C(=O)NCc1cccs1 2313624130 NKBXZYKENYETFQ-UHFFFAOYSA-N 497.418 4.311 50 10 JIGE N#CC(=CNc1ccc2c[nH]nc2c1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2318455392 SHYSQFXZTMOMLP-UHFFFAOYSA-N 462.557 4.316 50 10 JIGE COc1ccc2c(c1)c(C=NNC(=O)Cn1cnc3sc(C)c(-c4ccccc4)c3c1=O)cn2C 2325904161 MZWKYWURHWGLRV-UHFFFAOYSA-N 485.569 4.084 50 10 JIGE CN(Cc1c(Br)cccc1Br)S(=O)(=O)CCCCBr 2340606188 HTEFSPGHYRXGGD-UHFFFAOYSA-N 478.044 4.148 50 10 JIGE Clc1ccc(CN2CC[C@]3(C[C@@H](Br)CO3)C2)c(I)c1 2341050517 NVSSPDNHINMFCY-RISCZKNCSA-N 456.549 4.073 50 10 JIGE C[C@@H](Br)CN1CCCN(Cc2ccc(Cl)c(I)c2)CC1 2362379410 MFUOSXUISSEUOY-GFCCVEGCSA-N 471.608 4.236 50 10 JIGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H]1CCCC[C@H]1CCBr 2364214860 PUDLYHFGZZQRDM-PXNSSMCTSA-N 499.471 4.106 50 10 JIGE Cc1cc(=O)oc2cc(OCc3ccc(C(=O)N/N=c4\sc5ccccc5n4C)cc3)ccc12 3442289 NEBNOBWWBRAJHV-SGEDCAFJSA-N 471.538 4.479 50 10 JIGE Cc1ccc(O[C@@H](C)C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1C 10153209 SZWIOYXGHKEIFX-INIZCTEOSA-N 477.399 4.357 50 10 JIGE CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccccc1Cl 14650285 PXBNXYJOHUBLPN-UHFFFAOYSA-N 484.803 4.231 50 10 JIGE O=C(O)CCCC(=O)N/N=C/c1nc(-c2ccccc2Cl)c2cc(Br)ccc2n1 39899587 GEZUOUJZQSJURF-FOKLQQMPSA-N 475.730 4.418 50 10 JIGE CCCCc1ccc(Nc2ncnc(NNC(=O)c3cccc([N+](=O)[O-])c3)c2[N+](=O)[O-])cc1 40581290 UAJMOKOMMASCHT-UHFFFAOYSA-N 451.443 4.136 50 10 JIGE Nc1c(NNC(=O)c2ccc(Br)cc2)ncnc1Nc1cccc(Br)c1 40784529 UZAJHWLWUCWYQQ-UHFFFAOYSA-N 478.148 4.084 50 10 JIGE O=C(N[C@@H]1CCC[C@H]1CBr)c1cc(Br)ccc1I 231577434 YVZFHWVDUQNPPN-QPUJVOFHSA-N 486.973 4.347 50 10 JIGE C[C@@H]1[C@H](CBr)CCN1C(=O)c1cc(Br)ccc1I 385771276 GSKBSBJFPUUTDD-BDAKNGLRSA-N 486.973 4.299 50 10 JIGE FC(F)(F)Oc1nc(CBr)cc(Br)c1I 396167491 ZWVVPDPLBDTPMT-UHFFFAOYSA-N 460.813 4.242 50 10 JIGE O=C(N[C@H](CBr)C1CCC1)c1cc(Br)ccc1I 717614493 WSOJPWNEHVJJAC-GFCCVEGCSA-N 486.973 4.347 50 10 JIGE Cc1cc(/C=C(/C#N)C(=O)Oc2ccccc2C(=O)N2CCOCC2)c(C)n1-c1ccc(F)cc1 790920759 BXDMLWAPQCLTFV-PGMHBOJBSA-N 473.504 4.218 50 10 JIGE N#CCCn1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3Cl)CC2)c(-c2ccccc2)n1 914458537 DUBGBZNWPRUDIZ-FXBPSFAMSA-N 470.964 4.373 50 10 JIGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(C)n(-c3cccc(C(=O)O)c3C)c2C)cc1 1084052413 MHMZYSSQBHXCSK-VWLOTQADSA-N 477.561 4.463 50 10 JIGE Nn1c(SCCCC(=O)NN=C/C=C\c2ccccc2)nnc1-c1ccc(Br)cc1 1084629565 OUOWMQYHHKYJTH-VHANHNLSSA-N 485.411 4.109 50 10 JIGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 1673232508 JYJITCODGBSXHE-UUOWRZLLSA-N 456.502 4.165 50 10 JIGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)cc1O 1865682842 YPPAPTASEVCVML-KRWDZBQOSA-N 460.387 4.022 50 10 JIGE CN(C[C@H](Br)COCc1ccccc1)c1ccccc1S(=O)(=O)C(F)(F)F 1916334714 JRHVMNGKHOYNOI-HNNXBMFYSA-N 466.319 4.397 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCNCc1cccc(NC(=O)C(F)(F)F)c1 1985347043 MNHOTLBCARCTFF-UHFFFAOYSA-N 453.552 4.183 50 10 JIGE O=C(CCl)c1cc(Br)c(I)c(I)c1 2059974957 DAQKCYGTZYQYLF-UHFFFAOYSA-N 485.284 4.080 50 10 JIGE CCc1ccc(I)c(I)c1CBr 2060222797 YYPBWJCWALJPRD-UHFFFAOYSA-N 450.883 4.353 50 10 JIGE FC1(F)CN(c2ncc(I)cc2Br)CC[C@H]1CBr 2069530862 APLVDEINKGFDHD-ZETCQYMHSA-N 495.931 4.305 50 10 JIGE CN1CCC[C@H]([C@H](Br)c2c(Br)cccc2Br)S1(=O)=O 2094099958 YQKDTFHHAYAVFL-PWSUYJOCSA-N 476.028 4.072 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@H]2C[C@H](Cl)C[C@H]2C1 2128634303 XZPPXKQXDHCWHM-URLYPYJESA-N 454.533 4.143 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@@H](Cl)C2(CCC2)C1 2142285210 NFNMXMKSCCZHIH-GFCCVEGCSA-N 454.533 4.287 50 10 JIGE COCCOCCN(Cc1ccccc1)S(=O)(=O)c1ccc(CBr)c(Cl)c1 2179778949 HVWTWGVEBIZLIY-UHFFFAOYSA-N 476.820 4.089 50 10 JIGE CCc1ccc(CBr)cc1S(=O)(=O)N1CCN(Cc2ccccc2)C[C@H]1C 2179854722 XOEBBZDIQUYDHA-QGZVFWFLSA-N 451.430 4.039 50 10 JIGE O=C(N[C@H]1C[C@H]2CC[C@H]1[C@H](Br)C2)c1cc(I)ccc1F 2204566571 ZTJWAUHFSCYUSN-GTUGTTAGSA-N 452.105 4.112 50 10 JIGE O=C(c1scc(Br)c1Br)N1CC[C@H]2[C@H](CBr)[C@H]2C1 2311902842 ZKOIEOBSQFNGMG-FXQIFTODSA-N 458.013 4.376 50 10 JIGE C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)NN=Cc4ccc(Br)cc4F)c(=O)c23)C1 2318792718 QQCCSIOIAKCWHX-NWDGAFQWSA-N 491.386 4.196 50 10 JIGE CCOc1c(OC)cc(C=NNC(=O)Cc2cc(Cl)ccc2SCC)cc1[N+](=O)[O-] 2323679902 LMEBOSLVQQNWLI-UHFFFAOYSA-N 451.932 4.460 50 10 JIGE COc1cccc(NC=C(C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 2324602959 GHMRLBNTFJOUMG-UHFFFAOYSA-N 452.558 4.448 50 10 JIGE COc1ccc(OC)c(C=CC(=O)NN=C2C(=O)N(Cc3ccccc3Cl)c3ccccc32)c1 2326841470 GNPUAMRPLVUBPS-UHFFFAOYSA-N 475.932 4.438 50 10 JIGE CN([C@@H]1CCCCC[C@H]1Cl)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364213126 FGHVPWNGDVVDEZ-WOJBJXKFSA-N 455.020 4.045 50 10 JIGE C=CCOc1ccc(/C=C2/C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1 101289283 UMMBYKAOMDDSMR-PXLXIMEGSA-N 458.514 4.104 50 10 JIGE O=S1(=O)CC[C@H](C(CBr)(CBr)Cc2c(F)cccc2Cl)C1 118875599 ITTQOYXIDWTEGV-JTQLQIEISA-N 462.606 4.233 50 10 JIGE CCOc1cc(/C=N\NC(=O)Cc2cc(Cl)ccc2SC)cc([N+](=O)[O-])c1OCC 169922742 LIELBRCEGQFFIL-UUYOSTAYSA-N 451.932 4.460 50 10 JIGE O=c1[nH]c2cc(Br)c([C@@H](Br)c3ccoc3Br)cc2[nH]1 232483616 DDUTVPMHWSNREE-JTQLQIEISA-N 450.912 4.459 50 10 JIGE O=S(=O)(NCCCCCCI)c1ccc(Cl)c(Br)c1 236056266 SYPUBNDTGCADED-UHFFFAOYSA-N 480.593 4.376 50 10 JIGE CN1C[C@@H](CI)[C@@H](c2cc(Br)ccc2Br)C1 394605297 HGHLWGZWCWAKDV-KCJUWKMLSA-N 458.963 4.292 50 10 JIGE CC[C@@H](NC(=O)c1ccc(I)c(Br)c1)[C@H](C)Br 721580219 UQOMEZRJZZWFCO-WRWORJQWSA-N 474.962 4.346 50 10 JIGE N#CCCn1cc(/C=C(/C#N)C(=O)NCc2cccc(C(=O)NC3CC3)c2)c(-c2ccc(Cl)cc2)n1 916087459 ASDCUXSILZAFRB-STZFKDTASA-N 498.974 4.233 50 10 JIGE C=CCOc1cccc(C=NNC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)c1 1084045068 JCJLJXCCFDGEFQ-UHFFFAOYSA-N 477.586 4.214 50 10 JIGE CN(C)C(=O)/C(C#N)=C/c1ccc(OCc2cccc(F)c2)c(I)c1 1084576673 PTHQLLAMNDTISO-OVCLIPMQSA-N 450.251 4.004 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccn2)[C@H]1c1cc(Br)ccc1F 1865702118 NCCCEOVCANETGQ-AWEZNQCLSA-N 480.219 4.406 50 10 JIGE CC(C)([C@H](Br)c1sc(Cl)cc1I)S(C)(=O)=O 1900919094 KHJBMVBQJSKIPA-MRVPVSSYSA-N 457.580 4.265 50 10 JIGE O=S(=O)(NCC[C@@H]1CCC[C@@H]1Br)c1cc(Br)ccc1Br 1913791112 CLSDGTZXCDIYGE-ONGXEEELSA-N 490.055 4.444 50 10 JIGE O=C(N[C@@H](CBr)C[C@H]1CCCO1)c1scc(Br)c1Br 1926771965 YTFVHKAJSDWMHR-HTQZYQBOSA-N 476.028 4.336 50 10 JIGE O=C(N[C@@H](CBr)C[C@@H]1CCCO1)c1cc(Br)c(Br)s1 1926780719 LOZRCGHYWGUMCP-SFYZADRCSA-N 476.028 4.336 50 10 JIGE CCOc1cc(I)c(C(=O)CBr)cc1OC(F)(F)F 2055076845 CZWRBIWTPBFHKD-UHFFFAOYSA-N 452.992 4.166 50 10 JIGE O=C(c1cc(Br)sc1Br)N1CCO[C@@H]2C[C@H](Br)C[C@@H]21 2128867504 JAZOAFWPVURPJQ-BWVDBABLSA-N 474.012 4.040 50 10 JIGE C=C[C@@]1(CBr)COCCN1Cc1cc(Br)ccc1Br 2135114939 LZNPOHYOSIGCLH-CQSZACIVSA-N 454.000 4.364 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@@H](Cl)CCC12CC2 2227471212 BVHKBWVJBOXRAC-JTQLQIEISA-N 454.533 4.430 50 10 JIGE O=S(=O)(c1cc(CBr)sc1Br)N1CCSC2(CCC2)C1 2279055384 ZSIXRHVRFIZOLJ-UHFFFAOYSA-N 461.266 4.066 50 10 JIGE CC(C)(C)OC(=O)N1CCC(CI)(OC[C@@H]2C[C@]23CC3(F)F)CC1 2307387536 VJHVDPFQNOPXIW-LRDDRELGSA-N 457.299 4.253 50 10 JIGE C[C@H]1Cc2cc(C=C(C#N)C(=O)Nc3sc4c(c3C(=O)NC[C@@H]3CCCO3)CCCC4)ccc2O1 2314617630 LQKWOKJPDFUYIM-JXFKEZNVSA-N 491.613 4.405 50 10 JIGE CCCOc1ccc(C(=O)NNC(=O)C=Cc2cccc(OCc3ccccc3)c2)cc1[N+](=O)[O-] 2328845273 HPFAWEZYBQXIHY-UHFFFAOYSA-N 475.501 4.437 50 10 JIGE O=C(c1ccc(Br)cc1Br)N1CC[C@@H]2[C@H](C1)[C@@H]2CBr 2333118050 VHECNMIJPMENGK-WCQGTBRESA-N 451.984 4.315 50 10 JIGE O=C(N[C@@H]1C[C@@H]2C[C@H]1C[C@@H]2Br)c1ccc(Cl)cc1I 2340052831 SYPXSRZWBCJRGP-NIUIZCCNSA-N 454.533 4.236 50 10 JIGE COCCO[C@H]1[C@@H](OCc2cc(I)ccc2Cl)C[C@H]1Br 2380342381 GOBFKBQRPSHYHK-KWCYVHTRSA-N 475.548 4.029 50 10 JIGE CC(C)(C)c1ccc(C(=O)NC(=S)NNC(=O)c2ccc(Cl)cc2)cc1Br 13977052 XYACAVYRUDOOPF-UHFFFAOYSA-N 468.804 4.349 50 10 JIGE O=C(COc1ccc(Cl)cc1Cl)NNC(=O)c1ccccc1OCCOc1ccccc1 14040555 VFACTCHWEBXUEI-UHFFFAOYSA-N 475.328 4.291 50 10 JIGE Cc1c(C(=O)NCCC(C)C)oc2c1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 40823313 OGPFFEYNMJULSN-IPBVOBEMSA-N 473.389 4.353 50 10 JIGE COC(=O)c1ccccc1N(C)C(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccoc1C)CCC2 40823375 HOIURKGSPSWHHF-NLRVBDNBSA-N 463.490 4.023 50 10 JIGE COc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2cccc(OC)c2)C(=O)CCl)cc1 97914326 FMBOQTLNFNBEML-DEOSSOPVSA-N 458.986 4.461 50 10 JIGE CNC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(C)c(C)c1 101240772 PZRPLIVIRQQMMN-SBOLGIJOSA-N 470.392 4.238 50 10 JIGE CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N(Cc4cccnc4)C(=O)C(C#N)=C3C)o2)cc1 214314022 PPMVRWMQNAHLIW-XKZIYDEJSA-N 467.481 4.311 50 10 JIGE CC(CC(=O)NC12CC3CC(CC(C3)C1)C2)=NNC(=O)COc1ccc(Br)cc1C 252594162 BPYRMCLCDLHLBU-UHFFFAOYSA-N 476.415 4.104 50 10 JIGE COc1ccc(C(=O)NCC(=O)NN=Cc2c(OC(=O)c3cccc(C)c3)ccc3ccccc23)cc1 254309780 FQXVHWVHMQAJOM-UHFFFAOYSA-N 495.535 4.256 50 10 JIGE CCOc1cc(C=NNC(=O)COc2cccc(C)c2)ccc1OC(=O)c1ccc(OC)cc1 254345774 KVUUXKRWPATVOD-UHFFFAOYSA-N 462.502 4.151 50 10 JIGE CCOc1ccc(C=NNC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)cc1OC 254384181 PQRRUABXQKRGRR-UHFFFAOYSA-N 488.569 4.035 50 10 JIGE CCN(CC)c1ccc(C=NNC(=O)[C@H](C)Nc2ccc(I)cc2C)cc1 254819764 VTQKJOSIBSTYNI-INIZCTEOSA-N 478.378 4.397 50 10 JIGE COC(=O)[C@H](Br)C1(Oc2ccc(Br)cc2Br)CCC1 311392553 MXVJAZSHZRXOCH-NSHDSACASA-N 456.956 4.450 50 10 JIGE CC[C@H](Br)[C@@H](C)NC(=O)c1ccc(I)c(Br)c1 721595743 YBULTZKFXYPWNI-APPZFPTMSA-N 474.962 4.346 50 10 JIGE C[C@H](Br)[C@@H]1CCN(C(=O)c2ccc(I)c(Br)c2)C1 721605959 UQFSIFGARTTXPW-WCBMZHEXSA-N 486.973 4.299 50 10 JIGE Cc1ccc(C(=O)Nc2ccc(C(=O)NN=Cc3cc(Br)ccc3O)cc2)cc1 1083888351 NTSRNRBHFNNTNM-UHFFFAOYSA-N 452.308 4.479 50 10 JIGE CN(C)c1ccc(C=NNC(=O)CSc2nnc(CCc3ccccc3)n2-c2ccccc2)cc1 1084016802 OJOBLHZCFLMLQZ-UHFFFAOYSA-N 484.629 4.361 50 10 JIGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCC(=O)O 1084210720 UURFFAVGJVBKCO-LICLKQGHSA-N 455.308 4.495 50 10 JIGE C#Cc1cccc(N(CC(=O)NC)C(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(C)c3)c2C)c1 1264841303 INXOZMXGCIODOV-LFVJCYFKSA-N 450.542 4.070 50 10 JIGE Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865715094 VYYFUTXOFJNNEW-GOSISDBHSA-N 458.261 4.320 50 10 JIGE CC(C)(C)OC(=O)N1CC(N(OCc2ccccc2)C(=O)N2CCC(Br)CC2)C1 1974643615 ZNGHPQZIYRFFKX-UHFFFAOYSA-N 468.392 4.019 50 10 JIGE CC(C)[S@](=O)(=NC[C@H](Br)C(F)(F)F)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2063273280 KWXIHXZKMIIICK-YYWUGTDISA-N 451.349 4.198 50 10 JIGE CN(C[C@H]1C[C@H](Br)C1)[C@H](CN)c1cc(Br)c(Br)s1 2076249814 GPKYAKZQMVQSPD-NQMVMOMDSA-N 461.061 4.378 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@H]2[C@H](Cl)CC[C@H]2C1 2087940585 KWXPQZUZSKROFA-RLCGTCKNSA-N 454.533 4.143 50 10 JIGE O=C(c1cc(Br)ccc1I)N1[C@H]2CC[C@@H]1C[C@@H](Cl)C2 2098696719 AILNTGOONJGODI-RTCCRHLQSA-N 454.533 4.428 50 10 JIGE Cc1sc(CBr)cc1S(=O)(=O)N1CCC[C@H](N(C)Cc2ccccc2)C1 2123238221 UDODQMHEEBGGOV-KRWDZBQOSA-N 457.459 4.237 50 10 JIGE CN(C[C@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1ccsc1CBr 2123283676 KDLKBWCJKHPYNJ-QGZVFWFLSA-N 457.459 4.176 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CC2(CC2)C[C@H]1CCl 2142287016 AHFWQHVHNSZAQJ-JTQLQIEISA-N 454.533 4.287 50 10 JIGE O=C(OCc1ccccc1)N1CCC2(CC1)CCN2S(=O)(=O)c1ccc(CBr)cc1 2163052779 HOQOAOHXCDIIBK-UHFFFAOYSA-N 493.423 4.147 50 10 JIGE Cc1c(CBr)cccc1S(=O)(=O)N1C[C@@H](C)N(Cc2ccccc2)C[C@@H]1C 2179779845 OCSAPHWZEATCBZ-SJORKVTESA-N 451.430 4.173 50 10 JIGE CC(C)(C)OC(=O)N1C[C@H](I)[C@@H](OC[C@H]2CC(F)(F)C23CCC3)C1 2247329381 PGTXZORWMOMPHN-AGIUHOORSA-N 457.299 4.251 50 10 JIGE COc1cc(Br)c(OCC(=O)NN=CC=Cc2ccco2)c(Br)c1 2297321477 NAWNILINARQUMP-UHFFFAOYSA-N 458.106 4.007 50 10 JIGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)C=Cc3ccccc3Cl)cc2)c1 2313621228 PENUSBYGHOCIHH-UHFFFAOYSA-N 492.988 4.250 50 10 JIGE BrC[C@H]1CCC2(CN(Cc3c(Br)cccc3Br)C2)O1 2336705437 VQQTWDSVAYLHQH-SNVBAGLBSA-N 454.000 4.340 50 10 JIGE CS[C@H]1C[C@@H](CN(C)S(=O)(=O)c2cc(CBr)sc2Br)C1 2360914425 YKNZJVRVSVLEAK-DTORHVGOSA-N 463.282 4.168 50 10 JIGE Cc1ccc(O[C@H](C)C(=O)NNC(=S)NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1C 10153873 FMDVKJYOAHRBPT-OAHLLOKOSA-N 498.432 4.259 50 10 JIGE Cc1cc(Cl)ccc1OCC(=O)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Br 14644312 PLWYEGNASXTNIQ-NSHDSACASA-N 476.154 4.058 50 10 JIGE COc1ccc(OCC(=O)N/N=C(\C)c2ccc(Br)cc2)c(Br)c1 20072186 NUWODLGAAYZWOJ-RGVLZGJSSA-N 456.134 4.139 50 10 JIGE COc1ccc(CCNC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2F)CCC3)cc1OC 40812338 JWWIFDULRUYGDT-TWKHWXDSSA-N 493.535 4.187 50 10 JIGE CC(C)(C)c1ccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)cc1 58883612 WRYDENYXWYYBCH-VFCFBJKWSA-N 477.630 4.368 50 10 JIGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2ccc(-c3cc(C(=O)OC)ccc3C)o2)cc1 58894669 KZOZCADOYYUOEK-PVPASAESSA-N 464.518 4.404 50 10 JIGE C/C(=N\NC(=O)CCCSc1nnc(CCc2ccccc2)n1N)c1ccc2ccccc2c1 58991233 NDNHECOBEUOXGG-TURZUDJPSA-N 472.618 4.343 50 10 JIGE O=C(N/N=C\c1cc(Cl)c(O)c(Cl)c1)c1cccn(Cc2cccc(Cl)c2)c1=O 169920636 JLNIGRBFPWPWTG-VROXFSQNSA-N 450.709 4.326 50 10 JIGE CCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc(/C=C(/C#N)C(=O)OCC)cc2OC)cc1 206311064 YSDMETQTQCDWCZ-FGBZTSAVSA-N 460.486 4.467 50 10 JIGE CCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C/c2ccc(OCC)c(OC)c2)c(OC)c1 206504269 JWIMIBKZLWOKPI-BOIKWEOWSA-N 464.518 4.154 50 10 JIGE C[C@H]1CCN(C(=O)c2cc(I)ccc2Br)C[C@H]1Br 235629738 UORLPHHHFSBTTF-QPUJVOFHSA-N 486.973 4.299 50 10 JIGE COc1ccc(/C=C\C(=O)NN=C(C)c2ccc(NCc3cc([N+](=O)[O-])ccc3O)cc2)cc1 254293040 DVPZXJFKXNTBGK-QIXGRVCYSA-N 460.490 4.475 50 10 JIGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccccc3[N+](=O)[O-])nnc2-c2ccccc2)cc1 254760827 JVYABYFWECZYQM-UHFFFAOYSA-N 488.529 4.094 50 10 JIGE Cc1ccc(N(CC(=O)NN=Cc2c(O)ccc3ccccc23)S(=O)(=O)c2ccccc2)cc1 263629175 ZNKUAQQIFZSWKJ-UHFFFAOYSA-N 473.554 4.199 50 10 JIGE C[C@@H](CBr)CN(C)C(=O)c1cc(Br)ccc1I 689002741 OWRMYXCAFPEANY-QMMMGPOBSA-N 474.962 4.157 50 10 JIGE Cc1cc(S(=O)(=O)NC2(CCBr)CCSCC2)sc1Br 719648456 YKFHVPRABGTIDE-UHFFFAOYSA-N 463.282 4.148 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CC2CC1(CBr)C2 721621167 OERXMRJIOPZWDR-UHFFFAOYSA-N 484.957 4.053 50 10 JIGE CC(C)[C@@H](NC(=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1)c1nc(C2CC2)no1 727943353 JKZKGDQZMHROQG-HXUWFJFHSA-N 467.501 4.006 50 10 JIGE OB(O)[C@@H]1CCN(c2nc(Cc3ccc(F)cc3)nc3scc(-c4ccc(F)cc4)c23)C1 864233206 HZNLSDOXQXUTII-MRXNPFEDSA-N 451.307 4.280 50 10 JIGE COc1ccc(C=NNC(=O)/C(=C/C=C\c2ccccc2)NC(=O)c2ccccc2)c(OC)c1 1082988498 IVVYHLCUFVJOMT-PVSPUVHBSA-N 455.514 4.181 50 10 JIGE O=C(NN=C1C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21)c1cccc([N+](=O)[O-])c1 1083887311 OTDFLKZAJTWLQZ-UHFFFAOYSA-N 497.280 4.177 50 10 JIGE C=CCOc1ccc(C=NNC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1OC 1083901391 FPQBGITUQVTDHR-UHFFFAOYSA-N 455.820 4.021 50 10 JIGE Cc1ccc(NC(=O)CN2C(=O)C(=NNC(=O)Cc3cccc4ccccc34)c3ccccc32)cc1 1084180262 ZNPWNIAJZJYSDY-UHFFFAOYSA-N 476.536 4.197 50 10 JIGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@@H](c2ccccc2C(=O)O)C(C#N)=C(N)O3)cc1 1865704407 VAPIDRIJBGRZJO-QFIPXVFZSA-N 464.481 4.464 50 10 JIGE COc1ccc(-c2ccc(C(=O)N/N=C\c3cc(Br)c(O)c(OC)c3)c(C)n2)cc1 1865761985 HHXLRGFPUVCQGC-MSXFZWOLSA-N 470.323 4.306 50 10 JIGE CSCC[C@@H](NC(=O)c1n[nH]c(C)c1-c1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1867280023 FLURMUYXJUVOJJ-LJQANCHMSA-N 465.604 4.449 50 10 JIGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)C[C@H]1C[C@H]1Br 1881363476 WRMYSFIZLOPIML-PDSXEYIOSA-N 457.368 4.155 50 10 JIGE C[C@@H]1[C@@H](Br)CCN1C(=O)c1ccc(I)c(Br)c1 1914403840 XZHQQVFNAVOFFM-APPZFPTMSA-N 472.946 4.052 50 10 JIGE CN(Cc1nccn1Cc1ccccc1)S(=O)(=O)c1cc(CCl)sc1Br 1915033612 KECVNYXYPOLLKR-UHFFFAOYSA-N 474.833 4.315 50 10 JIGE O=C(c1cc(Br)c(Br)s1)N1C[C@H](Br)C(F)(F)C1 1946671183 UQSQMVVYMYGOSW-LURJTMIESA-N 453.928 4.128 50 10 JIGE CC(C)(C)OC(=O)N1CCN(C[C@H](CBr)C2CC2)CCN1C(=O)OC(C)(C)C 1955956746 SHTGCTZITFGUDU-INIZCTEOSA-N 462.429 4.112 50 10 JIGE C[C@@](CBr)(NC(=O)c1scc(Br)c1Br)C(F)F 1998351592 ASGYUUGVXYDEPQ-VIFPVBQESA-N 455.944 4.422 50 10 JIGE CC(C)(CBr)c1cn(-c2ccc(I)c(Br)c2)nn1 2046455690 IRKCLVWWTSSRPT-UHFFFAOYSA-N 484.961 4.307 50 10 JIGE O=C(CBr)c1c(I)cc(OC(F)F)cc1OC(F)(F)F 2060375669 DRJQLFAMOCHFKK-UHFFFAOYSA-N 474.945 4.369 50 10 JIGE COC[C@@](C)(CCBr)NC(=O)c1cc(Br)ccc1Br 2101776152 HGUFRZZEHPIBJG-CYBMUJFWSA-N 457.988 4.132 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H]2[C@H](CBr)C[C@H]2C1 2117683987 UHDJDBDKXJJUNG-GARJFASQSA-N 498.984 4.157 50 10 JIGE O=S(=O)(c1ccc(Cl)c(CBr)c1Cl)N1CCN(Cc2ccccc2)CC1 2123254783 POYWDGGJNQICLF-UHFFFAOYSA-N 478.239 4.395 50 10 JIGE CN([C@@H]1CN(Cc2ccccc2)C(C)(C)C1)S(=O)(=O)c1ccsc1CBr 2123286666 PXSMWPPPGYBCNX-INIZCTEOSA-N 457.459 4.317 50 10 JIGE CCCN1CC[C@H]([C@H](Br)c2c(Br)cccc2Br)S1(=O)=O 2150502680 CYFAETUXUSUNEW-YPMHNXCESA-N 490.055 4.462 50 10 JIGE Cc1oc(C)c(S(=O)(=O)N2C[C@@H](C)N(Cc3ccccc3)C[C@H]2C)c1CBr 2179789924 XLQMCDKVYXSTTP-HUUCEWRRSA-N 455.418 4.075 50 10 JIGE FC(F)(F)c1cnc(N2CC[C@]23C[C@@H](CBr)C3)c(I)c1 2182223127 PTIWELWLSFXJQR-ITWVYHRLSA-N 461.063 4.459 50 10 JIGE O=[N+]([O-])c1sc(CBr)cc1N1CC[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2185514652 OPJHYMJRIOWAEE-QZTJIDSGSA-N 452.374 4.031 50 10 JIGE Cc1cccc(C(=O)N2[C@H]3CC[C@H]2[C@H](F)[C@H](Br)C3)c1I 2190680013 TVWBERLEENNVIO-ZBAXXZLZSA-N 452.105 4.078 50 10 JIGE C[C@@H](NC(=O)c1ccc(Br)cc1Br)c1nnc(CBr)s1 2192615004 GEJMMMACYNBQIV-ZCFIWIBFSA-N 484.011 4.449 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2CCC[C@H]2[C@@H](C)Br)cc1Br 2193587106 RSDPCCOJMSAZEZ-SKDRFNHKSA-N 490.055 4.457 50 10 JIGE FC(F)(F)c1cnc(N2C[C@H]3CC[C@@]3(CBr)C2)c(I)c1 2198864411 DCTRCFILFINOOL-PRHODGIISA-N 461.063 4.316 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CCC([C@H](F)CCl)CC1 2207269654 VBMALVPTXFTHME-GFCCVEGCSA-N 474.539 4.483 50 10 JIGE Cc1ccc(I)c(C(=O)N[C@](C)(CBr)C(F)(F)F)c1 2232163392 DKEAXRZHOXWBFX-LLVKDONJSA-N 450.036 4.045 50 10 JIGE C[C@]1(CNS(=O)(=O)c2cc(Cl)c(Br)s2)CCC[C@H]1Br 2271277971 UATWPYKGRRRRKO-LDYMZIIASA-N 451.633 4.396 50 10 JIGE N#CC(=Cc1cc2c(cc1Br)OCO2)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 2297306991 XHOUQKGHPPJZHB-UHFFFAOYSA-N 450.632 4.285 50 10 JIGE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 2328798603 UMFGFQGFIZVGTF-NRFANRHFSA-N 478.505 4.441 50 10 JIGE COC(=O)c1c(NC(=O)[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)sc(C(C)=CC#N)c1C 2331560196 FXDFWZWEGWFOSD-AEFFLSMTSA-N 451.548 4.318 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1C[C@H]2CC[C@H]1C[C@H]2Br 2337063511 CVZAVELFNQAXLV-UBHAPETDSA-N 454.533 4.333 50 10 JIGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=O)NC1CCCCC1 12403373 MSKQYFGJPHCXGJ-UHFFFAOYSA-N 499.203 4.407 50 10 JIGE COc1ccc([C@@H]2c3ccsc3CCN2C(=O)CN(C(=O)C(C)(C)CCl)C2CC2)cc1 16506863 BVKRQGCVTLWIMI-JOCHJYFZSA-N 461.027 4.487 50 10 JIGE COc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C(/C#N)C(=O)Nc1cccc(C)c1 39858823 QTBPAQXWJHCTEH-SDXDJHTJSA-N 452.470 4.350 50 10 JIGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(C)cc2Br)c(OC)c1 40853106 LQDMMYLNLBIBKD-MHWRWJLKSA-N 474.307 4.221 50 10 JIGE C=CCOc1ccc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1Br 58892804 USAYTJUCDQGUAP-ORQKMDSUSA-N 461.356 4.377 50 10 JIGE CC(C)(C)OC(=O)N1CCC(n2c(=O)c(=O)n(CCCCl)c3cc(Cl)ccc32)CC1 91353265 MJQDIHYNHIFKLE-UHFFFAOYSA-N 456.370 4.018 50 10 JIGE C[C@@H]1CN(C(=O)c2cc(I)ccc2Br)CC[C@H]1Br 235366870 LNHWHLUWSIYMBA-LDYMZIIASA-N 486.973 4.299 50 10 JIGE O=C(CSc1ccc([N+](=O)[O-])cc1)NN=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 254699622 JJPASJASXQUHIA-UHFFFAOYSA-N 497.445 4.446 50 10 JIGE Cn1ncc([C@H](Br)c2cc3c(cc2Br)OCC3)c1I 308415791 MYVRZXHBFSFGAN-GFCCVEGCSA-N 497.956 4.206 50 10 JIGE CC(C)N(CCOCCBr)C(=O)c1cc(Br)ccc1Br 379943666 CPXBGMYVZUWDLF-UHFFFAOYSA-N 472.015 4.474 50 10 JIGE C[C@@H]1C[C@@H](CBr)CN(C(=O)c2cc(Cl)ccc2I)C1 398796035 LFISWNITIQBSBZ-ZJUUUORDSA-N 456.549 4.438 50 10 JIGE O=C(Cl)c1c(Br)ccc(I)c1I 575685390 HBJBUUULOCHIHR-UHFFFAOYSA-N 471.257 4.037 50 10 JIGE O=S(=O)(c1ccc(CCl)cc1Br)N1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 687231145 MRIGIVUFDGDXBL-HDICACEKSA-N 469.832 4.225 50 10 JIGE CCN(CCOCCBr)C(=O)c1scc(Br)c1Br 705411351 WQHSOQIXDGOMBK-UHFFFAOYSA-N 464.017 4.147 50 10 JIGE COc1cc(C(=O)Nc2ccc(C(=O)NN=Cc3ccc(Cl)cc3)cc2)cc(OC)c1OC 725437198 OYYAWXGAAZPRRJ-UHFFFAOYSA-N 467.909 4.382 50 10 JIGE CC(C)CNC(=O)C1CCN(C(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)CC1 881450704 FXICWRSEBCOFLD-STZFKDTASA-N 493.011 4.035 50 10 JIGE Cc1c(C(=O)NCc2ccccc2Cl)oc2c1C(=NNC(=O)c1ccc(O)cc1)CCC2 1772744284 BWLQXYYZDQADQG-UHFFFAOYSA-N 451.910 4.347 50 10 JIGE COc1ccc(OC)c(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(F)cc2)CCC3)c1 1772744489 DWGYMKXNTQQLCZ-UHFFFAOYSA-N 465.481 4.467 50 10 JIGE COc1cc(C=NNC(=O)COc2ccc(C)cc2Br)cc(Br)c1OC 1772753713 DRADARNRMQROFK-UHFFFAOYSA-N 486.160 4.066 50 10 JIGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2Cl)cc1O 1865682853 YXNRVEABEILFQZ-MRXNPFEDSA-N 462.815 4.477 50 10 JIGE Cc1nc(-c2ccc(F)cc2)ccc1C(=O)NNC(=O)CCc1ccccc1Br 1865758388 XTLFVIVQZPHHBA-UHFFFAOYSA-N 456.315 4.352 50 10 JIGE CC(C)(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)n1 1868342769 ZHKARVCIUZZOTK-UHFFFAOYSA-N 494.646 4.301 50 10 JIGE C[C@H](Br)CN(Cc1ccccc1)C(=O)c1cc(I)sn1 1881736676 APVUZOAGPIMZLK-JTQLQIEISA-N 465.154 4.174 50 10 JIGE O=C(N[C@@H](CBr)C[C@@H]1CCOC1)c1scc(Br)c1Br 1883262950 AYKLDGCOWQTZIY-JGVFFNPUSA-N 476.028 4.193 50 10 JIGE Brc1ccc(Br)c(CNCCOCCCI)c1 2006503141 KOXVLVYGBXMGOK-UHFFFAOYSA-N 476.978 4.143 50 10 JIGE O=C(CBr)c1cc(Br)cc(Br)c1I 2054855916 ASCQBMSZSMRWLL-UHFFFAOYSA-N 482.735 4.394 50 10 JIGE COCCN(C)C[C@H](Br)CCc1cc(Cl)ccc1I 2099446982 LQOVQZJIXDSZJS-GFCCVEGCSA-N 460.581 4.219 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1CC[C@H](Br)[C@H]1C1CC1 2130612386 RFVFJGBAGATJIE-WCQYABFASA-N 454.533 4.333 50 10 JIGE C[C@]1(CBr)COCCN(Cc2cc(Cl)ccc2I)C1 2135100313 FXUOXGBOKPYZEX-CQSZACIVSA-N 458.565 4.178 50 10 JIGE O=C(c1ccc(Br)cc1I)N1[C@H]2CC[C@H]1CC(Cl)C2 2142281698 SZWOWJXWGMJEEZ-QWRGUYRKSA-N 454.533 4.428 50 10 JIGE COc1nccc(COc2c(Br)cc(Br)cc2CBr)n1 2163834232 GMCXBJXKUUIUGH-UHFFFAOYSA-N 466.955 4.484 50 10 JIGE C[C@@H]1CN(C(=O)Cc2ccccc2I)CC[C@H]1CCBr 2172469366 WGBMAUFIRWTICQ-CHWSQXEVSA-N 450.158 4.103 50 10 JIGE Cc1c(CBr)cccc1S(=O)(=O)N1CCCN(Cc2ccccc2)CCC1 2179777139 ZWVBMIXADKQOBP-UHFFFAOYSA-N 451.430 4.177 50 10 JIGE CC1(C)CCCN(C(=O)c2cccc(F)c2I)[C@H]1CBr 2185814575 AZAYWEFSQHCIJH-LBPRGKRZSA-N 454.121 4.456 50 10 JIGE Cc1cc(C(=O)N2CC[C@@H](C(F)(F)CBr)C2)ccc1I 2207104756 VRQXEIVNDAJCHN-LLVKDONJSA-N 458.084 4.092 50 10 JIGE CC(C)N(CCOCCCl)C(=O)c1ccc(Br)cc1I 2207271803 LKMBHVVWZDCRKA-UHFFFAOYSA-N 474.564 4.160 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@]12CC[S@@](=O)(=NCC1(CBr)CC(F)C1)C2 2265632491 NRSIGIZRBWLJCP-BZXSSIICSA-N 453.418 4.141 50 10 JIGE C[C@@H]1C[C@H](CBr)CN(C(=O)c2ccc(Cl)c(I)c2)C1 2268354513 CGDQNGFCIVDIOW-NXEZZACHSA-N 456.549 4.438 50 10 JIGE O=C(c1csc(I)c1)N1CC[C@H](Br)C[C@@H]1C(F)(F)F 2336323245 AXODKNZJMHVPBH-JGVFFNPUSA-N 468.076 4.283 50 10 JIGE Fc1cc(Br)cc(CCl)c1OCc1ncc(I)cn1 2353072292 SEBOOXFHEGOHLD-UHFFFAOYSA-N 457.468 4.301 50 10 JIGE CC(C)CCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(NC(=O)C2CC2)cc1 14650755 ZIDGQIPUZHEKND-UHFFFAOYSA-N 488.382 4.297 50 10 JIGE Cc1ccc(NC(=O)CCC(=O)NNC(=O)c2ccc(OC(C)C)c(Br)c2)c(C)c1 14658785 ZUASUNCKDOORAH-UHFFFAOYSA-N 476.371 4.033 50 10 JIGE CCC(=O)Nc1ccc(C(=O)NNC(=O)COc2ccc([C@H](C)CC)cc2Br)cc1 14832228 NJRSKRCWGDGRBD-CQSZACIVSA-N 476.371 4.151 50 10 JIGE COc1ccc(/C=C(/C#N)C(=O)OCC(=O)N(CCc2ccccc2)Cc2ccccc2)cc1 33771209 BDDHOTCZUPKVDA-BWAHOGKJSA-N 454.526 4.417 50 10 JIGE COc1ccc(CCNC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2C)CCC3)cc1OC 40811469 KUTQHXCIBTUQRN-MWAVMZGNSA-N 489.572 4.357 50 10 JIGE CCOc1ccc(CCC(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2OC)cc1 41011124 KGWLXFPZJBRYKQ-RCCKNPSSSA-N 474.513 4.448 50 10 JIGE O=C(N/N=C1\C(=O)N(CCOc2ccccc2)c2ccccc21)c1cc2ccccc2cc1O 59165430 CKBCAOXUTXUBRI-FVDSYPCUSA-N 451.482 4.105 50 10 JIGE COc1cc([N+](=O)[O-])ccc1-n1nc(C)c(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)c1C 59166749 OPZGVSVITZKSGK-YSURURNPSA-N 492.319 4.242 50 10 JIGE Cc1cc(/C=C(/C#N)C(=O)OCC(=O)Nc2sc3c(c2C#N)CCC3)c(C)n1CC(C)C 97664614 XRLLNSRUNMTZQM-NVMNQCDNSA-N 450.564 4.272 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CCC[C@@H](CBr)C1 232483011 RWOSSPOWYIJLGD-VIFPVBQESA-N 486.973 4.301 50 10 JIGE COc1ccc(C=NNC(=O)COc2ccc(Cl)cc2)cc1OC(=O)c1ccc(C)cc1 252617761 KZRRRNYYQSXMTD-UHFFFAOYSA-N 452.894 4.405 50 10 JIGE COc1cc(C(=O)NN=Cc2ccc(OC(=O)/C=C\c3ccccc3)cc2)cc(OC)c1OC 254480225 IPVRSSIRRFRABE-DTSRWIBWSA-N 460.486 4.095 50 10 JIGE Cc1ccc(-n2c(SCC(=O)NN=Cc3cccn3C)nnc2-c2ccc(Cl)cc2)cc1 254625314 SVNPJKUOFDLUKJ-UHFFFAOYSA-N 464.982 4.477 50 10 JIGE CC[C@@H](CBr)N(C)S(=O)(=O)c1cc(Br)ccc1Br 393484221 DLMNCOAHTBTYBM-VIFPVBQESA-N 464.017 4.006 50 10 JIGE O=C(N[C@@H](CBr)CC(F)F)c1ccc(I)c(Cl)c1 717779246 XQXIHRRIZVOVQI-SSDOTTSWSA-N 452.464 4.093 50 10 JIGE O=C(COc1ccccc1Cl)NN=C1C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 1772752435 LRWQGPVPXQAWPY-UHFFFAOYSA-N 454.313 4.440 50 10 JIGE COCCOc1ccc(/C=C(\C#N)C(=O)NC[C@H](c2c(F)cccc2Cl)N2CCCC2)cc1 1866214070 PPNXDWHYVVUCLM-QYAIIROKSA-N 471.960 4.365 50 10 JIGE CC(=O)Oc1ccc(C[C@H](NC(=O)c2cc(C3CC3)on2)C(=O)Nc2ccc(SC#N)cc2)cc1 1867153522 NQFZJDIYEGUVIY-NRFANRHFSA-N 490.541 4.030 50 10 JIGE N#CSc1ccc(Nc2cc(N3CCC(CN4CCOCC4)CC3)nc(-c3cccnc3)n2)cc1 1868565079 HEQZBAPEGKZESJ-UHFFFAOYSA-N 487.633 4.404 50 10 JIGE C[C@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1cscc1Br 1914640346 YOTYHPHZTNWHJH-NSHDSACASA-N 453.221 4.485 50 10 JIGE CC(C)[C@@H](CBr)N(Cc1ccccc1)c1ncnc(O)c1I 1915300487 OMASOWXRSZQGGJ-CYBMUJFWSA-N 476.156 4.213 50 10 JIGE O=C(c1ccc(F)cc1I)N1CC[C@]2(CCC[C@H]2Br)C1 1918942653 YEPDJZBGEOPTIO-UKRRQHHQSA-N 452.105 4.210 50 10 JIGE CS(=O)(=O)C[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923067421 CGDIVPWEKBLKRX-GSVOUGTGSA-N 461.422 4.407 50 10 JIGE CC(C)(C)OC(=O)N1CCN(C[C@H](Br)C(F)(F)F)CCN1C(=O)OC(C)(C)C 1955955036 AEGFMNUVFZESCG-LBPRGKRZSA-N 476.334 4.017 50 10 JIGE Cc1nccc(-n2nc(CBr)c(I)c2C(F)(F)F)c1F 2078916132 PCCHLEQCEZTXMH-UHFFFAOYSA-N 463.998 4.233 50 10 JIGE Cc1cc(Br)ccc1S(=O)(=O)N(C)C[C@H](Br)COCc1ccccc1 2085729800 FAUSBGOIWVFFPN-KRWDZBQOSA-N 491.245 4.358 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CC[C@H]2[C@H](C1)[C@@H]2CBr 2093137008 HHFYOMJXFPWDDK-JLLWLGSASA-N 498.984 4.157 50 10 JIGE CC[C@H]1CC[C@H](NS(=O)(=O)c2ccc(CBr)cc2)CN1C(=O)OC(C)(C)C 2162588373 FJBZJQRCAVMDGQ-HOTGVXAUSA-N 461.422 4.038 50 10 JIGE CC1(C)[C@H](CNS(=O)(=O)c2ccc(CBr)cc2)CCN1Cc1ccccc1 2163184718 AKTTYEIKELNUBH-IBGZPJMESA-N 451.430 4.161 50 10 JIGE CCN([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(CBr)ccc1F 2179787832 UOFKXMOLUCWPHY-SFHVURJKSA-N 455.393 4.006 50 10 JIGE CC1(C)CO[C@H](CO[C@@H](CI)c2ccc(Br)cc2)CO1 2179851352 KFPPTPARJNMKIL-KGLIPLIRSA-N 455.130 4.136 50 10 JIGE O=C(N[C@H]1C[C@H]2CC[C@H]1[C@@H](Br)C2)c1cc(I)ccc1F 2204566572 ZTJWAUHFSCYUSN-JDVFRBCBSA-N 452.105 4.112 50 10 JIGE Cc1ccc(I)c(C(=O)N2C[C@@H](CBr)CC(C)(C)C2)c1 2240919485 DIBATRIDXJLKJB-GFCCVEGCSA-N 450.158 4.483 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@@H](F)C[C@@H](Br)C1 2277924669 DAPMSNIASSKUED-NEPJUHHUSA-N 457.963 4.088 50 10 JIGE COc1ccc(Cl)cc1NC=C1C(=O)N(CCc2ccc(OC)c(OC)c2)C(=O)C(C#N)=C1C 2314579146 KZBPLYSZPLSWPX-UHFFFAOYSA-N 481.936 4.113 50 10 JIGE CC(C)Oc1cccc(C=NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1 2325903153 AOTGXELYIYESOF-HZPDHXFCSA-N 452.580 4.081 50 10 JIGE O=C(N[C@H]1C[C@@H](CBr)[C@H]2C[C@@H]12)c1cc(Br)ccc1Br 2329870102 LOKCHAMTCPROQZ-YTDXRRJTSA-N 451.984 4.361 50 10 JIGE COC(=O)c1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccccc2Br)cc1 3100899 RJBPGOMEAXQAJB-AFUMVMLFSA-N 480.318 4.252 50 10 JIGE C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)COc1ccc(Br)cc1 14038690 IIBASQNAEVRTEA-INIZCTEOSA-N 469.335 4.110 50 10 JIGE CCCOc1ccccc1/C=C(\C#N)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1OC 40949008 XWBVRLCEFIMCSK-XDJHFCHBSA-N 471.579 4.060 50 10 JIGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)CCCOc1ccc(C(C)C)cc1 41018488 ANXDAWHCDSUTMB-HAVVHWLPSA-N 492.572 4.349 50 10 JIGE CC1(C)[C@]2(C(=O)NNC(=O)[C@]34CC[C@](C)([C@H]3Br)C4(C)C)CC[C@@]1(C)[C@@H]2Br 100935764 VBXBDLBJSFSXQO-SSYCLKDWSA-N 490.280 4.313 50 10 JIGE C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1 107577571 UMRAKMPAVJONFM-QFBILLFUSA-N 486.494 4.085 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N[C@H](C)C[C@@H](C)Br)cc1Br 228247301 QVTPJTQGNXWSAD-RKDXNWHRSA-N 478.044 4.360 50 10 JIGE COCCO[C@@H]1[C@@H](Br)C[C@@H]1Oc1ccc(Br)cc1Br 234686519 VHFTXWHJSHHONO-WCFLWFBJSA-N 458.972 4.158 50 10 JIGE C[C@@H](Br)C[C@@H]1CCCCN1C(=O)c1ccc(I)c(O)c1 312442798 XELVCXMNGCTJIO-PWSUYJOCSA-N 452.130 4.165 50 10 JIGE O=C(c1ccc(F)cc1I)N1C[C@H]2C[C@@H](Br)CC[C@H]2C1 398744484 RJSVNPQBDDWSDA-AXFHLTTASA-N 452.105 4.066 50 10 JIGE CN(Cc1ccccc1)CC1CCN(S(=O)(=O)c2cc(CCl)oc2Br)CC1 717498246 KOFVTJOLXOKWOL-UHFFFAOYSA-N 475.836 4.314 50 10 JIGE CC(=NNC(=O)c1ccc(CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1)c1ccc([N+](=O)[O-])cc1 1083875697 PTVOMFWVFGHDNH-UHFFFAOYSA-N 494.573 4.332 50 10 JIGE COCCCNC(=O)c1oc2c(c1C)C(=NNC(=O)Cc1coc3cc(C)cc(C)c13)CCC2 1772751995 QXTAJXAQJIITNR-UHFFFAOYSA-N 465.550 4.117 50 10 JIGE Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccc3c(c2)OCCO3)cc1 1865698556 XKDLTEBIPMGDAF-GOSISDBHSA-N 454.408 4.189 50 10 JIGE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865710219 RAOCUSQOJKICOV-QHCPKHFHSA-N 487.516 4.008 50 10 JIGE O=S(=O)(N[C@@H](CCBr)COCc1ccccc1)c1cscc1Br 1902841039 KTSWNXBGDGKXHA-ZDUSSCGKSA-N 483.247 4.159 50 10 JIGE O=C(N[C@H]1C[C@@H]([C@@H](F)CCl)C1)c1cc(I)ccc1Br 1906510903 VLNNOAXWVJRMOH-VMAXQDLPSA-N 460.512 4.139 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@@H](Br)CC2(CC2)C1 1926030151 OEGNMKNPSRTTMN-VIFPVBQESA-N 498.984 4.443 50 10 JIGE COC[C@](C)(CBr)CNC(=O)c1cc(Br)c(Br)s1 1926989060 DQSSAMNFJBQBNO-LLVKDONJSA-N 464.017 4.051 50 10 JIGE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)C[C@H](CBr)C(C)(C)C 1959577408 ZNPSUILQKGDUDA-INIZCTEOSA-N 480.488 4.395 50 10 JIGE C[C@@H]1CCN(c2ncc(I)cc2Br)[C@@H]1CBr 1988540180 VWEKYXYDMUWXLC-GMSGAONNSA-N 459.951 4.058 50 10 JIGE C[C@@H]1[C@@H](Br)CCN1C(=O)c1ccc(Br)cc1I 2026216073 DCFCQSPAYHPSON-XCBNKYQSSA-N 472.946 4.052 50 10 JIGE BrCc1ccc(Br)cc1-n1cnc2c(I)ncnc21 2121247482 CRKHFAXUMDNBFK-UHFFFAOYSA-N 493.928 4.078 50 10 JIGE O=S(=O)(c1cc(CCl)sc1Br)N1CC[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 2168747800 OKORBIGZFGZLBN-JKSUJKDBSA-N 489.888 4.392 50 10 JIGE FC(F)(F)c1cnc(N2[C@H]3CC[C@@H](C3)[C@H]2CBr)c(I)c1 2178703969 NHIZYYYQWKZMKQ-OVYXKVPISA-N 461.063 4.457 50 10 JIGE Cc1csc(CBr)c1S(=O)(=O)N1C[C@@H](C)CN(Cc2ccccc2)C[C@H]1C 2179816497 RTGZUSOLPXBJCK-DOTOQJQBSA-N 471.486 4.483 50 10 JIGE C[C@@]1(C2CC2)CN(S(=O)(=O)c2ccsc2CBr)CCN1Cc1ccccc1 2179871218 XMTVMACMJQFYHN-FQEVSTJZSA-N 469.470 4.318 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N[C@H]2C[C@](C)(CBr)C2)cc1Br 2180024314 JYMSTAXMQZAZQI-GMZHKTEUSA-N 490.055 4.362 50 10 JIGE CCC[C@@H]1CN(C(=O)Cc2ccccc2I)C[C@H]1CBr 2205684130 QIGLKPDHKKRCDO-ZIAGYGMSSA-N 450.158 4.103 50 10 JIGE Cc1sc(CBr)cc1S(=O)(=O)N1[C@H]2CCC[C@@H]1CN(Cc1ccccc1)C2 2234685683 INJSKSCIZFVVSS-HDICACEKSA-N 469.470 4.379 50 10 JIGE O=C(c1c(F)cccc1I)N1CC2(CCC(Br)CC2)C1 2282797782 ROCMAEPEIYWXCK-UHFFFAOYSA-N 452.105 4.210 50 10 JIGE O=C(NC[C@]1(CBr)CC12CCC2)c1c(F)cccc1I 2282804078 HBVYNJGZYMGSTD-OAHLLOKOSA-N 452.105 4.115 50 10 JIGE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)NCc2ccco2)c1C 2296543513 JFCVEDUONNPRIJ-UHFFFAOYSA-N 454.486 4.228 50 10 JIGE C[C@@H](Br)Cc1cn(Cc2ccc(I)c(Br)c2)nn1 2325220736 BLQWABBXYMNVCJ-MRVPVSSYSA-N 484.961 4.019 50 10 JIGE COC(=O)[C@@H](Br)C1(Oc2cc(Cl)c(C)cc2I)CCC1 2361568664 RKLJTIALJCFXBS-GFCCVEGCSA-N 473.532 4.491 50 10 JIGE COc1ccc(Cl)c2sc(NNC(=O)c3ccc(S(=O)(=O)N4CCCC[C@@H]4C)cc3)nc12 9447724 FVVLUTZEPUXOAW-ZDUSSCGKSA-N 495.026 4.278 50 10 JIGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OC(C)C)cc2)cc1 14039123 BVWVLYBBRIUXJZ-UHFFFAOYSA-N 457.596 4.382 50 10 JIGE COCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)C1=O 38606058 KTKRRJKIOQEQIA-HZHRSRAPSA-N 452.514 4.086 50 10 JIGE C=CCOc1ccc(/C=C2/C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1OCC 38608580 VQVKAUUXPCPHAP-HYARGMPZSA-N 458.514 4.451 50 10 JIGE COc1cc(/C=N/NC(=O)COc2ccc(C)c(Cl)c2)ccc1OCc1ccc(C(=O)O)cc1 59154702 QNVMLIPWQBJHQG-UVHMKAGCSA-N 482.920 4.463 50 10 JIGE C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC 59484818 FPCSFGBRPKWCRD-RIYZIHGNSA-N 458.268 4.476 50 10 JIGE CCO[C@H]1[C@@H](Oc2c(Br)cc([N+](=O)[O-])cc2Br)C[C@H]1Br 229351570 YLFJPFLXEALPOI-JFGNBEQYSA-N 473.943 4.440 50 10 JIGE O=C(NC[C@H]1CCC[C@H]1Br)c1cc(I)ccc1Br 232451421 RLZFWVVWZQXRFE-LDYMZIIASA-N 486.973 4.347 50 10 JIGE CCOc1ccc(Br)cc1C=NNC(=O)c1cccc(I)c1 252610862 IEZAFJPYQYRYTD-UHFFFAOYSA-N 473.108 4.216 50 10 JIGE O=C(NN=Cc1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccc(Br)cc1 252633340 WCVHPSXCBNNCFL-UHFFFAOYSA-N 452.308 4.117 50 10 JIGE COc1ccc(C=NNC(=O)CNc2c(Br)cc(C)cc2Br)cc1OC 254701635 RWJHBEIOMWUCJG-UHFFFAOYSA-N 485.176 4.099 50 10 JIGE O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)NN=Cc1c(O)ccc2ccccc12 254740560 VSYPNZINGMSHII-UHFFFAOYSA-N 480.549 4.487 50 10 JIGE FC(F)(F)c1cnc(N2CCS[C@H](CBr)C2)c(I)c1 719992810 RITKDYUATYAUNQ-MRVPVSSYSA-N 467.092 4.022 50 10 JIGE COc1cc(Cl)ccc1CNC(=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1 730913409 HNBIOTFNNWLLAH-UHFFFAOYSA-N 457.889 4.211 50 10 JIGE O=C(CSCC(=O)Nc1ccccc1)NN=C1C(=O)N(Cc2ccccc2Cl)c2ccccc21 1084080058 QTKLLIXFGVTTOP-UHFFFAOYSA-N 492.988 4.079 50 10 JIGE Cc1ccc(OCC(=O)NNC(=O)c2c[nH]c3cc(Br)c(Br)cc23)cc1C 1087783424 UWUJSVZSXBEBMU-UHFFFAOYSA-N 495.171 4.150 50 10 JIGE Cc1c(C(=O)NNC(=O)c2cccc(Cl)c2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1)CCC2 1772744290 VLLYBYZRINBJHY-UHFFFAOYSA-N 499.354 4.440 50 10 JIGE Cc1c(C(=O)Nc2ccccn2)oc2c1C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772745419 YWDCDCDFNAKZSL-UHFFFAOYSA-N 467.323 4.468 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2Cl)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1865714027 BBUDEQHDJIXKDU-MRXNPFEDSA-N 491.813 4.436 50 10 JIGE COc1ccccc1-c1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)c(C)n1 1865759962 AFUGUTCIAVEXDS-UHFFFAOYSA-N 460.317 4.212 50 10 JIGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2cccc(Cl)c2)sc(C(=O)OCCOC)c1C 1866129806 MJJPAGQWTMZUPV-XNTDXEJSSA-N 476.938 4.236 50 10 JIGE C[C@H](CBr)N(Cc1ccccc1)C(=O)c1ccc(I)c(O)c1 1914225918 BVMUITAFIXGKHE-GFCCVEGCSA-N 474.136 4.423 50 10 JIGE Cc1c(Br)sc([C@H](Br)[C@@H]2CCS2(=O)=O)c1Br 1922931361 BMOYTNXSWPGWEA-CAHLUQPWSA-N 453.015 4.205 50 10 JIGE Nc1ccc(I)cc1C(=O)NN(Cc1ccccc1)Cc1ccccc1 1923843182 ZRNZLKQRNBBJTJ-UHFFFAOYSA-N 457.315 4.221 50 10 JIGE Cc1ccnc(C(=O)N(C)C[C@H](Br)COCc2ccccc2)c1Br 1927093951 ZMTKEGZECOYXCL-HNNXBMFYSA-N 456.178 4.205 50 10 JIGE CN(CC1(CBr)CC1)c1ncc(I)cc1Br 1988538672 VLPWRAQZLONSAC-UHFFFAOYSA-N 459.951 4.060 50 10 JIGE C[C@@H](Br)CCCNC(=O)c1ccc(Br)cc1I 2026218517 QVLBRXOZOGHKRO-MRVPVSSYSA-N 474.962 4.347 50 10 JIGE CS(=O)(=O)c1csc([C@H](Br)c2cccc(I)c2)c1 2032176241 AQIVLXIPIFAKEB-GFCCVEGCSA-N 457.152 4.241 50 10 JIGE O=S(=O)(c1cc(CBr)oc1Br)N(Cc1ccccc1)C[C@@H]1CCCO1 2059265657 YVGAMMADKLGFSF-AWEZNQCLSA-N 493.217 4.307 50 10 JIGE O=C(NC[C@@H](CCl)C1CCC1)c1cc(I)ccc1Br 2089971922 ZMJKXAKZRFWCTK-SNVBAGLBSA-N 456.549 4.439 50 10 JIGE COC[C@@](C)(CCBr)NC(=O)c1ccc(Br)cc1Br 2101777340 NQRMUFYFOKOZAK-CYBMUJFWSA-N 457.988 4.132 50 10 JIGE O=C(N[C@@H]1C[C@H]2C[C@H]1C[C@@H]2Br)c1cc(Br)ccc1I 2104412773 XRLLHQOWKWYAOJ-AOOGTALZSA-N 498.984 4.346 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@@H](Br)CC12CCC2 2155605809 HCZRHRWZLNDLSC-JTQLQIEISA-N 488.039 4.292 50 10 JIGE CCCN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)[C@@H]1CC[C@H](CBr)C1 2179825287 FTFLTWCZJKNSEX-PZJWPPBQSA-N 457.478 4.256 50 10 JIGE O=S1(=O)C[C@H]2[C@@H](C1)[C@@H]2[C@H](Br)c1c(Br)cc(F)c(Cl)c1F 2201620511 BUIZVOBYRQVPGO-BCDWUSSUSA-N 450.526 4.107 50 10 JIGE CCN(C[C@](C)(CI)OC1(C2CCC2)COC1)C(=O)OC(C)(C)C 2250827101 XJQKLEJNNKXLCB-KRWDZBQOSA-N 453.361 4.023 50 10 JIGE C[C@H](Br)COCc1cn(-c2ccc(Br)cc2Br)nn1 2278382986 PXMKVCJNMMKJQU-QMMMGPOBSA-N 453.960 4.092 50 10 JIGE O=C(NCC1CCC(CBr)CC1)c1c(F)cccc1I 2282808365 NFWPJLNCACLCFM-UHFFFAOYSA-N 454.121 4.361 50 10 JIGE Cc1ccc(COC2(CI)CCN(C(=O)OC(C)(C)C)CC2)nc1C 2319114227 DVVYQWLBHZFWKS-UHFFFAOYSA-N 460.356 4.420 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@H]2C[C@@H](CBr)[C@H]2C1 2330495746 LRGXAEXXFBHVLY-YGOYTEALSA-N 498.984 4.157 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CC[C@@H](Br)[C@H]2CC[C@H]21 2333350003 BQOMMHJVVZDRSC-IRUJWGPZSA-N 498.984 4.442 50 10 JIGE CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(C)n(CCc3ccc(OC)cc3)c(=O)c21 2225687 PLEWJQFBGCOXTA-XMMPIXPASA-N 457.530 4.025 50 10 JIGE CCCOc1ccccc1C(=O)NNC(=S)NC(=O)c1ccccc1OCCc1ccccc1 10510975 AWHTYBGPDOCMEV-UHFFFAOYSA-N 477.586 4.046 50 10 JIGE Cc1cc(OCC(=O)NNC(=O)c2ccc(OCCc3ccccc3)cc2)cc(C)c1Cl 14041565 HWRORWFDNGPXNN-UHFFFAOYSA-N 452.938 4.418 50 10 JIGE CCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 14655003 TVMZEYDLTGLREK-UHFFFAOYSA-N 488.382 4.441 50 10 JIGE COc1cc(/C=C(/C#N)c2ccccc2F)ccc1OC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 31901744 MPIFGQFQAJBEQQ-RGEXLXHISA-N 480.517 4.368 50 10 JIGE CNC(=O)/C(C#N)=C1/S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(Br)cc1 33729315 SJXYTMDGBBUKJR-BJMRFWQKSA-N 476.783 4.275 50 10 JIGE Nc1c(NCc2ccccc2Cl)ncnc1NNC(=O)COc1ccc(Cl)cc1Cl 40795587 WSIPSCITDOLWET-UHFFFAOYSA-N 467.744 4.153 50 10 JIGE COc1ccc(Br)cc1/C=N/NC(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 97729891 GBYMUJNCIMYQQA-ZMOGYAJESA-N 497.305 4.382 50 10 JIGE CCOc1cc(/C=N/NC(=O)c2nc(Cl)c(Cl)c(N)c2Cl)cc(Cl)c1OC 169928029 WCNJBGCASIDHDB-GEVRCRHISA-N 452.125 4.449 50 10 JIGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)C(=O)Nc2ccc(OC)cc2)cc1 254408204 NYIPLTKGXNUDKO-UHFFFAOYSA-N 497.555 4.426 50 10 JIGE Cc1nnc(COc2c(Br)cc(Br)cc2CBr)n1C 689506751 WBOXULFMGMVEQE-UHFFFAOYSA-N 453.960 4.122 50 10 JIGE N#CCCn1cc(/C=C(/C#N)C(=O)N2CCN(C(=O)CCC3CCCC3)CC2)c(-c2ccccc2)n1 914471514 HKOZFNKNNKJIQZ-CLCOLTQESA-N 484.604 4.012 50 10 JIGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)NC[C@@H]2CCCC[C@@H]2C(C)(C)C)cc1 920850202 CWQITFAHRUDOON-DUIQXTDPSA-N 491.636 4.310 50 10 JIGE O=C(O)COc1c(Cl)cc(C=NNC(=O)c2cc3ccccc3o2)cc1Br 1083999663 SBZCFKBXDDHKEN-UHFFFAOYSA-N 451.660 4.076 50 10 JIGE C#Cc1cccc(NC(=S)NNC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)c1 1154050467 OYXNQKXNBPJCNZ-UHFFFAOYSA-N 453.523 4.381 50 10 JIGE Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccccc1C(=O)O)C(C#N)=C(N)O2 1865703932 IYRJPSQFJSTWLP-IBGZPJMESA-N 455.301 4.463 50 10 JIGE CC[C@@H](NC(=O)C[C@@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)Nc1ccc(SC#N)cc1 1866735586 LZMCCDJGUSXECG-NHCUHLMSSA-N 465.575 4.448 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@H]2CC[C@@]2(CBr)C1 1903983252 JLLWPIZMFZUJDF-YMTOWFKASA-N 498.984 4.301 50 10 JIGE C[C@@H](Br)C1(NC(=O)c2cc(Br)ccc2I)CC1 1913517647 IELKPOMDCANGKM-SSDOTTSWSA-N 472.946 4.100 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCNC[C@H]1CC(F)(F)CN1C(=O)OC(C)(C)C 1991921399 LXKGAFRSQCIIIU-CQSZACIVSA-N 471.636 4.127 50 10 JIGE CCc1cc(-n2nc(CBr)c(I)c2C(F)(F)F)ccn1 2078929563 MLHCMUFEEWRNPK-UHFFFAOYSA-N 460.035 4.348 50 10 JIGE CS(=O)(=O)c1csc([C@H](Br)Cc2ccccc2I)c1 2093071367 HQURWLUCLXMDSZ-LLVKDONJSA-N 471.179 4.435 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1CC[C@@H]2[C@H](CBr)[C@H]2C1 2093137994 PKNKDHXCTNBBGL-USWWRNFRSA-N 454.533 4.048 50 10 JIGE C[P@]1(=O)C[C@H](Br)[C@H](NC(=O)c2ccc(Br)cc2Br)C1 2121336065 DSPBOIFWRQAHLU-QQKBFRNYSA-N 473.927 4.080 50 10 JIGE C[C@H]1CN(C(=O)c2csc(Br)c2Br)C[C@@H](CCBr)O1 2122789037 KIYFSFDVWSFJLB-JGVFFNPUSA-N 476.028 4.288 50 10 JIGE Cc1csc(CBr)c1S(=O)(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 2123238922 YXFDMFQPAYOIOH-KRWDZBQOSA-N 457.459 4.237 50 10 JIGE C#CC[C@@](C)(CCl)CNC(=O)c1cc(Br)ccc1I 2140724227 GJPMWFXGIZKXSF-AWEZNQCLSA-N 454.533 4.052 50 10 JIGE O=C(NC[C@@]1(CBr)CCCOC1)c1cccc(Br)c1Br 2148752838 PXSWIZLSPPOVQZ-AWEZNQCLSA-N 469.999 4.133 50 10 JIGE O=C(c1ccc(F)cc1I)N1CCC2(CC1)C[C@@H]2CBr 2148911078 WTAZDTNNDUMUSI-SNVBAGLBSA-N 452.105 4.068 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@@H]2CC[C@H](C1)C2Br 2167770643 RLIJSJRYOSDITJ-PHXKMMTBSA-N 488.039 4.006 50 10 JIGE O=C(NCC[C@H]1CCCC[C@@H]1Br)c1cc(I)ccc1O 2179634460 GTXNEYMNWKJKDD-MFKMUULPSA-N 452.130 4.070 50 10 JIGE COCCOCCN(Cc1ccccc1)S(=O)(=O)c1cc(CBr)ccc1Cl 2179785601 OMDOQFSFSQROJS-UHFFFAOYSA-N 476.820 4.089 50 10 JIGE Cn1ncc(-n2c(CCl)nc3c(Br)cc(F)cc32)c1I 2280053618 XPZRXCLFCATVAT-UHFFFAOYSA-N 469.483 4.004 50 10 JIGE Clc1ccc(CN2CCO[C@@H]3C[C@@H](CBr)C[C@H]32)cc1I 2362367615 DUKPXJUHQXQOGY-NILFDRSVSA-N 470.576 4.319 50 10 JIGE O=C1c2ccccc2C(=O)N1CCc1nccn1-c1nc(C(F)(F)F)ccc1CBr 2369885559 OPOHSGQOFGXKEM-UHFFFAOYSA-N 479.256 4.020 50 10 JIGE Cc1cc(OCC(=O)NNC(=O)COc2ccc(Br)cc2C(C)C)ccc1Cl 9231560 GTRZVDOBJAIXSY-UHFFFAOYSA-N 469.763 4.140 50 10 JIGE O=C(COc1ccc(-c2ccccc2)cc1)NNC(=S)NC(=O)Cc1cccc2ccccc12 13982123 VNTKVATXLRIVBQ-UHFFFAOYSA-N 469.566 4.150 50 10 JIGE CCCOc1cccc(C(=O)NNC(=O)COc2ccc3ccccc3c2Br)c1 14641241 GNKLAGXVNGVROX-UHFFFAOYSA-N 457.324 4.231 50 10 JIGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4C)ccc32)cc1 38683597 ZCPQGKLAIXXEKD-SANMLTNESA-N 484.508 4.293 50 10 JIGE CCOC(=O)COc1c(Cl)cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1Cl 58893915 AJARDAJZPGQLIP-SNWZXBDOSA-N 497.375 4.298 50 10 JIGE CCCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)Cn2ccc3ccccc32)cc1 100217883 UABHRRSKUVFNGP-UHFFFAOYSA-N 466.607 4.326 50 10 JIGE Cc1cc(COc2c(Br)cc(Br)cc2Br)oc1C(=O)NN 110555194 YXEOWZHAYKXXPT-UHFFFAOYSA-N 482.954 4.058 50 10 JIGE N#C/C(=C/Nc1ccccc1[N+](=O)[O-])C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216485620 XOEZDKSJZDFGRO-ATJXCDBQSA-N 467.529 4.348 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CCC[C@@H](CBr)C1 232483026 JFWFMWVUHYTBHS-VIFPVBQESA-N 486.973 4.301 50 10 JIGE O=C(CN(Cc1ccccc1)Cc1ccccc1)NN=Cc1cc(Br)ccc1O 254736493 CKUQCHUYICYFGQ-UHFFFAOYSA-N 452.352 4.307 50 10 JIGE O=C(Cl)c1cc(I)c(I)cc1Br 575686835 PNZZJLHNOWFDLE-UHFFFAOYSA-N 471.257 4.037 50 10 JIGE C[C@H]1CN(C(=O)c2ccc(I)c(Cl)c2)C[C@@]1(C)CBr 694707223 INTZDHLADZVXBI-LKFCYVNXSA-N 456.549 4.438 50 10 JIGE BrCc1nnc(-c2cc(I)ccc2Br)s1 708126673 DKRMFKGQZWBKMM-UHFFFAOYSA-N 459.932 4.467 50 10 JIGE C[C@H]1CN(C(=O)c2ccc(I)c(Br)c2)C[C@@H]1CBr 709398426 RCPRBKXHJYCJHT-WPRPVWTQSA-N 486.973 4.157 50 10 JIGE O=S(=O)(c1cc(Cl)c(Br)s1)N1[C@H]2CC[C@H]1CC(CBr)C2 719135956 JCRPXDWRDIZFMH-IUCAKERBSA-N 463.644 4.491 50 10 JIGE Cc1nc(-c2c[nH]c(C(=O)NNC(=O)c3ccccc3OCc3ccc(F)cc3)c2)cs1 730611947 VASMWIZBALOAQI-UHFFFAOYSA-N 450.495 4.240 50 10 JIGE COc1cccc(CNC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)c1OC 914478151 CXCQRCRPSNAMDJ-CPNJWEJPSA-N 475.936 4.358 50 10 JIGE COc1ccc(Cl)cc1N(CC(=O)NN=Cc1sccc1C)S(=O)(=O)c1ccccc1 1084126561 SPPRXDVTLKALNM-UHFFFAOYSA-N 477.995 4.064 50 10 JIGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(C)cc2)cc(Br)c1O 1865689378 QWSPFQAAKRGASI-FQEVSTJZSA-N 481.350 4.243 50 10 JIGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(C)cc2)c(OC)c1 1865708624 ZPJWGLJFGIOODK-GOSISDBHSA-N 456.424 4.435 50 10 JIGE CCCC[C@H](NC(=O)c1cccc(N2CCCC2=O)c1)C(=O)Nc1ccc(SC#N)cc1 1866612257 RDNGIJDHVMSYJZ-NRFANRHFSA-N 450.564 4.314 50 10 JIGE C[C@@H]1CN(Cc2ccc(I)c(Br)c2)C[C@H]1Br 1904343824 MSPGHLMTNHJKPK-LDYMZIIASA-N 458.963 4.269 50 10 JIGE CC(C)[C@H](CBr)CN1CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC1 1955955579 GQECYFQLUGFOSJ-MRXNPFEDSA-N 464.445 4.358 50 10 JIGE CS(=O)(=O)c1csc([C@H](Br)c2ccc(I)cc2)c1 2032178733 OEPHNGYWCREZBG-GFCCVEGCSA-N 457.152 4.241 50 10 JIGE C[C@]1(CBr)C[C@H](NC(=O)c2cc(I)ccc2Br)C1 2059454132 CVSZNZSJUBJHDS-GMZHKTEUSA-N 486.973 4.347 50 10 JIGE O=C(c1csc(Br)c1Br)N1C[C@@H](CBr)OCC12CC2 2127555612 NOQCKJOWMIHDJG-SSDOTTSWSA-N 474.012 4.042 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CC[C@H](CCl)C12CC2 2133824280 CTQXIHFCBNKVAU-SECBINFHSA-N 454.533 4.287 50 10 JIGE O=C(N[C@H]1COC2(CCC2)[C@@H]1Br)c1cc(Br)sc1Br 2141543934 KPDQPWGKCHITOO-IONNQARKSA-N 474.012 4.088 50 10 JIGE O=C(c1ccc(F)cc1I)N1CCC[C@@H](CCBr)CC1 2149747066 ZRIKUVVYHVOPSS-NSHDSACASA-N 454.121 4.458 50 10 JIGE CN(C(=O)c1ccc(F)cc1I)C1(CBr)CCSCC1 2171182035 NEHACSLOVIUAHC-UHFFFAOYSA-N 472.161 4.163 50 10 JIGE CC1(C)CN(Cc2ccccc2)CCN(S(=O)(=O)c2cccc(CBr)c2)C1 2179815816 GSOCRYRGVMGWLE-UHFFFAOYSA-N 451.430 4.114 50 10 JIGE CC[C@@H]1CN(C(=O)Cc2cc(Br)cc(Br)c2)C[C@H]1Br 2277936871 POKDKRDLUJJLQK-ZWNOBZJWSA-N 454.000 4.386 50 10 JIGE BrC[C@]12C[C@H](CCN1c1ncc(I)cc1Br)C2 2299813066 UANLHCAJRRWWAK-LYWQIFSTSA-N 471.962 4.203 50 10 JIGE CC(C)(CI)CN1C[C@H](CNC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 2306818976 POSUDESZCPDKAQ-NWDGAFQWSA-N 464.310 4.083 50 10 JIGE CCN(C[C@](C)(CI)OC[C@]12C[C@H](CO1)C2(C)C)C(=O)OC(C)(C)C 2313355868 HMHNARZEAOUNJP-CCKFTAQKSA-N 467.388 4.269 50 10 JIGE COC(=O)c1ccccc1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1=O 2331281219 VDIDDIIOEYXCOD-HNNXBMFYSA-N 490.497 4.351 50 10 JIGE Clc1ccc(CN2C[C@@H](CBr)OCC23CC3)c(I)c1 2341043533 QLJZFKNCEQDFAZ-GFCCVEGCSA-N 456.549 4.073 50 10 JIGE COCCO[C@@H]1[C@@H](Br)C[C@@H]1Oc1cc(Cl)c(C)cc1I 2361690596 VAUBTAWZNUDPMV-QCZZGDTMSA-N 475.548 4.199 50 10 JIGE Cn1nc(Br)c(Br)c1C(=O)N(CCBr)Cc1cccs1 2364229552 BRHROXBPSOXRSH-UHFFFAOYSA-N 486.027 4.044 50 10 JIGE Cc1ccc(-c2nnc(SCC(=O)NNC(=O)c3ccc(F)cc3)n2-c2ccc(C)cc2)cc1 10263576 NAEMTLYDMGPHLM-UHFFFAOYSA-N 475.549 4.244 50 10 JIGE CCOc1ccc(O[C@H](C)C(=O)NNC(=O)/C=C/c2ccc(Cl)c(C(F)(F)F)c2)cc1 14864373 UNZVQLOPWNQXCE-HQIZRNBFSA-N 456.848 4.386 50 10 JIGE O=C(N/N=C/c1cc(Br)ccc1O)c1cccc(NC(=O)c2ccc(F)cc2)c1 27520067 IGULAWMOHKGUKP-WYMPLXKRSA-N 456.271 4.310 50 10 JIGE COc1ccccc1/C=C(\C#N)C(=O)Oc1ccc(/C=C(\C#N)C(=O)NCc2ccccc2)cc1OC 40870029 CHISHYKHNSMENG-XYVQYNESSA-N 493.519 4.440 50 10 JIGE CC[C@@H](Br)CCNS(=O)(=O)c1cc(Br)c(C)cc1Br 135166451 HGORWBLVQZMGPM-SECBINFHSA-N 478.044 4.362 50 10 JIGE COCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c(C)c2)C1=O 214284320 QZTJUXONDNRMAA-HAHDFKILSA-N 482.540 4.095 50 10 JIGE CC[C@@](C)(CCBr)NS(=O)(=O)c1cc(Br)ccc1Br 228585775 WJHFJSUVUCHUGR-LBPRGKRZSA-N 478.044 4.444 50 10 JIGE CCOC(=O)c1c(NC(C)=O)sc2c1CCCC2=NNC(=O)c1ccccc1Br 252590160 AQAKXNRNRNWBDZ-UHFFFAOYSA-N 478.368 4.116 50 10 JIGE N#Cc1c(NC(=O)C(=O)NN=Cc2cccc(OCc3ccccc3)c2)sc2c1CCCC2 254736150 HGCPUJJXGOWFPF-UHFFFAOYSA-N 458.543 4.166 50 10 JIGE Cc1cc(C=NNC(=O)CC(=O)NC2CCCCC2)c(C)n1-c1cccc(Br)c1 725401059 GLKHLXRHIODWSO-UHFFFAOYSA-N 459.388 4.146 50 10 JIGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(OC)c(OCC)cc2Br)cc1 725420906 CDYDCYUPCQTDOA-IBGZPJMESA-N 479.371 4.219 50 10 JIGE O=C(NN=Cc1cc(Br)cc(Br)c1O)C(F)(F)C(F)(F)C(F)(F)F 1083909214 OBXQLTGHIFEYJN-UHFFFAOYSA-N 489.967 4.200 50 10 JIGE O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NN=Cc1ccc(Cl)cc1 1084073755 KQEDDZVUBMMMCP-UHFFFAOYSA-N 490.412 4.377 50 10 JIGE COc1ccc(N(CC(=O)NN=C(C)c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1 1084269627 XBIGRWCPOCLJGX-UHFFFAOYSA-N 471.966 4.084 50 10 JIGE C=CCN1/C(=N/NC(=O)c2ccc3c(c2)OCCO3)S[CH][C@@H]1c1cccc(Br)c1 1616088102 VPOCLUMTUSPVJM-PJXFJRINSA-N 473.372 4.359 50 10 JIGE COc1ccc(NC(=O)[C@H](C)Oc2cccnc2NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 1858685216 IQXMQRDBKQMYKO-AWEZNQCLSA-N 452.423 4.015 50 10 JIGE Cc1ccn2c(C(=O)N/N=C3\C(=O)N(Cc4ccccc4Cl)c4ccccc43)c(C)nc2c1 1860823227 YTJCCAUVRPVFCE-SLMZUGIISA-N 457.921 4.285 50 10 JIGE Cc1ccc(-c2ccc(C(=O)NNC(=O)c3ccccc3I)c(C)n2)cc1 1865757840 XFMSHRRZTZUHRY-UHFFFAOYSA-N 471.298 4.045 50 10 JIGE N#CC(=Cc1ccc(C=C(C#N)c2nnc3n2CCCCC3)cc1)c1nnc2n1CCCCC2 2040447381 SLRHIDIWLYJMLW-UHFFFAOYSA-N 450.550 4.451 50 10 JIGE CCOC(=O)Cc1cc(I)cc(OC(F)(F)F)c1CBr 2055275799 OTDKFRSWGZOHPJ-UHFFFAOYSA-N 467.019 4.190 50 10 JIGE FC(F)Oc1ccc(I)c(I)c1CBr 2060286635 CRNMSYDTAYYJHE-UHFFFAOYSA-N 488.835 4.392 50 10 JIGE CCN(C[C@](C)(CI)O[C@H]1C[C@H](n2cccn2)C1)C(=O)OC(C)(C)C 2063775897 MSFHZQOWLWXDOH-MPGHIAIKSA-N 463.360 4.054 50 10 JIGE CC1(C)CN(C(=O)c2cccc(Br)c2Br)C[C@@H](CBr)O1 2148771817 VNUOECLUOAJGMS-SECBINFHSA-N 469.999 4.226 50 10 JIGE C[C@H]1C[C@H](N(C)S(=O)(=O)c2cc(CCl)ccc2Br)CN1Cc1ccccc1 2154839539 KKUAHSMWVNODNQ-YJBOKZPZSA-N 471.848 4.471 50 10 JIGE CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)[C@H](Br)C2CCCC2)C(F)(F)CC1 2167032232 MBVORVFJJISERC-HUUCEWRRSA-N 453.368 4.339 50 10 JIGE Cc1c(CBr)cccc1S(=O)(=O)N(C)C[C@H]1CCN(Cc2ccccc2)C1 2179795643 UMSRVADVQKHASD-LJQANCHMSA-N 451.430 4.033 50 10 JIGE C[C@@]1(C2CC2)CN(S(=O)(=O)c2csc(CBr)c2)CCN1Cc1ccccc1 2179813266 VUYJRKDKZBQYKP-FQEVSTJZSA-N 469.470 4.318 50 10 JIGE CN(Cc1nn(C)nc1Br)c1cc(Br)cc(F)c1CBr 2235263903 ARGXVLOWZAZEHG-UHFFFAOYSA-N 470.966 4.011 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1C[C@H]2C[C@H]1CC[C@@H]2Br 2268348119 UAGZFFNBZOAFJV-MXWKQRLJSA-N 454.533 4.333 50 10 JIGE O=S(=O)(NCC1(CBr)CC(F)(F)C1)c1cc(Cl)c(Br)s1 2281659658 GLIQSOCOEHAOPQ-UHFFFAOYSA-N 473.586 4.253 50 10 JIGE Cc1cccn2c(=O)c(C=C(C#N)c3nc4ccccc4s3)c(N3C[C@H](C)O[C@H](C)C3)nc12 2296731222 GETLLNHZFWYCMM-CALCHBBNSA-N 457.559 4.290 50 10 JIGE O=C(NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=Cc1ccccc1O)NC(=O)c1ccccc1 2296733645 SFWBHLYJZNERSI-UHFFFAOYSA-N 496.479 4.482 50 10 JIGE COCCOc1ccc(C=C(C#N)C(=O)N[C@H]2CCCc3c2c(C)nn3Cc2ccccc2)cc1 2331118955 OZNWTDQBQUVJPW-VWLOTQADSA-N 470.573 4.366 50 10 JIGE CC(C)(C)c1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCCOc3ccccc3)cc2)cc1 14039708 LXLFNOVXEHTDIO-UHFFFAOYSA-N 491.613 4.391 50 10 JIGE COc1ccc(CNc2ccc(C#N)cc2Nc2ncc([N+](=O)[O-])c(SC#N)n2)c(OC)c1 71973808 WEFUTXLXLCLWGK-UHFFFAOYSA-N 463.479 4.203 50 10 JIGE C[C@@H]1CN(S(=O)(=O)c2cc(Br)ccc2Br)CC[C@@H]1Br 167877050 OXVWXJYNZYPKDW-SCZZXKLOSA-N 476.028 4.006 50 10 JIGE CC[C@H](NC(=O)/C(C#N)=C\Nc1cc(C(=O)OC)ccc1C(=O)OC)c1ccc2c(c1)CCCC2 217190851 NQJPURPUDLFRJU-ODFZLOHPSA-N 475.545 4.225 50 10 JIGE O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)NN=Cc1cc([N+](=O)[O-])ccc1Cl 252616397 KADBNQISHIHDLK-UHFFFAOYSA-N 493.936 4.133 50 10 JIGE COc1ccc(OC)c(C=NNC(=O)c2cc(-c3cccc(OCc4ccccc4)c3)n[nH]2)c1 254391970 HQMHIJCIACLFHV-UHFFFAOYSA-N 456.502 4.437 50 10 JIGE CC[C@@H](Br)CCCNS(=O)(=O)c1cc(Br)ccc1Br 398559862 LBOICQKJQWJWMI-SECBINFHSA-N 478.044 4.444 50 10 JIGE COCc1cc(Br)c([C@H](Cl)c2cnn(C)c2I)s1 710919433 ROQJGUZNSZHREA-SECBINFHSA-N 461.550 4.323 50 10 JIGE CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@](C)(C(=O)OC)c2cccc(Br)c2)c1C 730990932 CPZMYKHCNFIADG-QRKROWPFSA-N 472.383 4.389 50 10 JIGE N#CCCn1cc(/C=C(\C#N)C(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)c(-c2ccccc2)n1 914467390 FYWMYVRBXQEQQY-RELWKKBWSA-N 493.571 4.183 50 10 JIGE C=CCOc1c(CC=C)cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1OC 1084040190 ZQMDSXGORNSWKV-HSZRJFAPSA-N 452.551 4.351 50 10 JIGE C#Cc1ccc(NC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(OC)c(OC)c2)cc1 1558728091 OENCDTYEABEGRR-XSFVSMFZSA-N 451.486 4.008 50 10 JIGE C[C@@H]1C[C@H](Br)[C@H](Br)C[C@@H]1[C@@H](Br)C(Br)=[N+]([O-])O 1615947804 JUPMDFYGLRIECU-DWOUCZDBSA-N 486.824 4.016 50 10 JIGE CCN(CC)Cc1ccc(/C=N/NC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)cc1 1860772810 HRKSHDWDGHEHNA-CCVNUDIWSA-N 473.602 4.117 50 10 JIGE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1cc(OC)c(OC)cc1OC)C(C#N)=C(N)O2 1865711850 JBFWZGHJLLIUKS-JOCHJYFZSA-N 480.952 4.391 50 10 JIGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1cc(OC)c(O)c(OC)c1)C(C#N)=C(N)O2 1865714506 LZDDIEJUWPXUGK-HSZRJFAPSA-N 474.561 4.442 50 10 JIGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1cc(OC)c(O)c(OC)c1)C(C#N)=C(N)O2 1865714514 MEQKTJZESRULAA-NRFANRHFSA-N 480.952 4.478 50 10 JIGE COc1cc(C(=O)NNC(=O)c2ccc(SCC(C)C)cc2)c(Br)c(OC)c1OC 1865758344 WBMQGHDBXDMHJF-UHFFFAOYSA-N 497.411 4.298 50 10 JIGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)c2cc(-c3cccnc3)on2)cc1 1867165496 ZSAUBMNFKLJBGV-OAQYLSRUSA-N 487.516 4.429 50 10 JIGE CC(C)(NC(=O)c1cc(C2CC2)n2nc(C3CC3)cc2n1)C(=O)Nc1ccc(SC#N)cc1 1867176196 MIUGLOLTRSBYSJ-UHFFFAOYSA-N 460.563 4.204 50 10 JIGE CN(CC1CC(Br)C1)[C@H](CN)c1ccc(Br)c(Br)c1 1887901896 SWBXOEIZJJBPIV-PFMWSLTASA-N 455.032 4.317 50 10 JIGE CCN(C[C@@](C)(CI)OC[C@@H](C)N(CC)CC)C(=O)OC(C)(C)C 2007011390 RFEGVXYOVHQSPA-CRAIPNDOSA-N 456.409 4.184 50 10 JIGE CCN1CC[C@H]([C@@H](Br)c2cc(Br)sc2Br)S1(=O)=O 2029062416 RGYOGRAXHJEYLO-APPZFPTMSA-N 482.057 4.133 50 10 JIGE O=C(CBr)c1cc(Br)c(I)cc1Br 2054855155 IZYDQNJAWYQWHM-UHFFFAOYSA-N 482.735 4.394 50 10 JIGE C[C@H](Br)[C@@H]1CCN(C(=O)c2ccc(Br)cc2I)C1 2086140078 XQPJSBAYLLRAPW-DTWKUNHWSA-N 486.973 4.299 50 10 JIGE C[C@H]1CCCN(C(=O)Cc2ccccc2I)[C@@H]1CCBr 2143871995 ATLMSXGLURXTOF-SWLSCSKDSA-N 450.158 4.246 50 10 JIGE O=C(NC[C@@H]1CCCC[C@@H](Br)C1)c1cc(I)ccc1O 2163745124 FEVLPJFCBZGSEO-GHMZBOCLSA-N 452.130 4.070 50 10 JIGE O=C(NC[C@@H]1CCCC[C@H]1CBr)c1cc(I)ccc1F 2169661807 HPNIUUCRDDPRBM-QWRGUYRKSA-N 454.121 4.361 50 10 JIGE O=S(=O)(Cc1cccc(CBr)c1)N1CC2(CC(OCc3ccccc3)C2)C1 2179775787 OENUMEMHYBLFAG-UHFFFAOYSA-N 450.398 4.093 50 10 JIGE Brc1cc(Br)cc(C[C@H](Br)[C@@H]2CO[C@@H]3COC[C@@H]32)c1 2277967221 ZBEGKYLGWCRDEZ-YIYPIFLZSA-N 454.984 4.179 50 10 JIGE N#CC(=Cc1c(Oc2ccccc2)nc2ccccn2c1=O)S(=O)(=O)c1ccc(Cl)cc1 2296543613 QSZLIYLHHYXLRD-UHFFFAOYSA-N 463.902 4.479 50 10 JIGE COc1ccc(Br)cc1C=NNC(=O)C(=Cc1cccs1)NC(=O)c1ccccc1 2297707895 WTGLECVHNQOUHE-UHFFFAOYSA-N 484.375 4.440 50 10 JIGE CCN(C[C@@](C)(CI)O[C@H]1CC[C@@H]2[C@H]1C2(F)F)C(=O)OC(C)(C)C 2298193440 NEUHJNMMEDQNHS-OQMKEHIESA-N 459.315 4.497 50 10 JIGE Cc1cc2c(cc1Br)NC(=O)/C2=N\NC(=O)c1ccc(NC(=O)c2ccccc2)cc1 13982150 POJXKZRAHIPGQX-UHFFFAOYSA-N 477.318 4.096 50 10 JIGE COc1ccc(C(=O)NNC(=O)c2ccccc2OCc2ccccc2)cc1Br 14030779 QGMFFEAFNYZYPV-UHFFFAOYSA-N 455.308 4.112 50 10 JIGE CCOC(=O)C1=C(c2ccc(OC)cc2)OC(N)=C(C#N)[C@@H]1c1cccc(OCC)c1OCC 35576503 GHEFWLFEFPJBLQ-NRFANRHFSA-N 464.518 4.275 50 10 JIGE O=C(N/N=C1\C(=O)N(CCc2ccccc2)c2ccc(Br)cc21)c1ccc([N+](=O)[O-])cc1 59148089 DWNKRJFHFGZPOP-DAFNUICNSA-N 493.317 4.081 50 10 JIGE Cc1cccc(C(=O)N/N=C2\C(=O)N(CCc3ccccc3)c3ccc(Br)cc32)c1 59153287 WSKMVXXDEKYUSB-ROMGYVFFSA-N 462.347 4.481 50 10 JIGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\Nc3cccc(C(F)(F)F)c3)C2=O)cc1 101234954 ZKMMIMMWCLZGBL-KGENOOAVSA-N 455.436 4.461 50 10 JIGE O=C(NC[C@H]1CCC[C@@H]1CBr)c1cc(Cl)ccc1I 236066565 RAPLAGQGSJYREW-NXEZZACHSA-N 456.549 4.486 50 10 JIGE CCN1C(=O)C(=NNC(=O)COc2cc(Cl)ccc2Cl)c2cc(Br)ccc21 254391285 SDYDHWUZZDHQFL-UHFFFAOYSA-N 471.138 4.022 50 10 JIGE COc1ccc(OC)c(C=NNC(=O)CSc2nnc(SCc3ccc(C)cc3)s2)c1 254512737 RRTXTWIVJHKTSK-UHFFFAOYSA-N 474.633 4.398 50 10 JIGE COc1ccc(-n2c(SCC(=O)NN=C/C=C/c3ccccc3)nc3ccccc3c2=O)cc1 254615312 GJPMWYPIVWYRCA-HOISZKDLSA-N 470.554 4.302 50 10 JIGE COC(=O)c1c(NC(=O)NN=Cc2cc(Br)c(O)c(OC)c2)sc2c1CCCC2 256017358 IHDMVBXCILQCLO-UHFFFAOYSA-N 482.356 4.046 50 10 JIGE CO[C@@H]1[C@@H](Cl)C[C@H]1Oc1c(I)cc(Cl)cc1I 310426983 QCFBPWDZNPQJHH-WQGWLQIFSA-N 498.913 4.323 50 10 JIGE COc1cc(Br)c([C@H](Cl)c2cnn(C)c2I)cc1OC 381926096 QARJDQMRMZTDRD-LBPRGKRZSA-N 471.520 4.133 50 10 JIGE O=S1(=O)CCC[C@H]1[C@H](Br)c1cc(Br)c(Br)s1 694698974 ICAOQZPPGBHZPL-JGVFFNPUSA-N 453.015 4.286 50 10 JIGE CCC(CCl)(CCl)NC(=O)c1ccc(I)c(Br)c1 721616414 UJBAZFRHQALVGE-UHFFFAOYSA-N 464.956 4.410 50 10 JIGE COCc1ccc(CNC(=O)COC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(F)cc3)c2C)cc1 918957033 HZLTWSMMOVFDJB-YDZHTSKRSA-N 475.520 4.146 50 10 JIGE O=C(NN=Cc1cc(Br)ccc1O)/C(=C/c1ccccc1)NC(=O)c1ccccc1 1082990321 HTJKXSWNESBWJC-SPUIFBAYSA-N 464.319 4.076 50 10 JIGE Cc1cc(C=NNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(Cl)c(Cl)c1 1084622503 SZYLIOSQNIUTST-UHFFFAOYSA-N 474.304 4.398 50 10 JIGE C#CCN([C@@H]1CCOc2ccc(Br)cc21)S(=O)(=O)c1ccc(CCl)cc1 1561260563 HUQWAMVOUAIJNN-GOSISDBHSA-N 454.773 4.336 50 10 JIGE Cc1c(C(=O)NNC(=O)c2ccccc2Cl)oc2c1C(=NNC(=S)Nc1ccccc1)CCC2 1772751366 PZIBPKSCRMPWQA-UHFFFAOYSA-N 495.992 4.343 50 10 JIGE Cc1ccc(OCC(=O)NN=Cc2cc(Br)cc([N+](=O)[O-])c2O)c(C(C)(C)C)c1 1772752543 ZPDZEVZUCZGQHT-UHFFFAOYSA-N 464.316 4.198 50 10 JIGE N#CSc1ccc(NC(=O)Nc2ncccc2OCC(=O)Nc2ccc3c(c2)OCO3)cc1 1858863372 TTXPPONPUFICRU-UHFFFAOYSA-N 463.475 4.045 50 10 JIGE CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1cc(Br)c(O)c(OC)c1)C(C#N)=C(N)O2 1865688919 FOYAIULJIJJWTF-LJQANCHMSA-N 499.340 4.328 50 10 JIGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1cccc(OC)c1OCC)C(C#N)=C(N)O2 1865692421 FORPPXUXTYNHHM-QFIPXVFZSA-N 460.534 4.459 50 10 JIGE N#CSc1ccc(NC(=O)[C@@H](NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)c2ccccc2)cc1 1866870741 PYCFZSKGIUZSPN-CYFREDJKSA-N 470.554 4.109 50 10 JIGE O=C(N[C@H](CCCl)C(F)(F)F)c1cc(Br)ccc1I 1918575465 KRGVDSGZNLAKMS-SECBINFHSA-N 470.454 4.343 50 10 JIGE CCOC(=O)C12CC(CI)(C1)O[C@@H]2c1cccc(OC(F)(F)F)c1 2049395537 JWSJDJFNAGSEOJ-LRVUVFPRSA-N 456.198 4.174 50 10 JIGE O=S(=O)(c1ccc(Br)c(CBr)c1)N(Cc1ccccc1)[C@H]1CCOC1 2059390444 OLNATHUPBBFCGI-INIZCTEOSA-N 489.229 4.324 50 10 JIGE Cc1cc(S(=O)(=O)N[C@H](C)CCCCCI)sc1Br 2117896205 YSTXOEDQSPLDFR-SNVBAGLBSA-N 480.231 4.481 50 10 JIGE CCn1cnnc1CC(CBr)(CBr)c1ccc(Br)cc1 2153667812 UHUCFIYLJFMSBD-UHFFFAOYSA-N 466.015 4.331 50 10 JIGE O=S(=O)(c1cc(CBr)sc1Br)N1CC[C@H](CC(F)F)C1 2179787751 TXZOPWYGFCWLGC-SSDOTTSWSA-N 453.168 4.071 50 10 JIGE COCCCN(Cc1ccccc1)S(=O)(=O)c1ccc(OCCCBr)cc1 2179827890 JYHRZMKSGBDIGN-UHFFFAOYSA-N 456.402 4.078 50 10 JIGE Cc1cc(C)c(S(=O)(=O)N2CC[C@@H](COCc3ccccc3)C2)cc1CBr 2179859576 GJFBHWOPNUIHPG-LJQANCHMSA-N 452.414 4.426 50 10 JIGE FC[C@]12C[C@]([C@H](Br)c3cc(I)cc4c3OCC4)(CO1)C2 2202644384 CRKCTPVCTYIJDC-RBSFLKMASA-N 453.089 4.181 50 10 JIGE O=C(NC[C@@H]1CCC[C@@H](CBr)C1)c1c(F)cccc1I 2282810530 WUWMFEXHFOPBJV-GHMZBOCLSA-N 454.121 4.361 50 10 JIGE COc1ccc([C@@H](Br)c2cscc2S(C)(=O)=O)cc1I 2288502367 GKLBFJXBEZXMNA-CYBMUJFWSA-N 487.178 4.249 50 10 JIGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2Cl)C(=O)NN=Cc2ccc(O)cc2)cc1 2297321198 YUBKMNVYANIHLW-UHFFFAOYSA-N 462.937 4.033 50 10 JIGE Brc1cc(I)cnc1N1C[C@H]2CC[C@H]1[C@@H](Br)C2 2306272525 BIBQQFANQOYOFL-ARENWVFISA-N 471.962 4.201 50 10 JIGE CCOc1ccc(N2C(=O)[C@H](Cc3cccc(C(F)(F)F)c3)SC2=C(C#N)C(=O)NC)cc1 2314593569 PJVBHIIECAQWEA-IBGZPJMESA-N 475.492 4.276 50 10 JIGE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NN=Cc1ccc(OC(=O)c2ccco2)cc1 2328796828 USGMQXCMCIBANP-NRFANRHFSA-N 477.517 4.085 50 10 JIGE C[C@@H]1CN(Cc2ccc(Cl)cc2I)C[C@H](CCBr)O1 2341011044 KOTPUDJOUPOZLO-MFKMUULPSA-N 458.565 4.319 50 10 JIGE C[C@@H](Cl)C[C@@H]1CCCCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364194001 AMHDPUKUMMRZIL-MSOLQXFVSA-N 455.020 4.045 50 10 JIGE Cc1c(CBr)cccc1NC(=O)c1c(Br)c(Br)nn1C 2364231318 XNLQZQSEBDOHLI-UHFFFAOYSA-N 465.971 4.401 50 10 JIGE CC[C@H](C)c1ccccc1O[C@@H](C)C(=O)NNC(=O)COc1ccc(Br)c(C)c1 9873070 CIPZIFZGJKJRPS-HOCLYGCPSA-N 463.372 4.265 50 10 JIGE N#CC1=C(N)N(N2CCOCC2)C2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccccc1Cl 27551820 VYEJNJIHCGNTSY-HOYKHHGWSA-N 460.965 4.081 50 10 JIGE COc1cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cc(I)c1OC(C)=O 33344060 XKAFOWSGQDTRDN-PXNMLYILSA-N 490.297 4.388 50 10 JIGE CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc([N+](=O)[O-])cc3)ccc21 38650475 IDQDFCFZBBKPCP-HSZRJFAPSA-N 457.442 4.431 50 10 JIGE COc1ccc(OCCCC(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2OC)cc1 206489341 QBSDOZJVWBQWSW-HKWRFOASSA-N 490.512 4.285 50 10 JIGE COc1cccc(CCN/C=C(/C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 216510181 FSRYBMLLYBETHA-VYIQYICTSA-N 480.612 4.169 50 10 JIGE COc1cccc(C=NNC(=O)CSc2nnc(SCc3ccc(C)cc3)s2)c1OC 254501730 SUPTYZULHHZZHO-UHFFFAOYSA-N 474.633 4.398 50 10 JIGE CC[C@@H](NC(=O)c1cc(Br)ccc1I)[C@H](C)Br 386746681 ZTXFKEFLUYMYBN-WRWORJQWSA-N 474.962 4.346 50 10 JIGE O=C(Cl)c1cc(Br)cc(I)c1I 575684354 ARJXSUAJPCEEPE-UHFFFAOYSA-N 471.257 4.037 50 10 JIGE C[C@H](CBr)[C@@H]1CCCCN1C(=O)c1cc(I)ccc1O 696715412 WXMLFWZCZYWEBR-MFKMUULPSA-N 452.130 4.023 50 10 JIGE Cc1ccc(N(CC(=O)NN=Cc2cc(Br)c(C)o2)S(=O)(=O)c2ccccc2)cc1 1084014814 WDUDHEIRADTLCP-UHFFFAOYSA-N 490.379 4.005 50 10 JIGE C/C(=C\c1ccc(OC(F)(F)F)cc1)C(=O)NNc1nc(-c2ccccn2)nc2c1CCC2 1641273236 SHTZGFYCQZKVQC-BUHFOSPRSA-N 455.440 4.473 50 10 JIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)cc(OC)c1O 1865715147 XDLNKNHZGPLWCE-QGZVFWFLSA-N 490.413 4.030 50 10 JIGE CCc1ccc(-c2ccc(C(=O)NNC(=O)[C@H]3CC(=O)N(c4c(C)cccc4CC)C3)c(C)n2)cc1 1865758476 CHOAZNUWPOVWNM-QHCPKHFHSA-N 484.600 4.304 50 10 JIGE CC[C@](C)(NC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C)C(=O)Nc1ccc(SC#N)cc1 1867205878 NKAZSQODZAFYOR-DEOSSOPVSA-N 450.564 4.051 50 10 JIGE CN(C[C@H]1C[C@H](Br)C1)C(=O)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2020191874 DJKGIVJOEPWUTB-SKPFHBQLSA-N 495.458 4.462 50 10 JIGE N#CC(=C1C(=O)N(Cc2ccccc2)c2ccccc21)c1nnc(N2CCOCC2)n1-c1ccccc1 2053589818 XUSUSWJLQQAANQ-UHFFFAOYSA-N 488.551 4.085 50 10 JIGE C[C@@H](NC(=O)c1ccc(Br)cc1I)C1(CBr)CC1 2086151501 OTUICEIXPWCXAB-MRVPVSSYSA-N 486.973 4.347 50 10 JIGE O=C(NCC1(F)CC(CCl)C1)c1cc(Br)ccc1I 2112251742 VLHCOCFRLXQVLV-UHFFFAOYSA-N 460.512 4.141 50 10 JIGE O=C(NC[C@]1(F)C[C@H](CCl)C1)c1cc(Br)ccc1I 2112255337 VLHCOCFRLXQVLV-XCSCGOTBSA-N 460.512 4.141 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H]2C[C@H](CBr)[C@@H]2C1 2117683989 UHDJDBDKXJJUNG-VWYCJHECSA-N 498.984 4.157 50 10 JIGE CN(C[C@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(CBr)s1 2123243710 NIKFOVWMHPKZJN-QGZVFWFLSA-N 457.459 4.176 50 10 JIGE O=C(c1cc(Br)sc1Br)N1CC[C@]2(C[C@H](Br)CO2)C1 2137134824 VIKIIOJPDRVYDW-MADCSZMMSA-N 474.012 4.042 50 10 JIGE CC[C@@H](Br)[C@@H]1CCCCN1C(=O)Cc1ccccc1I 2170600368 LLQXKIGJPHWFLV-HIFRSBDPSA-N 450.158 4.388 50 10 JIGE CC1(C)C[C@@H](CBr)CN(C(=O)Cc2ccccc2I)C1 2172575944 WHDUTDSBXANVKC-LBPRGKRZSA-N 450.158 4.103 50 10 JIGE CC(C)(C)OC(=O)NCC(F)(F)[C@H]1CCCCN1C(=O)[C@H](Br)C1CCCC1 2185170882 WXAGCNZDHORKGX-HUUCEWRRSA-N 453.368 4.481 50 10 JIGE Cc1c([C@H](Cl)c2cc(I)cc3c2OCC3)c(Br)nn1C 2188147288 LXSIVIFVNNRNHJ-GFCCVEGCSA-N 467.532 4.359 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1CC[C@H](C(F)(F)CBr)C1 2197761352 BQMIWICFOVYBOB-VIFPVBQESA-N 478.502 4.437 50 10 JIGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)Nc1ccc(Cl)cc1CBr 2223200776 SSVKESZFYGIDJO-UHFFFAOYSA-N 485.787 4.053 50 10 JIGE O=S(=O)(c1ccc(CBr)s1)N1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 2226350527 PSBZACYXDVLUSV-CALCHBBNSA-N 455.443 4.071 50 10 JIGE CN(C[C@@H]1C[C@H]1Br)C(=O)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229137067 XNNJRESWIYIKTJ-NUEKZKHPSA-N 490.236 4.127 50 10 JIGE O=C(c1scc(Br)c1Br)N1C[C@H]2OCCC[C@]2(CBr)C1 2239158095 QPDFHEWZSCZZNF-RNCFNFMXSA-N 488.039 4.289 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1[C@H]2CC[C@@H]1C[C@@H](Br)C2 2268352681 PTDAIWGAPNKUER-RTCCRHLQSA-N 454.533 4.475 50 10 JIGE C[P@]1(=O)C[C@@H](Br)[C@H](NC(=O)Cc2cc(Br)cc(Br)c2)C1 2295312094 SZNUAPMVNQXRHP-HTGLOVNISA-N 487.954 4.009 50 10 JIGE COc1ccc(-n2c(C)cc(C=C(C#N)C(=O)NC[C@@H](c3cccs3)N3CCOCC3)c2C)cc1 2297372311 NRDZRWTUUGKGJE-VWLOTQADSA-N 490.629 4.261 50 10 JIGE CC(C)c1ccc(C=CC(=O)NNC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)cc1 2318792747 XVMWIVDMAIRGFC-UHFFFAOYSA-N 472.570 4.109 50 10 JIGE O=S(=O)(Cc1ccc(Br)cc1)N[C@H](CCBr)COCc1ccccc1 2320407181 YDUGZXWSWXNIBO-GOSISDBHSA-N 491.245 4.239 50 10 JIGE CO[C@@H]1C[C@@H](CBr)N(Cc2ccc(I)c(Br)c2)C1 2325213741 VNFNWEHZCKZJRL-WDEREUQCSA-N 488.989 4.038 50 10 JIGE O=C(c1cccc(Br)c1Br)N1C[C@H]2C[C@H](CBr)[C@H]2C1 2330496332 LZAOPXNGTNQNGI-FXPVBKGRSA-N 451.984 4.315 50 10 JIGE O=C(c1ccc(I)cc1)N1CCC[C@@H](Br)[C@H]1C(F)(F)F 2370236757 AUJAZLMXNUMVOU-MNOVXSKESA-N 462.047 4.222 50 10 JIGE C[C@H](Oc1ccc(Cl)cc1)C(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 14007501 MGFJSVCONKHHCE-ZDUSSCGKSA-N 483.790 4.394 50 10 JIGE O=C(COc1cccc2ccccc12)NNC(=O)c1ccc(OCCOc2ccccc2)cc1 14039509 GAQHFVMDJKHYMZ-UHFFFAOYSA-N 456.498 4.138 50 10 JIGE CCCOc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(OCc3ccccc3)cc2)c1 14641663 KCTOMMYFAVGEKH-UHFFFAOYSA-N 463.559 4.004 50 10 JIGE Cc1cc(OCC(=O)NNC(=O)[C@@H](C)Oc2c(C)cc(Br)cc2C)ccc1Cl 14642958 ZBPVPFRZYQHJAK-CQSZACIVSA-N 469.763 4.021 50 10 JIGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)c(OC)c1 38657024 NPMHMSSJQIAZIB-ODCWNRFASA-N 490.487 4.434 50 10 JIGE O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N/N=C/c1ccccc1OCc1ccccc1 48572424 KHDZFUHPDLZLGA-UVHMKAGCSA-N 456.329 4.453 50 10 JIGE COc1ccc(/C=N/NC(=O)CCCSc2nc3ccc([N+](=O)[O-])cc3s2)cc1OC 58987560 NOYXHFKMHPFLMU-CIAFOILYSA-N 460.537 4.244 50 10 JIGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\NCc1ccc(Br)cc1 217254374 INYKDHCFIMCNBB-KAMYIIQDSA-N 496.146 4.498 50 10 JIGE CCOc1ccc2ccccc2c1C=NNC(=O)C(=O)NN=Cc1c(OCC)ccc2ccccc12 254489489 VXPUPTKHOIOAJJ-UHFFFAOYSA-N 482.540 4.391 50 10 JIGE Cc1cccc(NC(=O)Cn2cc(C=NNC(=O)c3ccc(C#N)cc3F)c3ccccc32)c1 254579586 WIKWPXXUDFWYDO-UHFFFAOYSA-N 453.477 4.363 50 10 JIGE O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)NN=Cc1cccc(Cl)c1Cl 725397310 VINLQGILJXODPP-UHFFFAOYSA-N 476.385 4.335 50 10 JIGE C[C@H]1CCc2sc(C(=O)NNC(=O)/C(C#N)=C/c3cn(CCC#N)nc3-c3ccccc3)cc2C1 914462257 GPQNPVPYQLFBQI-NNIWKIFQSA-N 484.585 4.018 50 10 JIGE CCC(C)(C)C1CCC(NC(=O)/C(C#N)=C\c2cn(CCC(N)=O)nc2-c2ccc(OC)cc2)CC1 920848757 HEWJGWHPOSZJKJ-SILNSSARSA-N 491.636 4.452 50 10 JIGE C[C@@H](Nc1ccc(F)cc1)C(=O)NN=Cc1cc(Br)c(O)c(Br)c1 1083922638 QCAQDUPOIAFAAJ-SECBINFHSA-N 459.113 4.007 50 10 JIGE COc1cc(C=NNC(=O)COc2ccc(C(C)C)cc2Br)cc(OC)c1OC 1084171959 DVQKDVNOGOMFIQ-UHFFFAOYSA-N 465.344 4.127 50 10 JIGE Cc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccc([N+](=O)[O-])cc1 1084196005 CJZGXFTZFRDWMY-XLNRJJMWSA-N 455.518 4.258 50 10 JIGE Cc1nn(-c2cccc([N+](=O)[O-])c2)c(C)c1C=NNC(=O)CSCc1ccccc1Cl 1084255154 YMWQZBLXPIUWNW-UHFFFAOYSA-N 457.943 4.434 50 10 JIGE CCOc1ccc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084644931 QHCRDDCNUADXRC-UHFFFAOYSA-N 485.993 4.080 50 10 JIGE CS(=O)(=O)N(CC(=O)NN=Cc1ccc(OCc2ccc3ccccc3c2)cc1)c1ccccc1 1084658085 CRYACKNRDAFUGO-UHFFFAOYSA-N 487.581 4.335 50 10 JIGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc(Oc3cccc(F)c3)cc2)cc1 1476014726 YFCXNDFXXQYNMN-INIZCTEOSA-N 451.454 4.441 50 10 JIGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2cccc(OC)c2O)cc1 1865683469 FFYSQNOZTBAWCT-QFIPXVFZSA-N 466.497 4.480 50 10 JIGE Clc1cc(I)c(CBr)cc1I 2060263881 ZGDAXQDXUSDIDX-UHFFFAOYSA-N 457.274 4.444 50 10 JIGE CC1(C)[C@H](Cl)C[C@H]1CNC(=O)c1cc(I)ccc1Br 2097953441 ZBYFBWXUBDOQOI-QPUJVOFHSA-N 456.549 4.437 50 10 JIGE C[C@H]1CN(C(=O)c2cc(Cl)ccc2I)CC[C@H]1CBr 2109030072 CJDUCVNGLLJMRL-UWVGGRQHSA-N 456.549 4.438 50 10 JIGE O=C(N[C@H]1C[C@@H]([C@H](F)CCl)C1)c1ccc(Br)cc1I 2142283227 NGRMUZPOGATATH-POZPLHJXSA-N 460.512 4.139 50 10 JIGE CC1(C)CC(CBr)(CNC(=O)c2cc(I)ccc2F)C1 2169665040 UMTVJFJITBRLDZ-UHFFFAOYSA-N 454.121 4.361 50 10 JIGE CC1(C)C[C@@H](N(Cc2ccccc2)S(=O)(=O)c2cc(CBr)ccc2F)CO1 2179786802 GGEOJZDOLKMTFS-QGZVFWFLSA-N 456.377 4.479 50 10 JIGE Cn1nc(Br)c([C@@H](Cl)c2cc(Br)sc2Br)n1 2210979440 WKYGEVLNKNXWMZ-YFKPBYRVSA-N 450.381 4.492 50 10 JIGE CC(C)(C)OC(=O)N1C[C@H](I)[C@H](OC[C@H]2CC(F)(F)C23CCC3)C1 2247329383 PGTXZORWMOMPHN-FRRDWIJNSA-N 457.299 4.251 50 10 JIGE O=C(C=Cc1ccco1)Oc1ccc(Br)cc1C=NNC(=O)c1cccc([N+](=O)[O-])c1 2297550412 JQUKYWQNOQIXQM-UHFFFAOYSA-N 484.262 4.333 50 10 JIGE CO[C@@H]1[C@@H](Br)C[C@@H]1OCc1cc(I)ccc1Br 2302823438 ZYFAZUZSHRLWNC-SDDRHHMPSA-N 475.946 4.121 50 10 JIGE Cc1cccc(CCNC=C(C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 2324609853 WLMWVPGKHPBFCR-UHFFFAOYSA-N 464.613 4.468 50 10 JIGE N#CC(=Cc1ccc(Cl)cc1)C(=O)Nc1ccc(I)cc1C(=O)O 2329651439 PWJOCGAXDSHWIU-UHFFFAOYSA-N 452.635 4.188 50 10 JIGE Cc1ccc(S(=O)(=O)NCC(O)=C(C#N)c2nc(-c3c[nH]c4ccccc34)cs2)cc1 2331348948 DOICTMVDHVURDC-UHFFFAOYSA-N 450.545 4.371 50 10 JIGE CC(C)[C@H](Br)C(C)(C)CNC(=O)c1cc(I)ccc1O 2365853696 ANUKUYZXDDCPPC-ZDUSSCGKSA-N 454.146 4.172 50 10 JIGE O=C(COc1ccc2ccccc2c1Br)NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 12492163 UBXVRUSHTPMYCO-UHFFFAOYSA-N 478.686 4.004 50 10 JIGE CCOC(=O)c1cc2ccc(OC(=O)[C@@]34CC[C@@](C)(C(=O)[C@@H]3Br)C4(C)C)cc2oc1=O 33514340 KOPZWGPXQVYHJT-IRBZQWRBSA-N 491.334 4.034 50 10 JIGE CCCCCN1C(=O)/C(=N\NC(=O)CCCCCNC(=O)c2ccccc2)c2cc(C)ccc21 38180242 QCUBSEYPWHGKRT-JVCXMKTPSA-N 462.594 4.343 50 10 JIGE Cc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)cc1 38649217 IZPUIJNSSWXCPE-DEOSSOPVSA-N 457.442 4.106 50 10 JIGE Nc1c(NNC(=O)COc2ccc(Cl)cc2Cl)ncnc1Nc1ccc(Cl)cc1 40782172 GYVANUSGLRDRNK-UHFFFAOYSA-N 453.717 4.285 50 10 JIGE COC(=O)c1ccc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2OC)CCC3)cc1 40813150 UIVIZJSIDJLZFY-ZXVVBBHZSA-N 476.485 4.073 50 10 JIGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(-c3cc([N+](=O)[O-])ccc3OC)o2)cc1 58894743 KJMNEBZHHHZHQY-BABSMXRMSA-N 467.478 4.226 50 10 JIGE O=C(NC(NC(=O)C(Cl)Cl)c1ccc(OCc2ccccc2)cc1)C(Cl)Cl 100917278 ATDIDEDENKBUHC-UHFFFAOYSA-N 450.149 4.104 50 10 JIGE O=S(=O)(NCCCCCCI)c1ccc(Br)cc1Cl 236046065 BODUWUPVKLJULR-UHFFFAOYSA-N 480.593 4.376 50 10 JIGE Cc1cc(C)cc(-n2c(C)cc(C=NNC(=O)CN(c3c(C)cccc3C)S(C)(=O)=O)c2C)c1 252617081 KLWZESGQEIBCFF-UHFFFAOYSA-N 480.634 4.244 50 10 JIGE O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1)NN=Cc1ccccc1F 254623407 LHIRPHUWVFIOCP-UHFFFAOYSA-N 476.493 4.224 50 10 JIGE C[C@H]1CN(Cc2ccccc2)CCN(S(=O)(=O)c2cc(CCl)ccc2Br)C1 323609286 KGFNHUIZSNYDPZ-INIZCTEOSA-N 471.848 4.331 50 10 JIGE Cc1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)cc1N 382716084 KJEHRUWRIMGHRW-QZTJIDSGSA-N 450.320 4.364 50 10 JIGE CN1C[C@H](c2cc(Br)ccc2I)[C@@H](CBr)C1 382735187 WPSVTOUBASJVCI-KWQFWETISA-N 458.963 4.094 50 10 JIGE Cc1c(Br)cc(CCl)cc1S(=O)(=O)N1CCN(Cc2ccccc2)[C@H](C)C1 396383089 QIDLRASKQXBVJG-OAHLLOKOSA-N 471.848 4.391 50 10 JIGE C[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)c(Br)s2)[C@@H]1CBr 688772945 SHMKTKFBLLMQAN-VXNVDRBHSA-N 451.633 4.348 50 10 JIGE C[C@@H]1CCN(S(=O)(=O)c2cc(Br)ccc2Br)C[C@H]1CBr 700446553 SFGVYCJVRCNZRV-NXEZZACHSA-N 490.055 4.253 50 10 JIGE C[C@@H](CCCBr)NC(=O)c1ccc(I)c(Br)c1 721593810 LUGOLEKZTUVVAD-QMMMGPOBSA-N 474.962 4.347 50 10 JIGE O=C(NNC(=O)c1ccccc1OCc1ccc(F)cc1)N[C@@H](c1ccccc1)[C@H]1CCCO1 726711430 GHJPFSRIGQXVBV-RPWUZVMVSA-N 463.509 4.269 50 10 JIGE COc1cccc([C@H](C)N2CCN(C(=O)/C(C#N)=C\c3cn(CCC#N)nc3-c3ccccc3)CC2)c1 728890708 CCWNNAYKUMPREQ-VYUMYAIBSA-N 494.599 4.285 50 10 JIGE CC1CCN(C[C@@H]2CCCN(C(=O)/C(C#N)=C\c3cn(CCC#N)nc3-c3ccccc3)C2)CC1 748223489 HFTRSOOKOOYRJA-XQGNUGGCSA-N 470.621 4.341 50 10 JIGE COc1cc(C=NNC(=O)CSc2ccccc2)ccc1OCc1ccc(C(=O)O)cc1 1084016244 UHGLPSHILIXZSE-UHFFFAOYSA-N 450.516 4.215 50 10 JIGE COc1cc(C=NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc(Br)c1O 1084298968 VLMHBNNOEWUVNP-UHFFFAOYSA-N 468.307 4.180 50 10 JIGE COc1ccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4ccc(Cl)cn4)c(C)c32)cc1 1772745895 NJFKVRDUNRSXRU-UHFFFAOYSA-N 452.898 4.368 50 10 JIGE CCN(CC)C(=O)COc1ccc(-c2c(C)sc(NC(=O)[C@H](C)Cl)c2C(=O)OC)cc1 1865768894 JNSAZUDSCKTFIN-ZDUSSCGKSA-N 466.987 4.323 50 10 JIGE CC[C@](C)(NC(=O)CCCc1ccc2c(c1)OCCO2)C(=O)Nc1ccc(SC#N)cc1 1866789337 LNAFPLZQLKADCT-DEOSSOPVSA-N 453.564 4.277 50 10 JIGE CN(Cc1nn(C)cc1Br)c1ccc(Br)cc1CBr 1912463022 BKMZLBVEUBKTPJ-UHFFFAOYSA-N 451.988 4.476 50 10 JIGE O=C(c1ccc(I)c(O)c1)N(CCCBr)Cc1ccccc1 1914627128 AFGHEMUMZISASH-UHFFFAOYSA-N 474.136 4.424 50 10 JIGE Brc1cnc(N2C[C@H](Br)C[C@]3(CCCO3)C2)c(Br)c1 1924293922 GEBMGYSMFMLSEU-ZWNOBZJWSA-N 454.988 4.129 50 10 JIGE CC(C)[C@@H](CBr)N(Cc1ccccc1)S(=O)(=O)N1CC(OCc2ccccc2)C1 1959173536 SZJILXYXPWOMCO-JOCHJYFZSA-N 481.456 4.054 50 10 JIGE CC1(C)[C@H](CBr)CCN1c1ncc(I)cc1Br 2015764700 LDSODBZORRVSMY-QMMMGPOBSA-N 473.978 4.449 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OCCCN2CCCCC2)C1 2055694540 TXPDEEQWUKRRNM-LJQANCHMSA-N 466.404 4.084 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CCC=C[C@@H]1CBr 2061971522 FSEYZYPPKLDRHD-SNVBAGLBSA-N 484.957 4.219 50 10 JIGE COc1ccc(OC)c(-n2nc(CBr)c(I)c2C(F)(F)F)c1 2079258779 NALKOWQPRPAWEL-UHFFFAOYSA-N 491.045 4.408 50 10 JIGE C[C@]12CN(C(=O)c3ccc(I)c(Cl)c3)C[C@@]1(CBr)C2 2109184494 YBIQZOMFNOATAP-KBPBESRZSA-N 454.533 4.192 50 10 JIGE Clc1ccc(I)c(CN2CC[C@]3(C[C@H](Br)CO3)C2)c1 2137137358 XSPBBYYSSPECLH-FZMZJTMJSA-N 456.549 4.073 50 10 JIGE CCN1CCC[C@@H]([C@H](Br)c2ccc(I)c(Cl)c2)S1(=O)=O 2145758646 KAQRBJZTZVQERH-QWHCGFSZSA-N 492.604 4.195 50 10 JIGE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H](Br)C2CCCC2)C[C@H]1CC(F)(F)F 2176101247 FDEOTNKRKWNZQZ-KGLIPLIRSA-N 457.331 4.340 50 10 JIGE O=C(N[C@H](CBr)[C@@H]1CC=CCC1)c1cccc(F)c1I 2196161334 WZILNVBSCSTDTF-ZWNOBZJWSA-N 452.105 4.280 50 10 JIGE O=C(c1c(F)cccc1I)N1CC[C@@H](CBr)C12CCC2 2282788274 ZSTAAHFMIVPKBY-JTQLQIEISA-N 452.105 4.210 50 10 JIGE O=C(c1csc(Br)c1Br)N1C[C@@H]2CC[C@H](CBr)O[C@H]2C1 2289340375 MPWBLEMOTCUXDJ-XKSSXDPKSA-N 488.039 4.288 50 10 JIGE O=C(NCCSCCCBr)c1ccc(Br)cc1Br 2314051965 CISXDNJYRFFSMS-UHFFFAOYSA-N 460.029 4.460 50 10 JIGE CC(C)Oc1c(Br)cc(C=NNC(=O)c2ccc(O)cc2)cc1Br 2323087691 RQIDEMHOOCIKDX-UHFFFAOYSA-N 456.134 4.468 50 10 JIGE COc1ccc(NC=C(C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1OC 2324599028 GXDVDBJWXGVMSD-UHFFFAOYSA-N 482.584 4.457 50 10 JIGE C[C@@]12CN(C(=O)c3ccc(Cl)cc3I)C[C@@]1(CBr)C2 2340065043 JBLJUGCFJXDVGG-KGLIPLIRSA-N 454.533 4.192 50 10 JIGE CC[C@@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(-c3ccccc3)cc2)c1 10672081 INPBEZLOOAZFFE-GOSISDBHSA-N 477.586 4.245 50 10 JIGE CCCCC(=O)Nc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)cc1 14644437 BSPSTTINOPKPGX-CYBMUJFWSA-N 496.789 4.460 50 10 JIGE Cc1cc(OCC(=O)NNC(=O)c2ccc(OC(C)C)c(Br)c2)ccc1Cl 14658705 NOPWFOHRNLZDDJ-UHFFFAOYSA-N 455.736 4.038 50 10 JIGE CCN(c1ccccc1)c1ncnc(NNC(=O)COc2ccc(Cl)cc2Cl)c1[N+](=O)[O-] 40573509 UXDMSFHFNULNNJ-UHFFFAOYSA-N 477.308 4.372 50 10 JIGE CCCC[C@H](CC)COc1cc(C(=O)NN)c(OC[C@H](CC)CCCC)cc1C(=O)NN 59833116 DJNJETPKQAHXHJ-HDICACEKSA-N 450.624 4.084 50 10 JIGE N#C/C(=C\Nc1ccc(S(=O)(=O)NC(=N)N)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 102460155 NGGGRBMJPDZOQI-FMIVXFBMSA-N 493.401 4.265 50 10 JIGE N#C/C(=C/c1cc2c(cc1Br)OCO2)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 103485351 XHOUQKGHPPJZHB-KMKOMSMNSA-N 450.632 4.285 50 10 JIGE O=S(=O)(NC[C@@H]1CCCC[C@@H]1Br)c1cc(Cl)c(Br)s1 136961431 WHCYSFJWZDXEFQ-YUMQZZPRSA-N 451.633 4.396 50 10 JIGE CCN(/C=C(/C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)CCc1ccncc1 216500876 CKMJJPKBFAGXPS-COOPMVRXSA-N 479.628 4.287 50 10 JIGE FC(F)c1cc(I)c(CBr)c(I)n1 238681094 UCUAMAPJEAKAHV-UHFFFAOYSA-N 473.824 4.123 50 10 JIGE CCn1c2ccccc2c2cc(C=NNC(=O)CN3CCN(Cc4ccc(C)cc4)CC3)ccc21 254696854 FMVXHXFDEOYMQX-UHFFFAOYSA-N 467.617 4.391 50 10 JIGE COc1cc(C=NNC(=O)c2cccc(Cn3cccn3)c2)ccc1COc1ccc([N+](=O)[O-])cc1 254872355 VXZWORIDVANYQG-UHFFFAOYSA-N 485.500 4.191 50 10 JIGE O=C(Cc1nc(CCl)cs1)Nc1cc(I)ccc1Br 305923605 AMGRPUZSFBSUFV-UHFFFAOYSA-N 471.545 4.430 50 10 JIGE Cn1cc([C@H](Br)c2cc3nc(O)[nH]c3cc2Br)nc1Br 829354250 OARNLJWVHOPKEW-SNVBAGLBSA-N 464.943 4.011 50 10 JIGE CCOc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccccc2Cl)c2ccc(C)cc2)cc1 1084157567 YMIPSUJXNUQYSB-UHFFFAOYSA-N 485.993 4.393 50 10 JIGE COc1cccc(NC(=O)C(=O)NN=Cc2ccc(OCc3ccc(Br)cc3)cc2)c1 1084571659 HBJAWAFUUBLBEU-UHFFFAOYSA-N 482.334 4.126 50 10 JIGE Cc1cc(I)c(OCCOCCI)cc1Cl 1904662642 CDMCIZFZVLNVFS-UHFFFAOYSA-N 466.484 4.083 50 10 JIGE BrCC1(N(Cc2ccccc2)c2ncc(I)cn2)CCC1 1915755070 IHXKTXDAHZFITF-UHFFFAOYSA-N 458.141 4.405 50 10 JIGE O=C(N[C@@H](CBr)C[C@@H]1CCCO1)c1ccc(Br)cc1Br 1926741912 VBVXHNACNFVNEL-MNOVXSKESA-N 469.999 4.274 50 10 JIGE CCN1CCC[C@@H]([C@@H](Cl)c2csc(Br)c2Br)S1(=O)=O 2093943937 AZHOGZVPKVUGFW-WPRPVWTQSA-N 451.633 4.367 50 10 JIGE Brc1cccc(Br)c1CC[C@H](Br)CN1CCOCC1 2099488216 PHCHVVVQTYOFHY-NSHDSACASA-N 456.016 4.240 50 10 JIGE O=C(NC[C@@H](CCl)C(F)(F)F)c1ccc(I)c(Br)c1 2105259701 QFAFCKJDHRNJHW-SSDOTTSWSA-N 470.454 4.201 50 10 JIGE CC[C@@H](C)[C@H](CI)NS(=O)(=O)c1c(C)sc(C)c1Br 2136497444 TWQXDZKLOPABJC-XCBNKYQSSA-N 480.231 4.255 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@H]2[C@H](Br)CC[C@H]2C1 2144221946 NSNWHWWVZAHYRH-JMJZKYOTSA-N 488.039 4.006 50 10 JIGE CCCS[C@H]1CCN(S(=O)(=O)c2cc(CBr)sc2Br)C1 2179775579 MOEWOQSVLUAROP-VIFPVBQESA-N 463.282 4.312 50 10 JIGE CN(C[C@H](Br)COCc1ccccc1)S(=O)(=O)Cc1ccc(Br)cc1 2218988223 WRQVJRAOCRYXKU-SFHVURJKSA-N 491.245 4.191 50 10 JIGE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)NC[C@H]1C[C@H](Br)C1 2229108894 CHJQKWZSZYPPPS-BPUTZDHNSA-N 490.236 4.175 50 10 JIGE CCN1CCC[C@@H]([C@H](Br)c2scc(Br)c2Cl)S1(=O)=O 2264611063 CKQGSSHGPOPBET-IUCAKERBSA-N 451.633 4.414 50 10 JIGE Cc1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)S(=O)(=O)c2ccccc2)c(C)c1 2296846314 AIHKRIFWQGANHJ-UHFFFAOYSA-N 457.511 4.442 50 10 JIGE C=CC[C@H](Br)[C@H]1CCN1c1ncc(I)cc1Br 2299358062 SLGUBGLCLSNQLN-GXSJLCMTSA-N 471.962 4.367 50 10 JIGE C[C@@H]1CCC[C@H](CO[C@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)O1 2301105964 UMNMTICKWXZWCL-RKVPGOIHSA-N 453.361 4.165 50 10 JIGE BrCC1(Cc2ccc(I)c(Br)c2)COCCOC1 2325220843 KCBJLYNPTCXMES-UHFFFAOYSA-N 489.973 4.024 50 10 JIGE CC1(C)CC(CBr)(CN2C[C@H](NC(=O)C(F)(F)F)CC[C@@H]2C(F)(F)F)C1 2371131719 QYBSFUKEVCHKNR-GHMZBOCLSA-N 453.265 4.262 50 10 JIGE Cc1cc(OCC(=O)NNC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)ccc1Cl 13980187 TUFYCHUNBAQUIG-UHFFFAOYSA-N 451.910 4.049 50 10 JIGE Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=O)c1ccc(OCCOc2ccccc2)cc1 14039480 IFCZTIGHDBTGHI-UHFFFAOYSA-N 495.963 4.286 50 10 JIGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)COc2c(C)cccc2C)c(Br)c1 14832201 IIWGEAOVUIRAKJ-AWEZNQCLSA-N 463.372 4.185 50 10 JIGE Cc1ccc2c(c1)/C(=N/NC(=O)CCCCCNC(=O)c1ccccc1Cl)C(=O)N2CC(C)C 38180257 FEPVLDFYPYTTFN-KRUMMXJUSA-N 483.012 4.462 50 10 JIGE O=C(N/N=C/c1cc(Cl)c(O)c(Cl)c1O)c1ccc2[nH]c(-c3ccccc3O)nc2c1 169926504 IBFXJPHEMJXPTC-PGGKNCGUSA-N 457.273 4.417 50 10 JIGE O=C(NCC1(CCBr)CC1)c1cc(I)ccc1Br 232456160 QSJPKIVZMBAJRJ-UHFFFAOYSA-N 486.973 4.349 50 10 JIGE COc1cc([N+](=O)[O-])c(C(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)cc1SC 728456763 XHAUXRWBPWYSOV-UHFFFAOYSA-N 485.493 4.118 50 10 JIGE CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNC(=O)c2scnc2C)cs1 729639603 KPIWTZRBQFDQDJ-UHFFFAOYSA-N 453.471 4.375 50 10 JIGE CN(C)c1cccc(CNC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)c1 748289070 HRGDHPLFGATJKL-XSFVSMFZSA-N 458.953 4.407 50 10 JIGE CC(=O)N1CCN(Cc2ccccc2NC(=O)NNc2ccccc2Oc2ccccc2)CC1 1466191839 DWWRZOCCXAIAQL-UHFFFAOYSA-N 459.550 4.292 50 10 JIGE C#Cc1cccc(NC(=O)CN(C)C(=O)/C(C#N)=C/c2cc(C)n(-c3ccccc3C)c2C)c1 1527474933 AOHMEPGQXCLMJV-LFVJCYFKSA-N 450.542 4.388 50 10 JIGE C=CCOc1ccc(Br)cc1NC(=O)NNC(=O)c1ccc(Cl)cc1OC 1562929022 DZLOPHXRXJFKTG-UHFFFAOYSA-N 454.708 4.142 50 10 JIGE C#CC[C@]1(C(=O)NNC(=S)Nc2ccc(CCCC)cc2)CCCN1C(=O)OC(C)(C)C 1624319519 HAPJHCYBYYGPFX-XMMPIXPASA-N 458.628 4.140 50 10 JIGE CN(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)cc1 1865683132 GPOYDYPVCWZGBZ-GOSISDBHSA-N 457.431 4.373 50 10 JIGE CC(C)(NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)Nc1ccc(SC#N)cc1 1866859354 ZBNUZXXDQQQZFF-IBGZPJMESA-N 467.620 4.131 50 10 JIGE O=S(=O)(NCC[C@H]1CCC[C@@H]1Br)c1cc(Cl)c(Br)s1 1913796022 IYMHNHLVTOIWEB-SFYZADRCSA-N 451.633 4.396 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCC2 1985350010 KHAKLUHKGAQLEM-HOTGVXAUSA-N 461.694 4.318 50 10 JIGE Cc1csc(C(=O)NCCSSCCNC(=O)OC(C)(C)C)c1Br 2010829111 QJOJKKLGGKBEEU-UHFFFAOYSA-N 455.465 4.455 50 10 JIGE O=C(c1cccc(Br)c1Br)N1CCC(CI)CC1 2037347075 HSYPYMJBNMUITA-UHFFFAOYSA-N 486.973 4.499 50 10 JIGE CCOC(=O)c1cc(CBr)c(I)cc1OC(F)(F)F 2055267453 GHABKUMFQPCQFJ-UHFFFAOYSA-N 452.992 4.261 50 10 JIGE CCOC(=O)c1cc(I)c(CBr)c(OC(F)(F)F)c1 2055277014 WBLRBUQAQTXWDP-UHFFFAOYSA-N 452.992 4.261 50 10 JIGE CN([C@H]1CC[C@@H]1OCc1ccccc1)S(=O)(=O)c1cc(CBr)oc1Br 2059267716 RDGBXYVXJWMLQG-GJZGRUSLSA-N 493.217 4.305 50 10 JIGE COCCN1C[C@H](Br)[C@H](Cc2c(Br)cccc2Br)C1 2100730973 NWHDRJZAXPTWIF-YGRLFVJLSA-N 456.016 4.096 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CC[C@H](Cl)CC12CC2 2113589981 UMOOYCVQFSDWSP-JTQLQIEISA-N 454.533 4.430 50 10 JIGE Cc1sc(CBr)cc1S(=O)(=O)N(Cc1ccccc1)C1CCN(C)CC1 2123231696 HHLQOUJKHZPAPO-UHFFFAOYSA-N 457.459 4.237 50 10 JIGE Cc1csc(CBr)c1S(=O)(=O)N(C)[C@H]1C[C@H](C)N(Cc2ccccc2)C1 2123238987 ZXWFOGWISNIZIX-RDJZCZTQSA-N 457.459 4.235 50 10 JIGE CCn1cnnc1CC(CBr)(CBr)c1cccc(Br)c1 2153666007 DCIPAQJINZWXRJ-UHFFFAOYSA-N 466.015 4.331 50 10 JIGE COc1cc(S(=O)(=O)N(Cc2ccccc2)C2CCC2)cc(CBr)c1OC 2179825455 HFBNTXVYCQNWHD-UHFFFAOYSA-N 454.386 4.342 50 10 JIGE O=S(=O)(c1cc(CBr)cc(F)c1F)N1CCC[C@H](OCc2ccccc2)C1 2186382584 VVLLWCLXWZJYCY-INIZCTEOSA-N 460.340 4.230 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CC(CCCBr)C1 2222958525 WNNLIZSCPLINRY-UHFFFAOYSA-N 486.973 4.301 50 10 JIGE CN(C[C@H]1C[C@@H]1Br)C(=O)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229124390 XNNJRESWIYIKTJ-KBMXLJTQSA-N 490.236 4.127 50 10 JIGE CCOC(=O)COc1c(Br)cc(C=C(C#N)C(=O)N[C@H]2CCCC[C@@H]2C)cc1OC 2295195962 CZAWBNDHAUHCLF-KSSFIOAISA-N 479.371 4.001 50 10 JIGE O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)c1ccc(NS(=O)(=O)C=Cc2ccccc2)cc1 2297539081 BYLHHVGOKSMSKQ-UHFFFAOYSA-N 493.629 4.467 50 10 JIGE CC(C)(CI)CN1CCC[C@H](N(CC(F)F)C(=O)OC(C)(C)C)C1 2306814274 AYWOGIMUXPDEHB-ZDUSSCGKSA-N 460.347 4.414 50 10 JIGE C[P@]1(=O)C[C@@H](Cl)[C@H](NCc2ccc(I)c(Br)c2)C1 2325209901 SMHGAVDLWCEMHP-QAMHXRKUSA-N 462.493 4.126 50 10 JIGE CCCOc1ccc(C(=O)NN=Cc2cc(Cl)cc(Br)c2O)cc1[N+](=O)[O-] 2325902487 RIJUVRZLKILBDQ-UHFFFAOYSA-N 456.680 4.269 50 10 JIGE N#CC(=Cc1cccc(Cl)c1)C(=O)Nc1ccc(I)cc1C(=O)O 2329684291 BQQDWNQAAOZMTN-UHFFFAOYSA-N 452.635 4.188 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CC[C@H]2C[C@]1(CCl)C2 2336562694 FGOLSZMGYYWHLG-DEZZCRIOSA-N 454.533 4.287 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@H]2CC[C@H]1C[C@@H]2Br 2337154282 DIMKFZPLQSFOCX-DVYJOKAKSA-N 498.984 4.442 50 10 JIGE C[C@@](CBr)(NC(=O)c1ccc(Cl)cc1I)C(F)(F)F 2340068267 LBZYMNMZFURKCC-JTQLQIEISA-N 470.454 4.390 50 10 JIGE COc1ccc([C@@H](Br)C2C[C@@H](OC)[C@H](OC)C2)cc1I 2359457810 YTCRPMXPOWSJJD-RBSFLKMASA-N 455.130 4.176 50 10 JIGE O=C(N[C@H]1C[C@H](CBr)C12CCC2)c1c(F)cccc1I 2379715118 AYOJMQWRXQPUFL-SKDRFNHKSA-N 452.105 4.114 50 10 JIGE CC[C@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc([C@@H](C)CC)cc2)cc1 10295978 LSJRRXDSXJMNHA-IRXDYDNUSA-N 457.596 4.092 50 10 JIGE O=C(/C=C\c1cccc2ccccc12)NC(=S)NNC(=O)COc1cccc2ccccc12 34984269 IKUFHFIWBQBBOZ-NXVVXOECSA-N 455.539 4.107 50 10 JIGE O=C(N/N=C1\C(=O)N(C/C=C/c2ccccc2)c2ccccc21)c1cc(Br)ccc1O 59146869 RCVLSXUIRAJEDD-ZVBBRHTMSA-N 476.330 4.349 50 10 JIGE CCOc1cc(/C=N\NC(=O)c2ccc3[nH]c4c(c3c2)C[C@@H](C)CC4)cc([N+](=O)[O-])c1OC 169891324 NGTLXYNXKDQFHR-IDFPFIHXSA-N 450.495 4.372 50 10 JIGE Cc1cc(C)c(NC(=O)COc2ccc(C=NNC(=O)C(=O)Nc3ccccc3Cl)cc2)c(C)c1 252617666 KXZPLAVWCQFQKA-UHFFFAOYSA-N 492.963 4.372 50 10 JIGE O=C(NN=Cc1ccccc1OCc1ccccc1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 254514880 ZMBSHBJJOLUMRZ-UHFFFAOYSA-N 498.583 4.417 50 10 JIGE O=S(=O)(c1cc(CCl)sc1Br)N1C[C@@H]2CN(Cc3ccccc3)CC[C@H]2C1 380758987 XFCLWRTVMGGANL-HOTGVXAUSA-N 489.888 4.392 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)NCC2(CBr)CCC2)cc1Br 717692066 XLWVWVAQCWWBHC-UHFFFAOYSA-N 490.055 4.364 50 10 JIGE Cc1ccc([C@@H](CNC(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)N2CCCC2)o1 726271008 LKRQKWGBMMDGNG-JOCHJYFZSA-N 480.540 4.087 50 10 JIGE N#CCCn1cc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCCO3)c(-c2ccc(Cl)cc2)n1 818031195 CVCWJSLZZKOEGQ-CPNJWEJPSA-N 473.920 4.112 50 10 JIGE CCN(CC)C(=O)c1ccc(CNC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)cc1 915197715 FEFZCJVNKCQANZ-ULJHMMPZSA-N 480.572 4.169 50 10 JIGE COc1cc([N+](=O)[O-])ccc1-n1nc(C)c(C=NNC(=O)COc2cc(C)ccc2C(C)C)c1C 1084155409 JEAITNIQWDZHTM-UHFFFAOYSA-N 479.537 4.367 50 10 JIGE Cc1ccc(NC(=O)CN2C(=O)C(=NNC(=O)C34CC5CC(CC(C5)C3)C4)c3ccccc32)cc1 1084333021 DETBWBKZYDCBEO-UHFFFAOYSA-N 470.573 4.017 50 10 JIGE O=C(COc1ccc(C(=O)NC2CCCCC2)cc1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 1873496970 HBXAQHKLHLAMEB-JVWAILMASA-N 490.516 4.446 50 10 JIGE COc1cccc(/C=N/NC(=O)[C@H](C)NC(=O)OC(C)(C)C)c1OCc1cccc(Cl)c1 1873794730 XNHZERKBGDXGRJ-SQAVSUBZSA-N 461.946 4.291 50 10 JIGE C[C@](CBr)(NC(=O)c1cc(Br)sc1Br)C(F)F 1998355667 HMVWVNZIUTUZIW-SECBINFHSA-N 455.944 4.422 50 10 JIGE C[C@H]1C[C@H](CBr)CCN1c1ncc(I)cc1Br 2015758554 JOTHXBIZXVXJAQ-DTWKUNHWSA-N 473.978 4.449 50 10 JIGE BrCc1c(Br)cccc1N1C[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2036446954 ZXSXSGUSGQSFMQ-WOJBJXKFSA-N 466.217 4.434 50 10 JIGE CCOC(=O)Cc1cc(C(F)(F)F)c(CBr)cc1I 2055276661 GYKIYFGFZOZJQH-UHFFFAOYSA-N 451.020 4.311 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OCCN2CCCCCC2)C1 2055654379 IQOOCAOCDRIAKY-LJQANCHMSA-N 466.404 4.084 50 10 JIGE O=S(=O)(N[C@H](CBr)C1CC1)c1c(Cl)cc(Br)cc1Cl 2094136522 MMGWUBSHHLHAIZ-SNVBAGLBSA-N 451.995 4.208 50 10 JIGE Cc1nn(CCCCl)c(C)c1S(=O)(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1 2095885950 VJJHCHRPOYKVCY-UHFFFAOYSA-N 489.085 4.452 50 10 JIGE C[C@@]1(CBr)COCCN(Cc2cc(Cl)ccc2I)C1 2135100312 FXUOXGBOKPYZEX-AWEZNQCLSA-N 458.565 4.178 50 10 JIGE O=C(NC[C@H]1CCCC[C@@H]1CBr)c1cc(I)ccc1F 2169661799 HPNIUUCRDDPRBM-GHMZBOCLSA-N 454.121 4.361 50 10 JIGE O=C(c1cc(I)ccc1F)N1CC[C@H]2CC[C@@H](Br)[C@H]1C2 2169663774 RHVKJRCRPZHMNH-GAJTVXKRSA-N 452.105 4.208 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1[C@H]2CC[C@@H](Br)[C@H]1CC2 2268357338 WERNCLZHAQUZDW-OPQQBVKSSA-N 454.533 4.475 50 10 JIGE C[C@H](NC(=O)Cc1cc(Br)cc(Br)c1)C1(CBr)CC1 2277913671 ASZRGONERHMYNE-VIFPVBQESA-N 454.000 4.434 50 10 JIGE O=S1(=O)CCCC[C@@H]1[C@H](Br)Cc1cc(Br)cc(Br)c1 2277961405 SYFAHGCCHSSPTD-CHWSQXEVSA-N 475.040 4.485 50 10 JIGE BrC[C@@H]1[C@@H]2C[C@H]1N(Cc1ccc(I)c(Br)c1)C2 2306219208 JTIGGIZWTZSELI-GIPNMCIBSA-N 470.974 4.269 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC[C@@H]2CO[C@]3(C)C[C@H]2C3)C1 2318557107 HREXJWYTGIPOIE-ILRDRHFLSA-N 465.372 4.023 50 10 JIGE CCN(CC)c1ccc(C=NNC(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)cc1 2325904546 SYUODHRSLOGGDB-UHFFFAOYSA-N 473.602 4.430 50 10 JIGE Fc1cc(Br)cc(CNCC(F)(F)C(F)(F)CI)c1 2336530432 WJLDNODXHITQJD-UHFFFAOYSA-N 458.006 4.383 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CC[C@H]2C[C@]1(CBr)C2 2336565027 VUTWCMMNLJVONY-DEZZCRIOSA-N 498.984 4.443 50 10 JIGE O=C(N[C@@H]1C[C@H](CBr)[C@H]2C[C@H]21)c1ccc(Cl)cc1I 2340067285 ABRGJKANDVPRLY-GDECHXLSSA-N 454.533 4.094 50 10 JIGE CN(CC[C@@H](Cl)c1cccs1)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2366242841 WJDMMOZNVQHGCJ-QGZVFWFLSA-N 469.028 4.002 50 10 JIGE C[C@@H](Br)CN(C(=O)Cc1ccccc1I)C1CCCC1 2368851728 SHYKBZHXKGKDGI-GFCCVEGCSA-N 450.158 4.388 50 10 JIGE Clc1ccc(I)cc1CN1CCO[C@@H]2C[C@@H](CBr)C[C@@H]21 2380531570 RCCYWQXTYRIUOE-NZVBXONLSA-N 470.576 4.319 50 10 JIGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(=S)NNC(=O)COc1cccc2ccccc12 12570141 GKIGXZXZZYZNHP-ZDUSSCGKSA-N 492.384 4.015 50 10 JIGE Cc1cccc(C(=O)Nc2ccc(C(=O)NN=C3C(=O)Nc4ccc(C)c(Br)c43)cc2)c1 12577867 XEZZOFRPFLDYKC-UHFFFAOYSA-N 491.345 4.404 50 10 JIGE CC[C@H](Oc1ccccc1C)C(=O)NNC(=O)COc1ccc2ccccc2c1Br 13995205 SIBQXQZKVWVTDS-SFHVURJKSA-N 471.351 4.295 50 10 JIGE Cc1ccc(C)c(O[C@H](C)C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)c1 14008725 QQEBMYLJMIRDPY-MRXNPFEDSA-N 477.399 4.357 50 10 JIGE CCCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(Cl)c(C)c1 14649713 VGYRCGFDWMOKPS-UHFFFAOYSA-N 469.763 4.430 50 10 JIGE C/C(=N\Nc1nc(SCC(=O)NNC(=O)c2ccc(Cl)cc2)n[nH]1)c1ccc2ccccc2c1 20923625 LFIMESDIOMYMNO-VULFUBBASA-N 493.980 4.001 50 10 JIGE COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2cc(SC)sc2OC)cc1 27520892 CZDURYBEVSYPGB-PJQNGEIRSA-N 481.599 4.408 50 10 JIGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)NCc3ccccc3)c(Oc3ccccc3F)nc12 33386952 PIXJYGXXBOPRQA-RGEXLXHISA-N 454.461 4.158 50 10 JIGE Cc1c(C(=O)NNC(=O)c2cccc(Cl)c2)oc2c1/C(=N/Nc1ccc([N+](=O)[O-])cc1)CCC2 40814781 UAQNSKDXVQYOSX-NLRVBDNBSA-N 481.896 4.377 50 10 JIGE CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c([N+](=O)[O-])c2)C1=O 101332439 GLLDDFAQVAGTKT-UDWIEESQSA-N 483.484 4.068 50 10 JIGE CCOC(=O)[C@@H]1C[C@@H](I)[C@H](OCc2ccccc2Br)C1 162559095 ZPAXCFWLKXBFJA-MRVWCRGKSA-N 453.114 4.111 50 10 JIGE COc1cc(OC)c(OC)cc1C=NNC(=O)CSc1nnc(SCc2ccccc2)s1 254855338 XRMFJHUEPHDOLA-UHFFFAOYSA-N 490.632 4.099 50 10 JIGE O=C(COc1ccccc1C(=O)NN=Cc1ccccc1O)Nc1ccc(SC(F)F)cc1 254912885 ZWGOBWCLAIQMOT-UHFFFAOYSA-N 471.485 4.488 50 10 JIGE CN(C[C@@H](Br)C1CC1)S(=O)(=O)c1cc(Br)ccc1Br 690142083 BLMPMNLONJEDSM-LLVKDONJSA-N 476.028 4.006 50 10 JIGE C[C@@H]1CN(C(=O)c2cc(I)ccc2Br)C[C@H]1CBr 709085055 GNFLDHIJXUNNDO-RKDXNWHRSA-N 486.973 4.157 50 10 JIGE COc1ccc(C(C)=NNC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)cc1 1084402909 WARHJKXGLXQAOF-UHFFFAOYSA-N 479.602 4.432 50 10 JIGE C#Cc1cccc(NC(=S)NNC(=O)c2ccc(-n3nc(C)cc3-c3ccccc3)cc2)c1 1471691828 VMJIMGSPOYBWNG-UHFFFAOYSA-N 451.555 4.460 50 10 JIGE CC(=O)c1ccc(Br)c(NC(=O)NNC(=O)c2cc3c(s2)CC[C@@H](C)C3)c1 1627104719 FKJDIXVEDSOXDP-SNVBAGLBSA-N 450.358 4.305 50 10 JIGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2Cl)c1O 1865684249 OMFHARPVPNWOQF-OAHLLOKOSA-N 462.815 4.477 50 10 JIGE CCCOc1ccc([C@H](CC(=O)O)NC(=O)/C(C#N)=C/c2ccc(Br)cc2)cc1OC 1866128454 SMJSXDLZSYSFFZ-OXRZLYTFSA-N 487.350 4.486 50 10 JIGE C[C@H]1C[C@@H](CBr)CN(c2ncc(I)cc2Br)C1 2015758403 HGYYCVUEMYAOMR-IUCAKERBSA-N 473.978 4.306 50 10 JIGE COCCCCN(Cc1ccccc1)S(=O)(=O)c1cc(CCl)oc1Br 2034734816 MHCOUPIGPFLRQH-UHFFFAOYSA-N 450.782 4.398 50 10 JIGE C[C@@H]1C[C@@H](CBr)CN1C(=O)c1cc(I)ccc1Br 2038890735 NOKXKZZWIUAFEY-BDAKNGLRSA-N 486.973 4.299 50 10 JIGE O=C(NC[C@H]1CCC[C@H]1Br)c1ccc(Br)cc1I 2086146624 CCETWCYOLIIOSI-LDYMZIIASA-N 486.973 4.347 50 10 JIGE CCN(CC)S(=O)(=O)C[C@H](Br)c1ccc(Br)cc1Br 2089399627 FFDLAHPVIOXWNW-LBPRGKRZSA-N 478.044 4.319 50 10 JIGE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](C(F)(F)F)CCN1C[C@H](Br)C(F)(F)F 2107581540 DNQFLFFHKLNOBO-DCAQKATOSA-N 457.253 4.480 50 10 JIGE O=C(NC[C@]1(F)C[C@H](CCl)C1)c1ccc(I)c(Br)c1 2112248126 HFOSQDWJJKIERN-XCSCGOTBSA-N 460.512 4.141 50 10 JIGE O=S(=O)(c1cc(F)c(Cl)c(CBr)c1)N(Cc1ccccc1)[C@@H]1CCOC1 2123268767 NLZYQRJOZLJHTI-OAHLLOKOSA-N 462.768 4.354 50 10 JIGE O=C(N[C@H](CCl)c1cscn1)c1ccc(Br)cc1I 2142290704 DWPGEZJKHMHIOH-SNVBAGLBSA-N 471.545 4.220 50 10 JIGE O=S(=O)(c1ccc(CBr)s1)N1CC[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 2179812944 QUZYTTUJENJRIZ-ZWKOTPCHSA-N 469.470 4.176 50 10 JIGE CCC[C@H]1CN(C(=O)c2cccc(C)c2I)C[C@@H]1CBr 2205703921 PBIZVSVTZMRJPX-STQMWFEESA-N 450.158 4.483 50 10 JIGE Cc1cc(C(=O)N2CCC([C@H](F)CBr)CC2)ccc1I 2207104419 GHBZDWPUECFDKJ-CYBMUJFWSA-N 454.121 4.185 50 10 JIGE CC(C)(C)OC(=O)N1C[C@H](I)[C@H](OCCCC(F)(F)C(F)(F)F)C1 2217219655 LOTBLGRAXBIVEE-VHSXEESVSA-N 473.220 4.404 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N[C@@H]1CC[C@H](CBr)C1 2277914239 FUKPNFUGXNZFSB-TVQRCGJNSA-N 454.000 4.434 50 10 JIGE Cc1nn(-c2ccc(F)cc2)c(Cl)c1C=C(C#N)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 2297382427 PCYSFMLBRGWPQA-UHFFFAOYSA-N 490.926 4.317 50 10 JIGE O=C(c1cc(Br)sc1Br)N1CC[C@@H]2[C@H](C1)[C@@H]2CBr 2311905613 IAMAZYQAZHOVKF-ZQARSLAVSA-N 458.013 4.376 50 10 JIGE C[C@H](CBr)CS(=O)(=O)N(C)Cc1c(Br)cccc1Br 2340635776 LPCMSNJORBLBEO-SECBINFHSA-N 478.044 4.004 50 10 JIGE CCn1nc(C(=O)NNC(=O)/C=C/c2ccc(-c3cccc(Cl)c3)s2)c2ccccc2c1=O 71891019 JBNDZYHCYQRWGG-ACCUITESSA-N 478.961 4.273 50 10 JIGE O=S(=O)(N[C@@H]1CCC[C@@H]1Br)c1c(Cl)cc(Br)cc1Cl 122347044 PBCNKZXYKBLUNO-OIBJUYFYSA-N 451.995 4.350 50 10 JIGE COc1ccc(/C=C(/C#N)C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2)cc1 206696954 QZJUENJQRPQTPX-NAWSQEDCSA-N 453.454 4.024 50 10 JIGE CCc1ccccc1N(CC(=O)NN=Cc1cc(C)n(-c2ccc(C)cc2C)c1C)S(C)(=O)=O 254845894 OGFYYXPMSXMTAC-UHFFFAOYSA-N 480.634 4.190 50 10 JIGE CCOc1cc(C=NNC(=O)CSc2nnc(N)s2)ccc1OCc1cc(C)c(C)cc1C 256028618 YGKAXWOEKWFLGH-UHFFFAOYSA-N 485.635 4.266 50 10 JIGE CC(C)N(C[C@H](C)Br)S(=O)(=O)c1cc(Br)ccc1Br 691368704 BGVLHYIICUNSMQ-VIFPVBQESA-N 478.044 4.394 50 10 JIGE O=S(=O)(c1cc(CCl)sc1Br)N1C[C@H]2C[C@@H](CN(Cc3ccccc3)C2)C1 719388115 PCAVKNZHNLFDQZ-HOTGVXAUSA-N 489.888 4.392 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CCC(CBr)CC1 721608103 DQZAFINVTLFWQH-UHFFFAOYSA-N 486.973 4.301 50 10 JIGE CCCOc1ccc(C=NNC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc1 1084028571 NFTYEGWMZLRCKT-UHFFFAOYSA-N 485.993 4.474 50 10 JIGE Cc1c(Br)c(C=NNC(=O)c2ccc(CN3CCOCC3)cc2)c(C)n1-c1ccccc1 1084396558 VEDOCVJJAPVMQL-UHFFFAOYSA-N 495.421 4.453 50 10 JIGE CC(=NNC(=O)CSc1nnc(CNc2ccccc2)n1-c1ccccc1)c1ccc(N)cc1 1084475848 SEXOQIWRIHBDJH-UHFFFAOYSA-N 471.590 4.094 50 10 JIGE COc1ccc(OC)c([C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)c1 1614812307 ZAMCQQAFJCNCIA-QFBILLFUSA-N 481.330 4.491 50 10 JIGE Cc1c(C(=O)N2c3ccccc3C[C@@H]2C)oc2c1C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772746270 AEBFSJSZJBRAFD-INIZCTEOSA-N 486.528 4.487 50 10 JIGE C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)N/N=C/c4ccccc4C(F)(F)F)c(=O)c23)C1 1860773576 AVIWDCXAHYSZEE-IVPMDOKPSA-N 462.497 4.313 50 10 JIGE COc1cc(/C=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)ccc1OCCN1CCOCC1 1872792385 VWSUFDAMNBJGPY-UDWIEESQSA-N 491.569 4.323 50 10 JIGE O=C(c1cc(Br)ccc1Br)N1C[C@@H]2CC[C@@]2(CBr)C1 1903985262 WDXKURUZCHLDCG-LKFCYVNXSA-N 451.984 4.459 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@H]2C[C@H]1C[C@H]2Br 2052021727 YIZTYGQUOADRBK-KXUCPTDWSA-N 484.957 4.052 50 10 JIGE C[C@@H](Br)[C@@H]1CCCN1C(=O)c1cc(Br)ccc1I 2073312376 KOJNCJRFQHAJJG-PELKAZGASA-N 486.973 4.442 50 10 JIGE CN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(CCl)c(Br)c1 2088576374 VTTOHBWCKCXLLS-QGZVFWFLSA-N 457.821 4.083 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@H]2CC[C@@]1(CCl)C2 2089721323 WVAWGDAFJODBSA-XPTSAGLGSA-N 454.533 4.287 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1C[C@H](Br)C2(CCC2)C1 2108695835 WZOIXTDHUQOFQT-LBPRGKRZSA-N 454.533 4.334 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CC[C@@H](Cl)CC12CC2 2142286597 FPOAYHFYCQSFKB-SNVBAGLBSA-N 454.533 4.430 50 10 JIGE O=S(=O)(C[C@H](Br)c1cc(Br)ccc1Br)N1CCCCC1 2145637991 XWNLUDCRFVAKPL-ZDUSSCGKSA-N 490.055 4.463 50 10 JIGE CN(C(=O)Cc1ccccc1I)[C@@H]1CCCCC[C@@H]1Br 2172538949 HKGIKXAEHZTCMS-DZGCQCFKSA-N 450.158 4.388 50 10 JIGE O=S(=O)(c1cc(CBr)sc1Br)N1CCC[C@@H](C(F)F)C1 2179775304 KNMRVQCCLURHGZ-SSDOTTSWSA-N 453.168 4.071 50 10 JIGE Cc1cc(S(=O)(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)ccc1CBr 2179785540 NYXFPQYGMMZNPH-GOSISDBHSA-N 451.430 4.175 50 10 JIGE CC1(C)C[C@@H](N(Cc2ccccc2)S(=O)(=O)c2cc(F)ccc2CBr)CO1 2179787605 RDUSOISTPADWSI-GOSISDBHSA-N 456.377 4.479 50 10 JIGE O=S(=O)(c1ccc(CCCBr)cc1)N(Cc1ccccc1)C[C@H]1CCCO1 2179853405 HJSXBPLMBSPLLO-HXUWFJFHSA-N 452.414 4.384 50 10 JIGE CC(C)(C)[C@@H]1[C@H](Br)CCN1C(=O)c1ccc(F)cc1I 2185101450 YWIVBSUHOWYOGN-YPMHNXCESA-N 454.121 4.454 50 10 JIGE CN(C[C@H]1C[C@H](Br)C1)C(=O)[C@H]1C[C@H](C(F)(F)F)CCN1C(=O)OC(C)(C)C 2196915321 XIFWBJLOQHJJMO-AAVRWANBSA-N 457.331 4.196 50 10 JIGE O=C(c1csc(Br)c1Br)N1C[C@@H]2OCCC[C@]2(CBr)C1 2238798072 VDHMZDWJLPATGA-ZANVPECISA-N 488.039 4.289 50 10 JIGE COc1ccc([C@H](Br)c2cnn(C)c2Br)cc1I 2257370054 YQMIXDCEXBZUGA-NSHDSACASA-N 485.945 4.280 50 10 JIGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2)c(Br)c(Br)c1O 2313511047 KWONMUVUUAEZBZ-UHFFFAOYSA-N 452.102 4.471 50 10 JIGE C#CCOc1c(Cl)cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1Br 2313568512 WJAFPYWLVNAIBL-UHFFFAOYSA-N 484.781 4.370 50 10 JIGE CCN(C[C@](C)(CI)OC[C@H]1COC2(C)CC1C2)C(=O)OC(C)(C)C 2317960306 TWWZFBYAWUIFIX-BOEXQBHPSA-N 467.388 4.269 50 10 JIGE N#CC(=Cc1cccc(Br)c1)C(=O)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 2324522020 GEVNWWHQIFVGRQ-DEOSSOPVSA-N 450.380 4.481 50 10 JIGE CC(C)(CI)CN1C[C@@H]2CC(F)(F)CC[C@@]2(NC(=O)OC(C)(C)C)C1 2326668665 MRGZJWUADPMVNO-SUMWQHHRSA-N 472.358 4.462 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@H]2CC[C@H](Cl)[C@H]2C1 2328659058 PRWFLJDAPUMHPO-SCVCMEIPSA-N 454.533 4.143 50 10 JIGE CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1c(O)ccc2cc(Br)ccc12 2328826150 KRUOYBUIAPASQO-KRWDZBQOSA-N 496.427 4.404 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@H]2C[C@@H](CBr)[C@H]2C1 2330496313 LRGXAEXXFBHVLY-YGOYTEALSA-N 498.984 4.157 50 10 JIGE COCCCN1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4cccs4)cs3)cc2C1=O 2331326288 STQCVZAZGMRMPT-UHFFFAOYSA-N 451.529 4.454 50 10 JIGE COCCN(C)C[C@H](Br)CCc1ccc(Cl)c(I)c1 2337219739 VZUHPQCTEHSUBR-GFCCVEGCSA-N 460.581 4.219 50 10 JIGE C[C@H](Br)[C@H](NC(=O)c1ccc(Cl)cc1I)C(F)(F)F 2340058174 PXGKQFOWGRDFRP-CDUCUWFYSA-N 470.454 4.389 50 10 JIGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)Nc1ccc(F)c(CCl)c1 2364213333 GODSDVALJYCRMN-UHFFFAOYSA-N 452.935 4.163 50 10 JIGE Cc1cccc(C[C@H]2S/C(=C(\C#N)C(=O)NCc3ccco3)N(c3ccc(F)cc3)C2=O)c1 1889006 YUTDUNGJDPVDJC-FNBPXTNNSA-N 461.518 4.470 50 10 JIGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)c2ccccc2Br)cc1 12578842 XJFPDVDDCYFFRI-UHFFFAOYSA-N 452.308 4.085 50 10 JIGE COc1cc(OC)c(/C=N/NC(=O)COc2ccc(C)cc2Br)cc1Br 12581746 VDGMPEIVYLLIIA-ZVBGSRNCSA-N 486.160 4.066 50 10 JIGE CCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)CCCC)cc2)cc1 14029806 ZAPTUMJSTURSAU-UHFFFAOYSA-N 484.622 4.334 50 10 JIGE O=C(NNc1ncnc(NCCc2cccs2)c1[N+](=O)[O-])c1ccc(Cl)cc1Cl 40658845 IFPYLZHBTKHRTD-UHFFFAOYSA-N 453.311 4.165 50 10 JIGE Cc1cc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC3)no1 40823306 CCVFEZHDCIABJD-OXUBWTJQSA-N 484.328 4.126 50 10 JIGE CCOC(=O)COc1cc(Br)c(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1OC 59335403 NVOSCBJLXQFYQB-SXGWCWSVSA-N 473.323 4.254 50 10 JIGE CCn1c(SCC(=O)NN=Cc2ccccc2C(F)(F)F)nnc1-c1ccc(OC)cc1 254379441 ZLIZIJLNYUBRBY-UHFFFAOYSA-N 463.485 4.235 50 10 JIGE O=C(NN=Cc1ccc(OC(=O)c2ccccc2F)cc1)C(=O)Nc1cccc2ccccc12 254402038 GAYBVCROXXGKGJ-UHFFFAOYSA-N 455.445 4.287 50 10 JIGE COc1ccc(-c2cc(C(=O)NN=C/C(Br)=C/c3ccccc3)[nH]n2)c(OC)c1 254756697 BAIBEYYIOPWVNQ-YIZPWNJLSA-N 455.312 4.246 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2CC[C@@H](CBr)[C@@H]2C)cc1Br 385642172 KAYGDGXQCGEPCW-UWVGGRQHSA-N 490.055 4.314 50 10 JIGE C[C@@H]1[C@H](Br)CCCN1C(=O)c1ccc(I)c(Br)c1 721576337 FLQSVPRVQVSHHR-PSASIEDQSA-N 486.973 4.442 50 10 JIGE C[C@H](Br)C(C)(C)NC(=O)c1ccc(I)c(Br)c1 721593106 IKNMQVSJWMWDHL-ZETCQYMHSA-N 474.962 4.346 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CC[C@H](CCBr)C1 721606685 ALSHVRFBKADXKR-VIFPVBQESA-N 486.973 4.301 50 10 JIGE COc1ccc(C(=O)NNC(=O)c2cn(C(C)(C)C)nc2-c2ccccc2Cl)c(OC)c1 730970302 WMCMEICEHLOAQT-UHFFFAOYSA-N 456.930 4.051 50 10 JIGE N#CCCn1cc(/C=C(\C#N)C(=O)OC[C@@H]2CSc3ccccc3O2)c(-c2ccccc2)n1 749080440 FUQLYDHDYXHGCB-UBXANZILSA-N 456.527 4.467 50 10 JIGE COc1cc(C=NNC(=O)C(=O)Nc2cccc(Cl)c2)ccc1OCc1ccc(F)cc1 1083896521 ASYBSSNWCWYFKT-UHFFFAOYSA-N 455.873 4.156 50 10 JIGE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NN(C)c1ccccn1 1147931083 VEQSHBKHMINDBH-XMMPIXPASA-N 456.546 4.423 50 10 JIGE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)n1 1561531295 CRCIHGPTTRAABW-UHFFFAOYSA-N 459.462 4.011 50 10 JIGE C=C(C)[C@H](NC(=O)NNC(=O)Nc1cc(Cl)c(OC)cc1OC)c1ccc(F)c(F)c1 1671851406 FUBRIAZESDNPEH-SFHVURJKSA-N 454.861 4.289 50 10 JIGE BrCC[C@@H]1CCN(c2ncc(I)cc2Br)C1 1988531872 YVXADRAMSWVDRM-MRVPVSSYSA-N 459.951 4.060 50 10 JIGE CN(c1ncc(I)cc1Br)[C@H]1CCC[C@@H]1Br 1988535641 YOGNTJMMULJGQD-WPRPVWTQSA-N 459.951 4.201 50 10 JIGE CC1(C)CN(c2ncc(I)cc2Br)C[C@H]1CBr 2015766362 SEWLSQVEIJHELU-MRVPVSSYSA-N 473.978 4.306 50 10 JIGE CCN(CC)S(=O)(=O)C[C@H](Br)c1cc(Br)sc1Br 2028948904 MFHNADVBRCQCNJ-QMMMGPOBSA-N 484.073 4.381 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@H]2[C@H](Cl)CC[C@H]2C1 2087933023 PRWFLJDAPUMHPO-HOSYDEDBSA-N 454.533 4.143 50 10 JIGE Cn1nnc(Br)c1COc1c(Br)cc(Br)cc1CCl 2089733836 ZSTWFSCGRVMKRN-UHFFFAOYSA-N 474.378 4.420 50 10 JIGE O=C(c1c(Br)cccc1Br)N1CC[C@@H]2[C@@H](CBr)[C@@H]2C1 2094100832 WJDVPLBVTJFAOE-OPRDCNLKSA-N 451.984 4.315 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CC[C@H](CCl)C12CC2 2133799116 NPPDJUDSWATYHY-SNVBAGLBSA-N 454.533 4.287 50 10 JIGE CC1(C)CN(Cc2ccccc2)CCN1S(=O)(=O)c1ccc(CCl)c(Br)c1 2159736626 IYIWDTCIDVFSJA-UHFFFAOYSA-N 471.848 4.473 50 10 JIGE CC1(C)CO[C@H](CBr)CN1C(=O)c1cccc(Br)c1Br 2167527941 WOQQCCAUKGUXAN-SECBINFHSA-N 469.999 4.226 50 10 JIGE CC(C)(C)OC(=O)NC1CC(C[S@](C)(=O)=NC(=O)c2ccc(CBr)cc2)C1 2172246864 LHGQYTDJSYHNKZ-JQEWTOSISA-N 459.406 4.123 50 10 JIGE CC(C)(C)OC(=O)NCC(F)(F)[C@@H]1CCCCN1C(=O)[C@H](Br)C1CCCC1 2185170883 WXAGCNZDHORKGX-LSDHHAIUSA-N 453.368 4.481 50 10 JIGE O=S(=O)(NC1CC([C@H](F)CBr)C1)c1cc(Br)ccc1Br 2199055846 FBZNTJFZUNGGSW-LKXRVVKTSA-N 494.018 4.002 50 10 JIGE C[C@@H]1CCN(C(=O)Cc2cc(Br)cc(Br)c2)C[C@H]1Br 2277937016 RINQWWHIZSJZRY-NOZJJQNGSA-N 454.000 4.386 50 10 JIGE N#CC(=CN1CCN(c2cccc(C(F)(F)F)c2)CC1)S(=O)(=O)c1ccc(Cl)cc1 2296531989 ZNKXJHWSTXPSDR-UHFFFAOYSA-N 455.889 4.320 50 10 JIGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2c(Cl)nc(Cl)n2C)sc2c1CCCC2 2297445092 QWDFXUGMOOMBAW-UHFFFAOYSA-N 453.351 4.390 50 10 JIGE CCOC(O)=C(C#N)[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)Nc1ccccc1)[n+]1ccccc1 2313505999 CANNDDXDOICCNG-GOTSBHOMSA-O 459.482 4.176 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1CC[C@H]2C[C@]1(CBr)C2 2340055303 DORGUWFLCRKOFY-DEZZCRIOSA-N 454.533 4.334 50 10 JIGE O=C(NN=C1CCS(=O)(=O)c2ccc(F)cc21)c1ccc(COc2cccc3cccnc23)cc1 13068502 XOAJQEYCJYOMIF-UHFFFAOYSA-N 489.528 4.264 50 10 JIGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2Br)cc1 14025631 DVVRIDBKMYBVJJ-UHFFFAOYSA-N 478.412 4.358 50 10 JIGE Cc1c(Br)cc(NCC(=O)N/N=C\c2ccc(N(C)C)cc2)cc1Br 33154845 WVNADLCFSUUTMY-YVNNLAQVSA-N 468.193 4.148 50 10 JIGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(-c3ccccc3)cc2)c(OC)c1 40878993 PJALFTUZXJZMCC-XQNSMLJCSA-N 486.524 4.016 50 10 JIGE COc1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 205645554 QSDSADZOWZACME-GRLJGPAPSA-N 469.453 4.440 50 10 JIGE Cc1ccccc1SCC(=O)NN=C1C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 1084543391 BGMBLBREUZMEDN-UHFFFAOYSA-N 460.515 4.063 50 10 JIGE CC(=NNC(=O)COc1c(C)cc(Br)cc1Br)c1ccc(N)cc1 1084572217 PKKAPDXAKLFZNF-UHFFFAOYSA-N 455.150 4.021 50 10 JIGE COc1ccc(-c2ccc(C(=O)NNC(=O)CCC(=O)c3ccc(Cl)cc3)c(C)n2)cc1OC 1865758413 YWGLKNUIGZTBQH-UHFFFAOYSA-N 481.936 4.152 50 10 JIGE CCN1C(=O)COc2ccc(/C(C)=N/NC(=O)c3ccc(-c4ccc(F)cc4F)nc3C)cc21 1865763238 BMFOTVKRKGLKHX-IPPBACCNSA-N 464.472 4.235 50 10 JIGE CN(C[C@@H](Br)COCc1ccccc1)S(=O)(=O)c1ccc2c(c1)CCCC2 1916334368 FUPKNKHQKNFNBV-HXUWFJFHSA-N 452.414 4.166 50 10 JIGE O=C(N[C@H]1CC[C@@H](Br)C1)c1cc(Br)ccc1I 2008594193 MHKFJVGAASKVFP-APPZFPTMSA-N 472.946 4.100 50 10 JIGE C[C@H](Br)C(C)(C)NC(=O)c1ccc(Br)cc1I 2026217374 KKWAVSKVLXUERO-ZETCQYMHSA-N 474.962 4.346 50 10 JIGE O=C(NCC1CC(CBr)C1)c1ccc(Br)cc1I 2086149844 SSWDWLHAUCQHSQ-UHFFFAOYSA-N 486.973 4.205 50 10 JIGE O=C(c1csc(Br)c1Br)N1CC2(C1)OCCC[C@H]2Br 2103420542 YLTAEQPNDUYXCA-MRVPVSSYSA-N 474.012 4.042 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@@H]2C[C@H](C[C@@H]2Br)C1 2107291901 CJAQAYLAJSWMFN-PTRXPTGYSA-N 498.984 4.299 50 10 JIGE C[C@]12CN(C(=O)c3ccc(Br)cc3Br)C[C@@]1(CBr)C2 2109181632 HMMUKPVUWSCTEW-KBPBESRZSA-N 451.984 4.459 50 10 JIGE O=C(c1cc(Br)cc(Br)c1)N1C[C@@H]2CC[C@H](C1)C2Br 2111473226 FQNBLJLUGZSXTO-PHXKMMTBSA-N 451.984 4.457 50 10 JIGE FC(F)(F)[C@H]1CN(c2ncc(I)cc2Br)C[C@H]1CCl 2133385994 ZIDRPWDSCKSCMP-SVRRBLITSA-N 469.470 4.302 50 10 JIGE CCCN1CC[C@@H]([C@@H](Br)c2cc(Br)ccc2Br)S1(=O)=O 2145770060 RKIJTZYFVWUSEF-STQMWFEESA-N 490.055 4.462 50 10 JIGE CSCC[C@H](Br)CCNS(=O)(=O)c1ccc(Br)cc1Cl 2146553650 DQGKHJWWKOTRMF-SECBINFHSA-N 465.660 4.288 50 10 JIGE Cn1ncc(Br)c1-n1c(CCl)nc2cc(I)c(F)cc21 2155773089 UYUQXFPAIQSGJZ-UHFFFAOYSA-N 469.483 4.004 50 10 JIGE C[C@@]12CN(S(=O)(=O)c3cc(Br)ccc3Br)C[C@]1(CBr)C2 2165489396 QGXUPOMGLOIYRH-CHWSQXEVSA-N 488.039 4.007 50 10 JIGE C[C@H](Br)CN1CCCN(C(=O)c2cc(Br)sc2Br)CC1 2176858494 RMTATROEYXLBIH-VIFPVBQESA-N 489.071 4.204 50 10 JIGE O=S(=O)(c1csc(CBr)c1)N1CCC[C@@]2(CCN(Cc3ccccc3)C2)C1 2179825811 LOLVZIXEBHTLOX-FQEVSTJZSA-N 469.470 4.320 50 10 JIGE CCc1ccc(CBr)cc1S(=O)(=O)N1CCN(Cc2ccccc2)[C@@H](C)C1 2179858213 LNPPKNCPGJRRJC-KRWDZBQOSA-N 451.430 4.039 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1[C@H]2CC[C@H]1[C@H](F)[C@H](Br)C2 2190680461 WMJZGBSOSVHBJM-GAQJKIJGSA-N 472.523 4.423 50 10 JIGE C[C@@H](NC(=O)c1ccc(I)c(Br)c1)c1nnc(CCl)s1 2192617241 GKBGWPWKHXNOIB-ZCFIWIBFSA-N 486.560 4.135 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@](CI)(O[C@@H]2CC[C@H]3[C@@H]2C3(F)F)C1 2216575624 AIFZPRATUYYZAJ-RSUWNVLCSA-N 457.299 4.251 50 10 JIGE C[C@H]1CCN(C(=O)Cc2cc(Br)cc(Br)c2)C[C@H]1Br 2277937018 RINQWWHIZSJZRY-TVQRCGJNSA-N 454.000 4.386 50 10 JIGE Cc1cc(C)cc(Oc2nc3ccccn3c(=O)c2C=C(C#N)S(=O)(=O)c2ccccc2)c1 2296846340 CIMCIIVPKQBAGI-UHFFFAOYSA-N 457.511 4.442 50 10 JIGE C[C@]1(NC(=O)c2sccc2I)C[C@H]2CC[C@H]1C[C@H]2Br 2352774739 DBTIHCZEYCERAU-PUXPGTEJSA-N 454.171 4.425 50 10 JIGE COc1ccc([C@@H](Br)c2c(Br)c(Br)nn2C)c(OC)c1 2364064754 VNGCODWVOPASGV-SNVBAGLBSA-N 468.971 4.447 50 10 JIGE Cc1cccc(C[C@@H]2S/C(=C(\C#N)C(=O)NCc3ccco3)N(c3ccc(F)cc3)C2=O)c1 1889000 YUTDUNGJDPVDJC-SCIJIFGBSA-N 461.518 4.470 50 10 JIGE CC(C)(C)c1ccc(C(=O)NNC(=S)NC(=O)COc2ccc(Cl)cc2Cl)cc1 13978949 KIZVLVAKSHQYHC-UHFFFAOYSA-N 454.379 4.005 50 10 JIGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)CCC(=O)Nc2ccccc2)c(C(C)(C)C)c1 14661668 MEQDARTVWBPXFY-UHFFFAOYSA-N 453.583 4.227 50 10 JIGE Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)NNC(=O)COc1ccccc1-c1ccccc1 17201899 BGFNHMKNZQRELD-UHFFFAOYSA-N 478.911 4.480 50 10 JIGE N#CC1=C(N)OC2=C([C@H]1c1ccccc1)S(=O)(=O)N(Cc1ccccc1F)c1ccccc12 20558516 LQUJPLPEQATUPU-QFIPXVFZSA-N 459.502 4.352 50 10 JIGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)c1OC 38658896 SZWBTHFDFCRYMY-IZHWHUGBSA-N 490.487 4.434 50 10 JIGE Cc1c(C(=O)NC2CC(C)(C)NC(C)(C)C2)oc2c1/C(=N/NC(=O)c1ccc(F)cc1)CCC2 40811969 YDXVJBJHMAWMSM-VUTHCHCSSA-N 468.573 4.237 50 10 JIGE COc1ccc(C(=O)Oc2c(Cl)cc(C=NNC(=O)c3cccc([N+](=O)[O-])c3)cc2OC)cc1 252626012 QUGSAOFMGWINFP-UHFFFAOYSA-N 483.864 4.249 50 10 JIGE O=C(NN=Cc1c(Nc2cccc(C(F)(F)F)c2)nc2ccccn2c1=O)c1ccccc1[N+](=O)[O-] 254819961 PHHWQKPVVPRABW-UHFFFAOYSA-N 496.405 4.129 50 10 JIGE Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NN=Cc3c(O)ccc4ccccc34)cc2)cc1 254865730 SJTJNHKYCYNXLI-UHFFFAOYSA-N 459.527 4.419 50 10 JIGE CC[C@@H](NC(=O)c1cc(Br)ccc1I)[C@@H](C)Br 386746680 ZTXFKEFLUYMYBN-RDDDGLTNSA-N 474.962 4.346 50 10 JIGE C[C@@H]1CCCN(C(=O)c2ccc(F)cc2I)[C@@H]1CCBr 700330554 UWUIETMICBEATQ-QMTHXVAHSA-N 454.121 4.456 50 10 JIGE O=C(NC[C@@H]1CC[C@@H](Br)C1)c1ccc(I)c(Br)c1 721615543 RRQNLWOLVNDEKO-PSASIEDQSA-N 486.973 4.347 50 10 JIGE CC(=O)C(C)(C)CCC(=O)NNC(=O)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1 1440605650 LKNHMBBKEPHNLK-UHFFFAOYSA-N 457.530 4.157 50 10 JIGE COc1ccc([C@H]2CN(Cc3ccccc3)C[C@H]2CI)cc1[N+](=O)[O-] 1614615269 PCLFPGMXFXLCRF-IAGOWNOFSA-N 452.292 4.254 50 10 JIGE O=C(CCCN1C(=O)c2ccccc2C1=O)NNc1ccc(OCCOc2cccc(Cl)c2)cc1 1858080661 MDVUYKPKKLWMQH-UHFFFAOYSA-N 493.947 4.317 50 10 JIGE CCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865697315 ZMBABWQRKHDCNQ-IBGZPJMESA-N 469.314 4.319 50 10 JIGE BrCCN(CC1CC1)c1ncc(I)cc1Br 1988532244 DJSVBTCFROFVHH-UHFFFAOYSA-N 459.951 4.060 50 10 JIGE CCOC(=O)Cc1cc(I)c(Br)c(CBr)c1 2054989411 NRWQSCAIUNTKON-UHFFFAOYSA-N 461.919 4.054 50 10 JIGE O=C(Cl)c1c(I)ccc(I)c1OC(F)(F)F 2060019576 URDLMFNFKKGPDQ-UHFFFAOYSA-N 476.357 4.173 50 10 JIGE O=C(CBr)c1cc(I)c(OC(F)F)cc1OC(F)(F)F 2060375645 CQHBUFHFPVWQNQ-UHFFFAOYSA-N 474.945 4.369 50 10 JIGE C[C@@H](Br)CCc1cn(-c2ccc(I)c(Br)c2)nn1 2068991348 MSJDSDJJILMQRB-MRVPVSSYSA-N 484.961 4.350 50 10 JIGE CC1(C)CO[C@H](CBr)CN1C(=O)c1cc(Br)sc1Br 2111233826 KZIGFMHELWIXEJ-SSDOTTSWSA-N 476.028 4.288 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CCC2(CC(Cl)C2)C1 2117409993 SGTQGMZKIMZTHC-UHFFFAOYSA-N 454.533 4.287 50 10 JIGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CC2(CCC2)C[C@H]1CBr 2151493508 ZUFHSOWLPZVHJT-QMMMGPOBSA-N 463.644 4.492 50 10 JIGE O=S(=O)(NC[C@H](Br)CC(F)(F)F)c1ccc(Cl)c(Br)c1 2175688471 FWVRFFZQEPQURC-ZCFIWIBFSA-N 459.509 4.097 50 10 JIGE CN(Cc1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2cc(F)ccc2CBr)C1 2179776032 QGSOPJQQUNICMI-LJQANCHMSA-N 455.393 4.006 50 10 JIGE COc1c(CBr)cc(Cl)cc1S(=O)(=O)N(Cc1ccccc1)[C@@H]1CCOC1 2179827805 JHYPSQZAKBBOKS-QGZVFWFLSA-N 474.804 4.223 50 10 JIGE C[C@]1(C2CC2)CN(S(=O)(=O)c2ccsc2CBr)CCN1Cc1ccccc1 2179871219 XMTVMACMJQFYHN-HXUWFJFHSA-N 469.470 4.318 50 10 JIGE O=S(=O)(c1cc(Cl)c(Br)s1)N1[C@H]2CC[C@@H]1C[C@H](CBr)C2 2184579961 JCRPXDWRDIZFMH-AYMMMOKOSA-N 463.644 4.491 50 10 JIGE C[C@H]1CN(C(=O)c2ccc(Cl)c(I)c2)CC[C@H]1CBr 2268353716 NMGIDWLBHWQIBE-ONGXEEELSA-N 456.549 4.438 50 10 JIGE O=S1(=O)C[C@H]2C([C@H](Br)c3c(F)cc(Br)c(F)c3Br)[C@@H]2C1 2288345113 BVYGRPWABJJWOU-INWPNSDISA-N 494.977 4.216 50 10 JIGE CCOc1cc(C=C(C#N)C(=O)N(C)C)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 2294155985 XZMKSBMZXAXJLY-UHFFFAOYSA-N 474.311 4.330 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@H]2C[C@H](Br)C[C@H]2C1 2295311830 POSFLGPJGFNZEY-YABSGUDNSA-N 466.011 4.386 50 10 JIGE COc1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccccc3OC)nc3c(C)cccn3c2=O)cc1 2296542740 HDTSEJACJVWCLO-UHFFFAOYSA-N 482.496 4.358 50 10 JIGE O=C(CCc1nc2ccccc2[nH]c1=O)NN=Cc1cccc(OCc2cccc(Cl)c2)c1 2321685114 FQINBPXHBOHSCO-UHFFFAOYSA-N 460.921 4.238 50 10 JIGE COc1cccc(C=NNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)c1OCc1ccccc1 2328833113 AKXHWXVLQIHIIG-NRFANRHFSA-N 455.555 4.274 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1[C@H]2CC[C@@H]1C[C@@H]2CBr 2329071735 RPWGQNMUZOUERM-JQEORGNBSA-N 454.533 4.333 50 10 JIGE N#CC(=C(O)CNC(=O)c1ccc(Cl)cc1)c1nc(-c2ccc3c(c2)OCCO3)cs1 2331330116 XMXBPUUOQMWBRL-UHFFFAOYSA-N 453.907 4.457 50 10 JIGE BrC[C@H]1CCC2(CN(Cc3cccc(Br)c3Br)C2)O1 2336714123 MPVXROFAMODONZ-LLVKDONJSA-N 454.000 4.340 50 10 JIGE CCCCC(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 13985897 PUQWTFHYPVFNAW-UHFFFAOYSA-N 454.596 4.062 50 10 JIGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2[C@H](C)CC)cc1 14030116 OEEPJFJLZKFWFI-QGZVFWFLSA-N 457.596 4.094 50 10 JIGE COc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cc(OC)c(OC)c(OC)c3)ccc21 38650009 AKHZAKRYHNWJEI-XMMPIXPASA-N 488.496 4.158 50 10 JIGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc32)c1OC 38659045 OPLDEDJOLVPZRN-JOCHJYFZSA-N 473.441 4.049 50 10 JIGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)cc1 38701358 BRYYQDOFDGKLOW-JWQCQUIFSA-N 470.481 4.049 50 10 JIGE COc1ccc2cc3c(nc2c1)N(c1ccc(C(=O)NNC(=O)c2ccccc2F)cc1)CC3 39881715 YGIBSTCXRUAWDJ-UHFFFAOYSA-N 456.477 4.152 50 10 JIGE Cc1cc(C)c(OCC(=O)N/N=C/c2cc(Br)ccc2O)c(Br)c1 97136493 SDDYCKGAPXIJGX-DNTJNYDQSA-N 456.134 4.063 50 10 JIGE COC(=O)c1ccc(C=NNC(=O)c2cc(-c3cccc(OCc4ccccc4)c3)n[nH]2)cc1 254294564 WBELVMIMGNRJHM-UHFFFAOYSA-N 454.486 4.206 50 10 JIGE CC[C@@H]1CN(S(=O)(=O)c2cc(Br)ccc2Br)C[C@@H]1Br 399841760 GSEZIHWHBYNVFB-KCJUWKMLSA-N 476.028 4.006 50 10 JIGE O=C(NC1(CCBr)CCCCC1)c1cc(I)ccc1O 687326875 RJXBZWUMUOZSPU-UHFFFAOYSA-N 452.130 4.215 50 10 JIGE COCCn1c(C)cc(/C=C(\C#N)C(=O)NC[C@H](c2c(F)cccc2Cl)N2CCCC2)c1C 915178501 HRPSUCISURRRCP-POEBIKTISA-N 472.992 4.404 50 10 JIGE O=C(CCCCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NN=Cc1cc([N+](=O)[O-])ccc1O 1084064654 FIIYXVQXUOIJPK-UHFFFAOYSA-N 483.403 4.350 50 10 JIGE Cc1ccc(N(CC(=O)NN=Cc2ccccc2C(F)(F)F)S(=O)(=O)c2ccc(F)cc2)cc1 1084358150 LOMUGSLWHOWCEL-UHFFFAOYSA-N 493.482 4.499 50 10 JIGE COc1ccccc1/C(C#N)=C/c1cccc(OC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c1 1615179635 WNRFKCXNEOJAGO-HMMYKYKNSA-N 462.527 4.229 50 10 JIGE O=C(c1cc(Br)sc1Br)N1C[C@H](Br)C(F)(F)C1 1946671469 XZGRIESRDOJVQA-YFKPBYRVSA-N 453.928 4.128 50 10 JIGE C[C@]1(CCBr)CCN1c1ncc(I)cc1Br 1994700666 QEQJNHMWROCFOW-NSHDSACASA-N 459.951 4.203 50 10 JIGE CC[C@@H](NC(=O)c1ccc(Br)cc1I)[C@@H](C)Br 2026222069 SWMYFVDLPBTXIG-RDDDGLTNSA-N 474.962 4.346 50 10 JIGE O=C(N[C@H](CCBr)C1CC1)c1cc(I)ccc1Br 2029969175 AOQWUPIMGNMMTO-GFCCVEGCSA-N 486.973 4.347 50 10 JIGE C[C@@H](Cl)C(=O)NC(=O)Nc1cc(Br)c(Br)c(Br)c1 2034339045 LXMFVVPMKNWBKM-SCSAIBSYSA-N 463.351 4.250 50 10 JIGE O=S1(=O)CC[C@@H]([C@H](CBr)Cc2cc(Br)ccc2Br)C1 2118525008 PLKGMGDXDIWBCG-KOLCDFICSA-N 475.040 4.200 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CC[C@H](Br)[C@@H]2CC[C@@H]21 2142278366 BQOMMHJVVZDRSC-GAFUQQFSSA-N 498.984 4.442 50 10 JIGE CSCC[C@@H](Br)CCNS(=O)(=O)c1ccc(Cl)c(Br)c1 2146555789 UIQLVUGWGZNBCZ-VIFPVBQESA-N 465.660 4.288 50 10 JIGE C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1NS(=O)(=O)c1ccc(CBr)cc1 2155547497 CTDATEQAGSMZQK-IRXDYDNUSA-N 451.430 4.016 50 10 JIGE CCN1CCC[C@@H]([C@@H](Cl)c2ccc(Br)cc2I)S1(=O)=O 2207268679 NBBGKAAUMGONQJ-STQMWFEESA-N 492.604 4.148 50 10 JIGE CN(C[C@H](Br)COCc1ccccc1)C[C@@H]1CC1(Br)Br 2209113792 NWJBRUJGJSVINW-KBPBESRZSA-N 470.043 4.405 50 10 JIGE CN(C[C@@H]1C[C@@H]1Br)C(=O)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229124388 XNNJRESWIYIKTJ-BPUTZDHNSA-N 490.236 4.127 50 10 JIGE O=C(NC1CC([C@H](F)CBr)C1)c1ccc(Cl)c(I)c1 2268345874 GXVKVAVMQNROQA-NWGYLPEXSA-N 460.512 4.186 50 10 JIGE CC(C)(C)[C@@H]1[C@@H](Br)CCN1C(=O)c1c(F)cccc1I 2282786835 JKKAQBHXXSQGTJ-ZANVPECISA-N 454.121 4.454 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@H](CBr)C2(CC2)C1 2295307716 NVVUYLYISTZILY-NSHDSACASA-N 466.011 4.388 50 10 JIGE Cc1cc(Br)c(-n2cc(COC[C@H](C)Br)nn2)c(Br)c1 2295832478 FETSLRHSTVQUNS-VIFPVBQESA-N 467.987 4.401 50 10 JIGE F[C@@H]1C[C@H](Br)CN(Cc2ccc(I)c(Br)c2)C1 2306220032 SKMJIALHAZNPRN-VHSXEESVSA-N 476.953 4.361 50 10 JIGE O=C(C=Cc1ccccc1Cl)NC(=S)NNC(=O)c1ccc(OCc2ccccc2)cc1 2313743411 BQYYLWILPXRULP-UHFFFAOYSA-N 465.962 4.268 50 10 JIGE CCOCCCN1C(=O)C(=Cc2ccc(OCc3ccc(F)cc3)c(OC)c2)C(C)=C(C#N)C1=O 2314617872 CEYUKEHCOYQENU-UHFFFAOYSA-N 478.520 4.432 50 10 JIGE CCOc1cc(C=C2C(=O)N(CCOC)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 2314618220 JOOCMEVEZOZYPO-UHFFFAOYSA-N 464.493 4.042 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1[C@H]2CC[C@H](C2)[C@@H]1CCl 2330984362 OXYNDPOLPYIBDH-DVYJOKAKSA-N 454.533 4.286 50 10 JIGE O=C(Nc1ccc(CBr)c(F)c1)c1ccc(I)c(O)c1 2367689604 PYYFAGQPHWITOV-UHFFFAOYSA-N 450.045 4.283 50 10 JIGE N#C/C(=C/Nc1ccc(S(N)(=O)=O)cc1)c1nc(-c2ccc(Br)cc2)cs1 1243028 GLNVYJYRSACKNV-RAXLEYEMSA-N 461.366 4.197 50 10 JIGE Cc1ccc(OCC(=O)NNC(=O)COc2ccc(-c3ccccc3)cc2Br)c(C)c1 14642093 YDLNWFMFDOAWFA-UHFFFAOYSA-N 483.362 4.338 50 10 JIGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 14648334 NOKXIBHNAYDAIQ-UHFFFAOYSA-N 464.316 4.391 50 10 JIGE O=C1/C(=C\NNC(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc2C(=O)N1Cc1ccccc1 38189045 UGXGLGMSMUTATP-JLPGSUDCSA-N 455.558 4.047 50 10 JIGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc1 38660442 CBGFVFBAMOFAAF-XMMPIXPASA-N 488.496 4.158 50 10 JIGE COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1 48572020 NRFKMKJGIVHEIJ-LGJNPRDNSA-N 486.311 4.310 50 10 JIGE O=C(CSc1nnc(CCc2ccccc2)n1-c1ccccc1)N/N=C/c1ccc(O)cc1 58989537 IIWSMDPATZWTAK-YZSQISJMSA-N 457.559 4.001 50 10 JIGE CS/C(=C(\C#N)C(=O)c1ccc(Cl)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 83291708 YJCABWHVDQRYMW-FCDQGJHFSA-N 455.967 4.167 50 10 JIGE COC(=O)c1ccc(C(=O)OC)c(N/C=C(/C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)c1 102416421 OWFFTNFPXDZACI-VBKFSLOCSA-N 487.493 4.466 50 10 JIGE COc1ccc(CN2C(=O)[C@@H]3CCCN3c3ccc([N+](=O)[O-])cc3/C2=C(\C#N)NC(C)(C)C)cc1 105006029 HJUHSPAICCZAIF-HHUUSFLGSA-N 475.549 4.195 50 10 JIGE COc1ccc2c(-c3ccccc3)c(C(=O)NNC(=O)c3cc(Br)cn3C)oc2c1 108846732 GEJZAVGHJPHUBS-UHFFFAOYSA-N 468.307 4.284 50 10 JIGE CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1 206273860 BZMBGVGKEZXAIZ-MNDPQUGUSA-N 477.546 4.002 50 10 JIGE CCc1ccc(NC(=O)C(=O)NN=C(C)CC(=O)Nc2ccc(Nc3ccccc3)cc2)cc1 254379100 RAGMJFGIVRLILR-UHFFFAOYSA-N 457.534 4.452 50 10 JIGE COc1cc(C[C@@H](Cl)c2ccc(I)c(Br)c2)ncn1 721576805 ITYBSJOHNMBUSX-LLVKDONJSA-N 453.505 4.375 50 10 JIGE Cc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)Nc3ccccc3Cl)cc2)cc1C 725393849 XBJGCIPNTSVABJ-UHFFFAOYSA-N 478.936 4.063 50 10 JIGE N#CCCn1cc(/C=C(/C#N)C(=O)OCc2nccn2C(F)F)c(-c2ccc(Cl)cc2)n1 913972919 DWRURLOCIWWSDI-GDNBJRDFSA-N 456.840 4.359 50 10 JIGE Cc1c(C(=O)NCc2ccco2)oc2c1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772747076 KZLBPQQJUPEXGR-UHFFFAOYSA-N 483.340 4.101 50 10 JIGE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865709873 JAKMXKFCUUDJDN-OAQYLSRUSA-N 493.907 4.045 50 10 JIGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(O)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865714797 QKAJINWLQRYCRM-LJQANCHMSA-N 496.321 4.419 50 10 JIGE C[C@@H](Br)[C@H]1CCN1Cc1ccc(I)c(Br)c1 1904346995 YJJCNEFNFJCMNK-PRHODGIISA-N 458.963 4.411 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N(C)[C@H](C)CCBr)cc1Br 1917075018 WLGDXZQRMWEPCK-SECBINFHSA-N 478.044 4.314 50 10 JIGE Brc1cc(I)cnc1N1CC[C@@H](Br)CC12CC2 2015758225 FCQFCRITRRKDGU-MRVPVSSYSA-N 471.962 4.345 50 10 JIGE O=C(Cl)c1c(I)ccc(OC(F)(F)F)c1I 2060031733 AEMSNTUEJLAEQP-UHFFFAOYSA-N 476.357 4.173 50 10 JIGE O=C(CCl)c1ccc(C(F)F)c(I)c1I 2060383878 JBHGOXYJUSRBFG-UHFFFAOYSA-N 456.395 4.255 50 10 JIGE O=C(N[C@H]1CCC[C@H](Br)C1)c1ccc(Br)cc1I 2086152315 ZRTFZODEEYLYQV-WPRPVWTQSA-N 486.973 4.490 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CC[C@H](Cl)[C@@H]1C1CC1 2130609066 XAQUFDTZAKSLOX-STQMWFEESA-N 454.533 4.286 50 10 JIGE C[C@@H](CCCCCI)NS(=O)(=O)c1ccc(F)cc1Br 2174523882 OOXMANMJJFPXEK-JTQLQIEISA-N 478.165 4.250 50 10 JIGE C[C@H](c1cc(Br)cs1)N(C)S(=O)(=O)CCC(F)(F)CBr 2186580316 ZBTXDFYMVVFNEW-MRVPVSSYSA-N 455.184 4.254 50 10 JIGE CN(C[C@H]1C[C@@H](Br)C1)C(=O)[C@H]1C[C@@H](C(F)(F)F)CCN1C(=O)OC(C)(C)C 2196908392 XIFWBJLOQHJJMO-IGQOVBAYSA-N 457.331 4.196 50 10 JIGE CC(C)(C)OC(=O)NC[C@@H]1CC[S@](=O)(=NCC2(CBr)CC(F)C2)C1(C)C 2265631303 BOKBUACBIPLLFM-NLWFOGEZSA-N 455.434 4.291 50 10 JIGE CN(Cc1ccccc1I)S(=O)(=O)c1cc(CBr)cs1 2280336910 SYXVQITUTFWAEC-UHFFFAOYSA-N 486.194 4.068 50 10 JIGE C[C@H]1CN(C(=O)C(C#N)=C2NC(=NC(=O)c3ccc(Cl)cc3Cl)c3ccccc32)C[C@H](C)O1 2296532765 YCXPLKUXWIZFDJ-KBPBESRZSA-N 483.355 4.054 50 10 JIGE CCCOc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=C(C)c2ccc(O)cc2)cc1 2296735011 ZVXSHMKEHOXEKB-UHFFFAOYSA-N 457.530 4.492 50 10 JIGE O=C(N[C@H](CCCl)COCc1ccccc1)c1cccc(F)c1I 2303699524 AICVDGJYCCRZSN-CQSZACIVSA-N 461.702 4.374 50 10 JIGE CCN(C[C@](C)(CI)OC[C@H]1CO[C@]2(C)C[C@H]1C2)C(=O)OC(C)(C)C 2318558323 TWWZFBYAWUIFIX-LTDCPUDJSA-N 467.388 4.269 50 10 JIGE CCN(Cc1ccccc1)c1ccc(C=NNC(=O)CCc2nc3ccccc3[nH]c2=O)cc1 2323097961 BFDXRUCBFDUWOJ-UHFFFAOYSA-N 453.546 4.033 50 10 JIGE COc1ccc(-c2csc(C(C#N)=C(O)[C@H](C)N3C(=O)c4ccccc4C3=O)n2)c(OC)c1OC 2331412662 SUOAIDLTKRZXDV-ZDUSSCGKSA-N 491.525 4.313 50 10 JIGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCC[C@H](CCBr)CC1 2364194982 LOJNCBPHEKSKJO-GOSISDBHSA-N 499.471 4.060 50 10 JIGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H](CBr)CC1CCCC1 2364214161 LOROHDCZTFERNJ-SFHVURJKSA-N 499.471 4.106 50 10 JIGE Cn1nc(Br)c(Br)c1C(=O)NCC[C@H]1CCCC[C@H]1Br 2364227558 AJBAXXPJZDHTGP-RKDXNWHRSA-N 472.019 4.019 50 10 JIGE COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NNC(=O)c2cn(C)c3ccccc23)cc1OC 10736714 QKOQYDHWBQHTKQ-UHFFFAOYSA-N 495.539 4.123 50 10 JIGE C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=S)NC(=O)C(c1ccccc1)c1ccccc1 14031738 QBEUVWLYUVRQBB-IBGZPJMESA-N 483.593 4.461 50 10 JIGE CCCCOc1ccc(C(=O)NNC(=O)COc2ccccc2Cl)cc1Br 14041288 FPTCQSIAVBGHFX-UHFFFAOYSA-N 455.736 4.121 50 10 JIGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)/C=C\c1cccc2ccccc12 34956500 JZUYCDXCTXZZCD-WBYGGXTKSA-N 461.587 4.467 50 10 JIGE CCN(c1ncnc(NNC(=O)c2cccc([N+](=O)[O-])c2)c1[N+](=O)[O-])c1cccc2ccccc12 40589278 YVCULAJVJOXKMC-UHFFFAOYSA-N 473.449 4.361 50 10 JIGE Cc1c(C(=O)N2CCCC2)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 40816322 LVQHUAHLZHEIGV-PCLIKHOPSA-N 464.349 4.366 50 10 JIGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2ccc(C(C)C)cc2)c(OC)c1 40950097 LPNJQRILHYXJQN-CJLVFECKSA-N 480.561 4.253 50 10 JIGE CN1/C(=C(/C#N)C(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)Nc2ccccc21 103446514 GNTZHPAHOUZXBC-GFMRDNFCSA-N 450.564 4.120 50 10 JIGE O=C(c1cc(Br)ccc1I)N(CCBr)CC(F)F 236263388 QZWOOBSBJLDGMC-UHFFFAOYSA-N 496.915 4.156 50 10 JIGE CC(=O)Oc1ccc(C=NN(C(C)=O)c2nc(-c3ccc(F)cc3)cs2)c(OC(C)=O)c1 252629508 UHWMRXRWDUVLLL-UHFFFAOYSA-N 455.467 4.187 50 10 JIGE COc1ccc(C(=O)NCC(=O)NN=Cc2c(OC(=O)c3ccc(C)cc3)ccc3ccccc23)cc1 254762488 RMZNCVQNZJUURJ-UHFFFAOYSA-N 495.535 4.256 50 10 JIGE BrCC(CBr)(C[C@@H]1COCCO1)c1ccccc1Br 708576552 CTADCXGGTVCVAH-LLVKDONJSA-N 457.000 4.282 50 10 JIGE O=C(N[C@H](CCBr)C1CCCC1)c1cc(I)ccc1O 725036702 HUVAXNCYUHWWER-CYBMUJFWSA-N 452.130 4.070 50 10 JIGE CCSS(=O)(=O)c1ccc(N2C(=O)CSC2=NC(=O)c2cc3ccccc3o2)cc1 1772743093 KOBCKQZMEWRDEK-UHFFFAOYSA-N 460.558 4.151 50 10 JIGE CC(C)Oc1cccc(/C=N/NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1 1860773569 AOTGXELYIYESOF-ZQNSDAJCSA-N 452.580 4.081 50 10 JIGE CCCn1nc(CC)c2c1OC(N)=C(C#N)[C@@H]2c1cc(Br)cc(Br)c1O 1865701512 XFCLFCVAKXRFOA-AWEZNQCLSA-N 482.176 4.304 50 10 JIGE CCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1cc(OC)c(OC)cc1OC)C(C#N)=C(N)O2 1865712042 OOLAQSCBPNZGIU-NRFANRHFSA-N 466.925 4.332 50 10 JIGE O=S(=O)(c1cc(CBr)sc1Br)N(Cc1ccccc1)[C@H]1CCOC1 2009622542 RROULMJRLPQCDS-ZDUSSCGKSA-N 495.258 4.385 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC[C@](C)(F)C(F)(F)F)C1 2017066170 HBUPGLUNSTUMDW-UONOGXRCSA-N 469.257 4.498 50 10 JIGE COc1ccc(CN2C(=O)C(=CNNC(=O)CC34CC5CC(CC(C5)C3)C4)c3ccccc3C2=O)cc1 2040441431 DMZZVMRLEYSBLB-UHFFFAOYSA-N 499.611 4.446 50 10 JIGE O=C(N[C@@H]1C[C@H](CBr)[C@H]2C[C@H]21)c1scc(Br)c1Br 2048009626 PPHNNCPUTCSBEU-JXOAFFINSA-N 458.013 4.422 50 10 JIGE FC(F)Oc1c(I)cc(CBr)cc1I 2060285009 STQCHGPJJGSFNL-UHFFFAOYSA-N 488.835 4.392 50 10 JIGE O=C(NC[C@H]1CC[C@@H](Br)C1)c1ccc(Br)cc1I 2086147904 UFVPZGYHUHNXPT-DTWKUNHWSA-N 486.973 4.347 50 10 JIGE O=S(=O)(N[C@@H]1CC[C@H](Br)C1)c1c(Cl)cc(Br)cc1Cl 2121472504 FCZWKBKKKYAUGQ-POYBYMJQSA-N 451.995 4.350 50 10 JIGE CN(C(=O)c1ccc(I)c(O)c1)[C@H]1CCCCC[C@@H]1Br 2172549093 YGTSOAGFTINREV-AAEUAGOBSA-N 452.130 4.165 50 10 JIGE COc1ccc(Br)c(CBr)c1OCc1cc(Br)n(C)n1 2236036624 FFBPACMAMWIELE-UHFFFAOYSA-N 468.971 4.428 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1CCSC[C@@H]1CCBr 2268347919 VACXCHVOQVGRGE-JTQLQIEISA-N 474.589 4.287 50 10 JIGE O=C(c1csc(I)c1)N1Cc2ccccc2C[C@@H]1CBr 2296320324 QERKLUHDJQRFKO-CYBMUJFWSA-N 462.150 4.315 50 10 JIGE COc1cc(C=C(C#N)C(=O)NC(C)C)cc(Br)c1OCc1ccc(C(=O)O)cc1 2297504540 FZFQUFWVACCRMG-UHFFFAOYSA-N 473.323 4.166 50 10 JIGE O=C(NN=Cc1cccc(OC(=O)c2cccc(Br)c2)c1)c1ccc2c(c1)OCCO2 2297672163 LSQQLLZRAJKVAD-UHFFFAOYSA-N 481.302 4.203 50 10 JIGE CCCOc1ccccc1C=C(C#N)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1OC 2314774212 XWBVRLCEFIMCSK-UHFFFAOYSA-N 471.579 4.060 50 10 JIGE O=C(N[C@H]1C[C@@H](CBr)[C@H]2C[C@@H]12)c1c(Br)cccc1Br 2329870257 MXKWNWDPKXVDPF-HAYRHPOISA-N 451.984 4.361 50 10 JIGE COc1ccc([C@@H](Br)c2c(Br)c(Br)nn2C)cc1OC 2364062801 CIGXQOWCKOSMTA-SNVBAGLBSA-N 468.971 4.447 50 10 JIGE Cc1ccccc1OCC(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1ccco1 3081324 CEHFIPIGHVVMKO-FSJBWODESA-N 457.280 4.099 50 10 JIGE COC1=C/C(=C/NNC(=O)c2cc(-c3ccccc3OC(C)C)nc3ccccc23)C=CC1=O 13122155 VPDCHCSTWAKPCY-FBMGVBCBSA-N 455.514 4.477 50 10 JIGE CCc1ccc(/C=C2/SC(=S)N(CCCC(=O)NNC(=O)c3ccc(Cl)cc3)C2=O)cc1 34389165 UTLIFVVZJNEEAP-XMHGGMMESA-N 488.034 4.345 50 10 JIGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)NC[C@H]3CCCO3)c(Oc3ccc(C(C)(C)C)cc3)nc12 34807599 DAZPKAXZXMYAPF-JXTFVVQCSA-N 486.572 4.295 50 10 JIGE CCOC(=O)c1cccc(Nc2ncnc(NNC(=O)c3ccc(Cl)cc3Cl)c2[N+](=O)[O-])c1 40658806 OMAGIONXXHUGIQ-UHFFFAOYSA-N 491.291 4.369 50 10 JIGE Cc1c(C(=O)N2CCCCC2)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 40811780 GZNXKEAWDFGULW-JJIBRWJFSA-N 458.356 4.447 50 10 JIGE CC(C)(C)c1ccc2c(c1)O[C@H](C(=O)N/N=C1\C(=O)N(CCc3ccccc3)c3ccccc31)CO2 102656935 ZNBWUZNFALVKIL-YVARBQMLSA-N 483.568 4.234 50 10 JIGE CCOc1c(Br)cc(/C=N/NC(=O)Cc2cc(OC)ccc2Cl)cc1OC 169922111 XIDKWKCXTISYRX-SSDVNMTOSA-N 455.736 4.211 50 10 JIGE CCN(CC)c1ccc(/C=N\NC(=O)c2ccc(Nc3nc4ccccc4c(=O)[nH]3)cc2)cc1 169927855 QHMPRMAVAGURLB-PKAZHMFMSA-N 454.534 4.277 50 10 JIGE COc1cc(OC)cc(C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccccc3)cc2OC)c1 206394631 FUWGNXFYQDQCOG-NHDPSOOVSA-N 472.497 4.155 50 10 JIGE O=C(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NN=Cc1ccccc1OCc1ccc(Cl)cc1 252625493 QLFROCKGCKSJNJ-UHFFFAOYSA-N 468.853 4.428 50 10 JIGE Cc1ccsc1C=NNC(=O)[C@@H]1CCCN(CC(=O)Nc2cc(Cl)ccc2Cl)C1 254290210 JFNWDARYQRRSTJ-CQSZACIVSA-N 453.395 4.164 50 10 JIGE Cc1cc(C=NNC(=O)Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)n1-c1ccc2c(c1)OCO2 254514373 VMBVIIUDARWICY-UHFFFAOYSA-N 488.422 4.443 50 10 JIGE CCOC(=O)c1c(NC(=O)C(=O)NN=C/C(C)=C\c2ccccc2)sc2c1CC[C@H](C)C2 254737345 ZQPIMJCFQFITOW-QXCGHEITSA-N 453.564 4.194 50 10 JIGE O=S(=O)(N[C@@H]1CCC[C@H](CBr)C1)c1cc(Br)ccc1Br 312431901 LYOWATQGLDTTQW-GXSJLCMTSA-N 490.055 4.444 50 10 JIGE CN(C[C@@H]1CCC[C@@H]1Br)S(=O)(=O)c1cc(Br)ccc1Br 689295423 LJDKHBRZSCHUGM-ONGXEEELSA-N 490.055 4.396 50 10 JIGE BrCC(CBr)(C[C@@H]1COCCO1)c1ccc(Br)cc1 690875982 GHXCZIXVNZYQEB-CYBMUJFWSA-N 457.000 4.282 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CCC[C@H](CBr)C1 721606909 BCXZLULSBIFYLS-SECBINFHSA-N 486.973 4.301 50 10 JIGE COc1ccc(OC)c(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2F)CCC3)c1 1772743966 MRDLVKGCAWQWCC-UHFFFAOYSA-N 465.481 4.467 50 10 JIGE Cc1c(C(=O)NCCc2cccs2)oc2c1C(=NNC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 1772744580 XEACMNGIDPUCPJ-UHFFFAOYSA-N 466.519 4.001 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2F)[C@H]1c1ccccc1[N+](=O)[O-] 1865709812 HIAGHOBKSUHWNL-INIZCTEOSA-N 459.359 4.216 50 10 JIGE N#C/C(=C(/O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2ccc(F)cc2F)cs1 1872817900 CIEONUFRXRLDNJ-JXAWBTAJSA-N 482.424 4.475 50 10 JIGE CCOc1ccc(/C=C(/C(=O)N2CCC[C@@H](C(=O)NNc3ccccn3)C2)c2ccccc2)cc1 1873777303 DVYBTNLIBSBELO-ABRDEJFMSA-N 470.573 4.403 50 10 JIGE O=C(c1ccc(F)cc1I)N1[C@H]2CCC[C@H]1CC(Br)C2 1922766733 QGVYGEJZCPCSHO-RYUDHWBXSA-N 452.105 4.351 50 10 JIGE CC(C)(C)OC(=O)NCCCN(C(=O)[C@H]1C[C@@H]1Br)c1cccc(Br)c1 2076173747 SXULLDOKHQEHFH-GJZGRUSLSA-N 476.209 4.480 50 10 JIGE O=C(N[C@@H]1CC[C@@H]2C[C@@]21CBr)c1ccc(I)c(Cl)c1 2132114608 FHFFSBKPWPLKIX-GAJTVXKRSA-N 454.533 4.238 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CC[C@H](Br)[C@@H]2CC[C@@H]21 2133723999 SYPSYGQIHLOZNJ-GAFUQQFSSA-N 498.984 4.442 50 10 JIGE O=C(c1cccc(F)c1I)N1C[C@@H]2CCC[C@@]2(CBr)C1 2159403919 FPQXKPDGMOHKAH-ZUZCIYMTSA-N 452.105 4.068 50 10 JIGE O=C(c1ccc(F)cc1I)N1CC[C@H](Br)CC12CCC2 2169883920 BLUNKNDAEPLSEH-JTQLQIEISA-N 452.105 4.353 50 10 JIGE CCc1ccc(S(=O)(=O)N2CCCN(Cc3ccccc3)CC2)cc1CBr 2179861934 OKDCXSFHRSXLTO-UHFFFAOYSA-N 451.430 4.041 50 10 JIGE CCCN[C@H](c1cc(I)cc2c1OCC2)[C@H]1C[C@@H](Br)C1 2196881351 SGYOEEZRFWEYDK-ZOWXZIJZSA-N 450.158 4.440 50 10 JIGE O=C(c1csc(Br)c1Br)N1C[C@@H]2CC[C@@H](CBr)O[C@H]2C1 2289340372 MPWBLEMOTCUXDJ-NRPADANISA-N 488.039 4.288 50 10 JIGE COCCn1nc(Br)nc1N(Cc1ccccc1)C1(CBr)CCC1 2307994221 YEIIWAHXHGWKHU-UHFFFAOYSA-N 458.198 4.011 50 10 JIGE CCCCOCCCNC(=O)C(C#N)=CN1CCN(C(c2ccccc2)c2ccccc2)CC1 2324726204 VMJQPTJEDMYTBH-UHFFFAOYSA-N 460.622 4.124 50 10 JIGE COc1c(C)cc(C)cc1-c1csc(C(C#N)=C(O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)n1 2331376366 WQKYUEDRQKCEDZ-UHFFFAOYSA-N 490.497 4.433 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1CC(F)(F)C[C@@H]1CBr 2340060996 JFUYPAXZBMWZND-MRVPVSSYSA-N 464.475 4.189 50 10 JIGE Cc1ncnc(N(C)CC[C@H](Br)c2cccs2)c1I 2340488651 IHCYQPYDEWXXOQ-JTQLQIEISA-N 452.159 4.414 50 10 JIGE CC[C@H](Oc1ccc(C)cc1)C(=O)NNC(=O)COc1ccc(C(C)C)cc1Br 14013975 IPJZXXRJZNCPRB-IBGZPJMESA-N 463.372 4.265 50 10 JIGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 14030198 QNCOQSGZCNBUTC-UHFFFAOYSA-N 490.585 4.067 50 10 JIGE CCCCCC(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 14040317 YNOVQVMKLRLWHH-UHFFFAOYSA-N 472.177 4.471 50 10 JIGE CCCOC(=O)c1ccc(OCC(=O)NNC(=O)[C@H](CC)Oc2ccc(-c3ccccc3)cc2)cc1 14768918 GKOUUZGWPHAOHX-VWLOTQADSA-N 490.556 4.304 50 10 JIGE O=C(N[C@@H](Cc1ccccc1)C(=O)NNC(=O)c1ccc(-c2ccc(F)cc2)s1)c1cccs1 28661836 JZYPYOJENLYUHE-IBGZPJMESA-N 493.585 4.418 50 10 JIGE COc1ccccc1C(=O)N/N=C/c1sc(=O)n(Cc2ccc(Br)cc2)c1Cl 33959596 HADDXELWAKVKQG-LSHDLFTRSA-N 480.771 4.147 50 10 JIGE COc1cc(/C=N/NC(=O)COc2cc(C)c(Br)cc2C(C)C)cc([N+](=O)[O-])c1O 40910463 PCKFDQVFBGJXGT-LSFURLLWSA-N 480.315 4.032 50 10 JIGE COc1cc(/C=C2/C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 101337376 SALGVKCLQMLGIZ-JLDPKJTDSA-N 476.504 4.185 50 10 JIGE CCOc1cc(/C=N\NC(=O)c2cccn(C(C)C)c2=O)ccc1OCc1ccccc1F 169919108 BWGQWOJTNVIBJT-DICXZTSXSA-N 451.498 4.310 50 10 JIGE CCOc1ccc(/C=C(/C#N)C(=O)Oc2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1OC 206966452 MMWSNHUQEVQJER-AQTBWJFISA-N 468.465 4.407 50 10 JIGE CCOc1ccccc1OCC(=O)NN=Cc1ccc(OC(=O)c2cccs2)c(OCC)c1 254854383 NPJORGUFXBYYMQ-UHFFFAOYSA-N 468.531 4.294 50 10 JIGE BrC1=CCc2c3c(n(-c4ccc(Br)cc4)c2=C1)=C[C@@H](Br)C=C3 575448673 QBOQUHHKTKXXII-LBPRGKRZSA-N 482.013 4.426 50 10 JIGE CCOC(=O)O[C@]1(C(=O)OCCl)CC[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3C(=O)C[C@@]21C 725240262 UJMSHOQZQCLVEP-APJTYGECSA-N 464.942 4.125 50 10 JIGE CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)c2ccc(Cl)cc2)(c2ccccc2)CC1 727112476 LIVVCNIZIUYGEY-UHFFFAOYSA-N 457.958 4.070 50 10 JIGE CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)NNC(=O)COc1ccccc1-c1ccccc1)O[C@H](C)C2 730468783 GACHUSUQRWOGEF-RVSNTGDXSA-N 486.568 4.406 50 10 JIGE Cc1ccccc1[C@H](C)NC(=O)[C@H](C)OC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1 853447002 BFKBGMRCWJIWPN-NPKALDHYSA-N 481.556 4.488 50 10 JIGE N#CCCn1cc(/C=C(/C#N)C(=O)N2CCC([C@@H](O)c3ccccc3)CC2)c(-c2ccccc2)n1 914536057 GNLZFHOMYJVNMH-HCWVEKLQSA-N 465.557 4.343 50 10 JIGE COc1ccccc1C=NNC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1 1083994817 NLFVHTZUQXNOLY-UHFFFAOYSA-N 471.966 4.003 50 10 JIGE CCOc1c(Br)cc(C=NNC(=O)COc2ccccc2Br)cc1OC 1772753756 HIMICRYHHKIVAZ-UHFFFAOYSA-N 486.160 4.148 50 10 JIGE COc1cccc(-c2ccc(C(=O)NNC(=O)CCC(=O)c3ccc(Br)cc3)c(C)n2)c1 1865758798 RORPKMWXSQGHNK-UHFFFAOYSA-N 496.361 4.252 50 10 JIGE COc1cc(/C=N\NC(=O)c2ccc(-c3ccc(F)cc3)nc2C)cc(Br)c1O 1865760569 DVASRUUWNNFNOS-MYKKPKGFSA-N 458.287 4.437 50 10 JIGE CC[C@@H](NC(=O)Cc1nc(-c2cccc(OC)c2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866675782 KBILYYJNJIWIEW-HXUWFJFHSA-N 464.547 4.308 50 10 JIGE ClC[C@@H](CC1CCOCC1)Nc1ncc(I)cc1Br 1883292938 OQFNHPMBUPRCQB-LLVKDONJSA-N 459.553 4.285 50 10 JIGE CN(C[C@H](Br)COCc1ccccc1)C(=O)Cc1ccccc1Br 1916365536 YICQDRJCIAJEFJ-KRWDZBQOSA-N 455.190 4.430 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OCCOC2CCCC2)C1 1940266672 GZXYAWHVFFRQEI-SFHVURJKSA-N 453.361 4.167 50 10 JIGE CN([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(Br)c(CCl)c1 2088571719 UFOYDCHNGHEBHB-KRWDZBQOSA-N 457.821 4.083 50 10 JIGE O=S(=O)(N[C@H]1CC[C@H](CBr)CC1)c1cc(Cl)c(Br)s1 2118470706 OGZAGQGTPZGNJZ-ZKCHVHJHSA-N 451.633 4.396 50 10 JIGE CN([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(CBr)c(Cl)c1 2123210653 OVOZKFYORJKCOE-KRWDZBQOSA-N 457.821 4.130 50 10 JIGE C[C@@]1(CBr)COCCN(Cc2cccc(Br)c2Br)C1 2135090149 NBCUTUCWKWPWCL-AWEZNQCLSA-N 456.016 4.445 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CC[C@H](Br)C2(CC2)C1 2142279345 OXBFRSMTWFSVGC-LBPRGKRZSA-N 498.984 4.443 50 10 JIGE O=C(NC[C@]1(F)CC[C@H](CBr)CC1)c1ccccc1I 2178578935 FAGMFTGRLANTIU-FUKZOUPISA-N 454.121 4.314 50 10 JIGE O=S(=O)(c1ccc(Cl)c(CBr)c1)N1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2179793721 YATPIDUZDQZXDV-HDICACEKSA-N 469.832 4.272 50 10 JIGE C[C@H]([C@@H](Br)c1cc(Br)c(Br)cc1F)S(C)(=O)=O 2213493615 WPLOXRCGGHOSLI-GPXNAGAYSA-N 452.965 4.220 50 10 JIGE C[C@@H](Cl)c1nc2cncnc2n1-c1cc(Br)ccc1I 2235283941 MVDMGNUZESULRV-SSDOTTSWSA-N 463.504 4.482 50 10 JIGE COc1ccc([C@@H](Br)c2cc(Br)n(C)n2)cc1I 2257356443 LHVWBFQHADQBEP-GFCCVEGCSA-N 485.945 4.280 50 10 JIGE CC[C@H]1[C@@H](Br)CCN1S(=O)(=O)c1cc(Br)ccc1Br 2273188088 ADXXXOAJTGFQLC-ONGXEEELSA-N 476.028 4.148 50 10 JIGE C[C@]1(CBr)CCN(C(=O)Cc2cc(Br)cc(Br)c2)C1 2277936593 NTSCFTSNNDBRNC-CQSZACIVSA-N 454.000 4.388 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@@H]2CC[C@@H](Br)[C@H]2C1 2295307916 QPBGGIDCMDPBFK-LEWSCRJBSA-N 466.011 4.386 50 10 JIGE N#CC(=Cc1ccc(OCc2cccc([N+](=O)[O-])c2)cc1)C(=O)N1CCN(c2ccccc2)CC1 2297333659 HZDQVDDZFNICLH-UHFFFAOYSA-N 468.513 4.430 50 10 JIGE Cc1sc(Br)cc1S(=O)(=O)N[C@H](CCCl)COCc1ccccc1 2303768452 JDUWTXFIPONCEJ-CQSZACIVSA-N 452.823 4.312 50 10 JIGE CCN(CC)CCOC(=O)c1ccc(NC(=O)C(C#N)=Cc2cccc(Br)c2)cc1 2329696521 JQPHPJSZHKUGBX-UHFFFAOYSA-N 470.367 4.493 50 10 JIGE ClC[C@@H](C[C@@H]1CCCO1)NCc1ccc(I)c(Br)c1 2349858237 VNEWXMCGTDSISM-NEPJUHHUSA-N 458.565 4.320 50 10 JIGE CC[C@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)COc2ccccc2[C@H](C)CC)c1 10670304 ZLZCOTGHKMFRIM-SJORKVTESA-N 457.596 4.092 50 10 JIGE CCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc3ccccc3c2)cc1 14029723 ZDJUQPMWSQLCQC-UHFFFAOYSA-N 465.575 4.123 50 10 JIGE CCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(Cl)cc1Cl 14036154 DOEUVSOBQSGPKB-UHFFFAOYSA-N 484.405 4.277 50 10 JIGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=S)NC(=O)/C=C\c2cccc3ccccc23)c1 34984267 YEIWCBRDYFRAJI-OWBHPGMISA-N 461.587 4.386 50 10 JIGE C[C@@H](Cl)C(=O)NC(=O)Nc1c(Br)cc(Br)cc1Br 37327834 VRKPGMXOXHXYDA-SCSAIBSYSA-N 463.351 4.250 50 10 JIGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc32)cc1OC 38658443 GQUUPTIZQCFQJC-HSZRJFAPSA-N 473.441 4.049 50 10 JIGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc32)cc1OC 38658681 IKMSUWWJDQKUTI-QHCPKHFHSA-N 473.441 4.049 50 10 JIGE Cc1c(C(=O)NCc2cccnc2)oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2 40812846 LKYNULYIEMLGPW-OVVQPSECSA-N 481.350 4.146 50 10 JIGE N#C/C(=C\c1cc(Br)c(N2CCOCC2)o1)C(=O)Nc1ccc(Br)cc1 59249872 NSFBHAZGEKRINB-FMIVXFBMSA-N 481.144 4.187 50 10 JIGE C/C(=N/NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)c1ccc2c(c1)Nc1ccccc1S2 96714004 FFEMMDPNFOKLJJ-ROTLSHHCSA-N 472.979 4.350 50 10 JIGE COc1cc(/C=N\NC(=O)c2cccc(N)c2)cc(Br)c1OCc1ccccc1 169894133 AMPAGRCCGAFPTR-MXAYSNPKSA-N 454.324 4.383 50 10 JIGE Cc1cc(OCC(=O)NN=Cc2ccccc2OC(=O)c2ccc3c(c2)OCO3)ccc1Cl 252632231 VRDPCAYUWZIBQV-UHFFFAOYSA-N 466.877 4.125 50 10 JIGE COc1cccc(C=NNC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)c1 254746285 PELWDLXGJZREFY-UHFFFAOYSA-N 465.575 4.164 50 10 JIGE O=C(NN=Cc1ccc2c(c1)OCCO2)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 254765430 PXQDYSQRWVVRIY-UHFFFAOYSA-N 473.436 4.012 50 10 JIGE O=S(=O)(N[C@H]1CCC[C@@H](CBr)C1)c1cc(Br)ccc1Br 312431903 LYOWATQGLDTTQW-KOLCDFICSA-N 490.055 4.444 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2CC[C@H](Br)C[C@@H]2C)cc1Br 705595229 CZZWDWCXHMJUGO-UWVGGRQHSA-N 490.055 4.457 50 10 JIGE C[C@@]1(CBr)CCCCN1S(=O)(=O)c1cc(Cl)c(Br)s1 723010037 WNZONLHZHMUZMT-NSHDSACASA-N 451.633 4.492 50 10 JIGE Cc1ccc(-c2cc(C(=O)NNC(=O)NCc3ccc(C#N)cc3F)c3ccccc3n2)cc1 729880014 SCHIDQSFGYUYGA-UHFFFAOYSA-N 453.477 4.365 50 10 JIGE CCNC(=O)c1cccc(CNC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)c1 918581601 CAYMHTJRMPZYMQ-STZFKDTASA-N 486.963 4.090 50 10 JIGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)Nc2cccc(C(C)C)c2)cc1 920848617 FYAQZCARNFPULQ-DEDYPNTBSA-N 457.534 4.103 50 10 JIGE Cc1cccc(N(CC(=O)NN=Cc2cc(Br)c(C)o2)S(=O)(=O)c2ccccc2)c1 1084025823 RPTXNCSRWMMYGQ-UHFFFAOYSA-N 490.379 4.005 50 10 JIGE CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3C)cc1OC 1865697197 PEUMEPJSIBWRSL-SFHVURJKSA-N 481.350 4.475 50 10 JIGE CCCc1nn(CC)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865705436 VXRQACMXKYWBON-JOCHJYFZSA-N 458.518 4.301 50 10 JIGE O=C(N[C@@H](CBr)C[C@H]1CCOC1)c1cc(Br)sc1Br 1883291579 GIDOFPBASRIUHL-HTQZYQBOSA-N 476.028 4.193 50 10 JIGE Fc1cc(Br)cc(-n2cc(I)cn2)c1CBr 1980876790 JDYNPGOWVQZLRS-UHFFFAOYSA-N 459.882 4.273 50 10 JIGE CC(C)(C)OC(=O)N1CC(N(Cc2ccccc2)S(=O)(=O)c2ccc(CCCl)cc2)C1 1999493162 ZSHKHVUVNPVNAS-UHFFFAOYSA-N 465.015 4.278 50 10 JIGE O=C(NCCC(F)(F)CBr)c1cc(Br)c(Br)s1 2012619007 XCOOXNBJUGDDMU-UHFFFAOYSA-N 455.944 4.423 50 10 JIGE COc1nccc(C)c1-n1nc(CBr)c(I)c1C(F)(F)F 2078933761 WXCVPXSERIDWCH-UHFFFAOYSA-N 476.034 4.103 50 10 JIGE O=C1Cc2cc([C@@H](Cl)c3cc(I)sn3)c(Br)cc2N1 2120031552 JLBJJSTZMJRUIC-GFCCVEGCSA-N 469.529 4.333 50 10 JIGE C[P@]1(=O)C[C@@H](Br)[C@H](NC(=O)c2cc(Br)cc(Br)c2)C1 2121336574 HNXGHKBDUITWNY-BFKGZMGPSA-N 473.927 4.080 50 10 JIGE O=S(=O)(c1cc(CBr)cs1)N1[C@H]2CCC[C@H]1CN(Cc1ccccc1)C2 2125908818 LRMWMEBDKMPFOU-ROUUACIJSA-N 455.443 4.071 50 10 JIGE BrCc1cc(Br)cc(Br)c1OCC1COCCOC1 2131437386 FJRTUXVDIPCNAI-UHFFFAOYSA-N 458.972 4.148 50 10 JIGE C[C@@H]1C[C@H](N(C)S(=O)(=O)c2ccc(CCl)c(Br)c2)CN1Cc1ccccc1 2154840684 SZOOACGTEMKNJI-QAPCUYQASA-N 471.848 4.471 50 10 JIGE C[C@@](CBr)(NS(=O)(=O)c1ccc(Br)cc1Cl)C(F)(F)F 2161374134 FDPJSJJKCSXWGF-VIFPVBQESA-N 459.509 4.097 50 10 JIGE O=S(=O)(c1csc(CBr)c1)N1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 2179818599 BIZNZXDEFQJFAH-YLJYHZDGSA-N 469.470 4.318 50 10 JIGE CCN(CCCOCc1ccccc1)S(=O)(=O)c1cc(CBr)ccc1OC 2179858865 UXCCXEOETRUPEI-UHFFFAOYSA-N 456.402 4.208 50 10 JIGE O=S1(=O)C[C@H]2[C@@H](C1)[C@@H]2[C@@H](Br)c1cc(Br)c(Br)cc1F 2225616932 KKTGRWUUDQDXSZ-QEPVFIOASA-N 476.987 4.077 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@@](CBr)(O[C@H]2CCN(Cc3ccccc3)C2)C1 2242051917 YZXUAJLBYMQLJW-UGKGYDQZSA-N 453.421 4.442 50 10 JIGE O=C(N[C@H]1C[C@@H]([C@@H](F)CBr)C1)c1ccc(Cl)c(I)c1 2268345872 GXVKVAVMQNROQA-NGZCFLSTSA-N 460.512 4.186 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N[C@H]1CCC[C@@H]1CBr 2277936597 NTVHUICTJYUYTQ-MFKMUULPSA-N 454.000 4.434 50 10 JIGE O=C(c1c(F)cccc1I)N1[C@H](CBr)C[C@@H]2CCC[C@@H]21 2282795078 QIXRQIPNHJYLAJ-KWBADKCTSA-N 452.105 4.208 50 10 JIGE CCOc1ccc(Br)cc1C=C(C#N)C(=O)Nc1sc(C(=O)N(C)C)c(C)c1C#N 2295737053 BTUBTMAVIVSPSF-UHFFFAOYSA-N 487.379 4.337 50 10 JIGE C=CCNC(=O)C(C#N)=C1S[C@@H](Cc2cccc(C(F)(F)F)c2)C(=O)N1c1ccc(OC)cc1 2314593206 JKULEWKLIPHGLF-FQEVSTJZSA-N 487.503 4.442 50 10 JIGE COc1cc(C=C2C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 2314618702 SALGVKCLQMLGIZ-FQEVSTJZSA-N 476.504 4.185 50 10 JIGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccccc2Br)c(OC)c1 2314785122 NXYWVHFWDCOGQV-UHFFFAOYSA-N 487.350 4.265 50 10 JIGE C[C@](CBr)(NC(=O)c1ccc(Cl)cc1I)C(F)F 2317774465 QJTPGVVSBBDMQI-LLVKDONJSA-N 452.464 4.093 50 10 JIGE O=S(=O)(Cc1cccc(Br)c1)N[C@H](CCBr)COCc1ccccc1 2320358320 MRBXIHMKVQSDQM-GOSISDBHSA-N 491.245 4.239 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1[C@H]2CC[C@@H]1C[C@H]2CBr 2329070586 CDIOGZYKMGXEFI-CWSCBRNRSA-N 454.533 4.333 50 10 JIGE Clc1ccc(CN2[C@H](CBr)C[C@H]3OCC[C@@H]32)cc1I 2337225947 RNBHWKIFGJGRRM-LEWSCRJBSA-N 456.549 4.071 50 10 JIGE Clc1ccc(I)cc1CN1CC[C@@H](OCCCBr)C1 2352415541 JBKQXEGHJFPMKZ-CYBMUJFWSA-N 458.565 4.321 50 10 JIGE Cc1ccc(CBr)cc1NC(=O)c1c(Br)c(Br)nn1C 2364006837 KSUPIZPVMAYIFU-UHFFFAOYSA-N 465.971 4.401 50 10 JIGE Cc1ccc(O[C@@H](C)C(=O)NNC(=O)COc2ccc(Br)cc2C(C)(C)C)cc1C 10153386 KMYKPDHYHDNFQO-INIZCTEOSA-N 477.399 4.357 50 10 JIGE Cc1cc(C)c2c(c1)/C(=N\NC(=O)c1ccc(Cn3nnc(-c4ccccc4)n3)cc1)CCC2 33784267 LRMNORYHTRGCSF-FVDSYPCUSA-N 450.546 4.476 50 10 JIGE O=C(COc1ccc(Br)cc1Br)NNc1nc2ccccc2s1 40840425 XOYHKTPSOAGEFW-UHFFFAOYSA-N 457.147 4.343 50 10 JIGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCC#N)c(Br)c2)cc1 58893833 UIPGKYLERHUASD-WEPUMBSASA-N 494.773 4.367 50 10 JIGE COc1cc(/C=C2/C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1 101337250 HMGZOUFWISSHKU-XWRADEMYSA-N 458.514 4.045 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)NC2(CBr)CCC2)cc1Br 123301735 FIXRNCCEUUUMEW-UHFFFAOYSA-N 476.028 4.116 50 10 JIGE C[C@@H](CCCBr)NS(=O)(=O)c1cc(Br)ccc1Br 136687470 HOKZRAGSTYQUJL-QMMMGPOBSA-N 464.017 4.054 50 10 JIGE C=CCn1c(CNc2ccccc2)nnc1SCC(=O)NN=Cc1ccc(N(CC)CC)cc1 254759458 WFPGGEJYLYIWCN-UHFFFAOYSA-N 477.638 4.165 50 10 JIGE COc1cc(N)ccc1[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1CI 382709067 GHHSZALXRBJGNP-QAPCUYQASA-N 466.319 4.065 50 10 JIGE COc1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)c(N)c1 394501502 BGUBMKQGUROOCZ-CRAIPNDOSA-N 466.319 4.065 50 10 JIGE O=S(=O)(c1cc(Cl)c(Br)s1)N1C[C@H]2C[C@@H](Br)CC[C@H]2C1 398836274 NFEXMDNHJPFALB-YIZRAAEISA-N 463.644 4.348 50 10 JIGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)cc1 920847514 FSXWTJTZZYTFHO-KGENOOAVSA-N 465.513 4.133 50 10 JIGE COC(=O)c1ccc(C=NNC(=O)c2ccccc2NC(=O)c2ccccc2Br)cc1 1084277191 RJBPGOMEAXQAJB-UHFFFAOYSA-N 480.318 4.252 50 10 JIGE N#C/C(=C\c1ccccc1OCc1cccc([N+](=O)[O-])c1)C(=O)N1CCN(c2ccccc2)CC1 1084401282 TZAOYRAXGSFPBU-PTGBLXJZSA-N 468.513 4.430 50 10 JIGE C#Cc1cccc(NC(=S)NNC(=O)[C@H](CNC(=O)OC(C)(C)C)C2CCCCCC2)c1 1637299117 KEHBMSPDPPCXCX-HXUWFJFHSA-N 458.628 4.097 50 10 JIGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2)oc2c1C(=NNC(=O)c1cccc(Cl)c1)CCC2 1772746447 UQHFCEORXMLKNX-UHFFFAOYSA-N 499.354 4.440 50 10 JIGE CSCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NNC(=O)OC(C)(C)C 1923403696 PCIVEDROYHPHIG-OAQYLSRUSA-N 485.606 4.203 50 10 JIGE Cc1nc(I)c(I)n1-c1c(F)cc(CCl)cc1F 2028591312 RVNLVOMPYNZUSH-UHFFFAOYSA-N 494.448 4.407 50 10 JIGE O=C(NN=CC(Br)=Cc1ccccc1)c1cccc(S(=O)(=O)N2CCCCC2)c1 2040448560 FLSYDVIIBDIOFP-UHFFFAOYSA-N 476.396 4.013 50 10 JIGE COc1cc(C=C(C#N)c2nc(=N)[nH]c(=Nc3ccccc3)[nH]2)ccc1OCc1ccc([N+](=O)[O-])cc1 2053541915 SYBRCROZZPYTIK-UHFFFAOYSA-N 495.499 4.010 50 10 JIGE O=C(c1scc(Br)c1Br)N1CC[C@]2(C[C@@H](Br)CO2)C1 2137145773 TULVHSOMPTYFEC-KRTXAFLBSA-N 474.012 4.042 50 10 JIGE Brc1ccc(CN2CC[C@]3(C[C@@H](Br)CO3)C2)c(Br)c1 2137150245 YNQPVRDKXOSCCA-OCCSQVGLSA-N 454.000 4.340 50 10 JIGE C[C@@H]1C[C@H](N(C)S(=O)(=O)c2cc(F)ccc2CBr)CN1Cc1ccccc1 2179786466 AVNCNJMPRSKXLB-BEFAXECRSA-N 455.393 4.004 50 10 JIGE CC(C)(C)OC(=O)NC[C@@H]1CN(CCCCCI)C[C@H]1C(F)(F)F 2214711941 RJARUXGAYROENX-CHWSQXEVSA-N 464.310 4.227 50 10 JIGE O=C(c1cc(F)c(Br)cc1Cl)N1C[C@@H](Br)[C@H](Br)C1 2256015510 VXDSFKZDCHQXFY-HTQZYQBOSA-N 464.354 4.224 50 10 JIGE COC(=O)c1ccccc1NC(=O)C(C#N)=Cc1ccc(OC)c(OC(=O)c2ccc(OC)cc2)c1 2295459738 SVPVBWBTQSFTQL-UHFFFAOYSA-N 486.480 4.255 50 10 JIGE COc1cccc2cc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)NC[C@H]3CCCO3)oc12 2314450623 HPQKFEMCCZAINZ-JOCHJYFZSA-N 468.513 4.496 50 10 JIGE CCN(CC)C(=O)COc1ccc(C=NNC(=O)c2ccc(-c3ccccc3OC)nc2C)cc1 2321250868 CSFHPULPRMTCMT-UHFFFAOYSA-N 474.561 4.077 50 10 JIGE O=C(c1cc(Br)ccc1I)N1[C@H]2CC[C@H](C2)[C@@H]1CCl 2330992675 VBAAGRGYKNKZRE-DVYJOKAKSA-N 454.533 4.286 50 10 JIGE ClCCCCc1cn(Cc2ccc(I)c(Br)c2)nn1 2349922027 ZURVODJEJIJGCZ-UHFFFAOYSA-N 454.537 4.255 50 10 JIGE CCn1c(SCC(=O)NNC(=O)c2ccc(Cl)cc2)nnc1-c1ccc(Cl)cc1Cl 9848378 VXBVRPWBTNFNOX-UHFFFAOYSA-N 484.796 4.479 50 10 JIGE CC[C@H](C)c1ccccc1O[C@H](CC)C(=O)NNC(=O)c1ccccc1I 10682156 BIQRUZRWORFSHI-KBXCAEBGSA-N 480.346 4.423 50 10 JIGE COc1ccc(/C=C/C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1OC 12403527 BCIDPWKMHFBQNP-YRNVUSSQSA-N 491.382 4.003 50 10 JIGE Cc1ccc2c(c1)/C(=N/NC(=O)CCCCCNC(=O)c1ccccc1Cl)C(=O)N2C(C)C 38180208 VSNRMLLFUSSOIN-FAJYDZGRSA-N 468.985 4.214 50 10 JIGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)cc1 38683282 QKIQZAJWNDZRJK-XMMPIXPASA-N 490.899 4.329 50 10 JIGE O=C(COc1ccccc1Cl)N/N=C1\C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 40846363 LRWQGPVPXQAWPY-QYQHSDTDSA-N 454.313 4.440 50 10 JIGE CC(=O)Nc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OC(=O)Cc2ccccc2)cc1 59500490 MGJUPGORNQXQFZ-YSMPRRRNSA-N 494.345 4.320 50 10 JIGE CNC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(C)c(C)c1 101240771 PZRPLIVIRQQMMN-ODXGNSPJSA-N 470.392 4.238 50 10 JIGE Cc1cc(S(=O)(=O)N(CCBr)Cc2ccccc2)sc1Br 147590607 QJXREPBTDPOVQU-UHFFFAOYSA-N 453.221 4.405 50 10 JIGE COc1ccccc1/C=C(/C#N)C(=O)Oc1ccc2cc(C(=O)NCCc3ccccc3)c(=O)oc2c1 206545085 BFXJOSQZUNQYDQ-JCMHNJIXSA-N 494.503 4.287 50 10 JIGE CC(=O)Nc1ccc(N/C=C(/C#N)C(=O)Nc2ccc(I)cc2C)cc1 217253656 SGAKKGTVBNIUJK-KAMYIIQDSA-N 460.275 4.016 50 10 JIGE COC(=O)c1ccc(C=NNC(=O)CSc2nc3ccccc3n2Cc2ccccc2)cc1 254396296 ORFIIENQPQCECH-UHFFFAOYSA-N 458.543 4.114 50 10 JIGE Cc1cc(Br)c(NCC(=O)NN=Cc2ccc(N(C)C)cc2)c(Br)c1 254486613 CEJSFOWIYMJIGQ-UHFFFAOYSA-N 468.193 4.148 50 10 JIGE CCCCOc1ccc(-c2cc(C(=O)NN=Cc3cc(Br)ccc3O)[nH]n2)cc1 254854325 YQBIUIZAGWDJRW-UHFFFAOYSA-N 457.328 4.488 50 10 JIGE C[C@H](Br)c1cn(-c2ccc(I)c(Br)c2)nn1 300911994 RYQLIBRSPXSOQS-LURJTMIESA-N 456.907 4.090 50 10 JIGE CC[C@H](Br)c1cn(-c2ccc(I)cc2Br)nn1 304207332 QJHOZVXJZDETDT-QMMMGPOBSA-N 470.934 4.480 50 10 JIGE COc1cc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)ccc1O 382705494 FICZMRRFHIPFLZ-IRXDYDNUSA-N 467.303 4.188 50 10 JIGE C[C@H]1CN(Cc2ccccc2)C[C@H]1CCNS(=O)(=O)c1ccc(CBr)cc1 723743918 OLKHZCZJIHLVGW-FXAWDEMLSA-N 451.430 4.018 50 10 JIGE O=C(NN=Cc1cc(Cl)cc(Cl)c1O)C(=O)Nc1ccccc1OC(F)(F)C(F)F 1084320284 LFYDSMPRUZELCZ-UHFFFAOYSA-N 468.190 4.025 50 10 JIGE C=CCn1cc2ccc(NC(=O)NNC(=O)COc3ccccc3Cc3ccccc3)cc2n1 1675012875 JUVZGCXVDLKERS-UHFFFAOYSA-N 455.518 4.045 50 10 JIGE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@@H]2c1cc(Br)c(O)c(OC)c1 1865689405 RKNXZCPKROPINS-SFHVURJKSA-N 497.349 4.273 50 10 JIGE CCCn1nc(CC)c2c1OC(N)=C(C#N)[C@H]2c1cc(Br)cc(Br)c1O 1865701513 XFCLFCVAKXRFOA-CQSZACIVSA-N 482.176 4.304 50 10 JIGE Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)/C(C#N)=C/c3cccc(Cl)c3)cc2)n1 1866129886 QWKPHFDJCWYCJL-GZTJUZNOSA-N 467.938 4.093 50 10 JIGE N#CSc1ccc(NC(=O)[C@@H](CO)NC(=O)C[C@H](c2ccccc2)c2ccc(F)c(F)c2)cc1 1867122504 HWFWSGKKLVRIBF-NFBKMPQASA-N 481.524 4.176 50 10 JIGE CSCC[C@H](NC(=O)C[C@H]1CC(=O)c2ccccc21)C(=O)Nc1ccc(SC#N)cc1 1867242489 VRQFEFKFULLHLC-QRWLVFNGSA-N 453.589 4.196 50 10 JIGE O=C(NC[C@@H](Br)CBr)c1csc(Br)c1Br 1961813832 FAMUIKLTGAHRQF-BYPYZUCNSA-N 484.833 4.161 50 10 JIGE CCN(CC)CCCO[C@@](C)(CI)CN(CC)C(=O)OC(C)(C)C 2007038211 ZUDMWKKHHCFNHO-SFHVURJKSA-N 456.409 4.186 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CCC[C@@H]1CBr 2026221087 IWAQHJVYKFGBJS-SECBINFHSA-N 472.946 4.053 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1C[C@H]2[C@@H](Br)CC[C@H]2C1 2087938349 WSHVWXNSUHIWEK-AXTRIDKLSA-N 454.533 4.190 50 10 JIGE CC1(C)[C@H](CBr)OCCN1Cc1cc(Cl)ccc1I 2103389177 KGNKHZDBGZMQAM-ZDUSSCGKSA-N 458.565 4.319 50 10 JIGE CC(C)(C)OC(=O)NC[C@@H]1CN(C[C@H](Br)C(F)(F)F)CC[C@@H]1C(F)(F)F 2106785584 PPARPWSTCIINIZ-VWYCJHECSA-N 457.253 4.337 50 10 JIGE CCN(CC(C)(C)CNC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(CBr)cc1 2163051022 PELLMJMBEBQKRQ-UHFFFAOYSA-N 463.438 4.143 50 10 JIGE FC(F)(F)c1cnc(N2C[C@@H]3[C@@H](CBr)C[C@H]3C2)c(I)c1 2174306144 DCQHSRBXHJJGGI-KHQFGBGNSA-N 461.063 4.172 50 10 JIGE C[C@H]1CCN(Cc2ccccc2)CCN1S(=O)(=O)Cc1cccc(CBr)c1 2179776422 UGHWTVMAYXUZQI-SFHVURJKSA-N 451.430 4.008 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1CC(CCCBr)C1 2230677698 KOFAOAHYHYANLP-UHFFFAOYSA-N 476.028 4.007 50 10 JIGE Brc1cc(Br)cc(C[C@H](Br)[C@@H]2CCn3ncnc3C2)c1 2295345865 RQIKIADCRMQGFA-MFKMUULPSA-N 463.999 4.372 50 10 JIGE Cc1ccccc1Oc1nc2c(C)cccn2c(=O)c1C=C(C#N)C(=O)NCc1ccccc1 2296542799 SSDCJVODIIVSOQ-UHFFFAOYSA-N 450.498 4.327 50 10 JIGE COc1ccc(C=NNC(=O)C(=CC=Cc2ccccc2)NC(=O)c2ccccc2)cc1OC 2297322423 HLNSCSQMOJPMPW-UHFFFAOYSA-N 455.514 4.181 50 10 JIGE COc1ccc(C)cc1-c1csc(C(C#N)=C(O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)n1 2331324308 IBELLSPXKHMGJX-UHFFFAOYSA-N 476.470 4.124 50 10 JIGE C[C@](NC[C@H]1C[C@@H](Br)C1)(C(=O)O)c1cc(Br)c(Br)s1 2350950608 XNVGEHFTRILQAN-KEHGIVTQSA-N 476.028 4.336 50 10 JIGE CC(C)(C)OC(=O)NC[C@@H]1CN(C[C@@]2(CBr)CC2(F)F)CC[C@H]1C(F)(F)F 2379985507 IUUBRGMCVCDNBD-JMSVASOKSA-N 465.301 4.432 50 10 JIGE CC(C)c1ccc(OCC(=O)NNC(=O)CCc2ccccc2Cl)c(Br)c1 10458929 MNBXKCJIUQMDOJ-UHFFFAOYSA-N 453.764 4.385 50 10 JIGE CCCC(=O)Nc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)cc1 14644338 UKZZXTKBVMNKEM-GFCCVEGCSA-N 482.762 4.070 50 10 JIGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4OC)ccc32)cc1 38676933 FBOIXMGWJMTBGX-AREMUKBSSA-N 456.498 4.460 50 10 JIGE C/C(=N/NC(=O)CCCSc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc2c(c1)OCO2 58989949 VJCFJTYYPJXBJV-UUYOSTAYSA-N 458.521 4.346 50 10 JIGE CCOC(=O)c1cc(C(C)C)sc1NC(=O)/C(C#N)=C\c1cn(CC(N)=O)c2ccccc12 96504320 KVFLZHHUXYHOFV-DHDCSXOGSA-N 464.547 4.034 50 10 JIGE COCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccccc2)C1=O 101335537 UBKMFOSPCAXSOF-XQNSMLJCSA-N 452.514 4.168 50 10 JIGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1CCC[C@H]1CBr 124698510 QHTFJINGSAVCSK-QMMMGPOBSA-N 451.995 4.304 50 10 JIGE O=S(=O)(NC[C@H]1CCCC[C@H]1Br)c1cc(Br)ccc1Br 136978605 MVZQEHONVOGNGH-MWLCHTKSSA-N 490.055 4.444 50 10 JIGE CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(C=NNC(=O)c3ccc4ccccc4c3)cc2)cc1 252634865 WSGXENVZNRFDNV-UHFFFAOYSA-N 487.537 4.330 50 10 JIGE C[C@H]1C[C@H](CCl)CN(C(=O)c2cc(Br)ccc2I)C1 398614655 BQQZXPVZPLAETE-VHSXEESVSA-N 456.549 4.391 50 10 JIGE O=C(CBr)c1cc(I)cc(Br)c1OC(F)F 575681755 AROUXXNLCVATIW-UHFFFAOYSA-N 469.845 4.233 50 10 JIGE CCOc1cc(C=NNC(=O)c2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(OC)cc1 613823858 CKHPMFPGULDJHC-UHFFFAOYSA-N 461.518 4.184 50 10 JIGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)Nc2nc(-c3ccccc3)cs2)cc1 731183401 GJJIMESLKSJHFX-CPNJWEJPSA-N 498.568 4.103 50 10 JIGE COc1ccccc1C(C)(C)CNC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1 745154995 HHYSKOJRIYXROC-LTGZKZEYSA-N 453.546 4.473 50 10 JIGE COc1ccc([C@@H](Br)c2cn(C)c(Br)n2)c(OC)c1Br 829354805 SFLKJMYXDIEHGV-SNVBAGLBSA-N 468.971 4.447 50 10 JIGE Cc1cccc(C=NNC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)c1 1084534854 VHACWWXUMCPAHZ-UHFFFAOYSA-N 455.967 4.379 50 10 JIGE COc1ccc2c(c1)c(/C=N/NC(=O)Cn1cnc3sc(C)c(-c4ccccc4)c3c1=O)cn2C 1860773013 MZWKYWURHWGLRV-KVSWJAHQSA-N 485.569 4.084 50 10 JIGE CCc1nn(-c2ccccc2Cl)c2c1[C@H](c1cc(OC)c(OC)c(OC)c1)C(C#N)=C(N)O2 1865692197 KKENKSVIJJMTRA-HXUWFJFHSA-N 466.925 4.332 50 10 JIGE CCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3CC)cc1OC 1865693613 XGOJJVJXVNMHFC-SFHVURJKSA-N 461.360 4.380 50 10 JIGE CCOC(=O)c1c(NC(=O)c2ccc(O[C@H](C)C(=O)N/N=C/c3ccc(C)[nH]3)cc2)sc(C)c1C 1873496410 QBPNRZQLZAFXHB-NLOAGFHQSA-N 496.589 4.348 50 10 JIGE C[C@@H]1CN(Cc2ccccc2)CCN1S(=O)(=O)c1cc(CBr)ccc1Cl 1885142300 NQMSCDAUJTYWLA-OAHLLOKOSA-N 457.821 4.130 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2CC[C@@H](Br)[C@@H]2C)cc1Br 1914423746 NVPQEEDIIKPMSO-DTWKUNHWSA-N 476.028 4.066 50 10 JIGE CC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H](CBr)C(C)C)cc1 1915302028 XATDLTCTQAQETG-HXUWFJFHSA-N 453.402 4.255 50 10 JIGE C[C@@H]1C[C@H](CBr)CN(c2ncc(I)cc2Br)C1 2015758404 HGYYCVUEMYAOMR-RKDXNWHRSA-N 473.978 4.306 50 10 JIGE CN1CCC[C@H]([C@@H](Br)c2scc(Br)c2Br)S1(=O)=O 2029049155 FTERQUJOIUZWDL-VXNVDRBHSA-N 482.057 4.133 50 10 JIGE O=C(COC(=O)C(=Cc1ccc(F)cc1)c1cccs1)NNC(=O)c1ccc(Cl)cc1 2042440102 ZYTQHNSRIGODNO-UHFFFAOYSA-N 458.898 4.086 50 10 JIGE FC1(F)CCN(c2ncc(I)cc2Br)CC[C@@H]1Cl 2069532723 WXOAVMSRKFJFGN-VIFPVBQESA-N 451.480 4.292 50 10 JIGE C[C@H]1CN(Cc2ccccc2)C[C@@H](C)CN1S(=O)(=O)c1cc(CBr)cs1 2123230664 ULYRUHZMESRJHC-CVEARBPZSA-N 457.459 4.174 50 10 JIGE O=C(Cc1ccccc1I)N[C@H](CBr)C1CCCCC1 2143872309 DZAVQUZNGDQQLO-OAHLLOKOSA-N 450.158 4.294 50 10 JIGE CC[C@H]1CN(S(=O)(=O)c2ccc(CCl)cc2Br)CCN1Cc1ccccc1 2152172276 FDXQGRNRNXWNAZ-SFHVURJKSA-N 471.848 4.473 50 10 JIGE CC(C)(C)OC(=O)NCC(F)(F)[C@H]1CCCCN1CC1(CBr)CCOCC1 2185163871 NVUQRJBRSODESL-OAHLLOKOSA-N 455.384 4.193 50 10 JIGE Cc1cc(C(=O)N2CC[C@H](CBr)C(F)(F)C2)ccc1I 2207098392 VYVXGQKSCKIKKB-LLVKDONJSA-N 458.084 4.092 50 10 JIGE Cc1cccc(C[C@@H]2SC(=C(C#N)C(=O)NCc3ccco3)N(c3ccc(F)cc3)C2=O)c1 2293039294 YUTDUNGJDPVDJC-QFIPXVFZSA-N 461.518 4.470 50 10 JIGE COc1cc(OC)c([C@@H](Br)c2cn(C)c(Br)n2)cc1Br 2295416565 KOJXGJRIQGJPNV-GFCCVEGCSA-N 468.971 4.447 50 10 JIGE Cc1c(Cl)cccc1NC(=O)C(C#N)=Cc1cc(Br)c(N2CCOCC2)o1 2313543545 KIRWHNBETHQBHB-UHFFFAOYSA-N 450.720 4.386 50 10 JIGE C=CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)C(C)=C(C#N)C1=O 2314616729 ILECMLNIUMTXSF-UHFFFAOYSA-N 465.469 4.226 50 10 JIGE O=C(N[C@H]1C[C@@H](CCl)[C@H]2C[C@H]12)c1cc(I)ccc1Br 2329874832 GAHBHSRKYLPKFS-DTITTZBUSA-N 454.533 4.047 50 10 JIGE Clc1ccc(CN2C[C@@H](Br)C3(CCOCC3)C2)cc1I 2362384204 XRMDLLXWBXHCGC-CQSZACIVSA-N 470.576 4.321 50 10 JIGE O=C(c1scc(Br)c1Br)N1CCCN(CCCBr)CC1 2366457404 DVUNCMNZXLBGNG-UHFFFAOYSA-N 489.071 4.206 50 10 JIGE CC[C@@H](Nc1ccccc1)C(=O)N/N=C/c1cc(Br)c(O)c(Br)c1 1953096 GKDQDBLUSKVIKQ-IXJMWADBSA-N 455.150 4.258 50 10 JIGE Cc1cc(NC(=O)CCCBr)n(-c2ncnc3c2cnn3-c2ccc(Cl)cc2)n1 9845386 XTUCTZPYAJSKTI-UHFFFAOYSA-N 474.750 4.077 50 10 JIGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(OCc3ccccc3)cc2)cc1 14031338 XDDNUWHEAICNRK-UHFFFAOYSA-N 463.559 4.004 50 10 JIGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)N/N=C/c1cnn(C(C)C)c1 20827463 YWFMTODENPEVLD-UVHMKAGCSA-N 488.621 4.249 50 10 JIGE Nc1c(NNC(=O)c2ccc(Cl)cc2Cl)ncnc1Nc1ccc(Br)cn1 40779831 LOGJHNUMAKHAFG-UHFFFAOYSA-N 469.130 4.024 50 10 JIGE Nc1c(NNC(=O)c2ccc(Br)cc2)ncnc1N(Cc1ccccc1)c1ccccn1 40784540 WZCZNBFHBPHABE-UHFFFAOYSA-N 490.365 4.312 50 10 JIGE O=C(N/N=C1\C(=O)N(Cc2cccc([N+](=O)[O-])c2)c2ccccc21)c1ccc(Br)cc1 59148417 LEFKJWJNECSNFG-GFMRDNFCSA-N 479.290 4.038 50 10 JIGE CCOc1ccc(/C=N/NC(=O)C2=C(C)NC(=S)N[C@H]2c2ccc(Cl)cc2Cl)cc1 59384936 SMGXWAGICYAXEK-AZCDICLMSA-N 463.390 4.335 50 10 JIGE O=P(OCCCl)(OCCCl)OCCOP(=O)(OCCCl)OCCCl 95704272 CJWBPEYRTPGWPF-UHFFFAOYSA-N 472.022 4.257 50 10 JIGE COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])c(C)c1 206394888 QTWLPBLCSGRPKB-BKUYFWCQSA-N 471.469 4.354 50 10 JIGE COCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)COc2ccc(-c3ccccc3)cc2)cc1 207140068 XWIIHUDRRXCTAQ-QJOMJCCJSA-N 456.498 4.008 50 10 JIGE COc1ccc(C=NNC(=O)COc2ccc(C)cc2[N+](=O)[O-])cc1CN1CCCc2ccccc21 254349729 GVVHOPFVVKFVCK-UHFFFAOYSA-N 488.544 4.394 50 10 JIGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=C(C)/C=C\c2ccco2)cc1OC 254400543 JSXJJVAWIPWUHM-YRDFQDCUSA-N 459.502 4.273 50 10 JIGE CCOc1ccc(NC(=O)C(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)cc1 254419265 FVTZKGHJIACMRV-UHFFFAOYSA-N 483.528 4.035 50 10 JIGE CN([C@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(CCl)ccc1Br 388337274 LWEKWGXRVJPTTK-SFHVURJKSA-N 471.848 4.473 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@H]2C[C@@H](Cl)C[C@H]1C2 709817571 OCELCRNOYBWZQW-JMJZKYOTSA-N 454.533 4.286 50 10 JIGE CCOc1ccccc1OS(=O)(=O)c1cccc(C(=O)NNc2ccc(F)c(F)c2F)c1 728716736 CKVWPAKFSLOPIX-UHFFFAOYSA-N 466.437 4.027 50 10 JIGE CC(=NNC(=O)[C@@H](C)Nc1nc2ccccc2s1)c1ccc(OCC(=O)N2CCCCC2)cc1 730582387 DMJSCIKJBVFTNC-GOSISDBHSA-N 479.606 4.028 50 10 JIGE CCOc1cc(C=NNC(=O)CC#N)c(Br)cc1OCc1ccc(Cl)cc1 1084473745 NQZKXFGOPYNVPF-UHFFFAOYSA-N 450.720 4.444 50 10 JIGE C#CC[C@@]1(C(=O)NNc2ccc(Cl)cc2Br)CCCN1C(=O)OC(C)(C)C 1633950120 GJMPUEDOGOQWOR-IBGZPJMESA-N 456.768 4.339 50 10 JIGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)cc1OC 1865706935 JEZSWBYAVHUYRD-SFHVURJKSA-N 474.414 4.325 50 10 JIGE COC(=O)c1ccc2c(O)nc(/C(C#N)=C/c3ccc(OCC(=O)Nc4ccccc4)cc3)nc2c1 1872727698 UKVVNILJVVWLJG-CPNJWEJPSA-N 480.480 4.204 50 10 JIGE O=C(Cl)c1ccc(Br)c(I)c1I 2059979604 NNIOXVRKPXPARM-UHFFFAOYSA-N 471.257 4.037 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@H]2C[C@H]1CC[C@@H]2Cl 2088642869 BFFYGNKTVJJDNM-JQEORGNBSA-N 454.533 4.286 50 10 JIGE COCCN(C)C[C@@H](Br)CCc1ccc(Br)cc1Br 2099442166 LIKQYUFIOXRRKR-ZDUSSCGKSA-N 458.032 4.486 50 10 JIGE O=C(N[C@@H]1C[C@H]2C[C@H]1C[C@H]2Br)c1cc(I)ccc1Br 2104410937 JJBDZZRJQDLXJY-PTYMLPSESA-N 498.984 4.346 50 10 JIGE C[C@@H]1CN(C(=O)c2cc(Br)c(Br)s2)C[C@@H](CCBr)O1 2122789625 LOOOXLWRDVSJNP-HTQZYQBOSA-N 476.028 4.288 50 10 JIGE COc1ccc(C(=O)NCCSSCCNC(=O)OC(C)(C)C)cc1Br 2125299789 KUHLJZFPEBKOSF-UHFFFAOYSA-N 465.435 4.094 50 10 JIGE C[C@H]1CCN(Cc2ccccc2)CCN1S(=O)(=O)c1cc(F)ccc1CBr 2179788314 ARGIQPSIJOUWFC-INIZCTEOSA-N 455.393 4.006 50 10 JIGE CN(C[C@@H](Br)COCc1ccccc1)S(=O)(=O)Cc1ccsc1Br 2213760849 MECFJEZRLZHIFT-OAHLLOKOSA-N 497.274 4.253 50 10 JIGE O=C(NC[C@@H]1CC[C@@H](CBr)CO1)c1scc(Br)c1Br 2264721933 SJZORFJOIWPCKI-YUMQZZPRSA-N 476.028 4.193 50 10 JIGE O=C(c1c(F)cccc1I)N1CC[C@H](Br)CC12CCC2 2282793724 CSRBWXOWZGWCBI-JTQLQIEISA-N 452.105 4.353 50 10 JIGE O=C(C=Cc1ccccc1Cl)NC(=S)NNC(=O)COc1ccc(-c2ccccc2)cc1 2313624762 CEQXODVQSWKSMN-UHFFFAOYSA-N 465.962 4.121 50 10 JIGE COc1cc(C=C(C#N)C(=O)NC(C)C)ccc1OC(=O)COc1ccc(Cl)cc1Cl 2314737364 BSVAGDLNUYBTND-UHFFFAOYSA-N 463.317 4.418 50 10 JIGE COc1cc(F)c(CO[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2I)c(Cl)c1 2317107638 PXCOBKDBCHTJRZ-GJZGRUSLSA-N 485.721 4.427 50 10 JIGE CCOc1c(OC)cc(C=NNC(=O)c2ccc3nc(-c4ccccc4)[nH]c3c2)cc1[N+](=O)[O-] 2318418352 YAIMWNKACDCHDH-UHFFFAOYSA-N 459.462 4.309 50 10 JIGE CCOc1cc(C=NNC(=O)c2cccn(Cc3ccc(C)cc3)c2=O)cc(Cl)c1OC 2323648133 BKLIQKJTGLVSHJ-UHFFFAOYSA-N 453.926 4.030 50 10 JIGE O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)NN=Cc1ccccc1C(F)(F)F 2325903806 OJIGDSLPDHYUMX-UHFFFAOYSA-N 456.449 4.294 50 10 JIGE O=C(c1cc(Br)c(Br)s1)N1CC2(CC[C@H](CBr)O2)C1 2336887644 YDQHBEJWDDEYOA-SSDOTTSWSA-N 474.012 4.042 50 10 JIGE CC1CCC([C@H](CBr)NC(=O)c2cc(I)sn2)CC1 2351625094 YZANLYFYVVSPKX-AMUVOQDHSA-N 457.175 4.067 50 10 JIGE CC1(C)C[C@H](NS(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C[C@H](Br)C1 2364209023 ODAJGSGCELDLBK-DLBZAZTESA-N 499.471 4.105 50 10 JIGE C[C@H](Cl)c1nc2cccc(Br)c2n1-c1c(I)cnn1C 2381857179 MKEFYXQCDGAEDN-ZETCQYMHSA-N 465.520 4.426 50 10 JIGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2OCCOCC)cc1 9826319 GWTNWBARPWUWHH-UHFFFAOYSA-N 487.622 4.010 50 10 JIGE Cc1cc(Br)ccc1OCC(=O)NNC(=O)c1ccccc1OCCc1ccccc1 10509250 LQTVZXUNSIATKI-UHFFFAOYSA-N 483.362 4.219 50 10 JIGE CC(C)CCOc1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2)cc1Br 14645618 ADJABUVYDGOZKK-UHFFFAOYSA-N 469.763 4.367 50 10 JIGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc([N+](=O)[O-])cc3)ccc2[C@H]1c1ccccc1Cl 38651025 QVGWNWHNHISQQP-HSZRJFAPSA-N 477.860 4.451 50 10 JIGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)c(OC)c1 38657008 RAGONNVZCKKSEN-ODCWNRFASA-N 490.487 4.434 50 10 JIGE N#CC1=C(N)Oc2cc(OC(=O)c3cc4ccccc4oc3=O)ccc2[C@H]1c1ccc(F)cc1 38688032 ZSHBRNQBWJHVKP-HSZRJFAPSA-N 454.413 4.369 50 10 JIGE C/C(=N\NC(=O)CSc1nnc(CCc2ccccc2)n1-c1ccccc1)c1ccccn1 58991616 BNORRTSVLHMBPF-ZXVVBBHZSA-N 456.575 4.080 50 10 JIGE Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1 59147873 LRSZOSMOYFZYGI-NSKAYECMSA-N 486.365 4.046 50 10 JIGE COc1cccc(N/C=C(/C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 216495442 GHMRLBNTFJOUMG-FLFQWRMESA-N 452.558 4.448 50 10 JIGE COc1ccc(Cl)cc1NC(=O)/C(C#N)=C\Nc1ccc(I)cc1 217166367 CIWYXTBMBQTMIG-KHPPLWFESA-N 453.667 4.411 50 10 JIGE CC[C@@H](Br)C(=O)Nc1cc(I)cc(I)c1 690346201 MZLXTXGKEKOIKY-SECBINFHSA-N 493.908 4.008 50 10 JIGE C[C@@H](Br)C[C@H]1CCCCCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703967439 AAQHIUWEUSOZGY-IAGOWNOFSA-N 499.471 4.057 50 10 JIGE BrCC(CBr)(C[C@H]1COCCO1)c1ccccc1Br 708576557 CTADCXGGTVCVAH-NSHDSACASA-N 457.000 4.282 50 10 JIGE O=C(NNC(=O)[C@@H]1C[C@H]1c1cccc2ccccc12)c1ccccc1NS(=O)(=O)c1cccs1 730769019 CUUNWJWOYJPBML-LEWJYISDSA-N 491.594 4.267 50 10 JIGE COc1cc(C=NNC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)ccc1OCC(=O)O 1084028628 MFEMJRYGZHIBHD-UHFFFAOYSA-N 476.529 4.014 50 10 JIGE Cc1oc(C=NNC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)cc1Br 1084078593 WEMFGFBJTUOKPN-UHFFFAOYSA-N 490.379 4.081 50 10 JIGE Cc1ccc(NC(=O)CN2C(=O)C(=NNC(=O)[C@H](C)SCc3ccccc3)c3ccccc32)cc1 1084266734 NNUUOKRFOFEHJR-IBGZPJMESA-N 486.597 4.123 50 10 JIGE CC(=O)N(CCC(=O)NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)Cc1ccccc1 1449276561 DVIWTEMJYXYUPH-UHFFFAOYSA-N 457.456 4.044 50 10 JIGE C=CCC[C@@H](NC(=O)NNC(=O)c1cc(Br)c[nH]1)c1ccc(C(F)(F)F)cc1 1564406805 OTMUVJBTUYAAJS-CQSZACIVSA-N 459.266 4.448 50 10 JIGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@H](c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 1614700668 BOQJJVHMCRAGHQ-RHSMWYFYSA-N 464.272 4.250 50 10 JIGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@H](c2ccccc2O)C(C#N)=C(N)O3)cc1 1865708366 VILFKMLQKXILPQ-HSZRJFAPSA-N 466.497 4.480 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@H]2CC[C@]2(CBr)C1 1903984866 TZBWKMVCHPGWKY-OTYXRUKQSA-N 498.984 4.301 50 10 JIGE O=C(N[C@@H](CBr)C[C@H]1CCCO1)c1cc(Br)cc(Br)c1 1926739642 DOWSQVVXMCFEQT-CHWSQXEVSA-N 469.999 4.274 50 10 JIGE CC(C)(C)OC(=O)NCCCN(C(=O)CBr)c1cccc(Br)c1 1977936690 KPVJPANKINJUPO-UHFFFAOYSA-N 450.171 4.092 50 10 JIGE O=C(NC1(CCBr)CC1)c1cc(I)ccc1Br 2017557699 UDIIEWMNNHGOIP-UHFFFAOYSA-N 472.946 4.101 50 10 JIGE O=C(NC1CC(CCBr)C1)c1cc(Br)ccc1I 2030032344 FDMWQFVBBUTKII-UHFFFAOYSA-N 486.973 4.347 50 10 JIGE CCOc1cc(C(=O)CBr)c(OC(F)(F)F)cc1I 2055080702 ARAWXNMEKRURRO-UHFFFAOYSA-N 452.992 4.166 50 10 JIGE BrCCOCC1CCN(c2ncc(Br)cc2Br)CC1 2111100535 LJKBWRSTRGZVSC-UHFFFAOYSA-N 457.004 4.235 50 10 JIGE C[C@@]1(CBr)COCCN(C(=O)c2scc(Br)c2Br)C1 2135077183 JWBUHIJHSGMQQF-LBPRGKRZSA-N 476.028 4.147 50 10 JIGE CCN1CCC[C@H]([C@H](Br)c2cc(Br)cc(Br)c2)S1(=O)=O 2145759430 LTLYLSUZAIDKGX-CHWSQXEVSA-N 490.055 4.462 50 10 JIGE CN([C@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)S(=O)(=O)c1csc(CBr)c1 2179810843 HMFBEMFSKAZLLT-BCDXTJNWSA-N 469.470 4.459 50 10 JIGE C=CC[C@@](C)(CBr)CNS(=O)(=O)c1cc(Br)ccc1Br 2202046745 FWNFFHSJTBONKU-ZDUSSCGKSA-N 490.055 4.467 50 10 JIGE O=S1(=O)CCC[C@@H]1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2263519496 SHBGYYGUWQNBOW-NWDGAFQWSA-N 461.013 4.095 50 10 JIGE N#CC(=Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1)c1nn(CCO)c(N)c1C#N 2297306727 FRCSKCYVUNOGQS-UHFFFAOYSA-N 454.317 4.279 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCNC1CC(NC(=O)OC(C)(C)C)(C(F)(F)F)C1 2302000108 CEGWYOGECFQAMB-UHFFFAOYSA-N 489.626 4.470 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1CC[C@H](Br)[C@@H]1C1CC1 2340055966 BUZHOLZRTKLILT-AAEUAGOBSA-N 454.533 4.333 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1CC[C@@H]2[C@@H](CBr)[C@@H]2C1 2340060610 DZQRDRITVZCADN-YUSALJHKSA-N 454.533 4.048 50 10 JIGE CC[C@@H](C)c1ccccc1O[C@H](C)C(=O)NNC(=O)c1ccccc1I 9871083 YLMBSPPROKSLBM-ZIAGYGMSSA-N 466.319 4.033 50 10 JIGE O=C(NNC(=O)c1ccccc1F)c1ccc(-n2nc(C(F)(F)F)c3c2-c2ccoc2CC3)cc1 39852179 LSXYOZZGVQYQCZ-UHFFFAOYSA-N 484.409 4.464 50 10 JIGE Nc1c(NNC(=O)COc2ccc(Cl)cc2Cl)ncnc1Nc1ccc(F)c(Cl)c1 40795501 WTVVQQNILLNDKO-UHFFFAOYSA-N 471.707 4.424 50 10 JIGE COc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)C(=O)Nc3cccc4ccccc34)c2)cc1 48572861 JRAAWUYVRIWLGP-OGLMXYFKSA-N 467.481 4.156 50 10 JIGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C/Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 101234662 FGBDAWPXJLBMBS-QGOAFFKASA-N 470.407 4.361 50 10 JIGE CC[C@H](Br)CCNS(=O)(=O)c1cc(Br)ccc1Br 135168503 TYGVTMCUHKPJGT-QMMMGPOBSA-N 464.017 4.054 50 10 JIGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\NCCc1c[nH]c2ccccc12 217254257 CITFPMDWARLYEK-VBKFSLOCSA-N 470.314 4.259 50 10 JIGE COc1ccc(C=NNC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)n2-c2ccccc2)cc1 254628798 JBBCDQDBAXVMPF-UHFFFAOYSA-N 488.529 4.094 50 10 JIGE O=C(CNc1cccc(C(F)(F)F)c1)NN=Cc1ccc(Sc2ncccn2)c([N+](=O)[O-])c1 254763773 GJMWRDLDNWXQBG-UHFFFAOYSA-N 476.440 4.117 50 10 JIGE Cn1ncc([C@@H](Br)c2cc3c(cc2Br)OCC3)c1I 308415793 MYVRZXHBFSFGAN-LBPRGKRZSA-N 497.956 4.206 50 10 JIGE CC1(C)CN(Cc2cc(Cl)ccc2I)C[C@H](CBr)O1 405198744 DMIVCAGUVABPHB-LBPRGKRZSA-N 458.565 4.319 50 10 JIGE O=C(CBr)c1cc(Br)c(OC(F)F)cc1I 575681751 AKFWJPHUBPIHRZ-UHFFFAOYSA-N 469.845 4.233 50 10 JIGE O=C(N[C@H](CBr)C1CCC1)c1cc(I)ccc1Br 717612673 ITOVMBLSLBULQD-GFCCVEGCSA-N 486.973 4.347 50 10 JIGE O=C(c1cc(Br)c(Br)s1)N1CCS[C@@H](CBr)C1 720016227 PSZNRQXLSBDRKS-LURJTMIESA-N 464.042 4.226 50 10 JIGE CCOC(=O)O[C@]1(C(=O)CCl)CC[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@@]21C 725239782 AXXPSUGJNHPWJA-AFJUYQOFSA-N 485.404 4.346 50 10 JIGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1 1084350265 FJQJQTTYZNJXRR-QFIPXVFZSA-N 463.490 4.146 50 10 JIGE Cc1cc(C=NNC(=O)c2cccc(Br)c2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 1084597785 ILRFSEHEXOPKFF-UHFFFAOYSA-N 484.306 4.017 50 10 JIGE Cc1cc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)nn1-c1ccccc1 1866841403 YQHGVBOQQJHNQR-DEOSSOPVSA-N 497.580 4.439 50 10 JIGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC1CC(Br)C1 1888845717 NBNAIKSDGMOFHG-XFMWISLNSA-N 457.368 4.346 50 10 JIGE CCS(=O)(=O)C[C@@H](Br)c1sc(Br)c(C)c1Br 1988337165 DKWVLGYAQOVDRV-ZCFIWIBFSA-N 455.031 4.452 50 10 JIGE Cc1c(Br)cc(CBr)cc1S(=O)(=O)N(Cc1ccccc1)C1COC1 2059289299 PLGILWUFRMNMRH-UHFFFAOYSA-N 489.229 4.242 50 10 JIGE CCN(C[C@](C)(CI)OC1CC(n2cccn2)C1)C(=O)OC(C)(C)C 2063773912 MSFHZQOWLWXDOH-JMLCCBQJSA-N 463.360 4.054 50 10 JIGE C[C@@]1(CBr)CC(F)(F)CN1c1ncc(I)cc1Br 2069535992 OKASCDFKWBINCH-JTQLQIEISA-N 495.931 4.448 50 10 JIGE C[C@H]1CN(Cc2ccccc2)C[C@@H](C)N(S(=O)(=O)c2cc(CBr)cs2)C1 2123230667 ULYRUHZMESRJHC-JKSUJKDBSA-N 457.459 4.174 50 10 JIGE Brc1cccc(Br)c1CN1CCO[C@@H]2C[C@H](Br)C[C@H]21 2128883637 KBUSERHFYLMJAH-OWYVNGRQSA-N 454.000 4.338 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@H]2CC[C@@]2(CBr)C1 2142283479 QJTQPTQVKWEDNR-YMTOWFKASA-N 498.984 4.301 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CCC[C@](F)(CCl)C1 2142284576 DYKOTEUYUFTJAT-ZDUSSCGKSA-N 460.512 4.237 50 10 JIGE C=C[C@@]1(CBr)COCCN1Cc1ccc(I)c(Cl)c1 2142942220 BJPOINRNIBACBX-CQSZACIVSA-N 456.549 4.097 50 10 JIGE Clc1cc(CN2CC[C@@H](OCCCBr)C2)ccc1I 2142942226 BKEOWKBIOVHTSP-GFCCVEGCSA-N 458.565 4.321 50 10 JIGE O=S(=O)(c1cc(Cl)c(Br)s1)N1C[C@@H]2CCC[C@@]2(CBr)C1 2159404884 MAUYLMZCGMVLQH-QPUJVOFHSA-N 463.644 4.350 50 10 JIGE O=C(c1csc(I)c1)N1Cc2ccccc2[C@H](CBr)C1 2176252608 QONXZRDCNQOMHF-GFCCVEGCSA-N 462.150 4.487 50 10 JIGE CCC[C@H]1CN(C(=O)c2cccc(F)c2I)C[C@H]1CBr 2205684024 PVUJQKRXMNZSQY-WDEREUQCSA-N 454.121 4.314 50 10 JIGE C[C@]1(CBr)C=CCN1C(=O)c1ccc(I)c(Br)c1 2221472877 INTBYPDDHSWGOP-CYBMUJFWSA-N 484.957 4.219 50 10 JIGE CC[C@@H]1CN(C(=O)c2ccc(Cl)c(I)c2)C[C@@H]1CBr 2268344822 MAXQBYASJVVHSL-KOLCDFICSA-N 456.549 4.438 50 10 JIGE CCN(CC)C(=O)COc1ccc(C=NNC(=O)c2ccc(-c3ccc(F)cc3)nc2C)cc1 2321244568 ACZJKPONNWHVOK-UHFFFAOYSA-N 462.525 4.207 50 10 JIGE CC1(C)CC(CBr)(CN=[S@@](C)(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)C1 2371133560 OQNUTBDWEHPXPG-HHHXNRCGSA-N 466.486 4.143 50 10 JIGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccccc2OCCC(C)C)cc1 14034484 OGOQLJGBJOWODZ-GOSISDBHSA-N 471.623 4.340 50 10 JIGE Cc1ccc(-c2cc(C(=O)N/N=C/c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3O)c3ccccc3n2)cc1 20368482 FIHBZGRGNPKLIE-DHRITJCHSA-N 471.429 4.496 50 10 JIGE O=C(NNc1ncnc(Nc2nc3ccccc3s2)c1[N+](=O)[O-])c1ccc(Cl)c([N+](=O)[O-])c1 40645367 KFEVUXIZZJPNSM-UHFFFAOYSA-N 486.857 4.057 50 10 JIGE O=S1(=O)CC[C@H](C(CBr)(CBr)Cc2ccccc2Br)C1 118875566 AGKZHTDPNSPZSN-LBPRGKRZSA-N 489.067 4.203 50 10 JIGE CC(C)(C)OC(=O)N1C[C@H](OCc2cccc(Br)c2)[C@H](I)C1 231319507 WVGYUCQLTOVTRD-KGLIPLIRSA-N 482.156 4.389 50 10 JIGE Cc1cc(Cl)ccc1N(CC(=O)NN=Cc1sccc1C)S(=O)(=O)c1ccccc1 252642538 ZNEYHFQDIZNQFI-UHFFFAOYSA-N 461.996 4.364 50 10 JIGE CC(/C=C(\NC(=O)c1ccccc1)C(=O)NN=Cc1cc2c(cc1[N+](=O)[O-])OCO2)=C\c1ccccc1 254794730 JWPSLLUUDCBWNN-QAUBVZSFSA-N 498.495 4.191 50 10 JIGE O=C(NN=Cc1ccc(OC[C@@H](O)Cn2c3ccccc3c3ccccc32)cc1)c1ccncc1 254877638 YPRYVYFOPSNVOI-QFIPXVFZSA-N 464.525 4.393 50 10 JIGE C[C@](CBr)(NC(=O)c1sccc1I)c1ccccc1 311454908 UCOGNUQSPFGVIG-CQSZACIVSA-N 450.139 4.393 50 10 JIGE C[C@@H](Br)C1CN(S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)C1 719758253 OQFBZWYTFYXEIW-ZCFIWIBFSA-N 451.995 4.160 50 10 JIGE CC[C@H](Br)[C@H](C)NC(=O)c1ccc(I)c(Br)c1 721595745 YBULTZKFXYPWNI-CBAPKCEASA-N 474.962 4.346 50 10 JIGE CC(C)(C)N1CCCN(C(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)CC1 746017955 AEIWFQVGDHPKKQ-CAPFRKAQSA-N 465.001 4.357 50 10 JIGE CC(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)cc1 761396161 DFAZOHZDWICXHS-LUJYGJGBSA-N 481.512 4.144 50 10 JIGE Cc1cc(C=NNC(=O)C(=O)N[C@H](C)c2ccccc2)c(C)n1-c1cccc(Br)c1 1084644958 FKJBYHMKMQYIAO-MRXNPFEDSA-N 467.367 4.184 50 10 JIGE C/C(=C/c1ccc(Br)o1)C(=O)NNC(=O)[C@H](C)Oc1c(C)cc(Cl)cc1C 1628196400 ICWXTCXAMDZTHR-SUIFULHWSA-N 455.736 4.331 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(F)cc2)[C@H]1c1ccc2c(c1)OCCO2 1865698359 QXEWLVVXTHYTEU-SFHVURJKSA-N 472.398 4.079 50 10 JIGE Cc1ccc(C(=O)CCC(=O)NNC(=O)c2ccc(-c3ccc(F)c(F)c3)nc2C)c(C)c1 1865757139 OTDOIWLDVYDPGX-UHFFFAOYSA-N 451.473 4.376 50 10 JIGE O=C(Cn1c(O)nc2ccccc2c1=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1 1873793383 AQKTVONKAMOAFF-KKMKTNMSSA-N 497.338 4.138 50 10 JIGE C[C@H]1CN(Cc2ccccc2)C[C@@H](C)N(S(=O)(=O)c2cc(CCl)oc2Br)C1 1921420282 UMCMSBKDIXJBNJ-LSDHHAIUSA-N 475.836 4.312 50 10 JIGE C[C@@H]1C[C@@H]1N(CCBr)c1ncc(I)cc1Br 1988531395 SBCXYMGCRXCOAG-XCBNKYQSSA-N 459.951 4.058 50 10 JIGE CS(=O)(=O)c1csc([C@H](Br)c2ccccc2I)c1 2032176661 CNFOVDIXQYTMDM-GFCCVEGCSA-N 457.152 4.241 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@H]2C[C@H]1CC[C@H]2Br 2088643477 HSYQXKZSJCFSAG-GMTAPVOTSA-N 498.984 4.442 50 10 JIGE Cn1ncc([C@H](Cl)c2cc(Br)c3c(c2)CCO3)c1I 2090466434 FKQUPXDVLSYDBS-LLVKDONJSA-N 453.505 4.050 50 10 JIGE C[C@]12CN(C(=O)c3c(Br)cccc3Br)C[C@@]1(CBr)C2 2109181492 GSFRCYGWURFNNW-KBPBESRZSA-N 451.984 4.459 50 10 JIGE Cc1sc(CBr)cc1S(=O)(=O)N(C)[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 2123243774 NZRVTGJLVGSMRJ-RHSMWYFYSA-N 457.459 4.235 50 10 JIGE Brc1cccc(Br)c1CN1C[C@H]2COC[C@@H](C1)[C@H]2Br 2132542810 JECGBVQMGFMTPA-WDAIWFPHSA-N 454.000 4.053 50 10 JIGE CN1CCN(Cc2ccc(Br)cc2Br)[C@H](CCBr)C1 2138085318 UTVOUXGOYFSUHQ-CYBMUJFWSA-N 455.032 4.113 50 10 JIGE C[C@@H]1C[C@H](N(C)S(=O)(=O)Cc2ccc(CBr)cc2)CN1Cc1ccccc1 2179792158 CAAJDBSLKTXKAM-UTKZUKDTSA-N 451.430 4.006 50 10 JIGE Cc1oc(CBr)cc1S(=O)(=O)N1C[C@H](C)CN(Cc2ccccc2)C[C@@H]1C 2179808082 DCULDXZODYQWGZ-CVEARBPZSA-N 455.418 4.014 50 10 JIGE O=S(=O)(c1ccsc1CBr)N1CC[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 2179869860 DEFKDKCFUAOLTN-ZWKOTPCHSA-N 469.470 4.176 50 10 JIGE CN([C@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)S(=O)(=O)c1ccsc1CBr 2179870056 GRBCNRUZBGJMCI-BCDXTJNWSA-N 469.470 4.459 50 10 JIGE C[C@H](Br)C[C@@H]1COCCN1C(=O)c1c(Br)cccc1Br 2185307164 AWSUXGNGABOKMG-VHSXEESVSA-N 469.999 4.226 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H](Br)C[C@@H](F)C1 2219186361 PGEITGKDHBWRPT-DTWKUNHWSA-N 490.936 4.001 50 10 JIGE O=C(Cc1nc(CCl)cs1)Nc1ccc(Br)cc1I 2231621768 PWVCHFTXSQTWIE-UHFFFAOYSA-N 471.545 4.430 50 10 JIGE CCC(CBr)(CBr)NC(=O)c1ccc(OC)cc1Br 2232128265 KNJMYVAYWLFTTI-UHFFFAOYSA-N 457.988 4.126 50 10 JIGE CCCN1CC[C@@H]([C@@H](Br)c2scc(Br)c2Cl)S1(=O)=O 2264610161 SBXRFBZPQMUWFG-DTWKUNHWSA-N 451.633 4.414 50 10 JIGE COc1ccc(-c2n[nH]cc2C=C(C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1OC 2295669869 CRXZBCNWNSAIAB-UHFFFAOYSA-N 453.842 4.201 50 10 JIGE CCOc1cc(C=C2C(=O)N(CCOC)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 2314618325 LJOFYTBLDUCDDV-UHFFFAOYSA-N 464.493 4.042 50 10 JIGE CCN(C[C@](C)(CI)OCC12CC(C[C@@H](C)O1)C2)C(=O)OC(C)(C)C 2319566316 ZVASSIMDJOMIQX-IWXNBZKKSA-N 467.388 4.411 50 10 JIGE CCOc1ccc2ccccc2c1C=NNC(=O)c1cccn(Cc2ccc(OC)cc2)c1=O 2323656141 GEGMKRQALNMMJP-UHFFFAOYSA-N 455.514 4.221 50 10 JIGE COc1cc(C=NNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc(OC)c1OCc1ccccc1 2328829474 LSPVGVLBQKQBKT-FQEVSTJZSA-N 483.565 4.132 50 10 JIGE O=C(COc1ccc(Cl)cc1Cl)NNC(=O)c1ccc(OCCOc2ccccc2)cc1 14039472 YUFVEIOXLULLKO-UHFFFAOYSA-N 475.328 4.291 50 10 JIGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNC(=O)c1ccc(Br)cc1)c1nc3ccccc3nc12 35549112 VBAHZESJEVBEGB-RPWUZVMVSA-N 479.378 4.183 50 10 JIGE N#CC1=C(N)Oc2cc(OC(=O)COc3cccc(Cl)c3)ccc2[C@H]1c1cccc([N+](=O)[O-])c1 38654271 DPGAHYDJFWPIBV-HSZRJFAPSA-N 477.860 4.451 50 10 JIGE CC(C)CN(CC(C)C)c1ncnc(NNC(=O)COc2ccc(Cl)cc2Cl)c1N 40735799 JTIVMYGAJFLDLK-UHFFFAOYSA-N 455.390 4.006 50 10 JIGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(I)c1OCC 58891579 ACSCHYSTAHHAKJ-NLKUQUHMSA-N 496.345 4.053 50 10 JIGE CCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2)cc1OC 206699643 OTDFHZHPGCSANL-JZTLMNBPSA-N 497.507 4.423 50 10 JIGE O=C(N[C@H]1CCCC[C@@H]1Br)c1cc(I)ccc1Br 232459346 MFXXESVBEJINOS-RYUDHWBXSA-N 486.973 4.490 50 10 JIGE CC(C)(C)C(=O)NNC(=O)CSc1nnc(C23CC4CC(CC(C4)C2)C3)n1-c1ccccc1 253563694 FSOUCXSODUEEGY-UHFFFAOYSA-N 467.639 4.021 50 10 JIGE CCN(CC)c1ccc(C=NNC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)cc1 254635031 WJCYAIZBSWBFGY-UHFFFAOYSA-N 485.613 4.474 50 10 JIGE O=C(NN=Cc1cccc(OC(=O)c2ccco2)c1)/C(=C\c1cccs1)NC(=O)c1ccccc1 254868391 RNUPMPQAYXPRNL-OQMVFWCBSA-N 485.521 4.482 50 10 JIGE COc1ncnc2c1nc(CCCl)n2CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705604817 MOWYYILSHMYEIY-UHFFFAOYSA-N 477.996 4.088 50 10 JIGE C#CCCN1CCN(C(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)CC1 1544679673 AYGJQJRVZPJMGR-QNGOZBTKSA-N 454.496 4.187 50 10 JIGE CC(=O)c1cccc(O[C@H](C)C(=O)NNc2c(Br)cccc2Br)c1 1635100323 POWFWYPJBOLQOB-LLVKDONJSA-N 456.134 4.325 50 10 JIGE CCOC(=O)c1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2ccccc2)CCC3)cc1 1772749630 WRYIQDHXSKJYKG-UHFFFAOYSA-N 473.529 4.416 50 10 JIGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(C)cc2)c1O 1865684047 LSPLWPKJZPXDNR-QGZVFWFLSA-N 456.424 4.191 50 10 JIGE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OC(=O)c2ccccc2)cc1 1865704641 AQBIDMLPOLNEMC-QGZVFWFLSA-N 454.408 4.359 50 10 JIGE CCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1cc(OC)c(OC)cc1OC)C(C#N)=C(N)O2 1865711700 FYYDQDYICXVFKM-HSZRJFAPSA-N 460.534 4.046 50 10 JIGE N#CSc1ccc(NC(=O)[C@@H](CO)NC(=O)C[C@@H](c2ccc(F)cc2)c2cccc(F)c2)cc1 1866780946 JZOIGAQMKZSVPA-XZOQPEGZSA-N 481.524 4.176 50 10 JIGE Fc1cc2c(cc1I)nc(CCCl)n2C[C@H]1C[C@H]1Br 1887725175 PTGSNOSEYVAGCH-HTQZYQBOSA-N 457.512 4.345 50 10 JIGE O=C(c1cc(Br)c(Br)s1)N1C[C@@H](Br)C[C@]2(CCCO2)C1 1924250354 KSCOFZWNKBCXFX-ISVAXAHUSA-N 488.039 4.432 50 10 JIGE Cc1nc(I)c(I)n1-c1ccc(Cl)c(CCl)n1 1941543929 HNYYNHKJQLLBOR-UHFFFAOYSA-N 493.901 4.177 50 10 JIGE CC(C)(C)OC(=O)N[C@H](CBr)Cc1cc(Br)c2c(c1)OCCCO2 2008718347 ZLCLLITUVHUGHS-LBPRGKRZSA-N 465.182 4.441 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CCC2(CC(Br)C2)C1 2117409352 NJCBGQPYOJPKSX-UHFFFAOYSA-N 498.984 4.443 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1CCC[C@](F)(CBr)C1 2157514833 PUHWUDRDPXGCGC-LBPRGKRZSA-N 494.018 4.099 50 10 JIGE O=S(=O)(c1cc(Cl)c(Br)s1)N1[C@H](CBr)C[C@H]2CCC[C@H]21 2164660842 BYQUWCUXYHXSSY-KHQFGBGNSA-N 463.644 4.491 50 10 JIGE Cn1c(=O)n(C)c2cc([C@@H](Br)C3(Br)CCC3)c(Br)cc21 2168168319 HZOJVHRFTTYWON-GFCCVEGCSA-N 466.999 4.393 50 10 JIGE CN(Cc1ccccc1)[C@H]1CCCN(S(=O)(=O)c2ccc(CBr)cc2F)C1 2179786081 VHARPVGMOITUPX-SFHVURJKSA-N 455.393 4.006 50 10 JIGE Cc1cc(CBr)ccc1S(=O)(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1 2179786384 ZVBLOSPVYOKWRC-KRWDZBQOSA-N 451.430 4.033 50 10 JIGE C[C@H]1[C@H](C(F)(F)F)N(CCCCI)CCN1C(=O)OC(C)(C)C 2243586267 NORIIGQPMYBWCI-NWDGAFQWSA-N 450.283 4.074 50 10 JIGE C=CC[C@]1(CBr)CCN(C(=O)c2cc(I)ccc2F)C1 2287752818 PUEMTQSKCCQOFN-OAHLLOKOSA-N 452.105 4.234 50 10 JIGE COc1ccc(OCc2ccc(C=C(C#N)C(=O)NCCc3ccc(OC)c(OC)c3)o2)cc1 2295672213 BLVQHGMVWMAZCC-UHFFFAOYSA-N 462.502 4.150 50 10 JIGE COc1ccc(Br)cc1CNCC(F)(F)C(F)(F)CI 2361674260 JUVSUHQNDQELEA-UHFFFAOYSA-N 470.042 4.253 50 10 JIGE Cc1cc(Cl)ccc1OCC(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 12403505 ZJPJKHKFZILPKL-UHFFFAOYSA-N 483.790 4.314 50 10 JIGE COc1ccc(C)cc1Nc1ncnc(NNC(=O)C(c2ccccc2)c2ccccc2)c1N 40684425 OBJXYPWDFJQVDK-UHFFFAOYSA-N 454.534 4.395 50 10 JIGE COC(=O)c1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc([N+](=O)[O-])cc2)CCC3)cc1 40812241 GHKDKULYYSJKPM-ZXVVBBHZSA-N 490.472 4.006 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N[C@@H]2CCC[C@H]2Br)cc1Br 158614313 ITZUKAKCOGSRJM-LDYMZIIASA-N 476.028 4.114 50 10 JIGE COc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2OC)cc1OC 206500347 OUZUXIPDUMOCIX-OLKAJYLJSA-N 488.496 4.148 50 10 JIGE COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NCc3ccc(C(=O)NC4CC4)cc3)c2C)cc1 210691421 YZKYCUOIINUOFG-HZHRSRAPSA-N 468.557 4.218 50 10 JIGE COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2c(C)n(C)c3ccccc23)cc1OC 254493865 XPEKPBFSPMOGRD-IEOFJNCISA-N 496.567 4.425 50 10 JIGE O=C(CBr)c1c(I)cc(Br)cc1OC(F)F 575682459 RFVCTKNTDIRLKF-UHFFFAOYSA-N 469.845 4.233 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2CC[C@@H]([C@@H](C)Br)C2)cc1Br 719785653 GKQITJFRVRINPD-NXEZZACHSA-N 490.055 4.314 50 10 JIGE C[C@H](Cc1ccc(Br)cc1)NC(=O)NNC(=O)c1ccc(Br)cc1Cl 728948903 JTDXWYPNYNIWMW-SNVBAGLBSA-N 489.595 4.440 50 10 JIGE CC(C)OCCCn1c(NNC(=O)c2cc(Cl)sc2Cl)nc2ccccc2c1=O 751892192 WVPWFPOUYGPJCY-UHFFFAOYSA-N 455.367 4.337 50 10 JIGE COc1cc(C=NNC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc(Br)c1O 1084220071 MRQJOTXZHJGWPR-UHFFFAOYSA-N 494.389 4.486 50 10 JIGE CCOC(=O)c1ccccc1NC(=O)COc1cccnc1NC(=O)Nc1ccc(SC#N)cc1 1858835766 NTIRAILUBBFLMS-UHFFFAOYSA-N 491.529 4.493 50 10 JIGE COC(=O)c1c(NC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)sc(/C(C)=C/C#N)c1C 1873428493 PNAWSGWLSVWUBL-WEKMIXOTSA-N 487.965 4.424 50 10 JIGE O=C(c1ccc(F)cc1I)N1CC[C@@]2(CCC[C@@H]2Br)C1 1918942656 YEPDJZBGEOPTIO-ZFWWWQNUSA-N 452.105 4.210 50 10 JIGE C[C@H]1C[C@@H](Br)CCN1c1ncc(I)cc1Br 1988534096 FUKMPSJINFNTKE-YUMQZZPRSA-N 459.951 4.201 50 10 JIGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@@H](CNC(=O)[C@H](Br)C2CCCC2)C1 2025232638 XQPYXZGPZZTJML-LEWJYISDSA-N 494.474 4.178 50 10 JIGE O=C(c1cccc(Br)c1Br)N1C[C@H](Br)[C@H](C2CC2)C1 2092336534 YUVVYJTVQZUZMD-JQWIXIFHSA-N 451.984 4.457 50 10 JIGE O=C(N[C@@H]1C[C@H](CBr)[C@H]2C[C@@H]21)c1cc(Br)ccc1Br 2110549099 LOKCHAMTCPROQZ-SQFXPHBZSA-N 451.984 4.361 50 10 JIGE Cn1cc([C@H](Br)c2cc(I)cc3c2OCC3)c(Br)n1 2116553736 FHWLCSZIFYQZDS-LLVKDONJSA-N 497.956 4.206 50 10 JIGE CN(C(=O)c1cc(I)ccc1Br)[C@H](CCCl)C(F)F 2122008531 IZUAIMVOSBFTDA-SNVBAGLBSA-N 466.491 4.388 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1CC[C@@H](Br)[C@H]1C1CC1 2130612385 RFVFJGBAGATJIE-DGCLKSJQSA-N 454.533 4.333 50 10 JIGE Cc1cc(C(=O)N[C@@](C)(CBr)C(F)(F)F)ccc1I 2142105741 FTIGGSUSXVZPBY-NSHDSACASA-N 450.036 4.045 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@@H]2CC[C@@H](Br)[C@H]2C1 2142278676 GMGWESAYXAKMFO-KPXOXKRLSA-N 498.984 4.299 50 10 JIGE O=S(=O)(c1cc(F)c(Cl)c(CBr)c1)N1CCCN(Cc2ccccc2)CC1 2179862026 PQFOCVWZPVCEEV-UHFFFAOYSA-N 475.811 4.271 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@]12CC[S@](=O)(=NCC1(CBr)CC(F)C1)C2 2265632546 NRSIGIZRBWLJCP-QEJDKZFWSA-N 453.418 4.141 50 10 JIGE C[C@]12CN(C(=O)c3ccc(Cl)c(I)c3)C[C@]1(CBr)C2 2268355183 PVZMZTTWSHIFBX-UONOGXRCSA-N 454.533 4.192 50 10 JIGE CCN(CCOCCBr)C(=O)Cc1cc(Br)cc(Br)c1 2295315143 IDMVNLZWPBAYTO-UHFFFAOYSA-N 472.015 4.014 50 10 JIGE COc1cc(C=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc(I)c1OC 2297334516 SOFGLYYZQIVJPC-ZDUSSCGKSA-N 462.287 4.093 50 10 JIGE COc1ccc(C=C(C#N)C(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1 2297489613 BIKBIOGFSLQLOR-UHFFFAOYSA-N 458.470 4.165 50 10 JIGE COc1ccc(N2C(=O)[C@@H](Cc3cccc(C)c3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314593774 SLLJCKQSMDBKRV-HSZRJFAPSA-N 473.554 4.339 50 10 JIGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)Nc1cccc(CCBr)c1 2364216206 YVXCWDBIFXXWQF-UHFFFAOYSA-N 493.423 4.222 50 10 JIGE CC(C)c1cc(Br)ccc1OCC(=O)NNC(=O)c1ccccc1Br 9231641 HIGZLMHIGPXWMK-UHFFFAOYSA-N 470.161 4.175 50 10 JIGE CCOC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccccc2CC)=C(C#N)[C@H]1c1ccccc1Cl 9980861 NDZKQRONBNXMPU-YADHBBJMSA-N 498.004 4.402 50 10 JIGE Cc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(OCc3ccccc3)cc2)cc1Br 14028038 BEICQIKRRBIGNU-UHFFFAOYSA-N 498.402 4.286 50 10 JIGE CC(C)COc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)C(C)C)cc2)cc1Br 14653094 KEAHGGANDAIBRX-UHFFFAOYSA-N 476.371 4.153 50 10 JIGE COC(=O)c1ccc(S(=O)(=O)NNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1 15248484 VRQCELLNLZSEDH-UHFFFAOYSA-N 490.990 4.042 50 10 JIGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)cc4)ccc32)c1 38659741 FKFPCOJEMAJEMR-SANMLTNESA-N 472.497 4.215 50 10 JIGE COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccco3)ccc21 38660720 LDOANJBIQZYPSH-FQEVSTJZSA-N 467.275 4.488 50 10 JIGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)cc1 58894363 VFBAAEDIZPSCHM-GJVLPJBHSA-N 494.548 4.374 50 10 JIGE O=C(CSc1nnc(CCc2ccccc2)n1-c1ccccc1)N/N=C/c1ccccc1O 58988004 KKSIXRPDSVPIAU-YZSQISJMSA-N 457.559 4.001 50 10 JIGE O=C(COc1cccc(Br)c1)N/N=C/c1cc(Br)c(Br)o1 59104991 VYAXHPWLFXXXMY-UBKPWBPPSA-N 480.938 4.096 50 10 JIGE Cc1c(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)oc2c1/C(=N\Nc1ccccc1)CC(C)(C)C2 101109075 LKURCNNQEBSISI-DIBXZPPDSA-N 475.505 4.360 50 10 JIGE COC(=O)c1ccc(C(=O)OC)c(N/C=C(/C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)c1 102416584 OQWMFKILDMNGAC-GDNBJRDFSA-N 463.471 4.089 50 10 JIGE CC(=O)N1CCc2cc(Br)cc(NC(=O)N[C@@H]3CC(C)(C)C[C@@](C)(CN=C=O)C3)c21 170290023 LFSQCYKMKFSYPM-VGSWGCGISA-N 477.403 4.400 50 10 JIGE CCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C(C#N)=C\c2ccccc2OCCC)c(OC)c1 206990907 WBECAAXGSCLKHH-AOOUSOOLSA-N 473.529 4.430 50 10 JIGE CCOc1ccc(/C=C2\C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1OCC 214373879 NBBUKCRPZPNYSJ-STZFKDTASA-N 490.556 4.336 50 10 JIGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\Nc1ccc(N)c(Cl)c1 217253899 BPYVTSOVGKKPMP-LUAWRHEFSA-N 452.683 4.293 50 10 JIGE CC(C)S(=O)(=O)CCOc1c(Br)cc(CBr)cc1Br 232829386 SXLGXDGUQHZJAE-UHFFFAOYSA-N 479.028 4.309 50 10 JIGE CCNC(=O)c1ccc(C)c(NC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)c1 726935340 DPXNACMLOXUWPU-STZFKDTASA-N 452.518 4.068 50 10 JIGE C[C@H]1CCc2ccccc2N1C(=O)COC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1 800724047 IDTLHIVOGRPQRD-LORYXUCWSA-N 479.540 4.282 50 10 JIGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])o2)cc1 1084241841 IPYLHIRLVQIORQ-OAQYLSRUSA-N 482.449 4.126 50 10 JIGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(C)n(-c3ccc(OC(C)=O)cc3)c2C)cc1 1084458195 ZRNGEAIMXXIUOJ-SANMLTNESA-N 477.561 4.382 50 10 JIGE CCOc1cnc(C(=O)NN=Cc2cc(Br)ccc2OCc2ccc(F)cc2)o1 1084506415 VXYZEKZMEIEYNT-UHFFFAOYSA-N 462.275 4.318 50 10 JIGE Cc1ccc(N2C(=O)[C@H](/C=C(/C#N)C(=O)Nc3cccc(Cl)c3Cl)C(=O)NC2=S)cc1C 1084589255 RWOLVBXWADLKNU-UZGISAJGSA-N 487.368 4.063 50 10 JIGE CC(C)C[C@@H](C(=O)N[C@H](CO)C(=O)Nc1ccc(SC#N)cc1)c1cccc(Br)c1 1867201672 HKKNYQPPASWBEP-WOJBJXKFSA-N 490.423 4.268 50 10 JIGE Cc1nc(Nc2ccc(SC#N)cc2)cc(N2CC(=O)N3CCc4c(F)cccc4[C@@H]3C2)n1 1868479914 DEVLKLHSKSQFLX-NRFANRHFSA-N 460.538 4.187 50 10 JIGE O=S(=O)(c1cncc(Br)c1)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915169653 JOMIQKLXFMMOPO-QGZVFWFLSA-N 474.218 4.209 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CC[C@@H](Br)C2(CC2)C1 2142279344 OXBFRSMTWFSVGC-GFCCVEGCSA-N 498.984 4.443 50 10 JIGE CCCN1CC[C@H]([C@@H](Br)c2cc(Cl)ccc2I)S1(=O)=O 2145769412 PLTYEPYBUNVOHI-OLZOCXBDSA-N 492.604 4.195 50 10 JIGE CN(Cc1ccccc1)[C@H]1CCCN(S(=O)(=O)c2ccc(CCl)cc2Br)C1 2169152575 BFMNNKPVCWXLIO-SFHVURJKSA-N 471.848 4.473 50 10 JIGE O=C(c1cc(I)ccc1F)N1CC[C@@H]2C[C@H](Br)CC[C@@H]21 2169665312 XNUCIYBSWYZWMC-RULNRJAQSA-N 452.105 4.208 50 10 JIGE O=S(=O)(N[C@@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]21)c1ccc(CBr)cc1 2190549093 WVYIGFUSXDGBNJ-UYWIDEMCSA-N 450.398 4.244 50 10 JIGE CCC[C@@H]1CN(C(=O)c2ccc(F)cc2I)C[C@H]1CBr 2205703462 NEQZNHQMRHFMIH-GHMZBOCLSA-N 454.121 4.314 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC[C@]23C[C@](C(F)F)(CO2)C3)C1 2266287215 LVHTXTPAOFDYMT-KZNAEPCWSA-N 487.325 4.022 50 10 JIGE O=C1NC(=S)N(c2ccccc2Cl)C(=O)C1=Cc1ccc2c(c1)CCN2CCCCl 2296928170 WWTVSYNSVGINBR-UHFFFAOYSA-N 460.386 4.163 50 10 JIGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)CCCOc2ccc(C(C)C)cc2)c(OC)c1 2314773965 LPNJQRILHYXJQN-UHFFFAOYSA-N 480.561 4.253 50 10 JIGE CCOc1ccc(CCNC=C(C#N)C(=O)Nc2ccc(Br)cc2)cc1OCC 2324088268 BMFBUIDYQCMHMB-UHFFFAOYSA-N 458.356 4.425 50 10 JIGE C[C@@H](Br)[C@@H]1CN(Cc2ccc(I)c(Br)c2)CCO1 2325231660 WIBKSVLYUUKHGZ-RNCFNFMXSA-N 488.989 4.038 50 10 JIGE BrCc1cc(OCc2ncc(I)cn2)ccc1Br 2327891236 OTTGUVCYYQNCLJ-UHFFFAOYSA-N 483.929 4.318 50 10 JIGE N#CC(=C(O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2331281334 KBFPXAFYKZNDGH-UHFFFAOYSA-N 479.474 4.413 50 10 JIGE O=S(=O)(NCCSCCCBr)c1cc(Br)ccc1Br 2335636562 DCSROEHMEJVRNY-UHFFFAOYSA-N 496.084 4.008 50 10 JIGE Cc1cc(CNCCSSCCNC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2343657751 NIKPHXNRUSWFQL-UHFFFAOYSA-N 482.521 4.290 50 10 JIGE CC1(C)OCCN(Cc2ccc(I)c(Br)c2)[C@H]1CCl 2349832899 WJSSDPLITBGKIW-ZDUSSCGKSA-N 458.565 4.272 50 10 JIGE O=C(N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1ccn(Cc2cccc(Br)c2)n1 20436908 FFYRBBKPBOSJNQ-UFFVCSGVSA-N 462.691 4.019 50 10 JIGE C[C@@H](Cl)C(=O)Nc1ccc(N(C)C)c(CN(C[C@@H]2CCCO2)C(=O)c2cccs2)c1 34921676 MEYJCVXEVDORAJ-QAPCUYQASA-N 450.004 4.201 50 10 JIGE Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/NC(=O)COc2c(C)cc(C)cc2C)cc1 59166483 MDZJMWLITYPXII-CVKSISIWSA-N 466.559 4.217 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N[C@@H]2CCC[C@H]2CBr)cc1Br 231619493 AOVVBCOUZPFADF-JOYOIKCWSA-N 490.055 4.362 50 10 JIGE C[C@@H]1CCN(C(=O)c2cc(I)ccc2Br)[C@@H]1CBr 235347080 BUWRUNZXAHXSMU-PRHODGIISA-N 486.973 4.299 50 10 JIGE CCCCOc1ccc(C(=O)NCC(=O)NN=Cc2ccc(OC(=O)c3cccs3)cc2)cc1 254827004 RXCAJIZOVJMTMT-UHFFFAOYSA-N 479.558 4.026 50 10 JIGE Cc1cc(/C=C(/C#N)C(=O)Nc2cnn(CCN(C)C)c2)c(C)n1-c1ccc(Br)cc1 726943529 PLEIRQKDFIIBLP-UNOMPAQXSA-N 481.398 4.160 50 10 JIGE COc1ccc(Br)c(CNC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)c1 918623843 CCVWIGKOFBOOIS-PDGQHHTCSA-N 490.361 4.458 50 10 JIGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(-c3ccc(C(=O)OC)cc3)o2)cc1 1084418953 PLKIOGLHNWWTFL-QFIPXVFZSA-N 450.491 4.096 50 10 JIGE COc1cc(C=NNC(=O)COc2ccc(C(C)C)cc2Br)ccc1OC(C)=O 1084657422 PCXYOHVSRCGDGS-UHFFFAOYSA-N 463.328 4.036 50 10 JIGE C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F 1087669517 KRBPZFUDFIYREM-KNXALSJPSA-N 471.273 4.186 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCC2(C1)CN(C(=O)OC(C)(C)C)C2 1254765129 PUGHGYONIYHMQY-MRXNPFEDSA-N 461.694 4.272 50 10 JIGE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NNc1ccc([N+](=O)[O-])cc1Br 1633603453 IBYUTDXCMWNUJW-HNNXBMFYSA-N 457.325 4.050 50 10 JIGE CC(C)c1ccc(/C=C/C(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 1860772210 VFMFWEKFMRQENC-MVIRQZGPSA-N 478.618 4.128 50 10 JIGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@@H](c2ccc(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865706009 LQCQLCMACUHRJD-QHCPKHFHSA-N 466.497 4.480 50 10 JIGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)c(OC)c1 1865708451 XBIMNFIEGOYYLG-SFHVURJKSA-N 474.414 4.325 50 10 JIGE O=S(=O)(C[C@@H](Br)c1cc(Br)sc1Br)N1CCCC1 2028953260 NOINZCMUZLFQCA-MRVPVSSYSA-N 482.057 4.135 50 10 JIGE O=C(N[C@@H]1C[C@H]2C[C@H]1C[C@@H]2Cl)c1ccc(I)c(Br)c1 2104409482 YEZNDRCAXWLBBK-UPBCOZELSA-N 454.533 4.189 50 10 JIGE O=C(N[C@@H](CCl)c1cscn1)c1cc(Br)ccc1I 2119045325 NKKBSMQRBZQPII-JTQLQIEISA-N 471.545 4.220 50 10 JIGE O=S(=O)(c1ccc(CBr)cc1Br)N1CCC=C(Br)C1 2123269079 HGDJGDGZICPHSM-UHFFFAOYSA-N 474.012 4.017 50 10 JIGE CN(CCN(CC(F)(F)F)C(=O)c1ccc(CBr)cc1)C(=O)OC(C)(C)C 2163053025 JSYGJSTZTSAXRL-UHFFFAOYSA-N 453.299 4.453 50 10 JIGE C[C@@H]1CCC[C@@H](CNC(=O)OC(C)(C)C)N1S(=O)(=O)c1ccc(CBr)cc1 2163056016 NIQDADOZSLIIAP-ZBFHGGJFSA-N 461.422 4.038 50 10 JIGE CO[C@H]1C[C@H](O[C@H](CI)c2cccc(Br)c2)C[C@H]1OC 2166423565 YCORJWHSAQDNLG-APIJFGDWSA-N 455.130 4.134 50 10 JIGE C[C@@H](NS(=O)(=O)c1ccc(CBr)cc1)c1csc(NC(=O)OC(C)(C)C)n1 2170789382 YFDUGVOHASSZEU-LLVKDONJSA-N 476.418 4.425 50 10 JIGE Cc1cc(CBr)ccc1S(=O)(=O)N(C)[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 2179774983 IYOWSXQQPWUNJO-FXAWDEMLSA-N 451.430 4.173 50 10 JIGE CC(C)(C)[C@@H]1[C@@H](Br)CCN1C(=O)c1ccc(I)c(O)c1 2185100218 OEFNAVQRPCHLOZ-GWCFXTLKSA-N 452.130 4.021 50 10 JIGE O=C(c1ccc(I)c(O)c1)N1CCCC[C@@H]1CCCBr 2206674925 NGQJPHWFVXCSOI-GFCCVEGCSA-N 452.130 4.167 50 10 JIGE O=C(Cc1ccc(Br)cc1Cl)N1C[C@@H](Br)[C@H](Br)C1 2221697102 IOEGVUCKVSLSKC-NXEZZACHSA-N 460.391 4.014 50 10 JIGE O=C(NC[C@@H]1CC[C@H](CBr)CO1)c1cc(Br)c(Br)s1 2264732282 XWQLYRQVXDJPJM-SFYZADRCSA-N 476.028 4.193 50 10 JIGE C[C@@H]1C[C@@H](Br)CN(C(=O)Cc2cc(Br)cc(Br)c2)C1 2277916478 OAYOOQGJLILAEQ-NOZJJQNGSA-N 454.000 4.386 50 10 JIGE CCCN1CC[C@H]([C@@H](Br)c2ccc(Cl)c(I)c2)S1(=O)=O 2283566049 MHWFLVSTKIPUNT-OLZOCXBDSA-N 492.604 4.195 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)[C@H](Br)C2CCCC2)C(F)(F)CC1 2284575436 HWCCYLGPLSDOIS-LSDHHAIUSA-N 453.368 4.481 50 10 JIGE CC(=NNC(=O)C(=CC(=O)c1ccccc1)c1nnc(O)c2ccccc12)c1cccc(C)c1 2294802203 SLWUPCSHBHDHJZ-UHFFFAOYSA-N 450.498 4.451 50 10 JIGE O=C(NNc1ccccn1)[C@H]1CCCN(C(=O)C=Cc2ccc(OCc3ccccc3)cc2)C1 2328569429 LUJNZONEMGWEMO-QHCPKHFHSA-N 456.546 4.056 50 10 JIGE CCCCOc1ccc(C=NNC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)cc1OCC 2328825037 HXLZBCWOHNJKAH-SFHVURJKSA-N 467.632 4.361 50 10 JIGE O=C(N[C@H]1C[C@@H](CCl)[C@@H]2C[C@H]12)c1cc(I)ccc1Br 2329874834 GAHBHSRKYLPKFS-PYSAPBNWSA-N 454.533 4.047 50 10 JIGE Cn1cc(I)c(C[C@@H](CBr)Cc2ccccc2Cl)n1 2341763598 WAJPFGXBGHPAHY-JTQLQIEISA-N 453.549 4.474 50 10 JIGE COc1ccc(/C=N/NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1CN1CCCc2ccccc21 3064524 LELTYQORRQGLIH-STBIYBPSSA-N 489.572 4.438 50 10 JIGE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1 3143409 OUSYJRIFYOBPFF-JCBHBBAGSA-N 485.544 4.362 50 10 JIGE Cc1ccccc1C(=O)Nc1ccc(C(=O)N/N=C2/C(=O)Nc3ccc(Br)cc32)cc1 13980251 RVZHFFDEZINUSB-UHFFFAOYSA-N 477.318 4.096 50 10 JIGE Cc1cc(OCC(=O)NNC(=O)c2cc(Br)ccc2OCC(C)C)ccc1Cl 14666885 XLMXPWDEYYSYIA-UHFFFAOYSA-N 469.763 4.286 50 10 JIGE CC(C)(CCl)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1nnc(-c2ccc(F)cc2)s1 16607710 QYKONKZGSFTBOT-KRWDZBQOSA-N 460.962 4.275 50 10 JIGE Cc1c(C(=O)N2c3ccccc3C[C@@H]2C)oc2c1/C(=N/NC(=O)COc1ccccc1)CCC2 40816031 DSJCSEKAHCXHEF-ZCZMWGMNSA-N 457.530 4.415 50 10 JIGE COc1ccc(/C=N/NC(=O)CSc2nnc(COc3ccc(C)cc3)n2-c2ccccc2)cc1 48533599 KZGFZKZSHQWKMI-JVWAILMASA-N 487.585 4.406 50 10 JIGE Cc1ccc(S(=O)(=O)N2C[C@@]3(C)C[C@H]2[C@@H](Br)C[C@@]3(C)Br)cc1 254743658 BKSBXIIEJGSZRP-CAOSSQGBSA-N 451.224 4.085 50 10 JIGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2ccc(O)cc2F)C1 382725663 PZUIDBCZZIIBED-RHSMWYFYSA-N 455.267 4.319 50 10 JIGE O=C(NN=C1c2ccccc2C[C@@H]1NC(=O)c1ccccc1)Nc1ccc(OC(F)(F)F)cc1 1088705213 BRZXSPLBJCMERI-FQEVSTJZSA-N 468.435 4.466 50 10 JIGE C#CCN1CCC[C@H](NC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)C1 1471832865 KWFGMAVLESOKFS-IMEWXKHHSA-N 454.496 4.234 50 10 JIGE O=[N+]([O-])c1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2CI)c([N+](=O)[O-])c1 1614701505 KXHFFFKXQIPRIE-RHSMWYFYSA-N 467.263 4.154 50 10 JIGE CC(=O)c1ccc(Br)c(NC(=O)NNC(=O)c2cc3c(s2)CC[C@H](C)C3)c1 1627104718 FKJDIXVEDSOXDP-JTQLQIEISA-N 450.358 4.305 50 10 JIGE CCN1CCN(C(=O)c2oc3c(c2C)C(=NNC(=O)Cc2coc4c(C)c(C)ccc24)CCC3)CC1 1772751509 DWFSLZVMGWIHJO-UHFFFAOYSA-N 490.604 4.128 50 10 JIGE COc1ccc(CCC(=O)Nc2cccc(C(=O)Nc3ccc(SC#N)cc3)n2)cc1OC 1860559530 GAKQHBRCYMCYGM-UHFFFAOYSA-N 462.531 4.496 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(Cl)c2)[C@H]1c1ccc(O)cc1O 1865680972 BJOOJDWTIJEBOR-INIZCTEOSA-N 462.815 4.233 50 10 JIGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2cc(Cl)ccc2O)cc1 1865689383 QZEUGRXZBLHMOI-MRXNPFEDSA-N 462.815 4.477 50 10 JIGE Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccccc1C(=O)O)C(C#N)=C(N)O2 1865703933 IYRJPSQFJSTWLP-LJQANCHMSA-N 455.301 4.463 50 10 JIGE Cn1nc(C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)cc1-c1ccco1 1867252660 IFOUTQYKJRUFIH-FQEVSTJZSA-N 471.542 4.233 50 10 JIGE CC(C)(C)OC(=O)N[C@H](CBr)[C@@H]1CN(C(=O)OC(C)(C)C)[C@@]2(CCCOC2)C1 1885098207 XAZZWJALRQPJQU-MDOVXXIYSA-N 463.413 4.081 50 10 JIGE CC[C@@H](CBr)CNC(=O)c1cc(I)ccc1Br 1948707267 VSMMKUKLZONQAE-QMMMGPOBSA-N 474.962 4.205 50 10 JIGE C[C@H](Br)C[C@H](C)NC(=O)c1ccc(Br)cc1I 2026219012 UEJKMVRKFRFCAU-YUMQZZPRSA-N 474.962 4.346 50 10 JIGE CCOC(=O)c1cc(I)c(OC(F)(F)F)cc1CBr 2055277687 MPEKCIJCTLCZJS-UHFFFAOYSA-N 452.992 4.261 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC[C@H]2C[C@@]23CCCOC3)C1 2077655443 XAXUXGIQGWVHRO-ATZDWAIDSA-N 465.372 4.024 50 10 JIGE Cc1cc(S(=O)(=O)N(C)Cc2cnn(Cc3ccccc3)c2)sc1CBr 2123243690 NCGVVTUWZOBPII-UHFFFAOYSA-N 454.415 4.017 50 10 JIGE Cc1sc(Br)cc1S(=O)(=O)N1CC[C@@H](Br)C(F)(F)CC1 2150021773 LHGIXVGLOIXJMM-SECBINFHSA-N 453.168 4.002 50 10 JIGE O=C(c1ccc(I)cc1)N1C[C@@]2(F)CCC[C@@]2(CBr)C1 2176629245 AASIDCGKVPBFKI-CABCVRRESA-N 452.105 4.021 50 10 JIGE Cc1cc(S(=O)(=O)N(C)C2CC(OCc3ccccc3)C2)cc(CBr)c1F 2179858817 UJKHPOLRHNYDQG-UHFFFAOYSA-N 456.377 4.397 50 10 JIGE CN(CC1CC(Br)C1)C(=O)COc1ccc(Br)cc1Br 2196922884 MAHBPLILPXHWEK-UHFFFAOYSA-N 469.999 4.222 50 10 JIGE COc1ccc([C@@H](Br)c2nn(C)nc2Br)c(Br)c1Cl 2268260863 BDYAAERGXJXHMY-MRVPVSSYSA-N 474.378 4.486 50 10 JIGE C[C@@]1(CNS(=O)(=O)c2cc(Cl)c(Br)s2)CCC[C@H]1Br 2271277969 UATWPYKGRRRRKO-KCJUWKMLSA-N 451.633 4.396 50 10 JIGE O=C(N[C@H]1C[C@@H](CBr)[C@@H]2C[C@@H]12)c1cccc(Br)c1Br 2329871363 MAEWMMZAFJYPDU-ZFNBHVESSA-N 451.984 4.361 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CC[C@H]2[C@H](CCl)[C@H]2C1 2333118880 KWXFLNGMCOPPAN-DLOVCJGASA-N 454.533 4.001 50 10 JIGE COc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1Br 12487916 WSIHKTFLNNMIFW-UHFFFAOYSA-N 474.355 4.051 50 10 JIGE CC(C)(C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2cccc(Cl)c2)c(Br)c1 14005315 DHAKTOATZXMGDF-UHFFFAOYSA-N 498.830 4.115 50 10 JIGE CCOC(=O)C1CCN(c2nc3c(C)cccn3c(=O)c2/C=C(/C#N)c2nc3ccccc3s2)CC1 33725792 QAFWNXDGLHFYON-CYVLTUHYSA-N 499.596 4.456 50 10 JIGE COc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2ccccc2C)cc1 39858567 VVZLOWBCOPHCDO-SDXDJHTJSA-N 452.470 4.350 50 10 JIGE COc1ccc(-c2nn(Cc3ccccc3F)cc2/C=C(/C#N)C(=O)NCc2ccccn2)cc1OC 96438285 FRSJFWPBJMPJRE-BKUYFWCQSA-N 497.530 4.373 50 10 JIGE CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C1=O 101341413 OBEBPRCVBMMVSM-XDHOZWIPSA-N 483.318 4.255 50 10 JIGE Cc1c(C(=O)NNC(=O)c2ccccc2)oc2c1/C(=N/NC(=O)c1cccc3ccccc13)CCC2 101602871 IYAQYXRMMOYNAT-QUPMIFSKSA-N 480.524 4.286 50 10 JIGE CCOC(=O)[C@H]1C[C@H](OCc2cccc(Br)c2)[C@H](I)C1 162547536 CGIYDDZDWRDIJU-BNOWGMLFSA-N 453.114 4.111 50 10 JIGE CCCOc1ccc(C=NNC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)cc1OC 254292603 ARULQWAHUCBRNB-UHFFFAOYSA-N 476.558 4.073 50 10 JIGE CC(CC12CC3CC(CC(C3)C1)C2)=NNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 254309256 VUFMOQDZOTXETF-JHLQHZFVSA-N 471.667 4.494 50 10 JIGE COc1cccc(C=NNC(=O)CSc2nnc(SCc3ccccc3)s2)c1OC 254378436 FULDSAWLCGUVRL-UHFFFAOYSA-N 460.606 4.090 50 10 JIGE CCCCOc1ccc(C(=O)NCC(=O)NN=Cc2ccccc2OCc2ccccc2)cc1 254866437 JHADFPIOVTXECL-UHFFFAOYSA-N 459.546 4.325 50 10 JIGE C[C@H](CBr)CN(C)C(=O)c1cc(I)ccc1Br 689001657 GMQNXKHSAXVXGN-MRVPVSSYSA-N 474.962 4.157 50 10 JIGE Cn1ncc(Br)c1[C@H](Br)c1cc2nc(O)[nH]c2cc1Br 693082679 AREGFJVYNCXHQG-SNVBAGLBSA-N 464.943 4.011 50 10 JIGE C[C@@H](NS(=O)(=O)c1cc(Br)ccc1Br)C1(CBr)CC1 696079201 PBCWWJITTLWWKN-MRVPVSSYSA-N 476.028 4.054 50 10 JIGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1cccc(CCCBr)c1 703969853 MESQLPNQJSJNGV-UHFFFAOYSA-N 493.423 4.078 50 10 JIGE CS(=O)(=O)CCCCOc1c(Br)cc(Br)cc1CBr 706018027 PRKGUAPQOQSPKF-UHFFFAOYSA-N 479.028 4.310 50 10 JIGE CN(C(=O)c1cc(Br)ccc1I)[C@@H]1CCC[C@@H]1Br 709269664 XHZARRGLYUMELE-CMPLNLGQSA-N 486.973 4.442 50 10 JIGE CCCC(=O)NC[C@@H]1CCCN(C(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(F)cc3)c2C)C1 726170781 BEWCBECPMJTYDD-ISXGRJCASA-N 450.558 4.295 50 10 JIGE O=C(NN=Cc1ccc(N2CCOCC2)c(F)c1)c1ccccc1OCc1ccc(F)cc1 727254340 QOTPLOGRMBFRPN-UHFFFAOYSA-N 451.473 4.144 50 10 JIGE C[C@H]1CCc2sc(C(=O)NNC(=O)N3CCC([C@@H]4C(=O)Nc5cc(Cl)ccc54)CC3)cc2C1 727473749 RJFMGBIRGYVLRS-ZSEKCTLFSA-N 487.025 4.329 50 10 JIGE CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNC(=O)[C@H]2Cc3ccccc3O2)cs1 748139837 KIDBGFXPIBUMGZ-LJQANCHMSA-N 474.464 4.300 50 10 JIGE CCCCCOc1ccccc1C(=O)NN=C1C(=O)N(CCN2CCCCC2)c2ccccc21 1084121999 UZBXURYOGZNMDC-UHFFFAOYSA-N 462.594 4.222 50 10 JIGE CC(=O)N1C[C@@H](CBr)[C@H](c2cc(Br)ccc2I)C1 1614643567 RMYNWKHUKVMCSI-BXKDBHETSA-N 486.973 4.011 50 10 JIGE CCc1cc(Br)ccc1OCC(=O)NN=Cc1ccc(OC)c(Br)c1 1772755345 BWHIKRQEGJQLBG-UHFFFAOYSA-N 470.161 4.312 50 10 JIGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@H](c2ccccc2[N+](=O)[O-])C(C#N)=C(N)O3)cc1 1865710027 MXBVKBIEERSRLC-OAQYLSRUSA-N 466.457 4.069 50 10 JIGE N#C/C(=C(/O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1872747185 QZNPPFWROJCWDO-SDXDJHTJSA-N 491.441 4.105 50 10 JIGE CC(C)(C)OC(=O)N[C@H](CBr)[C@@H]1CN(C(=O)OC(C)(C)C)C2(CCOCC2)C1 1885095652 CPNJFOMJIKUBMW-LSDHHAIUSA-N 463.413 4.081 50 10 JIGE CN(C(=O)c1sccc1I)C1(CBr)CCSCC1 2051499402 PXVIMYYTCUWRLU-UHFFFAOYSA-N 460.200 4.085 50 10 JIGE O=C(c1cc(Br)sc1Br)N1C[C@@H]2C[C@H](CBr)[C@@H]2C1 2053979932 GGZGATPPSHTRHH-FJXKBIBVSA-N 458.013 4.376 50 10 JIGE C[C@H]1C[C@@H](CBr)CN1C(=O)c1ccc(Br)cc1I 2086147288 LOXVYLCGKNYVBD-IUCAKERBSA-N 486.973 4.299 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1CC(F)(F)C[C@@H]1CBr 2102793255 XUJKVQBLGJRWDL-MRVPVSSYSA-N 464.475 4.189 50 10 JIGE CC1(C)CCN(C(=O)Cc2ccccc2I)C[C@H]1CBr 2148670579 RAFRETCOITZUFB-CYBMUJFWSA-N 450.158 4.103 50 10 JIGE CN(Cc1ccccc1)[C@@H]1CCCCN(S(=O)(=O)c2cc(CCl)oc2Br)C1 2169154672 VMQRIPYCYYAPKT-MRXNPFEDSA-N 475.836 4.456 50 10 JIGE O=S(=O)(c1ccc(F)c(CBr)c1F)N1CC[C@H](COCc2ccccc2)C1 2179860062 MPXYZMASWFMHAS-HNNXBMFYSA-N 460.340 4.087 50 10 JIGE Cc1cc(C)c(S(=O)(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)cc1CBr 2179860730 WVSMCPBUMSBMSD-HXUWFJFHSA-N 451.430 4.093 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1[C@H]2CC[C@H]1[C@H](F)[C@@H](Br)C2 2190680410 WHFCFCHJQDQNGZ-SKZLGDCLSA-N 472.523 4.423 50 10 JIGE CN(C[C@H]1C[C@H](Br)C1)C(=O)[C@H](NC(=O)OC(C)(C)C)C1CCC(F)(F)CC1 2196914351 MRXOZMSSVBYNBZ-BPLDGKMQSA-N 453.368 4.337 50 10 JIGE Cc1cc(C(=O)N2CC[C@H](Br)C(F)(F)CC2)ccc1I 2207095135 BPWHVIDNIYLIQI-LBPRGKRZSA-N 458.084 4.234 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@H](F)C[C@@H](Br)C1 2219179566 HGHLFIJOUSWQQC-RKDXNWHRSA-N 490.936 4.001 50 10 JIGE ClCc1nnc(Oc2c(I)cc(Cl)cc2I)o1 2252896572 HKFRQLCUJFOHAM-UHFFFAOYSA-N 496.857 4.463 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1CCC(CI)CC1 2256364003 CQYFXDLBEHCDMY-UHFFFAOYSA-N 489.522 4.232 50 10 JIGE C[C@@H](Br)C12CCC(CC1)N2C(=O)c1c(F)cccc1I 2282809712 UETAZKGDZKXVCH-SBTGLGLWSA-N 452.105 4.351 50 10 JIGE COc1ccc(-c2csc(C(C#N)=C(O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)c(C)c1C 2331362720 IHVSADAFMICOOC-UHFFFAOYSA-N 490.497 4.433 50 10 JIGE O=C(N[C@H]1C[C@@H]([C@H](F)CBr)C1)c1ccc(Cl)cc1I 2340057262 KXECMLSWQCLTSZ-POZPLHJXSA-N 460.512 4.186 50 10 JIGE CN(C(=O)c1ccc(Cl)cc1I)[C@H](CCBr)C(F)F 2340060187 ZVYXBJYSHNXHFQ-SNVBAGLBSA-N 466.491 4.435 50 10 JIGE ClC[C@@H](C[C@@H]1CCOC1)NCc1ccc(I)c(Br)c1 2349860329 XBXDYUDPZUGAQV-NWDGAFQWSA-N 458.565 4.177 50 10 JIGE CC(C)(C)OC(=O)N1CCN(C[C@]2(CBr)CC2(F)F)C[C@@H]1CC(F)(F)F 2351890351 KAQUMYLAWCACFJ-SMDDNHRTSA-N 451.274 4.280 50 10 JIGE C[C@@H](NC(=O)c1ccc(Cl)cc1I)c1nnc(CBr)s1 2365590591 HSHJUDHBAHEMSF-ZCFIWIBFSA-N 486.560 4.182 50 10 JIGE Cc1cc(Br)cc(Br)c1OCC(=O)N/N=C/c1ccc([N+](=O)[O-])s1 12482910 SWGOYMQXCQWFCU-UBKPWBPPSA-N 477.134 4.019 50 10 JIGE O=C(Cc1cccc2ccccc12)NC(=S)NNC(=O)c1ccc(OCc2ccccc2)cc1 14028044 DKFBFLCQNMBTJV-UHFFFAOYSA-N 469.566 4.297 50 10 JIGE CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)cc1OC 34705728 YAGXWEDCYJJEDI-SDQBBNPISA-N 462.256 4.016 50 10 JIGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(Nc2ccccc2F)c1[N+](=O)[O-] 40627694 ZWXWQJXZIUCJPZ-UHFFFAOYSA-N 467.244 4.096 50 10 JIGE O=C(NNc1ncnc(Nc2cccc(Br)c2)c1[N+](=O)[O-])c1cccc(Cl)c1 40658591 HVZPTXSZUCYGQS-UHFFFAOYSA-N 463.679 4.301 50 10 JIGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cncc(Br)c2)CCC3)nc1 40823138 UWRGNUMUOFQYOW-JVWAILMASA-N 482.338 4.172 50 10 JIGE CCn1ncnc1CC(CBr)(CBr)c1ccc(Br)cc1 118878536 XBAHLVQSRJRXAJ-UHFFFAOYSA-N 466.015 4.331 50 10 JIGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\NCc1cccc(Cl)c1 217254370 CEKWDXVEBPESCV-KAMYIIQDSA-N 451.695 4.389 50 10 JIGE COc1cc(C=NNC(=O)COc2ccc(Cl)cc2)ccc1OC(=O)c1cccc(F)c1 252638734 YFHGOSGDWMQYDL-UHFFFAOYSA-N 456.857 4.236 50 10 JIGE COc1ccccc1C=NNC(=O)CN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(C)(=O)=O 254619760 ZSQQDQIFLJDCNC-UHFFFAOYSA-N 495.645 4.079 50 10 JIGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3cccc([N+](=O)[O-])c3)n2-c2ccccc2)cc1 254734754 JNYOTEOVCOGDSE-UHFFFAOYSA-N 488.529 4.094 50 10 JIGE C[C@H]1CN(S(=O)(=O)c2cc(Br)ccc2Br)C[C@H](C)C1Br 688093042 NUMQJVIMJNEGFR-IUCAKERBSA-N 490.055 4.252 50 10 JIGE C[C@@H]1CN(C(=O)c2ccc(I)c(Br)c2)C[C@@H]1CBr 709398419 RCPRBKXHJYCJHT-SCZZXKLOSA-N 486.973 4.157 50 10 JIGE C[C@@H]1CCCN(C(=O)c2cccc(F)c2I)[C@@H]1CCBr 721698237 OTLLUYIAZHGGFH-ZWNOBZJWSA-N 454.121 4.456 50 10 JIGE Cc1cc(/C=C(\C#N)C(=O)NC2CCN(C(=O)CC(F)(F)F)CC2)c(C)n1-c1ccccc1F 726947814 HEMVHBBTFJRIMV-LDADJPATSA-N 476.474 4.200 50 10 JIGE O=C(NN=C1C(=O)N(CCc2ccccc2)c2ccc(Br)cc21)c1ccccc1[N+](=O)[O-] 1084323662 BJOXTRBWXUYHEG-UHFFFAOYSA-N 493.317 4.081 50 10 JIGE Cc1ccc(S(=O)(=O)Oc2ccccc2C=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1 1084640485 LRSZOSMOYFZYGI-UHFFFAOYSA-N 486.365 4.046 50 10 JIGE CC1(C)[C@H]2CC[C@]1(C)C(=NNC(=O)CSc1nc3ccccc3c(=O)n1-c1cccnc1)C2 1087348761 NOMUNLCOPRCHAI-IVCQMTBJSA-N 461.591 4.191 50 10 JIGE CN(C(=O)OC(C)(C)C)c1ccc(NS(=O)(=O)c2ccc(CBr)cc2)cn1 1260504649 SBSROZMDXYNLLK-UHFFFAOYSA-N 456.362 4.149 50 10 JIGE C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1 1449280387 YDYVJJAGXMCTFR-AWEZNQCLSA-N 453.424 4.121 50 10 JIGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(C)cc2)ccc1O 1865706355 UQAKWTQPRFSXSY-SFHVURJKSA-N 456.424 4.191 50 10 JIGE Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccccc2[N+](=O)[O-])cc1 1865709878 JHBVAONCRAKLGR-KRWDZBQOSA-N 455.396 4.385 50 10 JIGE CN(Cc1ccc(I)c(Br)c1)C[C@@H]1C[C@@H]1Br 1904322580 QTMGJORUONRNRY-UWVGGRQHSA-N 458.963 4.269 50 10 JIGE O=S(=O)(N[C@H](CCBr)C(F)(F)F)c1c(Cl)cccc1Br 1918518967 AXIRRPRUVDZROK-MRVPVSSYSA-N 459.509 4.097 50 10 JIGE CCC[C@H](CBr)CN(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C 1955956774 SMYVOOHUPJGOSG-MRXNPFEDSA-N 466.461 4.149 50 10 JIGE O=C(CBr)c1cc(I)c(OC(F)F)c(C(F)(F)F)c1 2060376986 YQGPSKJOGIRHDR-UHFFFAOYSA-N 458.946 4.489 50 10 JIGE O=C(NC[C@H]1CCC[C@@H]1CCl)c1ccc(Br)cc1I 2142285861 VPZGRUKIXLHKFE-NXEZZACHSA-N 456.549 4.439 50 10 JIGE O=S(=O)(c1ccc(Br)c(CCl)c1)N1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2144831542 XNABARMMCVHTFG-HDICACEKSA-N 469.832 4.225 50 10 JIGE CN([C@H]1CN(Cc2ccccc2)C(C)(C)C1)S(=O)(=O)c1ccc(CBr)cc1 2154833939 YOLXTXWPEWJNOU-LJQANCHMSA-N 451.430 4.255 50 10 JIGE Cc1cc(Br)c(NC(=O)CN(C)C[C@H]2C[C@@H]2Br)c(Br)c1 2196932561 ZPIGTJGZIIFHKK-ZJUUUORDSA-N 469.015 4.174 50 10 JIGE C[C@@H](CBr)CC1CN(c2ncc(I)cc2Br)C1 2216686454 KAZDZVWGOIWHNF-MRVPVSSYSA-N 473.978 4.306 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC[C@@]23C[C@@H](CO2)C3(C)C)C1 2260699242 QPEAMVCFVLADMO-GDIGMMSISA-N 465.372 4.023 50 10 JIGE O=C(c1c(F)cccc1I)N1C[C@@H]2CCC[C@H](Br)[C@H]2C1 2282792056 MFBVTOLZBRMLEZ-DCAQKATOSA-N 452.105 4.066 50 10 JIGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccccc2Br)cc1 2314785110 JYPNXSDHMSPUMY-UHFFFAOYSA-N 457.324 4.257 50 10 JIGE O=C(N[C@H]1C[C@@H]2C[C@H]1C[C@@H]2Br)c1cc(I)ccc1Br 2330900791 JJBDZZRJQDLXJY-XMUKKISLSA-N 498.984 4.346 50 10 JIGE C[C@@]1(NC(=O)c2csc(I)c2)C[C@H]2CC[C@H]1C[C@H]2Br 2352782245 AMJYQBHWGZORHZ-JMLLCIOISA-N 454.171 4.425 50 10 JIGE CC[C@@H](Br)[C@@H]1CCCCN1C(=O)c1c(Br)c(Br)nn1C 2364230500 NKHMVBAFPUMEBG-BDAKNGLRSA-N 472.019 4.113 50 10 JIGE Cc1cc(OCC(=O)NNC(=O)COc2ccc(Br)cc2C(C)(C)C)ccc1Cl 14668111 ITCWYWGLSUIYAJ-UHFFFAOYSA-N 483.790 4.314 50 10 JIGE C[C@@H](Nc1cccc2ccccc12)C(=O)N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O 27528118 TYEDNUOBUSNRFS-VTGBELTLSA-N 457.284 4.167 50 10 JIGE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OC)c(OC)c2)cc1 38658662 RWZFYSCQRBLYFZ-AREMUKBSSA-N 472.497 4.079 50 10 JIGE O=C(NNc1ncnc(N2CCC(Cc3ccccc3)CC2)c1[N+](=O)[O-])c1cccc(Cl)c1 40611772 FSTDVELXYXXTJQ-UHFFFAOYSA-N 466.929 4.254 50 10 JIGE C[C@H](NC(=O)CCC(=O)C(C#N)=C1N(C)c2ccccc2N1C)c1ccccc1Br 108787638 ZXCGUFDBHIXIIV-HNNXBMFYSA-N 467.367 4.297 50 10 JIGE COC(=O)c1cccc(N/C=C(/C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 216508943 WMNHOEFKTPMJGW-DAFNUICNSA-N 480.568 4.226 50 10 JIGE Cc1c(Br)cc(NCC(=O)NN=Cc2ccc(N(C)C)cc2)cc1Br 252635219 WVNADLCFSUUTMY-UHFFFAOYSA-N 468.193 4.148 50 10 JIGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccccc3)n2-c2ccc(OC)cc2)cc1 254466105 AXZVWIMSTDPQEB-UHFFFAOYSA-N 473.558 4.194 50 10 JIGE Clc1cc(I)c(OCCBr)c(I)c1 306413040 NBFJAVFQNJOJEW-UHFFFAOYSA-N 487.300 4.323 50 10 JIGE Cc1cc(CCl)cc(S(=O)(=O)N2CC[C@@H](OCc3ccccc3)C2)c1Br 383739689 ANBCPWQFYFSDNS-QGZVFWFLSA-N 458.805 4.476 50 10 JIGE COc1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)c(N)c1 394501512 BGUBMKQGUROOCZ-MAUKXSAKSA-N 466.319 4.065 50 10 JIGE Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1C=NNC(=O)c1ccc(Cl)cc1Cl 1084361180 UAHGSDWTTBDYFK-UHFFFAOYSA-N 477.264 4.376 50 10 JIGE N#CCCn1cc(/C=C(/C#N)C(=O)Nc2ccc(-n3cncn3)cc2)c(-c2ccc(Cl)cc2)n1 1115866512 FUBHBHSXLFSTBZ-PDGQHHTCSA-N 468.908 4.244 50 10 JIGE COc1cc(C=NNC(=O)COc2cc(C)c(Br)cc2C(C)C)cc(OC)c1OC 1772754291 GMPHEXQOPRNAGT-UHFFFAOYSA-N 479.371 4.436 50 10 JIGE COCCOc1ccc(/C=C(\C#N)C(=O)NC[C@@H](c2c(F)cccc2Cl)N2CCCC2)cc1 1866214071 PPNXDWHYVVUCLM-UWUFYVNFSA-N 471.960 4.365 50 10 JIGE N#C/C(=C(/O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2c[nH]c3ccccc23)cs1 1872751808 UPKSCYXARKFHRC-RGEXLXHISA-N 471.454 4.288 50 10 JIGE COC(=O)c1c(NC(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)sc(/C(C)=C/C#N)c1C 1873427350 PFFQKTAZUDCABZ-HGZMWJMZSA-N 465.531 4.029 50 10 JIGE CC(C)(C)OC(=O)NC1C[C@@H]2CSC[C@H](C1)C21CC[C@@H](CI)O1 1901987068 JPZWXEXZIPQUSN-VSQGTZNVSA-N 453.386 4.006 50 10 JIGE O=C(c1csc(Br)c1Br)N1C[C@@H](Br)C[C@@]2(CCCO2)C1 1924242306 PJZPZKDGQBHWDG-SDBXPKJASA-N 488.039 4.432 50 10 JIGE CN1CCC[C@H]([C@@H](Br)c2cc(Br)sc2Br)S1(=O)=O 2029051033 CWHPFJWMJSDZHQ-APPZFPTMSA-N 482.057 4.133 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@@H](Br)C2(CC2)C1 2032401573 YAQHCBRJKYZWQR-LLVKDONJSA-N 484.957 4.053 50 10 JIGE Oc1ccc(Cn2nc(CBr)c(I)c2C(F)(F)F)c(F)c1 2079250686 JFICXUIKTOIAPP-UHFFFAOYSA-N 479.009 4.294 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1[C@H](CBr)[C@H]2CC[C@@H]1C2 2178702476 QJAAFAOQDGIWNV-MKPLZMMCSA-N 488.039 4.148 50 10 JIGE Cc1ccc(CBr)cc1S(=O)(=O)N(C)C[C@H]1CCN(Cc2ccccc2)C1 2179787246 MBGCCCDGOUDNCC-HXUWFJFHSA-N 451.430 4.033 50 10 JIGE CN([C@@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]21)S(=O)(=O)c1occc1CBr 2190547860 OWWVMBCXLZLNEH-WJFTUGDTSA-N 454.386 4.179 50 10 JIGE C[C@H](Br)CCc1cn(-c2ccc(Br)cc2I)nn1 2223633484 XEJZTTUEHSMDNP-QMMMGPOBSA-N 484.961 4.350 50 10 JIGE C=CC[C@@]1(CBr)CCCN1C(=O)c1c(F)cccc1I 2287745101 MICZJFKTZZPVRJ-HNNXBMFYSA-N 452.105 4.376 50 10 JIGE COc1ccc([C@@H](C)NC(=O)C(C#N)=CNc2ccc(I)cc2C)cc1 2325055491 GNONXUSQWBALME-CQSZACIVSA-N 461.303 4.305 50 10 JIGE ClCCCO[C@H]1CCN(Cc2ccc(I)c(Br)c2)C1 2349853228 FQWZYZJIDZSRFY-LBPRGKRZSA-N 458.565 4.274 50 10 JIGE C[C@@H](Cl)CN(CC(C)(C)C)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364191437 VGJDOZUNKNCMST-QGZVFWFLSA-N 457.036 4.148 50 10 JIGE Cc1ccc(O[C@@H](C)C(=O)NNC(=O)c2ccc(OCC(C)C)c(Br)c2)cc1C 10153238 ZPBXPKUGQLNLES-INIZCTEOSA-N 463.372 4.329 50 10 JIGE Cc1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2Br)cc1Br 13979652 DANPSQMWKUPSIS-UHFFFAOYSA-N 476.552 4.013 50 10 JIGE CCN(c1cccc(C)c1)c1ncnc(NNC(=O)COc2ccc(Cl)cc2Cl)c1N 40661903 CVAUJTPRQPWZOI-UHFFFAOYSA-N 461.353 4.354 50 10 JIGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1c(OC)cccc1OC 40926191 LYLQKEUNHNWYFH-QGOAFFKASA-N 476.485 4.138 50 10 JIGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cc(C)n(-c3cc(C(=O)O)ccc3C)c2C)cc1 58894474 SLERMODNTLWKJE-PWDRKSFLSA-N 477.561 4.463 50 10 JIGE Cc1ccc(C2=NN3C(=N)/C(=C\c4ccc(OCCBr)cc4)C(=O)N=C3S2)cc1 102447381 LOCQDHYAOZAAND-UPLGOKCCSA-N 469.364 4.436 50 10 JIGE CCOC(=O)c1cnn(-c2cc(C)c3ccccc3n2)c1NC(=O)/C(C#N)=C/c1ccccc1 170537029 DUGBMHLOTXZUHR-XMHGGMMESA-N 451.486 4.451 50 10 JIGE CCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2)cc1 206700407 ZZIRTFBAOKJADM-TZKOODLUSA-N 467.481 4.414 50 10 JIGE CCCOc1ccc(CCC(=O)NN=CC(C)=NNC(=O)CCc2ccc(OCCC)cc2)cc1 254745741 WZTZBUVNUPBZBZ-UHFFFAOYSA-N 480.609 4.424 50 10 JIGE CN(C(=O)c1cc(I)ccc1Br)[C@@H]1CCC[C@@H]1Br 709264729 AHTIOHZMOVCXJB-NWDGAFQWSA-N 486.973 4.442 50 10 JIGE C[C@@H]1Cc2cc(Br)cc([C@H](Cl)c3cnn(C)c3I)c2O1 720126912 VNHWLAALYHVVEF-KRTXAFLBSA-N 467.532 4.439 50 10 JIGE CCOC(=O)O[C@]1(C(=O)OCCl)CC[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@@]21C 725240261 UJMSHOQZQCLVEP-AKRSBFBPSA-N 464.942 4.125 50 10 JIGE CCOc1cc(/C=C(\C#N)C(=O)N(C)C)c(Br)cc1OCc1ccc(C(=O)O)cc1 1084572292 VOEUQZMSEMQJRO-RQZCQDPDSA-N 473.323 4.120 50 10 JIGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)ccc1OCc1ccc(C(=O)O)cc1 1084605004 MDPVFEXRXBEHBD-QHCPKHFHSA-N 476.529 4.326 50 10 JIGE C#Cc1cccc(NC(=S)NNC(=O)c2ccc(-c3ccc(Br)cc3)n2C)c1 1455418271 YEKPYAJSFHGAHL-UHFFFAOYSA-N 453.365 4.067 50 10 JIGE COc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2cncc(Br)c2)CCC3)cc1 1772748342 WJNBAEOCCRMBIA-UHFFFAOYSA-N 497.349 4.477 50 10 JIGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)c(Cl)c2)c1O 1865683827 IYCQMMFGQGQKIH-LJQANCHMSA-N 457.317 4.479 50 10 JIGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@H](c2ccc(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865706008 LQCQLCMACUHRJD-HSZRJFAPSA-N 466.497 4.480 50 10 JIGE C[C@@H](Br)CN(Cc1ccccc1)C(=O)c1cc(I)sn1 1881736677 APVUZOAGPIMZLK-SNVBAGLBSA-N 465.154 4.174 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@H](Br)CC2(CC2)C1 1926028875 DEBQGMBACNBPMX-SNVBAGLBSA-N 498.984 4.443 50 10 JIGE CC(C)[C@@H](CCl)N(Cc1ccccc1)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 1978675956 HOTYDVJJYBOOSU-QPPBQGQZSA-N 495.016 4.106 50 10 JIGE CC(C)(C)OC(=O)N1C[C@@H](Br)[C@H](OCc2ccc(F)cc2Br)C1 1994982613 ZKNZPISQXSIDKB-ZIAGYGMSSA-N 453.146 4.488 50 10 JIGE CN(CCOCc1ccccc1)S(=O)(=O)c1ccc(Br)c(CBr)c1 2009710717 NGGSCVLWFDVBFK-UHFFFAOYSA-N 477.218 4.181 50 10 JIGE F[C@H](CBr)C1CCN(c2ncc(I)cc2Br)CC1 2069537948 RIAIQGJXYAIPJB-LLVKDONJSA-N 491.968 4.398 50 10 JIGE CC(C)(C)[C@H](CBr)CNS(=O)(=O)c1cc(Cl)c(Br)s1 2090198148 DCQVZDJEPWRZDH-SSDOTTSWSA-N 453.649 4.500 50 10 JIGE CC1(C)CCC[C@]1(CBr)NC(=O)c1cc(I)ccc1O 2150545352 MLOCGMGACCHKAU-OAHLLOKOSA-N 452.130 4.070 50 10 JIGE O=S(=O)(c1cc(Cl)c(Br)s1)N1C[C@@H]2CCC[C@H](C1)C2Br 2167777178 DUENGXUHSUKWSD-OQJHAAMPSA-N 463.644 4.348 50 10 JIGE C[C@H]1CN(Cc2ccccc2)CCN(S(=O)(=O)c2cc(CBr)ccc2Cl)C1 2179793590 WNXLXCGITCZHHR-INIZCTEOSA-N 471.848 4.378 50 10 JIGE CC(C)(C)OC(=O)N1CCc2sccc2[C@@H]1CNC(=O)N1CCC(Br)CC1 2194004142 WWNMAFHJHNWCBQ-HNNXBMFYSA-N 458.422 4.151 50 10 JIGE CSCC[C@H](Br)CCNC(=O)c1c(F)cccc1I 2267669625 OJCFIAMYLPIJCO-SECBINFHSA-N 460.150 4.067 50 10 JIGE Cc1cc(C)c2c(c1)C(=NNC(=O)C(=CC=Cc1ccccc1)NC(=O)c1ccccc1)C(=O)N2 2297318809 CNCLRYNSLHIXMZ-UHFFFAOYSA-N 464.525 4.103 50 10 JIGE C[C@H]1[C@H](C(F)(F)F)N(CC(C)(C)CI)CCN1C(=O)OC(C)(C)C 2306808603 BOSMFUYKYYNYRB-NWDGAFQWSA-N 464.310 4.320 50 10 JIGE COc1c(F)cc(CO[C@@](C)(CI)CNC(=O)OC(C)(C)C)cc1F 2316261484 OTULYPUCIWBJTC-KRWDZBQOSA-N 471.282 4.208 50 10 JIGE COc1cc(C=NNC(=O)c2ccc3nc(S)[nH]c3c2)ccc1OCc1ccccc1F 2323603981 UPGXEOMAKHRCBW-UHFFFAOYSA-N 450.495 4.342 50 10 JIGE O=C(NCC(F)(F)C(F)(F)CI)c1cc(F)cc(Br)c1 2361683758 GJHPDOVNTOANQZ-UHFFFAOYSA-N 471.989 4.024 50 10 JIGE Cc1ncnc(N2CCC[C@@]3(CBr)CCCC[C@@H]23)c1I 2365432537 RRUFSSALLMWYNZ-IUODEOHRSA-N 450.162 4.314 50 10 JIGE Cc1ccccc1[C@@H]1C(C#N)=C(N)NC(SCC(=O)c2ccc(Br)cc2)=C1C#N 8399037 QAUIOTVYNDJFSC-HXUWFJFHSA-N 465.376 4.489 50 10 JIGE Cc1cc(Cl)ccc1OCC(=O)NNC(=O)[C@@H](C)Oc1c(C)cc(Br)cc1C 14643128 RNVUHHXQTISJEC-CQSZACIVSA-N 469.763 4.021 50 10 JIGE COc1ccc(/C=N/NC(=O)/C(=C\c2cccs2)NC(=O)c2ccccc2)cc1Br 20074947 UFRMLWZECHULRT-LXKNQZDASA-N 484.375 4.440 50 10 JIGE CC(=O)N1C(=O)[C@]2(C(C#N)=C(N)OC3=C2C(=O)C[C@@H](c2ccc(C(C)C)cc2)C3)c2ccccc21 22579165 IBKPFXWSEPLUBE-GDJIYFAZSA-N 467.525 4.066 50 10 JIGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cc(OC)ccc2OC)cc1 38659705 SGKQAOZAZRCLPX-DEOSSOPVSA-N 458.470 4.150 50 10 JIGE COC[C@@H](C)NC(=O)c1oc2c(c1C)/C(=N/NC(=O)Cc1coc3cc(C)cc(C)c13)CCC2 40826815 KZTVYHKRYXRKJS-VLKBHEQSSA-N 465.550 4.115 50 10 JIGE O=C(N/N=C1\C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc21)c1cccc(Br)c1 59151693 SWRNIJMXMXMDTB-GFMRDNFCSA-N 479.290 4.038 50 10 JIGE O=C(CCCCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N/N=C/c1cc([N+](=O)[O-])ccc1O 59516455 FIIYXVQXUOIJPK-BRJLIKDPSA-N 483.403 4.350 50 10 JIGE CN1C(=C(C#N)C(=O)CCC(=O)N(C)[C@H](c2ccccc2)c2ccccn2)N(C)c2ccccc21 108865056 XNUQMKFAYWERSK-HHHXNRCGSA-N 465.557 4.300 50 10 JIGE C[C@@H]1CCC[C@](CBr)(NC(=O)c2ccc(I)c(O)c2)C1 235338543 IOKRPAAFCIKWOA-BMIGLBTASA-N 452.130 4.070 50 10 JIGE COc1cc(C=NNC(=O)CSc2nnc(N)s2)ccc1OCc1c(Cl)cccc1Cl 256028389 JEKHJQHJTBIUSA-UHFFFAOYSA-N 498.417 4.257 50 10 JIGE COC[C@@](C)(CBr)N(C)C(=O)c1cc(Br)sc1Br 708398149 NQPIQARQTHGSPJ-LLVKDONJSA-N 464.017 4.145 50 10 JIGE Cc1sc(Br)cc1S(=O)(=O)NC1(CCBr)CCSCC1 719644300 CMKFHDFSBJJUAP-UHFFFAOYSA-N 463.282 4.148 50 10 JIGE Cc1cc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)NCc2cccs2)c(C)n1-c1ccc(F)cc1 729350460 CHNQJXKXNICXMN-DAQNXSASSA-N 451.523 4.450 50 10 JIGE CCOc1cc(C=NNC(=O)CCCSc2nc3ccc([N+](=O)[O-])cc3s2)ccc1O 1084158648 QSZZLCFJYAWMHF-UHFFFAOYSA-N 460.537 4.331 50 10 JIGE Cc1ccc(NC(=O)CN2C(=O)C(=NNC(=O)[C@@H](C)SCc3ccccc3)c3ccccc32)cc1 1084266735 NNUUOKRFOFEHJR-LJQANCHMSA-N 486.597 4.123 50 10 JIGE C#CC[C@@H](CCOC)NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(Br)cc2)c1C 1461930832 BXMMLBSLLXPGGZ-PHJXOXRPSA-N 454.368 4.308 50 10 JIGE C#Cc1cccc(NC(=S)NNC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)c1 1558200146 USQRKORSBHOKIY-UHFFFAOYSA-N 455.465 4.457 50 10 JIGE CCOc1ccccc1NC(=O)COc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1F 1858680771 LTLUJEUFUHXBJR-UHFFFAOYSA-N 470.413 4.156 50 10 JIGE CCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1cc(OC)c(O)c(OC)c1)C(C#N)=C(N)O2 1865714076 CBGXLWPADREUHE-FQEVSTJZSA-N 466.925 4.088 50 10 JIGE CC(C)(C)OC(=O)NC1C[C@@H]2CSC[C@H](C1)C21CC[C@H](CI)O1 1901987067 JPZWXEXZIPQUSN-KCNXFKOVSA-N 453.386 4.006 50 10 JIGE CC[C@@]1(NC(=O)N2CCC(Br)CC2)CCCN(C(=O)OCc2ccccc2)C1 2044176002 PFPUYXNPXTZLAC-OAQYLSRUSA-N 452.393 4.137 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@H]2[C@@H](Br)CC[C@H]2C1 2087937617 QZQHSPZTESMJHK-KDDOJWQBSA-N 498.984 4.299 50 10 JIGE O=C(NCC1(F)CCN(C(=O)OCc2ccccc2)CC1)c1ccc(CBr)cc1 2106295791 LEBNFANTYMCYAC-UHFFFAOYSA-N 463.347 4.452 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N[C@H]2CC[C@@H](Br)C2)cc1Br 2121473739 JPGUZEFQGKUYOR-BDAKNGLRSA-N 476.028 4.114 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CC[C@@H](CCl)C12CC2 2133799115 NPPDJUDSWATYHY-JTQLQIEISA-N 454.533 4.287 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@H]2CC[C@]2(CBr)C1 2142283477 QJTQPTQVKWEDNR-OTYXRUKQSA-N 498.984 4.301 50 10 JIGE Cc1sc(C)c(S(=O)(=O)N(CCBr)CC(F)(F)F)c1Br 2143913985 MTFUWIHHQJZPFG-UHFFFAOYSA-N 459.147 4.075 50 10 JIGE CN(C[C@H](Br)C1CCCC1)C(=O)c1cc(I)ccc1O 2167646899 NJQPMQYMXISKLP-ZDUSSCGKSA-N 452.130 4.023 50 10 JIGE CN(C[C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(CBr)ccc1Cl 2179792303 DTUBXAVASKIDNB-GOSISDBHSA-N 471.848 4.378 50 10 JIGE CC(C)(C)OC(=O)N[C@@H]1CN(CCCCCI)CC[C@H]1C(F)(F)F 2214697749 ROLANAFFNANHPQ-CHWSQXEVSA-N 464.310 4.369 50 10 JIGE O=S(=O)(N[C@H]1CC[C@@H]1CBr)c1c(Cl)cc(Br)cc1Cl 2225384066 FSZSMHAXTVHLRJ-LDWIPMOCSA-N 451.995 4.208 50 10 JIGE Cn1ncc([C@H](Br)c2ccc3c(c2Br)CCO3)c1I 2229747439 OEEYQBLVIIVFGO-GFCCVEGCSA-N 497.956 4.206 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2C[C@H](F)C[C@@H](Br)C2)cc1Br 2234680380 YPSYEBBXFLDAAI-RKDXNWHRSA-N 494.018 4.016 50 10 JIGE COc1cc(C=C(C#N)c2nn(-c3ccccc3)c(N)c2C#N)cc(Br)c1OC 2296400358 WCRURFAJRXGFJN-UHFFFAOYSA-N 450.296 4.170 50 10 JIGE CCCCc1ccc(NC(=O)C(C#N)=Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)cc1 2297388089 DQZFAVSIKJUDID-LJQANCHMSA-N 460.987 4.093 50 10 JIGE COc1ccc(NC(=O)C(C#N)=Cc2cc(Br)c(O)c(Br)c2)c([N+](=O)[O-])c1 2297460547 GIAXWDJFVDFDOC-UHFFFAOYSA-N 497.099 4.380 50 10 JIGE COc1cc(OC)c(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1Br 2313556101 MRXBQPKCXDAAMN-UHFFFAOYSA-N 454.324 4.213 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1C[C@@H]2C[C@@H](CBr)[C@@H]2C1 2340052875 UDPUBYOMGAHQGF-AUTRQRHGSA-N 454.533 4.048 50 10 JIGE Clc1ccc(CN(CCBr)C2CCOCC2)c(I)c1 2353635514 BZBJHFJBYFOJTB-UHFFFAOYSA-N 458.565 4.321 50 10 JIGE CCOc1ccc(CC(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1OCC 12491161 OZDAUAIZKZNHMO-UHFFFAOYSA-N 469.365 4.340 50 10 JIGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)/C=C/c2ccccc2OC)cc1 14025642 VMBPWYUHLIIHOS-DTQAZKPQSA-N 455.580 4.003 50 10 JIGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc([N+](=O)[O-])cc2)c1 38654911 YDBFTZOUMRBFBU-QHCPKHFHSA-N 457.442 4.431 50 10 JIGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccc4c(c3)OCO4)cc2)cc1 58893711 PIDQBWVNHGQNNI-OPJDEBTLSA-N 476.529 4.357 50 10 JIGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(-c3ccc(C(=O)OC)cc3C)o2)cc1 58894645 FKLMVVPMSGVKAB-PXDDYHHSSA-N 464.518 4.404 50 10 JIGE O=C(COc1ccccc1)N/N=C1\C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21 59148623 ZQQIFPPYJAYYHL-QYQHSDTDSA-N 482.309 4.034 50 10 JIGE CC1=NN(c2ccccc2)C(=O)[C@@H]1/C(=N\NC(=O)c1cc(Br)ccc1O)c1ccccc1 105424336 VCIMQEDCLKMQAN-OUJYPELJSA-N 491.345 4.328 50 10 JIGE COc1ccc(Cc2nc3cc(C(=O)N/N=C\c4ccc(N(C)C)cc4)ccc3[nH]2)cc1OC 169925494 ONCFSHUZHYUKKK-YUMHPJSZSA-N 457.534 4.001 50 10 JIGE CCOc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)c(C)c3)c2C)S(C)(=O)=O)cc1 252624882 PXHUESYLCKBCCA-UHFFFAOYSA-N 496.633 4.026 50 10 JIGE CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2cn(C)c3ccccc23)cc1 254702620 WONBFPYKYVUXAM-FAWRTBKGSA-N 465.557 4.166 50 10 JIGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)CNC(=O)c2ccc(C)cc2)cc1 254814298 HGXWANMNVQMILT-UHFFFAOYSA-N 495.535 4.256 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2C[C@H](Br)C[C@H]2C)cc1Br 385212444 DVHVOVQTBKQQDZ-RKDXNWHRSA-N 476.028 4.066 50 10 JIGE Cc1nc(COc2c(Br)cc(CBr)cc2Br)n(C)n1 689352720 JMZYYQRQBRESCH-UHFFFAOYSA-N 453.960 4.122 50 10 JIGE O=S(=O)(c1cc(CCl)sc1Br)N1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 705901298 PBYMLFQCBQQABA-GASCZTMLSA-N 475.861 4.002 50 10 JIGE C[C@H](COc1c(Br)cc(CBr)cc1Br)CS(C)(=O)=O 706188958 YSDJOSLROZRCCP-MRVPVSSYSA-N 479.028 4.166 50 10 JIGE O=C(c1cc(Br)cc(Br)c1)N1CCS[C@@H](CBr)C1 720064345 ONWHAYDECJLWFK-NSHDSACASA-N 458.013 4.164 50 10 JIGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(C)n(-c3ccc(C(=O)O)cc3C)c2C)cc1 725410772 IBQBTVFRPRWFPX-RUZDIDTESA-N 477.561 4.463 50 10 JIGE CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)NNc3ccc(F)c(F)c3F)c2)cc1 727759531 CLFOGICDHMVZRZ-UHFFFAOYSA-N 465.453 4.060 50 10 JIGE COc1cc(C=NNC(=O)c2cn(C)c3ccccc23)c([N+](=O)[O-])cc1OCc1ccccc1 767230617 YICXCTOQKDMRLI-UHFFFAOYSA-N 458.474 4.438 50 10 JIGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)N(C)Cc2ccc(C(C)C)cc2)cc1 920849363 DXMLOMRCFZSPDB-HAHDFKILSA-N 485.588 4.123 50 10 JIGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc(OC(F)(F)F)c(Cl)c2)cc1 1476787222 WHZACMQUUMVQQH-NSHDSACASA-N 459.808 4.061 50 10 JIGE Cc1cc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2Br)CCC3)no1 1772745583 BQFFQESJCLMWFL-UHFFFAOYSA-N 471.311 4.370 50 10 JIGE COc1ccc(-c2ccc(C(=O)NNC(=O)CCCc3ccc(C)cc3C)c(C)n2)cc1OC 1865759356 WHVFNGOKPWUGIW-UHFFFAOYSA-N 461.562 4.475 50 10 JIGE N#C/C(=C(/O)CCCN1C(=O)c2ccccc2C1=O)c1nc(-c2ccc3c(c2)OCO3)cs1 1872752928 ZJRJOKOITOLUIS-ZPHPHTNESA-N 459.483 4.408 50 10 JIGE ClCc1n[nH]c(=Nc2cc(Br)c(I)c(Br)c2)o1 1946445773 QXAGSURDTWICMU-UHFFFAOYSA-N 493.324 4.104 50 10 JIGE COc1sc([C@H](Br)c2cnn(C)c2I)cc1Br 1946720500 JOUNCYZUQOBKKM-MRVPVSSYSA-N 491.974 4.342 50 10 JIGE BrCC[C@H]1CN(c2ncc(I)cc2Br)CCS1 2015763045 SZVWWOWCLMUHIF-VIFPVBQESA-N 492.018 4.156 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CC(F)(F)C[C@H]1CCl 2102803983 MYDWYTJJJGWZCJ-QMMMGPOBSA-N 464.475 4.142 50 10 JIGE O=C(N[C@@H]1C[C@H](CBr)[C@@H]2C[C@@H]12)c1cc(Cl)ccc1I 2110548261 GKEMVELRTCACGJ-ISCDUZKHSA-N 454.533 4.094 50 10 JIGE C[C@H](NS(=O)(=O)c1cc(Cl)c(Br)s1)[C@H]1CCC[C@H]1Br 2111556516 ZKAQIOAXYNNKIS-XLPZGREQSA-N 451.633 4.394 50 10 JIGE C[C@@H](CCCCCI)NC(=O)c1cc(I)ccc1O 2117891907 BMVVSAJVABNNFD-JTQLQIEISA-N 487.119 4.111 50 10 JIGE CC(C)C[C@H](CBr)CNS(=O)(=O)c1cc(Cl)c(Br)s1 2120736038 WMYUDMQKSPIUKG-MRVPVSSYSA-N 453.649 4.500 50 10 JIGE C[C@H]1CN(S(=O)(=O)c2cc(CBr)ccc2Cl)CCN1Cc1ccccc1 2123208808 FUJAVLOGHYKLAZ-HNNXBMFYSA-N 457.821 4.130 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CC[C@H](CBr)C12CC2 2133832830 UEMSVXXDPCNQLE-SECBINFHSA-N 498.984 4.443 50 10 JIGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1C[C@@H]2[C@@H](CBr)[C@@H]2C1 2146869048 SWDJIIKOCVNYAD-PSVAKVPMSA-N 464.006 4.017 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CCC([C@@H](F)CCl)CC1 2163241495 VXBDNHPDYIKOHO-LBPRGKRZSA-N 474.539 4.483 50 10 JIGE O=C(c1cc(I)ccc1F)N1C[C@H](CBr)C2(CCC2)C1 2169666001 RJMXJTYHSVTMRF-JTQLQIEISA-N 452.105 4.068 50 10 JIGE Cc1cc(CBr)ccc1S(=O)(=O)N1CCN(Cc2ccccc2)CC[C@@H]1C 2179790301 BISNFJSEPYNGKE-SFHVURJKSA-N 451.430 4.175 50 10 JIGE Cc1oc(C)c(S(=O)(=O)N(C)[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)c1CBr 2179791024 LTPDNOYAJVICRS-KDOFPFPSSA-N 455.418 4.075 50 10 JIGE CN(Cc1ccccc1)CC1CCN(S(=O)(=O)C2CCC(CBr)CC2)CC1 2179824984 BIIJHZUYFXDCLT-UHFFFAOYSA-N 457.478 4.114 50 10 JIGE Cc1ccc(C(=O)N[C@@H](CBr)CC(F)(F)F)cc1I 2224631484 YXNXDSVAVAPJFC-SECBINFHSA-N 450.036 4.045 50 10 JIGE COc1c(Br)cc(C)cc1[C@@H](Br)c1nn(C)nc1Br 2226972579 PIZIRPBILCCYJB-SECBINFHSA-N 453.960 4.141 50 10 JIGE CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1C[C@H](Br)C1 2242403671 SJCBYYGCRMPOMK-SHTZXODSSA-N 457.368 4.346 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1CCS[C@@H](CCBr)C1 2268350009 RULGZDJOSMPOMI-JTQLQIEISA-N 474.589 4.287 50 10 JIGE O=C(NN=Cc1cccc2ccccc12)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2293571161 KASIQVPMXWNASO-UHFFFAOYSA-N 463.493 4.490 50 10 JIGE C[C@H](Br)COCc1cn(Cc2ccc(Br)cc2Br)nn1 2295789336 QBPAHQWABCMIJM-VIFPVBQESA-N 467.987 4.151 50 10 JIGE CCN(C[C@@](C)(CI)OC[C@@H]1O[C@H]2CC[C@H]1C2)C(=O)OC(C)(C)C 2307488063 NWEREYURPILLLK-YRBFXIGRSA-N 453.361 4.021 50 10 JIGE COc1cc([N+](=O)[O-])ccc1NC(=O)C(C#N)=CN1CCN(C(c2ccccc2)c2ccccc2)CC1 2325216772 NSPFXSWFDXGVND-UHFFFAOYSA-N 497.555 4.357 50 10 JIGE COc1cc(C=C(C#N)S(=O)(=O)c2ccccc2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 2331030471 VCNVLBJPMKQKEW-UHFFFAOYSA-N 464.455 4.161 50 10 JIGE COc1ccc(-c2csc(C(C#N)=C(O)[C@H](C)N3C(=O)c4ccccc4C3=O)n2)cc1OC 2331242225 FLZRFRCBZZRSKM-ZDUSSCGKSA-N 461.499 4.305 50 10 JIGE Cc1ncnc(N2C[C@H](CBr)C[C@H](C(C)(C)C)C2)c1I 2365433617 WLTMTEYZAOZMPP-RYUDHWBXSA-N 452.178 4.273 50 10 JIGE Clc1ccc(I)cc1CN1C[C@@H]2OCCC[C@]2(CBr)C1 2380513615 UXMGRIQNIFVDEC-GJZGRUSLSA-N 470.576 4.321 50 10 JIGE CC[C@@H](C)c1ccccc1O[C@H](C)C(=O)NNC(=O)CCC(=O)Nc1cccc(Cl)c1C 9872171 MEQRRCJPYDAMNZ-NVXWUHKLSA-N 459.974 4.496 50 10 JIGE COc1cccc(/C=N/NC(=O)c2cc(OCC(F)(F)F)ccc2OCC(F)(F)F)c1 13142835 KXQDXRNUBJTRGR-JQAMDZJQSA-N 450.335 4.341 50 10 JIGE CC(=O)N1C(=O)[C@]2(C(C#N)=C(N)OC3=C2C(=O)C[C@H](c2ccc(C(C)C)cc2)C3)c2ccccc21 22579171 IBKPFXWSEPLUBE-VKGTZQKMSA-N 467.525 4.066 50 10 JIGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(NC2CCCCCC2)c1[N+](=O)[O-] 40659560 GEBHVCPNXDMUHL-UHFFFAOYSA-N 469.329 4.348 50 10 JIGE Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)[C@H](C(C)C)n1cnc2cc(F)c(F)cc21 109495698 ZHTWMLPDPCVHRB-IBGZPJMESA-N 469.517 4.405 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CCCC[C@H]1CBr 232474695 LCIWBLLBMSSNDD-JTQLQIEISA-N 486.973 4.443 50 10 JIGE COc1ccc(-c2nnc(SCC(=O)NN=C(C)c3ccco3)n2-c2ccc(C)cc2)cc1 263630591 KWBPLJOZCJKAFN-UHFFFAOYSA-N 461.547 4.477 50 10 JIGE CC(C)[C@H](CBr)CNC(=O)c1cc(Br)ccc1I 394181364 QZATUACIHGLEFW-SECBINFHSA-N 488.989 4.451 50 10 JIGE CCN(CC)Cc1ccc(C(=O)NNC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C4CC4)c23)o1 727730965 BPQWPZHVQLDUHP-UHFFFAOYSA-N 491.523 4.416 50 10 JIGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)CSCc1nc(O)c2c3c(sc2n1)CCC3 746182353 LDQGVXOJKXOSMF-UHFFFAOYSA-N 457.533 4.361 50 10 JIGE Cc1nn(-c2ccccc2)c(N2CCCCC2)c1C=NNC(=O)c1cccc(N2CCCC2=O)c1 1084025691 LENUOOGQKJTCIA-UHFFFAOYSA-N 470.577 4.062 50 10 JIGE O=C(COc1ccc2ccccc2c1)NN=Cc1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c1 1565517562 NVNRXIGGWLLMEN-UHFFFAOYSA-N 469.453 4.496 50 10 JIGE C=CCn1c(S)nc2cc(C(=O)N3CCC[C@@H](O[Si](C)(C)C(C)(C)C)C3)ccc2c1=O 1611429284 HQOSJCPOLADMBK-QGZVFWFLSA-N 459.688 4.498 50 10 JIGE COc1ccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4ccc(OC)cc4OC)c(C)c32)cc1 1772745680 HKSIQNZCSNEGFR-UHFFFAOYSA-N 477.517 4.337 50 10 JIGE COC(=O)c1cccc(C(=O)NNC(=O)c2ccc(-c3ccc(Cl)cc3Cl)nc2C)c1 1865759492 CQILACNXJVKWOY-UHFFFAOYSA-N 458.301 4.225 50 10 JIGE Cn1nc(-c2ccccc2F)c(C#N)c1NC(=O)/C(C#N)=C/c1ccc(Br)cc1 1866129310 NDCPVHJTYJBRPA-GXDHUFHOSA-N 450.271 4.406 50 10 JIGE CCN(CC)CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cccc(Br)c2)cc1 1866130752 JQPHPJSZHKUGBX-XMHGGMMESA-N 470.367 4.493 50 10 JIGE CN(CCN(Cc1ccccc1)S(=O)(=O)[C@H]1C[C@H](CBr)C1)Cc1ccccc1 1885378426 NPUVQHCEEBQAKC-HZCBDIJESA-N 465.457 4.124 50 10 JIGE Cc1c(Br)cc(CCl)cc1S(=O)(=O)N(Cc1ccccc1)[C@@H]1CCOC1 1915470124 HJOMGZVXSOQCKL-QGZVFWFLSA-N 458.805 4.476 50 10 JIGE C[C@@H]1C[C@H]1N(CCBr)S(=O)(=O)c1cc(Br)ccc1Br 2110789304 JTJQCVCFQPKBRL-LDYMZIIASA-N 476.028 4.006 50 10 JIGE O=S(=O)(N[C@@H](CBr)c1cscn1)c1cc(Cl)c(Br)s1 2119048264 RNOFIYNHJFXYNJ-LURJTMIESA-N 466.629 4.035 50 10 JIGE O=C(NC[C@]1(F)CC[C@H](CBr)CC1)c1sccc1I 2122082962 NYQPGMCVAQOXPE-GMZHKTEUSA-N 460.150 4.376 50 10 JIGE O=S(=O)(c1cc(CBr)sc1Br)N1CCc2sccc2C1 2179776517 VHUSTHFFFPNWDJ-UHFFFAOYSA-N 457.234 4.214 50 10 JIGE CN([C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)S(=O)(=O)c1ccc(CBr)s1 2179810627 CSPYBOGFWJTSMZ-PIIMJCKOSA-N 469.470 4.459 50 10 JIGE O=S(=O)(c1ccsc1CBr)N1CCC[C@]2(CCN(Cc3ccccc3)C2)C1 2179867725 AARAYPYUYYCQPM-HXUWFJFHSA-N 469.470 4.320 50 10 JIGE COc1cc(CBr)c([N+](=O)[O-])cc1OC[C@@H]1CC1(Br)Br 2233041742 USZBOTJAKZHEML-QMMMGPOBSA-N 473.943 4.383 50 10 JIGE O=S1(=O)CCC[C@H]([C@@H](Br)c2sc(Cl)cc2I)C1 2300998694 UWBSVFZXZRXDCK-IMTBSYHQSA-N 469.591 4.267 50 10 JIGE COc1ccc(OC)c(C=CC(=O)N2CCC(C(=O)Nc3ccc(SC#N)cc3)CC2)c1 2318784493 LREYIWKFSRSZEY-UHFFFAOYSA-N 451.548 4.167 50 10 JIGE O=C(c1cc(Br)cc(Br)c1)N1C[C@H]2C[C@H](CBr)[C@H]2C1 2330496152 CSRPRZHPCFJMAC-GIPNMCIBSA-N 451.984 4.315 50 10 JIGE CC(C)n1ncc(Br)c1CNCC(F)(F)C(F)(F)CI 2368045306 VBZVLLBRDCFBNS-UHFFFAOYSA-N 472.062 4.022 50 10 JIGE Clc1ccc(CN2CC3(CCOCC3)[C@H]2CBr)cc1I 2381057403 ZEOADHQZFQBTGV-CQSZACIVSA-N 470.576 4.321 50 10 JIGE COc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2cccc(Br)c2)cc1OC 3085679 QWQJWQAOKQVBTN-AFUMVMLFSA-N 482.334 4.483 50 10 JIGE COc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(OC(=O)c4ccco4)cc2)C(C#N)=C(N)O3)cc1 8567379 IFYMNBIZIJDNCJ-FQEVSTJZSA-N 454.442 4.116 50 10 JIGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(=S)NNC(=O)c1ccc(Cl)cc1Cl 12570001 IDONAOPKEVQUPK-MRVPVSSYSA-N 481.188 4.403 50 10 JIGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2)cc1 14029096 KFJRCQBNZUERPN-UHFFFAOYSA-N 463.987 4.014 50 10 JIGE Cc1cc(C)cc(OCC(=O)NNC(=O)c2ccc(OCCC(C)C)c(Br)c2)c1 14645590 XFLKPAYHBLSKIE-UHFFFAOYSA-N 463.372 4.331 50 10 JIGE Cc1ccc(NC(=O)CCC(=O)NNC(=O)c2ccc(OCC(C)C)c(Br)c2)cc1C 14653018 WZHASVCAJKXXJQ-UHFFFAOYSA-N 490.398 4.281 50 10 JIGE Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=O)c2ccc(OC(C)C)c(Br)c2)c1 14658812 VTTAAUDIJZNYAP-UHFFFAOYSA-N 476.371 4.033 50 10 JIGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3[N+](=O)[O-])ccc2[C@@H]1c1ccc(Cl)cc1 38651312 NCRHQZIBCZHMCU-QHCPKHFHSA-N 477.860 4.451 50 10 JIGE CCOC(=O)c1ccc(Nc2ncnc(NNC(=O)C(c3ccccc3)c3ccccc3)c2N)cc1 40761871 FCILUYBECONJDU-UHFFFAOYSA-N 482.544 4.254 50 10 JIGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)CCc2ccc(OCC)c(OC)c2)c(OC)c1 41000123 OCPWNYPPVOOONW-CPNJWEJPSA-N 453.491 4.111 50 10 JIGE COc1ccc(/C(CSc2nc3ccccc3[nH]2)=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc1 59460579 SUYKHAHEKCUZFT-QLYXXIJNSA-N 461.503 4.406 50 10 JIGE COc1cccc(COc2ccc(OC)cc2C=NNC(=O)COc2ccc(Cl)cc2)c1 252599986 DNXMVVFXNUTMEI-UHFFFAOYSA-N 454.910 4.465 50 10 JIGE Cc1ccccc1C(=O)Oc1ccc(C=NNC(=O)CSc2nnc(C)n2-c2ccccc2)cc1 254397349 FHAODZINSWPTTP-UHFFFAOYSA-N 485.569 4.346 50 10 JIGE Nc1cccc(F)c1[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CI 382720196 MWIBOWBRWFPBBV-GJZGRUSLSA-N 454.283 4.195 50 10 JIGE C[C@@H]1[C@H](Br)C[C@H]2CC[C@H]1N2C(=O)c1ccc(F)cc1I 686181096 YKOFFKOKAHMGBM-ZJIMWXPPSA-N 452.105 4.207 50 10 JIGE N#CCCn1cc(/C=C(/C#N)C(=O)NCc2noc(-c3cccs3)n2)c(-c2ccc(Cl)cc2)n1 745060702 AWTPVQVOFDVSPJ-WJDWOHSUSA-N 489.948 4.452 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 1255228656 RVYXGQIXHNGNKH-OSYLJGHBSA-N 461.694 4.413 50 10 JIGE CCCCC1CCC(C(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)CC1 1860771667 CTXDLDTTZDJRRE-VEZWFGLTSA-N 472.655 4.288 50 10 JIGE CN(CC1CC(Br)C1)[C@@H](CN)c1c(Br)cccc1Br 1887900331 CKCYRFBRBRAADP-ZPPKWKGLSA-N 455.032 4.317 50 10 JIGE O=C(NCCSCCBr)c1cc(Br)sc1Br 1899592118 HFIHPFOYSCRVTQ-UHFFFAOYSA-N 452.031 4.131 50 10 JIGE CC(C)(C)N(CCBr)c1ncc(I)cc1Br 1988532843 MMPLOTYRXFQQIU-UHFFFAOYSA-N 461.967 4.449 50 10 JIGE O=C(c1csc(Br)c1Br)N1CCC(I)CC1 1992345683 USAACZNWGMFAKX-UHFFFAOYSA-N 478.975 4.313 50 10 JIGE CCc1cc(I)c(C(=O)CBr)c(I)c1 2060146992 ZFTYXOZPGTYVJA-UHFFFAOYSA-N 478.893 4.036 50 10 JIGE CC(C)[S@](=O)(=NC[C@@H](Br)C(F)(F)F)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2063273278 KWXIHXZKMIIICK-KARRYYGYSA-N 451.349 4.198 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@](CI)(O[C@@H]2CCOC3(CCC3)C2)C1 2076742600 YTCNSPKQNFVAJM-DNVCBOLYSA-N 465.372 4.309 50 10 JIGE O=C(c1csc(Br)c1Br)N1[C@H](CBr)C[C@H]2OCC[C@H]21 2093947743 FGIREAMHAIRSAD-NBEYISGCSA-N 474.012 4.040 50 10 JIGE O=C(N[C@@H]1CC[C@@H]2C[C@@]21CBr)c1cc(Br)ccc1I 2132115721 LWCTWJLLFYOBFJ-IHPUGEDLSA-N 498.984 4.347 50 10 JIGE O=C(N[C@@]12CC[C@@](CBr)(C1)OC2)c1scc(Br)c1Br 2133666646 SJLASVBBOPDWNK-RYUDHWBXSA-N 474.012 4.090 50 10 JIGE C[C@@H]1CN(S(=O)(=O)c2ccc(CCl)c(Br)c2)[C@H](C)CN1Cc1ccccc1 2152184588 MHJXUKVOGXSHIA-HZPDHXFCSA-N 471.848 4.471 50 10 JIGE ClCc1nc2c(Br)cccc2n1CCn1cc(I)cn1 2153503131 YGXZUQQQVBTTMT-UHFFFAOYSA-N 465.520 4.039 50 10 JIGE O=C(c1cc(I)ccc1F)N1CC[C@@H]2C[C@H](Br)CC[C@H]21 2169665308 XNUCIYBSWYZWMC-GPCCPHFNSA-N 452.105 4.208 50 10 JIGE CC(C)N(CC(F)(F)F)S(=O)(=O)c1cc(CBr)sc1Br 2179791417 QSJMMRMOACOOIZ-UHFFFAOYSA-N 459.147 4.367 50 10 JIGE C[C@]1(C2CC2)CN(S(=O)(=O)c2cc(CBr)cs2)CCN1Cc1ccccc1 2179823188 GPYYGDSJHPHLJM-HXUWFJFHSA-N 469.470 4.318 50 10 JIGE ClCc1nc2cc(I)ccc2n1CCc1cc(Br)no1 2237170307 KJTMHXXQVPYLLE-UHFFFAOYSA-N 466.504 4.373 50 10 JIGE C[C@H](CBr)[C@@H]1CCCCN1C(=O)c1c(F)cccc1I 2282793244 YTEDHVZFJGGHIR-MFKMUULPSA-N 454.121 4.456 50 10 JIGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2Cl)C(=O)NN=Cc2cccn2C)cc1 2293320700 YFCTWXLJOFZPST-UHFFFAOYSA-N 477.996 4.446 50 10 JIGE COC(=O)c1ccc(C(=O)OC)c(NC=C(C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)c1 2295945714 XLADOIXSIURSIL-UHFFFAOYSA-N 479.514 4.377 50 10 JIGE CCCCOc1ccc(C=C2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1OC 2314617208 SWZJURGLYZDTHE-UHFFFAOYSA-N 474.513 4.395 50 10 JIGE COc1cc(C=C2C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1Cl 2314620581 RJPNKUHFHUNNES-UHFFFAOYSA-N 494.931 4.083 50 10 JIGE COc1ccc2c(c1)c(C=NNC(=O)Cn1cnc3scc(-c4ccc(C)cc4)c3c1=O)cn2C 2325904663 UMXNHILWPBEJKB-UHFFFAOYSA-N 485.569 4.084 50 10 JIGE CC(C)(CI)CN1CCCC[C@H]1[C@@H]1CCCN(C(=O)C(F)(F)F)C1 2326677098 RXECBWVKCSTPGM-KGLIPLIRSA-N 460.322 4.103 50 10 JIGE O=C(c1cc(I)ccc1Br)N1[C@H]2CC[C@@H]1[C@H](CBr)C2 2329071803 SMKHMBCOZUJWEC-GMOODISLSA-N 498.984 4.442 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1C[C@@H](Br)CCC12CC2 2340059426 VGCSDNGUMUSIPV-VIFPVBQESA-N 454.533 4.477 50 10 JIGE Cc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c1 12500783 PXBUOCKVWZIGOJ-UHFFFAOYSA-N 488.613 4.494 50 10 JIGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)c2ccccc2OCCOc2ccccc2)c1 14040588 XKQPXIZUOPQKHW-UHFFFAOYSA-N 462.546 4.416 50 10 JIGE Cc1cc(OCC(=O)NNC(=O)[C@H](C)Oc2c(C)cc(Br)cc2C)cc(C)c1Cl 14642963 BVXDAEWVGYMEPP-HNNXBMFYSA-N 483.790 4.330 50 10 JIGE O=C(Cn1ccc2ccccc21)NNC(=O)c1ccc(OCCc2ccccc2)c(Br)c1 14776367 QIWXTOHZJASLSC-UHFFFAOYSA-N 492.373 4.487 50 10 JIGE Cc1ccc(S(=O)(=O)/C(C#N)=C\c2c(N3CCCCCC3)nc3c(C)cccn3c2=O)cc1 33531226 OZOYFRHSCJMOIU-PGMHBOJBSA-N 462.575 4.030 50 10 JIGE CCN(CC)C1=CC(=O)/C(=C/NNC(=O)CSc2nc3ccccc3n2Cc2ccccc2)C=C1 33837808 SYDURGXZGNFLDO-HEHNFIMWSA-N 487.629 4.046 50 10 JIGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)cc1 38650357 XLIJHUVFTMELDY-OWJWWREXSA-N 460.461 4.425 50 10 JIGE COc1ccc2cc3c(nc2c1)N(c1ccc(C(=O)NNC(=O)c2ccc(C)cc2)cc1)CC3 39881709 ZZWFLJPIDXEXJF-UHFFFAOYSA-N 452.514 4.321 50 10 JIGE O=C(NNc1ncnc(Nc2ccc(Cl)cc2)c1[N+](=O)[O-])c1ccc(Cl)c([N+](=O)[O-])c1 40649077 SDVWPWAZXJFQFL-UHFFFAOYSA-N 464.225 4.100 50 10 JIGE COc1cc(/C=N/NC(=O)c2cc(Br)ccc2O)ccc1OCc1ccc(C(=O)O)cc1 59158980 GSABVIOTXSQOSR-BRJLIKDPSA-N 499.317 4.204 50 10 JIGE O=C1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c2ccccc2N1Cc1ccccc1F 103741950 XEEHEZIAUNHEIU-CCVNUDIWSA-N 465.300 4.026 50 10 JIGE COc1ccc([C@H](C)NC(=O)/C(C#N)=C\Nc2ccc(I)cc2)cc1OC 217174625 XRLUJJITZYZSGD-FRRXJZEGSA-N 477.302 4.005 50 10 JIGE CC(C)(C)OC(=O)N1C[C@H](I)[C@H](OCc2cccc(Br)c2)C1 231319517 WVGYUCQLTOVTRD-UONOGXRCSA-N 482.156 4.389 50 10 JIGE O=S(=O)(N[C@H]1CCCC[C@H]1CBr)c1cc(Br)ccc1Br 231622104 WJJSWVYSSOHFPH-CABZTGNLSA-N 490.055 4.444 50 10 JIGE CCCCOc1ccc(C=NNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1 252604347 FYYNBOJUWQSWFV-UHFFFAOYSA-N 472.394 4.089 50 10 JIGE CCOc1cc([C@@H]2c3sc(=S)[nH]c3S[C@@H]3[C@H]4C[C@@H]([C@@H]5C(=O)OC(=O)[C@H]54)[C@H]23)ccc1O 256027005 RYZGPIBTQOPVRB-BGBUHXQWSA-N 461.586 4.098 50 10 JIGE O=S(=O)(c1ccc(CCl)cc1Br)N1CC[C@H](COCc2ccccc2)C1 383835756 LAAKYSKSOGDFOW-KRWDZBQOSA-N 458.805 4.415 50 10 JIGE COc1ccc(Br)cc1C=NNC(=O)CCCSc1nc2ccccc2n1C 1084369835 ZJOLGIJXHKJLPR-UHFFFAOYSA-N 461.385 4.367 50 10 JIGE N#CCC(=O)NN=Cc1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)o1 1084462742 PNBLPRLWDHTGJW-UHFFFAOYSA-N 487.522 4.205 50 10 JIGE CCc1cccc2c(/C=C(/C#N)C(=O)NCc3ccc4c(c3)OCO4)cn(CC(=O)N3CCCCC3)c12 1084498482 YTNBAKWIFXDXRM-HMAPJEAMSA-N 498.583 4.168 50 10 JIGE C=CCOc1ccc(/C=C\C(=O)NNC(=O)COc2ccccc2-c2ccccc2)cc1OC 1628573839 HDZKTXUOMZVEQQ-PEZBUJJGSA-N 458.514 4.167 50 10 JIGE Cc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)NNC(=O)c3cccc(Cl)c3)c(C)c21 1772743468 BWKRTQPDNYIDKE-UHFFFAOYSA-N 478.936 4.095 50 10 JIGE Cc1sc2ncn(CC(=O)N/N=C/c3cccc(OC(C)C)c3)c(=O)c2c1-c1ccccc1 1860772880 KPODIZLSMYURTK-UVHMKAGCSA-N 460.559 4.371 50 10 JIGE Cc1nn(Cc2cccc(F)c2)c2c1[C@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865702231 QCIRTSPREWIMPO-LJQANCHMSA-N 457.278 4.499 50 10 JIGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@H](c2ccccc2C(=O)O)C(C#N)=C(N)O3)cc1 1865704470 WTHLHINIERMIBD-HSZRJFAPSA-N 494.507 4.473 50 10 JIGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)cc1OC 1865707232 RKWYUWUZBFOTLV-GOSISDBHSA-N 474.414 4.325 50 10 JIGE CN(Cc1cnn(Cc2ccccc2)c1)S(=O)(=O)c1cc(CCl)ccc1Br 1915032610 KMXXKNPCOCGATO-UHFFFAOYSA-N 468.804 4.253 50 10 JIGE O=C(N[C@H](CCBr)C(F)F)c1ccc(Br)cc1I 2086147747 RCBLCCHHQVVVHH-SECBINFHSA-N 496.915 4.202 50 10 JIGE CN(C)CCN(Cc1ccccc1)S(=O)(=O)c1cc(F)c(Cl)c(CBr)c1 2123268172 KNNNOTOPHGNPLI-UHFFFAOYSA-N 463.800 4.127 50 10 JIGE CC[C@H]1CN(C(=O)c2ccc(Br)cc2I)C[C@H]1CCl 2142281772 UTHSGZSICBHMCX-VHSXEESVSA-N 456.549 4.391 50 10 JIGE O=C(N[C@@H]1C[C@H](CCl)[C@@H]2C[C@H]12)c1ccc(Br)cc1I 2142285708 SXVYBBRSIGBBBJ-XKYKYCOXSA-N 454.533 4.047 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2C[C@H](Br)C3(CC3)C2)cc1Br 2149756364 FMQMJNMJLJNBHZ-LBPRGKRZSA-N 488.039 4.068 50 10 JIGE CC(C)(C)[C@@H]1C[C@@H](CBr)CN(S(=O)(=O)C2CC(OCc3ccccc3)C2)C1 2164997707 DAAOFIRSIBONNT-WBYGSUFKSA-N 458.462 4.443 50 10 JIGE Clc1ccc(I)c(CN2C[C@H](CBr)OC3(CCC3)C2)c1 2165765566 IDCGILGGWAHEKA-ZDUSSCGKSA-N 470.576 4.463 50 10 JIGE CC(C)(C)OC(=O)N(CC(F)F)[C@H]1CCCN(C(=O)[C@@H](Br)C2CCCC2)C1 2167032889 LFAKXTSVUIXOOS-HOCLYGCPSA-N 453.368 4.433 50 10 JIGE FC(F)([C@H]1CCOC1)[C@H](Br)c1cc(I)cc2c1OCC2 2185253279 FGRNURHNWHGPCZ-TVQRCGJNSA-N 459.068 4.334 50 10 JIGE C[C@@H](Br)[C@H](NS(=O)(=O)c1ccc(Br)cc1Cl)C(F)(F)F 2195319857 MPMYVRLXLKHQPV-ANLVUFKYSA-N 459.509 4.095 50 10 JIGE Cc1ccc(C(=O)N2CC(F)(F)C[C@]2(C)CBr)cc1I 2232824538 ATVXZGFXFOXGOD-CYBMUJFWSA-N 458.084 4.234 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@@H]2C[C@H](C[C@H]2Br)C1 2295308786 AQXVLJYLBPGZKD-UHIISALHSA-N 466.011 4.386 50 10 JIGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)cc1 2314618418 NGDGONFARPAQFF-XMMPIXPASA-N 494.551 4.319 50 10 JIGE COc1ccc(NC=C(C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 2324598898 ARQIVDFOBXZVEA-UHFFFAOYSA-N 452.558 4.448 50 10 JIGE COc1cc(C)c(-c2csc(C(C#N)=C(O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)cc1C 2331403985 XVNMGUOVZJQLPC-UHFFFAOYSA-N 490.497 4.433 50 10 JIGE CC(C)(C)OC(=O)N1CCC(CI)(OCc2ccc3nccn3c2)CC1 2343672562 ZJOZUMYZBZIBPG-UHFFFAOYSA-N 471.339 4.056 50 10 JIGE C[C@H](Cl)C[C@H]1COCCN1Cc1ccc(I)c(Br)c1 2349856138 NLOOXEZXSFHXCP-JQWIXIFHSA-N 458.565 4.272 50 10 JIGE Cc1ncc([N+](=O)[O-])n1CC(=O)N/N=C/c1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1 4113024 ZDCXDYOINDKKMZ-GEVRCRHISA-N 456.673 4.470 50 10 JIGE CCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2cc(C)ccc2C(C)C)cc1 14029774 IJECXGXYOGOLHB-UHFFFAOYSA-N 471.623 4.402 50 10 JIGE Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=O)[C@@H](C)Oc2c(C)cc(Br)cc2C)c1 14643140 CQDSCFIVKHUBIN-QGZVFWFLSA-N 490.398 4.016 50 10 JIGE Cc1cccc(C(=O)NNC(=O)c2cc(Br)ccc2OCCc2ccccc2)c1 14665509 YBZXBIYQKCVKCT-UHFFFAOYSA-N 453.336 4.454 50 10 JIGE N#CC(C#N)=CNc1ccc(S(=O)(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 20423856 IEQJTVUSNYLZJA-UHFFFAOYSA-N 483.597 4.125 50 10 JIGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4OC)ccc32)cc1 38676939 FBOIXMGWJMTBGX-SANMLTNESA-N 456.498 4.460 50 10 JIGE O=C(NNc1ncnc(Nc2ccccc2Br)c1[N+](=O)[O-])c1cccc(Cl)c1 40648276 ADXKXWMFWFTFNM-UHFFFAOYSA-N 463.679 4.301 50 10 JIGE O=C(NNc1ncnc(Nc2ccc(Cl)c(C(F)(F)F)c2)c1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 40658436 UVWWBDJEUYSGAS-UHFFFAOYSA-N 497.777 4.466 50 10 JIGE Nc1c(NNC(=O)COc2ccc(Cl)cc2Cl)ncnc1Oc1cccc2cccnc12 40752186 JDHGIVLQFHKELO-UHFFFAOYSA-N 471.304 4.228 50 10 JIGE O=C(O)c1ccc(COc2ccccc2/C=N/NC(=O)c2cc(Br)ccc2O)cc1 59148798 ABFKJTHZLFCHBE-WYMPLXKRSA-N 469.291 4.196 50 10 JIGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCC(=O)OC 59335629 LRTJNOLNHDUZBS-SXGWCWSVSA-N 473.323 4.254 50 10 JIGE C[C@@H]1CCc2c(sc(NC(=O)/C(C#N)=C\c3cccn3-c3ccc([N+](=O)[O-])cc3)c2C(N)=O)C1 102957805 GMTHXROMKQUXNN-QAALXFNPSA-N 475.530 4.216 50 10 JIGE O=C(Nc1ccc(N2CCCC2)c(S(=O)(=O)N[C@@H]2CCCc3ccccc32)c1)C(Cl)Cl 103163867 CELARILEJRRCMB-GOSISDBHSA-N 482.433 4.385 50 10 JIGE O=C(N[C@H]1CCCC[C@@H]1Br)c1cc(Br)ccc1I 232459315 ZGWKAPZPFZCMOI-JQWIXIFHSA-N 486.973 4.490 50 10 JIGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NN=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)cc1 254825665 MUTVRIGVUOUWMH-UHFFFAOYSA-N 472.498 4.452 50 10 JIGE Cc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2cccc3ccccc23)cc1 254867638 CVFRSXYNCGSJAE-UHFFFAOYSA-N 450.498 4.489 50 10 JIGE FC(F)(F)Oc1nc(Br)cc(CBr)c1I 396183842 SEYWVOBPZUEDAA-UHFFFAOYSA-N 460.813 4.242 50 10 JIGE CO[C@@]1(CBr)CCCN(Cc2cc(Cl)ccc2I)C1 405305256 PUUJKATZBJWFQX-CQSZACIVSA-N 458.565 4.321 50 10 JIGE O=C(CBr)c1c(OC(F)F)ccc(I)c1Br 575682423 PTUOBMQGIMBOQC-UHFFFAOYSA-N 469.845 4.233 50 10 JIGE Cc1ccccc1N[C@H](C)C(=O)NN=Cc1cc(Br)c(O)c(Br)c1 725274360 ZOOOYYBOGMBZDX-LLVKDONJSA-N 455.150 4.176 50 10 JIGE COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C(=O)OC)c2ccc(Br)cc2)c1C 748638417 IFHSRVYZJUBZRO-NZFJYXQSSA-N 488.382 4.012 50 10 JIGE Cc1cc(NCC(=O)NN=Cc2c(O)ccc3ccccc23)ccc1I 1084411889 HKFDCGHJACKKBD-UHFFFAOYSA-N 459.287 4.021 50 10 JIGE Cc1ccn2c(C(=O)NN=Cc3ccc(OCC(=O)Nc4cccc(Cl)c4)cc3)c(C)nc2c1 1084421109 CBFBVQNAKJLUFX-UHFFFAOYSA-N 475.936 4.386 50 10 JIGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(C)n(-c3ccc(OC(C)=O)cc3)c2C)cc1 1084458194 ZRNGEAIMXXIUOJ-AREMUKBSSA-N 477.561 4.382 50 10 JIGE Cc1ccc2c(c1)C(=NNC(=O)CCCCCNC(=O)c1ccccc1)C(=O)N2CCC(C)C 1772720361 KWGMULYLLFLAOC-UHFFFAOYSA-N 462.594 4.198 50 10 JIGE Cc1c(C(=O)NC2CCCC2)oc2c1C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772748683 SPHFDMVQBDRYOF-UHFFFAOYSA-N 458.902 4.292 50 10 JIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2Cl)cc(OC)c1O 1865714869 RZZZLLGMOURIQG-MRXNPFEDSA-N 492.841 4.485 50 10 JIGE CSCC[C@@H](NC(=O)[C@@H]1CCCN1Cc1ccccc1F)C(=O)Nc1ccc(SC#N)cc1 1866921062 XATLQKWRXXJXQJ-YADHBBJMSA-N 486.638 4.240 50 10 JIGE CC[C@H](NC(=O)CCN(Cc1ccncc1)C(=O)OC(C)(C)C)C(=O)Nc1ccc(SC#N)cc1 1867088258 VZNCKSUJWCNISR-NRFANRHFSA-N 497.621 4.315 50 10 JIGE C/C(=N/NC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1ccc(-n2cccc2)cc1 2059028223 CFMLNDVRVMDXRG-ULJHMMPZSA-N 464.572 4.494 50 10 JIGE BrC[C@@H]1CO[C@H]2CN(Cc3cc(Br)ccc3Br)C[C@@H]12 2121585885 AYWNWAOCRVAODP-OSMZGAPFSA-N 454.000 4.053 50 10 JIGE C[C@H]1CN(Cc2ccccc2)[C@H](C)CN1S(=O)(=O)c1cc(CCl)ccc1Br 2152184895 QANLAXNFVHUROG-CVEARBPZSA-N 471.848 4.471 50 10 JIGE O=C(NC[C@H]1CCC[C@H](CBr)C1)c1cc(I)ccc1F 2169665229 VCXSBCZHNPZKQS-QWRGUYRKSA-N 454.121 4.361 50 10 JIGE O=C(c1cccc(I)c1)N1C[C@]2(F)CCC[C@@]2(CBr)C1 2176629573 DSFZLXFSHLNNGM-HUUCEWRRSA-N 452.105 4.021 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@@H]2[C@H](CBr)C[C@H]2C1 2295311289 IWKPZUPUOZLXPD-COPLHBTASA-N 466.011 4.244 50 10 JIGE CCc1ccc(C=C2SC(=S)N(CCCC(=O)NNC(=O)c3ccccc3Cl)C2=O)cc1 2295914070 IWLQEUWUOOMKTI-UHFFFAOYSA-N 488.034 4.345 50 10 JIGE O=C(N[C@H]1C[C@H](CBr)[C@H]2C[C@@H]12)c1cc(Br)sc1Br 2309226513 XRPBXKPBHAJKON-PULFBKJNSA-N 458.013 4.422 50 10 JIGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(CCC)cc2)c(OC)c1 2314777905 ZYLJNCSKBQOWML-UHFFFAOYSA-N 450.535 4.455 50 10 JIGE COc1cccc(C=NNC(=O)COc2ccc3c(C)cc(=O)oc3c2)c1OCc1ccccc1F 2328804142 WPFFKHMVIWMGPN-UHFFFAOYSA-N 490.487 4.357 50 10 JIGE O=C(N[C@H]1C[C@@H]2C[C@H]1C[C@H]2Cl)c1cc(Br)ccc1I 2330913460 GWADOIUQLUODIK-RKXYQDBHSA-N 454.533 4.189 50 10 JIGE CCOc1cc(C(=O)NNC(=S)Nc2ccc(Cl)cc2C)cc(OCC)c1OCC 2783802 XWDJONPLZVBTHN-UHFFFAOYSA-N 451.976 4.476 50 10 JIGE COc1ccc(O[C@H](C)C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 14006403 IIVDHNLPBDGEJR-GOSISDBHSA-N 489.572 4.474 50 10 JIGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=S)NC(=O)c2ccccc2OCCC(C)C)c1 14034455 HNFGJQQIOBJIDB-UHFFFAOYSA-N 471.623 4.258 50 10 JIGE C[C@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc([N+](=O)[O-])c1 38653925 PQQSSFXLIMDTCR-PSLXWICFSA-N 475.432 4.325 50 10 JIGE COC(=O)/C(C#N)=C/c1cccc(OC(=O)COc2ccc(Br)cc2Br)c1 40929476 PPRLIRNVSZCNGU-NTUHNPAUSA-N 495.123 4.276 50 10 JIGE CC(C)=C(CI)NC[C@@H](O)COc1cccc2[nH]c3ccccc3c12 100434071 UVHUKXLPEXSEHA-CQSZACIVSA-N 450.320 4.379 50 10 JIGE COc1ccc([C@@H](C2=C(O)OC(C)(C)OC2=O)/C(C#N)=C(/N)SCc2ccccc2)cc1 102413922 KNLPXHZMYVSZQX-SRIJWZPRSA-N 452.532 4.485 50 10 JIGE Cn1c(SCC(=O)N/N=C\c2ccc(OC(=O)c3cccs3)cc2)nc2ccccc21 169876422 RDPYKBRSVYLHQZ-QRVIBDJDSA-N 450.545 4.096 50 10 JIGE COC(=O)c1ccc(C(=O)OC)c(N/C=C(/C#N)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 217249943 CCEFAZLVSCWASV-BENRWUELSA-N 481.814 4.390 50 10 JIGE CCOc1ccc(NC(=O)C(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccccc2)cc1 254307672 MVABVGAETVYQJH-UHFFFAOYSA-N 453.502 4.027 50 10 JIGE COc1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)cc1 382686498 FQKZWTVATUAMGP-MJGOQNOKSA-N 451.304 4.482 50 10 JIGE CN(CC1CC(Br)C1)C(=O)c1ccc(I)c(Br)c1 721613225 KMAVCFDSUKWXQS-UHFFFAOYSA-N 486.973 4.299 50 10 JIGE O=C(NNC(=O)C1CCN(c2nc3ccccc3s2)CC1)c1cc2c(s1)CCCCC2 727365748 ANCBIERRFAYJAG-UHFFFAOYSA-N 454.621 4.304 50 10 JIGE COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)c1C 853647638 BWTAIRAFXXZNAX-LBFOSSIKSA-N 480.590 4.212 50 10 JIGE Cc1cccc(C)c1NC(=O)CN(C)C(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1 914461631 BJQIIVIWNCPQDO-JCMHNJIXSA-N 466.545 4.085 50 10 JIGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OC)c(OCC)c2)cc1 1084102527 ORIFLOHMWSMZST-LJQANCHMSA-N 479.371 4.219 50 10 JIGE CC(/C=C\c1ccccc1)=NNC(=O)CCCSc1nnc(-c2ccc(Br)cc2)n1N 1084332913 IVLGLTJPTNNUQS-XLKKCXLWSA-N 499.438 4.499 50 10 JIGE COc1ccc(C=NNC(=O)CCCNc2ccc(Br)cc2)cc1OCn1cccn1 1084502051 MKPULZRXPPBUKF-UHFFFAOYSA-N 486.370 4.033 50 10 JIGE COc1ccc2oc(C(=O)NNC(=O)c3cc(-c4ccccn4)nc4ccccc34)c(C)c2c1 1087367681 JBOCXHKASIZRSP-UHFFFAOYSA-N 452.470 4.435 50 10 JIGE CCCCCN1C(=O)C(=NNC(=O)CCCCCNC(=O)c2ccccc2)c2cc(C)ccc21 1772720623 QCUBSEYPWHGKRT-UHFFFAOYSA-N 462.594 4.343 50 10 JIGE COc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc([N+](=O)[O-])cc2)CCC3)c(OC)c1 1772744784 JPSQLTWJAOZNDU-UHFFFAOYSA-N 492.488 4.236 50 10 JIGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@H](c2cccn2C)C(C#N)=C(N)O3)cc1 1865699655 ZEJHABNCENGJIS-QFIPXVFZSA-N 455.493 4.303 50 10 JIGE CC(C)[C@@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1cncc(Br)c1 1915296221 RODCEGZGNJBBOU-QGZVFWFLSA-N 476.234 4.455 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CC[C@](F)(CBr)C1 1917141704 VGVCAAWHEHQAKI-LBPRGKRZSA-N 490.936 4.003 50 10 JIGE C[C@]1(CCBr)CCN(c2ncc(I)cc2Br)C1 2015765886 HSDQMAOPJQZJKG-LBPRGKRZSA-N 473.978 4.450 50 10 JIGE O=C(c1cc(Br)c(Br)s1)N1CC[C@@H]2[C@H](CBr)[C@@H]2C1 2032221735 AJYFVVMLGGBTGV-GJMOJQLCSA-N 458.013 4.376 50 10 JIGE O=C(N[C@@H]1C[C@H](CBr)[C@@H]2C[C@H]12)c1cc(Cl)ccc1I 2110548264 GKEMVELRTCACGJ-ZRPKBAQZSA-N 454.533 4.094 50 10 JIGE C[C@@]12CN(C(=O)c3ccc(Br)cc3I)C[C@@]1(CBr)C2 2142284587 FBSUSYMDAUGEHK-KGLIPLIRSA-N 498.984 4.301 50 10 JIGE Cc1cccc(C(=O)N(C)[C@H](CCBr)C(F)(F)F)c1I 2178515832 PJYPGQXCIIRMSI-SNVBAGLBSA-N 464.063 4.388 50 10 JIGE C[C@@H]1CN(Cc2ccccc2)CCCN1S(=O)(=O)c1cc(F)ccc1CBr 2179789643 TVGOKLVJFNJHQT-MRXNPFEDSA-N 455.393 4.006 50 10 JIGE CN(CC1CCSCC1)S(=O)(=O)c1cc(CBr)sc1Br 2179792542 HMTBHOFONVIQTR-UHFFFAOYSA-N 463.282 4.169 50 10 JIGE CC1(C)CN(Cc2ccccc2)CCN(S(=O)(=O)c2ccccc2CBr)C1 2179819642 NZGYWYWKKKMUKO-UHFFFAOYSA-N 451.430 4.114 50 10 JIGE Cc1cc(S(=O)(=O)N(C)C[C@H]2CCCN(Cc3ccccc3)C2)sc1CBr 2179826972 ZKPWNXQZSDKYRR-GOSISDBHSA-N 471.486 4.484 50 10 JIGE CCC(CBr)(CBr)NC(=O)c1cc(Br)ccc1[N+](=O)[O-] 2185669135 ONGOKFBRGQPAJY-UHFFFAOYSA-N 472.959 4.026 50 10 JIGE COCC(CCO[C@@H](CI)c1ccccc1Br)COC 2187430624 NPGWNEXVANWJCY-HNNXBMFYSA-N 457.146 4.241 50 10 JIGE O=S(=O)(c1cc(CCl)ccc1Br)N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 2188887276 RLLOLQIMWYUMGF-MJGOQNOKSA-N 469.832 4.083 50 10 JIGE C[C@@H](Br)COCc1cn(-c2cc(Br)cc(Br)c2)nn1 2278382782 NGAMTUBINCXQFQ-MRVPVSSYSA-N 453.960 4.092 50 10 JIGE O=C(c1c(F)cccc1I)N1CCC(CCCBr)CC1 2282809768 UNUORHPUJGTXDJ-UHFFFAOYSA-N 454.121 4.458 50 10 JIGE C=CCNC(=O)C(C#N)=C1S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(OC)cc1 2314593313 LDDXFEOEJISIFU-FQEVSTJZSA-N 453.951 4.077 50 10 JIGE COc1ccccc1C(C#N)=Cc1ccc(OC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)cc1 2318356371 YGSBJIGVTASNGF-QGZVFWFLSA-N 452.466 4.349 50 10 JIGE COc1ccccc1CNC=C(C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324608257 DLDPOODFHNVQBZ-UHFFFAOYSA-N 466.585 4.126 50 10 JIGE C[C@@H]1CO[C@H](CBr)CN1Cc1ccc(I)c(Br)c1 2325223657 QEACLKRJYUSKSO-MWLCHTKSSA-N 488.989 4.038 50 10 JIGE O=C(N[C@H]1C[C@@H](CCl)[C@H]2C[C@@H]12)c1cc(I)ccc1Br 2329874835 GAHBHSRKYLPKFS-YTDXRRJTSA-N 454.533 4.047 50 10 JIGE C=CC[C@H](Br)[C@@H]1CCN1C(=O)c1ccc(I)c(Cl)c1 2335820059 DBOOBTDMKOLFDM-GWCFXTLKSA-N 454.533 4.499 50 10 JIGE Cc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)c2sc3ccccc3c2Cl)cc1C 12502532 ZBVVWQZWUWVVKS-UHFFFAOYSA-N 489.022 4.226 50 10 JIGE Cc1ccc(-c2n[nH]c(=S)n2CC(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)cc1 17200636 TXPUMHOXEMBTTN-UHFFFAOYSA-N 491.548 4.095 50 10 JIGE CCOc1ccc(NC(=O)/C(C#N)=C\c2c(N3CCCCCC3)nc3ccccn3c2=O)cc1 102991633 CAGIPHUZCWXPGX-ZPHPHTNESA-N 457.534 4.019 50 10 JIGE O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 104743734 ONTNWPHWDUPGIA-UHFFFAOYSA-N 458.396 4.154 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)NC(C)(C)[C@@H](C)Br)cc1Br 145743149 CQSGNPLUWBGOOY-MRVPVSSYSA-N 478.044 4.360 50 10 JIGE CCOc1ccccc1OCC(=O)NN=Cc1ccc(OCC(=O)/C=C/c2ccc(OC)cc2)cc1 254625120 WDMZSHAKVVNORJ-IFYZEKMFSA-N 488.540 4.284 50 10 JIGE CCOC(=O)c1c(NC(=O)NN=Cc2ccc(O)c(Br)c2)sc(C(C)=O)c1C 256017458 NBXFQHQSJQXRTP-UHFFFAOYSA-N 468.329 4.060 50 10 JIGE ClCc1ccc(-n2cnc(I)c2I)cc1Cl 309168534 IXGXLZXOICCLEU-UHFFFAOYSA-N 478.886 4.474 50 10 JIGE O=S1(=O)CCCC[C@@H]1COc1c(Br)cc(CBr)cc1Br 694406937 NRFGKUMMVXDVAP-SNVBAGLBSA-N 491.039 4.453 50 10 JIGE CCN(CC(=O)Nc1c(F)cccc1F)C(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1 920820368 DFIFUEFBRCLUIV-RGEXLXHISA-N 488.498 4.136 50 10 JIGE O=C(NN=C/C=C\c1ccccc1[N+](=O)[O-])/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 1082990318 HRIIGAYNVHHCKT-PURWYGBASA-N 485.456 4.089 50 10 JIGE COc1cc(C=NNC(=O)COc2cc(C)cc(C)c2)ccc1OCc1ccc(C(=O)O)cc1 1084122596 VVLJHASRRAXYGR-UHFFFAOYSA-N 462.502 4.118 50 10 JIGE COc1cc(C=NNC(=O)COc2ccccc2Cl)ccc1OCc1cccc(C(=O)O)c1 1084340281 BOWYZEQOYCBNCE-UHFFFAOYSA-N 468.893 4.155 50 10 JIGE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1 1608458795 DZJKSXCRURZSMY-DYESRHJHSA-N 455.555 4.004 50 10 JIGE COc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2F)CCC3)c(OC)c1 1772743566 BTVQZPHYHVSVKV-UHFFFAOYSA-N 465.481 4.467 50 10 JIGE CSCC[C@H](NC(=O)Cc1cc(-c2ccccc2)on1)C(=O)Nc1ccc(SC#N)cc1 1866911272 GQOIITISMKNJMH-FQEVSTJZSA-N 466.588 4.334 50 10 JIGE O=C(CCc1nc2ccccc2[nH]c1=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 1873496184 IKBQGKJXYBTNCO-JFLMPSFJSA-N 460.921 4.238 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CCC[C@@](F)(CCl)C1 2101289467 ULHGGXNNADIUDO-CYBMUJFWSA-N 460.512 4.237 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@H]2CC(Cl)C[C@@H]2C1 2128645804 RRIUQEZTFMHRAJ-RKDXNWHRSA-N 454.533 4.143 50 10 JIGE C[C@H](Br)C[C@@H]1COCCN1C(=O)c1scc(Br)c1Br 2128864940 NDKSQBUZLRBTBO-JGVFFNPUSA-N 476.028 4.288 50 10 JIGE FC(F)(F)c1cnc(N2CC[C@@H](Br)C3(CC3)C2)c(I)c1 2149581105 YKCMXHGWHQXDNR-SNVBAGLBSA-N 461.063 4.459 50 10 JIGE CC1(C)CN(Cc2ccccc2)CCN(S(=O)(=O)c2cc(CCl)oc2Br)C1 2150469053 WKSZFVQZGFRMRI-UHFFFAOYSA-N 475.836 4.314 50 10 JIGE CC(F)(F)C[C@@H](CBr)NS(=O)(=O)c1ccc(Br)cc1Cl 2169537041 DMFPKQCFFRSCMP-QMMMGPOBSA-N 455.546 4.190 50 10 JIGE C[C@H]1CN(Cc2ccccc2)[C@H](C)CN1S(=O)(=O)Cc1ccc(CBr)cc1 2179789383 PWGDKKJGKXIORQ-MSOLQXFVSA-N 451.430 4.006 50 10 JIGE C[C@@H]1C[C@@H](N(C)S(=O)(=O)Cc2ccc(CBr)cc2)CN1Cc1ccccc1 2179792156 CAAJDBSLKTXKAM-DYESRHJHSA-N 451.430 4.006 50 10 JIGE O=S(=O)(c1ccc(Cl)c(CBr)c1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 2188885692 NOBVUHCTAAJUOZ-OXJNMPFZSA-N 469.832 4.130 50 10 JIGE Cc1ccc(I)c(C(=O)N2C[C@H](CBr)CC(C)(C)C2)c1 2240919486 DIBATRIDXJLKJB-LBPRGKRZSA-N 450.158 4.483 50 10 JIGE COc1ccc(-c2nn(Cc3ccccc3)cc2C=C(C#N)C(=O)NCc2cccnc2)cc1OC 2295650060 OTHNCNATAWBVKW-UHFFFAOYSA-N 479.540 4.234 50 10 JIGE CCCn1c(C)cc(C=C(C#N)C(=O)OCC(=O)Nc2sc(C)c(C)c2C(=O)OC)c1C 2297356598 HZVRYBSVMMHDAO-UHFFFAOYSA-N 457.552 4.069 50 10 JIGE O=C(O)C[C@@H](Br)C(=O)c1c(Cl)cc(Br)c(F)c1Br 2315442304 RRXUUGRNZRTIRT-SCSAIBSYSA-N 467.310 4.425 50 10 JIGE C[C@H](NC(=O)C(C#N)=CNC1CCN(C(=O)OC(C)(C)C)CC1)C12CC3CC(CC(C3)C1)C2 2324915084 BSPIJHCQTHFQKZ-BALBBAFXSA-N 456.631 4.104 50 10 JIGE O=C(c1ccc(Br)cc1Br)N1C[C@H]2C[C@@H](CBr)[C@H]2C1 2330496595 SPJGQVRJRORNHB-YGOYTEALSA-N 451.984 4.315 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OCc2ccc3nccn3c2)C1 2343489536 XBWFBUZPWZGNOI-LJQANCHMSA-N 471.339 4.056 50 10 JIGE O=C(COc1ccc(Br)cc1)NNC(=S)NC(=O)c1sc2ccccc2c1Cl 12502537 YRXXAQRTRSDZLQ-UHFFFAOYSA-N 498.811 4.032 50 10 JIGE CCCCc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)N3CCOCC3)N(c3ccccc3)C2=O)cc1 33928382 FHSIAKZGRVIHSA-NLTRVXJZSA-N 475.614 4.314 50 10 JIGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)cc1 38683698 AKTLAVFQOWGDGU-XMMPIXPASA-N 474.900 4.493 50 10 JIGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2ccc([N+](=O)[O-])s2)C1 382730502 UDXWECNIZJHLNR-KGLIPLIRSA-N 472.304 4.444 50 10 JIGE O=c1sccn1CCOc1c(Br)cc(Br)cc1CBr 700207785 VXUKXMXHQYCQOY-UHFFFAOYSA-N 471.996 4.409 50 10 JIGE CC(C)[C@H](CI)NC(=O)c1scc(Br)c1Br 705508933 BHSWNQZHOVRSCI-ZETCQYMHSA-N 480.991 4.463 50 10 JIGE O=C(N[C@H](CBr)CC(F)F)c1cc(Br)sc1Br 717723029 LFEQMGYNHCLJRD-BYPYZUCNSA-N 455.944 4.422 50 10 JIGE COc1ccc(-c2cnc(CCC(=O)NNc3ccc(S(=O)(=O)Nc4ccccc4)cc3)o2)cc1 728216760 FSFOOSNNNYJZDK-UHFFFAOYSA-N 492.557 4.227 50 10 JIGE Cc1cc(/C=C(/C#N)C(=O)OCC(=O)Nc2ccc3c(c2)OCO3)c(C)n1-c1ccccc1F 755621208 ADIGUHYCTIHWQL-ZDLGFXPLSA-N 461.449 4.051 50 10 JIGE CCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3CCC)cc1OC 1865690913 DXTCNCPDGOEGTG-SFHVURJKSA-N 461.360 4.380 50 10 JIGE COc1ccc(-c2nn(CC(C)C)c3c2[C@@H](c2cc(OC)c(OC)c(OC)c2)C(C#N)=C(N)O3)cc1 1865692005 HEUOGLUSDOCCEH-QFIPXVFZSA-N 490.560 4.459 50 10 JIGE CCc1nn(CC)c2c1[C@H](c1cc(Br)c(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865698169 MFSMDSMSZXCDSJ-QGZVFWFLSA-N 461.360 4.242 50 10 JIGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@H]2C(=O)N=c2cc(C)o[nH]2)n1 1868387882 BGHIGKKQVDBXGM-SFHVURJKSA-N 463.567 4.072 50 10 JIGE Br[C@@H]1C[C@@H]1CNc1cc(I)cc(I)c1 1877441857 SPOBXXSCSDTHQD-LHLIQPBNSA-N 477.909 4.091 50 10 JIGE Brc1cc(I)cnc1N1C[C@@H]2CCC[C@H](Br)[C@H]2C1 2069533485 IHVGIFPXNSPGHC-LSJOCFKGSA-N 485.989 4.449 50 10 JIGE O=S(=O)(NC[C@@H](Br)CC(F)(F)F)c1cc(Cl)c(Br)s1 2119070258 DRJHQWGBHKPTCD-BYPYZUCNSA-N 465.538 4.158 50 10 JIGE C[C@@]1(CBr)COCCN(C(=O)c2csc(Br)c2Br)C1 2135076143 DTEFVHLIRZRYIT-LBPRGKRZSA-N 476.028 4.147 50 10 JIGE C[C@@H]1CN(Cc2ccccc2)CCN(S(=O)(=O)c2ccc(CCl)c(Br)c2)C1 2144842338 UMTZQHJYMPPYFM-MRXNPFEDSA-N 471.848 4.331 50 10 JIGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1C[C@H](Br)C2(CC2)C1 2149758694 ZKYYHYHTVKZWQB-JTQLQIEISA-N 464.006 4.304 50 10 JIGE O=C(NC1(CBr)CC2(CCC2)C1)c1cc(I)ccc1F 2169661414 GBBXQAHQHWIEAP-UHFFFAOYSA-N 452.105 4.258 50 10 JIGE O=S(=O)(c1ccc(CBr)s1)N1CCC[C@]2(CCN(Cc3ccccc3)C2)C1 2179813103 UVORSMGOIGESPC-HXUWFJFHSA-N 469.470 4.320 50 10 JIGE C[C@H]1[C@@H](Br)C[C@@H](C)CN1S(=O)(=O)c1cc(Cl)c(Br)s1 2227597156 DHJWWUOLYGJXJK-CSMHCCOUSA-N 451.633 4.347 50 10 JIGE C[C@@H](Cl)c1nc2cc(I)ccc2n1-c1cn(C)nc1Br 2238990694 HZGNMWVTKYPGQR-SSDOTTSWSA-N 465.520 4.426 50 10 JIGE Cc1nn(C)c2c1nc(CCl)n2-c1ccc(Br)cc1I 2240012103 QHALQHMLFSHAIF-UHFFFAOYSA-N 465.520 4.173 50 10 JIGE CC[C@@H]1[C@@H](Br)CCN1S(=O)(=O)c1cc(Br)ccc1Br 2273188085 ADXXXOAJTGFQLC-GXSJLCMTSA-N 476.028 4.148 50 10 JIGE BrC[C@@]12CCO[C@@H]1CN(Cc1ccc(Br)cc1Br)C2 2278943585 CJRGBBYNVQIZNR-ZIAGYGMSSA-N 454.000 4.197 50 10 JIGE CN(C(=O)c1c(F)cccc1I)[C@H](CCBr)C(F)(F)F 2282786526 GVSQIKNNSCESDS-SECBINFHSA-N 468.026 4.218 50 10 JIGE F[C@H]1C[C@H](Br)CN(Cc2ccc(I)c(Br)c2)C1 2306220031 SKMJIALHAZNPRN-UWVGGRQHSA-N 476.953 4.361 50 10 JIGE COc1ccc(C=C(C#N)C(=O)Oc2ccc3cc(C(=O)NCc4ccccc4)c(=O)oc3c2)cc1 2314748384 IEAALUHTOXLESX-UHFFFAOYSA-N 480.476 4.244 50 10 JIGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)C=Cc1cccc([N+](=O)[O-])c1 2314754726 ZJXVKSDZBOOYKW-UHFFFAOYSA-N 487.468 4.429 50 10 JIGE COc1cc([C@@H](Br)c2c(Br)ncn2C)c(OC)cc1Br 2362446454 KVNYJSJSQPVGAB-LLVKDONJSA-N 468.971 4.447 50 10 JIGE Clc1ccc(CN2C[C@@H](Br)C[C@]3(CCCO3)C2)c(I)c1 2366714751 LBNWMNWRVHJIQS-SWLSCSKDSA-N 470.576 4.463 50 10 JIGE COc1ccc(C(=O)N[C@H](CCBr)COCc2ccccc2)c(Cl)c1OC 2369434456 XNAIENJDLDRUBO-OAHLLOKOSA-N 456.764 4.457 50 10 JIGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(=S)NNC(=O)c1ccc(C(C)(C)C)cc1 13978968 KEQKAIOZSWZBOA-LBPRGKRZSA-N 468.406 4.394 50 10 JIGE CC[C@H](Oc1cccc(C)c1)C(=O)NNC(=O)COc1ccc2ccccc2c1Br 14023156 CLCYMVVRDLFBLT-IBGZPJMESA-N 471.351 4.295 50 10 JIGE CCc1cc2c3c(c1)[C@@]1(C(=O)N3C(C)(C)C=C2C)C(C#N)=C(N)N2C(=C1C#N)Nc1ccccc12 22568052 HOAGTQZAWZLFQI-MUUNZHRXSA-N 460.541 4.404 50 10 JIGE CCOc1ccc(-n2c(SCC(=O)/C(C#N)=C(\C)N)nnc2-c2c[nH]c3ccccc23)cc1 25425684 SWUITRYQLSEPSO-XDJHFCHBSA-N 458.547 4.232 50 10 JIGE Cc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)cc1 38649177 CTFYVFOCIIIEGN-DEOSSOPVSA-N 457.442 4.106 50 10 JIGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)cc1OC 38659549 FOVGBFGQPBTLME-DEOSSOPVSA-N 487.468 4.439 50 10 JIGE CN(Cc1ccccc1)c1ncnc(NNC(=O)C(c2ccccc2)c2ccccc2)c1[N+](=O)[O-] 40573003 CRLKWNRPAJDDEO-UHFFFAOYSA-N 468.517 4.296 50 10 JIGE C=CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c(F)c2)C1=O 101230995 QLGHUWBVGNMWRJ-FYJGNVAPSA-N 468.488 4.465 50 10 JIGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1C 206746690 MJBBNHASWWWNOT-PDGQHHTCSA-N 475.457 4.338 50 10 JIGE O=S(=O)(c1cc(CCl)sc1Br)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 380758986 XFCLWRTVMGGANL-CVEARBPZSA-N 489.888 4.392 50 10 JIGE CN(C[C@@H]1CCC[C@H]1Br)S(=O)(=O)c1cc(Br)ccc1Br 689295415 LJDKHBRZSCHUGM-GXSJLCMTSA-N 490.055 4.396 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N(C)[C@H]2CCC[C@H]2Br)cc1Br 709125989 KFMDKICQCFXLEN-SKDRFNHKSA-N 490.055 4.457 50 10 JIGE O=C(Cc1ccc2c(c1)OCO2)NN=Cc1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1 1081086651 GGZRIYZYTLGXRU-UHFFFAOYSA-N 472.251 4.039 50 10 JIGE CC(C)c1ccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)cc1 1083893677 IMSLTRCVIQIXHT-HXUWFJFHSA-N 486.572 4.155 50 10 JIGE C=CCn1c(S)nnc1-c1sc(NC(=O)/C(C#N)=C\c2ccc(OCC)cc2)nc1C 1136666508 LPOXMBPJWBRVEB-PTNGSMBKSA-N 452.565 4.129 50 10 JIGE C=Cc1ccc(CCNC(=O)NNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cc1 1686555172 WJOAJSCLFDRWPG-UHFFFAOYSA-N 451.530 4.369 50 10 JIGE CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)cc(Br)c2O)cc1[N+](=O)[O-] 1860774212 RIJUVRZLKILBDQ-UKWGHVSLSA-N 456.680 4.269 50 10 JIGE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865709872 JAKMXKFCUUDJDN-NRFANRHFSA-N 493.907 4.045 50 10 JIGE COc1ccc(/C=N/NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1OCc1ccccc1 1873794992 MLUJJOAKMCSOIH-NTRYICDMSA-N 453.539 4.124 50 10 JIGE CC1(C)C[C@@H](Br)CN1C(=O)c1cc(Br)ccc1I 2037327811 GLDNXNCDRZOWBD-SECBINFHSA-N 486.973 4.442 50 10 JIGE C[C@@](CCl)(NC(=O)c1ccc(I)c(Br)c1)C(F)F 2043168375 JKCUDUXYYROOFW-NSHDSACASA-N 452.464 4.046 50 10 JIGE O=S(=O)(c1ccc(CBr)c(Br)c1)N1CC[C@H](OCc2ccccc2)C1 2059389547 DALWEYDCUYHRTI-INIZCTEOSA-N 489.229 4.324 50 10 JIGE O=C(CBr)c1ccc(OC(F)(F)F)c(OC(F)F)c1I 2060367433 LFSIERKBUCPTRM-UHFFFAOYSA-N 474.945 4.369 50 10 JIGE Brc1ccc(CC[C@@H](Br)CN2CCOCC2)c(Br)c1 2099491985 GLGHBDRCUAVALB-CYBMUJFWSA-N 456.016 4.240 50 10 JIGE C[C@H]1CN(C(=O)c2ccc(I)c(Cl)c2)CC[C@@H]1CBr 2109032140 LPWQHVGHSFYLGN-GXSJLCMTSA-N 456.549 4.438 50 10 JIGE BrCCCN1CCN(Cc2c(Br)cccc2Br)CC1 2113617606 CWTBFFRMBPCUDF-UHFFFAOYSA-N 455.032 4.114 50 10 JIGE CS[C@H]1CC[C@H](N(C)S(=O)(=O)c2cc(CBr)sc2Br)C1 2179787921 VPTLXYHXVMLHAW-IUCAKERBSA-N 463.282 4.310 50 10 JIGE CC(C)(CBr)[C@H]1CCCN1C(=O)c1c(F)cccc1I 2282791417 FZIRSLXSMMXRGK-GFCCVEGCSA-N 454.121 4.456 50 10 JIGE COc1ccc(OC)c(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2c(F)cccc2Cl)c1 2296826673 ASJPIMZBVIWJCI-UHFFFAOYSA-N 481.911 4.418 50 10 JIGE CC(C)[S@@](=O)(=NCC(C)(C)CI)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2306809733 MFPBXXARWLTTMW-SHACYNPGSA-N 472.433 4.333 50 10 JIGE N#CC(=CN1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 2325231907 UCHIJTLQKYXYNI-UHFFFAOYSA-N 467.529 4.348 50 10 JIGE O=C(N[C@H]1C[C@@H]2C[C@H]1C[C@H]2Br)c1ccc(I)c(Br)c1 2330912366 CTPNYZPIEIDLSQ-XHSYRHOGSA-N 498.984 4.346 50 10 JIGE Cn1cnc(Br)c1[C@@H](Br)c1cc(Br)c2c(c1)CCO2 2337329743 GWRMQYXSULLGOU-JTQLQIEISA-N 450.956 4.364 50 10 JIGE O=S(=O)(C1CC(OCc2ccccc2)C1)N1CC[C@@H](C2CCC(Br)CC2)C1 2381261680 HDTWEQXYMNKAGE-VGLNDMCTSA-N 456.446 4.340 50 10 JIGE Cc1ccc(O[C@H](C)C(=O)NNC(=S)NC(=O)c2ccccc2OCCc2ccccc2)cc1C 10154434 OREFDPXODIAICI-HXUWFJFHSA-N 491.613 4.028 50 10 JIGE Cc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1I 12493003 ADOCVIYXCQJFNR-JTQLQIEISA-N 493.128 4.135 50 10 JIGE Cc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCCC(C)C)c(Br)c2)cc1 14645980 GCXWALIHVMDSOA-UHFFFAOYSA-N 478.412 4.132 50 10 JIGE CCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(Cl)cc1Cl 14652643 DEUIQGUCXNDSDM-UHFFFAOYSA-N 476.154 4.385 50 10 JIGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)cc1 38650354 LCGKKMFNMHRTCB-MYYSRTQBSA-N 460.461 4.425 50 10 JIGE COc1cc(OC)cc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2OC)c1 40869976 FUWGNXFYQDQCOG-SRZZPIQSSA-N 472.497 4.155 50 10 JIGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C1\C(=O)N(C)c2ccc(Br)cc21 59166997 MZGYIDDZLKBSBS-HKSAUNJISA-N 471.138 4.020 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)NC[C@@H]2CCC[C@@H]2Br)cc1Br 136553774 QQTGPFWIFRSMRX-UWVGGRQHSA-N 490.055 4.362 50 10 JIGE O=C1NCCCc2ccc([C@@H](Br)c3ccc(I)cc3)cc21 228229932 WAMTXZAPHCKSQL-INIZCTEOSA-N 456.121 4.452 50 10 JIGE CO[C@@H]1[C@@H](Br)C[C@H]1Oc1c(Br)cc([N+](=O)[O-])cc1Br 252844160 FQPMBCAXEZLEAJ-IQJOONFLSA-N 459.916 4.049 50 10 JIGE C[C@@H]1[C@H](CBr)CCN1S(=O)(=O)c1cc(Br)ccc1Br 385726723 SWSCYSRRNGPXEX-BDAKNGLRSA-N 476.028 4.006 50 10 JIGE O=C(NCCC1(CBr)CC1)c1cc(I)ccc1Br 395869756 HYEFUJOMNQRYPW-UHFFFAOYSA-N 486.973 4.349 50 10 JIGE C[C@@H]1C[C@H](Br)CCN1S(=O)(=O)c1cc(Br)ccc1Br 705605253 NUOQQICPQXEZFA-PSASIEDQSA-N 476.028 4.148 50 10 JIGE C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)NNc1cc(C(F)(F)F)ccc1Br 1451572275 VDUXWHJCFWRONY-NSHDSACASA-N 454.246 4.426 50 10 JIGE C#CCOc1ccc(F)cc1NC(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl 1476223828 IBEBMHPYUNHDIR-UHFFFAOYSA-N 454.285 4.156 50 10 JIGE C=CCNC(=O)CNC(=O)Nc1cc(Br)ccc1CO[Si](C)(C)C(C)(C)C 1677865166 PJYAIXYRCOWYOC-UHFFFAOYSA-N 456.457 4.395 50 10 JIGE CCN(CC)Cc1ccc(/C=N/NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 1860773927 KAZVVTGWSJFBAI-NGVBTRAHSA-N 479.650 4.136 50 10 JIGE O=C(NC[C@@H]1CCC2(CCC2)[C@@H]1Br)c1sccc1I 1924793469 OSKJUVODAXTPLI-JOYOIKCWSA-N 454.171 4.426 50 10 JIGE C[C@H](Br)CN(c1ncc(I)cc1Br)C1CC1 1988533385 UOUNBQIXYRJYJO-ZETCQYMHSA-N 459.951 4.201 50 10 JIGE N#CC(=Cc1ccc(OC(=O)c2cc3ccccc3oc2=O)cc1)c1nnc2n1CCCCC2 2042453307 BLKPEMICGOTFJG-UHFFFAOYSA-N 452.470 4.394 50 10 JIGE O=C(CCl)c1ccc(I)c(I)c1C(F)F 2060380579 KEANWPUIRYSJJK-UHFFFAOYSA-N 456.395 4.255 50 10 JIGE Fc1ccc(-n2nc(CBr)c(I)c2C(F)(F)F)c(F)n1 2078935098 XMMIIJVZEBPSLV-UHFFFAOYSA-N 467.961 4.064 50 10 JIGE C#CC[C@](C)(CBr)CNC(=O)c1scc(Br)c1Br 2084840280 DAYGGSZLWLBLJG-GFCCVEGCSA-N 458.013 4.427 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1C[C@H](Br)[C@H](C2CC2)C1 2090687014 ZFDZJSLCJOEHJF-RYUDHWBXSA-N 454.533 4.190 50 10 JIGE O=S1(=O)CC[C@H]([C@H](CBr)Cc2ccc(Br)cc2Br)C1 2092260704 JSJTZBIEXAQIAC-QWRGUYRKSA-N 475.040 4.200 50 10 JIGE CCCN1CC[C@@H]([C@@H](Cl)c2csc(Br)c2Br)S1(=O)=O 2093945120 WBAYWIVKFAEEMD-WPRPVWTQSA-N 451.633 4.367 50 10 JIGE CCN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccsc1CBr 2123282066 FAIOQDNWMQJYKL-UHFFFAOYSA-N 457.459 4.318 50 10 JIGE CC(C)(C)OC(=O)N[C@H](C[S@](C)(=O)=NC(=O)N1CCC(Br)CC1)C(C)(C)C 2162868422 PXSGJIWJIFWGDW-ASHKIFAZSA-N 468.458 4.003 50 10 JIGE CC1=C(Br)CN(S(=O)(=O)c2ccc(CBr)c(Br)c2)CC1 2179954106 JXAQYMCYEUGWDZ-UHFFFAOYSA-N 488.039 4.407 50 10 JIGE CN(Cc1ccccc1I)S(=O)(=O)c1ccsc1CBr 2280336776 SUBHGXPYNGUIFF-UHFFFAOYSA-N 486.194 4.068 50 10 JIGE BrC[C@@H]1[C@H]2C[C@H]1N(Cc1ccc(I)c(Br)c1)C2 2306219209 JTIGGIZWTZSELI-OPQQBVKSSA-N 470.974 4.269 50 10 JIGE Clc1ccc(CN2CCC[C@H](OCCBr)C2)cc1I 2337223465 MRCAKKYSOCSQGD-LBPRGKRZSA-N 458.565 4.321 50 10 JIGE COCCO[C@H]1[C@@H](OCc2ccc(Cl)cc2I)C[C@H]1Br 2365635094 CBWDEKVFQJWKTG-KWCYVHTRSA-N 475.548 4.029 50 10 JIGE CC[C@H](Nc1ccccc1)C(=O)N/N=C/c1cc(Br)c(O)c(Br)c1 1953093 GKDQDBLUSKVIKQ-VYXQJKENSA-N 455.150 4.258 50 10 JIGE CC(C)CCOc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCC(C)C)cc2)cc1 14030664 LHNWGVYDCZBAFG-UHFFFAOYSA-N 457.596 4.096 50 10 JIGE O=C(CCC(=O)Nc1ccccc1)NNC(=O)COc1ccc(-c2ccccc2)cc1Br 14642170 VIWUDVLZPQPPPX-UHFFFAOYSA-N 496.361 4.061 50 10 JIGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)c1OC 38658898 SZWBTHFDFCRYMY-OYLFLEFRSA-N 490.487 4.434 50 10 JIGE COc1ccccc1NC(=O)/C(C#N)=C\c1c(Oc2ccc(F)cc2)nc2c(C)cccn2c1=O 39858710 IUBWJYKJWCZWEW-VKAVYKQESA-N 470.460 4.489 50 10 JIGE Cc1c(C(=O)NC(C)(C)C)oc2c1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 40823202 NVPSPFLOKIYAFR-OXUBWTJQSA-N 459.362 4.106 50 10 JIGE Cc1ccccc1SCC(=O)N/N=C/c1cc(Br)cc(Br)c1O 59146529 IBYKKEZUUTXOTR-UFWORHAWSA-N 458.175 4.468 50 10 JIGE CC(=NNC(=O)c1nn(C)c(C)c1Br)c1ccc(NC(=O)c2ccc(C)s2)cc1 252636146 XFECPRAVYQFQHI-UHFFFAOYSA-N 474.384 4.267 50 10 JIGE CCCCOc1ccc(C(=O)NCC(=O)NN=Cc2ccc(OCc3ccccc3)cc2)cc1 254305166 CPRDSFHUMIIJAF-UHFFFAOYSA-N 459.546 4.325 50 10 JIGE COc1cccc(C(C)=NNC(=O)C2CCN(S(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)CC2)c1 254405306 ZRMPZIOVMJMVSK-UHFFFAOYSA-N 485.650 4.178 50 10 JIGE N#CCCn1cc(/C=C(/C#N)C(=O)NCCOc2ccc(Br)cc2)c(-c2ccccc2)n1 744001172 FSAKXLYNIPBLHZ-CYVLTUHYSA-N 490.361 4.328 50 10 JIGE Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccccc2C(=O)NNc2ccccc2[N+](=O)[O-])c1C 914833098 DWBIZOXPYHDPLI-UHFFFAOYSA-N 468.535 4.386 50 10 JIGE C=CCc1cc(C=NNC(=O)CN2CCOCC2)cc(OCC)c1OCc1cccc2ccccc12 1084104604 CJILXWSAFKWRDP-UHFFFAOYSA-N 487.600 4.328 50 10 JIGE COc1ccccc1C=NNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1 1084452344 WMLNFGOEDFUISW-UHFFFAOYSA-N 471.966 4.003 50 10 JIGE Cc1ccsc1C=NNC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 1084478492 ANAVMCZWXDLVRY-UHFFFAOYSA-N 476.023 4.094 50 10 JIGE CC(=O)c1cccc(OCC(=O)NNC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)c1 1349405889 AISAROAEHSVHGI-UHFFFAOYSA-N 453.498 4.253 50 10 JIGE C=CCc1ccc(OCC(=O)NNc2ccc(-c3cccc(C(F)(F)F)c3)nn2)c(OC)c1 1467912192 IZYUETUXRHPGDK-UHFFFAOYSA-N 458.440 4.422 50 10 JIGE CSCC[C@H](NC(=O)C[C@@H](c1ccccc1)c1nnc(C)o1)C(=O)Nc1ccc(SC#N)cc1 1867036450 TXDXKCZEBMHSKQ-SFTDATJTSA-N 495.630 4.350 50 10 JIGE CC[C@H](NC(=O)c1sc(CNC(=O)OC(C)(C)C)nc1C)C(=O)Nc1ccc(SC#N)cc1 1867079431 GPFXTGSXFJELDV-INIZCTEOSA-N 489.623 4.197 50 10 JIGE O=C1c2ccccc2C(=O)N1C[C@H](Br)Cc1cc(F)c(Br)cc1F 1905371998 QTZZEUTZFCZRCM-SNVBAGLBSA-N 459.084 4.330 50 10 JIGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N(Cc1ccccc1)C1(CCl)CCC1 1915765759 OXZARZWJRVOLML-UHFFFAOYSA-N 489.037 4.302 50 10 JIGE Cc1sc(C)c(S(=O)(=O)N[C@H](CCBr)C(F)(F)F)c1Br 1918529632 PXLLVNOFMFKCLH-SSDOTTSWSA-N 459.147 4.122 50 10 JIGE O=C(N[C@@H](CBr)C(F)(F)F)c1ccc(Br)cc1Br 2029991374 BCLQAFBICSBHKF-QMMMGPOBSA-N 453.878 4.267 50 10 JIGE CC[C@]1(NC(=O)N2CCC(Br)CC2)CCCN(C(=O)OCc2ccccc2)C1 2044176001 PFPUYXNPXTZLAC-NRFANRHFSA-N 452.393 4.137 50 10 JIGE N#CC(=C1N[C@@](c2ccccc2)(C(F)(F)F)[C@@H](C(=O)c2ccc3c(c2)OCO3)O1)c1ccccn1 2059835868 BCAPTEXZKPYRAM-ISKFKSNPSA-N 479.414 4.332 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CC=C(CBr)CC1 2086152171 YCNDKOUXFLQEJP-UHFFFAOYSA-N 484.957 4.221 50 10 JIGE Cc1sc(CBr)cc1S(=O)(=O)N(C)Cc1nccn1Cc1ccccc1 2123242687 ZSFUJLDQMAMHQO-UHFFFAOYSA-N 454.415 4.017 50 10 JIGE CC(C)(C)OC(=O)N1CCCCN(C(=O)[C@H](Br)C2CCCC2)CC(F)(F)C1 2167033434 RGPDAAPZYWWXJA-OAHLLOKOSA-N 453.368 4.435 50 10 JIGE CN(C(=O)c1cc(I)ccc1O)C1(CBr)CCCCC1 2170162244 CREMXBWXMMCTIE-UHFFFAOYSA-N 452.130 4.167 50 10 JIGE Cc1cccc(C(=O)N(C)C2(CBr)CCSCC2)c1I 2171182388 QFZFQYPRXUNNMY-UHFFFAOYSA-N 468.198 4.332 50 10 JIGE CN(CC1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccccc1CBr 2179811818 JZNWPOVGGDWTBO-UHFFFAOYSA-N 451.430 4.114 50 10 JIGE CCN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)C1CCC(CBr)CC1 2179825415 GSVKBSNGUZGLQA-UHFFFAOYSA-N 457.478 4.256 50 10 JIGE C=CCN(CC(=C)Br)S(=O)(=O)c1cc(CBr)ccc1Br 2179857574 BGEFKGWERHFWCS-UHFFFAOYSA-N 488.039 4.429 50 10 JIGE CN([C@@H]1CC[C@@H]1OCc1ccccc1)S(=O)(=O)c1ccc(CCCBr)cc1 2179858908 VSXDLJDQVHMSDR-RTWAWAEBSA-N 452.414 4.382 50 10 JIGE CN([C@@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@@H]21)S(=O)(=O)c1cc(CBr)co1 2190548497 SWDFXFLLRDMORQ-ZSYWTGECSA-N 454.386 4.179 50 10 JIGE CCCN1CC[C@H]([C@@H](Cl)c2ccc(Br)cc2I)S1(=O)=O 2207268879 OBEFXBHJXLPIBJ-OLZOCXBDSA-N 492.604 4.148 50 10 JIGE C=CC[C@H](CBr)CNC(=O)Cc1cc(Br)cc(Br)c1 2277927879 NGBOORWTWKCLGM-SNVBAGLBSA-N 454.000 4.458 50 10 JIGE O=C(NC[C@@H]1CC[C@H](CBr)CO1)c1ccc(Br)cc1Br 2279404431 CLLPDOBZUQJZKX-KOLCDFICSA-N 469.999 4.132 50 10 JIGE N#CC(=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 2314487752 JWPBABUKDHHKLN-UHFFFAOYSA-N 462.487 4.440 50 10 JIGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(Cl)cc2Cl)c(OC)c1 2314717245 WEVGWWNORPCZSA-UHFFFAOYSA-N 450.274 4.456 50 10 JIGE O=C(CCc1nc2ccccc2[nH]c1=O)NN=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2321685139 IKBQGKJXYBTNCO-UHFFFAOYSA-N 460.921 4.238 50 10 JIGE COc1cc(C=NNC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)ccc1OC(=O)c1ccccc1 2328824645 CYWBFGRUKHBQAR-FQEVSTJZSA-N 483.565 4.304 50 10 JIGE CC(C)(C)OC(=O)NCC[C@@H]1CCN(C(=O)[C@H]2C[C@H](Br)C2)[C@@H](C(F)(F)F)C1 2362898997 YZFLAWMXSMDDQN-AAVRWANBSA-N 457.331 4.244 50 10 JIGE CC(C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1ccccc1OCCc1ccccc1 10510571 XBPIQENGHYSYDD-UHFFFAOYSA-N 491.613 4.146 50 10 JIGE O=C(COc1ccc(Cl)cc1Cl)NC(=S)NNC(=O)c1ccc(Cl)cc1Cl 12502385 DMKRWBMNWQSACD-UHFFFAOYSA-N 467.161 4.015 50 10 JIGE N#C/C(C(=O)CN1CCN(c2ccccc2F)CC1)=C1/NC(c2ccc(Cl)cc2)=CS1 13125448 WHYMRKZEEHIIJC-PTGBLXJZSA-N 454.958 4.240 50 10 JIGE CC(C)c1ccc(OCC(=O)NNC(=O)[C@@H](C)Oc2ccccc2Cl)c(Br)c1 14026972 DOZKAQQVGAXOEL-CYBMUJFWSA-N 469.763 4.220 50 10 JIGE COc1ccc(C(=O)NNC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)cc1OC 14766852 DHTMKWPWAYCXBB-UHFFFAOYSA-N 499.361 4.163 50 10 JIGE COC(=O)c1ccccc1Nc1ncnc(NNC(=O)C(c2ccccc2)c2ccccc2)c1[N+](=O)[O-] 40645650 BWAUTCHTEPNZQL-UHFFFAOYSA-N 498.499 4.190 50 10 JIGE CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc3c(c2)C[C@@H](C)O3)C1=O 101332498 AGJXPYNSBCSZEM-DMGPTTAYSA-N 464.525 4.475 50 10 JIGE CC(=O)OCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)C1=O 101341111 LWTGSZIAHOMKEE-LICLKQGHSA-N 459.285 4.409 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N(CCBr)C2CC2)cc1Br 158638228 ZXQUPWXFSLFGCF-UHFFFAOYSA-N 476.028 4.068 50 10 JIGE CCOC(=O)c1cnn(-c2cc(C)c3cc(C)cc(C)c3n2)c1NC(=O)CCBr 170509218 BVJJVLVWPHOYHP-UHFFFAOYSA-N 459.344 4.246 50 10 JIGE CCC[C@H](Br)CNC(=O)c1cc(I)ccc1Br 233326264 SYEGKRASCBSAIC-QMMMGPOBSA-N 474.962 4.347 50 10 JIGE COc1cc(C=NNC(=O)COc2ccc(C)c(C)c2)ccc1OC(=O)/C=C\c1ccccc1 254820798 DJAYYXPUDFLRRL-RSNPXYNGSA-N 458.514 4.460 50 10 JIGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3cccc(OC)c3)cc2)cc1 263622574 RZRIIOMHTHSSLQ-UHFFFAOYSA-N 489.528 4.182 50 10 JIGE ClCc1nc2cc(I)ccc2n1CCn1cc(Br)cn1 312359490 JWGCSRUIDLFVIN-UHFFFAOYSA-N 465.520 4.039 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2CC[C@@H](CBr)[C@H]2C)cc1Br 385642175 KAYGDGXQCGEPCW-ZJUUUORDSA-N 490.055 4.314 50 10 JIGE C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12 727705863 CIKWUQGVWZHEKQ-ZDUSSCGKSA-N 478.455 4.274 50 10 JIGE O=C(NNC(=O)c1ccc(Cl)cc1)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 731404490 MZEVXEVALRPRFH-UHFFFAOYSA-N 455.773 4.255 50 10 JIGE COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3)c2)cc(OC)c1OC 1082753773 IPBCOYMJMLUWOP-UHFFFAOYSA-N 467.909 4.382 50 10 JIGE COc1cccc(C(=O)N[C@H]2Cc3ccccc3C2=NNC(=O)Nc2ccc(OC(F)(F)F)cc2)c1 1088687509 ZBAXLAOCKLQBEV-NRFANRHFSA-N 498.461 4.474 50 10 JIGE C#Cc1cccc(NC(=S)NNC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C)cc3)c2C)c1 1176937685 SBUZOZGSQDXSOH-JCMHNJIXSA-N 453.571 4.309 50 10 JIGE CC(=O)N1CCc2cc(NC(=O)NNC(=O)c3cc4c(s3)CC[C@@H](C(C)(C)C)C4)ccc21 1667033903 FCHDXYFKMIPDPS-QGZVFWFLSA-N 454.596 4.275 50 10 JIGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(OC)c(O)c1)C(C#N)=C(N)O2 1865682151 HLKLSKDKBWDWDZ-OAQYLSRUSA-N 450.926 4.470 50 10 JIGE Brc1cc(C[C@@H]2CCOC[C@@H]2Br)ccc1I 1904328565 FNCSWIOMIAULHY-ONGXEEELSA-N 459.947 4.396 50 10 JIGE CC(C)[C@H](CCl)N(Cc1ccccc1)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 1915268263 LBWIICJRNXCSKK-QFIPXVFZSA-N 491.053 4.404 50 10 JIGE CC[C@@H](Br)CN(C)C(=O)c1cc(I)ccc1Br 1999380668 SWVTYZAQCZNTLX-MRVPVSSYSA-N 474.962 4.299 50 10 JIGE CCOC(=O)Cc1c(CBr)cc(I)cc1C(F)(F)F 2055267774 KWTWCWMVTTYZHU-UHFFFAOYSA-N 451.020 4.311 50 10 JIGE O=C(CCl)c1ccc(I)c(C(F)F)c1I 2060384037 KWKDIHVQGZKQAK-UHFFFAOYSA-N 456.395 4.255 50 10 JIGE C[C@H](Br)CCc1cn(-c2ccc(Br)c(I)c2)nn1 2068991274 LZJQXPGAVAKZFO-QMMMGPOBSA-N 484.961 4.350 50 10 JIGE C[C@H](Br)CCc1cn(-c2cc(Br)ccc2I)nn1 2068991803 RLCSPFJYXQLMAL-QMMMGPOBSA-N 484.961 4.350 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@](CI)(O[C@H]2COC3(CCCC3)C2)C1 2069129868 XVYJEIAYIGQIIM-DNVCBOLYSA-N 465.372 4.309 50 10 JIGE O=C(c1ccc(Br)cc1Br)N1C[C@@H]2C[C@H](CBr)[C@@H]2C1 2117690524 SPJGQVRJRORNHB-PTRXPTGYSA-N 451.984 4.315 50 10 JIGE O=S(=O)(CCC(CCl)CCl)NCc1cc(Br)ccc1Br 2160950818 ZAXXBUKMXPFRRD-UHFFFAOYSA-N 468.038 4.115 50 10 JIGE CC1(C)CO[C@@H](CBr)CN1C(=O)c1c(Br)cccc1Br 2167531537 HPVJWVXWGORINE-VIFPVBQESA-N 469.999 4.226 50 10 JIGE C=C[C@@]1(CBr)COCCN1C(=O)c1c(Br)cccc1Br 2199855100 ICVIDGRQFMUIQW-CQSZACIVSA-N 467.983 4.004 50 10 JIGE CC(C)(C)OC(=O)NC[C@H]1CN(CCCCCI)C[C@@H]1C(F)(F)F 2214711944 RJARUXGAYROENX-STQMWFEESA-N 464.310 4.227 50 10 JIGE CCOc1ccc(C=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2)cc1 2295523586 ZBPFZPSEDUGRSH-UHFFFAOYSA-N 456.546 4.073 50 10 JIGE COc1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2cccc(OC)c2)cc1 2296720330 RADAOPASULGTFB-UHFFFAOYSA-N 468.469 4.050 50 10 JIGE CCN(C[C@](C)(CI)OC[C@H]1CCC[C@@H](C)O1)C(=O)OC(C)(C)C 2301122166 IHXSDVZDLDJDBB-RKVPGOIHSA-N 455.377 4.411 50 10 JIGE CC(C)(C)OC(=O)N[C@]12CCC(F)(F)C[C@H]1CN(CCCCI)C2 2303901495 JTQQGIYKWQPRDR-BBRMVZONSA-N 458.331 4.216 50 10 JIGE COc1ccc(C=NNC(=O)c2ccc3nc(-c4ccccc4O)[nH]c3c2)c(Cl)c1OC 2323743537 FHEIKWABRZONQK-UHFFFAOYSA-N 450.882 4.370 50 10 JIGE Cc1cc(OCC(=O)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc(C)c1Cl 13982171 LFFFXGQMGUTQIM-UHFFFAOYSA-N 451.910 4.049 50 10 JIGE CCc1cc(C(=O)Nc2cccc(/C(C)=N/NC(=O)COc3ccc4c(c3)OCO4)c2)cs1 20191883 UOSWBNXDEUMEDU-CVKSISIWSA-N 465.531 4.211 50 10 JIGE CCCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2OC)cc1 40882674 YMWBGFNXHKVEIC-XDJHFCHBSA-N 471.579 4.060 50 10 JIGE C=CCNC(=O)/C(C#N)=C1\S[C@@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(OCC)cc1 101241808 KXAUPPNXKWOOCE-YWDBVWQESA-N 467.978 4.467 50 10 JIGE CCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)C1=O 101332756 RHTXLZHYIPCFTG-HYARGMPZSA-N 467.485 4.450 50 10 JIGE C[C@H]1C[C@@H](Br)CN(C(=O)c2ccc(I)c(Br)c2)C1 721613885 MZVLUSLKRUJKED-WCBMZHEXSA-N 486.973 4.299 50 10 JIGE Cc1onc(-c2ccc(F)cc2)c1C(=O)NNC(=O)c1ccc(Br)cc1Cl 728829181 AVFUGUYXHDRCHO-UHFFFAOYSA-N 452.667 4.280 50 10 JIGE CCC(=NNC(=O)COc1ccc(Br)cc1Br)c1ccc(O)cc1 1084011130 JTHLRWAZSIUNIS-UHFFFAOYSA-N 456.134 4.227 50 10 JIGE COc1ccccc1NC(=O)COc1ccc(C=NNC(=O)c2c(C)nc3ccc(Cl)cn23)cc1 1084594880 VPOSRIJWPDTDQS-UHFFFAOYSA-N 491.935 4.086 50 10 JIGE C#CCOc1ccccc1CNC(=O)NNC(=O)c1cc(-c2ccccc2)nc2ccccc12 1564066645 AMDYPTVTOCOIGU-UHFFFAOYSA-N 450.498 4.058 50 10 JIGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2ccc([N+](=O)[O-])c(O)c2)C1 1614636545 JPQLSJXHLOUPEX-HZPDHXFCSA-N 482.274 4.088 50 10 JIGE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@@H]2c1cc(Br)c(O)c(OC)c1 1865688804 BEAOJUGGSWTWRY-KRWDZBQOSA-N 467.323 4.265 50 10 JIGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(OC)cc1OC)C(C#N)=C(N)O2 1865708063 NDZORFZEXIMPKU-HXUWFJFHSA-N 481.350 4.433 50 10 JIGE O=S(=O)(NC[C@H]1C[C@H](Br)C1)c1c(Cl)cc(Br)cc1Cl 1887742701 QDSBKLYFTHBEBF-LJGSYFOKSA-N 451.995 4.208 50 10 JIGE C[C@H](Br)[C@@H]1CCN1Cc1ccc(I)c(Br)c1 1904346997 YJJCNEFNFJCMNK-UFBFGSQYSA-N 458.963 4.411 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCNCc1cccc(I)c1 1985350840 WUEBVOYIRPSNFK-UHFFFAOYSA-N 468.426 4.287 50 10 JIGE BrCCCN(c1ncc(I)cc1Br)C1CC1 1988533514 WQICUDHDCOWWMH-UHFFFAOYSA-N 459.951 4.203 50 10 JIGE O=C(c1cccc(Br)c1Br)N1C[C@H](Br)[C@H](Br)C1 2019463858 JEJSXFDQQYYEBC-DTORHVGOSA-N 490.815 4.194 50 10 JIGE C[C@@H](Br)[C@@H]1CCN(C(=O)c2ccc(Br)cc2I)C1 2086140080 XQPJSBAYLLRAPW-RKDXNWHRSA-N 486.973 4.299 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@H]2C[C@H]1CC[C@@H]2Cl 2088642958 CBHUFZVWGHYOBM-UISBYWKRSA-N 454.533 4.286 50 10 JIGE CC1(C)[C@@H](CNC(=O)c2ccc(I)c(Br)c2)C[C@H]1Cl 2097947842 BAMFAJHFQHDWSR-BXKDBHETSA-N 456.549 4.437 50 10 JIGE C[C@H]1CN(Cc2ccccc2)C[C@H](C)N(S(=O)(=O)c2csc(CBr)c2)C1 2123236960 LHLXUVDRCMSAQJ-HOTGVXAUSA-N 457.459 4.174 50 10 JIGE CCN(CC)CCN(Cc1ccccc1)S(=O)(=O)c1cc(C)c(CBr)s1 2123243235 HFTCWCLDZNGGDW-UHFFFAOYSA-N 459.475 4.484 50 10 JIGE Cc1csc(CBr)c1S(=O)(=O)N1C[C@@H](C)N(Cc2ccccc2)C[C@H]1C 2123244363 VKBLUICSTFTPJV-HZPDHXFCSA-N 457.459 4.235 50 10 JIGE CC[C@@H]1CN(C(=O)c2ccc(I)c(Cl)c2)C[C@H]1CBr 2140782786 CXJUNHQPGJREQM-MWLCHTKSSA-N 456.549 4.438 50 10 JIGE Cc1cc(C(=O)NC[C@H](Br)CC(F)(F)F)ccc1I 2142144668 QIXCFSRZXHABNF-SECBINFHSA-N 450.036 4.045 50 10 JIGE CC1(C)CCN(C(=O)Cc2ccccc2I)C[C@@H]1CBr 2148670580 RAFRETCOITZUFB-ZDUSSCGKSA-N 450.158 4.103 50 10 JIGE O=S(=O)(c1cc(CCl)sc1Br)N1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 2168747799 OKORBIGZFGZLBN-HZPDHXFCSA-N 489.888 4.392 50 10 JIGE CN(Cc1ccccc1)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)c(CCl)c2)C1 2169155226 YXFOYCKJQHVGIS-SFHVURJKSA-N 471.848 4.473 50 10 JIGE COCCOCCN(Cc1ccccc1)S(=O)(=O)c1ccc(CBr)cc1Cl 2179793021 NWJOYXHYSLGGKI-UHFFFAOYSA-N 476.820 4.089 50 10 JIGE Cc1csc(CBr)c1S(=O)(=O)N1CCC(CN(C)Cc2ccccc2)CC1 2179814455 CFOGUJNWGKUPMK-UHFFFAOYSA-N 471.486 4.484 50 10 JIGE O=C(N[C@@]12CC[C@@](CBr)(C1)OC2)c1c(Br)cccc1Br 2190198512 ICHGSKGXCKKUAJ-KBPBESRZSA-N 467.983 4.028 50 10 JIGE CCC[C@H]1CN(C(=O)c2cccc(F)c2I)C[C@@H]1CBr 2205684023 PVUJQKRXMNZSQY-QWRGUYRKSA-N 454.121 4.314 50 10 JIGE CC(C)(C)OC(=O)N1CCN(CCCCCI)C[C@H]1CC(F)(F)F 2214697859 SDLSKIQPFJCYSA-CYBMUJFWSA-N 464.310 4.465 50 10 JIGE CCO[C@@H]1[C@@H](Br)C[C@H]1Oc1cc(Br)cc(I)c1 2301074370 RFXZPYKCLLHPGW-QJPTWQEYSA-N 475.946 4.373 50 10 JIGE CC(C)(CI)CN1C[C@@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C1 2306818978 POSUDESZCPDKAQ-VXGBXAGGSA-N 464.310 4.083 50 10 JIGE C=CCc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OC 2313566807 AUZGXBPUUMFZBA-UHFFFAOYSA-N 466.379 4.442 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1C[C@@H](Br)[C@H](C2CC2)C1 2340061881 SJPNXLMJYAFFGU-NWDGAFQWSA-N 454.533 4.190 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@H]2CC[C@H]1[C@H](Br)C2 2349961838 WXDQDSJUMBTTBO-CKLFPEKLSA-N 498.984 4.442 50 10 JIGE Cn1cc(I)c(COc2cc(F)c(CBr)c(Cl)c2)n1 2351681994 MHDCFEPKJTWVFT-UHFFFAOYSA-N 459.484 4.291 50 10 JIGE CCc1ccc(OCC(=O)NNC(=O)COc2ccccc2[C@@H](C)CC)c(Br)c1 13980389 LYDUILYWKKKSHL-HNNXBMFYSA-N 463.372 4.130 50 10 JIGE Cc1ccc(C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCCC(C)C)cc1 14651223 VGBIEHWBQLTLAM-UHFFFAOYSA-N 478.412 4.132 50 10 JIGE Cc1nn(CC(C)C)c(C)c1CC(=O)NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1 16644848 DKGIVUNQIIAFDC-UHFFFAOYSA-N 468.985 4.392 50 10 JIGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccccc2OCc2ccccc2C#N)cc1 58895491 JFMIUULDYVFYTH-CIGKTAFOSA-N 457.530 4.500 50 10 JIGE CC1(C)[C@H]2CC[C@@]1(C(=O)NNC(=O)COc1ccccc1)c1nc3cc(Cl)c(Cl)cc3nc12 101106627 IDECZSZTWNBCQW-BSEYFRJRSA-N 485.371 4.318 50 10 JIGE O=C(COc1ccc(Br)cc1Br)N/N=C1/CCCc2ccccc21 104579759 GMFPEWNZWQKPOM-PGMHBOJBSA-N 452.146 4.447 50 10 JIGE O=C(NC[C@H]1CC[C@@H](Br)C1)c1cc(Br)ccc1I 227673017 ZMILHTWONZOWDP-DTWKUNHWSA-N 486.973 4.347 50 10 JIGE C[C@@H]1CCN(C(=O)c2cc(I)ccc2Br)C[C@H]1Br 235346758 UORLPHHHFSBTTF-PRHODGIISA-N 486.973 4.299 50 10 JIGE COc1ccc(-c2nnc(SCC(=O)NN=C(C)c3ccccc3O)n2-c2ccccc2)cc1 254494276 MKWXCAQEAPXDSB-UHFFFAOYSA-N 473.558 4.281 50 10 JIGE Cc1ccc(N(CC(=O)NN=Cc2cccc3ccccc23)S(=O)(=O)c2ccccc2)cc1 254614631 RFEYKBBAOFTDMI-UHFFFAOYSA-N 457.555 4.494 50 10 JIGE CC(C)(C)c1ccc(OCC(=O)NN=Cc2ccc(Sc3ncccn3)c([N+](=O)[O-])c2)cc1 254625629 XJUCBVNMGZMVOF-UHFFFAOYSA-N 465.535 4.363 50 10 JIGE Cn1ncc([C@@H](Br)c2cc(Br)cc3c2OCC3)c1Br 381869921 FZPGFUVJPICAGO-NSHDSACASA-N 450.956 4.364 50 10 JIGE CCN(CC)c1ccc(C=NNC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)cc1 1083950184 PTFBAYKLXQRDHD-UHFFFAOYSA-N 492.645 4.495 50 10 JIGE COc1cc([N+](=O)[O-])ccc1-n1nc(C)c(C=NNC(=O)[C@@H](C)SCc2ccccc2)c1C 1084180736 FSMWBJXWIFZNMI-QGZVFWFLSA-N 467.551 4.178 50 10 JIGE CC(CCc1ccccc1)=NNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1 1084194463 IUXLMFSDXDJVLV-UHFFFAOYSA-N 463.603 4.311 50 10 JIGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(C)c(C(=O)c3ccccc3)c2)cc1 1467173714 YXPBENYESHUXAT-GOSISDBHSA-N 459.502 4.049 50 10 JIGE Cc1cccc(C)c1OCc1nnc(SCC(=O)N2CC=C(C#N)CC2)n1-c1ccccc1 1596416414 BSLFLJYSSUZHHL-UHFFFAOYSA-N 459.575 4.238 50 10 JIGE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=S)Nc1ccc(CCCC)cc1 1628636038 XFBSXAPUKOOAMV-QGZVFWFLSA-N 455.024 4.383 50 10 JIGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@H](c2ccc(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865705755 DUAZUHAHEKCWTA-XMMPIXPASA-N 496.523 4.489 50 10 JIGE COc1ccc(Cl)cc1-c1csc(/C(C#N)=C(\O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)n1 1872758667 KREVIJAXRWBBAX-VLGSPTGOSA-N 496.888 4.469 50 10 JIGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC1CC(Br)C1 1881372651 GNKMEADEMRUATL-FHERZECASA-N 457.368 4.203 50 10 JIGE CN(CCN(Cc1ccccc1)S(=O)(=O)CCCCBr)Cc1ccccc1 1882228581 PJFZBPZJSMZXQU-UHFFFAOYSA-N 453.446 4.126 50 10 JIGE O=C(NC1(C(=O)N[C@H]2C[C@@H](Br)C2)CC1)OCC1c2ccccc2-c2ccccc21 1890630583 BXCMOEDOVVAZPC-GASCZTMLSA-N 455.352 4.100 50 10 JIGE C[C@H](CCCCCI)NS(=O)(=O)[C@H]1C[C@H](OCc2ccccc2)C1 2006096349 DBASIXRPQGFVIC-KBAYOESNSA-N 465.397 4.038 50 10 JIGE O=S1(=O)CCC[C@@H]([C@@H](Br)c2cc(Br)ccc2Br)C1 2029373188 ASXJECGDBLMVNS-PRHODGIISA-N 461.013 4.472 50 10 JIGE O=C(Cl)c1cc(I)c(Br)c(I)c1 2059979521 IPUPIWCHLWOHKA-UHFFFAOYSA-N 471.257 4.037 50 10 JIGE Cc1cnc(F)cc1-n1nc(CBr)c(I)c1C(F)(F)F 2078916937 ZJVBMWZWHISQLI-UHFFFAOYSA-N 463.998 4.233 50 10 JIGE O=C(NC[C@H](CCl)C1CCC1)c1ccc(Br)cc1I 2142279094 LTYFWHBCGBKKCN-JTQLQIEISA-N 456.549 4.439 50 10 JIGE Cc1cc(C(=O)N2CCC(F)(F)[C@@H](CBr)C2)ccc1I 2207101606 GXLIGZJINMYFBH-NSHDSACASA-N 458.084 4.092 50 10 JIGE COc1ccc(C(C#N)=Cc2ccc(OC(=O)CCN3C(=O)c4ccccc4C3=O)cc2)cc1OC 2320506680 PDOCDQJZJMKJHF-UHFFFAOYSA-N 482.492 4.360 50 10 JIGE CCOc1cc(C=C(C#N)c2nc(O)c3cc(OC)c(OC)cc3n2)cc(Br)c1O 2331042442 AQZXKPQCWCYSKN-UHFFFAOYSA-N 472.295 4.284 50 10 JIGE CC1(C)CO[C@H](CBr)CN1Cc1ccc(Cl)cc1I 2341039711 AGPKYWXCVUWWQS-GFCCVEGCSA-N 458.565 4.319 50 10 JIGE Cc1ccc(O[C@@H](C)C(=O)NNC(=S)NC(=O)c2ccccc2OCCc2ccccc2)cc1C 10154429 OREFDPXODIAICI-FQEVSTJZSA-N 491.613 4.028 50 10 JIGE Cc1cc(Cl)ccc1OCC(=O)NNC(=O)c1cc(Br)ccc1OCC(C)C 14666947 HEQODCYEAUPSJT-UHFFFAOYSA-N 469.763 4.286 50 10 JIGE CCCOc1c(Br)cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1OCC 23085507 NFMVJUKQEKPOTB-CIAFOILYSA-N 450.289 4.309 50 10 JIGE N#C/C(=C/c1cc2c(cc1Br)OCO2)C(=O)Nc1cccc(Br)c1 35333044 NBKOBMFFHDIOMG-WCIBSUBMSA-N 450.086 4.486 50 10 JIGE COc1ccc2cc(Br)ccc2c1CC(=O)NNC(=O)c1ccc(Br)cc1 35550848 JNMUZFSNMADLCA-UHFFFAOYSA-N 492.167 4.377 50 10 JIGE N#CC1=C(N)Oc2cc(OC(=O)[C@H]3COc4ccccc4O3)ccc2[C@H]1c1cccc(Cl)c1 38687681 QEEJRELKFLVASG-DHIUTWEWSA-N 460.873 4.304 50 10 JIGE O=C(NNc1ncnc(Nc2ccc(F)c(F)c2)c1[N+](=O)[O-])c1ccc(Cl)cc1Cl 40658818 ARGVQUZJKSYNOT-UHFFFAOYSA-N 455.208 4.470 50 10 JIGE O=C(N/N=C1/C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21)[C@H](O)c1ccccc1 59165465 GSLOIUFLKXBYLA-OHQITXMPSA-N 461.521 4.377 50 10 JIGE C=CCNC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(C)c(C)c2)C(=O)N1c1ccc(OCC)cc1 101241820 KEGZQRFDEYDZFG-YDYXIROLSA-N 461.587 4.431 50 10 JIGE COc1ccc(/C=N/NC(=O)c2nc(Cl)c(Cl)c(N)c2Cl)cc1Br 169927998 YAYCXZNNBZQIRO-DENHBWNVSA-N 452.523 4.159 50 10 JIGE C[C@H]1CN(C(=O)CN2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)C(C)(C)CCl 245327075 IQMBVRQFDCUCOW-GAJHUEQPSA-N 492.060 4.159 50 10 JIGE CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2cn(C)c3ccccc23)cc1 254702621 WONBFPYKYVUXAM-QFEJOQHDSA-N 465.557 4.166 50 10 JIGE CCOc1ccc(C=NNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)cc1O 254838508 PUKLXXRUEKSULO-UHFFFAOYSA-N 473.558 4.281 50 10 JIGE CCC(C)(C)C(=O)O[C@@H]1CC(C)=CC2=C[C@H](OO)[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21 255974613 GORLEWXBBZEXHV-DUKFBVDRSA-N 450.572 4.198 50 10 JIGE Cc1nnc(CC(CBr)(CBr)c2ccccc2Br)n1C 689488828 QFYUWACSNQRDDT-UHFFFAOYSA-N 466.015 4.156 50 10 JIGE O=C(c1ccc(Br)cc1Br)N1CCS[C@H](CBr)C1 720064597 OYEKPPUSVCBTGW-SECBINFHSA-N 458.013 4.164 50 10 JIGE Cc1ccc(C)c(OCC(=O)NNC(=O)c2ccccc2-c2ccc(Cn3cccn3)cc2)c1 1087524061 MUEAGLUOHHODJN-UHFFFAOYSA-N 454.530 4.055 50 10 JIGE O=C(COc1ccc(Br)cc1Br)NN=Cc1ccc(Br)o1 1772752576 WZGFTLVKZXUPOP-UHFFFAOYSA-N 480.938 4.096 50 10 JIGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)cc1O 1865682263 KMBDPKOFNOSFHD-QGZVFWFLSA-N 460.387 4.022 50 10 JIGE CC[C@H](Br)CN(Cc1ccccc1)Cc1ncc(I)cn1 1893722401 LHYXWIRKGMDMST-AWEZNQCLSA-N 460.157 4.257 50 10 JIGE BrC[C@H]1CCCCN(c2ncc(I)cc2Br)C1 2015758725 LMVWDAZXOCCWMH-SECBINFHSA-N 473.978 4.450 50 10 JIGE O=C(c1cc(Br)ccc1Br)N1C[C@H](Br)[C@@H](Br)C1 2019466267 KYHFGCQMDRBDCX-UWVGGRQHSA-N 490.815 4.194 50 10 JIGE C[C@]1(NC(=O)c2ccc(I)c(Br)c2)CCC[C@@H]1Br 2062594335 PRHINUUGVLDKLS-AAEUAGOBSA-N 486.973 4.490 50 10 JIGE Oc1c(F)cccc1Cn1nc(CBr)c(I)c1C(F)(F)F 2079245309 BGXLFJGQEXFVAK-UHFFFAOYSA-N 479.009 4.294 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@@H]2[C@H](CBr)C[C@H]2C1 2117681434 LRGXAEXXFBHVLY-HOTUBEGUSA-N 498.984 4.157 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)NCC[C@H](Br)C2CC2)cc1Br 2146610140 OXQSFXLOBCSPRC-JTQLQIEISA-N 490.055 4.362 50 10 JIGE O=C(N[C@H](CBr)C[C@H]1CCOC1)c1cc(Br)cc(Br)c1 2195480200 WTEXPMRJQXKSMD-RNCFNFMXSA-N 469.999 4.132 50 10 JIGE O=S1(=O)CCC[C@H]1[C@H](Br)Cc1cc(Br)cc(Br)c1 2263519495 SHBGYYGUWQNBOW-NEPJUHHUSA-N 461.013 4.095 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N[C@@H]1C[C@H](CBr)[C@H]2C[C@H]21 2295311659 NKVIBSJFVSTMHP-ICGCDAGXSA-N 466.011 4.290 50 10 JIGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)SC2=C(C#N)C(=O)NC)cc1 2314592763 BGAKDQBQXJBTCK-LJQANCHMSA-N 486.391 4.020 50 10 JIGE CCN(C[C@@](C)(CI)OC[C@@H]1CO[C@]2(C)C[C@H]1C2)C(=O)OC(C)(C)C 2318558322 TWWZFBYAWUIFIX-ILRDRHFLSA-N 467.388 4.269 50 10 JIGE O=S(=O)(N[C@@H](CCBr)COCc1ccccc1)c1ccc(F)cc1Br 2320403956 UYPIONBFTZIBRB-HNNXBMFYSA-N 495.208 4.237 50 10 JIGE COc1cc(C=NNC(=O)CCc2nc3ccccc3[nH]c2=O)ccc1OCc1cccc(Cl)c1 2321685110 DTKUANFKXUZKFT-UHFFFAOYSA-N 490.947 4.247 50 10 JIGE CN(C1CCC(CBr)CC1)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364215795 XDBFJCXHBNOHBM-UHFFFAOYSA-N 499.471 4.058 50 10 JIGE CCCC(=O)Nc1ccc(C(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 12578828 NUNMUBXLYFDQOK-UHFFFAOYSA-N 452.338 4.352 50 10 JIGE O=C(COc1ccc(Cl)cc1Cl)NNC(=O)c1cccc(OCCOc2ccccc2)c1 14040891 NKISXJQNBAPUDW-UHFFFAOYSA-N 475.328 4.291 50 10 JIGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)cc(C)c4)ccc32)cc1 38683584 BVBLRKDAZBNJQU-SANMLTNESA-N 484.508 4.293 50 10 JIGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)S/C2=C(/C#N)C(=O)NC)cc1 101240673 BGAKDQBQXJBTCK-ODXGNSPJSA-N 486.391 4.020 50 10 JIGE COCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C1=O 101335709 OSFTWIGEMHBTHD-LDADJPATSA-N 455.308 4.338 50 10 JIGE COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OC(=O)/C(C#N)=C/c1ccccc1 206397418 AJUGYIKHUILAEG-IFTRTGPOSA-N 463.493 4.431 50 10 JIGE O=S(=O)(N[C@@H]1CCCC[C@@H]1CBr)c1cc(Br)ccc1Br 231622098 WJJSWVYSSOHFPH-BXKDBHETSA-N 490.055 4.444 50 10 JIGE COc1cc(Br)ccc1OCC(=O)NN=Cc1cc(Cl)cc(Br)c1O 252593020 BHYAIPPYFHOKKB-UHFFFAOYSA-N 492.551 4.108 50 10 JIGE COc1cc(-c2nc3ccc(C(=O)NN)cc3[nH]2)ccc1OCc1ccc(Br)cc1 256048831 WLUATYGLAJDPIZ-UHFFFAOYSA-N 467.323 4.184 50 10 JIGE O=C(N[C@H](CBr)C1CCCCC1)c1cc(I)ccc1O 386326860 ZJODTTRKNAICRN-CYBMUJFWSA-N 452.130 4.070 50 10 JIGE CC(C)(C)N(CCBr)S(=O)(=O)c1cc(Br)ccc1Br 690994519 BVZVYJHPLJSPCO-UHFFFAOYSA-N 478.044 4.396 50 10 JIGE CN(C(=O)c1cc(Br)ccc1I)[C@H]1CCC[C@H]1Br 709269666 XHZARRGLYUMELE-PWSUYJOCSA-N 486.973 4.442 50 10 JIGE Cn1cc(C(=O)NNC(=O)NCc2ccccc2-c2ccc(Cn3cccn3)cc2)c2ccccc21 727172524 IKCWPPKZENAHRB-UHFFFAOYSA-N 478.556 4.234 50 10 JIGE Cc1occc1C(=O)NC1CCN(C(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3F)c2C)CC1 727332246 DGLGTLXOGYPSTO-QNGOZBTKSA-N 474.536 4.463 50 10 JIGE CCOc1ccc(C=NNC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)cc1 1083862202 VYEVFDJUKIRSMD-UHFFFAOYSA-N 465.575 4.048 50 10 JIGE CC(C)(C)c1ccc(C=c2sc3n(c2=O)C(N)=C(C#N)[C@@H](c2ccc(C(C)(C)C)cc2)C=3C#N)cc1 1083999094 KZSOBEWKWOJBJP-RUZDIDTESA-N 494.664 4.456 50 10 JIGE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1cc(OC)c(OC)c(OC)c1)C(C#N)=C(N)O2 1865692784 PGKDGAMSGAQVLZ-HXUWFJFHSA-N 466.925 4.332 50 10 JIGE CSCC[C@@H](NC(=O)c1nc(C2CC2)n2ccccc12)C(=O)Nc1ccc(SC#N)cc1 1866860320 DRZIIANZCDOYIW-GOSISDBHSA-N 465.604 4.275 50 10 JIGE CC[C@](C)(NC(=O)c1cc(-c2ccc(F)c(F)c2)[nH]n1)C(=O)Nc1ccc(SC#N)cc1 1867094885 ZDMWXTJTNHFGHC-QFIPXVFZSA-N 455.490 4.465 50 10 JIGE C[C@@H]1CC[C@@](CBr)(NS(=O)(=O)c2cc(Cl)c(Br)s2)C1 1880884505 CFYBDHSDYXPSSO-RDDDGLTNSA-N 451.633 4.396 50 10 JIGE O=C(N[C@@H]1CC[C@H](Br)C1)c1ccc(Br)cc1I 2026212980 WYIPZCJTGDCRDP-IONNQARKSA-N 472.946 4.100 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@@H](CCl)C2(CC2)C1 2087795740 RSQFYOGXIDKTDS-SECBINFHSA-N 454.533 4.145 50 10 JIGE O=S1(=O)CC[C@@H]([C@@H](CBr)Cc2c(Br)cccc2Br)C1 2094095449 MGHJFBCWZVTSJB-NXEZZACHSA-N 475.040 4.200 50 10 JIGE O=C(N[C@@H]1C[C@H](CBr)[C@H]2C[C@@H]21)c1ccc(Br)cc1Br 2110550492 SPWPYYOPAQTHRE-DRYIUFOISA-N 451.984 4.361 50 10 JIGE CN(C(=O)c1ccc(I)c(O)c1)[C@@H]1CCCCC[C@@H]1Br 2172549095 YGTSOAGFTINREV-WCQYABFASA-N 452.130 4.165 50 10 JIGE C[C@H]1CCN(Cc2ccccc2)CCN1S(=O)(=O)Cc1ccc(CBr)cc1 2179787512 QAOLHAVWFNZWQS-SFHVURJKSA-N 451.430 4.008 50 10 JIGE CN(Cc1cnn(Cc2ccccc2)c1)S(=O)(=O)c1ccc(CBr)cc1Cl 2179791592 SZTJAUSPOBCDPM-UHFFFAOYSA-N 468.804 4.300 50 10 JIGE C[C@H]1CC(F)(F)CCN1S(=O)(=O)c1cc(CBr)sc1Br 2179791785 WKKBPOXXEUPUPK-ZETCQYMHSA-N 453.168 4.214 50 10 JIGE C[C@@]12CN(Cc3ccccc3)C[C@]1(C)CN(S(=O)(=O)c1cc(CBr)cs1)C2 2179810980 IIUZGLJRKJAYFE-BGYRXZFFSA-N 469.470 4.176 50 10 JIGE Cc1sc(CBr)cc1S(=O)(=O)N1C[C@H]2C[C@@H](CN(Cc3ccccc3)C2)C1 2179813522 XDUGAGWVMVEEQL-ROUUACIJSA-N 469.470 4.094 50 10 JIGE O=S(=O)(c1csc(CBr)c1)N1CC[C@@]2(CCCN(Cc3ccccc3)C2)C1 2179826884 YCDPNYBOLXZNFN-HXUWFJFHSA-N 469.470 4.320 50 10 JIGE FC(F)(F)c1cnc(N2C[C@@H]3CC[C@@]3(CBr)C2)c(I)c1 2198864412 DCTRCFILFINOOL-QPUJVOFHSA-N 461.063 4.316 50 10 JIGE O=S1(=O)CC[C@@H]1[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2260082695 GQFMNMQMJYNWIQ-HTRCEHHLSA-N 468.939 4.113 50 10 JIGE CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(C(=O)O)cc2)cc1 8386071 WBMKKEJCMLVKLI-WBSLVUJQSA-N 484.556 4.152 50 10 JIGE O=C(CCC(=O)Nc1ccccc1Cl)NNC(=S)NC(=O)c1ccc(-c2ccccc2)cc1 12500714 MIEXVHZDFARURL-UHFFFAOYSA-N 480.977 4.061 50 10 JIGE CCCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(NC(=O)CCC)cc1 14649806 RBPOTIDJWDUNMJ-UHFFFAOYSA-N 476.371 4.441 50 10 JIGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)NCCc3ccccc3)c(Oc3ccc(F)cc3)nc12 34847015 FCUYUWOUHZBJEB-SILNSSARSA-N 468.488 4.200 50 10 JIGE O=C(N/N=C1\C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21)c1ccc(F)cc1 59166193 KIHOOAQABTXYMT-QOMWVZHYSA-N 470.273 4.408 50 10 JIGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C1\C(=O)N(C)c2ccc(Br)cc21 59166998 MZGYIDDZLKBSBS-REZXJKQWSA-N 471.138 4.020 50 10 JIGE C=CCNC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(C)c(C)c2)C(=O)N1c1ccc(OCC)cc1 101241825 KEGZQRFDEYDZFG-YMGIJWJESA-N 461.587 4.431 50 10 JIGE COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OC(=O)/C(C#N)=C\c1ccccc1 206397382 AJUGYIKHUILAEG-WYABZLQBSA-N 463.493 4.431 50 10 JIGE CC(CCl)(CCl)NC(=O)c1cc(Br)ccc1I 232764808 NDRUEKOBDNPOPD-UHFFFAOYSA-N 450.929 4.020 50 10 JIGE O=S1(=O)CCC[C@H]1[C@@H](Br)c1cc(Br)sc1Br 694702292 RLUPHSIQQUDQSH-XPUUQOCRSA-N 453.015 4.286 50 10 JIGE C[C@@H]1C[C@@H](Br)CN1C(=O)c1ccc(I)c(Br)c1 721576353 FRIGOEMCFMBXCY-VXNVDRBHSA-N 472.946 4.052 50 10 JIGE CCN(CC)c1c(C=NNC(=O)CCCSc2ccccn2)c(C)nn1-c1ccccc1 1084058493 KRJGRCVAFZLNHS-UHFFFAOYSA-N 450.612 4.445 50 10 JIGE Cc1nn(-c2ccccc2)c(N2CCOCC2)c1C=NNC(=O)CCCNc1ccc(Cl)cc1 1084525174 XCOACVYHMFUXGN-UHFFFAOYSA-N 481.000 4.013 50 10 JIGE NC(=O)Cn1cc(C=NNC(=O)c2cc(Cl)ccc2OCc2cccc(F)c2)c2ccccc21 1084533059 UDEZLSVJBZSNLU-UHFFFAOYSA-N 478.911 4.262 50 10 JIGE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NNc2ccccc2Oc2ccccc2)cc1 1622886580 LAHXOPIFJDFQJG-UHFFFAOYSA-N 452.536 4.434 50 10 JIGE CC(=O)N[C@@H](C(=O)NNc1nc2ccc(Cl)cc2s1)c1cccc(Br)c1 1630458545 HHZQUNHTNQQKJQ-OAHLLOKOSA-N 453.749 4.033 50 10 JIGE C#CCOc1ccccc1NC(=O)NNC(=O)c1ccc(COc2ccc(OCC)cc2)cc1 1668939016 NTDWVTBYVJYJNW-UHFFFAOYSA-N 459.502 4.143 50 10 JIGE Cc1nn(CC(C)C)c2c1[C@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865701055 KPMCOICOKQRLNH-OAHLLOKOSA-N 482.176 4.296 50 10 JIGE COCCOc1ccc(/C=C(\C#N)C(=O)N[C@@H]2CCCc3c2c(C)nn3Cc2ccccc2)cc1 1866214043 OZNWTDQBQUVJPW-LBKCIFGTSA-N 470.573 4.366 50 10 JIGE CCOC(=O)Cc1cc(I)c(CBr)c(C(F)(F)F)c1 2055267390 DTBPPZLSVMHPBD-UHFFFAOYSA-N 451.020 4.311 50 10 JIGE CN(C(=O)c1cc(Br)ccc1I)C1CC(CBr)C1 2073300019 RAGPJPLPIXMRSK-UHFFFAOYSA-N 486.973 4.299 50 10 JIGE CC[C@@H](Br)[C@H]1CCCCN1C(=O)c1ccc(I)c(O)c1 2170612108 GQFLJMZUXHKUNU-DGCLKSJQSA-N 452.130 4.165 50 10 JIGE COc1cc(Br)c(C(=O)N(C)C[C@@H](Cl)COCc2ccccc2)cc1OC 2189042462 GYFLDAIAIIGPMZ-OAHLLOKOSA-N 456.764 4.363 50 10 JIGE O=C1c2ccccc2C(=O)N1C[C@@H](Br)Cc1c(F)cc(F)cc1Br 2209519069 HUJJUHHTFMFDJV-VIFPVBQESA-N 459.084 4.330 50 10 JIGE CCOCCCNC(=O)C(C#N)=Cc1c(Oc2ccc(Cl)c(C)c2)nc2c(C)cccn2c1=O 2296543592 ORRAETAMWMOBOM-UHFFFAOYSA-N 480.952 4.207 50 10 JIGE COc1ccccc1NC(=O)C(C#N)=Cc1c(Oc2ccc(F)cc2)nc2ccccn2c1=O 2314532208 HEVJTGFMEMSJCW-UHFFFAOYSA-N 456.433 4.180 50 10 JIGE CCCOc1ccccc1C=C(C#N)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 2314773766 AEIWNVXZXCKLEK-UHFFFAOYSA-N 468.560 4.278 50 10 JIGE CCCCOc1ccccc1C=CC(=O)Oc1ccc(C=C(C#N)C(=O)N2CCOCC2)cc1OC 2314795838 WBOFGKRZTKSDQJ-UHFFFAOYSA-N 490.556 4.259 50 10 JIGE FC(F)(F)c1cnc(N2C[C@H]3CC[C@H]2C[C@H]3Br)c(I)c1 2362300791 ROMZIPGQPIKSRR-FKTZTGRPSA-N 461.063 4.457 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1CC[C@@H](C(F)(F)CBr)C1 2365588702 MZRFMNQVDVJUGG-MRVPVSSYSA-N 478.502 4.437 50 10 JIGE COc1ccc(/C(C)=N\NC(=O)c2ccc(N/N=C(/C)c3ccc(OC)cc3O)cc2)c(O)c1 12562371 CGQNJQSOXVRKCW-FHOIBDKLSA-N 462.506 4.105 50 10 JIGE CC(C)COc1ccccc1C(=O)NC(=S)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 14035358 YOOLSIOOGPBURA-ZDUSSCGKSA-N 484.405 4.131 50 10 JIGE Cc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)cc1Br 14644390 IAEYZLSMYGIWID-SNVBAGLBSA-N 490.579 4.402 50 10 JIGE CCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1 14654950 NGPZEWVVFYJQMJ-UHFFFAOYSA-N 496.361 4.483 50 10 JIGE CCOc1ccc(Br)cc1C(=O)NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1 14655102 CAXAFWQFPUESRK-CQSZACIVSA-N 457.324 4.230 50 10 JIGE COc1cc(/C=N/NC(=O)COc2ccc(C)cc2Br)cc(Br)c1OC 40911955 DRADARNRMQROFK-ZVBGSRNCSA-N 486.160 4.066 50 10 JIGE CCOC(=O)/C(C#N)=C/c1cccc(OC(=O)COc2ccc(Br)cc2CC)c1 40944709 YWEGSQMEWXQOAD-LICLKQGHSA-N 458.308 4.466 50 10 JIGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCC#N)c(Br)c2)cc1 58893836 UIPGKYLERHUASD-YCCHBACSSA-N 494.773 4.367 50 10 JIGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)N1CCCC1)[C@@H]2Br 100869242 SJUJLTNZFYWCRD-IIMNLJJBSA-N 458.032 4.295 50 10 JIGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1c(OC)cccc1OC 206675669 LYLQKEUNHNWYFH-AQTBWJFISA-N 476.485 4.138 50 10 JIGE Cc1cccc(OCC(=O)NN=C2C(=O)N(CN3CCCC[C@@H]3c3cccnc3)c3ccccc32)c1C 254393361 HLNVAEWPAOGSRT-XMMPIXPASA-N 497.599 4.129 50 10 JIGE C[C@@H]1C[C@@H](CCl)CN(C(=O)c2cc(Br)ccc2I)C1 398614657 BQQZXPVZPLAETE-ZJUUUORDSA-N 456.549 4.391 50 10 JIGE Cc1nc(CC(CBr)(CBr)c2cccc(Br)c2)n(C)n1 689561145 CACLDTKIADQCJF-UHFFFAOYSA-N 466.015 4.156 50 10 JIGE C[C@@H]1CCN(C(=O)c2cc(Br)ccc2I)C[C@@H]1CCl 700414671 KAIMRPJHYSSSFR-ZJUUUORDSA-N 456.549 4.391 50 10 JIGE C[C@@H](COCc1ccccc1)CC(CBr)(CBr)[C@@H]1CCS(=O)(=O)C1 719435634 BTHYFBHPPHQNBP-NVXWUHKLSA-N 482.278 4.440 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CCS[C@H](CCCl)C1 720036515 YMOFPOJIHGVRIA-SNVBAGLBSA-N 474.589 4.240 50 10 JIGE O=C(N[C@H]1CCCC[C@H]1Br)c1ccc(I)c(Br)c1 721570689 ASCXOSAEOBNECI-SKDRFNHKSA-N 486.973 4.490 50 10 JIGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2cc(O)ccc2[N+](=O)[O-])C1 725403878 ZYVAQNRLAXUIEL-PBHICJAKSA-N 482.274 4.088 50 10 JIGE Cc1cc(/C=C(/C#N)C(=O)N2CCC[C@H](CN3CCCCCC3)C2)c(C)n1C[C@@H]1CCCO1 728530053 BRBRYTDNBNGZAJ-DWAZREFSSA-N 452.643 4.306 50 10 JIGE Cc1cc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)NCc2cccs2)c(C)n1-c1ccc(F)cc1 729350463 CHNQJXKXNICXMN-UEXNTNOUSA-N 451.523 4.450 50 10 JIGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)NN=C(C)c1ccccc1O 1083894256 VZXQIMYJTVLSPO-INIZCTEOSA-N 485.013 4.456 50 10 JIGE Cc1cc2ncn(CC(=O)NN=C3C(=O)N(C/C=C/c4ccccc4)c4ccccc43)c2cc1C 1083905413 BCBFFGSBQTYOSP-GBMIIFEWSA-N 463.541 4.234 50 10 JIGE COc1cc([N+](=O)[O-])ccc1-n1nc(C)c(C=NNC(=O)Cc2cccc3ccccc23)c1C 1084005500 UQPDIADFYFUESK-UHFFFAOYSA-N 457.490 4.252 50 10 JIGE C=CCOc1ccc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1Br 1084413637 USAYTJUCDQGUAP-HXUWFJFHSA-N 461.356 4.377 50 10 JIGE CC(=O)N1CCN(C(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)[C@@H](C)C1 1543903036 OPQOCTMYCZWGQP-YODDIOPGSA-N 458.484 4.099 50 10 JIGE O=[N+]([O-])c1ccc([C@@H]2CN(Cc3ccccc3)C[C@@H]2CI)c([N+](=O)[O-])c1 1614701507 KXHFFFKXQIPRIE-WMLDXEAASA-N 467.263 4.154 50 10 JIGE C#C[C@@H](NC(=O)NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)C1CCOCC1 1687123819 LXOOTWDSXGNUDX-OAQYLSRUSA-N 457.983 4.005 50 10 JIGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CNC(=O)OCc3ccccc3)cc2)cc1 1858679981 WYQPLOUQBSCJNX-UHFFFAOYSA-N 496.570 4.197 50 10 JIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(C)cc2)ccc1O 1865706354 UQAKWTQPRFSXSY-GOSISDBHSA-N 456.424 4.191 50 10 JIGE COc1c(Br)c(C(=O)N(CCCl)CCCl)c(Br)c(OC)c1OC 1866303761 KMHGCCIDWQJABQ-UHFFFAOYSA-N 494.007 4.157 50 10 JIGE N#C/C(=C\c1ccc(Br)cc1)C(=O)N1CCN(CCc2c[nH]c3ccccc23)CC1 1866367938 OOKJUKIQSUIOKD-HMMYKYKNSA-N 463.379 4.224 50 10 JIGE CC(C)(C)OC(=O)N[C@H](CBr)[C@@H]1COC2(CCN(C(=O)OC(C)(C)C)CC2)C1 1885094473 VCIXMIIOBGBELX-LSDHHAIUSA-N 463.413 4.081 50 10 JIGE BrC[C@]1(Cc2ccc(I)c(Br)c2)CCOC1 1904344742 XZSNGPMSIBZAGP-GFCCVEGCSA-N 459.947 4.398 50 10 JIGE O=C(N[C@@H]1CC[C@H](Br)C1)c1ccc(I)c(Br)c1 2008598791 RWBHDULUXUPDAB-DTWKUNHWSA-N 472.946 4.100 50 10 JIGE C[C@@H](Br)c1ccccc1NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2089707024 JERVBRROTBJBGO-OAHLLOKOSA-N 479.396 4.351 50 10 JIGE CSCC[C@H](Br)CCNC(=O)c1cc(I)ccc1F 2113351737 SKRUCVJBZMBZFY-SECBINFHSA-N 460.150 4.067 50 10 JIGE CCCN1CC[C@H]([C@H](Cl)c2cc(I)ccc2Br)S1(=O)=O 2145769903 KOCDXTMRVBTVHW-CHWSQXEVSA-N 492.604 4.148 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N[C@H]2CC[C@@H](CBr)C2)cc1Br 2146224116 LNSFHMVORVISLY-ZJUUUORDSA-N 490.055 4.362 50 10 JIGE O=S(=O)(c1cc(CCl)oc1Br)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 2163341545 LNWNXJCJLUBELJ-IBGZPJMESA-N 473.820 4.068 50 10 JIGE CC1(C)CC(CBr)(NS(=O)(=O)c2cc(Br)ccc2Br)C1 2163542034 MFDFYZRYFMNNGJ-UHFFFAOYSA-N 490.055 4.444 50 10 JIGE COc1nn(C)cc1COc1c(Br)cc(CBr)cc1Br 2167897105 CZNFLNRLDUJVEL-UHFFFAOYSA-N 468.971 4.428 50 10 JIGE Cc1ccc(CBr)cc1S(=O)(=O)N1CCCN(Cc2ccccc2)C[C@H]1C 2179788183 ZDPFGJJWLGQGAH-GOSISDBHSA-N 451.430 4.175 50 10 JIGE C[C@H]1C[C@H](N(C)S(=O)(=O)c2ccc(F)c(CBr)c2)CN1Cc1ccccc1 2179791889 XWDVRZJKBDZEFM-YJBOKZPZSA-N 455.393 4.004 50 10 JIGE Cc1sc(CBr)cc1S(=O)(=O)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 2179815595 FRCGXOCUEXICIL-FQEVSTJZSA-N 469.470 4.238 50 10 JIGE O=S(=O)(c1ccsc1CBr)N1CCN(Cc2ccccc2)C[C@H]1C(F)(F)F 2186714246 FEJQHSSNDABZBJ-INIZCTEOSA-N 483.375 4.080 50 10 JIGE C[C@H](NC(=O)c1cc(Br)ccc1I)c1nnc(CCl)s1 2192615558 MCGCSOHXHULTCU-LURJTMIESA-N 486.560 4.135 50 10 JIGE C[C@H]1C[C@@H](CBr)CN(C(=O)c2ccc(Cl)c(I)c2)C1 2268354514 CGDQNGFCIVDIOW-UWVGGRQHSA-N 456.549 4.438 50 10 JIGE Cc1cccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)NCc2ccccc2)c1C 2296543428 AMQRISRSUSSOQF-UHFFFAOYSA-N 450.498 4.327 50 10 JIGE C=CCOc1ccc(C=C2C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1OCC 2314620418 PQNOPPJLOINIBW-UHFFFAOYSA-N 472.541 4.494 50 10 JIGE C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)NN=Cc4ccc(C(F)(F)F)cc4)c(=O)c23)C1 2325903186 DDOMPHDTEJGGMG-QWHCGFSZSA-N 462.497 4.313 50 10 JIGE O=C(c1csc(I)c1)N1C[C@H]2CCC[C@](CBr)(C2)C1 2332618801 CPJXAWAFQRIEDE-IINYFYTJSA-N 454.171 4.380 50 10 JIGE CC[C@@H](C)c1ccccc1O[C@@H](C)C(=O)NNC(=O)c1ccccc1I 9871069 YLMBSPPROKSLBM-KGLIPLIRSA-N 466.319 4.033 50 10 JIGE CCCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(OCc2ccccc2)cc1 14032468 ZUOINABRPHYTIC-UHFFFAOYSA-N 477.586 4.394 50 10 JIGE CCOC(=O)[C@H]1CCCN(c2nc3c(C)cccn3c(=O)c2/C=C(/C#N)c2nc3ccccc3s2)C1 33931491 WUJKBHUXPUXFDZ-OWBBTNHHSA-N 499.596 4.456 50 10 JIGE O=C(N/N=C1\C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc21)c1cccc2ccccc12 59157525 VWOPOGZYADLTFB-PNHLSOANSA-N 450.454 4.429 50 10 JIGE COc1cc(/C=C2\C(=N)N3N=C(c4ccc(C)cc4)SC3=NC2=O)ccc1OCCBr 102447402 GITGGHZTVKPGOJ-YMINWEEVSA-N 499.390 4.445 50 10 JIGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)NN=Cc1ccccc1O 252611525 IKHKDBXGQBTDKA-OAHLLOKOSA-N 470.986 4.066 50 10 JIGE COc1cc(-n2cc(C[C@@H](C)Br)nn2)c(Br)cc1Br 709373486 HQKCASWYCXKLSO-SSDOTTSWSA-N 453.960 4.127 50 10 JIGE C[C@H]1CCN(C(=O)c2ccc(I)c(Br)c2)C[C@@H]1CCl 721621480 PDUSMXBIVLKTOL-ONGXEEELSA-N 456.549 4.391 50 10 JIGE N#CCCn1cc(/C=C(/C#N)C(=O)OC[C@@H]2CSc3ccccc3O2)c(-c2ccccc2)n1 749080431 FUQLYDHDYXHGCB-CNSVBDKNSA-N 456.527 4.467 50 10 JIGE COCc1cccc(CNC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)c1 916063507 FMTCGDIGCFQWMN-BKUYFWCQSA-N 459.937 4.487 50 10 JIGE CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)NN=Cc2ccc(F)cc2)cc1 1084399046 BUWMLDFJMVJFSJ-UHFFFAOYSA-N 459.930 4.209 50 10 JIGE O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NN=Cc1cccc(Cl)c1 1084510232 HXTLSHYHIMDTRK-UHFFFAOYSA-N 490.412 4.377 50 10 JIGE CCOc1ccccc1NC(=O)C(=O)NN=Cc1cccc(OCc2ccc(Cl)cc2)c1 1084520509 GSCBTCGWVVPDBE-UHFFFAOYSA-N 451.910 4.407 50 10 JIGE COC(=O)c1cc(CNC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)oc1C 1318438862 GOAOFYQEKUYGMJ-YVLHZVERSA-N 477.908 4.029 50 10 JIGE Cc1cc(C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)nn1-c1ccccc1 1866841404 YQHGVBOQQJHNQR-XMMPIXPASA-N 497.580 4.439 50 10 JIGE CN(C[C@H]1C[C@H]1Br)C(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 1890631709 WXYRRSOJQHWGPX-QVKFZJNVSA-N 469.379 4.300 50 10 JIGE CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)CC2(CBr)CCCC2)C1 1959566453 GLTDNCKSCAUUIC-UHFFFAOYSA-N 467.448 4.426 50 10 JIGE O=C(Nc1cc(I)ccc1Br)C1CC(Br)C1 1991409306 QJCUHZUCTPCCJN-UHFFFAOYSA-N 458.919 4.166 50 10 JIGE CN(C[C@H]1CCC[C@H]1Br)c1ncc(I)cc1Br 2015761717 ATXKPRIBCOFUKY-PSASIEDQSA-N 473.978 4.449 50 10 JIGE Clc1ccc(I)c(CN2[C@H](CBr)C[C@@H]3OCC[C@@H]32)c1 2090533522 FWKUZTYWDAYYEQ-UBHSHLNASA-N 456.549 4.071 50 10 JIGE CCCN1CC[C@H]([C@H](Br)c2cccc(Br)c2Br)S1(=O)=O 2148760686 MVOORNUYWOEVRV-DGCLKSJQSA-N 490.055 4.462 50 10 JIGE CC(C)(C)[C@@H]1C[C@@H](CBr)CN(S(=O)(=O)[C@H]2C[C@H](OCc3ccccc3)C2)C1 2164997708 DAAOFIRSIBONNT-YRPNKDGESA-N 458.462 4.443 50 10 JIGE CN(C(=O)c1ccc(F)cc1I)C1CCC(CBr)CC1 2171113489 ZOOVLDZGFGYXNQ-UHFFFAOYSA-N 454.121 4.456 50 10 JIGE Cc1cc(S(=O)(=O)N2CC[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)sc1CBr 2179809252 RJMBRROKKOPDJJ-ZWKOTPCHSA-N 469.470 4.094 50 10 JIGE O=C(c1cccc(F)c1I)N1[C@H]2CC[C@@H]1C[C@@H](CBr)C2 2184577699 LZZCZZPPRCXLQU-RTCCRHLQSA-N 452.105 4.208 50 10 JIGE FC(F)(F)CC1(CBr)CCN(c2ncncc2I)CC1 2188333835 CLKOARUAEMIJGN-UHFFFAOYSA-N 464.067 4.015 50 10 JIGE O=C(N[C@@H](CBr)[C@H]1CC=CCC1)c1ccc(F)cc1I 2196154511 FAIIYJWYJNSSHP-HZMBPMFUSA-N 452.105 4.280 50 10 JIGE O=C(N[C@H]1COC2(CCC2)[C@H]1Br)c1cc(Br)cc(Br)c1 2206488042 XXBXURPGGJCEGF-RYUDHWBXSA-N 467.983 4.026 50 10 JIGE O=C1c2ccccc2C(=O)N1C[C@H](Cl)Cc1c(F)c(F)c(Br)c(F)c1F 2243483461 QCIWCHPBFIVTEX-SSDOTTSWSA-N 450.613 4.452 50 10 JIGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(Br)s2)sc(C(=O)N(C)C)c1C 2295556601 JRXUBJURIRNEIV-UHFFFAOYSA-N 496.408 4.305 50 10 JIGE COC(=O)c1c(NC(=O)C(C#N)=Cc2cc(Br)ccc2O)sc2c1CCCC2 2296833222 MZTBXWWYHLCIJL-UHFFFAOYSA-N 461.337 4.427 50 10 JIGE COc1ccc(C=CC(=O)Oc2ccc(C=NNC(=O)COc3cccc(C)c3C)cc2)cc1 2297499040 RUEGFGDXKFINAI-UHFFFAOYSA-N 458.514 4.460 50 10 JIGE O=C(c1c(Br)cccc1Br)N1C[C@H]2CC[C@@H](Br)[C@H]2C1 2328779441 OQARVWIASPOVDG-KXUCPTDWSA-N 451.984 4.457 50 10 JIGE O=C(Cn1c(O)nc2ccccc2c1=O)NN=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 2328809018 ZGOZZHLFKBVWIK-UHFFFAOYSA-N 497.338 4.138 50 10 JIGE O=C(c1cccc(Br)c1Br)N1C[C@H]2C[C@@H](CBr)[C@H]2C1 2330496333 LZAOPXNGTNQNGI-IQJOONFLSA-N 451.984 4.315 50 10 JIGE COc1ccc(-c2csc(C(C#N)=C(O)CNC(=O)c3cc(OC)c(OC)c(OC)c3)n2)cc1F 2331337039 SPFRRCHJRLLGSF-UHFFFAOYSA-N 499.520 4.206 50 10 JIGE O=C(N[C@H]1C[C@@H](CBr)[C@@H]2C[C@@H]12)c1ccc(Br)cc1I 2333351041 NOSCAKRKTCKVCK-CXSMTQNASA-N 498.984 4.203 50 10 JIGE Fc1cccc(Br)c1CNCC(F)(F)C(F)(F)CI 2336529615 NAWUTQUMMIOVSX-UHFFFAOYSA-N 458.006 4.383 50 10 JIGE O=C(NCC(F)(F)C(F)(F)CI)c1cc(F)ccc1Br 2361679903 RELYUYZXJZJNAX-UHFFFAOYSA-N 471.989 4.024 50 10 JIGE CCc1ccc(OCC(=O)NNC(=O)c2cc(Br)ccc2OCCc2ccccc2)cc1 14665580 WDYBJWJNJUJBKC-UHFFFAOYSA-N 497.389 4.473 50 10 JIGE O=C(/C=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)NNC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 26771278 DCXDMVIFFMZQCN-XYOKQWHBSA-N 488.412 4.497 50 10 JIGE N#C/C(=C\c1ccccc1OCC(=O)Nc1nccs1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 35519763 YEKXTHAZWLMTEL-NTEUORMPSA-N 483.893 4.268 50 10 JIGE COc1cccc(C2=CS/C(=C(/C#N)C(=O)N3CCN(C(C)=O)CC3)N2c2cccc(Cl)c2)c1 37441418 NWJMYFNJULPRGC-LVWGJNHUSA-N 495.004 4.326 50 10 JIGE COc1ccccc1NC(=O)/C(C#N)=C/c1c(Oc2ccc(F)cc2)nc2c(C)cccn2c1=O 39992979 IUBWJYKJWCZWEW-SAPNQHFASA-N 470.460 4.489 50 10 JIGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(-c3ccc(C(=O)OC)cc3)o2)cc1 58894768 PLKIOGLHNWWTFL-JMTCZITHSA-N 450.491 4.096 50 10 JIGE Cc1ccc(OCC(=O)N/N=C2\C(=O)N(Cc3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1Cl 59147615 IAJVKLMCGWIOBU-VYIQYICTSA-N 478.892 4.003 50 10 JIGE CC(=O)N1CCc2cc(Br)cc(NC(=O)N[C@@H]3CC(C)(C)C[C@](C)(CN=C=O)C3)c21 170290026 LFSQCYKMKFSYPM-VGOFRKELSA-N 477.403 4.400 50 10 JIGE CCCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(N)=O)cc2OC)cc1OC 206501530 HXLJOMALBGQVDE-INBJJMLYSA-N 464.518 4.284 50 10 JIGE CCCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C(C#N)=C\c2ccccc2OC)c(OC)c1 207134276 YTWVJPFAZADZFM-SYXXZYOVSA-N 459.502 4.040 50 10 JIGE CCCCOc1ccccc1/C=C\C(=O)Oc1ccc(/C=C(\C#N)C(=O)N2CCOCC2)cc1OC 207223268 WBOFGKRZTKSDQJ-MMDBYLLUSA-N 490.556 4.259 50 10 JIGE O=C(c1cc(I)ccc1O)N(CCBr)C1CCCCC1 236565967 BPKHJDXRGRCCIG-UHFFFAOYSA-N 452.130 4.167 50 10 JIGE Cn1cccc1C=NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 254387045 MKHGTQICNLDBHR-UHFFFAOYSA-N 469.201 4.214 50 10 JIGE Cc1ccc(-n2c(SCC(=O)NN=Cc3c[nH]c4ccccc34)nc3ccccc3c2=O)cc1 254392014 JZPGSRKXFHXNIO-UHFFFAOYSA-N 467.554 4.418 50 10 JIGE COCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)Nc2c(C(C)=O)oc3ccccc23)c1C 897567934 FVDBIGJPNHLIHX-JZQBQCRLSA-N 477.517 4.178 50 10 JIGE COc1cc2ccccc2cc1C(=O)NN=C1C(=O)N(Cc2cccc([N+](=O)[O-])c2)c2ccccc21 1084323629 NVWMVGJOQJGKQI-UHFFFAOYSA-N 480.480 4.438 50 10 JIGE CCCCCCC(=O)NCc1ccc(S(=O)(=O)NC(=O)Nc2ccc(SC#N)cc2)cc1 1858677081 DAPJHRXVWZIVDC-UHFFFAOYSA-N 474.608 4.357 50 10 JIGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@H](c2ccc(O)c([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865714100 CNRHGSVXSJBDBO-JOCHJYFZSA-N 481.468 4.380 50 10 JIGE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1cc(OC)c(O)c(OC)c1)C(C#N)=C(N)O2 1865714127 DFKDGZOPEZYQLX-HXUWFJFHSA-N 466.925 4.088 50 10 JIGE CC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@@H](CBr)C2CC2)cc1 1915171952 ICXMSDXJRPOJBB-FQEVSTJZSA-N 451.386 4.009 50 10 JIGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)c1sccc1I 1916370986 PTNJXSYFARSYLD-CYBMUJFWSA-N 494.192 4.405 50 10 JIGE Cc1cccc(C(=O)N[C@@H](CCBr)C(F)(F)F)c1I 1918538576 OJKQJZQWAUXTQX-VIFPVBQESA-N 450.036 4.045 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@H](Cl)CC2(CC2)C1 1925987528 JKDBOVRATGBKFH-SECBINFHSA-N 454.533 4.287 50 10 JIGE CC[C@H]1SC(=C(C#N)C(=O)NCCc2ccccc2)N(c2ccc(Br)cc2)C1=O 2040532190 QHYWOICFAGIUNG-LJQANCHMSA-N 470.392 4.402 50 10 JIGE FC(F)(F)c1c(I)c(CBr)nn1C1CCSCC1 2079257689 QVFCTGIPRFXOJM-UHFFFAOYSA-N 455.081 4.470 50 10 JIGE C[C@H]1CCN(C(=O)c2ccc(Br)cc2I)C[C@@H]1Br 2086146768 FDQNZPHMJCMDPQ-KWQFWETISA-N 486.973 4.299 50 10 JIGE O=S(=O)(c1ccc(CBr)cc1Cl)N1CCCN(Cc2ccccc2)CC1 2123208058 CLJKRKBBHFYCKF-UHFFFAOYSA-N 457.821 4.132 50 10 JIGE CC1(C)CN(S(=O)(=O)c2ccc(CCl)c(Br)c2)CCN1Cc1ccccc1 2144840563 BMHIHBBKYRDGHD-UHFFFAOYSA-N 471.848 4.473 50 10 JIGE CC[C@H]1CN(S(=O)(=O)Cc2cccc(CBr)c2)CCN1Cc1ccccc1 2179788604 FDONFPTXTPTZFW-NRFANRHFSA-N 451.430 4.008 50 10 JIGE COCCCCN(Cc1ccccc1)S(=O)(=O)c1cc(CBr)ccc1OC 2179858215 LNYYNPHXBDFLET-UHFFFAOYSA-N 456.402 4.208 50 10 JIGE Cc1cc(C)c(S(=O)(=O)N2CCN(Cc3ccccc3)C[C@H]2C)cc1CBr 2179860070 MSBKBKCSKRXVBA-GOSISDBHSA-N 451.430 4.093 50 10 JIGE O=C(c1csc(Br)c1Br)N1C[C@@H]2OCCC[C@@]2(CBr)C1 2238798071 VDHMZDWJLPATGA-TVQRCGJNSA-N 488.039 4.289 50 10 JIGE Cc1nn(C)c([C@@H](Br)c2cc(I)cc3c2OCC3)c1Cl 2240918391 DCZLYYOJCQZWHE-NSHDSACASA-N 467.532 4.406 50 10 JIGE O=C(c1sccc1I)N1CCC(CBr)(C(F)F)CC1 2274202514 STDZQCVJOGJVSZ-UHFFFAOYSA-N 464.113 4.235 50 10 JIGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)NCc3ccccc3)c(Oc3ccccc3F)nc12 2296721756 PIXJYGXXBOPRQA-UHFFFAOYSA-N 454.461 4.158 50 10 JIGE C=CCNC(=O)C(C#N)=C1S[C@@H](Cc2ccc(C)c(C)c2)C(=O)N1c1ccc(OCC)cc1 2314593250 KEGZQRFDEYDZFG-QHCPKHFHSA-N 461.587 4.431 50 10 JIGE CCOc1ccc(C=C(C#N)C(=O)N(c2ccc(OC)cc2)S(=O)(=O)c2ccccc2)cc1OC 2314777740 SBJBFGQRZUDHHK-UHFFFAOYSA-N 492.553 4.432 50 10 JIGE Cc1ccc(CO[C@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)nc1C 2319277533 XEIVMTTYRJQTDP-IBGZPJMESA-N 460.356 4.420 50 10 JIGE C[C@H]1CC2CC(CO[C@]3(CI)CCCN(C(=O)OC(C)(C)C)C3)(C2)O1 2319565724 TWPAWYBSDZAISN-NVHLDHDQSA-N 465.372 4.165 50 10 JIGE C[C@@H]1CN(Cc2cc(I)ccc2Cl)C[C@@H](CCBr)O1 2352427762 LRDMUPPEYJMTFG-ZWNOBZJWSA-N 458.565 4.319 50 10 JIGE Cc1ccc(NC(=O)CCC(=O)NNC(=O)COc2ccc(Br)cc2C(C)C)cc1C 9231612 NVUOSOAXZQADRU-UHFFFAOYSA-N 490.398 4.134 50 10 JIGE CC(C)c1ccc(C(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 10453109 ALQGNNOPWOIVTR-LBPRGKRZSA-N 454.379 4.220 50 10 JIGE CCCCOc1cccc(C(=O)NC(=S)NNC(=O)COc2ccccc2[C@H](C)CC)c1 14041925 ILRVTNDNOAJXNL-QGZVFWFLSA-N 457.596 4.094 50 10 JIGE COc1ccc2c(c1)/C(=N\NC(=O)[C@H](C)Oc1ccc(Cl)cc1C)C(=O)N2CCC(C)C 38180396 UJDVNEZVDRIBNQ-NTXFERMYSA-N 457.958 4.338 50 10 JIGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(-c3ccc(C(=O)OCC)cc3)o2)C1=O 38606555 FJNPGGCAWOOCNX-RCCKNPSSSA-N 462.502 4.142 50 10 JIGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc32)c(OC)c1 38656881 KZRNNEDOLRLLIY-HSZRJFAPSA-N 473.441 4.049 50 10 JIGE N#CC1=C(N)Oc2cc(OC(=O)[C@H]3COc4ccccc4O3)ccc2[C@@H]1c1cccc(Cl)c1 38687685 QEEJRELKFLVASG-PKTZIBPZSA-N 460.873 4.304 50 10 JIGE CCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc3cc(C(=O)NCC(C)C)c(=O)oc3c2)cc1OC 40894323 QWEPUHURFNCLNV-VXLYETTFSA-N 490.512 4.099 50 10 JIGE Cn1cc(CC(CBr)(CBr)c2ccccc2Br)cn1 118671959 OWBXQHKQKOJBDL-UHFFFAOYSA-N 451.000 4.453 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CCSC[C@@H]1CCCl 721511234 SPMGKVJNVGVEFJ-JTQLQIEISA-N 474.589 4.240 50 10 JIGE CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(C=NNC(=O)c2scnc2C)cs1 729640543 LKGZTPPBKOYYLJ-UHFFFAOYSA-N 453.471 4.375 50 10 JIGE CCC(C)(C)NC(=O)[C@@H](C)OC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1 854206670 BPWNTZSDEKHPEX-APVMCDBPSA-N 467.957 4.261 50 10 JIGE Cc1occc1C(=O)NN=C1C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21 1084063533 RYVMRXUQDQMUGE-UHFFFAOYSA-N 456.271 4.171 50 10 JIGE COc1ccc(N([C@H](C)C(=O)NN=Cc2cc(C)n(-c3cc(C)cc(C)c3)c2C)S(C)(=O)=O)cc1 1084210822 NNSWEJSSNVQPAZ-OAQYLSRUSA-N 496.633 4.024 50 10 JIGE CCCCC(C)=NNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1 1084569517 DGKUWWNAKAGWBF-UHFFFAOYSA-N 480.428 4.322 50 10 JIGE CCN1C(=O)C(=NNC(=O)COc2ccc3cc(Br)ccc3c2)c2cc(C)ccc21 1772720204 IEJDWZNHOYTYGW-UHFFFAOYSA-N 466.335 4.177 50 10 JIGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1cc(C)ccc1O)C(C#N)=C(N)O2 1865687418 QTZMODHZAQMJTN-IBGZPJMESA-N 451.324 4.429 50 10 JIGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(C)cc2)cc1OC 1865707071 MZQSHPXMFZKNAU-SFHVURJKSA-N 456.424 4.435 50 10 JIGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccccc1OC)C(C#N)=C(N)O2 1865709755 GFSVGPBVGCYNJV-LJQANCHMSA-N 451.324 4.424 50 10 JIGE CC[C@@H](C)N1C(=O)c2ccc(C(=O)NNC(=O)c3ccc(-c4ccc(C)c(C)c4)nc3C)cc2C1=O 1865756208 MKDKFBYDLBABTC-QGZVFWFLSA-N 484.556 4.143 50 10 JIGE C[C@@H](Br)[C@@H]1CCCN1S(=O)(=O)c1cc(Br)ccc1Br 1879176041 GUZWRFGUDYUWPC-KCJUWKMLSA-N 476.028 4.148 50 10 JIGE C[C@H](Br)[C@@H](NC(=O)c1ccc(I)c(Cl)c1)C(F)(F)F 1882652938 RQMQGGBDLCOGMM-SSDLBLMSSA-N 470.454 4.389 50 10 JIGE O=C(c1cc(Br)sc1Br)N1C[C@@H](Br)[C@H](Br)C1 1897060567 KYQGCHRQWATZJK-PHDIDXHHSA-N 496.844 4.256 50 10 JIGE CN(Cc1nccn1Cc1ccccc1)S(=O)(=O)c1ccc(Br)c(CCl)c1 1915040304 RWSNTZGKRIJMHG-UHFFFAOYSA-N 468.804 4.253 50 10 JIGE O=C(NC[C@H]1CC[C@H](CBr)CC1)c1ccc(F)cc1I 1922701531 PCMKWVNMXGYJSF-XYPYZODXSA-N 454.121 4.361 50 10 JIGE O=S(=O)(c1cc(CBr)oc1Br)N1CCC(OCc2ccccc2)CC1 2059265500 WKSCIARAOYGKNO-UHFFFAOYSA-N 493.217 4.307 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@]2(CCCO2)C1 2061268596 WSOHWFVWLMPEMZ-HTAPYJJXSA-N 491.720 4.041 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N[C@H]2CC[C@H](Br)C2)cc1Br 2121473741 JPGUZEFQGKUYOR-IUCAKERBSA-N 476.028 4.114 50 10 JIGE C=C[C@]1(CBr)COCCN1C(=O)c1cc(Br)c(Br)s1 2135107512 FDXRWSOMYDQJNL-LBPRGKRZSA-N 474.012 4.065 50 10 JIGE FC(F)(F)c1cnc(N2CCC3(CC(Br)C3)C2)c(I)c1 2174078360 OLFBFLHKVLUKAZ-UHFFFAOYSA-N 461.063 4.459 50 10 JIGE C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2cc(F)ccc2CBr)CN1Cc1ccccc1 2179786467 AVNCNJMPRSKXLB-DNVCBOLYSA-N 455.393 4.004 50 10 JIGE C[C@H]1CN(S(=O)(=O)Cc2cccc(CBr)c2)[C@H](C)CN1Cc1ccccc1 2179788390 BSSFXQQXQINWOP-ZWKOTPCHSA-N 451.430 4.006 50 10 JIGE Cc1oc(CBr)cc1S(=O)(=O)N1C[C@H](C)N(Cc2ccccc2)[C@H](C)[C@@H]1C 2179820620 ZUURAWKCBINZQM-XHSDSOJGSA-N 455.418 4.155 50 10 JIGE O=S(=O)(c1ccc(F)c(CBr)c1F)N1CCC[C@H](OCc2ccccc2)C1 2186382334 ULGCPUSVUGSCMJ-HNNXBMFYSA-N 460.340 4.230 50 10 JIGE C[C@@H](Br)c1cnnn1-c1ccc(Br)cc1I 2212573949 HBDKVTRMKIIJLR-ZCFIWIBFSA-N 456.907 4.090 50 10 JIGE Cn1ncc([C@@H](Cl)c2ccc3c(c2Br)CCO3)c1I 2229738827 JMHVOYAKIVXIPN-LBPRGKRZSA-N 453.505 4.050 50 10 JIGE CC(C)(C)OC(=O)N1C[C@H](OC2CCN(Cc3ccccc3)CC2)[C@H](I)C1 2242040742 YFAWRUYPAIEFOM-MOPGFXCFSA-N 486.394 4.091 50 10 JIGE C[C@@]1(CBr)C=CCN1C(=O)Cc1cc(Br)cc(Br)c1 2277933223 QFHFDQBDMXEVFN-AWEZNQCLSA-N 451.984 4.306 50 10 JIGE CC(C)(C)OC(=O)N1CCC(CI)(OC[C@]23C[C@H](CO2)C3(C)C)CC1 2313359329 GYDOBXBOWWEVIC-KUHUBIRLSA-N 465.372 4.023 50 10 JIGE CCOc1cc(C=NNC(=O)CCc2nc3ccccc3[nH]c2=O)ccc1OCc1ccc(C)cc1 2321685176 SWSOUFWJGSSIIK-UHFFFAOYSA-N 484.556 4.292 50 10 JIGE Cc1cc(I)ccc1NC(=O)C(C#N)=CNCCc1ccc(Cl)cc1 2325411796 BEGQICWUSXRXCW-UHFFFAOYSA-N 465.722 4.431 50 10 JIGE CO[C@@]1(CBr)CCCN(Cc2ccc(Cl)cc2I)C1 2341027847 OXCFNHQQEGCSSX-CQSZACIVSA-N 458.565 4.321 50 10 JIGE CC(C)[C@H](Br)C(=O)N1CC[C@H](CCNC(=O)OC(C)(C)C)C[C@H]1C(F)(F)F 2362754310 SZXHYJPOGVZKFC-IHRRRGAJSA-N 459.347 4.490 50 10 JIGE Clc1ccc(I)cc1CN1CCO[C@@H]2C[C@@H](CBr)C[C@H]21 2380531569 RCCYWQXTYRIUOE-COLVAYQJSA-N 470.576 4.319 50 10 JIGE O=C(COc1ccc(-c2ccccc2)cc1)NNC(=S)NC(=O)CCc1ccccc1Cl 10460411 QOAUFJJNUIYZTP-UHFFFAOYSA-N 467.978 4.041 50 10 JIGE CCCCCC(=O)NNC(=S)NC(=O)c1ccc(OCCC(C)C)c(Br)c1 14646027 YIOVUMVHFXPHTJ-UHFFFAOYSA-N 458.422 4.090 50 10 JIGE CCOc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1Br 14770351 QARWTCGRLGOHRR-JTQLQIEISA-N 476.154 4.383 50 10 JIGE COc1ccc(/C=N/NC(=O)CCC(=O)Nc2ccc(F)cc2)cc1OCc1ccc([N+](=O)[O-])cc1 20259318 HYIUNKCAXFYAFD-JFLMPSFJSA-N 494.479 4.191 50 10 JIGE CCN(c1ncnc(NNC(=O)COc2ccccc2)c1[N+](=O)[O-])c1cccc2ccccc12 40589308 SCWIZHLHTFXAHY-UHFFFAOYSA-N 458.478 4.218 50 10 JIGE COc1ccc(/C=C(\C#N)C(=O)Oc2ccc3cc(C(=O)NCc4ccccc4)c(=O)oc3c2)cc1 40890846 IEAALUHTOXLESX-FYJGNVAPSA-N 480.476 4.244 50 10 JIGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2Cl)c(OC)c1 40968459 SANUJJPMJDERKH-XNTDXEJSSA-N 457.870 4.299 50 10 JIGE CCCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccccc2OC(=O)c2ccc(Cl)cc2)cc1 48572878 GRTLMIWHCJUTNY-MUFRIFMGSA-N 493.947 4.228 50 10 JIGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(C)n(-c3ccc(C(=O)O)cc3C)c2C)cc1 58894547 IBQBTVFRPRWFPX-NNVPUZBJSA-N 477.561 4.463 50 10 JIGE Cc1nn(C)c(C)c1C=NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 252637876 XXVQQNOXIJIQAP-UHFFFAOYSA-N 498.243 4.226 50 10 JIGE CCCCN(CCCC)CN1C(=O)C(=NNC(=O)c2ccccn2)c2cc(Br)ccc21 254817537 ZYSLMYDMPJTYNB-UHFFFAOYSA-N 486.414 4.185 50 10 JIGE Cc1c(O)cccc1[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1CI 382690444 IAFATHXPKAHHQR-AEFFLSMTSA-N 451.304 4.488 50 10 JIGE CN1C[C@@H](CI)[C@H](c2cc(Br)cc(Br)c2)C1 382739788 YXFVOMJITYRTDH-SKDRFNHKSA-N 458.963 4.292 50 10 JIGE FC(F)(F)c1cnc(N2CCSC[C@@H]2CBr)c(I)c1 686116735 XAAAKQSMOBMGAN-QMMMGPOBSA-N 467.092 4.022 50 10 JIGE O=C(NNC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc12)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 730770253 DLQCDHMRCKDNPH-CLJLJLNGSA-N 488.551 4.106 50 10 JIGE CN(C[C@H]1COc2ccccc2O1)C(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1 818031988 BXQVETLUXCABIY-QUYTYNJFSA-N 487.947 4.323 50 10 JIGE CCOc1cc(C=NNC(=O)c2ccc(NC(C)=O)cc2)ccc1OC(=O)c1cccc(C)c1 1084066276 JGSRJMWKUOUFCA-UHFFFAOYSA-N 459.502 4.335 50 10 JIGE C=CCn1c(CCc2ccccc2)nnc1SCC(=O)NN=Cc1cccc(Br)c1 1084464314 RYJJPCGFNQKGMJ-UHFFFAOYSA-N 484.423 4.254 50 10 JIGE C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)N/N=C/c4ccc(F)c(Br)c4)c(=O)c23)C1 1860774107 NAEVGDIDJBOUDG-PWNZSMLCSA-N 491.386 4.196 50 10 JIGE CCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3CCC)cc1OC 1865690912 DXTCNCPDGOEGTG-GOSISDBHSA-N 461.360 4.380 50 10 JIGE CCc1nn(C)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)c(OC)c1)C(C#N)=C(N)O2 1865701275 RCWSNXXXGSEGDS-OAQYLSRUSA-N 450.926 4.442 50 10 JIGE CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1cc(Cl)c(O)c(OC)c1)C(C#N)=C(N)O2 1865707528 YUEQDBGETQIGIN-FQEVSTJZSA-N 450.926 4.470 50 10 JIGE Cc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc([N+](=O)[O-])cc1)C(C#N)=C(N)O2 1865713455 ZPTIVMOMZYQPRS-SFHVURJKSA-N 452.268 4.070 50 10 JIGE N#CSc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)CCc2nc(O)c3ccccc3n2)cc1 1867263377 GGGKBVOIOIJVGE-QHCPKHFHSA-N 497.580 4.207 50 10 JIGE O=C(NCCC(F)(F)CCl)c1cc(I)ccc1Br 2064905519 BZUXBXMQOQHRLE-UHFFFAOYSA-N 452.464 4.048 50 10 JIGE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](C(F)(F)F)CCN1C[C@@H](Br)C(F)(F)F 2107581541 DNQFLFFHKLNOBO-GARJFASQSA-N 457.253 4.480 50 10 JIGE C[C@H]1CN(C(=O)c2cc(I)ccc2Br)CC[C@H]1CCl 2109040196 RRJAYFAVLVJVDN-UWVGGRQHSA-N 456.549 4.391 50 10 JIGE C[C@H](CBr)N1CCN(Cc2ccc(Br)cc2Br)CC1 2113065012 XGPWHIQBKACUCA-LLVKDONJSA-N 455.032 4.113 50 10 JIGE Cc1cc(C(=O)N[C@H]([C@@H](C)Br)C(F)(F)F)ccc1I 2142108353 YVPWPKOQZPQBNW-GMSGAONNSA-N 450.036 4.044 50 10 JIGE CCN1CCC[C@@H]([C@@H](Br)c2cc(Br)ccc2Br)S1(=O)=O 2145757747 GMFJVPIIDQGLNM-STQMWFEESA-N 490.055 4.462 50 10 JIGE CN(Cc1ccccc1)[C@@H]1CCN(S(=O)(=O)c2cc(Br)cc(CCl)c2F)C1 2152160672 XJDVNUHIUJLZMX-QGZVFWFLSA-N 475.811 4.222 50 10 JIGE CCOc1ccc(Br)cc1[C@@H](Br)c1nn(C)nc1Br 2226988289 XXXPKVODNVYLCO-SNVBAGLBSA-N 453.960 4.223 50 10 JIGE Cc1sc(CBr)cc1S(=O)(=O)N1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 2234713998 ANLDPUKICBRWSK-HDICACEKSA-N 469.470 4.379 50 10 JIGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2c[nH]c3ccccc23)cc1 2297291874 MMMJVSLVBLOSCF-UHFFFAOYSA-N 451.530 4.155 50 10 JIGE Cc1nc2ccccn2c1C(=O)NN=Cc1cc(Br)ccc1OC(=O)C=Cc1ccco1 2313652911 FKDZSTHYXWESNV-UHFFFAOYSA-N 493.317 4.381 50 10 JIGE C[C@]1(CBr)COCCN1Cc1ccc(I)c(Br)c1 2325231415 UZYXYTWJUYBPLL-ZDUSSCGKSA-N 488.989 4.040 50 10 JIGE O=C(c1cc(I)ccc1Br)N1[C@H]2CC[C@H](C2)[C@H]1CBr 2330982474 CQFFOTITNBHWLN-DFAYQTQMSA-N 498.984 4.442 50 10 JIGE C[C@@H](CBr)[C@@H]1CCCCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364214939 QMTBOSRJUBMXPE-PXNSSMCTSA-N 499.471 4.058 50 10 JIGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)CCC3CCCCC3)cc2)c1 14029280 FGKDLYHDJIPHAR-UHFFFAOYSA-N 466.607 4.243 50 10 JIGE Cc1cc(Cl)ccc1OCC(=O)NNC(=O)c1ccc(OC(C)C)c(Br)c1 14658806 LTVMGFUYNLMJSC-UHFFFAOYSA-N 455.736 4.038 50 10 JIGE O=C(CCn1c(-c2cccs2)n[nH]c1=S)NNC(=O)c1ccccc1OCc1ccc(F)cc1 17200639 AGCXSGQCZWXKGX-UHFFFAOYSA-N 497.577 4.239 50 10 JIGE Cc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc([N+](=O)[O-])cc1 38654541 OZBQKXUQESSHCX-DEOSSOPVSA-N 457.442 4.106 50 10 JIGE COc1cccc(OCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)c1 40961088 UAYIJHYSNMHOHD-VULFUBBASA-N 454.910 4.465 50 10 JIGE CCOC(=O)/C(C#N)=C(\O)c1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc1 198781523 LLXYQOQESHNDOF-AZEWJBKWSA-N 490.515 4.439 50 10 JIGE COc1ccccc1CN/C=C(/C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216505018 DLDPOODFHNVQBZ-ROMGYVFFSA-N 466.585 4.126 50 10 JIGE O=C(NCCCCI)c1cc(Br)ccc1Br 232456818 RMTRXZQXQRIMAG-UHFFFAOYSA-N 460.935 4.157 50 10 JIGE C#CCOc1ccc(C=NNC(=O)CSCc2ccccc2Cl)cc1Br 1083968618 UZXFZYVCNOCGAR-UHFFFAOYSA-N 451.773 4.498 50 10 JIGE CC1=C(C(=O)NN=Cc2ccc(Cl)cc2Cl)[C@@H](c2ccc(N(C)C)cc2)NC(=S)N1 1084018216 UDANRORWNDOEBA-LJQANCHMSA-N 462.406 4.003 50 10 JIGE CC(=O)N1CC[C@H](CN(C)C(=O)/C(C#N)=C/c2cc(C)n(-c3cccc4ccccc34)c2C)C1 1535464730 KFUQWYIOILPDEP-BHSKHCGUSA-N 454.574 4.481 50 10 JIGE COc1ccc(C)cc1NC(=O)c1oc2c(c1C)C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772747647 RTIZHYLGQZJAQG-UHFFFAOYSA-N 490.516 4.465 50 10 JIGE C=CC[C@@H](CBr)NC(=O)c1cc(Br)ccc1I 2019474644 HQZOUYLIEDQIIQ-VIFPVBQESA-N 472.946 4.123 50 10 JIGE O=C(Cl)c1cc(I)c(I)cc1OC(F)(F)F 2060024771 HMOPVLLYMAAKRA-UHFFFAOYSA-N 476.357 4.173 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1CC(F)(F)C[C@@H]1CBr 2102792088 UJRBSFKTZZNRHI-MRVPVSSYSA-N 464.475 4.189 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1C[C@H]2CC(Br)C[C@@H]2C1 2128654629 JISSYNSBXMKMCZ-RKDXNWHRSA-N 454.533 4.190 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1[C@H]2CC[C@H]1[C@@H](CBr)C2 2157228971 CAXQSOFIGJUFPQ-QRTLGDNMSA-N 488.039 4.148 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@]12CC[S@](=O)(=NC(=O)[C@@H](Br)C1CCCC1)C2 2167030915 BMZUARJYSKQVOC-BKVQYAJGSA-N 463.438 4.108 50 10 JIGE CN(C1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)S(=O)(=O)c1ccc(CBr)s1 2179810623 CSPYBOGFWJTSMZ-JWTNVVGKSA-N 469.470 4.459 50 10 JIGE CN(C[C@@]1(Cl)CC1(C)C)S(=O)(=O)c1cc(CBr)sc1Br 2237991338 BTCGVLBYBLHVPJ-LBPRGKRZSA-N 465.660 4.434 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OC[C@@]23C[C@@H](CO2)C3(C)C)C1 2260699243 QPEAMVCFVLADMO-ZOCIIQOWSA-N 465.372 4.023 50 10 JIGE CCN1CCC[C@H]([C@@H](Br)c2ccc(Cl)c(I)c2)S1(=O)=O 2283565348 CGMIFEOTXLHIKO-OLZOCXBDSA-N 492.604 4.195 50 10 JIGE CCN(C[C@](C)(CI)O[C@H]1CC[C@@H]2[C@H]1C2(F)F)C(=O)OC(C)(C)C 2298193439 NEUHJNMMEDQNHS-IATRGZMQSA-N 459.315 4.497 50 10 JIGE CCc1ccc(OCC(=O)NNC(=O)C=Cc2cccc3ccccc23)c(Br)c1 2313601975 CYLFMBZEIVLWSW-UHFFFAOYSA-N 453.336 4.404 50 10 JIGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1 2314795994 MDYIQFHXNLKTML-SFHVURJKSA-N 498.963 4.104 50 10 JIGE O=S(=O)(Cc1ccccc1Br)N[C@H](CCBr)COCc1ccccc1 2320392724 SWRNRXMYRXUCDT-QGZVFWFLSA-N 491.245 4.239 50 10 JIGE O=C(COc1ccc2ccccc2c1)NC(=S)NNC(=O)c1ccc(-c2ccccc2)cc1 12502572 NPLXTLVQZZNXKX-UHFFFAOYSA-N 455.539 4.221 50 10 JIGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)/C=C/c3ccco3)cc2)cc1 12572939 WHQWMWXRYIBYEK-CCEZHUSRSA-N 490.585 4.178 50 10 JIGE CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cccc([N+](=O)[O-])c3)ccc21 38650579 CYKFSQYLPVFZCJ-HSZRJFAPSA-N 457.442 4.431 50 10 JIGE CC(=NNC(=O)c1cnn2c(C)cc(-c3ccccc3)nc12)c1cccc(NC(=O)C(C)C)c1 252615136 JPIREWSCBIMHCV-UHFFFAOYSA-N 454.534 4.453 50 10 JIGE CCOc1cc(C=NNC(=O)COc2ccc(C)cc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 254808535 RJAGPXVUFMXDRE-UHFFFAOYSA-N 477.473 4.050 50 10 JIGE O=C(c1ccc(F)cc1I)N1CC[C@H]2CC[C@@H](Br)[C@H]1C2 721564718 KOLVOESMDZJAHD-GAJTVXKRSA-N 452.105 4.208 50 10 JIGE N#CCCn1cc(/C=C(/C#N)C(=O)N2CCC[C@@H](c3ncc[nH]3)C2)c(-c2ccc(Cl)cc2)n1 727738071 DUODRSMRBHJCID-ZJYZBMPFSA-N 459.941 4.153 50 10 JIGE O=C(COc1c(I)cc(Cl)c2cccnc12)NN=Cc1ccccc1 916327057 FMCMIXUSFWGFMB-UHFFFAOYSA-N 465.678 4.022 50 10 JIGE CC(=NNC(=O)c1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1)c1ccccc1 1084159492 VUFGUCNXRLSRBZ-UHFFFAOYSA-N 455.967 4.460 50 10 JIGE C/C(=C\C(=O)NNc1ccccc1S(=O)(=O)NC(C)(C)C)c1ccc(C(F)(F)F)cc1 1295317886 ZJHBDCINKYPVNO-BUHFOSPRSA-N 455.502 4.329 50 10 JIGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@@H](c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 1614700667 BOQJJVHMCRAGHQ-PBHICJAKSA-N 464.272 4.250 50 10 JIGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1cccc(OC)c1O)C(C#N)=C(N)O2 1865684403 PWGPGCYWNDOHHZ-HXUWFJFHSA-N 450.926 4.470 50 10 JIGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc(Cl)c2)cc(OC)c1OC 1865692076 IQZDXYIYWGBEIU-FQEVSTJZSA-N 452.898 4.078 50 10 JIGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccccc1[N+](=O)[O-])C(C#N)=C(N)O2 1865709673 DVINNICHYBEQNR-GOSISDBHSA-N 466.295 4.324 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(F)cc2)[C@H]1c1ccccc1[N+](=O)[O-] 1865710358 WGZKOGZHYWYKGU-INIZCTEOSA-N 459.359 4.216 50 10 JIGE CC[C@](C)(NC(=O)c1cc(-c2cc(F)ccc2F)n(C)n1)C(=O)Nc1ccc(SC#N)cc1 1867104628 YAHXITQGXLPSLX-QHCPKHFHSA-N 469.517 4.476 50 10 JIGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CC(=O)N3CCc4c(F)cccc4[C@H]3C2)n1 1868278190 VOKJTQPOWXYLCX-OAQYLSRUSA-N 474.565 4.441 50 10 JIGE CCc1nn(C)c(CN(C)C[C@H](Br)COCc2ccccc2)c1Br 1916366483 JUAKWUPFAFSZOR-HNNXBMFYSA-N 459.226 4.157 50 10 JIGE CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)OCC(=O)C(C#N)=C1Sc2ccccc2N1C 2040463816 OKFYMTBEKIJPRH-QFIPXVFZSA-N 479.558 4.027 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CC[C@@H]2[C@@H](CCl)[C@@H]2C1 2093140192 KWXFLNGMCOPPAN-YUSALJHKSA-N 454.533 4.001 50 10 JIGE Cc1csc(CBr)c1S(=O)(=O)N1C[C@H](C)N(Cc2ccccc2)C[C@@H]1C 2123244362 VKBLUICSTFTPJV-HOTGVXAUSA-N 457.459 4.235 50 10 JIGE C[C@@H](Br)C[C@H]1COCCN1Cc1cc(Cl)ccc1I 2128885641 VWQXHPDGSGFOGX-MFKMUULPSA-N 458.565 4.319 50 10 JIGE C[C@@H](Br)CCc1cn(Cc2cc(Cl)ccc2I)nn1 2132761877 OTYKUXKWWLDCSC-SECBINFHSA-N 454.537 4.300 50 10 JIGE O=C(c1sccc1I)N1Cc2ccccc2[C@H](CBr)C1 2176251538 GGJFJICLAIUHIL-LLVKDONJSA-N 462.150 4.487 50 10 JIGE Cc1cc(CBr)ccc1S(=O)(=O)N1C[C@H](C)N(Cc2ccccc2)C[C@H]1C 2179786482 AYQZAPXYZUXEPO-ZWKOTPCHSA-N 451.430 4.173 50 10 JIGE O=S(=O)(c1cc(CBr)sc1Br)N1CCCC(F)(F)CC1 2179788103 XXSRNSAHTRZZLQ-UHFFFAOYSA-N 453.168 4.215 50 10 JIGE C[C@]1(C(F)F)CCN(S(=O)(=O)c2cc(CBr)sc2Br)C1 2179791580 STKIYGVSRYYNNR-NSHDSACASA-N 453.168 4.071 50 10 JIGE C[C@@H](NC(=O)c1cc(Br)cc(Br)c1)c1nnc(CBr)s1 2192615135 HNYCPIAWSDZRDF-ZCFIWIBFSA-N 484.011 4.449 50 10 JIGE C[C@@H](CBr)CC1CN(S(=O)(=O)c2cc(Br)ccc2Br)C1 2238731272 PJAUMCKFOXWIPX-SECBINFHSA-N 490.055 4.253 50 10 JIGE CC(C)(C)OC(=O)N1CC(N(CCCCI)OCc2ccccc2)C1 2241521145 NATILXGYVBJJQN-UHFFFAOYSA-N 460.356 4.255 50 10 JIGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1COCCO1 2259999285 NXYNJPXTIQRANC-CBAPKCEASA-N 450.899 4.341 50 10 JIGE O=S1(=O)CC[C@H]([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)C1 2272739008 JUUUZEKHIAUGNG-SSDLBLMSSA-N 482.966 4.361 50 10 JIGE COc1ccccc1Oc1nc2ccccn2c(=O)c1C=C(C#N)C(=O)Nc1ccc(C)cc1 2296543634 TUULXCODQDSUKU-UHFFFAOYSA-N 452.470 4.350 50 10 JIGE C=CCN1C(=O)C(=Cc2ccc(N(CC)CC)cc2)SC1=NNC(=O)c1ccccc1O 2314397546 WYWAWMKLTOKGFS-UHFFFAOYSA-N 450.564 4.042 50 10 JIGE COc1ccccc1NC(=O)C(C#N)=Cc1c(Oc2cccc(C)c2)nc2ccccn2c1=O 2314533238 PSSGWYLMVNGLHJ-UHFFFAOYSA-N 452.470 4.350 50 10 JIGE Cc1ccc(NC(=O)CCC(=O)NNC(=O)COc2ccc(Br)cc2C(C)C)c(C)c1 9231591 CAIKJULZDPROIR-UHFFFAOYSA-N 490.398 4.134 50 10 JIGE Cc1cc(C(C)(C)C)ccc1OCC(=O)N/N=C/c1cc(Br)ccc1OCC(=O)O 15018470 YYMLAOSPANOPAE-BHGWPJFGSA-N 477.355 4.048 50 10 JIGE Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C(/S)NC(=O)/C=C\c3cccs3)cc2)c1 33780898 ULNBLMSJJRTXQN-QXMHVHEDSA-N 464.572 4.069 50 10 JIGE Cc1ccc(Cc2nc(N3CCN(C(=O)[C@@H](C)Cl)CC3)c3c(C)nn(-c4ccccc4)c3n2)cc1 35912851 ILMGHCFNCVDEHX-LJQANCHMSA-N 489.023 4.299 50 10 JIGE CCCN1C(=O)/C(=N\NC(=O)CCCCCNC(=O)c2ccccc2Cl)c2cc(C)ccc21 38180221 LGJOVOXWFKJIKH-FAJYDZGRSA-N 468.985 4.216 50 10 JIGE COC(=O)c1ccccc1N/C=C(/C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216492538 AIGDDPDZRXWZAR-FLFQWRMESA-N 480.568 4.226 50 10 JIGE O=C(CSc1nnc(CNc2ccccc2)n1-c1ccccc1)NN=Cc1ccc(F)cc1 252641986 ZHNDSLJVGOCSJC-UHFFFAOYSA-N 460.538 4.261 50 10 JIGE CC(C)OCCCn1c(NNC(=O)COc2ccc(Cl)c(Cl)c2)nc2ccccc2c1=O 729279650 MKDOYRZGPGVTLJ-UHFFFAOYSA-N 479.364 4.041 50 10 JIGE CC(=O)N(c1ccccc1)c1nc(C=NNC(=O)[C@H](C)Nc2nc3ccccc3s2)cs1 730583082 IRFAAZIGHSGGDV-AWEZNQCLSA-N 464.576 4.388 50 10 JIGE C[C@H](NC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1)c1ccc(N2CCOCC2)cc1 920886302 GRWSAYUXNPGZSC-JHGYQWQCSA-N 480.572 4.085 50 10 JIGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(-c3ccc(C(=O)OC)cc3C)o2)cc1 1084362627 FKLMVVPMSGVKAB-QHCPKHFHSA-N 464.518 4.404 50 10 JIGE CCOc1ccc(N(CC(=O)NN=Cc2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084432057 DCENXWNQHQVDLQ-UHFFFAOYSA-N 485.993 4.393 50 10 JIGE C=CCn1c(SCC(=O)NNc2ccc(F)c(F)c2F)nnc1-c1ccc(Cl)cc1 1545956102 PGOLLQWKHYTCAJ-UHFFFAOYSA-N 453.877 4.437 50 10 JIGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1 1562352244 ZXKJZVRNESACIR-KRWDZBQOSA-N 458.474 4.173 50 10 JIGE C=CCOc1ccc(/C=C/C(=O)NNc2ccccc2I)cc1OC 1644642006 VKKQOMCKUZLHQZ-PKNBQFBNSA-N 450.276 4.021 50 10 JIGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2cccc(-c3ccc(F)c(F)c3)c2)cc1 1661860605 UOGPBSBNNLKNQK-HNNXBMFYSA-N 453.445 4.455 50 10 JIGE CCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3C)cc1OC 1865692808 PKGPQQWKSHLOCO-QGZVFWFLSA-N 461.360 4.151 50 10 JIGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@@H](c2ccc(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865705754 DUAZUHAHEKCWTA-DEOSSOPVSA-N 496.523 4.489 50 10 JIGE C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)N(S(=O)(=O)c2ccc(CBr)cc2)C1 1921476620 GCGBGSNANPCODN-QZTJIDSGSA-N 451.430 4.113 50 10 JIGE C[C@@H](Br)CN(Cc1ccccc1)S(=O)(=O)C1CC(OCc2ccccc2)C1 1954527321 VJOYBKUTHWOBNH-MDMXATFFSA-N 452.414 4.350 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCN(C(=O)OC(C)(C)C)C12CCC2 1985351529 GVTJZCIGFHCUDE-MRXNPFEDSA-N 461.694 4.414 50 10 JIGE CN(C[C@H](Br)C1CC1)c1ncc(I)cc1Br 1988534312 IBLPBUSPXZVLRP-JTQLQIEISA-N 459.951 4.058 50 10 JIGE Brc1cc(I)cnc1N1CC[C@H](Br)[C@@H]2CC[C@@H]21 2016028304 OVMYZPANUHHCEJ-QXEWZRGKSA-N 471.962 4.201 50 10 JIGE O=C(c1cc(Br)sc1Br)N1CC[C@@H]2[C@@H](CBr)[C@@H]2C1 2032223163 IAMAZYQAZHOVKF-FTLITQJKSA-N 458.013 4.376 50 10 JIGE O=C(CBr)c1cc(OC(F)(F)F)cc(I)c1OC(F)F 2060372580 FJJHEMPNTNDKJP-UHFFFAOYSA-N 474.945 4.369 50 10 JIGE O=C(N[C@H]1C[C@H]2C[C@H]1C[C@H]2Cl)c1cc(Br)ccc1I 2104401197 GWADOIUQLUODIK-DQRYNJFASA-N 454.533 4.189 50 10 JIGE O=S(=O)(N[C@@H]1C[C@H]2C[C@H]1C[C@@H]2Br)c1cc(Br)ccc1Br 2160695872 GPVPYQCBDULWQJ-UFGYURQFSA-N 488.039 4.052 50 10 JIGE C[C@@H]1CN(C(=O)c2cc(I)ccc2F)CC[C@@H]1CCBr 2172461868 ASSKEQITGFIGFC-MNOVXSKESA-N 454.121 4.314 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1C[C@H](Br)CCC12CC2 2227506085 PJHOAOJOKLUGAM-SNVBAGLBSA-N 454.533 4.477 50 10 JIGE N#CC(=Cc1cc(Br)c(O)c(Br)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 2297506290 VBXQKBCTAIHJCZ-UHFFFAOYSA-N 467.073 4.371 50 10 JIGE CC(C)(C)OC(=O)NC[C@@](C)(CI)O[C@@H]1CCCCC12CCOCC2 2319694602 ZDEBGTCRQQGBCW-CRAIPNDOSA-N 467.388 4.461 50 10 JIGE O=C(N[C@@H]1C[C@@H](CBr)[C@H]2C[C@H]21)c1cc(Br)ccc1Br 2329877987 LOKCHAMTCPROQZ-OJPPFWEXSA-N 451.984 4.361 50 10 JIGE NNC(=O)c1ccc(CSc2cc(I)ccc2Br)s1 2338331155 PVNNJLPYCCLGCN-UHFFFAOYSA-N 469.167 4.011 50 10 JIGE CC(C)(C)OC(=O)NC[C@@H]1CC[S@@](=O)(=NC[C@@]2(CBr)CC2(F)F)C1(C)C 2351886827 FDPBSKHBZIGZJE-VDKHUPACSA-N 459.397 4.198 50 10 JIGE ClC[C@@H]1CC[C@@H]2CN(Cc3ccc(I)c(Br)c3)C[C@@H]2O1 2377352256 JWGZLBHRWWKPSB-XUJVJEKNSA-N 470.576 4.272 50 10 JIGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)CCc2ccccc2Cl)cc1 10460316 RZHHDQMXDCBWIZ-UHFFFAOYSA-N 495.004 4.169 50 10 JIGE CC(C)CC(=O)Nc1ccc(C(=O)NNC(=O)c2cccc(OCCOc3ccccc3)c2)cc1 14040931 SYALKUFYOJTDOS-UHFFFAOYSA-N 475.545 4.204 50 10 JIGE NC(=O)Cn1cc(/C=N/NC(=O)c2cc(Cl)ccc2OCc2cccc(F)c2)c2ccccc21 20533880 UDEZLSVJBZSNLU-XKJRVUDJSA-N 478.911 4.262 50 10 JIGE COc1ccc(/C=C(/C#N)C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)cc1OC 33600079 KKZLXPDVPANBEV-UNOMPAQXSA-N 460.559 4.264 50 10 JIGE COC(=O)c1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccccc1OC)CCC2 40813187 FYTPNOVKYCWFRF-TURZUDJPSA-N 475.501 4.106 50 10 JIGE COC(=O)Cn1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c2ccccc21 59680432 GJXWQWRQDULPLI-AUEPDCJTSA-N 454.280 4.087 50 10 JIGE Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1/C=C\C(=O)NNC(=O)c1ccccn1 96554563 LXNZGGOTFUERCC-HJWRWDBZSA-N 464.740 4.069 50 10 JIGE O=C(Cn1c2ccccc2c(=O)c2ccccc21)NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 252589167 AHUBVDLILSWPIP-UHFFFAOYSA-N 466.453 4.473 50 10 JIGE CCCCOc1ccc(C=NNC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)cc1 252623395 OQFVRMAWTBHFTA-UHFFFAOYSA-N 483.565 4.350 50 10 JIGE O=C(C1CC1)[C@H](Br)Cc1cc(Br)ccc1I 300908909 QAJSIFBWKSSNNT-SNVBAGLBSA-N 457.931 4.339 50 10 JIGE CN(C(=O)c1ccc(I)c(Br)c1)[C@@H]1CCC[C@@H]1Br 709183706 NIDDTZNEHUPCHL-JOYOIKCWSA-N 486.973 4.442 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@H]2C[C@@H](Br)C[C@H]1C2 709861474 LKKURLCQXTVLCA-JMJZKYOTSA-N 488.039 4.148 50 10 JIGE COc1ccc(C=NNC(=O)Cc2csc(N)n2)cc1COc1cc(C)c(Cl)c(C)c1 725274248 HLSIAIINHNUUIC-UHFFFAOYSA-N 458.971 4.276 50 10 JIGE Cn1cc(C(=O)NNC(=O)NCc2ccccc2-c2ccc(Cn3ccnc3)cc2)c2ccccc21 728942482 VQOQBSMGQWKFNZ-UHFFFAOYSA-N 478.556 4.234 50 10 JIGE COc1ccc([C@H](Br)c2cn(C)c(Br)n2)c(OC)c1Br 829354800 SFLKJMYXDIEHGV-JTQLQIEISA-N 468.971 4.447 50 10 JIGE Cc1cc(Br)cc(Br)c1OCC(=O)NN=C1CC(=O)CC(C)(C)C1 1084632742 FNLOSVMGZDNHIX-UHFFFAOYSA-N 460.166 4.150 50 10 JIGE C=CCNC(=O)c1ccc(NC(=O)NNc2ccc(-c3cccc(C(F)(F)F)c3)nn2)cc1 1198692176 WYMBJXFYKGGABN-UHFFFAOYSA-N 456.428 4.227 50 10 JIGE COc1ccc([N+](=O)[O-])c([C@@H]2CN(Cc3ccccc3)C[C@H]2CI)c1 1614637436 HPJJYBFPLOVUAL-CRAIPNDOSA-N 452.292 4.254 50 10 JIGE CC(=O)c1cc(C(=O)NNc2cc(C(F)(F)F)nc(-c3ccccn3)n2)ccc1OC(C)C 1641289396 MBCUFHAHQLYIEU-UHFFFAOYSA-N 459.428 4.304 50 10 JIGE Cc1c(C(=O)Oc2ccc(F)cc2)oc2c1C(=NNC(=O)c1cccc([N+](=O)[O-])c1)CCC2 1772746197 ROXIBEBPPPBMEA-UHFFFAOYSA-N 451.410 4.325 50 10 JIGE COc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)COc2ccccc2)CCC3)c(OC)c1 1772749090 HHZJQAMNVMIBGL-UHFFFAOYSA-N 477.517 4.093 50 10 JIGE COc1ccc(OC)c(/C=C/C(=O)N/N=C2\C(=O)N(Cc3ccccc3Cl)c3ccccc32)c1 1860822566 GNPUAMRPLVUBPS-DRKRJJBFSA-N 475.932 4.438 50 10 JIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2)cc(OC)c1OC 1865693781 YUVHCXUSSRTCAK-QGZVFWFLSA-N 472.423 4.135 50 10 JIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(C)cc2)cc(OC)c1O 1865714709 OALZOGQUDVBLLO-QGZVFWFLSA-N 472.423 4.141 50 10 JIGE COc1cc(OC)cc(C(=O)NNC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)nc2C)c1 1865759431 ZWJFXOJZAQVYFL-UHFFFAOYSA-N 460.317 4.456 50 10 JIGE CC(=O)Oc1ccc(C[C@@H](NC(=O)c2cc(C3CC3)on2)C(=O)Nc2ccc(SC#N)cc2)cc1 1867153523 NQFZJDIYEGUVIY-OAQYLSRUSA-N 490.541 4.030 50 10 JIGE O=C(N[C@@H](CBr)C[C@@H]1CCOC1)c1cc(Br)sc1Br 1883291580 GIDOFPBASRIUHL-JGVFFNPUSA-N 476.028 4.193 50 10 JIGE CC1(C)C[C@H](Br)CN(S(=O)(=O)c2cc(Cl)c(Br)s2)C1 1923180813 CRFPRNRWKRLOEK-ZETCQYMHSA-N 451.633 4.348 50 10 JIGE CC[C@@H]1[C@@H](CBr)CCN1c1ncc(I)cc1Br 2015758925 OGDZQTTWCBRLMS-LDYMZIIASA-N 473.978 4.449 50 10 JIGE O=C(CBr)c1c(Br)cc(I)cc1Br 2054856765 VYLHNVBIQILPCO-UHFFFAOYSA-N 482.735 4.394 50 10 JIGE O=C(CBr)c1cc(OC(F)F)cc(I)c1OC(F)(F)F 2060367215 DJFKQQLZDOIEFV-UHFFFAOYSA-N 474.945 4.369 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@@H](Br)[C@@H](C2CC2)C1 2090685481 PITYOXDHPHHYFG-DGCLKSJQSA-N 498.984 4.299 50 10 JIGE CCc1nn(-c2ncc(CCl)cc2Br)c(CC)c1I 2093910375 ZNFLQRINEIEZJI-UHFFFAOYSA-N 454.537 4.498 50 10 JIGE CN([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(CBr)ccc1Cl 2123209133 GPJVOIMVVYDVSY-KRWDZBQOSA-N 457.821 4.130 50 10 JIGE O=C(c1cc(Br)ccc1Br)N1C[C@@H]2CC(Br)C[C@H]2C1 2128654059 BCALLIFBGIHCRD-IUCAKERBSA-N 451.984 4.457 50 10 JIGE O=C(c1cc(I)ccc1F)N1C[C@@H](Br)CCC12CCC2 2174527555 UBYDKVNZBCEXGF-JTQLQIEISA-N 452.105 4.353 50 10 JIGE Cc1ccnc(C(=O)N[C@H](CCBr)COCc2ccccc2)c1Br 2303551482 ZKADLYZSCPAXBC-OAHLLOKOSA-N 456.178 4.253 50 10 JIGE F[C@H]1C[C@@H](Br)CN(Cc2ccc(I)c(Br)c2)C1 2306220033 SKMJIALHAZNPRN-ZJUUUORDSA-N 476.953 4.361 50 10 JIGE O=C(Cn1c(C(F)(F)F)nc2ccccc21)NN=Cc1ccc(OC(=O)C=Cc2ccco2)cc1 2313653244 IKOVUFNHGMYHCA-UHFFFAOYSA-N 482.418 4.417 50 10 JIGE O=C(NN=Cc1ccc(O)c(Br)c1)c1ccc2nc(-c3ccccc3O)[nH]c2c1 2323739882 YBPWKUWBXXZQPT-UHFFFAOYSA-N 451.280 4.168 50 10 JIGE N#CC(=C(O)CCCN1C(=O)c2ccccc2C1=O)c1nc(-c2ccc3c(c2)OCCO3)cs1 2331330081 SVFKIPLXNVXQTE-UHFFFAOYSA-N 473.510 4.450 50 10 JIGE O=C(N[C@H]1CC[C@@H]2C[C@]12CCl)c1ccc(I)c(Br)c1 2331770913 AXLIBNBVTZNTDC-LJWDBELGSA-N 454.533 4.191 50 10 JIGE CC[C@H]1CN(C(=O)c2ccc(Cl)cc2I)C[C@H]1CBr 2340055516 FRSZMGJHNCUQFC-VHSXEESVSA-N 456.549 4.438 50 10 JIGE CCOc1cccc(-n2ccnc2CCN2C(=O)c3ccccc3C2=O)c1CBr 2341808642 HJGWLVUTPCIENN-UHFFFAOYSA-N 454.324 4.005 50 10 JIGE C[C@@H](Cl)C[C@@H]1COCCN1Cc1ccc(I)c(Br)c1 2349856145 NLOOXEZXSFHXCP-ZYHUDNBSSA-N 458.565 4.272 50 10 JIGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=O)c1ccc(OCCOc2ccccc2)cc1 14039459 KHKYCGPZYSKQSK-FQEVSTJZSA-N 462.546 4.498 50 10 JIGE CCCOc1ccc(Br)cc1C(=O)NNC(=O)CCC(=O)Nc1cccc(Cl)c1C 14652666 HXOKKENDHSITMF-UHFFFAOYSA-N 496.789 4.380 50 10 JIGE CC(C)Oc1ccc(C(=O)NNC(=O)COc2cccc3ccccc23)cc1Br 14658881 RWJCKXUYZMXVMH-UHFFFAOYSA-N 457.324 4.230 50 10 JIGE COc1cccc(CN2c3ccccc3C3=C([C@@H](c4ccc(F)cc4)C(C#N)=C(N)O3)S2(=O)=O)c1 20558733 NXXZFOYKMPIFNL-QHCPKHFHSA-N 489.528 4.361 50 10 JIGE COc1ccc(/C=C\C(=O)OCC(=O)N(NC(=O)Nc2ccccc2)c2ccccc2)cc1OC 35681577 PBCILQNNCGNSTF-PEZBUJJGSA-N 475.501 4.030 50 10 JIGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(OC)cc4)ccc32)c1 38684898 WARMKKZPUAVCMG-AREMUKBSSA-N 472.497 4.296 50 10 JIGE CCOc1ccc(C(=O)NNC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)cc1OC 69584863 XRXIOERZQFNOIC-UHFFFAOYSA-N 488.466 4.251 50 10 JIGE CCCCCCCC(=O)NC(=S)NNC(=O)COc1ccc2ccccc2c1Br 100171097 KUOMMEDZBLDXBO-UHFFFAOYSA-N 480.428 4.364 50 10 JIGE CCN1C(=O)/C(=N\NC(=O)COc2ccc(Cl)cc2Cl)c2cc(Br)ccc21 100192605 GTURHFRMOSMKDN-QJOMJCCJSA-N 471.138 4.022 50 10 JIGE Cn1c(=O)oc2cc([C@@H](Br)c3csc(I)c3)ccc21 124428472 YFZDUUGATWVHII-GFCCVEGCSA-N 450.095 4.282 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CCC[C@H]1CBr 232478236 WZJNEDAFVNFMCJ-VIFPVBQESA-N 472.946 4.053 50 10 JIGE CCN(CC)c1ccc(C=NNC(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 254556093 ALVREYSHPJCEFA-UHFFFAOYSA-N 459.506 4.457 50 10 JIGE O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)NN=Cc1c[nH]c2ccccc12 254560506 WTWMVNOFKKEUIQ-UHFFFAOYSA-N 453.531 4.053 50 10 JIGE CN(Cc1ccccc1)C1CCN(S(=O)(=O)c2cc(CCl)ccc2Br)CC1 717652324 WGVXLABSLHTOED-UHFFFAOYSA-N 471.848 4.473 50 10 JIGE BrCc1cc(Br)cc(Br)c1OC[C@@H]1C[C@@H]2COC[C@H]2O1 724602888 DGLIMRPHOCMWQN-SUZMYJTESA-N 470.983 4.289 50 10 JIGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccccc2Cl)c2ccccc2F)cc1 725391133 UKDFBFREEJYNGL-UHFFFAOYSA-N 459.930 4.133 50 10 JIGE Cc1c(C(=O)Nc2nccs2)oc2c1C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772749270 ZDTMCGWXURLZOE-UHFFFAOYSA-N 473.898 4.329 50 10 JIGE C[C@H](Oc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1F)C(=O)OCc1ccccc1 1858691629 LWKIOVFYZRQHPO-AWEZNQCLSA-N 455.398 4.251 50 10 JIGE Cc1sc2ncn(CC(=O)NNC(=O)c3ccc(C(C)(C)C)cc3)c(=O)c2c1-c1ccccc1 1860770017 POGCYJJVSGXFJU-UHFFFAOYSA-N 474.586 4.192 50 10 JIGE CCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1cc(Br)cc(OC)c1O)C(C#N)=C(N)O2 1865695248 AQPBKLPBXRXNSS-IBGZPJMESA-N 497.349 4.138 50 10 JIGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865711583 BTEBHDUXBBHKIA-OAQYLSRUSA-N 493.907 4.376 50 10 JIGE O=C(N[C@H]1C[C@@H]([C@@H](F)CCl)C1)c1ccc(I)c(Br)c1 1906416523 KTHUYSWQXFNYQJ-NGZCFLSTSA-N 460.512 4.139 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C1CC1 1987797497 XBWPMHMOUXFGSH-DLBZAZTESA-N 461.694 4.270 50 10 JIGE Cc1ccc(S(=O)(=O)C(C#N)=C(Nc2ccccc2)N2CCN(c3ccccc3)CC2)cc1 2041576565 BUEOQIVMSFAJJM-UHFFFAOYSA-N 458.587 4.396 50 10 JIGE CCN(CCOCCBr)C(=O)c1c(Br)cccc1Br 2094088639 NIPOMSAIHHHUOK-UHFFFAOYSA-N 457.988 4.085 50 10 JIGE O=S(=O)(c1ccc(CBr)s1)N1CC[C@]2(CCCN(Cc3ccccc3)C2)C1 2179812985 UCAODPNWONKFGR-FQEVSTJZSA-N 469.470 4.320 50 10 JIGE Cc1sc(CBr)cc1S(=O)(=O)N1CC[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 2179819324 KRZBIYHESDNFRQ-ZWKOTPCHSA-N 469.470 4.094 50 10 JIGE COC(=O)c1ccc(C)c(-n2c(C)cc(C=C(C#N)C(=O)N3CCN(c4ccccc4)CC3)c2C)c1 2294171885 HEFAKUGJCYYUNG-UHFFFAOYSA-N 482.584 4.445 50 10 JIGE CC(=NNC(=O)c1ccncc1NS(=O)(=O)c1cccs1)c1ccc(C(C)(C)C)cc1 2297635217 NGIWBAHZEKJFIB-UHFFFAOYSA-N 456.593 4.395 50 10 JIGE Brc1cc(CN2C[C@H]3C[C@H]2C[C@@H]3Br)ccc1I 2306221646 KPMDFOZACHLLRA-VWYCJHECSA-N 470.974 4.411 50 10 JIGE O=C(N[C@@H](CCBr)C(F)F)c1ccc(Cl)cc1I 2317772779 HCZZJBSQMPIBQS-VIFPVBQESA-N 452.464 4.093 50 10 JIGE COc1cc(C=C(C#N)c2ccccc2OC)ccc1OC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 2318356255 GXONGOLFTXJAGX-UHFFFAOYSA-N 492.553 4.237 50 10 JIGE COc1ccc(C(C#N)=Cc2ccc(OC(=O)[C@@H](C)N3C(=O)c4ccccc4C3=O)c(OC)c2)cc1 2320506275 GDNINGGVTNKOJG-QGZVFWFLSA-N 482.492 4.358 50 10 JIGE COc1ccc(CCNC=C(C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 2324599197 PHCRCAJPFYBWPI-UHFFFAOYSA-N 480.612 4.169 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CC[C@@H]2[C@H](C1)[C@@H]2CBr 2333351236 URXSJDRPYCZLQB-WCQGTBRESA-N 498.984 4.157 50 10 JIGE BrCc1cc(Br)cc(Br)c1OC[C@H]1C[C@@H]2OCC[C@@H]2O1 2354620615 DHIVTDPKTYIYRY-WXHSDQCUSA-N 470.983 4.432 50 10 JIGE C[C@H](Br)CN(C(=O)c1cc(I)ccc1O)C1CCCC1 2368861733 NKNHODKHKNWXEH-JTQLQIEISA-N 452.130 4.165 50 10 JIGE CC(C)CCOc1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2Br)cc1 14021722 SKWOAAVPOFTEMD-UHFFFAOYSA-N 469.763 4.367 50 10 JIGE Cc1ccccc1C(=O)N[C@@H](C(=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)C(C)C 27008787 KJGAMDSJLWVIBA-RUZDIDTESA-N 495.583 4.063 50 10 JIGE CC(C)CN(CC(C)C)c1ncnc(NNC(=O)c2ccc(Br)cc2)c1[N+](=O)[O-] 40613934 OSCZMWMERGZWTB-UHFFFAOYSA-N 465.352 4.023 50 10 JIGE CCOC(=O)c1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(OC)cc1)CCC2 40813894 XYLUEYVEKAKDSI-XHLNEMQHSA-N 489.528 4.496 50 10 JIGE COc1ccc(OC)c(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2ccccc2)CCC3)c1 40815669 KLTOLKZFWWBPAY-TURZUDJPSA-N 461.518 4.257 50 10 JIGE CCN1CCN(C(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2coc4cc(C)cc(C)c24)CCC3)CC1 40826936 ILKSFHDPHRWTHK-XHLNEMQHSA-N 490.604 4.128 50 10 JIGE COc1ccc(C/C(C)=N\NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)cc1 97991252 LSKUMSAUYBHONU-XYGWBWBKSA-N 471.966 4.498 50 10 JIGE COC(=O)C[C@@H](NS(=O)(=O)c1ccc(CCCCl)cc1)c1ccc(Br)cc1 110099263 DQAXMCJVOABNFU-GOSISDBHSA-N 474.804 4.203 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)NC[C@H](C)CCBr)cc1Br 136697634 CYLBXQGWNFNCLT-MRVPVSSYSA-N 478.044 4.219 50 10 JIGE C=CCOc1ccccc1CN1C(=O)C(=NNC(=O)COc2ccccc2C)c2ccccc21 245264295 COFVVWHAZIXAHV-UHFFFAOYSA-N 455.514 4.006 50 10 JIGE O=C(NN=Cc1cccc(Cl)c1Cl)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 254700409 CLPMIBFJAVUMLI-UHFFFAOYSA-N 474.797 4.198 50 10 JIGE O=C(COc1ccc2ccccc2c1)NN=C1SCC(=O)N1c1cccc(C(F)(F)F)c1 254757395 NMDUEWJIQFSHFY-UHFFFAOYSA-N 459.449 4.405 50 10 JIGE CO[C@]1(CBr)CCCN(C(=O)c2cc(Br)c(Br)s2)C1 401615213 NALJJKNBBZHYDD-LBPRGKRZSA-N 476.028 4.289 50 10 JIGE CCOC(=O)N1CCC(NC(=O)Nc2cccc(C(=O)Nc3ccc(SC#N)cc3)c2)CC1 586628152 IRYGJHQDAKOUSM-UHFFFAOYSA-N 467.551 4.254 50 10 JIGE Cc1ccc(CCl)c(-n2cnc(I)c2I)c1 686498774 BLFCMUJLOMNADL-UHFFFAOYSA-N 458.468 4.129 50 10 JIGE COc1cc([C@H](Br)c2c(Br)cnn2C)c(OC)cc1Br 693083767 KOHALYWMIKXGLY-LBPRGKRZSA-N 468.971 4.447 50 10 JIGE O=C(N[C@H]1CCC[C@H](Br)C1)c1cc(Br)ccc1I 694518649 WSWOANQCIAAXAK-WPRPVWTQSA-N 486.973 4.490 50 10 JIGE C[C@H](NC(=O)c1cc(I)ccc1Br)C1(CBr)CC1 696077902 YZUWKWNREVBOMB-QMMMGPOBSA-N 486.973 4.347 50 10 JIGE Cc1csc(CCCCNC(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)n1 727230708 PGWVDQOWJCJILT-UHFFFAOYSA-N 456.543 4.137 50 10 JIGE CCOc1cc(C(=O)NN=Cc2cc(Br)ccc2O)cc(OCC)c1OCC 1084523172 ORPMXPYICXCGBA-UHFFFAOYSA-N 451.317 4.115 50 10 JIGE COc1ccccc1/C(C#N)=C/c1cccc(OC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)c1 1615067190 BZOJGGZNBQBCAP-WFVLPUPGSA-N 452.466 4.349 50 10 JIGE C=CCOc1ccc(/C=C\C(=O)NNC(=O)[C@@H](C)Oc2c(C)cc(Cl)cc2C)cc1OC 1623892169 XKMXCMBGGFGQPK-SECOEOQKSA-N 458.942 4.158 50 10 JIGE COC[C@H](C)NC(=O)c1oc2c(c1C)C(=NNC(=O)Cc1coc3c(C)c(C)ccc13)CCC2 1772752011 RFRSFSNPULKIPO-HNNXBMFYSA-N 465.550 4.115 50 10 JIGE CCOc1cc(C=NNC(=O)COc2ccc(C)cc2Br)cc(Br)c1O 1772753952 MLYSZFADBTVNRE-UHFFFAOYSA-N 486.160 4.153 50 10 JIGE Cc1cc(C(=O)N[C@@H](C)C(=O)Nc2ccc(SC#N)cc2)nn1-c1ccc(Br)cc1 1866847114 JAQRPSVOFICRKQ-AWEZNQCLSA-N 484.379 4.273 50 10 JIGE O=S(=O)(N[C@@H](CCBr)COCc1ccccc1)c1sccc1Br 1902777285 LVALBIVPVSLWHP-ZDUSSCGKSA-N 483.247 4.159 50 10 JIGE O=C(CBr)c1cc(Br)c(Br)c(I)c1 2054856114 GTCRLAWDZINARK-UHFFFAOYSA-N 482.735 4.394 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CC[C@H](Cl)[C@H]2CC[C@@H]21 2133722792 LIVDWNHFFPBDMN-CDMKHQONSA-N 454.533 4.286 50 10 JIGE O=C(c1cccc(F)c1I)N1CCC([C@@H](F)CBr)CC1 2163243832 CUJIHRYKAJLMLN-LBPRGKRZSA-N 458.084 4.016 50 10 JIGE CN(C(=O)c1cc(I)ccc1O)C1(CBr)CC(C)(C)C1 2164566655 GCFSOCZSNGAODN-UHFFFAOYSA-N 452.130 4.023 50 10 JIGE O=C(NCC[C@@H]1CCCC[C@@H]1Br)c1ccc(I)c(O)c1 2179637978 VLFZIWNYURUZNR-JQWIXIFHSA-N 452.130 4.070 50 10 JIGE CC1(C)OCCO[C@H]1CO[C@H](CI)c1ccc(Br)cc1 2186963787 NSEDGQHIWIUNAR-KGLIPLIRSA-N 455.130 4.136 50 10 JIGE C[C@H](Br)CN(CC(C)(C)C)C(=O)c1cc(I)ccc1O 2288062507 VOMJJPNFAXCNPO-JTQLQIEISA-N 454.146 4.269 50 10 JIGE CCOC(=O)C(C#N)=Cc1c(Oc2ccc(Br)cc2)nc2c(C)cccn2c1=O 2296719446 UFZGZGBVQSSCRO-UHFFFAOYSA-N 454.280 4.028 50 10 JIGE CCCC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)NNC(=O)c1ccccc1Br 2313681590 IQJVUQOZUKLWCB-UHFFFAOYSA-N 459.319 4.300 50 10 JIGE CCOc1ccc(C=C2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1OCC 2314617286 VJWCQJZDNWLJBZ-UHFFFAOYSA-N 460.486 4.005 50 10 JIGE CC(=O)Oc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1Br 6074013 IAUDVPBWCQLPHO-SDQBBNPISA-N 464.659 4.482 50 10 JIGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)cc1 38683509 VKWDBXXTBKTKQJ-OWJWWREXSA-N 488.471 4.203 50 10 JIGE COC(=O)c1ccccc1N(C)C(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccccc1OC)CCC2 40813125 RCMYLCCQMLAZCJ-TURZUDJPSA-N 489.528 4.130 50 10 JIGE Cc1occc1C(=O)N/N=C/c1ccc(OCc2ccccc2C#N)c(I)c1 59155599 CMEUSXMSXMDAPF-WYMPLXKRSA-N 485.281 4.407 50 10 JIGE O=C(N/N=C\c1ccc(OC(=O)c2ccccc2Br)cc1)c1ccc([N+](=O)[O-])cc1 59421107 JPOLXPFSXUZCLD-QRVIBDJDSA-N 468.263 4.340 50 10 JIGE NNC(=O)c1ccc(COc2c(Br)cc(Br)cc2Br)cc1 70543093 HLRJEGDAUHOCLW-UHFFFAOYSA-N 478.966 4.157 50 10 JIGE COc1cc(/C=C(/C#N)C(=O)NC(C)C)ccc1OC(=O)COc1ccc(C(C)(C)C)cc1 206406469 RWGJWQPXYHWAHU-UYRXBGFRSA-N 450.535 4.409 50 10 JIGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=C/C=C\c2ccc3c(c2)OCO3)cc1OC 254571215 UJJRTLVVGSCVMS-MCKHEWTJSA-N 499.523 4.019 50 10 JIGE COc1cc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)ccc1N 382684888 HIQKASOLVNDVSV-IRXDYDNUSA-N 466.319 4.065 50 10 JIGE O=C(Cl)c1cc(I)cc(Br)c1I 575686176 IVBYHGWPZRMEKS-UHFFFAOYSA-N 471.257 4.037 50 10 JIGE CSc1ccc(C=NNC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(C)cc2)cc1 1083984643 ITMNEHDZUXMLOJ-UHFFFAOYSA-N 467.616 4.371 50 10 JIGE C=CCc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCC#N 1084337148 DUPCOZZVEZBDLI-LTGZKZEYSA-N 491.389 4.336 50 10 JIGE Cc1c(C(=O)N2CCCCC2)oc2c1C(=NNC(=O)c1ccccc1Br)CCC2 1772744586 XIQJBQLHLGIFHE-UHFFFAOYSA-N 458.356 4.447 50 10 JIGE CCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1cc(Br)cc(OC)c1O)C(C#N)=C(N)O2 1865695308 BJPNRTKPVSPARW-IBGZPJMESA-N 499.340 4.328 50 10 JIGE COc1ccc(/C=C(\C#N)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1OC 1866130300 NDKKLLAUIUKEJN-GOOXQAOHSA-N 462.594 4.020 50 10 JIGE C[C@H](Br)C1(NC(=O)c2ccc(Br)cc2I)CC1 2026216556 GLCDHHVHASYNAK-ZETCQYMHSA-N 472.946 4.100 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CC=C(CBr)CC1 2051399712 CTITVQPKSHQQDV-UHFFFAOYSA-N 484.957 4.221 50 10 JIGE C[C@H](Br)C[C@H]1COCCN1Cc1cc(Cl)ccc1I 2128885639 VWQXHPDGSGFOGX-GWCFXTLKSA-N 458.565 4.319 50 10 JIGE O=S(=O)(N[C@@H]1CCC[C@@H]1CCBr)c1cc(Br)ccc1Br 2146773614 OPCBWNGMILXIRY-BXKDBHETSA-N 490.055 4.444 50 10 JIGE CC(C)(C)OC(=O)Nc1cccc([S@](C)(=O)=NC(=O)N2CCC(Br)CC2)c1 2162870483 FHMDJNVXGWAZIK-MHZLTWQESA-N 460.394 4.470 50 10 JIGE CC(C)(C)OC(=O)N[C@@H]1CCCCCN(S(=O)(=O)c2ccc(CBr)cc2)C1 2163059302 RYTCZKCIKWICIR-MRXNPFEDSA-N 461.422 4.040 50 10 JIGE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)[C@H](Br)C2CCCC2)CC[C@@H]1C(F)(F)F 2167032691 KKLYMNUSBYTWAG-BFHYXJOUSA-N 457.331 4.244 50 10 JIGE CCc1ccc(NC(=O)C(C#N)=Cc2cc(I)c(O)c([N+](=O)[O-])c2)cc1 2294147005 SZEAKLGUYQILJW-UHFFFAOYSA-N 463.231 4.013 50 10 JIGE CCCc1cc(C(=O)OC)c(NC(=O)C(C#N)=Cc2c[nH]nc2-c2ccc(OC)c(OC)c2)s1 2295347845 AVOMIRAFUCFHFC-UHFFFAOYSA-N 480.546 4.440 50 10 JIGE Cc1ccc(C(=O)C=C(O)C(=O)NNC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1 2297532595 DIKDSWPLWFGRST-UHFFFAOYSA-N 451.482 4.296 50 10 JIGE CC(C)[C@@H](CI)NC(=O)c1ccc(Cl)cc1I 2301792146 LTKHKWVDQARJKS-LLVKDONJSA-N 477.511 4.134 50 10 JIGE COc1ccc(-c2ccc(C(=O)NNC(=O)C=Cc3cccc(OC(C)C)c3)c(C)n2)cc1OC 2321173300 UZYVVMODFNKYBM-UHFFFAOYSA-N 475.545 4.336 50 10 JIGE O=C(N[C@H]1C[C@@H](CBr)[C@H]2C[C@H]12)c1cc(I)ccc1Br 2329869872 JXTMBRHTQWVJSN-DTITTZBUSA-N 498.984 4.203 50 10 JIGE O=C(N[C@H]1CC[C@@H]2C[C@]12CBr)c1ccc(Br)cc1I 2333350139 HWSJIPRNTHXJKA-CWONEXCFSA-N 498.984 4.347 50 10 JIGE CC(C)(C)OC(=O)NCC[C@H]1CCN(C(=O)[C@H]2C[C@H](Br)C2)[C@@H](C(F)(F)F)C1 2362898998 YZFLAWMXSMDDQN-XDQVBPFNSA-N 457.331 4.244 50 10 JIGE O=C(COc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)c1ccc(Cl)cc1Cl 12501424 OHIYYLURQXVOCY-UHFFFAOYSA-N 467.161 4.015 50 10 JIGE N#C/C(=C/c1c(Oc2ccccc2)nc2ccccn2c1=O)S(=O)(=O)c1ccc(Cl)cc1 35330120 QSZLIYLHHYXLRD-RGEXLXHISA-N 463.902 4.479 50 10 JIGE COc1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1 40846822 GQRAGVATHQMRAK-VULFUBBASA-N 454.910 4.465 50 10 JIGE Cn1c(=O)n(C)c2cc([C@H](Br)c3ccc(Br)o3)c(Br)cc21 51952406 HJBJVHAMECIHNM-ZDUSSCGKSA-N 478.966 4.479 50 10 JIGE COc1ccccc1/C(C)=N\NC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 97991264 SZYGVPXMLCOBLY-IWIPYMOSSA-N 457.939 4.303 50 10 JIGE CCCOC(=O)c1cc(-c2ccc(/C=C3\C(=O)N(C[C@H](C)O)C(=O)C(C#N)=C3C)o2)ccc1Cl 103693505 RVICBVPJNTUVGZ-DZBQEORWSA-N 482.920 4.140 50 10 JIGE CCCCN(CCCC)CN1C(=O)C(=NNC(=O)c2ccc(OC)c(OC)c2)c2ccccc21 254626639 JWYMRVPAIMYKPK-UHFFFAOYSA-N 466.582 4.044 50 10 JIGE CC(=NNC(=O)c1nnn(-c2nonc2N)c1-c1ccccc1)c1ccc(C2CCCCC2)cc1 254870777 CJFKCZWYVNDAMD-UHFFFAOYSA-N 470.537 4.101 50 10 JIGE Brc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2CI)cn1 382732782 VJGSHQFUDGYULI-CVEARBPZSA-N 457.153 4.495 50 10 JIGE COCCN(Cc1ccccc1)S(=O)(=O)c1cc(Br)cc(CCl)c1F 384386691 PXKIOPBTFDKKOT-UHFFFAOYSA-N 450.757 4.164 50 10 JIGE CC[C@H](Br)[C@@H](C)NS(=O)(=O)c1cc(Br)c(C)cc1Br 386693032 KURKNSLPYVZQHL-BDAKNGLRSA-N 478.044 4.360 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2CC[C@@H](Br)C[C@H]2C)cc1Br 705595221 CZZWDWCXHMJUGO-NXEZZACHSA-N 490.055 4.457 50 10 JIGE O=S(=O)(N[C@H](CBr)CC(F)(F)F)c1ccc(Br)cc1Cl 717832685 ZJDDRHNVTWZMAN-ZETCQYMHSA-N 459.509 4.097 50 10 JIGE O=C(NNC(=O)[C@H](Oc1ccc(F)c(Cl)c1)c1ccccc1)c1cc(Br)c[nH]1 730519394 KMXLFMHCJWJZAC-QGZVFWFLSA-N 466.694 4.151 50 10 JIGE CC1=C(C(=O)NN=Cc2ccccc2Cl)[C@H](c2ccc(Br)cc2)NC(=S)N1 1084154795 HYEGMHVFIVVHKT-KRWDZBQOSA-N 463.788 4.046 50 10 JIGE Cc1cc(C=NNC(=O)c2cccc3ccccc23)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 1084536104 WHXXVOQEPDRWCS-UHFFFAOYSA-N 455.470 4.408 50 10 JIGE Cc1ccnc(-n2c(SCC(=O)N/N=C3\C[C@H]4CC[C@@]3(C)C4(C)C)nc3ccccc3c2=O)c1 1086830012 BVHAXCQORVEYCT-RNARAADXSA-N 475.618 4.500 50 10 JIGE C=C(C)[C@H](NC(=O)NNC(=O)Nc1cc(OC)c(Cl)cc1OC)c1ccc(F)c(F)c1 1469856869 NTUQBSDEUIUPKC-SFHVURJKSA-N 454.861 4.289 50 10 JIGE CCOc1cc(C=NNC(=O)COc2ccccc2C)ccc1OC(=O)c1ccc(OC)c(OC)c1 1772719826 ZVYZRSDVQTZBFI-UHFFFAOYSA-N 492.528 4.159 50 10 JIGE Cc1nc(-c2ccc(F)c(F)c2)ccc1C(=O)NNC(=O)Cc1ccc(Br)cc1 1865756992 ILEUSZOGBKBBFH-UHFFFAOYSA-N 460.278 4.101 50 10 JIGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)C[C@H]2CC(=O)c3ccccc32)cc1 1867235993 RZLPTGCNRVJUKC-HOYKHHGWSA-N 485.565 4.392 50 10 JIGE CCOC(=O)Cc1c(CBr)ccc(I)c1Br 2054992509 PEGOWUMZXLSLLB-UHFFFAOYSA-N 461.919 4.054 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@H]2C[C@H]1CC[C@@H]2Br 2088646981 OXXVIVAJUVODMA-UISBYWKRSA-N 498.984 4.442 50 10 JIGE FC(F)(F)c1cnc(N2C[C@H](Br)[C@H](C3CC3)C2)c(I)c1 2146826953 JNUAFDXVIZKVCZ-UWVGGRQHSA-N 461.063 4.315 50 10 JIGE C[C@@H](CBr)[C@H]1CCCCN1C(=O)c1cc(I)ccc1F 2169668303 OMKWDZRIJWLSMA-IINYFYTJSA-N 454.121 4.456 50 10 JIGE Cc1cc(C(=O)N2C[C@@H](CBr)CC(C)(C)C2)ccc1I 2207105028 SPOIIAKMDRMQPZ-GFCCVEGCSA-N 450.158 4.483 50 10 JIGE CC(C)(CBr)c1cn(-c2ccc(Br)cc2I)nn1 2223528857 GYNCDTNDJZRBCO-UHFFFAOYSA-N 484.961 4.307 50 10 JIGE COc1cc(Cl)cc(C=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2)c1O 2295489507 YAEWHUIXIUZPHW-UHFFFAOYSA-N 492.963 4.041 50 10 JIGE Cc1ccnc(C(=O)N[C@H](CCBr)COCc2ccccc2)c1Br 2303547740 ZKADLYZSCPAXBC-OAHLLOKOSA-N 456.178 4.253 50 10 JIGE CCOc1cc(C=C(C#N)C(=O)N(C)C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 2313568931 ZFXYOAOZGFKMSI-UHFFFAOYSA-N 474.311 4.330 50 10 JIGE CCOc1ccc(C=NNC(=O)c2cccn(Cc3ccccc3Cl)c2=O)cc1OCC 2323652806 DDTHHOZNQLSJLT-UHFFFAOYSA-N 453.926 4.111 50 10 JIGE CCCOc1ccc(C=NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1OCC 2325902843 OCRLGQDRXDUXDO-INIZCTEOSA-N 482.606 4.236 50 10 JIGE Cn1cnc(Br)c1[C@H](Br)c1ccc2c(c1Br)CCO2 2337317056 LBKXQLQUWOTJNH-LLVKDONJSA-N 450.956 4.364 50 10 JIGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)COc2ccc(Cl)cc2Br)cc1 13983061 UQGUTUPKNQIBIQ-ZDUSSCGKSA-N 469.763 4.221 50 10 JIGE COc1ccccc1C(=O)N/N=C/c1c(O)c(I)cc2oc3c(c12)CCCC3 27522181 IVNWGDCOTPBSRY-FOKLQQMPSA-N 490.297 4.394 50 10 JIGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)/C(C#N)=C/c1ccccc1OC 33777026 ONMJZFNJNNVBRH-ZSUPECQLSA-N 497.507 4.423 50 10 JIGE COc1ccc(CNc2ncnc(NNC(=O)c3ccc(Cl)cc3Cl)c2[N+](=O)[O-])cc1 40619311 NGDOSBWNXNYMKL-UHFFFAOYSA-N 463.281 4.069 50 10 JIGE Nc1c(NNC(=O)c2ccc(Br)cc2)ncnc1Nc1ccc(OC(F)(F)F)cc1 40784545 CXJMJQCIOAJOOL-UHFFFAOYSA-N 483.248 4.220 50 10 JIGE COc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1cccnc1)CCC2 40814094 UOWRVCLPGNVKGK-JVWAILMASA-N 452.898 4.368 50 10 JIGE CC1(C)CN(C(=O)c2ccc(Br)cc2Br)C[C@H](CBr)O1 232802303 TXBJKJHFZHNZMU-JTQLQIEISA-N 469.999 4.226 50 10 JIGE C[C@@H]1C[C@H](CBr)CN(S(=O)(=O)c2cc(Br)ccc2Br)C1 398690584 NRVXRRVQLLNXDT-NXEZZACHSA-N 490.055 4.253 50 10 JIGE O=S1(=O)CCC[C@@H]1[C@@H](Br)c1cc(Br)sc1Br 694702291 RLUPHSIQQUDQSH-SVRRBLITSA-N 453.015 4.286 50 10 JIGE Cc1ccc(OCCCNC(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)cc1 726262326 AFHMUEQFBZXONX-UHFFFAOYSA-N 451.498 4.126 50 10 JIGE COc1cc(C=NNC(=O)CCC(=O)Nc2ccc(Br)cc2)ccc1OC(C)C 1084475925 YJHGJXDVSYIHHW-UHFFFAOYSA-N 462.344 4.114 50 10 JIGE O=C(NNC(=O)c1ccc(Br)cc1)N[C@@H](COc1ccccc1)c1ccccc1 1318597998 AMFUMJUNJSFWFP-FQEVSTJZSA-N 454.324 4.213 50 10 JIGE CC(=O)N(C)c1ccc(NC(=O)NNc2c(Br)cccc2Br)cc1 1658822086 TUDRKZUIJOTGOO-UHFFFAOYSA-N 456.138 4.343 50 10 JIGE COc1ccc(CCNC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(F)cc2)CCC3)cc1OC 1772745413 YQGXZZQZOZUECA-UHFFFAOYSA-N 493.535 4.187 50 10 JIGE CCOc1ccccc1OCC(=O)NN=C1C(=O)N(Cc2ccccc2Cl)c2ccccc21 1772752384 CEERXDYAPMLVLN-UHFFFAOYSA-N 463.921 4.185 50 10 JIGE CCCCC1CCC(C(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)CC1 1860771666 CTXDLDTTZDJRRE-MRLCAUJQSA-N 472.655 4.288 50 10 JIGE CCN(CC)Cc1ccc(/C=N/NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 1860773924 KAZVVTGWSJFBAI-AJBMTWKMSA-N 479.650 4.136 50 10 JIGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)cc(OC)c1O 1865715146 XDLNKNHZGPLWCE-KRWDZBQOSA-N 490.413 4.030 50 10 JIGE Cc1nc(C)c(CC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)s1 1866573040 YFBFUYUAIRQNNH-FQEVSTJZSA-N 468.579 4.381 50 10 JIGE N#CSc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc(-c3ccncc3)[nH]n2)cc1 1867162308 BYKSVARGHRCXCI-QFIPXVFZSA-N 468.542 4.025 50 10 JIGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(NS(C)(=O)=O)cc3)n2)cc1OC 1872745364 JZTUIFBQVWZBHY-SILNSSARSA-N 457.533 4.149 50 10 JIGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCc3nc4ccccc4[nH]c3=O)n2)c(OC)c1OC 1872759747 YKEFXAFLHYNYMU-HKWRFOASSA-N 490.541 4.498 50 10 JIGE COc1cc(/C=N/NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)ccc1OCc1ccccc1 1873794889 HMADRYCTBNOWLA-NTRYICDMSA-N 453.539 4.124 50 10 JIGE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H](Cl)c2ccccc2)CCN1C(=O)OC(C)(C)C 1999367324 YLLDKFWQTIPBOF-QGZVFWFLSA-N 453.967 4.198 50 10 JIGE CC(CCl)(CCl)NC(=O)c1ccc(Br)cc1I 2026215714 BHCABWRFNIFYDE-UHFFFAOYSA-N 450.929 4.020 50 10 JIGE CN(C1(CCBr)CCC1)S(=O)(=O)c1cc(Cl)c(Br)s1 2140954964 NEEUQEXDKJUBOU-UHFFFAOYSA-N 451.633 4.492 50 10 JIGE CC1(C)[C@@H](Br)CC[C@H]1NS(=O)(=O)c1cc(Cl)c(Br)s1 2142124204 VYPRPMNRKUDWSR-JGVFFNPUSA-N 451.633 4.394 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CC[C@H](CBr)C12CC2 2142279266 NWZHOWCLXLRHQQ-SECBINFHSA-N 498.984 4.443 50 10 JIGE Clc1cc(CN2C[C@H](CBr)OCC23CC3)ccc1I 2142944726 UJDQDPFGDCFOQR-NSHDSACASA-N 456.549 4.073 50 10 JIGE CC1(C)C[C@@H](NS(=O)(=O)c2ccc(CBr)cc2)CN(Cc2ccccc2)C1 2146372037 VSSJUBLDXIIJJB-LJQANCHMSA-N 451.430 4.161 50 10 JIGE C[C@H]1CN(Cc2ccccc2)[C@H](C)CN1S(=O)(=O)c1cc(F)ccc1CBr 2179785178 IPUZKIXOXHMGQL-CVEARBPZSA-N 455.393 4.004 50 10 JIGE Cc1cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC(C)(C)C2)sc1CBr 2179824252 SNNKSDVDNCRRRG-UHFFFAOYSA-N 471.486 4.484 50 10 JIGE Cc1cc(C(=O)N2[C@H]3CC[C@H]2[C@H](F)[C@@H](Br)C3)ccc1I 2207096415 KHAONCXGPDJQSO-AUZPSNTRSA-N 452.105 4.078 50 10 JIGE CC[C@H](C)[C@H](CI)NC(=O)c1ccc(C)c(I)c1 2217853478 UWWYITXFTJGNHQ-ZANVPECISA-N 471.120 4.179 50 10 JIGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)c1cc2ccccc2oc1=O 2297368726 FDRHWIRANWDGDH-UHFFFAOYSA-N 480.476 4.244 50 10 JIGE O=C(N[C@H](CCCl)COCc1ccccc1)c1ccc(F)cc1I 2303707099 ORRKCKVRMXLUMJ-OAHLLOKOSA-N 461.702 4.374 50 10 JIGE COc1cc(F)c(CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2I)c(Cl)c1 2317107640 PXCOBKDBCHTJRZ-LSDHHAIUSA-N 485.721 4.427 50 10 JIGE COCCOc1ccc(C=C(C#N)C(=O)Nc2ccc(I)cc2F)cc1 2331122564 DHRPCUZGRUTMJA-UHFFFAOYSA-N 466.250 4.001 50 10 JIGE C[C@H](Br)CN(CC(C)(C)C)C(=O)c1c(Br)c(Br)nn1C 2364008924 YOJUVYFHXJRZEE-QMMMGPOBSA-N 474.035 4.217 50 10 JIGE CCOc1cc(C=NNC(=O)c2ccc(OC)cc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 695109 YDHSOXRJOXMKGT-UHFFFAOYSA-N 475.545 4.492 50 10 JIGE Cc1cc2c(c(=O)n1CCc1ccccc1)[C@@H](c1ccccc1Br)C(C#N)=C(N)O2 2445116 ZFEGIFZJARDSNT-NRFANRHFSA-N 462.347 4.380 50 10 JIGE C[C@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc([N+](=O)[O-])cc1 38654796 ODOJPFSVNXBSBF-LFVRLGFBSA-N 475.432 4.325 50 10 JIGE O=C(NNc1ncnc(N2CCc3ccccc3C2)c1[N+](=O)[O-])c1ccc(Cl)cc1Cl 40647668 XXYHKOZMOKDCEW-UHFFFAOYSA-N 459.293 4.011 50 10 JIGE O=C(NNc1ncnc(NCc2ccc(Cl)cc2)c1[N+](=O)[O-])c1ccccc1Br 40657070 UJQMERKJKZESNG-UHFFFAOYSA-N 477.706 4.170 50 10 JIGE COc1ccccc1Oc1ncnc(NNC(=O)C(c2ccccc2)c2ccccc2)c1[N+](=O)[O-] 40659394 KITUOKOADBVLGE-UHFFFAOYSA-N 471.473 4.461 50 10 JIGE COC(=O)c1ccccc1N(C)C(=O)c1oc2c(c1C)/C(=N/NC(=O)c1cccs1)CCC2 40823651 PPJKGJPMKOPFJZ-PCLIKHOPSA-N 465.531 4.183 50 10 JIGE Cc1nn2c(=O)c3ccccc3[nH]c2c1/C=C(/C#N)S(=O)(=O)c1cc(Cl)ccc1Cl 103708673 KCMDVPSEVXVEMD-LCYFTJDESA-N 459.314 4.129 50 10 JIGE CCOc1ccc(/C=N\NC(=O)c2cccn(Cc3cccc(Cl)c3)c2=O)c(OCC)c1 169920618 BIHBQJSBNSIHAF-YSMPRRRNSA-N 453.926 4.111 50 10 JIGE CC(C)[C@H](CBr)NC(=O)c1cc(Br)ccc1I 232853207 SKLLQNTZDUNYEG-NSHDSACASA-N 474.962 4.203 50 10 JIGE COc1ccc(OC)c(C=NNC(=O)/C(=C/C=C/c2ccccc2)NC(=O)c2ccccc2)c1 254743561 HPGCTSQDJIXFQK-GCFBECLXSA-N 455.514 4.181 50 10 JIGE CCOc1cc(C=NNC(=O)Cc2ccc(OC)c(OC)c2)ccc1OC(=O)c1ccc(F)cc1 254753853 SHXVOLGHJDXBCB-UHFFFAOYSA-N 480.492 4.154 50 10 JIGE C[C@H]1C[C@H](Br)CCN1S(=O)(=O)c1cc(Br)ccc1Br 705605257 NUOQQICPQXEZFA-WCBMZHEXSA-N 476.028 4.148 50 10 JIGE COc1ccc(NC(=O)C(=O)NN=Cc2cc(C)n(-c3ccccc3Cl)c2C)cc1Cl 1084132648 NENYBJHBMJTLNV-UHFFFAOYSA-N 459.333 4.498 50 10 JIGE Cc1cccc(Cl)c1COc1ccc(C=NNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)o1 1084340405 IDDRWLDSBVTVOR-UHFFFAOYSA-N 458.814 4.401 50 10 JIGE CC(=O)Nc1ccc(C(C)=NNC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)cc1 1084363547 RFMYFNJCMISNDZ-UHFFFAOYSA-N 498.992 4.034 50 10 JIGE CCOc1cc([C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CI)ccc1OC 1614688115 JAUXFQNJNBTLSR-LSDHHAIUSA-N 461.340 4.479 50 10 JIGE Cc1c(C(=O)N2c3ccccc3C[C@H]2C)oc2c1C(=NNC(=O)COc1ccccc1)CCC2 1772748793 DSJCSEKAHCXHEF-QGZVFWFLSA-N 457.530 4.415 50 10 JIGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(OC)c1)C(C#N)=C(N)O2 1865706027 LZGHELJLHVUMHW-OAQYLSRUSA-N 450.926 4.470 50 10 JIGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(C)cc2)cc1OC 1865707438 XBVFGRNOOJYDPM-IBGZPJMESA-N 470.451 4.494 50 10 JIGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccccc1[N+](=O)[O-])C(C#N)=C(N)O2 1865709676 DVINNICHYBEQNR-SFHVURJKSA-N 466.295 4.324 50 10 JIGE CN(CC1CC(Br)C1)[C@H](CN)c1cc(Br)cc(Br)c1 1887879952 QIMQKZIGISPAOW-PFMWSLTASA-N 455.032 4.317 50 10 JIGE O=C(NC1(C(=O)NC[C@H]2C[C@H](Br)C2)CC1)OCC1c2ccccc2-c2ccccc21 1891054298 LSYQVQZZWQCTLG-WKILWMFISA-N 469.379 4.347 50 10 JIGE C[C@H]1C[C@@H](Br)CN1Cc1ccc(I)c(Br)c1 1904343176 FWLCDLVFFLYJLJ-WCBMZHEXSA-N 458.963 4.411 50 10 JIGE CC[C@@H]1CCOC[C@H]1O[C@@](C)(CI)CN(CC)C(=O)OC(C)(C)C 1947169674 QPFMERHZCFWLQZ-RKVPGOIHSA-N 455.377 4.269 50 10 JIGE CCOC(=O)c1c(CBr)ccc(I)c1OC(F)(F)F 2055268538 WIFONDIIRYNOFH-UHFFFAOYSA-N 452.992 4.261 50 10 JIGE CCCCCC[C@H]1[C@H]2C3=C(C[C@@]4(C)C(=O)O[C@@]2(OC)C4=C[C@@H]1CC[C@@H](O)CCC)C(=O)OC3=O 2080450588 YOJPQRLCNIGWGF-BVIODKHOSA-N 474.594 4.376 50 10 JIGE ClCCOCc1cn(-c2c(Br)cc(Br)cc2Br)nn1 2089822004 WARKAUGRNRZJKO-UHFFFAOYSA-N 474.378 4.310 50 10 JIGE CC[C@H](Br)CN(C)S(=O)(=O)c1cc(Br)c(C)cc1Br 2106616433 UWZLYUJDBSAOCI-VIFPVBQESA-N 478.044 4.314 50 10 JIGE O=S(=O)(N1CCC(CCBr)CC1)N(CCC(F)(F)F)Cc1ccccc1 2123370871 SXMDTRSKFYRCBD-UHFFFAOYSA-N 457.356 4.183 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCNCc1cc([N+](=O)[O-])ccc1Br 2125302775 XJPPQDSRQHBXRB-UHFFFAOYSA-N 466.423 4.353 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@H](Cl)CC2(CC2)C1 2142281631 SEIYTBNPCHGWPI-SNVBAGLBSA-N 454.533 4.287 50 10 JIGE C[C@@H]1CCN(C(=O)c2ccc(Br)cc2I)C[C@H]1CCl 2142289488 QKGYVSVXNFIPPD-NXEZZACHSA-N 456.549 4.391 50 10 JIGE C[C@H](CBr)[C@H]1CCCCN1C(=O)c1cc(I)ccc1F 2169668304 OMKWDZRIJWLSMA-QMTHXVAHSA-N 454.121 4.456 50 10 JIGE O=S(=O)(c1ccc(CBr)s1)N1CC[C@H]2CCN(Cc3ccccc3)C[C@@H]2C1 2179812942 QUZYTTUJENJRIZ-QZTJIDSGSA-N 469.470 4.176 50 10 JIGE O=S(=O)(c1ccc(CBr)s1)N1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 2179823601 LLADVMPKXKWMAV-IEBWSBKVSA-N 469.470 4.318 50 10 JIGE CC(C)(C)OC(=O)N[C@H]1CN(CCCCCI)CC[C@H]1C(F)(F)F 2214697750 ROLANAFFNANHPQ-OLZOCXBDSA-N 464.310 4.369 50 10 JIGE Cc1nc(CC(CBr)(CBr)c2ccc(Br)cc2)nn1C 2236491334 LSCIRBVSTJTDAZ-UHFFFAOYSA-N 466.015 4.156 50 10 JIGE CC1(C)OCCN(Cc2ccc(I)c(Cl)c2)[C@@H]1CBr 2267691114 GJGALAJBBZDPIO-CYBMUJFWSA-N 458.565 4.319 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N1CCC[C@@](F)(CBr)C1 2295309842 OISGATZRWRPARE-CQSZACIVSA-N 471.990 4.480 50 10 JIGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)NC[C@@H]3CCCO3)c(Oc3ccc(Cl)cc3Cl)nc12 2296722559 KOHSSXBUQJBTLN-KRWDZBQOSA-N 499.354 4.304 50 10 JIGE COC(=O)c1cc(NC=C(C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc(C(=O)OC)c1 2296764778 SALQQBQQEJNNCT-UHFFFAOYSA-N 464.459 4.268 50 10 JIGE COc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2OC)cc1OC 2314738410 OUZUXIPDUMOCIX-UHFFFAOYSA-N 488.496 4.148 50 10 JIGE CCCOc1cc(C=NNC(=O)c2cccn(Cc3ccc(Cl)cc3)c2=O)ccc1OC 2323648491 ILRAHNLPARZMIK-UHFFFAOYSA-N 453.926 4.111 50 10 JIGE COCCCN1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4cccc(OC)c4)cs3)cc2C1=O 2331246494 SUZZNJDHKSTMGL-UHFFFAOYSA-N 475.526 4.401 50 10 JIGE COCCN(C)C[C@@H](Br)CCc1ccc(Cl)cc1I 2341041160 KHTKRKWVUZFGRF-LBPRGKRZSA-N 460.581 4.219 50 10 JIGE O=C(c1sccc1I)N1CCC[C@H](Br)[C@H]1C(F)(F)F 2344128404 OHINYBNKVSPBJX-RCOVLWMOSA-N 468.076 4.283 50 10 JIGE O=C(N[C@@H]1C[C@@H](CBr)C12CCC2)c1ccc(F)cc1I 2379718927 KLHGQYRGRBDOAG-TVQRCGJNSA-N 452.105 4.114 50 10 JIGE Cc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)N4CCN(c5ccccc5F)CC4)c(C)c32)c1 40811314 BFRPZLMQZVTHOU-JBASAIQMSA-N 488.563 4.468 50 10 JIGE COc1ccc(OC)c(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2F)CCC3)c1 40812317 MRDLVKGCAWQWCC-MTDXEUNCSA-N 465.481 4.467 50 10 JIGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2ccc(OC)cc2)c(OC)c1 40990440 PUHFRQLREBEULS-CAPFRKAQSA-N 466.534 4.292 50 10 JIGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)S/C2=C(/C#N)C(=O)NC)cc1 101240468 WMHNENLHMNLSEV-SBOLGIJOSA-N 470.392 4.184 50 10 JIGE CN1CCN(c2ccc(N/C=C(/C#N)C(=O)NC(c3ccccc3)c3ccccc3)cc2)CC1 216977449 IRGVTZWULFONRJ-FLFQWRMESA-N 451.574 4.164 50 10 JIGE CC(C)[C@@H](Br)CNC(=O)c1cc(I)ccc1Br 232693817 RLPQNPIVJACHNG-NSHDSACASA-N 474.962 4.203 50 10 JIGE O=C(NCCCCI)c1ccc(Br)c(C(F)(F)F)c1 236137459 IDSRBXISRMHOSG-UHFFFAOYSA-N 450.036 4.413 50 10 JIGE COC(=O)[C@@H](Br)C1(Oc2ccc(Br)cc2Br)CCC1 311392552 MXVJAZSHZRXOCH-LLVKDONJSA-N 456.956 4.450 50 10 JIGE C[C@H]1CN(S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)C[C@@H]1Br 387519753 ACBBQXQFOLALAH-XPUUQOCRSA-N 451.995 4.160 50 10 JIGE Cc1cc(/C=C(\C#N)C(=O)NCC(=O)Nc2ccc(-n3cccn3)cc2)c(C)n1-c1ccc(F)cc1 725759758 FOIIHTKFJCLOKO-RCCKNPSSSA-N 482.519 4.081 50 10 JIGE O=C(NNc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1cccc(OCc2cscn2)c1 728215550 OMBWTGNBVKBMSQ-UHFFFAOYSA-N 480.571 4.280 50 10 JIGE CC1CCN(C(=O)[C@H](C)OC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)CC1 782092019 BJGFNUTYVKZGIK-HJHGFDQJSA-N 479.968 4.214 50 10 JIGE O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NN=Cc1cc(Br)ccc1O 1083907036 PZNOJPAYQHVKHT-UHFFFAOYSA-N 475.221 4.034 50 10 JIGE Cc1cc(Br)cc(Br)c1OCC(=O)NN=Cc1ccc([N+](=O)[O-])s1 1084564000 SWGOYMQXCQWFCU-UHFFFAOYSA-N 477.134 4.019 50 10 JIGE C#Cc1cccc(NC(=S)NNC(=O)c2sc(NC(=O)c3cccc(F)c3)cc2C)c1 1455415182 BAJCYRGZWQUTFH-UHFFFAOYSA-N 452.536 4.061 50 10 JIGE CCOC(=O)c1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(OC)cc1)CCC2 1772746650 XYLUEYVEKAKDSI-UHFFFAOYSA-N 489.528 4.496 50 10 JIGE CCCCC1CCC(C(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)CC1 1860771668 CTXDLDTTZDJRRE-VYMRPNJYSA-N 472.655 4.288 50 10 JIGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1cccc([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865706157 PBRXNFXODXKCRJ-SFHVURJKSA-N 466.295 4.324 50 10 JIGE CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1cc(OC)c(OC)cc1OC)C(C#N)=C(N)O2 1865710645 DFXNXZSCIBYEGV-QHCPKHFHSA-N 460.534 4.377 50 10 JIGE CC(C)[C@@H](C(=O)N[C@H](CO)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Cl)c(Cl)c1 1866992964 BOVIXUHYPBCBFJ-RTBURBONSA-N 466.390 4.422 50 10 JIGE CSCC[C@H](NC(=O)C[C@@H]1CC(=O)c2ccccc21)C(=O)Nc1ccc(SC#N)cc1 1867242490 VRQFEFKFULLHLC-YWZLYKJASA-N 453.589 4.196 50 10 JIGE CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)ccc1OC(C)C 1873794924 JOXSJOCOPGAVTE-XLKFHUSGSA-N 469.582 4.459 50 10 JIGE Cc1c(Br)sc([C@H](Br)[C@H]2CCS2(=O)=O)c1Br 1922931363 BMOYTNXSWPGWEA-IYSWYEEDSA-N 453.015 4.205 50 10 JIGE O=C(N[C@H](CBr)C[C@@H]1CCCO1)c1cc(Br)ccc1Br 1926740374 KGYDQBCFBZWVKM-QWRGUYRKSA-N 469.999 4.274 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OCCOCCC2CC2)C1 2012321158 TWPFXHNQKYWOJX-SFHVURJKSA-N 453.361 4.024 50 10 JIGE CN1CCC[C@@H]([C@@H](Br)c2scc(Br)c2Br)S1(=O)=O 2029049154 FTERQUJOIUZWDL-IONNQARKSA-N 482.057 4.133 50 10 JIGE N#CC(C(=O)COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)=C1Nc2ccccc2S1 2040463601 GESWWOGIMUXORT-UHFFFAOYSA-N 466.474 4.141 50 10 JIGE CN(c1ncc(I)cc1Br)[C@@H](CCCl)C(F)(F)F 2069531660 LAQHZIVKZOBAST-QMMMGPOBSA-N 457.459 4.445 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@](CI)(O[C@H]2CCOC3(CCC3)C2)C1 2076742601 YTCNSPKQNFVAJM-HNAYVOBHSA-N 465.372 4.309 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1CC[C@H](Br)C2(CC2)C1 2093181070 QUGJSRZCZRLSOL-LBPRGKRZSA-N 454.533 4.334 50 10 JIGE CCN(CC)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(CCBr)s1 2123242041 RAANEWYJIXHDIK-UHFFFAOYSA-N 459.475 4.218 50 10 JIGE O=C(N[C@@H]1CC[C@H]2C[C@@]21CBr)c1cc(Cl)ccc1I 2132116803 SEQIAIOKYVAORV-REAQECSSSA-N 454.533 4.238 50 10 JIGE O=S(=O)(C[C@H](Cl)c1cc(I)ccc1Br)N1CCCCC1 2145641179 JRPRELZQDYRBKH-ZDUSSCGKSA-N 492.604 4.149 50 10 JIGE O=S(=O)(c1ccc(CCl)c(Br)c1)N1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 2187750630 OCAVPOHYVDLEOO-WMZOPIPTSA-N 469.832 4.083 50 10 JIGE Cc1nc(CC(CBr)(CBr)c2ccccc2Br)nn1C 2236491947 SBTINWSEBXWZRA-UHFFFAOYSA-N 466.015 4.156 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1C[C@@H]2C[C@H](C[C@@H]2Br)C1 2268343625 XQVWCLWKZVZYIF-MIMYLULJSA-N 454.533 4.190 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H]2C[C@@H](Br)[C@H]1C2 2309945096 UYVMHTIOERLLNU-NYRNMGCKSA-N 484.957 4.052 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@H]2CC[C@H]1C[C@@H]2Br 2362204306 PNZGHTHINDCYAQ-QRTLGDNMSA-N 488.039 4.148 50 10 JIGE Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(C[C@H]2COc3ccccc3O2)C(=O)CCl)cc1 3036110 BHNZMWOUWPGLNT-OFVILXPXSA-N 470.997 4.392 50 10 JIGE O=C(COc1ccc(Cl)cc1Br)N/N=C/c1ccc(OC(=O)c2ccco2)cc1 3081273 MIXPNDQJYDMWOB-FOKLQQMPSA-N 477.698 4.444 50 10 JIGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Br)ccc1OC(C)=O 6600486 LYFVJKSHJWREDS-ZSOIEALJSA-N 474.267 4.227 50 10 JIGE CCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(Cl)cc2Cl)cc1Br 14770926 QCANJDVJJQHKDB-UHFFFAOYSA-N 491.194 4.104 50 10 JIGE Cc1ccc2cc3c(nc2c1)N(c1ccc(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])cc1)CC3 39881544 MVRZSRGZTDOEPC-UHFFFAOYSA-N 467.485 4.220 50 10 JIGE Cc1c(C(=O)Nc2ccncc2)oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2 40812848 ZWATZUUTNSNVPF-YZSQISJMSA-N 467.323 4.468 50 10 JIGE COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2CCc3[nH]c4ccc(C(=O)OC)cc4c3C2)c1C 105904011 UGHSKSFOGZWZLC-QREGZJMFSA-N 474.561 4.072 50 10 JIGE O=C(N/N=C\c1ccc(CCl)cc1O)c1cccc(C(=O)N/N=C/c2cc(CCl)ccc2O)c1 106873596 MOHQWSKFQGSYFQ-DYCUMYEBSA-N 499.354 4.103 50 10 JIGE Cc1ccc(O)c(N/C=C(/C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 216497346 KTPOVXGXYWDVEK-GFMRDNFCSA-N 452.558 4.454 50 10 JIGE O=C(NCCCCI)c1cc(Br)c(Br)s1 232485043 LHBAFDABXBAOPE-UHFFFAOYSA-N 466.964 4.218 50 10 JIGE COc1cccc(COc2ccc(C(=O)NN=Cc3cc(OC)c(OC)cc3OC)cc2)c1 254443715 SIWTYWNLTNZJEW-UHFFFAOYSA-N 450.491 4.064 50 10 JIGE Brc1cc(I)c2c(c1)[C@H](I)CCN2 306944660 YNIPRAWHOULPEE-SSDOTTSWSA-N 463.882 4.345 50 10 JIGE Cn1ncc([C@H](Cl)c2cc(I)cc3c2OCC3)c1Br 379218208 RHFANLBMHVSVNP-LLVKDONJSA-N 453.505 4.050 50 10 JIGE CC(C)(C)OC(=O)N1C[C@H](CBr)[C@H](c2cc(I)ccc2N)C1 382709361 GJWBRMCCCJSHNE-GXFFZTMASA-N 481.172 4.219 50 10 JIGE O=C(NNc1nc(-c2cccnc2)no1)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12 728075116 RGOBPCHXOHUGSQ-UHFFFAOYSA-N 457.425 4.108 50 10 JIGE COc1ccc(C(=O)NNC(=O)[C@@H](Oc2ccc(F)c(Cl)c2)c2ccccc2)cc1OC 730468942 MPGFIODKPRVWLG-NRFANRHFSA-N 458.873 4.078 50 10 JIGE Cc1ccc(-c2cc(C(=O)NN=Cc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3O)c3ccccc3n2)cc1 1083974471 FIHBZGRGNPKLIE-UHFFFAOYSA-N 471.429 4.496 50 10 JIGE CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)NN=Cc2ccccc2Br)cc1 1084095357 YLCIQCRDAGQSLE-UHFFFAOYSA-N 486.391 4.179 50 10 JIGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(C)n(-c3cccc(C(=O)O)c3)c2C)cc1 1084414356 YFAUXQXCPBTCRG-XMMPIXPASA-N 463.534 4.155 50 10 JIGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2cccc(COC3CCCCC3)c2)cc1 1215000813 YHWSIXQOCQPLAC-GOSISDBHSA-N 453.539 4.359 50 10 JIGE C#Cc1cccc(NC(=S)NNC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(C)c3)c2C)c1 1558200303 YMTCSUHCTOKJIK-JCMHNJIXSA-N 453.571 4.309 50 10 JIGE CCCCC1CCC(C(=O)NNC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)CC1 1860771387 UQPOXJLETROEQW-UHFFFAOYSA-N 466.607 4.269 50 10 JIGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1cc(OC)c(OC)c(OC)c1)C(C#N)=C(N)O2 1865692458 MEVVIYMXMVGBEC-QFIPXVFZSA-N 478.524 4.267 50 10 JIGE COc1ccc2c(c1)c(/C=N\NC(=O)c1ccc(-c3ccc(OC)c(OC)c3)nc1C)cn2C 1865760495 AKSOBNFMNGJCNP-VYYCAZPPSA-N 458.518 4.338 50 10 JIGE O=S(=O)(c1ccc(Br)s1)N(CCCBr)Cc1ccccc1 1914642634 DGEKXZFIBNAYEI-UHFFFAOYSA-N 453.221 4.487 50 10 JIGE C[C@@H]1CCN(c2ncc(I)cc2Br)C[C@H]1Br 1988539941 RMDSHMNRXZZMPD-GMSGAONNSA-N 459.951 4.058 50 10 JIGE C[C@H]1CC[C@@H](CBr)CN1c1ncc(I)cc1Br 2015762529 MEACFQIUBKCCGH-IUCAKERBSA-N 473.978 4.449 50 10 JIGE F[C@]1(CBr)CCCN(c2ncc(I)cc2Br)C1 2015764655 FIABUJPCIAJXMA-NSHDSACASA-N 477.941 4.152 50 10 JIGE O=C(c1ccc(Br)cc1Br)N1C[C@@H]2CC[C@@H](Br)[C@H]2C1 2087938346 WSCHRVPFGWIDFF-KPXOXKRLSA-N 451.984 4.457 50 10 JIGE O=S(=O)(NC[C@@H](CBr)C1CCC1)c1cc(Cl)c(Br)s1 2089963314 NJYGNFYSEAWDBB-MRVPVSSYSA-N 451.633 4.254 50 10 JIGE O=C(c1ccc(I)cc1)N(CCBr)Cc1cccs1 2114641500 WBSVVXWJQYKXET-UHFFFAOYSA-N 450.139 4.390 50 10 JIGE CCn1ncc(COc2c(Br)cc(CBr)cc2Br)n1 2115809500 JNPATJGZRSLIKO-UHFFFAOYSA-N 453.960 4.297 50 10 JIGE C[C@H](Br)C[C@@H]1COCCN1C(=O)c1csc(Br)c1Br 2128882750 XVKMGEKSEDJSPY-JGVFFNPUSA-N 476.028 4.288 50 10 JIGE O=S(=O)(c1cc(CCl)sc1Br)N1C[C@@H]2[C@H](CCN2Cc2ccccc2)C1 2132362201 FVOVVIDAASRHIY-GDBMZVCRSA-N 475.861 4.144 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1CC[C@H](Br)[C@H]2CC[C@@H]21 2133725078 XPKSPSCLMXJLAP-CDMKHQONSA-N 454.533 4.333 50 10 JIGE CC(C)(C)OC(=O)N1CC[C@H](C(F)(F)F)N(CC2(CBr)CCOCC2)CC1 2163061902 IPEKBGDKVBNYCW-CQSZACIVSA-N 459.347 4.052 50 10 JIGE C[C@@H](Br)CN1CCCN(C(=O)c2scc(Br)c2Br)CC1 2176858056 MKWSRUQASAQQHW-SECBINFHSA-N 489.071 4.204 50 10 JIGE COCC1(COC)C[C@@H](Br)[C@H](Cc2ccc(I)cc2)C1 2190834010 AZBOIPGDRPKJCJ-UKRRQHHQSA-N 453.158 4.286 50 10 JIGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1C[C@@H]2C[C@H]2[C@H]1CBr 2199023082 LAJIVUHNFTXZDY-FMTFEUNWSA-N 464.006 4.160 50 10 JIGE O=C(c1csc(Br)c1Br)N1CCO[C@@H]2C[C@@H](CBr)C[C@@H]21 2199782318 ZILOZJAZDIZRSM-UJNFCWOMSA-N 488.039 4.288 50 10 JIGE Clc1cc(CN2CCO[C@@H]3C[C@@H](CBr)C[C@@H]32)ccc1I 2208030281 RDEISUQJAKKKGB-TUKIKUTGSA-N 470.576 4.319 50 10 JIGE CN(C[C@H]1C[C@H](Br)C1)C(=O)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2243695178 SMSDSANJEUFJTI-WGSAOQKQSA-N 481.431 4.072 50 10 JIGE CN(Cc1ccc(I)cc1)c1ncc(Br)c(CCl)n1 2265604518 MBSLVCAUHBOYTR-UHFFFAOYSA-N 452.521 4.219 50 10 JIGE O=C(COc1cccc(Br)c1)NN=Cc1ccc(OC(=O)C=Cc2ccco2)cc1 2296740276 RGJXDABYYHMJKU-UHFFFAOYSA-N 469.291 4.190 50 10 JIGE CC(C)(CI)CN=[S@](C)(=O)C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C 2306810910 YGENDZSRNHYBLI-YEBMWUKDSA-N 474.449 4.485 50 10 JIGE O=C(C=Cc1cccc2ccccc12)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 2313624133 NNVDLJBPODSJRR-UHFFFAOYSA-N 494.576 4.441 50 10 JIGE CC(C)(C)OC(=O)N1CCC(CI)(OC[C@@H]2CO[C@]3(C)C[C@H]2C3)CC1 2318561072 SGSXFWLTWTYCIR-RLFYNMQTSA-N 465.372 4.023 50 10 JIGE O=C(CCC(=O)c1cccs1)NN=C1C(=O)N(Cc2ccccc2Cl)c2ccccc21 2326843844 ZCAVJRUPYVWABR-UHFFFAOYSA-N 451.935 4.432 50 10 JIGE O=C(N[C@H]1C[C@@H](CCl)[C@H]2C[C@@H]12)c1cc(Br)ccc1I 2329873831 VDBRKQMWGDNDLX-YTDXRRJTSA-N 454.533 4.047 50 10 JIGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1c(F)c(F)c(F)c(F)c1F 2369432716 GKXQAOIZGRYHFS-NSHDSACASA-N 452.217 4.482 50 10 JIGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(=S)NNC(=O)Cc1cccc2ccccc12 12570164 YXVDMPZTGVEVPN-ZDUSSCGKSA-N 476.385 4.179 50 10 JIGE CCc1ccc(OCC(=O)NNC(=O)c2ccc(OCCC(C)C)cc2)c(Br)c1 14021830 YGKAZDCXUHJAKM-UHFFFAOYSA-N 463.372 4.276 50 10 JIGE Cc1cc(OCC(=O)NNC(=S)NC(=O)c2cccc(OCCC(C)C)c2)cc(C)c1Cl 14644854 KWRKSJIXJCFMAH-UHFFFAOYSA-N 478.014 4.096 50 10 JIGE COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(Br)cc2)cc1 27500536 ZLOSMIIYXNLPJW-USSUYSNBSA-N 478.346 4.379 50 10 JIGE COc1ccc(/C=N/NC(=O)COc2cc(C)c(Br)cc2C(C)C)cc1[N+](=O)[O-] 40902956 ANBQCJDWTOAIEW-LSHDLFTRSA-N 464.316 4.327 50 10 JIGE CCCCCOc1ccccc1C(=O)N/N=C1\C(=O)N(CCN2CCCCC2)c2ccccc21 59152227 UZBXURYOGZNMDC-FVDSYPCUSA-N 462.594 4.222 50 10 JIGE COc1cc(/C=N/NC(=O)Cn2cnc3cc(C)c(C)cc32)ccc1OCc1ccc(C(=O)O)cc1 59156847 HWNFIKDSNRONGP-VFLNYLIXSA-N 486.528 4.089 50 10 JIGE O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccccc1OCc1ccc(Br)cc1 96286827 FGKHFPGUTBDEGS-FSJBWODESA-N 470.279 4.406 50 10 JIGE CC1(C)C[C@@H](N=C=O)C[C@@](C)(CNC(=O)Nc2n[nH]c3c2CCN(Cc2ccccc2)C3)C1 170290920 XNVUFQSXAZBGHI-KBMIEXCESA-N 450.587 4.010 50 10 JIGE O=C(NCCCCCBr)c1cc(Br)ccc1I 232475425 NESLVFMWZBITMG-UHFFFAOYSA-N 474.962 4.349 50 10 JIGE C[C@H](NC(=O)c1cc(I)ccc1Br)[C@@H](C)CBr 235064296 SBFLAUXVUNJGCX-YUMQZZPRSA-N 474.962 4.203 50 10 JIGE CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2Cl)C(=O)NN=Cc2ccc(O)cc2)cc1 252640444 YUBKMNVYANIHLW-ZMLXMPJCSA-N 462.937 4.033 50 10 JIGE COc1ccc(C=NNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 725387963 FPWORWGJHZVZSP-UHFFFAOYSA-N 471.966 4.003 50 10 JIGE C=CCc1cccc(C=NNC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)c1O 1084657394 GJDWAMADFMEKRJ-UHFFFAOYSA-N 470.558 4.006 50 10 JIGE Cc1c(C(=O)Nc2ccccn2)oc2c1C(=NNC(=O)c1ccccc1Br)CCC2 1772745598 BYVGFSZTHFUKEW-UHFFFAOYSA-N 467.323 4.468 50 10 JIGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(Cl)cc2)ccc1O 1865681345 KTAYCPDZWLMNBC-OAQYLSRUSA-N 450.926 4.470 50 10 JIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3C)ccc1OCc1ccccc1 1865687246 NAKHBBVLRRRXMF-GOSISDBHSA-N 456.424 4.245 50 10 JIGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(C)cc2)c1 1865693086 RJUYJOIXSUFFEU-GOSISDBHSA-N 456.424 4.435 50 10 JIGE COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2c(F)cccc2Cl)cc1OC 1865710905 LCZVIWGDTKXLGI-QFIPXVFZSA-N 484.915 4.276 50 10 JIGE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1cc(OC)c(O)c(OC)c1)C(C#N)=C(N)O2 1865715181 YRRBTALKTOCFFI-LJQANCHMSA-N 452.898 4.029 50 10 JIGE O=C(N[C@@H](CBr)CC1CC1)c1cc(I)ccc1Br 2029976520 CQQDFUKOFMACIQ-SNVBAGLBSA-N 486.973 4.347 50 10 JIGE CCc1ccc(I)c(C(=O)CBr)c1I 2060146658 UEANMSJSTWEYPL-UHFFFAOYSA-N 478.893 4.036 50 10 JIGE O=C(NCCC(F)(F)CBr)c1cc(I)ccc1Br 2064903501 OMIACLASNOAAAD-UHFFFAOYSA-N 496.915 4.204 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CCC[C@H](CBr)C1 2086147136 JSZZOALCFGVTNJ-SECBINFHSA-N 486.973 4.301 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@H]2CC[C@@]1(CCl)C2 2089724174 ZWVCUFZUDSRDII-XPTSAGLGSA-N 454.533 4.287 50 10 JIGE CCCN1CC[C@H]([C@H](Br)c2cc(Br)c(Cl)s2)S1(=O)=O 2115930529 NZMOFKNDSBHVPU-NXEZZACHSA-N 451.633 4.414 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1C[C@@H]2[C@H](CBr)C[C@H]2C1 2117688511 HQNNFVDICSBJHR-GARJFASQSA-N 454.533 4.048 50 10 JIGE C[P@]1(=O)C[C@H](Br)[C@H](NC(=O)c2cc(Br)ccc2Br)C1 2121336237 FPVOHSFAUPPWKU-QQKBFRNYSA-N 473.927 4.080 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1[C@H]2CC[C@@H](C2)[C@H]1CBr 2122171506 HNZSUFLROYAJKY-GMOODISLSA-N 454.533 4.333 50 10 JIGE C[C@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(CCl)cc2Br)CN1Cc1ccccc1 2154838239 BLZYTIPXHKIRMK-MAUKXSAKSA-N 471.848 4.471 50 10 JIGE CN(C[C@H]1C[C@@H](Br)C1)C(=O)COc1ccc(Br)cc1Br 2196914292 MAHBPLILPXHWEK-JGZJWPJOSA-N 469.999 4.222 50 10 JIGE CC1([C@H](Br)c2cc(Br)c(Br)cc2F)CS(=O)(=O)C1 2218603839 OMTHULSOFGREMV-SNVBAGLBSA-N 464.976 4.221 50 10 JIGE C[C@@]1(CBr)C=CCN1S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2237160788 UGRJHNZNCCFTQG-LBPRGKRZSA-N 464.006 4.470 50 10 JIGE NNC(=O)C=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1 2293940851 IPEQVHHOXLRJFY-UHFFFAOYSA-N 463.102 4.180 50 10 JIGE N#CC(C(=O)NCc1ccco1)=C1NC(=NC(=O)c2ccc(Cl)cc2Cl)c2ccccc21 2296287785 AOEFYZARLDNWGO-UHFFFAOYSA-N 465.296 4.328 50 10 JIGE BrC[C@@]12C[C@H]1CN(Cc1ccc(I)c(Br)c1)C2 2306221866 MZHBSSHNJNERQI-GXFFZTMASA-N 470.974 4.271 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@@H]2C[C@H](Br)[C@H]1C2 2309940031 JVKSHKAPXVHWAF-VSYUYLJXSA-N 484.957 4.052 50 10 JIGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCOC)C(=O)C(C#N)=C2C)c(C)c1 2314618981 XSCHUKOCGMCRBM-UHFFFAOYSA-N 496.567 4.485 50 10 JIGE CCOc1ccc(CCC(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2OC)cc1 2314792508 KGWLXFPZJBRYKQ-UHFFFAOYSA-N 474.513 4.448 50 10 JIGE N#CC(=CNc1ccc2nc[nH]c2c1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324607224 VULCJUSMNURDQW-UHFFFAOYSA-N 462.557 4.316 50 10 JIGE COc1ccc(C=C(C(=O)N2CCC[C@H](C(=O)NNc3ccccn3)C2)c2ccccc2)cc1 2328569393 WHEVBEPBHGYQPV-QFIPXVFZSA-N 456.546 4.013 50 10 JIGE O=C(c1c(Br)cccc1Br)N1C[C@H]2CC[C@H](Br)[C@H]2C1 2328779442 OQARVWIASPOVDG-UTLUCORTSA-N 451.984 4.457 50 10 JIGE COc1ccc(-c2csc(C(C#N)=C(O)CCc3nc4ccccc4[nH]c3=O)n2)c(OC)c1OC 2331412977 YKEFXAFLHYNYMU-UHFFFAOYSA-N 490.541 4.498 50 10 JIGE CN(CCn1cc(Br)cn1)c1cccc(Br)c1CBr 2336513545 WZTOOZKHBNXMQV-UHFFFAOYSA-N 451.988 4.439 50 10 JIGE ClCCOC1CCN(Cc2ccc(I)c(Br)c2)CC1 2349837958 YECQSDRVOCPFJS-UHFFFAOYSA-N 458.565 4.274 50 10 JIGE CC1(C)[C@H](CCl)OCCN1Cc1ccc(I)c(Br)c1 2349842788 ZNTMZUDIHPXBSH-ZDUSSCGKSA-N 458.565 4.272 50 10 JIGE Cc1ccc(NC(=O)CCC(=O)NNC(=O)[C@@H](C)Oc2c(C)cc(Br)cc2C)cc1C 14643209 IETJVEICIIDUBL-QGZVFWFLSA-N 490.398 4.016 50 10 JIGE O=C(Cc1ccc([N+](=O)[O-])cc1)NNc1ncnc(Nc2cccc(Cl)c2Cl)c1[N+](=O)[O-] 40646724 DXHYUTGTLGWSFW-UHFFFAOYSA-N 478.252 4.029 50 10 JIGE Cc1c(C(=O)NCc2ccccc2)oc2c1/C(=N/NC(=O)c1cncc(Br)c1)CCC2 40823008 UOOWXSGNFRIMON-OVVQPSECSA-N 481.350 4.146 50 10 JIGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)cc1 58894366 JFFPVMRADNHBBN-YMCFUUGVSA-N 494.548 4.374 50 10 JIGE Cc1c(C(=O)NNC(=O)c2ccccc2F)oc2c1/C(=N/NC(=O)c1cccc3ccccc13)CCC2 101602906 XJNQGXXOJYYNRR-JBASAIQMSA-N 498.514 4.426 50 10 JIGE COCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C\c2ccc(OCCC(C)C)c(OC)c2)cc1 207154254 ARZJRSIVXDTEHN-LYZDIDCBSA-N 492.572 4.408 50 10 JIGE COc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C\N1CCN(C(c2ccccc2)c2ccccc2)CC1 217230078 NSPFXSWFDXGVND-ATJXCDBQSA-N 497.555 4.357 50 10 JIGE O=C(Cl)c1cc(I)cc(I)c1Br 575687678 WXSYDQNDBFQHGL-UHFFFAOYSA-N 471.257 4.037 50 10 JIGE COc1ccc(-c2nn(CCC#N)cc2/C=C(\C#N)C(=O)Nc2ccc3c(c2)CCCO3)cc1OC 725754280 ZNTSPSVXDOCLFM-DEDYPNTBSA-N 483.528 4.352 50 10 JIGE COc1cc(C(=O)NNC(=O)[C@H](Oc2ccc(F)c(Cl)c2)c2ccccc2)cc(OC)c1OC 730468841 HVIZGVSQMKBZHX-OAQYLSRUSA-N 488.899 4.086 50 10 JIGE O=C(NN=C1C(=O)N(C/C=C/c2ccccc2)c2ccccc21)c1cc(Br)ccc1O 1084079229 RCVLSXUIRAJEDD-NNPAEYOLSA-N 476.330 4.349 50 10 JIGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)NN=CC(Cl)(Cl)Cl 1084364538 UTMFRPXDIZSPAO-UHFFFAOYSA-N 482.224 4.294 50 10 JIGE COc1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)cc1OC 1614807791 JSGLHSDVKKCWDK-ZWKOTPCHSA-N 481.330 4.491 50 10 JIGE CCCOc1cccc(/C=N/NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1 1860773766 DOQLJAWHXRHABK-WDKSHEMUSA-N 452.580 4.083 50 10 JIGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@@H]2c1cc(OC)c(OC)cc1OC 1865711613 CPPSYUCRMQJHGQ-QFIPXVFZSA-N 476.533 4.213 50 10 JIGE O=S(=O)(c1cncc(Br)c1)N(Cc1ccccc1)C1(CBr)CCC1 1915751915 ZAVYJYRWGDCYNL-UHFFFAOYSA-N 474.218 4.353 50 10 JIGE O=C(N[C@H](CBr)CC(F)F)c1csc(Br)c1Br 1945183867 PJRLDQSQSXCZOS-BYPYZUCNSA-N 455.944 4.422 50 10 JIGE C=C(CBr)CCNC(=O)c1cc(I)ccc1Br 2020209992 LVHPDGFVSPMDPO-UHFFFAOYSA-N 472.946 4.125 50 10 JIGE Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NN=CC=Cc3ccccc3[N+](=O)[O-])cc2)cc1 2053509183 OLLIUMDCLNJFIJ-UHFFFAOYSA-N 492.557 4.153 50 10 JIGE O=C1Cc2cc([C@@H](Br)c3cc(I)sn3)c(Cl)cc2N1 2120033787 VCFBIAGXQLQLLA-GFCCVEGCSA-N 469.529 4.380 50 10 JIGE C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)N(S(=O)(=O)c2ccsc2CBr)C1 2123287110 WKKBKYGVPLAINF-HZPDHXFCSA-N 457.459 4.174 50 10 JIGE BrCc1cc(Br)cc(Br)c1OC[C@@H]1OC[C@H]2CCO[C@@H]12 2145933541 IQUQWLRBKUKCID-CWONEXCFSA-N 470.983 4.289 50 10 JIGE CC(C)(C)OC(=O)N1CCCCC[C@H]1CNS(=O)(=O)c1ccc(CBr)cc1 2162588471 GKFWGKHJKANBKJ-INIZCTEOSA-N 461.422 4.040 50 10 JIGE C[C@H](NS(=O)(=O)c1cc(Br)ccc1Br)[C@@H]1CCC[C@@H]1Br 2167851856 HAVNSIXFMUFDMP-LSJOCFKGSA-N 490.055 4.442 50 10 JIGE C[C@@H](NC(=O)c1cc(Cl)ccc1I)c1nnc(CBr)s1 2192615160 HXMORXOIXCQSHP-ZCFIWIBFSA-N 486.560 4.182 50 10 JIGE CN(C[C@@H]1C[C@H]1Br)S(=O)(=O)c1cc(Cl)cc(CBr)c1Cl 2196936589 SIVSQXRZJUBLAN-WCBMZHEXSA-N 466.022 4.292 50 10 JIGE O=S(=O)(N[C@H]1C[C@H]2CC[C@H]1[C@@H](Br)C2)c1cc(Cl)c(Br)s1 2204565382 RDGZMXGAVCTJDM-GHCJXIJMSA-N 463.644 4.394 50 10 JIGE Cc1ccc(I)c(C(=O)N2CCC(C)(C)[C@@H](CBr)C2)c1 2240915840 SQYVSTJQYFVEIT-LBPRGKRZSA-N 450.158 4.483 50 10 JIGE Cc1ccc(NC(=O)C(C#N)=Cc2ccccc2OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 2295172559 AVPHHJSVDXXZEG-UHFFFAOYSA-N 463.471 4.217 50 10 JIGE CCOc1ccc(OCC(=O)NN=C2C(=O)N(Cc3ccccc3Cl)c3ccccc32)cc1 2326839954 DJQWJXFDUMVUHY-UHFFFAOYSA-N 463.921 4.185 50 10 JIGE O=C(N[C@H]1C[C@@H](CBr)[C@@H]2C[C@H]12)c1ccc(Br)cc1Br 2329872106 SPWPYYOPAQTHRE-IRDCDUOOSA-N 451.984 4.361 50 10 JIGE Cc1cc(Br)cc(CCl)c1OCc1ncc(I)cn1 2353071152 LJHWZDVFRRZADP-UHFFFAOYSA-N 453.505 4.470 50 10 JIGE COc1c(Br)cc(C)c([C@@H](Br)C2(C)CS(=O)(=O)C2)c1Br 2365238815 ZZXLXCPBOUGXMG-GFCCVEGCSA-N 491.039 4.399 50 10 JIGE C[C@H](Br)CN1CCCN(Cc2ccc(Cl)cc2I)CC1 2366737543 FRQOYVZUSLBUBU-LBPRGKRZSA-N 471.608 4.236 50 10 JIGE O=C(N[C@@H]1C[C@H](CBr)C12CCC2)c1ccc(F)cc1I 2379718925 KLHGQYRGRBDOAG-NOZJJQNGSA-N 452.105 4.114 50 10 JIGE O=C(COc1c(Cl)cc(Cl)cc1Br)NNC(=O)Cc1ccc(Cl)cc1 9779833 FOIPLFUJRKNLJO-UHFFFAOYSA-N 466.546 4.178 50 10 JIGE Cc1cc(OCC(=O)NNC(=O)c2cccc(OCCc3ccccc3)c2)ccc1Br 10331496 XQSLXQCDCDZVEC-UHFFFAOYSA-N 483.362 4.219 50 10 JIGE CCOc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1Br 14770399 NQHSHSBSIVLJIV-UHFFFAOYSA-N 488.382 4.441 50 10 JIGE Cc1cc(Cl)cc(C)c1O[C@@H](C)C(=O)NNC(=O)c1cccc(OCc2cscn2)c1 16203454 GGJZGYMWMZJNIL-HNNXBMFYSA-N 459.955 4.221 50 10 JIGE COc1ccc(C=NNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(OC)cc2)cc1 254759171 JDVMVOJENBJKKP-UHFFFAOYSA-N 473.558 4.194 50 10 JIGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)C(=O)Nc2ccccc2C)cc1 254770491 BCVRAIIGLFREMZ-UHFFFAOYSA-N 481.508 4.465 50 10 JIGE CC[C@H](Br)[C@@H](C)NC(=O)c1cc(I)ccc1Br 386803057 QKCONLPODMRTLW-XCBNKYQSSA-N 474.962 4.346 50 10 JIGE CN([C@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(CCl)cc1Br 388331650 KGMUVDKYFHDSNL-SFHVURJKSA-N 471.848 4.473 50 10 JIGE C[C@@H]1CC[C@H](Br)CN1S(=O)(=O)c1cc(Br)ccc1Br 399370777 SANIQKKXNOYSLP-SCZZXKLOSA-N 476.028 4.148 50 10 JIGE O=C(NCC1(CBr)CCOCC1)c1ccc(Br)cc1Br 700912157 XRCZOWMXXAPZHM-UHFFFAOYSA-N 469.999 4.133 50 10 JIGE CN(C(=O)c1ccc(I)c(Br)c1)[C@@H]1CCC[C@H]1Br 709183704 NIDDTZNEHUPCHL-BXKDBHETSA-N 486.973 4.442 50 10 JIGE COc1ccccc1NC(=O)C(=O)NN=Cc1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C 725392532 VSNAXCDPVIJZFR-UHFFFAOYSA-N 459.333 4.498 50 10 JIGE O=C(NNC(=O)c1ccc(Br)cc1Cl)c1cccc(OCc2cscn2)c1 728828619 DFNQEQCELKRBSA-UHFFFAOYSA-N 466.744 4.213 50 10 JIGE CC(=NNC(=O)CCCSc1nnc(-c2ccccc2Br)n1N)c1ccc(C)cc1 1084039383 YSCBREUKYIFUJF-UHFFFAOYSA-N 487.427 4.143 50 10 JIGE CCOC1=C(C#N)[C@H](c2ccc(OC(C)=O)c(C(=O)O)c2)[C@@H]2C(C)=NN(c3ccccc3)[C@H]2O1 1088699393 OSPWKRGMLJTIIU-VABKMULXSA-N 461.474 4.034 50 10 JIGE C#CCCCC(=O)NNC(=O)c1ccccc1SCC(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C 1178772647 ADWLJEPHRBGJQX-QKNQBKEWSA-N 458.624 4.347 50 10 JIGE C=CCNC(=S)NNC(=O)CCc1c(-c2ccccc2)[nH]c2c(Br)cccc12 1628566296 QDAZWGHYYQDUDS-UHFFFAOYSA-N 457.397 4.211 50 10 JIGE N#CSc1ccc(NC(=O)Nc2ncccc2OCC(=O)Nc2nnc([C@H]3CCCO3)s2)cc1 1858859943 MXOJIFVLGNMTDE-MRXNPFEDSA-N 497.562 4.019 50 10 JIGE N#C/C(=C(/O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1nc(-c2ccc3c(c2)OCCO3)cs1 1872751228 XUEYSZIMRVMYQS-CYVLTUHYSA-N 452.404 4.348 50 10 JIGE Brc1cnc(N2C[C@H](Br)C[C@@]3(CCCO3)C2)c(Br)c1 1924293921 GEBMGYSMFMLSEU-MFKMUULPSA-N 454.988 4.129 50 10 JIGE FC(F)(F)c1cnc(N2C[C@H](Br)CC3(CC3)C2)c(I)c1 1926413323 FHVRCPSJLZFPCE-SECBINFHSA-N 461.063 4.459 50 10 JIGE CC(C)(C)OC(=O)N1CC(N(OCc2ccccc2)S(=O)(=O)c2cccc(CCl)c2)C1 2006998624 KKOXUFGSMJKCLV-UHFFFAOYSA-N 466.987 4.167 50 10 JIGE CCN(C[C@](C)(CI)OC[C@@H]1CC12CCOCC2)C(=O)OC(C)(C)C 2077642405 BBDIODWISHHQSW-YJBOKZPZSA-N 467.388 4.270 50 10 JIGE O=C(NC[C@H]1CCC[C@@H]1Br)c1ccc(Br)cc1I 2086146622 CCETWCYOLIIOSI-KCJUWKMLSA-N 486.973 4.347 50 10 JIGE Cn1nc([C@@H](Br)c2cc(Br)c3c(c2)CCO3)cc1Br 2094084685 QUFTYFYPUQYJMI-LBPRGKRZSA-N 450.956 4.364 50 10 JIGE Clc1ccc(I)c(CN2CC3(C2)OCCC[C@H]3Br)c1 2103411333 LOONQAVESUJSSF-CYBMUJFWSA-N 456.549 4.073 50 10 JIGE C[C@H]1C[C@H](Br)CCN(S(=O)(=O)c2cc(Br)ccc2Br)C1 2159537259 PATNPAUWJHKLIL-GXSJLCMTSA-N 490.055 4.396 50 10 JIGE O=C(c1cccc(F)c1I)N1CCC([C@H](F)CBr)CC1 2163243831 CUJIHRYKAJLMLN-GFCCVEGCSA-N 458.084 4.016 50 10 JIGE O=C(c1cccc(F)c1I)N1C[C@@H](Br)CCC12CCC2 2174533679 XIHQKKLKRHWWPI-JTQLQIEISA-N 452.105 4.353 50 10 JIGE CCOc1cc(C=C(C#N)c2nc3ccccc3[nH]2)cc(Br)c1OCC(=O)OC 2297368192 IJDYUHABNQHQRI-UHFFFAOYSA-N 456.296 4.340 50 10 JIGE CCOC(=O)c1oc2ccccc2c1COC(=O)C(C#N)=Cc1cc(C)n(CCOC)c1C 2297393015 GEVAJOSCDXPYNX-UHFFFAOYSA-N 450.491 4.325 50 10 JIGE Cc1cc(C=C(C#N)C(=O)OCC(=O)Nc2sc3c(c2C#N)CCC3)c(C)n1CC(C)C 2297487246 XRLLNSRUNMTZQM-UHFFFAOYSA-N 450.564 4.272 50 10 JIGE CCCOc1ccc(C=C(C#N)C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2OC)cc1 2314737842 YMWBGFNXHKVEIC-UHFFFAOYSA-N 471.579 4.060 50 10 JIGE Cc1cc(OCC(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2)ccc1Cl 2314754821 DGYGSAHHRBINSQ-UHFFFAOYSA-N 450.878 4.449 50 10 JIGE CCOc1ccc(N(C(=O)C(C#N)=Cc2ccc(OC)cc2)S(=O)(=O)c2ccccc2)cc1 2314777897 ZOMJKCZUQRUFEW-UHFFFAOYSA-N 462.527 4.423 50 10 JIGE FC(F)(F)[C@@H]1CN(Cc2sccc2I)C[C@H]1CBr 2316761284 CLMXZCHSOHLTHJ-HTQZYQBOSA-N 454.093 4.358 50 10 JIGE COc1ccc(CCO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2Br)c(Br)c1 2317132085 IVNVDIHDRTTZEB-JKSUJKDBSA-N 479.209 4.400 50 10 JIGE CC(C)(C)OC(=O)N[C@H]1C=C[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC1 2333266966 USZVWICSDKWLKB-VXKWHMMOSA-N 467.682 4.411 50 10 JIGE O=C(NC[C@@H](CBr)C(F)(F)F)c1ccc(Cl)cc1I 2340067584 DKPGNMXQSGGMEP-ZCFIWIBFSA-N 470.454 4.248 50 10 JIGE C[C@@H]1[C@@H](Br)CCN(S(=O)(=O)c2cc(Cl)c(Br)s2)[C@@H]1C 2344523111 JQABYHSBLSHMSM-RNJXMRFFSA-N 451.633 4.347 50 10 JIGE C[C@@H](Br)CN(C(=O)c1c(Br)c(Br)nn1C)C1CCCC1 2368842317 ICPVTJPYQXZONO-MRVPVSSYSA-N 472.019 4.113 50 10 JIGE C[C@@H]1[C@@H](Br)CCN(S(=O)(=O)c2cc(Br)ccc2Br)[C@@H]1C 2370654656 BOJMBVHCWCPCOF-NGZCFLSTSA-N 490.055 4.394 50 10 JIGE COCCCn1c(SCC(=O)N/N=C/C(C)(C)C)nnc1-c1ccc(C(F)(F)F)cc1 2147757 KUTRVSOOWSAJJC-ZMOGYAJESA-N 457.522 4.241 50 10 JIGE O=C(CCCCCN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S)NNC(=O)c1ccccc1O 34990395 OPGZOGRCWFHDQU-VUPRMNMUSA-N 495.626 4.171 50 10 JIGE O=C(CCCl)NC(=O)Nc1c(Br)cc(Br)cc1Br 36905916 QQKDAAARDGBRLU-UHFFFAOYSA-N 463.351 4.251 50 10 JIGE CC(C)CN(CC(C)C)c1ncnc(NNC(=O)c2ccccc2Br)c1[N+](=O)[O-] 40613940 LWEHWEPRJOHRJI-UHFFFAOYSA-N 465.352 4.023 50 10 JIGE COc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4cccc([N+](=O)[O-])c4)c(C)c32)cc1 40813871 RQEGRSVJLZKCPD-LGUFXXKBSA-N 462.462 4.228 50 10 JIGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\Nc3cc(Cl)ccc3OC)C2=O)cc1 101234087 WKILFSKBALCVMD-XSFVSMFZSA-N 451.910 4.105 50 10 JIGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NC[C@@H]2CCCO2)c(C)c1 102833200 XEZZGUQBYHJFLU-ZTTNJJDWSA-N 456.546 4.449 50 10 JIGE CC(C)[C@H](CI)NC(=O)c1cc(Br)cc(Br)c1 232727665 DAUQQKUIANTKOO-NSHDSACASA-N 474.962 4.401 50 10 JIGE Cc1ccc(COc2ccc(C=NNC(=O)C(=O)Nc3nnc(-c4ccccc4)s3)cc2)cc1 254446289 HXZWZENOHSZILV-UHFFFAOYSA-N 471.542 4.181 50 10 JIGE C[C@H]1[C@H](CBr)CCN1C(=O)c1ccc(I)c(Br)c1 721577659 KQSNIERZEGWXSI-WPRPVWTQSA-N 486.973 4.299 50 10 JIGE O=C(CCOc1ccccc1)NNC(=O)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 729615784 ABQZDPSAQXWTOZ-LJQANCHMSA-N 454.527 4.126 50 10 JIGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCC)c(I)c2)cc1 1084220319 DKHZHGATRXYMOD-LJQANCHMSA-N 496.345 4.053 50 10 JIGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@H](c2ccc(O)cc2O)C(C#N)=C(N)O3)cc1 1865681348 KZDYKOGIVHXPIC-JOCHJYFZSA-N 452.470 4.177 50 10 JIGE COc1ccc(OCC(=O)NNC(=O)c2ccc(-c3ccc(F)cc3)nc2C)c(C(C)(C)C)c1 1865758022 FTPSZHOFGRAMQS-UHFFFAOYSA-N 465.525 4.342 50 10 JIGE CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)CI 1865946714 HKKRZYJMRJLKBQ-UHFFFAOYSA-N 468.291 4.110 50 10 JIGE COC(=O)c1c(NC(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)sc(/C(C)=C/C#N)c1C 1873427041 FQPKEXDXRAOULW-SDNWHVSQSA-N 453.564 4.436 50 10 JIGE CN(C[C@H]1C[C@@H](Br)C1)[C@@H](CN)c1cc(Br)ccc1Br 1887885871 LQYDFNONLOHSHJ-PXWWUCIGSA-N 455.032 4.317 50 10 JIGE C[C@H]1[C@@H](Br)CCN1C(=O)c1cc(I)ccc1Br 1914448221 LESHGURJCBKFIA-XVKPBYJWSA-N 472.946 4.052 50 10 JIGE CC(C)(C)OC(=O)N1CCC(CI)(OC[C@H]2CC23CCOCC3)CC1 2077642779 DNDZBNBGIHMRPL-OAHLLOKOSA-N 465.372 4.024 50 10 JIGE O=S1(=O)CCC([C@H](Br)c2ccc(Br)cc2Br)CC1 2083318372 OYGLZEPKEDNCJV-LBPRGKRZSA-N 461.013 4.472 50 10 JIGE O=C(N[C@@H]1CC[C@H]2C[C@]21CBr)c1ccc(I)c(Cl)c1 2132114607 FHFFSBKPWPLKIX-BHYNMZESSA-N 454.533 4.238 50 10 JIGE Brc1ccc(CN2C[C@H]3COC[C@@H](C2)[C@@H]3Br)c(Br)c1 2132541379 CCAQLAFCZUMHGY-YABSGUDNSA-N 454.000 4.053 50 10 JIGE C[C@H]1C[C@@H](Br)CCN(S(=O)(=O)c2cc(Br)ccc2Br)C1 2159537262 PATNPAUWJHKLIL-ONGXEEELSA-N 490.055 4.396 50 10 JIGE O=C(c1cc(I)ccc1F)N1CC[C@H](Br)C(F)(F)CC1 2169662448 DJUAOKUSRXXTBS-NSHDSACASA-N 462.047 4.065 50 10 JIGE O=S(=O)(Cc1ccc(CBr)cc1)N(Cc1ccccc1)CC1CCOCC1 2179788689 GHVWXZIOOACRHF-UHFFFAOYSA-N 452.414 4.340 50 10 JIGE Cc1oc(C)c(S(=O)(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)c1CBr 2179789075 LNIBJAVYLDRXEQ-HNNXBMFYSA-N 455.418 4.076 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1[C@H]2CC[C@H]1[C@@H](F)[C@H](Cl)C2 2190680628 XIXNFURUFDZQJX-JAAHAHCPSA-N 472.523 4.376 50 10 JIGE O=C(N[C@H]1C[C@H]2CC[C@H]1[C@H](Br)C2)c1cccc(F)c1I 2204574504 MSVCFSJWEWGYHH-LKVCOOQKSA-N 452.105 4.112 50 10 JIGE O=S(=O)(c1ccc(CBr)s1)N1CCc2sc(Br)cc2C1 2206358317 YVWQIEGCMCSRRP-UHFFFAOYSA-N 457.234 4.214 50 10 JIGE Cn1nc(Br)c(C[C@@H](CBr)Cc2cccc(Br)c2)n1 2226986274 XAFSZJSJFDNZST-JTQLQIEISA-N 451.988 4.136 50 10 JIGE O=C(c1cccc(F)c1I)N1C[C@H](Br)CC12CCCC2 2241027142 RPYHRQXBJDQPFQ-SNVBAGLBSA-N 452.105 4.353 50 10 JIGE CC[C@@H]1[C@H](Br)CCN1C(=O)c1ccc(Br)cc1I 2260360669 FQOWXPGURWWEMY-ZYHUDNBSSA-N 486.973 4.442 50 10 JIGE O=C(c1c(F)cccc1I)N1C[C@H](Br)CCC12CCC2 2282795552 VTFBBUSNZQJSIE-SNVBAGLBSA-N 452.105 4.353 50 10 JIGE CC1(C)OCCN(C(=O)c2c(Br)cccc2Br)[C@@H]1CBr 2282895487 YKRSPYNSEGATAL-LLVKDONJSA-N 469.999 4.226 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1CC[C@H](C(F)(F)CBr)C1 2283661998 PUVZEPSMBFBGSE-VIFPVBQESA-N 478.502 4.437 50 10 JIGE CCN(C[C@](C)(CI)OC[C@H]1C[C@]12CC2(F)F)C(=O)OC(C)(C)C 2307350026 CRFOCCZYVOUEKS-KCXAZCMYSA-N 459.315 4.499 50 10 JIGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 2314753211 LONGHWXHAREVQP-UHFFFAOYSA-N 461.430 4.029 50 10 JIGE Cc1ccc2nc(-c3ccc(NC=C(C#N)C(=O)Nc4ccc(S(N)(=O)=O)cc4)cc3)sc2c1 2324879765 LJDBTDRUXZLKDN-UHFFFAOYSA-N 489.582 4.377 50 10 JIGE Clc1ccc(CN2C[C@@H]3CC[C@@H](CBr)O[C@@H]3C2)cc1I 2362378217 GUFFHMNMYNZBCH-SLEUVZQESA-N 470.576 4.319 50 10 JIGE Clc1ccc(I)c(CN2CC3(CCOCC3)[C@@H]2CBr)c1 2381059842 PTASVWMAJMDHSP-AWEZNQCLSA-N 470.576 4.321 50 10 JIGE O=C(NNc1ncnc(Nc2ccc(Br)cn2)c1[N+](=O)[O-])c1cccc2ccccc12 40647331 QKIZBHQXMWZWPF-UHFFFAOYSA-N 480.282 4.196 50 10 JIGE Nc1c(NNC(=O)c2ccccc2Br)ncnc1Sc1ccc(Cl)cc1 40723067 KAXQDLCTBJKZKU-UHFFFAOYSA-N 450.749 4.383 50 10 JIGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCC#N 58891991 KOZSOHUMIZBPLM-UQEONJGVSA-N 456.340 4.044 50 10 JIGE N#C/C(=C\c1ccc(OCc2ccc(C(=O)O)cc2)cc1)C(=O)N1CCN(c2ccccc2)CC1 59332939 YCDXQNYEGGNUAN-HKOYGPOVSA-N 467.525 4.220 50 10 JIGE Cc1ccc(-c2nn(Cc3ccccc3)cc2/C=C\C(=O)NNC(=O)COc2ccc(C#N)cc2)cc1 215574219 VJKAGOWMRUPEQO-SSZFMOIBSA-N 491.551 4.018 50 10 JIGE COc1cc(C(=O)NN=C(C)c2ccc(OC(F)F)cc2OC(F)F)cc(OC)c1OC 254631656 NMVPBZPGKUHMLX-UHFFFAOYSA-N 460.380 4.069 50 10 JIGE CC(C)[C@@H](Br)C(=O)Nc1cc(I)ccc1Br 300993408 VSPABEYFNMDUJI-SNVBAGLBSA-N 460.935 4.412 50 10 JIGE C[C@H]1C[C@H](CBr)CN(S(=O)(=O)c2cc(Br)ccc2Br)C1 398690586 NRVXRRVQLLNXDT-VHSXEESVSA-N 490.055 4.253 50 10 JIGE C[C@@H]1C[C@H](Br)CCN1C(=O)c1cc(I)ccc1Br 705451222 WWAAAXYSEBYKHS-RKDXNWHRSA-N 486.973 4.442 50 10 JIGE Cc1cccc(OCC(=O)NNC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C4CC4)c23)c1 727721919 ANKJPSDHRYQARZ-UHFFFAOYSA-N 460.465 4.055 50 10 JIGE CN(C)C(=O)/C(C#N)=C/c1ccc(OCc2ccc(F)cc2)c(I)c1 1084200044 YEEXPUMCFVBQHI-OQLLNIDSSA-N 450.251 4.004 50 10 JIGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)NN=Cc1cccc(O)c1 1084244689 LKAFGNIBPJVQQZ-OAHLLOKOSA-N 470.986 4.066 50 10 JIGE CCOc1cc(/C=C(\C#N)C(=O)N(C)C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 1084375246 ZFXYOAOZGFKMSI-CXUHLZMHSA-N 474.311 4.330 50 10 JIGE O=C(NN=Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)c1cc(-c2ccccc2)nc2ccccc12 1084430107 OXTMNICKRDSJNH-UHFFFAOYSA-N 457.402 4.188 50 10 JIGE CC(C)(C)[C@@H]1CCc2sc(C(=O)NNC(=O)CCc3nc4ccccc4c(=O)n3C3CC3)cc2C1 1087437083 COELXGDEZXVXRF-QGZVFWFLSA-N 492.645 4.338 50 10 JIGE CC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)NNc3cccc(C)c3Cl)cc2)cc1 1472214276 LQKULWIKOZDTCW-UHFFFAOYSA-N 457.939 4.409 50 10 JIGE CCc1cccc(CC)c1N1C(=O)c2ccc(C(=O)Nc3nnc(CCl)s3)cc2C1=O 1865896124 GRPFPAIWAQLWNE-UHFFFAOYSA-N 454.939 4.455 50 10 JIGE CCOC(=O)[C@H](Br)Cc1ccc(Cl)c(I)c1Cl 1945188507 PBDTTZOBKKAQSR-SSDOTTSWSA-N 451.913 4.467 50 10 JIGE O=C(CCl)c1c(I)cc(I)cc1C(F)F 2060380614 LCNPMHLBVOILRX-UHFFFAOYSA-N 456.395 4.255 50 10 JIGE CC1(C)C[C@@H](Br)CN1S(=O)(=O)c1cc(Br)ccc1Br 2098598160 BXLCKNUIBQHTTL-SECBINFHSA-N 476.028 4.148 50 10 JIGE O=C(N[C@H]1C[C@H]2C[C@H]1C[C@@H]2Cl)c1cc(Br)ccc1I 2104401201 GWADOIUQLUODIK-YXPMNYRZSA-N 454.533 4.189 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1C[C@H](Br)C2(CCC2)C1 2108695434 RZMVXDHODPIKGL-LBPRGKRZSA-N 454.533 4.334 50 10 JIGE CCCN1CC[C@H]([C@H](Br)c2ccc(I)c(Cl)c2)S1(=O)=O 2145770041 RJCZCPBWGPICOK-CHWSQXEVSA-N 492.604 4.195 50 10 JIGE O=S(=O)(c1ccc(Br)c(CCl)c1)N1CCCN(Cc2ccccc2)CCC1 2152576101 SNWIXVIGVZCJBO-UHFFFAOYSA-N 471.848 4.475 50 10 JIGE O=C(NC[C@@H]1CCCC[C@H](Br)C1)c1cc(I)ccc1O 2163745125 FEVLPJFCBZGSEO-MNOVXSKESA-N 452.130 4.070 50 10 JIGE CCN(CC)CCN(Cc1ccccc1)S(=O)(=O)c1cc(CBr)ccc1F 2179789938 XQEAPXMRFQIJAK-UHFFFAOYSA-N 457.409 4.253 50 10 JIGE O=S(=O)(NC[C@]12CCC[C@@]1(CBr)C2)c1cc(Cl)c(Br)s1 2208034424 WWNSIVOELXQNTC-NWDGAFQWSA-N 463.644 4.398 50 10 JIGE O=C(c1ccc(I)c(O)c1)N1CCC[C@@H](CCCBr)C1 2234181483 LJZUYWPGJYYNAK-LLVKDONJSA-N 452.130 4.024 50 10 JIGE COc1ccc([C@@H](Br)[C@H]2C[C@H](OC)[C@H](OC)C2)cc1I 2285007073 YTCRPMXPOWSJJD-QPKOPYBWSA-N 455.130 4.176 50 10 JIGE COC(=O)c1cc(OC)c(OC)cc1NC=C(C#N)c1nc(-c2ccc3c(c2)OCO3)cs1 2295934436 XLZKWOBHRFXOGS-UHFFFAOYSA-N 465.487 4.319 50 10 JIGE BrC[C@@]12C[C@H]1CN(Cc1ccc(I)c(Br)c1)C2 2306224118 MZHBSSHNJNERQI-GXFFZTMASA-N 470.974 4.271 50 10 JIGE CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(N(CCCl)CCCl)cc3)C2=O)cc1 2313548152 NBENFISVIBSDQB-UHFFFAOYSA-N 476.360 4.036 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@H]2CC[C@@H](Cl)[C@H]2C1 2328656745 KWXPQZUZSKROFA-YDEJPDAXSA-N 454.533 4.143 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@H]2CC[C@H]1[C@H](Cl)C2 2349951734 APDYBSZTWZWUOU-KDDOJWQBSA-N 454.533 4.286 50 10 JIGE Clc1ccc(I)cc1CN1CCC(OCCBr)CC1 2352415742 LWGZKHKSXPKAMQ-UHFFFAOYSA-N 458.565 4.321 50 10 JIGE CCn1ncc(I)c1-n1c(CCl)nc2cccc(Br)c21 2381973750 ZGOYCLJWAAJMIF-UHFFFAOYSA-N 465.520 4.348 50 10 JIGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc(Br)c1OC(C)=O 6073966 MMMRMELOZZRVAX-XGICHPGQSA-N 494.685 4.490 50 10 JIGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)COc2ccccc2Cl)c(Br)c1 12403525 BAUFJERGZBUBCK-UHFFFAOYSA-N 469.763 4.005 50 10 JIGE O=C(COc1cccc2ccccc12)NNC(=S)NC(=O)c1ccc(-c2ccccc2)cc1 12500727 HASRNKCGZAJTRC-UHFFFAOYSA-N 455.539 4.221 50 10 JIGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNC(=O)c1cccc3ccccc13)c1nc3cc4c(cc3nc12)OCO4 33808851 NRIQAGJNRCKHAX-WDYNHAJCSA-N 494.551 4.302 50 10 JIGE Cc1c(C(=O)Nc2ccccn2)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 40811819 YWDCDCDFNAKZSL-WGOQTCKBSA-N 467.323 4.468 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N[C@H]2CCC[C@@H]2Br)cc1Br 158614152 ITZUKAKCOGSRJM-KWQFWETISA-N 476.028 4.114 50 10 JIGE O=S(=O)(N[C@H]1CCC[C@H]1CBr)c1cc(Br)ccc1Br 231618860 FBDOYOSUDBPBDJ-KWQFWETISA-N 476.028 4.054 50 10 JIGE Nc1scc2c(C(=O)NN=Cc3ccc(Cl)cc3)nn(-c3ccc(Cl)cc3)c(=O)c12 252630292 UYOQMVJAQOGHQX-UHFFFAOYSA-N 458.330 4.100 50 10 JIGE COc1ccc(-c2cc(C(=O)NN=Cc3cnn4ccccc34)c3ccccc3n2)cc1OC 729636565 LXBWPRUJWHRXQQ-UHFFFAOYSA-N 451.486 4.331 50 10 JIGE C=CCOc1cccc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c1 1084206941 WAHJEQNEQOANIG-UHFFFAOYSA-N 498.004 4.246 50 10 JIGE CC(C)(C)OC(=O)N1CCC(CBr)(O[C@H]2CCN(Cc3ccccc3)C2)CC1 1224321837 UFUDFAMJQVAOLS-IBGZPJMESA-N 453.421 4.442 50 10 JIGE C#C[C@@H](NC(=O)NNC(=O)c1ccc(OCCC(C)C)cc1)c1ccc(Br)cc1 1564999436 KDUWJFKMWFZPMO-HXUWFJFHSA-N 458.356 4.193 50 10 JIGE C=CCc1ccc(OCC(=O)NNc2cccc(OC(F)F)c2Br)c(OC)c1 1595245484 MLPUERPZUYGNDE-UHFFFAOYSA-N 457.271 4.310 50 10 JIGE COC(=O)c1ccc(OCCCOc2cccnc2NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 1858694047 NPTYLJCBBBOIIY-UHFFFAOYSA-N 467.434 4.235 50 10 JIGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)c(Cl)c2)cc1 1865705785 FWNPUWMHDILUGX-LJQANCHMSA-N 455.301 4.492 50 10 JIGE CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@@H]2c1cc2c(cc1[N+](=O)[O-])OCCO2 1865712312 VKRXKWOQBHYVJS-NRFANRHFSA-N 473.489 4.104 50 10 JIGE Cc1ccc(SCCCC(=O)NNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(F)cc2)C3=O)cc1 1865755652 KECCPHSVCXUOAP-UHFFFAOYSA-N 491.544 4.268 50 10 JIGE CC(C)C[C@H](C(=O)N[C@@H](CO)C(=O)Nc1ccc(SC#N)cc1)c1cccc(Br)c1 1867201669 HKKNYQPPASWBEP-PMACEKPBSA-N 490.423 4.268 50 10 JIGE O=C(N[C@@H](CBr)CC(F)F)c1csc(Br)c1Br 1945183868 PJRLDQSQSXCZOS-SCSAIBSYSA-N 455.944 4.422 50 10 JIGE Cc1cccc(-n2cnc(I)c2I)c1CCl 1991303268 RJJGHEWLSNDHGL-UHFFFAOYSA-N 458.468 4.129 50 10 JIGE CCOc1cc(C(=O)CBr)cc(OC(F)(F)F)c1I 2055089815 JHCFPUNTEZDNEG-UHFFFAOYSA-N 452.992 4.166 50 10 JIGE O=C(Cl)c1ccc(I)c(I)c1Br 2059980492 UUFUHDTUFFFBGO-UHFFFAOYSA-N 471.257 4.037 50 10 JIGE O=C(Cl)c1cc(I)c(OC(F)(F)F)cc1I 2060033704 UZVPJNICWQIVFK-UHFFFAOYSA-N 476.357 4.173 50 10 JIGE BrC[C@H]1CC12CCN(c1ncc(I)cc1Br)CC2 2069532121 RFUWLWOXIKPNPZ-SECBINFHSA-N 485.989 4.450 50 10 JIGE CCN(CC)S(=O)(=O)C[C@@H](Br)c1cc(Br)ccc1Br 2089400971 WFSALTUYCAGEKO-GFCCVEGCSA-N 478.044 4.319 50 10 JIGE O=C(N[C@@H]1C[C@H](CCl)[C@H]2C[C@@H]21)c1cc(Br)ccc1I 2110550865 VDBRKQMWGDNDLX-SQFXPHBZSA-N 454.533 4.047 50 10 JIGE CN(C)C[C@@H]1C[C@@H](Br)CN1Cc1cccc(Br)c1Br 2122394009 UFIJNGVZXSIEGG-NEPJUHHUSA-N 455.032 4.111 50 10 JIGE Cc1sc(Br)cc1S(=O)(=O)N1CC[C@H](Br)C(F)(F)CC1 2150021774 LHGIXVGLOIXJMM-VIFPVBQESA-N 453.168 4.002 50 10 JIGE O=C(c1cccc(F)c1I)N1C[C@@H]2CCC[C@@H](Br)[C@H]2C1 2150974547 WHXOYANJVMYOMV-ZMLRMANQSA-N 452.105 4.066 50 10 JIGE BrCc1cc(Br)c(OC[C@@H]2C[C@@H]3OCC[C@@H]3O2)c(Br)c1 2163234717 KRWSTZMJLIUJSO-XDTLVQLUSA-N 470.983 4.432 50 10 JIGE O=C(c1cc(I)ccc1F)N1CC[C@]2(CCC[C@@H]2Br)C1 2169667089 YBQBIHKWTVYFDI-DZGCQCFKSA-N 452.105 4.210 50 10 JIGE Cc1cc(S(=O)(=O)N(CCBr)Cc2cccs2)sc1Br 2171101537 JAIPQRZXVQVTPR-UHFFFAOYSA-N 459.250 4.466 50 10 JIGE Cc1cc(Br)sc1CN(C)S(=O)(=O)CCC(F)(F)CBr 2179951228 USKAEZCVSOCSDB-UHFFFAOYSA-N 455.184 4.001 50 10 JIGE O=C(NC12CCC(CBr)(CC1)C2)c1ccc(F)cc1I 2189331290 MTFKGHVBMQHXCY-UHFFFAOYSA-N 452.105 4.258 50 10 JIGE CN([C@H](CBr)CC1CC1)S(=O)(=O)c1cc(Cl)c(Br)s1 2226153271 QSCXEGUWQYOWPN-QMMMGPOBSA-N 451.633 4.348 50 10 JIGE O=C(c1cc(Br)ccc1I)N1[C@H]2CC[C@@H](Cl)[C@H]1CC2 2229875366 ITXRRMGKAKUJMO-UFGOTCBOSA-N 454.533 4.428 50 10 JIGE CC1(C)CN(C(=O)c2ccc(F)cc2I)C[C@@H]1CCBr 2238470181 KPSIECXMNPXJJM-JTQLQIEISA-N 454.121 4.314 50 10 JIGE COc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(OCc2ccccc2)cc1 9695924 PBECWYBGZLPZQK-UHFFFAOYSA-N 455.308 4.112 50 10 JIGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)cc1 38685809 FJIZSQYRUKBSJO-VWLOTQADSA-N 487.468 4.196 50 10 JIGE CCOc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)cc(Br)c1O 39724875 VJMPGPVJBYRZOY-OWGFIJSYSA-N 455.736 4.433 50 10 JIGE Cc1cccc(Nc2ncnc(NNC(=O)c3ccccc3Br)c2[N+](=O)[O-])c1C 40620651 MKGWLBZWSNTHCH-UHFFFAOYSA-N 457.288 4.265 50 10 JIGE N#C/C(=C\c1ccc(OCc2ccc3c(c2)OCO3)cc1)C(=O)N1CCN(c2ccccc2)CC1 59332938 DRVPNIMHSZDOIY-XQNSMLJCSA-N 467.525 4.250 50 10 JIGE O=C(Nc1ccccc1C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1)c1cccc(Br)c1 59391488 APNRCLBDERSEJA-YDZHTSKRSA-N 467.279 4.374 50 10 JIGE COC(=O)c1ccc(-c2ccc(C=NNC(=O)C(O)(c3ccccc3)c3ccccc3)o2)cc1 254395231 GHGJPWRJFKCPIG-UHFFFAOYSA-N 454.482 4.119 50 10 JIGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2cccc([N+](=O)[O-])c2)C1 382710028 XHTVAAZZMIXXSZ-AEFFLSMTSA-N 466.275 4.382 50 10 JIGE Cc1cccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)c1N 382713161 ILYPXQOEUAPGOT-AEFFLSMTSA-N 450.320 4.364 50 10 JIGE CCN(C(C)(C)CBr)S(=O)(=O)c1cc(Br)ccc1Br 688389594 ZYYYLIFHYVEDRR-UHFFFAOYSA-N 478.044 4.396 50 10 JIGE O=C(c1cc(Br)ccc1Br)N1CCS[C@H](CBr)C1 720064639 PGETUKFCNKMWHX-SECBINFHSA-N 458.013 4.164 50 10 JIGE C[C@H]1[C@@H](Br)CCCN1C(=O)c1ccc(I)c(Br)c1 721576342 FLQSVPRVQVSHHR-WPRPVWTQSA-N 486.973 4.442 50 10 JIGE CCc1nn(Cc2ccccc2)c2c1[C@H](c1cc(Br)cc(OC)c1O)C(C#N)=C(N)O2 1865697243 YFDAGHLXMLAZOV-LJQANCHMSA-N 481.350 4.189 50 10 JIGE CN(Cc1ccc(I)c(Br)c1)C[C@H]1C[C@H]1Br 1904348554 QTMGJORUONRNRY-NXEZZACHSA-N 458.963 4.269 50 10 JIGE C[C@H](Br)[C@H]1CCN1C(=O)c1cc(I)ccc1Br 2011149677 SGFONEMOAFMROE-WRWORJQWSA-N 472.946 4.052 50 10 JIGE C[C@@H]1C[C@@H](CBr)CN(c2ncc(I)cc2Br)C1 2015758401 HGYYCVUEMYAOMR-BDAKNGLRSA-N 473.978 4.306 50 10 JIGE Cc1cc(Br)c(C)c([C@@H](Br)[C@@H]2CCS2(=O)=O)c1Br 2081058908 HCJYIQVXEFFGFX-CABZTGNLSA-N 461.013 4.452 50 10 JIGE O=S(=O)(C[C@H](Br)c1c(Br)cccc1Br)N1CCCC1 2094097062 CUQCRTFHOHQPQL-NSHDSACASA-N 476.028 4.073 50 10 JIGE CCN1CCC[C@@H]([C@@H](Br)c2cc(Br)c(Cl)s2)S1(=O)=O 2115926625 DJLYNYHKPIYHLU-UWVGGRQHSA-N 451.633 4.414 50 10 JIGE O=C(c1cc(Br)cc(Br)c1)N1C[C@@H]2[C@H](CBr)C[C@H]2C1 2117687837 CSRPRZHPCFJMAC-OUJBWJOFSA-N 451.984 4.315 50 10 JIGE CC[C@@H](C)[C@H](CI)NS(=O)(=O)c1c(Cl)cccc1Br 2136492511 OICOCIJLIBIMKV-KCJUWKMLSA-N 480.593 4.231 50 10 JIGE CCN1CCC[C@@H]([C@@H](Cl)c2cc(I)ccc2Br)S1(=O)=O 2145776827 XTBCJKOKEBEJDC-STQMWFEESA-N 492.604 4.148 50 10 JIGE O=C(c1cc(I)ccc1O)N1CCC[C@@H](CCBr)CC1 2149739151 GITKZMAWDQHYRV-NSHDSACASA-N 452.130 4.024 50 10 JIGE CCN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccccc1CBr 2179817815 RSXHSEMEXZBGQJ-UHFFFAOYSA-N 451.430 4.257 50 10 JIGE COCC(CCO[C@H](CI)c1cccc(Br)c1)COC 2187430366 LAHWURCZUUTGCR-OAHLLOKOSA-N 457.146 4.241 50 10 JIGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1ccc(Cl)cc1CBr 2230989121 WYXZYTSWCQSQSN-UHFFFAOYSA-N 499.814 4.299 50 10 JIGE O=C(C=Cc1ccc(Cl)cc1)NC(=S)NNC(=O)COc1ccc(-c2ccccc2)cc1 2313864326 JHBBHDKZVJAUPA-UHFFFAOYSA-N 465.962 4.121 50 10 JIGE COc1cccc(CNC=C(C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 2324609852 WJLVBYIYTJEQQZ-UHFFFAOYSA-N 466.585 4.126 50 10 JIGE COc1ccc([C@@H](C)NC=C(C#N)C(=O)Nc2ccc(I)cc2C)cc1 2325406063 REZSUXOWEZLXDY-CQSZACIVSA-N 461.303 4.305 50 10 JIGE COc1c(Br)cc(C)c([C@H](Br)[C@H](C)S(C)(=O)=O)c1Br 2339640270 WGSQBPOPSSVUND-OIBJUYFYSA-N 479.028 4.398 50 10 JIGE O=C(c1cc(Br)sc1Br)N1CC2(CCOCC2)[C@@H]1CBr 2381079417 UGIFDFJULIXEJD-VIFPVBQESA-N 488.039 4.289 50 10 JIGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1cc(Cl)cc(Cl)c1 10505799 XJWRUIRHCKLIAH-GFCCVEGCSA-N 454.379 4.221 50 10 JIGE Cc1ccc(OCC(=O)NNC(=O)c2cc(Br)ccc2OCCC(C)C)c(C)c1 14650654 HLTIGTDROFCZMH-UHFFFAOYSA-N 463.372 4.331 50 10 JIGE COc1ccc(CN2C(=O)/C(=C/NNC(=O)c3cc4c(s3)CCCC4)c3ccccc3C2=O)cc1 38183847 DBFQWWDPPJIHMR-PXLXIMEGSA-N 487.581 4.094 50 10 JIGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc([N+](=O)[O-])cc2)cc1C 38654891 YOVAQRZSXLSMGM-VWLOTQADSA-N 471.469 4.414 50 10 JIGE O=C(NNc1ncnc(NC(c2ccccc2)c2ccccc2)c1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] 40650603 OJHYGLHMSAVOJP-UHFFFAOYSA-N 485.460 4.251 50 10 JIGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)c(OC)c1 40868846 RKSJQXQXDZZTJT-CPNJWEJPSA-N 496.475 4.185 50 10 JIGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)N/N=C(\C)c1ccccc1O 59829638 GQMIPBCCOMLYRO-MFKUBSTISA-N 470.986 4.068 50 10 JIGE CCCn1nc(C(=O)NNC(=O)/C=C/c2ccc(-c3ccccc3F)s2)c2ccccc2c1=O 69558701 NNBZVDVGXOOWGG-WYMLVPIESA-N 476.533 4.149 50 10 JIGE Cc1ccc(-c2nnc(SCC(=O)NN=Cc3ccccc3C(=O)O)n2-c2ccc(C)cc2)cc1 254556303 BEJBDDYJERUALW-UHFFFAOYSA-N 485.569 4.492 50 10 JIGE Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(-c3n[nH]c(C4CC4)n3)c2)c(C)n1C[C@H]1CCCO1 726765953 HCAYGFRDLWQZET-VVOOWDFBSA-N 456.550 4.492 50 10 JIGE CC(=O)N(c1ccccc1)c1nc(C=NNC(=O)[C@@H](C)Nc2nc3ccccc3s2)cs1 730583085 IRFAAZIGHSGGDV-CQSZACIVSA-N 464.576 4.388 50 10 JIGE COc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)NCCc3cccs3)c(C)c21 1772745937 LOMOLAYYMBXJTN-UHFFFAOYSA-N 451.548 4.101 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2Cl)[C@@H]1c1ccccc1C(=O)O 1865704553 YPKZZWLLVVJRIG-OAHLLOKOSA-N 460.799 4.461 50 10 JIGE ClCc1nc2cc(I)ccc2n1C[C@H]1COCCN1Cc1ccccc1 1880817504 NVKFKIRUBMQMKW-KRWDZBQOSA-N 481.765 4.281 50 10 JIGE C[C@@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1cscc1Br 1914640345 YOTYHPHZTNWHJH-LLVKDONJSA-N 453.221 4.485 50 10 JIGE CN(C[C@@H](Br)COCc1ccccc1)S(=O)(=O)c1ccccc1Br 1916361551 MPTCSVRIQSMLOF-OAHLLOKOSA-N 477.218 4.050 50 10 JIGE C[C@H]1C[C@H](Br)CCN(c2ncc(I)cc2Br)C1 2015765691 KAGPIUSJOAXCKL-DTWKUNHWSA-N 473.978 4.449 50 10 JIGE Cc1ccc(O)cc1-n1nc(CBr)c(I)c1C(F)(F)F 2079250499 GZXAEBDVSFHOPE-UHFFFAOYSA-N 461.019 4.405 50 10 JIGE O=C(c1csc(I)c1)N1C[C@@]2(F)CCC[C@@]2(CBr)C1 2120131525 UCEAMQFILFCGFK-OLZOCXBDSA-N 458.134 4.082 50 10 JIGE Cc1oc(C)c(S(=O)(=O)N2CCN(Cc3ccccc3)C(C)(C)C2)c1CBr 2179788858 IHVQHBIUWGCNEJ-UHFFFAOYSA-N 455.418 4.076 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CC[C@@H](CCl)C(F)(F)C1 2207260729 HLAIPBUNUABXJB-QMMMGPOBSA-N 478.502 4.390 50 10 JIGE Cc1ccc(I)c(C(=O)N(C)C[C@H](Cl)COCc2ccccc2)c1 2217393218 GSRRMVDKHMEZOY-INIZCTEOSA-N 457.739 4.496 50 10 JIGE O=C(c1scc(Br)c1Br)N1C[C@@H]2OCCC[C@@]2(CBr)C1 2239158096 QPDFHEWZSCZZNF-TVQRCGJNSA-N 488.039 4.289 50 10 JIGE CN(Cc1cccc(I)c1)S(=O)(=O)c1cc(CBr)cs1 2280343947 OIUHCSIBMIPAAP-UHFFFAOYSA-N 486.194 4.068 50 10 JIGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)NCc2ccco2)c(C)c1 2296545343 IRBKRNVRRXLGPM-UHFFFAOYSA-N 454.486 4.228 50 10 JIGE Cc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccccc1C(=O)O 2313567110 GNCPMBXGXMKTOW-UHFFFAOYSA-N 454.530 4.048 50 10 JIGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccc2c(c1)OCO2 2313568278 TVXSWKGAXAAKKF-UHFFFAOYSA-N 497.551 4.259 50 10 JIGE CCc1ccc(OCC(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccccc3)cc2OC)cc1 2314737217 RVNVTRYADULDMZ-UHFFFAOYSA-N 470.525 4.465 50 10 JIGE C=CC[C@@H](Cl)[C@H]1CCN1C(=O)c1cc(I)ccc1Br 2335806239 KJQBTOQNELDIFN-CHWSQXEVSA-N 454.533 4.452 50 10 JIGE COc1cc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2Br)cc(OC)c1OC 12403413 XWPHHRRYFNOZLZ-WYMPLXKRSA-N 479.371 4.302 50 10 JIGE C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=S)NC(=O)C(c1ccccc1)c1ccccc1 14031740 QBEUVWLYUVRQBB-LJQANCHMSA-N 483.593 4.461 50 10 JIGE O=C(COc1ccc(Cl)cc1Cl)NNC(=O)c1ccc(OCCc2ccccc2)cc1 14041574 IEHWIRYLWQNJEO-UHFFFAOYSA-N 459.329 4.455 50 10 JIGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)COc2ccc(C)cc2C)c(Br)c1 14832194 WVKIJFRRANJUBA-OAHLLOKOSA-N 463.372 4.185 50 10 JIGE CC(C)c1cc(C(=O)NNC(=O)c2ccc(Br)s2)c2cnn(C(C)C)c2n1 15762496 RKDSPDZBZCBRLR-UHFFFAOYSA-N 450.362 4.034 50 10 JIGE Cc1cc(Br)c(NCC(=O)N/N=C/c2cc(Cl)ccc2O)c(Br)c1 27498215 WBIKNIFIGPMFQB-QPSGOUHRSA-N 475.568 4.441 50 10 JIGE CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccccc3OC)ccc21 38650460 OCJHUSIQXISLLA-SANMLTNESA-N 472.497 4.296 50 10 JIGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc([N+](=O)[O-])cc2)c1C 38654898 WUXYPVCEYIEGPU-RUZDIDTESA-N 471.469 4.414 50 10 JIGE COc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cc(OC)ccc2OC)c1 38659712 PBIIQKSQINXGRL-DEOSSOPVSA-N 458.470 4.150 50 10 JIGE Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cc(Br)c(N2CCOCC2)o1 59678920 KIRWHNBETHQBHB-UKTHLTGXSA-N 450.720 4.386 50 10 JIGE COc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3ccccc3)cs2)cc1OCCN1CCOCC1 96438310 ZOMCRNZZPOQMLC-RCCKNPSSSA-N 490.585 4.075 50 10 JIGE CCCOc1ccccc1/C=C(/C#N)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 206984616 AEIWNVXZXCKLEK-VKAVYKQESA-N 468.560 4.278 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CCC[C@H](CBr)C1 232471456 JFWFMWVUHYTBHS-SECBINFHSA-N 486.973 4.301 50 10 JIGE C[C@H](Br)CCN(C)C(=O)c1cc(Br)ccc1I 235477002 WVJXKXUTQLEHSI-QMMMGPOBSA-N 474.962 4.299 50 10 JIGE CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(OC)cc2)cc1 252605164 GGUVQVXSRGOUOX-DRQZQUMZSA-N 470.573 4.463 50 10 JIGE COc1ccc(OC)c(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2c(F)cccc2Cl)c1 254507151 ASJPIMZBVIWJCI-NRXAUUKCSA-N 481.911 4.418 50 10 JIGE C[C@@H]1CC[C@@H](CBr)CN1S(=O)(=O)c1cc(Cl)c(Br)s1 688681932 ZFLMOMBYPIGWKW-SFYZADRCSA-N 451.633 4.348 50 10 JIGE CC(C)(CCl)C(=O)Nc1cc(I)cc(I)c1 690348310 VNUYCXIWVAIYNW-UHFFFAOYSA-N 463.484 4.099 50 10 JIGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(-c3ccc(C(=O)OC)cc3)o2)cc1 1084418952 PLKIOGLHNWWTFL-JOCHJYFZSA-N 450.491 4.096 50 10 JIGE Cc1c(C(=O)N(CC#N)CC#N)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772747664 FGVZBWHICKGBKP-UHFFFAOYSA-N 479.540 4.066 50 10 JIGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@H](c2cccnc2)C(C#N)=C(N)O3)cc1 1865700336 QGEHZLYONXDHQY-JOCHJYFZSA-N 453.477 4.359 50 10 JIGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2c(F)cccc2Cl)cc1OC 1865707223 RGUFJNLNADBRCU-OAQYLSRUSA-N 454.889 4.268 50 10 JIGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2C[C@H]2c2ccccc2)cc1 1867051026 VQBLMPBYNIWPOL-HJOGWXRNSA-N 457.555 4.435 50 10 JIGE Cc1cc(=NC(=O)[C@@H]2CCCN2c2cc(Nc3ccc(SC#N)cc3)nc(C(C)(C)C)n2)[nH]o1 1868342278 PYLJWSZCPKXSOW-SFHVURJKSA-N 477.594 4.417 50 10 JIGE Cc1cc(Br)c(F)c(C[C@H](Br)CN2C(=O)c3ccccc3C2=O)c1 1905372395 VGUNKJAFHWVKRK-LBPRGKRZSA-N 455.121 4.499 50 10 JIGE CN(C[C@@H](Br)COCc1ccccc1)S(=O)(=O)c1ccc(Br)s1 1916355659 XDZMZGXAIUSCFO-CYBMUJFWSA-N 483.247 4.111 50 10 JIGE COCC1(CO[C@@](C)(CI)CNC(=O)OC(C)(C)C)CCCCC1 1945636047 FRTSJULIRSRGRC-KRWDZBQOSA-N 455.377 4.318 50 10 JIGE CC(C)(C)OC(=O)NC[C@](C)(CI)O[C@H]1COC2(CCCCC2)C1 2017996932 ZYWSQHXXBPMTGM-PBHICJAKSA-N 453.361 4.213 50 10 JIGE O=C(c1ccc(Br)cc1I)N(CCBr)C1CC1 2026218585 RQDDXJVKIIUKQL-UHFFFAOYSA-N 472.946 4.053 50 10 JIGE O=S(=O)(c1ccc(CBr)cc1Br)N1CC[C@@H](OCc2ccccc2)C1 2059313561 ZYAMZMMVGHHPSU-MRXNPFEDSA-N 489.229 4.324 50 10 JIGE C[C@H](Br)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1I 2086146073 VEQKWLAHQLFUPF-UFBFGSQYSA-N 486.973 4.442 50 10 JIGE C#CC[C@@](C)(CBr)CNC(=O)c1cc(Br)cc(Br)c1 2140715798 VMHUKLSFDBOSOT-AWEZNQCLSA-N 451.984 4.366 50 10 JIGE O=C(NC1CC([C@@H](F)CCl)C1)c1ccc(Br)cc1I 2142283224 NGRMUZPOGATATH-FBUXNDKQSA-N 460.512 4.139 50 10 JIGE CC1(C)[C@H](CBr)OCCN1C(=O)c1cccc(Br)c1Br 2159639444 MCQRKJUKBZGXPU-NSHDSACASA-N 469.999 4.226 50 10 JIGE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(CBr)cc2)[C@@H](C(F)(F)F)C1 2186680917 DSJHJOWWBTYYFA-CQSZACIVSA-N 451.283 4.205 50 10 JIGE CN(CC(=O)Nc1ccc(Br)cc1Br)C[C@H]1C[C@@H](Br)C1 2196935308 XFGXIHSGOCLAMZ-JGZJWPJOSA-N 469.015 4.255 50 10 JIGE COc1cc(Cl)c([C@H](Br)c2nn(C)nc2Br)cc1Br 2226971532 DJDPUNANTVXNET-VIFPVBQESA-N 474.378 4.486 50 10 JIGE CC1(C)CCN(Cc2ccccc2)CCN1S(=O)(=O)c1cc(CBr)cs1 2231335192 MOSRVTKUPPGXEU-UHFFFAOYSA-N 457.459 4.318 50 10 JIGE Cc1ccc(C(=O)N2CC[C@H](Br)C(F)(F)CC2)cc1I 2232838121 BIGZWQOBZPRLFN-LBPRGKRZSA-N 458.084 4.234 50 10 JIGE COCCN(C[C@@H](C)Br)C(=O)c1c(Br)cccc1Br 2272447278 YTHYIIDBFJYOLK-SECBINFHSA-N 457.988 4.084 50 10 JIGE CCOc1c(Br)cc(C=NNC(=O)Cc2ccc(O)cc2)cc1Br 2318415439 QFNHSHQAPHHBHN-UHFFFAOYSA-N 456.134 4.009 50 10 JIGE COc1cc(CCl)cc(Br)c1OCc1ncc(I)cn1 2381293982 AQJFGWQFNCHVJF-UHFFFAOYSA-N 469.504 4.170 50 10 JIGE CCCCOc1ccccc1C(=O)NC(=S)NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1 14032473 KROJJDLUSUDSKE-QGZVFWFLSA-N 465.575 4.122 50 10 JIGE CC(C)(C)c1ccc(C(=O)NNC(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)cc1 17518524 XDDWVTCRACXBOQ-UHFFFAOYSA-N 457.574 4.451 50 10 JIGE CCCN(Cc1cc(NC(=O)[C@H](C)Cl)ccc1N(C)C)S(=O)(=O)c1ccc(F)cc1 34921733 DMTAUSOHJQEODR-HNNXBMFYSA-N 455.983 4.058 50 10 JIGE CCCc1cc(C(=O)OC)c(NC(=O)/C(C#N)=C\c2ccc(OC(C)=O)c(OCC)c2)s1 34988278 VRZKZVPGQLRRLZ-YBEGLDIGSA-N 456.520 4.357 50 10 JIGE N#CC1=C(N)Oc2cc(OC(=O)COc3cccc(Cl)c3)ccc2[C@@H]1c1ccc([N+](=O)[O-])cc1 38655074 SCYVMASQMGUXHW-QHCPKHFHSA-N 477.860 4.451 50 10 JIGE COc1cc([N+](=O)[O-])ccc1-n1nc(C)c(/C=N/NC(=O)[C@@H](C)SCc2ccccc2)c1C 59148157 FSMWBJXWIFZNMI-ZRWQFTNJSA-N 467.551 4.178 50 10 JIGE CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccc([N+](=O)[O-])cc3)nc2-c2ccccc2)C1=O 101332549 UXHKZJCIOSGVSO-FYJGNVAPSA-N 453.458 4.060 50 10 JIGE O=S(=O)(NC[C@@H](Br)C1CC1)c1c(Cl)cc(Br)cc1Cl 136650025 VHFAAHQRVRRKMC-MRVPVSSYSA-N 451.995 4.208 50 10 JIGE CCN(CCCBr)C(=O)c1cc(I)ccc1Br 233468502 HKQHBVQPXJNWCM-UHFFFAOYSA-N 474.962 4.301 50 10 JIGE COc1ccc(C(=O)NN=Cc2cc(Cl)c(OS(=O)(=O)c3ccc(C)cc3)c(OC)c2)cc1 252636753 XMGOATKHOMNQOL-UHFFFAOYSA-N 488.949 4.197 50 10 JIGE C[C@@H](Br)C[C@H]1CCCCN1C(=O)c1cc(I)ccc1O 312348937 IBKVYDFGYGKSDT-ZYHUDNBSSA-N 452.130 4.165 50 10 JIGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccccc2SCC(F)(F)F)cc1 1672601748 ZMNYGRWHRIVPOC-CYBMUJFWSA-N 455.458 4.164 50 10 JIGE CCCOc1cccc(/C=N/NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1 1860773765 DOQLJAWHXRHABK-QWVVAXMISA-N 452.580 4.083 50 10 JIGE COc1ccc(-c2ccc(C(=O)NNC(=O)[C@@H](C)Oc3ccc(C(C)C)cc3)c(C)n2)cc1OC 1865759193 MZBPGAJTUNUHCH-GOSISDBHSA-N 477.561 4.426 50 10 JIGE Cc1nc(I)c(I)n1CC[C@@H](C)CCBr 1928099187 UFMYWZXDJIWQMT-ZETCQYMHSA-N 496.956 4.212 50 10 JIGE CCN(C[C@](C)(CI)O[C@@H]1CCN2CCC[C@H]2C1)C(=O)OC(C)(C)C 2078758892 MMBGVYAPJCVDJI-FCEWJHQRSA-N 466.404 4.081 50 10 JIGE Cc1c([C@@H](Cl)c2cc(I)cc3c2OCC3)nn(C)c1Br 2168216727 WJFDMLNOCZWJJO-NSHDSACASA-N 467.532 4.359 50 10 JIGE CCN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(CBr)ccc1F 2179787831 UOFKXMOLUCWPHY-GOSISDBHSA-N 455.393 4.006 50 10 JIGE Cc1cc(S(=O)(=O)N2CCC[C@H](OCc3ccccc3)C2)cc(CBr)c1F 2186382783 XALIPWYFGADACT-SFHVURJKSA-N 456.377 4.399 50 10 JIGE CC[C@@H]1CN(S(=O)(=O)c2cc(Br)ccc2Br)C[C@H]1CBr 2205682595 KJIUREREZVRWAZ-NXEZZACHSA-N 490.055 4.253 50 10 JIGE O=C(c1cc(I)ccc1F)N1[C@H](CBr)CCC12CCC2 2205770552 ABKYUBNWYUBNHS-NSHDSACASA-N 452.105 4.353 50 10 JIGE O=S(=O)(Cc1ccsc1Br)N(CCBr)Cc1ccccc1 2209553654 ZZVZNKHGHPAHRQ-UHFFFAOYSA-N 453.221 4.238 50 10 JIGE BrC[C@]12CN(Cc3cccc(Br)c3Br)C[C@@H]1CCO2 2231270547 RMQFFYUXKNQTCI-FZMZJTMJSA-N 454.000 4.197 50 10 JIGE CCN(C[C@](C)(CI)O[C@@H](C)COC(F)F)C(=O)OC(C)(C)C 2242771868 CLOVUJWAQURNRV-NHYWBVRUSA-N 451.292 4.081 50 10 JIGE CC[C@@H](C)[C@H](CI)NC(=O)c1c(F)cccc1I 2255924950 BAQXSKMCYOPKGJ-KCJUWKMLSA-N 475.083 4.010 50 10 JIGE N#Cc1cc(I)c(Oc2nc(CBr)cs2)c([N+](=O)[O-])c1 2280062110 CNXNQDOEAKUDID-UHFFFAOYSA-N 466.054 4.215 50 10 JIGE N#CC(=Cc1cn(Cc2ccccc2)nc1-c1cccnc1)C(=O)Nc1ccc2c(c1)OCCO2 2297382513 QPQSHZAJKKCOEY-UHFFFAOYSA-N 463.497 4.310 50 10 JIGE CN(Cc1c(Br)c(Br)nn1C)C[C@@H](CBr)CC1CC1 2338944069 JRPRONXWQAJTEV-SNVBAGLBSA-N 458.036 4.188 50 10 JIGE CO[C@@]1(CCl)CCCN(Cc2ccc(I)c(Br)c2)C1 2349847743 MFRYKSSTMTZIBM-CQSZACIVSA-N 458.565 4.274 50 10 JIGE FC(F)(F)c1cnc(N2[C@H]3CC[C@H](C3)[C@@H]2CBr)c(I)c1 2355775413 NHIZYYYQWKZMKQ-HDBBIHSSSA-N 461.063 4.457 50 10 JIGE CCOc1cc(C=NNC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccc(F)cc1 8442918 AXJCFEYQGJMLGQ-UHFFFAOYSA-N 451.410 4.116 50 10 JIGE CC[C@H](Oc1ccccc1[C@H](C)CC)C(=O)NNC(=O)COc1ccc(Br)cc1 10683474 GJHCVUOWFFNZNI-BEFAXECRSA-N 463.372 4.346 50 10 JIGE Cc1cc(Br)ccc1OCC(=O)NNC(=S)NC(=O)c1ccc(-c2ccccc2)cc1 12500736 IEEMKUHNNANFPU-UHFFFAOYSA-N 498.402 4.139 50 10 JIGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2OCc2ccccc2)cc1 14031340 VYMUFKTWWIXMLV-UHFFFAOYSA-N 463.559 4.004 50 10 JIGE CCCCOc1ccccc1C(=O)NC(=S)NNC(=O)C(c1ccccc1)c1ccccc1 14032365 ZKCOIUFUUCBTSZ-UHFFFAOYSA-N 461.587 4.333 50 10 JIGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)[C@@H](C)Oc2c(C)cc(Br)cc2C)c1 14643258 QONWGYHVWAHMIV-QGZVFWFLSA-N 477.399 4.491 50 10 JIGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)N/N=C/C(Cl)(Cl)Cl 59261646 UTMFRPXDIZSPAO-LSHDLFTRSA-N 482.224 4.294 50 10 JIGE CC(=O)N1CCc2cc(Br)cc(NC(=O)NC[C@]3(C)C[C@@H](N=C=O)CC(C)(C)C3)c21 170290033 AONHFKPUTMZTFC-HTAPYJJXSA-N 477.403 4.400 50 10 JIGE O=C(N[C@@H]1CCC[C@@H]1CBr)c1cc(Br)ccc1I 231577402 YVZFHWVDUQNPPN-PRHODGIISA-N 486.973 4.347 50 10 JIGE O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NN=Cc1ccco1 252621735 NFUBMFCRQIHVOP-UHFFFAOYSA-N 485.871 4.297 50 10 JIGE C[C@@H](Br)[C@H]1CCCCN1S(=O)(=O)c1cc(Cl)c(Br)s1 708496060 JLIYXRDTESAEIU-VXNVDRBHSA-N 451.633 4.491 50 10 JIGE COc1ccc(N2CCC(NC(=O)/C(C#N)=C\c3cn(CCC#N)nc3-c3ccccc3)CC2)cc1 726563037 BJSHVLHZRIDCGF-PYCFMQQDSA-N 480.572 4.165 50 10 JIGE O=C(NN=Cc1cc(Cl)ccc1O)[C@@H]1CCCN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1084097561 CZTSFKFZCHYZQY-HNNXBMFYSA-N 456.808 4.092 50 10 JIGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCC)c(I)c2)cc1 1084220318 DKHZHGATRXYMOD-IBGZPJMESA-N 496.345 4.053 50 10 JIGE O=C(COc1ccc(Br)cc1)NN=Cc1cc(Br)c(Br)o1 1084235367 IYQURUHCWVLFLW-UHFFFAOYSA-N 480.938 4.096 50 10 JIGE Cc1cccc(C)c1N(CC(=O)NN=Cc1cc(C)n(-c2ccc(Cl)cc2)c1C)S(C)(=O)=O 1084324432 WJMKSBYWPWBKAR-UHFFFAOYSA-N 487.025 4.281 50 10 JIGE Cc1cc(C=NNC(=O)[C@@H]2COc3ccccc3O2)c(C)n1-c1ccc(Br)cc1 1084379178 BPALPMKTAFVEOU-NRFANRHFSA-N 454.324 4.147 50 10 JIGE C/C(=C\C(=O)NNC(=O)COc1ccccc1Br)c1cccc(C(F)(F)F)c1 1596609102 MPNLXTLNXCDELR-FMIVXFBMSA-N 457.246 4.098 50 10 JIGE C#Cc1ccc(NC(=O)NNC(=O)[C@H]2Cc3ccccc3CN2Cc2ccccc2)c(Cl)c1 1627814410 BQHLOOSFXDSZIX-XMMPIXPASA-N 458.949 4.101 50 10 JIGE COc1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1cncc(Br)c1)CCC2 1772748506 YURBGZBUAPWQIN-UHFFFAOYSA-N 497.349 4.477 50 10 JIGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2F)cc(Br)c1O 1865688536 UOEBDZYIXSEWOL-FQEVSTJZSA-N 499.340 4.464 50 10 JIGE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@H]2c1cc(Br)cc(OC)c1O 1865697272 YXXDBCVMJVYEAL-GFCCVEGCSA-N 473.249 4.007 50 10 JIGE COc1cc(OC)cc(C(=O)NNC(=O)c2ccc(-c3ccc(Cl)cc3Cl)nc2C)c1 1865759713 OGYQTLWBJRWAOB-UHFFFAOYSA-N 460.317 4.456 50 10 JIGE O=C(c1ccc(F)cc1I)N1CC[C@@]2(CCC[C@H]2Br)C1 1918942649 YEPDJZBGEOPTIO-HIFRSBDPSA-N 452.105 4.210 50 10 JIGE COCC1(CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2I)CCCCC1 1945637494 QOXOVYXGEWGPTR-LSDHHAIUSA-N 453.361 4.023 50 10 JIGE CN(c1ncc(I)cc1Br)[C@@H]1CCC[C@@H]1Br 1988535640 YOGNTJMMULJGQD-WCBMZHEXSA-N 459.951 4.201 50 10 JIGE C[C@@H]1CN(c2ncc(I)cc2Br)C[C@@]1(C)CBr 2015763353 XFDUJFQNWBMKCC-PRHODGIISA-N 473.978 4.306 50 10 JIGE CC(C)(CBr)c1cn(-c2ccc(I)cc2Br)nn1 2046455577 GZXIXUHYVCCCIX-UHFFFAOYSA-N 484.961 4.307 50 10 JIGE Cc1ccc(O)c(Cn2nc(CBr)c(I)c2C(F)(F)F)c1 2079246159 YEFRQEBCINVWSM-UHFFFAOYSA-N 475.046 4.464 50 10 JIGE COc1ccc(-n2nc(CBr)c(I)c2C(F)(F)F)cc1 2079257354 NJSPXIYPTHLDCW-UHFFFAOYSA-N 461.019 4.399 50 10 JIGE O=C(NC1(CCCBr)CC1)c1ccc(Br)cc1I 2086138854 GZCSKWRHHHGNBE-UHFFFAOYSA-N 486.973 4.491 50 10 JIGE O=C(N[C@@H]1C[C@H](CBr)[C@@H]2C[C@H]12)c1ccc(Br)cc1Br 2110550494 SPWPYYOPAQTHRE-XKYKYCOXSA-N 451.984 4.361 50 10 JIGE C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(CBr)c2)CCN1Cc1ccccc1 2123198325 BVCLYCLJUMBRHJ-OAHLLOKOSA-N 457.821 4.130 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CC[C@H](CCl)C12CC2 2142278294 BALWWVKZKOWXCC-SECBINFHSA-N 454.533 4.287 50 10 JIGE O=S(=O)(C[C@@H](Br)c1ccc(I)c(Cl)c1)N1CCCCC1 2145634699 BVQAEFMBRKHASL-LLVKDONJSA-N 492.604 4.196 50 10 JIGE O=C(c1csc(I)c1)N1Cc2ccccc2[C@@H](CBr)C1 2176252609 QONXZRDCNQOMHF-LBPRGKRZSA-N 462.150 4.487 50 10 JIGE CCN(CC)CCN(Cc1ccccc1)S(=O)(=O)c1c(C)oc(C)c1CBr 2179788537 DEEAPKJTAFXLFR-UHFFFAOYSA-N 457.434 4.324 50 10 JIGE FC(F)(F)c1cnc(N2C[C@@H]3CC(Br)C[C@H]3C2)c(I)c1 2185079971 REZQMBBVGUDRMI-YUMQZZPRSA-N 461.063 4.315 50 10 JIGE O=[N+]([O-])c1ccc(C[C@@H](Br)c2cc(I)sn2)c(F)c1 2229155475 YLFCTLWODMLSAZ-MRVPVSSYSA-N 457.062 4.474 50 10 JIGE O=C(c1sccc1I)N1C[C@@H]2CCCC[C@]2(CBr)C1 2230614070 RRVSGKMWTQQHTE-HZMBPMFUSA-N 454.171 4.380 50 10 JIGE COc1ccc(C=C(C#N)C(=O)Nc2sccc2C(=O)OC(C)C)cc1Cn1cc([N+](=O)[O-])cn1 2295680565 BADUFIWHZWOOIO-UHFFFAOYSA-N 495.517 4.021 50 10 JIGE COc1cccc(C=C(C#N)c2nn(CCO)c(N)c2C#N)c1OCc1ccc(Cl)cc1Cl 2296737730 FYXGKTGEXYDSAX-UHFFFAOYSA-N 484.343 4.288 50 10 JIGE CC1=NN(c2ccccc2)C(=O)C1=CNc1ccccc1S(=O)(=O)C(F)(F)[C@H](F)Cl 2296800628 KEUKGAJTGPTHKZ-SFHVURJKSA-N 457.861 4.306 50 10 JIGE CC(C)CC(CBr)(CBr)Cc1nn(C)cc1I 2302824171 GWTDWPTUVSBLIH-UHFFFAOYSA-N 478.010 4.390 50 10 JIGE O=C(Cc1ccc(Br)cc1)N[C@@H](CCBr)COCc1ccccc1 2303549524 WQFDHIRIWCTERS-SFHVURJKSA-N 455.190 4.478 50 10 JIGE CCOc1ccc(/C=N/NC(=O)CNc2ccc(Br)cc2Br)cc1 3091088 DYOPLYFLNBYSGL-UFFVCSGVSA-N 455.150 4.173 50 10 JIGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(=S)NNC(=O)c1ccc(C(C)(C)C)cc1 13978970 KEQKAIOZSWZBOA-GFCCVEGCSA-N 468.406 4.394 50 10 JIGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(OC)c(OC)c(OC)c4)ccc32)c1 38650173 PMJAQAXLSJFOSU-XMMPIXPASA-N 488.496 4.158 50 10 JIGE Cc1cc(C)cc(Nc2ncnc(NNC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2[N+](=O)[O-])c1 40583054 PNMDSQZMAROFJS-UHFFFAOYSA-N 457.834 4.064 50 10 JIGE Cc1c(C(=O)NCCc2ccccc2)oc2c1/C(=N/NC(=O)c1cncc(Br)c1)CCC2 40823029 TUKOPJNKBHLRQE-TURZUDJPSA-N 495.377 4.188 50 10 JIGE C=CCOc1c(CC=C)cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1OC 58895315 ZQMDSXGORNSWKV-FELXSTKCSA-N 452.551 4.351 50 10 JIGE Cc1ccc(C(C)C)c(OCC(=O)N/N=C2/C(=O)N(Cc3ccc([N+](=O)[O-])cc3)c3ccccc32)c1 59148473 KCPCMYQSUDPBTN-PBBVDAKRSA-N 486.528 4.473 50 10 JIGE COc1ccc(/C=N\NC(=O)c2cccn(Cc3cccc(Cl)c3)c2=O)cc1OC(C)C 169920650 JTLKKJWOSXCCBW-WGARJPEWSA-N 453.926 4.110 50 10 JIGE CCOC(=O)COc1ccccc1C=NNC(=O)/C(=C/C=C\c1ccccc1)NC(=O)c1ccccc1 252642048 ZJBGTTVLMLHJHC-WKOUEYBLSA-N 497.551 4.106 50 10 JIGE CCOc1cc(C=NNC(=O)c2ccc(COc3ccccc3)o2)c(Br)cc1O 254481497 VNJRVXWCPSMAIK-UHFFFAOYSA-N 459.296 4.489 50 10 JIGE O=[N+]([O-])c1sc(CBr)cc1N1CCO[C@H]2CCN(Cc3ccccc3)C[C@H]21 404199925 QSNWHZWKVQSWPY-MSOLQXFVSA-N 452.374 4.031 50 10 JIGE C[C@@H]1CN(S(=O)(=O)c2cc(Br)ccc2Br)C[C@@H](C)C1Br 688093047 NUMQJVIMJNEGFR-RKDXNWHRSA-N 490.055 4.252 50 10 JIGE COc1ccc(C(=O)Nc2nc(CC(C)=NNC(=O)c3ccc(C(C)(C)C)cc3)ns2)cc1OC 725757309 NVMGXZUYMIPBKT-UHFFFAOYSA-N 495.605 4.454 50 10 JIGE O=C(NN=Cc1cc(Br)c(O)cc1O)c1cc2cc(Br)ccc2o1 1084532386 UGCJKOUUBSZPFM-UHFFFAOYSA-N 454.074 4.133 50 10 JIGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccccc2O)c2cc(Cl)cc(Cl)c2)cc1 1084636944 DXJFDNXBEPVRPR-UHFFFAOYSA-N 492.384 4.353 50 10 JIGE CC(C)(C)[C@H]1CCc2sc(C(=O)NNC(=O)CCc3nc4ccccc4c(=O)n3C3CC3)cc2C1 1087437082 COELXGDEZXVXRF-KRWDZBQOSA-N 492.645 4.338 50 10 JIGE COc1cccc(C(=O)N[C@@H]2Cc3ccccc3C2=NNC(=O)Nc2ccc(OC(F)(F)F)cc2)c1 1088687510 ZBAXLAOCKLQBEV-OAQYLSRUSA-N 498.461 4.474 50 10 JIGE COc1cc(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(F)cc2)c1O 1865696487 NVKQZJRCKVUKHP-LJQANCHMSA-N 485.313 4.074 50 10 JIGE COc1ccc(-c2nn(CC(C)C)c3c2[C@@H](c2ccc(OC)c(OC)c2)C(C#N)=C(N)O3)cc1 1865708313 TYBYHPSHJSTLNH-QFIPXVFZSA-N 460.534 4.450 50 10 JIGE CC(C)(NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)Nc1ccc(SC#N)cc1 1866859355 ZBNUZXXDQQQZFF-LJQANCHMSA-N 467.620 4.131 50 10 JIGE CSCC[C@H](NC(=O)c1cc(C)n(-c2ccccc2F)n1)C(=O)Nc1ccc(SC#N)cc1 1867172016 IKIRJCVWBVFGNL-IBGZPJMESA-N 483.594 4.383 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@](CBr)(OCCOCCOCc2ccccc2)C1 1910535641 ZUHPIZGXLYAUQK-JOCHJYFZSA-N 472.420 4.401 50 10 JIGE CCc1nn(-c2cc(CCl)c(Br)cn2)c(CC)c1I 2093909802 QLWWDBZAOKEBJI-UHFFFAOYSA-N 454.537 4.498 50 10 JIGE CC1(C)C[C@H](CBr)N(S(=O)(=O)c2cc(Cl)c(Br)s2)C1 2094748610 DDUXKGTYNOIXTM-SSDOTTSWSA-N 451.633 4.348 50 10 JIGE Cc1sc(CBr)cc1S(=O)(=O)N1C[C@@H](C)N(Cc2ccccc2)C[C@@H]1C 2123232130 MKPNHPBLLBPHHA-CABCVRRESA-N 457.459 4.235 50 10 JIGE CC(C)(C)OC(=O)NC[C@@H](NC(=O)[C@H](Br)C1CCCC1)C(F)(F)C(F)(F)F 2167049847 HJUGMMQYUCMLCW-GHMZBOCLSA-N 467.273 4.147 50 10 JIGE COc1nn(C)cc1COc1c(Br)cc(Br)cc1CBr 2167896936 AVIZLPHBSCAXTP-UHFFFAOYSA-N 468.971 4.428 50 10 JIGE COCCNCc1cc(Br)cc(Br)c1OC[C@H]1C[C@H]1Br 2196906759 JDFIZRIZRREQDN-ZYHUDNBSSA-N 472.015 4.110 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CCC([C@@H](F)CCl)CC1 2207269655 VBMALVPTXFTHME-LBPRGKRZSA-N 474.539 4.483 50 10 JIGE CC[C@H](Br)c1cn(-c2ccc(Br)cc2I)nn1 2217171840 FVAMQYHMHFAZCO-QMMMGPOBSA-N 470.934 4.480 50 10 JIGE Cn1nc(Br)c([C@H](Br)c2cc(Br)cc3c2OCCC3)n1 2235268407 FJPGVCROPLLNKY-SNVBAGLBSA-N 465.971 4.149 50 10 JIGE O=C(NC[C@H]1CCC[C@@H](CBr)C1)c1c(F)cccc1I 2282810534 WUWMFEXHFOPBJV-MNOVXSKESA-N 454.121 4.361 50 10 JIGE N#CC(=Cc1ccc(Sc2n[nH]c(-c3ccc(Cl)cc3Cl)n2)c([N+](=O)[O-])c1)C(N)=O 2297629151 GOJWXZNRYBTQKD-UHFFFAOYSA-N 461.290 4.230 50 10 JIGE O=C(N[C@@H](CCCl)COCc1ccccc1)c1cc(I)ccc1F 2303701612 BOLQZHZZFILIKX-HNNXBMFYSA-N 461.702 4.374 50 10 JIGE CN(C)c1ccc([C@@H](NC(=O)C(C#N)=Cc2ccc(Br)cc2)c2nccn2C)cc1 2329660069 XSWFLNVGUCKXAM-OAQYLSRUSA-N 464.367 4.061 50 10 JIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(C)cc4)c32)cc(OC)c1OC(=O)c1ccco1 8557880 NOKOOAZFRJKOEW-OAQYLSRUSA-N 498.495 4.433 50 10 JIGE Cc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(-c3ccccc3)cc2)cc1Br 13982116 UGSMVNRHBRIXDK-UHFFFAOYSA-N 498.402 4.139 50 10 JIGE O=C(CSc1nc2ccccc2[nH]1)N/N=C\c1cc(Br)c(O)c(Br)c1 32519903 UGZNWAZAUDEJIV-GXHLCREISA-N 484.173 4.036 50 10 JIGE CCOC(=O)c1c(-n2c(C)cc(/C=C(/C#N)C(=O)NC[C@@H]3CCCO3)c2C)sc2c1CCCC2 33409456 JWFUCIAGEXVVCT-DTBYZMGXSA-N 481.618 4.413 50 10 JIGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)/C=C\c3ccco3)cc2)cc1 35021346 WHQWMWXRYIBYEK-PFONDFGASA-N 490.585 4.178 50 10 JIGE COc1ccccc1NC(=O)/C(C#N)=C/c1c(Oc2ccccc2OC)nc2c(C)cccn2c1=O 39993103 JWMFYYLVAHLMCI-OBGWFSINSA-N 482.496 4.358 50 10 JIGE O=C(NNc1ncnc(Nc2cc(C(F)(F)F)ccc2Cl)c1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 40583288 KLPRCNYIBSULHE-UHFFFAOYSA-N 497.777 4.466 50 10 JIGE COc1ccc2nc(Nc3ncnc(NNC(=O)c4ccc(Cl)cc4)c3[N+](=O)[O-])sc2c1 40657587 QDUCEINTZUNPMU-UHFFFAOYSA-N 471.886 4.157 50 10 JIGE Cc1c(C(=O)N(CC#N)CC#N)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 40822689 IKCHVXIEPMWFGX-JBASAIQMSA-N 465.513 4.215 50 10 JIGE COc1cc([N+](=O)[O-])ccc1-n1nc(C)c(/C=N/NC(=O)CSCc2ccccc2Cl)c1C 59148645 YPXWHTXMOKDPRG-BHGWPJFGSA-N 487.969 4.443 50 10 JIGE Cc1c(/C=N/NC(=O)c2cc(Br)cc(Br)c2O)c2ccccc2n1C 59249729 RDNBLIOYNUDMRQ-ZVBGSRNCSA-N 465.145 4.481 50 10 JIGE Cc1c(C(=O)NNC(=O)COc2ccccc2)oc2c1/C(=N\Nc1ccccc1)CC(C)(C)C2 101109097 MMQSXRYZURHTOL-RRAHZORUSA-N 460.534 4.217 50 10 JIGE O=S(=O)(N[C@H]1CCC[C@@H](CBr)C1)c1cc(Cl)c(Br)s1 302582137 FROODTPURLGDKU-SFYZADRCSA-N 451.633 4.396 50 10 JIGE CCC(CBr)(CBr)NC(=O)c1cc(Br)ccc1OC 306118997 YIKBHCFNBFKFEY-UHFFFAOYSA-N 457.988 4.126 50 10 JIGE COc1cc(Br)c([C@@H](Cl)c2cnn(C)c2I)cc1OC 381926095 QARJDQMRMZTDRD-GFCCVEGCSA-N 471.520 4.133 50 10 JIGE O=C(CBr)c1c(I)ccc(Br)c1OC(F)F 575682438 QLJUXBFQMDHUSY-UHFFFAOYSA-N 469.845 4.233 50 10 JIGE O=C(NCc1cccc(C(F)(F)F)c1)NNC(=O)C1CCN(c2nc3ccccc3s2)CC1 727375614 IQNRYUQXDYFSAB-UHFFFAOYSA-N 477.512 4.062 50 10 JIGE O=C(NN=C1C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21)c1cccc(F)c1 1084414297 YDQBBFJILGHZEB-UHFFFAOYSA-N 470.273 4.408 50 10 JIGE Cc1c(C(=O)Nc2cccc([N+](=O)[O-])c2)oc2c1C(=NNC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 1772745118 RHNRSGRAQKJYTD-UHFFFAOYSA-N 477.433 4.127 50 10 JIGE Cc1c(C(=O)Nc2ccccc2Br)oc2c1C(=NNC(=O)c1ccccn1)CCC2 1772746393 BOCNFWRKDRAIGX-UHFFFAOYSA-N 467.323 4.468 50 10 JIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(F)c2)cc(Br)c1O 1865689361 QIAJYZWFZWFPKZ-LJQANCHMSA-N 485.313 4.074 50 10 JIGE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@H]2c1cc(Br)cc(OC)c1O 1865696892 TUHWVLKHRYEMND-GOSISDBHSA-N 497.349 4.273 50 10 JIGE CC(C)(C)OC(=O)Nc1cc(I)cc(C(=O)NC[C@@H]2C[C@H]2Br)c1 1897147749 RYXZXEGLNVMIRI-GXFFZTMASA-N 495.155 4.151 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OCC(F)(F)C(F)F)C1 1900569076 IYTWRPIZMAGZMP-ZDUSSCGKSA-N 455.230 4.108 50 10 JIGE COc1cc(C)c([C@H](Cl)c2cnn(C)c2I)cc1Br 1901630305 MARLHKIRFKPTNK-LBPRGKRZSA-N 455.521 4.432 50 10 JIGE O=C(N[C@H](CBr)C[C@@H]1CCCO1)c1c(Br)cccc1Br 1926737344 SWNQKIFQYIQQBB-UWVGGRQHSA-N 469.999 4.274 50 10 JIGE Brc1cccc(CN2C[C@H]3COC[C@@H](C2)[C@H]3Br)c1Br 2132541963 FSHHLZOCANXNED-PTEHBNRSSA-N 454.000 4.053 50 10 JIGE CC(C)(CBr)[C@H]1CCCN1C(=O)c1cc(I)ccc1O 2155824042 KWYDEVMFPNSPLP-CYBMUJFWSA-N 452.130 4.023 50 10 JIGE O=C(c1cccc(F)c1I)N1CC2(CBr)CCC1CC2 2178880732 REDQPHMIHWFEKW-UHFFFAOYSA-N 452.105 4.210 50 10 JIGE CCN(CC)CCN(Cc1ccccc1)S(=O)(=O)c1cc(CBr)ccc1C 2179789058 LDFPOPVODAPXRF-UHFFFAOYSA-N 453.446 4.423 50 10 JIGE CC(C)n1cc(S(=O)(=O)N2CCC[C@@H](OCc3ccccc3)C2)cc1CBr 2186381011 MLRSWWPHSNRPKW-LJQANCHMSA-N 455.418 4.334 50 10 JIGE C[C@@H](NC(=O)c1cccc(Br)c1Br)c1nnc(CBr)s1 2192604097 VRIQCZQLJFNGSI-ZCFIWIBFSA-N 484.011 4.449 50 10 JIGE CN(C[C@H]1C[C@@H](Br)C1)c1nc([C@H](CCC(=O)O)NC(=O)OC(C)(C)C)cs1 2198786313 BGWFPRWWGWTBIX-XQQFMLRXSA-N 462.410 4.183 50 10 JIGE Cc1ccc(I)c(C(=O)NCCSSCCNC(=O)OC(C)(C)C)c1 2224043463 FGNIVJMIUJVBQC-UHFFFAOYSA-N 496.436 4.236 50 10 JIGE CN(C[C@@H]1C[C@@H]1Br)C(=O)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229115967 ZZPLLDTYAOMQEG-BPUTZDHNSA-N 490.236 4.127 50 10 JIGE COc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2)cc1OC 2314753759 DSNDONDKDCITGX-UHFFFAOYSA-N 458.470 4.139 50 10 JIGE CCCCOC(=O)c1ccccc1NC(=O)C(C#N)=CN1CCN(c2cccc(C)c2C)CC1 2320907483 KSQVOKOWGKVTCL-UHFFFAOYSA-N 460.578 4.429 50 10 JIGE CCOc1c(OC)cc(C=NNC(=O)c2ccc3nc(Cc4ccccc4)[nH]c3c2)cc1OC 2323721061 JKVLOMUFCNBFKU-UHFFFAOYSA-N 458.518 4.334 50 10 JIGE CC(C)(C)OC(=O)NCCCC[C@@](C)(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2325063827 LLWYWYIVNCROOD-OAQYLSRUSA-N 495.708 4.020 50 10 JIGE COC[C@@]1(CBr)C=CCN1C(=O)c1cc(Br)cc(Br)c1 2379852109 RRHZQAIFDFZNCG-AWEZNQCLSA-N 467.983 4.004 50 10 JIGE O=C(CCS(=O)(=O)c1ccc(Cl)cc1)NNc1nc2c(Br)cccc2s1 10045944 RXSWJFGHPFXWQH-UHFFFAOYSA-N 474.789 4.019 50 10 JIGE O=C(CCCOc1ccc(Cl)cc1Cl)NC(=S)NNC(=O)c1cc2ccccc2cc1O 12570207 OHCXEWSJAKJRAC-UHFFFAOYSA-N 492.384 4.347 50 10 JIGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OC)cc2OC)cc1 38656748 RWWBXDKHUCVDAB-DEOSSOPVSA-N 458.470 4.150 50 10 JIGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4)ccc32)cc1OC 38659481 AUYVSVZMMHPIGW-SANMLTNESA-N 472.497 4.296 50 10 JIGE COc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cc(OC)c(OC)c(OC)c1 38660446 GXZQERSAVOZGPU-XMMPIXPASA-N 488.496 4.158 50 10 JIGE O=C(COc1ccccc1Cl)N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21 40846287 IEHBIMHEDXNNJJ-QYQHSDTDSA-N 454.313 4.440 50 10 JIGE O=C(N/N=C/c1cc(Br)c(I)o1)Nc1cccc(Cl)c1 59104652 MDIJBKDOFNBBFY-OMCISZLKSA-N 468.476 4.456 50 10 JIGE N#C/C(=C\Nc1ccc(S(=O)(=O)NC(N)=O)cc1)c1nc(-c2ccc3ccccc3c2)cs1 102457995 HKLUVINKKHEMJE-QGOAFFKASA-N 475.555 4.297 50 10 JIGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CCC[C@H]1CCCBr 126050837 BMHJQTHYIXWCTK-MRVPVSSYSA-N 451.633 4.492 50 10 JIGE Cc1cc(S(=O)(=O)N[C@H](CBr)Cc2ccccc2)sc1Br 136909919 OKYSTPDZNFRRKG-LBPRGKRZSA-N 453.221 4.104 50 10 JIGE COc1cc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1OC(=O)c1cccs1 254716307 YOHUEEVKPAUPKZ-UHFFFAOYSA-N 486.549 4.362 50 10 JIGE C[C@@H](Br)c1cnnn1-c1ccc(I)cc1Br 309432793 MDQQUOVJNUPRPL-ZCFIWIBFSA-N 456.907 4.090 50 10 JIGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)[C@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 914869961 KRVHTABKVLNVTM-INIZCTEOSA-N 460.433 4.383 50 10 JIGE COc1cc(C=NNC(=O)COc2ccc(Cl)cc2Cl)cc(Br)c1OC 1084453842 CYIAYANSLRAAOM-UHFFFAOYSA-N 462.127 4.302 50 10 JIGE C#C[C@H](NC(=O)NNC(=O)c1ccc(OCCC(C)C)cc1)c1ccc(Br)cc1 1564999435 KDUWJFKMWFZPMO-FQEVSTJZSA-N 458.356 4.193 50 10 JIGE C[C@@H]1OC[C@@H](Br)[C@@H]1Cc1ccc(I)c(Br)c1 1904327772 ANVAUQYOYUIQGK-JVUFJMBOSA-N 459.947 4.395 50 10 JIGE O=C(c1scc(Br)c1Br)N1CC[C@@H]2[C@H](CBr)[C@@H]2C1 2032236168 ZKOIEOBSQFNGMG-GJMOJQLCSA-N 458.013 4.376 50 10 JIGE CCc1cc(I)cc(CBr)c1I 2060216868 YHISQAXRDNYUIC-UHFFFAOYSA-N 450.883 4.353 50 10 JIGE CN(C(=O)c1cc(I)ccc1Br)C1(CCBr)CC1 2069687431 ATQSWQNHFQNGFL-UHFFFAOYSA-N 486.973 4.443 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H]2CC[C@H](C1)C2Cl 2111478117 NISQUKCMRNWTPR-HWYHXSKPSA-N 454.533 4.143 50 10 JIGE C[C@H](CCC(F)F)N(C)S(=O)(=O)c1cc(CBr)sc1Br 2179793796 YXZCMRJLZMFJBU-SSDOTTSWSA-N 455.184 4.460 50 10 JIGE COc1c(CBr)cc(Cl)cc1S(=O)(=O)N1CC[C@@H](OCc2ccccc2)C1 2179827192 BJZMBNYXPBBKMP-QGZVFWFLSA-N 474.804 4.223 50 10 JIGE O=S1(=O)C[C@@H]2[C@H]([C@H](Br)c3c(Br)cc(F)c(Cl)c3F)[C@@H]2C1 2201620513 BUIZVOBYRQVPGO-DDAZSXFFSA-N 450.526 4.107 50 10 JIGE COc1cc(C[C@@H](Br)CN2C(=O)c3ccccc3C2=O)ccc1Br 2241463970 SGNOGRYELAFFIQ-GFCCVEGCSA-N 453.130 4.060 50 10 JIGE CCOC(=O)C(C#N)=C(O)c1ccc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc1 2297624659 YNPLVKBZCRSFST-UHFFFAOYSA-N 478.505 4.439 50 10 JIGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)SC2=C(C#N)C(=O)NC)cc1 2314593956 WMHNENLHMNLSEV-LJQANCHMSA-N 470.392 4.184 50 10 JIGE Cc1sc2ncn(CC(=O)NN=Cc3ccc(F)c(Br)c3)c(=O)c2c1-c1ccccc1 2325904119 CLKRVPIGZFEJDH-UHFFFAOYSA-N 499.365 4.485 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CC[C@@H]2[C@H](C1)[C@@H]2CBr 2333120667 ALHJIIHTSHUPOL-AXFHLTTASA-N 498.984 4.157 50 10 JIGE CC(C)C[C@@H](CBr)CN(C)Cc1c(Br)c(Br)nn1C 2353833425 DMPGLSBWFQPRFG-JTQLQIEISA-N 460.052 4.434 50 10 JIGE COCCO[C@@H]1[C@H](Br)C[C@H]1OCc1c(Br)cccc1Br 2366144382 DTDBXDUBGNLVJB-MGPQQGTHSA-N 472.999 4.296 50 10 JIGE CN1C(=O)[C@@]2(C(C#N)=C(N)N(c3cc(Cl)cc(Cl)c3)C3=C2C(=O)CCC3)c2ccccc21 623093 BQPVBLMBMZBWJM-XMMPIXPASA-N 465.340 4.429 50 10 JIGE COc1cc(/C=N/NC(=O)/C(=C/c2ccccc2)NC(=O)c2ccccc2)cc(Br)c1O 2906491 UKHPCRGSSIKDQD-PKKCANNZSA-N 494.345 4.085 50 10 JIGE CCOC(=O)c1nn(-c2ccc(C(F)(F)F)cc2)c(=O)c2c(NC(=O)[C@@H](C)Cl)scc12 9277669 XKLNRZVUOBMZPO-SECBINFHSA-N 473.860 4.209 50 10 JIGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)Cc3ccccc3)cc2)cc1 12571314 MXVZQRKORUXOQC-UHFFFAOYSA-N 488.613 4.115 50 10 JIGE COc1cc(C(=O)Oc2ccc(/C=N\NC(=O)CCc3ccccc3)cc2)cc(OC)c1OC 33939362 SJKJZWRLHGRAOI-PKAZHMFMSA-N 462.502 4.015 50 10 JIGE CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C\c2ccc(OC)c(OC)c2)c(OCC)c1 35175100 BGXWNEHUNSNHCI-UXZHGZJPSA-N 451.475 4.191 50 10 JIGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\Nc3ccccc3Cl)C2=O)cc1OC 101233005 JCWRUGDHEPINFY-NBVRZTHBSA-N 451.910 4.105 50 10 JIGE C=CCC1=CC=C/C(=C\NNC(=O)CSc2nc3ccccc3n2Cc2ccccc2)C1=O 137468148 LGROHPRYFXCZPU-LTGZKZEYSA-N 456.571 4.323 50 10 JIGE COc1ccc(CN/C=C(/C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 216490020 FBRNYZHUWHXHJE-ROMGYVFFSA-N 466.585 4.126 50 10 JIGE C[C@H](Br)CCCNC(=O)c1cc(I)ccc1Br 227723350 RFYWVMJDFQEFGO-QMMMGPOBSA-N 474.962 4.347 50 10 JIGE CN(CCOCc1ccccc1)S(=O)(=O)c1cc(Br)cc(CCl)c1F 383951136 AIGJAHCJVTWAON-UHFFFAOYSA-N 450.757 4.164 50 10 JIGE O=C(c1cc(Br)cc(Br)c1)N1CCS[C@H](CBr)C1 720064339 ONWHAYDECJLWFK-LLVKDONJSA-N 458.013 4.164 50 10 JIGE O=C(NN=Cc1cccc(Cl)c1Cl)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 1083889375 IRSSKKBFMQZQQY-GFCCVEGCSA-N 455.139 4.259 50 10 JIGE N#C/C(=C/c1ccc(Sc2n[nH]c(-c3ccc(Cl)cc3Cl)n2)c([N+](=O)[O-])c1)C(N)=O 1565518812 GOJWXZNRYBTQKD-YHYXMXQVSA-N 461.290 4.230 50 10 JIGE COCCOc1ccc(/C=C(\C#N)C(=O)Nc2nc(C)c(C(=O)OCc3ccccc3)s2)cc1 1866215279 LNSSZUHUOLGAMS-XSFVSMFZSA-N 477.542 4.379 50 10 JIGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)cc1C 1872758387 XVNMGUOVZJQLPC-MNDPQUGUSA-N 490.497 4.433 50 10 JIGE CC(C)(C)OC(=O)N[C@H](CBr)[C@@H]1CN(Cc2ccccc2)[C@@]2(CCCOC2)C1 1885095952 FQUAHQCYMWUUKT-JQVVWYNYSA-N 453.421 4.346 50 10 JIGE Cc1cc(S(=O)(=O)N(C)C[C@H](Br)COCc2ccccc2)sc1Br 1916363363 YYRRPBCMWQYLEZ-AWEZNQCLSA-N 497.274 4.420 50 10 JIGE C[C@@H](Cl)C(=O)Nc1cc(Br)c(I)c(Br)c1 1931646700 DIPSPEWFOVLPNZ-SCSAIBSYSA-N 467.326 4.382 50 10 JIGE C[C@@H](CCCCCI)NS(=O)(=O)[C@H]1C[C@H](OCc2ccccc2)C1 2006096350 DBASIXRPQGFVIC-SZMVWBNQSA-N 465.397 4.038 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CC[C@H]2[C@H](C1)[C@@H]2CCl 2093139766 GTWVVUMJUGXODO-JLLWLGSASA-N 454.533 4.001 50 10 JIGE CC(C)CN(CCBr)S(=O)(=O)c1cc(Br)ccc1Br 2097988000 NIAUOAIIFCOFCV-UHFFFAOYSA-N 478.044 4.253 50 10 JIGE O=C(c1cccc(Br)c1Br)N1C[C@@H]2C[C@H](C[C@@H]2Br)C1 2107285713 ZSIJISSGVSIVAZ-PTRXPTGYSA-N 451.984 4.457 50 10 JIGE C#CC[C@@](C)(CBr)CNC(=O)c1c(Br)cccc1Br 2140718538 OAUMVJLPDKNPCR-AWEZNQCLSA-N 451.984 4.366 50 10 JIGE C[C@H](Br)CN1CCCN(C(=O)c2csc(Br)c2Br)CC1 2176847459 MGVGGTRNYMLRBT-VIFPVBQESA-N 489.071 4.204 50 10 JIGE FC(F)(F)c1cnc(N2C[C@H]3C[C@H](Br)C[C@H]3C2)c(I)c1 2185079970 REZQMBBVGUDRMI-MBTKJCJQSA-N 461.063 4.315 50 10 JIGE COc1cc(I)c(Cl)cc1C(=O)N(C)CC1CC(Br)C1 2196924361 VKERJPWMUZIHEB-UHFFFAOYSA-N 472.548 4.199 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1C[C@H](Br)CCC12CC2 2227504608 GPZCKEIGFNYVFD-SECBINFHSA-N 454.533 4.477 50 10 JIGE N#CC(C(=O)N1CCCCC1)=C1NC(=NC(=O)c2ccc(Cl)cc2Cl)c2ccccc21 2296532753 WZQDWDXXCLKYLO-UHFFFAOYSA-N 453.329 4.431 50 10 JIGE O=C(C=Cc1cccc2ccccc12)NNC(=O)COc1ccc(Br)cc1Cl 2313617317 CYVJKYNPZILFJE-UHFFFAOYSA-N 459.727 4.495 50 10 JIGE CC(C)CC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)C=Cc2cccc3ccccc23)cc1 2313619151 FZPPEJDGIRQBIT-UHFFFAOYSA-N 474.586 4.173 50 10 JIGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)C=Cc2ccccc2OC)cc1 2313741172 VMBPWYUHLIIHOS-UHFFFAOYSA-N 455.580 4.003 50 10 JIGE CCCCCCCOc1ccc(C=C2C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1 2314619798 FNLHKMDWJNJVLV-UHFFFAOYSA-N 482.577 4.208 50 10 JIGE O=C(N[C@@H]1C[C@H](CBr)[C@@H]2C[C@H]12)c1ccc(Cl)cc1I 2340063592 ABRGJKANDVPRLY-XKYKYCOXSA-N 454.533 4.094 50 10 JIGE ClC[C@@H]1C[C@H]2OCC[C@@H]2N1Cc1ccc(I)c(Br)c1 2349837882 XRSMHFLCEVWUDO-LEWSCRJBSA-N 456.549 4.024 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@H]2CC[C@H]1[C@@H](Cl)C2 2349945491 JDKGBWFAYPAZHR-QWRKXWFKSA-N 454.533 4.286 50 10 JIGE Cn1nc(Br)c(Br)c1C(=O)N[C@H]1CCCC[C@@H]1CCBr 2364229622 ZGXJVDZPDDOICI-BDAKNGLRSA-N 472.019 4.019 50 10 JIGE O=C(c1ccc(N2C(=O)CCC2=O)cc1)N(/N=C/c1ccco1)c1nc2ccc(F)cc2s1 9148833 JTUVLYFPURGUCK-DHRITJCHSA-N 462.462 4.363 50 10 JIGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2OCCC)cc1 14037166 HPMKSPRARCLANG-UHFFFAOYSA-N 457.596 4.384 50 10 JIGE Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)oc2c1/C(=N/NC(=O)c1ccc(F)cc1)CCC2 40811868 SWXXDWNNAPTESE-MWAVMZGNSA-N 492.526 4.299 50 10 JIGE COc1ccc(CNC(=O)/C(C#N)=C\c2c(Oc3ccc(F)cc3)nc3c(C)cccn3c2=O)cc1 102683718 PZRZNAZLYDENRH-RGEXLXHISA-N 484.487 4.166 50 10 JIGE COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 206394556 MXSWUKPUTQXXED-NDENLUEZSA-N 457.442 4.046 50 10 JIGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCOC)C(=O)C(C#N)=C2C)c(C)c1 214284146 XSCHUKOCGMCRBM-XYGWBWBKSA-N 496.567 4.485 50 10 JIGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2ccccc2C(F)(F)F)sc2c1CC[C@@H](C)C2 254497425 HRQZTLXBMMDPFX-GFCCVEGCSA-N 481.496 4.157 50 10 JIGE CCN(CC)c1ccc(C=NNC(=O)CSc2cc(C)nc3c(OC)cccc23)c(O)c1 254513131 HTHQMPOMGPONSI-UHFFFAOYSA-N 452.580 4.346 50 10 JIGE COc1ccc(/C=C\C(=O)Oc2ccc(C=NNC(=O)COc3cc(C)ccc3C)cc2)cc1 263630987 SOAMXKDVCMXNBE-ZYGPQASMSA-N 458.514 4.460 50 10 JIGE CC(C)(C)[C@@H](Br)CNS(=O)(=O)c1cc(Br)ccc1Br 324352084 PEZQRYPZZRGOEQ-NSHDSACASA-N 478.044 4.300 50 10 JIGE O=C(NCCC1(CBr)CC1)c1ccc(I)c(Br)c1 721576675 HHEDRDNBLTZESU-UHFFFAOYSA-N 486.973 4.349 50 10 JIGE O=C(NCc1cccc(OCC(F)F)c1)NNC(=O)c1ccccc1OCc1ccc(F)cc1 726713701 GHBBXTUTSGYTGZ-UHFFFAOYSA-N 473.451 4.193 50 10 JIGE Cc1onc(-c2ccc(F)cc2)c1C(=O)NNc1ccc(S(=O)(=O)Nc2ccccc2)cc1 728217729 NYPBSDQEEDRIKB-UHFFFAOYSA-N 466.494 4.347 50 10 JIGE CCCCCn1nc(C(=O)NNC(=O)[C@H]2C[C@H]2c2cccc3ccccc23)c2ccccc2c1=O 730767623 DMZKXBJJLNCDFO-ZEQRLZLVSA-N 468.557 4.305 50 10 JIGE N#CCCn1cc(/C=C(/C#N)C(=O)N2CCC(C(=O)c3ccccc3)CC2)c(-c2ccccc2)n1 914467353 CKYNZQJNTFIPLS-MOHJPFBDSA-N 463.541 4.492 50 10 JIGE O=C(CSc1nnc(CNc2ccccc2)n1-c1ccccc1)NN=Cc1ccccc1[N+](=O)[O-] 1084197620 GKWIRMOOIIWNOY-UHFFFAOYSA-N 487.545 4.030 50 10 JIGE COc1ccc(C)cc1NC(=O)C(=O)NN=Cc1cc(C)n(-c2cccc(Br)c2)c1C 1084647576 JVXFINVYAHEWJQ-UHFFFAOYSA-N 483.366 4.262 50 10 JIGE 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 1084657126 BDSYKGHYMJNPAB-ORVWZROTSA-N 484.967 4.051 50 10 JIGE COc1ccc([C@@H]2[C@H](C(=O)N3CC=C(C#N)CC3)CCC(=O)N2c2ccc(C)cc2)cc1OC 1466140856 GZMMFNKSTYGQKC-ATIYNZHBSA-N 459.546 4.179 50 10 JIGE C#CCn1cc(CNC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cn1 1556465455 IMNYQPCKNHOIQQ-VXLYETTFSA-N 452.345 4.454 50 10 JIGE CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3CC(C)C)cc1OC 1865697517 VDFAZLCZUMKSGC-SFHVURJKSA-N 461.360 4.236 50 10 JIGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@@H](c2ccc(O)c([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865715053 UMSHWKSXBZHEID-QHCPKHFHSA-N 495.495 4.439 50 10 JIGE CCCC[C@@H](NC(=O)CCS(=O)(=O)c1cccc(Cl)c1)C(=O)Nc1ccc(SC#N)cc1 1866886551 QAOFLZASNCMMRU-HXUWFJFHSA-N 494.038 4.391 50 10 JIGE COc1ccc(-c2csc(/C(C#N)=C(\O)CNC(=O)c3ccccc3)n2)c(OC)c1OC 1872759414 NTMKNARRNVOQST-VLGSPTGOSA-N 451.504 4.059 50 10 JIGE O=C(N[C@H](CBr)C[C@H]1CCOC1)c1cc(Br)sc1Br 1883291581 GIDOFPBASRIUHL-SFYZADRCSA-N 476.028 4.193 50 10 JIGE O=S(=O)(c1ccc(F)cc1Br)N(CCBr)Cc1ccccc1 1932498023 FZFCXBKIPSEOGL-UHFFFAOYSA-N 451.155 4.174 50 10 JIGE O=C(c1sccc1I)N(CCBr)Cc1ccsc1 2051447778 YWRWVSQZTICKCR-UHFFFAOYSA-N 456.168 4.452 50 10 JIGE CCOC(=O)Cc1c(CBr)ccc(I)c1C(F)(F)F 2055272344 IZHZDVHBDAUUBX-UHFFFAOYSA-N 451.020 4.311 50 10 JIGE Cc1cc(F)ncc1-n1nc(CBr)c(I)c1C(F)(F)F 2078933420 PRMVCNUFZDGRFQ-UHFFFAOYSA-N 463.998 4.233 50 10 JIGE BrC[C@@H]1CO[C@@H]2CN(Cc3c(Br)cccc3Br)C[C@H]12 2121594686 URCMZECVNJKADT-GPCCPHFNSA-N 454.000 4.053 50 10 JIGE CN(Cc1ccccc1)C1CCN(S(=O)(=O)c2ccc(Br)c(CCl)c2)CC1 2144830342 INVCIOZABLAADX-UHFFFAOYSA-N 471.848 4.473 50 10 JIGE CC1(C)CN(C(=O)c2cccc(Br)c2Br)C[C@H](CBr)O1 2148771818 VNUOECLUOAJGMS-VIFPVBQESA-N 469.999 4.226 50 10 JIGE Cc1cccc(C(=O)N2CCC([C@H](F)CBr)CC2)c1I 2163247734 YQRVGTYVAIEHRC-CYBMUJFWSA-N 454.121 4.185 50 10 JIGE Cc1sc(CBr)cc1S(=O)(=O)N1CCN(Cc2ccccc2)CC(C)(C)C1 2179817748 RKNMCVFBNDXXFN-UHFFFAOYSA-N 471.486 4.484 50 10 JIGE Cc1cc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)N3Cc2ccccc2)sc1CBr 2179822037 RDZKAEYMLWAPHE-MSOLQXFVSA-N 469.470 4.379 50 10 JIGE O=C(N[C@@H](CBr)C[C@H]1CCOC1)c1c(Br)cccc1Br 2195496001 QJSSWPPPVDYAIV-NXEZZACHSA-N 469.999 4.132 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@H](Cl)CCC12CC2 2227496196 QIJAXPHDHKHRQK-SNVBAGLBSA-N 454.533 4.430 50 10 JIGE C[C@]1(CCl)C=CCCN1C(=O)c1ccc(Br)cc1I 2264392436 MBJFHQZNNKGWBA-CQSZACIVSA-N 454.533 4.453 50 10 JIGE CCN(C[C@](C)(CI)OC[C@]12C[C@](C(F)F)(CO1)C2)C(=O)OC(C)(C)C 2266241474 VEJKZCONGXPIKS-BZSNNMDCSA-N 489.341 4.268 50 10 JIGE O=C(N[C@@H]1CC[C@@H]2C[C@]21CBr)c1ccc(Cl)c(I)c1 2268342322 SKGFLUBZSXOHQU-IUPBHXKESA-N 454.533 4.238 50 10 JIGE BrC[C@@]12CCO[C@H]1CN(Cc1cc(Br)ccc1Br)C2 2278944120 IMULOVPNDFICMT-UONOGXRCSA-N 454.000 4.197 50 10 JIGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(Br)cc2)c(OCC)c1 2314735949 LNANXIPTFMRINO-UHFFFAOYSA-N 474.307 4.302 50 10 JIGE COc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccccc1Cl 2314737438 KOSQDLCLFSNCDY-UHFFFAOYSA-N 466.877 4.149 50 10 JIGE N#CC(=Cc1cccc(OC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1)c1ccccc1F 2320511389 SHLZYRLXZKODMF-UHFFFAOYSA-N 492.528 4.130 50 10 JIGE CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccc(OC(=O)c2ccccc2)cc1 2328822756 PYSBTPNUXIKANA-NRFANRHFSA-N 453.539 4.295 50 10 JIGE O=C(c1ccc(Br)cc1I)N1[C@H]2CC[C@H](C2)[C@@H]1CCl 2333350381 UALPBHXPEJYDEO-DVYJOKAKSA-N 454.533 4.286 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1C[C@@H](Br)[C@@H](C2CC2)C1 2340061883 SJPNXLMJYAFFGU-VXGBXAGGSA-N 454.533 4.190 50 10 JIGE COc1ccc(C=NNC(=O)c2ccc(C)cc2)cc1CN1CCN(c2ccc(F)cc2)CC1 8666269 DKPDNSJTWRCDCW-UHFFFAOYSA-N 460.553 4.229 50 10 JIGE CCCCOc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)C(C)C)cc2)cc1Br 14041300 KHOLHEBFWJPKLO-UHFFFAOYSA-N 476.371 4.297 50 10 JIGE Cc1cc(C)cc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)NCc2ccco2)c1 33689570 PVDIMPNXFAQDJT-UYRXBGFRSA-N 454.486 4.228 50 10 JIGE COc1ccccc1NC(=O)/C(C#N)=C\c1c(Oc2ccccc2)nc2c(C)cccn2c1=O 39858506 NQWKTSPCLBXLGI-SDXDJHTJSA-N 452.470 4.350 50 10 JIGE COc1ccc(OC)c(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc([N+](=O)[O-])cc2)CCC3)c1 40812159 IMGOPAJZSVCLJC-OVVQPSECSA-N 492.488 4.236 50 10 JIGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(C)cc1 40929206 KCZNDBMQNIEMOJ-DEDYPNTBSA-N 460.486 4.195 50 10 JIGE Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1/C=N/NC(=O)c1ccc(Cl)cc1Cl 59148785 UAHGSDWTTBDYFK-LSFURLLWSA-N 477.264 4.376 50 10 JIGE CCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc3cc(C(=O)NCC(C)C)c(=O)oc3c2)cc1OC 206543390 QWEPUHURFNCLNV-GRSHGNNSSA-N 490.512 4.099 50 10 JIGE O=S(=O)(NC[C@@H]1CCC[C@@H](Br)C1)c1cc(Br)ccc1Br 227805249 OGMYPZWDTSUOOM-NXEZZACHSA-N 490.055 4.444 50 10 JIGE CCN(CC)S(=O)(=O)c1ccc(-c2ccc(C=NNC(=O)c3ccccc3Cl)o2)cc1 254567380 SSETXLQZJSKJBW-UHFFFAOYSA-N 459.955 4.394 50 10 JIGE COc1cc(C=NNC(=O)CNc2cccc3ccccc23)ccc1OC(=O)c1ccc2c(c1)OCO2 254704339 IBCONGUGXXUDBC-UHFFFAOYSA-N 497.507 4.359 50 10 JIGE CC(=NNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccncc1 254749970 VKHPKIUTQSUTOE-UHFFFAOYSA-N 463.346 4.343 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2CCC[C@@H]2CCBr)cc1Br 380115342 JOLJFTKIXGZHJH-SNVBAGLBSA-N 490.055 4.458 50 10 JIGE O=C(N[C@@H](CCl)CC(F)(F)F)c1cc(Br)ccc1I 717744620 HUXAGENBMLZQBE-SSDOTTSWSA-N 470.454 4.343 50 10 JIGE Cc1cc(/C=C(/C#N)C(=O)NCC(=O)Nc2ccc(-n3cccn3)cc2)c(C)n1-c1ccc(F)cc1 725759752 FOIIHTKFJCLOKO-QNGOZBTKSA-N 482.519 4.081 50 10 JIGE CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cn2)cc1 726171016 VWFOCPXCFJEIAL-SILNSSARSA-N 477.565 4.083 50 10 JIGE Cc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)NC3CCN(C(=O)CC(F)(F)F)CC3)c2C)c1 726948396 MTMIJDTXDLFLHA-MOSHPQCFSA-N 472.511 4.369 50 10 JIGE Cc1nn(CC(C)C)c(C)c1CCC(=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1 730609383 DPPIPQWENTWMQN-UHFFFAOYSA-N 466.557 4.268 50 10 JIGE O=C(NN=Cc1ccccc1OCc1ccccc1)C(=O)Nc1cccc(Br)c1 1083976959 IVXSPIZGPCHOOX-UHFFFAOYSA-N 452.308 4.117 50 10 JIGE COc1ccc(CC(=O)Nc2ccccc2C(=O)NN=Cc2ccccc2Br)cc1 1084080113 PHCCNQVDFMEYRU-UHFFFAOYSA-N 466.335 4.403 50 10 JIGE CC(CCc1ccccc1)=NNC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccccc1 1084587435 LPZOBOSCVNXZNA-UHFFFAOYSA-N 463.603 4.045 50 10 JIGE CC(C)CCOc1ccc(C(=O)NNC(=O)c2cc3c(C(F)(F)F)cc(O)nc3o2)cc1 1115831014 BYVJDXMWPDLUJO-UHFFFAOYSA-N 451.401 4.052 50 10 JIGE C#Cc1cccc(NC(=S)NNC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)c1 1455417354 OGECZKKKLDNUHX-UHFFFAOYSA-N 457.584 4.273 50 10 JIGE CCOC(=O)c1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2O)CCC3)cc1 1772751515 DYNYHBWRDXGBBH-UHFFFAOYSA-N 475.501 4.193 50 10 JIGE Cc1cc(=O)oc2cc(OCC(=O)N/N=C/c3cccc(OCc4ccc(F)cc4)c3)ccc12 1873792429 CKHFNWSQGQNRRO-CCVNUDIWSA-N 460.461 4.349 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCNC1CCN(C(=O)OCc2ccccc2)CC1 1885647551 XVFUOHRWQLOWSY-UHFFFAOYSA-N 469.673 4.283 50 10 JIGE CN(C[C@H]1C[C@H](Br)C1)[C@H](CN)c1cc(Br)cc(Br)c1 1887893429 QIMQKZIGISPAOW-GLXFQSAKSA-N 455.032 4.317 50 10 JIGE O=C(NC[C@H](Br)CBr)c1scc(Br)c1Br 1961824104 PVNLMSLPWNBDCJ-SCSAIBSYSA-N 484.833 4.161 50 10 JIGE CN(CCN(Cc1ccccc1)S(=O)(=O)c1ccc(CBr)cn1)Cc1ccccc1 1984645034 JWGDHQSGZJYMAB-UHFFFAOYSA-N 488.451 4.299 50 10 JIGE C[C@@H](NCCSSCCNC(=O)OC(C)(C)C)[C@@H]1[C@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 1985350505 REMJACVDPUUXEQ-YYIAUSFCSA-N 461.694 4.126 50 10 JIGE O=C(c1scc(Br)c1Br)N1CCC(I)CC1 1992346567 KINCLNIJPDXQKP-UHFFFAOYSA-N 478.975 4.313 50 10 JIGE O=C(NC[C@H](Br)C1CCC1)c1ccc(Br)cc1I 2086151970 VJQBBBYSNXVNII-NSHDSACASA-N 486.973 4.347 50 10 JIGE O=C(N[C@@H]1C[C@H](CBr)[C@@H]2C[C@@H]12)c1cc(Br)cc(Br)c1 2110547625 BUXKASFAYLEXOU-GHORINQJSA-N 451.984 4.361 50 10 JIGE C[C@H]1[C@H](C)N(S(=O)(=O)c2ccsc2CBr)C[C@@H](C)N1Cc1ccccc1 2123282343 ADBUAJUOEOATCK-PMPSAXMXSA-N 457.459 4.315 50 10 JIGE CC(C)[C@@H]1[C@@H](Br)CCN1S(=O)(=O)c1cc(Br)ccc1Br 2182499324 XAJYIHJZZVOUBS-WCQYABFASA-N 490.055 4.394 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1CC[C@@H](Br)[C@@H]1C1CC1 2268350410 SHKMMOTYPYHMNQ-MFKMUULPSA-N 454.533 4.333 50 10 JIGE CCOC(=O)C(C#N)=C1S[C@@H](Cc2ccccc2)C(=O)N1c1ccc(Br)cc1 2293039278 WZJWIBPKBYFVKB-SFHVURJKSA-N 457.349 4.438 50 10 JIGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(Br)c(C)c2)c(OC)c1 2314717142 OVXUHWFLGJAZAA-UHFFFAOYSA-N 474.307 4.221 50 10 JIGE COc1ccc(OCCCC(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2)cc1 2314760716 ZAFGRQAKQXUJJR-UHFFFAOYSA-N 460.486 4.276 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1C[C@@H](CBr)C2(CC2)C1 2340057461 MKZUJAQUHCLYDT-SECBINFHSA-N 454.533 4.192 50 10 JIGE CCN(C[C@@](C)(CI)OCc1ccc2nccn2c1)C(=O)OC(C)(C)C 2343488482 HKZNJAHDAFMNMT-LJQANCHMSA-N 473.355 4.302 50 10 JIGE Cl[C@@H]1C[C@@H]2OCCN(Cc3ccc(I)c(Br)c3)[C@H]2C1 2349850602 AYDSBRPGZBWTKQ-BPNCWPANSA-N 456.549 4.024 50 10 JIGE Cn1nc(Br)c(Br)c1C(=O)N1CCCC[C@H]1CCCBr 2364228953 SZTAISRJHFSPOH-VIFPVBQESA-N 472.019 4.115 50 10 JIGE Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)c1 12578223 LYGIPTFKPIZBQA-UHFFFAOYSA-N 466.365 4.336 50 10 JIGE CCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccccc1[C@@H](C)CC 14036123 WXUCXFYGZWCYPM-SFHVURJKSA-N 471.623 4.484 50 10 JIGE CCCCCCOc1ccc(C(=O)NNC(=O)COc2ccccc2OC)cc1Br 14640747 LITFOGQIGYOWOF-UHFFFAOYSA-N 479.371 4.257 50 10 JIGE Cc1cc(NCC(=O)N/N=C/c2c(O)ccc3ccccc23)ccc1I 20352489 HKFDCGHJACKKBD-FOKLQQMPSA-N 459.287 4.021 50 10 JIGE CCOC(=O)c1c(NC(=O)[C@@]23CC[C@@](C)(C(=O)[C@@H]2Br)C3(C)C)sc2c1CCN(C)C2 35548741 HXMNCPYAZZQFQW-UZQPLGKSSA-N 497.455 4.010 50 10 JIGE COc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cc(OC)ccc2OC)c1 38659714 PBIIQKSQINXGRL-XMMPIXPASA-N 458.470 4.150 50 10 JIGE CCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C(C#N)=C/c2ccccc2OCCC)c(OC)c1 40949068 WBECAAXGSCLKHH-KTWAZNHYSA-N 473.529 4.430 50 10 JIGE Cc1cc2ncn(CC(=O)N/N=C3/C(=O)N(Cc4ccccc4Cl)c4ccccc43)c2cc1C 59147501 JGFQZKPWDNJRKO-QCWLDUFUSA-N 471.948 4.374 50 10 JIGE O=S(=O)(NC[C@@H]1CCCC[C@H]1Br)c1cc(Br)ccc1Br 136978586 MVZQEHONVOGNGH-GXSJLCMTSA-N 490.055 4.444 50 10 JIGE O=C(NN=Cc1ccncc1)c1cc2n(n1)[C@H](C(F)(F)C(F)(F)F)C[C@H](c1ccc(F)cc1)N2 254837606 HZYKHPFSSQRAPV-WBVHZDCISA-N 482.388 4.477 50 10 JIGE Cn1ncc([C@H](Br)c2cc3c(cc2Br)OCC3)c1Br 308409766 CBRZRTBCXDHEKA-GFCCVEGCSA-N 450.956 4.364 50 10 JIGE CCO/C(O)=C(\C#N)[C@H](c1ccc([N+](=O)[O-])cc1)[C@H](C(=O)Nc1ccccc1)[n+]1ccccc1 585145749 CANNDDXDOICCNG-HUMKFQICSA-O 459.482 4.176 50 10 JIGE O=C(NCC1(CBr)CCOCC1)c1cc(Br)c(Br)s1 700894869 UOTVNURKWSTJGK-UHFFFAOYSA-N 476.028 4.195 50 10 JIGE CC(C)[C@@H](Br)CNC(=O)c1ccc(I)c(Br)c1 721607542 ZLLYGYSHDSCLID-JTQLQIEISA-N 474.962 4.203 50 10 JIGE C=C(Cl)CSc1nc(C)c(CC(=O)NNc2ncccc2C(=O)OC(C)(C)C)s1 1170799369 KISPJZUFONSBSU-UHFFFAOYSA-N 455.005 4.332 50 10 JIGE C=CCc1cc(C(=O)NNc2cc(C(F)(F)F)nc(-c3cccnc3)n2)cc(OC)c1OC 1472512696 DNGYGYCGEAACKS-UHFFFAOYSA-N 459.428 4.060 50 10 JIGE CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccn2)cc1OC 1865697015 NGELBIHLJXZLPK-LJQANCHMSA-N 496.365 4.218 50 10 JIGE COc1cccc(/C=N/NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)c1OCc1ccc(F)cc1 1873795164 UTRGIBPUFGEFSH-IYAOEYEUSA-N 471.529 4.263 50 10 JIGE Brc1cc(C[C@H]2CCOC[C@@H]2Br)ccc1I 1904328563 FNCSWIOMIAULHY-KOLCDFICSA-N 459.947 4.396 50 10 JIGE Cc1cccc(C(=O)N(C)C[C@H](Cl)COCc2ccccc2)c1I 1916355493 VFDPWCFVVSRURY-INIZCTEOSA-N 457.739 4.496 50 10 JIGE CC(C)[C@@H](CI)NC(=O)c1cccc(Br)c1Br 1943884604 ASOXPWVRQOIPNN-SNVBAGLBSA-N 474.962 4.401 50 10 JIGE C[C@@H](Br)CN(Cc1ccccc1)S(=O)(=O)[C@H]1C[C@H](OCc2ccccc2)C1 1954527320 VJOYBKUTHWOBNH-DUXKGJEZSA-N 452.414 4.350 50 10 JIGE CCN1CC[C@H]([C@@H](Br)c2cccc(Br)c2Br)S1(=O)=O 2092335635 PCUNAULQQWPKBS-PWSUYJOCSA-N 476.028 4.072 50 10 JIGE CN(Cc1ccccc1)[C@@H]1CCN(S(=O)(=O)c2ccc(CCl)c(Br)c2)C1 2095824427 YBLSVMPAAMFKAK-QGZVFWFLSA-N 457.821 4.083 50 10 JIGE O=C(N[C@H](CBr)[C@H]1CC=CCC1)c1cc(I)ccc1F 2196155772 KVVZBVMKWGNJJK-IINYFYTJSA-N 452.105 4.280 50 10 JIGE BrC[C@]12COC[C@@H]1CN(Cc1cc(Br)ccc1Br)C2 2226166048 FAKUVKDHPHFKNH-FZMZJTMJSA-N 454.000 4.055 50 10 JIGE Cn1ncc([C@@H](Br)c2ccc([C@H]3CCOC3)s2)c1I 2231746648 QKBVSPHZVWKASR-QPUJVOFHSA-N 453.143 4.074 50 10 JIGE O=C(N[C@@H]1C[C@@H](CBr)[C@H]2C[C@H]21)c1scc(Br)c1Br 2309226092 PPHNNCPUTCSBEU-YYWONIAYSA-N 458.013 4.422 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCNc1ncc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2317223946 IVHWMBJRBWIYFB-UHFFFAOYSA-N 489.900 4.352 50 10 JIGE CCOc1cc(C=NNC(=O)Cc2cc(Cl)ccc2SC)cc([N+](=O)[O-])c1OCC 2323686536 LIELBRCEGQFFIL-UHFFFAOYSA-N 451.932 4.460 50 10 JIGE Brc1cc(C[C@@H]2CN(C3CC3)C[C@@H]2Br)ccc1I 2325227348 ZEIPTJRWTUOGPF-MFKMUULPSA-N 485.001 4.454 50 10 JIGE COC(=O)c1c(NC(=O)c2ccc3c(c2)C(=O)N(C(C)C)C3=O)sc(C(C)=CC#N)c1C 2331557526 GRGPDAXWNWYBKN-UHFFFAOYSA-N 451.504 4.027 50 10 JIGE O=C(NNC(=S)NC(=O)c1cc(Cl)cc(Cl)c1)c1ccc(NC(=O)c2ccccc2)cc1 10506079 LBJSYKVSHFNKEN-UHFFFAOYSA-N 487.368 4.195 50 10 JIGE COc1ccc(Cl)cc1C(=O)Nc1ccccc1C(=O)N/N=C/c1cccc2c1OCO2 20258468 SSKNUXJGANCLSJ-BRJLIKDPSA-N 451.866 4.094 50 10 JIGE N#C/C(=C/c1c(Oc2ccc(Br)cc2)nc2ccccn2c1=O)C(=O)NC1CCCC1 33722720 MMCQMQGMVGIVLE-SQFISAMPSA-N 479.334 4.215 50 10 JIGE COc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)NC4CC(C)(C)NC(C)(C)C4)c(C)c32)cc1 40813898 RKDFHXHCUIYKCO-ZTKZIYFRSA-N 480.609 4.106 50 10 JIGE CCCCOc1ccc(CCC(=O)Oc2ccc(/C=C(/C#N)C(N)=O)cc2OC)cc1OCC 207297212 CXPHUMMIPFGYJR-ZHZULCJRSA-N 466.534 4.203 50 10 JIGE CC(CC(=O)NC12CC3CC(CC(C3)C1)C2)=NNC(=O)COc1ccc(Br)c(C)c1 252595863 CEOIXUHOLHIGAV-UHFFFAOYSA-N 476.415 4.104 50 10 JIGE COc1ccc(C(=O)Oc2cccc(C=NNC(=O)C(O)(c3ccccc3)c3ccccc3)c2)cc1 252596249 CHOBGCKJOLYGSL-UHFFFAOYSA-N 480.520 4.301 50 10 JIGE Cc1cc(C(=O)O)ccc1-c1ccc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)o1 254475876 VZGNRBIHXVCINO-UHFFFAOYSA-N 454.482 4.339 50 10 JIGE COc1ccc(-n2c(SCC(=O)NN=Cc3cccc(O)c3)nnc2-c2ccc(C)cc2)cc1 254712130 AMQLHKGUCSUSNU-UHFFFAOYSA-N 473.558 4.199 50 10 JIGE N#CCOc1ccc(C=NNC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 263631083 XVGBPXWBAKQFPI-AREMUKBSSA-N 470.554 4.127 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N(C[C@@H](C)Br)C2CC2)cc1Br 691364309 FOHDMRLSMZRIGL-SECBINFHSA-N 490.055 4.457 50 10 JIGE CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)NNC(=O)COc1cc(C)ccc1C(C)C)O[C@@H](C)C2 730468633 CSKVKMOFMRGHBK-RBDMOPTHSA-N 466.578 4.170 50 10 JIGE C=CCNC(=O)NNC(=O)c1ccc(COc2c(Br)cc(C)cc2Br)cc1 915882377 NAZUZPZCBMFTNJ-UHFFFAOYSA-N 497.187 4.229 50 10 JIGE CC(=O)c1ccc(S(=O)(=O)NC(=O)/C(C#N)=C/c2cc(C)n(C3CCCCC3)c2C)cc1 916762064 ZBZVHEWDIWNDFC-KGENOOAVSA-N 453.564 4.225 50 10 JIGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(-c3cc(C(=O)O)ccc3C)o2)cc1 1084075054 SBWNYFKJZZTUFN-JOCHJYFZSA-N 450.491 4.316 50 10 JIGE C=CCN(c1ccc(C(=O)NN=Cc2ccccc2Cl)cc1)S(=O)(=O)c1ccccc1 1084199975 HJZNPGSRVSURPT-UHFFFAOYSA-N 453.951 4.485 50 10 JIGE N#Cc1ccccc1OCC(=O)NN=C1C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21 1084244233 SZMUGYCCEOZIBC-UHFFFAOYSA-N 479.323 4.311 50 10 JIGE O=C(COc1ccccc1)NN=C1C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21 1084390773 ZQQIFPPYJAYYHL-UHFFFAOYSA-N 482.309 4.034 50 10 JIGE COc1cc(C=NNC(=O)C(=O)Nc2ccccc2Cl)ccc1OCc1ccc(F)cc1 1084425734 NJCHTRMPINYDFC-UHFFFAOYSA-N 455.873 4.156 50 10 JIGE C/C(=C\C(=O)NNC(=O)CCCCCNC(=O)OC(C)(C)C)c1ccc(C(F)(F)F)cc1 1633085898 SOFYPGUYUASGAZ-CCEZHUSRSA-N 457.493 4.341 50 10 JIGE Cc1c(C(=O)NCCc2cccs2)oc2c1C(=NNC(=O)c1cccc([N+](=O)[O-])c1)CCC2 1772745799 HRXGGDIUSBODPC-UHFFFAOYSA-N 466.519 4.001 50 10 JIGE COc1cccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc([N+](=O)[O-])c2)CCC3)c1 1772746271 TZTOMNHXHARPTQ-UHFFFAOYSA-N 462.462 4.228 50 10 JIGE CCN(CC)Cc1ccc(/C=N/NC(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)cc1 1860772647 CYZSDBHHZNKWEL-IPPBACCNSA-N 487.629 4.426 50 10 JIGE CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC)cc1OC 1865696347 DTLFJPZEBFEUIC-ZDUSSCGKSA-N 487.276 4.310 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Br)cc2)[C@H]1c1ccncc1 1865699862 FAUCERDSSLPQFW-AWEZNQCLSA-N 462.229 4.267 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(F)c2)[C@H]1c1ccc(C(=O)O)cc1 1865708986 KQHJMCWBRNGSBA-INIZCTEOSA-N 458.371 4.006 50 10 JIGE N#C/C(=C\c1ccc(Br)cc1)C(=O)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 1866368032 SXYFMLDRQCJVDH-JRXNCPAPSA-N 450.380 4.481 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CC=CC[C@@H]1CBr 2056311932 GYGYPURFBAUUQT-SNVBAGLBSA-N 484.957 4.219 50 10 JIGE ClCc1cc(Br)c(I)c(I)c1 2059980300 HHQHBBAVZVRCRT-UHFFFAOYSA-N 457.274 4.397 50 10 JIGE CCN(CC)S(=O)(=O)C[C@H](Br)c1cc(Cl)ccc1I 2089399384 BMMGAQUUNUWPKV-NSHDSACASA-N 480.593 4.052 50 10 JIGE O=C(c1cc(Br)ccc1Br)N1C[C@H](C2CC2)[C@@H](Br)C1 2090684953 MBZPXDHIZMEKLC-YPMHNXCESA-N 451.984 4.457 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@H]2C[C@H]1CC[C@@H]2Br 2144894115 PMXCXQCDESODQB-IEBDPFPHSA-N 488.039 4.148 50 10 JIGE C[C@@H]1CCN(S(=O)(=O)c2ccc(CBr)cc2F)CCN1Cc1ccccc1 2179788465 CHPVIMNZODJFHR-MRXNPFEDSA-N 455.393 4.006 50 10 JIGE C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2cc(CBr)ccc2F)CN1Cc1ccccc1 2179790747 ILQRQNVKCFHCLJ-CRAIPNDOSA-N 455.393 4.004 50 10 JIGE COCC(CCO[C@@H](CI)c1cccc(Br)c1)COC 2187430365 LAHWURCZUUTGCR-HNNXBMFYSA-N 457.146 4.241 50 10 JIGE Cc1sc(C)c(S(=O)(=O)N[C@@H]([C@@H](C)Br)C(F)(F)F)c1Br 2195324038 UXYKDFCEPDLCQQ-MOFOKWOHSA-N 459.147 4.120 50 10 JIGE CC1(C)OCCN(C(=O)c2cc(Br)cc(Br)c2)[C@@H]1CBr 2282799859 NIUUOIHQGRLWHJ-GFCCVEGCSA-N 469.999 4.226 50 10 JIGE O=C(c1cc(Br)c(Br)s1)N1CC[C@H]2[C@H](CBr)[C@H]2C1 2311905431 AJYFVVMLGGBTGV-FXQIFTODSA-N 458.013 4.376 50 10 JIGE COc1ccc(C=NNC(=O)CCc2nc3ccccc3[nH]c2=O)cc1OCc1ccc(Cl)cc1 2321685098 CTJSKZCJUYQMNJ-UHFFFAOYSA-N 490.947 4.247 50 10 JIGE O=C(c1cc(Br)ccc1I)N1[C@H]2CC[C@@H]1[C@@H](CCl)C2 2329072069 VTXXXULPAHFIJO-DFAYQTQMSA-N 454.533 4.286 50 10 JIGE C=CC[C@@H](Cl)[C@@H]1CCN1C(=O)c1ccc(I)c(Br)c1 2335814508 OZFMYIWHMHBQTL-YPMHNXCESA-N 454.533 4.452 50 10 JIGE O=C(NC[C@]1(F)C[C@H](CBr)C1)c1ccc(Cl)cc1I 2340069194 WKVBPGDSMLEITA-XCSCGOTBSA-N 460.512 4.188 50 10 JIGE CC[C@]1(CBr)COCCN1Cc1cc(I)ccc1Cl 2352426214 QMSYTMDGKCTGIG-AWEZNQCLSA-N 458.565 4.321 50 10 JIGE CC(C)(C)OC(=O)N1CCCN([S@](C)(=O)=NC[C@@](C)(CBr)C(C)(C)C)CC1 2380204629 AXLYGJLNZMFMLC-XHCCPWGMSA-N 468.502 4.389 50 10 JIGE COc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccccc3F)nc3c(C)cccn3c2=O)cc1 2410533 KDLSRSJJAQQAKG-VKAVYKQESA-N 470.460 4.489 50 10 JIGE CCc1cc2c3c(c1)[C@]1(C(=O)N3C(C)(C)C=C2C)C(C#N)=C(N)N2C(=C1C#N)Nc1ccccc12 22568056 HOAGTQZAWZLFQI-NDEPHWFRSA-N 460.541 4.404 50 10 JIGE COc1cccc2cc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)C(=O)NC[C@H]3CCCO3)oc12 33515838 HPQKFEMCCZAINZ-OOIVEFLKSA-N 468.513 4.496 50 10 JIGE COc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C(/C#N)C(=O)Nc1ccc(C)cc1 33606313 TUULXCODQDSUKU-SDXDJHTJSA-N 452.470 4.350 50 10 JIGE CCN(c1ncnc(NNC(=O)c2ccccc2[N+](=O)[O-])c1[N+](=O)[O-])c1cccc2ccccc12 40589268 PVNDGHGCXCWRIR-UHFFFAOYSA-N 473.449 4.361 50 10 JIGE C[C@H](Sc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)C(=O)NNC(=O)C1CCC1 59883373 WQOWTGUPJFYDRY-AWEZNQCLSA-N 455.971 4.016 50 10 JIGE CC(C)C[C@@H](CBr)NS(=O)(=O)c1cc(Br)ccc1Br 136938479 OJJPYWBKCNLDRQ-JTQLQIEISA-N 478.044 4.300 50 10 JIGE CCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C(C#N)=C\c2ccccc2OCCC)c(OC)c1 206990865 WBECAAXGSCLKHH-WPCKRRSASA-N 473.529 4.430 50 10 JIGE COc1ccc(-c2cc(C(=O)NN=Cc3cccc(OCc4ccccc4)c3)[nH]n2)cc1OC 254380022 CYNGHZOEJAJONN-UHFFFAOYSA-N 456.502 4.437 50 10 JIGE O=C(NN=Cc1ccc(OC(=O)c2cccc3ccccc23)cc1)C(=O)Nc1ccc(F)cc1 254440384 DYCKPFUFXLAOHG-UHFFFAOYSA-N 455.445 4.287 50 10 JIGE COc1cc(C=NNC(=O)CSc2nnc(SCc3ccccc3)s2)cc(OC)c1OC 254902497 QZMBWMNRIPZYGG-UHFFFAOYSA-N 490.632 4.099 50 10 JIGE CN1C[C@@H](CI)[C@@H](c2cc(Cl)ccc2I)C1 382719472 MOSXGIPHHIGXCT-KCJUWKMLSA-N 461.512 4.025 50 10 JIGE FC(F)(F)Oc1ncc(I)c(CBr)c1Br 396178594 JDUIFCMQCDRDJV-UHFFFAOYSA-N 460.813 4.242 50 10 JIGE O=S1(=O)CCC[C@@H]1COc1c(Br)cc(CBr)cc1Br 694414741 CAKGOIVCYWOSEJ-SECBINFHSA-N 477.012 4.063 50 10 JIGE BrCc1cc(Br)c(OC[C@@H]2C[C@@H]3COC[C@@H]3O2)c(Br)c1 724603782 IWMSBSRNQTVGRO-NRUUGDAUSA-N 470.983 4.289 50 10 JIGE CC(C)(C)OC(=O)N1C(C)(C)CC2(CC(=O)O[C@@H]2CI)CC1(C)C 725243763 GXHDRWOQPXYVSI-GFCCVEGCSA-N 451.345 4.311 50 10 JIGE N#CCCn1cc(/C=C(\C#N)C(=O)N2CCO[C@@H](c3cccc(F)c3)C2)c(-c2ccccc2)n1 727394236 CVHGVWDBPBEGHZ-JRXNCPAPSA-N 455.493 4.110 50 10 JIGE O=C(NN=C1C(=O)N(Cc2cccc3ccccc23)c2ccccc21)c1ccc([N+](=O)[O-])cc1 1084216090 NHYIWDQGZIVLCP-UHFFFAOYSA-N 450.454 4.429 50 10 JIGE C#Cc1cccc(NC(=S)NNC(=O)c2oc3ccccc3c2CSc2ncccn2)c1 1633773548 JUWSVKRWDWHMBS-UHFFFAOYSA-N 459.556 4.128 50 10 JIGE C/C(=C/c1c(Cl)cccc1Cl)C(=O)NNC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1636369611 KAJAHCRKJJPTMS-YBEMTRGBSA-N 456.370 4.191 50 10 JIGE O=C([C@@H](Br)Cc1ccccc1Br)N1CCN(Cc2ccccc2)CC1 1858181685 YZMYHFKLRIGOTC-IBGZPJMESA-N 466.217 4.100 50 10 JIGE N#C/C(=C(/O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2ccccc2Cl)cs1 1872745787 CMJWCTUUEBTADQ-LGMDPLHJSA-N 466.862 4.461 50 10 JIGE O=S1(=O)CC[C@H]([C@H](Br)c2sc(Br)cc2Br)C1 1922929595 KMUCBFNDEZAZFB-XNCJUZBTSA-N 453.015 4.144 50 10 JIGE C[C@](CCl)(NC(=O)c1ccc(I)c(Br)c1)C(F)F 2043168374 JKCUDUXYYROOFW-LLVKDONJSA-N 452.464 4.046 50 10 JIGE CCOC(=O)Cc1c(I)ccc(CBr)c1C(F)(F)F 2055276077 QGUYWCMUZQJIIY-UHFFFAOYSA-N 451.020 4.311 50 10 JIGE CC[C@@H]1CN(C(=O)c2cc(Br)ccc2I)C[C@@H]1CCl 2140770188 YZPYNJNYRVPQOD-ZJUUUORDSA-N 456.549 4.391 50 10 JIGE O=C(N[C@@H]1COC2(CCC2)[C@H]1Br)c1cc(Br)c(Br)s1 2141547056 WQMBMUOPOZDKDV-APPZFPTMSA-N 474.012 4.088 50 10 JIGE CC(C)[C@H](CCN(C)S(=O)(=O)c1ccc(CBr)cc1)NC(=O)OC(C)(C)C 2163051210 QXORZRULIIGXBO-KRWDZBQOSA-N 463.438 4.141 50 10 JIGE O=C(N[C@H](CBr)C[C@H]1CCOC1)c1ccc(Br)cc1Br 2195479330 PIHARKYLWBULFW-KOLCDFICSA-N 469.999 4.132 50 10 JIGE COc1cc(C)c(Cl)cc1[C@@H](Br)c1cnn(C)c1I 2277994109 MBXSOMURAAUPRV-GFCCVEGCSA-N 455.521 4.479 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@@H](Br)[C@@H](C2CC2)C1 2295310017 QRNYIXXYWBIOKZ-ZIAGYGMSSA-N 466.011 4.386 50 10 JIGE CC(C)[S@](=O)(=NCC(C)(C)CI)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2306809732 MFPBXXARWLTTMW-LFPIHBKWSA-N 472.433 4.333 50 10 JIGE O=C(c1csc(Br)c1Br)N1CC[C@@H]2[C@H](C1)[C@@H]2CBr 2311899214 GJHINKVPMTXHDQ-RNJXMRFFSA-N 458.013 4.376 50 10 JIGE C[C@H]1CN(Cc2ccc(Cl)cc2I)C[C@@H](CCBr)O1 2341011041 KOTPUDJOUPOZLO-GXFFZTMASA-N 458.565 4.319 50 10 JIGE O=C(NCC(F)(F)C(F)(F)CI)c1cc(Br)ccc1F 2361679255 KCWXUFIMFVKQCR-UHFFFAOYSA-N 471.989 4.024 50 10 JIGE CC(C)C(=O)Nc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2C(C)C)cc1 9231638 DFBQKSWTQSVWOI-UHFFFAOYSA-N 476.371 4.007 50 10 JIGE O=C(COc1ccc2ccccc2c1)NNC(=S)NC(=O)c1sc2ccccc2c1Cl 12502493 LDMUXIQMQRFJBL-UHFFFAOYSA-N 469.975 4.422 50 10 JIGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1ccccc1OCCC(C)C 14034364 ARDRQXLDGNJXMA-GOSISDBHSA-N 471.623 4.340 50 10 JIGE CCCCOc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)CC)cc2)cc1Br 14041249 QPSGKAZEQSJVFZ-UHFFFAOYSA-N 462.344 4.051 50 10 JIGE CCc1ccc(OCC(=O)NNC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1 14642231 ZEMMINBRFHKTTL-UHFFFAOYSA-N 483.362 4.284 50 10 JIGE Cc1cc(Cl)ccc1OCC(=O)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Br 14644310 PLWYEGNASXTNIQ-LLVKDONJSA-N 476.154 4.058 50 10 JIGE COc1ccc(/C=C2\N=C(SCC(=O)/C(C#N)=C(\C)N)N(c3cc(C)cc(C)c3)C2=O)cc1 25436286 ZHRWUOLASSMCBK-GGCIHZKOSA-N 460.559 4.114 50 10 JIGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCC#N 58895400 UTGFQHGSPGMOGB-XYZKMYPFSA-N 465.550 4.079 50 10 JIGE C=CCOc1ccc(/C=C2/C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1OC 101305654 SDQCDPKTYYGFBX-KGENOOAVSA-N 488.540 4.112 50 10 JIGE CCCCOc1ccc(/C=N/NC(=O)c2cc(-c3ccc(F)cc3)nc(O)n2)cc1OCC 169923984 DHQXBSVEIJILRI-CVKSISIWSA-N 452.486 4.330 50 10 JIGE CCN(CC)c1ccc(C=NNC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)cc1 254570944 QAUBYYROLYAYJR-MSRJNXITSA-N 484.556 4.183 50 10 JIGE C[C@H]1CN(S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)C[C@@H]1CBr 709235979 CLEJSIMNANIJRY-YUMQZZPRSA-N 466.022 4.407 50 10 JIGE Cc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)NC2CCN(C(=O)CC(F)(F)F)CC2)c1C 726949530 ZTELFNNICXWNOF-MOSHPQCFSA-N 472.511 4.369 50 10 JIGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 746185377 PBPOJRZCZPUECP-UHFFFAOYSA-N 480.542 4.483 50 10 JIGE Cc1cc(/C=C(\C#N)C(=O)NCCCNC(=O)c2cccs2)c(C)n1-c1ccc(F)cc1 748655609 BMVZDLFSVVYEMS-XMHGGMMESA-N 450.539 4.138 50 10 JIGE CC(=O)N(CCc1ccccc1)CC(=O)NNc1cc(C(F)(F)F)ccc1Br 1639276012 PWYPEHFJTQZJKG-UHFFFAOYSA-N 458.278 4.002 50 10 JIGE COC(=O)c1ccc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc(C)c2)CCC3)cc1 1772744761 HZYJTSHUTNLJDU-UHFFFAOYSA-N 460.486 4.373 50 10 JIGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2cc(OC)ccc2OC)cc1 1865693225 SXYJEGINENDTSF-GOSISDBHSA-N 472.423 4.135 50 10 JIGE O=C(N[C@H]1CC[C@@H](Br)C1)c1ccc(Br)cc1I 2026212978 WYIPZCJTGDCRDP-APPZFPTMSA-N 472.946 4.100 50 10 JIGE C[C@@H](Br)[C@@H]1CCN1C(=O)c1ccc(Br)cc1I 2026216522 GCFDJWOHDLHFLK-HQJQHLMTSA-N 472.946 4.052 50 10 JIGE CCCCCCNC(SCC(=O)Nc1c(C)cccc1C(C)C)=C(C#N)C(=O)N1CCN(C)CC1 2040469607 FALKPBLLLHMLFK-UHFFFAOYSA-N 499.725 4.469 50 10 JIGE CCOC(=O)Cc1cc(I)cc(CBr)c1C(F)(F)F 2055275486 KRDTVPVRBFMECT-UHFFFAOYSA-N 451.020 4.311 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1CC[C@H](Br)CC12CC2 2113561870 OYZUNPDSDKQDND-VIFPVBQESA-N 454.533 4.477 50 10 JIGE Cn1cc([C@H](Br)c2cc3c(cc2Br)OCC3)c(Br)n1 2116551104 CJSVSQVTYKTOLJ-GFCCVEGCSA-N 450.956 4.364 50 10 JIGE C[C@@H]1CN(C(=O)c2csc(Br)c2Br)C[C@H](CCBr)O1 2122789039 KIYFSFDVWSFJLB-SFYZADRCSA-N 476.028 4.288 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CC[C@H]2[C@H](C1)[C@@H]2CBr 2142279750 URXSJDRPYCZLQB-JLLWLGSASA-N 498.984 4.157 50 10 JIGE CN([C@H]1CN(Cc2ccccc2)C(C)(C)C1)S(=O)(=O)c1ccc(CCBr)s1 2179818865 FELHXSWTIHJCPO-QGZVFWFLSA-N 471.486 4.359 50 10 JIGE O=S(=O)(c1csc(CBr)c1)N1CCC[C@H]1[C@@H]1CCN(Cc2ccccc2)C1 2179823032 DKQGZEAWDNLFJJ-XLIONFOSSA-N 469.470 4.318 50 10 JIGE FC(F)(F)c1cnc(N2CC[C@H](CBr)C23CC3)c(I)c1 2190351246 YRVRAFYRICUPAZ-MRVPVSSYSA-N 461.063 4.459 50 10 JIGE O=S1(=O)CC[C@@H](C(CBr)(CBr)Cc2cscc2Br)C1 2227115250 JYTMKTKDCIVACM-SNVBAGLBSA-N 495.096 4.264 50 10 JIGE CN(CC(F)(F)CBr)C(=O)c1ccc(Cl)c(I)c1 2256388131 HTSDZDGGEVNKAH-UHFFFAOYSA-N 452.464 4.047 50 10 JIGE N#CC(=CNc1ccc(S(=O)(=O)NC(=N)N)cc1)c1nc(-c2cccc3ccccc23)cs1 2297461784 YPODJVXBLVKMBT-UHFFFAOYSA-N 474.571 4.112 50 10 JIGE C=CCOc1c(I)cc(C=C(C#N)C(=O)NCc2ccccc2)cc1OC 2313518573 JQQNWNOYMZHEJB-UHFFFAOYSA-N 474.298 4.088 50 10 JIGE N#CC(=Cc1cc(Br)c(N2CCOCC2)o1)C(=O)Nc1ccc(Br)cc1 2313565034 NSFBHAZGEKRINB-UHFFFAOYSA-N 481.144 4.187 50 10 JIGE COc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(C)cc1C 2314737460 MTBIXOKURXWKHH-UHFFFAOYSA-N 460.486 4.113 50 10 JIGE O=C(COc1ccc(C(=O)NCc2ccccc2)cc1)NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 2321698121 HBAWIVGGTUHUJO-UHFFFAOYSA-N 498.495 4.314 50 10 JIGE BrC[C@H]1CO[C@@H]2CN(Cc3ccc(Br)cc3Br)C[C@@H]21 2330877882 UEJPHCBIVJPGTC-ZKYQVNSYSA-N 454.000 4.053 50 10 JIGE C=CC[C@@H](Br)[C@H]1CCN1C(=O)c1ccc(Cl)c(I)c1 2335812143 YPSJKFWOHKUMAS-ZWNOBZJWSA-N 454.533 4.499 50 10 JIGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1cc(Cl)cc(Cl)c1 10505805 XJWRUIRHCKLIAH-LBPRGKRZSA-N 454.379 4.221 50 10 JIGE Cc1ccc(NC(=O)CCC(=O)NNC(=O)c2ccc(OCCc3ccccc3)cc2)c(C)c1 14041580 UYFUCTAIUDHECW-UHFFFAOYSA-N 459.546 4.105 50 10 JIGE COc1ccc(NC(=O)COc2ccc(/C=C(/C#N)c3nc(O)c4ccccc4n3)cc2OC)cc1 34988300 PLLOUEYCMJHDME-AQTBWJFISA-N 482.496 4.434 50 10 JIGE O=C(NNc1ncnc(Nc2ccc(Br)cc2F)c1[N+](=O)[O-])c1ccc(Cl)cc1 40657820 OQVJPEHTDBERKS-UHFFFAOYSA-N 481.669 4.440 50 10 JIGE Cc1c(C(=O)NCc2ccco2)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 40811791 GOHXGKQTSHZDTA-KOEQRZSOSA-N 470.323 4.344 50 10 JIGE Nn1c(SCCCC(=O)N/N=C/c2ccccc2OCc2ccccc2)nnc1-c1ccccc1 58990404 UWOCGFDKYNZFKO-MTDXEUNCSA-N 486.601 4.261 50 10 JIGE N#Cc1ccccc1COc1ccc(/C=N/NC(=O)Cc2ccccc2)cc1I 59153280 HRWUDFSTJHTTKV-CVKSISIWSA-N 495.320 4.435 50 10 JIGE COc1cc(/C=N/NC(=O)COc2c(C)cc(C)cc2C)ccc1OCc1ccc(C(=O)O)cc1 59165206 CAIRORLFDFCXRB-CCVNUDIWSA-N 476.529 4.427 50 10 JIGE COC(=O)c1cc(N/C=C(\C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc(C(=O)OC)c1 102716583 XMTHXDBKLTVZQZ-SFQUDFHCSA-N 487.493 4.466 50 10 JIGE CC(=C/c1ccccc1)/C=C(/NC(=O)c1ccccc1)C(=O)NN=Cc1ccc([N+](=O)[O-])cc1 254306611 HZYYNLUGGRTLKP-MOBSUGRZSA-N 454.486 4.462 50 10 JIGE Cc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)cc1 254625335 UDWDTTNBXMGFCP-UHFFFAOYSA-N 472.530 4.393 50 10 JIGE CCOc1cc(C=NNC(=O)COc2ccccc2C)ccc1OC(=O)c1ccc(OC)cc1 254759258 MLSBSCBIUFMALU-UHFFFAOYSA-N 462.502 4.151 50 10 JIGE O=C1COc2ccc([C@@H](Br)c3sccc3I)cc2N1 311647590 DGEAXAKCSZQQEC-GFCCVEGCSA-N 450.095 4.168 50 10 JIGE Cc1ccc(C)c(C(=O)/C=C2\SC(=Nc3ccccc3C(=O)CBr)NC2=O)c1 606657783 YRUVXXLKHBZNCR-GRSHGNNSSA-N 457.349 4.498 50 10 JIGE C[C@H]1CCN(C(=O)c2cc(Cl)ccc2I)C[C@@H]1CBr 704039234 JBNLZUBUGJBFIU-UWVGGRQHSA-N 456.549 4.438 50 10 JIGE CCCOc1ccc(C=NNC(=O)c2c(C)nc3ccc(Br)cn23)cc1OCC 1083958150 NJBDXDQFLOETFH-UHFFFAOYSA-N 459.344 4.357 50 10 JIGE Cc1nc2ccccc2n1CC(=O)NN=C1C(=O)N(Cc2ccccc2Cl)c2ccccc21 1084102219 ZDODOEQLSYBGQH-UHFFFAOYSA-N 457.921 4.065 50 10 JIGE O=C(COc1cccc(Br)c1)NN=Cc1cc(Br)c(Br)o1 1084561345 VYAXHPWLFXXXMY-UHFFFAOYSA-N 480.938 4.096 50 10 JIGE C=CCc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(Br)c1OCC(=O)O 1084592633 ALLHDJIGWDRBTM-UHFFFAOYSA-N 457.280 4.151 50 10 JIGE CC(=O)N(c1ccc(NC(=O)NNC(=O)c2cc(C)n(-c3ccccc3)c2C)cc1)[C@@H]1C[C@@H]1C 1670263809 MRVYCHLQVDPESS-UPCLLVRISA-N 459.550 4.322 50 10 JIGE C=CCC[C@H](NC(=O)NNC(=O)c1ccc(OC)cc1OC)c1ccc(C(F)(F)F)cc1 1679306239 VZMCTQGOBHRCGI-SFHVURJKSA-N 451.445 4.374 50 10 JIGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)NNC(C)(C)C)c(C)c43)coc2c1C 1772751464 CIHCBQXUJJSDDS-UHFFFAOYSA-N 464.566 4.383 50 10 JIGE CCOC(=O)c1cnn(-c2ccc(Cl)cc2)c1NC(=O)/C(C#N)=C/c1ccc(OCCOC)cc1 1866215258 KHXVSBCLXIWSFS-NBVRZTHBSA-N 494.935 4.273 50 10 JIGE CC(C)(C)OC(=O)N[C@H](CBr)[C@H]1CN(Cc2ccccc2)[C@]2(CCCOC2)C1 1885095955 FQUAHQCYMWUUKT-WOIUINJBSA-N 453.421 4.346 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@H](Br)C2(CC2)C1 2032396311 AHHDZVBONXZUIQ-NSHDSACASA-N 484.957 4.053 50 10 JIGE O=S(=O)(c1cc(CBr)oc1Br)N1CCC[C@@H](OCc2ccccc2)C1 2066328699 AZUMCKJKYQMHOM-CQSZACIVSA-N 493.217 4.307 50 10 JIGE CC[C@H]1CN(C(=O)c2ccc(Br)cc2I)C[C@H]1Br 2086151525 OXAVNRXHANESCR-GZMMTYOYSA-N 486.973 4.299 50 10 JIGE CC[C@H](CBr)CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2098056814 IICYQVRBTYEWAD-SSDOTTSWSA-N 454.011 4.455 50 10 JIGE O=C(NC[C@]1(F)C[C@H](CBr)C1)c1cc(Cl)ccc1I 2112237934 FKIAVJBBKQSXNW-XCSCGOTBSA-N 460.512 4.188 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1CC[C@H](Br)[C@H]1C1CC1 2130609838 CAZKFCUUWTXRHU-GXFFZTMASA-N 454.533 4.333 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CC[C@H](Br)[C@H]2CC[C@H]21 2133726318 KUTAGVFTNXIKSH-GBIKHYSHSA-N 498.984 4.442 50 10 JIGE O=C(c1ccc(F)cc1I)N1[C@H](CBr)C[C@H]2CCC[C@@H]21 2164656366 MHSRLAWCKFDNAX-PUYPPJJSSA-N 452.105 4.208 50 10 JIGE Cc1csc(CBr)c1S(=O)(=O)N1CCN(Cc2ccccc2)CC(C)(C)C1 2179821406 KCNWDBUSPKFQQL-UHFFFAOYSA-N 471.486 4.484 50 10 JIGE CN([C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)S(=O)(=O)[C@@H]1CC[C@H](CBr)C1 2179828759 TZUYKYGYAUWBRA-WRTQPQOASA-N 455.462 4.007 50 10 JIGE C[C@@H]1[C@@H](C(F)(F)F)N(CCCCCI)CCN1C(=O)OC(C)(C)C 2214708443 KHOMWFSEFCCZBO-OLZOCXBDSA-N 464.310 4.464 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@@H](F)C[C@H](Br)C1 2219179560 HGHLFIJOUSWQQC-IUCAKERBSA-N 490.936 4.001 50 10 JIGE O=C(c1c(F)cccc1I)N1CC[C@@H](Br)CC12CCC2 2282793725 CSRBWXOWZGWCBI-SNVBAGLBSA-N 452.105 4.353 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@H]2CC[C@@]2(CBr)C1 2295313793 OWVDYLWWKKCBEG-IAQYHMDHSA-N 466.011 4.388 50 10 JIGE Cc1cc(C=C(C#N)C(=O)O[C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)c(C)n1CCC(C)C 2297486945 IMGHDIUNAHQRBZ-IBGZPJMESA-N 465.550 4.035 50 10 JIGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)C1=CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 2314585702 NZHOCCXBVGFXKQ-UHFFFAOYSA-N 456.380 4.318 50 10 JIGE FC(F)(F)[C@@H]1CN(Cc2sccc2I)C[C@@H]1CBr 2316761285 CLMXZCHSOHLTHJ-JGVFFNPUSA-N 454.093 4.358 50 10 JIGE O=C(N[C@@H]1C[C@@H]2C[C@H]1C[C@@H]2Br)c1ccc(I)c(Br)c1 2330912364 CTPNYZPIEIDLSQ-AVWBDOJWSA-N 498.984 4.346 50 10 JIGE Cn1cc(I)c(C[C@H](CCl)Cc2cccc(Br)c2)n1 2341755956 MSQLSLQFKKRVBB-LLVKDONJSA-N 453.549 4.427 50 10 JIGE Cc1ccc(OCC(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 12492040 KLNHJBLFIDIWMV-UHFFFAOYSA-N 459.546 4.385 50 10 JIGE Cc1cc(OCC(=O)NNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C(C)C)cc1Br 12492875 JJHCBWNBONFECG-UHFFFAOYSA-N 484.734 4.283 50 10 JIGE CCCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(OCCC(C)C)cc1 14032456 YTBACPVWSIJBMF-UHFFFAOYSA-N 457.596 4.240 50 10 JIGE Cn1cc(C(=O)NN[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)c2ccccc21 15501163 LXLDVEPUOMDYIA-QFIPXVFZSA-N 477.908 4.354 50 10 JIGE COc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccccc3F)nc3ccccn3c2=O)cc1 34367468 XWHNQQGSXBFEIZ-PEZBUJJGSA-N 456.433 4.180 50 10 JIGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3)ccc2[C@H]1c1cccc([N+](=O)[O-])c1 38653466 JWOPPRBDPOTNAC-HSZRJFAPSA-N 477.860 4.451 50 10 JIGE O=C(NNc1ncnc(NC23CC4CC(CC(C4)C2)C3)c1[N+](=O)[O-])c1ccc(Br)cc1 40621634 JNXFUOXVYBBCAV-UHFFFAOYSA-N 487.358 4.285 50 10 JIGE NNC(=O)c1ccccc1COc1c(Br)cc(Br)cc1Br 110555199 FVBVCBIVQIJLNA-UHFFFAOYSA-N 478.966 4.157 50 10 JIGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1CCC[C@H](Br)C1 125410820 PZWSNLXDCMYLOH-ZETCQYMHSA-N 451.995 4.304 50 10 JIGE CCCCOc1ccccc1/C=C\C(=O)Oc1ccc(/C=C(/C#N)C(=O)N2CCOCC2)cc1OC 207223310 WBOFGKRZTKSDQJ-WRJYVYONSA-N 490.556 4.259 50 10 JIGE COc1ccc(OC)c(C=NNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)c1 254848321 IIYOZWSVFCNRNT-UHFFFAOYSA-N 473.558 4.194 50 10 JIGE COc1ccc(NC(=O)C(=O)NN=Cc2cc(C)n(-c3ccccc3C(F)(F)F)c2C)cc1 1084567605 RARHXONQLVBXNZ-UHFFFAOYSA-N 458.440 4.210 50 10 JIGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cccc3ccccc23)Cc2ccccc2)cc1 1084599874 RRVCXGFGKJJMTI-UHFFFAOYSA-N 487.581 4.190 50 10 JIGE O=C(COc1ccc(Br)cc1Br)NNC(=S)Cc1ccccc1Cl 1088699581 IHOFYOSXQUQQGC-UHFFFAOYSA-N 492.620 4.435 50 10 JIGE Cc1c(C(=O)N2CCOCC2)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772749776 ZJYFUEUFMJXSMZ-UHFFFAOYSA-N 471.557 4.049 50 10 JIGE COc1ccc(N2CCN(C(=O)[C@@H](Br)Cc3ccccc3Br)CC2)cc1 1858181692 ZRPMICOMTJYEPW-IBGZPJMESA-N 482.216 4.113 50 10 JIGE COc1cccc(/C=N/NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)c1OCc1cccc(C)c1 1873795363 ZSEQQGWYLRNIHL-WTFDWONZSA-N 467.566 4.432 50 10 JIGE N=[S@](=O)(C[C@@H]1C[C@@H]1Br)c1cc(I)ccc1Br 1900819480 DWVYHUMXLGNYKL-UOSCCXBLSA-N 478.975 4.243 50 10 JIGE Cc1sc(Br)cc1S(=O)(=O)N(C)C[C@@H](Br)COCc1ccccc1 1916359822 DZBGVXRXLBKFNO-CQSZACIVSA-N 497.274 4.420 50 10 JIGE O=C(N[C@@H](CBr)C[C@H]1CCCO1)c1ccc(Br)cc1Br 1926741880 VBVXHNACNFVNEL-GHMZBOCLSA-N 469.999 4.274 50 10 JIGE CC(C)(C)OC(=O)N[C@H](CBr)C1CCC2(CC1)CN(C(=O)OC(C)(C)C)CCO2 1975075671 ZPAKOEMSVFWRCO-ZGOJQLDESA-N 477.440 4.471 50 10 JIGE CC1(C)CN(c2ncc(I)cc2Br)CC[C@@H]1Br 2015757102 OQUMRTWYEIIAIC-JTQLQIEISA-N 473.978 4.449 50 10 JIGE CCN(CC)S(=O)(=O)C[C@H](Br)c1cc(Br)c(Br)s1 2028948318 FMOJXRMDAUMFFW-QMMMGPOBSA-N 484.073 4.381 50 10 JIGE CCOC(=O)Cc1cc(I)cc(CBr)c1Br 2054979613 XICRJYCJNDCBTR-UHFFFAOYSA-N 461.919 4.054 50 10 JIGE COc1cc(Br)ccc1C(=O)NCCSSCCNC(=O)OC(C)(C)C 2125298908 CXIZHMRPOYBABZ-UHFFFAOYSA-N 465.435 4.094 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1CC[C@H](Br)[C@@H]1C1CC1 2130609837 CAZKFCUUWTXRHU-GWCFXTLKSA-N 454.533 4.333 50 10 JIGE CCC(CC)(CBr)CN1C(=O)C(=O)c2cc(I)ccc21 2146802073 LZLVZIIWYZHJST-UHFFFAOYSA-N 450.114 4.022 50 10 JIGE O=C(c1cc(I)ccc1F)N1C[C@@H]2CCC[C@@H](Br)[C@H]2C1 2169666210 SLKKITHEPLEJOG-TVYUQYBPSA-N 452.105 4.066 50 10 JIGE Cc1cnc(NCCSSCCNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2224093112 FVQJBZRMCKOOJX-UHFFFAOYSA-N 469.482 4.007 50 10 JIGE COc1cc(Br)c(C)cc1[C@@H](Br)c1nn(C)nc1Br 2226971453 CNLSFVUHBODPOQ-SNVBAGLBSA-N 453.960 4.141 50 10 JIGE CN(C(=O)Cc1cc(Br)cc(Br)c1)C1CC(CBr)C1 2277926932 KEHIAMFZMFIFHP-UHFFFAOYSA-N 454.000 4.386 50 10 JIGE O=C(c1csc(Br)c1Br)N1C[C@@H]2CC[C@@H](CBr)O[C@@H]2C1 2289340373 MPWBLEMOTCUXDJ-OYNCUSHFSA-N 488.039 4.288 50 10 JIGE Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(N(CCCl)CCCl)cc3)C2=O)c1C 2313548128 MITCAYADSGPLMQ-UHFFFAOYSA-N 460.361 4.254 50 10 JIGE C[C@@H]1CN(C(=O)c2ccc(Cl)cc2I)C[C@@]1(C)CBr 2340062396 ZBLXAQHWJSEBIJ-YMTOWFKASA-N 456.549 4.438 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1C[C@H](Br)CC12CCC2 2340062679 BZGVWVGDOUOGTN-SECBINFHSA-N 454.533 4.477 50 10 JIGE CC[C@H](C)Oc1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2Br)cc1 10292362 CGKHGJPRTAJTMS-LBPRGKRZSA-N 455.736 4.120 50 10 JIGE CCOc1ccc(/C=C/C(=O)NNC(=O)COc2ccc3ccccc3c2Br)cc1 13620722 BOCGXIDZNRHFLK-NTEUORMPSA-N 469.335 4.241 50 10 JIGE Cc1cc(Br)cc(C)c1O[C@@H](C)C(=O)NNC(=O)c1ccc(NC(=O)CC(C)C)cc1 14643307 NAYOGQOUCBRTFZ-INIZCTEOSA-N 490.398 4.279 50 10 JIGE C[C@@H](Cl)C(=O)N1CCN(c2nc3nccc(-c4ccc(C5CCCCC5)cc4)n3n2)CC1 23426522 SGJOTAQBUMOUFP-QGZVFWFLSA-N 452.990 4.115 50 10 JIGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4)ccc32)c1 38684524 FFUJJPUKGQHITA-SANMLTNESA-N 454.482 4.454 50 10 JIGE CCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(/C=C(\C#N)C(=O)OCC)cc2OC)cc1 40868433 YSDMETQTQCDWCZ-AQPIEGPOSA-N 460.486 4.467 50 10 JIGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCC(=O)O 59335628 UZYDLVRXFVFVPZ-NVNXTCNLSA-N 459.296 4.165 50 10 JIGE COc1cc(/C=C(/C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1ccc(C)cc1C(C)(C)C 207214563 WTFKDXMTFRFVHV-QNGOZBTKSA-N 492.572 4.051 50 10 JIGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(C(=O)OC)cc2)sc2c1CC[C@H](C)C2 209405711 LTEUASDGTSPDKV-VMOJBDSFSA-N 452.532 4.382 50 10 JIGE O=C(NC[C@@H]1CCC[C@@H]1CBr)c1cc(Cl)ccc1I 236065800 RAPLAGQGSJYREW-ZJUUUORDSA-N 456.549 4.486 50 10 JIGE Cc1ccc(S(=O)(=O)Oc2ccccc2C=NNC(=O)c2cccc(Br)c2)cc1 252597756 CVBNQOOOWFTAOT-UHFFFAOYSA-N 473.348 4.289 50 10 JIGE CCCOc1ccc(C(=O)NCC(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 254569241 OOARWAURXMRRLA-UHFFFAOYSA-N 499.546 4.347 50 10 JIGE ClCCc1nc2cc(I)ccc2n1C[C@H]1CN(Cc2ccccc2)CCO1 380662967 UGBKUYBBFXYWLI-GOSISDBHSA-N 495.792 4.323 50 10 JIGE FC(F)(F)COC[C@H](Br)c1cc(I)cc2c1OCC2 381769717 AVYHSEWDBLVVAK-JTQLQIEISA-N 451.020 4.241 50 10 JIGE O=C(OCc1ccccc1)N1C[C@H](c2cc(F)ccc2O)[C@@H](CI)C1 382698738 MOUPEQIGDINYRC-YOEHRIQHSA-N 455.267 4.319 50 10 JIGE CO[C@@]1(CBr)CCCN(C(=O)c2cc(Br)c(Br)s2)C1 401615212 NALJJKNBBZHYDD-GFCCVEGCSA-N 476.028 4.289 50 10 JIGE C[C@H]1[C@H](C)N(S(=O)(=O)c2ccc(CBr)cc2)C[C@@H](C)N1Cc1ccccc1 404260955 DJOXXVKNPOPCJB-SQNIBIBYSA-N 451.430 4.254 50 10 JIGE Cn1ncc(Br)c1[C@H](Cl)c1cc(I)cc2c1OCC2 710306167 YVWKPSLNDHRDQS-LLVKDONJSA-N 453.505 4.050 50 10 JIGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)ccc1O 1865681110 FDLNEQSCPSGNEQ-GOSISDBHSA-N 474.414 4.412 50 10 JIGE CCc1cccc(C)c1N1C[C@@H](C(=O)NNC(=O)c2ccc(-c3ccc(F)c(F)c3)nc2C)CC1=O 1865757019 JSNGFRRGIDZHSJ-IBGZPJMESA-N 492.526 4.020 50 10 JIGE O=C(NC[C@@H]1C[C@H]1Br)c1c[nH]c2cc(Br)c(Br)cc12 1887783276 BZSMGULNCCLOLV-IMTBSYHQSA-N 450.956 4.206 50 10 JIGE O=C(Nc1ccc(Br)c(I)c1)C1CC(Br)C1 1991408792 JQJVZBLKZCTXSD-UHFFFAOYSA-N 458.919 4.166 50 10 JIGE O=C(c1c(Br)cccc1Br)N1CCC(CI)CC1 2037347227 IWPBZEQZUOKVDL-UHFFFAOYSA-N 486.973 4.499 50 10 JIGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CCC[C@](F)(CBr)C1 2101307941 IUXVQULUJQIKFL-JTQLQIEISA-N 455.596 4.052 50 10 JIGE O=C(c1c(Br)cccc1Br)N1CC(F)(F)C[C@H]1CBr 2102802797 ALHUJFDIVGZYCN-ZETCQYMHSA-N 461.926 4.456 50 10 JIGE O=C(N[C@@H]1C[C@H](CBr)[C@H]2C[C@@H]21)c1cc(Cl)ccc1I 2110548263 GKEMVELRTCACGJ-SQFXPHBZSA-N 454.533 4.094 50 10 JIGE CC[C@]1(CBr)COCCN1Cc1cc(Cl)ccc1I 2112713502 NPSPEICEMYZACS-AWEZNQCLSA-N 458.565 4.321 50 10 JIGE Brc1ccc(Br)c(CN2CC[C@@]3(C[C@@H](Br)CO3)C2)c1 2137129175 BBDMPMXHYUKFLE-TZMCWYRMSA-N 454.000 4.340 50 10 JIGE C[C@]12CN(C(=O)c3ccc(Br)cc3I)C[C@@]1(CBr)C2 2142284586 FBSUSYMDAUGEHK-KBPBESRZSA-N 498.984 4.301 50 10 JIGE O=C(c1cc(I)ccc1O)N1CCC[C@H](CCBr)CC1 2149739150 GITKZMAWDQHYRV-LLVKDONJSA-N 452.130 4.024 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1CC[C@@H](Br)CC12CC2 2169893722 DSCNUTMQGIOHNS-SNVBAGLBSA-N 488.039 4.292 50 10 JIGE Cc1ccc(S(=O)(=O)N2C[C@H](C)N(Cc3ccccc3)C[C@H]2C)cc1CBr 2179786338 ZGVOEVKQZMBDAR-ZWKOTPCHSA-N 451.430 4.173 50 10 JIGE O=C(c1ccc(Br)cc1I)N1[C@H]2CC[C@H](Cl)[C@H]1CC2 2229873255 WYWOZXSSVFAHEJ-XHVZSJERSA-N 454.533 4.428 50 10 JIGE CCOc1cccc(NC(=O)C(C#N)=Cc2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)c1 2313543536 IZRIVOWHAVJWEQ-UHFFFAOYSA-N 473.485 4.435 50 10 JIGE CCOc1ccc(C(=O)C=C2SC(=Nc3ccc(C(=O)CBr)cc3)NC2=O)cc1 2323628414 DPMXQAYJSQIUQK-UHFFFAOYSA-N 473.348 4.280 50 10 JIGE Cc1ccc(N)c(NC=C(C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 2324609719 RFDVPJUEYFBRON-UHFFFAOYSA-N 451.574 4.330 50 10 JIGE COc1cc(Cl)c(CBr)c(N2C[C@@H]3OCCN(Cc4ccccc4)[C@H]3C2)c1 2365805857 PLFOBZOSDNPYMX-SFTDATJTSA-N 451.792 4.333 50 10 JIGE C/C(=N/NC(=O)COc1c(C)cc(Br)cc1Br)c1ccc(N)cc1 12483480 PKKAPDXAKLFZNF-NHDPSOOVSA-N 455.150 4.021 50 10 JIGE CC[C@@H](Oc1cccc(C)c1)C(=O)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 14023250 RXUWWGQSAFEVEW-GOSISDBHSA-N 452.338 4.026 50 10 JIGE C/C(=N/NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)c1ccc(Br)cc1 33910620 YBHRQTBMBKOGSR-BKUYFWCQSA-N 478.393 4.465 50 10 JIGE O=C(Cn1cnc2ccccc21)N/N=C/c1cc(Br)ccc1OC(=O)/C=C/c1ccco1 59181212 RUZZJXIZQKTNKO-QQCFEHSUSA-N 493.317 4.161 50 10 JIGE Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/NC(=O)c2ccc(Br)cc2)cc1 59392253 SXEDGBYSTSASOV-OEAKJJBVSA-N 473.348 4.289 50 10 JIGE CCOC(=O)C1CCN(C(=O)/C(C#N)=C\Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 217201719 AMYSAVHPAXNDGF-QBFSEMIESA-N 463.378 4.345 50 10 JIGE C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NN=Cc1c(-c2ccccc2)nc2ccccn12 254401014 UAVWBSWPQGUROO-CBKZDSQWSA-N 469.589 4.173 50 10 JIGE COc1cc(C)c(Br)cc1[C@@H](Cl)c1cnn(C)c1I 381883309 IFGKEPGZCBHMBN-GFCCVEGCSA-N 455.521 4.432 50 10 JIGE CC[C@H](CBr)N(C)S(=O)(=O)c1cc(Br)ccc1Br 393484216 DLMNCOAHTBTYBM-SECBINFHSA-N 464.017 4.006 50 10 JIGE COC[C@@H](C)NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772747329 NDQRRWACPZJYJX-QGZVFWFLSA-N 459.546 4.490 50 10 JIGE Cc1c(C(=O)NNC(=O)c2ccccc2F)oc2c1C(=NNC(=O)c1cccc3ccccc13)CCC2 1772749150 XJNQGXXOJYYNRR-UHFFFAOYSA-N 498.514 4.426 50 10 JIGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2)cc(Br)c1O 1865688014 GLXTVUBQSGDXME-FQEVSTJZSA-N 481.350 4.325 50 10 JIGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccn2)c1 1865693807 ZHAXPASDUUAMOP-JOCHJYFZSA-N 451.486 4.170 50 10 JIGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)c1OC 1865701546 XWIDBDOCIVWALK-KRWDZBQOSA-N 474.414 4.325 50 10 JIGE CCCc1nn(Cc2ccccc2)c2c1[C@H](c1cc(Cl)c(O)c(OC)c1)C(C#N)=C(N)O2 1865707529 YUEQDBGETQIGIN-HXUWFJFHSA-N 450.926 4.470 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(Cl)c2)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1865715117 WNVIMDOGCZRNTR-MRXNPFEDSA-N 491.813 4.436 50 10 JIGE N#CSc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc(-c3cccnc3)[nH]n2)cc1 1867158426 DWIMDDYGOMLUJG-QFIPXVFZSA-N 468.542 4.025 50 10 JIGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(C(=O)C3CCCCC3)CC2)n1 1868253747 RQLXUCLMKIORMW-UHFFFAOYSA-N 480.638 4.211 50 10 JIGE Cc1nc(C(=O)N[C@@H](CCBr)COCc2ccccc2)c(Br)s1 1902791163 UORZFNIAUMMUDK-ZDUSSCGKSA-N 462.207 4.314 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCN(C(=O)OC(C)(C)C)C2(CC2)C1 1985347768 YJBAFWDHWFHUPY-MRXNPFEDSA-N 461.694 4.414 50 10 JIGE CN(C[C@H]1CCC[C@@H]1Br)c1ncc(I)cc1Br 2015761718 ATXKPRIBCOFUKY-SCZZXKLOSA-N 473.978 4.449 50 10 JIGE Cc1c(Br)cc(CBr)cc1S(=O)(=O)N1CC(OCc2ccccc2)C1 2059290806 DGZSYDJUJTUPQC-UHFFFAOYSA-N 489.229 4.242 50 10 JIGE Clc1ccc(I)c(CBr)c1I 2060261391 SHNCWFVHQPTBTP-UHFFFAOYSA-N 457.274 4.444 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@@H]2CC[C@H](C1)C2Cl 2111473623 LVKGTNGZTKBXMC-PHXKMMTBSA-N 454.533 4.143 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1C[C@@H]2[C@H](CBr)C[C@H]2C1 2117685119 XQPHAOLWNDPSNM-HOTUBEGUSA-N 454.533 4.048 50 10 JIGE C[P@]1(=O)C[C@@H](Br)[C@@H](NC(=O)c2cccc(Br)c2Br)C1 2121369289 RTKLYTZTQXGQJZ-QGRDJGHBSA-N 473.927 4.080 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CC2(CC(CCl)C2)C1 2129957074 UTENGAKDFPRPLI-UHFFFAOYSA-N 454.533 4.145 50 10 JIGE C[C@]12CN(S(=O)(=O)c3cc(Br)ccc3Br)C[C@@]1(CBr)C2 2165489399 QGXUPOMGLOIYRH-STQMWFEESA-N 488.039 4.007 50 10 JIGE Cc1ccc(CBr)cc1S(=O)(=O)N1CCN(Cc2ccccc2)CC[C@H]1C 2179787637 RRERHSNVZISJTC-GOSISDBHSA-N 451.430 4.175 50 10 JIGE C[C@@H]1CCN(S(=O)(=O)c2ccc(F)c(CBr)c2)CCN1Cc1ccccc1 2179789803 VYFBCFRGTBITGE-MRXNPFEDSA-N 455.393 4.006 50 10 JIGE O=C(NC[C@H]1CC[C@H](CBr)CO1)c1cc(Br)ccc1Br 2279407534 LZUXQEPECSUFSQ-MWLCHTKSSA-N 469.999 4.132 50 10 JIGE O=C(c1c(F)cccc1I)N1CC[C@@]2(CCC[C@H]2Br)C1 2282779946 IDVTUDZNVTVXBM-DOMZBBRYSA-N 452.105 4.210 50 10 JIGE O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc2c(c1)CCN2CCCCl 2296939533 QGBPTWHLOMYLKP-UHFFFAOYSA-N 460.386 4.163 50 10 JIGE COc1cc(C=NNC(=O)c2cc3ccccc3n2C)cc([N+](=O)[O-])c1OCc1ccccc1 2318417985 MHQUEOQFNAUEIJ-UHFFFAOYSA-N 458.474 4.438 50 10 JIGE CC(C)(C)c1csc(C(C#N)=C(O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)n1 2331308266 QVLZXUJNGFVLER-UHFFFAOYSA-N 468.000 4.065 50 10 JIGE CCc1ccc(OCC(=O)NNC(=O)COc2cc(C)ccc2C(C)C)c(Br)c1 1796639 PSVMZQKCYPKVCT-UHFFFAOYSA-N 463.372 4.049 50 10 JIGE COc1ccc(CC(=O)NNC(=O)c2ccc(SCc3cc(F)ccc3F)c([N+](=O)[O-])c2)cc1 3020487 JORDSXUSTOQSKB-UHFFFAOYSA-N 487.484 4.178 50 10 JIGE CC(C)c1ccccc1OCC(=O)NNC(=O)COc1c(Cl)cc(Cl)cc1Br 9779572 NYRJCKUYQIPBHP-UHFFFAOYSA-N 490.181 4.485 50 10 JIGE O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)c1ccc(Cl)cc1 12501811 GCLOXRVSFLXXQD-UHFFFAOYSA-N 460.770 4.142 50 10 JIGE C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=S)NC(=O)Cc1cccc2ccccc12 14031787 UHWPGXZMEGQDHR-KRWDZBQOSA-N 457.555 4.025 50 10 JIGE Cc1cccc(Nc2ncnc(NNC(=O)C(c3ccccc3)c3ccccc3)c2[N+](=O)[O-])n1 40584788 VQNQVNHTGBBEDY-UHFFFAOYSA-N 455.478 4.107 50 10 JIGE Cc1ccc(C(=O)NNc2ncnc(Oc3ccc(Br)c4cccnc34)c2N)cc1 40784198 UEZWSVSYFCGXLY-UHFFFAOYSA-N 465.311 4.227 50 10 JIGE CCOC(=O)c1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)COc2ccccc2)CCC3)cc1 40816109 XANWHYXJZJWIRK-XHLNEMQHSA-N 489.528 4.253 50 10 JIGE CCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCCOC)cc2OC)cc1 103647699 DPOKAGDODNZKIB-KBMODPGRSA-N 478.545 4.162 50 10 JIGE O=C(NNC(=O)C1(c2cccc(C(F)(F)F)c2)CCOCC1)c1ccc(COc2ccccc2)o1 108786901 DHNALHLUUIOAOL-UHFFFAOYSA-N 488.462 4.387 50 10 JIGE O[C@@H](CBr)COc1c(Br)cc(Br)cc1Br 163103580 SCGJQWKHMGAQTH-LURJTMIESA-N 467.777 4.109 50 10 JIGE C=CCc1ccccc1OCCOc1ccc(C=NNC(=O)CSc2nnc(C)s2)cc1 254287148 LJKFYRYVOKNWLE-UHFFFAOYSA-N 468.604 4.275 50 10 JIGE COc1cc2c(cc1NC(=O)CC(C)=NNC(=O)C(=O)Nc1ccc(C)cc1)oc1ccccc12 254346251 DEHVOOCFKQCOHB-UHFFFAOYSA-N 472.501 4.362 50 10 JIGE CCOc1ccc(-n2c(SCC(=O)NN=C(C)c3cccs3)nnc2-c2cccnc2)cc1 254700470 APAMMHLRMPQRAF-UHFFFAOYSA-N 478.603 4.422 50 10 JIGE Cc1ccc(-c2ccc(C=NNC(=O)CSc3nnnn3-c3ccccc3)o2)cc1Cl 254736705 RMHUWJJCJJXQSS-UHFFFAOYSA-N 452.927 4.127 50 10 JIGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2ccc([N+](=O)[O-])cc2)C1 382698398 YTOVLPRRPCDSCY-SJLPKXTDSA-N 466.275 4.382 50 10 JIGE O=C(N[C@@H](CBr)C1CCCCC1)c1ccc(I)c(O)c1 395337231 VUUWHKYEAISAIJ-ZDUSSCGKSA-N 452.130 4.070 50 10 JIGE CCc1nnc(COc2c(Br)cc(CBr)cc2Br)n1C 697762935 GHSFCAOHEMQQJG-UHFFFAOYSA-N 467.987 4.376 50 10 JIGE C[C@H]1CCCN(C(=O)c2ccc(F)cc2I)[C@H]1CCBr 700330550 UWUIETMICBEATQ-HZMBPMFUSA-N 454.121 4.456 50 10 JIGE CCOc1ccc(OCC)c(NC(=S)NNC(=O)COc2ccc(Cl)c(Cl)c2)c1 727492094 GMMXMIWAYBSIMU-UHFFFAOYSA-N 458.367 4.187 50 10 JIGE Cn1cc(C(=O)NNC(=O)N[C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)c2ccccc21 729620905 XAEIZPLHVNBDMB-IBGZPJMESA-N 463.538 4.463 50 10 JIGE C[C@H]1Oc2ccc(NC(=O)/C(C#N)=C\c3cn(CCC#N)nc3-c3ccc(Cl)cc3)cc2NC1=O 818072778 AMDZVLTUQYURNP-QJISPJEISA-N 486.919 4.382 50 10 JIGE Cc1cc(C=NNC(=O)C(=O)Nc2ccccc2F)c(C)n1-c1cccc(Br)c1 1084034094 QAOKBJHJQQJTJC-UHFFFAOYSA-N 457.303 4.085 50 10 JIGE O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)N/N=C\c1cccc(OCc2ccccc2)c1 1860773148 RUFQSFLGHYOUMQ-MUXKCCDJSA-N 472.570 4.066 50 10 JIGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@@H](c2ccc(O)c(O)c2)C(C#N)=C(N)O3)cc1 1865680641 QSGBBIUBVSTCBG-QHCPKHFHSA-N 484.487 4.375 50 10 JIGE CC[C@@H](NC(=O)Cc1nc(-c2cccc(F)c2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866658698 ZSIHYAQKKWMJLY-LJQANCHMSA-N 452.511 4.438 50 10 JIGE BrC[C@@H]1CCCCN1c1ncc(I)cc1Br 1988540074 UEBIBQBNLVXFOG-VIFPVBQESA-N 459.951 4.203 50 10 JIGE CC(C)(C)OC(=O)NCCCN(C(=O)CCBr)c1cccc(Br)c1 1999491597 GRKYWYNMXODYNX-UHFFFAOYSA-N 464.198 4.482 50 10 JIGE O=C(c1scc(Br)c1Br)N1CC[C@H]2[C@H](C1)[C@@H]2CBr 2032236169 ZKOIEOBSQFNGMG-PRJMDXOYSA-N 458.013 4.376 50 10 JIGE C[C@@](CCl)(NC(=O)c1ccc(Br)cc1I)C(F)F 2086148810 GJZZAQMMUMFZHJ-NSHDSACASA-N 452.464 4.046 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H]2[C@@H](CBr)C[C@H]2C1 2117683988 UHDJDBDKXJJUNG-OUAUKWLOSA-N 498.984 4.157 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H]2CC(Cl)C[C@H]2C1 2128655722 XZPPXKQXDHCWHM-UWVGGRQHSA-N 454.533 4.143 50 10 JIGE O=C1c2ccccc2C(=O)N1CCCc1nccn1-c1cc(F)cc(F)c1CBr 2227543565 PVQQSWHHAPTKCC-UHFFFAOYSA-N 460.278 4.274 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2C[C@@H](F)C[C@@H](Br)C2)cc1Br 2234680377 YPSYEBBXFLDAAI-BDAKNGLRSA-N 494.018 4.016 50 10 JIGE COc1ccc(C=CC(=O)Oc2ccc(C=NNC(=O)COc3ccc(C)cc3C)cc2)cc1 2297498960 RYEIGPAOUXCEHA-UHFFFAOYSA-N 458.514 4.460 50 10 JIGE Cc1sc(Br)cc1S(=O)(=O)N[C@H](CCCl)COCc1ccccc1 2303761883 JDUWTXFIPONCEJ-CQSZACIVSA-N 452.823 4.312 50 10 JIGE O=S(=O)(Cc1ccsc1Br)N[C@H](CCCl)COCc1ccccc1 2303768792 RWOJBSNPHLVRJM-OAHLLOKOSA-N 452.823 4.144 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H]2C[C@H](Br)[C@H]1C2 2309945095 UYVMHTIOERLLNU-INNHCVQGSA-N 484.957 4.052 50 10 JIGE O=C(C=Cc1cccc2ccccc12)NC(=S)NNC(=O)COc1ccc2ccccc2c1 2313616928 ZTLYKPOWXQBBBE-UHFFFAOYSA-N 455.539 4.107 50 10 JIGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 2314737120 MXSWUKPUTQXXED-UHFFFAOYSA-N 457.442 4.046 50 10 JIGE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NN=Cc1ccc(-c2ccc(C(=O)O)cc2)o1 2328798602 UKTWRFMPSULPER-NRFANRHFSA-N 477.517 4.231 50 10 JIGE O=S(=O)(c1ccsc1CBr)N1CC[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2331091779 FBIZQSNABSJQNZ-DLBZAZTESA-N 455.443 4.071 50 10 JIGE Cc1ccc(C(O)(C(=O)NN(C(=O)c2ccncc2)c2ccccc2)c2ccc(C)cc2)cc1 858891 SPAAVPGJNBFAQW-UHFFFAOYSA-N 451.526 4.313 50 10 JIGE Cc1cc(Br)cc(C)c1OCC(=O)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 12490022 DHIVUNWGKBDWOA-LBPRGKRZSA-N 490.181 4.366 50 10 JIGE CCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc2ccccc2c1 14652651 QRFJJADATYIHLL-UHFFFAOYSA-N 457.324 4.231 50 10 JIGE CC(C)Oc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc2ccccc2c1 14667968 LFKXUFZHYBDFIW-UHFFFAOYSA-N 457.324 4.230 50 10 JIGE Cc1c(-c2ccccc2)oc2c(C(=O)NNC(=O)c3cn(C)c4ccccc34)cccc2c1=O 15092902 WQGWFYXHQKQDFT-UHFFFAOYSA-N 451.482 4.335 50 10 JIGE O=C(N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O)c1ccccc1OCc1ccccc1 27528217 MUHAHEFTPKPUBY-FSJBWODESA-N 470.279 4.406 50 10 JIGE C=CCNC(=O)/C(C#N)=C\c1c(Oc2ccc(Cl)cc2Cl)nc2c(C)cccn2c1=O 33590881 SIECKYKKLXZKPH-UVTDQMKNSA-N 455.301 4.311 50 10 JIGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc([N+](=O)[O-])cc3)ccc2[C@H]1c1ccc(Cl)cc1 38651351 LBMFSZWMFQVANV-HSZRJFAPSA-N 477.860 4.451 50 10 JIGE N#C/C(=C/c1ccc(OCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1)c1nc2ccccc2[nH]1 50568369 CAQJCDWQYPJPRQ-FXBPSFAMSA-N 479.540 4.481 50 10 JIGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)N/N=C(\C)c1cccnc1 59261090 ZAHYXBMMUCXHJR-WBILBPDKSA-N 470.002 4.146 50 10 JIGE O=C(NNC(=O)c1cc(-c2ccco2)nc2ccccc12)c1ccc[nH]/c1=N\c1cccc(F)c1 107921773 IUFAVRPZHNNPSC-UHFFFAOYSA-N 467.460 4.269 50 10 JIGE CCOC1=CC=C/C(=C\NNC(=O)CSc2nc3ccccc3n2Cc2ccc(C)cc2)C1=O 136014495 MBSMRCKHMVZSEI-HMMYKYKNSA-N 474.586 4.049 50 10 JIGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1ccc([N+](=O)[O-])c(C)c1 206678055 YZJZQZKLKIACNA-UNOMPAQXSA-N 475.457 4.338 50 10 JIGE CC(C)C[C@H](Br)CNS(=O)(=O)c1cc(Br)ccc1Br 226269669 RCICRLBLUGRLMF-JTQLQIEISA-N 478.044 4.300 50 10 JIGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)C(=O)Nc2ccccc2)cc1 254579639 YQVXSEKOCQYKTD-UHFFFAOYSA-N 467.481 4.156 50 10 JIGE Cc1cc(CCl)cc(S(=O)(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)c1Br 312778309 AHNQXEURXQGIDH-GOSISDBHSA-N 471.848 4.391 50 10 JIGE C[C@@H]1CN(C(=O)c2ccc(I)c(Br)c2)CC[C@@H]1Br 721606967 BPTDABPOSKORCD-SCZZXKLOSA-N 486.973 4.299 50 10 JIGE COc1cccc([C@@H](C)N2CCN(C(=O)/C(C#N)=C\c3cn(CCC#N)nc3-c3ccccc3)CC2)c1 728890709 CCWNNAYKUMPREQ-ZYGWBPEKSA-N 494.599 4.285 50 10 JIGE CN(C(=O)OC(C)(C)C)[C@@H]1Cc2cc(F)ccc2C1=NNC(=O)Nc1ccc2c(c1)OC(F)(F)O2 1088687213 DTVNPFGNNJSISQ-MRXNPFEDSA-N 492.454 4.465 50 10 JIGE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(OC)c(OC)c1 1641103347 CCSLXGDIIQCDOB-PRWZSFCXSA-N 457.534 4.098 50 10 JIGE Cc1c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])oc2c1C(=NNc1ccccc1)CC(C)(C)C2 1772729402 MPQBLIUQYZVEAC-UHFFFAOYSA-N 475.505 4.360 50 10 JIGE Cc1ccc(C(=O)NN=C2CCCc3oc(C(=O)NNC(=O)c4ccccc4Cl)c(C)c32)cc1 1772745364 YXLYAZNCARRKJN-UHFFFAOYSA-N 478.936 4.095 50 10 JIGE CCOC(=O)c1c(NC(=O)NN=Cc2cc(Br)ccc2O)sc2c1CCC2 1772752993 UWSPXEYWQMSKLJ-UHFFFAOYSA-N 452.330 4.037 50 10 JIGE CC(C)OC(=O)c1ccc(NC(=O)COc2cccnc2NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 1858683979 CIRTYVGVRZXPOC-UHFFFAOYSA-N 494.460 4.183 50 10 JIGE CCc1nn(Cc2ccccc2F)c2c1[C@H](c1cc(Cl)c(O)c(OC)c1)C(C#N)=C(N)O2 1865707185 QDYMFZDBIZXALC-LJQANCHMSA-N 454.889 4.219 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@H]2CC[C@]2(CBr)C1 1903892290 XBASEFDUYBIGLL-YGRLFVJLSA-N 498.984 4.301 50 10 JIGE O=C(Cc1ccccc1I)NC[C@H]1CC[C@H](CBr)CC1 1922689342 GTSATOVLZQPCKM-JOCQHMNTSA-N 450.158 4.151 50 10 JIGE O=C(c1ccc(Br)cc1Br)N1C[C@H](Br)[C@@H](Br)C1 2019466808 UYKWNNXBBOBFHF-UWVGGRQHSA-N 490.815 4.194 50 10 JIGE C[C@@H]1C[C@@H](CBr)CN1C(=O)c1ccc(I)c(Br)c1 2038874199 OCGILCKIBNSRKX-BDAKNGLRSA-N 486.973 4.299 50 10 JIGE C[C@H]1CN(Cc2ccccc2)[C@H](C)CN1S(=O)(=O)c1cc(CCl)oc1Br 2095830363 CTXMVPBDNKMPSW-KGLIPLIRSA-N 461.809 4.064 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CC[C@H](CCl)C12CC2 2133824060 AQUVVUINFQKKSH-SECBINFHSA-N 454.533 4.287 50 10 JIGE O=C(c1sccc1I)N1CC[C@@H]2CC[C@H](Br)C[C@H]2C1 2139238224 MORXCHLVVADTIB-DCAQKATOSA-N 454.171 4.378 50 10 JIGE BrCc1cc(Br)cc(Br)c1OC[C@@H]1OC[C@H]2CCO[C@H]12 2145933544 IQUQWLRBKUKCID-XOZVTBISSA-N 470.983 4.289 50 10 JIGE O=C(c1cc(I)ccc1O)N1CCC[C@@H](CCCBr)C1 2234182568 STAGATFAUQFBRU-LLVKDONJSA-N 452.130 4.024 50 10 JIGE COc1cc(OC)c([C@H](Br)c2cc(Br)n(C)n2)cc1Br 2295432815 MGXCCKIFTLGOGZ-ZDUSSCGKSA-N 468.971 4.447 50 10 JIGE COc1ccc(-n2c(C)cc(C=C(C#N)C(=O)N[C@H](C)c3ccc(-n4cncn4)cc3)c2C)cc1 2297413573 VAAUGRVFJHFNCA-LJQANCHMSA-N 466.545 4.468 50 10 JIGE CC(C)(C)OC(=O)NC[C@](C)(CI)O[C@@H]1CCCCC12CCOCC2 2319694604 ZDEBGTCRQQGBCW-QAPCUYQASA-N 467.388 4.461 50 10 JIGE CO[C@@H]1C[C@H](CBr)N(Cc2ccc(I)c(Br)c2)C1 2325208340 VNFNWEHZCKZJRL-GHMZBOCLSA-N 488.989 4.038 50 10 JIGE COC(=O)c1c(NC(=O)[C@@H](CC(C)C)N2C(=O)c3ccccc3C2=O)sc(C(C)=CC#N)c1C 2331557564 KYABVIHGZVBAAL-GOSISDBHSA-N 479.558 4.419 50 10 JIGE COc1ccc(C=NNC(=O)COc2c(C)cc(C)cc2Br)cc1Br 20101007 AAHONFJJIZXIQE-UHFFFAOYSA-N 470.161 4.366 50 10 JIGE CCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(C(=O)OC)cc1 38683680 PEGCJQTWHRGYFB-XMMPIXPASA-N 470.481 4.309 50 10 JIGE COc1cccc(C(=O)N/N=C2\C(=O)N(CCc3ccccc3)c3ccc(Br)cc32)c1 59148820 RYMTZADPLNACII-ROMGYVFFSA-N 478.346 4.181 50 10 JIGE Cc1ccc(C(=O)NNC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Cl)cc2)CCC3)cc1 101594725 YQFSMXODRGNZFD-ZXVVBBHZSA-N 478.936 4.095 50 10 JIGE O=C(CNC(=O)c1ccc(F)cc1)NN=Cc1c(OC(=O)c2ccccc2)ccc2ccccc12 254435195 ZPQDLAVHVGDNHI-UHFFFAOYSA-N 469.472 4.078 50 10 JIGE O=C(NN=Cc1ccccc1O)c1csc(-n2nc(C(F)(F)F)cc2-c2ccccc2)n1 254751220 KPKSZJVXEUTWBH-UHFFFAOYSA-N 457.437 4.484 50 10 JIGE COc1ccc(C=NNC(=O)CCCCCCCC(=O)NN=Cc2ccc(OC)cc2)cc1 254849646 QNOVMQMSHUTQKF-UHFFFAOYSA-N 452.555 4.035 50 10 JIGE C[C@H]1CN(S(=O)(=O)c2cc(Br)cc(CCl)c2F)CCN1Cc1ccccc1 396371098 NIHNMEOCGKXKLL-AWEZNQCLSA-N 475.811 4.222 50 10 JIGE CCOC(=O)[C@@H]1CCCN(C(=O)Nc2ccc(C(=O)Nc3ccc(SC#N)cc3)cc2)C1 586661272 IGHBJKPPHDKXJZ-QGZVFWFLSA-N 452.536 4.319 50 10 JIGE CCCn1nnnc1COc1c(Br)cc(CBr)cc1Br 697807952 KFYQRUGVOATCAK-UHFFFAOYSA-N 468.975 4.082 50 10 JIGE CCOc1cc(/C=C(/C#N)C(=O)OC)cc(I)c1OCc1ccccc1C#N 1081085403 CJYLFPFUKJOBAA-IUXPMGMMSA-N 488.281 4.221 50 10 JIGE COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OC 1084175285 ZVNKXDZGCLSKCY-OVCLIPMQSA-N 462.287 4.471 50 10 JIGE C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)N/N=C/c4ccc(C(F)(F)F)cc4)c(=O)c23)C1 1860773748 DDOMPHDTEJGGMG-BJZHADJJSA-N 462.497 4.313 50 10 JIGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccccc2C(=O)O)cc1 1865703519 AGOLEWNNFVDNRL-QFIPXVFZSA-N 464.481 4.464 50 10 JIGE CCC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(CCC(C)C)C2=O)C(=O)Nc1ccc(SC#N)cc1 1866617270 FRECWLCJSIAVRT-JOCHJYFZSA-N 492.601 4.439 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@@H]2CC[C@@]2(CCl)C1 1903930255 DPSBUAIBZDOILZ-LKFCYVNXSA-N 454.533 4.145 50 10 JIGE CC(C)[C@H](CBr)N(Cc1ccccc1)c1ncnc(O)c1I 1915300488 OMASOWXRSZQGGJ-ZDUSSCGKSA-N 476.156 4.213 50 10 JIGE CC(C)(C)OC(=O)N1CC(N(Cc2ccccc2)S(=O)(=O)c2cccc(CCl)c2)C1 1977936649 JXHBVKPQGHBRMQ-UHFFFAOYSA-N 450.988 4.236 50 10 JIGE CCOc1cc(I)c(C(=O)CBr)c(OC(F)(F)F)c1 2055077558 HXMMLBMNWDLLSV-UHFFFAOYSA-N 452.992 4.166 50 10 JIGE CC(C)[C@H](Br)[C@H](C)NS(=O)(=O)c1cc(Br)ccc1Br 2103004892 JMUYFPIBSILHES-UFBFGSQYSA-N 478.044 4.298 50 10 JIGE O=C(N[C@@H]1CC[C@H]2C[C@]21CBr)c1cc(I)ccc1Br 2132117812 YWQMZYKFIUGFTI-PELMWDNLSA-N 498.984 4.347 50 10 JIGE CN([C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)S(=O)(=O)c1ccc(CBr)cc1 2163050683 LYUCRYYWTOAGMQ-HZPDHXFCSA-N 461.422 4.038 50 10 JIGE Cc1cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC[C@@H]2C)ccc1CBr 2179785979 TTYBESZMFVARMS-SFHVURJKSA-N 451.430 4.175 50 10 JIGE CCN(CCCOCc1ccccc1)S(=O)(=O)c1ccc(OC)c(CBr)c1 2179859355 CMBRVSDJPGDKGP-UHFFFAOYSA-N 456.402 4.208 50 10 JIGE Cc1ccc(C(=O)N2CC[C@@H](CBr)C(F)(F)C2)cc1I 2232833688 DIOPEQGEUWJKIS-NSHDSACASA-N 458.084 4.092 50 10 JIGE CCN(C[C@@](C)(CI)O[C@H](C)COC(F)F)C(=O)OC(C)(C)C 2242771867 CLOVUJWAQURNRV-IAQYHMDHSA-N 451.292 4.081 50 10 JIGE COC[C@@]1(CBr)C=CCN1C(=O)c1cccc(Br)c1Br 2379837992 QDZSHMXCUQTWJF-AWEZNQCLSA-N 467.983 4.004 50 10 JIGE Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 12576989 AGEAZXVIFZNERH-LBPRGKRZSA-N 472.756 4.289 50 10 JIGE Cc1cc(OCC(=O)NNC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)cc(C)c1Cl 13979836 GTFSINCWOFMTMM-UHFFFAOYSA-N 467.978 4.338 50 10 JIGE COc1ccc(C(=O)NNC(=O)c2ccc(OCCc3ccccc3)cc2)cc1Br 14041595 MNLLLBYUWNOAFG-UHFFFAOYSA-N 469.335 4.154 50 10 JIGE Cc1ccc(C(=O)NNC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)cc1 14669659 OUEYSCIKWGKCAI-UHFFFAOYSA-N 453.336 4.454 50 10 JIGE CC(C)(CCl)C(=O)N1CCN(C(=O)CN2CCc3sccc3[C@H]2c2ccc(Cl)cc2)CC1 34787455 HYLYLLFTRNBTJX-JOCHJYFZSA-N 494.488 4.285 50 10 JIGE CCc1cc(Br)ccc1OCC(=O)N/N=C/c1ccc(OC)c(Br)c1 40959787 BWHIKRQEGJQLBG-UFFVCSGVSA-N 470.161 4.312 50 10 JIGE COc1ccc(-n2c(SCC(=O)NN=C(C)c3ccccc3O)nnc2-c2ccccc2)cc1 254304827 AYKQSLOHFHLGRW-UHFFFAOYSA-N 473.558 4.281 50 10 JIGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccccc3C)cc2OCC)cc1 254372560 PRNVTPNJYRJKJI-UHFFFAOYSA-N 489.528 4.100 50 10 JIGE CCOC(=O)c1c(NC(=O)NN=Cc2ccc(O)c(Br)c2)sc2c1CCCC2 256017305 DJGMNPMSCAKNKH-UHFFFAOYSA-N 466.357 4.427 50 10 JIGE Cn1cncc1CC(CBr)(CBr)c1cccc(Br)c1 401891806 XWXJOTAULJLGNP-UHFFFAOYSA-N 451.000 4.453 50 10 JIGE BrCc1cc(Br)cc(Br)c1OC[C@@H]1C[C@H]2COC[C@@H]2O1 724602887 DGLIMRPHOCMWQN-GAFUQQFSSA-N 470.983 4.289 50 10 JIGE COc1ccc(N(CC(=O)NN=Cc2ccc(OCC(C)C)cc2)S(=O)(=O)c2ccccc2)cc1 1084590163 PNOZGGGZGGSNQU-UHFFFAOYSA-N 495.601 4.076 50 10 JIGE C[C@H](Oc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1F)C(=O)Nc1ccc(F)cc1 1858685245 JINFFWBIFPLVBU-LBPRGKRZSA-N 458.377 4.285 50 10 JIGE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OC(=O)c2ccccc2)c(OC)c1 1865705495 WZSCLGCYTUYHNM-SFHVURJKSA-N 484.434 4.368 50 10 JIGE O=C(NC[C@H](Br)CBr)c1cc(Br)ccc1Br 1981565621 NWJIEBSIXKUQDQ-SSDOTTSWSA-N 478.804 4.100 50 10 JIGE C[C@@H](Br)C(=O)N(CCCNC(=O)OC(C)(C)C)c1cccc(Br)c1 1999491192 BPNYUEWLAIKGQO-GFCCVEGCSA-N 464.198 4.480 50 10 JIGE C[P@]1(=O)C[C@H](Br)[C@H](NC(=O)c2cc(Br)sc2Br)C1 2057665095 FYSFLKSSMYGUPR-KITDARMDSA-N 479.956 4.142 50 10 JIGE CC(C)(C)OC(=O)N1CCC(CI)(OC[C@H]2C[C@]23CCCOC3)CC1 2077653947 MBCZBFYAXVNMHN-QAPCUYQASA-N 465.372 4.024 50 10 JIGE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(F)(F)F)CCN1C[C@@H](Br)C(F)(F)F 2107581542 DNQFLFFHKLNOBO-OUAUKWLOSA-N 457.253 4.480 50 10 JIGE O=C(NC[C@]1(F)C[C@@H](CCl)C1)c1ccc(I)c(Br)c1 2112250594 HFOSQDWJJKIERN-KTLJEJPDSA-N 460.512 4.141 50 10 JIGE CN(C[C@@H](Br)C1CCCC1)C(=O)c1cc(I)ccc1O 2167646898 NJQPMQYMXISKLP-CYBMUJFWSA-N 452.130 4.023 50 10 JIGE O=C(c1cc(I)ccc1F)N1[C@H]2CCC[C@H]1CC(Br)C2 2169666647 WCDBBGSETLZGKO-RYUDHWBXSA-N 452.105 4.351 50 10 JIGE Cc1cc(S(=O)(=O)N(Cc2ccccc2)C2CCN(C)CC2)ccc1CBr 2179784650 BWGZUSPZZFZJDO-UHFFFAOYSA-N 451.430 4.175 50 10 JIGE Cc1ccc(C(=O)N2CC[C@@H](CCBr)[C@@H](C)C2)cc1I 2232830082 KTVVTFIVAMIUJD-QWHCGFSZSA-N 450.158 4.483 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC2(C3CCCC3)COC2)C1 2260116944 JDYJMVQXYRZQBU-GOSISDBHSA-N 465.372 4.167 50 10 JIGE C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)C(C#N)=C3Nc4ccccc4S3)cc2)C1 2297476683 IUCWAHAWAPQOON-HOTGVXAUSA-N 453.589 4.489 50 10 JIGE CC(C)(CI)CN1CCC[C@@]1(CNC(=O)OC(C)(C)C)C(F)(F)F 2306818839 OGQAWFSLYJLLQV-OAHLLOKOSA-N 464.310 4.369 50 10 JIGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)C=Cc3ccco3)cc2)cc1 2313617040 WHQWMWXRYIBYEK-UHFFFAOYSA-N 490.585 4.178 50 10 JIGE CC[C@@H](Oc1cccc(C)c1)C(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 14023430 MDZYAXCXGRBMHS-LJQANCHMSA-N 477.399 4.439 50 10 JIGE COc1ccccc1NC(=O)/C(C#N)=C/c1c(Oc2ccc(F)cc2)nc2ccccn2c1=O 39992966 HEVJTGFMEMSJCW-JQIJEIRASA-N 456.433 4.180 50 10 JIGE Cc1ccc(Cl)cc1Nc1ncnc(NNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1[N+](=O)[O-] 40592859 HPLKEXIOKOXYRS-UHFFFAOYSA-N 478.252 4.409 50 10 JIGE O=S1(=O)CC[C@@H]([C@H](Br)c2cc(Br)sc2Br)C1 96846614 FYZXSNIVVQGPEV-XRGYYRRGSA-N 453.015 4.144 50 10 JIGE COc1cc(C=NNC(=O)CSCc2cccc(Br)c2)cc(Br)c1O 252629447 UGAAEFVGKJKDLY-UHFFFAOYSA-N 488.201 4.309 50 10 JIGE C=CCc1ccccc1OCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OC)c(OC)c2)cc1 254350631 MOASYPPTOIJPCW-UHFFFAOYSA-N 474.513 4.181 50 10 JIGE Cc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(C(=O)O)cc3)n2-c2ccc(C)cc2)cc1 254577151 JHGFPEPLIBOBRM-UHFFFAOYSA-N 485.569 4.492 50 10 JIGE COc1cc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1OC(=O)c1ccccc1 254838321 BXURZJCMUBCADQ-UHFFFAOYSA-N 480.520 4.301 50 10 JIGE CCCOO[C@@H]1[C@H](Sc2ccc(C)cc2)O[C@H](C(=O)OC)[C@@H](OOCCC)[C@H]1OOCCC 261508189 QIJWYGJWRKDWCZ-FLQYYVGBSA-N 488.599 4.165 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2CC[C@](C)(CBr)C2)cc1Br 381589947 LFMFLHGGNTULFY-CYBMUJFWSA-N 490.055 4.316 50 10 JIGE Cc1cc(C(=O)/C(C#N)=C\c2cnn3ccccc23)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O 729641745 VPZIVFNRKQGYTN-QNGOZBTKSA-N 476.540 4.330 50 10 JIGE N#CCCn1cc(/C=C(/C#N)C(=O)OCC(=O)Nc2ccccc2)c(-c2ccc(Cl)cc2)n1 782094393 FTUYJPIYPVGHEA-AQTBWJFISA-N 459.893 4.206 50 10 JIGE Cc1cc(/C=C(/C#N)C(=O)OCC(=O)Nc2ccccc2[N+](=O)[O-])c(C)n1-c1ccc(F)cc1 786604642 AHLFXBGKCXCOGQ-PDGQHHTCSA-N 462.437 4.230 50 10 JIGE N#CCCn1cc(/C=C(\C#N)C(=O)N2CCN(C3CCCC3)CC2)c(-c2ccc(Cl)cc2)n1 914574278 HMHCBDVPJPIBQY-CAPFRKAQSA-N 462.985 4.111 50 10 JIGE COc1cc(C(=O)NN=Cc2ccc(-c3ccc(C(=O)O)cc3)o2)ccc1I 1082988565 RVRGQTVKSSCBST-UHFFFAOYSA-N 490.253 4.022 50 10 JIGE CCOc1ccc(N(CC(=O)NN=Cc2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1083915722 MTJJGYKDHMIKCK-UHFFFAOYSA-N 489.956 4.223 50 10 JIGE COc1cccc(C=NNC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)c1 1084422476 AWBDKBGIQBFGPX-UHFFFAOYSA-N 471.966 4.003 50 10 JIGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccccc2N2CCc3ccccc32)cc1 1310081604 DMAIATLXAVDLOH-GOSISDBHSA-N 458.518 4.204 50 10 JIGE C#Cc1cccc(NC(=S)NNC(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)c1 1471691319 YGTRGSDYPNHHFR-UHFFFAOYSA-N 451.555 4.211 50 10 JIGE CCOc1cc([C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CI)ccc1OC 1614688113 JAUXFQNJNBTLSR-HUUCEWRRSA-N 461.340 4.479 50 10 JIGE CC(=O)c1cccc(O[C@@H](C)C(=O)NNc2c(Br)cccc2Br)c1 1635100324 POWFWYPJBOLQOB-NSHDSACASA-N 456.134 4.325 50 10 JIGE Cc1c(C(=O)NCCCn2ccnc2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772747968 MOVZWZLBUPBZSY-UHFFFAOYSA-N 488.375 4.382 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(F)c2)[C@H]1c1ccccc1[N+](=O)[O-] 1865709940 KQUXKKPBBAFNAS-INIZCTEOSA-N 459.359 4.216 50 10 JIGE COC(=O)c1ccccc1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1=O 1873940908 MREKLZIQZYUWKO-VGLIXDPASA-N 490.497 4.351 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@H]2CC[C@]2(CCl)C1 1903930076 CXNYBKFHWPURGJ-OTYXRUKQSA-N 454.533 4.145 50 10 JIGE BrC[C@H](C1CC1)N(Cc1ccccc1)c1ncncc1I 1915167450 VZDBYWHBHVLDEB-OAHLLOKOSA-N 458.141 4.261 50 10 JIGE O=C(c1cc(Br)c(Br)s1)N1C[C@H](Br)[C@@H](Br)C1 1990922357 RJAONEJASHMGMT-WDSKDSINSA-N 496.844 4.256 50 10 JIGE CC(C)[C@H](Br)CCNS(=O)(=O)c1cc(Br)ccc1Br 2090377023 OJFVYALKCMWMEY-SNVBAGLBSA-N 478.044 4.300 50 10 JIGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1CC(CCBr)C1 2095987273 BLLKVDFUCXTKBB-UHFFFAOYSA-N 451.995 4.161 50 10 JIGE Cc1sc(Br)cc1S(=O)(=O)N[C@H](C)CCCCCI 2117895124 PHNYHGRGXIWIFF-SECBINFHSA-N 480.231 4.481 50 10 JIGE Cc1csc(CBr)c1S(=O)(=O)N1C[C@@H](C)N(Cc2ccccc2)C[C@@H]1C 2123244361 VKBLUICSTFTPJV-CVEARBPZSA-N 457.459 4.235 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2CC[C@H]2[C@@H](C)Br)cc1Br 2125818126 MSCZSPSUTRCJCT-KCJUWKMLSA-N 476.028 4.066 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CC2(CC2)C[C@H]1CBr 2142281327 OVLXWNYUVQNLOT-JTQLQIEISA-N 498.984 4.443 50 10 JIGE Cc1cc(CBr)ccc1S(=O)(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C 2179789534 RVBPDMAHVJBUPR-SFHVURJKSA-N 451.430 4.175 50 10 JIGE O=C(N[C@H]1C(F)(F)C12CC(NC(=O)c1ccc(CBr)cc1)C2)OCc1ccccc1 2207128052 GNXPMHKDHWNJNR-MOMVYJMYSA-N 479.321 4.404 50 10 JIGE O=S(=O)(N[C@@H](CCCl)COCc1ccccc1)c1ccc(Br)cc1F 2320666053 PLORLMZMCHYOAG-HNNXBMFYSA-N 450.757 4.081 50 10 JIGE C[C@](N[C@H]1C[C@H](Br)C1)(C(=O)O)c1cc(Br)c(Br)s1 2324876497 IIPDFUDHMBSDME-WHHMAUIRSA-N 462.001 4.088 50 10 JIGE COCCOc1ccc(C=C(C#N)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 2331122118 NDYBQCBTCZDGGY-HHHXNRCGSA-N 476.621 4.028 50 10 JIGE C[C@H](Br)C[C@H]1COCCN1Cc1cc(I)ccc1Cl 2352414768 YEMWFXBKYRKQJK-GWCFXTLKSA-N 458.565 4.319 50 10 JIGE CC(C)(C)OC(=O)NCC[C@@H]1CCN(C(=O)[C@H]2C[C@H](Br)C2)[C@H](C(F)(F)F)C1 2362758813 YZFLAWMXSMDDQN-SYQHCUMBSA-N 457.331 4.244 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1[C@H]2CC[C@H]1[C@H](F)[C@H](Br)C2 2365584117 KTIGAYZOGLYJHG-YPWHJJHSSA-N 472.523 4.423 50 10 JIGE CC1(C)CC(CBr)(CN2C[C@@H](NC(=O)C(F)(F)F)CC[C@@H]2C(F)(F)F)C1 2371131722 QYBSFUKEVCHKNR-WDEREUQCSA-N 453.265 4.262 50 10 JIGE COc1cc(/C=N/NC(=O)c2ccc(C)cc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 849650 XNWDTBRYXTYLAA-JFLMPSFJSA-N 478.501 4.013 50 10 JIGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(=O)OC)cc2)cc1 38683500 RCJOTKMRJNREEO-VWLOTQADSA-N 482.492 4.475 50 10 JIGE CC(=O)c1cccc(Nc2ncnc(NNC(=O)C(c3ccccc3)c3ccccc3)c2N)c1 40705426 HFJAMRGBNBXXRY-UHFFFAOYSA-N 452.518 4.280 50 10 JIGE COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NC[C@@H](O)c3ccc(F)c(F)c3)c2C)cc1 58218512 JUDOZHZZEBTKPX-RILCYTOFSA-N 451.473 4.138 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1CCC[C@@H]1CCBr 382104124 PRDOPPZNXAUOAO-SNVBAGLBSA-N 476.028 4.150 50 10 JIGE O=C(c1cccc(F)c1I)N1[C@H]2CC[C@H]1CC(CBr)C2 721684158 LZZCZZPPRCXLQU-QWRGUYRKSA-N 452.105 4.208 50 10 JIGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NN=C1C(=O)N(CCN2CCCCC2)c2ccccc21 1084134886 RBGNLQHDCCKVFX-MRXNPFEDSA-N 489.403 4.114 50 10 JIGE CO[C@@H]1[C@H](Br)CC[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 1535644791 PFNMFJBWDPFIRE-HSALFYBXSA-N 460.324 4.221 50 10 JIGE C=CCn1c(SCC(=O)NNC(=O)Nc2ccccc2C)nnc1-c1ccc(Cl)cc1 1568225656 JNJWHQPTKDGGTK-UHFFFAOYSA-N 456.959 4.038 50 10 JIGE CC(C)(C)OC(=O)N[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1N1CCc2ccccc2C1 1857785214 XOAMPNVTZRIHLP-MLNNCEHLSA-N 462.707 4.462 50 10 JIGE CN(C[C@H]1C[C@@H](Br)C1)[C@H](CN)c1c(Br)cccc1Br 1887892161 CKCYRFBRBRAADP-GBIKHYSHSA-N 455.032 4.317 50 10 JIGE CCn1cc(C(=O)N(Cc2ccccc2)[C@@H](CBr)C2CC2)nc1Br 1915315579 XICXFOHDMHLJLU-INIZCTEOSA-N 455.194 4.481 50 10 JIGE C[C@H]1CCN(c2ncc(I)cc2Br)C[C@H]1CBr 2015763429 YINYAFXTHRJPMF-DTWKUNHWSA-N 473.978 4.306 50 10 JIGE CCN1CC[C@H]([C@H](Br)c2csc(Br)c2Br)S1(=O)=O 2032953591 MIKPPRNALXCDCY-HTQZYQBOSA-N 482.057 4.133 50 10 JIGE O=C(c1scc(Br)c1Br)N1C[C@H](CBr)OC2(CCC2)C1 2165769409 ZAVUHYFIFXUQPA-QMMMGPOBSA-N 488.039 4.432 50 10 JIGE CC(F)(F)C[C@@H](CBr)NS(=O)(=O)c1cc(Br)ccc1Br 2169537269 HLUZXMHNWICBFN-QMMMGPOBSA-N 499.997 4.299 50 10 JIGE FC(F)(F)c1cnc(N2C[C@@H]3CC[C@]3(CBr)C2)c(I)c1 2198864413 DCTRCFILFINOOL-UFBFGSQYSA-N 461.063 4.316 50 10 JIGE C[C@@]1(CBr)COCCN(C(=O)c2cc(Br)ccc2Br)C1 2199825470 PHNXYEFLVDRCES-AWEZNQCLSA-N 469.999 4.085 50 10 JIGE O=S(=O)(C1CCC(CBr)CC1)N1[C@H]2CCC[C@@H]1CN(Cc1ccccc1)C2 2234690016 NKLMBAWEGNELSP-DLIHROTGSA-N 455.462 4.009 50 10 JIGE C=CCNC(=O)C(C#N)=Cc1ccc(OC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)c(OC)c1 2293198145 YSONDQMIMAEVDL-MRXNPFEDSA-N 454.910 4.239 50 10 JIGE O=C(C=Cc1ccccc1Cl)NC(=S)NNC(=O)COc1ccccc1-c1ccccc1 2313625060 TXNPCMJAIDUVRZ-UHFFFAOYSA-N 465.962 4.121 50 10 JIGE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccc(OC(=O)c2ccc(F)cc2)cc1 2328833166 QUWTVIJJGQUTJL-FQEVSTJZSA-N 457.502 4.044 50 10 JIGE N#CC(=C(O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1nc(-c2ccc(F)cc2F)cs1 2331293050 LIGZVNHGHSFASI-UHFFFAOYSA-N 468.397 4.085 50 10 JIGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NCC[C@H]1CCCC[C@@H]1Br 2364191063 SOAMIQUQLLLTAI-XLIONFOSSA-N 499.471 4.106 50 10 JIGE O=C(NC(=S)NNC(=O)C(c1ccccc1)c1ccccc1)c1cc(Cl)cc(Cl)c1 10505898 MACYOWWOPSLYAP-UHFFFAOYSA-N 458.370 4.461 50 10 JIGE C=CCOc1ccccc1C(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 14649961 PWQYDHGITGZLAY-UHFFFAOYSA-N 461.356 4.151 50 10 JIGE Cc1nn(-c2cccc(F)c2)c(N2CCN(C(C)C)CC2)c1CN(C(=O)[C@@H](C)Cl)C(C)C 34835729 JOUVQNZGEAADOC-GOSISDBHSA-N 464.029 4.215 50 10 JIGE O=C(NNc1ncnc(Oc2cccc3cccnc23)c1[N+](=O)[O-])c1ccccc1Br 40618489 FNNGSLLJUYEROJ-UHFFFAOYSA-N 481.266 4.245 50 10 JIGE COc1cccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc([N+](=O)[O-])cc2)CCC3)c1 40812178 NBYPTPHIQKRZIG-LGUFXXKBSA-N 462.462 4.228 50 10 JIGE Nc1nonc1C(=O)NN=Cc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl 252604635 GBPWXYYHPNQYFV-UHFFFAOYSA-N 485.125 4.064 50 10 JIGE N#Cc1cc([N+](=O)[O-])ccc1Oc1cccc(C=NNC(=O)COc2ccc(Cl)cc2)c1 252622795 OCRMNNZRWJCPOT-UHFFFAOYSA-N 450.838 4.441 50 10 JIGE Cc1cc(/C=C(/C#N)C(=O)OCC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)c(C)n1CCC(C)C 728088659 KQVUKEZFSMQHPJ-UTYYKHSJSA-N 463.534 4.204 50 10 JIGE CCOc1ccc(NC(=O)NN=Cc2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)cc1 1083956087 HWLLUVGDCDTTCZ-UHFFFAOYSA-N 464.478 4.045 50 10 JIGE COc1ccc(NC(=O)[C@H](NNC(=O)c2ccc(Br)cc2)c2ccccc2)cc1 1115819309 UKVJWNXYCOIASX-HXUWFJFHSA-N 454.324 4.072 50 10 JIGE COc1cc(OC)cc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)c1 1614811773 WZAOYTXACYYXMM-XLIONFOSSA-N 481.330 4.491 50 10 JIGE Cc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2c1C(=NNC(=O)Cc1ccccc1)CCC2 1772750109 UKAOGGJMMRBMRP-UHFFFAOYSA-N 459.502 4.011 50 10 JIGE Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1 1865712824 JCLFCGPUTSXUTA-KRWDZBQOSA-N 455.396 4.385 50 10 JIGE Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccc(O)c([N+](=O)[O-])c2)cc1 1865714427 KBIHGRJICPMACT-MRXNPFEDSA-N 457.368 4.032 50 10 JIGE COc1ccc(C(=O)NNC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)nc2C)cc1[N+](=O)[O-] 1865759006 DIRMDENLOWYKHD-UHFFFAOYSA-N 475.288 4.355 50 10 JIGE Cc1ccc(SCCCC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 1865852196 OVLCSNSYTNDNKR-IAGOWNOFSA-N 498.674 4.172 50 10 JIGE CCC[C@@H](NC(=O)Cc1nc(-c2ccc3c(c2)OCO3)oc1C)C(=O)Nc1ccc(SC#N)cc1 1867192450 UDXGIDVSDAPETA-LJQANCHMSA-N 492.557 4.418 50 10 JIGE C[C@H](Cl)[C@H](NC(=O)c1cc(I)ccc1Br)C(F)(F)F 1882673315 FMIVVKSLVXVWDG-CDUCUWFYSA-N 470.454 4.342 50 10 JIGE O=C(O)C=Cc1cc(Br)c(OC[C@@H]2C[C@@H]2Br)c(Br)c1 1887908573 SMALKPNCKXTSHG-IUCAKERBSA-N 454.940 4.472 50 10 JIGE C[C@]1(CBr)CCCN1c1ncc(I)cc1Br 1988533999 DMMFZFQOUDPXES-LLVKDONJSA-N 459.951 4.203 50 10 JIGE C[C@@](CBr)(NC(=O)c1ccc(I)c(Br)c1)C1CC1 2029945974 RRUAYJIGGCXGLY-ZDUSSCGKSA-N 486.973 4.347 50 10 JIGE O=C(NC12CC(CBr)(C1)C2)c1ccc(Br)cc1I 2086146449 ZUYSEMDDIDSCDN-UHFFFAOYSA-N 484.957 4.101 50 10 JIGE CS(=O)(=O)c1csc([C@@H](Br)Cc2ccccc2I)c1 2093071368 HQURWLUCLXMDSZ-NSHDSACASA-N 471.179 4.435 50 10 JIGE Cc1csc(CBr)c1S(=O)(=O)N1CCC[C@@H](N(C)Cc2ccccc2)C1 2123237839 RDIGNUXABGYKBF-QGZVFWFLSA-N 457.459 4.237 50 10 JIGE CC(C)[C@@H]1[C@H](Br)CCN1S(=O)(=O)c1cc(Cl)c(Br)s1 2126093400 NIPDMBFVXOKEJX-GMSGAONNSA-N 451.633 4.347 50 10 JIGE O=C(N[C@@]12CC[C@@](CBr)(C1)OC2)c1cc(Br)sc1Br 2133667326 VENVAEQQGUJZKU-RYUDHWBXSA-N 474.012 4.090 50 10 JIGE FC(F)(F)c1cnc(N2CC3(CC3)C[C@H]2CBr)c(I)c1 2155365221 KZROEBFATGCFHK-VIFPVBQESA-N 461.063 4.459 50 10 JIGE O=C(NC1(CBr)CC2(CCC2)C1)c1ccc(F)cc1I 2163542446 QNGOQVVFVITAGG-UHFFFAOYSA-N 452.105 4.258 50 10 JIGE CC1(C)CCCN(C(=O)c2cc(I)ccc2O)[C@H]1CBr 2185808029 PYUZYOIQWXCUOZ-ZDUSSCGKSA-N 452.130 4.023 50 10 JIGE CC1(C)CN(C(=O)c2cc(I)ccc2F)C[C@@H]1CCBr 2238479192 GMHGANKSSUTAES-JTQLQIEISA-N 454.121 4.314 50 10 JIGE CCOC(=O)C(C#N)=C1C(=O)N2c3c(cc(OC(=O)c4ccccc4OC)cc31)C(C)=CC2(C)C 2294335060 BDVLQLUSLUWCHZ-UHFFFAOYSA-N 472.497 4.297 50 10 JIGE Cc1ccc(CNC(=O)C(C#N)=C2NC(=NC(=O)c3cccc(Cl)c3)c3ccccc32)cc1 2296295088 MDKSWCYLERQPLY-UHFFFAOYSA-N 454.917 4.390 50 10 JIGE BrC[C@]12C[C@H]1CN(Cc1ccc(I)c(Br)c1)C2 2306217112 MZHBSSHNJNERQI-GWCFXTLKSA-N 470.974 4.271 50 10 JIGE COc1ccc(N2C(=O)[C@H](Cc3ccccc3F)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314593953 WKPBFWJOAKGOSR-QFIPXVFZSA-N 477.517 4.170 50 10 JIGE COc1ccc(NC=C(C#N)C(=O)Nc2ccc(I)cc2C)cc1OC 2325405744 MDRIVKSXIYAZHA-UHFFFAOYSA-N 463.275 4.075 50 10 JIGE O=C(Cn1c(O)nc2ccccc2c1=O)NN=Cc1cccc(OCc2c(Cl)cccc2Cl)c1 2328808970 LSZQUFGOHABQFZ-UHFFFAOYSA-N 497.338 4.138 50 10 JIGE Cc1cc(Cl)ccc1OCC(=O)NNC(=O)[C@H](C)Oc1c(C)cc(Br)cc1C 14643131 RNVUHHXQTISJEC-AWEZNQCLSA-N 469.763 4.021 50 10 JIGE O=C(Cn1ccc2ccccc21)NNC(=O)c1cc(Br)ccc1OCCc1ccccc1 14776345 BESLFOQWXYHSPA-UHFFFAOYSA-N 492.373 4.487 50 10 JIGE COc1cccc(CN2c3ccccc3C3=C([C@@H](c4ccccc4F)C(C#N)=C(N)O3)S2(=O)=O)c1 20558737 IIHMITNNUCTJIZ-QHCPKHFHSA-N 489.528 4.361 50 10 JIGE COc1ccc(NC(=O)COc2ccc(/C=C(\C#N)c3nc(O)c4ccccc4n3)cc2OC)cc1 34988299 PLLOUEYCMJHDME-QGOAFFKASA-N 482.496 4.434 50 10 JIGE CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(OC)cc3)ccc21 38650494 LNWDCEQKJIKXFB-SANMLTNESA-N 472.497 4.296 50 10 JIGE Cc1c(C(=O)N2CCCCC2)oc2c1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 40823243 NPIDMYRZMXAWNY-LUOAPIJWSA-N 471.373 4.204 50 10 JIGE CCCOC(=O)c1ccc(OCC(=O)NNC(=O)C(C)(C)CCCOc2cc(C)ccc2C)cc1 66201469 VDXMQUVPRNCVDT-UHFFFAOYSA-N 484.593 4.282 50 10 JIGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)/C1=C/Nc1c(Br)cc([N+](=O)[O-])cc1Br 101235232 CAZVLVKGMYJNNF-KPKJPENVSA-N 498.131 4.033 50 10 JIGE CC1=NN(c2ccccc2)C(=O)/C1=C/Nc1ccccc1S(=O)(=O)C(F)(F)[C@@H](F)Cl 102936993 KEUKGAJTGPTHKZ-GPZRYRNASA-N 457.861 4.306 50 10 JIGE CC1(C)C[C@@H](Br)CCN(C(=O)c2ccc(I)c(O)c2)C1 395356892 VHZMOYWCTZYQMP-NSHDSACASA-N 452.130 4.023 50 10 JIGE C[C@H]1C[C@@H](CBr)CN(S(=O)(=O)c2cc(Cl)c(Br)s2)C1 398835649 GYTQPVHHOKJZFX-YUMQZZPRSA-N 451.633 4.206 50 10 JIGE C[C@H](Cl)c1nnc(Nc2cc(I)cc(I)c2)o1 690422101 WBDFWDPUJTYCEV-YFKPBYRVSA-N 475.455 4.322 50 10 JIGE COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N3CCC(NC(=O)c4ccoc4C)CC3)c2C)cc1 727332123 ASGDPEXEQQBTJZ-CJLVFECKSA-N 486.572 4.332 50 10 JIGE CC(C)(C)c1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)Cc3ccccc3)c2)cc1 730767872 QNNGXPAMIYKPLZ-UHFFFAOYSA-N 450.560 4.033 50 10 JIGE CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(C=NNC(=O)[C@@H]2Cc3ccccc3O2)cs1 748142766 VNVOGVPDKBAGKU-IBGZPJMESA-N 474.464 4.300 50 10 JIGE N#CCCn1cc(/C=C(/C#N)C(=O)NC[C@@H]2Cc3ccccc3O2)c(-c2ccc(Cl)cc2)n1 914739632 BDIXSDRWSDCPQP-LPRAYXGFSA-N 457.921 4.144 50 10 JIGE N#CCCn1cc(/C=C(/C#N)C(=O)Nc2nnc(Cc3ccccc3)s2)c(-c2ccccc2)n1 918679531 FLDFYMCFFBBMEY-HKWRFOASSA-N 465.542 4.452 50 10 JIGE COc1ccc(C=NNC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)cc1 1084199359 CZXYTKQNNSNEJP-UHFFFAOYSA-N 465.575 4.042 50 10 JIGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)cc1 1865709015 LKLWVUIIJCKNSZ-QGZVFWFLSA-N 472.398 4.094 50 10 JIGE CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1c(O)ccc2cc(Br)ccc12 1873794948 KRUOYBUIAPASQO-FZJZADEZSA-N 496.427 4.404 50 10 JIGE Cc1nn(CCCl)c(C)c1S(=O)(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1 2034752117 QROOJGFMXSJQAX-UHFFFAOYSA-N 475.058 4.062 50 10 JIGE CCN1CC[C@@H]([C@@H](Br)c2cc(Br)ccc2Br)S1(=O)=O 2089522872 LLIWAJAVNWDBTO-RYUDHWBXSA-N 476.028 4.072 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@H]2CC[C@@]1(CCl)C2 2089723420 SNZKMLSLQBVWKC-XPTSAGLGSA-N 454.533 4.287 50 10 JIGE Brc1cccc(CC[C@H](Br)CN2CCOCC2)c1Br 2099491613 BEJDOOTVHVNOKE-LBPRGKRZSA-N 456.016 4.240 50 10 JIGE Brc1cccc(Br)c1CN1C[C@H]2COC[C@@H](C1)[C@@H]2Br 2132542809 JECGBVQMGFMTPA-MSRIBSCDSA-N 454.000 4.053 50 10 JIGE O=[N+]([O-])c1sc(CBr)cc1N1CCCN(Cc2ccccc2)CCOCC1 2144876080 JCZCKROWMNYXQO-UHFFFAOYSA-N 454.390 4.280 50 10 JIGE CC1(C)C[C@H](N(Cc2ccccc2)S(=O)(=O)c2cc(F)ccc2CBr)CO1 2179787606 RDUSOISTPADWSI-SFHVURJKSA-N 456.377 4.479 50 10 JIGE C[C@@H](NC(=O)c1ccc(Br)cc1I)c1nnc(CCl)s1 2207264503 GHHYILSLUAWTTH-ZCFIWIBFSA-N 486.560 4.135 50 10 JIGE CN(C[C@@H]1C[C@@H]1Br)C(=O)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229119961 ZZPLLDTYAOMQEG-CWRNSKLLSA-N 490.236 4.127 50 10 JIGE C[C@@H](OC(=O)C(C#N)=Cc1ccc(N(C)C)cc1)C(=O)NC(c1ccccc1)c1ccccc1 2297362952 KGNZIBKXQOKZPI-HXUWFJFHSA-N 453.542 4.497 50 10 JIGE Cc1sc(Br)cc1S(=O)(=O)N[C@H](CCBr)COCc1ccccc1 2303589501 BZBZSPLKEMYRHG-CQSZACIVSA-N 497.274 4.468 50 10 JIGE CCOc1cc(C=C(C#N)C(=O)N(C)C)cc(I)c1OCc1ccccc1F 2313567381 GNYZPCQPHZTWKJ-UHFFFAOYSA-N 494.304 4.403 50 10 JIGE N#CC(=Cc1ccccc1OCc1ccc(C(=O)O)cc1)C(=O)N1CCN(c2ccccc2)CC1 2313568368 VFRGBXKXAVXYDX-UHFFFAOYSA-N 467.525 4.220 50 10 JIGE CCc1ccc(N2C(=O)[C@H](Cc3cccc(C(F)(F)F)c3)SC2=C(C#N)C(=O)NC)cc1 2314592706 ACGQWYSHDPEWIT-IBGZPJMESA-N 459.493 4.440 50 10 JIGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccccc2Br)c(OCC)c1 2314735829 FYOBIJWYSQQCPO-UHFFFAOYSA-N 474.307 4.302 50 10 JIGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccccc2-c2ccccc2)cc1 2314785984 YWZSADSYZPPULI-UHFFFAOYSA-N 456.498 4.008 50 10 JIGE COc1cc(C=C(C#N)c2ccccc2F)ccc1OC(=O)CCN1C(=O)c2ccccc2C1=O 2320506946 VAYZUBGEXBBGOC-UHFFFAOYSA-N 470.456 4.490 50 10 JIGE N#CC(=CNc1ccc(CC(=O)O)cc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324605374 SYVYWZCLPVQMRQ-UHFFFAOYSA-N 480.568 4.067 50 10 JIGE O=C(c1cc(I)ccc1F)N1C[C@H]2CC(Br)C[C@@H](C2)C1 2364242917 QMRQISXNJBFZGO-NXEZZACHSA-N 452.105 4.066 50 10 JIGE Cc1cc(N(C)Cc2c(Br)c(Br)nn2C)cc(CBr)n1 2364336315 NUBNINTXBUPGDD-UHFFFAOYSA-N 467.003 4.180 50 10 JIGE Cc1ncnc(N2C[C@@H](CBr)C[C@@H](C(C)(C)C)C2)c1I 2365438008 WLTMTEYZAOZMPP-VXGBXAGGSA-N 452.178 4.273 50 10 JIGE CC(C)[C@@H](Br)C(C)(C)CNC(=O)c1c(Br)c(Br)nn1C 2365868776 SHRQWILFRDFITJ-SNVBAGLBSA-N 474.035 4.121 50 10 JIGE Cc1ccc(O[C@H](C)C(=O)NNC(=O)c2cc(Br)ccc2OCC(C)C)cc1C 10153371 LHLGUUISZQOCNQ-MRXNPFEDSA-N 463.372 4.329 50 10 JIGE O=C(/C=C/c1ccccc1Cl)NC(=S)NNC(=O)COc1ccc(-c2ccccc2)cc1 13982130 CEQXODVQSWKSMN-NTCAYCPXSA-N 465.962 4.121 50 10 JIGE Cc1cccc(OCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2OCc2cccc(F)c2)c1C 20417936 KKADQEIJRJSHFO-LGJNPRDNSA-N 451.454 4.459 50 10 JIGE COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C(/C#N)C(=O)NCCc1ccccc1 33567905 INWYJWNITYZQQV-FXBPSFAMSA-N 480.524 4.070 50 10 JIGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)cc1 38658126 LUDYAHBBQBKBIN-SANMLTNESA-N 499.479 4.362 50 10 JIGE COc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)N3CCc4ccccc4C3)c(C)c21 40813195 CWBXAPSTPBKYGW-SGWCAAJKSA-N 457.530 4.266 50 10 JIGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(Br)cc2)c(OCC)c1 40867260 LNANXIPTFMRINO-LFIBNONCSA-N 474.307 4.302 50 10 JIGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)/C=C/c1ccc(Cl)c(Cl)c1 41012764 XLNIPNRHJZVWSB-ZTKKEOLVSA-N 487.339 4.387 50 10 JIGE C=CCNC(=O)/C(C#N)=C1\S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccc(OC)cc1 101241656 YHFATWKQCZCVTD-IRJMIRDBSA-N 453.951 4.077 50 10 JIGE N#C/C(=C/N1CCN(c2cccc(C(F)(F)F)c2)CC1)S(=O)(=O)c1ccc(Cl)cc1 102673280 ZNKXJHWSTXPSDR-RGEXLXHISA-N 455.889 4.320 50 10 JIGE CCOc1c(OC)cc(/C=N\NC(=O)c2ccc3nc(SC(C)C)[nH]c3c2)cc1[N+](=O)[O-] 169917860 VRAJYKRDENZPGO-JJFYIABZSA-N 457.512 4.143 50 10 JIGE CCCc1ccc(OCC(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2OC)cc1 206403654 PYKXHBDDUKFTCU-STZFKDTASA-N 474.513 4.448 50 10 JIGE COc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2)c(OC)c1 206693612 AEECEUBQCCIGJE-KYASWKSUSA-N 458.470 4.139 50 10 JIGE CCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)N3CCOCC3)cc2OC)cc1 207192879 SGLRWQOIHWSBEW-MFCAUQDESA-N 490.556 4.259 50 10 JIGE CC(C)(C)c1cc(C=NNC(=O)CN2CCN(Cc3ccccc3)CC2)cc(C(C)(C)C)c1O 254701322 UTMQCYDMGOEHDI-UHFFFAOYSA-N 464.654 4.255 50 10 JIGE Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(S(=O)(=O)C[C@@H]3CCCO3)cc2)c(C)n1CC(C)C 731338022 LKCYJHWPDQKCNH-VZIOXZNFSA-N 469.607 4.259 50 10 JIGE Cc1cc(/C=C(\C#N)C(=O)N2CCC[C@H]2C(=O)NCc2ccco2)c(C)n1-c1ccc(F)cc1 914581946 HDJHCDMDVURXID-VEWQMQJVSA-N 460.509 4.041 50 10 JIGE Cc1cc(C=NNC(=O)C(=O)N[C@H](C)c2ccccc2)c(C)n1-c1ccc(Br)cc1 1083944781 AUPQFARGVBOKMF-MRXNPFEDSA-N 467.367 4.184 50 10 JIGE Cc1cc(C=NNC(=O)c2ccc(CN3CCOCC3)cc2)c(C)n1-c1cccc(Br)c1 1084018923 SYFRUMWCOFGAAH-UHFFFAOYSA-N 495.421 4.453 50 10 JIGE O=C(NN=C(CSc1nc2ccccc2[nH]1)c1ccc([N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 1084248873 PVNXSEZXBKTWON-UHFFFAOYSA-N 476.474 4.306 50 10 JIGE O=C(CSc1nnc(CNc2ccccc2)n1-c1ccccc1)NN=CC(Cl)(Cl)Cl 1084453799 FLHJOJRCKRBBGB-UHFFFAOYSA-N 483.812 4.444 50 10 JIGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@@H](c2cc(F)ccc2[N+](=O)[O-])C1 1614691313 BQNVZDMOKBTMMG-MFKMUULPSA-N 450.248 4.119 50 10 JIGE CC(=O)c1ccc(C(=O)NNC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)cc1C 1641128023 WYJIQUSDQMFTHF-UHFFFAOYSA-N 458.543 4.441 50 10 JIGE Cc1c(C(=O)NNC(=O)c2ccccc2Cl)oc2c1C(=NNC(=O)c1ccccc1Cl)CCC2 1772743959 MHPVPRHZKKQSDK-UHFFFAOYSA-N 499.354 4.440 50 10 JIGE CCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1cc(OC)c(OC)c(OC)c1)C(C#N)=C(N)O2 1865691774 ARXPINIBNJZYIQ-FQEVSTJZSA-N 466.925 4.332 50 10 JIGE CCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1cc(OC)c(OC)c(OC)c1)C(C#N)=C(N)O2 1865692133 JIBWKQUUJXHNAJ-JOCHJYFZSA-N 460.534 4.046 50 10 JIGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1cc(OC)c(OC)c(OC)c1)C(C#N)=C(N)O2 1865693549 WTQDNZQPEFLDLJ-QHCPKHFHSA-N 474.561 4.436 50 10 JIGE CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1cc(Br)cc(OC)c1O)C(C#N)=C(N)O2 1865696884 SVZQQMLNEKRFDH-IBGZPJMESA-N 481.350 4.438 50 10 JIGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(Br)cc2)sc2c1CCN(C)C2 1866129214 IGZNYFJBJKCQQL-GXDHUFHOSA-N 474.380 4.221 50 10 JIGE CC[C@@](C)(NC(=O)c1cc(-c2ccc(F)c(F)c2)[nH]n1)C(=O)Nc1ccc(SC#N)cc1 1867094884 ZDMWXTJTNHFGHC-JOCHJYFZSA-N 455.490 4.465 50 10 JIGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)COc2ccccc2OC)cc1C 1873497108 JIYOREBZQDHBLP-LQKURTRISA-N 470.529 4.394 50 10 JIGE O=C(Cn1c(O)nc2ccccc2c1=O)N/N=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1 1873792729 NZAGPMVRGOVQEL-KKMKTNMSSA-N 497.338 4.138 50 10 JIGE CC(C)[C@@H](CI)NCc1ccc(Cl)cc1I 1901949882 PJBXNRGDDLCLEM-GFCCVEGCSA-N 463.528 4.494 50 10 JIGE O=C(c1cc(Br)ccc1Br)N1C[C@@H]2CC[C@]2(CBr)C1 1903985264 WDXKURUZCHLDCG-XPTSAGLGSA-N 451.984 4.459 50 10 JIGE BrCC[C@H]1CCN(c2ncc(I)cc2Br)C1 1988531873 YVXADRAMSWVDRM-QMMMGPOBSA-N 459.951 4.060 50 10 JIGE CN(C[C@@H](Cl)COCc1ccccc1)C(=O)c1cc(I)ccc1F 2003650198 SBNHROVSWFICFS-CQSZACIVSA-N 461.702 4.327 50 10 JIGE CC1(CBr)CC(NC(=O)c2cc(Br)ccc2I)C1 2055633934 OWLWNVPKWYUNRF-UHFFFAOYSA-N 486.973 4.347 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@H]2C[C@H](Br)[C@H]1C2 2057056711 JVKSHKAPXVHWAF-CQFDHEJISA-N 484.957 4.052 50 10 JIGE COc1cccc(-n2nc(CBr)c(I)c2C(F)(F)F)c1OC 2079258967 PCLIRVFLHYQGRE-UHFFFAOYSA-N 491.045 4.408 50 10 JIGE COCCN(C)C[C@@H](Br)CCc1cccc(Br)c1Br 2099440710 FUJKOJSCMTUZMM-LBPRGKRZSA-N 458.032 4.486 50 10 JIGE O=C(N[C@@H]1C[C@H](CBr)[C@@H]2C[C@@H]12)c1cc(I)ccc1Br 2110548833 JXTMBRHTQWVJSN-ISCDUZKHSA-N 498.984 4.203 50 10 JIGE O=C(NC[C@]1(F)C[C@@H](CBr)C1)c1cc(Br)ccc1Br 2112235101 IJBRPWLFGSPWET-KTLJEJPDSA-N 457.963 4.455 50 10 JIGE O=C(c1cc(Br)ccc1I)N1[C@H]2CC[C@@H](C2)[C@H]1CBr 2122173670 VWIXRNKKYGATKX-GMOODISLSA-N 498.984 4.442 50 10 JIGE O=C(c1ccc(F)cc1I)N1CCC([C@@H](F)CBr)CC1 2163246000 OGRAXLIUPOXVBT-LBPRGKRZSA-N 458.084 4.016 50 10 JIGE CC1(C)C[C@H](N(Cc2ccccc2)S(=O)(=O)Cc2ccc(CBr)cc2)CO1 2179790698 HYRKSIFMEFFVBI-FQEVSTJZSA-N 452.414 4.481 50 10 JIGE COc1cc(I)c(Cl)cc1C(=O)N(C)C[C@H]1C[C@H](Br)C1 2196908018 VKERJPWMUZIHEB-KYZUINATSA-N 472.548 4.199 50 10 JIGE CC[C@H](C)[C@@H](CI)NS(=O)(=O)c1ccc(Cl)c(F)c1Cl 2201197208 YODYNIWKWUPNNU-IONNQARKSA-N 454.132 4.261 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CCC(F)(F)[C@H](CCl)C1 2207270845 DPAYIZCWXVNCPN-MRVPVSSYSA-N 478.502 4.390 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H](Cl)CCC12CC2 2227496203 QIUQOMULHHXTQU-JTQLQIEISA-N 454.533 4.430 50 10 JIGE CC1(C)CN(C(=O)Cc2ccccc2I)C[C@H]1CCBr 2238473905 ZTIQKEDGLNAGPZ-CYBMUJFWSA-N 450.158 4.103 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC[C@]23C[C@H](CO2)C3(C)C)C1 2313356589 QPEAMVCFVLADMO-ZMYBRWDISA-N 465.372 4.023 50 10 JIGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1CCS1(=O)=O 2317424075 SKZVMBODDHDCTQ-CBAPKCEASA-N 464.976 4.282 50 10 JIGE C[C@@H]1CCN(C(=O)c2ccc(Cl)cc2I)C[C@H]1CBr 2340061572 PBOPXLBAAPFDJS-NXEZZACHSA-N 456.549 4.438 50 10 JIGE Cn1cc(I)c(C[C@@H](CCl)Cc2ccc(Br)cc2)n1 2341763696 XDYNDEVYCHMHMM-NSHDSACASA-N 453.549 4.427 50 10 JIGE Clc1ccc(I)cc1CN1CC2(C1)OCCC[C@H]2Br 2352420142 MJWJTWKLBOVCSB-CYBMUJFWSA-N 456.549 4.073 50 10 JIGE C[C@@H](Br)CN(CC(C)(C)C)C(=O)c1c(Br)c(Br)nn1C 2364008923 YOJUVYFHXJRZEE-MRVPVSSYSA-N 474.035 4.217 50 10 JIGE C[C@@H]1CCC[C@@](CBr)(NS(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2364194810 JUWICQJMMCUDGA-VGOFRKELSA-N 499.471 4.106 50 10 JIGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc(I)c1OC 6600377 QAXXUBPZKYTYQB-JYRVWZFOSA-N 493.257 4.152 50 10 JIGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=O)COc1ccc(Br)cc1Cl 13980393 APFKCOVNYLIKGW-CYBMUJFWSA-N 469.763 4.221 50 10 JIGE CCc1ccc(OCC(=O)NNC(=O)[C@@H](C)Oc2ccc(C(C)C)cc2)c(Br)c1 14040265 PXFQBUXQISJLMN-OAHLLOKOSA-N 463.372 4.129 50 10 JIGE CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1sc(C(=O)N(C)C)c(C)c1C#N 20177042 BTUBTMAVIVSPSF-RIYZIHGNSA-N 487.379 4.337 50 10 JIGE COc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cc(OC)c(OC)c(OC)c2)c1 38660450 GPCBDJVABBJLTB-XMMPIXPASA-N 488.496 4.158 50 10 JIGE CCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc3cc(C(=O)NCC(C)C)c(=O)oc3c2)cc1 40894478 FLMAAKWUTFGTQS-UDWIEESQSA-N 474.513 4.480 50 10 JIGE COc1ccc(CCC(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2OC)cc1OC 40995035 ZZMOADODZOBPOD-DEDYPNTBSA-N 490.512 4.067 50 10 JIGE COc1ccc(CCNC(=O)/C(C#N)=C2/N=C(NC(=O)c3ccc(Cl)cc3)c3ccccc32)cc1 102673680 LSIZNVJMPNXHNS-WCWDXBQESA-N 484.943 4.132 50 10 JIGE CCn1ncnc1CC(CBr)(CBr)c1cccc(Br)c1 118878740 MTRFDUBCDJBGPK-UHFFFAOYSA-N 466.015 4.331 50 10 JIGE COc1cc(/C=C(/C#N)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCc1cccc(F)c1 207530460 ICLZWOLXHPKYFV-UKWGHVSLSA-N 460.461 4.365 50 10 JIGE O=S(=O)(N[C@@H]1CCC[C@H]1CBr)c1cc(Br)ccc1Br 231618855 FBDOYOSUDBPBDJ-GZMMTYOYSA-N 476.028 4.054 50 10 JIGE Brc1ccc(I)c([C@H](Br)Cc2ncc[nH]2)c1 232479606 FJWGLQHDMYBFKK-SECBINFHSA-N 455.919 4.456 50 10 JIGE Cc1nnc(SCC(=O)NN=Cc2ccc(OC(=O)c3ccccc3F)cc2)n1-c1ccccc1 254645217 LDCUJGWVBUBZES-UHFFFAOYSA-N 489.532 4.176 50 10 JIGE Cc1ccc(-n2c(SCC(=O)NN=Cc3ccccc3[N+](=O)[O-])nnc2-c2ccccc2)cc1 254839357 GRTAPDBNACMCRW-UHFFFAOYSA-N 472.530 4.393 50 10 JIGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@H](c2ccc([N+](=O)[O-])cc2F)C1 725432732 HPAFMZWOIIWTOO-ZWNOBZJWSA-N 450.248 4.119 50 10 JIGE Cc1cc(/C=C(\C#N)C(=O)OCC(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)c(C)n1-c1ccccc1F 728087005 PLRUTDHBZQZQTP-PBGVMVHZSA-N 487.487 4.286 50 10 JIGE CN(C)[C@H](CNC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1)c1ccccc1Cl 914846983 GJKJHJAZCTZBIF-NAENUDGNSA-N 472.980 4.443 50 10 JIGE COc1cc(C=NNC(=O)COc2ccc(C)c(Cl)c2)ccc1OCc1ccc(C(=O)O)cc1 1084032140 QNVMLIPWQBJHQG-UHFFFAOYSA-N 482.920 4.463 50 10 JIGE O=C(NN=Cc1ccc(Br)cc1)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 1084110606 AVQZEFVKSAYKKJ-UHFFFAOYSA-N 467.279 4.374 50 10 JIGE CC(=NNC(=O)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1)c1cccc([N+](=O)[O-])c1 1084220982 USPVDSULXZVDAC-UHFFFAOYSA-N 471.561 4.067 50 10 JIGE O=C(COc1ccc(Cl)cc1Cl)NN=C1C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 1084257218 LTZLCESWDHVSNW-UHFFFAOYSA-N 499.310 4.348 50 10 JIGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CNC(=O)CC3CCCCC3)cc2)cc1 1858675646 XMMWMTMHRJANIA-UHFFFAOYSA-N 486.619 4.357 50 10 JIGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cccc(Cl)c2)ccc1O 1865681858 YQSGNNZAWGMQNI-NRFANRHFSA-N 450.926 4.470 50 10 JIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)c(Cl)c2)cc(OC)c1O 1865714159 FFOMLBQITSNPMC-LJQANCHMSA-N 473.316 4.429 50 10 JIGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCN3C(=O)c4ccccc4C3=O)n2)cc1OC 1872745596 VBJKPHZDQRSKCR-ZPHPHTNESA-N 461.499 4.306 50 10 JIGE CCCCCOc1ccc(/C=N/NC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)cc1OC 1873794997 MQWXXRBIPXQZNN-MRSJDWDVSA-N 467.632 4.361 50 10 JIGE C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)C[C@H]1C[C@H]1Br 1881363478 WRMYSFIZLOPIML-VTJXTGGHSA-N 457.368 4.155 50 10 JIGE O=C(c1cc(I)ccc1Br)N1[C@H]2CC[C@@H]1C[C@@H](Cl)C2 2098699938 YUXFLDXDNSMOGC-UIKWRGBMSA-N 454.533 4.428 50 10 JIGE CC1(C)[C@H](CBr)OCCN1C(=O)c1scc(Br)c1Br 2103404134 JEWCYMRIGYBKBO-QMMMGPOBSA-N 476.028 4.288 50 10 JIGE CC1(C)CO[C@@H](CBr)CN1Cc1cc(Cl)ccc1I 2111237087 SQTWUTHZCUJBMX-LBPRGKRZSA-N 458.565 4.319 50 10 JIGE CCCCOCCOCCO[C@]1(CI)CCCN(C(=O)OC(C)(C)C)C1 2124826163 XLBKPKAMCBBWBS-IBGZPJMESA-N 485.403 4.041 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@@H]2[C@@H](CCl)C[C@H]2C1 2142288421 KIZVVDBVPPCYKD-VDDIYKPWSA-N 454.533 4.001 50 10 JIGE CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@H]1NS(=O)(=O)c1ccc(CBr)cc1 2162593323 DCTPHBHAUCOCOO-IAGOWNOFSA-N 461.422 4.086 50 10 JIGE COc1cc(Br)c([C@H](Br)c2cn(C)nc2Br)cc1OC 2173184635 XFIOYPMVDIOYKH-LBPRGKRZSA-N 468.971 4.447 50 10 JIGE O=C(c1cc(I)sn1)N1CCC[C@@]2(CBr)CCCC[C@H]12 2176540576 VWAARLVKNVPHFX-SMDDNHRTSA-N 469.186 4.308 50 10 JIGE Cc1csc(CBr)c1S(=O)(=O)N1C[C@@H]2CN(Cc3ccccc3)C[C@]2(C)C1 2179815371 DAMWNELGNLCYGB-FXAWDEMLSA-N 469.470 4.094 50 10 JIGE O=C(c1scc(Br)c1Br)N1C[C@H]2OCCC[C@@]2(CBr)C1 2239158094 QPDFHEWZSCZZNF-NOZJJQNGSA-N 488.039 4.289 50 10 JIGE ClCc1nc(I)c(Cc2ccccc2)c(I)n1 2249818875 VMJMDYJHRBBCAA-UHFFFAOYSA-N 470.479 4.015 50 10 JIGE O=S1(=O)CC[C@H]1[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2260082696 GQFMNMQMJYNWIQ-POYBYMJQSA-N 468.939 4.113 50 10 JIGE Cc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1cccc([N+](=O)[O-])c1 2313545811 HPQAXCNTEXOXJD-UHFFFAOYSA-N 455.518 4.258 50 10 JIGE COc1ccc(C=CC(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1OC 2313630047 BCIDPWKMHFBQNP-UHFFFAOYSA-N 491.382 4.003 50 10 JIGE CCOc1ccc(C=CC(=O)NNC(=O)COc2ccc3ccccc3c2Br)cc1 2313890155 BOCGXIDZNRHFLK-UHFFFAOYSA-N 469.335 4.241 50 10 JIGE COC1CC2(C1)CC(O[C@]1(CI)CCCN(C(=O)OC(C)(C)C)C1)C2 2314654017 SSEMOPFMPYRABB-BCOZGUIHSA-N 465.372 4.165 50 10 JIGE COC(=O)c1ccccc1NC=C(C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324599245 AIGDDPDZRXWZAR-UHFFFAOYSA-N 480.568 4.226 50 10 JIGE COc1ccc(OC)c(-c2csc(C(C#N)=C(O)[C@H](C)N3C(=O)c4ccccc4C3=O)n2)c1 2331325192 UOJNSOMUNIBKIS-ZDUSSCGKSA-N 461.499 4.305 50 10 JIGE C[C@@H](Br)[C@H](NC(=O)c1ccc(Cl)cc1I)C(F)(F)F 2340058173 PXGKQFOWGRDFRP-ANLVUFKYSA-N 470.454 4.389 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1CCC[C@@](F)(CBr)C1 2340062564 BAGRRGYBZXPSOX-CYBMUJFWSA-N 460.512 4.284 50 10 JIGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C(C)C)cc2)cc1 14029186 ZGEWUEVNJSJLLL-UHFFFAOYSA-N 484.622 4.190 50 10 JIGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)COc2ccc(Cl)cc2Br)cc1 14034712 WJPYAFMEHBJVIL-UHFFFAOYSA-N 469.763 4.005 50 10 JIGE Cc1ccc(OCC(=O)NNC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)c(Br)c1 14665830 MCEQKFRUHJWPCW-OAHLLOKOSA-N 463.372 4.049 50 10 JIGE COc1cccc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)c1 20274040 FVPPLIHNTKNXDO-ZMOGYAJESA-N 452.854 4.273 50 10 JIGE Cc1cc(Cl)ccc1OCCCC(=O)NNC(=O)c1cccc(OCc2cscn2)c1 21769324 XMVSBAIKSCUQKN-UHFFFAOYSA-N 459.955 4.304 50 10 JIGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc([N+](=O)[O-])cc2)cc1 38654495 WIHDVXKYILFDBJ-DEOSSOPVSA-N 457.442 4.106 50 10 JIGE Cn1c(=O)n(C)c2cc(/C=C(\C#N)C(=O)Nc3cccc4ccccc34)c(Br)cc21 59857923 XPTAZNYQHDYMPE-MHWRWJLKSA-N 461.319 4.338 50 10 JIGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N(CCBr)CC(F)F 231582922 RETYKGPJGIAFHO-UHFFFAOYSA-N 475.964 4.407 50 10 JIGE CSc1ccc(C=NNC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)cc1 254871024 MAUUXSDYYHDJBS-NSMVREDTSA-N 459.527 4.058 50 10 JIGE COc1ccccc1[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CI 382709888 XBJBFABHDHMKAI-FUHWJXTLSA-N 451.304 4.482 50 10 JIGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(C)n(-c3cccc(C(=O)OC)c3)c2C)cc1 725419380 XSAAJBMVWWEYNA-RUZDIDTESA-N 477.561 4.243 50 10 JIGE O=C(NNC(=O)[C@H]1C[C@H]1c1cccc2ccccc12)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 730770256 DLQCDHMRCKDNPH-UIOOFZCWSA-N 488.551 4.106 50 10 JIGE CN(C)[C@@H](CNC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1)c1ccccc1Cl 914846985 GJKJHJAZCTZBIF-ZTTNJJDWSA-N 472.980 4.443 50 10 JIGE C=CCOc1ccc(C=NNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)cc1 916258237 OVHQMOLLWIOUKP-UHFFFAOYSA-N 469.950 4.470 50 10 JIGE COc1ccc([C@H]2[C@H](C(=O)N3CC=C(C#N)CC3)CCC(=O)N2c2ccc(C)cc2)cc1OC 1466140860 GZMMFNKSTYGQKC-GJZUVCINSA-N 459.546 4.179 50 10 JIGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc(Oc3ccc(F)cc3)cc2)cc1 1467317992 HJSJTMOXZVJWAS-INIZCTEOSA-N 451.454 4.441 50 10 JIGE C=CCOc1cccnc1C(=O)NNc1ccc(S(=O)(=O)c2ccc(C(C)C)cc2)cc1 1529544643 KPXJSMOPRXOQDF-UHFFFAOYSA-N 451.548 4.360 50 10 JIGE C#CCCCC(=O)NNC(=O)CCc1c(-c2ccccc2)[nH]c2c(Br)cccc12 1635718817 QZEFEESMFJLFIQ-UHFFFAOYSA-N 452.352 4.481 50 10 JIGE CC(C)[C@@H](CBr)N(C)c1ncc(I)cc1Br 1902086797 JBJZENNBEMVYIV-SNVBAGLBSA-N 461.967 4.304 50 10 JIGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@@H](CNC(=O)[C@@H](Br)C2CCCC2)C1 2025232641 XQPYXZGPZZTJML-SFTDATJTSA-N 494.474 4.178 50 10 JIGE O=C(CBr)c1cc(OC(F)F)c(OC(F)(F)F)cc1I 2060367668 VQYRBBFPTQMWEW-UHFFFAOYSA-N 474.945 4.369 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1ccnc(Br)c1Cl 2063196597 VLTURWRRHVJXRQ-UHFFFAOYSA-N 470.842 4.133 50 10 JIGE O=C(N[C@H]1C[C@H](CCBr)C1)c1cc(I)ccc1Br 2078354267 OJPCHDDFWXCCIO-CZMCAQCFSA-N 486.973 4.347 50 10 JIGE O=C(c1ccc(Br)cc1I)N(CCBr)CC1CC1 2086151017 JJELOJMPTARVKH-UHFFFAOYSA-N 486.973 4.301 50 10 JIGE O=S1(=O)CC[C@@H]([C@@H](CBr)Cc2cc(Br)ccc2Br)C1 2118525009 PLKGMGDXDIWBCG-MWLCHTKSSA-N 475.040 4.200 50 10 JIGE O=C(c1cc(Br)sc1Br)N1CCO[C@@H]2C[C@@H](Br)C[C@@H]21 2128867505 JAZOAFWPVURPJQ-CNUIFLNQSA-N 474.012 4.040 50 10 JIGE O=C(N[C@@H]1CC[C@@H]2C[C@@]21CCl)c1cc(Br)ccc1I 2132110009 BHBBBMOBDIMQJS-IHPUGEDLSA-N 454.533 4.191 50 10 JIGE C[C@@H]1CN(S(=O)(=O)c2ccc(Br)c(CCl)c2)[C@H](C)CN1Cc1ccccc1 2152184578 MEKZACKQGVIIFV-HZPDHXFCSA-N 471.848 4.471 50 10 JIGE C[C@H]1CN(Cc2ccccc2)[C@H](C)CN1S(=O)(=O)c1ccc(CCl)c(Br)c1 2152184586 MHJXUKVOGXSHIA-CVEARBPZSA-N 471.848 4.471 50 10 JIGE O=S(=O)(c1ccc(CBr)cc1F)N1CC2(CC(OCc3ccccc3)C2)C1 2179778547 DUDGDMSTGGBBNT-UHFFFAOYSA-N 454.361 4.091 50 10 JIGE C[C@@]12CN(Cc3ccccc3)C[C@]1(C)CN(S(=O)(=O)c1ccsc1CBr)C2 2179868069 FHPDMDQHHFOIGG-BGYRXZFFSA-N 469.470 4.176 50 10 JIGE CN(C[C@@H]1C[C@@H]1Br)S(=O)(=O)c1ccc(Cl)c(CBr)c1Cl 2196935234 LGUUYJAWFIYHBL-CBAPKCEASA-N 466.022 4.292 50 10 JIGE C[C@]1(CBr)COCCN(C(=O)c2ccc(Br)cc2Br)C1 2199824166 AUMLESZRGDKDPY-CQSZACIVSA-N 469.999 4.085 50 10 JIGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1CO[C@H]2COC[C@@H]12 2225616990 LCJQVKIVAUDQNL-XXHBBNRNSA-N 458.947 4.448 50 10 JIGE CCCCc1ccc(C[C@H]2SC(=C(C#N)C(=O)N3CCOCC3)N(c3ccccc3)C2=O)cc1 2297463162 FHSIAKZGRVIHSA-XMMPIXPASA-N 475.614 4.314 50 10 JIGE CS(=O)(=O)C1([C@H](Br)c2sc(Cl)cc2I)CCC1 2300953649 MMLYCQRBIMTJBL-SECBINFHSA-N 469.591 4.409 50 10 JIGE Clc1ccc(CN2CCC(OCCBr)CC2)c(I)c1 2341027886 PFYNTBXNKHQHHU-UHFFFAOYSA-N 458.565 4.321 50 10 JIGE Cn1nc(Br)c(Br)c1C(=O)NCC[C@@H]1CCCC[C@@H]1Br 2364227557 AJBAXXPJZDHTGP-IUCAKERBSA-N 472.019 4.019 50 10 JIGE COc1c(Br)cc(C)c([C@@H](Br)[C@@H]2CCS(=O)(=O)C2)c1Br 2365184316 OXNYJJNJYOFYNK-KCJUWKMLSA-N 491.039 4.399 50 10 JIGE Cc1cc(OCC(=O)NNC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)ccc1Br 12500722 LPPLGZALPHNENS-UHFFFAOYSA-N 498.402 4.139 50 10 JIGE Cc1ccc(C(=O)NC(=S)NNC(=O)C(c2ccccc2)c2ccccc2)cc1Br 12573063 HIBDZDSGTNNXLY-UHFFFAOYSA-N 482.403 4.225 50 10 JIGE Cc1cccn2c(=O)c(/C=C(/C#N)S(=O)(=O)c3ccccc3)c(Oc3ccc(F)cc3)nc12 33365887 FHKHGMAJNBYVMO-ZHZULCJRSA-N 461.474 4.273 50 10 JIGE CCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc([N+](=O)[O-])cc1 38655007 PKQGAJVUWATILT-HSZRJFAPSA-N 457.442 4.431 50 10 JIGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)c1OC 38658886 HMVFECNQRZBSPF-IZHWHUGBSA-N 490.487 4.434 50 10 JIGE COc1ccccc1NC(=O)/C(C#N)=C\c1c(Oc2ccccc2F)nc2ccccn2c1=O 39858724 NGZSYCBTLMRHKP-PEZBUJJGSA-N 456.433 4.180 50 10 JIGE COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1cccc(Cl)c1 40878449 VUDAGDVERQMWGL-LICLKQGHSA-N 466.877 4.149 50 10 JIGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1 40926731 ZJXVKSDZBOOYKW-ZEQSIELKSA-N 487.468 4.429 50 10 JIGE O=C(COc1ccc(Cl)cc1Cl)NNC(=O)c1ccc2nc3c(nc2c1)[C@H]1CC[C@H]3C1 101136591 YVDMTQPBHSSBNW-RYUDHWBXSA-N 457.317 4.141 50 10 JIGE Cc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)NNC(=O)c4cccc(Cl)c4)c(C)c32)c1 101593275 IGBRZFCDCLDHJN-ZXVVBBHZSA-N 478.936 4.095 50 10 JIGE O=S(=O)(N[C@H]1CCC[C@@H]1Br)c1c(Cl)cc(Br)cc1Cl 122347230 PBCNKZXYKBLUNO-XVKPBYJWSA-N 451.995 4.350 50 10 JIGE COc1ccc(-c2cc(C(=O)NN=Cc3ccc(OC)c(OCc4ccccc4)c3)[nH]n2)cc1OC 254513602 FZICOBTUDLHSIZ-UHFFFAOYSA-N 486.528 4.445 50 10 JIGE CC[C@@H](Br)c1cn(-c2ccc(Br)c(I)c2)nn1 304215761 YDLLIAIGQSXNRP-MRVPVSSYSA-N 470.934 4.480 50 10 JIGE O=S1(=O)CC[C@@H](C(CBr)(CBr)Cc2sccc2Cl)C1 382248111 DPPYGPPPPMMKCP-SECBINFHSA-N 450.645 4.155 50 10 JIGE O=C(CBr)c1cc(Br)cc(I)c1OC(F)F 575681733 ABFJGLAPHXNYHF-UHFFFAOYSA-N 469.845 4.233 50 10 JIGE COc1ncnc2c1nc(CCl)n2CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705782327 FZLKNFKLAJNZOV-UHFFFAOYSA-N 463.969 4.045 50 10 JIGE CN(C[C@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(CBr)cc1 720027949 XWSXATNXRVHUBE-HXUWFJFHSA-N 451.430 4.114 50 10 JIGE C=CCOc1c(Br)cc(C=NNC(=O)c2cc(Br)cn2C)cc1OCC 767312904 UOPCFABLMBUTKX-UHFFFAOYSA-N 485.176 4.278 50 10 JIGE CN(C)C1(CNC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)CCCC1 920475136 CFKNQSOCIUAYNC-XMHGGMMESA-N 450.974 4.015 50 10 JIGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)cc1 1204162524 NNENUVSABHRPEK-ZDUSSCGKSA-N 458.927 4.286 50 10 JIGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)c1OC 1865700918 HPXWTXUERLINBN-KRWDZBQOSA-N 474.414 4.325 50 10 JIGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@H](c2ccc(F)cc2F)C(C#N)=C(N)O3)cc1 1865702035 LBDGEYSZIZUCBM-OAQYLSRUSA-N 457.440 4.439 50 10 JIGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(O)c(OC)c2)cc1 1865706431 WMAMXWRIRDNPPB-QHCPKHFHSA-N 466.497 4.480 50 10 JIGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1cc(OC)c(O)c(OC)c1)C(C#N)=C(N)O2 1865715127 WUVZDGHKYBKKJW-OAQYLSRUSA-N 480.952 4.478 50 10 JIGE COc1cc(/C=C(\C#N)c2cc3c(cc2[N+](=O)[O-])OCCO3)ccc1OCC(=O)Nc1ccccc1 1872728608 LEXZPVAZTMFWFL-WOJGMQOQSA-N 487.468 4.456 50 10 JIGE C[C@@H](Br)[C@H]1CCN1C(=O)c1ccc(I)c(Br)c1 2011147577 XNRPNQBGZMNPTJ-RDDDGLTNSA-N 472.946 4.052 50 10 JIGE C[C@H]1C[C@@H](Br)[C@H](C)CN1c1ncc(I)cc1Br 2015767195 OASBTUUQKYGLPL-KHQFGBGNSA-N 473.978 4.447 50 10 JIGE Clc1ccc(CBr)c(I)c1I 2060261393 SIQKAAYHCCHBSX-UHFFFAOYSA-N 457.274 4.444 50 10 JIGE O=C(CBr)c1ccc(I)c(OC(F)(F)F)c1OC(F)F 2060375611 BHKILTZQGZFVSG-UHFFFAOYSA-N 474.945 4.369 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@@H]2C[C@H](C[C@@H]2Cl)C1 2107290072 LGTDKECJBDOZLL-ZDMBXUJBSA-N 454.533 4.143 50 10 JIGE O=C(N[C@@H]1C[C@H](CBr)[C@@H]2C[C@@H]12)c1cc(Br)ccc1I 2110549049 LEUOQXAPKXVTBC-ISCDUZKHSA-N 498.984 4.203 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@@H]2C[C@H](CCl)[C@@H]2C1 2117684660 VYRWHKGFHYKQHV-PTRXPTGYSA-N 454.533 4.001 50 10 JIGE O=S(=O)(c1cc(F)c(Cl)c(CBr)c1)N1CC[C@@H](OCc2ccccc2)C1 2123270784 ZKRVAMTWYLFWQU-OAHLLOKOSA-N 462.768 4.354 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CC[C@H](Br)[C@H]2CC[C@H]21 2133724000 SYPSYGQIHLOZNJ-SUZMYJTESA-N 498.984 4.442 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@]12CC[S@@](=O)(=NCCCCCI)C2 2214711462 LBMBBLZMRGMHRK-OSPHWJPCSA-N 470.417 4.233 50 10 JIGE O=C(N1CCC[C@@H]([C@H]2CCCCN2CCCCCI)C1)C(F)(F)F 2220214472 DGUCKFJXUPVSLF-HUUCEWRRSA-N 460.322 4.247 50 10 JIGE O=S1(=O)C[C@H]2C([C@@H](Cl)c3c(F)cc(Br)c(F)c3Br)[C@@H]2C1 2288347959 ZZIJYMFDIXFEAQ-RDSNPXOSSA-N 450.526 4.060 50 10 JIGE C[C@H]1CN(C(=O)C(C#N)=C2N=C(NC(=O)c3ccc(C(C)(C)C)cc3)c3ccccc32)C[C@H](C)O1 2296532721 OQLTXKHFUZXREN-ROUUACIJSA-N 470.573 4.045 50 10 JIGE COc1ccc(C(C#N)=Cc2cccc(OC(=O)CCN3C(=O)c4ccccc4C3=O)c2)cc1 2318356369 YGRWFEAIPFRWGN-UHFFFAOYSA-N 452.466 4.351 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1[C@H]2CC[C@@H]1C[C@H]2CBr 2334379792 LSABQPWXAVBLMW-CWSCBRNRSA-N 454.533 4.333 50 10 JIGE CC(C)(C)OC(=O)N[C@H](C[S@](C)(=O)=NC[C@@]1(CBr)CC1(F)F)C(C)(C)C 2351892176 LURIOMQRQFXEHW-IYRCFZAVSA-N 461.413 4.444 50 10 JIGE O=C(N[C@H]1C[C@@H](CBr)C12CCC2)c1c(F)cccc1I 2379715113 AYOJMQWRXQPUFL-CABZTGNLSA-N 452.105 4.114 50 10 JIGE COC[C@@]1(CBr)C=CCN1C(=O)c1ccc(Br)cc1Br 2379849097 FTUDXJSIMFNXCG-AWEZNQCLSA-N 467.983 4.004 50 10 JIGE C[C@@H](Oc1ccc(Cl)cc1)C(=O)NNC(=O)COc1ccc2ccccc2c1Br 14007283 SDWAYUKBAJKUQX-CYBMUJFWSA-N 477.742 4.249 50 10 JIGE COc1cc(C=NNC(=O)COc2cccc3ccccc23)ccc1OC(=O)c1ccc2c(c1)OCO2 17207113 MJYBHOKZPBLKFR-UHFFFAOYSA-N 498.491 4.325 50 10 JIGE Cc1cccc(Nc2ncnc(NNC(=O)COc3ccc(Cl)cc3Cl)c2[N+](=O)[O-])c1 40648522 LMWVNVSNSRWISG-UHFFFAOYSA-N 463.281 4.266 50 10 JIGE CCOC(=O)c1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccoc1C)CCC2 40823587 CFLWKEHKRREYIJ-ZXVVBBHZSA-N 463.490 4.389 50 10 JIGE C#CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1OC 59335385 PXGQWUMHNNVUDK-YBEGLDIGSA-N 472.282 4.166 50 10 JIGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1)CCC2 101594733 WRQTZGPWIAHZBL-OVVQPSECSA-N 499.354 4.440 50 10 JIGE COC(=O)[C@H](Br)COc1c(Br)cc(Br)c2cccnc12 159879208 VUWSDFIAGUPFNZ-SNVBAGLBSA-N 467.939 4.075 50 10 JIGE CC[C@@H](CCBr)NC(=O)c1cc(Br)ccc1I 233873855 NWXJGHHAZHEGAP-VIFPVBQESA-N 474.962 4.347 50 10 JIGE CCCCOc1ccc(C=NNC(=O)C(=O)Nc2sc3c(c2C(=O)OCC)CC[C@H](C)C3)cc1 254740413 UIYTYFKSTHHGBI-INIZCTEOSA-N 485.606 4.317 50 10 JIGE Cc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(O)c(O)c3)n2-c2ccc(C)cc2)cc1 263632110 CVYHRARPNHBGDR-UHFFFAOYSA-N 473.558 4.205 50 10 JIGE COc1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)c(O)c1 382699303 WPDZPALVLITKMC-MAUKXSAKSA-N 467.303 4.188 50 10 JIGE Cc1cc([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)ccc1O 383420495 OKZBRXCKNWNNEY-QZTJIDSGSA-N 451.304 4.488 50 10 JIGE O=S(=O)(c1cc(CCl)ccc1Br)N1CC[C@@H](COCc2ccccc2)C1 383986551 IALJNOQMWTZBQM-QGZVFWFLSA-N 458.805 4.415 50 10 JIGE CC1CCN(C[C@H]2CCCN(C(=O)/C(C#N)=C/c3cn(CCC#N)nc3-c3ccccc3)C2)CC1 748223482 HFTRSOOKOOYRJA-QADUPLGGSA-N 470.621 4.341 50 10 JIGE COc1ccc(C)cc1N(CC(=O)NN=Cc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 1083921042 DJNDROYLOWANHV-UHFFFAOYSA-N 471.966 4.003 50 10 JIGE CC(=O)N1C[C@H](c2cc(Br)cc(Br)c2)[C@@H](CI)C1 1614628843 XVDVJXBLSAJBMB-GXFFZTMASA-N 486.973 4.209 50 10 JIGE CCCOc1ccc(/C=N/NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1OCC 1860773809 FXEWCLFVWVMVFV-ZSUCCFLRSA-N 496.633 4.482 50 10 JIGE Cc1cc(=NC(=O)[C@@H]2CCCN2c2cc(Nc3ccc(SC#N)cc3)nc(C(C)C)n2)[nH]o1 1868231967 YLKYBQYEYHVJHR-SFHVURJKSA-N 463.567 4.243 50 10 JIGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(C)[C@H](c3ccccc3)C2)n1 1868253416 GVMYGDLTKOAVEA-QFIPXVFZSA-N 460.607 4.475 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1C[C@H]2CC[C@H]1N(C(=O)OC(C)(C)C)C2 1903693133 GOQYQBDUHXLDAZ-IXDOHACOSA-N 461.694 4.270 50 10 JIGE BrC[C@@H]1C[C@H]2CC[C@H]1N2c1ncc(I)cc1Br 2015767414 ROEWQPZXAWKFKB-JVUFJMBOSA-N 471.962 4.201 50 10 JIGE FC(F)Oc1c(I)ccc(CBr)c1I 2060290358 UCLDKKDFLSNTDE-UHFFFAOYSA-N 488.835 4.392 50 10 JIGE O=C1Cc2cc([C@H](Br)c3cc(I)sn3)c(Cl)cc2N1 2120033788 VCFBIAGXQLQLLA-LBPRGKRZSA-N 469.529 4.380 50 10 JIGE O=C(c1cccc(F)c1I)N1CC[C@@H]2C[C@H](Br)CC[C@H]21 2143974318 OJSMSYYFVGTOKQ-GIPNMCIBSA-N 452.105 4.208 50 10 JIGE CC(C)n1cc(S(=O)(=O)N(Cc2ccccc2)C[C@@H]2CCCO2)cc1CBr 2179857636 CCKJRYTWTMUQPA-IBGZPJMESA-N 455.418 4.334 50 10 JIGE CN(CC1CC(Br)C1)C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCC(F)(F)CC1 2196914356 MRXOZMSSVBYNBZ-ZALBZXLWSA-N 453.368 4.337 50 10 JIGE CC1=C(Br)CCN(S(=O)(=O)c2ccc(CBr)c(Br)c2)C1 2197870953 DRZWZGPKAIOKRD-UHFFFAOYSA-N 488.039 4.407 50 10 JIGE C[C@@H](Br)CN(CC(C)(C)C)C(=O)c1ccc(I)c(O)c1 2288078392 LAVGSJFJRIKZBI-SNVBAGLBSA-N 454.146 4.269 50 10 JIGE Cc1ccc(S(=O)(=O)C(C#N)=Cc2c(Oc3ccc(F)cc3)nc3ccccn3c2=O)cc1 2296718532 SJIWIILSEUITHF-UHFFFAOYSA-N 461.474 4.273 50 10 JIGE C=CCOc1ccc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1Br 2313545861 KTHOSMHDRBNZEA-UHFFFAOYSA-N 452.352 4.270 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OCC2C[C@@H]3[C@@H](C2)C3(F)F)C1 2320757043 JXQVRHOFHVVGDB-CKEIUWERSA-N 471.326 4.499 50 10 JIGE O=C(NCC(F)(F)C(F)(F)CI)c1cc(Cl)c(Cl)s1 2336524520 LHODJAHZBADXRC-UHFFFAOYSA-N 450.022 4.490 50 10 JIGE Cl[C@H]1C[C@H]2[C@@H](C1)OCCN2Cc1ccc(I)c(Br)c1 2349850607 AYDSBRPGZBWTKQ-LEWSCRJBSA-N 456.549 4.024 50 10 JIGE CN([C@@H]1CCCCC[C@H]1Br)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364205951 OYZGBLJCNFQKNO-WOJBJXKFSA-N 499.471 4.201 50 10 JIGE CC(C)c1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 10453223 YIXFSVBFEMYIHL-UHFFFAOYSA-N 460.559 4.012 50 10 JIGE CC[C@@H]1CCc2sc(C(=O)NNC(=O)c3ccc(C)c(NC(=O)c4ccco4)c3)cc2C1 12756558 NMAPFFJLGKPDDR-OAHLLOKOSA-N 451.548 4.492 50 10 JIGE CCCCCCOc1ccccc1C(=O)NNC(=O)CCC(=O)Nc1ccc(OCC)cc1 14032668 WAOQUOXNWSVCKT-UHFFFAOYSA-N 455.555 4.224 50 10 JIGE Cc1nn(-c2ccccc2)c(N2CCN(C)CC2)c1CN(CC(C)C)C(=O)C(C)(C)CCl 34834368 VCHMGUAEAFIWDI-UHFFFAOYSA-N 460.066 4.182 50 10 JIGE C=CCOc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1ccc([N+](=O)[O-])cc1OC 35340531 SDSQDVNCAATJBT-ZROIWOOFSA-N 458.268 4.476 50 10 JIGE COc1ccc(CCNc2ncnc(NNC(=O)C(c3ccccc3)c3ccccc3)c2N)cc1OC 40683943 HUCZEBGKUVLKSY-UHFFFAOYSA-N 498.587 4.006 50 10 JIGE O=C(Cc1cccc2ccccc12)N/N=C1\C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 59147019 YTXLNSCEONENGW-WCTVFOPTSA-N 464.481 4.358 50 10 JIGE COc1ccc(C(=O)NC2=N/C(=C(\C#N)C(=O)Nc3cc(C)cc(C)c3)c3ccccc32)cc1OC 102600620 VFBRGOQEIAJGET-YYDJUVGSSA-N 480.524 4.384 50 10 JIGE CC(C)(C)C1=Cc2oc3c(c2/C(=C\NNC(=O)c2cc(=O)[nH]c4ccccc24)C1=O)CCCC3 137890678 HVHWABGNFVJNCP-NBVRZTHBSA-N 457.530 4.288 50 10 JIGE O=C(NN=Cc1ccc(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1)c1ccncc1 254527002 AHEWYZAATOAYRT-UHFFFAOYSA-N 465.465 4.284 50 10 JIGE O=S(=O)(NC1CCC(CBr)CC1)c1cc(Br)ccc1Br 312648463 SYOPMDIUTFWNCE-UHFFFAOYSA-N 490.055 4.444 50 10 JIGE Cn1ncc([C@H](Br)c2cc3nc(O)[nH]c3cc2Br)c1Br 381831662 WXZAPIRFYPTEJY-SNVBAGLBSA-N 464.943 4.011 50 10 JIGE COCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@@H](C)C(=O)Nc2c(C(C)=O)oc3ccccc23)c1C 897567936 FVDBIGJPNHLIHX-YNGKYYQNSA-N 477.517 4.178 50 10 JIGE O=C(NN=C1C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc21)c1cccc(Br)c1 1083910175 SWRNIJMXMXMDTB-UHFFFAOYSA-N 479.290 4.038 50 10 JIGE Cc1ccc(-n2c(C)cc(C=NNC(=O)C(=O)Nc3ccccc3Br)c2C)cc1 1084243889 JTRWQUFNBUJJLL-UHFFFAOYSA-N 453.340 4.254 50 10 JIGE C#CCCN1CCN(C(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)CC1 1598457304 IKJZVCGVKXPAFD-HMMYKYKNSA-N 455.389 4.475 50 10 JIGE C#CC[C@@]1(C(=O)NNC(=S)Nc2ccc(CCCC)cc2)CCCN1C(=O)OC(C)(C)C 1624319518 HAPJHCYBYYGPFX-DEOSSOPVSA-N 458.628 4.140 50 10 JIGE O=S(=O)(N[C@@H](CCBr)C(F)(F)F)c1cc(Cl)c(Br)s1 1918521140 IFQQZKGIQNCVFW-YFKPBYRVSA-N 465.538 4.158 50 10 JIGE O=C(N[C@H](CCCl)C(F)F)c1cc(Br)ccc1I 1918583043 HGVNQVMSJMERKP-SECBINFHSA-N 452.464 4.046 50 10 JIGE CCOC(=O)Cc1c(I)ccc(OC(F)(F)F)c1CBr 2055275678 NGOMDJCTVBPAMO-UHFFFAOYSA-N 467.019 4.190 50 10 JIGE O=C(CCl)c1cc(I)c(I)c(C(F)(F)F)c1 2060041130 YTRKWQLCOLSNQY-UHFFFAOYSA-N 474.385 4.336 50 10 JIGE Cc1ccnc(-n2nc(CBr)c(I)c2C(F)(F)F)c1F 2078928102 WEUDZJOVJLETBB-UHFFFAOYSA-N 463.998 4.233 50 10 JIGE C[C@@]1(NC(=O)c2ccc(Br)cc2I)CCC[C@H]1Br 2086139556 QBLCLKYMZRNSKM-DGCLKSJQSA-N 486.973 4.490 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CC[C@](F)(CBr)C1 2086148043 VYRWZEVMAKGZGH-LBPRGKRZSA-N 490.936 4.003 50 10 JIGE CCCN1CC[C@H]([C@@H](Cl)c2csc(Br)c2Br)S1(=O)=O 2093945118 WBAYWIVKFAEEMD-SCZZXKLOSA-N 451.633 4.367 50 10 JIGE CCCn1cc(Br)cc1C(=O)NCCSSCCNC(=O)OC(C)(C)C 2125300798 VBTJGGOYMLJHSU-UHFFFAOYSA-N 466.467 4.297 50 10 JIGE C[C@H]1CCN(C(=O)c2ccc(Br)cc2I)C[C@H]1CCl 2142289495 QKGYVSVXNFIPPD-VHSXEESVSA-N 456.549 4.391 50 10 JIGE O=S(=O)(c1cc(Cl)c(Br)s1)N1[C@H]2CC[C@H]1[C@@H](F)[C@@H](Br)C2 2190678358 LCHOEIGZRKYFTJ-NVGOVIIQSA-N 467.607 4.191 50 10 JIGE O=C(CCCNC(=O)OCC1c2ccccc2-c2ccccc21)N[C@H]1C[C@@H](Br)C1 2241636329 BJEDSHFKKZFJEU-IYBDPMFKSA-N 457.368 4.347 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1[C@H]2CC[C@H]1CC(Br)C2 2268359194 PTDAIWGAPNKUER-QWRGUYRKSA-N 454.533 4.475 50 10 JIGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)c(Br)c(Br)c1O 2294171911 IVHHGAOTZFZEIW-UHFFFAOYSA-N 466.129 4.149 50 10 JIGE C[C@H](Br)COCc1cn(Cc2cc(Br)ccc2Br)nn1 2295793596 BZQVKBALFGWTKK-VIFPVBQESA-N 467.987 4.151 50 10 JIGE CCN(C[C@](C)(CI)OC1CC2(CC(OC)C2)C1)C(=O)OC(C)(C)C 2314655171 YCLWUAVPDBAIJK-XHVMPKOQSA-N 467.388 4.411 50 10 JIGE COc1ccc(C(=O)NNC(=O)c2ccccc2OCCc2ccccc2)cc1Br 10509131 DHQUVYGFZNXEEJ-UHFFFAOYSA-N 469.335 4.154 50 10 JIGE Cc1cc2c(cc1Br)NC(=O)/C2=N\NC(=O)[C@H](C)Oc1ccc2ccccc2c1 14031536 KRMYRIGLMDYJEE-ZDUSSCGKSA-N 452.308 4.151 50 10 JIGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=O)c1ccccc1OCCOc1ccccc1 14040545 QJVBMMVWNGJVOS-FQEVSTJZSA-N 462.546 4.498 50 10 JIGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(C)cc3)n2-c2ccccc2)cc1 19849235 CKLHJLQLVOZANW-UHFFFAOYSA-N 457.559 4.494 50 10 JIGE COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c1OCC(=O)Nc1ccc(C)cc1 33652143 KUUYIDJFUXEEFI-XMHGGMMESA-N 457.486 4.272 50 10 JIGE O=C(NNC(=O)c1ccc(-n2nc(C(F)(F)F)c3c2-c2ccoc2CC3)cc1)c1ccc(F)cc1 39852176 MPJXMKUQJKVDBL-UHFFFAOYSA-N 484.409 4.464 50 10 JIGE Nc1c(NNC(=O)COc2ccc(Cl)cc2Cl)ncnc1Nc1cccc2cccnc12 40758408 BHYJGOFJZFQIBQ-UHFFFAOYSA-N 470.320 4.180 50 10 JIGE CCc1nn2c(=O)cc(COc3ccc(/C=C(/C#N)c4nc5ccccc5[nH]4)cc3)nc2s1 50806580 KTJLZUNGOPNIHI-WJDWOHSUSA-N 454.515 4.233 50 10 JIGE O=C(COc1ccc(Cl)cc1Cl)N/N=C1\C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 59154544 LTZLCESWDHVSNW-QYQHSDTDSA-N 499.310 4.348 50 10 JIGE O=S(=O)(Nc1ccc(F)cc1I)c1ccc(CBr)cc1 128151225 HUJORMDKFBNRMY-UHFFFAOYSA-N 470.101 4.126 50 10 JIGE CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)C[C@@H]1O[Si](C)(C)C(C)(C)C 195804628 DKEAALKCPSPQCU-BQFCYCMXSA-N 456.732 4.236 50 10 JIGE C[C@@H](C[C@@H](C)Br)NC(=O)c1cc(I)ccc1Br 235188269 SUUSFJKWEGSNRY-SFYZADRCSA-N 474.962 4.346 50 10 JIGE CC[C@@H](Nc1ccc(I)cc1)C(=O)NN=Cc1ccc(N(CC)CC)cc1 254900761 CWMOHNDVCFXTOG-HXUWFJFHSA-N 478.378 4.478 50 10 JIGE CN(C[C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(CCl)sc1Br 383188061 SIULLKHVIXACHB-HNNXBMFYSA-N 477.877 4.392 50 10 JIGE COc1cc(C=NNC(=O)c2ccccc2[N+](=O)[O-])cc(Cl)c1OCc1ccc(C(=O)O)cc1 1082988564 RRRPMYJYANQAKN-UHFFFAOYSA-N 483.864 4.298 50 10 JIGE CCCN(CCC)c1ccc(C(=O)NN=C2C(=O)N(CCN3CCCCC3)c3ccccc32)cc1 1083970621 WUSYDPHHIAVIGA-UHFFFAOYSA-N 475.637 4.280 50 10 JIGE C#CCNC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(OC)cc2)c1C 1125559330 BAUMAHMWXJBMLS-PGMHBOJBSA-N 452.514 4.011 50 10 JIGE COC(=O)c1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccccc1OC)CCC2 1772745739 FYTPNOVKYCWFRF-UHFFFAOYSA-N 475.501 4.106 50 10 JIGE COC(=O)c1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2ccccc2)CCC3)cc1 1772747894 GQDDZVQIAZEKCZ-UHFFFAOYSA-N 459.502 4.026 50 10 JIGE CC[C@@H](NC(=O)Cc1nc(-c2ccc(F)cc2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866659521 HGLQGRCLSUSBPN-LJQANCHMSA-N 452.511 4.438 50 10 JIGE N#CSc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)n([C@H]3CCS(=O)(=O)C3)n2)cc1 1868165571 QSCBAZGZVLBDDM-KRWDZBQOSA-N 472.979 4.389 50 10 JIGE CCCCCCCCCOc1ccc(/C=N/NC(=O)Cn2c(O)nc3ccccc3c2=O)cc1OC 1873793002 YZFYYWMUTSAZPX-MTDXEUNCSA-N 494.592 4.390 50 10 JIGE COc1ccc(OC)c(-c2csc(/C(C#N)=C(\O)c3ccc(NS(C)(=O)=O)cc3)n2)c1 1873920854 LBIHWCLORBFFRZ-JZJYNLBNSA-N 457.533 4.149 50 10 JIGE C[C@H]1CCN(Cc2ccccc2)CCN1S(=O)(=O)c1cc(CCl)oc1Br 1885130455 FKKGBDHNJLXMME-AWEZNQCLSA-N 461.809 4.066 50 10 JIGE CC(C)[C@@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1cccc2nsnc12 1915300062 LLNSBESZPSILRO-MRXNPFEDSA-N 454.415 4.302 50 10 JIGE CC(C)(C)OC(=O)Nc1cc(I)cc(C(=O)NC2CC(Br)C2)c1 1986069377 NPLJJUOBEUUSOG-UHFFFAOYSA-N 495.155 4.294 50 10 JIGE CC1(C)CN(c2ncc(I)cc2Br)[C@@H]1CBr 1988536119 IMARMUFFFADLEJ-SECBINFHSA-N 459.951 4.058 50 10 JIGE CCOC(=O)Cc1cc(CBr)c(I)cc1Br 2054989362 MTMRWFCDMJEKCH-UHFFFAOYSA-N 461.919 4.054 50 10 JIGE O=S(=O)(C[C@@H](Br)c1cc(Br)cc(Br)c1)N1CCCC1 2089388396 CGTLZQMLMDYCDG-GFCCVEGCSA-N 476.028 4.073 50 10 JIGE C[C@]1(CCBr)CCN(S(=O)(=O)c2cc(Cl)c(Br)s2)C1 2131897770 YYARHOZFHRHECR-NSHDSACASA-N 451.633 4.350 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@H]2CC[C@]2(CCl)C1 2142283047 KZLNURFLTVFJFE-OTYXRUKQSA-N 454.533 4.145 50 10 JIGE CC(C)(C)OC(=O)N1CC[C@](NC(=O)c2ccc(CBr)cc2)(C(F)(F)F)C1 2162589905 VOVDPHIGISZETO-QGZVFWFLSA-N 451.283 4.253 50 10 JIGE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ccc(CBr)cc2)C[C@@H]1C(F)(F)F 2163051876 XOAATKGYFJKRMR-UONOGXRCSA-N 451.283 4.109 50 10 JIGE COc1ccc(O[C@@H]2C[C@@H](Br)[C@@H]2OCC(C)C)cc1I 2165551386 MITOTKDZQHHZCE-DFBGVHRSSA-N 455.130 4.256 50 10 JIGE C[C@@H]1CN(S(=O)(=O)Cc2cccc(CBr)c2)[C@H](C)CN1Cc1ccccc1 2179788388 BSSFXQQXQINWOP-QZTJIDSGSA-N 451.430 4.006 50 10 JIGE Cc1c(CBr)cccc1S(=O)(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1 2179796048 ZAUAUMVIKXGHGC-KRWDZBQOSA-N 451.430 4.033 50 10 JIGE C[C@H]1Cc2cc([C@@H](Br)c3nn(C)nc3Br)cc(Br)c2O1 2235267046 YQXCPLAGSQWXOO-QUBYGPBYSA-N 465.971 4.148 50 10 JIGE CCOc1cc(C=C(C#N)c2nc3ccc(OC)cc3[nH]2)cc(Br)c1OCC(=O)O 2294284592 JVIZRYFAYNHLFR-UHFFFAOYSA-N 472.295 4.260 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@@H](Br)[C@H](C2CC2)C1 2295310016 QRNYIXXYWBIOKZ-UONOGXRCSA-N 466.011 4.386 50 10 JIGE COc1ccc(-c2nnc(SCC(=O)NN=CC=Cc3ccco3)n2-c2ccc(OC)cc2)cc1 2297450115 KIIJIIDVBSUBHZ-UHFFFAOYSA-N 489.557 4.452 50 10 JIGE C=CC[C@@H](Br)[C@H]1CCN1c1ncc(I)cc1Br 2299358064 SLGUBGLCLSNQLN-MWLCHTKSSA-N 471.962 4.367 50 10 JIGE COc1cc(C=NNC(=O)c2cccn(Cc3ccccc3Cl)c2=O)ccc1OC(C)C 2323652836 HHEABCHQRFKCLG-UHFFFAOYSA-N 453.926 4.110 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)[C@H](Br)C2CCCC2)[C@H]1C(F)(F)F 2370173281 VQAQRVUCDHDPNR-MJBXVCDLSA-N 457.331 4.387 50 10 JIGE COc1ccc(SCCC(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)cc1 12611032 XOGJVFLPAKXQLY-UHFFFAOYSA-N 454.523 4.357 50 10 JIGE Cc1ccc(-c2nnc(S)n2CC(=O)NNC(=O)c2cc3c(s2)CC[C@H](C(C)(C)C)C3)cc1 21969397 DZCNRRWCQOEAKY-KRWDZBQOSA-N 483.663 4.216 50 10 JIGE COc1ccc(C=NNC(=O)c2cccnc2)cc1COc1c(F)c(F)c(F)c(F)c1F 22531552 KUOXXKPCONARPH-UHFFFAOYSA-N 451.351 4.129 50 10 JIGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2F)cc(Br)c1OC(C)=O 33344043 NBNBSQDLUQKUNJ-MLPAPPSSSA-N 492.257 4.366 50 10 JIGE COc1cccc(NC(=O)/C(C#N)=C/c2c(Oc3ccccc3F)nc3ccccn3c2=O)c1 39992994 HXLDNRGMJUPHCX-DTQAZKPQSA-N 456.433 4.180 50 10 JIGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(C)n(-c3cccc(C(=O)O)c3)c2C)cc1 58893405 YFAUXQXCPBTCRG-GJVLPJBHSA-N 463.534 4.155 50 10 JIGE COc1cc2ccccc2cc1C(=O)N/N=C1/C(=O)N(CC(=O)Nc2ccc(C)cc2)c2ccccc21 59155010 OSGWBELAWMJIRN-TVKQRKNISA-N 492.535 4.276 50 10 JIGE CCOc1ccc(-n2c(SCC(=O)NN=Cc3cccc(O)c3)nnc2-c2ccccc2)cc1 254845842 MVIJFELENRIIDU-UHFFFAOYSA-N 473.558 4.281 50 10 JIGE CN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(CCl)cc1Br 380514260 AKWPICZJPVQPNA-UHFFFAOYSA-N 471.848 4.473 50 10 JIGE C[C@H]1CN(S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)C[C@H]1Br 387519747 ACBBQXQFOLALAH-POYBYMJQSA-N 451.995 4.160 50 10 JIGE C[C@H](Br)C[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)c(Br)s1 387963512 RUDPTSVYKCFGKM-YUMQZZPRSA-N 451.633 4.491 50 10 JIGE ClCc1ccc(Cl)cc1-n1cnc(I)c1I 393651201 PFMKSMURNRSMIG-UHFFFAOYSA-N 478.886 4.474 50 10 JIGE CC(=NNC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1)c1ccc(Cl)cc1 1084470144 HFKGKSOEHVLNJG-UHFFFAOYSA-N 455.967 4.384 50 10 JIGE CCN1C(=O)C(=NNC(=O)c2cc(-c3ccccc3)nc3ccccc23)c2cc(OC)ccc21 1772720606 PVBGOUHZLRKTCC-UHFFFAOYSA-N 450.498 4.411 50 10 JIGE CCCOc1ccc(/C=N/NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1OCC 1860773808 FXEWCLFVWVMVFV-WUEDZOSBSA-N 496.633 4.482 50 10 JIGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Br)cc2)c(OC)c1 1865708262 RUCSPTWCAUHPNI-FQEVSTJZSA-N 467.323 4.179 50 10 JIGE COC[C@@](C)(CBr)CNC(=O)c1cc(Br)c(Br)s1 1926989061 DQSSAMNFJBQBNO-NSHDSACASA-N 464.017 4.051 50 10 JIGE O=C(NCC[C@@H](Br)C1CC1)c1ccc(I)c(Br)c1 2029913508 DSYHBMVHWKNYDS-SNVBAGLBSA-N 486.973 4.347 50 10 JIGE BrCc1ccc(Br)cc1N1C[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2036445253 KKUYJBLIWSMDNH-UXHICEINSA-N 466.217 4.434 50 10 JIGE CN1CCC[C@@H]([C@@H](Br)c2cc(Br)cc(Br)c2)S1(=O)=O 2089533440 ZCORIYQLGKSWKJ-RYUDHWBXSA-N 476.028 4.072 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CC[C@@H]2[C@@H](CBr)[C@@H]2C1 2093133207 ALHJIIHTSHUPOL-GMTAPVOTSA-N 498.984 4.157 50 10 JIGE Brc1cccc(CN2CC3(C2)OCCC[C@@H]3Br)c1Br 2103421566 BZDKOJHCKCHEOF-LBPRGKRZSA-N 454.000 4.340 50 10 JIGE ClCCCOC1CCN(c2ncc(I)cc2Br)CC1 2142527062 MBKCDIKUUJQLLG-UHFFFAOYSA-N 459.553 4.063 50 10 JIGE FC(F)(F)c1cnc(N2C[C@@H]3C[C@H](C[C@@H]3Br)C2)c(I)c1 2163566382 WBSAQLHUNJWLSW-WEDXCCLWSA-N 461.063 4.315 50 10 JIGE Cc1ccc(CBr)cc1S(=O)(=O)N1CCN(Cc2ccccc2)CC1(C)C 2179780721 SSQXAAPDVHVSAK-UHFFFAOYSA-N 451.430 4.175 50 10 JIGE CC1(C)OCCO[C@@H]1CO[C@H](CI)c1ccccc1Br 2186961176 AWYQOLNJYXCNHA-ZIAGYGMSSA-N 455.130 4.136 50 10 JIGE CN(C[C@H]1C[C@@H](Br)C1)S(=O)(=O)c1cc(CBr)ccc1Br 2196930357 RXDYVRJDBCZQCO-PHIMTYICSA-N 490.055 4.138 50 10 JIGE COc1cc(CBr)cc(OC)c1OC[C@H]1CC1(Br)Br 2224802449 VMVKUHSQKMWIFM-SECBINFHSA-N 458.972 4.484 50 10 JIGE C[C@H]1Cc2cc([C@H](Br)c3nn(C)nc3Br)cc(Br)c2O1 2235267047 YQXCPLAGSQWXOO-WKEGUHRASA-N 465.971 4.148 50 10 JIGE O=C(NC[C@@H]1CC[C@@H](CBr)CO1)c1c(Br)cccc1Br 2279401647 MUXWFJXPCDCXNY-UWVGGRQHSA-N 469.999 4.132 50 10 JIGE COc1cc(C=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2Cl)ccc1O 2297321157 LZKRXLLCNPFBSO-UHFFFAOYSA-N 492.963 4.041 50 10 JIGE CC(C)(CI)CN1CCN(C(=O)OC(C)(C)C)[C@@H](CC(F)(F)F)C1 2306814222 AOUULAZYAUQPPD-LBPRGKRZSA-N 464.310 4.321 50 10 JIGE CC(C)(C)OC(=O)N1CCC(CI)(OCc2ncc3ccccn23)CC1 2352609731 XIMWOEHIONCENS-UHFFFAOYSA-N 471.339 4.056 50 10 JIGE ClC[C@@H](Cc1ccc(Br)cc1)Cc1ncc(I)cn1 2353297167 PPMORHYOJJCOCH-NSHDSACASA-N 451.533 4.484 50 10 JIGE CC[C@@H](Cl)[C@H]1CCCCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364214961 QQAPIBFUAFSWKP-WOJBJXKFSA-N 455.020 4.045 50 10 JIGE O=C(c1c(Br)cccc1Br)N(CCBr)C1CCOCC1 2381893588 DINXUZVNZWFKSA-UHFFFAOYSA-N 469.999 4.228 50 10 JIGE CC[C@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc([C@H](C)CC)cc2)cc1 10295972 LSJRRXDSXJMNHA-SJORKVTESA-N 457.596 4.092 50 10 JIGE CC(C)(C)c1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2-c2ccccc2)cc1 13980063 NZMWASCRGLSAEN-UHFFFAOYSA-N 461.587 4.366 50 10 JIGE Cc1cccc(OCC(=O)NNC(=O)COc2ccc(-c3ccccc3)cc2Br)c1 14642180 KRPRTKCIAFEINW-UHFFFAOYSA-N 469.335 4.030 50 10 JIGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)Cc2ccc(Cl)cc2)c(Br)c1 14832331 PKCKZYZLFBHECE-ZDUSSCGKSA-N 453.764 4.385 50 10 JIGE Cc1ccc2cccc(Oc3ncnc(NNC(=O)c4ccc(Cl)cc4)c3[N+](=O)[O-])c2n1 40618651 XBIVBQKPEBCKOJ-UHFFFAOYSA-N 450.842 4.444 50 10 JIGE COc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)cc1 59087076 RWGZPVHAVLJOFP-OQKWZONESA-N 456.546 4.485 50 10 JIGE O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N/N=C/c1cc(Br)ccc1O 59462377 PZNOJPAYQHVKHT-NUGSKGIGSA-N 475.221 4.034 50 10 JIGE N#C/C(=C/NCc1cccc(F)c1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216509467 KBZOJABICDDMNK-DAFNUICNSA-N 454.549 4.257 50 10 JIGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2ccccc2C(F)(F)F)sc2c1CC[C@H](C)C2 254497427 HRQZTLXBMMDPFX-LBPRGKRZSA-N 481.496 4.157 50 10 JIGE COc1cc(OC)c(C=NNC(=O)CSc2nc3ccccc3n2Cc2ccccc2)c(OC)c1 254507950 UFNZBUWNJVDWQG-UHFFFAOYSA-N 490.585 4.353 50 10 JIGE COc1ccc([C@@H]2c3sc(=S)[nH]c3S[C@@H]3[C@H]4C[C@@H]([C@@H]5C(=O)OC(=O)[C@H]54)[C@H]23)cc1OC 256024393 GITDHNQDBYHNKA-BGBUHXQWSA-N 461.586 4.011 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CCC[C@H](Br)CC1 378688296 GNPDUPPZCCDQQE-VIFPVBQESA-N 486.973 4.443 50 10 JIGE C[C@H]1[C@@H](Br)CCCN1S(=O)(=O)c1cc(Br)ccc1Br 395019769 XZTQBLKUYYQBJU-WPRPVWTQSA-N 476.028 4.148 50 10 JIGE C[C@@H]1CN(S(=O)(=O)c2cc(Br)ccc2Br)C[C@@]1(C)CBr 694712429 ANAOXFOYFUCDTR-NOZJJQNGSA-N 490.055 4.253 50 10 JIGE CSCC(=O)Nc1ccc(OC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)cc1 920293916 BSVJAKVQFXXKJT-XMHGGMMESA-N 471.542 4.278 50 10 JIGE O=C(CCCNc1ccccc1)NN=Cc1cc(Br)c(O)c(Br)c1 1083944891 XYGREFVLDWZMGB-UHFFFAOYSA-N 455.150 4.260 50 10 JIGE C=CC(=O)Nc1cc(NC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)ccc1F 1545272932 VEIXKYVOBSZBJC-AQTBWJFISA-N 454.465 4.273 50 10 JIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)cc(OC)c1O 1865715075 VHXBXDHVHMLDRH-QGZVFWFLSA-N 490.413 4.030 50 10 JIGE COc1ccccc1NCCC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1866889818 AJOHLRSEMSXZRW-QHCPKHFHSA-N 474.586 4.437 50 10 JIGE CN(C[C@H](Br)COCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1F 1916363487 AOUQVGOYZNCFBK-HNNXBMFYSA-N 495.208 4.189 50 10 JIGE CN(CC1CC(Br)C1)C(=O)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2020199877 XLGUTVRIBFOUPP-UHFFFAOYSA-N 494.474 4.178 50 10 JIGE O=C(c1cc(Br)ccc1Br)N1C[C@@H]2C[C@H](C[C@H]2Br)C1 2107292445 IYILPVMSXTUKNB-VYUIOLGVSA-N 451.984 4.457 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1[C@H]2CC[C@@H](C2)[C@@H]1CCl 2122173714 OXYNDPOLPYIBDH-FWDPORAESA-N 454.533 4.286 50 10 JIGE Cc1cc(S(=O)(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)sc1CBr 2123244715 ZYRDEINGGCTWCI-INIZCTEOSA-N 457.459 4.237 50 10 JIGE CC[C@H](Br)CN(Cc1ccccc1)S(=O)(=O)Cc1ncsc1Br 2210633243 WKUPYPUCEDLLLR-ZDUSSCGKSA-N 482.263 4.411 50 10 JIGE CCC(CBr)(CBr)NC(=O)c1ccc(C)c(I)c1 2217859794 VTBDWDDOQOBSOB-UHFFFAOYSA-N 488.989 4.268 50 10 JIGE C[C@@H](Cl)c1nc2cncnc2n1-c1ccc(I)cc1Br 2235283169 CRRFRNJBFZHDBN-SSDOTTSWSA-N 463.504 4.482 50 10 JIGE COc1ccc(Br)c(CBr)c1OCc1cn(C)nc1Br 2236042567 HMUBRNAZLUOPEF-UHFFFAOYSA-N 468.971 4.428 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1[C@H](CBr)[C@H]2CC[C@@H]1C2 2268338997 BNQDFRBSYAFILJ-IYYTYJHQSA-N 454.533 4.333 50 10 JIGE C[C@H]1CN(C(=O)c2ccc(Cl)c(I)c2)C[C@@H](C)[C@@H]1Br 2268352217 YUJROMPWLXDMDJ-WOFXILAISA-N 456.549 4.436 50 10 JIGE CS(=O)(=O)C1CC([C@@H](Br)Cc2cc(Br)cc(Br)c2)C1 2277957103 SKJLHOOXXIAHFG-LDUAJXOISA-N 475.040 4.341 50 10 JIGE C[C@@H](Br)COCc1cn(-c2ccc(Br)cc2Br)nn1 2278382985 PXMKVCJNMMKJQU-MRVPVSSYSA-N 453.960 4.092 50 10 JIGE CCOc1cc(C=C(C#N)C(=O)N(C)C)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 2294155931 IUNPXGRWGVOOFR-UHFFFAOYSA-N 474.311 4.330 50 10 JIGE Cc1ccc(C=C2SC(=S)N(CCCC(=O)NNC(=O)c3ccc(Cl)cc3)C2=O)cc1 2296301189 HBGQQBZXIXNYTB-UHFFFAOYSA-N 474.007 4.091 50 10 JIGE COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cc(SC)sc2OC)cc1 2297298844 CZDURYBEVSYPGB-UHFFFAOYSA-N 481.599 4.408 50 10 JIGE Cc1occc1C(=O)C(C#N)=CN=[S@@](C)(=O)c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 2297565008 RWLXQOBGFUFBBK-YTTGMZPUSA-N 452.448 4.431 50 10 JIGE C=C(C=CCBr)S(=O)(=O)c1nc(-c2ccc(Cl)cc2)oc1NCCOC 2314521038 GKXRZMIPCBLLDW-UHFFFAOYSA-N 461.765 4.292 50 10 JIGE CCCOc1ccccc1C=C(C#N)C(=O)Oc1ccc(C=C(C#N)C(=O)NC(C)C)cc1OC 2314774139 VAWRJGKMAZEXBN-UHFFFAOYSA-N 473.529 4.428 50 10 JIGE Clc1ccc(CN2[C@H](CBr)C[C@@H]3OCC[C@@H]32)c(I)c1 2341032775 PDHFWANYOTZJHC-UBHSHLNASA-N 456.549 4.071 50 10 JIGE CC[C@@H](Oc1cccc(C)c1)C(=O)NNC(=O)COc1ccc(C(C)C)cc1Br 14023424 JJZSFOZGQAOGIS-LJQANCHMSA-N 463.372 4.265 50 10 JIGE Cc1cc(/C=N/NC(=O)Nc2ccc(Cl)cc2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 59678964 XEOOHGOQGGBJGJ-BHGWPJFGSA-N 454.870 4.300 50 10 JIGE CC(C)[C@@H](CBr)COc1c(I)cc(C#N)cc1[N+](=O)[O-] 96871144 SYAZRPNEHQQKHA-JTQLQIEISA-N 453.074 4.117 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1CC[C@H](CCBr)C1 125196658 UFCKZLUUQXGIHY-VIFPVBQESA-N 476.028 4.007 50 10 JIGE COc1ccc(C(C)=NNC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(OC)cc2)cc1 254395181 CEKLJFUMHFVIHU-UHFFFAOYSA-N 488.569 4.035 50 10 JIGE CC(C)[C@H](CBr)CNS(=O)(=O)c1cc(Br)ccc1Br 394168983 DCTHMHLSVWSQQP-SECBINFHSA-N 478.044 4.157 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N[C@@H](CBr)C2CCC2)cc1Br 717583084 KJTIABLGJXMJFI-LBPRGKRZSA-N 490.055 4.362 50 10 JIGE O=C(NNC(=O)c1cnn(-c2ncc(Cl)cc2Cl)c1C(F)(F)F)c1ccc(Cl)cc1 730736467 NTGXHWYTLCCQSY-UHFFFAOYSA-N 478.645 4.321 50 10 JIGE COc1cc(C=NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)ccc1OC(=O)c1ccncc1 916334949 HEKHAQCYCAJRQJ-SFHVURJKSA-N 469.497 4.380 50 10 JIGE Cc1cc(C=NNC(=O)Nc2ccc(Cl)cc2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 1084504000 XEOOHGOQGGBJGJ-UHFFFAOYSA-N 454.870 4.300 50 10 JIGE C#CCCCNC(=O)NNc1c(Br)cc(Br)cc1Br 1227841678 QNUBSTDRLUIFJR-UHFFFAOYSA-N 453.960 4.014 50 10 JIGE Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)oc2c1C(=NNC(=O)c1ccc(F)cc1)CCC2 1772745191 SWXXDWNNAPTESE-UHFFFAOYSA-N 492.526 4.299 50 10 JIGE Cc1c(C(=O)Nc2ccc(Br)cc2)oc2c1C(=NNC(=O)c1ccccn1)CCC2 1772747125 LFFDDANINMQHTG-UHFFFAOYSA-N 467.323 4.468 50 10 JIGE BrC[C@H]1C=CCN1Cc1ccc(I)c(Br)c1 1904327684 PHLJCDFXILVFTC-SNVBAGLBSA-N 456.947 4.189 50 10 JIGE O=S(=O)(c1ccc(Br)c(CBr)c1)N1CC[C@@H](OCc2ccccc2)C1 2059390973 WEIAYGSLBJHGDU-MRXNPFEDSA-N 489.229 4.324 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CN(C(=O)OC(C)(C)C)[C@@]2(CCCOC2)C1 2061262900 WDEPBAXUNLNEGJ-JTSKRJEESA-N 491.720 4.041 50 10 JIGE C[C@@H]1CCN(C(=O)c2ccc(Br)cc2I)[C@H]1CBr 2086146493 ALIOLSGFNTYWKN-PELKAZGASA-N 486.973 4.299 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CC[C@@H]2[C@@H](CBr)[C@@H]2C1 2093138397 SZYCNDYRGYEEOC-YUSALJHKSA-N 498.984 4.157 50 10 JIGE O=C(N[C@@H]1C[C@H](CBr)[C@@H]2C[C@@H]12)c1cc(Br)ccc1Br 2110549097 LOKCHAMTCPROQZ-ISCDUZKHSA-N 451.984 4.361 50 10 JIGE BrC[C@@H]1CN(Cc2c(Br)cccc2Br)C2(CC2)CO1 2127554482 DGHJIHQQYYDTFY-SNVBAGLBSA-N 454.000 4.340 50 10 JIGE CC1(C)CCN(C(=O)c2cccc(F)c2I)C[C@@H]1CBr 2148668228 ABSSSERFKZFBGD-JTQLQIEISA-N 454.121 4.314 50 10 JIGE O=C(c1ccc(I)c(O)c1)N1CCC[C@@H](CCBr)CC1 2149738129 DSDRSMPJZGTRRF-NSHDSACASA-N 452.130 4.024 50 10 JIGE CC(C)(C)OC(=O)NC[C@H]1CN(CCCCCI)C[C@H]1C(F)(F)F 2214711943 RJARUXGAYROENX-QWHCGFSZSA-N 464.310 4.227 50 10 JIGE CC[C@@H](C)[C@H](CI)NC(=O)c1ccc(C)c(I)c1 2217853476 UWWYITXFTJGNHQ-RNCFNFMXSA-N 471.120 4.179 50 10 JIGE CS(=O)(=O)C1CC([C@@H](Br)c2ccc(Br)cc2Br)C1 2257522851 BEFMDXNPDPODPM-YHBRXECLSA-N 461.013 4.471 50 10 JIGE O=S1(=O)C[C@H]2C([C@@H](Br)c3c(F)cc(Br)c(F)c3Br)[C@@H]2C1 2288345112 BVYGRPWABJJWOU-FJNYAOGASA-N 494.977 4.216 50 10 JIGE CCCOC(=O)c1cc(-c2ccc(C=C3C(=O)N(CCCO)C(=O)C(C#N)=C3C)o2)ccc1Cl 2297310585 LSZZQVKLNPOCRS-UHFFFAOYSA-N 482.920 4.141 50 10 JIGE CC(=O)Nc1cccc(NC=C(C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 2324605961 CGBUISUPRZMXPJ-UHFFFAOYSA-N 479.584 4.398 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1CC[C@H](Br)[C@@H]2CC[C@H]21 2340066904 WAOWXDBAWRLDCS-XHVZSJERSA-N 454.533 4.333 50 10 JIGE COC[C@@]1(CBr)C=CCN1C(=O)c1cc(Br)ccc1Br 2379849530 LHBSFLOURVMHPM-AWEZNQCLSA-N 467.983 4.004 50 10 JIGE CCc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)NC)N(c3ccc(Br)cc3)C2=O)cc1 2438483 BIQQWYJGESHKBV-HXTJDARSSA-N 470.392 4.184 50 10 JIGE Cc1c(NC(=S)NC[C@@H](Cl)Cc2ccc(Br)cc2)c(=O)n(-c2ccccc2)n1C 3051940 BWNVPIPTLIQUFF-KRWDZBQOSA-N 493.858 4.383 50 10 JIGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(=S)NNC(=O)COc1ccc2ccccc2c1 12570045 QIMURUGXNFKBKZ-CYBMUJFWSA-N 492.384 4.015 50 10 JIGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)Cc2ccc(Cl)cc2)c(Br)c1 14001917 SXAYKFNACCVNSF-UHFFFAOYSA-N 453.764 4.169 50 10 JIGE CCCOc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)CCC)cc2)cc1Br 14647316 OELCDQBXXJBPMG-UHFFFAOYSA-N 462.344 4.051 50 10 JIGE Nc1c(NNC(=O)c2ccccc2Br)ncnc1Nc1cccc(Br)c1 40784979 MABCNBOSIAOVGW-UHFFFAOYSA-N 478.148 4.084 50 10 JIGE Cc1c(C(=O)NCCc2cccs2)oc2c1/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 40812275 XEACMNGIDPUCPJ-XIEYBQDHSA-N 466.519 4.001 50 10 JIGE O=C(N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 96286791 MSOJEZPNIWWZQG-BHGWPJFGSA-N 456.817 4.109 50 10 JIGE O=C(c1cc(Br)ccc1I)N(CCBr)C1CCC1 232486687 OWZBJUYMPDNATH-UHFFFAOYSA-N 486.973 4.443 50 10 JIGE CCOc1ccc(N[C@H](C)C(=O)NN=Cc2cc(Br)cc(Br)c2O)cc1 252621092 MSPZMTHOROMDHK-LLVKDONJSA-N 485.176 4.267 50 10 JIGE C=CCn1c(SCC(=O)NC[C@]2(C)C[C@H]2Br)nnc1-c1ccc(Cl)cc1 1131376349 ZHPPSDYZJREOLE-KDOFPFPSSA-N 455.809 4.166 50 10 JIGE CC(=O)N1Cc2ccc(NC(=O)NNc3cc(C(F)(F)F)ccc3Br)cc2C1 1659653807 PIFXXEHTJLXRJF-UHFFFAOYSA-N 457.250 4.479 50 10 JIGE CCOc1ccc(OCC(=O)N/N=C2\C(=O)N(Cc3ccccc3Cl)c3ccccc32)cc1 1860822423 DJQWJXFDUMVUHY-COOPMVRXSA-N 463.921 4.185 50 10 JIGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccccc1C(=O)O)C(C#N)=C(N)O2 1865704409 VBSFNJYUJBDHOU-SFHVURJKSA-N 465.307 4.114 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2F)[C@@H]1c1ccccc1C(=O)O 1865704417 VHHIKWXZGZEOEB-MRXNPFEDSA-N 458.371 4.006 50 10 JIGE Cc1ccc(-c2ccc(C(=O)NNC(=O)c3ccc(I)cc3)c(C)n2)cc1C 1865756267 PCLDYUQWKQMZLB-UHFFFAOYSA-N 485.325 4.353 50 10 JIGE CCc1c(I)cc(I)cc1CBr 2060221513 USUMHSHDTOIBGE-UHFFFAOYSA-N 450.883 4.353 50 10 JIGE FC(F)(CBr)[C@@H]1CCN(c2ncc(I)cc2Br)C1 2077094351 IVHRYFDILTXDBJ-SSDOTTSWSA-N 495.931 4.305 50 10 JIGE CCOc1cncc(-n2nc(CBr)c(I)c2C(F)(F)F)c1 2078933523 ZEBXCKOPSDMWGC-UHFFFAOYSA-N 476.034 4.184 50 10 JIGE C[C@H]1CN(C(=O)c2ccc(I)c(Cl)c2)CC[C@H]1CBr 2109032146 LPWQHVGHSFYLGN-ONGXEEELSA-N 456.549 4.438 50 10 JIGE CC[C@@H]1CN(S(=O)(=O)c2cc(CBr)sc2C)CCN1Cc1ccccc1 2123231542 FVEVEFBEILHIFX-QGZVFWFLSA-N 457.459 4.237 50 10 JIGE C[C@@]1(CBr)COCCN(Cc2c(Br)cccc2Br)C1 2135088777 BXACGHYGRUZGOI-AWEZNQCLSA-N 456.016 4.445 50 10 JIGE CC1(C)C[C@H](Br)CCN(C(=O)Cc2ccccc2I)C1 2143873194 OUZHHSWTADCNMV-CYBMUJFWSA-N 450.158 4.246 50 10 JIGE CC1(C)CN(C(=O)c2c(Br)cccc2Br)C[C@@H](CBr)O1 2150492065 WRMLDNZJBOPABP-SECBINFHSA-N 469.999 4.226 50 10 JIGE CCn1cc(S(=O)(=O)N(Cc2ccccc2)CC2CCOCC2)cc1CBr 2179786238 XPIPGVGGECDJGG-UHFFFAOYSA-N 455.418 4.020 50 10 JIGE Cc1cc(C)c(S(=O)(=O)N2CCCN(Cc3ccccc3)CC2)cc1CBr 2179860434 RNOSTSXJVWBVFD-UHFFFAOYSA-N 451.430 4.095 50 10 JIGE BrC[C@@]12CN(Cc3ccc(Br)cc3Br)C[C@@H]1CCO2 2231270819 SMYKXQTVRZZNCU-SMDDNHRTSA-N 454.000 4.197 50 10 JIGE CCN(CC)c1ccc(C=NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 2325903231 IDGXEAIOOUPBCR-SJORKVTESA-N 465.623 4.140 50 10 JIGE NNC(=O)c1csc(CSc2cc(I)ccc2Br)c1 2338341466 MLUPTJIYAHILGC-UHFFFAOYSA-N 469.167 4.011 50 10 JIGE CC1(C)[C@@H](CBr)OCCN1Cc1cc(I)ccc1Cl 2352420546 OXAVEXPCVLEFSG-CYBMUJFWSA-N 458.565 4.319 50 10 JIGE C[C@H]1CCC[C@@](CBr)(NC(=O)c2c(Br)c(Br)nn2C)C1 2364017831 MVTOUCRREAMWFT-ISVAXAHUSA-N 472.019 4.019 50 10 JIGE COc1ccc([C@@H]2C(C#N)=C(N)N(c3ccccc3)C3=C2C(=O)CC(C)(C)C3)cc1CN1CCOCC1 715080 RYICGFAWAWZRPV-HHHXNRCGSA-N 498.627 4.468 50 10 JIGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)COc3ccc(Cl)cc3Cl)cc2)c1 12578272 DIMWNCPSRZWLLC-UHFFFAOYSA-N 472.328 4.394 50 10 JIGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)COc2cccc(C)c2C)c(Br)c1 14832362 DGOPXVFDNVAEFY-CQSZACIVSA-N 463.372 4.185 50 10 JIGE O=C(NNc1ncnc(Nc2ccc3c(c2)OCCO3)c1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 40646203 SHDDQCLIYBHCCI-UHFFFAOYSA-N 498.499 4.175 50 10 JIGE Cc1c(C(=O)Nc2cccc([N+](=O)[O-])c2)oc2c1/C(=N/NC(=O)c1ccccc1F)CCC2 40812459 MCRZYWFYRYVXPG-NLRVBDNBSA-N 450.426 4.358 50 10 JIGE CCCc1ccc(OCC(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2OC)cc1 40877738 PYKXHBDDUKFTCU-KGENOOAVSA-N 474.513 4.448 50 10 JIGE Cc1cc(C(=O)NNC(=O)C2(c3ccc(Cl)cc3)CCOCC2)c(C)n1-c1ccccc1 108935006 WBODTYSKJRCZCQ-UHFFFAOYSA-N 451.954 4.257 50 10 JIGE CC(C)[C@H](Br)C(=O)Nc1ccc(I)c(Br)c1 300891929 FMRATVLGDVDTQY-JTQLQIEISA-N 460.935 4.412 50 10 JIGE C[C@@H]1CCN(S(=O)(=O)c2cc(Cl)c(Br)s2)C[C@H]1CBr 703990338 VRWOOSBSUZOPOO-HTQZYQBOSA-N 451.633 4.206 50 10 JIGE O=C(NNc1ccc(F)c(F)c1F)c1cc(S(=O)(=O)N2CCc3ccccc3C2)ccc1Cl 728716807 FUTCXVPDMKDDIX-UHFFFAOYSA-N 495.910 4.261 50 10 JIGE CC1CCN(C(=O)[C@@H](C)OC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)CC1 782092045 BJGFNUTYVKZGIK-WRDGEJPTSA-N 479.968 4.214 50 10 JIGE COCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)Nc2c(C)nn(-c3ccccc3)c2C)c1C 897573018 BBYPAUAUGSCLAK-VQYZLWMVSA-N 489.576 4.031 50 10 JIGE COCCn1c(C)cc(/C=C(/C#N)C(=O)NC[C@H](c2c(F)cccc2Cl)N2CCCC2)c1C 915178502 HRPSUCISURRRCP-QFXXMJIKSA-N 472.992 4.404 50 10 JIGE COc1cc(C=NNC(=O)C(=O)Nc2ccccc2F)ccc1OCc1ccc(Cl)cc1 1084107062 WNPFOYBHNKDFDE-UHFFFAOYSA-N 455.873 4.156 50 10 JIGE O=C(NN=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1cccc(I)c1 1084533010 BTNAHTFFXWVVHY-UHFFFAOYSA-N 461.215 4.223 50 10 JIGE C=CC[C@@]1(C(=O)NNc2ccc(OC)cc2Br)CCCN1C(=O)OC(C)(C)C 1633806729 BOLDWGFCSCDAOE-FQEVSTJZSA-N 454.365 4.247 50 10 JIGE COc1ccc(C=NNC(=O)COc2cc(C)c(Cl)c(C)c2Br)cc1[N+](=O)[O-] 1772756555 SCPGULMATKIVRE-UHFFFAOYSA-N 470.707 4.165 50 10 JIGE COc1c(Cl)ccc(Cl)c1C(=O)NNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1 1858081855 LUOXDHRADULSHJ-UHFFFAOYSA-N 454.310 4.424 50 10 JIGE CCCc1nn(Cc2ccccc2F)c2c1[C@@H](c1cc(OC)c(OC)c(OC)c1)C(C#N)=C(N)O2 1865692160 JPIYSNGYSWBOAS-QFIPXVFZSA-N 478.524 4.267 50 10 JIGE CCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(OC)c(OC)c1)C(C#N)=C(N)O2 1865707775 GBYPEHJKAWWXOT-OAQYLSRUSA-N 450.926 4.383 50 10 JIGE CC[C@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1cncc(Br)c1 1915073609 HQNDAMNXTUIMQV-AWEZNQCLSA-N 462.207 4.209 50 10 JIGE O=C(c1cc(Br)sc1Br)N1C[C@@H]2[C@H](CBr)C[C@H]2C1 2053979930 GGZGATPPSHTRHH-ACLDMZEESA-N 458.013 4.376 50 10 JIGE COc1ccc(-n2nc(CBr)c(I)c2C(F)(F)F)cc1OC 2079258556 KIYJYLRNHJGUPJ-UHFFFAOYSA-N 491.045 4.408 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1C[C@H]2CC[C@@]1(CBr)C2 2089730374 MGFZXMCNZPEAIQ-XPTSAGLGSA-N 454.533 4.334 50 10 JIGE CCN1CC[C@H]([C@H](Br)c2c(Br)cccc2Br)S1(=O)=O 2094099404 VGAZTHMATVHCAL-PWSUYJOCSA-N 476.028 4.072 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H]2C[C@H](C[C@H]2Cl)C1 2107282735 LRZORZZHJDMXAG-UBHAPETDSA-N 454.533 4.143 50 10 JIGE O=C(c1ccc(Br)cc1Br)N1C[C@@H]2C[C@@H](CBr)[C@@H]2C1 2117690518 SPJGQVRJRORNHB-AUTRQRHGSA-N 451.984 4.315 50 10 JIGE Cc1csc(CBr)c1S(=O)(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1 2123232215 NJXOMRONWGKDRE-HNNXBMFYSA-N 457.459 4.094 50 10 JIGE CC[C@]1(CBr)COCCN1Cc1ccc(I)c(Cl)c1 2142950649 SZSKSHMAPKNVGW-AWEZNQCLSA-N 458.565 4.321 50 10 JIGE CCN1CCC[C@@H]([C@@H](Br)c2cc(Br)cc(Br)c2)S1(=O)=O 2145759433 LTLYLSUZAIDKGX-STQMWFEESA-N 490.055 4.462 50 10 JIGE O=S(=O)(c1cc(Cl)c(Br)s1)N1[C@H](CBr)C[C@H]2CCC[C@@H]21 2164660845 BYQUWCUXYHXSSY-WEDXCCLWSA-N 463.644 4.491 50 10 JIGE CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)[C@H](Br)C2CCCC2)C[C@@H]1C(F)(F)F 2167034809 UGOQFLYDAMSOBE-HZSPNIEDSA-N 457.331 4.102 50 10 JIGE O=C(N[C@@H](CBr)[C@@H]1CC=CCC1)c1ccc(F)cc1I 2196154522 FAIIYJWYJNSSHP-YGRLFVJLSA-N 452.105 4.280 50 10 JIGE CC(C)[S@@](=O)(=NCCCCCI)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2214709787 UFCWDYNIVCUBGA-MYYSRTQBSA-N 472.433 4.478 50 10 JIGE COc1cc(C=C(C#N)C(=O)NC[C@@H]2CCCO2)cc(Br)c1OCc1ccccc1 2297551028 XIVIEAFPHLGOLY-IBGZPJMESA-N 471.351 4.239 50 10 JIGE N#CC(=Cc1c[nH]nc1-c1cccc([N+](=O)[O-])c1)c1nc(O)c2cc(Br)ccc2n1 2314486543 DKSUEXOKIDGIRT-UHFFFAOYSA-N 463.251 4.460 50 10 JIGE COC[C@@]1(CBr)C=CCN1Cc1ccc(Cl)c(I)c1 2351717156 FZKRTLRQVTWRMD-AWEZNQCLSA-N 456.549 4.097 50 10 JIGE O=C(c1ccccc1I)N1CC[C@H](Br)C[C@@H]1C(F)(F)F 2361452276 JOHPLSIQCLCEAS-GZMMTYOYSA-N 462.047 4.222 50 10 JIGE COc1ccc(-c2n[nH]c3c2[C@H](c2ccc(OC(=O)c4ccco4)cc2)C(C#N)=C(N)O3)cc1 8567387 IFYMNBIZIJDNCJ-HXUWFJFHSA-N 454.442 4.116 50 10 JIGE Cc1ccc(/C=C/C(=O)NNC(=O)COc2c(C)cc(Br)cc2Br)cc1 13977782 NPTCYCFVVOMGBL-BQYQJAHWSA-N 482.172 4.068 50 10 JIGE C/C(=N\NC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)c1cccs1 33689088 JFGYKGURQAXFKT-PXLXIMEGSA-N 492.420 4.246 50 10 JIGE C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)N/N=C/c4ccc(Br)cc4)c(=O)c23)C1 35582958 GDXPXPDDUANXGF-RNLJWTIUSA-N 473.396 4.057 50 10 JIGE O=C(N/N=C1\C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21)c1ccc([N+](=O)[O-])cc1 59147455 SMEBUXXYSFGJFE-QQTULTPQSA-N 497.280 4.177 50 10 JIGE CC[C@@H](CCBr)CNS(=O)(=O)c1cc(Br)ccc1Br 137098428 DDXKMYMIANXWPP-VIFPVBQESA-N 478.044 4.301 50 10 JIGE CC1(C)C[C@@H](N=C=O)C[C@](C)(CNC(=O)Nc2n[nH]c3c2CCN(Cc2ccccc2)C3)C1 170290924 XNVUFQSXAZBGHI-CLOONOSVSA-N 450.587 4.010 50 10 JIGE CCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)C1=O 214208841 RDQBUSHOJNNJJT-BKUYFWCQSA-N 453.458 4.060 50 10 JIGE O=C1NCCCc2ccc([C@H](Br)c3cccc(I)c3)cc21 228229602 DSRNLNAGOKZRBU-MRXNPFEDSA-N 456.121 4.452 50 10 JIGE FC(F)c1c(CBr)cnc(I)c1I 238553819 FVDZNHKRXHTYEZ-UHFFFAOYSA-N 473.824 4.123 50 10 JIGE C=CCc1cccc(C=NNC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2C)c1O 254304716 NYXXTKQJDAUROH-UHFFFAOYSA-N 484.581 4.371 50 10 JIGE C[C@@H](Br)c1cn(-c2ccc(I)c(Br)c2)nn1 300911995 RYQLIBRSPXSOQS-ZCFIWIBFSA-N 456.907 4.090 50 10 JIGE O=S(=O)(c1ccc(CCl)cc1Br)N1CC[C@@H](COCc2ccccc2)C1 383835757 LAAKYSKSOGDFOW-QGZVFWFLSA-N 458.805 4.415 50 10 JIGE O=C(N[C@@H]1CCC[C@@H](Br)C1)c1cc(I)ccc1Br 694515044 LOSDVHICCOKIRJ-PSASIEDQSA-N 486.973 4.490 50 10 JIGE O=C(N[C@H]1CCC[C@H](Br)C1)c1cc(I)ccc1Br 694515052 LOSDVHICCOKIRJ-WPRPVWTQSA-N 486.973 4.490 50 10 JIGE COc1cc(/C=C(\C#N)c2ncc(C(F)(F)F)cc2Cl)c([N+](=O)[O-])cc1OCC(=O)O 730433947 KMQXJOZXLFQZOP-WTDSWWLTSA-N 457.748 4.198 50 10 JIGE Cc1cc(C=NNC(=O)C(=O)NCCc2ccccc2)c(C)n1-c1cc(Cl)cc(Cl)c1 1084257159 KTKUYPNDXKHUBZ-UHFFFAOYSA-N 457.361 4.210 50 10 JIGE COc1cc(/C=C(\C#N)C(=O)N(C)C)cc(I)c1OCc1ccc(C)cc1 1084409562 VLTUSXTXMWZXPC-RQZCQDPDSA-N 476.314 4.182 50 10 JIGE C#CCOc1ccc(Br)c(C=NNC(=O)c2ccn(Cc3ccc(Cl)cc3)n2)c1 1084468024 IXVHUOQDASGHDR-UHFFFAOYSA-N 471.742 4.123 50 10 JIGE CCOc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CI)cc1OC 1614615485 DGXWUKFVPGDQSC-CABCVRRESA-N 461.340 4.479 50 10 JIGE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NNC(=O)c1ccc(OC(C)C)c(OC)c1 1617984295 DXJNFCKOSMZVRN-UHFFFAOYSA-N 452.429 4.141 50 10 JIGE COc1ccc(C=NNC(=O)COc2c(C)cc(Br)cc2C)cc1Br 1772753569 ZFJCBXBALMIXRA-UHFFFAOYSA-N 470.161 4.366 50 10 JIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccn2)ccc1OC(=O)c1ccccc1 1865704973 JEPZJWJGERNMCN-XMMPIXPASA-N 479.496 4.022 50 10 JIGE O=C(NC[C@@H]1CCC[C@H]1Br)c1ccc(Br)cc1I 2086146621 CCETWCYOLIIOSI-GZMMTYOYSA-N 486.973 4.347 50 10 JIGE C[C@]12CN(C(=O)c3ccc(I)c(Br)c3)C[C@]1(CBr)C2 2109188012 UDHGGCAPTNXUMJ-UONOGXRCSA-N 498.984 4.301 50 10 JIGE CC(C)(CBr)[C@@H]1CCCN1C(=O)c1cccc(F)c1I 2155834089 XSIZWWVNGSXULW-LBPRGKRZSA-N 454.121 4.456 50 10 JIGE CN(Cc1ccccc1)[C@@H]1CCCCN(S(=O)(=O)c2cccc(CBr)c2)C1 2179814968 AURQJHKFOIPARR-HXUWFJFHSA-N 451.430 4.257 50 10 JIGE Cn1ncc([C@H](Br)c2ccc3c(c2Br)CCO3)c1Br 2229745465 CEWQJEJIPCZCGP-GFCCVEGCSA-N 450.956 4.364 50 10 JIGE CC(C)(C)OC(=O)N[C@@H](C[S@](C)(=O)=NCCCCI)C(C)(C)C 2243585685 FICMUMJBWUAQEH-NPMABZOXSA-N 460.422 4.239 50 10 JIGE Cc1cccn2c(=O)c(C=C(C#N)c3nc4ccccc4s3)c(N3C[C@@H](C)O[C@H](C)C3)nc12 2296731223 GETLLNHZFWYCMM-IAGOWNOFSA-N 457.559 4.290 50 10 JIGE COc1cc(Br)cc(C=NNC(=O)C(=Cc2ccccc2)NC(=O)c2ccccc2)c1O 2297325619 WSUJRGVZDWETNM-UHFFFAOYSA-N 494.345 4.085 50 10 JIGE CCc1ccc(C=C2SC(=S)N(CCCC(=O)NNC(=O)c3ccccc3C)C2=O)cc1 2297554558 GVNXWZTVFLOLHA-UHFFFAOYSA-N 467.616 4.000 50 10 JIGE CCOc1cc(C=C2C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)ccc1OCCC(C)C 2314618936 XAPVBXNUKNNMEH-FQEVSTJZSA-N 452.551 4.281 50 10 JIGE CC(C)(C)OC(=O)N1CCC(CI)(OC[C@H]2COC3(C)CC2C3)CC1 2318085719 SGSXFWLTWTYCIR-SWKXRBFHSA-N 465.372 4.023 50 10 JIGE C=CC[C@H](Cl)[C@@H]1CCN1C(=O)c1cc(I)ccc1Br 2335806242 KJQBTOQNELDIFN-STQMWFEESA-N 454.533 4.452 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1CC2(CC(CBr)C2)C1 2340058089 NFCPMFILLBZOIO-UHFFFAOYSA-N 454.533 4.192 50 10 JIGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)COc2ccc(Cl)cc2Br)cc1 13983059 UQGUTUPKNQIBIQ-CYBMUJFWSA-N 469.763 4.221 50 10 JIGE Cc1ccc2cccc(Oc3ncnc(NNC(=O)c4ccccc4Cl)c3[N+](=O)[O-])c2n1 40618657 LNRHLNRZMADNDS-UHFFFAOYSA-N 450.842 4.444 50 10 JIGE CCC[C@@H](Br)CNS(=O)(=O)c1cc(Br)ccc1Br 134638103 XKKLMYVXPZSGRK-SECBINFHSA-N 464.017 4.054 50 10 JIGE CCC(C)(C)C(=O)O[C@@H]1CC(C)=CC2=C[C@H](OO)[C@H](C)[C@H](CC[C@@H]3C[C@H](O)CC(=O)O3)[C@H]21 213624018 GORLEWXBBZEXHV-FONLKRGGSA-N 450.572 4.198 50 10 JIGE CC(C)N(CCBr)C(=O)c1cc(I)ccc1Br 232636295 SEHIHEDDUJWUCL-UHFFFAOYSA-N 474.962 4.299 50 10 JIGE O=C(CNC(=O)c1cccc2ccccc12)NN=Cc1ccc(OC(=O)/C=C/c2ccccc2)cc1 254632591 XPLKVBISINLSMJ-ZKFPERJFSA-N 477.520 4.339 50 10 JIGE Cc1c(Br)cc(CCl)cc1S(=O)(=O)N1CCN(Cc2ccccc2)C[C@@H]1C 382650672 YLTMMPVMEGCKHS-HNNXBMFYSA-N 471.848 4.391 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1C2CCC1(CBr)CC2 722992208 NZEULEYXKNQGDX-UHFFFAOYSA-N 454.533 4.477 50 10 JIGE Cc1nn(-c2ccccc2)c(Cl)c1C=NNC(=O)Cn1c(C(F)(F)F)nc2ccccc21 1084334352 KRWSOFXPUCKZNN-UHFFFAOYSA-N 460.847 4.353 50 10 JIGE O=C(Cc1c[nH]c2ccccc12)NNC(=O)c1c[nH]c2cc(Br)c(Br)cc12 1087427541 QVVUUBIFTFSSKB-UHFFFAOYSA-N 490.155 4.178 50 10 JIGE C#CCN1CCC(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)CC1 1596609738 FLCWDGXSSNLCON-ZHZULCJRSA-N 454.496 4.234 50 10 JIGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2cccc(-c3ccc(F)c(F)c3)c2)cc1 1661860606 UOGPBSBNNLKNQK-OAHLLOKOSA-N 453.445 4.455 50 10 JIGE Cc1ccc(-c2csc3ncn(CC(=O)N/N=C/c4ccccc4Br)c(=O)c23)cc1 1860772931 LJUDRMCKLYVTOJ-KIBLKLHPSA-N 481.375 4.346 50 10 JIGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(C)cc2)c1O 1865684046 LSPLWPKJZPXDNR-KRWDZBQOSA-N 456.424 4.191 50 10 JIGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CCc2ccccc2F)cc1 1866595899 QDHIMTPIXLPCAC-HSZRJFAPSA-N 463.534 4.403 50 10 JIGE CN(Cc1nccn1Cc1ccccc1)S(=O)(=O)c1ccc(CCl)c(Br)c1 1915039139 FTWXVXJCFJFPGX-UHFFFAOYSA-N 468.804 4.253 50 10 JIGE O=C(c1cccc(F)c1I)N1CC[C@]2(CCC[C@@H]2Br)C1 1918932652 BOJRZCOMOZAKRS-SWLSCSKDSA-N 452.105 4.210 50 10 JIGE O=C(NC[C@H]1CC12CCC(Br)CC2)c1csc(I)c1 2101289317 SHWWAAKYOWHJAS-CDWSIMAYSA-N 454.171 4.426 50 10 JIGE Br[C@H](c1ccc2c(c1)OCCCO2)c1cc(I)sn1 2120029998 AUUAIWAKIMLQDI-CYBMUJFWSA-N 452.111 4.393 50 10 JIGE O=S(=O)(c1ccsc1CBr)N1[C@H]2CCC[C@H]1CN(Cc1ccccc1)C2 2125908212 AMUHIDXQECNALD-IRXDYDNUSA-N 455.443 4.071 50 10 JIGE O=C(N[C@@H](CBr)C[C@H]1CCOC1)c1cc(Br)cc(Br)c1 2195480199 WTEXPMRJQXKSMD-NOZJJQNGSA-N 469.999 4.132 50 10 JIGE O=C(N[C@H](CBr)C[C@H]1CCOC1)c1cccc(Br)c1Br 2195492787 MMDASHFPGNBPAW-ZJUUUORDSA-N 469.999 4.132 50 10 JIGE O=C(c1ccc(Br)cc1I)N1[C@H]2CC[C@H]1[C@H](F)[C@H](Cl)C2 2207264525 GKAOWMSBONFVRO-YPWHJJHSSA-N 472.523 4.376 50 10 JIGE CC(C)(C)OC(=O)NCCN(CCCCCCBr)CCNC(=O)OC(C)(C)C 2210044239 ZJZPKWLAEUSEFO-UHFFFAOYSA-N 466.461 4.293 50 10 JIGE CC1(C)OCCN(Cc2cc(Cl)ccc2I)[C@H]1CBr 2267679941 OMHJPRMIQJQWPK-ZDUSSCGKSA-N 458.565 4.319 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@@H]2CC[C@H](Br)[C@H]2C1 2295307914 QPBGGIDCMDPBFK-BPNCWPANSA-N 466.011 4.386 50 10 JIGE O=C(N[C@@H](CCBr)C(F)(F)F)c1ccc(Cl)cc1I 2340062600 BIKYPJKYOQHEOF-VIFPVBQESA-N 470.454 4.390 50 10 JIGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCCC[C@@H]1CCCCl 2364192075 YPBDIUFNDZJNHQ-GOSISDBHSA-N 455.020 4.046 50 10 JIGE CC[C@@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2OCc2ccccc2)cc1 10296159 CPCMVWREFJVKND-GOSISDBHSA-N 477.586 4.392 50 10 JIGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)COc1ccc(C(C)(C)C)cc1 13976422 WISNHVVJTBOANB-ZDUSSCGKSA-N 498.432 4.159 50 10 JIGE O=C(CCCC(=O)OCCCc1ccccc1)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 14016896 NGQGGXKIOVHURD-UHFFFAOYSA-N 493.604 4.313 50 10 JIGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNC(=O)c1ccccn1)c1nc3cc(Cl)c(Cl)cc3nc12 33366406 NFZJWUJATBZECS-PKTZIBPZSA-N 470.360 4.122 50 10 JIGE O=C(CSc1ccc(/C=N/NC(=O)c2ccccc2)cc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 59498927 YTRJVWIPRBSKFJ-YDZHTSKRSA-N 464.459 4.242 50 10 JIGE COc1cc(/C=C2/C(=O)N(c3cccc(C)c3)C(=O)N=C2O)ccc1OCCBr 83318703 JABKQTKKAFVHDB-LFIBNONCSA-N 459.296 4.284 50 10 JIGE Cc1cccc(Cn2cccc(C(=O)NNC(=O)CCCOc3ccc(Cl)cc3Cl)c2=O)c1 109107837 QYPHIIXQSNFRNY-UHFFFAOYSA-N 488.371 4.132 50 10 JIGE C[C@@H](Br)C[C@@H](C)NC(=O)c1cc(I)ccc1Br 235182842 SUUSFJKWEGSNRY-HTQZYQBOSA-N 474.962 4.346 50 10 JIGE COc1ccccc1[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CI 382709890 XBJBFABHDHMKAI-WMZOPIPTSA-N 451.304 4.482 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N[C@H](CBr)CC(F)F)cc1Br 717748152 DKKZHXYAGNVGOC-ZETCQYMHSA-N 499.997 4.217 50 10 JIGE CN(CC1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(CBr)cc1 720027338 VWCPRKCNKLTQFQ-UHFFFAOYSA-N 451.430 4.114 50 10 JIGE CCOc1cc(C=NNC(=O)c2ccc(OCc3cccc4ccccc34)cc2)ccc1OCC(N)=O 1084105254 RZVCHYOJPBUFAY-UHFFFAOYSA-N 497.551 4.446 50 10 JIGE CCOc1cc(/C=C(\C#N)C(=O)N(C)C)cc(Br)c1OCc1ccc2c(c1)OCO2 1084192497 JQHDCMCHFOVYHR-FRKPEAEDSA-N 473.323 4.151 50 10 JIGE Cc1ccc(N(CC(=O)NN=Cc2c(F)cccc2Cl)S(=O)(=O)c2ccccc2)c(C)c1 1084624013 KRSIMJAVJXLKTM-UHFFFAOYSA-N 473.957 4.442 50 10 JIGE CCSS(=O)(=O)c1ccc(N2C(=O)CS/C2=N/C(=O)c2cc3ccccc3o2)cc1 1614732607 KOBCKQZMEWRDEK-QZQOTICOSA-N 460.558 4.151 50 10 JIGE C=C(C)[C@H]1OCC[C@H]1CNC(=O)NNC(=O)c1ccc(COc2ccc(Cl)c(C)c2)cc1 1686315033 DCDJOLIPADRQLV-SIKLNZKXSA-N 457.958 4.153 50 10 JIGE Cc1ccc(CNC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2ccc([N+](=O)[O-])cc2)CCC3)cc1 1772747606 RDKSCTWEVPHUGU-UHFFFAOYSA-N 474.517 4.134 50 10 JIGE FC1(F)C[C@@H](CBr)N(c2ncc(I)cc2Br)C1 2015764848 FVSNKJFXKBLEKG-ZETCQYMHSA-N 481.904 4.058 50 10 JIGE O=C(c1cc(Br)cc(Br)c1)N1C[C@@H](CBr)C2(CC2)C1 2087791081 XSHQVLZQFHVRBN-SNVBAGLBSA-N 451.984 4.459 50 10 JIGE C[C@]1(CBr)COCCN(Cc2cccc(Br)c2Br)C1 2135090150 NBCUTUCWKWPWCL-CQSZACIVSA-N 456.016 4.445 50 10 JIGE O=C(c1ccc(F)cc1I)N1CC[C@@H]2C[C@H](Br)CC[C@H]21 2143971263 FYPCURCBGVXYBD-GPCCPHFNSA-N 452.105 4.208 50 10 JIGE CCc1nn(-c2nc3sccn3c2CBr)c(CC)c1I 2150310249 DNKFQYLXRBZSEV-UHFFFAOYSA-N 465.158 4.206 50 10 JIGE CC1(C)[C@@H](Br)CC[C@@H]1NS(=O)(=O)c1cc(Br)ccc1Br 2207103892 XNMJJPXDXGSCRD-RYUDHWBXSA-N 490.055 4.442 50 10 JIGE CCOc1ccc([C@H](Br)c2nn(C)nc2Br)cc1Br 2226986012 GFKCUFKGKKZZOC-JTQLQIEISA-N 453.960 4.223 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@H]2C[C@@H](Br)[C@H]1C2 2277917993 LFLIVJVYLJOJQJ-ZWKOPEQDSA-N 451.984 4.138 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)NCC[C@H](Br)C1CC1 2277932243 YQUYUJLSOIUBKB-ZDUSSCGKSA-N 454.000 4.434 50 10 JIGE CS(=O)(=O)C1([C@@H](Br)c2sc(Cl)cc2I)CCC1 2300953650 MMLYCQRBIMTJBL-VIFPVBQESA-N 469.591 4.409 50 10 JIGE CC(C)(CI)CN1CC[C@H](C(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)C1 2306819485 VDMHVZBCMBRTMN-RYUDHWBXSA-N 464.310 4.225 50 10 JIGE CCOc1cc(C=NNC(=O)c2ccc(NC(C)=O)cc2)ccc1OC(=O)C=Cc1ccccc1 2313530127 JCXIYZGOVWFODB-UHFFFAOYSA-N 471.513 4.426 50 10 JIGE O=C(CNc1cccc(N2CCCC2=O)c1)NN=C(C=Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 2313532928 JWVRGRGEHMOALR-UHFFFAOYSA-N 483.528 4.367 50 10 JIGE CCCCOC(=O)c1ccccc1NC(=O)C(C#N)=CNC1CCN(Cc2ccccc2)CC1 2325311256 PNDUGXZGFXYEGT-UHFFFAOYSA-N 460.578 4.244 50 10 JIGE Cc1cc(I)ccc1NC(=O)C(C#N)=CNCc1ccccc1Br 2325412203 WEJWUMOJOXKYAV-UHFFFAOYSA-N 496.146 4.498 50 10 JIGE O=C(N[C@@H]1C[C@H](CBr)C12CCC2)c1cc(I)ccc1F 2379697109 PQKJMHUWISZWHL-NOZJJQNGSA-N 452.105 4.114 50 10 JIGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1ccccc1OCCC(C)C 14034366 ARDRQXLDGNJXMA-SFHVURJKSA-N 471.623 4.340 50 10 JIGE CCCCOc1ccc(C(=O)NNC(=O)CCC(=O)Nc2cc(C)ccc2C)cc1Br 14041264 HXRBJKIZAQOWBY-UHFFFAOYSA-N 490.398 4.425 50 10 JIGE CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)NCc2ccco2)cc1 33658900 SSHGNPKAIXQWCB-RGEXLXHISA-N 454.486 4.174 50 10 JIGE CCN1C(=O)/C(=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c2cc(OC)ccc21 38180289 PVBGOUHZLRKTCC-XLVZBRSZSA-N 450.498 4.411 50 10 JIGE C[C@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc([N+](=O)[O-])c1 38653913 PQQSSFXLIMDTCR-LFVRLGFBSA-N 475.432 4.325 50 10 JIGE O=C(NNc1ncnc(Nc2ccc(F)c(Cl)c2)c1[N+](=O)[O-])c1ccc(Cl)c([N+](=O)[O-])c1 40658662 WXIOANLOTGUJND-UHFFFAOYSA-N 482.215 4.239 50 10 JIGE COc1ccc(/C=N/NC(=O)COc2cc(C)c(Cl)c(C)c2Br)cc1OC 40950740 MXYPVRLZAOIMTI-LSFURLLWSA-N 455.736 4.266 50 10 JIGE CC(/C=C/c1ccccc1)=N/NC(=O)CCCSc1nnc(-c2ccccc2Br)n1N 58991428 INVFMMGJOUAMEA-IFYOAUBMSA-N 499.438 4.499 50 10 JIGE CCOC(=O)c1nn(-c2ccccc2)c2c1CN(C(=O)NC[C@]1(C)C[C@@H](N=C=O)CC(C)(C)C1)CC2 170290583 ZEOHLCWNHKOGIF-UZTOHYMASA-N 493.608 4.038 50 10 JIGE N#C/C(=C/N1CCN(c2ccccc2)CC1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216506302 UYZDOZQPSZWXHY-FVDSYPCUSA-N 491.639 4.150 50 10 JIGE CCCOO[C@@H]1[C@H](Sc2ccc(C)cc2)O[C@H](C(=O)OC)[C@H](OOCCC)[C@@H]1OOCCC 261508191 QIJWYGJWRKDWCZ-KPUUQYQLSA-N 488.599 4.165 50 10 JIGE COC(=O)[C@H](Br)C1(Oc2c(Br)cccc2Br)CCC1 382380029 RBBWFILHYXFIKU-NSHDSACASA-N 456.956 4.450 50 10 JIGE C[C@H]1CN(C(=O)c2ccc(I)c(Br)c2)CC[C@@H]1Br 721606970 BPTDABPOSKORCD-WPRPVWTQSA-N 486.973 4.299 50 10 JIGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)cc1 1083989778 NGPUHZWRJKJMGM-XMMPIXPASA-N 464.522 4.365 50 10 JIGE COc1ccc(CSCC(=O)NN=C(C)c2ccc(I)cc2)cc1 1084137308 VBXGNYIYWOIYNN-UHFFFAOYSA-N 454.333 4.073 50 10 JIGE O=C(CSc1nc2ccccc2[nH]1)NN=Cc1ccc(OCc2ccccc2)c([N+](=O)[O-])c1 1084264589 FDZICDIEVBFWFS-UHFFFAOYSA-N 461.503 4.293 50 10 JIGE O=C(CCc1nc2cc(C(F)(F)F)ccc2s1)NNC(=O)c1ccc(Br)cc1 1318342864 MPJDSIXYYNMEBL-UHFFFAOYSA-N 472.286 4.471 50 10 JIGE CCN(CC)c1ccc(/C=N/NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 1860773868 IDGXEAIOOUPBCR-BTOUPHNISA-N 465.623 4.140 50 10 JIGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1cc(OC)c(OC)cc1OC)C(C#N)=C(N)O2 1865710541 BJHXIMVPRYJSDV-QHCPKHFHSA-N 478.524 4.267 50 10 JIGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(O)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865714371 IOQOCIWILQUOST-SFHVURJKSA-N 482.294 4.029 50 10 JIGE CN(C[C@H](Br)COCc1ccccc1)S(=O)(=O)c1ccccc1Br 1916361549 MPTCSVRIQSMLOF-HNNXBMFYSA-N 477.218 4.050 50 10 JIGE CN1CCC[C@@H]([C@H](Br)c2cc(Br)sc2Br)S1(=O)=O 2029051039 CWHPFJWMJSDZHQ-IONNQARKSA-N 482.057 4.133 50 10 JIGE O=C(NCC1(F)CC(CBr)C1)c1cc(Br)cc(Br)c1 2112253845 LLKVFBLMZXEOGJ-UHFFFAOYSA-N 457.963 4.455 50 10 JIGE CN(C)CCCN(Cc1ccccc1)S(=O)(=O)c1ccc(CBr)cc1Cl 2123211596 XERACLXJZPWVPF-UHFFFAOYSA-N 459.837 4.378 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CC[C@H](Cl)[C@@H]1C1CC1 2142279962 XGJOZAUGJNJWJT-AAEUAGOBSA-N 454.533 4.286 50 10 JIGE Cc1ccc(C(CBr)(CBr)Cc2c(Br)nnn2C)cc1 2145947485 NCDZVMFFYYDNDA-UHFFFAOYSA-N 466.015 4.156 50 10 JIGE Cc1sc(C)c(S(=O)(=O)N[C@H]([C@H](C)Br)C(F)(F)F)c1Br 2195324032 UXYKDFCEPDLCQQ-AJAUBTJJSA-N 459.147 4.120 50 10 JIGE Cc1cc(Br)c(NC(=O)CN(C)C[C@@H]2C[C@@H]2Br)c(Br)c1 2196932559 ZPIGTJGZIIFHKK-UWVGGRQHSA-N 469.015 4.174 50 10 JIGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1COCCO1 2259999287 NXYNJPXTIQRANC-VXNVDRBHSA-N 450.899 4.341 50 10 JIGE C[C@@]1(CBr)CCN(C(=O)Cc2cc(Br)cc(Br)c2)C1 2277936592 NTSCFTSNNDBRNC-AWEZNQCLSA-N 454.000 4.388 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC[C@@H]2C[C@@]23CC3(F)F)C1 2307350560 JVVKBPSODFPXQB-APHBMKBZSA-N 457.299 4.253 50 10 JIGE C=CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)C(C)=C(C#N)C1=O 2314617388 XILRCDGHNLNJFO-UHFFFAOYSA-N 450.498 4.326 50 10 JIGE COc1cc(C=NNC(=O)c2ccc(-c3ccc(F)cc3)nc2C)cc(Br)c1O 2321244581 DVASRUUWNNFNOS-UHFFFAOYSA-N 458.287 4.437 50 10 JIGE COc1cc(CBr)cc(Cl)c1OCc1ncc(I)cn1 2381296841 VXVOERHNHMUXLG-UHFFFAOYSA-N 469.504 4.217 50 10 JIGE Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=O)c2cc(Br)ccc2OCC(C)C)c1 14666951 WVEJVPXSUNDURO-UHFFFAOYSA-N 490.398 4.281 50 10 JIGE Cc1ccc(-c2nn(Cc3ccccc3)cc2/C=C/C(=O)NNC(=O)COc2ccc(C#N)cc2)cc1 15706044 VJKAGOWMRUPEQO-DTQAZKPQSA-N 491.551 4.018 50 10 JIGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)cc1 58894367 JFFPVMRADNHBBN-GJVLPJBHSA-N 494.548 4.374 50 10 JIGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCC#N)c(OCC)c2)cc1 58894931 PEDWRFUSDWHZIY-RWTUPJDWSA-N 459.930 4.004 50 10 JIGE COc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2)c(OC)c1 206693705 AEECEUBQCCIGJE-ITZXJQBVSA-N 458.470 4.139 50 10 JIGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)CNC(=O)c2cccc(C)c2)cc1 254306086 BOTPMTFJHVKYHW-UHFFFAOYSA-N 495.535 4.256 50 10 JIGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccccc3C)cc2OC)cc1 254387114 OGGNUKSMZHXMRZ-UHFFFAOYSA-N 462.502 4.151 50 10 JIGE Cc1cccc(N2C(=O)CSC2=NNC(=O)c2ccccc2NC(=O)c2ccccc2)c1C 254448124 LIJGTZRVFAATRG-UHFFFAOYSA-N 458.543 4.337 50 10 JIGE Cc1ccc(N)c([C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)c1 382700567 CGMDFWAOIXSQKH-FUHWJXTLSA-N 450.320 4.364 50 10 JIGE BrCC(CBr)(C[C@H]1COCCO1)c1ccc(Br)cc1 690875987 GHXCZIXVNZYQEB-ZDUSSCGKSA-N 457.000 4.282 50 10 JIGE N#CCCn1cc(/C=C(/C#N)C(=O)NCCc2cn3ccccc3n2)c(-c2ccc(Cl)cc2)n1 912575491 HDIIWMAAHJVRLX-RGEXLXHISA-N 469.936 4.031 50 10 JIGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc(I)c1OCC 1084533769 FENDPNVGUQWTLD-YVLHZVERSA-N 476.314 4.312 50 10 JIGE COc1cc(OC)cc(C(=O)N2CCC(C(=O)NN=Cc3c(Cl)cccc3Cl)CC2)c1 1084597132 GFKWWIGMXXFRJW-UHFFFAOYSA-N 464.349 4.013 50 10 JIGE CCCCCN1C(=O)C(=NNC(=O)COc2ccccc2Br)c2cc(C)ccc21 1772720624 QEEDKPVVXLEXST-UHFFFAOYSA-N 458.356 4.194 50 10 JIGE CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865697031 UWEDHOADBQMNSQ-LJQANCHMSA-N 451.324 4.429 50 10 JIGE COc1ccc(-c2nn(CC(C)C)c3c2[C@H](c2ccc4c(c2)OCCO4)C(C#N)=C(N)O3)cc1 1865698410 SOTBSLBAWIKNCU-JOCHJYFZSA-N 458.518 4.204 50 10 JIGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1cccc([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865706445 WWPSUPXIIRYNPZ-LJQANCHMSA-N 453.861 4.413 50 10 JIGE Clc1ccc(I)c(CN2C[C@@H](Br)C[C@@]3(CCCO3)C2)c1 1924311255 WOGNRCDWUIVXTI-WFASDCNBSA-N 470.576 4.463 50 10 JIGE O=C(NCCNC(=O)N1CCC(Br)CC1)OCC1c2ccccc2-c2ccccc21 1954825310 OLKDUUDQBCCEOM-UHFFFAOYSA-N 472.383 4.094 50 10 JIGE CC(C)[C@H](CCl)N(Cc1ccccc1)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 1978675958 HOTYDVJJYBOOSU-XUZZJYLKSA-N 495.016 4.106 50 10 JIGE C[C@H]1CCN(c2ncc(I)cc2Br)C[C@@H]1CBr 2015763430 YINYAFXTHRJPMF-IUCAKERBSA-N 473.978 4.306 50 10 JIGE CCN1CC[C@H]([C@H](Br)c2cc(Br)sc2Br)S1(=O)=O 2029062421 RGYOGRAXHJEYLO-VXNVDRBHSA-N 482.057 4.133 50 10 JIGE CCOC(=O)Cc1c(I)cc(OC(F)(F)F)cc1CBr 2055278685 VWBHSERTBDDWIT-UHFFFAOYSA-N 467.019 4.190 50 10 JIGE CCOc1cc(I)c(I)cc1CBr 2060220713 BPEQEDJOJISGRB-UHFFFAOYSA-N 466.882 4.189 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2CC[C@@H]2[C@@H](C)Br)cc1Br 2125818128 MSCZSPSUTRCJCT-LDYMZIIASA-N 476.028 4.066 50 10 JIGE ClCCc1nc2cc(Br)cnc2n1C[C@@H]1CC1(Br)Br 2224806667 QZQLCJRGFBVMEZ-ZETCQYMHSA-N 472.406 4.481 50 10 JIGE CC(C)(C)OC(=O)NC[C@H]1CC[S@@](=O)(=NCC2(CBr)CC(F)C2)C1(C)C 2265631306 BOKBUACBIPLLFM-NPJTUMHRSA-N 455.434 4.291 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1C[C@H](Br)CC2(CC2)C1 2268350358 INIORCPMJKHDFF-SNVBAGLBSA-N 454.533 4.334 50 10 JIGE CCOC(=O)C(C#N)=Cc1cc([N+](=O)[O-])ccc1OCCOc1ccc(Br)cc1 2294346957 CASGBURUWOURJP-UHFFFAOYSA-N 461.268 4.285 50 10 JIGE Cc1ccc(S(=O)(=O)C(C#N)=Cc2c(Oc3ccccc3F)nc3ccccn3c2=O)cc1 2296718548 UVEDXWOLBZWYMR-UHFFFAOYSA-N 461.474 4.273 50 10 JIGE COCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)C(C)=C(C#N)C1=O 2314617940 DJRDSCVZIJGFGG-UHFFFAOYSA-N 497.511 4.076 50 10 JIGE Cc1ccc(C)c(C(=O)C=C2SC(=Nc3ccccc3C(=O)CBr)NC2=O)c1 2323628546 YRUVXXLKHBZNCR-UHFFFAOYSA-N 457.349 4.498 50 10 JIGE N#CC(=CNCc1cccc(F)c1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324609795 KBZOJABICDDMNK-UHFFFAOYSA-N 454.549 4.257 50 10 JIGE CN(C[C@@H]1CCC1(F)F)S(=O)(=O)c1cc(CBr)sc1Br 2360451032 BCTFLENGAINWJK-ZETCQYMHSA-N 453.168 4.071 50 10 JIGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N(CCCl)C1CCCCC1 2364218543 ZAAOHXDRQUBQCN-UHFFFAOYSA-N 455.020 4.046 50 10 JIGE COc1ccc(C(=O)NC(=S)NNC(=O)c2sc3ccccc3c2Cl)cc1Br 12570411 OVICVJUGVDFEDK-UHFFFAOYSA-N 498.811 4.275 50 10 JIGE COc1ccc(/C=N/NC(=O)CSc2nc(=O)c3c(-c4ccccc4)c(C)sc3[nH]2)cc1OC 19646000 DREPACSFIYFOOK-BRJLIKDPSA-N 494.598 4.220 50 10 JIGE Cc1ccc(N2C(=O)/C(=C/NNC(=O)c3cc4c(s3)CCCC4)c3ccccc3C2=O)cc1 38183849 GQMSOAROEHHITN-RCCKNPSSSA-N 457.555 4.398 50 10 JIGE O=C(NNc1ncnc(Nc2ccc(Br)cc2F)c1[N+](=O)[O-])c1ccccc1Cl 40658294 DWJHDOYFFHVEPM-UHFFFAOYSA-N 481.669 4.440 50 10 JIGE COc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4ccc5c(c4)OCCO5)c(C)c32)c1 40822486 YFMQGUHXYVEMHP-TURZUDJPSA-N 475.501 4.091 50 10 JIGE COc1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1cncc(Br)c1)CCC2 40823078 YURBGZBUAPWQIN-WPWMEQJKSA-N 497.349 4.477 50 10 JIGE CCCc1nn2c(=O)cc(COc3ccc(/C=C(/C#N)C(=O)Nc4ccc(F)cc4)cc3)nc2s1 96484406 FZXVBFIFDFOEHK-ATVHPVEESA-N 489.532 4.367 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CCC[C@@H](Br)CC1 378713132 VTQBYKGGYDZGIO-SECBINFHSA-N 486.973 4.443 50 10 JIGE CN(C[C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(CCl)cc1Br 383190276 WHFYEMBUQAQALB-SFHVURJKSA-N 471.848 4.331 50 10 JIGE CC[C@@H]1CN(C(=O)c2ccc(I)c(Br)c2)C[C@H]1Br 721615015 QODYKEVJWKVQTA-LDYMZIIASA-N 486.973 4.299 50 10 JIGE O=C(NN=C1C(=O)N(C/C=C\c2ccccc2)c2ccccc21)c1cc(Br)ccc1O 1084079230 RCVLSXUIRAJEDD-SHXORBHXSA-N 476.330 4.349 50 10 JIGE CC(=NNC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1)c1ccc(F)cc1 1084238639 BPXWLZFFBILDEE-UHFFFAOYSA-N 457.502 4.009 50 10 JIGE COc1cc(/C=C(\C#N)C(=O)N(C)C)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 1084358968 ZLNSYVMQAAJANS-WUXMJOGZSA-N 491.254 4.062 50 10 JIGE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(Cl)c([N+](=O)[O-])c1 1865706216 QLGXMYWQDMUTOR-GOSISDBHSA-N 451.870 4.358 50 10 JIGE BrCCN(Cc1ccc(I)c(Br)c1)C1CC1 1904347153 ZTUDGZIRMLTFOP-UHFFFAOYSA-N 458.963 4.413 50 10 JIGE O=C(N[C@H](CBr)C[C@@H]1CCCO1)c1cc(Cl)ccc1I 1926731744 HNPLAAJCEZRWJE-QWRGUYRKSA-N 472.548 4.007 50 10 JIGE CC(C)[C@@H](Br)CNC(=O)c1ccc(Br)cc1I 2026216543 GEEGETJGIDVJCX-JTQLQIEISA-N 474.962 4.203 50 10 JIGE Cc1nc(I)c(I)n1-c1ccc(CCl)cc1C#N 2028590271 HZPJNQFPNPDJOR-UHFFFAOYSA-N 483.478 4.000 50 10 JIGE CCN(C[C@](C)(CI)OCCN1CCCCCC1)C(=O)OC(C)(C)C 2055654643 KXTADMXKNFVPMV-IBGZPJMESA-N 468.420 4.330 50 10 JIGE CN(Cc1cnn(C)c1Br)c1ccc(CBr)cc1Br 2116624262 HHVMEDMEUZPAAN-UHFFFAOYSA-N 451.988 4.476 50 10 JIGE BrC[C@H]1CN(Cc2cc(Br)ccc2Br)C2(CC2)CO1 2127556045 RQJQLUIJQGCFKX-LBPRGKRZSA-N 454.000 4.340 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1CC[C@@H](Br)[C@@H]1C1CC1 2130609839 CAZKFCUUWTXRHU-MFKMUULPSA-N 454.533 4.333 50 10 JIGE O=S(=O)(c1ccc(CCl)c(Br)c1)N1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2144831867 YXBMOLGVOAVNGT-HDICACEKSA-N 469.832 4.225 50 10 JIGE CN(C)CCCN(Cc1ccccc1)S(=O)(=O)c1cc(Br)cc(CCl)c1F 2152203624 QJVCVBGBPDHOTM-UHFFFAOYSA-N 477.827 4.470 50 10 JIGE C[C@H]1CN(Cc2ccccc2)[C@H](C)CN1S(=O)(=O)c1ccc(F)c(CBr)c1 2179785382 LJNUNCINADHGHV-CVEARBPZSA-N 455.393 4.004 50 10 JIGE CN(Cc1ccccc1)[C@@H]1CCN(S(=O)(=O)c2cc(F)c(Cl)c(CBr)c2)C1 2179861434 HJLXQVCUTUMASK-MRXNPFEDSA-N 475.811 4.269 50 10 JIGE CC1(C)C[C@@](C)(CBr)CN1C(=O)c1ccc(I)c(O)c1 2199543029 XNNCERHXMQXQRP-HNNXBMFYSA-N 452.130 4.023 50 10 JIGE COCCn1c(C)cc(C=C(C#N)C(=O)OCC(=O)Nc2c(Cl)ccc(C)c2Cl)c1C 2297335827 NLQZCTDZSRWPAU-UHFFFAOYSA-N 464.349 4.455 50 10 JIGE CCOc1cc(C=NNC(=O)[C@H](C)NC(=O)OC(C)(C)C)ccc1OCc1ccccc1F 2328818672 HCTDIKYOOAFQMD-INIZCTEOSA-N 459.518 4.167 50 10 JIGE O=C(c1cc(Br)ccc1Br)N1C[C@H]2C[C@H](CBr)[C@H]2C1 2330496748 WOJXYWPDROFSPU-KBVBSXBZSA-N 451.984 4.315 50 10 JIGE C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2349645463 JVINTFMISPBCEH-RTBURBONSA-N 497.727 4.094 50 10 JIGE O=S(=O)(N[C@H]1C[C@@H]2C[C@H]1C[C@H]2Br)c1cc(Br)ccc1Br 2355712604 GPVPYQCBDULWQJ-MMSPYSMKSA-N 488.039 4.052 50 10 JIGE O=C(NCC(F)(F)C(F)(F)CI)c1c(F)cccc1Br 2361680017 SMBUMQIIDIBEJA-UHFFFAOYSA-N 471.989 4.024 50 10 JIGE Cn1nc(Br)c(Br)c1C(=O)NC1(CBr)CCCCCC1 2364226661 OSPXECHHPBGOEK-UHFFFAOYSA-N 472.019 4.163 50 10 JIGE CC[C@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(OCCC(C)C)cc2)cc1 10296087 GFDOHUHHKGZBJT-KRWDZBQOSA-N 457.596 4.238 50 10 JIGE Cc1cc(-c2ccc(/C=N\NC(=O)[C@H](NC(=O)Cc3cccs3)C(C)C)o2)cc([N+](=O)[O-])c1C 33766845 XJEPPRIDKFZJQA-VOSQNHLFSA-N 482.562 4.367 50 10 JIGE O=C(NNc1ncnc(Oc2ccc(Br)cc2)c1[N+](=O)[O-])c1ccccc1Cl 40658342 ULPWMRRNVCOGHA-UHFFFAOYSA-N 464.663 4.350 50 10 JIGE C=CCc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(Br)c1OCC(=O)OC 59680319 IRVVLXAGMNNVHR-WYMPLXKRSA-N 471.307 4.240 50 10 JIGE O=C(COc1ccc(Br)cc1)NN=Cc1ccc(OC(=O)c2ccccc2)cc1 245267443 LUKBSXRMQSUPMJ-UHFFFAOYSA-N 453.292 4.197 50 10 JIGE COc1cc(Br)cc(Br)c1OCC(=O)NN=C(C)c1cccs1 254396778 FOUVMZMLFLVROH-UHFFFAOYSA-N 462.163 4.201 50 10 JIGE COc1c(C(=O)N=NC(=O)CCl)nn(-c2cccc(Cl)c2)c1NNc1ccc(N(C)C)cc1 256013427 YJMPSGXKPBCEOJ-UHFFFAOYSA-N 490.351 4.397 50 10 JIGE C[C@@H](Br)CN(C(=O)c1ccc(I)c(Br)c1)C1CC1 721622419 RPGFUPULEFQALV-MRVPVSSYSA-N 486.973 4.442 50 10 JIGE CC(=O)N1CCCc2cc(NC(=O)/C(C#N)=C\c3cn(CCC#N)nc3-c3ccccc3)ccc21 749228410 BRIUTONTNQCWCH-JCMHNJIXSA-N 464.529 4.309 50 10 JIGE NNC(=O)/C=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1 1081475910 NUCKXPBJDIJLGH-KXFIGUGUSA-N 463.102 4.180 50 10 JIGE CSc1ccc(C=NNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1 1084196967 LTNHBVGXAYTCLF-UHFFFAOYSA-N 453.589 4.063 50 10 JIGE COc1cccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)c1OC 1614809453 GIXGVAOCVGOGHU-AEFFLSMTSA-N 481.330 4.491 50 10 JIGE COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)o1 1615169270 OQNXIOKWIAUSBP-HCBMXOAHSA-N 457.258 4.146 50 10 JIGE O=C(Nc1ncccc1OCC(=O)N1CCCc2ccccc21)Oc1ccc([N+](=O)[O-])cc1F 1858682417 RDHUTTXAJBSRND-UHFFFAOYSA-N 466.425 4.098 50 10 JIGE COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC(C)C)cc1OC 1865711749 HIDAJCDQPCVQAZ-QFIPXVFZSA-N 460.534 4.450 50 10 JIGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)c2cc(-c3cccnc3)[nH]n2)cc1 1867157482 YDLMEAOWFNWGAX-JOCHJYFZSA-N 486.532 4.164 50 10 JIGE CC(C)(C)OC(=O)N[C@H](CBr)[C@H]1CN(C(=O)OC(C)(C)C)[C@]2(CCCOC2)C1 1885098208 XAZZWJALRQPJQU-STXHMFSFSA-N 463.413 4.081 50 10 JIGE CN(CC1(CBr)CC1)S(=O)(=O)c1cc(Br)ccc1Br 1915547970 YKAIPLFUORAIQJ-UHFFFAOYSA-N 476.028 4.007 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@@H](Br)CC2(CC2)C1 1926402530 CQLYJYBSZUETDH-JTQLQIEISA-N 488.039 4.150 50 10 JIGE C[C@H](NC(=O)c1ccc(Br)cc1I)[C@@H](C)CBr 2026219557 XDZBOKBRFDOOKC-YUMQZZPRSA-N 474.962 4.203 50 10 JIGE COc1cccc(CNCCSSCCNC(=O)OC(C)(C)C)c1Br 2061270286 MHNUYDDKRDTTAC-UHFFFAOYSA-N 451.452 4.453 50 10 JIGE COc1ccc(-n2nc(CBr)c(I)c2C(F)(F)F)cc1O 2079258280 IKCSSYHBKDKETA-UHFFFAOYSA-N 477.018 4.105 50 10 JIGE CN(C[C@H]1CCCCN1Cc1ccccc1)S(=O)(=O)c1csc(CBr)c1 2123235654 ASLUMCMNUWZWGO-QGZVFWFLSA-N 457.459 4.318 50 10 JIGE FC1(F)C[C@H](CBr)N(c2ncc(C(F)(F)F)cc2I)C1 2159051287 JBCNGZSKSZNHFQ-SSDOTTSWSA-N 471.005 4.314 50 10 JIGE CN([C@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(F)ccc1CBr 2179789394 PYJNYHZIZWYRJY-IBGZPJMESA-N 455.393 4.006 50 10 JIGE Cc1c(Br)cc(CBr)cc1S(=O)(=O)N1CCC=C(Br)C1 2179829595 CMEUAPJKQGJVRV-UHFFFAOYSA-N 488.039 4.326 50 10 JIGE CCN(CCCOCc1ccccc1)S(=O)(=O)c1ccc(F)c(CBr)c1F 2179860865 YQTGWVNKYKAHPE-UHFFFAOYSA-N 462.356 4.477 50 10 JIGE O=S(=O)(c1ccc(F)c(CBr)c1F)N1CCC[C@@H](OCc2ccccc2)C1 2186382337 ULGCPUSVUGSCMJ-OAHLLOKOSA-N 460.340 4.230 50 10 JIGE CN(CC1(Br)CC1)S(=O)(=O)c1cc(Br)cc(CBr)c1F 2196937423 JOOPHQXAYSYUKZ-UHFFFAOYSA-N 494.018 4.031 50 10 JIGE CC[C@H](C)[C@@H](CI)NC(=O)c1ccc(C)c(I)c1 2217853477 UWWYITXFTJGNHQ-TVQRCGJNSA-N 471.120 4.179 50 10 JIGE C[C@]1(CBr)C=CCCN1S(=O)(=O)c1cc(Br)ccc1Br 2279062900 BFGXEPIVHMMNSA-CYBMUJFWSA-N 488.039 4.316 50 10 JIGE O=C(c1cc(Br)c(Br)s1)N1C[C@@H]2CC[C@@H](CBr)O[C@H]2C1 2289203687 JHUUVRKUUFBHMU-NRPADANISA-N 488.039 4.288 50 10 JIGE Cc1ccc(C(=O)NNC(=O)CCCN2C(=O)C(=Cc3ccccc3Cl)SC2=S)cc1 2295924256 KRTJDEBLFHWONA-UHFFFAOYSA-N 474.007 4.091 50 10 JIGE O=C(N[C@H]1C[C@H](CBr)[C@@H]2C[C@H]12)c1ccc(Cl)cc1I 2340063591 ABRGJKANDVPRLY-ROBVANNZSA-N 454.533 4.094 50 10 JIGE CC[C@]1(CBr)COCCN1Cc1ccc(Cl)cc1I 2341048254 JADJYKFHXPUWDC-AWEZNQCLSA-N 458.565 4.321 50 10 JIGE CCn1nc(Br)c(COc2ccc(Br)c(CBr)c2)n1 2351858437 VYMANNAYPZMSHI-UHFFFAOYSA-N 453.960 4.297 50 10 JIGE CC(C)(C)c1cc(Br)ccc1OCC(=O)NNC(=O)COc1ccccc1Cl 14668235 DTSDQYMMUIRVEQ-UHFFFAOYSA-N 469.763 4.005 50 10 JIGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4OC)ccc32)cc1 38658052 OVSGXPRHTAPMAH-HHHXNRCGSA-N 484.508 4.463 50 10 JIGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(Nc2ccc(F)cc2F)c1[N+](=O)[O-] 40659554 GKSZTMYVPIBWPR-UHFFFAOYSA-N 485.234 4.236 50 10 JIGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccccc2Br)c(OC)c1 40988479 NXYWVHFWDCOGQV-SFQUDFHCSA-N 487.350 4.265 50 10 JIGE O=C(N/N=C1\C(=O)N(CCc2ccccc2)c2ccc(Br)cc21)C1CCCCC1 59160441 MMSBJMFERPOFEA-DAFNUICNSA-N 454.368 4.439 50 10 JIGE CCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2)cc1 206700473 ZZIRTFBAOKJADM-HHQODBOJSA-N 467.481 4.414 50 10 JIGE C[C@H]1CN(S(=O)(=O)c2cc(Br)ccc2Br)CC[C@H]1Br 253193970 OXVWXJYNZYPKDW-WCBMZHEXSA-N 476.028 4.006 50 10 JIGE O=S1(=O)CCC(COc2c(Br)cc(CBr)cc2Br)CC1 692837832 TYDDBQZCUKBGHW-UHFFFAOYSA-N 491.039 4.310 50 10 JIGE COc1cccc(Cc2cnc(NC(=O)NNC(=O)COc3cc(C)ccc3C(C)C)s2)c1 727839069 VRDVEEMUSHFKFE-UHFFFAOYSA-N 468.579 4.406 50 10 JIGE COc1ccc(C)cc1N(CC(=O)NN=C(C)CCc1ccccc1)S(=O)(=O)c1ccccc1 1084279968 HHXDKOYTBAUIHE-UHFFFAOYSA-N 479.602 4.324 50 10 JIGE O=C(NCC1(c2cccc(C(F)(F)F)c2)CC1)NNC(=O)c1ccc(Br)cc1 1325966898 LLYUUMORQVEFNQ-UHFFFAOYSA-N 456.262 4.144 50 10 JIGE C=CCOc1ccc(/C=C\C(=O)NNc2ccccc2I)cc1OC 1644642005 VKKQOMCKUZLHQZ-LUAWRHEFSA-N 450.276 4.021 50 10 JIGE CC(C)(C)OC(=O)NCCN(Cc1ccccc1)S(=O)(=O)c1ccc(CCCl)cc1 1663247326 GVGSTHNJBMGORZ-UHFFFAOYSA-N 453.004 4.184 50 10 JIGE C=CCC[C@H](NC(=O)NNC(=O)c1nnc(O)c2ccccc12)c1ccc(C(F)(F)F)cc1 1685817217 JQRLGNDSUKFUES-KRWDZBQOSA-N 459.428 4.006 50 10 JIGE Brc1cc(CNC[C@H]2C[C@H](Br)C2)ccc1I 1904343220 GEDAKQURDFSAFN-MGCOHNPYSA-N 458.963 4.317 50 10 JIGE CN(Cc1nn(C)c(Cl)c1Br)C[C@H](Br)COCc1ccccc1 1916349507 VHDJWEYGSGUGFL-ZDUSSCGKSA-N 465.617 4.248 50 10 JIGE O=C(c1cccc(Br)c1Br)N1CCS[C@@H](CBr)C1 2031477677 DBFXXLYJVGRRJP-QMMMGPOBSA-N 458.013 4.164 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1ccc(F)cc1Br 2061268425 SWKRSXAMRRXNQE-UHFFFAOYSA-N 453.399 4.224 50 10 JIGE CCN(C[C@](C)(CI)OC[C@H](C)N1CCCCC1)C(=O)OC(C)(C)C 2066643500 ACVWYDIOZZTIHZ-LPHOPBHVSA-N 468.420 4.328 50 10 JIGE C#CC[C@](C)(CBr)CNC(=O)c1cc(Br)sc1Br 2084841416 LPRUKQBQPZEUAT-GFCCVEGCSA-N 458.013 4.427 50 10 JIGE CC1CC(CBr)(N(C)S(=O)(=O)c2cc(Cl)c(Br)s2)C1 2108317508 NLOARWQRDHPXFO-UHFFFAOYSA-N 451.633 4.348 50 10 JIGE O=C(N[C@@H]1C[C@H](CCl)[C@@H]2C[C@@H]12)c1cc(Br)ccc1I 2110550863 VDBRKQMWGDNDLX-ISCDUZKHSA-N 454.533 4.047 50 10 JIGE COCCN1C[C@@H](Br)[C@@H](Cc2cc(Br)ccc2Br)C1 2118533529 ZYUIAEWYIPEXMW-SMDDNHRTSA-N 456.016 4.096 50 10 JIGE Cn1nc(Br)c(C[C@H](CBr)Cc2cccc(Br)c2)n1 2226986277 XAFSZJSJFDNZST-SNVBAGLBSA-N 451.988 4.136 50 10 JIGE C[C@H](Br)[C@@H]1CCN(C(=O)Cc2cc(Br)cc(Br)c2)C1 2277936294 VEUPWBWWCPAQGD-GXSJLCMTSA-N 454.000 4.386 50 10 JIGE COc1ccc(-c2nnc(SCC(=O)NN=CC=Cc3ccco3)n2-c2ccccc2)cc1OC 2293559205 PFVRBQCMJXAWOO-UHFFFAOYSA-N 489.557 4.452 50 10 JIGE COc1cccc(C=C(C#N)C(=O)Nc2ccc(C(=O)O)cc2)c1OS(=O)(=O)c1ccc(C)cc1 2294511011 RBLVFLHPDSPINP-UHFFFAOYSA-N 492.509 4.015 50 10 JIGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)S(=O)(=O)c2ccccc2)cc1 2296718568 XKYVYNVZFUYDGH-UHFFFAOYSA-N 457.511 4.442 50 10 JIGE COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cc([N+](=O)[O-])ccc2Cl)cc1 2297298860 PZTARXGYCNMGSH-UHFFFAOYSA-N 478.892 4.178 50 10 JIGE Cc1nn2c(=O)cc(COc3ccc(C=C(C#N)C(=O)Nc4ccccc4)cc3Cl)nc2s1 2297350791 UWWZRPNBCWDVBB-UHFFFAOYSA-N 477.933 4.238 50 10 JIGE CCOc1ccc(CCNC=C(C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1OCC 2325215938 GYXXNGMXPULEPB-UHFFFAOYSA-N 458.902 4.224 50 10 JIGE COCCO[C@@H]1[C@@H](Br)C[C@H]1OCc1ccc(Cl)cc1I 2365635093 CBWDEKVFQJWKTG-IACUBPJLSA-N 475.548 4.029 50 10 JIGE N#C/C(C(N)=O)=C1\S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(Br)cc1 2888343 CIOOGNNGWLECNH-DAMBIUFKSA-N 462.756 4.014 50 10 JIGE CCOc1cc(/C=C(/C#N)c2nn(CCO)c(N)c2C#N)ccc1OCc1ccc(Cl)cc1 6600589 KSTUEVVKJFBSFK-WQRHYEAKSA-N 463.925 4.025 50 10 JIGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)COc1ccc2ccccc2c1 12502617 LQCKXCUYLNJYKD-ZDUSSCGKSA-N 492.384 4.015 50 10 JIGE CCCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccccc1OCCC 14033114 XOFZAJJHHPOSCU-UHFFFAOYSA-N 457.596 4.384 50 10 JIGE CCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccccc1C(C)C 14036121 QCLNFXMMDHLMDJ-UHFFFAOYSA-N 457.596 4.094 50 10 JIGE C=CCOc1ccc(C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 14649957 MAALYOOYYXKYOF-UHFFFAOYSA-N 461.356 4.151 50 10 JIGE CC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C(=O)O)cc2)=C(C#N)[C@@H]1c1sccc1C 20426859 QLNSXXMYSITYJL-FQEVSTJZSA-N 467.572 4.412 50 10 JIGE COc1ccc(/C(C#N)=C\c2cccc(OC(=O)[C@H](C)N3C(=O)c4ccccc4C3=O)c2)cc1OC 31902952 QIYFZTKZPUGFFK-IZQLPPHKSA-N 482.492 4.358 50 10 JIGE CC(/C=C/c1ccccc1)=N\NC(=O)CCCSc1nnc(-c2ccc(Br)cc2)n1N 58991424 IVLGLTJPTNNUQS-FFQUGTETSA-N 499.438 4.499 50 10 JIGE COc1ccc(COC(=O)N/N=C/c2ccccc2OS(=O)(=O)c2ccc(C)cc2)cc1 59165487 FXPWDBBWEIUXGJ-BUVRLJJBSA-N 454.504 4.032 50 10 JIGE C=CCn1c(CNc2ccccc2)nnc1S[C@H](C)C(=O)N/N=C(\C)c1ccc([N+](=O)[O-])cc1 59261329 KWBHRBBHPGPKMT-GZPJKGAFSA-N 479.566 4.005 50 10 JIGE C[C@@H]1CN(Cc2ccccc2)CCCN1S(=O)(=O)c1ccc(CCl)cc1Br 382641217 CPLFMKKIYIIOPQ-MRXNPFEDSA-N 471.848 4.473 50 10 JIGE C[C@H](CCCBr)CNS(=O)(=O)c1cc(Br)ccc1Br 384803698 ZAPVMKGVOXTIEH-SECBINFHSA-N 478.044 4.301 50 10 JIGE O=C(NNC(=S)Nc1cccc(Br)c1)C1CCN(c2nc3ccccc3s2)CC1 727493333 MIYWGNNTLABUPS-UHFFFAOYSA-N 490.452 4.293 50 10 JIGE CCOc1ccccc1NC(=O)C(=O)NN=Cc1ccc(OCc2ccccc2Cl)cc1 1084337911 HYOFMDWNDCRXBU-UHFFFAOYSA-N 451.910 4.407 50 10 JIGE C=C[C@@H]1OCC[C@H]1CNC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(Br)cc2)c1C 1598167916 YDENMEVAJNXTDQ-OAISXNBJSA-N 454.368 4.471 50 10 JIGE COc1ccc(/C=C(\C#N)C(=O)NCc2ccc3n2CCN(C(=O)OC(C)(C)C)[C@H]3C)cc1OC 1866130409 SWBPSYRZQGDXQE-AMRJIULGSA-N 480.565 4.040 50 10 JIGE C[C@@H](CCBr)N(C)C(=O)c1cc(I)ccc1Br 1917084136 JKXLLPNYOOLDMN-QMMMGPOBSA-N 474.962 4.299 50 10 JIGE O=S1(=O)CCC[C@H]1[C@@H](Br)c1sc(Br)cc1Br 1922896132 CCLNHBRXSOWCSO-POYBYMJQSA-N 453.015 4.286 50 10 JIGE CCOC(=O)c1c(OC(F)(F)F)ccc(I)c1CBr 2055273093 RWZDNHQVJBQBQX-UHFFFAOYSA-N 452.992 4.261 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC[C@@H]2CC23CCOCC3)C1 2077646397 TVTGKNFCTAJYSO-HNAYVOBHSA-N 465.372 4.024 50 10 JIGE C[C@H](Br)CN1CCN(Cc2ccc(Br)cc2Br)CC1 2113861957 RXZRVPYJDZJXAK-NSHDSACASA-N 455.032 4.113 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1CC[C@@H](Br)[C@@H]1C1CC1 2130612387 RFVFJGBAGATJIE-YPMHNXCESA-N 454.533 4.333 50 10 JIGE CCN1CCC[C@H]([C@H](Cl)c2cc(Br)ccc2I)S1(=O)=O 2145767401 CXSOHIVPVPNFGO-CHWSQXEVSA-N 492.604 4.148 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2C[C@H](Br)CC2(C)C)cc1Br 2154837152 SDJTZWPEBYPWEL-SECBINFHSA-N 490.055 4.457 50 10 JIGE FC1(CBr)CCN(c2ncc(C(F)(F)F)cc2I)CC1 2157516477 FSCZVXWOKMCZEF-UHFFFAOYSA-N 467.042 4.408 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2CCCC[C@H](Br)C2)cc1Br 2169218492 OERWDZUPISETLS-JTQLQIEISA-N 490.055 4.458 50 10 JIGE Cc1sc(CBr)cc1S(=O)(=O)N1C[C@H]2CN(Cc3ccccc3)C[C@@]2(C)C1 2179820786 BYPBXMJBANMBFC-XLIONFOSSA-N 469.470 4.094 50 10 JIGE Cn1nc(Br)c([C@H](Cl)c2cc(Br)sc2Br)n1 2210979439 WKYGEVLNKNXWMZ-RXMQYKEDSA-N 450.381 4.492 50 10 JIGE CS(=O)(=O)C1([C@H](Br)c2cc(Br)c(Br)cc2F)CC1 2218597776 OUNDMIIJWCJJDS-SNVBAGLBSA-N 464.976 4.364 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@@H]2CC(Br)C[C@H]2C1 2295313838 POSFLGPJGFNZEY-QWRGUYRKSA-N 466.011 4.386 50 10 JIGE Cc1nc(I)c(I)n1-c1ccnc(Cl)c1CCl 2304407846 JUSKEIWFWHSEBD-UHFFFAOYSA-N 493.901 4.177 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@H]2CC[C@H](Cl)[C@H]2C1 2333350151 IRLRLDQTNPNCMY-ZHAHWJHGSA-N 454.533 4.143 50 10 JIGE CC(C)CCOc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2Cl)c1 14644882 AHFTUMQJKGKXJH-UHFFFAOYSA-N 484.405 4.133 50 10 JIGE CCOc1ccc(Br)cc1C(=O)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 14654953 HBRJZCMVCMVWKR-SNVBAGLBSA-N 476.154 4.383 50 10 JIGE CCC(C)(C)C(=O)O[C@H]1C[C@@](C)(OO)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21 77300853 FOGQBCWWWLNSOK-IZNVKPSSSA-N 450.572 4.198 50 10 JIGE in-vitro Cc1onc(-c2ccccc2)c1C(=O)N/N=C1/C(=O)N(CCc2ccccc2)c2ccccc21 104120343 YEXAHPYOWLJSHH-AZPGRJICSA-N 450.498 4.373 50 10 JIGE COc1cc(/C=C(/C#N)C(=O)N2CCOCC2)ccc1OC(=O)c1ccccc1CCc1ccccc1 207172780 WDWNAYWIBHVIPY-PLRJNAJWSA-N 496.563 4.465 50 10 JIGE O=S(=O)(N[C@@H]1CCCC[C@H]1CBr)c1cc(Cl)c(Br)s1 231621975 LDHVKPOMJUDEIV-IONNQARKSA-N 451.633 4.396 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1[C@H]2CC[C@H]1CC(Br)C2 232348111 LGQXJPLJOATTNS-QWRGUYRKSA-N 454.533 4.475 50 10 JIGE O=C(NN=Cc1c(Cl)cccc1Cl)c1ccc(Cn2cc(Br)c([N+](=O)[O-])n2)o1 252597049 COKCFWIZVBKPDJ-UHFFFAOYSA-N 487.097 4.266 50 10 JIGE COc1cccc(C=NNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(SC)cc2)c1 252618841 LKDJBSBNSIEIDM-UHFFFAOYSA-N 483.615 4.071 50 10 JIGE Cc1nc(C)c(CCNC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)s1 731021551 IAVLFPJJBPGJMJ-PDGQHHTCSA-N 464.982 4.456 50 10 JIGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NN=Cc2cc(Br)ccc2O)cc1 1082753886 VEFCEARCYUMQLE-UHFFFAOYSA-N 452.308 4.479 50 10 JIGE COc1ccc(C=NNC(=O)CCC(=O)Nc2ccc(F)cc2)cc1OCc1ccc([N+](=O)[O-])cc1 1083911127 HYIUNKCAXFYAFD-UHFFFAOYSA-N 494.479 4.191 50 10 JIGE CC(=O)c1oc2cc(C)ccc2c1CC(=O)NNC(=O)COc1ccccc1-c1ccccc1 1538851127 IGDNPEKYEKJFAS-UHFFFAOYSA-N 456.498 4.380 50 10 JIGE O=C(NNc1ccc(OCCOc2ccccc2Cl)cc1)C1CCN(C(=O)C(F)(F)F)CC1 1858080386 AHHLGPSGBRZBPL-UHFFFAOYSA-N 485.890 4.042 50 10 JIGE CCCn1nc(CC)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OC(=O)c2ccccc2)c(OC)c1 1865705406 VAIJKSBUCKFPFA-JOCHJYFZSA-N 458.518 4.301 50 10 JIGE O=C(COc1ccc(C(=O)NC2CCCCC2)cc1)N/N=C/c1ccc(-c2ccc(C(=O)O)cc2)o1 1873496927 DXVDTVBNPQFDKJ-LQKURTRISA-N 489.528 4.236 50 10 JIGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)[C@H](C)NC(=O)OC(C)(C)C)cc1C 1873793465 MAOKTYUQPSQQFW-FLOSOGMCSA-N 477.565 4.220 50 10 JIGE COc1cc(/C=N/NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)cc(OC)c1OCc1ccccc1 1873795660 WFACBGJVGSLSRM-QYJQOTDOSA-N 485.581 4.282 50 10 JIGE CCN(C[C@](C)(CI)OCC(F)(F)C(F)F)C(=O)OC(C)(C)C 1900607689 PJMPYWFQGTVKOK-ZDUSSCGKSA-N 457.246 4.354 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@@H](Cl)CC2(CC2)C1 1925986683 FGBWMQLJXGOCPP-JTQLQIEISA-N 454.533 4.287 50 10 JIGE CN(c1ncc(I)cc1Br)[C@H]1CCC[C@H]1Br 1988535639 YOGNTJMMULJGQD-SCZZXKLOSA-N 459.951 4.201 50 10 JIGE O=C(CCl)c1cc(I)c(I)cc1OC(F)(F)F 2060034985 YTVBFKHTRDOPED-UHFFFAOYSA-N 490.384 4.216 50 10 JIGE C[C@@H]1C[C@@H](CBr)CN1C(=O)c1ccc(Br)cc1I 2086147286 LOXVYLCGKNYVBD-BDAKNGLRSA-N 486.973 4.299 50 10 JIGE O=C(c1ccc(Br)cc1Br)N1C[C@H]2[C@@H](Br)CC[C@H]2C1 2087938345 WSCHRVPFGWIDFF-AXTRIDKLSA-N 451.984 4.457 50 10 JIGE CC1(C)CC[C@H](CBr)N1S(=O)(=O)c1cc(Cl)c(Br)s1 2140845140 HPSDEOLOPBBKGR-SSDOTTSWSA-N 451.633 4.491 50 10 JIGE O=C(c1cc(I)ccc1F)N1C[C@@H]2CC[C@@H](Br)C[C@H]2C1 2169668274 ODXUKLHYKFUEMY-GARJFASQSA-N 452.105 4.066 50 10 JIGE C[C@H]1CC[C@@H](CN(C)S(=O)(=O)c2cc(CBr)sc2Br)S1 2179785619 ORJOQJBWUZQFSV-IUCAKERBSA-N 463.282 4.310 50 10 JIGE C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(CBr)cc2F)CN1Cc1ccccc1 2179790831 JHNJTASTXNUPQK-CRAIPNDOSA-N 455.393 4.004 50 10 JIGE O=S1(=O)CC[C@H]([C@H](Br)c2cc(Br)c(Br)cc2F)C1 2218596630 HEENKXAEJURAFS-KGFZYKRKSA-N 464.976 4.221 50 10 JIGE COc1cc(C)c(Br)c(C)c1[C@@H](Br)c1nn(C)nc1Br 2285071381 ZXRFQLDVSWLDMO-LLVKDONJSA-N 467.987 4.450 50 10 JIGE N#CC(=Cc1cccc(OS(=O)(=O)c2ccc(Cl)cc2)c1)C(=O)Nc1ccc(C(=O)O)cc1 2293142400 SPLFRJNHSQWXOE-UHFFFAOYSA-N 482.901 4.352 50 10 JIGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OCCOc1ccc(OC)cc1 2293152731 BKLFCHMVAOYWKP-UHFFFAOYSA-N 462.502 4.368 50 10 JIGE CCCCCCn1c(O)c(C(=O)NN=C(C)c2c(O)nc3ccccc3c2O)c(=O)c2ccccc21 2297739746 RMHXZJYTVXXBOH-UHFFFAOYSA-N 488.544 4.401 50 10 JIGE Cc1cc2ncn(CC(=O)NN=C3C(=O)N(CC=Cc4ccccc4)c4ccccc43)c2cc1C 2313646596 BCBFFGSBQTYOSP-UHFFFAOYSA-N 463.541 4.234 50 10 JIGE Cc1cc(=O)oc2cc(OCC(=O)NN=Cc3c(O)ccc4cc(Br)ccc34)ccc12 2328804123 OUGVWEVFLLWMFC-UHFFFAOYSA-N 481.302 4.252 50 10 JIGE COc1ccc(-c2csc(C(C#N)=C(O)CNC(=O)c3ccccc3)n2)c(OC)c1OC 2331413775 NTMKNARRNVOQST-UHFFFAOYSA-N 451.504 4.059 50 10 JIGE Cn1cc(I)c(C[C@H](CBr)Cc2cccc(Cl)c2)n1 2341757044 ZEURMXMLSKCIRE-LLVKDONJSA-N 453.549 4.474 50 10 JIGE Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=O)[C@H](C)Oc2c(C)cc(Br)cc2C)c1 14643143 CQDSCFIVKHUBIN-KRWDZBQOSA-N 490.398 4.016 50 10 JIGE CCCCC(=O)Nc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Br)cc1 14644439 BSPSTTINOPKPGX-ZDUSSCGKSA-N 496.789 4.460 50 10 JIGE COc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccccc3C)nc3ccccn3c2=O)cc1 33624824 XPXMORFBOPTPIF-SDXDJHTJSA-N 452.470 4.350 50 10 JIGE CC(=C/c1ccccc1)/C=C(\NC(=O)c1ccccc1)C(=O)N/N=C1\C(=O)Nc2ccc(C)cc21 38166794 SFBHLMGAUTVETR-ZMCYRPOLSA-N 464.525 4.185 50 10 JIGE Cc1c(C(=O)NNC(=O)c2ccncc2)oc2c1/C(=N/Nc1cccc(C(F)(F)F)c1)CCC2 40824070 UASVZNWQRPUANX-STBIYBPSSA-N 471.439 4.229 50 10 JIGE CCOc1ccc(NC(=O)CCC(=O)NNC(=O)C(C)(C)CCCOc2cc(C)ccc2C)cc1 66201429 NHOMQZZMSVKFRZ-UHFFFAOYSA-N 483.609 4.454 50 10 JIGE CCN(CC)Cc1ccc(C(=O)NNC(=O)c2sc3nc(C(F)(F)F)ccc3c2C)o1 109421208 OWVSHKYZQLAEAC-UHFFFAOYSA-N 454.474 4.133 50 10 JIGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)NN=Cc1ccc(F)cc1 252597900 CVXSYIFTYGMRJQ-HNNXBMFYSA-N 472.977 4.500 50 10 JIGE O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)NN=C1CC(=O)c2ccccc21 254291699 YLOVEKOWGFSLBQ-UHFFFAOYSA-N 453.527 4.133 50 10 JIGE Cc1c(Br)cc(CCl)cc1S(=O)(=O)N1CC2(CN(Cc3ccccc3)C2)C1 706183674 AQSUSXIEWVEYDB-UHFFFAOYSA-N 469.832 4.003 50 10 JIGE O=C(NC1(CCBr)CCSCC1)c1ccccc1I 719719136 IQZHERGDRXVQPF-UHFFFAOYSA-N 454.171 4.072 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CCS[C@@H](CCCl)C1 720035581 SXQDCODORZLUAW-JTQLQIEISA-N 474.589 4.240 50 10 JIGE N#CCCn1cc(/C=C(/C#N)C(=O)NCc2ccc(C#N)cc2F)c(-c2ccc(Cl)cc2)n1 729832871 QJRYEMNDXHRLBN-ODLFYWEKSA-N 458.884 4.351 50 10 JIGE C[C@@H]1CCc2sc(C(=O)NNC(=O)/C(C#N)=C\c3cn(CCC#N)nc3-c3ccccc3)cc2C1 914462259 GPQNPVPYQLFBQI-VJOZSWGJSA-N 484.585 4.018 50 10 JIGE O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)N/N=C\c1ccc(Br)cc1F 1860772654 DSTFFFKRLYZGQD-MRUKODCESA-N 485.338 4.177 50 10 JIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC(C)C)cc(Br)c1O 1865689810 WZVCLOJNXNDRJL-CYBMUJFWSA-N 487.276 4.253 50 10 JIGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2C[C@H]2c2ccccc2)cc1 1867051029 VQBLMPBYNIWPOL-VXNXHJTFSA-N 457.555 4.435 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1C[C@@H](Br)CC2(CC2)C1 1926031483 WDDWYGGIEJTOJL-JTQLQIEISA-N 454.533 4.334 50 10 JIGE CC1(C)CN(c2ncc(I)cc2Br)C[C@@H]1Br 1988532214 DCPHHQNGBVRYMG-VIFPVBQESA-N 459.951 4.058 50 10 JIGE O=C(c1csc(Br)c1Br)N1C[C@H](Br)[C@H](Br)C1 1990922207 MXNFRLGRNRIEGO-OLQVQODUSA-N 496.844 4.256 50 10 JIGE Cc1ccnc(C)c1-n1nc(CBr)c(I)c1C(F)(F)F 2078932771 NYJGLADSTDIUME-UHFFFAOYSA-N 460.035 4.402 50 10 JIGE O=C(NCC1(CCBr)CC1)c1ccc(Br)cc1I 2086147032 IFMZXVIMPTYYKT-UHFFFAOYSA-N 486.973 4.349 50 10 JIGE O=C(c1cc(Br)cc(Br)c1)N1CC(F)(F)C[C@@H]1CBr 2102788861 IZNZLELYBJYGJH-SNVBAGLBSA-N 461.926 4.456 50 10 JIGE C[C@]12CN(C(=O)c3ccc(I)c(Cl)c3)C[C@]1(CBr)C2 2109184496 YBIQZOMFNOATAP-UONOGXRCSA-N 454.533 4.192 50 10 JIGE CCn1cc(Br)c(CC(CBr)(CBr)C2CCOCC2)n1 2181152686 YVNZEXHVILEKHD-UHFFFAOYSA-N 473.047 4.411 50 10 JIGE BrC[C@@]12COC[C@@H]1CN(Cc1cccc(Br)c1Br)C2 2226184357 GGUDOCGGJGAXAG-SMDDNHRTSA-N 454.000 4.055 50 10 JIGE Cc1ccc(I)c(C(=O)N2CC[C@H](CBr)C(F)(F)C2)c1 2240900828 INPUVILDPACCCS-SNVBAGLBSA-N 458.084 4.092 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@H](F)C[C@@H](Br)C1 2277924686 DAPMSNIASSKUED-VXGBXAGGSA-N 457.963 4.088 50 10 JIGE O=C(c1scc(Br)c1Br)N1C[C@@H]2CC[C@H](CBr)O[C@H]2C1 2289335347 XXNQBBGWDXDBDT-XKSSXDPKSA-N 488.039 4.288 50 10 JIGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NC[C@@H]2CCCO2)c(C)c1 2296705154 XEZZGUQBYHJFLU-DEOSSOPVSA-N 456.546 4.449 50 10 JIGE CCOc1c(Br)cc(C=C(C#N)C(=O)NCCc2ccc(OC)c(OC)c2)cc1OC 2297381995 KNNOHZYCTGAYHR-UHFFFAOYSA-N 489.366 4.139 50 10 JIGE COC[C@@H](C)n1c(C)cc(C=C(C#N)C(=O)N2CCN(Cc3cccc(Cl)c3)CC2)c1C 2297430390 UVSXDRUXPIYNNX-LJQANCHMSA-N 455.002 4.217 50 10 JIGE COCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(OC)c2)C(C)=C(C#N)C1=O 2314618899 WIQIIGYTAHJIDZ-UHFFFAOYSA-N 482.540 4.177 50 10 JIGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2)cc1 12489115 XQLSFJAQTDCNLF-UHFFFAOYSA-N 459.546 4.385 50 10 JIGE CC(C)(C)c1ccccc1OCC(=O)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 14666802 SBVFQOLOZVAJJQ-UHFFFAOYSA-N 451.567 4.343 50 10 JIGE C=CCNC(=O)/C(C#N)=C\c1ccc(OC(=O)c2c(Cl)ccc(Cl)c2OC)c(OC)c1 33378562 WEJDADQYIFJWKS-UVTDQMKNSA-N 461.301 4.439 50 10 JIGE C/C(N)=C(/C#N)C(=O)COC(=O)/C=C\c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 33630087 VLSPVMCKRSKVPY-ZUPCBTBPSA-N 491.345 4.184 50 10 JIGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(Nc2ccc(Cl)cn2)c1[N+](=O)[O-] 40647095 KEVZVTSNCNONGE-UHFFFAOYSA-N 484.687 4.006 50 10 JIGE COc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccccn1)CCC2 40814245 OBIUXKZBKDNHOF-JFLMPSFJSA-N 452.898 4.368 50 10 JIGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(Br)c(C)c2)c(OC)c1 40841065 OVXUHWFLGJAZAA-MHWRWJLKSA-N 474.307 4.221 50 10 JIGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2cccc(Br)c2)c(OC)c1 40988186 BKVKDWFVLUJCGW-GZTJUZNOSA-N 487.350 4.265 50 10 JIGE O=C(O)c1ccc(COc2ccccc2/C=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1 59157668 NCURLEQEOSFJPD-OXUBWTJQSA-N 466.309 4.247 50 10 JIGE COc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccccc2OC)C(=O)CCl)cc1 97914321 XZPLJNGFYVZWBZ-XMMPIXPASA-N 458.986 4.461 50 10 JIGE CCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCCOC)cc2OC)cc1 103647692 DPOKAGDODNZKIB-JNAUZAODSA-N 478.545 4.162 50 10 JIGE CCOc1cc(/C=N/NC(=O)Cc2cc(OC)ccc2Cl)cc(Br)c1OC 169922038 GAEYPPMMIBEKNV-SSDVNMTOSA-N 455.736 4.211 50 10 JIGE COc1cccc(C=NNC(=O)CSc2nnc(SCc3ccc(C)cc3)s2)c1O 254400527 JAUSDWBCEJTKJO-UHFFFAOYSA-N 460.606 4.095 50 10 JIGE O=C(NN=Cc1ccccc1OC(=O)c1ccco1)/C(=C\c1cccs1)NC(=O)c1ccccc1 254852032 DJVZNPYMEGGEDN-HVFNAJFJSA-N 485.521 4.482 50 10 JIGE COc1cc(C=NNC(=O)COc2ccccc2[N+](=O)[O-])ccc1OCc1ccccc1Cl 256017179 YOQSLDHDGHXRRI-UHFFFAOYSA-N 469.881 4.365 50 10 JIGE O=[N+]([O-])c1ccc([C@@H](Br)c2cc(I)cc3c2OCC3)o1 379944974 CUIHOYMSLDFZGN-LBPRGKRZSA-N 450.026 4.212 50 10 JIGE FC(F)(F)Oc1c(I)cc(CBr)nc1Br 396185449 VGNJATCWMRUNLH-UHFFFAOYSA-N 460.813 4.242 50 10 JIGE C[C@@H]1C[C@H](Br)CN(C(=O)c2cc(Br)ccc2I)C1 401938231 GBHNWAIZKKUYNH-SCZZXKLOSA-N 486.973 4.299 50 10 JIGE CC(C)(C)OC(=O)N1C[C@H](c2ccc([N+](=O)[O-])c(F)c2)[C@@H](CI)C1 725389789 XYTZTBQINQZSIA-NWDGAFQWSA-N 450.248 4.119 50 10 JIGE Cc1nn(C)c2ncc(NC(=O)/C(C#N)=C/c3cn(CCC#N)nc3-c3ccc(Cl)cc3)cc12 818610463 HGJQXWSUCOEFKQ-LICLKQGHSA-N 470.924 4.253 50 10 JIGE COc1c(C(=O)NN=C2C(=O)N(CCOc3ccccc3)c3ccccc32)ccc2ccccc12 1084365525 YXFVDGCACIYDHP-UHFFFAOYSA-N 465.509 4.408 50 10 JIGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2cccc(-c3nc4ccccc4o3)c2)cc1 1210394865 SLYBQEUDBXNXSH-INIZCTEOSA-N 458.474 4.318 50 10 JIGE C#Cc1cccc(NC(=S)NNC(=O)[C@@H](CNC(=O)OC(C)(C)C)C2CCCCCC2)c1 1637299116 KEHBMSPDPPCXCX-FQEVSTJZSA-N 458.628 4.097 50 10 JIGE COc1ccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4ccc5c(c4)OCCO5)c(C)c32)cc1 1772745889 NDTVGWYMFUAODX-UHFFFAOYSA-N 475.501 4.091 50 10 JIGE COc1ccc(C)cc1NC(=O)COc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1F 1858684200 HNLIMKJEISLMOE-UHFFFAOYSA-N 470.413 4.074 50 10 JIGE COC(=O)c1c(NC(=O)C(C)(C)NC(=O)OCc2ccccc2)sc(/C(C)=C/C#N)c1C 1873428885 WNNWRUPQGBGHBC-SDNWHVSQSA-N 455.536 4.414 50 10 JIGE O=C(N[C@H](CSC[C@@H]1C[C@@H]1Br)C(=O)O)OCC1c2ccccc2-c2ccccc21 1877465027 LELIJQGYTGSLAN-QTJFZDIUSA-N 476.392 4.495 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCNCC12CC(CCN1C(=O)OC(C)(C)C)C2 1902083137 VCFCSELBKGVRCQ-UHFFFAOYSA-N 461.694 4.272 50 10 JIGE O=C(N[C@H](CCBr)COCc1ccccc1)c1ccc(I)cc1 1902794367 JHLBNGOKVHJMCU-QGZVFWFLSA-N 488.163 4.391 50 10 JIGE Cc1c(Br)sc([C@H](Br)[C@@H]2[C@H]3CS(=O)(=O)C[C@H]32)c1Br 2054226818 MRQCSTHJTDMVHH-UTSKPXGSSA-N 479.053 4.308 50 10 JIGE BrC[C@@H]1CN(c2ncc(I)cc2Br)CC12CCC2 2069533596 JSRUNULBLNBYRK-SECBINFHSA-N 485.989 4.450 50 10 JIGE C#CC[C@@](C)(CBr)CNC(=O)c1cc(Br)sc1Br 2084841417 LPRUKQBQPZEUAT-LBPRGKRZSA-N 458.013 4.427 50 10 JIGE CSCC[C@@H](Br)CCNC(=O)c1ccc(F)cc1I 2090384101 FVHANMSWSRGDEK-VIFPVBQESA-N 460.150 4.067 50 10 JIGE O=C(N[C@H](CCl)c1cscn1)c1cc(Br)ccc1I 2119045326 NKKBSMQRBZQPII-SNVBAGLBSA-N 471.545 4.220 50 10 JIGE CC(C)(C)OC(=O)N1CCC(CI)(OC[C@H]2C[C@H]2C2CCOCC2)CC1 2135988527 DNWUDOPWKHPOJE-SJORKVTESA-N 479.399 4.270 50 10 JIGE O=S(=O)([C@H]1C[C@H](OCc2ccccc2)C1)N1CCC[C@@]2(CBr)CCCC[C@H]12 2165236830 BBWCZNYSVLWHMN-XSDIEEQYSA-N 456.446 4.484 50 10 JIGE CC(C)(C)OC(=O)NCc1nc2c(s1)CCN(C(=O)[C@H](Br)C1CCCC1)C2 2167033134 MBAZSXBSGXXWTQ-MRXNPFEDSA-N 458.422 4.006 50 10 JIGE Clc1ccc(I)c(CN2C[C@H](Br)C3(CCOCC3)C2)c1 2174379137 LHGFPNKGLLAKLV-AWEZNQCLSA-N 470.576 4.321 50 10 JIGE COc1cc(C=C(C#N)C2=NN(c3ccccc3)[C@@H](N)[C@H]2C#N)ccc1OCc1cccc(C(=O)O)c1 2313564944 HLJFPZDMRNVKAB-WNCULLNHSA-N 493.523 4.180 50 10 JIGE CC(C)(C)OC(=O)N1C[C@H](OCc2cc(C(C)(F)F)ccn2)[C@H](I)C1 2327983599 PLVYETASSPQVGM-KGLIPLIRSA-N 468.282 4.133 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1CC[C@H]2[C@H](C1)[C@@H]2CBr 2340060608 DZQRDRITVZCADN-JLLWLGSASA-N 454.533 4.048 50 10 JIGE CC(C)[C@@H](CBr)N(C)S(=O)(=O)c1cc(Br)ccc1Br 2341388832 YKFHUEUUAFUKNB-LLVKDONJSA-N 478.044 4.252 50 10 JIGE O=S(=O)(N[C@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]12)c1ccc(CBr)cc1 2357092443 WVYIGFUSXDGBNJ-YHELAOLJSA-N 450.398 4.244 50 10 JIGE CCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc([C@@H](C)CC)cc1 14032439 IHKJHLOONMUPHB-KRWDZBQOSA-N 457.596 4.094 50 10 JIGE CCc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)NCCc2ccccc2)cc1 35131465 PTNLNGJJAIIAFC-PYCFMQQDSA-N 464.525 4.315 50 10 JIGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)c1 38650191 HFARKLCBTWYDRW-IZHWHUGBSA-N 460.461 4.425 50 10 JIGE CCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc([N+](=O)[O-])c1 38654196 ANYHQWAJZXPJAF-QHCPKHFHSA-N 457.442 4.431 50 10 JIGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4C)ccc32)c(OC)c1 38656848 HMFSOPKWALYNFX-AREMUKBSSA-N 472.497 4.215 50 10 JIGE COc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc1 39858569 STNFAECNEUQFLG-PEZBUJJGSA-N 456.433 4.180 50 10 JIGE O=C(NNc1ncnc(Nc2ccccc2C(F)(F)F)c1[N+](=O)[O-])c1ccc(Cl)c([N+](=O)[O-])c1 40588839 STKUDALOGLZZCO-UHFFFAOYSA-N 497.777 4.466 50 10 JIGE CN1C(=O)C(=NNC(=O)COc2c(Cl)cc(Cl)cc2Cl)c2cc(Br)ccc21 254876405 KORAMMUZGKLHLO-UHFFFAOYSA-N 491.556 4.285 50 10 JIGE Cn1ncc([C@H](Br)Cc2ccc(Br)cc2)c1I 379202105 IKMURKZVNQILOL-LLVKDONJSA-N 469.946 4.466 50 10 JIGE O=S(=O)(c1cc(CCl)sc1Br)N1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 687232141 UBLATMIXKUGRIP-GASCZTMLSA-N 475.861 4.287 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1CCSC[C@H]1CCBr 689277538 HJQIAOHFAYKILQ-SNVBAGLBSA-N 474.589 4.287 50 10 JIGE O=C(N[C@@H](CCl)CC(F)F)c1cc(I)ccc1Br 717761972 WYNZWTHWIKQTKP-SSDOTTSWSA-N 452.464 4.046 50 10 JIGE CCOc1ccc(C(=O)NNC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C4CC4)c23)cc1OC 727722902 LQHMZXAKIKQDIP-UHFFFAOYSA-N 490.491 4.388 50 10 JIGE CCOc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(SC)cc2)c2ccc(C)cc2)cc1 1084122653 WWSPXTHMHBKOCI-UHFFFAOYSA-N 497.642 4.461 50 10 JIGE O=C(NN=Cc1c(Cl)cccc1Cl)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1084377283 YGLQJIDYIVNWMO-UHFFFAOYSA-N 474.797 4.198 50 10 JIGE N#CCCn1cc(/C=C(/C#N)C(=O)NNC(=O)c2ccccc2Cl)c(-c2ccc(Cl)cc2)n1 1317814830 FYQFMIVDAKYWIH-VBKFSLOCSA-N 479.327 4.139 50 10 JIGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc(OC(F)(F)F)cc2Cl)cc1 1673231777 RNCOGJZSHAELTC-NSHDSACASA-N 459.808 4.061 50 10 JIGE COc1cc(Br)cc(C=NNC(=O)CSc2nc3ccccc3s2)c1O 1772718407 AFLXQMFCISAKRZ-UHFFFAOYSA-N 452.355 4.015 50 10 JIGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@@H](c2cccc(OC)c2O)C(C#N)=C(N)O3)cc1 1865683483 FPVGOFLBLQASEM-QHCPKHFHSA-N 496.523 4.489 50 10 JIGE C=CC[C@@H](CBr)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 1885070039 KZYPRFMCPYXEQM-QMMMGPOBSA-N 451.995 4.374 50 10 JIGE CC(C)[C@H](CI)NCc1cc(I)ccc1Cl 1905045602 XWDSGYKMEGNALA-LBPRGKRZSA-N 463.528 4.494 50 10 JIGE CC1(C)C[C@@H](Br)CN(S(=O)(=O)c2cc(Cl)c(Br)s2)C1 1923180811 CRFPRNRWKRLOEK-SSDOTTSWSA-N 451.633 4.348 50 10 JIGE CC(C)(C)OC(=O)N1CCC(CI)(OCCOCCC2CC2)CC1 2012320125 GBCHKMMWXAEWHC-UHFFFAOYSA-N 453.361 4.024 50 10 JIGE BrC[C@@H]1CC2(CC2)CN1c1ncc(I)cc1Br 2015758384 HCPCVMYKTGQDFW-VIFPVBQESA-N 471.962 4.203 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CCC[C@@H](Br)C1 2026220903 ICKPHLBMAHOJCX-SECBINFHSA-N 472.946 4.053 50 10 JIGE Oc1ccc(F)cc1Cn1nc(CBr)c(I)c1C(F)(F)F 2079245824 OWVYYBCESBOVII-UHFFFAOYSA-N 479.009 4.294 50 10 JIGE C[C@@H]1C[C@@H]1N(CCBr)C(=O)c1ccc(Br)cc1I 2086150195 XTWFYMCSQQLBOD-PELKAZGASA-N 486.973 4.299 50 10 JIGE CN1CCC[C@H]([C@H](Br)c2cc(Br)cc(Br)c2)S1(=O)=O 2089533441 ZCORIYQLGKSWKJ-VXGBXAGGSA-N 476.028 4.072 50 10 JIGE Brc1cccc(CC[C@@H](Br)CN2CCOCC2)c1Br 2099491612 BEJDOOTVHVNOKE-GFCCVEGCSA-N 456.016 4.240 50 10 JIGE C[C@H](Br)[C@H]1C[C@@H]1NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2125871774 VPRNCIMRFPKBJU-GYZLHAHLSA-N 451.995 4.206 50 10 JIGE O=C(N[C@@H]1CC[C@@H]2C[C@@]21CCl)c1ccc(Br)cc1I 2142278251 ALDVHFUPUQLMCR-IHPUGEDLSA-N 454.533 4.191 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@@H]2CC[C@]2(CCl)C1 2142283048 KZLNURFLTVFJFE-XPTSAGLGSA-N 454.533 4.145 50 10 JIGE CCN1CCC[C@H]([C@@H](Cl)c2cc(I)ccc2Br)S1(=O)=O 2145776823 XTBCJKOKEBEJDC-OLZOCXBDSA-N 492.604 4.148 50 10 JIGE Cc1cccc(C(=O)N2CC[C@@H](CBr)C(F)(F)C2)c1I 2146375524 OJCCZLLZMHVNEM-JTQLQIEISA-N 458.084 4.092 50 10 JIGE CN(Cc1ccccc1)[C@H]1CCN(S(=O)(=O)c2cc(Br)cc(CCl)c2F)C1 2152160670 XJDVNUHIUJLZMX-KRWDZBQOSA-N 475.811 4.222 50 10 JIGE CC(C)(CBr)[C@@H]1CCCN1C(=O)c1ccc(I)c(O)c1 2155823344 HFYCHOPJGTWTFN-ZDUSSCGKSA-N 452.130 4.023 50 10 JIGE Fc1ccc(-n2cnc3c(I)ncnc32)c(CBr)c1Cl 2177723891 LOHMSRYNPLRMDF-UHFFFAOYSA-N 467.467 4.108 50 10 JIGE Cc1sc(CBr)cc1S(=O)(=O)N1C[C@@H]2CN(Cc3ccccc3)CC[C@H]2C1 2179810268 CSJBWPQVEZEJJD-ROUUACIJSA-N 469.470 4.094 50 10 JIGE C[C@H](Br)C[C@H]1COCCN1C(=O)c1cc(Br)ccc1Br 2185319788 SGSCKZMWLOOYAE-ONGXEEELSA-N 469.999 4.226 50 10 JIGE CN(C[C@H]1C[C@@H](Br)C1)C(=O)CC[C@H](NC(=O)OCc1ccccc1)C(F)(F)F 2311275409 SQHGGMFBCSXTPW-XHSDSOJGSA-N 465.310 4.256 50 10 JIGE O=C(C=Cc1ccc(Cl)cc1)NC(=S)NNC(=O)c1ccccc1OCc1ccccc1 2313864642 XUDZKECJPBRLDA-UHFFFAOYSA-N 465.962 4.268 50 10 JIGE CCOC(=O)c1ccc(-c2ccc(C=C3C(=O)N(Cc4cccnc4)C(=O)C(C#N)=C3C)o2)cc1 2314618562 PPMVRWMQNAHLIW-UHFFFAOYSA-N 467.481 4.311 50 10 JIGE Cc1nc(I)c(I)n1-c1ncc2c(c1CCl)CCC2 2337568826 GTHQPIHMCHSOTR-UHFFFAOYSA-N 499.521 4.012 50 10 JIGE C[C@@H](NCc1ccc(I)c(Br)c1)c1nnc(CCl)s1 2349853755 JITJYJWMXNUNJV-SSDOTTSWSA-N 472.577 4.495 50 10 JIGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)[C@H]1[C@H]2CS(=O)(=O)C[C@H]21 2365191254 MKWAXTIBYKLRSR-SSDHTEECSA-N 491.014 4.386 50 10 JIGE COc1ccc(/C=N/NC(=O)CSc2nc(=O)c3c(-c4ccc(C)cc4)csc3[nH]2)cc1 1290428 VRTULLKCJVWYJT-BHGWPJFGSA-N 464.572 4.211 50 10 JIGE CCOc1ccccc1C=NNC(=O)CSc1nnc(CCCc2ccc(OC)c(C)c2)o1 8451739 ZTDGRRBPNSTDBP-UHFFFAOYSA-N 468.579 4.203 50 10 JIGE CC(C)c1ccc(O[C@H](C)C(=O)NNC(=O)COc2ccc(Br)cc2Cl)cc1 14040268 PGPFSFWIHDDQEC-CYBMUJFWSA-N 469.763 4.220 50 10 JIGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc32)cc1OC 38659685 UYAUEILXJKXKGW-XMMPIXPASA-N 487.468 4.439 50 10 JIGE Cc1ccc(C(=O)NNc2ncnc(N3CCN(C(c4ccccc4)c4ccccc4)CC3)c2N)cc1 40729914 LYPZGBFGIQPLRB-UHFFFAOYSA-N 493.615 4.036 50 10 JIGE O=S1(=O)CC[C@@H](C(CBr)(CBr)Cc2cc(Br)cs2)C1 118669460 FFDCJRPXVBKMAX-SECBINFHSA-N 495.096 4.264 50 10 JIGE CCOc1c(OC)cc(/C=N\NC(=O)c2ccc3[nH]c(Cc4ccccc4)nc3c2)cc1OC 169925686 JKVLOMUFCNBFKU-YUMHPJSZSA-N 458.518 4.334 50 10 JIGE O=C(N[C@H]1CCC[C@@H]1Br)c1cc(Br)ccc1I 232462979 REPYABQTGBTCFM-ONGXEEELSA-N 472.946 4.100 50 10 JIGE COc1ccc(C(=O)Oc2cc(C=NNC(=O)c3ccccc3-n3cccc3)ccc2OC)cc1 252613770 JDZJPWWEJCVTPP-UHFFFAOYSA-N 469.497 4.478 50 10 JIGE Nc1cccc(F)c1[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CI 382720198 MWIBOWBRWFPBBV-LSDHHAIUSA-N 454.283 4.195 50 10 JIGE Cc1occc1C(=O)NC1CCN(C(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(F)cc3)c2C)CC1 727333431 UYCAHRUFFAWRDE-QNGOZBTKSA-N 474.536 4.463 50 10 JIGE C[C@H](OC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1)C(=O)NCc1ccccc1Cl 729344117 BDKWJPRHNFGFNG-SXZORUHJSA-N 487.947 4.272 50 10 JIGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)NN=C(C)c1ccccc1O 1083894257 VZXQIMYJTVLSPO-MRXNPFEDSA-N 485.013 4.456 50 10 JIGE Cc1nc2ccc(Cl)cn2c1C(=O)NN=Cc1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1 1084519906 XPDQXENGJBKXLK-QGZVFWFLSA-N 489.963 4.316 50 10 JIGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(Oc3ccc(F)cc3)cc2)cc1 1467317993 HJSJTMOXZVJWAS-MRXNPFEDSA-N 451.454 4.441 50 10 JIGE CCCOc1ccc([C@@H](CC(=O)O)NC(=O)/C(C#N)=C/c2ccc(Br)cc2)cc1OC 1866128453 SMJSXDLZSYSFFZ-GTENMVSRSA-N 487.350 4.486 50 10 JIGE BrC[C@H](C1CC1)N(Cc1ccccc1)c1ncc(I)cn1 1915164192 GVUAXAWSGYCELG-OAHLLOKOSA-N 458.141 4.261 50 10 JIGE O=C(N[C@H](CBr)C[C@@H]1CCCO1)c1cc(Br)c(Br)s1 1926780720 LOZRCGHYWGUMCP-YUMQZZPRSA-N 476.028 4.336 50 10 JIGE O=C(CCl)c1ccc(Br)c(I)c1I 2059980298 HCQNPOUIZRHRJA-UHFFFAOYSA-N 485.284 4.080 50 10 JIGE Cc1cc(F)nc(-n2nc(CBr)c(I)c2C(F)(F)F)c1 2078925794 BDDVLLQUNSVRLN-UHFFFAOYSA-N 463.998 4.233 50 10 JIGE Cc1cc(Br)c(C)c([C@H](Br)C2CS(=O)(=O)C2)c1Br 2081058679 GLQAALCKJXADGJ-GFCCVEGCSA-N 461.013 4.309 50 10 JIGE C#CC[C@](C)(CCl)CNC(=O)c1cc(Br)ccc1I 2140724230 GJPMWFXGIZKXSF-CQSZACIVSA-N 454.533 4.052 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CC[C@]12C[C@@H](CCl)C2 2142278722 HBIXWIJWZDRAPB-KMHCFJFGSA-N 454.533 4.287 50 10 JIGE CN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(CCl)c(Br)c1 2144841255 HHRRHOLVMRWZLP-UHFFFAOYSA-N 471.848 4.473 50 10 JIGE CC[C@H](Br)[C@@H]1CCCCN1C(=O)Cc1ccccc1I 2170600370 LLQXKIGJPHWFLV-ZFWWWQNUSA-N 450.158 4.388 50 10 JIGE C[C@H]1CN(Cc2ccccc2)CCN(S(=O)(=O)c2ccc(CBr)cc2Cl)C1 2179792981 NCGDLAMQLVWCSI-INIZCTEOSA-N 471.848 4.378 50 10 JIGE O=C(Cc1ccccc1I)N1CCCC[C@@H]1CCCBr 2206650751 HGEVXFMQLJIDNN-CQSZACIVSA-N 450.158 4.390 50 10 JIGE CC[C@@H]1[C@@H](Br)CCN1c1ncc(I)cc1Br 2245105752 CFWZYLYUPPBYIF-WCBMZHEXSA-N 459.951 4.201 50 10 JIGE CC[C@@H]1[C@H](Br)CCN1S(=O)(=O)c1cc(Br)c(C)cc1Br 2288910293 PHTAMSAZLJYMNC-BXKDBHETSA-N 490.055 4.457 50 10 JIGE O=C(COc1ccc(Cl)cc1I)NN=Cc1ccc(Br)cc1 2297708094 DJUONZNVJLQYBX-UHFFFAOYSA-N 493.526 4.236 50 10 JIGE CCN(C[C@](C)(CI)OC[C@@H]1CCC[C@H](C)O1)C(=O)OC(C)(C)C 2301102301 IHXSDVZDLDJDBB-MPGHIAIKSA-N 455.377 4.411 50 10 JIGE C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)NN=Cc4ccc(F)c(Br)c4)c(=O)c23)C1 2325903263 NAEVGDIDJBOUDG-NWDGAFQWSA-N 491.386 4.196 50 10 JIGE COC(=O)c1c(NC(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)sc(C(C)=CC#N)c1C 2331557521 FQPKEXDXRAOULW-UHFFFAOYSA-N 453.564 4.436 50 10 JIGE Cn1cc(I)c(C[C@H](CCl)Cc2ccccc2Br)n1 2341763839 YTVGCJOMEOSRLQ-SNVBAGLBSA-N 453.549 4.427 50 10 JIGE CC1(C)CN(Cc2ccc(I)c(Br)c2)C[C@@H](CCl)O1 2349826029 DHZISYPYKAXZQP-LLVKDONJSA-N 458.565 4.272 50 10 JIGE COc1cc(Cl)cc(CBr)c1OCc1nn(C)cc1I 2367607440 NFYYYMLQUNVFRR-UHFFFAOYSA-N 471.520 4.161 50 10 JIGE Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)S(=O)(=O)c2ccccc2)c(C)c1 2425195 AIHKRIFWQGANHJ-HKWRFOASSA-N 457.511 4.442 50 10 JIGE Cc1cc(OCC(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)ccc1Cl 12403475 XBUACWADMMICHB-UHFFFAOYSA-N 483.790 4.314 50 10 JIGE Cc1ccc(OCC(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)c(Br)c1 12582064 HYPVSOWQAHZLAG-UHFFFAOYSA-N 490.181 4.450 50 10 JIGE COc1cc(/C=C2/C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 38608940 VIDJTCHRPADNMX-OEAKJJBVSA-N 488.540 4.128 50 10 JIGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(F)cc4)ccc32)cc1OC 38658383 PZAHBXDBTLQWEX-RUZDIDTESA-N 476.460 4.045 50 10 JIGE Nc1c(NNC(=O)c2ccc(F)cc2)ncnc1Oc1ccc(Br)c2cccnc12 40784614 RDZSUSHZLMPOFU-UHFFFAOYSA-N 469.274 4.058 50 10 JIGE COc1ccc(CCNC(=O)/C(C#N)=C2/N=C(NC(=O)c3ccccc3Cl)c3ccccc32)cc1 102673700 PNZUBHJXVOXWOL-ZNTNEXAZSA-N 484.943 4.132 50 10 JIGE Cc1ccc(CN/C=C(/C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 216494817 AWKISFDYYDVXAH-QYQHSDTDSA-N 450.586 4.426 50 10 JIGE CN(C(=O)c1cc(I)ccc1Br)C(C)(C)CBr 234261456 MESUMAQEIKDRGY-UHFFFAOYSA-N 474.962 4.299 50 10 JIGE CC(C)OP(=O)(OC(C)C)C(C=NNC(=O)c1ccccc1)=NNC(=O)c1ccccc1 252614954 JOCDPJMMKOZPSA-UHFFFAOYSA-N 458.455 4.189 50 10 JIGE Cc1ccc(COc2ccc(C=NNC(=O)Cn3cnc4sc5c(c4c3=O)CCCC5)cc2)cc1 254550500 QRKVYMHFSJICTH-UHFFFAOYSA-N 486.597 4.375 50 10 JIGE C=CCn1c(S[C@H](C)C(=O)NN=Cc2ccc3c(c2)OCO3)nnc1-c1ccc(Cl)cc1 254699988 VNVIMYFEKKZMSA-CQSZACIVSA-N 469.954 4.144 50 10 JIGE CCc1ccc(NC(=O)C(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(C)cc2)cc1 254818212 ABHHYMAXYLAYSI-UHFFFAOYSA-N 451.530 4.499 50 10 JIGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2ccc([N+](=O)[O-])cc2)C1 382698400 YTOVLPRRPCDSCY-WMZOPIPTSA-N 466.275 4.382 50 10 JIGE Cc1cccc(N)c1[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CI 382726830 QYVUYEWUKGZQEU-IRXDYDNUSA-N 450.320 4.364 50 10 JIGE C[C@@H]1C[C@H](Br)CN1S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 385267741 RTRUSBYFIVLBPV-SVRRBLITSA-N 451.995 4.302 50 10 JIGE Cn1cc([C@H](Cl)c2cc(I)cc3c2OCC3)nc1Br 698451305 QKLJMZPWGNIWMT-LLVKDONJSA-N 453.505 4.050 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N(C)C[C@H](Br)C2CC2)cc1Br 708506442 LMKNHSASPWKGAN-LBPRGKRZSA-N 490.055 4.314 50 10 JIGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1CCS[C@H](CBr)C1 720045024 MEYWFKLNYCYSRK-MRVPVSSYSA-N 484.062 4.257 50 10 JIGE O=C(NNC(=O)c1ccccc1OCc1ccc(F)cc1)N[C@@H](c1ccccc1)[C@@H]1CCCO1 726711431 GHJPFSRIGQXVBV-ZEQRLZLVSA-N 463.509 4.269 50 10 JIGE CC(=O)N1CCCc2cc(NC(=O)/C(C#N)=C/c3cn(CCC#N)nc3-c3ccccc3)ccc21 749228413 BRIUTONTNQCWCH-PXLXIMEGSA-N 464.529 4.309 50 10 JIGE COc1ccccc1C1(CNC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)CC1 749635366 COMWRSHICFJWOL-LTGZKZEYSA-N 451.530 4.227 50 10 JIGE C[C@H](Sc1ccccn1)C(=O)NN=C1C(=O)N(Cc2ccccc2Cl)c2ccccc21 1084047275 JQXFSOYJVVQSSN-HNNXBMFYSA-N 450.951 4.283 50 10 JIGE COc1ccc(C=NNC(=O)CCCSc2nc3ccc([N+](=O)[O-])cc3s2)cc1OC 1084108022 NOYXHFKMHPFLMU-UHFFFAOYSA-N 460.537 4.244 50 10 JIGE C/C(=C/c1cccc(Cl)c1)C(=O)NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 1463685583 UKHSYNZUIJKHGU-ICFOKQHNSA-N 457.921 4.452 50 10 JIGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@H](c2cc(F)ccc2[N+](=O)[O-])C1 1614691314 BQNVZDMOKBTMMG-ZWNOBZJWSA-N 450.248 4.119 50 10 JIGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)ccc1O 1865681117 FJIVHVUWEJZNQM-SFHVURJKSA-N 474.414 4.412 50 10 JIGE Cc1nc(-c2ccc(Cl)cc2)ccc1C(=O)NNC(=O)c1ccccc1I 1865755943 YCQNAUCLMAQSIA-UHFFFAOYSA-N 491.716 4.390 50 10 JIGE COCCOc1ccc(/C=C(\C#N)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1866213998 NDYBQCBTCZDGGY-SBICLSTASA-N 476.621 4.028 50 10 JIGE CCCOc1c(OC)cc(/C=C(\C#N)c2nc(O)c3cc(OC)c(OC)cc3n2)cc1OC 1872727450 BMHKRYZERHKQAJ-OVCLIPMQSA-N 451.479 4.223 50 10 JIGE CSCC[C@H](Br)CCNC(=O)c1cccc(C)c1I 2090383917 DAXDDLDNHTWHKR-LLVKDONJSA-N 456.187 4.236 50 10 JIGE O=S(=O)(C[C@@H](Cl)c1csc(Br)c1Br)N1CCCCC1 2093941696 AGUYETCLMGZZPR-SECBINFHSA-N 451.633 4.369 50 10 JIGE CN(C)C[C@@H]1C[C@@H](Br)CN1Cc1c(Br)cccc1Br 2122367595 HNJOJHFSJNINNO-MNOVXSKESA-N 455.032 4.111 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@@H](CCl)C2(CC2)C1 2142280005 XTPIMCIIEVQETD-SECBINFHSA-N 454.533 4.145 50 10 JIGE CC(C)[C@@H](C)[C@H](CNS(=O)(=O)c1ccc(CBr)cc1)NC(=O)OC(C)(C)C 2162588692 ISXOATIICHSIQT-PBHICJAKSA-N 463.438 4.045 50 10 JIGE C[C@H]1CN(C(=O)c2c(Br)cccc2Br)C[C@@H](CCBr)O1 2179382581 JSXYILJPAILVDN-VHSXEESVSA-N 469.999 4.226 50 10 JIGE CC1=C(Br)CN(S(=O)(=O)c2cc(CBr)ccc2Br)CC1 2179857633 CBKJALJSDIIVQM-UHFFFAOYSA-N 488.039 4.407 50 10 JIGE O=C(N[C@H](CBr)CC(F)F)c1ccc(Cl)c(I)c1 2256386623 OUPGOEQODHSSLH-ZETCQYMHSA-N 452.464 4.093 50 10 JIGE Clc1ccc(C[C@]23CO[C@](CI)(C2)C3)cc1I 2300269212 GJQNZOWCCLKDMO-BETUJISGSA-N 474.507 4.471 50 10 JIGE O=C(c1cc(Br)sc1Br)N1CC[C@H]2[C@H](CBr)[C@H]2C1 2311905612 IAMAZYQAZHOVKF-XVYDVKMFSA-N 458.013 4.376 50 10 JIGE CCOc1ccc(C=CC(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 2313890599 RKLHLWWUGZZBCZ-UHFFFAOYSA-N 475.383 4.385 50 10 JIGE COc1ccccc1Oc1nc2ccccn2c(=O)c1C=C(C#N)C(=O)Nc1ccccc1C 2314531441 BBVUUFFUKGQNIT-UHFFFAOYSA-N 452.470 4.350 50 10 JIGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OCCOC)cc2)sc2c1CCCC2 2331123661 CIPPNYUOWJCCSA-UHFFFAOYSA-N 454.548 4.374 50 10 JIGE CC[C@@]1(CBr)COCCN1Cc1ccc(Cl)c(I)c1 2337229147 FMLUNYGTAKTQOI-CQSZACIVSA-N 458.565 4.321 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@]12CC[S@@](=O)(=NC[C@@]1(CBr)CC1(F)F)C2 2351886049 SSSVHRNTKQFSTR-DBFUXIHBSA-N 457.381 4.048 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N[C@@H]1C[C@@H]2C[C@H]1C[C@@H]2Br 2360163678 LKOHEMFULHBEBX-TXFQPVFDSA-N 466.011 4.432 50 10 JIGE CC(C)c1ccc(OCC(=O)NNC(=O)c2ccccc2Br)c(Br)c1 12580308 QWHSQVLLDNIHCK-UHFFFAOYSA-N 470.161 4.175 50 10 JIGE CC[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)c1ccc(NC(=O)C2CC2)cc1 14768749 HTEKZPQDRWSMSO-XMMPIXPASA-N 457.530 4.321 50 10 JIGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)NCCc2ccccc2)cc1 33746878 CTGDZDKNPNLYCR-XLNRJJMWSA-N 464.525 4.370 50 10 JIGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)c1 38701187 XMAHMJOJIMKLRL-LOSJGSFVSA-N 470.481 4.049 50 10 JIGE COc1ccc(C(=O)NNC(=O)c2ccc(N3CCc4cc5ccc(OC)cc5nc43)cc2)cc1 39881721 SFFHUMATVOWDLG-UHFFFAOYSA-N 468.513 4.021 50 10 JIGE O=C(Cc1ccc([N+](=O)[O-])cc1)NNc1ncnc(Nc2cc(Cl)ccc2Cl)c1[N+](=O)[O-] 40646594 VHUZWAJTBCGJAO-UHFFFAOYSA-N 478.252 4.029 50 10 JIGE CCOC(=O)c1ccccc1Nc1ncnc(NNC(=O)C(c2ccccc2)c2ccccc2)c1N 40794993 BGKLBJBPMGQSKS-UHFFFAOYSA-N 482.544 4.254 50 10 JIGE C=CCOc1ccc(Br)cc1C(=O)NN=Cc1cc(Br)ccc1O 254507174 CASVNEIKLMYNRE-UHFFFAOYSA-N 454.118 4.246 50 10 JIGE C=CCc1cccc(C=NNC(=O)CCCCCCC(=O)NN=Cc2cccc(CC=C)c2O)c1O 254846053 IAEUKWVPCJCUMS-UHFFFAOYSA-N 490.604 4.496 50 10 JIGE CCN1CC[C@H](CNC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)C1 730936541 MDUMWIBMUWDCJI-BAOGCXAUSA-N 455.400 4.222 50 10 JIGE Cc1cc(C=NNC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)c(C)n1-c1ccc(Cl)cc1 1083990540 AODORJXFLNFCMJ-UHFFFAOYSA-N 493.416 4.317 50 10 JIGE Cc1cc(C=NNC(=O)COc2cccc3ccccc23)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 1084387118 CRAXSEHEQKRGOL-UHFFFAOYSA-N 485.496 4.173 50 10 JIGE COc1ccc(CCC(=O)NN=Cc2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c(O)c1 1084616729 IDDHFQKGXDQRFT-UHFFFAOYSA-N 480.433 4.092 50 10 JIGE COc1cccc(OC)c1[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CI 1614625183 XEQCFIYRIOBODO-DLBZAZTESA-N 481.330 4.491 50 10 JIGE O=C(N[C@H](CSC[C@H]1C[C@H]1Br)C(=O)O)OCC1c2ccccc2-c2ccccc21 1881366106 LELIJQGYTGSLAN-SMHULIPUSA-N 476.392 4.495 50 10 JIGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC1CC(Br)C1 1888845718 NBNAIKSDGMOFHG-ZGDBYOLNSA-N 457.368 4.346 50 10 JIGE C[C@H]1[C@H](Br)CCN1Cc1ccc(I)c(Br)c1 1904343815 MRJQUINMQHEVST-WCBMZHEXSA-N 458.963 4.411 50 10 JIGE COC(=O)[C@H](Br)Cc1cc(Br)c(Br)c(Br)c1 1938595828 GMZSDKRIHJAOSL-MRVPVSSYSA-N 479.788 4.453 50 10 JIGE C[C@H](NCCSSCCNC(=O)OC(C)(C)C)[C@@H]1[C@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 1985350502 REMJACVDPUUXEQ-MWDXBVQZSA-N 461.694 4.126 50 10 JIGE BrC[C@@H]1CN(c2ncc(I)cc2Br)CC12CC2 2015761969 FHHQEQZXFNERJW-MRVPVSSYSA-N 471.962 4.060 50 10 JIGE O=C(N[C@@H]1C[C@H](CBr)[C@@H]2C[C@H]12)c1cc(Br)c(Br)s1 2048003883 BOHHFUZBMIEUGW-UTSKPXGSSA-N 458.013 4.422 50 10 JIGE CCN(C[C@](C)(CI)O[C@H]1C[C@H](n2ccnc2)C1)C(=O)OC(C)(C)C 2063757827 MDTCLFYPVFWJGJ-MPGHIAIKSA-N 463.360 4.054 50 10 JIGE FC(F)(CCl)[C@H]1CCN(c2ncc(I)cc2Br)C1 2077100429 HWQFWEQYOUDGMO-ZETCQYMHSA-N 451.480 4.149 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@H]2[C@H](Br)CC[C@H]2C1 2087937620 QZQHSPZTESMJHK-RLCGTCKNSA-N 498.984 4.299 50 10 JIGE O=C(N[C@H]1C[C@H]2C[C@H]1C[C@@H]2Cl)c1ccc(I)c(Br)c1 2104409480 YEZNDRCAXWLBBK-KOVQTIFSSA-N 454.533 4.189 50 10 JIGE CCCN1CC[C@@H]([C@H](Cl)c2ccc(I)c(Br)c2)S1(=O)=O 2145782739 XGTTVEMGUQAZHB-QWHCGFSZSA-N 492.604 4.148 50 10 JIGE CN(C[C@@H]1CCCCS1)S(=O)(=O)c1cc(CBr)sc1Br 2179792794 KTUYFPFVEMREQH-VIFPVBQESA-N 463.282 4.312 50 10 JIGE O=C(c1cc(Br)cc(C(F)(F)F)c1)N1C[C@@H](Br)[C@H](Br)C1 2196128824 AMYRLGQOAWGEGA-NXEZZACHSA-N 479.916 4.451 50 10 JIGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1C[C@@H]2C[C@@H]2[C@H]1CBr 2199023083 LAJIVUHNFTXZDY-GEOGLEFRSA-N 464.006 4.160 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CC[C@H](CCl)C(F)(F)C1 2207260726 HLAIPBUNUABXJB-MRVPVSSYSA-N 478.502 4.390 50 10 JIGE CCN(C[C@@](C)(CI)OC1(C2CCC2)COC1)C(=O)OC(C)(C)C 2250827102 XJQKLEJNNKXLCB-QGZVFWFLSA-N 453.361 4.023 50 10 JIGE COc1cccc(C=NNC(=O)c2cc(-c3ccccc3)nc(O)n2)c1OCc1ccccc1 2323693389 MIXDGNGAMAIXAR-UHFFFAOYSA-N 454.486 4.201 50 10 JIGE CCOc1cc(C=NNC(=O)CCCCCNC(=O)OC(C)(C)C)cc(Br)c1O 2328835195 CVOOMMNBJUMEKV-UHFFFAOYSA-N 472.380 4.089 50 10 JIGE C/C(CC(=O)N(C(C)C)C(C)C)=N\NC(=O)COc1ccc(Br)cc1Br 6190534 JGMQGUHZNMECOW-FYJGNVAPSA-N 491.224 4.118 50 10 JIGE CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(-c3ccccc3)cc2)cc1 14037294 VAOOONCLSSHCSV-UHFFFAOYSA-N 491.613 4.493 50 10 JIGE Cc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)NC3CC(C)(C)NC(C)(C)C3)c(C)c21 40811564 HQMIZTBZYZGMJJ-ZTKZIYFRSA-N 464.610 4.406 50 10 JIGE C/C(=N/NC(=O)c1ccccc1OCC(=O)Nc1ccc(Br)cc1)c1ccncc1 95950572 HQAUMCQETMSQMX-YSMPRRRNSA-N 467.323 4.016 50 10 JIGE Cc1cccc(Cn2cccc(C(=O)NNC(=O)c3ccc(-c4ccc(F)cc4)s3)c2=O)c1 109108392 VFLHBYCLLIAYSL-UHFFFAOYSA-N 461.518 4.147 50 10 JIGE O=C(c1ccc(F)cc1I)N(CCBr)Cc1ccccc1 236256242 OHHCAYUDYDNWQI-UHFFFAOYSA-N 462.100 4.468 50 10 JIGE CCCCOc1ccc(C(=O)NCC(=O)NN=Cc2ccc(OC(=O)c3ccccc3C)cc2)cc1 254398358 BIIFPQYFPPVJFO-UHFFFAOYSA-N 487.556 4.273 50 10 JIGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CCC(F)(F)[C@H](CBr)C1 403909933 OMEVLWNEDDSWJS-ZCFIWIBFSA-N 473.586 4.205 50 10 JIGE COC[C@@](C)(CBr)N(C)C(=O)c1cc(Br)c(Br)s1 689261773 SLLBTHPBFQBPBI-LLVKDONJSA-N 464.017 4.145 50 10 JIGE O=C(NC[C@H](Br)C1CCC1)c1ccc(I)c(Br)c1 721601820 HJBUPFPRXIWVOA-NSHDSACASA-N 486.973 4.347 50 10 JIGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(C)n(-c3ccc(C(=O)O)cc3C)c2C)cc1 725410773 IBQBTVFRPRWFPX-VWLOTQADSA-N 477.561 4.463 50 10 JIGE Cc1ccc([C@@H](CNC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)N2CCCC2)o1 725743852 DDUJSYDMNNJWKW-FVIVVMBBSA-N 468.561 4.225 50 10 JIGE O=C(NCc1ccccc1-c1ccc(Cn2cccn2)cc1)NNC(=O)c1cccc2cccnc12 727227265 COEPRDNCKHVNJJ-UHFFFAOYSA-N 476.540 4.291 50 10 JIGE Cc1occc1C(=O)NC1CCN(C(=O)/C(C#N)=C\c2cc(C)n(CCC(C)C)c2C)CC1 727332210 CPDGXSLYINWGGL-JCMHNJIXSA-N 450.583 4.380 50 10 JIGE CC(=O)N(CCC(=O)NNC(=O)Nc1c(Cl)cc(Cl)cc1Cl)Cc1ccccc1 1138923211 JTLVIGKFKDFDKA-UHFFFAOYSA-N 457.745 4.238 50 10 JIGE Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccccc2C(=O)O)cc1 1865704238 QZRXHBVCTUNXNE-KRWDZBQOSA-N 454.408 4.175 50 10 JIGE Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865715095 VYYFUTXOFJNNEW-SFHVURJKSA-N 458.261 4.320 50 10 JIGE COc1ccc(-c2nc(CC(=O)NC(C)(C)C(=O)Nc3ccc(SC#N)cc3)c(C)o2)cc1 1866675435 JEMWPNZIYHAWFX-UHFFFAOYSA-N 464.547 4.308 50 10 JIGE O=C(NNc1ccccn1)[C@H]1CCCN(C(=O)CCCOc2ccc(Cl)cc2Br)C1 1873777785 RSLUDHJOMNNFOL-HNNXBMFYSA-N 495.805 4.038 50 10 JIGE CCCOc1c(OC)cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1OC 1873794819 BZWNRALHYAPWQR-KKMLCIJBSA-N 485.581 4.079 50 10 JIGE O=C(c1cccc(F)c1I)N1CC[C@]2(CCC[C@H]2Br)C1 1918932651 BOJRZCOMOZAKRS-IUODEOHRSA-N 452.105 4.210 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H](Br)CC2(CC2)C1 1925959752 ZJTQHQJFYITXKU-JTQLQIEISA-N 498.984 4.443 50 10 JIGE COCC1(CO[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2I)CCCCC1 1945637492 QOXOVYXGEWGPTR-GJZGRUSLSA-N 453.361 4.023 50 10 JIGE COC(=O)c1ccc(COc2ccc(C=C(C#N)c3nnc4n3CCCCC4)cc2OC)cc1 2040446801 LOHAVKDOPXBYRR-UHFFFAOYSA-N 458.518 4.443 50 10 JIGE C[C@@H]1C[C@H]1N(CCBr)C(=O)c1cc(I)ccc1Br 2048205481 OUHXHSAMGWRPRF-PRHODGIISA-N 486.973 4.299 50 10 JIGE Cc1c(Br)sc([C@@H](Br)[C@H]2[C@H]3CS(=O)(=O)C[C@H]32)c1Br 2054226819 MRQCSTHJTDMVHH-XQXXSGGOSA-N 479.053 4.308 50 10 JIGE CC1(C)[C@@H](CBr)CCN1S(=O)(=O)c1cc(Cl)c(Br)s1 2095206267 BKDZRXBVVLXVLS-SSDOTTSWSA-N 451.633 4.348 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1C[C@@H]2C[C@H](C[C@H]2Br)C1 2107292475 JHSCGMWDGSZGAV-VDDIYKPWSA-N 454.533 4.190 50 10 JIGE CC1CC(CCl)(CNC(=O)c2ccc(I)c(Br)c2)C1 2128727456 FHZWMCOAGWHWAQ-UHFFFAOYSA-N 456.549 4.439 50 10 JIGE FC(F)(F)c1cnc(N2CC[C@H]3[C@H](C2)[C@@H]3CBr)c(I)c1 2149545928 MZJFYQNJFOWHMW-BBBLOLIVSA-N 461.063 4.172 50 10 JIGE CN(C[C@@H](Br)C1CCCCC1)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2167655476 HKAKASVKWDKUBA-HXUWFJFHSA-N 499.471 4.058 50 10 JIGE Cc1cc(S(=O)(=O)N2CC[C@]3(CCN(Cc4ccccc4)C3)C2)sc1CBr 2179825132 DELWDWGLUZLPLV-FQEVSTJZSA-N 469.470 4.238 50 10 JIGE O=S(=O)(c1ccsc1CBr)N1CC[C@]2(CCCN(Cc3ccccc3)C2)C1 2179869527 ZADFRQUPPUMHHY-FQEVSTJZSA-N 469.470 4.320 50 10 JIGE O=S(=O)(c1ccc(Cl)c(CBr)c1)N1C[C@@H]2CCN(Cc3ccccc3)[C@H]2C1 2188885690 NOBVUHCTAAJUOZ-JXFKEZNVSA-N 469.832 4.130 50 10 JIGE C[C@@H]1[C@H](O[C@@H](CI)c2ccc(Br)cc2)C2CCN1CC2 2198012571 QEZLOIKOQUIPRD-RLCCDNCMSA-N 450.158 4.425 50 10 JIGE O=C(N[C@H]1COC2(CCC2)[C@H]1Br)c1cccc(Br)c1Br 2206469914 BZPNTVYATSKQRA-JQWIXIFHSA-N 467.983 4.026 50 10 JIGE Cc1ccc(I)c(C(=O)N[C@@H]([C@@H](C)Br)C(F)(F)F)c1 2232167772 VSMGAKNTENDHNA-XCBNKYQSSA-N 450.036 4.044 50 10 JIGE O=S(=O)(c1cc(CCl)oc1Br)N1[C@H]2CCC[C@@H]1CN(Cc1ccccc1)C2 2234688859 DPBJLIFZYCBXFH-IYBDPMFKSA-N 473.820 4.209 50 10 JIGE CC(C)(C)OC(=O)N[C@@H]1CCN(CCCCI)[C@@H](C(F)(F)F)C1 2243586784 VTHGEXWSMNTPPV-VXGBXAGGSA-N 450.283 4.122 50 10 JIGE CN(Cc1ccccc1I)S(=O)(=O)c1ccc(CBr)s1 2280336762 SRNVWEAMDQAUES-UHFFFAOYSA-N 486.194 4.068 50 10 JIGE CCOc1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCCCn2ccnc2)c1 2297467150 YAXDAAMWLQEQSH-UHFFFAOYSA-N 466.545 4.248 50 10 JIGE CNC(=O)C(C#N)=C1S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(OC)cc1 2314593727 RZLICCMTHWMCAD-SFHVURJKSA-N 462.358 4.174 50 10 JIGE N#CC(=CNCCc1cccc(Br)c1)C(=O)N1CCC(Cc2ccccc2)CC1 2324765499 HMIVMNGQWXJJFP-UHFFFAOYSA-N 452.396 4.470 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1C[C@H]2CC(Br)C[C@@H]2C1 2340056571 GERMKDVQYPHHIK-RKDXNWHRSA-N 454.533 4.190 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1C[C@H](Br)CC2(CC2)C1 2340064864 IGVWAGPSNZODLT-SECBINFHSA-N 454.533 4.334 50 10 JIGE CC1(C)OCCN(Cc2ccc(Cl)cc2I)[C@H]1CBr 2341050077 MXIWTTLLZFDVBP-ZDUSSCGKSA-N 458.565 4.319 50 10 JIGE COCCO[C@@H]1[C@@H](Br)C[C@H]1OCc1cc(Br)cc(Br)c1 2362240187 OHAFTTOVGLEYOG-BFHYXJOUSA-N 472.999 4.296 50 10 JIGE Cc1ccc(N(C)Cc2c(Br)c(Br)nn2C)c(CBr)n1 2364335358 FIHRCIFQPWVBBF-UHFFFAOYSA-N 467.003 4.180 50 10 JIGE COCCO[C@@H]1[C@@H](Br)C[C@@H]1OCc1cc(I)ccc1Cl 2380342379 GOBFKBQRPSHYHK-FPMFFAJLSA-N 475.548 4.029 50 10 JIGE CC(C)COc1ccc(C(=O)NNC(=O)COc2ccccc2C(C)C)cc1Br 14652873 VZBLMFQLBLRKNF-UHFFFAOYSA-N 463.372 4.447 50 10 JIGE CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(\C)NNC(=O)c1cc(OC)cc(OC)c1 20286942 OBMYYGOISNKKLT-KGENOOAVSA-N 479.562 4.025 50 10 JIGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)c1 38650192 HFARKLCBTWYDRW-OYLFLEFRSA-N 460.461 4.425 50 10 JIGE COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NC[C@H](O)c3ccc(F)c(F)c3)c2C)cc1 58218511 JUDOZHZZEBTKPX-AYUSBESLSA-N 451.473 4.138 50 10 JIGE CCCOc1ccc([C@@H](C(=O)NC2CCCCC2)N(CCCOCC)C(=O)CCl)cc1OC 97914602 HTXQYZKGGUTMGN-DEOSSOPVSA-N 483.049 4.468 50 10 JIGE O=C(N/N=C1/C(=O)N(Cc2cccc([N+](=O)[O-])c2)c2ccccc21)c1cc2ccccc2cc1O 104008493 SDSZXOTXZSTSSE-SOYKGTTHSA-N 466.453 4.135 50 10 JIGE COc1ccc(C=NNC(=O)CSc2nc3ccccc3n2Cc2ccccc2)c(OC)c1 254494263 LYGBNMAMMRCIAT-UHFFFAOYSA-N 460.559 4.344 50 10 JIGE C[C@@H]1CN(S(=O)(=O)c2cc(CCl)sc2Br)CCN1Cc1ccccc1 396351079 FTFYISGOZZTFCR-CYBMUJFWSA-N 463.850 4.144 50 10 JIGE CC(C)c1nc(CCNC(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)cs1 726717064 KNTLIDHHVGDPKT-UHFFFAOYSA-N 456.543 4.171 50 10 JIGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OC)c(OCC)c2)cc1 1084102526 ORIFLOHMWSMZST-IBGZPJMESA-N 479.371 4.219 50 10 JIGE CCOc1ccccc1NC(=O)C(=O)NN=Cc1cc(C)n(-c2cccc(Br)c2)c1C 1084182428 DMGYAWMJKNLPMH-UHFFFAOYSA-N 483.366 4.344 50 10 JIGE CC(=O)c1cc(C(=O)NNC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)c(C)nc1C 1351634955 KOQUECNSKJDMPR-UHFFFAOYSA-N 452.514 4.499 50 10 JIGE C#CCCN(CCOC)C(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(Br)cc2)c1C 1588075262 XRXLWQLEELGLBY-HMMYKYKNSA-N 454.368 4.262 50 10 JIGE C=CCOc1ccc(CC(=O)NNc2nc3ccccc3c(=O)n2-c2ccc(C)cc2C)cc1 1633661455 OZQXUVRIRUKMLT-UHFFFAOYSA-N 454.530 4.253 50 10 JIGE C#Cc1cccc(NC(=S)NNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2C)c1 1651317196 BAHJPDAAOHSIQC-UHFFFAOYSA-N 451.555 4.460 50 10 JIGE CCCOc1ccc(/C=N\NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1OCC 1860774139 OCRLGQDRXDUXDO-BIOVLPJHSA-N 482.606 4.236 50 10 JIGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@@H](c2cccn2C)C(C#N)=C(N)O3)cc1 1865699320 QLFCVBWILNGWQQ-JOCHJYFZSA-N 455.493 4.303 50 10 JIGE CCCc1nn(CC)c2c1[C@H](c1ccc(OCC(=O)N(CCC)CCC)c(OC)c1)C(C#N)=C(N)O2 1865708729 DXEPIZPGEBRYMR-XMMPIXPASA-N 495.624 4.110 50 10 JIGE ClCc1nc2cc(I)ccc2n1C[C@@H]1COCCN1Cc1ccccc1 1880817505 NVKFKIRUBMQMKW-QGZVFWFLSA-N 481.765 4.281 50 10 JIGE CC(C)(C)OC(=O)N[C@@H](CBr)[C@@H]1COC2(CCN(C(=O)OC(C)(C)C)CC2)C1 1885094471 VCIXMIIOBGBELX-GJZGRUSLSA-N 463.413 4.081 50 10 JIGE O=S(=O)(N[C@H](CCBr)C(F)(F)F)c1ccc(Cl)c(Br)c1 1918520809 HKICQKBLWXLKQQ-SECBINFHSA-N 459.509 4.097 50 10 JIGE C[C@H](NCCSSCCNC(=O)OC(C)(C)C)[C@H]1[C@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 1985350503 REMJACVDPUUXEQ-NXOAAHMSSA-N 461.694 4.126 50 10 JIGE Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1C=CC(=O)NNC(=O)c1ccccn1 2040837460 LXNZGGOTFUERCC-UHFFFAOYSA-N 464.740 4.069 50 10 JIGE O=S(=O)(c1ccc(Br)c(CCl)c1)N1CC[C@H](COCc2ccccc2)C1 2088574012 SOCWIRSAFGIOPL-INIZCTEOSA-N 458.805 4.415 50 10 JIGE CCN1CC[C@H]([C@@H](Br)c2cc(Br)ccc2Br)S1(=O)=O 2089522870 LLIWAJAVNWDBTO-NEPJUHHUSA-N 476.028 4.072 50 10 JIGE Cn1cc(Br)c([C@H](Br)c2cc(Br)c3c(c2)CCO3)n1 2090463573 ITSFEGDCSCXNCD-LLVKDONJSA-N 450.956 4.364 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@H]2CC(Cl)C[C@@H]2C1 2128646979 VTJWWZNTEFMTJO-RKDXNWHRSA-N 454.533 4.143 50 10 JIGE C=C[C@]1(CBr)COCCN1C(=O)c1scc(Br)c1Br 2135123931 YBEOMGVADCNHSR-LBPRGKRZSA-N 474.012 4.065 50 10 JIGE CCCN[C@H](c1cc(I)cc2c1OCC2)[C@H]1C[C@H](Br)C1 2196896887 SGYOEEZRFWEYDK-HUBLWGQQSA-N 450.158 4.440 50 10 JIGE C[C@H](Cl)c1nc2cncnc2n1-c1ccc(I)cc1Br 2235283170 CRRFRNJBFZHDBN-ZETCQYMHSA-N 463.504 4.482 50 10 JIGE C[C@@H](Br)CN(C1CCC1)S(=O)(=O)c1cc(Cl)c(Br)s1 2272434225 QTXKWLLUGSJKNA-SSDOTTSWSA-N 451.633 4.491 50 10 JIGE CC1(C)CCCN(C(=O)c2c(F)cccc2I)[C@H]1CBr 2282787064 MFZZUGHMOWWNEE-LBPRGKRZSA-N 454.121 4.456 50 10 JIGE C[C@H]1CN(C(=O)c2c(F)cccc2I)CC[C@H]1CCBr 2282794079 GVWLQVAWMNGJDX-WDEREUQCSA-N 454.121 4.314 50 10 JIGE C=CC[C@H](Br)[C@@H]1CCN1c1ncc(I)cc1Br 2299358065 SLGUBGLCLSNQLN-ONGXEEELSA-N 471.962 4.367 50 10 JIGE O=C(c1ccc(Br)cc1I)N1[C@H]2CC[C@H](C2)[C@@H]1CBr 2333350109 GWESXMOXPIUTRW-DVYJOKAKSA-N 498.984 4.442 50 10 JIGE O=C(NCC(F)(F)C(F)(F)CI)c1ccc(F)c(Br)c1 2361686584 JEIKYCGFVPOETO-UHFFFAOYSA-N 471.989 4.024 50 10 JIGE Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc2)cc1 59154635 FFYWOVYXPNPNKO-NSKAYECMSA-N 486.365 4.046 50 10 JIGE COc1cc(Cl)c(/C=N/NC(=O)COc2ccc(Br)cc2Cl)cc1OC 66202221 IRPXWTVCKQLYOL-ODCIPOBUSA-N 462.127 4.302 50 10 JIGE CC(/C=N/NC(=O)c1ccc(OCC(C)C)cc1)=N/NC(=O)c1ccc(OCC(C)C)cc1 102711708 SQYPCCYAUTYURO-GKYKDEINSA-N 452.555 4.278 50 10 JIGE Cc1nn(-c2ccccc2)c(N2CCOCC2)c1/C=N/NC(=O)CCCNc1ccc(Cl)cc1 253577472 XCOACVYHMFUXGN-MTDXEUNCSA-N 481.000 4.013 50 10 JIGE CC(=NNC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1)c1ccc(-n2ccnc2)cc1 254404285 QDEPTMTWOGWOAF-UHFFFAOYSA-N 493.976 4.481 50 10 JIGE CC(=NNC(=O)/C(=C\c1ccc(N(C)C)cc1)NC(=O)c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 254738225 NHXAQQBTPWEPRS-UIVQRLSTSA-N 489.507 4.111 50 10 JIGE COc1ccccc1N(CC(=O)NN=Cc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 254742026 KPMXJVGLZQTWRZ-UHFFFAOYSA-N 491.491 4.060 50 10 JIGE COc1ccc(CC(=O)NN=C2C(=O)N(Cc3cccc4ccccc34)c3ccccc32)cc1OC 254856376 PEIKCXDIPLWWLU-UHFFFAOYSA-N 479.536 4.467 50 10 JIGE C[C@@]1(CBr)CCCN(S(=O)(=O)c2cc(Br)ccc2Br)C1 688838649 NDFGIRSZWRJFPQ-ZDUSSCGKSA-N 490.055 4.397 50 10 JIGE C[C@H]1CN(S(=O)(=O)c2cc(Cl)c(Br)s2)C[C@@]1(C)CBr 694719049 ZPLBAXMMAAMJNE-WRWORJQWSA-N 451.633 4.206 50 10 JIGE C[C@@H](OC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1)C(=O)NC1CCCCC1 782092299 DTMYSBRHHYYVRY-SQFNAUOLSA-N 479.968 4.405 50 10 JIGE C#Cc1cccc(NC(=O)CN(C)C(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C)cc3)c2C)c1 1125187819 VOMCYWISRCQJPK-JLPGSUDCSA-N 450.542 4.388 50 10 JIGE C=CCOC[C@H](NC(=O)/C(C#N)=C/c1cc(C)n(-c2cccc3ccccc23)c1C)C(=O)OC 1467514755 AGIMBIZHDKJPBM-NLZIUFDSSA-N 457.530 4.015 50 10 JIGE COc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)N3CCN(c4ccccc4)CC3)c(C)c21 1772745550 BCNYTMQQTXEJFW-UHFFFAOYSA-N 486.572 4.029 50 10 JIGE COc1ccc(-c2csc(CCC(=O)N[C@H](C)C(=O)Nc3ccc(SC#N)cc3)n2)cc1 1867066379 LZIYRNJCHJZCFS-OAHLLOKOSA-N 466.588 4.468 50 10 JIGE O=C(NNc1ccccn1)[C@@H]1CCCN(C(=O)CCCOc2ccc(Cl)cc2Br)C1 1873777786 RSLUDHJOMNNFOL-OAHLLOKOSA-N 495.805 4.038 50 10 JIGE O=C(N[C@@H](CBr)C[C@H]1CCCO1)c1c(Br)cccc1Br 1926737343 SWNQKIFQYIQQBB-NXEZZACHSA-N 469.999 4.274 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN=c1[nH]c(Cl)nc(Cl)c1Br 2010827092 LXUMKYWXDZSSKR-UHFFFAOYSA-N 478.265 4.286 50 10 JIGE CC(C)OC(C)(C)CO[C@@]1(CI)CCCN(C(=O)OC(C)(C)C)C1 2015765448 FVDQRGNQAOEGFN-GOSISDBHSA-N 455.377 4.411 50 10 JIGE O=C(NCC1CC(CBr)C1)c1cc(Br)ccc1I 2049526633 TWUYIXQSUDXPJU-UHFFFAOYSA-N 486.973 4.205 50 10 JIGE CC[C@@H](C)[C@@H](CI)NC(=O)c1cccc(C)c1I 2081235447 GDRRAYXSQUNHEJ-BXKDBHETSA-N 471.120 4.179 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1CC[C@H](Br)C2(CC2)C1 2093179840 BSULKQLKJLXIAW-LBPRGKRZSA-N 454.533 4.334 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1C[C@@H](Br)CC12CCC2 2099391154 DUEKANPHIBMLOM-VIFPVBQESA-N 454.533 4.477 50 10 JIGE CC(F)(F)C[C@@H](CCl)NC(=O)c1cc(Br)ccc1I 2113236197 ROMBAMVVEYBZSD-QMMMGPOBSA-N 466.491 4.436 50 10 JIGE CCc1nn(-c2nc(CCl)ccc2Br)c(CC)c1I 2120535633 JAZICJIFQLFCJI-UHFFFAOYSA-N 454.537 4.498 50 10 JIGE Cc1cc(S(=O)(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)sc1CBr 2123244716 ZYRDEINGGCTWCI-MRXNPFEDSA-N 457.459 4.237 50 10 JIGE CC(C)[C@H]1CN(S(=O)(=O)c2ccsc2CBr)CCN1Cc1ccccc1 2123282880 MEKPFLPSJXJSOH-QGZVFWFLSA-N 457.459 4.174 50 10 JIGE C[C@H](CBr)[C@@H]1CCCCN1C(=O)Cc1ccccc1I 2143872998 MTFFDXIJRCUQGN-DOMZBBRYSA-N 450.158 4.246 50 10 JIGE CCCCO[C@@H]1[C@@H](Br)C[C@H]1Oc1ccc(OC)c(I)c1 2174964933 JVSPNCMMRNESNH-NILFDRSVSA-N 455.130 4.400 50 10 JIGE CN1C(=O)CCc2cc([C@@H](Br)c3cc(I)sn3)ccc21 2176536825 FJWRZJDPGVGQMF-CQSZACIVSA-N 463.138 4.141 50 10 JIGE O=C(CCCNC(=O)OCC1c2ccccc2-c2ccccc21)NC1CC(Br)C1 2241636330 BJEDSHFKKZFJEU-UHFFFAOYSA-N 457.368 4.347 50 10 JIGE CCOC(=O)C(C#N)=Cc1cc(I)c(OCc2ccccc2F)c(OC)c1 2293142377 ITTZCYZABUZYOU-UHFFFAOYSA-N 481.261 4.488 50 10 JIGE CCN1C[C@H](Br)[C@H](Cc2ccc(I)c(Br)c2)C1 2306216809 JZOBNPKYFROHDU-PWSUYJOCSA-N 472.990 4.311 50 10 JIGE CCOc1c(I)cc(C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC 2313518470 FFCHISZFMPUKCF-UHFFFAOYSA-N 493.257 4.152 50 10 JIGE N#CC(=Cc1cn(Cc2c(F)cccc2Cl)c2ccccc12)c1nn(CCO)c(N)c1C#N 2313555927 FFFUKGGLLXHNHF-UHFFFAOYSA-N 460.900 4.189 50 10 JIGE CNC(=O)C(C#N)=C1S[C@H](Cc2cc(Cl)cc(Cl)c2)C(=O)N1c1ccc(OC)cc1 2314592887 DDYAZTNKBWTORK-GOSISDBHSA-N 462.358 4.174 50 10 JIGE CCCCCOc1ccc(C=C2C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)cc1OCC 2314620841 VUJITYWCGRMNAC-UHFFFAOYSA-N 468.550 4.200 50 10 JIGE COC1CC2(C1)CC(O[C@@]1(CI)CCCN(C(=O)OC(C)(C)C)C1)C2 2314654019 SSEMOPFMPYRABB-LBOWEKIUSA-N 465.372 4.165 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)C[C@@H]2C[C@H](OCc3ccccc3)C[C@@H]21 2350364146 UOUANGUQDXUKJV-XHOYROJHSA-N 496.695 4.321 50 10 JIGE Clc1ccc(CN2C[C@@H](Br)C[C@@]3(CCCO3)C2)cc1I 2362380333 RFKQYIOOAUAOIL-WFASDCNBSA-N 470.576 4.463 50 10 JIGE Cn1nc(Br)c(Br)c1C(=O)N[C@H](CBr)CC1CCCC1 2364229370 ARKNOPJJNIKFPX-VIFPVBQESA-N 472.019 4.019 50 10 JIGE COc1ccc(/C(C)=N/NC(=O)CNc2cc(Br)c(C)c(Br)c2)c(OC)c1 27497748 BTIABGWPLWNHPP-FSJBWODESA-N 499.203 4.490 50 10 JIGE CCOC(=O)/C(C#N)=C\c1c(N(Cc2ccccc2)Cc2ccccc2)nc2ccccn2c1=O 33693247 OZSPUJDPDUZOSO-QJOMJCCJSA-N 464.525 4.371 50 10 JIGE COc1cccc(NC(=O)/C(C#N)=C\c2c(Oc3ccccc3)nc3c(C)cccn3c2=O)c1 39858507 JYVQAPXCHGAGKZ-JXAWBTAJSA-N 452.470 4.350 50 10 JIGE CCOc1ccc2ccccc2c1C=NNC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 254657294 KORREVZVAFJJMH-MRXNPFEDSA-N 474.586 4.285 50 10 JIGE CN(C[C@H](Br)C1CC1)S(=O)(=O)c1cc(Br)ccc1Br 690142086 BLMPMNLONJEDSM-NSHDSACASA-N 476.028 4.006 50 10 JIGE O=S(=O)(NC1CC(CBr)C1)c1c(Cl)cc(Br)cc1Cl 698959110 HFLPGGVVWDYCGO-UHFFFAOYSA-N 451.995 4.208 50 10 JIGE COCCn1c(C)cc(/C=C(/C#N)C(=O)NC[C@@H](c2c(F)cccc2Cl)N2CCCC2)c1C 915178500 HRPSUCISURRRCP-CBIIRDDDSA-N 472.992 4.404 50 10 JIGE O=C(NN=Cc1ccc(Sc2nc3ccccc3c(=O)n2-c2ccccc2)o1)c1ccco1 1084132595 XFTMPODSMANGDB-UHFFFAOYSA-N 456.483 4.487 50 10 JIGE CC(=O)c1cc(Br)ccc1OCC(=O)NNc1nc2ccc(Cl)cc2s1 1148977496 BKPKLUFEDSZUDC-UHFFFAOYSA-N 454.733 4.437 50 10 JIGE C#C[C@H](CC)NC(=O)NNc1c(Br)cc(Br)cc1Br 1686675731 QXBCMUWSKUCVQJ-MRVPVSSYSA-N 453.960 4.012 50 10 JIGE O=C(COc1cccc(Cl)c1)NN=C1C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 1772752461 QJJMWGUMEONFPV-UHFFFAOYSA-N 454.313 4.440 50 10 JIGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccn2)cc(Br)c1OC(C)C 1865697618 YFBUIWMHMCFKOZ-FQEVSTJZSA-N 496.365 4.352 50 10 JIGE COc1ccccc1[C@@H](CI)OCCOCCOCc1ccccc1 2056734208 SPNSEDOQOJOGRZ-HXUWFJFHSA-N 456.320 4.421 50 10 JIGE O=C(c1cc(Br)ccc1Br)N1CC[C@H]2[C@H](C1)[C@@H]2CBr 2093138092 QJNKSRVWAXYEMS-JLLWLGSASA-N 451.984 4.315 50 10 JIGE CC(F)(F)C[C@H](CCl)NC(=O)c1cc(Br)ccc1I 2113236196 ROMBAMVVEYBZSD-MRVPVSSYSA-N 466.491 4.436 50 10 JIGE C[C@]1(CBr)CC(F)(F)CN1C(=O)c1cccc(F)c1I 2159039761 FLPGABWPCNKODK-GFCCVEGCSA-N 462.047 4.065 50 10 JIGE Cc1cc(CBr)ccc1S(=O)(=O)N(C)C1CCN(Cc2ccccc2)CC1 2179785524 NSPVQCRKHYQELZ-UHFFFAOYSA-N 451.430 4.175 50 10 JIGE CC[C@@H](C)[C@@H](CI)NC(=O)c1ccc(C)c(I)c1 2217853475 UWWYITXFTJGNHQ-NOZJJQNGSA-N 471.120 4.179 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1[C@H]2CC[C@@H](Br)[C@H]1CC2 2229866704 XTEZDDUURFHBNL-OPQQBVKSSA-N 454.533 4.475 50 10 JIGE CCN(CC)S(=O)(=O)C[C@H](Br)c1cc(F)c(Br)cc1Cl 2282907421 OCTWTFDZJXQMEV-JTQLQIEISA-N 451.583 4.349 50 10 JIGE CCN(CC)S(=O)(=O)C[C@@H](Br)c1cc(Br)c(F)cc1Cl 2285952464 KVWPWUKZARWFOI-SNVBAGLBSA-N 451.583 4.349 50 10 JIGE N#CC(=Cc1ccc(-c2ccc(S(N)(=O)=O)cc2)o1)C(=O)Nc1cccc(C(F)(F)F)c1 2294818806 OOSGLJCWHABRKO-UHFFFAOYSA-N 461.421 4.158 50 10 JIGE COC(=O)c1cc(C=C(C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc(C(=O)OC)c1 2296802159 MHWIGRUJXOJLQU-UHFFFAOYSA-N 464.499 4.465 50 10 JIGE COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2c(C)n(C)c3ccccc23)cc1OC 2297325712 XPEKPBFSPMOGRD-UHFFFAOYSA-N 496.567 4.425 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@H]2C[C@@H](CBr)[C@H]2C1 2330497214 UHDJDBDKXJJUNG-HBNTYKKESA-N 498.984 4.157 50 10 JIGE ClC[C@H]1CCC2(CN(Cc3ccc(I)c(Br)c3)C2)O1 2349850447 HPLHLVZVGXXPJY-LLVKDONJSA-N 456.549 4.026 50 10 JIGE CC(C)(C)OC(=O)NC[C@@H]1CN(C[C@@]2(CBr)CC2(F)F)CC[C@@H]1C(F)(F)F 2379985515 IUUBRGMCVCDNBD-XUJVJEKNSA-N 465.301 4.432 50 10 JIGE COc1cc(Br)ccc1OCC(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1Cl 3170565 ZMJZUSAWFHAAQV-FOKLQQMPSA-N 477.746 4.134 50 10 JIGE CCOc1ccc(NC(=O)CCC(=O)NNC(=O)[C@@H](CC)Oc2ccc(-c3ccccc3)cc2)cc1 14768668 LBAKRDQLLRLNBS-RUZDIDTESA-N 489.572 4.476 50 10 JIGE COc1cc(/C=C(/C#N)c2ccccc2)ccc1OC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O 31901883 NNNOBDZHLUEOCR-PNWWAVQQSA-N 452.466 4.349 50 10 JIGE CCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2)cc1 48572192 SQBZHWOSUGXCTL-RWPZCVJISA-N 465.937 4.198 50 10 JIGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cc(C)n(-c3ccccc3C(=O)OC)c2C)cc1 58894385 YRJFSGYVZUYURQ-ISAGNRBTSA-N 477.561 4.243 50 10 JIGE COc1c(C)cccc1C(=O)N/N=C1\C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 59157324 DDJQFUIDBFLOKU-QYQHSDTDSA-N 492.373 4.490 50 10 JIGE CC(C)OC(=O)c1ccc([Si](C)(C)O[Si](C)(C)c2ccc(C(=O)OC(C)C)cc2)cc1 253564600 GRSZNXVKBIBVMN-UHFFFAOYSA-N 458.703 4.358 50 10 JIGE Cc1cc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)n1-c1ccc(C(=O)O)cc1 254371710 XFXUAJNCTBMMSW-UHFFFAOYSA-N 467.525 4.179 50 10 JIGE CN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1cc(CCl)oc1Br 388909357 IFIIEPIELWAXJD-UHFFFAOYSA-N 461.809 4.066 50 10 JIGE C[C@H]1C[C@H](Br)CCN1C(=O)c1cc(I)ccc1Br 705451218 WWAAAXYSEBYKHS-DTWKUNHWSA-N 486.973 4.442 50 10 JIGE COc1ccc(CCC(=O)NNC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C4CC4)c23)cc1 727710453 MYOZAZHATZSQAL-UHFFFAOYSA-N 474.492 4.309 50 10 JIGE O=C(NNC(=O)N1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1)c1c(Cl)cccc1Cl 727846444 RBGVDMNPUXKBEE-KRWDZBQOSA-N 481.767 4.449 50 10 JIGE C[C@H](OC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1)C(=O)N1c2ccccc2C[C@H]1C 761396461 DSXVDELQOCAPTJ-XHWUYVRHSA-N 479.540 4.280 50 10 JIGE N#CCCn1cc(/C=C(\C#N)C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c(-c2ccccc2)n1 914464238 HDTATBJBEIEZHG-PTGBLXJZSA-N 478.556 4.248 50 10 JIGE COc1cc2ccccc2cc1C(=O)NN=Cc1c(C)nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1C 1084544777 QNRVYKLMDKGJCO-UHFFFAOYSA-N 488.460 4.231 50 10 JIGE COc1ccc(NC(=O)[C@@H](NNC(=O)c2ccc(Br)cc2)c2ccccc2)cc1 1115819308 UKVJWNXYCOIASX-FQEVSTJZSA-N 454.324 4.072 50 10 JIGE C#Cc1cccc(N(CC(=O)NC)C(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(C)c3)c2C)c1 1264841302 INXOZMXGCIODOV-JLPGSUDCSA-N 450.542 4.070 50 10 JIGE C#CC[C@@H](CCOC)NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(Br)cc2)c1C 1461930830 BXMMLBSLLXPGGZ-CURYZJDOSA-N 454.368 4.308 50 10 JIGE CC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)NNc3cc(Cl)ccc3C)cc2)cc1 1558662506 DMLCHUKEHYVBPS-UHFFFAOYSA-N 457.939 4.409 50 10 JIGE C/C(=C\c1c(Cl)cccc1Cl)C(=O)NNC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1636369612 KAJAHCRKJJPTMS-YPDDLIOESA-N 456.370 4.191 50 10 JIGE CCCc1nn(CCC)c2c1[C@@H](c1cc(Br)c(O)c(OCC)c1)C(C#N)=C(N)O2 1865688534 UNKJNMXMTGDKLC-KRWDZBQOSA-N 461.360 4.331 50 10 JIGE CCCn1nc(CC)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OC(=O)c2ccccc2)c(OC)c1 1865705407 VAIJKSBUCKFPFA-QFIPXVFZSA-N 458.518 4.301 50 10 JIGE CCCC[C@H](NC(=O)CS(=O)(=O)c1cccc(Cl)c1)C(=O)Nc1ccc(SC#N)cc1 1866883536 CREAFBMYJJOZPC-IBGZPJMESA-N 480.011 4.001 50 10 JIGE CCc1ccc(-c2csc(/C(C#N)=C(\O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n2)cc1 1872744113 HJJUAFDHSJDRND-ZZEZOPTASA-N 460.471 4.370 50 10 JIGE C[C@@H](Br)[C@H](NC(=O)c1cc(Cl)ccc1I)C(F)(F)F 1882650675 DSWLAGYHVFDIRX-ANLVUFKYSA-N 470.454 4.389 50 10 JIGE C[C@@H]1CN(Cc2ccc(I)c(Br)c2)C[C@@H]1Br 1904343822 MSPGHLMTNHJKPK-KCJUWKMLSA-N 458.963 4.269 50 10 JIGE O=C(NC12CC(CBr)(C1)C2)c1cc(Br)ccc1I 2033788941 BWMQCNUXAOQFLP-UHFFFAOYSA-N 484.957 4.101 50 10 JIGE CCOC(=O)Cc1cc(C(F)(F)F)cc(CBr)c1I 2055272658 NBLXONVHGFRKRT-UHFFFAOYSA-N 451.020 4.311 50 10 JIGE N#CC1CC(O)(COc2c(Br)cc(CBr)cc2Br)C1 2090193009 YDYHBYBWMZJZAH-UHFFFAOYSA-N 453.956 4.150 50 10 JIGE CC1(C)[C@H](CBr)CCN1S(=O)(=O)c1cc(Cl)c(Br)s1 2095206268 BKDZRXBVVLXVLS-ZETCQYMHSA-N 451.633 4.348 50 10 JIGE C[C@@H]1CN(C(=O)c2ccc(I)c(Cl)c2)CC[C@@H]1CBr 2109032143 LPWQHVGHSFYLGN-MWLCHTKSSA-N 456.549 4.438 50 10 JIGE Cc1csc(CBr)c1S(=O)(=O)N(C)[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 2123238988 ZXWFOGWISNIZIX-WBVHZDCISA-N 457.459 4.235 50 10 JIGE O=C(c1cc(Br)cc(Br)c1)N1CC2(CC(CBr)C2)C1 2129954005 CGHDPXZHAFOWPF-UHFFFAOYSA-N 451.984 4.459 50 10 JIGE CCN([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)Cc1ccc(CBr)cc1 2179790966 KYOVTLFUKWZUNV-NRFANRHFSA-N 451.430 4.008 50 10 JIGE C[C@@]12CN(C(=O)c3ccc(Cl)c(I)c3)C[C@]1(CBr)C2 2268355184 PVZMZTTWSHIFBX-ZIAGYGMSSA-N 454.533 4.192 50 10 JIGE CNC(=O)C(C#N)=C1S[C@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(F)cc1 2296834967 HNCIMJBMTWXHSL-QGZVFWFLSA-N 450.322 4.305 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC[C@H]2C[C@@]23CC3(F)F)C1 2307350561 JVVKBPSODFPXQB-DAXOMENPSA-N 457.299 4.253 50 10 JIGE COc1cc(C=NNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)ccc1OCc1ccccc1 2328828070 HMADRYCTBNOWLA-FQEVSTJZSA-N 453.539 4.124 50 10 JIGE CC(C)CCOc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(Cl)cc2Cl)cc1 14022079 OOPXGKMGDXAGKP-UHFFFAOYSA-N 454.379 4.368 50 10 JIGE Cc1cc(OCC(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)ccc1Cl 14644141 FOIWEFQVCWTDDA-LLVKDONJSA-N 476.154 4.058 50 10 JIGE Cc1ccc(OCC(=O)NNC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)c(Br)c1 14665832 MCEQKFRUHJWPCW-HNNXBMFYSA-N 463.372 4.049 50 10 JIGE N#CC1=C(N)N(N2CCOCC2)C2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccccc1Cl 27551823 VYEJNJIHCGNTSY-KOSHJBKYSA-N 460.965 4.081 50 10 JIGE C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)c1ccc(Cl)cc1I 32486578 IRJMGANSRXHWQE-GFCCVEGCSA-N 494.716 4.326 50 10 JIGE C/C(=N/NC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1ccc2c(c1)OCO2 33648551 WHWXDFCEAJGOMF-OYKKKHCWSA-N 471.922 4.024 50 10 JIGE CCN(CC)c1ccc(/C=C2/C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1 38608359 MOIOZILXWTUYHP-XQNSMLJCSA-N 473.573 4.385 50 10 JIGE COc1ccc(CCNC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2)CCC3)cc1OC 40804027 QVTAUDPQDRNORS-ZTKZIYFRSA-N 475.545 4.048 50 10 JIGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\Nc3ccccc3Br)C2=O)cc1OC 101234026 SIHCKZSOOZZXKH-NBVRZTHBSA-N 496.361 4.214 50 10 JIGE CCOC(=O)c1nn(-c2ccccc2)c2c1CN(C(=O)N[C@H]1CC(C)(C)C[C@@](C)(CN=C=O)C1)CC2 170290575 KNYKETOCFXFGGJ-PPHZAIPVSA-N 493.608 4.038 50 10 JIGE O=C(O)COc1ccc(C=NNC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1 254379278 OWQPVFLNNBIQDR-UHFFFAOYSA-N 478.452 4.062 50 10 JIGE CCOc1ccc(C=NNC(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)cc1OCC 254512406 MMZFIIBVJYTUKW-UHFFFAOYSA-N 490.585 4.381 50 10 JIGE O=S1(=O)CC[C@H](C(CBr)(CBr)Cc2sccc2Cl)C1 382248114 DPPYGPPPPMMKCP-VIFPVBQESA-N 450.645 4.155 50 10 JIGE O=C(CBr)CC1(NC(=O)OCc2ccccc2)CCN(Cc2ccccc2)CC1 686773756 WRHQFDCJCFHMTC-UHFFFAOYSA-N 459.384 4.302 50 10 JIGE O=C(c1cc(Br)ccc1I)N(CCBr)CC1CC1 688419826 MAIUCOSFOBOLKM-UHFFFAOYSA-N 486.973 4.301 50 10 JIGE C[C@H]1CCCN(S(=O)(=O)c2cc(Cl)c(Br)s2)[C@H]1CBr 688772940 SHMKTKFBLLMQAN-CBAPKCEASA-N 451.633 4.348 50 10 JIGE Cc1nc(COc2c(Br)cc(Br)cc2CBr)n(C)n1 689356379 VXUVNOHUGWCLNY-UHFFFAOYSA-N 453.960 4.122 50 10 JIGE CCCOc1c(Br)cc(Br)cc1C=NNC(=O)[C@@H]1COc2ccccc2O1 916293201 CQZPNDPLZXWBJS-KRWDZBQOSA-N 498.171 4.291 50 10 JIGE O=C(NN=Cc1cccn1-c1ccccc1)c1cc(Br)cc(Br)c1O 1084051829 SCXSONOTIUOHTJ-UHFFFAOYSA-N 463.129 4.472 50 10 JIGE C=CCOc1c(Br)cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc1OCC 1084540802 AGLRTOXQEHUITL-LJQANCHMSA-N 461.356 4.377 50 10 JIGE CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NNc1c(Cl)cc(Br)cc1Cl 1566091942 UHGAFNSBXQOSJP-INIZCTEOSA-N 457.155 4.172 50 10 JIGE C=CCn1c(SCC(=O)NNc2cccc([N+](=O)[O-])c2C)nnc1-c1ccc(Cl)cc1 1623408632 ISDSVVSLWYUEIN-UHFFFAOYSA-N 458.931 4.237 50 10 JIGE COc1cc(C=NNC(=O)CSc2nc3ccccc3o2)ccc1OC(=O)c1ccccc1 1772760593 XDRUKWWILYGIDC-UHFFFAOYSA-N 461.499 4.298 50 10 JIGE CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865712028 OCSLOUZOSVMVPW-JOCHJYFZSA-N 473.489 4.031 50 10 JIGE COc1ccccc1OCC(=O)NNC(=O)c1ccc(-c2ccc(Cl)cc2Cl)nc1C 1865759691 NGMILVNUWINZCK-UHFFFAOYSA-N 460.317 4.212 50 10 JIGE O=C(CN1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)Nc1nnc(CCl)s1 1865890221 BVLKIWDVBBNPGC-UHFFFAOYSA-N 474.540 4.125 50 10 JIGE Cc1ccc(-c2csc(/C(C#N)=C(\O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n2)c(C)c1 1872748827 PIOWEAIBFWCGJM-ZZEZOPTASA-N 460.471 4.424 50 10 JIGE C[C@@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1cc(Br)cs1 1914634036 QKACHSHESGFGTN-LLVKDONJSA-N 453.221 4.485 50 10 JIGE O=C(NC[C@H]1CCC2(CCC2)[C@H]1Br)c1csc(I)c1 1924789456 IOHJJYYDNUNCCD-SKDRFNHKSA-N 454.171 4.426 50 10 JIGE CC(C)(CBr)CN1CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC1 1954682830 SZROUEOIAADCRT-UHFFFAOYSA-N 450.418 4.112 50 10 JIGE CCc1cc(C(=O)CBr)c(I)cc1I 2060140763 DTGIYWYQSWFFJM-UHFFFAOYSA-N 478.893 4.036 50 10 JIGE O=C(N[C@@H]1C[C@H](CBr)[C@@H]2C[C@H]12)c1cc(Br)cc(Br)c1 2110547628 BUXKASFAYLEXOU-ZJNJWXDTSA-N 451.984 4.361 50 10 JIGE CC1(C)[C@@H](NS(=O)(=O)c2cc(Cl)c(Br)s2)CC[C@H]1Br 2142124205 VYPRPMNRKUDWSR-SFYZADRCSA-N 451.633 4.394 50 10 JIGE C[C@H]1CN(S(=O)(=O)c2ccc(CCl)c(Br)c2)[C@H](C)CN1Cc1ccccc1 2152184589 MHJXUKVOGXSHIA-JKSUJKDBSA-N 471.848 4.471 50 10 JIGE O=C(Cc1ccccc1I)NCC[C@@H]1CCCC[C@H]1Br 2179630139 RZXJGQLDLULCAI-GXTWGEPZSA-N 450.158 4.294 50 10 JIGE CN(Cc1ccccc1)[C@H]1CCCN(S(=O)(=O)c2cc(F)ccc2CBr)C1 2179776031 QGSOPJQQUNICMI-IBGZPJMESA-N 455.393 4.006 50 10 JIGE CC(C)[S@](=O)(=NCC(C)(C)CI)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2306809731 MFPBXXARWLTTMW-JBEBIEQOSA-N 472.433 4.333 50 10 JIGE Cc1cccc(N2CCN(C=C(C#N)C(=O)Nc3ccc(I)cc3C)CC2)c1 2325408083 DZCZAKLUWCOHSQ-UHFFFAOYSA-N 486.357 4.076 50 10 JIGE O=C(N[C@H]1C[C@@H]2C[C@H]1C[C@@H]2Cl)c1ccc(Br)cc1I 2333350526 ZANXYKHVPDGFGU-BSCUDYGSSA-N 454.533 4.189 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@H]2CC[C@H]1[C@H](Br)C2 2349951784 AZSXLWWLUFCEDC-KDDOJWQBSA-N 498.984 4.442 50 10 JIGE COc1cc([C@H](Br)c2c(Br)ncn2C)c(OC)cc1Br 2362446455 KVNYJSJSQPVGAB-NSHDSACASA-N 468.971 4.447 50 10 JIGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=S)NC(=O)/C=C/c2cccc3ccccc23)c1 12503535 YEIWCBRDYFRAJI-WYMLVPIESA-N 461.587 4.386 50 10 JIGE COc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4ccc(Cl)cn4)c(C)c32)cc1 40813859 NJFKVRDUNRSXRU-WPWMEQJKSA-N 452.898 4.368 50 10 JIGE COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OS(=O)(=O)c3ccccc3)c(OC)c2)cc1 59536282 RSEUPVKKNJSJAS-JXAWBTAJSA-N 464.499 4.017 50 10 JIGE Cc1cc(Br)c([C@@H](Br)[C@@H]2CCS(=O)(=O)C2)cc1Br 128742650 HLDXQPPHAYIPOH-PELKAZGASA-N 461.013 4.391 50 10 JIGE COc1ccc(NC(=O)/C(C#N)=C\N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 217171980 IAQUSMDQFKGJJQ-FLFQWRMESA-N 452.558 4.448 50 10 JIGE Cc1cccc(C(=O)NCC(=O)NN=Cc2ccc(OC(=O)c3cccc4ccccc34)cc2)c1 254745029 HZFXNZCMRANCPG-UHFFFAOYSA-N 465.509 4.248 50 10 JIGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNC(=O)C(c1ccccc1)c1ccccc1)[C@@H](Br)C2=O 256019074 JGAJUQKLCYRNOM-OWAUWMPXSA-N 483.406 4.125 50 10 JIGE COC(=O)[C@@H](Br)C1(Oc2c(Br)cccc2Br)CCC1 382379970 RBBWFILHYXFIKU-LLVKDONJSA-N 456.956 4.450 50 10 JIGE O=S(=O)(CCOc1c(Br)cc(Cl)cc1CBr)C(F)(F)F 708074169 ZWZGTRZYONINTI-UHFFFAOYSA-N 460.493 4.311 50 10 JIGE O=C(N[C@@H]1CCC[C@H](Br)C1)c1ccc(I)c(Br)c1 721622714 SKHIUPDPUMFKBS-VHSXEESVSA-N 486.973 4.490 50 10 JIGE CC(C)(C)c1ccc(C(=O)NNC(=O)NCC2(c3ccc(Br)cc3)CCOCC2)cc1 725876706 SQTHPKBELRXZSL-UHFFFAOYSA-N 488.426 4.439 50 10 JIGE C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)C1CCN(c2nc3ccccc3s2)CC1 727364947 IHIUYRIQWYKWBA-KRWDZBQOSA-N 474.586 4.281 50 10 JIGE O=C1Nc2cc(Cl)ccc2[C@@H]1C1CCN(S(=O)(=O)c2ccc(CCCl)cc2)CC1 727463003 BUAOFKQYFQWBEV-FQEVSTJZSA-N 453.391 4.258 50 10 JIGE C=CCOc1ccccc1C=NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 916257503 VAELHBUFHGXVKP-UHFFFAOYSA-N 469.950 4.470 50 10 JIGE CC(=O)N1CCN(C(=O)/C(C#N)=C\c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)[C@@H](C)C1 1435474745 AIPLNEHFAATZGB-HNIBHBHRSA-N 459.377 4.387 50 10 JIGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1cc(OC)c(OC)c(OC)c1)C(C#N)=C(N)O2 1865693546 WTQDNZQPEFLDLJ-HSZRJFAPSA-N 474.561 4.436 50 10 JIGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)c2cccc(Cl)n2)cc1 1866564736 NNUJLYXXCONQPI-IBGZPJMESA-N 454.914 4.427 50 10 JIGE CC[C@H](NC(=O)Cc1nc(-c2ccc3c(c2)OCO3)oc1C)C(=O)Nc1ccc(SC#N)cc1 1867192322 QDNIPTLEVSUQAX-SFHVURJKSA-N 478.530 4.028 50 10 JIGE O=S(=O)(N(Cc1ccccc1)Cc1ccccc1)N1CCC[C@H](CCBr)C1 1882229999 PFIZCGMEAPMEHB-OAQYLSRUSA-N 451.430 4.431 50 10 JIGE C[C@@H]1C[C@H](Br)CN1C(=O)c1ccc(Br)cc1I 2026222538 ZQCFVORKTILSMP-APPZFPTMSA-N 472.946 4.052 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CCCC[C@H](Br)C1 2050109197 XVELSXYECXZWNF-JTQLQIEISA-N 486.973 4.443 50 10 JIGE O=S(=O)(C[C@@H](Br)c1ccc(Br)cc1Br)N1CCCC1 2089390139 XDYPPHXYUCTORK-GFCCVEGCSA-N 476.028 4.073 50 10 JIGE O=C(c1cc(Br)ccc1Br)N1C[C@@H]2C[C@@H](CBr)[C@@H]2C1 2117691602 WOJXYWPDROFSPU-AUTRQRHGSA-N 451.984 4.315 50 10 JIGE O=C(c1cccc(Br)c1Br)N1C[C@H]2C[C@H](Br)C[C@H]2C1 2128642282 VJWYGTITOZCXAT-MYJAWHEDSA-N 451.984 4.457 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CC[C@H](Br)[C@@H]2CC[C@H]21 2133726321 KUTAGVFTNXIKSH-OUJBWJOFSA-N 498.984 4.442 50 10 JIGE CC1(C)[C@@H](Cl)C[C@H]1CNC(=O)c1ccc(Br)cc1I 2142282314 BUHMPPQHXMLBEO-UFBFGSQYSA-N 456.549 4.437 50 10 JIGE CC[C@@H]1CN(S(=O)(=O)CCC(CCl)CCl)[C@H](CC)CN1C(=O)OCc1ccccc1 2163052207 AZUQGYJPEYWISY-WOJBJXKFSA-N 479.470 4.312 50 10 JIGE C[C@H]([C@H](Br)c1cc(Br)c(Br)cc1F)S(C)(=O)=O 2213493614 WPLOXRCGGHOSLI-FWOIEVBISA-N 452.965 4.220 50 10 JIGE CCN1CCC[C@@H]([C@@H](Br)c2scc(Br)c2Cl)S1(=O)=O 2264611062 CKQGSSHGPOPBET-DTWKUNHWSA-N 451.633 4.414 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1CC[C@@H](Br)C12CCC2 2268351363 LHAOZHNBDUMYMG-GFCCVEGCSA-N 454.533 4.477 50 10 JIGE CNC(=O)C(C#N)=C1S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(Br)cc1 2293039248 SJXYTMDGBBUKJR-QGZVFWFLSA-N 476.783 4.275 50 10 JIGE CCCOc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(OC)cc2)cc1 2296734192 STRSXIBOGJDXBX-UHFFFAOYSA-N 457.530 4.405 50 10 JIGE CCOc1cc(Br)c(C=C(C#N)C(=O)NCc2ccc(OC)cc2)cc1OCC 2313738839 SADASSHWPCQZNH-UHFFFAOYSA-N 459.340 4.478 50 10 JIGE CCOc1cc(C=C2C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCCC(C)C 2314620947 WUAVIIZSDPZNDI-UHFFFAOYSA-N 468.550 4.056 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OC[C@H]2CO[C@]3(C)C[C@H]2C3)C1 2318557108 HREXJWYTGIPOIE-LTDCPUDJSA-N 465.372 4.023 50 10 JIGE Cc1ccccc1C=C(C=O)N1CCN(c2ncnc3c2cnn3-c2cccc(Cl)c2)CC1 2318734584 NGAUQOXGEQKULU-UHFFFAOYSA-N 458.953 4.139 50 10 JIGE C=CC[C@H](Cl)[C@H]1CCN1C(=O)c1cc(I)ccc1Br 2335806241 KJQBTOQNELDIFN-QWHCGFSZSA-N 454.533 4.452 50 10 JIGE Cn1cnc(Br)c1[C@@H](Br)c1cc(Br)cc2c1OCC2 2337273932 XIJCJWLSUJZGQR-JTQLQIEISA-N 450.956 4.364 50 10 JIGE O=C(N[C@H]1C[C@H]2C[C@H]1C[C@@H]2Br)c1ccc(Cl)cc1I 2340066677 SYPXSRZWBCJRGP-YXPMNYRZSA-N 454.533 4.236 50 10 JIGE CC(C)c1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2Br)cc1 10451960 PMFVHYUFQHZDPM-UHFFFAOYSA-N 470.161 4.175 50 10 JIGE CC(C)COc1ccc(C(=O)NC(=S)NNC(=O)Cc2ccc(Cl)cc2)cc1Br 14654320 LCVFMORMRJUURZ-UHFFFAOYSA-N 498.830 4.016 50 10 JIGE O=C(CSc1nc(-c2ccccc2)n(-c2ccccc2)n1)NNC(=O)c1ccc(Cl)cc1 20923889 DNFFCMWBNVZWIQ-UHFFFAOYSA-N 463.950 4.141 50 10 JIGE Cc1nn(-c2ccccc2)c2nc(Cc3ccccc3)nc(N3CCCN(C(=O)[C@@H](C)Cl)CC3)c12 35908874 HQFCJAKSKAZHLV-LJQANCHMSA-N 489.023 4.381 50 10 JIGE COc1ccc(OC)c(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc([N+](=O)[O-])c2)CCC3)c1 40812984 VTSZALALIPMROE-OVVQPSECSA-N 492.488 4.236 50 10 JIGE CN(C)c1ccc(C(=O)N/N=C2\C(=O)N(Cc3ccc(F)cc3)c3ccc(Br)cc32)cc1 59148409 JMKGGSGNXCIIAZ-QYQHSDTDSA-N 495.352 4.335 50 10 JIGE COC(=O)C[C@H](NS(=O)(=O)c1ccc(CCCCl)cc1)c1ccc(Br)cc1 110099261 DQAXMCJVOABNFU-SFHVURJKSA-N 474.804 4.203 50 10 JIGE O=C(c1cc(Br)sc1Br)N1CCC(OCCBr)CC1 232487879 DDTPYCWKOPHPHZ-UHFFFAOYSA-N 476.028 4.289 50 10 JIGE CC(=NNC(=O)[C@]1(C)CC1(Br)Br)c1cccc(NC(=O)C2CCC2)c1 252621099 MSUYICCOBYEYGQ-KRWDZBQOSA-N 471.193 4.162 50 10 JIGE FC(F)(F)Oc1c(I)ncc(Br)c1CBr 396176870 CSXJOYCIIJCJGL-UHFFFAOYSA-N 460.813 4.242 50 10 JIGE CC[C@H](Br)CCCNS(=O)(=O)c1cc(Br)ccc1Br 398559863 LBOICQKJQWJWMI-VIFPVBQESA-N 478.044 4.444 50 10 JIGE COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccccc2N2C[C@H](C)O[C@@H](C)C2)c1C 917759911 GQBHEFIOIJYRIC-DLVXGTMASA-N 450.583 4.472 50 10 JIGE COc1cc(C=NNC(=O)Cn2cnc3cc(C)c(C)cc32)ccc1OCc1ccc(C(=O)O)cc1 1084010303 HWNFIKDSNRONGP-UHFFFAOYSA-N 486.528 4.089 50 10 JIGE COc1cc(/C=C\C(=O)NN)cc(I)c1OCc1ccc(Cl)cc1Cl 1084347049 REWFHIRDEXKLLP-DJWKRKHSSA-N 493.128 4.189 50 10 JIGE C=CCN1CC[C@@H](N(C)C(=O)/C(C#N)=C\c2cc(C)n(-c3cccc4ccccc34)c2C)C1=O 1524312198 CQAWKLKJCMUHFR-LMTOTAIGSA-N 452.558 4.400 50 10 JIGE COc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@@H]3c2cc(Br)ccc2F)cc1 1865702474 VVHCAVMKWQEEGZ-IBGZPJMESA-N 455.287 4.309 50 10 JIGE CN(C[C@@H](Cl)COCc1ccccc1)C(=O)Cc1ccccc1I 1916384033 VLABIXBVLVYBPN-QGZVFWFLSA-N 457.739 4.116 50 10 JIGE O=C(N[C@@H](CBr)C[C@H]1CCCO1)c1cc(Br)sc1Br 1926779962 KJTGVCNHDOBLNF-HTQZYQBOSA-N 476.028 4.336 50 10 JIGE Clc1cc(CN2CCC[C@H](OCCBr)C2)ccc1I 2142949329 IOUAVLYAEDTTOD-LBPRGKRZSA-N 458.565 4.321 50 10 JIGE O=S(=O)(NC[C@]1(F)C[C@@H](CBr)C1)c1cc(Br)ccc1Br 2168563129 QHTZDMIDCGRIEN-LYWQIFSTSA-N 494.018 4.003 50 10 JIGE Cc1cc(C(=O)N2CCC(C)(C)[C@@H](CBr)C2)ccc1I 2207096100 JDYUJWIYCHBECN-ZDUSSCGKSA-N 450.158 4.483 50 10 JIGE Cc1ccc(N2C(=O)[C@@H](Cc3cccc([N+](=O)[O-])c3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2293038618 PBVYTVLUKVOAAG-JOCHJYFZSA-N 488.525 4.239 50 10 JIGE N#CC(C(N)=O)=C1S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(Cl)cc1 2293039140 HZQYEAQYHBMSAG-MRXNPFEDSA-N 462.756 4.014 50 10 JIGE C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)NN=Cc4ccccc4C(F)(F)F)c(=O)c23)C1 2325903158 AVIWDCXAHYSZEE-STQMWFEESA-N 462.497 4.313 50 10 JIGE Cn1cnc(Br)c1[C@H](Br)c1cc(Br)cc2c1OCC2 2337273934 XIJCJWLSUJZGQR-SNVBAGLBSA-N 450.956 4.364 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1[C@H]2CC[C@@H](C2)[C@H]1CBr 2340055755 AVDJDBKKKQNXKU-GMOODISLSA-N 454.533 4.333 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1CC[C@@H](Br)C12CCC2 2340062573 BCMHTFKFBNDOII-GFCCVEGCSA-N 454.533 4.477 50 10 JIGE Cn1nc(Br)c(Br)c1C(=O)NCC[C@@H]1CCCC[C@H]1Br 2364227556 AJBAXXPJZDHTGP-DTWKUNHWSA-N 472.019 4.019 50 10 JIGE Cn1ncc(I)c1-n1c(CCl)nc2ccc(F)c(Br)c21 2381870380 ZFXJSZRACHXMCU-UHFFFAOYSA-N 469.483 4.004 50 10 JIGE CC(C)c1ccc(OCC(=O)NNC(=O)Cc2cccc3ccccc23)c(Br)c1 12489325 NTROOTQDXCHOGY-UHFFFAOYSA-N 455.352 4.495 50 10 JIGE CCN(CC)c1ccc(/C=N/NC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)c(O)c1 12580955 WIUGLBXWXZGPRC-ZMOGYAJESA-N 451.354 4.414 50 10 JIGE CC(C)C(=O)Nc1ccc(C(=O)NNC(=O)COc2ccc3ccccc3c2Br)cc1 13984982 UOHIEBBJSFSINE-UHFFFAOYSA-N 484.350 4.037 50 10 JIGE C=CCNC(=O)/C(C#N)=C\c1c(N(Cc2ccccc2)Cc2ccccc2)nc2ccccn2c1=O 33769936 UGJXGXHCFINGJO-MOHJPFBDSA-N 475.552 4.110 50 10 JIGE CC(=O)OCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cc(C)ccc2C)C1=O 38608823 WPDRMIHOYKBNTN-MFKUBSTISA-N 494.551 4.312 50 10 JIGE Cc1cc2ncn(CC(=O)N/N=C3/C(=O)N(C/C=C/c4ccccc4)c4ccccc43)c2cc1C 59148861 BCBFFGSBQTYOSP-NMJUNFTGSA-N 463.541 4.234 50 10 JIGE CCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccc([N+](=O)[O-])cc3)nc2-c2ccccc2)C1=O 101332827 FORQJVMBBJJNSF-HYARGMPZSA-N 467.485 4.450 50 10 JIGE O=S1(=O)CC[C@@H](C(CBr)(CBr)Cc2cccc(F)c2Cl)C1 123425588 LOBVQDZMRAKXQL-LLVKDONJSA-N 462.606 4.233 50 10 JIGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C)C(=O)C(C#N)=C2C)cc1C 214204898 NKGIHYJWLIFRDE-HMAPJEAMSA-N 452.514 4.469 50 10 JIGE C[C@@H]1CN(Cc2ccccc2)CCN(S(=O)(=O)c2cc(CCl)sc2Br)C1 323408982 DAVLASSOGAIEHE-CQSZACIVSA-N 477.877 4.392 50 10 JIGE O=C(NNS(=O)(=O)/C=C/c1ccccc1Cl)c1ccccc1OCc1ccc(F)cc1 727350464 NDMPPLZSKVTTNL-BUHFOSPRSA-N 460.914 4.293 50 10 JIGE CC(=O)CCc1ccc(O[C@@H](C)C(=O)NNc2nnc(-c3ccccc3)n2-c2ccccc2)cc1 745187250 CXYACVUGKQBPLR-FQEVSTJZSA-N 469.545 4.367 50 10 JIGE COc1ccc(-c2nc(COC(=O)/C(C#N)=C\c3cn(CCC#N)nc3-c3ccccc3)no2)cc1 913215878 APZZSNGFKDHSKQ-ZHZULCJRSA-N 480.484 4.173 50 10 JIGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)ccc1OCc1ccc2c(c1)OCO2 1084484610 GLVMNUVRRNZDFG-QFIPXVFZSA-N 476.529 4.357 50 10 JIGE COc1ccc(OC)c(/C=C/C(=O)N2CCC(C(=O)Nc3ccc(SC#N)cc3)CC2)c1 1860600806 LREYIWKFSRSZEY-XCVCLJGOSA-N 451.548 4.167 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2c(F)cccc2Cl)[C@@H]1c1ccc(O)c(O)c1 1865680875 YRHWZXWVRSLUDD-MRXNPFEDSA-N 480.805 4.372 50 10 JIGE Cc1oc(-c2ccc(C(C)(C)C)cc2)nc1CC(=O)N[C@H](CO)C(=O)Nc1ccc(SC#N)cc1 1866680458 RGOAUACOMNPPJX-JOCHJYFZSA-N 492.601 4.179 50 10 JIGE CCCCN(CCBr)c1ncc(I)cc1Br 1988539242 FKXLOJYWNWBRJO-UHFFFAOYSA-N 461.967 4.450 50 10 JIGE C#CC[C@@](C)(CBr)CNC(=O)c1cc(I)ccc1Br 2140712962 IGIGRJIYNBRACY-AWEZNQCLSA-N 498.984 4.208 50 10 JIGE O=C(c1ccc(Br)cc1I)N1[C@H]2CC[C@@H]1C[C@@H](Cl)C2 2142281699 SZWOWJXWGMJEEZ-RTCCRHLQSA-N 454.533 4.428 50 10 JIGE C[C@H](CBr)[C@H]1CCCCN1C(=O)Cc1ccccc1I 2143872999 MTFFDXIJRCUQGN-IUODEOHRSA-N 450.158 4.246 50 10 JIGE CN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(CBr)cc1F 2179785959 SVEMDKXRAMTQER-UHFFFAOYSA-N 455.393 4.006 50 10 JIGE BrC[C@]12CN(Cc3ccc(Br)cc3Br)C[C@H]1CCO2 2231270817 SMYKXQTVRZZNCU-RISCZKNCSA-N 454.000 4.197 50 10 JIGE Cn1ncc([C@H](Br)c2ccc([C@H]3CCOC3)s2)c1I 2231746656 QKBVSPHZVWKASR-UFBFGSQYSA-N 453.143 4.074 50 10 JIGE C[C@@]1(CCl)C=CCCN1C(=O)c1ccc(I)c(Br)c1 2264396066 KOIDMCCMJYTYRD-AWEZNQCLSA-N 454.533 4.453 50 10 JIGE Cc1ccc(C2=NN3C(=N)C(=Cc4ccc(OCCBr)cc4)C(=O)N=C3S2)cc1 2297499891 LOCQDHYAOZAAND-UHFFFAOYSA-N 469.364 4.436 50 10 JIGE CN([C@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]12)S(=O)(=O)c1ccc(CBr)o1 2357091128 HJFJPXSJJNFSSK-WNHJNPCNSA-N 454.386 4.179 50 10 JIGE COc1cc(Br)c(OCC(=O)N/N=C/C=C/c2ccco2)c(Br)c1 3079929 NAWNILINARQUMP-QEUHSTRPSA-N 458.106 4.007 50 10 JIGE CC[C@@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(OCc3ccccc3)cc2)cc1 10296149 GDCIWDUSNRMZTF-GOSISDBHSA-N 477.586 4.392 50 10 JIGE O=C(/C=C/c1cccc2ccccc12)NNC(=O)COc1ccc(Br)cc1Cl 13977975 CYVJKYNPZILFJE-DHZHZOJOSA-N 459.727 4.495 50 10 JIGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)c1 38659846 JZGQUFYKMRTROR-MQNRADLISA-N 490.487 4.434 50 10 JIGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)c1 38659858 ICYACSZMZIVWBB-BZQUYTCOSA-N 490.487 4.434 50 10 JIGE O=C(Cc1ccc([N+](=O)[O-])cc1)NNc1ncnc(NC(c2ccccc2)c2ccccc2)c1[N+](=O)[O-] 40650617 JRGZAKOKCFTPRW-UHFFFAOYSA-N 499.487 4.180 50 10 JIGE COc1ccc(C=NNC(=O)CNc2cccc3ccccc23)cc1I 254698585 PBYFASFNMDQSEC-UHFFFAOYSA-N 459.287 4.015 50 10 JIGE COc1ccc(-n2c(SCC(=O)NN=C(C)c3cccnc3)nnc2-c2ccc(C)cc2)cc1 254797067 HCPUENUMJGIXAN-UHFFFAOYSA-N 472.574 4.279 50 10 JIGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNC(=O)COc1ccc(Cl)cc1Cl)[C@H]2Br 256019206 OWLCRPYEJNOYGZ-QGTPRVQTSA-N 464.187 4.109 50 10 JIGE C[C@@H]1CCCN(S(=O)(=O)c2cc(Br)ccc2Br)[C@@H]1CBr 688617835 MHJABFKWBCCYDO-BXKDBHETSA-N 490.055 4.396 50 10 JIGE CC(C)(CBr)CNC(=O)c1ccc(I)c(Br)c1 721571178 DACLMIHMEOMHIH-UHFFFAOYSA-N 474.962 4.205 50 10 JIGE O=C(N[C@H](CCl)CC(F)(F)F)c1ccc(I)c(Br)c1 721594749 RMBCDJHGYKVWPI-ZETCQYMHSA-N 470.454 4.343 50 10 JIGE O=C(NC[C@@H]1CC[C@H](Br)C1)c1ccc(I)c(Br)c1 721615544 RRQNLWOLVNDEKO-SCZZXKLOSA-N 486.973 4.347 50 10 JIGE Cc1cc(/C=C(\C#N)C(=O)Nc2cnn(CCN(C)C)c2)c(C)n1-c1ccc(Br)cc1 726943531 PLEIRQKDFIIBLP-XDHOZWIPSA-N 481.398 4.160 50 10 JIGE Cc1cc(/C=C(/C#N)C(=O)N[C@H]2CCN(Cc3ccccc3)C2=O)c(C)n1-c1ccc(F)cc1 743720574 FUPVDHUYBCAPDQ-GMPUOFRTSA-N 456.521 4.058 50 10 JIGE CN(C)C1(CNC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)CCCC1 920475131 CFKNQSOCIUAYNC-RGEXLXHISA-N 450.974 4.015 50 10 JIGE C=CCOc1cc(Br)c(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1OC 1084281714 CWEDRDNNSGFNIK-FQEVSTJZSA-N 491.382 4.385 50 10 JIGE CCOc1ccccc1N(CC(=O)NN=Cc1cccc(Cl)c1)S(=O)(=O)c1ccccc1 1084482606 SQOKGKLFABMTGG-UHFFFAOYSA-N 471.966 4.084 50 10 JIGE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NNc1c(F)cc(F)cc1Br 1147944046 RZBJCSLWVBOPOU-LBPRGKRZSA-N 454.699 4.206 50 10 JIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(C)cc2)cc(OC)c1O 1865715004 SPZWNFUHUGHVOZ-GOSISDBHSA-N 486.450 4.200 50 10 JIGE CC(C)CCN1C(=O)c2ccc(C(=O)NC(C)(C)C(=O)Nc3ccc(SC#N)cc3)cc2C1=O 1866618368 IWKKMGZSARRUCJ-UHFFFAOYSA-N 478.574 4.049 50 10 JIGE Cc1c(Br)sc([C@H](Br)[C@@H]2CCS(=O)(=O)C2)c1Br 1922943702 WNGSULWQBJYYIH-HTRCEHHLSA-N 467.042 4.452 50 10 JIGE O=C(NC[C@H](Br)CBr)c1ccc(Br)cc1Br 1981564384 GFQLEWKMYKIQTL-SSDOTTSWSA-N 478.804 4.100 50 10 JIGE BrCC[C@H]1CCCN1c1ncc(I)cc1Br 1988539820 PFKPUYZTJLBCFM-SECBINFHSA-N 459.951 4.203 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC[C@@H]2C[C@]23CCCOC3)C1 2077655446 XAXUXGIQGWVHRO-ZYSHUDEJSA-N 465.372 4.024 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CC[C@H](Br)[C@H]1C1CC1 2130611532 LWNFCKHARBUCLG-QWHCGFSZSA-N 498.984 4.442 50 10 JIGE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2ccc(CBr)cc2)C[C@H]1C(F)(F)F 2163051875 XOAATKGYFJKRMR-KGLIPLIRSA-N 451.283 4.109 50 10 JIGE CN(C1CC(OCc2ccccc2)C1)S(=O)(=O)c1cc(CBr)cc(F)c1F 2179862204 SNJPJJDRWOKBMK-UHFFFAOYSA-N 460.340 4.228 50 10 JIGE COc1ccccc1NC(=O)COc1ccc(C=C(C#N)C(=O)Nc2ccccc2)cc1OC 2294519815 KJNYZECJNCJLOB-UHFFFAOYSA-N 457.486 4.267 50 10 JIGE Cn1cc(C=NNC(=O)c2cccn(Cc3ccc(Cl)c(Cl)c3)c2=O)c2ccccc21 2323651779 GJQIFYXXJKNXSI-UHFFFAOYSA-N 453.329 4.459 50 10 JIGE Cn1ncc(OCc2ccc(I)c(Br)c2)c1CBr 2325190284 PTHLSIUVQIZWBP-UHFFFAOYSA-N 485.945 4.261 50 10 JIGE O=C(c1csc(Br)c1Br)N1CC2(CC[C@H](CBr)O2)C1 2336732282 FSVBCQZEBIFTRF-SSDOTTSWSA-N 474.012 4.042 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2349655827 LWGSZSNWEGBRMD-IRJINJETSA-N 495.711 4.133 50 10 JIGE O=S(=O)(N[C@H](CCBr)COCc1ccccc1)c1cccc(C(F)(F)F)c1 2369430748 IBTTWSMRLUTLMQ-MRXNPFEDSA-N 466.319 4.354 50 10 JIGE C[C@@H](Cl)CN1CCCN(Cc2ccc(I)c(Br)c2)CC1 2377313341 IIRXYJRSKAHOEI-GFCCVEGCSA-N 471.608 4.189 50 10 JIGE Nc1c(NNC(=O)c2ccccc2Br)ncnc1Sc1cccc2cccnc12 40785064 AUCHXEQBZSJUIC-UHFFFAOYSA-N 467.352 4.278 50 10 JIGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccccc3O)n2-c2ccc(C)cc2)cc1 254716720 SFKKQSPSFOGSAE-UHFFFAOYSA-N 473.558 4.199 50 10 JIGE COc1cc(C=NNC(=O)CSc2nnc(SCc3ccccc3)s2)ccc1OC(C)=O 254898120 NDVDBJFWYZRAPO-UHFFFAOYSA-N 488.616 4.007 50 10 JIGE ClCc1cc2ccccc2c(-n2cnc(I)c2I)n1 302432134 LSHOOSOGXDRXPD-UHFFFAOYSA-N 495.489 4.369 50 10 JIGE C[C@H]1CN(Cc2ccccc2)CCCN1S(=O)(=O)c1cc(CCl)ccc1Br 382640221 BEQOYFJYNCATJG-INIZCTEOSA-N 471.848 4.473 50 10 JIGE CO[C@]1(c2cc(OP(=O)(O)O)ccc2Cl)OO[C@]12[C@H]1C[C@H]3C[C@@H]2C[C@@](Cl)(C3)C1 605691683 NOXRGRGCSIAHSL-RZIBCXTOSA-N 451.239 4.129 50 10 JIGE CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)NNC(=O)COc1ccccc1-c1ccccc1)O[C@@H](C)C2 730468781 GACHUSUQRWOGEF-OEOAZWSVSA-N 486.568 4.406 50 10 JIGE CCOc1ccccc1N1CCN(C(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)CC1 914456314 BABCAWDVHZUDIJ-NMWGTECJSA-N 480.572 4.118 50 10 JIGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)N(C)c2ccc3ccccc3c2)cc1 920851007 GWZCGUNPLMVWJF-PXLXIMEGSA-N 479.540 4.157 50 10 JIGE Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NN=Cc3cc(Cl)cc4c3OCOC4)cc2)cc1 1084322825 JRSHIDAHBDBZDN-UHFFFAOYSA-N 485.949 4.080 50 10 JIGE CCOC(=O)c1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1cccc(OC)c1)CCC2 1772747829 RVECSBBFBYUQTE-UHFFFAOYSA-N 489.528 4.496 50 10 JIGE CCc1nn(Cc2ccccc2)c2c1[C@@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865696432 MQEATZJHAQMLMI-IBGZPJMESA-N 451.324 4.180 50 10 JIGE C=CCN(CC=C)S(=O)(=O)c1ccc2nc(NC(=O)/C(C#N)=C/c3ccc(OC)cc3)sc2c1 1866126169 BOWPSFQVOJLYAJ-NBVRZTHBSA-N 494.598 4.213 50 10 JIGE C[C@@H](CBr)N(Cc1ccccc1)C(=O)c1cc(I)sn1 1881736690 AVHGYXPRXIXTAD-JTQLQIEISA-N 465.154 4.174 50 10 JIGE CC(C)(C)OC(=O)N[C@H](CBr)C[C@@H]1N(C(=O)OC(C)(C)C)CC12CCOCC2 1893701212 SXVZBYONJQLMFP-GJZGRUSLSA-N 463.413 4.081 50 10 JIGE O=C(NCCCCCBr)c1ccc(Br)cc1I 2026217816 NBSLNRPFHBIFQT-UHFFFAOYSA-N 474.962 4.349 50 10 JIGE Cc1cc(Br)c([C@H](Br)C2(C)CS(=O)(=O)C2)cc1Br 2036206169 MDUHPLXCYIPDJO-NSHDSACASA-N 461.013 4.391 50 10 JIGE C[C@H]1C[C@H](CBr)CN1C(=O)c1ccc(I)c(Br)c1 2038874200 OCGILCKIBNSRKX-DTWKUNHWSA-N 486.973 4.299 50 10 JIGE CN(C[C@H](Br)COCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1F 2057401622 JDSTTXLVIDSACT-AWEZNQCLSA-N 450.757 4.080 50 10 JIGE O=C(CBr)c1ccc(OC(F)F)c(I)c1C(F)(F)F 2060376656 NNZBYTUPYNAHOZ-UHFFFAOYSA-N 458.946 4.489 50 10 JIGE C[C@@]1(NC(=O)c2cc(I)ccc2Br)CCC[C@H]1Br 2062574541 TWGGXJXBRKICKB-DGCLKSJQSA-N 486.973 4.490 50 10 JIGE O=C(NCCCCI)c1cc(Br)cc(C(F)(F)F)c1 2115770502 BHWUSLJBSCTHQE-UHFFFAOYSA-N 450.036 4.413 50 10 JIGE CN(C)CCCN(Cc1ccccc1)S(=O)(=O)c1cc(CBr)ccc1Cl 2123199120 NTFSOHSMWGTTJW-UHFFFAOYSA-N 459.837 4.378 50 10 JIGE CCc1nc(-c2ncc(Br)cc2Br)nc(O)c1CBr 2130772461 CMBJAVUAARNUQG-UHFFFAOYSA-N 451.944 4.227 50 10 JIGE C[C@H]1CCC[C@@](CBr)(NC(=O)Cc2ccccc2I)C1 2143868853 SOQJJQLCXPLDNM-BLLLJJGKSA-N 450.158 4.294 50 10 JIGE CN([C@@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@@H]21)S(=O)(=O)[C@@H]1CC[C@H](CBr)C1 2190549439 YPHYMFOIYALFIP-LEZSPFLNSA-N 456.446 4.196 50 10 JIGE CN(C[C@H]1C[C@H](Br)C1)C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@]1(C)C(F)(F)F 2196914185 KVYYTASAOHQLQH-NEULZYRMSA-N 457.331 4.054 50 10 JIGE C[C@@]1(CCOCc2ccccc2)CCN1S(=O)(=O)c1cc(CBr)ccc1F 2197755137 RWSBBHBVZFIEAO-FQEVSTJZSA-N 456.377 4.481 50 10 JIGE COc1ccc(Br)cc1S(=O)(=O)N(Cc1ccccc1)C[C@H](C)Br 2214850091 HXXNMSHBBTWJBD-ZDUSSCGKSA-N 477.218 4.432 50 10 JIGE CC[C@H](C)[C@@H](CI)NC(=O)c1c(F)cccc1I 2255924949 BAQXSKMCYOPKGJ-GZMMTYOYSA-N 475.083 4.010 50 10 JIGE CCC(CBr)(CBr)NC(=O)c1cc(F)c(Br)cc1F 2267243811 AVXDDTDPLDCNCR-UHFFFAOYSA-N 463.942 4.396 50 10 JIGE O=C(c1c(F)cccc1I)N1C[C@H]2C[C@@H](Br)CC[C@H]2C1 2282804653 CELJLHPXWMZROJ-AXFHLTTASA-N 452.105 4.066 50 10 JIGE Cc1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)NCCc2ccccc2)cc1 2296543548 LQUGLNVWWQVYJL-UHFFFAOYSA-N 450.498 4.061 50 10 JIGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)NCCc2ccccc2)cc1 2296718437 CTGDZDKNPNLYCR-UHFFFAOYSA-N 464.525 4.370 50 10 JIGE C[C@@]12CN(C(=O)c3ccc(Cl)cc3I)C[C@]1(CBr)C2 2340065045 JBLJUGCFJXDVGG-ZIAGYGMSSA-N 454.533 4.192 50 10 JIGE O=C(c1sccc1I)N1CCC[C@H](Br)[C@@H]1C(F)(F)F 2344128402 OHINYBNKVSPBJX-IMTBSYHQSA-N 468.076 4.283 50 10 JIGE COc1cccc([C@H](C(=O)NC2CCCCC2)N(C[C@@H]2COc3ccccc3O2)C(=O)CCl)c1 3039817 AQVUANODLSKNRH-PXDATVDWSA-N 486.996 4.093 50 10 JIGE CC(C)COc1ccc(C(=O)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)cc1 14030349 AVWIDCVZQUYBRS-UHFFFAOYSA-N 452.338 4.208 50 10 JIGE CCOc1ccc(Br)cc1C(=O)NNC(=O)[C@H](C)Oc1ccc2ccccc2c1 14655105 CAXAFWQFPUESRK-AWEZNQCLSA-N 457.324 4.230 50 10 JIGE CC(C)(C)c1ccc(/C=c2/sc3n(c2=O)C(N)=C(C#N)[C@H](c2ccc(C(C)(C)C)cc2)C=3C#N)cc1 16323078 KZSOBEWKWOJBJP-VVIXHQMUSA-N 494.664 4.456 50 10 JIGE COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1ccc(Br)o1 33332629 KKGBJSAZJIQWDH-NTEUORMPSA-N 471.263 4.086 50 10 JIGE CCCCNC(=O)/C(C#N)=C\c1ccc(OCC(=O)Nc2ccccc2OCC)c(OCC)c1 33535864 JCWVRPHBWKTBDZ-HKWRFOASSA-N 465.550 4.325 50 10 JIGE COc1ccc2nc(Nc3ncnc(NNC(=O)c4cccc(Cl)c4)c3[N+](=O)[O-])sc2c1 40657602 UEDVRYVESNXMSK-UHFFFAOYSA-N 471.886 4.157 50 10 JIGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cc(Cl)c(OCC#N)c(Cl)c2)cc1 58893921 QXEZGGFKVBNUFT-HUHXJTTESA-N 450.322 4.258 50 10 JIGE CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)CCc2ccc(OCC)c(OC)c2)c(OC)c1 207168373 OCPWNYPPVOOONW-UYRXBGFRSA-N 453.491 4.111 50 10 JIGE CCOC(=O)[C@@H]1C[C@H](I)[C@@H](OCc2cccc(Br)c2)C1 231319481 CGIYDDZDWRDIJU-XBFCOCLRSA-N 453.114 4.111 50 10 JIGE O=C(CNc1c(Br)cc(Cl)cc1Br)NN=Cc1ccc([N+](=O)[O-])cc1 252629143 TZGLGIWWKRFWSU-UHFFFAOYSA-N 490.539 4.335 50 10 JIGE CCN(CC)c1ccc(C=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2CC)c(O)c1 254578403 CQDHKAVVKLPQNC-UHFFFAOYSA-N 466.611 4.068 50 10 JIGE Cn1ncc([C@H](Cl)c2cc3c(cc2Br)OCC3)c1I 308422696 ZXQIFTXIENZKCF-GFCCVEGCSA-N 453.505 4.050 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2CCC[C@@H](Br)[C@H]2C)cc1Br 384427150 BPWOLLNIXXTYRD-NXEZZACHSA-N 490.055 4.457 50 10 JIGE C[C@@H]1CC[C@@H](CBr)CN1S(=O)(=O)c1cc(Br)ccc1Br 688693323 OJZJJXZSLBUNEH-ZJUUUORDSA-N 490.055 4.396 50 10 JIGE C[C@]12CN(Cc3ccccc3)C[C@H]1CN(S(=O)(=O)c1cc(CCl)sc1Br)C2 702082695 RJVJSLDPCZKDOO-HNAYVOBHSA-N 489.888 4.392 50 10 JIGE O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)C1CCN(c2nc3ccccc3s2)CC1 727296762 YIBWNMWWLINFAP-UHFFFAOYSA-N 452.624 4.267 50 10 JIGE CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NNC(=O)CCCc1ccccc1 727860954 WSCAFFNLSIWYIJ-HXUWFJFHSA-N 464.393 4.308 50 10 JIGE CCOc1cc(C=NNC(=O)CC#N)c(Br)cc1OCc1ccccc1Cl 1084243283 LOLAQVHYYWIUIS-UHFFFAOYSA-N 450.720 4.444 50 10 JIGE NNC(=O)/C=C\c1cc(Cl)c(OCc2cccc(Br)c2)c(Br)c1 1084253208 LBKKGDPSANJEID-PLNGDYQASA-N 460.553 4.447 50 10 JIGE O=C(NN=Cc1cc(Br)cc(Br)c1O)c1cc(Br)ccc1O 1084433419 FLJOPACDELYPRV-UHFFFAOYSA-N 492.949 4.149 50 10 JIGE C=CCSc1ccccc1C(=O)NNC(=O)[C@H]1Cc2ccccc2CN1Cc1ccccc1 1542452304 ADLVBQWJVRBQMQ-XMMPIXPASA-N 457.599 4.353 50 10 JIGE COc1cccc(OC)c1[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CI 1614625198 XEQCFIYRIOBODO-IRXDYDNUSA-N 481.330 4.491 50 10 JIGE COc1cc(C(=O)Nc2cc(C(=O)Nc3ccc(SC#N)cc3)ccn2)cc(OC)c1OC 1860507148 ZQSAILFHKOJKTL-UHFFFAOYSA-N 464.503 4.185 50 10 JIGE CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1cc(OC)c(OC)c(OC)c1)C(C#N)=C(N)O2 1865693788 YZDUQWIUJMWPQF-JOCHJYFZSA-N 460.534 4.377 50 10 JIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3C)ccc1OC(=O)c1ccc(Cl)cc1Cl 1865705311 RPHXQZJSVOEGCH-HXUWFJFHSA-N 485.327 4.481 50 10 JIGE CCc1cccc(C)c1N1C[C@H](C(=O)NNC(=O)c2ccc(-c3ccc(F)cc3F)nc2C)CC1=O 1865759637 KNXZCLWWEBYPCL-GOSISDBHSA-N 492.526 4.020 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCNC1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 1985347421 RVYXGQIXHNGNKH-ALOPSCKCSA-N 461.694 4.413 50 10 JIGE C=CC[C@H](CBr)CNC(=O)c1ccc(I)c(Br)c1 2082047222 QGUAYHSDODYYHB-SECBINFHSA-N 486.973 4.371 50 10 JIGE CN(CC(F)(F)CBr)C(=O)c1ccc(Br)cc1I 2086144886 FZEMXTKRDJNNTL-UHFFFAOYSA-N 496.915 4.156 50 10 JIGE O=C(NC[C@]1(CBr)CCCOC1)c1csc(Br)c1Br 2093946775 IREIUHMYVBRCSG-GFCCVEGCSA-N 476.028 4.195 50 10 JIGE O=C(c1c(Br)cccc1Br)N1C[C@H](CBr)C2(CC2)C1 2094094461 BZXIYYQFOILAAC-VIFPVBQESA-N 451.984 4.459 50 10 JIGE O=C(c1cc(Br)cc(Br)c1)N1C[C@@H]2C[C@@H](CBr)[C@@H]2C1 2117687835 CSRPRZHPCFJMAC-KWBADKCTSA-N 451.984 4.315 50 10 JIGE CC[C@@H](C)[C@H](CI)NS(=O)(=O)c1ccc(Br)cc1Cl 2136492385 MAILDDIYSVURLV-KCJUWKMLSA-N 480.593 4.231 50 10 JIGE C[C@@H]1CCS[C@H]1CN(C)S(=O)(=O)c1cc(CBr)sc1Br 2179784521 ADCNTQMBWQFQSF-SCZZXKLOSA-N 463.282 4.168 50 10 JIGE O=S(=O)(N[C@H]1C[C@@H]([C@H](F)CBr)C1)c1cc(Br)ccc1Br 2199123630 FBZNTJFZUNGGSW-POZPLHJXSA-N 494.018 4.002 50 10 JIGE O=C(NC[C@@]12CCC[C@@]1(CBr)C2)c1ccc(F)cc1I 2208039612 MAVIBTNABPDAAF-GJZGRUSLSA-N 452.105 4.115 50 10 JIGE CC1(C)OCCN(Cc2cc(Cl)ccc2I)[C@@H]1CBr 2267679940 OMHJPRMIQJQWPK-CYBMUJFWSA-N 458.565 4.319 50 10 JIGE O=C(N[C@@H]1C[C@H](CBr)[C@@H]2C[C@H]12)c1ccc(Cl)c(I)c1 2268358360 YZBKZYNHWZUHLR-KEPMVKOISA-N 454.533 4.094 50 10 JIGE COc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)NCc2ccccc2)cc1 2296719467 XSARKUQPNYCHNB-UHFFFAOYSA-N 466.497 4.027 50 10 JIGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)cc(I)c1OCC(=O)O 2297368524 SNLDGBZXNCHARV-UHFFFAOYSA-N 469.662 4.481 50 10 JIGE COc1cc(C=C(C#N)c2nn(-c3ccccc3)c(N)c2C#N)ccc1OC(=O)c1ccco1 2297535168 IAWKMASNTAORPZ-UHFFFAOYSA-N 451.442 4.211 50 10 JIGE COc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314531578 CMHDKXFLTGHSAI-UHFFFAOYSA-N 482.496 4.358 50 10 JIGE CCN(C[C@@](C)(CI)OC[C@H]1CO[C@]2(C)C[C@H]1C2)C(=O)OC(C)(C)C 2318558325 TWWZFBYAWUIFIX-VVWQDTPRSA-N 467.388 4.269 50 10 JIGE O=C(c1ccccc1I)N1CC[C@@H](Br)C[C@H]1C(F)(F)F 2361452277 JOHPLSIQCLCEAS-KCJUWKMLSA-N 462.047 4.222 50 10 JIGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)cc1 38683527 GESQUEMJPFOWDI-MYYSRTQBSA-N 488.471 4.203 50 10 JIGE Nc1c(NNC(=O)COc2ccc(Cl)cc2Cl)ncnc1Nc1cccc(Br)c1 40795498 BKEXDGKKDOYWAY-UHFFFAOYSA-N 498.168 4.394 50 10 JIGE CCc1cc(Br)ccc1OCC(=O)N/N=C/c1cc(Br)c(O)c(OC)c1 40959796 HIHQYIUICUVJNH-ZVBGSRNCSA-N 486.160 4.017 50 10 JIGE CCC(CC)(CBr)NS(=O)(=O)c1cc(Br)ccc1Br 136601607 DGPBDNFBJMRRLZ-UHFFFAOYSA-N 478.044 4.444 50 10 JIGE CC(C)Oc1c(Br)cc(/C=N\NC(=O)c2cccc(N)c2)cc1Br 169894295 RJMYMJILXMAKTQ-NKVSQWTQSA-N 455.150 4.345 50 10 JIGE CCOC(=O)c1cnn(-c2cc(C)c3cccc(OC)c3n2)c1NC(=O)/C(C#N)=C/c1ccccc1 170536318 UKJDPSKUHHCXJD-XMHGGMMESA-N 481.512 4.460 50 10 JIGE Fc1cc2c(cc1I)nc(CCCl)n2C[C@H]1CSCCS1 229629143 VOGMNSINPPXREN-VIFPVBQESA-N 456.777 4.410 50 10 JIGE CC(=NNC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1)c1cccs1 252630271 UYHNRJORNBIWHG-UHFFFAOYSA-N 455.605 4.409 50 10 JIGE CCCOc1ccc(C=NNC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)cc1OC 254503834 GTHAJHDDPZYNPZ-UHFFFAOYSA-N 476.558 4.073 50 10 JIGE O=C(NN=Cc1sc(N2CCCCC2)nc1-c1cccs1)[C@@H]1COc2ccccc2O1 254825868 RNZUBFLHCQVSNR-KRWDZBQOSA-N 454.577 4.152 50 10 JIGE C[C@@]1(CBr)CCN(C(=O)c2cc(Br)ccc2I)C1 381472135 LKZBJYHCHHTXIL-ZDUSSCGKSA-N 486.973 4.301 50 10 JIGE Nc1ccc(I)cc1[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1CCl 382731160 UOJVUTPWULSXRN-RHSMWYFYSA-N 470.738 4.464 50 10 JIGE C[C@@H](Cl)c1nnc(Nc2cc(I)cc(I)c2)o1 690422096 WBDFWDPUJTYCEV-RXMQYKEDSA-N 475.455 4.322 50 10 JIGE Cc1nn(-c2ccccc2)c(C)c1CNC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1 914464501 DHEYBOLPRIFLPJ-XQNSMLJCSA-N 475.556 4.490 50 10 JIGE COc1ccc(S(=O)(=O)Oc2ccc(C=NNC(=O)c3cc4ccccc4cc3O)cc2)cc1 1082753720 CXCVPDNNKJZPTC-UHFFFAOYSA-N 476.510 4.086 50 10 JIGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Cl)c(O)c(Br)c2)cc1 1084044308 HVASTUIKCNAANT-KRWDZBQOSA-N 455.736 4.171 50 10 JIGE C=CC[C@H]1CCCN(C(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(OC)c(OC)c2)C1 1146474802 IIRYXFCCSXCLSC-BJLUOBIUSA-N 459.550 4.203 50 10 JIGE COC(=O)c1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc([N+](=O)[O-])c2)CCC3)cc1 1772745828 JGWLXOWEQQDAAZ-UHFFFAOYSA-N 490.472 4.006 50 10 JIGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(OC)c1)C(C#N)=C(N)O2 1865706544 ZBEITAFYRCLQPN-NRFANRHFSA-N 450.926 4.470 50 10 JIGE COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2Cl)cc1OC 1865710700 FOEANDLMPOWVBA-JOCHJYFZSA-N 466.925 4.137 50 10 JIGE CCN(CC)C(=O)COc1ccc(/C=N\NC(=O)c2ccc(-c3ccc(OC)cc3)nc2C)cc1 1865761950 FGNZQSTXQCSKLF-QRQIAZFYSA-N 474.561 4.077 50 10 JIGE O=C(c1csc(I)c1)N(CCBr)Cc1ccsc1 2051447554 XIWITXXKWKTVLS-UHFFFAOYSA-N 456.168 4.452 50 10 JIGE CCOc1cc(OC(F)(F)F)c(I)cc1C(=O)CBr 2055052786 AIVMFMYPMCVNCH-UHFFFAOYSA-N 452.992 4.166 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CC[C@@](F)(CBr)C1 2086148042 VYRWZEVMAKGZGH-GFCCVEGCSA-N 490.936 4.003 50 10 JIGE CC1CC(CBr)(NC(=O)c2ccc(Br)cc2I)C1 2086150152 XEFYNQDOTGNBKV-UHFFFAOYSA-N 486.973 4.347 50 10 JIGE CCCN1CC[C@@H]([C@@H](Br)c2cc(Br)c(Cl)s2)S1(=O)=O 2115930530 NZMOFKNDSBHVPU-UWVGGRQHSA-N 451.633 4.414 50 10 JIGE CC[C@@H]1CN(S(=O)(=O)Cc2cccc(CBr)c2)CCN1Cc1ccccc1 2179788605 FDONFPTXTPTZFW-OAQYLSRUSA-N 451.430 4.008 50 10 JIGE C[C@H]1CN(Cc2ccccc2)C[C@@H](C)CN1S(=O)(=O)c1cccc(CBr)c1 2179821471 KZFCFZSYWIYSMP-MSOLQXFVSA-N 451.430 4.113 50 10 JIGE O=C(c1cc(I)ccc1F)N1[C@H]2CC[C@@H]1C[C@H](CBr)C2 2184585401 JYABRUHRCZGCRV-YHPBZONMSA-N 452.105 4.208 50 10 JIGE C[C@H](NC(=O)c1cc(Cl)ccc1I)c1nnc(CBr)s1 2192615159 HXMORXOIXCQSHP-LURJTMIESA-N 486.560 4.182 50 10 JIGE Cc1ccc(I)c(C(=O)N2CC(F)(F)C[C@@]2(C)CBr)c1 2240923474 QANXJLJDHQWCGS-ZDUSSCGKSA-N 458.084 4.234 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OC2(C(C)(C)C)COC2)C1 2250826225 LLTXLYXQUBHMNG-KRWDZBQOSA-N 453.361 4.023 50 10 JIGE CCN(C[C@](C)(CI)OC1(c2ccccc2)COC1)C(=O)OC(C)(C)C 2272886793 QVWRFVLFYIVMNC-IBGZPJMESA-N 475.367 4.379 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@H]2[C@H](Br)CC[C@H]2C1 2295307917 QPBGGIDCMDPBFK-ZLKJLUDKSA-N 466.011 4.386 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N[C@H](CBr)c1cscn1 2295311337 JMDRYKDEEYOOML-LLVKDONJSA-N 483.023 4.463 50 10 JIGE CCOc1ccc(-c2csc(C(C#N)=C(O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)cc1 2331305645 CMMYJJPDJHNFHJ-UHFFFAOYSA-N 476.470 4.206 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1CC2(CC2)C[C@H]1CBr 2340052914 UUIRNPQAXVZRGN-JTQLQIEISA-N 454.533 4.334 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]21 2350100063 UOUANGUQDXUKJV-UECWXEIQSA-N 496.695 4.321 50 10 JIGE CC(C)COc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(NC(=O)C(C)C)cc1 14667020 ORJJBKBPCDCULG-UHFFFAOYSA-N 476.371 4.153 50 10 JIGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)COc2cccc(C)c2C)c(Br)c1 14832363 DGOPXVFDNVAEFY-AWEZNQCLSA-N 463.372 4.185 50 10 JIGE Cc1c(C(=O)NCCCn2ccnc2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 40813665 MOVZWZLBUPBZSY-MTDXEUNCSA-N 488.375 4.382 50 10 JIGE COc1cc(/C=N/NC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)ccc1OCC(=O)O 59158464 MFEMJRYGZHIBHD-LQKURTRISA-N 476.529 4.014 50 10 JIGE C[C@H](CBr)CCCNS(=O)(=O)c1cc(Br)ccc1Br 228310164 ZXRHAROELNCOFU-VIFPVBQESA-N 478.044 4.301 50 10 JIGE O=S(=O)(N[C@@H]1CCC[C@@H]1CBr)c1cc(Br)ccc1Br 231618845 FBDOYOSUDBPBDJ-LDYMZIIASA-N 476.028 4.054 50 10 JIGE CN(c1ccc(C(=O)NN=Cc2ccccc2C(F)(F)F)cc1)S(=O)(=O)c1ccccc1 254442192 YCUIHODBXRZCOG-UHFFFAOYSA-N 461.465 4.294 50 10 JIGE C[C@@H]1CCN(S(=O)(=O)c2cc(CCl)ccc2Br)CCN1Cc1ccccc1 382648136 QMWUPPKORNRLLJ-MRXNPFEDSA-N 471.848 4.473 50 10 JIGE Cn1ncc([C@@H](Cl)c2cc(Br)cc3c2OCCC3)c1I 688415749 MFRFOKMTCIDLKD-LBPRGKRZSA-N 467.532 4.440 50 10 JIGE O=S(=O)(CCOc1c(Br)cc(Br)cc1CCl)C(F)(F)F 697046827 VWIWYIMCLUVBLJ-UHFFFAOYSA-N 460.493 4.264 50 10 JIGE C[C@H]1C[C@@H](Br)CCN1C(=O)c1cc(I)ccc1Br 705451220 WWAAAXYSEBYKHS-IUCAKERBSA-N 486.973 4.442 50 10 JIGE C[C@H]1CCc2sc(C(=O)NNC(=O)/C(C#N)=C\c3cn(CCC#N)nc3-c3ccccc3)cc2C1 914462256 GPQNPVPYQLFBQI-IZQLPPHKSA-N 484.585 4.018 50 10 JIGE N#CCCn1cc(/C=C(/C#N)C(=O)NNC(=O)c2cc3c(s2)CCCCC3)c(-c2ccccc2)n1 914462629 BBNXKJRFRJQDFC-ZHZULCJRSA-N 484.585 4.162 50 10 JIGE Cc1ccc(OCC(=O)NN=C2C(=O)N(Cc3cccc([N+](=O)[O-])c3)c3ccccc32)cc1Cl 1084229179 MQTICGOCFYJUKM-UHFFFAOYSA-N 478.892 4.003 50 10 JIGE CCCCCn1nc(C(=O)NNC(=O)C2(c3ccc(Cl)cc3)CCC2)c2ccccc2c1=O 1087060312 HIODATUHDLPNFU-UHFFFAOYSA-N 466.969 4.123 50 10 JIGE O=C(CCn1ncc(=O)c2ccccc21)NNC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12 1087866901 JQGUTQLGYNPTRJ-UHFFFAOYSA-N 497.942 4.116 50 10 JIGE Cc1c(C(=O)NNC(=O)c2cccc(Cl)c2)oc2c1C(=NNC(=O)c1ccccc1Cl)CCC2 1772744125 QKQNCWMHDYZUFH-UHFFFAOYSA-N 499.354 4.440 50 10 JIGE CC(C)(C)OC(=O)NCCCCCC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1 1873795387 GGTYSKYSOMTNCZ-MTDXEUNCSA-N 482.581 4.239 50 10 JIGE CN(CC1CC(Br)C1)S(=O)(=O)c1cc(CCl)sc1Br 1887894126 YBMGSFRPGZMZDQ-UHFFFAOYSA-N 451.633 4.043 50 10 JIGE CC1(C)[C@@H](Br)CCN1c1ncc(I)cc1Br 1988539310 GRDHNIHSRGZDTE-VIFPVBQESA-N 459.951 4.201 50 10 JIGE CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)C(=O)c2ccc(CBr)cc2)C1 1999365340 ORNDUPOPTZWNIB-UHFFFAOYSA-N 489.410 4.206 50 10 JIGE O=C(c1cc(Br)ccc1Br)N1CC[C@@H]2[C@H](CBr)[C@H]2C1 2093138093 QJNKSRVWAXYEMS-USWWRNFRSA-N 451.984 4.315 50 10 JIGE C[C@@H]1CN(C(=O)c2cc(I)ccc2Br)CC[C@@H]1CCl 2109040195 RRJAYFAVLVJVDN-NXEZZACHSA-N 456.549 4.391 50 10 JIGE C[C@@H]1CN(C(=O)c2cc(Br)sc2Br)C[C@@H](CCBr)O1 2122793701 XZOMTXQLWFHOJW-HTQZYQBOSA-N 476.028 4.288 50 10 JIGE CN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(CBr)ccc1Cl 2123209134 GPJVOIMVVYDVSY-QGZVFWFLSA-N 457.821 4.130 50 10 JIGE Cc1cc(S(=O)(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)sc1CBr 2123242745 AIIGOBVBQAPZLN-MRXNPFEDSA-N 457.459 4.237 50 10 JIGE O=S(=O)(c1cc(Cl)c(Br)s1)N1C[C@H]2CCC[C@@]2(CBr)C1 2159404883 MAUYLMZCGMVLQH-PRHODGIISA-N 463.644 4.350 50 10 JIGE C[C@]1(CCOCc2ccccc2)CCN1S(=O)(=O)c1ccc(CBr)cc1F 2197750970 BBJGEWPTNJDNJP-HXUWFJFHSA-N 456.377 4.481 50 10 JIGE N#CC(=Cc1c[nH]nc1-c1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 2295650080 UKUPGATWKJJHDJ-UHFFFAOYSA-N 494.533 4.019 50 10 JIGE COc1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1 2296543690 YPHJCPDDOCPTFU-UHFFFAOYSA-N 493.928 4.487 50 10 JIGE CCCOc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc3c(c2)OCO3)cc1 2296734176 MJJFSVPDSFRKMP-UHFFFAOYSA-N 471.513 4.125 50 10 JIGE O=C(C=Cc1ccccc1Cl)NC(=S)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 2313620933 BXUKVACXQGASOM-UHFFFAOYSA-N 485.009 4.208 50 10 JIGE Clc1ccc(CN2CC[C@H](OCCCBr)C2)cc1I 2337218652 KWGLEFMAFBIHKM-LBPRGKRZSA-N 458.565 4.321 50 10 JIGE Cc1ccccc1[C@H](C(=O)NC1CCCCC1)N(C[C@H]1COc2ccccc2O1)C(=O)CCl 3036184 BQYMVBJPTNUETO-NBGIEHNGSA-N 470.997 4.392 50 10 JIGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)COc3cc(C)c(Cl)c(C)c3)cc2)c1 13980163 HGXWFWIRNMSKLB-UHFFFAOYSA-N 465.937 4.358 50 10 JIGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)NC[C@@H]3CCCO3)c(Oc3ccc(Cl)cc3Cl)nc12 34705914 KOHSSXBUQJBTLN-MJSCBBHESA-N 499.354 4.304 50 10 JIGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2cn[nH]c2-c2cccc([N+](=O)[O-])c2)sc(C)c1C 35516559 IOXGVIPQIAZKQZ-NVNXTCNLSA-N 465.491 4.386 50 10 JIGE COc1ccc(OC)c(Nc2ncnc(NNC(=O)c3cccc4ccccc34)c2[N+](=O)[O-])c1 40619472 DEVHOKFPZMPISJ-UHFFFAOYSA-N 460.450 4.056 50 10 JIGE Cc1cc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCC3)no1 40813488 RNCSDGCLDYXGOL-ZVHZXABRSA-N 471.857 4.169 50 10 JIGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1cccc(CC)c1 40934878 VKNMXNQFMQQEGN-FYJGNVAPSA-N 474.513 4.448 50 10 JIGE COc1cc(C(=O)N/N=C/c2ccc(-c3ccc(Br)cc3)o2)cc(OC)c1OC 59392397 SXHXELFDUKTFCO-FSJBWODESA-N 459.296 4.499 50 10 JIGE O=C(NNC(=O)c1ccc[nH]/c1=N\c1cccc(F)c1)c1cn(-c2ccccc2)nc1-c1ccccc1 107923355 NDVCRNJEXGCZHO-UHFFFAOYSA-N 492.514 4.314 50 10 JIGE C[C@@H](Br)C(C)(C)NS(=O)(=O)c1cc(Br)ccc1Br 145754403 BATGCNLQOPDUOG-SSDOTTSWSA-N 464.017 4.052 50 10 JIGE C[C@H](CBr)[C@H](C)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 167740314 YNZJRPLMQWAGLL-RQJHMYQMSA-N 454.011 4.454 50 10 JIGE COc1ccc(C=NNC(=O)c2cccc([N+](=O)[O-])c2)cc1COc1cccc2cccnc12 252624284 PKPPUZSEWFQXRX-UHFFFAOYSA-N 456.458 4.495 50 10 JIGE COc1cc(C(=O)Oc2cccc(C=NNC(=O)COc3ccc(C)c(C)c3)c2)cc(OC)c1OC 254386794 XNHVQHOSVUQOHM-UHFFFAOYSA-N 492.528 4.078 50 10 JIGE Cc1ccc(C(=O)NCC(=O)NN=Cc2ccc(OC(=O)c3cccc4ccccc34)cc2)cc1 254478344 TYCXQGUKNUIRST-UHFFFAOYSA-N 465.509 4.248 50 10 JIGE COc1cccc(C=NNC(=O)CCCCCCCC(=O)NN=Cc2cccc(OC)c2)c1 254704767 FKEHJNBFDZVDBE-UHFFFAOYSA-N 452.555 4.035 50 10 JIGE O=C(Oc1ccc(C=NNC(=O)c2ccc(O)cc2O)c(OC(=O)c2ccccc2)c1)c1ccccc1 263625591 IZWFWLHSLPHLHX-UHFFFAOYSA-N 496.475 4.300 50 10 JIGE C[C@@H](Br)c1cn(-c2ccc(I)cc2Br)nn1 300919989 XPXFGSUMDNVYGP-ZCFIWIBFSA-N 456.907 4.090 50 10 JIGE Cc1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)c(N)c1 382732577 VFVFZWKSVFVLAR-SJLPKXTDSA-N 450.320 4.364 50 10 JIGE CC1(C)C[C@H](Br)CCN(C(=O)c2ccc(F)cc2I)C1 395330869 GJJHFKNPKOTEJU-SNVBAGLBSA-N 454.121 4.456 50 10 JIGE O=C(N[C@@H](CBr)CC(F)F)c1cc(Br)ccc1I 717776155 JRXSZLKUJRSYRK-SSDOTTSWSA-N 496.915 4.202 50 10 JIGE O=C([C@H](Br)Cc1ccccc1Br)N1CCN(c2ccccc2)CC1 1858181037 DXDLQJIFJPNQPQ-GOSISDBHSA-N 452.190 4.104 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccn2)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865705945 KDLCJFDJARVLAW-CQSZACIVSA-N 462.775 4.066 50 10 JIGE COc1ccc(CCN2C[C@H](/C(O)=C(\C#N)c3nc(C(C)(C)C)cs3)CC2=O)cc1OC 1872748708 JWJAWFAKBWXRPR-ZESIPNTPSA-N 455.580 4.342 50 10 JIGE O=C(NOCCCNC(=O)[C@H]1C[C@H](Br)C1)OCC1c2ccccc2-c2ccccc21 1883533922 XTZJTCBLGZCAPK-WKILWMFISA-N 473.367 4.137 50 10 JIGE O=C(c1cc(Br)c(Br)s1)N1C[C@@H](Br)[C@H](Br)C1 1897061058 RJAONEJASHMGMT-PHDIDXHHSA-N 496.844 4.256 50 10 JIGE O=C(c1csc(Br)c1Br)N1C[C@H](Br)C[C@@]2(CCCO2)C1 1924242305 PJZPZKDGQBHWDG-OQPBUACISA-N 488.039 4.432 50 10 JIGE CCc1c(I)ccc(I)c1CBr 2060220815 FCEQLGUUIBFYAZ-UHFFFAOYSA-N 450.883 4.353 50 10 JIGE C[C@H]1CCN(C(=O)c2ccc(Br)cc2I)[C@H]1CBr 2086146496 ALIOLSGFNTYWKN-UFBFGSQYSA-N 486.973 4.299 50 10 JIGE CC1CC(CBr)(CNS(=O)(=O)c2cc(Br)ccc2Br)C1 2185166988 ZXJBDNHGJAZVRG-UHFFFAOYSA-N 490.055 4.301 50 10 JIGE CN(CC(=O)Nc1ccc(Br)cc1Br)C[C@H]1C[C@H](Br)C1 2196935307 XFGXIHSGOCLAMZ-HOMQSWHASA-N 469.015 4.255 50 10 JIGE O=C(c1c(Br)cccc1Br)N1CC[C@@H](OCCCBr)C1 2207037707 LNIODFBRZCSLME-SNVBAGLBSA-N 469.999 4.228 50 10 JIGE O=C(c1cc(Br)c(Br)s1)N1C[C@H]2OCCC[C@]2(CBr)C1 2238793505 DUGNYWNEJMCGDZ-MFKMUULPSA-N 488.039 4.289 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1C[C@@H]2CC[C@@H](Br)[C@H]2C1 2268351377 WOFOMGAYVGEKTQ-GARJFASQSA-N 454.533 4.190 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1C[C@@H]2CC[C@H](C1)C2Br 2268353740 NQMXYHNAOYGQMB-HWYHXSKPSA-N 454.533 4.190 50 10 JIGE O=C(Cc1ccc(Br)cc1)NN=Cc1cccc(OC(=O)C=Cc2ccco2)c1 2294457467 HDZSVVQPRIMRHR-UHFFFAOYSA-N 453.292 4.354 50 10 JIGE COc1ccc(CCN2C(=O)C(=CNc3ccc(Cl)cc3)C(C)=C(C#N)C2=O)cc1OC 2314585541 CWEANRVWTGEMIM-UHFFFAOYSA-N 451.910 4.105 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@@]2(CBr)CC[C@H]1C2 2336462748 HIYLDRMIBFPODG-HZMBPMFUSA-N 498.984 4.443 50 10 JIGE ClC[C@H]1CC[C@@H](CNCc2ccc(I)c(Br)c2)OC1 2349858139 OXBNVSRNLAQMPN-NEPJUHHUSA-N 458.565 4.177 50 10 JIGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)c(C)c2)cc1 14029049 ZYNMKMDCZFDKHS-UHFFFAOYSA-N 478.014 4.322 50 10 JIGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(C)c4)ccc32)cc(OC)c1OC 38660429 ONYZIULTGAUJOZ-XMMPIXPASA-N 472.497 4.458 50 10 JIGE Cc1c(C(=O)Nc2ccccn2)oc2c1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 40823304 GAPCKOUSWBCRNU-VYVUJPJFSA-N 480.340 4.225 50 10 JIGE COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)OCC(=O)Nc3ccccc3OC)c2C)cc1 209373622 BUOVRHMYSHQRGQ-ZHZULCJRSA-N 459.502 4.200 50 10 JIGE CSCC[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1)C(=O)NN=Cc1c(F)cccc1Cl 254762740 KULMOCUVTKMXMZ-QGZVFWFLSA-N 475.895 4.500 50 10 JIGE N#Cc1c(NC(=O)C(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccccc2)sc2c1CCCC2 254816048 KOBOHKDZBRGATI-UHFFFAOYSA-N 494.580 4.440 50 10 JIGE CCOC(=O)O[C@]1(C(=O)CCl)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@@]21C 725239783 AXXPSUGJNHPWJA-VTFYZQLFSA-N 485.404 4.346 50 10 JIGE O=C(NCc1ccc(OCCOc2ccc(Cl)cc2)cc1)NNC(=O)c1cccc2cccnc12 728219138 PNWJVEFKOKYGGQ-UHFFFAOYSA-N 490.947 4.490 50 10 JIGE CC(C)N1CCC(NC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)CC1 914751073 AKDWTKVFXXLMAN-RGEXLXHISA-N 450.974 4.013 50 10 JIGE N#CCCn1cc(/C=C(\C#N)C(=O)Oc2ccc(N3CCCC3=O)cc2)c(-c2ccccc2)n1 917029548 DTRKOCNWQMJWRV-CAPFRKAQSA-N 451.486 4.103 50 10 JIGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(C)n(-c3ccccc3C(=O)OC)c2C)cc1 1084161834 YRJFSGYVZUYURQ-RUZDIDTESA-N 477.561 4.243 50 10 JIGE O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NN=Cc1cccc(Cl)c1 1084284995 XGONYZINRFIHQJ-UHFFFAOYSA-N 476.385 4.335 50 10 JIGE CC(C)(C)[C@H]1CCc2sc(C(=O)NNC(=O)[C@H]3CCCN3C(=O)c3cccs3)cc2C1 1087356436 HTCIESYEGWNFGF-JKSUJKDBSA-N 459.637 4.026 50 10 JIGE N#CCCn1cc(/C=C(/C#N)C(=O)OCc2ccc(C(=O)N3CCCC3)cc2)c(-c2ccccc2)n1 1248382178 HZOQJYBEOFAQFQ-ULJHMMPZSA-N 479.540 4.350 50 10 JIGE C=CCSc1ccccc1C(=O)NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 1440584022 AICIDRJFZIFKCQ-UHFFFAOYSA-N 455.543 4.287 50 10 JIGE CCCCCCc1ccc(S(=O)(=O)N2CCN(C(=O)Oc3ccc([N+](=O)[O-])cc3F)CC2)cc1 1858629238 VYVKEJDQQIXRAO-UHFFFAOYSA-N 493.557 4.362 50 10 JIGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCN3C(=O)c4ccccc4C3=O)n2)c(OC)c1OC 1872759153 GCXNUMFCDTWTEF-ZPHPHTNESA-N 491.525 4.315 50 10 JIGE CS(=O)(=O)C1([C@H](Br)c2sc(Cl)cc2I)CC1 1901029105 RDQRVZKYSAPYMP-MRVPVSSYSA-N 455.564 4.019 50 10 JIGE FC(F)(CBr)CCNc1ncc(I)cc1Br 1988534875 QAJYEYVFAMVDTG-UHFFFAOYSA-N 469.893 4.281 50 10 JIGE O=C(N[C@H]1CC[C@H](Br)C1)c1cc(Br)ccc1I 2008594194 MHKFJVGAASKVFP-CBAPKCEASA-N 472.946 4.100 50 10 JIGE CCOc1ccccc1N1CCN(CC(=O)C(C#N)=C2NC(c3ccc(Cl)cc3)=CS2)CC1 2042434741 ZHYXAYTYDRFMRZ-UHFFFAOYSA-N 481.021 4.500 50 10 JIGE BrC[C@@H]1C[C@@H]2OCC[C@@H]2N1Cc1cccc(Br)c1Br 2092331908 ZHWXIVIFLTXLLI-DRZSPHRISA-N 454.000 4.338 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CC2(CC2)C[C@@H]1CBr 2142281328 OVLXWNYUVQNLOT-SNVBAGLBSA-N 498.984 4.443 50 10 JIGE CCCN1CC[C@@H]([C@@H](Br)c2ccc(Br)cc2Br)S1(=O)=O 2145775126 ZQHOCSIIJXDIEN-STQMWFEESA-N 490.055 4.462 50 10 JIGE CC(C)(C)OC(=O)N1C[C@@H](NS(=O)(=O)c2ccc(CBr)cc2)CCC1(C)C 2162591522 LLYOVROAYDSYHD-HNNXBMFYSA-N 461.422 4.038 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2CCCC[C@@H](Br)C2)cc1Br 2169218493 OERWDZUPISETLS-SNVBAGLBSA-N 490.055 4.458 50 10 JIGE CN(Cc1ccccc1)[C@H]1CCCCN(S(=O)(=O)C2CCC(CBr)CC2)C1 2179829518 BUOYOGCSBCMSIM-CKHPTIKVSA-N 457.478 4.256 50 10 JIGE CN(Cc1ccccc1)[C@@H]1CCCCN(S(=O)(=O)C2CCC(CBr)CC2)C1 2179829519 BUOYOGCSBCMSIM-VEDCXYSMSA-N 457.478 4.256 50 10 JIGE Cc1c(F)cc(CBr)cc1S(=O)(=O)N(C)[C@H]1CC[C@H]1OCc1ccccc1 2179858095 JVDKKNHBBSYGDU-RBUKOAKNSA-N 456.377 4.397 50 10 JIGE N#Cc1cc(I)c(OCCCCCI)c([N+](=O)[O-])c1 2227432236 WPEWKOUNSKARPE-UHFFFAOYSA-N 486.047 4.055 50 10 JIGE Cc1cccc(C(CBr)(CBr)Cc2nn(C)nc2Br)c1 2235293210 KAJIVOAADHXGIP-UHFFFAOYSA-N 466.015 4.156 50 10 JIGE N#CC(=Cc1ccc(OC(F)F)cc1OC(F)F)C(=O)Nc1ccc(N2CCOCC2)cc1 2297391140 YIQXFRDSSBTICF-UHFFFAOYSA-N 465.403 4.272 50 10 JIGE Cc1cccc(OCC(=O)NNC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)c1 14669692 HXNOTABKKCGTOT-UHFFFAOYSA-N 483.362 4.219 50 10 JIGE COc1cc(/C=C(/C#N)c2ccccc2OC)ccc1OC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 31901963 GXONGOLFTXJAGX-HKWRFOASSA-N 492.553 4.237 50 10 JIGE COc1cc(/C=C(/C#N)C(=O)N2CCCC2)ccc1OCC(=O)Nc1ccc(Br)cc1 35419530 ARJWTDKWSDDPMX-ATVHPVEESA-N 484.350 4.005 50 10 JIGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)cc1 38683286 QKIQZAJWNDZRJK-DEOSSOPVSA-N 490.899 4.329 50 10 JIGE Cc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)NCc4ccc5c(c4)OCO5)c(C)c32)c1 40811324 NWKYWKXDTIMWPX-TURZUDJPSA-N 459.502 4.026 50 10 JIGE CCOC(=O)c1sc(NC(=O)N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)c(C(=O)OCC)c1C 40840263 JNTIBYWCBDMNRX-ZVBGSRNCSA-N 482.902 4.127 50 10 JIGE C/C(=N\NC(=O)CSc1nnc(-c2ccc(Br)cc2)n1N)c1ccc2ccccc2c1 58991278 ZLRHPVBBISZILY-AFUMVMLFSA-N 495.406 4.207 50 10 JIGE CCc1ccc(OCC(=O)N/N=C/c2cc(Br)c(O)c(OC)c2)c(Br)c1 100437506 DCNSKNGGXDEWLE-ZVBGSRNCSA-N 486.160 4.017 50 10 JIGE C[C@@H](Br)C[C@@H](C)CNS(=O)(=O)c1cc(Br)ccc1Br 398604757 VZDHMBOKMVVYHI-RKDXNWHRSA-N 478.044 4.300 50 10 JIGE O=C(N[C@H](CBr)CC(F)F)c1cc(Br)ccc1I 717776158 JRXSZLKUJRSYRK-ZETCQYMHSA-N 496.915 4.202 50 10 JIGE COc1ccc(CNC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)c(OC)c1 914473650 APHWSROMCYUJQA-UNOMPAQXSA-N 475.936 4.358 50 10 JIGE N#CCCn1cc(/C=C(\C#N)C(=O)NCc2ccc([N+](=O)[O-])cc2)c(-c2ccc(Cl)cc2)n1 917790237 CBJOBXMOILAWQB-LDADJPATSA-N 460.881 4.249 50 10 JIGE CCOc1ccccc1N(CC(=O)NN=Cc1cc(C)n(-c2c(C)cccc2C)c1C)S(C)(=O)=O 1084032446 QUEPDPLVVHIRIW-UHFFFAOYSA-N 496.633 4.026 50 10 JIGE O=C(Cc1ccccc1)Nc1ccc(C(=O)NN=Cc2cc(Br)ccc2O)cc1 1084469542 ZZURRHMHKWWSCG-UHFFFAOYSA-N 452.308 4.100 50 10 JIGE CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865705953 KKAOABVEPVUCSB-LJQANCHMSA-N 453.861 4.413 50 10 JIGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Br)cc2)cc1OC 1865707388 VTBWUENOESJWEC-FQEVSTJZSA-N 467.323 4.179 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(F)cc2)[C@@H]1c1ccccc1[N+](=O)[O-] 1865710359 WGZKOGZHYWYKGU-MRXNPFEDSA-N 459.359 4.216 50 10 JIGE CCc1cccc(CC)c1N1C[C@H](C(=O)NNC(=O)c2ccc(-c3ccc(C)cc3)nc2C)CC1=O 1865757382 AEOKVLDBGCZUGM-HSZRJFAPSA-N 484.600 4.304 50 10 JIGE CC(C)(C)OC(=O)N[C@@H](CBr)Cc1c(Br)cncc1Br 1882087954 NKYUADGBJQELPA-MRVPVSSYSA-N 473.003 4.437 50 10 JIGE CN(CCOCc1ccccc1)S(=O)(=O)c1cc(F)c(Cl)c(CBr)c1 2059315399 ZMXIQTJNDZPUHG-UHFFFAOYSA-N 450.757 4.211 50 10 JIGE C[C@@H]1CN(S(=O)(=O)c2cc(Cl)c(Br)s2)[C@H](C)C[C@@H]1Br 2093114111 GEWLULZXVSHQTP-PRJMDXOYSA-N 451.633 4.347 50 10 JIGE CC[C@@]1(CBr)COCCN1C(=O)c1cc(Br)sc1Br 2112707497 GBPAYKQOJMCISQ-GFCCVEGCSA-N 476.028 4.289 50 10 JIGE CCCN1CC[C@@H]([C@@H](Br)c2cc(Cl)ccc2I)S1(=O)=O 2145769415 PLTYEPYBUNVOHI-STQMWFEESA-N 492.604 4.195 50 10 JIGE O=C(c1ccc(F)cc1I)N1[C@H](CBr)C[C@@H]2CCC[C@@H]21 2164656363 MHSRLAWCKFDNAX-CHIMOYNISA-N 452.105 4.208 50 10 JIGE Cc1csc(CBr)c1S(=O)(=O)N1CCN(Cc2ccccc2)C2(CCC2)C1 2179816941 MVHDBLBJWHXOTA-UHFFFAOYSA-N 469.470 4.381 50 10 JIGE COc1ccc(Br)cc1S(=O)(=O)N(Cc1ccccc1)[C@H](C)CBr 2214851117 MUXRSHDFZPZMER-CYBMUJFWSA-N 477.218 4.432 50 10 JIGE CC1(C)CCN(Cc2ccccc2)CCN1S(=O)(=O)c1csc(CBr)c1 2231335248 NNSIHVRUAWTMQQ-UHFFFAOYSA-N 457.459 4.318 50 10 JIGE O=C(NN=C1c2ccccc2C(=O)[C@H]1c1ccc(Cl)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 2297672108 FWRLEUDAKOIQQJ-IBGZPJMESA-N 464.821 4.271 50 10 JIGE O=C(c1cc(Br)sc1Br)N1C[C@H]2C[C@@H](CBr)[C@H]2C1 2309712831 GGZGATPPSHTRHH-LKEWCRSYSA-N 458.013 4.376 50 10 JIGE CC1(C)CO[C@H](CBr)CN1Cc1ccc(Cl)c(I)c1 2337227815 PMEBZBUIDIMUJX-LLVKDONJSA-N 458.565 4.319 50 10 JIGE Cc1cc(OCC(=O)NNC(=O)c2ccccc2OCCc2ccccc2)cc(C)c1Cl 10508822 RTOBLSFCVGEACF-UHFFFAOYSA-N 452.938 4.418 50 10 JIGE CCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(OCc2ccccc2)cc1 14037170 ACQXTQHIMBEOFP-UHFFFAOYSA-N 463.559 4.004 50 10 JIGE CCCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(Cl)cc1C 14649788 QWQGWJHYQSJLLX-UHFFFAOYSA-N 469.763 4.430 50 10 JIGE COc1ccc(/C(C#N)=C\c2ccc(OC(=O)CCN3C(=O)c4ccccc4C3=O)c(OC)c2)cc1 31902292 HYMYQLNDPAHXOO-HKWRFOASSA-N 482.492 4.360 50 10 JIGE C#CCOc1c(Cl)cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1OCC 58894942 ZLRVXXQSEZJIOY-YQUKCCFRSA-N 458.942 4.113 50 10 JIGE O=C(N/N=C/c1cc(Br)c(I)o1)Nc1ccccc1Cl 59104590 HATXHGLCIAYPCW-OMCISZLKSA-N 468.476 4.456 50 10 JIGE O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1)NN=Cc1cccs1 254397768 IKKURIGKRKVBNE-UHFFFAOYSA-N 464.532 4.146 50 10 JIGE CCOc1cc(C=NNC(=O)COc2ccc(C)cc2[N+](=O)[O-])ccc1OC(=O)c1cccs1 254518069 JIKUNJKLILZPAH-UHFFFAOYSA-N 483.502 4.112 50 10 JIGE O=S(=O)(N[C@@H](CBr)C1CCCC1)c1cc(Br)ccc1Br 386309068 WPAYZCQRHYNJLM-LBPRGKRZSA-N 490.055 4.444 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CCC[C@@H](Br)CC1 721576348 FQWNXANXVGNPLU-SNVBAGLBSA-N 486.973 4.443 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@H]2C[C@@H](Cl)C[C@H]1C2 721592809 HLXFUDQZIVQGFY-JMJZKYOTSA-N 454.533 4.286 50 10 JIGE Cc1ccc(S(=O)(=O)Oc2ccccc2C=NNC(=O)COc2ccc(C)c(Cl)c2)cc1 1084621053 JHJJHTKLLJUYQI-UHFFFAOYSA-N 472.950 4.254 50 10 JIGE COc1ccc(CCCC(=O)N[C@H](CCSC)C(=O)Nc2ccc(SC#N)cc2)cc1OC 1866786260 NPSHTPUCMXUPFJ-HXUWFJFHSA-N 487.647 4.476 50 10 JIGE C[C@@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1cscc1Br 1914352086 YWPWOGIQKDESHT-NSHDSACASA-N 453.221 4.485 50 10 JIGE C[P@]1(=O)C[C@@H](Br)[C@@H](NC(=O)c2cc(Br)c(Br)s2)C1 2057665845 KMVVPBQIRRVLFE-ZZHYIZSMSA-N 479.956 4.142 50 10 JIGE O=S(=O)(c1ccc(Br)c(CBr)c1)N1CC[C@H](OCc2ccccc2)C1 2059390972 WEIAYGSLBJHGDU-INIZCTEOSA-N 489.229 4.324 50 10 JIGE Brc1cccc(CN2C[C@H]3COC[C@@H](C2)C3Br)c1Br 2111473233 FSHHLZOCANXNED-QYJAPNMZSA-N 454.000 4.053 50 10 JIGE Cc1oc(C)c(S(=O)(=O)N2CCCN(Cc3ccccc3)CCC2)c1CBr 2179787172 KZTKLJYRPZJLNW-UHFFFAOYSA-N 455.418 4.078 50 10 JIGE Cc1oc(C)c(S(=O)(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)c1CBr 2179787778 UBSGQXMEJZDSEG-SFHVURJKSA-N 455.418 4.076 50 10 JIGE Cc1ccc(I)c(C(=O)N2CC[C@H](C(F)(F)CBr)C2)c1 2240906090 QJILAMAFYIBXSP-JTQLQIEISA-N 458.084 4.092 50 10 JIGE C[C@H]1C[C@H](C(F)(F)F)N(CCCCI)CCN1C(=O)OC(C)(C)C 2248245558 GNOBIHWZUPIJHT-QWHCGFSZSA-N 464.310 4.464 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1CC[C@@H](Br)C2(CC2)C1 2268349638 YHWWPLMYRMFXLJ-GFCCVEGCSA-N 454.533 4.334 50 10 JIGE CC(C)(CI)CN1C[C@H]2CCC[C@](CNC(=O)OC(C)(C)C)(C2)C1 2306809812 MYXNKRTULITHRG-HNAYVOBHSA-N 450.405 4.465 50 10 JIGE N#CC(=Cc1cn(CC(=O)N2CCOCC2)c2ccccc12)c1cccc(Br)c1 2313556418 ZRAPKKUQKDOYBB-UHFFFAOYSA-N 450.336 4.327 50 10 JIGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1cc(Br)cc([N+](=O)[O-])c1 2343417796 HSOMJDKMWMUGPR-INIZCTEOSA-N 486.160 4.458 50 10 JIGE CC(C)(C)OC(=O)NCC[C@H]1CCN(C(=O)[C@H]2C[C@@H](Br)C2)[C@@H](C(F)(F)F)C1 2362758805 YZFLAWMXSMDDQN-IGQOVBAYSA-N 457.331 4.244 50 10 JIGE C[C@H](Br)C[C@H]1CCCCN1C(=O)c1c(Br)c(Br)nn1C 2364031282 IEEVCYJASDESGN-DTWKUNHWSA-N 472.019 4.113 50 10 JIGE CC(C)Oc1cccc(C(=O)NC(=S)NNC(=O)c2ccccc2OCc2ccccc2)c1 10471907 JCEHXSOPBRLUMM-UHFFFAOYSA-N 463.559 4.002 50 10 JIGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)C(c2ccccc2)c2ccccc2)cc1 14030135 NONGOYMRBCRWDX-UHFFFAOYSA-N 461.587 4.333 50 10 JIGE O=C(CCCCCN1C(=O)/C(=C/c2cccs2)SC1=S)NNC(=O)c1ccc(F)cc1 34990867 WANDQMKZYLKLDJ-LGMDPLHJSA-N 477.608 4.110 50 10 JIGE Cc1ccc(Cc2nc(N3CCN(C(=O)[C@H](C)Cl)CC3)c3c(C)nn(-c4ccccc4)c3n2)cc1 35912852 ILMGHCFNCVDEHX-IBGZPJMESA-N 489.023 4.299 50 10 JIGE CCOc1cc(/C=C2/C(=O)N(CCOC)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 38606234 LYXUCYQGHDTRMJ-HYARGMPZSA-N 460.530 4.211 50 10 JIGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2OC)cc1 38650074 BMVQDSZKXSNLLF-SANMLTNESA-N 456.498 4.460 50 10 JIGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)N/N=C(\C)c1ccc(N)cc1 59260853 HMHDXDQEFUXYJS-ZXSUQFSISA-N 484.029 4.333 50 10 JIGE CN(C)c1ccc(C=NNC(=O)CCCCCCCC(=O)NN=Cc2ccc(N(C)C)cc2)cc1 245266918 KRFPFDWVGXSQDL-UHFFFAOYSA-N 478.641 4.150 50 10 JIGE COc1cc(C=NNC(=O)COc2ccc(Cl)cc2)ccc1OC(=O)c1ccc(C)cc1 252606359 GRWXUQTUCYPCDB-UHFFFAOYSA-N 452.894 4.405 50 10 JIGE Cc1ccc(COc2ccc(C=NNC(=O)CN(c3ccc(C)cc3C)S(C)(=O)=O)cc2)cc1 252619965 LUZPZAJDDCAIEV-UHFFFAOYSA-N 479.602 4.107 50 10 JIGE Cc1c(C=NNC(=O)c2ccc(Br)cc2)c2ccccn2c1C(=O)c1ccncc1 253679537 XFLGAUCOFQEELX-UHFFFAOYSA-N 461.319 4.400 50 10 JIGE CCOC(=O)c1c(NC(=O)NN=Cc2ccc(OC)c(Br)c2)sc(C(C)=O)c1C 256017276 BMPJSMYJZZFWSF-UHFFFAOYSA-N 482.356 4.363 50 10 JIGE CCOC(=O)c1sc(NC(=O)NN=Cc2c(O)ccc3ccccc23)c(C(=O)OCC)c1C 256018574 SHBDGBJQSOSCIM-UHFFFAOYSA-N 469.519 4.424 50 10 JIGE C[C@@H]1C[C@H](Br)CN1C(=O)c1cc(Br)ccc1I 384925059 FOLPHOCNDBRPPN-APPZFPTMSA-N 472.946 4.052 50 10 JIGE FC(F)(F)Oc1c(CBr)cnc(Br)c1I 396177990 HKMDTGJTIHLPML-UHFFFAOYSA-N 460.813 4.242 50 10 JIGE Cn1cc([C@@H](Br)c2cc3c(cc2Br)OCC3)nc1Br 698479011 PSQZHDABGAARCG-LBPRGKRZSA-N 450.956 4.364 50 10 JIGE CC(=O)[C@@H](Br)[C@@H](C)c1cc(I)cc(I)c1 709822344 YQQQWWPYHYXOIL-KGFZYKRKSA-N 492.920 4.352 50 10 JIGE O=C(NC1CCC(Br)CC1)c1ccc(I)c(Br)c1 721608300 GGGIZVIAJUNXQY-UHFFFAOYSA-N 486.973 4.490 50 10 JIGE Cc1ccc(-c2ccc(C=NNC(=O)C(O)(c3ccccc3)c3ccccc3)o2)cc1C(=O)O 1084594365 CUHXNIPPTRWLEO-UHFFFAOYSA-N 454.482 4.339 50 10 JIGE Cc1ccc2nc(-c3cccnc3)cc(C(=O)NNC(=O)c3ccc(Br)cc3)c2c1 1318309131 ZJFGKRUGTYRAMC-UHFFFAOYSA-N 461.319 4.443 50 10 JIGE CC[C@@](C)(NC(=O)CCS(=O)(=O)c1cccc(Cl)c1)C(=O)Nc1ccc(SC#N)cc1 1866887651 SSJQJKXZXBKKNA-OAQYLSRUSA-N 480.011 4.001 50 10 JIGE CC(C)(C)OC(=O)N[C@H](CBr)[C@H]1CN(C(=O)OC(C)(C)C)[C@@]2(CCCOC2)C1 1885098209 XAZZWJALRQPJQU-SXGZJXTBSA-N 463.413 4.081 50 10 JIGE O=C(c1scc(Br)c1Br)N1C[C@@H](Br)[C@H](Br)C1 1897060040 CRKCOMZSDJIBOA-RFZPGFLSSA-N 496.844 4.256 50 10 JIGE Cc1cccc(C(=O)N[C@H](CCBr)C(F)(F)F)c1I 1918538575 OJKQJZQWAUXTQX-SECBINFHSA-N 450.036 4.045 50 10 JIGE CC(C)(C)OC(=O)Nc1ccc(I)cc1CC(=O)CBr 1952624676 AWHFEKZPVWIJRG-UHFFFAOYSA-N 454.102 4.145 50 10 JIGE C[C@@H]1C[C@H]1N(CCBr)C(=O)c1cc(Br)ccc1I 2048203389 AZVAGQINFNWELT-PRHODGIISA-N 486.973 4.299 50 10 JIGE O=C(NN=CC=Cc1ccccc1[N+](=O)[O-])c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 2053509401 UKHFVYJOIPPXRC-UHFFFAOYSA-N 484.921 4.478 50 10 JIGE CCN(C[C@@](C)(CI)OC1CC(n2cccn2)C1)C(=O)OC(C)(C)C 2063773913 MSFHZQOWLWXDOH-JTTJXQCZSA-N 463.360 4.054 50 10 JIGE Cn1cc(Br)c([C@@H](Br)c2cc(Br)c3c(c2)CCO3)n1 2090463574 ITSFEGDCSCXNCD-NSHDSACASA-N 450.956 4.364 50 10 JIGE COC[C@@](C)(CCBr)NC(=O)c1cccc(Br)c1Br 2101772882 AEOJIGXVXIXTSY-CYBMUJFWSA-N 457.988 4.132 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@@H]2[C@@H](CCl)C[C@H]2C1 2117681157 KYQHCJXYGZZXQR-VDDIYKPWSA-N 454.533 4.001 50 10 JIGE Cc1sc(CBr)cc1S(=O)(=O)N1CCN(Cc2ccccc2)CC1(C)C 2123229676 LMQQPVMLLTUYOY-UHFFFAOYSA-N 457.459 4.237 50 10 JIGE C[C@@]1(CBr)COCCN(Cc2ccc(I)c(Cl)c2)C1 2142946342 ZWISCIQYFKRJEV-AWEZNQCLSA-N 458.565 4.178 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2C[C@@H](CBr)C[C@H]2C)cc1Br 2156539690 PEVJQWDPQFZIHJ-NXEZZACHSA-N 490.055 4.314 50 10 JIGE Cc1c(CBr)cccc1S(=O)(=O)N(C)[C@H]1C[C@H](C)N(Cc2ccccc2)C1 2179785308 KHDNNXQXKVVZRQ-JXFKEZNVSA-N 451.430 4.173 50 10 JIGE Cc1cc(CBr)ccc1S(=O)(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 2179788274 AGZKBCVPHZQOKC-HXUWFJFHSA-N 451.430 4.175 50 10 JIGE CN(Cc1ccccc1)[C@@H]1CCCCN(S(=O)(=O)c2ccc(CCBr)s2)C1 2179822121 SGGSCUPIIWLLNW-GOSISDBHSA-N 471.486 4.361 50 10 JIGE O=C(c1scc(Br)c1Br)N1C[C@@H]2OCCC[C@]2(CBr)C1 2239158097 QPDFHEWZSCZZNF-ZANVPECISA-N 488.039 4.289 50 10 JIGE CCC[C@@H]1CN(C(=O)c2cc(C)ccc2I)C[C@H]1CBr 2240903745 PBKVBWZRMKKAHO-CHWSQXEVSA-N 450.158 4.483 50 10 JIGE O=C(N[C@@H]1CC[C@H]2C[C@@]21CBr)c1ccc(Cl)c(I)c1 2268342323 SKGFLUBZSXOHQU-MRCXROJRSA-N 454.533 4.238 50 10 JIGE C[C@@H]1[C@H](CBr)CCN1C(=O)Cc1cc(Br)cc(Br)c1 2277915803 LZYZTWXEHHOICN-KOLCDFICSA-N 454.000 4.386 50 10 JIGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1cc(O)cc(Br)c1 2303700274 IDWCCXVXPBUSRY-INIZCTEOSA-N 457.162 4.255 50 10 JIGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc([N+](=O)[O-])cc2)cc1 2314634168 VTMDZNZBVSTNJB-VWLOTQADSA-N 469.453 4.440 50 10 JIGE N#CC(=CN1CCN(Cc2ccc3c(c2)OCO3)CC1)C(=O)Nc1ccc(Oc2ccccc2)cc1 2325141543 VHNFXJLSWZVYEM-UHFFFAOYSA-N 482.540 4.371 50 10 JIGE Cn1nc(Br)c(Br)c1C(=O)NC[C@@H]1CCCC[C@H](Br)C1 2364227792 DNSFVASNDFYEFV-BDAKNGLRSA-N 472.019 4.019 50 10 JIGE COc1ccc(C(=O)NNC(=O)c2cccc(OCCc3ccccc3)c2)cc1Br 10331392 RYHQSVGBHXCXPQ-UHFFFAOYSA-N 469.335 4.154 50 10 JIGE CCc1ccc(OCC(=O)NNC(=O)COc2ccc([C@@H](C)CC)cc2)c(Br)c1 13983354 JQYVUPCIPAVOFZ-HNNXBMFYSA-N 463.372 4.130 50 10 JIGE CCCOc1ccc(C(=O)NNC(=O)COc2ccc3ccccc3c2Br)cc1 14031016 KIRYERPWFMOIHJ-UHFFFAOYSA-N 457.324 4.231 50 10 JIGE CCOc1ccccc1/C=N/NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(OC)cc1 16693388 JXRVVYWKRIXTJJ-JVWAILMASA-N 488.569 4.035 50 10 JIGE CCOc1cc(/C=N/NC(=O)c2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 33959207 OJQBWPAARVDVNI-JVWAILMASA-N 478.501 4.094 50 10 JIGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3[N+](=O)[O-])ccc2[C@H]1c1cccc(Cl)c1 38651149 OTCKMYRWEOFSGF-HSZRJFAPSA-N 477.860 4.451 50 10 JIGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cc(C)n(-c3ccccc3C(=O)O)c2C)cc1 58894381 CYLNEFIKJTZOBD-RLWVUDJFSA-N 463.534 4.155 50 10 JIGE COc1cc2ccccc2cc1C(=O)N/N=C1/C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 59152310 QFIFCYHSMFWSKE-AZPGRJICSA-N 480.480 4.438 50 10 JIGE COCCOC(=O)c1ccc(NC(=O)[C@H](Br)[C@@H](Br)c2ccccc2)cc1 101648332 IYOFUTXUZDANDI-DLBZAZTESA-N 485.172 4.328 50 10 JIGE O=C(O)CNc1ccc(C(=O)[C@@H](Br)[C@H](Br)c2ccc([N+](=O)[O-])cc2)cc1 205191765 WDQAAPPZMCNHDO-CVEARBPZSA-N 486.116 4.174 50 10 JIGE FC(F)c1nc(I)c(CBr)cc1I 238602690 QUYHJJKTGNJNAQ-UHFFFAOYSA-N 473.824 4.123 50 10 JIGE O=C(NN=Cc1ccc(OC(=O)c2ccco2)cc1)/C(=C/c1cccs1)NC(=O)c1ccccc1 254870902 KCIBAPUHPLQJGE-ZBNKSKIISA-N 485.521 4.482 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CCS[C@@H](CCCl)C1 720036514 YMOFPOJIHGVRIA-JTQLQIEISA-N 474.589 4.240 50 10 JIGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@@H](c2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)C1 725384270 VEZOVEDNVFJONF-HZPDHXFCSA-N 464.272 4.250 50 10 JIGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Cl)c(O)c(Br)c2)cc1 1084044309 HVASTUIKCNAANT-QGZVFWFLSA-N 455.736 4.171 50 10 JIGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NN=C1C(=O)N(CCN2CCCCC2)c2ccccc21 1084134885 RBGNLQHDCCKVFX-INIZCTEOSA-N 489.403 4.114 50 10 JIGE COc1ccc(/C(C#N)=C/c2ccc(OC(=O)[C@H](C)N3C(=O)c4ccccc4C3=O)cc2)cc1OC 1615099375 PPQNFFRDPRNLRU-TYSUYXETSA-N 482.492 4.358 50 10 JIGE C#Cc1ccc(NC(=O)NNC(=O)[C@@H]2Cc3ccccc3CN2Cc2ccccc2)c(Cl)c1 1627814409 BQHLOOSFXDSZIX-DEOSSOPVSA-N 458.949 4.101 50 10 JIGE COc1ccc(OCC(=O)NN=Cc2ccc(OCc3ccccc3Cl)c(OC)c2)cc1 1772752817 GQRAGVATHQMRAK-UHFFFAOYSA-N 454.910 4.465 50 10 JIGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@@H](c2cccc(OC)c2O)C(C#N)=C(N)O3)cc1 1865684031 LNGPDQUYVMIQLW-QFIPXVFZSA-N 466.497 4.480 50 10 JIGE C[C@@H]1CC[C@](CBr)(NS(=O)(=O)c2cc(Cl)c(Br)s2)C1 1880884504 CFYBDHSDYXPSSO-HQJQHLMTSA-N 451.633 4.396 50 10 JIGE CC(C)(C)OC(=O)N1CC(N(C[C@@]2(CBr)CC2(F)F)OCc2ccccc2)C1 1893489515 QEXURZAFVVGJGI-IBGZPJMESA-N 461.347 4.460 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OCCOC2CCCC2)C1 1940266671 GZXYAWHVFFRQEI-GOSISDBHSA-N 453.361 4.167 50 10 JIGE C[C@@]12CN(C(=O)c3ccc(I)c(Br)c3)C[C@@]1(CBr)C2 2109188011 UDHGGCAPTNXUMJ-KGLIPLIRSA-N 498.984 4.301 50 10 JIGE C[C@@H](Br)CN1CCN(Cc2ccc(Br)cc2Br)CC1 2113861956 RXZRVPYJDZJXAK-LLVKDONJSA-N 455.032 4.113 50 10 JIGE CC[C@@H]1CN(C(=O)c2cc(Cl)ccc2I)C[C@H]1CBr 2140789663 USCFKHQUNSYHSI-NXEZZACHSA-N 456.549 4.438 50 10 JIGE C[C@@H]1CC[C@@H](CBr)N(S(=O)(=O)c2cc(Br)ccc2Br)C1 2166915027 HPFDSYLDASHPMC-KOLCDFICSA-N 490.055 4.396 50 10 JIGE O=C(c1cc(I)ccc1F)N1CCC([C@H](F)CBr)CC1 2169661771 HMLGMBYVXCLESC-CYBMUJFWSA-N 458.084 4.016 50 10 JIGE CS[C@@H]1CCC[C@H]1N(C)S(=O)(=O)c1cc(CBr)sc1Br 2179787285 MRQJLNJYLYMNNP-NXEZZACHSA-N 463.282 4.310 50 10 JIGE CN(Cc1nccn1Cc1ccccc1)S(=O)(=O)c1ccc(CBr)cc1Cl 2179791733 VQKGZVNJAJFLRZ-UHFFFAOYSA-N 468.804 4.300 50 10 JIGE C[C@]1(C2CC2)CN(S(=O)(=O)c2csc(CBr)c2)CCN1Cc1ccccc1 2179813268 VUYJRKDKZBQYKP-HXUWFJFHSA-N 469.470 4.318 50 10 JIGE Cc1cc(S(=O)(=O)N2C[C@H]3CCN(Cc4ccccc4)C[C@@H]3C2)sc1CBr 2179823105 FTSSQCQZJUUZOJ-QZTJIDSGSA-N 469.470 4.094 50 10 JIGE O=S(=O)(c1ccc(Cl)c(CBr)c1)N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 2188885695 NOBVUHCTAAJUOZ-UZLBHIALSA-N 469.832 4.130 50 10 JIGE CC(C)(C)OC(=O)N[C@H](Cc1ccccc1Br)C(=O)NCC1CC(Br)C1 2229135846 AJJBXFZXOOVAQD-LDZOIKDWSA-N 490.236 4.175 50 10 JIGE O=S(=O)(Cc1ccsc1Br)N(CCBr)Cc1cccs1 2234489503 LELGVQWDGUQUAX-UHFFFAOYSA-N 459.250 4.299 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1CC2(CC2)C[C@H]1CBr 2268352739 QKVZFVRYSZWDFS-JTQLQIEISA-N 454.533 4.334 50 10 JIGE CC1(C)C[C@@H](CBr)CN(C(=O)c2c(F)cccc2I)C1 2282795233 RNJCSOOBVHGAPI-JTQLQIEISA-N 454.121 4.314 50 10 JIGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)c1ccccc1[N+](=O)[O-] 2314737338 ZIBPBHYSWOJIIE-UHFFFAOYSA-N 457.442 4.046 50 10 JIGE O=S(=O)(Cc1cccc(Br)c1)N[C@@H](CCBr)COCc1ccccc1 2320356458 MRBXIHMKVQSDQM-SFHVURJKSA-N 491.245 4.239 50 10 JIGE C[C@]1(NC(=O)c2csc(I)c2)C[C@H]2CC[C@H]1C[C@@H]2Br 2352782247 AMJYQBHWGZORHZ-ORMVGFHCSA-N 454.171 4.425 50 10 JIGE O=C(N[C@H](CBr)C[C@@H]1CCCO1)c1ccc(Cl)cc1I 2365597746 KAEHDRODBQEATI-QWRGUYRKSA-N 472.548 4.007 50 10 JIGE COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(OC(C)C)c(OC)c2)N1C(=O)CCl 11767147 TUQLEIQRUICVPW-YADARESESA-N 470.953 4.218 50 10 JIGE CCCCOc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)c1 14041966 JQYHRYWJOPQREX-UHFFFAOYSA-N 490.585 4.067 50 10 JIGE O=C(N/N=C1/C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21)[C@H](O)c1ccccc1 59165534 GDZBQSDVEUYIIH-NBHLSZMOSA-N 454.313 4.094 50 10 JIGE O=C(N[C@H](CBr)Cc1ccccc1)c1csc(I)c1 122433812 OUJFZVHLCGDTJJ-LBPRGKRZSA-N 450.139 4.089 50 10 JIGE COc1ccc(CCC(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2OC)cc1OC 207162576 ZZMOADODZOBPOD-MOSHPQCFSA-N 490.512 4.067 50 10 JIGE C[C@H]1C[C@H](Br)CN1C(=O)c1cc(I)ccc1Br 384926514 FYSLPOGDXBBHQV-YUMQZZPRSA-N 472.946 4.052 50 10 JIGE C[C@@H]1CN(C(=O)c2cc(Cl)ccc2I)C[C@@]1(C)CBr 694707573 LBQYZRCMXGHHLM-YMTOWFKASA-N 456.549 4.438 50 10 JIGE COCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@@H](C)C(=O)Nc2c(C)nn(-c3ccccc3)c2C)c1C 897573019 BBYPAUAUGSCLAK-XUVWKZFSSA-N 489.576 4.031 50 10 JIGE CCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865705869 HWROABAAMYKWFI-LJQANCHMSA-N 453.861 4.413 50 10 JIGE FC(F)(F)c1cnc(N2CC[C@](F)(CBr)C2)c(I)c1 1917137056 ZOHZKPACIVDRMS-JTQLQIEISA-N 453.015 4.018 50 10 JIGE COCCCN(Cc1ccccc1)S(=O)(=O)c1cc(CCl)sc1Br 1946810905 WHIMHKMTFRKXFT-UHFFFAOYSA-N 452.823 4.477 50 10 JIGE CCOC(=O)c1cc(CBr)cc(OC(F)(F)F)c1I 2055266833 ZZQVKSWINBMQPM-UHFFFAOYSA-N 452.992 4.261 50 10 JIGE Cn1nnc(Br)c1CC(CBr)(CBr)C1CCCCC1 2089736709 RRYWERHKHZGAEM-UHFFFAOYSA-N 458.036 4.477 50 10 JIGE BrCCN1CCC[C@H](NCc2ccc(Br)cc2Br)C1 2092262326 YQKGYYVOFDZIOD-ZDUSSCGKSA-N 455.032 4.161 50 10 JIGE O=C(N[C@@H]1C[C@H]2C[C@H]1C[C@H]2Br)c1cc(Cl)ccc1I 2104409964 BREUYECUIWEGBU-LVNATWPUSA-N 454.533 4.236 50 10 JIGE C[C@@]12CN(C(=O)c3cccc(Br)c3Br)C[C@@]1(CBr)C2 2109182075 JTBRJPUFKKOYDV-KGLIPLIRSA-N 451.984 4.459 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1CCCC[C@H](Br)C1 2112925090 KTPQEGGADWKYMP-JTQLQIEISA-N 476.028 4.150 50 10 JIGE O=C(NC[C@H](Br)CBr)c1cc(C(F)(F)F)ccc1Br 2116367220 RKTBFBLXHSFIFI-SSDOTTSWSA-N 467.905 4.356 50 10 JIGE C[P@]1(=O)C[C@@H](Br)[C@H](NC(=O)c2cccc(Br)c2Br)C1 2121369288 RTKLYTZTQXGQJZ-HQVAUKCESA-N 473.927 4.080 50 10 JIGE CCCN1CC[C@@H]([C@@H](Cl)c2cc(Br)ccc2I)S1(=O)=O 2145770148 LKMAHXAGNDTEKO-STQMWFEESA-N 492.604 4.148 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@H]2CC[C@@]1(CBr)C2 2145954069 SEYCSGHHKBDFKO-ZANVPECISA-N 488.039 4.150 50 10 JIGE C[C@H]1C[C@H](N(C)S(=O)(=O)c2ccc(CCl)cc2Br)CN1Cc1ccccc1 2154838241 BLZYTIPXHKIRMK-YJBOKZPZSA-N 471.848 4.471 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1CCC[C@@](F)(CBr)C1 2157514832 PUHWUDRDPXGCGC-GFCCVEGCSA-N 494.018 4.099 50 10 JIGE O=C(c1cc(Br)c(Br)s1)N1C[C@@H](Br)C2(CCOCC2)C1 2174379618 PPWYKILLFPANQM-SNVBAGLBSA-N 488.039 4.289 50 10 JIGE C[C@H]1CN(S(=O)(=O)c2cc(F)ccc2CBr)[C@@H](C)CN1Cc1ccccc1 2179785179 IPUZKIXOXHMGQL-HOTGVXAUSA-N 455.393 4.004 50 10 JIGE CC1(C)CN(S(=O)(=O)Cc2ccc(CBr)cc2)CCN1Cc1ccccc1 2179787094 JWZYQPPPZMRALC-UHFFFAOYSA-N 451.430 4.008 50 10 JIGE C[C@H](NC(=O)c1cc(Br)ccc1Br)c1nnc(CBr)s1 2192614968 FVAHOKUDAOAVPO-LURJTMIESA-N 484.011 4.449 50 10 JIGE Clc1ccc(I)c(CN2CCO[C@@H]3C[C@@H](CBr)C[C@@H]32)c1 2199761024 ACWVHHGBRLXGCA-NZVBXONLSA-N 470.576 4.319 50 10 JIGE C[C@@H](NC(=O)Cc1cc(Br)cc(Br)c1)C1(CBr)CC1 2277913670 ASZRGONERHMYNE-SECBINFHSA-N 454.000 4.434 50 10 JIGE COc1ccc(C=NNC(=O)C(=Cc2cccs2)NC(=O)c2ccccc2Cl)c(OC)c1 2297450829 VNMHHLZVQQSNBS-UHFFFAOYSA-N 469.950 4.340 50 10 JIGE CCCOc1cccc(C=NNC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)c1 2318792669 CWRITFPORFLQGL-UHFFFAOYSA-N 460.559 4.373 50 10 JIGE CC(C)c1nc2c(Cl)cc(C(F)(F)F)cn2c1C=NNC(=O)c1ccccc1S(C)(=O)=O 2321226917 QURSWMBETDYPCJ-UHFFFAOYSA-N 486.903 4.297 50 10 JIGE COc1ncc(Cl)cc1CO[C@@]1(CI)CCCN(C(=O)OC(C)(C)C)C1 2340116177 ZDUBRZKJACXWJU-GOSISDBHSA-N 496.773 4.465 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OCc2ncc3ccccn23)C1 2352607100 HMQMEFAFKMTPMS-LJQANCHMSA-N 471.339 4.056 50 10 JIGE Clc1ccc(I)c(CN(CCBr)C2CCOCC2)c1 2353652967 YOWWMIWGSLUALC-UHFFFAOYSA-N 458.565 4.321 50 10 JIGE Cc1ccc(C(=O)NCC(F)(F)C(F)(F)CI)c(Br)c1 2361678898 GGCRZEZEFGPQQU-UHFFFAOYSA-N 468.026 4.193 50 10 JIGE Cn1nc(C(F)F)c(CBr)c1OCc1cccc(I)c1 2367524602 OOQNVOGZFWDFEG-UHFFFAOYSA-N 457.056 4.436 50 10 JIGE COc1cccc(NC(=O)C(=O)NN=Cc2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c1 8671848 RMECFAWLSSKPKT-UHFFFAOYSA-N 459.333 4.498 50 10 JIGE O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NNC(=O)COc1ccc2ccccc2c1 12581413 NTXYEIGJEGYYFQ-UHFFFAOYSA-N 460.317 4.092 50 10 JIGE CCOC(=O)c1sc(NC(=O)/C(C#N)=C/c2ccc(OCC)c(OC)c2)c(C(=O)OCC)c1C 40858374 CXSLBNKEERFJFY-LFIBNONCSA-N 486.546 4.363 50 10 JIGE COc1ccc(/C=C(\C#N)C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2)cc1 40927188 QZJUENJQRPQTPX-KVVJQUGZSA-N 453.454 4.024 50 10 JIGE Cc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)NNC(=O)c4ccc(Cl)cc4)c(C)c32)cc1 101592512 CBZKJUNASGFNAE-ZXVVBBHZSA-N 478.936 4.095 50 10 JIGE COc1ccc(/C=C/C(=O)Oc2cccc(C=NNC(=O)Cc3ccc(OC)c(OC)c3)c2)cc1 254518835 KRIDZBOWGBVGKR-CORGCJQTSA-N 474.513 4.024 50 10 JIGE COc1ccc(C=NNC(=O)CN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)S(C)(=O)=O)cc1 254623339 ISVLXYRWQLLBRA-UHFFFAOYSA-N 495.645 4.079 50 10 JIGE CCOc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2ccccc2C(F)(F)F)cc1 254757746 AXQDWSXQRKKIKC-UHFFFAOYSA-N 498.461 4.445 50 10 JIGE C[C@H](Br)c1cn(-c2ccc(Br)c(I)c2)nn1 300899955 KLTQRLUZETXZTJ-LURJTMIESA-N 456.907 4.090 50 10 JIGE CN(C(=O)c1cc(Br)ccc1I)[C@@H]1CCC[C@H]1Br 709269667 XHZARRGLYUMELE-ZYHUDNBSSA-N 486.973 4.442 50 10 JIGE CC(=NNC(=O)CCCSc1nnc(CCc2ccccc2)n1N)c1ccc2ccccc2c1 1084229777 NDNHECOBEUOXGG-UHFFFAOYSA-N 472.618 4.343 50 10 JIGE COc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3)cc2)c(OC)c1 1084329130 IUUUVEDUVRDJJH-UHFFFAOYSA-N 467.909 4.025 50 10 JIGE O=C(NN=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1cc(Cl)ccc1O 1084609352 VATMWIRWZSWKEH-UHFFFAOYSA-N 456.798 4.418 50 10 JIGE Cc1c(C(=O)N2CCN(c3ccccc3)CC2)oc2c1C(=NNC(=O)c1ccc(F)cc1)CCC2 1772745449 ZWOKKHROWABYOZ-UHFFFAOYSA-N 474.536 4.160 50 10 JIGE Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc3c(c1)OCCO3)C(C#N)=C(N)O2 1865697922 FWSNMEJMEBHNOH-FQEVSTJZSA-N 455.301 4.477 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(F)c2)[C@@H]1c1ccc(C(=O)O)cc1 1865708987 KQHJMCWBRNGSBA-MRXNPFEDSA-N 458.371 4.006 50 10 JIGE CC(C)[C@H](CI)NCc1ccc(Cl)c(I)c1 1900394739 CLFQEVHFIWMSHV-LBPRGKRZSA-N 463.528 4.494 50 10 JIGE COc1ccc(OCc2nnc(SCC(=O)C(C#N)=C3Sc4ccccc4N3C)n2C)cc1 2040464062 YOQHRSVAVXLTBM-UHFFFAOYSA-N 479.587 4.041 50 10 JIGE C[C@@H](Br)[C@@H]1CCCN1C(=O)c1ccc(I)c(Br)c1 2073319944 IPEJAIVKGCNLPO-PELKAZGASA-N 486.973 4.442 50 10 JIGE C[C@@]1(COc2c(Br)cc(CBr)cc2Br)COCCO1 2117550504 LYJOEJHNSMOFMB-ZDUSSCGKSA-N 458.972 4.291 50 10 JIGE CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)[C@@H](Br)C2CCCC2)C[C@H]1C(F)(F)F 2167034812 UGOQFLYDAMSOBE-MCIONIFRSA-N 457.331 4.102 50 10 JIGE O=C(Cc1ccccc1I)N(CCBr)Cc1cccs1 2171087248 OUXMWBGXDJSRHB-UHFFFAOYSA-N 464.166 4.319 50 10 JIGE O=S(=O)(c1ccc(CBr)cc1F)N1CCCN(Cc2ccccc2)CCC1 2179788964 JPSBBAXDRJMMKK-UHFFFAOYSA-N 455.393 4.007 50 10 JIGE Cc1ccc(CBr)cc1S(=O)(=O)N1C[C@@H](C)N(Cc2ccccc2)C[C@@H]1C 2179789950 XUOAWZPSNWDOPA-MSOLQXFVSA-N 451.430 4.173 50 10 JIGE CC1(C)C[C@@H](N(Cc2ccccc2)S(=O)(=O)Cc2ccc(CBr)cc2)CO1 2179790699 HYRKSIFMEFFVBI-HXUWFJFHSA-N 452.414 4.481 50 10 JIGE Cc1oc(CBr)cc1S(=O)(=O)N(C)[C@@H]1CC(C)(C)[C@@H]1OCc1ccccc1 2179813448 WVWVNJPQUQSCBC-IEBWSBKVSA-N 456.402 4.487 50 10 JIGE O=S(=O)(c1cc(Br)cc(CBr)c1F)N1CCC=C(Br)C1 2179825968 NKFIHJCRQQGQNN-UHFFFAOYSA-N 492.002 4.156 50 10 JIGE CCC[C@H]1CN(C(=O)c2cccc(C)c2I)C[C@H]1CBr 2205703920 PBIZVSVTZMRJPX-QWHCGFSZSA-N 450.158 4.483 50 10 JIGE CC(C)(C)OC(=O)N1CCC(CI)(O[C@@H]2CC[C@@H]3[C@@H]2C3(F)F)CC1 2216650558 IHZWZLLZTRZNOV-UPJWGTAASA-N 457.299 4.251 50 10 JIGE O=C(c1c(F)cccc1I)N1CCC2(CC1)C[C@H]2CBr 2282806848 NLYGAUKDVLZVLS-JTQLQIEISA-N 452.105 4.068 50 10 JIGE C[C@H](Cl)CN(CCC(C)(C)C)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2288018884 CBZVMGCRRXILAZ-INIZCTEOSA-N 457.036 4.004 50 10 JIGE CC(C)Oc1cccc(C=NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1 2325903152 AOTGXELYIYESOF-HOTGVXAUSA-N 452.580 4.081 50 10 JIGE Cn1cc(I)c(C[C@@H](CBr)Cc2cccc(Cl)c2)n1 2341757045 ZEURMXMLSKCIRE-NSHDSACASA-N 453.549 4.474 50 10 JIGE Clc1cc(CN2CC3(CCOCC3)[C@H]2CBr)ccc1I 2381050264 CBSCKMBKDBKXGP-CQSZACIVSA-N 470.576 4.321 50 10 JIGE CC(C)CCOc1ccc(C(=O)NNC(=S)NC(=O)c2cccc(OCC(C)C)c2)cc1 10283891 SIUDAGGWKIEOGH-UHFFFAOYSA-N 457.596 4.096 50 10 JIGE COc1ccc(C=NNC(=O)c2ccc(CN3c4cccc5cccc(c45)S3(=O)=O)cc2)cc1 12728356 YBKIZAPVQRKDPU-UHFFFAOYSA-N 471.538 4.321 50 10 JIGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2C)cc1 14029119 CUDZBULBDMZPBR-UHFFFAOYSA-N 478.014 4.322 50 10 JIGE C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NNC(=O)Cc1cccc2ccccc12 14644402 SYJLQWKVOKSHIA-CYBMUJFWSA-N 461.743 4.413 50 10 JIGE CCOc1ccccc1OCC(=O)N/N=C1\C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 40846375 MHHBRDSQBKJFJY-COOPMVRXSA-N 463.921 4.185 50 10 JIGE COc1cc(/C=N/NC(=O)COc2ccc(Br)cc2C(C)C)cc(OC)c1OC 40951014 UEBOYUHEEKYJPQ-FOKLQQMPSA-N 465.344 4.127 50 10 JIGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)ccc1OCc1ccccc1C#N 58887954 YYMSSKFMYYKNOW-APYOZOMWSA-N 457.530 4.500 50 10 JIGE Cc1cc(C(=O)NNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)nn1-c1ccccc1 107923502 HFZKJKHCUOZDIT-UHFFFAOYSA-N 462.513 4.108 50 10 JIGE C[C@H]1CCN(C(=O)c2cc(I)ccc2Br)C[C@@H]1Br 235629530 UORLPHHHFSBTTF-UFBFGSQYSA-N 486.973 4.299 50 10 JIGE Cc1ccccc1OCCCN1C(=O)C(=NNC(=O)COc2ccc(Cl)cc2)c2ccccc21 245284042 QAKICUOHSNAGQN-UHFFFAOYSA-N 477.948 4.363 50 10 JIGE COc1ccc(C(=O)Nc2ccc(C(C)=NNC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1OC 252618923 LKTAIQCKGRIODN-UHFFFAOYSA-N 462.462 4.018 50 10 JIGE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(O)c(OC)c2)cc1 252630540 VBVVMJTZOJZOPK-JMQVHHKOSA-N 486.572 4.168 50 10 JIGE CCOc1cc(C=NNC(=O)COc2ccc(C)cc2[N+](=O)[O-])ccc1OC(=O)c1ccccc1 254755059 XZNSLJOPUXVRHK-UHFFFAOYSA-N 477.473 4.050 50 10 JIGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2ccc(O)c(F)c2)C1 383437577 XXVKLGXKYZTEMM-HOTGVXAUSA-N 455.267 4.319 50 10 JIGE CC[C@@H]1CN(S(=O)(=O)c2cc(Br)ccc2Br)C[C@H]1Br 399841765 GSEZIHWHBYNVFB-LDYMZIIASA-N 476.028 4.006 50 10 JIGE C[C@H](CBr)[C@H]1CCCCN1C(=O)c1cc(I)ccc1O 696715414 WXMLFWZCZYWEBR-ZWNOBZJWSA-N 452.130 4.023 50 10 JIGE Cn1cc(Br)c([C@@H](Cl)c2cc(I)cc3c2OCC3)n1 710316030 SDEMOPYXNFBSBJ-NSHDSACASA-N 453.505 4.050 50 10 JIGE COc1ccc(-c2nn(CC(C)C)c3c2[C@H](c2ccc(O)c([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865714527 MLGLXWDMBPWQCY-HXUWFJFHSA-N 461.478 4.047 50 10 JIGE CCCC[C@@H](NC(=O)c1cc(-c2ccc(OC)cc2)nc(O)n1)C(=O)Nc1ccc(SC#N)cc1 1866621533 BPQSSUGQWCWIMJ-HXUWFJFHSA-N 491.573 4.358 50 10 JIGE CN(C[C@@H](Br)COCc1ccccc1)S(=O)(=O)c1cc(F)ccc1Cl 1916365453 XLQLFZKGXRBMJT-CQSZACIVSA-N 450.757 4.080 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CCCC[C@H](Br)C1 2086150731 FEAYKBQPYSLEER-JTQLQIEISA-N 486.973 4.443 50 10 JIGE O=C(N[C@@H]1C[C@H]2C[C@H]1C[C@H]2Cl)c1ccc(I)c(Br)c1 2104409479 YEZNDRCAXWLBBK-INTNWOOBSA-N 454.533 4.189 50 10 JIGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1C[C@@H](F)[C@H](CBr)C1 2177132687 XDPDTVPWTQXVTO-LHLIQPBNSA-N 469.985 4.109 50 10 JIGE CN(C[C@H]1C[C@@H]1Br)S(=O)(=O)c1ccc(Cl)c(CBr)c1Cl 2196935231 LGUUYJAWFIYHBL-APPZFPTMSA-N 466.022 4.292 50 10 JIGE ClCc1nc2cc(I)ccc2n1CCc1conc1Br 2239120835 POZLBOHMXFSBBF-UHFFFAOYSA-N 466.504 4.373 50 10 JIGE CC(C)(C)OC(=O)N1CCC(CI)(OCc2ccc3c(c2)OCO3)CC1 2272049023 PLJNDTOZUAIFCB-UHFFFAOYSA-N 475.323 4.137 50 10 JIGE COc1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(OC)cc3)nc3ccccn3c2=O)cc1 2296543489 HKYKDZDLWLQBAE-UHFFFAOYSA-N 468.469 4.050 50 10 JIGE CC(C)(C)OC(=O)Nc1ccc(NS(=O)(=O)CI)cc1C(F)(F)F 2302437740 REFUOLPSCNCTOM-UHFFFAOYSA-N 480.246 4.187 50 10 JIGE O=C(N[C@H](CCBr)COCc1ccccc1)c1cc(Br)ccc1O 2303701251 XOWFOZXQNJKQMP-OAHLLOKOSA-N 457.162 4.255 50 10 JIGE COc1cc(C(=O)NCC(O)=C(C#N)c2nc(-c3ccc(F)c(F)c3)cs2)cc(OC)c1OC 2331351623 KEUQAHYGYVAXNA-UHFFFAOYSA-N 487.484 4.337 50 10 JIGE C[C@@H]1CN(Cc2ccc(Cl)c(I)c2)C[C@@H](CCBr)O1 2337214111 GXSGYIVQLLSHFW-ZYHUDNBSSA-N 458.565 4.319 50 10 JIGE CC(C)Oc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2OCc2ccccc2)cc1 14039129 UUCBTSFHGKCXOQ-UHFFFAOYSA-N 463.559 4.002 50 10 JIGE C=C(C)COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H](C(=O)OC)N2C(=O)CCl)cc1OC 43754981 CETJGBPMPWHGCW-NLFFAJNJSA-N 482.964 4.386 50 10 JIGE CCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(N)=O)cc2OC)cc1OCC 54624634 NUQQFNFDAAPHMN-ZNQUXATOSA-N 464.518 4.284 50 10 JIGE O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)N/N=C/c1ccc(Br)cc1 59507152 PWEDFYRGAAXYFZ-QGMBQPNBSA-N 451.327 4.209 50 10 JIGE COc1cc(/C=N/NC(=O)c2cccc(NC(=O)c3cccc(Cl)c3)c2)cc(OC)c1OC 97729929 OGLIDYOUYPHXJQ-VULFUBBASA-N 467.909 4.382 50 10 JIGE Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)NCc2ccccc2)c(C)c1 102848968 NEVHRTJLAVKWPA-QNGOZBTKSA-N 450.498 4.327 50 10 JIGE CCC(CBr)(CBr)NS(=O)(=O)c1ccc(Cl)c(Br)c1 232874729 HKKPZJCOXCLHGA-UHFFFAOYSA-N 498.462 4.319 50 10 JIGE CC(C)C(=O)Nc1ccc(C(=O)NN=Cc2cc(Br)cc(Br)c2O)cc1 252621527 NALXJECTZSGYJG-UHFFFAOYSA-N 483.160 4.276 50 10 JIGE CC(=NNC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)c2ccc(Cl)s2)cc1 252635053 WUBNARRNGPTPLM-UHFFFAOYSA-N 472.910 4.481 50 10 JIGE O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)NN=Cc1ccco1 254531451 PVTBEVBVWMMYCY-UHFFFAOYSA-N 464.572 4.161 50 10 JIGE CCOc1cc(C=NNC(=O)COc2c(C)cccc2C)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 254714298 VCPWHAQRFAXYBK-UHFFFAOYSA-N 491.500 4.359 50 10 JIGE O=C(Oc1ccc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)cc1)c1ccccc1 254840434 AJDNOTKKZMZNOT-UHFFFAOYSA-N 450.494 4.292 50 10 JIGE C[C@@H](CCCCBr)NS(=O)(=O)c1cc(Br)ccc1Br 398746083 URZYGBILYVMWOQ-VIFPVBQESA-N 478.044 4.444 50 10 JIGE O=S1(=O)CC[C@@H](C(CBr)(CBr)Cc2ccsc2Cl)C1 710856335 GYZZCNUPWTXXBC-SNVBAGLBSA-N 450.645 4.155 50 10 JIGE N#CCCn1cc(/C=C(/C#N)C(=O)NCCOc2cccc(Br)c2)c(-c2ccccc2)n1 918681019 ASPDBNHTPHFYFP-RGEXLXHISA-N 490.361 4.328 50 10 JIGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)cc1 1083895582 JFFPVMRADNHBBN-DEOSSOPVSA-N 494.548 4.374 50 10 JIGE CC(=NNC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccccc1)c1ccc(F)cc1 1084180828 UITIBOSTUALCPI-UHFFFAOYSA-N 453.539 4.178 50 10 JIGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)c1 1865692326 LGFPOGIEURBBJU-SFHVURJKSA-N 474.414 4.325 50 10 JIGE O=C(c1cccc(Br)c1Br)N1CCSC[C@H]1CBr 2031477362 BXYHQKOUXVUBFS-MRVPVSSYSA-N 458.013 4.164 50 10 JIGE C[P@@]1(=O)C[C@H](NC(=O)c2csc(Br)c2Br)[C@@H](Br)C1 2057715285 ATXDTBRRKKGASF-OLIMHSOTSA-N 479.956 4.142 50 10 JIGE FC(F)Oc1cc(I)cc(I)c1CBr 2060290284 ROAVNELQEZWBIG-UHFFFAOYSA-N 488.835 4.392 50 10 JIGE O=C(CBr)c1ccc(I)c(OC(F)F)c1C(F)(F)F 2060377124 CMUBQZHIOYSJQP-UHFFFAOYSA-N 458.946 4.489 50 10 JIGE CN(Cc1cn(C)nc1Br)c1ccc(CBr)c(Br)c1 2116625201 VYRVUNCHEMWTNX-UHFFFAOYSA-N 451.988 4.476 50 10 JIGE CC1(C)CC[C@H](Br)[C@H](CNC(=O)c2cc(I)sn2)C1 2120031740 KFOMPBLWZSRBAL-IUCAKERBSA-N 457.175 4.067 50 10 JIGE O=S(=O)(c1cc(CCl)sc1Br)N1C[C@@H]2CCN(Cc3ccccc3)[C@H]2C1 2132362203 FVOVVIDAASRHIY-HOCLYGCPSA-N 475.861 4.144 50 10 JIGE O=C(c1cc(Br)c(Br)s1)N1CC[C@]2(C[C@@H](Br)CO2)C1 2137133415 RNXLTTGXQVKHFJ-KRTXAFLBSA-N 474.012 4.042 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N[C@H](CCBr)C2CC2)cc1Br 2146588326 HVFNIGRMHQYROC-GFCCVEGCSA-N 490.055 4.362 50 10 JIGE O=C(c1ccc(F)cc1I)N1[C@H]2CCC[C@@H](Br)[C@H]1CC2 2154106712 SFACCCWCRZCIIG-ZKYQVNSYSA-N 452.105 4.351 50 10 JIGE CC[C@H]1CN(S(=O)(=O)Cc2ccc(CBr)cc2)CCN1Cc1ccccc1 2179789785 VUPVVACSKNTYDB-NRFANRHFSA-N 451.430 4.008 50 10 JIGE CN(C[C@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1cccc(CBr)c1 2179808608 KJNHEPYVBRUMCQ-HXUWFJFHSA-N 451.430 4.114 50 10 JIGE C[C@@]12CN(Cc3ccccc3)C[C@@]1(C)CN(S(=O)(=O)c1cc(CBr)cs1)C2 2179810982 IIUZGLJRKJAYFE-PMACEKPBSA-N 469.470 4.176 50 10 JIGE O=S(=O)(c1ccc(CCl)c(Br)c1)N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 2188888928 WYZVMDOLGZEBIE-XLIONFOSSA-N 469.832 4.083 50 10 JIGE CC1(C)C[C@@H](CNS(=O)(=O)c2ccc(CBr)cc2)CN1Cc1ccccc1 2188956333 MWPURJBLVFVVLZ-IBGZPJMESA-N 451.430 4.161 50 10 JIGE C[C@@H]1CCc2c(sc(NC(=O)C(C#N)=Cc3cccn3-c3ccc([N+](=O)[O-])cc3)c2C(N)=O)C1 2296818968 GMTHXROMKQUXNN-CQSZACIVSA-N 475.530 4.216 50 10 JIGE N#CC(=CNCc1ccc(F)cc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324607211 TVAPKYBLDJYRHJ-UHFFFAOYSA-N 454.549 4.257 50 10 JIGE BrCc1cccc(Br)c1OCc1ncc(I)cn1 2327892991 BGUQUDXHNIMORA-UHFFFAOYSA-N 483.929 4.318 50 10 JIGE Fc1cccc(CNCC(F)(F)C(F)(F)CI)c1Br 2336534195 MJVXFFXFQIAEEH-UHFFFAOYSA-N 458.006 4.383 50 10 JIGE CC1(C)[C@H](CBr)OCCN1Cc1ccc(Cl)cc1I 2341058189 CGFSRIWYDWIHHH-ZDUSSCGKSA-N 458.565 4.319 50 10 JIGE Cl[C@H]1[C@@H](NCc2ccc(I)c(Br)c2)COC12CCC2 2349857546 NZVOYXZQANJKON-STQMWFEESA-N 456.549 4.072 50 10 JIGE FC(F)(F)c1cnc(N2[C@H]3CC[C@@H]2C[C@@H]3CBr)c(I)c1 2354254382 JPHXYBVQLVQHJV-ZOFUNIGCSA-N 461.063 4.457 50 10 JIGE Clc1ccc(CN2C[C@H](Br)C3(CCOCC3)C2)c(I)c1 2366738807 PZVMVEQQBDBHIY-AWEZNQCLSA-N 470.576 4.321 50 10 JIGE Cn1ncc(I)c1-n1c(CCl)nc2cc(Br)c(F)cc21 2381855743 CXKOPNGAPSYCFD-UHFFFAOYSA-N 469.483 4.004 50 10 JIGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)COc3ccc(Br)cc3C)cc2)c1 12488537 PDQXULOKQMTSLW-UHFFFAOYSA-N 496.361 4.158 50 10 JIGE O=C(COc1ccc(Cl)cc1Cl)NNC(=O)COc1ccc(Br)cc1Cl 13977957 DKYVFLHWQZQTKM-UHFFFAOYSA-N 482.545 4.015 50 10 JIGE CCCC(=O)Nc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2C(C)(C)C)cc1 14668201 PFWBBROVBRALHK-UHFFFAOYSA-N 490.398 4.325 50 10 JIGE CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccccc3[N+](=O)[O-])ccc21 38650458 PUQISCBYXAKHLC-VWLOTQADSA-N 487.468 4.196 50 10 JIGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4)ccc32)c1 38684523 FFUJJPUKGQHITA-AREMUKBSSA-N 454.482 4.454 50 10 JIGE CCOc1cccc(/C=N\NC(=O)c2ccc3[nH]c(Cc4ccc(OC)c(OC)c4)nc3c2)c1 169925469 HZHMXKTVCZJEIR-YUMHPJSZSA-N 458.518 4.334 50 10 JIGE CCCOc1ccc(C=NNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 252630529 VBNRHYXJRRAJRB-UHFFFAOYSA-N 465.575 4.129 50 10 JIGE CC(=NNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1C)c1ccc(F)cc1 254312920 VIOUOOZPVGDFQN-UHFFFAOYSA-N 460.534 4.466 50 10 JIGE Cc1ccc(-n2c(SCC(=O)NN=Cc3cccc([N+](=O)[O-])c3)nnc2-c2ccccc2)cc1 254624571 MZICXMIHKLHRAT-UHFFFAOYSA-N 472.530 4.393 50 10 JIGE Cc1cccc(C)c1OCC(=O)NN=Cc1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 254822536 JJJDIQQERBBATD-UHFFFAOYSA-N 464.434 4.441 50 10 JIGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc(C)c(C)c3)cc2OC)cc1 254845170 IIUVVNOJDRSILI-UHFFFAOYSA-N 462.502 4.069 50 10 JIGE CC(C)[C@@H](CI)NCc1cc(Cl)ccc1I 405548114 XRPYZDMROBVZGP-GFCCVEGCSA-N 463.528 4.494 50 10 JIGE CC(C)NC(=O)Nc1ccccc1C(=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1 768291286 KRACEYOSWBUZBR-UHFFFAOYSA-N 464.497 4.009 50 10 JIGE COc1ccccc1[C@H](C)NC(=O)[C@@H](C)OC(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C 855281899 DWOJGEQLGOMYEM-NOKSLSCPSA-N 451.567 4.486 50 10 JIGE O=C(NN=Cc1cc(Br)cc(Br)c1O)c1ccc(Cl)c([N+](=O)[O-])c1 1084574351 UNLGUNMZYQDHHF-UHFFFAOYSA-N 477.496 4.243 50 10 JIGE CC(C)(C)OC(=O)NCc1ccc(NS(=O)(=O)c2ccc(CBr)cc2)cc1 1260509846 NPYRDWYDNMGJME-UHFFFAOYSA-N 455.374 4.407 50 10 JIGE N#C/C(=C\c1cc(Br)c(O)c(Br)c1O)c1nc(O)c2ccccc2n1 1872726946 VVYSZOJYTHDVLB-WEVVVXLNSA-N 463.085 4.336 50 10 JIGE CN(C[C@H](Br)COCc1ccccc1)C(=O)c1sccc1I 1916370988 PTNJXSYFARSYLD-ZDUSSCGKSA-N 494.192 4.405 50 10 JIGE O=C(CBr)c1cc(I)cc(Br)c1Br 2054853638 YMEFZSWJVUDCRA-UHFFFAOYSA-N 482.735 4.394 50 10 JIGE O=S(=O)(c1cc(CBr)oc1Br)N1CC[C@H](COCc2ccccc2)C1 2059264926 MSHDLQAJVJIYQH-AWEZNQCLSA-N 493.217 4.164 50 10 JIGE O=C(CBr)c1c(I)ccc(OC(F)F)c1OC(F)(F)F 2060372946 TVCIZSWTYQOYTF-UHFFFAOYSA-N 474.945 4.369 50 10 JIGE Cc1cc(S(=O)(=O)NCCSSCCNC(=O)OC(C)(C)C)sc1Br 2061270573 PKIHLPMRWAUMIN-UHFFFAOYSA-N 491.520 4.003 50 10 JIGE CCC(CCl)(CCl)NC(=O)c1ccc(Br)cc1I 2086146781 FFNRIAYCOLUKCB-UHFFFAOYSA-N 464.956 4.410 50 10 JIGE CN1CCN(Cc2cccc(Br)c2Br)[C@H](CCBr)C1 2138083004 MJHWFTOULOJYFW-GFCCVEGCSA-N 455.032 4.113 50 10 JIGE O=C(Cc1ccccc1I)N1CCC[C@H](CCBr)CC1 2149748891 RTICGWBBSAPLNN-CYBMUJFWSA-N 450.158 4.247 50 10 JIGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CC2(CC[C@@H]1CBr)CC2 2154155217 AQQUXVPCCUZPLJ-MRVPVSSYSA-N 463.644 4.492 50 10 JIGE BrCc1cc(Br)c(OC[C@@H]2C[C@@H]3OCC[C@H]3O2)c(Br)c1 2163234715 KRWSTZMJLIUJSO-BIMULSAOSA-N 470.983 4.432 50 10 JIGE CN(CC1CC(Br)C1)C(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@]1(C)C(F)(F)F 2196906909 KVYYTASAOHQLQH-GIOFZSJBSA-N 457.331 4.054 50 10 JIGE CC(C)(C)OC(=O)N1CC(O)(CN(CCCCCCBr)Cc2ccccc2)C1 2210042107 CPLZZKTVARGKAI-UHFFFAOYSA-N 455.437 4.426 50 10 JIGE C[C@@H](CCCCCI)NS(=O)(=O)Cc1ccccc1Br 2234501057 MKJNJHUTPYMRMF-LBPRGKRZSA-N 474.202 4.252 50 10 JIGE O=C(NN=Cc1cccc([N+](=O)[O-])c1)c1ccc(NC(=O)c2ccccc2Br)cc1 2296645902 ZGJFPVFXIVUJRX-UHFFFAOYSA-N 467.279 4.374 50 10 JIGE COc1ccc(C=CC(=O)Oc2cccc(C=NNC(=O)c3cc(OC)c(OC)c(OC)c3)c2)cc1 2297455272 JMRNPQVNQOAORU-UHFFFAOYSA-N 490.512 4.104 50 10 JIGE CO[C@@H]1[C@H](Br)C[C@H]1OCc1cc(I)ccc1Br 2302823436 ZYFAZUZSHRLWNC-IJLUTSLNSA-N 475.946 4.121 50 10 JIGE COc1ccc(NC(=O)COc2ccc(C=C(C#N)c3nc(O)c4ccccc4n3)cc2)cc1 2314432554 BZKDNMHVNFPCCF-UHFFFAOYSA-N 452.470 4.426 50 10 JIGE COCCN(Cc1ccc(I)c(Br)c1)C[C@H](C)Br 2325213468 KMDTZVDTAKFALU-JTQLQIEISA-N 491.005 4.286 50 10 JIGE CCOC(=O)c1c(C)nn(-c2cccc(F)c2)c1NC(=O)C(C#N)=Cc1ccc(OC)c(OC)c1 2329703324 ZGKOTZYXYPFZLF-UHFFFAOYSA-N 478.480 4.059 50 10 JIGE C=CC[C@@H](Br)[C@@H]1CCN1C(=O)c1cc(Cl)ccc1I 2335816334 CIWBJYNRKSNALH-YPMHNXCESA-N 454.533 4.499 50 10 JIGE Clc1ccc(CN2CCO[C@@H]3C[C@@H](Br)C[C@H]32)cc1I 2337219888 XRSJDIGWUBEKJS-ZLKJLUDKSA-N 456.549 4.071 50 10 JIGE Cc1ccc(O[C@H](C)C(=O)NNC(=O)COc2c(Cl)cc(Cl)cc2Br)cc1C 10153468 QABKLLUZWICXLM-GFCCVEGCSA-N 490.181 4.366 50 10 JIGE O=C(CCCNc1ccc(Br)cc1)N/N=C/c1cc(Br)ccc1O 59507573 BLMHWCFFGONNHK-SRZZPIQSSA-N 455.150 4.260 50 10 JIGE COc1ccc(C(=O)NNC(=O)[C@H](C)c2ccc(CC(C)C)cc2)cc1I 66199249 DHSMKGADOXPFNK-CQSZACIVSA-N 480.346 4.063 50 10 JIGE CC[C@](C)(CBr)NS(=O)(=O)c1cc(Br)ccc1Br 136576274 QRENQZLEWCNPMA-LLVKDONJSA-N 464.017 4.054 50 10 JIGE CC(C)[C@@H](CI)NC(=O)c1cc(Cl)ccc1I 232695245 CSKFUJXIMJIROA-LLVKDONJSA-N 477.511 4.134 50 10 JIGE Cc1ccc2occ(C=NNC(=O)COc3ccccc3-c3ccnn3-c3ccccc3)c(=O)c2c1 252606809 GVMORENYQVGDRD-UHFFFAOYSA-N 478.508 4.483 50 10 JIGE Cc1ccc(C=NNC(=O)COc2c(Br)cc(Br)cc2Br)o1 252629071 TXZXNTXKYKSXJM-UHFFFAOYSA-N 494.965 4.405 50 10 JIGE COc1cc(C=NNC(=O)c2cccs2)ccc1OCC(=O)Nc1c(C)cc(C)cc1C 254313599 WAPSOEYLDPBHRJ-UHFFFAOYSA-N 451.548 4.463 50 10 JIGE C[C@@H](Sc1nc2ccccc2[nH]1)C(=O)NN=Cc1cc(Cl)cc(Br)c1O 254760334 WXAULPRWJVGLGM-SECBINFHSA-N 453.749 4.315 50 10 JIGE C[C@H]1CCN(C(=O)c2ccc(I)c(Br)c2)[C@@H]1CBr 721614073 NRAIRZABZIFKRK-QPUJVOFHSA-N 486.973 4.299 50 10 JIGE Cc1nc(-c2ccc(CNC(=O)NNC(=O)c3cc(F)ccc3Br)s2)cs1 728740678 FCKLJRVMRDUKDF-UHFFFAOYSA-N 469.361 4.226 50 10 JIGE CC(C)N1CCC(NC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)CC1 914751074 AKDWTKVFXXLMAN-XMHGGMMESA-N 450.974 4.013 50 10 JIGE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NNc2ncccc2C)ccc1Cl 1138235823 SKKQNCIQODOEBL-UHFFFAOYSA-N 456.955 4.182 50 10 JIGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(N3CCCC[C@H]3C)cc2C)cc1 1668012464 HQRIMCYZWRVYJZ-IEBWSBKVSA-N 452.555 4.197 50 10 JIGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)cc2)cc(Cl)c1O 1865706736 DPLCOXTZPZNSKG-IBGZPJMESA-N 457.317 4.479 50 10 JIGE CC[C@](C)(NC(=O)[C@@H]1CCCN1Cc1ccccc1F)C(=O)Nc1ccc(SC#N)cc1 1866919288 LOZUNUWMEAFGIO-URXFXBBRSA-N 454.571 4.287 50 10 JIGE N#C/C(=C\c1ccccc1)C(=O)NC1=C(c2nc3ccccc3s2)C(=O)CN1Cc1ccco1 1873766238 WSFGNSOOJAUGOD-QGOAFFKASA-N 466.522 4.366 50 10 JIGE Cc1nsc(Br)c1C(=O)N[C@@H](CCBr)COCc1ccccc1 1902792373 JHKYKUBZQVKEAL-ZDUSSCGKSA-N 462.207 4.314 50 10 JIGE Clc1ccc(I)c(CN2C[C@H](Br)C[C@@]3(CCCO3)C2)c1 1924311252 WOGNRCDWUIVXTI-DOMZBBRYSA-N 470.576 4.463 50 10 JIGE FC(F)(F)c1cnc(N2C[C@@H](Br)CC3(CC3)C2)c(I)c1 1926413324 FHVRCPSJLZFPCE-VIFPVBQESA-N 461.063 4.459 50 10 JIGE C[C@H](Br)c1ccccc1NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2089707023 JERVBRROTBJBGO-HNNXBMFYSA-N 479.396 4.351 50 10 JIGE CC1(C)CN(C(=O)c2ccc(Br)cc2I)C[C@@H]1CCl 2142282376 CLPIUFASQIKZLZ-VIFPVBQESA-N 456.549 4.391 50 10 JIGE CC1(C)CCN(C(=O)c2ccc(F)cc2I)C[C@H]1CBr 2148655411 SKEIWJJZVNEVGA-SNVBAGLBSA-N 454.121 4.314 50 10 JIGE C[C@@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2C(=O)c1cc(I)ccc1F 2169660336 BKBBBUJLNWBQHT-QLXFMQRKSA-N 452.105 4.207 50 10 JIGE Cc1cc(S(=O)(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)ccc1CBr 2179785131 IDBUISDTYNWCEO-SFHVURJKSA-N 451.430 4.175 50 10 JIGE Clc1cc(CN2C[C@H](Br)C3(CCOCC3)C2)ccc1I 2208041931 CBQWKXFONFOHMC-AWEZNQCLSA-N 470.576 4.321 50 10 JIGE CCN(CC)c1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)C(C#N)=Cc1ccc(OC)cc1 2297397800 TZSBTTPHICYTJV-UHFFFAOYSA-N 484.622 4.118 50 10 JIGE COc1ccc(C(C#N)=Cc2cccc(OC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)c2)cc1OC 2320511453 WWUBGFQHKJCIHG-UHFFFAOYSA-N 492.553 4.237 50 10 JIGE N#CC(=Cc1cccc(F)c1)C(=O)N[C@H](CC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 2329667478 VPBDVQNLIVPEFN-RUZDIDTESA-N 486.499 4.094 50 10 JIGE O=C(N[C@H]1C[C@@H](CCl)[C@@H]2C[C@@H]12)c1ccc(Br)cc1I 2333351194 SXVYBBRSIGBBBJ-CXSMTQNASA-N 454.533 4.047 50 10 JIGE CN(Cc1c(Br)cccc1Br)S(=O)(=O)C1CC(CBr)C1 2366187396 JPEAEZQAYWWLNO-UHFFFAOYSA-N 490.055 4.147 50 10 JIGE COc1ccc(/C=N/NC(=O)COc2c(C)cc(Br)cc2Br)c(OC)c1 20116055 JCIPNFQWLUJXLF-ZVBGSRNCSA-N 486.160 4.066 50 10 JIGE CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 27520174 ALVREYSHPJCEFA-YZSQISJMSA-N 459.506 4.457 50 10 JIGE COc1ccc(CNC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)cc1 39850247 UOBNDWYKWGKAMX-FYJGNVAPSA-N 478.508 4.500 50 10 JIGE C[C@H](SCc1ccccc1)C(=O)N/N=C1\C(=O)N(CCOc2ccccc2)c2ccccc21 59146978 KCMMZFQGCXVYKD-ADKFBQBXSA-N 459.571 4.254 50 10 JIGE CCOc1ccccc1C=NNC(=O)CCCCCC(=O)NN=Cc1ccccc1OCC 254391319 UTMIFVHBPSKKHQ-UHFFFAOYSA-N 452.555 4.035 50 10 JIGE C[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NN=Cc1c(-c2ccccc2)nc2ccccn12 254401017 UAVWBSWPQGUROO-DKODJIDWSA-N 469.589 4.173 50 10 JIGE O=C(CNc1cccc(Br)c1)NN=Cc1cc(Br)c(Br)o1 254820939 LZHCOWVAOFCPTE-UHFFFAOYSA-N 479.954 4.129 50 10 JIGE C[C@H]1CN(Cc2ccccc2)CCN(S(=O)(=O)c2cc(CCl)sc2Br)C1 323408980 DAVLASSOGAIEHE-AWEZNQCLSA-N 477.877 4.392 50 10 JIGE Cc1nn(C)c2c1nc(CCl)n2-c1cc(Br)ccc1I 380186518 BYBZRKRWFSOFHV-UHFFFAOYSA-N 465.520 4.173 50 10 JIGE CCOc1ccc(C=NNC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)cc1 1084411891 IPQWWPGUBAKISB-UHFFFAOYSA-N 465.575 4.048 50 10 JIGE Cc1ccc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)Nc3ccc(SC#N)cc3)cc2)cc1 1858989678 SYIXSCYUBRUABI-UHFFFAOYSA-N 494.598 4.051 50 10 JIGE CCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1cc(OC)c(OC)cc1OC)C(C#N)=C(N)O2 1865712043 OOLAQSCBPNZGIU-OAQYLSRUSA-N 466.925 4.332 50 10 JIGE O=C(C[n+]1ccccc1)N/N=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2033809281 VUDHEICLZARIMF-VUTHCHCSSA-O 452.534 4.282 50 10 JIGE CCOC(=O)c1cc(I)c(OC(F)(F)F)c(CBr)c1 2055273544 ZNUOHQWZHRACKL-UHFFFAOYSA-N 452.992 4.261 50 10 JIGE O=C(c1scc(Br)c1Br)N1[C@H](CBr)C[C@H]2OCC[C@@H]21 2090536094 XELYYGOLYOBNPP-CNUIFLNQSA-N 474.012 4.040 50 10 JIGE BrCc1cc(Br)c(OC[C@@H]2COCCCO2)c(Br)c1 2097729999 WZVPYBMHAKJFFU-JTQLQIEISA-N 458.972 4.291 50 10 JIGE O=S(=O)(CCC(CCl)CCl)Nc1ccc(Cl)cc1I 2104650061 UWUPLYOCVBSEAC-UHFFFAOYSA-N 456.560 4.170 50 10 JIGE CC1(C)C[C@@H](Br)CCN(C(=O)Cc2ccccc2I)C1 2143873195 OUZHHSWTADCNMV-ZDUSSCGKSA-N 450.158 4.246 50 10 JIGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@@H](CCBr)C1CCCCC1 2145921574 YBAYEEYMJMGNGE-FQEVSTJZSA-N 499.471 4.106 50 10 JIGE COc1nccc(COc2c(Br)cc(CBr)cc2Br)n1 2163836440 WFLKRQOPIIHTRQ-UHFFFAOYSA-N 466.955 4.484 50 10 JIGE CN(C(=O)Cc1ccccc1I)[C@@H](CCBr)C(F)(F)F 2178511506 JMBRXMMVIQQJNL-NSHDSACASA-N 464.063 4.008 50 10 JIGE O=C(NCC[C@H]1CCCC[C@H]1Br)c1ccc(I)c(O)c1 2179637984 VLFZIWNYURUZNR-ZYHUDNBSSA-N 452.130 4.070 50 10 JIGE O=S(=O)(c1ccc(CBr)s1)N1CCN(Cc2ccccc2)C[C@H]1C(F)(F)F 2186716998 YVYOZPVNVWUOGU-HNNXBMFYSA-N 483.375 4.080 50 10 JIGE COCCNCc1cc(Br)c(OC[C@@H]2C[C@H]2Br)c(Br)c1 2196906906 KVDNJRDXPHOXIH-WDEREUQCSA-N 472.015 4.110 50 10 JIGE Cc1c(Br)cc(CBr)cc1S(=O)(=O)N(C)C[C@@H]1C[C@H]1Br 2196936157 QEMMCOVRWYYOPY-CMPLNLGQSA-N 490.055 4.056 50 10 JIGE CC1=C(Br)CCN(S(=O)(=O)c2ccc(Br)c(CBr)c2)C1 2197872948 UXZFBYGZWCJISF-UHFFFAOYSA-N 488.039 4.407 50 10 JIGE CN(CC1CC(Br)C1)c1nc([C@H](CCC(=O)O)NC(=O)OC(C)(C)C)cs1 2198782268 BGWFPRWWGWTBIX-BPCQOVAHSA-N 462.410 4.183 50 10 JIGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1C[C@@H](Br)C[C@@H](F)C1 2234679327 KTMHGTOPJVDLHY-JGVFFNPUSA-N 469.985 4.252 50 10 JIGE CNC(=O)C(C#N)=C1S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(C)c(C)c1 2314593619 PZRPLIVIRQQMMN-IBGZPJMESA-N 470.392 4.238 50 10 JIGE C[C@](N[C@H]1C[C@@H](Br)C1)(C(=O)O)c1cc(Br)c(Br)s1 2326512639 IIPDFUDHMBSDME-LJNABYEQSA-N 462.001 4.088 50 10 JIGE O=C(c1cc(Br)c(Br)s1)N(CCBr)C1CCOCC1 2353567735 YOGLVRKCRKSETC-UHFFFAOYSA-N 476.028 4.289 50 10 JIGE O=C(N/N=C/c1cc2c(cc1Br)OCO2)c1ccc(Oc2ccc(O)cc2)cc1 3668965 NGGKFJXPGVMLRZ-FOKLQQMPSA-N 455.264 4.440 50 10 JIGE O=C(COc1ccc(Br)cc1Cl)NNC(=O)COc1ccccc1-c1ccccc1 13979971 ADSWFHUNTGRFAE-UHFFFAOYSA-N 489.753 4.375 50 10 JIGE CCCCOc1cccc(C(=O)NC(=S)NNC(=O)COc2ccccc2-c2ccccc2)c1 14041922 JBSLUHDEDGMLKJ-UHFFFAOYSA-N 477.586 4.247 50 10 JIGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc([N+](=O)[O-])c2)c1C 38654028 GKJMEEVCEYIVJN-VWLOTQADSA-N 471.469 4.414 50 10 JIGE COc1ccc(Br)cc1/C=N/NC(=O)COc1c(C)cc(C)cc1Br 97136497 OFLSZZBFFYGJNJ-ZVBGSRNCSA-N 470.161 4.366 50 10 JIGE CCOc1ccc(NC(=O)/C(C#N)=C\c2c(N3CCC[C@H](C)C3)nc3c(C)cccn3c2=O)cc1 97494944 FBHKEJNUYJVSMN-BAOGPQIGSA-N 471.561 4.184 50 10 JIGE CCOc1ccc(/C=N\NC(=O)c2cccn(Cc3ccc(Cl)cc3)c2=O)c(OCC)c1 169920305 PRXLNOPCYMPIRW-YSMPRRRNSA-N 453.926 4.111 50 10 JIGE C[Si](C)(C)OC[C@H]1OC(=O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C 198765386 VNGTZLYNGGLPIZ-VQHPVUNQSA-N 466.872 4.424 50 10 JIGE CCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc(/C=C(\C#N)C(=O)OCC)cc2OC)cc1 206311004 YSDMETQTQCDWCZ-GYICUJRQSA-N 460.486 4.467 50 10 JIGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(C(=O)OC)cc2)sc2c1CC[C@@H](C)C2 209405676 LTEUASDGTSPDKV-MTOJCTJASA-N 452.532 4.382 50 10 JIGE O=C(NC1(CBr)CCCC1)c1cc(I)ccc1Br 232476033 KUBDCTZJTXQXPZ-UHFFFAOYSA-N 486.973 4.491 50 10 JIGE CSc1nc(C)cc(SCC(=O)NN=Cc2ccc(N(CCCl)CCCl)cc2)n1 254571217 ULVPLAXUDLOZHJ-UHFFFAOYSA-N 472.467 4.033 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CCC[C@H](Br)CC1 378713133 VTQBYKGGYDZGIO-VIFPVBQESA-N 486.973 4.443 50 10 JIGE Cc1cc(/C=C(\C#N)C(=O)NC2CCN(C(=O)CC(C)C)CC2)c(C)n1-c1ccc(F)cc1 748723965 CENNLARGFMWQDO-RCCKNPSSSA-N 450.558 4.294 50 10 JIGE C=CCC[C@H](C(=O)NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)c1ccccc1 1135729102 DVMOJNSZZBOJOG-QHCPKHFHSA-N 451.530 4.445 50 10 JIGE C/C(=C/c1ccc(OC(F)(F)F)cc1)C(=O)NNc1ccc(S(=O)(=O)C(F)F)cc1 1137651926 VDCJPLQIHYERQF-KHPPLWFESA-N 450.385 4.128 50 10 JIGE Cc1c(C(=O)N2CCc3ccccc3C2)oc2c1C(=NNC(=O)c1cccc([N+](=O)[O-])c1)CCC2 1772746253 SXTUFNZIYFJPTD-UHFFFAOYSA-N 472.501 4.165 50 10 JIGE CCc1ccc(-c2ccc(C(=O)NNC(=O)c3ccccc3I)c(C)n2)cc1 1865758826 SWZPTJVJZGSSBX-UHFFFAOYSA-N 485.325 4.299 50 10 JIGE COc1ccc(CCCC(=O)N[C@@H](CCSC)C(=O)Nc2ccc(SC#N)cc2)cc1OC 1866786259 NPSHTPUCMXUPFJ-FQEVSTJZSA-N 487.647 4.476 50 10 JIGE C[C@@H](Br)[C@@H]1CCN1Cc1ccc(I)c(Br)c1 1904346994 YJJCNEFNFJCMNK-PELKAZGASA-N 458.963 4.411 50 10 JIGE CN(Cc1nn(C)cc1Br)c1cc(Br)ccc1CBr 1912463954 YAKOSDVPKNYMDG-UHFFFAOYSA-N 451.988 4.476 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1CC[C@@H](Br)C12CCC2 1914420381 GQAYEJZPEQMCGQ-GFCCVEGCSA-N 488.039 4.292 50 10 JIGE BrCC[C@@H]1CCCN1c1ncc(I)cc1Br 1988539821 PFKPUYZTJLBCFM-VIFPVBQESA-N 459.951 4.203 50 10 JIGE O=C(c1cc(Br)ccc1Br)N1CCC(CI)CC1 2037335213 YMAXRVJRRNMORY-UHFFFAOYSA-N 486.973 4.499 50 10 JIGE O=C(Nc1cc(Br)ccc1I)N1CCC(Br)CC1 2043825314 SZDXNBJQYAJBOJ-UHFFFAOYSA-N 487.961 4.445 50 10 JIGE CSCC[C@H](Br)CCNS(=O)(=O)c1cc(Br)sc1C 2090377433 RUMBOAOOAQHVFH-SECBINFHSA-N 451.271 4.004 50 10 JIGE Cc1cc(Br)c([C@H](Br)[C@H]2[C@H]3CS(=O)(=O)C[C@H]32)cc1Br 2117953811 SDBHFOCYXDWIHF-FQPOAREZSA-N 473.024 4.247 50 10 JIGE O=C(N[C@@H]1CC[C@H]2C[C@@]21CBr)c1ccc(Br)cc1I 2142278777 HWSJIPRNTHXJKA-REAQECSSSA-N 498.984 4.347 50 10 JIGE CC(C)(C)OC(=O)N1CC[C@H](C(F)(F)F)N(C(=O)[C@H](Br)C2CCCC2)CC1 2167034419 RSTVRBIMFVXWTK-ZIAGYGMSSA-N 457.331 4.340 50 10 JIGE Cc1ccc(S(=O)(=O)N2CC3(CC(OCc4ccccc4)C3)C2)cc1CBr 2179775740 NQORJXXLZZNZLJ-UHFFFAOYSA-N 450.398 4.260 50 10 JIGE O=S(=O)(c1ccc(CBr)c(Cl)c1)N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 2188885006 LVMGDMHYGBYPON-XLIONFOSSA-N 469.832 4.130 50 10 JIGE C[C@H]1CN(S(=O)(=O)c2cc(CBr)sc2Br)CCC1(F)F 2206233935 TXYJNLGOJLHIEE-ZETCQYMHSA-N 453.168 4.071 50 10 JIGE CC[C@@H]1[C@@H](Br)CCN1C(=O)c1cc(I)ccc1Br 2260414977 MJMJNISTMARJRC-NWDGAFQWSA-N 486.973 4.442 50 10 JIGE COc1cc([N+](=O)[O-])ccc1-c1ccc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)o1 2313545959 RUAWJCDLWKXJMK-UHFFFAOYSA-N 458.474 4.119 50 10 JIGE CCOc1cc(C=C(C#N)C(=O)N(C)C)cc(Br)c1OCc1ccc(C(=O)O)cc1 2313568363 RKTYYGLCVXOBNB-UHFFFAOYSA-N 473.323 4.120 50 10 JIGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)C=Cc2cccc3ccccc23)cc1 2313633888 WLNDRKYPGHSIDM-GOSISDBHSA-N 461.587 4.467 50 10 JIGE CCc1cccc(OCC(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2OC)c1 2314737594 AOZKAUBFPALDDJ-UHFFFAOYSA-N 460.486 4.058 50 10 JIGE O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)NN=Cc1ccccc1Br 2325903797 KTGVYMNNGQMNJV-UHFFFAOYSA-N 467.348 4.038 50 10 JIGE N#CC(=Cc1ccc(OCC(=O)Nc2ccccc2)cc1)c1cc2c(cc1[N+](=O)[O-])OCCO2 2331051376 GORIOTZUYDNLNE-UHFFFAOYSA-N 457.442 4.448 50 10 JIGE CC(C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc5c(c4)OCO5)cs3)cc2C1=O 2331333957 QVWBBYPVVHBEIF-UHFFFAOYSA-N 459.483 4.493 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1CC2(CC2)C[C@@H]1CBr 2340066788 UUIRNPQAXVZRGN-SNVBAGLBSA-N 454.533 4.334 50 10 JIGE C[C@]1(CBr)COCCN(Cc2cc(I)ccc2Cl)C1 2352416612 XBZXKFKXLPACSR-CQSZACIVSA-N 458.565 4.178 50 10 JIGE COc1c(Br)cc(C)c([C@@H](Br)[C@H]2CCS(=O)(=O)C2)c1Br 2365184317 OXNYJJNJYOFYNK-KWQFWETISA-N 491.039 4.399 50 10 JIGE CCCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccccc1Br 14033099 AJNCXAUIHRZAHC-UHFFFAOYSA-N 478.412 4.358 50 10 JIGE N#C/C(C(N)=O)=C1\S[C@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(Br)cc1 33389429 MNWIEBHWUGVUTQ-ORMOWBNMSA-N 462.756 4.014 50 10 JIGE CCOc1cc(/C=N\NC(=O)c2ccc3[nH]c(Cc4ccc(OC)cc4)nc3c2)ccc1OC 169925520 JJEJAFMORWRYSN-YUMHPJSZSA-N 458.518 4.334 50 10 JIGE O=S(=O)(NCCCCCCI)c1ccc(Cl)c(F)c1Cl 236145729 NUQPAYXHUNEICS-UHFFFAOYSA-N 454.132 4.406 50 10 JIGE COc1ccc(/C=C/C=NNC(=O)/C(=C\c2cc(OC)ccc2OC)NC(=O)c2ccccc2)cc1 254386092 RRQPPYWJGWTBGC-CHGFJEBJSA-N 485.540 4.299 50 10 JIGE CC(C)CC(=O)N[C@@H](Oc1ccc(C=NNC(=O)c2ccncc2)cc1)C(Cl)(Cl)Cl 254758848 HAWYHONAHSTGNN-IBGZPJMESA-N 471.772 4.083 50 10 JIGE COc1ccc(C=NNC(=O)CSc2nnc(SCc3ccccc3)s2)cc1OC 254826775 LOCIRLRRPJOVKA-UHFFFAOYSA-N 460.606 4.090 50 10 JIGE Cc1cc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)ccc1O 383420492 OKZBRXCKNWNNEY-MSOLQXFVSA-N 451.304 4.488 50 10 JIGE C[C@H]1[C@H](Br)CCCN1S(=O)(=O)c1cc(Br)ccc1Br 395019767 XZTQBLKUYYQBJU-WCBMZHEXSA-N 476.028 4.148 50 10 JIGE COc1ccc(-c2nc(CC(=O)NNC(=O)c3ccc(C(C)(C)C)cc3)cs2)cc1OC 754104625 WELBYGCORGMPON-UHFFFAOYSA-N 453.564 4.129 50 10 JIGE COc1ccc(C(=O)NN=Cc2cc(Br)ccc2OC(=O)Cc2ccccc2)cc1 1083891841 UTMLREHFGQFJSI-UHFFFAOYSA-N 467.319 4.370 50 10 JIGE CCOc1cc(C=NNC(=O)c2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1084102197 OJQBWPAARVDVNI-UHFFFAOYSA-N 478.501 4.094 50 10 JIGE CCOC(=O)COc1cc(Br)c(C=NNC(=O)c2cc3ccccc3o2)cc1OCC 1084508223 RKCXSWLHGIYMEN-UHFFFAOYSA-N 489.322 4.300 50 10 JIGE COc1cc([N+](=O)[O-])c(OC)cc1SCC(=O)NNC(=S)Nc1cc(Cl)ccc1Cl 1088727797 GNRSPZPPFVLGTM-UHFFFAOYSA-N 491.378 4.029 50 10 JIGE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(OC)c(OC)c1 1641103348 CCSLXGDIIQCDOB-YMJAZKHTSA-N 457.534 4.098 50 10 JIGE COC(=O)c1ccccc1N(C)C(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(F)cc1)CCC2 1772744538 FGKCXEHRAUJOFH-UHFFFAOYSA-N 477.492 4.261 50 10 JIGE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1cc(OC)c(OC)c(OC)c1)C(C#N)=C(N)O2 1865693444 VNDMRDVEKPTQLW-NRFANRHFSA-N 480.952 4.391 50 10 JIGE C[C@H](Br)[C@H]1CCCN1S(=O)(=O)c1cc(Br)ccc1Br 1879176040 GUZWRFGUDYUWPC-GZMMTYOYSA-N 476.028 4.148 50 10 JIGE O=C(N[C@@H](CCCl)C(F)(F)F)c1cc(I)ccc1Br 1918575932 NDUSQCNIRUHQMD-VIFPVBQESA-N 470.454 4.343 50 10 JIGE CC[C@H](Br)CN(C)C(=O)c1ccc(Br)cc1I 2026221421 LLZVIHQVPNLLET-QMMMGPOBSA-N 474.962 4.299 50 10 JIGE O=C(NCCC1(CBr)CC1)c1ccc(Br)cc1I 2086151449 ODWNRBHVUDQWCY-UHFFFAOYSA-N 486.973 4.349 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CC(F)(F)C[C@@H]1CCl 2102794119 GABQKRFKYGJWKG-MRVPVSSYSA-N 464.475 4.142 50 10 JIGE O=C(c1cccc(F)c1I)N1CCC[C@H](CCBr)CC1 2149748776 QZWWITBUMRWMGK-LLVKDONJSA-N 454.121 4.458 50 10 JIGE Cc1sc(Br)cc1S(=O)(=O)N1CC(F)(F)C[C@@]1(C)CBr 2159047815 YJNMBGUIPAZWSS-JTQLQIEISA-N 453.168 4.002 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1CC[C@]12C[C@@H](CBr)C2 2182212663 AMTPVJXCVGVWDQ-GMZHKTEUSA-N 488.039 4.150 50 10 JIGE CN(C[C@H]1C[C@@H]1Br)C(=O)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229117488 ZZPLLDTYAOMQEG-KBMXLJTQSA-N 490.236 4.127 50 10 JIGE O=S1(=O)CCC[C@H]1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2263519497 SHBGYYGUWQNBOW-RYUDHWBXSA-N 461.013 4.095 50 10 JIGE N#CC(=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1nn(CCO)c(N)c1C#N 2296737723 DTSCKBLSNNYJOA-UHFFFAOYSA-N 454.317 4.279 50 10 JIGE N#CC(=CNc1ccc(S(N)(=O)=O)cc1)c1nc(-c2ccc(Br)cc2)cs1 2296751267 GLNVYJYRSACKNV-UHFFFAOYSA-N 461.366 4.197 50 10 JIGE CCOC(=O)c1cc(Cl)c(NC(=O)C(C#N)=Cc2ccc(OCC)c(OC)c2)cc1OC 2314793119 MLMIHMTUKFYXSN-UHFFFAOYSA-N 458.898 4.478 50 10 JIGE O=S(=O)(N[C@@H]1C[C@@H]2C[C@H]1C[C@@H]2Br)c1cc(Br)ccc1Br 2355712611 GPVPYQCBDULWQJ-RJVLYZLMSA-N 488.039 4.052 50 10 JIGE Fc1cc(CBr)c(-n2cnc3c(I)ncnc32)cc1Cl 2362380182 PNXFHMVIIXYDAI-UHFFFAOYSA-N 467.467 4.108 50 10 JIGE Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=O)c2ccccc2OCCc2ccccc2)c1 10509066 UHLXLDYOLAMBCE-UHFFFAOYSA-N 459.546 4.105 50 10 JIGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)c3ccccc3)cc2)cc1 12500798 CPGSFTZPVJXXHG-UHFFFAOYSA-N 474.586 4.186 50 10 JIGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1 14030174 WIDGLQWHWAJHJU-UHFFFAOYSA-N 496.633 4.334 50 10 JIGE O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NNC(=O)c1cc(Cl)ccc1Cl 25257084 IGLJCMBPKMQWIN-UHFFFAOYSA-N 468.240 4.474 50 10 JIGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2cccc(Br)c2)cc1 40988188 NZTZMFQYBCAJDP-SFQUDFHCSA-N 457.324 4.257 50 10 JIGE CCOc1ccc(C(=O)NCC(=O)N/N=C/c2c(OC(=O)c3ccccc3)ccc3ccccc23)cc1 48572469 FNAJHXNUWWNODT-FDAWAROLSA-N 495.535 4.338 50 10 JIGE Cc1cccc(N2CCN(c3ncnc(NNC(=O)c4ccc(Cl)cc4Cl)c3N)CC2)c1C 54550737 RYFHZMYRROEFHL-UHFFFAOYSA-N 486.407 4.066 50 10 JIGE C=CCc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(Br)c1OCC(=O)O 59303790 ALLHDJIGWDRBTM-FOKLQQMPSA-N 457.280 4.151 50 10 JIGE C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1 107577582 UMRAKMPAVJONFM-APWZRJJASA-N 486.494 4.085 50 10 JIGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C\c2ccc(OCC)c(OC)c2)c(OC)c1 206233735 PGGYFMVIEOXHAM-CSKCXYSASA-N 451.475 4.191 50 10 JIGE C[C@H](Br)CCN(C)C(=O)c1cc(I)ccc1Br 235477208 WPLMHWRLVSBMMJ-QMMMGPOBSA-N 474.962 4.299 50 10 JIGE O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)NN=Cc1ccc(O)cc1 254368972 NUJRMAGVGQCRFR-UHFFFAOYSA-N 490.610 4.274 50 10 JIGE CCn1c(SCC(=O)NN=Cc2c(O)ccc3ccccc23)nnc1-c1ccc(OC)c(OC)c1 254382569 FPWKZHDGKIZRKQ-UHFFFAOYSA-N 491.573 4.083 50 10 JIGE C=CCn1c(S[C@H](C)C(=O)NN=Cc2ccc(O)cc2)nnc1-c1ccc(Br)cc1 254738836 MRGJZJQJEXRINR-CQSZACIVSA-N 486.395 4.230 50 10 JIGE CCCN(CCC)CN1C(=O)C(=NNC(=O)c2ccccc2)c2cc(Br)ccc21 254763310 ZBXJGGBVBBCUEG-UHFFFAOYSA-N 457.372 4.009 50 10 JIGE CC(C)(CCl)C(=O)NCc1nnnn1C(c1ccccc1)(c1ccccc1)c1ccccc1 536954594 OOTUDSHLHWMJPI-UHFFFAOYSA-N 459.981 4.395 50 10 JIGE Cc1cccc(C(=O)N[C@@H](CBr)CC(F)(F)F)c1I 717751922 ZVGLZVYOKLCKKI-MRVPVSSYSA-N 450.036 4.045 50 10 JIGE O=C(NNC(=O)c1ccc(Br)cc1Cl)N[C@@H]1CCCOc2ccc(F)cc21 728955979 IBUANUMNHMZSEN-OAHLLOKOSA-N 456.699 4.100 50 10 JIGE COc1ccc(C(C)=NNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1083935499 PSTQVHDNTBZYFI-UHFFFAOYSA-N 485.993 4.393 50 10 JIGE CCOc1ccc(C=NNC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1OCC 1084038104 QDSBIDPOHBSUMJ-UHFFFAOYSA-N 481.574 4.073 50 10 JIGE COc1ccccc1OCC(=O)NN=Cc1c(Br)c(C)n(-c2ccccc2)c1C 1084346127 UYRPLWPYGXRESU-UHFFFAOYSA-N 456.340 4.394 50 10 JIGE COC(=O)c1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)Cc1ccccc1)CCC2 1772748108 IKYWKJYXSRBACY-UHFFFAOYSA-N 459.502 4.026 50 10 JIGE COc1ccc(-c2csc(/C(C#N)=C(\O)CNC(=O)c3cc(OC)c(OC)c(OC)c3)n2)cc1F 1872752799 SPFRRCHJRLLGSF-SDXDJHTJSA-N 499.520 4.206 50 10 JIGE COC(=O)[C@@H](Br)Cc1cc(Br)c(Br)c(Br)c1 1938595829 GMZSDKRIHJAOSL-QMMMGPOBSA-N 479.788 4.453 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1CCC(CI)CC1 2037334000 GONIASLQBJNDSH-UHFFFAOYSA-N 489.522 4.232 50 10 JIGE CCOC(=O)Cc1c(CBr)ccc(C(F)(F)F)c1I 2055273096 RYKHZEBCARCNGM-UHFFFAOYSA-N 451.020 4.311 50 10 JIGE CN(Cc1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2cc(CCl)oc2Br)C1 2112848670 FVULUCUXHDHTAI-OAHLLOKOSA-N 461.809 4.066 50 10 JIGE CN(Cc1cn(C)nc1Br)c1cc(Br)ccc1CBr 2116625376 YPYRXVPTKUMRIY-UHFFFAOYSA-N 451.988 4.476 50 10 JIGE C[C@@H](CCCCCI)NS(=O)(=O)c1ccccc1Br 2117896121 XYHMMJZGGJRGDW-NSHDSACASA-N 460.175 4.111 50 10 JIGE O=C(c1ccc(F)cc1I)N1CC2(CC[C@@H]1CBr)CC2 2154165212 AKTFJERMFUOIGQ-LLVKDONJSA-N 452.105 4.210 50 10 JIGE O=C(c1ccc(F)cc1I)N1[C@H](CBr)C[C@@H]2CCC[C@@H]21 2164659172 MHSRLAWCKFDNAX-CHIMOYNISA-N 452.105 4.208 50 10 JIGE Clc1ccc(I)c(CN2CCC3(CC2)C[C@H](Br)CO3)c1 2173143807 QNKIZFFDLYSVPN-LBPRGKRZSA-N 470.576 4.463 50 10 JIGE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(CBr)cc2)C[C@@H]1C(F)(F)F 2186716660 VVMPUYZDPWXYNU-CQSZACIVSA-N 451.283 4.205 50 10 JIGE CN(CCCCC(F)F)S(=O)(=O)c1cc(CBr)sc1Br 2238482870 YYRHNUWERDOZSE-UHFFFAOYSA-N 455.184 4.461 50 10 JIGE C[C@@]12CN(C(=O)c3ccc(Cl)c(I)c3)C[C@@]1(CBr)C2 2268355182 PVZMZTTWSHIFBX-KGLIPLIRSA-N 454.533 4.192 50 10 JIGE COC(=O)c1cc(NC=C(C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc(C(=O)OC)c1 2296763955 NCSNDLPDWPKJPR-UHFFFAOYSA-N 463.471 4.089 50 10 JIGE COC(=O)c1c(NC(=O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)sc(C(C)=CC#N)c1C 2331557593 PFFQKTAZUDCABZ-GOSISDBHSA-N 465.531 4.029 50 10 JIGE O[C@@H](COc1cc(Br)cc(I)c1)Cc1nc(CCl)cs1 2364012033 MNRQZHKVXROZFF-LLVKDONJSA-N 488.572 4.231 50 10 JIGE O=C(c1cc(Br)sc1Br)N1CC2(CCOCC2)[C@H]1CBr 2381079415 UGIFDFJULIXEJD-SECBINFHSA-N 488.039 4.289 50 10 JIGE COc1ccc(OCC(=O)N/N=C/c2cc(Cl)cc(Br)c2O)c(Br)c1 3113213 SDKNCGZDENHGCB-IFRROFPPSA-N 492.551 4.108 50 10 JIGE CCOc1cc(C=NNC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 17167051 SKHVWXLQPALWAS-UHFFFAOYSA-N 490.516 4.392 50 10 JIGE COc1ccc(C(=O)Oc2ccc(/C=C(/C#N)C(=O)Nc3ccc([N+](=O)[O-])cc3)cc2OC)cc1 34897887 TZQCRTZNAKVYHS-AQTBWJFISA-N 473.441 4.377 50 10 JIGE CCN(c1ncnc(NNC(=O)c2ccc([N+](=O)[O-])cc2)c1[N+](=O)[O-])c1cccc2ccccc12 40589270 GSVGWIBPILAQDY-UHFFFAOYSA-N 473.449 4.361 50 10 JIGE Cc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)NCc4ccc5c(c4)OCO5)c(C)c32)cc1 40804520 VNRQOLANGMHTOY-TURZUDJPSA-N 459.502 4.026 50 10 JIGE CCOc1ccc(Br)cc1C(=O)N/N=C/c1cc(Br)cc(OC)c1O 96095907 SYZFXJUMASIHRC-AWQFTUOYSA-N 472.133 4.088 50 10 JIGE Cc1c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])oc2c1/C(=N\Nc1ccccc1)CC(C)(C)C2 101109074 MPQBLIUQYZVEAC-IMRQLAEWSA-N 475.505 4.360 50 10 JIGE C=CCNC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(OCC)cc1 101241814 QKYHEIKHKUMMOZ-YWDBVWQESA-N 467.978 4.467 50 10 JIGE CCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C\c2ccc(OCC)c(OC)c2)c(OC)c1 206504228 JWIMIBKZLWOKPI-XUPLFRGXSA-N 464.518 4.154 50 10 JIGE CC(=C/c1ccccc1)/C=C(\NC(=O)c1ccccc1)C(=O)NN=Cc1cccc([N+](=O)[O-])c1 254345483 ZLKJFDMRPNMYGE-UOXORDFKSA-N 454.486 4.462 50 10 JIGE CC(CC(=O)Nc1ccccc1)=NNC(=O)COc1cc(C)c(Br)cc1Br 254629937 NSDTXZWRRCNPRQ-UHFFFAOYSA-N 497.187 4.420 50 10 JIGE C/C(C=NNC(=O)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)=C\c1ccccc1 263627658 GSVZFVFFBZBSTG-RHPUJVOJSA-N 490.423 4.055 50 10 JIGE COCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)c1C 726536932 JEHGCQJNIBRHKL-BOURKTIISA-N 477.540 4.254 50 10 JIGE C[C@@H](OC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1)C(=O)NCc1ccccc1Cl 729344110 BDKWJPRHNFGFNG-ALDSOSFCSA-N 487.947 4.272 50 10 JIGE COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)c1C 913149916 HCDHLNBCCPAEJK-VELDVMJLSA-N 468.598 4.082 50 10 JIGE Cc1ccc(S(=O)(=O)Oc2ccc(C=NNC(=O)c3cc4ccccc4cc3O)cc2)cc1 1083906478 DZGHIIVQJKKZFN-UHFFFAOYSA-N 460.511 4.385 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2F)[C@@H]1c1ccc2c(c1)OCCO2 1865697856 CZOZFIDUUHVSAQ-GOSISDBHSA-N 472.398 4.079 50 10 JIGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc3c(c1)OCCO3)C(C#N)=C(N)O2 1865698107 KUHCWHQPBUSYDB-HXUWFJFHSA-N 479.334 4.187 50 10 JIGE C[C@H](CCBr)N(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)OCCCO2 1915108626 ASQIMRJHXAHPSG-MRXNPFEDSA-N 454.386 4.212 50 10 JIGE O=C(NCC1(N(Cc2ccccc2)Cc2ccccc2)COC1)N1CCC(Br)CC1 1977523218 KVTJNWFHJCMQQG-UHFFFAOYSA-N 472.427 4.027 50 10 JIGE CCc1cc(C(=O)CBr)cc(I)c1I 2060147376 FZEYLEBZNBLRCN-UHFFFAOYSA-N 478.893 4.036 50 10 JIGE C[C@H]1[C@H](Br)CCCN1C(=O)c1ccc(Br)cc1I 2086149804 SGGJPUILTDTMJZ-GZMMTYOYSA-N 486.973 4.442 50 10 JIGE C[C@@](CBr)(NC(=O)c1cc(Cl)ccc1I)C(F)(F)F 2105104699 NXKQVVQNEIOXNM-JTQLQIEISA-N 470.454 4.390 50 10 JIGE CCN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1csc(CBr)c1 2123241285 HHRNWGACNGNCNJ-UHFFFAOYSA-N 457.459 4.318 50 10 JIGE C[C@@H](CCCCCI)NC(=O)Cc1ccc(O)c(Br)c1 2174524409 SBHLWRZXAPFUHI-NSHDSACASA-N 454.146 4.197 50 10 JIGE C[C@H]1[C@@H](C)N(S(=O)(=O)c2cccc(CBr)c2)C[C@@H](C)N1Cc1ccccc1 2179817850 ZWDCRLBHIFNISQ-FGTMMUONSA-N 451.430 4.254 50 10 JIGE Cc1cc(C(=O)NC2(CCBr)CCSCC2)ccc1I 2207110022 CZMTVCOJOCKAMH-UHFFFAOYSA-N 468.198 4.380 50 10 JIGE COC(=O)[C@H](Br)C1(Oc2cc(I)ccc2Cl)CCC1 2272641265 MUJKXZCJRZPQOP-NSHDSACASA-N 459.505 4.183 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)NC[C@H]1CCC[C@H]1Br 2277930798 FNJKDJIVQOPEGC-ZWNOBZJWSA-N 454.000 4.434 50 10 JIGE O=C(NC12CCC(CBr)(CC1)C2)c1c(F)cccc1I 2282788082 XVOMSCCUUVZJAL-UHFFFAOYSA-N 452.105 4.258 50 10 JIGE O=S1(=O)CCC[C@@H]([C@@H](Br)c2sc(Cl)cc2I)C1 2300998693 UWBSVFZXZRXDCK-HZGVNTEJSA-N 469.591 4.267 50 10 JIGE O=C(N[C@H]1C[C@@H](CBr)[C@H]2C[C@H]12)c1csc(Br)c1Br 2309223308 DONXIIGREFXKJP-XQXXSGGOSA-N 458.013 4.422 50 10 JIGE Cc1ccc(S(=O)(=O)Oc2ccc(C=C(C#N)c3nn(-c4ccccc4)c(N)c3C#N)cc2O)cc1 2313543757 HEURJKBILXLYFD-UHFFFAOYSA-N 497.536 4.172 50 10 JIGE O=C(c1cc(Br)sc1Br)N(CCBr)C1CCOCC1 2353574431 YJCXRHQTJYOQNZ-UHFFFAOYSA-N 476.028 4.289 50 10 JIGE CCOc1ccc(C(=O)NNC(=O)c2cc3c(C)nn(Cc4ccc(F)cc4)c3s2)cc1 17267524 PTRJIZYAKFSDAE-UHFFFAOYSA-N 452.511 4.067 50 10 JIGE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cc(OC)ccc2OC)cc1 38659978 ILXBVBWGLIQEMY-AREMUKBSSA-N 472.497 4.079 50 10 JIGE O=C(NNc1ncnc(N(Cc2ccccc2)Cc2ccccc2)c1[N+](=O)[O-])c1ccccc1F 40607330 UHXJMGSGJNUEDR-UHFFFAOYSA-N 472.480 4.488 50 10 JIGE O=C(N/N=C1\C(=O)N(CCOc2ccccc2)c2ccccc21)c1cc(F)c(F)cc1Cl 59148519 FXWSFMFJYDKPMA-MEFGMAGPSA-N 455.848 4.178 50 10 JIGE CCCOc1cc(Br)c(/C=C(/C#N)C(=O)NCc2ccc3c(c2)OCO3)cc1OC 96438624 JCSGVHVNOITNOF-PXNMLYILSA-N 473.323 4.199 50 10 JIGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCOC)C(=O)C(C#N)=C2C)cc1 101335281 QFNWEQFVETYQTC-KOEQRZSOSA-N 494.551 4.343 50 10 JIGE CC(=NNC(=O)[C@@H](O)c1ccccc1)c1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1 254398410 CBGHTDWUHQODAZ-HNNXBMFYSA-N 479.352 4.032 50 10 JIGE C[C@H](Br)C[C@@H](C)NC(=O)c1ccc(I)c(Br)c1 721595051 SCWWCUSKJZKKIJ-JGVFFNPUSA-N 474.962 4.346 50 10 JIGE CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NNC(=O)CCCc1ccccc1 727860953 WSCAFFNLSIWYIJ-FQEVSTJZSA-N 464.393 4.308 50 10 JIGE C[C@H]1CN(C(C)(C)CNC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)C[C@@H](C)O1 843987288 COYNVHCTCRFSFT-HCBRLPMBSA-N 495.027 4.028 50 10 JIGE COc1ccccc1[C@H](C)NC(=O)[C@H](C)OC(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C 855281883 DWOJGEQLGOMYEM-BPFNHQQESA-N 451.567 4.486 50 10 JIGE O=C(CNc1ccc(I)cc1)NN=Cc1ccc(OCc2ccccc2)cc1 1084035039 LYYNVPXYVDVIKA-UHFFFAOYSA-N 485.325 4.432 50 10 JIGE Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)oc2c1C(=NNC(=O)c1ccccc1F)CCC2 1772743678 GAYAANGRVQMZJT-UHFFFAOYSA-N 492.526 4.299 50 10 JIGE O=C(COc1ccc(-c2ccccc2)cc1Br)NN=Cc1ccc2c(c1)OCO2 1772754213 FPKRVUWMHNFHKL-UHFFFAOYSA-N 453.292 4.374 50 10 JIGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@@H](c2ccc(O)cc2O)C(C#N)=C(N)O3)cc1 1865681799 XFBVDMCXTLIKFX-QHCPKHFHSA-N 484.487 4.375 50 10 JIGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2cc(Cl)ccc2O)cc1 1865689382 QZEUGRXZBLHMOI-INIZCTEOSA-N 462.815 4.477 50 10 JIGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@H](c2cccnc2)C(C#N)=C(N)O3)cc1 1865700626 ZMLWMPZBBKMFBB-JOCHJYFZSA-N 453.477 4.359 50 10 JIGE CC[C@](C)(NC(=O)CCS(=O)(=O)c1cccc(Cl)c1)C(=O)Nc1ccc(SC#N)cc1 1866887650 SSJQJKXZXBKKNA-NRFANRHFSA-N 480.011 4.001 50 10 JIGE CCOc1cc(/C=N/NC(=O)[C@@H](N)Cc2ccccc2)ccc1OCc1ccc(Cl)cc1 1873793564 QHWOPPLVWMGYLH-MGZHSMRGSA-N 451.954 4.338 50 10 JIGE CC[C@@H]1CCOC[C@H]1O[C@@]1(CI)CCCN(C(=O)OC(C)(C)C)C1 1947168669 KBBUTEJIIZEUGU-IIDMSEBBSA-N 453.361 4.023 50 10 JIGE CC(C)(C)OC(=O)N1CCN(C[C@@H](CBr)C2CC2)CCN1C(=O)OC(C)(C)C 1955956747 SHTGCTZITFGUDU-MRXNPFEDSA-N 462.429 4.112 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@@H](Br)C2(CC2)C1 2032399268 BLUFEDZSWPQGOM-LLVKDONJSA-N 484.957 4.053 50 10 JIGE Cc1sc(C)c(S(=O)(=O)NCCCCCCI)c1Br 2087633405 CPZBMIYQWNHBGY-UHFFFAOYSA-N 480.231 4.401 50 10 JIGE O=C(c1cc(Br)ccc1Br)N1CC(F)(F)C[C@H]1CBr 2102788228 FVVPSSCFAJACCN-QMMMGPOBSA-N 461.926 4.456 50 10 JIGE O=C(N[C@@H]1C[C@H](CBr)[C@H]2C[C@H]21)c1ccc(I)c(Br)c1 2110543597 NEKANHNXQATWRK-VWMGYNLJSA-N 498.984 4.203 50 10 JIGE F[C@@]12CCC[C@@]1(CCl)CN(c1ncc(I)cc1Br)C2 2133378310 NMOWPJINMGZJHH-CHWSQXEVSA-N 459.528 4.386 50 10 JIGE O=S(=O)(c1ccc(CCBr)s1)N1CCN(Cc2ccccc2)C2(CCC2)C1 2179824298 SUUPJBXFUFNDCO-UHFFFAOYSA-N 469.470 4.115 50 10 JIGE C[C@H]1[C@@H](C)N(S(=O)(=O)C2CCC(CBr)CC2)C[C@@H](C)N1Cc1ccccc1 2179829139 XOCJNXPJJDUZOU-XKOUDLJSSA-N 457.478 4.253 50 10 JIGE Clc1ccc(I)c(CN2C[C@@H]3OCCC[C@]3(CBr)C2)c1 2239161252 MDNGIPNCSWPHQZ-GJZGRUSLSA-N 470.576 4.321 50 10 JIGE CC(C)(C)OC(=O)N1[C@H]2CSC[C@H]1CC1(CCC[C@H](CI)O1)C2 2244161579 DUOAOEMCALLCGC-MGPQQGTHSA-N 453.386 4.244 50 10 JIGE O=C(NC[C@@H](Br)CBr)c1cc(F)c(Br)cc1Cl 2248032982 OUZNKILWASQCIK-YFKPBYRVSA-N 452.343 4.130 50 10 JIGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OCC)c(OC)c2)sc(C(C)=O)c1C 2314728931 PYRJCRISKOBTFK-UHFFFAOYSA-N 456.520 4.389 50 10 JIGE O=C(c1sccc1I)N1CC[C@@H](Br)C[C@H]1C(F)(F)F 2336330730 WZVFHIUTQGTFTP-SVRRBLITSA-N 468.076 4.283 50 10 JIGE FC(F)(F)c1cnc(N2C[C@H]3CC[C@H]2C[C@@H]3Br)c(I)c1 2362300792 ROMZIPGQPIKSRR-JEZHCXPESA-N 461.063 4.457 50 10 JIGE O=C(N/N=C/c1c(Nc2cccc(C(F)(F)F)c2)nc2ccccn2c1=O)c1ccccc1[N+](=O)[O-] 2950240 PHHWQKPVVPRABW-UVHMKAGCSA-N 496.405 4.129 50 10 JIGE N#C/C(=C/c1c(Oc2ccccc2Cl)nc2ccccn2c1=O)C(=O)NCCc1ccccc1 33708639 OVLOSKUAQQTRCD-MNDPQUGUSA-N 470.916 4.406 50 10 JIGE C=CCNC(=O)/C(C#N)=C\c1ccc(OC(=O)c2ccc(C(=O)C(=O)c3ccccc3)cc2)c(OC)c1 34896122 FFRLGWBVBOEURG-KQWNVCNZSA-N 494.503 4.189 50 10 JIGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OC)cc2OC)cc1 38656745 RWWBXDKHUCVDAB-XMMPIXPASA-N 458.470 4.150 50 10 JIGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OC)cc2OC)cc1 38657153 NFSBKDRIWLINIX-HHHXNRCGSA-N 486.524 4.469 50 10 JIGE N#C/C(=C\c1ccc(OC(=O)c2cccc(Br)c2)cc1)C(=O)NCc1ccco1 40926401 LJOQPQRMAQJXRM-GZTJUZNOSA-N 451.276 4.485 50 10 JIGE CCOC(=O)c1ccc(-c2ccc(/C=N\NC(=O)CC[C@H](O)c3ccc(OCC)cc3)o2)cc1 58893124 NOIXANFXLDXPMH-WCFTWNFSSA-N 464.518 4.486 50 10 JIGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)/C(C#N)=C\c1ccccc1 206397347 AJUGYIKHUILAEG-GABCUZQJSA-N 463.493 4.431 50 10 JIGE CO[C@@H]1CCC[C@H](O[C@@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)C1 687798927 DWCJIDINWVVVFL-RVKKMQEKSA-N 453.361 4.165 50 10 JIGE O=S(=O)(c1cc(CCl)sc1Br)N1C[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 705901300 PBYMLFQCBQQABA-HUUCEWRRSA-N 475.861 4.002 50 10 JIGE O=[N+]([O-])c1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2CI)cc1[N+](=O)[O-] 725388909 GDVKEBSJVLTNHL-CVEARBPZSA-N 467.263 4.154 50 10 JIGE N#CCCn1cc(/C=C(/C#N)C(=O)N2CCC[C@H](n3ccnc3)C2)c(-c2ccc(Cl)cc2)n1 728541303 GILXWILTFUKXIV-QUYTYNJFSA-N 459.941 4.084 50 10 JIGE N#CCCn1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)c(-c2ccccc2)n1 742484311 DQENLXABZHUAOT-OTZYPNAKSA-N 478.600 4.399 50 10 JIGE Cc1cc2ncn(CC(=O)NN=Cc3cc(Br)cc(Br)c3O)c2cc1C 1084593471 KTRRVJHDIJBWNX-UHFFFAOYSA-N 480.160 4.034 50 10 JIGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@H]2c1cc(OC)c(OC)c(OC)c1 1865692138 JINVJWAMTWLRQU-OAQYLSRUSA-N 476.533 4.213 50 10 JIGE COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2)cc1OC 1865712243 SZKPPXOWQYVXCY-SFHVURJKSA-N 472.423 4.135 50 10 JIGE Cc1sc2ncn(CC(=O)NNC(=O)c3ccc4ccccc4c3)c(=O)c2c1-c1ccccc1 1865852278 RBJITBUSIDGLKZ-UHFFFAOYSA-N 468.538 4.048 50 10 JIGE O=C(c1ccc(Br)cc1Br)N1C[C@@H]2CC[C@]2(CBr)C1 1903982176 CRFOEJMTBGBHQS-XPTSAGLGSA-N 451.984 4.459 50 10 JIGE CCOc1cc(C[C@H](CBr)NC(=O)OC(C)(C)C)cc(Br)c1O 1987618814 NIDULOHZECLFRH-LLVKDONJSA-N 453.171 4.384 50 10 JIGE C[C@H]1[C@@H](Br)CCCN1c1ncc(I)cc1Br 1988531026 NSODQYRYAJJMBB-CBAPKCEASA-N 459.951 4.201 50 10 JIGE O=C(Cl)c1cc(I)c(I)cc1C(F)(F)F 2060044683 OHJHILIZOHWHGX-UHFFFAOYSA-N 460.358 4.294 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1C[C@H]2CC(Br)C[C@@H]2C1 2128655284 ROEHBEBRWYDWHO-NXEZZACHSA-N 454.533 4.190 50 10 JIGE O=S1(=O)CC[C@H](CC(CBr)(CBr)c2ccc(Br)cc2)C1 2148771645 UZCXWUHZRMGCNH-LLVKDONJSA-N 489.067 4.302 50 10 JIGE Cc1cc(S(=O)(=O)N2CC[C@@H](Br)C(F)(F)CC2)sc1Br 2150023964 ZCAMHDZMVPIBDE-MRVPVSSYSA-N 453.168 4.002 50 10 JIGE O=C(c1cccc(F)c1I)N1C[C@H](Br)CC2(CCC2)C1 2151343581 YHRWLDHUNHXXLH-SNVBAGLBSA-N 452.105 4.210 50 10 JIGE CC(C)(CBr)[C@@H]1CCCN1C(=O)c1cc(I)ccc1O 2155824043 KWYDEVMFPNSPLP-ZDUSSCGKSA-N 452.130 4.023 50 10 JIGE Cc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC[C@H]2C)cc1CBr 2179789992 YIIYFXPZROWCBZ-GOSISDBHSA-N 451.430 4.175 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1CC2(CC(CBr)C2)C1 2186550691 AJZJQNMRODMDBV-UHFFFAOYSA-N 488.039 4.007 50 10 JIGE O=C(NC[C@H](Br)CBr)c1cc(Br)c(F)cc1Cl 2249338075 YMTZAXVHZBBFJS-RXMQYKEDSA-N 452.343 4.130 50 10 JIGE CC1(C)CN(C(=O)Cc2cc(Br)cc(Br)c2)C[C@H]1Br 2277934703 BHHNAMKSKTYSET-GFCCVEGCSA-N 454.000 4.386 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N1CCC[C@](F)(CBr)C1 2295309841 OISGATZRWRPARE-AWEZNQCLSA-N 471.990 4.480 50 10 JIGE CC(C)(CI)CN=[S@@]1(=O)CC[C@]2(CCCN2C(=O)OC(C)(C)C)C1 2306815974 OCPAGFZGANSXKO-MZNJEOGPSA-N 470.417 4.089 50 10 JIGE COc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2ccc(F)cc2)cc1 2314532230 HKLZGRUMMKPERO-UHFFFAOYSA-N 470.460 4.489 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OC[C@@H]2C[C@H]3[C@@H](C2)C3(F)F)C1 2320757045 JXQVRHOFHVVGDB-LOUJCGABSA-N 471.326 4.499 50 10 JIGE O=C(N[C@@H]1C[C@@H](CBr)[C@H]2C[C@H]21)c1ccc(I)c(Br)c1 2329873392 NEKANHNXQATWRK-DCJFZGGZSA-N 498.984 4.203 50 10 JIGE Cc1csc(C(=O)NCC(F)(F)C(F)(F)CI)c1Br 2336525578 WQZSKOAYIWGBHF-UHFFFAOYSA-N 474.055 4.254 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1[C@H]2CC[C@@H](Br)[C@H]1CC2 2340056471 FGRHADGNZFWJOR-UFGOTCBOSA-N 454.533 4.475 50 10 JIGE O=C(N[C@@H]1C[C@@H](CBr)[C@@H]2C[C@H]12)c1ccc(Cl)cc1I 2340063589 ABRGJKANDVPRLY-HKDSHFDBSA-N 454.533 4.094 50 10 JIGE CCn1nc(Br)c(COc2cc(Br)ccc2CBr)n1 2351855141 JFGHJQJWZDJPPP-UHFFFAOYSA-N 453.960 4.297 50 10 JIGE Cc1cc2c(c(=O)n1CCc1ccccc1)[C@@H](c1cccc(Br)c1)C(C#N)=C(N)O2 2347210 PBSCMIYFLFCCFH-NRFANRHFSA-N 462.347 4.380 50 10 JIGE Cc1ccc(S(=O)(=O)/N=C2/C(C(C)C)=CC(=O)[C@](C)(Br)[C@@H]2Br)cc1 9833211 ZEWCQOWMZMLXLQ-YMNDGTEBSA-N 477.218 4.207 50 10 JIGE CCn1nc(C(=O)NNC(=O)/C=C/c2ccc3c(c2)c2ccccc2n3CC)c2ccccc2c1=O 14887881 VKDJVVFOGMLXBL-JQIJEIRASA-N 479.540 4.019 50 10 JIGE COc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OC)cc2OC)c1 38656764 CFSHWCFDPCTEFT-DEOSSOPVSA-N 458.470 4.150 50 10 JIGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(OC)cc4)ccc32)cc1 38685799 QJVSFEUFZCMJJJ-AREMUKBSSA-N 472.497 4.296 50 10 JIGE O=C(NC[C@H]1CCCC[C@H]1CBr)c1ccc(F)cc1I 236284168 IEYHZEOLHLHKLF-WDEREUQCSA-N 454.121 4.361 50 10 JIGE C[C@H]1CC[C@H](Br)CN1C(=O)c1cc(Br)ccc1I 399428753 QJOHYCHDEDVOJR-WPRPVWTQSA-N 486.973 4.442 50 10 JIGE O=S(=O)(N[C@@H]1CCCCCN(Cc2ccccc2)C1)c1ccc(CBr)cc1 709629433 UKBSAZNEHYSFEB-HXUWFJFHSA-N 451.430 4.305 50 10 JIGE O=C(N[C@H](CCl)CC(F)(F)F)c1cc(Br)ccc1I 717744624 HUXAGENBMLZQBE-ZETCQYMHSA-N 470.454 4.343 50 10 JIGE O=C(NNC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12)c1c[nH]c2ccccc12 727725805 BUWYQTZRBPBQDW-UHFFFAOYSA-N 455.449 4.462 50 10 JIGE CCC(=O)O[C@@]1(C)[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(=O)CCl 1073362411 FKWXHUWJFNMNSE-YITHLDSCSA-N 466.977 4.103 50 10 JIGE C=CCOc1cc(Br)c(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1OC 1084281715 CWEDRDNNSGFNIK-HXUWFJFHSA-N 491.382 4.385 50 10 JIGE O=C(CSC1=N[C@@H](c2ccccc2)[C@@H](c2ccccc2)N=N1)NN=C1C(=O)Nc2ccccc21 1088679641 CQBVTCNJSXVPKY-FCHUYYIVSA-N 468.542 4.497 50 10 JIGE COc1ccc([C@H]2[C@@H](C(=O)N3CC=C(C#N)CC3)CCC(=O)N2c2ccc(C)cc2)cc1OC 1466140862 GZMMFNKSTYGQKC-NVQXNPDNSA-N 459.546 4.179 50 10 JIGE CC(=O)N1C[C@H](c2cc(Br)ccc2Br)[C@@H](CI)C1 1614632794 FJDGGZBQVAZWRO-CABZTGNLSA-N 486.973 4.209 50 10 JIGE CN1CCN(c2ccc(NC(=O)[C@@H](Br)Cc3ccccc3Br)cc2)CC1 1858180979 BHTHJZQBWYMLLO-IBGZPJMESA-N 481.232 4.146 50 10 JIGE O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)N/N=C/c1ccccc1Br 1860772795 GSSVCSMCBJQLJA-YSURURNPSA-N 467.348 4.038 50 10 JIGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc(Cl)c2)cc1O 1865682305 LQHWXRKVAWEASD-MRXNPFEDSA-N 462.815 4.477 50 10 JIGE Cc1ccc(-c2csc3ncn(CC(=O)NNC(=O)CCCSc4ccccc4)c(=O)c23)cc1 1865845181 MVUWYTYTSDRHII-UHFFFAOYSA-N 492.626 4.153 50 10 JIGE CN(C[C@H]1C[C@@H](Br)C1)C(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21 1881362236 CMSMVJUEBKJVRZ-IYBDPMFKSA-N 457.368 4.157 50 10 JIGE O=S1(=O)CC[C@@H]([C@@H](Br)c2sc(Br)cc2Br)C1 1922929594 KMUCBFNDEZAZFB-SVGQVSJJSA-N 453.015 4.144 50 10 JIGE O=C(CBr)c1cc(I)cc(OC(F)F)c1OC(F)(F)F 2060372902 QXBUHCKNBSCNEE-UHFFFAOYSA-N 474.945 4.369 50 10 JIGE CCc1ccc(-n2nc(CBr)c(I)c2C(F)(F)F)cn1 2078933539 ZKIQCIYJTXNTFC-UHFFFAOYSA-N 460.035 4.348 50 10 JIGE CCOC(=O)[C@H](Br)Cc1ccc(C(F)(F)F)cc1I 2139266676 MBIVHRORMHCEKM-SECBINFHSA-N 451.020 4.179 50 10 JIGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1C[C@H]2C[C@@]2(CBr)C1 2146319615 GTOYAALDYXBHSS-JMCQJSRRSA-N 464.006 4.161 50 10 JIGE C[C@@H]1CN(S(=O)(=O)c2ccc(F)c(CBr)c2)[C@H](C)CN1Cc1ccccc1 2179785384 LJNUNCINADHGHV-HZPDHXFCSA-N 455.393 4.004 50 10 JIGE C[C@@H]1C[C@H](N(C)S(=O)(=O)c2cc(CBr)ccc2F)CN1Cc1ccccc1 2179790749 ILQRQNVKCFHCLJ-QAPCUYQASA-N 455.393 4.004 50 10 JIGE O=S(=O)(c1ccc(Br)c(CCl)c1)N1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 2187750769 POPTUBDINKCOPI-WMZOPIPTSA-N 469.832 4.083 50 10 JIGE COC[C@](C)(CBr)N(C)C(=O)Cc1cc(Br)cc(Br)c1 2295318125 WDDJHACUNXAFOR-AWEZNQCLSA-N 472.015 4.013 50 10 JIGE C[C@H]1CCC[C@H](COC2(CI)CCN(C(=O)OC(C)(C)C)CC2)O1 2301041011 FAGYRWUSUFKSBR-LSDHHAIUSA-N 453.361 4.165 50 10 JIGE CC(C)(CI)CN1CCCC[C@H]1[C@H]1CCCN(C(=O)C(F)(F)F)C1 2326677097 RXECBWVKCSTPGM-KBPBESRZSA-N 460.322 4.103 50 10 JIGE CCCOc1ccc(C(=O)NNC(=O)C=Cc2ccc(OCc3ccccc3)cc2)cc1[N+](=O)[O-] 2328845238 PNYVNWOJWQZXKZ-UHFFFAOYSA-N 475.501 4.437 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CN(Cc2ccccc2)C2(CCC2)C1 2350353282 JOXSUQFADJMEJE-DEOSSOPVSA-N 495.711 4.134 50 10 JIGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H](CBr)CC1CCCC1 2364214158 LOROHDCZTFERNJ-GOSISDBHSA-N 499.471 4.106 50 10 JIGE CC(=O)Nc1ccc(C(=O)NNC(=O)c2cc(Br)ccc2OCCc2ccccc2)cc1 14665527 LAQDOICVIYGEIU-UHFFFAOYSA-N 496.361 4.104 50 10 JIGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(Sc2ccccc2)c1[N+](=O)[O-] 40650123 PISNLKYIYBMAJQ-UHFFFAOYSA-N 466.306 4.365 50 10 JIGE COc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2)cc1OC 40926615 DSNDONDKDCITGX-PBSFTAHRSA-N 458.470 4.139 50 10 JIGE CC(C)C(=O)NNC(=O)[C@@H](C)Sc1n[nH]c(N/N=C/c2ccc3ccc4cccc5ccc2c3c45)n1 59879730 YBRDNQNSBJSSRE-QJXMJWHHSA-N 499.600 4.432 50 10 JIGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\Nc3ccc(OC)c(Cl)c3)C2=O)cc1 101233967 PGDIGPSFZBHXMZ-XSFVSMFZSA-N 451.910 4.105 50 10 JIGE CCOc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccccc3OC)nc3ccccn3c2=O)cc1 102683690 DJERWBVAMFIEGY-VLGSPTGOSA-N 482.496 4.440 50 10 JIGE Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)NCc2ccccc2)c1C 102683964 AMQRISRSUSSOQF-QNGOZBTKSA-N 450.498 4.327 50 10 JIGE Cc1ccccc1CCN/C=C(/C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216509740 DNOOIEZRMZNNRZ-NFFVHWSESA-N 464.613 4.468 50 10 JIGE CC1(C)CN(C(=O)c2cc(Br)cc(Br)c2)C[C@H](CBr)O1 232792184 OOXVUJANASFBOD-LBPRGKRZSA-N 469.999 4.226 50 10 JIGE COc1cc(C=NNC(=O)COc2c(C)ccc(C)c2C)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 254833864 ZRAVHMBQBKSPMX-UHFFFAOYSA-N 491.500 4.277 50 10 JIGE O=S(=O)(N[C@H]1CCCCCN(Cc2ccccc2)C1)c1ccc(CBr)cc1 709629432 UKBSAZNEHYSFEB-FQEVSTJZSA-N 451.430 4.305 50 10 JIGE O=C(NNc1ccc(F)c(F)c1F)c1cc(I)cc(C(F)(F)F)c1 728715790 BVZPNZAZSWIFFY-UHFFFAOYSA-N 460.115 4.484 50 10 JIGE N#CCCn1cc(/C=C(/C#N)C(=O)N2CC[C@@H](N3CCCCC3)C2)c(-c2ccc(Cl)cc2)n1 730795159 HOYMKNYOWHCFRH-HVQRGMKJSA-N 462.985 4.111 50 10 JIGE COc1ccc(OC)c(C=NNC(=O)c2ccc(CSc3ncccn3)cc2)c1Br 1084070722 LLEHVGXGPQJMDI-UHFFFAOYSA-N 487.379 4.313 50 10 JIGE Cc1nc2ccccn2c1C(=O)NN=Cc1cc(Br)ccc1OC(=O)/C=C/c1ccco1 1084157508 FKDZSTHYXWESNV-UYENCTJWSA-N 493.317 4.381 50 10 JIGE COc1ccc(CCNC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc(C)c2)CCC3)cc1OC 1772744972 PCAVZZJIYQUSQQ-UHFFFAOYSA-N 489.572 4.357 50 10 JIGE Cc1cc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCC3)no1 1772748601 RNCSDGCLDYXGOL-UHFFFAOYSA-N 471.857 4.169 50 10 JIGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3C)cc(Br)c1O 1865688400 RCZTYVKOXVKNMA-GOSISDBHSA-N 497.349 4.181 50 10 JIGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@@H]1C[C@H]1Br 1877387299 BIGQXEYBSUFZDK-ITEAAPOESA-N 471.395 4.449 50 10 JIGE CC1(C)CN(S(=O)(=O)c2ccsc2CBr)CCCN1Cc1ccccc1 1879330255 FPZFKJCMGSIAHX-UHFFFAOYSA-N 457.459 4.318 50 10 JIGE O=C(c1cc(Br)ccc1Br)N1C[C@H]2CC[C@@]2(CBr)C1 1903985265 WDXKURUZCHLDCG-YMTOWFKASA-N 451.984 4.459 50 10 JIGE CC(C)[C@H]1[C@H](Br)CCN1c1ncc(I)cc1Br 2015766070 IWFJHOBRBZLJQB-KOLCDFICSA-N 473.978 4.447 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@H](Br)[C@H](C2CC2)C1 2090683310 AOJSTGRXPSQDOW-JQWIXIFHSA-N 498.984 4.299 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2CC[C@]2(C)CBr)cc1Br 2097248258 XGIFXOLVGQDZLF-GFCCVEGCSA-N 476.028 4.068 50 10 JIGE CC[C@@H](CBr)CNS(=O)(=O)c1cc(Br)c(C)cc1Br 2098058323 YPPNPHPTUPNDHP-VIFPVBQESA-N 478.044 4.219 50 10 JIGE O=C(N[C@@H]1C[C@H](CBr)[C@H]2C[C@H]21)c1cc(Br)ccc1Br 2110549098 LOKCHAMTCPROQZ-QYVSTXNMSA-N 451.984 4.361 50 10 JIGE BrC[C@@H]1CO[C@H]2CN(Cc3ccc(Br)cc3Br)C[C@H]12 2121594507 UEJPHCBIVJPGTC-QKCSRTOESA-N 454.000 4.053 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@H]2C[C@H](Br)C[C@H]2C1 2128632266 PIZOQGRGOWPHSA-JZYVYDRUSA-N 498.984 4.299 50 10 JIGE O=C(N[C@@H](CBr)c1cccs1)c1c(F)cccc1I 2267669638 ONOUCXQEQWOXTI-JTQLQIEISA-N 454.102 4.358 50 10 JIGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(OC)cc2)cc1 2297450790 GGUVQVXSRGOUOX-UHFFFAOYSA-N 470.573 4.463 50 10 JIGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OC 2313518794 TUGJIVGLZKSNPY-UHFFFAOYSA-N 493.257 4.152 50 10 JIGE CCOc1cc(C=C(C#N)C(=O)N(C)C)ccc1OCc1ccc(I)cc1 2313567027 BHKRSONLPVRNCD-UHFFFAOYSA-N 476.314 4.264 50 10 JIGE C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)NN=Cc4ccc(Br)cc4F)c(=O)c23)C1 2318792719 QQCCSIOIAKCWHX-RYUDHWBXSA-N 491.386 4.196 50 10 JIGE COc1ccccc1C1(CNC(=O)C(C#N)=Cc2ccc(Br)cc2)CCOCC1 2329659800 FRJJIOFZDSVDKY-UHFFFAOYSA-N 455.352 4.229 50 10 JIGE CCOC(=O)c1cnn(-c2cccc(Cl)c2)c1NC(=O)C(C#N)=Cc1ccc(OCCOC)cc1 2331123897 LPPYXYWKVONKOU-UHFFFAOYSA-N 494.935 4.273 50 10 JIGE Cc1ccc(-c2csc(C(C#N)=C(O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)cc1C 2331385342 VCBDTLPPIJAGTF-UHFFFAOYSA-N 460.471 4.424 50 10 JIGE Cn1cnc(Br)c1[C@H](Cl)c1cc(I)cc2c1OCC2 2337285935 TWPQRSCYTWIOTP-SNVBAGLBSA-N 453.505 4.050 50 10 JIGE CCCN1CC[C@@H]([C@H](Br)c2ccc(Cl)cc2I)S1(=O)=O 2365558920 NVJWARFFZSFVPB-QWHCGFSZSA-N 492.604 4.195 50 10 JIGE Cc1cc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccccc2[N+](=O)[O-])c(C)n1-c1ccc(F)cc1 22038229 AHLFXBGKCXCOGQ-LDADJPATSA-N 462.437 4.230 50 10 JIGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)ccc1OCc1ccc2c(c1)OCO2 58890338 GLVMNUVRRNZDFG-AUSPTEDFSA-N 476.529 4.357 50 10 JIGE N#C/C(=C/c1csc(-c2ccco2)n1)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 109086182 PZCKEMRODMSPSJ-VBKFSLOCSA-N 468.560 4.123 50 10 JIGE COCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C/c2ccc(OCCC(C)C)c(OC)c2)cc1 207154303 ARZJRSIVXDTEHN-SREMRHQCSA-N 492.572 4.408 50 10 JIGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccccc3OC)cc2)cc1 254367890 VKMLJLDXVQBQHE-UHFFFAOYSA-N 462.502 4.232 50 10 JIGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc(OC)c(OC)c3)cc2)cc1 254378458 GVIHGOCYNMHYHM-UHFFFAOYSA-N 462.502 4.476 50 10 JIGE C[C@H](Sc1nc2ccccc2[nH]1)C(=O)NN=Cc1cc(Cl)cc(Br)c1O 254760337 WXAULPRWJVGLGM-VIFPVBQESA-N 453.749 4.315 50 10 JIGE FC(F)(F)Oc1cnc(I)c(Br)c1CBr 396179739 LKTKUWCWMRAJHV-UHFFFAOYSA-N 460.813 4.242 50 10 JIGE CC(CCc1ccccc1)=NNC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(C)cc1 725401273 PCBNTZHMEOHVTL-UHFFFAOYSA-N 477.630 4.353 50 10 JIGE O=C(NN[C@@H](C(=O)N1CCCCC1)c1ccccc1)c1ccccc1OCc1ccc(F)cc1 750209498 FGNIKUZRZWPUTJ-RUZDIDTESA-N 461.537 4.393 50 10 JIGE Cc1ccc(Cl)cc1NC(=O)C(=O)NN=Cc1ccc(OCC(=O)Nc2ccccc2Cl)cc1 1083891132 GRROHIMDTRVXJI-UHFFFAOYSA-N 499.354 4.408 50 10 JIGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(C)n(-c3ccc(NC(C)=O)cc3)c2C)cc1 1084032881 SVESONXTEJNUES-AREMUKBSSA-N 476.577 4.415 50 10 JIGE C#Cc1cccc(NC(=S)NNC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3F)c2C)c1 1303280068 AYOVEBNBZYSKPR-ZHZULCJRSA-N 457.534 4.139 50 10 JIGE C=CCOc1cccc(NC(=O)NNC(=O)[C@H]2Cc3ccccc3CN2Cc2ccccc2)c1 1673779501 KAFJWDQDJHDJPL-RUZDIDTESA-N 456.546 4.031 50 10 JIGE Cc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)NCc3ccc4c(c3)OCO4)c(C)c21 1772744014 PIXIWIIGMUIVFJ-UHFFFAOYSA-N 459.502 4.026 50 10 JIGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)cc1OC 1865706934 JEZSWBYAVHUYRD-GOSISDBHSA-N 474.414 4.325 50 10 JIGE CCOC(=O)c1ccc(I)c(OC(F)(F)F)c1CBr 2055274902 DHRZCKIHQMJDME-UHFFFAOYSA-N 452.992 4.261 50 10 JIGE CCc1c(I)cc(C(=O)CBr)cc1I 2060148000 UZGUEJSWAACZMP-UHFFFAOYSA-N 478.893 4.036 50 10 JIGE CCCN1CC[C@H]([C@@H](Cl)c2ccc(I)c(Br)c2)S1(=O)=O 2145782736 XGTTVEMGUQAZHB-OLZOCXBDSA-N 492.604 4.148 50 10 JIGE CCC[C@H](Br)c1cn(-c2ccc(I)cc2[N+](=O)[O-])nn1 2177554496 UNGBVNFOZMOHSC-VIFPVBQESA-N 451.062 4.016 50 10 JIGE CCN(CC)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C)c(CBr)c1 2179786276 YGQOMPJOFALXOH-UHFFFAOYSA-N 453.446 4.423 50 10 JIGE COc1cc(Br)c(CNCCSSCCNC(=O)OC(C)(C)C)cc1OC 2181746831 KMCWKWIOAHAGQS-UHFFFAOYSA-N 481.478 4.462 50 10 JIGE O=C(N[C@@H](CBr)C(F)(F)F)c1ccc(Cl)c(I)c1 2256389784 MMUUNQXCCVZWQG-QMMMGPOBSA-N 456.427 4.000 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)NC[C@H]1CC[C@H](Br)C1 2277931650 HUQNCSFQQWXRGM-ONGXEEELSA-N 454.000 4.434 50 10 JIGE O=C(c1c(F)cccc1I)N1CC[C@@H]2C[C@@H](Br)CC[C@@H]21 2282791687 IRSLCYWWOXSCAK-NRUUGDAUSA-N 452.105 4.208 50 10 JIGE O=C(CCN1C(=O)C(=Cc2ccccc2Cl)SC1=S)NNC(=O)c1cccc(Cl)c1 2295924243 HFOTUEPRXNJPSI-UHFFFAOYSA-N 480.398 4.046 50 10 JIGE C#CCOc1c(Br)cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1CC=C 2313567759 OEJBVSPJDWCNAS-UHFFFAOYSA-N 490.401 4.445 50 10 JIGE CCOc1cc(C=C(C#N)C(=O)N(C)C)cc(I)c1OCc1cccc(F)c1 2313568032 NYFFJDYXAPCRAQ-UHFFFAOYSA-N 494.304 4.403 50 10 JIGE Cc1cc(I)ccc1NC(=O)C(C#N)=CNCCc1c[nH]c2ccccc12 2325409354 CITFPMDWARLYEK-UHFFFAOYSA-N 470.314 4.259 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CCC2CC1(CBr)C2 2336543951 PKGWODKXBAEBEK-UHFFFAOYSA-N 498.984 4.443 50 10 JIGE CC(C)(CBr)c1cn(Cc2ccc(Cl)cc2I)nn1 2341029727 JDRHPAKSZDGKKL-UHFFFAOYSA-N 454.537 4.257 50 10 JIGE CC1(C)C[C@H](Br)C[C@@H](NS(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2364209024 ODAJGSGCELDLBK-IAGOWNOFSA-N 499.471 4.105 50 10 JIGE CCCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)C(C)C)cc1 14033093 ZKRWQQNFAZRQIQ-UHFFFAOYSA-N 484.622 4.190 50 10 JIGE CC(C)CCOc1ccccc1C(=O)NNC(=O)COc1ccc(Cl)cc1Br 14033758 CFFZYJSRGUEQJI-UHFFFAOYSA-N 469.763 4.367 50 10 JIGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)Cc2ccc(Cl)cc2)cc1Br 14041458 PNARMXTXBRPQCG-UHFFFAOYSA-N 498.830 4.160 50 10 JIGE COc1ccc(CC(=O)NNC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)cc1 14669681 IJCNEAWNFNKBOU-UHFFFAOYSA-N 483.362 4.083 50 10 JIGE O=C(NNc1ncnc(Nc2cccc([N+](=O)[O-])c2)c1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 40648862 BEAKIDNVBXTFEW-UHFFFAOYSA-N 485.460 4.312 50 10 JIGE Nc1c(NNC(=O)c2ccc(Br)cc2)ncnc1Nc1ccccc1Br 40781419 ZAEWYRMYTMEFGD-UHFFFAOYSA-N 478.148 4.084 50 10 JIGE COc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4cc(OC)ccc4OC)c(C)c32)c1 40822158 RARQDOKTBQOOHT-TURZUDJPSA-N 477.517 4.337 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N[C@H](C)[C@@H](C)CBr)cc1Br 167734121 PNQYYZIKMIILPE-DTWKUNHWSA-N 478.044 4.218 50 10 JIGE CC(=NNC(=O)CCN1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccc(O)cc1 254507436 QWYFDZJUSQRFCM-UHFFFAOYSA-N 456.590 4.030 50 10 JIGE CCN(CC)c1ccc(C=NNC(=O)C(=O)Nc2ccccc2C(=O)Nc2ccc(C)cc2)cc1 254622311 ADDFNVJYKHAJGO-UHFFFAOYSA-N 471.561 4.182 50 10 JIGE CCn1c(Sc2ccc(C=NNC(=O)c3ccco3)cc2[N+](=O)[O-])nnc1-c1ccccc1 254734098 RHSMAUWLRISEJM-UHFFFAOYSA-N 462.491 4.381 50 10 JIGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccccc3OC)cc2OC)cc1 254742132 XIBGWYAWWHEQNX-UHFFFAOYSA-N 492.528 4.241 50 10 JIGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2ccc(F)cc2O)C1 382721276 NOOPBZFFLUQPSG-RHSMWYFYSA-N 455.267 4.319 50 10 JIGE N#CCCn1cc(/C=C(/C#N)C(=O)OCC(=O)Nc2ccc(N3CCCC3)cc2)c(-c2ccccc2)n1 729344244 DDYHCZXEWIGESP-XLNRJJMWSA-N 494.555 4.153 50 10 JIGE N#CCCn1cc(/C=C(\C#N)C(=O)OCC(=O)c2ccc(C#N)cc2)c(-c2ccc(Cl)cc2)n1 749478363 DWSCQCGUPCUXEA-UDWIEESQSA-N 469.888 4.322 50 10 JIGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)Nc2cccc(C(C)C)c2)cc1 920848622 FYAQZCARNFPULQ-MOSHPQCFSA-N 457.534 4.103 50 10 JIGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NN=C1C(=O)N(C)c2ccc(Br)cc21 1084216813 MZGYIDDZLKBSBS-SECBINFHSA-N 471.138 4.020 50 10 JIGE Cc1ccc(S(=O)(=O)Oc2ccccc2C=NNC(=O)COc2c(C)cc(C)cc2C)cc1 1084505939 MDZJMWLITYPXII-UHFFFAOYSA-N 466.559 4.217 50 10 JIGE COc1cccc(OC)c1[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1CI 1614625197 XEQCFIYRIOBODO-IAGOWNOFSA-N 481.330 4.491 50 10 JIGE Cc1c(C(=O)N(CC#N)CC#N)oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772746886 IKCHVXIEPMWFGX-UHFFFAOYSA-N 465.513 4.215 50 10 JIGE CCc1cccc(CC)c1N1C[C@H](C(=O)NNC(=O)CCCSc2ccc(C)cc2)CC1=O 1865755914 WTQFVJKXWYIJRW-OAQYLSRUSA-N 467.635 4.193 50 10 JIGE Cc1ccc(C)c(-c2csc(/C(C#N)=C(\O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)c1 1872749637 AQJWFIBMWIVKQY-MNDPQUGUSA-N 460.471 4.424 50 10 JIGE BrC[C@H]1C[C@H]2CC[C@H]1N2c1ncc(I)cc1Br 2015767412 ROEWQPZXAWKFKB-BCMRRPTOSA-N 471.962 4.201 50 10 JIGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2[N+](=O)[O-])cc(I)c1OC 2053623201 LIWUKAXEOUWQAU-UHFFFAOYSA-N 493.257 4.152 50 10 JIGE CCOC(=O)c1cc(OC(F)(F)F)cc(I)c1CBr 2055272673 NKDXKRPWLHDGEN-UHFFFAOYSA-N 452.992 4.261 50 10 JIGE CCOC(=O)Cc1cc(CBr)c(OC(F)(F)F)cc1I 2055277985 PMUJYCYEWUSHCQ-UHFFFAOYSA-N 467.019 4.190 50 10 JIGE C=CCc1cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(OCC)c1OCC(=O)OC 2313556952 PDAWYUQHWXCSEI-UHFFFAOYSA-N 487.556 4.113 50 10 JIGE CCCCCCOc1ccc(C=C2C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)cc1OC 2314617889 CNGRMOHECIIPFU-HXUWFJFHSA-N 452.551 4.426 50 10 JIGE COc1cc(C=C2C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 2314617933 DGXBXDNFLJXXMP-OAQYLSRUSA-N 476.504 4.185 50 10 JIGE O=C(Cn1c(O)nc2ccccc2c1=O)NN=Cc1cccc(OCc2ccc(Cl)cc2Cl)c1 2328793447 AQKTVONKAMOAFF-UHFFFAOYSA-N 497.338 4.138 50 10 JIGE CCOc1ccc(CO[C@](C)(CI)CN(CC)C(=O)OC(C)(C)C)cn1 2337972254 OXPYQFALEWLDDG-LJQANCHMSA-N 478.371 4.448 50 10 JIGE C[C@]1(NC(=O)c2sccc2I)C[C@H]2CC[C@H]1C[C@@H]2Br 2352774741 DBTIHCZEYCERAU-YCWTYVPXSA-N 454.171 4.425 50 10 JIGE ClC[C@@H]1C[C@@H]2OCCN(Cc3ccc(I)c(Br)c3)[C@H]2C1 2377357338 MWZLFGHRVMUAQE-CQDKDKBSSA-N 470.576 4.272 50 10 JIGE COc1cc(C(=O)NN=C(C)c2ccc(NC(=O)c3cccs3)cc2)cc(OC)c1OC 1200517 JZEMTNDHLKIWOR-UHFFFAOYSA-N 453.520 4.180 50 10 JIGE Cc1cc(Br)cc(C)c1O[C@H](C)C(=O)NNC(=O)CCC(=O)Nc1ccccc1Cl 14643206 KUSGQGPJCODZFF-CQSZACIVSA-N 496.789 4.053 50 10 JIGE CCOc1ccc(NC(=O)/C(C#N)=C\c2c(N3CCC(C)CC3)nc3c(C)cccn3c2=O)cc1 33390139 NEKQPXHFUIGBPJ-SILNSSARSA-N 471.561 4.184 50 10 JIGE Cc1c(C(=O)NC2CC(C)(C)NC(C)(C)C2)oc2c1/C(=N/NC(=O)c1ccccc1)CCC2 40804333 GSOJZYKECYZOKP-TURZUDJPSA-N 450.583 4.097 50 10 JIGE COc1ccc(CCC(=O)N/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c(O)c1 59165452 IDDHFQKGXDQRFT-ZVHZXABRSA-N 480.433 4.092 50 10 JIGE CC1(C)C[C@H](N=C=O)C[C@@](C)(CNC(=O)Nc2n[nH]c3c2CCN(Cc2ccccc2)C3)C1 170290922 XNVUFQSXAZBGHI-UQBPGWFLSA-N 450.587 4.010 50 10 JIGE COc1ccc(/C=C(/C#N)C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccccc3)cc2OC)cc1 206397316 OEBDFCDSPKFKJC-WYABZLQBSA-N 493.519 4.440 50 10 JIGE FC(F)c1cc(CBr)c(I)c(I)n1 238635486 PDJMRQAKFPHNKV-UHFFFAOYSA-N 473.824 4.123 50 10 JIGE CCCCN(CCCC)CN1C(=O)C(=NNC(=O)CON=C(C)c2ccccc2)c2ccccc21 263632023 HTEKGYJWOQSYSQ-UHFFFAOYSA-N 477.609 4.154 50 10 JIGE CCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3C)cc1OC 1865691605 WDXVXSXCUQQYLC-ZDUSSCGKSA-N 487.276 4.217 50 10 JIGE COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc(Cl)c2)cc1OC 1865710827 JJQGAYSSYZRMAZ-OAQYLSRUSA-N 452.898 4.078 50 10 JIGE COc1ccc(OC)c(/C=C/C(=O)NNC(=O)c2ccc(-c3ccc(Cl)cc3)nc2C)c1 1865755671 LBADLCUPUAXTPH-AWNIVKPZSA-N 451.910 4.202 50 10 JIGE CC[C@@H](C)[C@@H](C(=O)Nc1sc(/C(C)=C/C#N)c(C)c1C(=O)OC)N1C(=O)c2ccccc2C1=O 1873428012 ICDMIJKWHYCSOI-FAZPHFQISA-N 479.558 4.419 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCNC[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1903216681 ALTKAMTURQSQQA-INIZCTEOSA-N 461.694 4.272 50 10 JIGE COc1cccc(C[C@@H](Br)CN2C(=O)c3ccccc3C2=O)c1Br 1906804033 WTQGFJBSFPGMGJ-GFCCVEGCSA-N 453.130 4.060 50 10 JIGE CN(C(=O)c1cc(Br)ccc1I)C1(CBr)CCC1 1915003266 PPBRMXRVIQCXGM-UHFFFAOYSA-N 486.973 4.443 50 10 JIGE C[P@@]1(=O)C[C@H](NC(=O)c2cc(Br)sc2Br)[C@@H](Br)C1 2057665096 FYSFLKSSMYGUPR-OLIMHSOTSA-N 479.956 4.142 50 10 JIGE O=C(NCC1(F)CC(CBr)C1)c1cc(Cl)ccc1I 2112252572 FKIAVJBBKQSXNW-UHFFFAOYSA-N 460.512 4.188 50 10 JIGE O=S1(=O)CC[C@H](C(CBr)(CBr)Cc2cscc2Cl)C1 2120344160 LOMQPVFXVDVTAQ-JTQLQIEISA-N 450.645 4.155 50 10 JIGE Cc1c(CBr)cc(Cl)cc1S(=O)(=O)N(CCN(C)C)Cc1ccccc1 2123269975 UYOHPMQXTBEVBD-UHFFFAOYSA-N 459.837 4.296 50 10 JIGE CC1CCC(CBr)(NC(=O)Cc2ccccc2I)CC1 2143867684 FZNJWBGCTPQFAC-UHFFFAOYSA-N 450.158 4.294 50 10 JIGE CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)[C@@H](Br)C2CCCC2)C(F)(F)CC1 2167032230 MBVORVFJJISERC-CABCVRRESA-N 453.368 4.339 50 10 JIGE CCN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1cccc(CBr)c1 2179811269 KBDYDHZWNDMSBM-UHFFFAOYSA-N 451.430 4.257 50 10 JIGE C[C@@H]1Cc2cc(Br)cc([C@H](Br)c3nn(C)nc3Br)c2O1 2235266739 WLEWDRBEDRYANO-LDWIPMOCSA-N 465.971 4.148 50 10 JIGE CC(C)(C)OC(=O)N[C@H](C[S@](C)(=O)=NCCCCI)C(C)(C)C 2243585687 FICMUMJBWUAQEH-ZLOXQWCVSA-N 460.422 4.239 50 10 JIGE CCCN(C[C@H](C)Br)c1ncc(I)cc1Br 2244855362 XJKUZZQSTVINKW-QMMMGPOBSA-N 461.967 4.449 50 10 JIGE C[C@@H]1CN(C(=O)C(C#N)=C2N=C(NC(=O)c3ccc(C(C)(C)C)cc3)c3ccccc32)C[C@@H](C)O1 2296532720 OQLTXKHFUZXREN-QZTJIDSGSA-N 470.573 4.045 50 10 JIGE O=C(N[C@@H](CBr)CC(F)F)c1ccc(Cl)cc1I 2317768092 DUANAVPZMQXXRY-SSDOTTSWSA-N 452.464 4.093 50 10 JIGE COc1ncc(Br)c(C)c1CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1Br 2319603512 QUQSLMYBFADJBI-KBPBESRZSA-N 480.197 4.061 50 10 JIGE Cc1cccc(CNC=C(C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 2324609870 YGEVTLGLJDRVAC-UHFFFAOYSA-N 450.586 4.426 50 10 JIGE O=C(N[C@H]1C[C@@H]2C[C@H]1C[C@@H]2Br)c1ccc(Cl)cc1I 2340052829 SYPXSRZWBCJRGP-BSCUDYGSSA-N 454.533 4.236 50 10 JIGE Clc1ccc(CN2C[C@@H]3CC[C@H](CBr)O[C@@H]3C2)cc1I 2362378219 GUFFHMNMYNZBCH-YWPYICTPSA-N 470.576 4.319 50 10 JIGE CCO[C@@H](CCl)/[S@](=N\S(=O)(=O)c1ccccc1)c1ccccc1I 4577369 ZXJBTHAZKWUVHT-MWTRTKDXSA-N 497.807 4.442 50 10 JIGE O=C(COc1ccc2ccccc2c1Br)NNC(=O)c1ccccc1Br 12576075 ONGJUSCJMGKCEJ-UHFFFAOYSA-N 478.140 4.205 50 10 JIGE CC(C)CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)CCc1ccccc1 14651214 NFGZKKYTJVZTQS-UHFFFAOYSA-N 492.439 4.142 50 10 JIGE COc1ccc(C(=O)NNc2ncnc(N(Cc3ccccc3)Cc3ccccc3)c2N)cc1 40709610 JNQKBMBZANYQIJ-UHFFFAOYSA-N 454.534 4.031 50 10 JIGE COC(=O)c1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(F)cc2)CCC3)cc1 40811949 QASJVYSKSHBKMT-TURZUDJPSA-N 463.465 4.236 50 10 JIGE COc1ccc(/C=N/NC(=O)COc2ccc(Br)cc2C(C)C)cc1[N+](=O)[O-] 40950907 XITCAGOVLHBVMD-UFFVCSGVSA-N 450.289 4.018 50 10 JIGE O=C(CSc1nnc(CNc2ccc(Cl)cc2)n1-c1ccccc1)NNC(=O)c1ccccc1 59811667 ARXHVSCSOZPNSS-UHFFFAOYSA-N 492.992 4.086 50 10 JIGE CCOc1ccccc1OCC(=O)Oc1ccc(/C=C(/C#N)C(=O)NCc2ccco2)cc1OCC 206732122 VMRYPTURVBYPJE-ZHZULCJRSA-N 490.512 4.285 50 10 JIGE O=C1NCCCc2ccc([C@@H](Br)c3ccccc3I)cc21 228229563 ROKFNVHOGYKWHP-MRXNPFEDSA-N 456.121 4.452 50 10 JIGE O=C(NN=Cc1ccc(OCc2ccccc2)cc1)C(=O)Nc1cccc(Br)c1 252637603 XUGWGPDWFRJJBK-UHFFFAOYSA-N 452.308 4.117 50 10 JIGE CCOc1cccc(C=NNC(=O)CSc2nnc(SCc3ccccc3)s2)c1O 254557112 HBKGBEACRSRQRP-UHFFFAOYSA-N 460.606 4.177 50 10 JIGE C[C@@H](Br)[C@@H]1CCN(C(=O)c2cc(I)ccc2Br)C1 719919898 TZHAUGFMEZHBKV-RKDXNWHRSA-N 486.973 4.299 50 10 JIGE N#CCCn1cc(/C=C(/C#N)C(=O)Nc2ccc(CN3C(=O)CSC3=O)cc2)c(-c2ccccc2)n1 725713428 HCOSGWFXSKQSLA-MOSHPQCFSA-N 496.552 4.205 50 10 JIGE N#CCCn1cc(/C=C(\C#N)C(=O)N2CC[C@@H](N3CCCCC3)C2)c(-c2ccc(Cl)cc2)n1 730795160 HOYMKNYOWHCFRH-QFXGEWDLSA-N 462.985 4.111 50 10 JIGE COc1cc(C=NNC(=O)c2nc3ccccc3s2)ccc1OCc1ccc(C(=O)O)cc1 1084044376 JTFJMEWFXXSNDL-UHFFFAOYSA-N 461.499 4.346 50 10 JIGE Cc1cc(C=NNC(=O)[C@H]2COc3ccccc3O2)c(C)n1-c1ccc(Br)cc1 1084379179 BPALPMKTAFVEOU-OAQYLSRUSA-N 454.324 4.147 50 10 JIGE CC(=O)N[C@H](C(=O)N1CC[C@H](O[Si](C)(C)C(C)(C)C)C1)c1cccc(Br)c1 1301523665 FZFMPXWTSWYCTC-ROUUACIJSA-N 455.469 4.249 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)cc2)[C@@H]1c1ccc(O)c(O)c1 1865680384 JHLFVJWJUJHPMH-MRXNPFEDSA-N 462.815 4.233 50 10 JIGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccn2)ccc1O 1865681492 OVXLSHXKVTULID-JOCHJYFZSA-N 451.486 4.257 50 10 JIGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1cccc(OC)c1O)C(C#N)=C(N)O2 1865684606 TUWYHHFGLXUQFQ-GOSISDBHSA-N 467.323 4.130 50 10 JIGE C[C@H]1CN(Cc2ccccc2)CCN1S(=O)(=O)c1cc(CBr)ccc1Cl 1885130938 NQMSCDAUJTYWLA-HNNXBMFYSA-N 457.821 4.130 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H]2CC[C@]2(CCl)C1 1903983269 JOAAVJMOUXPTSH-HZMBPMFUSA-N 454.533 4.145 50 10 JIGE C[C@@H](Br)C1(NS(=O)(=O)c2c(Cl)cc(Br)cc2Cl)CC1 1913497993 POBPRXDFXMSMTF-ZCFIWIBFSA-N 451.995 4.350 50 10 JIGE C[C@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1sccc1Br 1914631516 DFLTUYCGYOLTCM-NSHDSACASA-N 453.221 4.485 50 10 JIGE O=C(c1cc(Br)sc1Br)N1C[C@H](Br)[C@H](Br)C1 1990922126 KYQGCHRQWATZJK-OLQVQODUSA-N 496.844 4.256 50 10 JIGE COc1ccc(C[C@H](Br)CN2C(=O)c3ccccc3C2=O)c(OC)c1Br 1994838365 VZGNAYNHURTEMB-LBPRGKRZSA-N 483.156 4.069 50 10 JIGE O=C(c1ccc(Br)cc1Br)N1C[C@H](Br)[C@H](Br)C1 2019466807 UYKWNNXBBOBFHF-AOOOYVTPSA-N 490.815 4.194 50 10 JIGE CC[C@H](CBr)N(C)C(=O)c1ccc(Br)cc1I 2026220403 DJIIIJRBPFBYHX-SECBINFHSA-N 474.962 4.299 50 10 JIGE COC[C@@](C)(CBr)N(C)C(=O)c1cccc(Br)c1Br 2092332724 JDWULJFUOZENPR-CYBMUJFWSA-N 457.988 4.084 50 10 JIGE CC1CC(CBr)(CNC(=O)c2ccc(I)c(Cl)c2)C1 2128732147 DYKFAHMGPXGHRT-UHFFFAOYSA-N 456.549 4.486 50 10 JIGE O=C(N[C@@H]1CC[C@@H]2C[C@]21CBr)c1cc(I)ccc1Br 2132117814 YWQMZYKFIUGFTI-RGZBUGHASA-N 498.984 4.347 50 10 JIGE C[C@@H](Cl)c1nc2cc(I)ccc2n1-c1cc(Br)n(C)n1 2155774220 YBOZMFPXDMIDAN-SSDOTTSWSA-N 465.520 4.426 50 10 JIGE CCS[C@H]1CCCN(S(=O)(=O)c2cc(CBr)sc2Br)C1 2179774201 CUPFHDAYTIEWKK-VIFPVBQESA-N 463.282 4.312 50 10 JIGE CS[C@@H]1CC[C@H](N(C)S(=O)(=O)c2cc(CBr)sc2Br)C1 2179787920 VPTLXYHXVMLHAW-DTWKUNHWSA-N 463.282 4.310 50 10 JIGE O=C(c1cc(I)ccc1O)N1CCCC[C@H]1CCCBr 2206676137 ZUTKFRZAGCZFTH-LBPRGKRZSA-N 452.130 4.167 50 10 JIGE CC(CBr)(CBr)NC(=O)Cc1ccc(Br)cc1Cl 2221702080 BJLFAWCNNKNALO-UHFFFAOYSA-N 462.407 4.310 50 10 JIGE CC1(C)CCN(C(=O)c2c(F)cccc2I)C[C@@H]1CBr 2282802616 ASVYKEKVVQUWKJ-JTQLQIEISA-N 454.121 4.314 50 10 JIGE COc1ccc(C(=O)N=C2NC(=C(C#N)C(=O)Nc3cc(C)cc(C)c3)c3ccccc32)cc1OC 2296275716 VFBRGOQEIAJGET-UHFFFAOYSA-N 480.524 4.384 50 10 JIGE Cc1c(NC(=O)C(C#N)=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c(=O)n(-c2ccccc2)n1C 2296500316 GIFMKVOAOPTMQY-UHFFFAOYSA-N 469.457 4.198 50 10 JIGE CCc1ccc(OCC(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2OC)cc1 2314737580 YXYBFAJJQFBYAV-UHFFFAOYSA-N 460.486 4.058 50 10 JIGE COc1ncc(Br)c(C)c1CO[C@](C)(CBr)CNC(=O)OC(C)(C)C 2319599160 CAQPMXAEZQBRLG-QGZVFWFLSA-N 482.213 4.356 50 10 JIGE CC(C)(C)OC(=O)NC[C@@](C)(CI)OCc1cc(C(C)(F)F)ccn1 2327974307 HZEXVLPGPRGZDX-MRXNPFEDSA-N 470.298 4.428 50 10 JIGE COc1cc(Br)c(C(=O)N[C@H](CCCl)COCc2ccccc2)cc1OC 2369678038 XASMFEAAYKOQIQ-OAHLLOKOSA-N 456.764 4.410 50 10 JIGE CC(C)Oc1cccc(C(=O)NNC(=O)COc2ccc3ccccc3c2Br)c1 10471653 MLQKLPOJRPMWPU-UHFFFAOYSA-N 457.324 4.230 50 10 JIGE Cc1cc(Br)cc(C)c1O[C@@H](C)C(=O)NNC(=O)c1ccc(OCC(C)C)cc1 14643386 MTUYRJSWHMCFPB-INIZCTEOSA-N 463.372 4.329 50 10 JIGE C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 14665913 BXSAVPSIMCMYOV-GOSISDBHSA-N 459.546 4.465 50 10 JIGE COc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)NCc2ccccc2)cc1 34713466 XSARKUQPNYCHNB-HKWRFOASSA-N 466.497 4.027 50 10 JIGE CCOc1ccc(/C=C2/C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1OCC 38608353 NBBUKCRPZPNYSJ-KGENOOAVSA-N 490.556 4.336 50 10 JIGE O=C(NNc1ncnc(Nc2cccc(Cl)c2)c1[N+](=O)[O-])c1ccc(Cl)c([N+](=O)[O-])c1 40648627 DYOVUJCICZZYCD-UHFFFAOYSA-N 464.225 4.100 50 10 JIGE COc1ccc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1O 40911209 PTELQMARWNCTNC-ZMOGYAJESA-N 455.308 4.359 50 10 JIGE Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1/C=N/NC(=O)COc1ccc(C(C)(C)C)cc1 59166976 JLMOIQIPFVNKCJ-DHRITJCHSA-N 494.508 4.132 50 10 JIGE O=C(N/N=C/c1cc(Br)cc(Br)c1O)c1cc(Br)ccc1O 59447317 FLJOPACDELYPRV-NGYBGAFCSA-N 492.949 4.149 50 10 JIGE Cc1ccc(NCc2nnc(SCC(=O)NN=Cc3ccccc3)n2-c2ccccc2)cc1 254395757 VMDUIAGKGXKEFF-UHFFFAOYSA-N 456.575 4.430 50 10 JIGE CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NN=C[C@@H](C)c2ccccc2)cc1 254508703 VOTMDKJCUAMCQR-GOSISDBHSA-N 451.548 4.405 50 10 JIGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc(C)cc3)cc2OC)cc1 254522713 WXGUCROVHZIRFX-UHFFFAOYSA-N 462.502 4.151 50 10 JIGE O=S(=O)(N[C@@H](CBr)CC(F)(F)F)c1cc(Cl)c(Br)s1 717832464 XOSQGTQBYPORFT-SCSAIBSYSA-N 465.538 4.158 50 10 JIGE COc1ccc(Br)c(C(=O)NNC(=O)NCc2ccc(-c3csc(C)n3)cc2)c1 728747430 FYWQLNLZDDXIFR-UHFFFAOYSA-N 475.368 4.034 50 10 JIGE CCn1nc(C(=O)NNC(=O)N[C@@H](c2ccc(C(C)C)cc2)c2cccs2)c2ccccc2c1=O 916204989 CHAGOWMJGIEYIS-QFIPXVFZSA-N 489.601 4.335 50 10 JIGE O=C(NN=C1C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21)[C@@H](O)c1ccccc1 1084012773 GDZBQSDVEUYIIH-NRFANRHFSA-N 454.313 4.094 50 10 JIGE CC(=O)N1CC[C@H](CN(C)C(=O)/C(C#N)=C\c2cc(C)n(-c3cccc4ccccc34)c2C)C1 1535464889 KFUQWYIOILPDEP-OOEUXUOGSA-N 454.574 4.481 50 10 JIGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)c1 1865692977 QJODOKKVTFYEIN-GOSISDBHSA-N 474.414 4.325 50 10 JIGE C[C@@H]1[C@@H](Br)CCN1C(=O)c1cc(Br)ccc1I 1914448764 MPQOVIGLTUOGBP-XCBNKYQSSA-N 472.946 4.052 50 10 JIGE O=C(N[C@@H](CBr)C[C@@H]1CCCO1)c1scc(Br)c1Br 1926771967 YTFVHKAJSDWMHR-SFYZADRCSA-N 476.028 4.336 50 10 JIGE C[C@H](Br)[C@@H]1CCN1C(=O)c1cc(I)ccc1Br 2011149674 SGFONEMOAFMROE-CPCISQLKSA-N 472.946 4.052 50 10 JIGE CC1(C)CN(C(=O)c2cc(I)ccc2Br)[C@H]1CBr 2031679320 JPEKNHHMGGDXCM-NSHDSACASA-N 486.973 4.299 50 10 JIGE CN1CCC[C@H]([C@@H](Br)c2cc(Br)ccc2Br)S1(=O)=O 2089531800 OEMMUEKJOJXAHU-NEPJUHHUSA-N 476.028 4.072 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@@H](Br)[C@H](C2CC2)C1 2090685482 PITYOXDHPHHYFG-WCQYABFASA-N 498.984 4.299 50 10 JIGE CO[C@]1(CBr)CCCN(C(=O)c2csc(Br)c2Br)C1 2093942300 PDTQTEZIKGIDJW-LBPRGKRZSA-N 476.028 4.289 50 10 JIGE Cc1c(Br)cc(CCl)cc1S(=O)(=O)N(CCN(C)C)Cc1ccccc1 2095867419 ZYWGFDISUWUPFG-UHFFFAOYSA-N 459.837 4.249 50 10 JIGE O=C(N[C@@H]1CC[C@H]2C[C@@]21CCl)c1ccc(Br)cc1I 2142278253 ALDVHFUPUQLMCR-REAQECSSSA-N 454.533 4.191 50 10 JIGE Cc1cc(CBr)cc(S(=O)(=O)N2CCN(Cc3ccccc3)C[C@@H]2C)c1C 2179863590 OUACIIBVUNCRJQ-KRWDZBQOSA-N 451.430 4.093 50 10 JIGE O=C(c1cc(I)ccc1Br)N1[C@H]2CC[C@H]1[C@@H](F)[C@@H](Cl)C2 2190671994 XRWVFMFGRBJKHB-WTFGDDLMSA-N 472.523 4.376 50 10 JIGE CC[C@@H](C)[C@H](CI)NS(=O)(=O)c1ccc(Cl)c(F)c1Cl 2201197206 YODYNIWKWUPNNU-APPZFPTMSA-N 454.132 4.261 50 10 JIGE C[C@H](Cl)c1nc2cncnc2n1-c1ccc(Br)c(I)c1 2235284638 WYGZWEVFEFAIQM-ZETCQYMHSA-N 463.504 4.482 50 10 JIGE Cc1nc(Br)c(C(=O)N(Cc2ccccc2)[C@@H](CBr)C2CC2)n1C 2300290076 GCHNNMMZZFCRLX-HNNXBMFYSA-N 455.194 4.307 50 10 JIGE COc1cc(C(=O)NCC(O)=C(C#N)c2nc(-c3cccs3)cs2)cc(OC)c1OC 2331326360 ZJEDJMXKJIQFMW-UHFFFAOYSA-N 457.533 4.120 50 10 JIGE CC(C)(C)OC(=O)N[C@@H]1CCN(C[C@@]2(CBr)CC2(F)F)[C@H](C(F)(F)F)C1 2351886354 YCTPVASFBIHKJN-SUNKGSAMSA-N 451.274 4.327 50 10 JIGE O=C(COc1ccc(Br)cc1)NC(=S)NNC(=O)c1sc2ccccc2c1Cl 12572135 XGQSWWZFOPOEEN-UHFFFAOYSA-N 498.811 4.032 50 10 JIGE CC[C@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCCC(C)C)cc2)cc1 14037301 JJRUVMRZOLSUDZ-SFHVURJKSA-N 471.623 4.340 50 10 JIGE CCCCCCOc1ccc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1Br 14640764 WGUCWJLNKFNRLJ-UHFFFAOYSA-N 464.316 4.391 50 10 JIGE Cc1cc(C)cc(Nc2ncnc(NNC(=O)c3ccc(Br)cc3)c2[N+](=O)[O-])c1 40583044 ZKUNJCCHJPYPEG-UHFFFAOYSA-N 457.288 4.265 50 10 JIGE Cc1ccc(Nc2ncnc(NNC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2[N+](=O)[O-])cc1Cl 40591056 HQHVFQNPJFQALY-UHFFFAOYSA-N 478.252 4.409 50 10 JIGE C=CCNC(=O)c1cc2ccc(OC(=O)/C(C#N)=C/c3ccc(OCCC)cc3)cc2oc1=O 40894480 JWXACLOMAPELHW-CPNJWEJPSA-N 458.470 4.010 50 10 JIGE O=C(N/N=C1\C(=O)N(CCc2ccccc2)c2ccc(Br)cc21)c1cccc(F)c1 59146405 ZVKAVQOOCSJONQ-QLYXXIJNSA-N 466.310 4.312 50 10 JIGE COC(=O)c1ccc(C(=O)OC)c(N/C=C(/C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)c1 102417990 XLADOIXSIURSIL-VBKFSLOCSA-N 479.514 4.377 50 10 JIGE N#C/C(=C/NCCc1ccc(F)cc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216505549 WEOUWRRIQQGSBJ-ROMGYVFFSA-N 468.576 4.299 50 10 JIGE COc1ccc(C=NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1COc1ccc(C)cc1[N+](=O)[O-] 252588857 AFHWAEQJKKXNDN-UHFFFAOYSA-N 464.434 4.163 50 10 JIGE C/C(C=NNC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1)=C/c1ccccc1 252590138 APKIAFPJVOZLRK-RJZCNXSMSA-N 453.498 4.392 50 10 JIGE Cc1cccc(N)c1[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CI 382726828 QYVUYEWUKGZQEU-DLBZAZTESA-N 450.320 4.364 50 10 JIGE BrCc1cc(Br)c(OC[C@@H]2C[C@H]3COC[C@H]3O2)c(Br)c1 724603783 IWMSBSRNQTVGRO-OUJBWJOFSA-N 470.983 4.289 50 10 JIGE CCOc1cc(C=NNC(=O)C(=O)Nc2ccc(F)cc2)ccc1OCc1ccc(F)cc1 1084004759 IFTJZVYEVJRZFV-UHFFFAOYSA-N 453.445 4.031 50 10 JIGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(OCC)c(OC)cc2Br)cc1 1084295564 ZYQKXYYHUORQLJ-LJQANCHMSA-N 479.371 4.219 50 10 JIGE C/C(=C\c1ccc(Br)o1)C(=O)NNC(=O)[C@H](C)Oc1c(C)cc(Cl)cc1C 1628196399 ICWXTCXAMDZTHR-SRXBQZRASA-N 455.736 4.331 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(F)c2)[C@@H]1c1cccc([N+](=O)[O-])c1 1865706357 URRHRRNOEDGGLM-MRXNPFEDSA-N 459.359 4.216 50 10 JIGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2cc(Cl)c(O)c(OC)c2)cc1 1865706894 IBXVHXBMRORCFP-INIZCTEOSA-N 492.841 4.485 50 10 JIGE O=C(N[C@H](CBr)C[C@@H]1CCCO1)c1scc(Br)c1Br 1926771968 YTFVHKAJSDWMHR-YUMQZZPRSA-N 476.028 4.336 50 10 JIGE CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)C[C@H](CBr)CC2CC2)C1 1961124294 ALTZQYFMIFVIRF-FQEVSTJZSA-N 467.448 4.282 50 10 JIGE F[C@@H]1[C@H](Br)C[C@H]2CC[C@H]1N2c1ncc(I)cc1Br 2070540526 UUDVVWQNZSTPFM-YJFSRANCSA-N 489.952 4.291 50 10 JIGE COc1ccc(CN2C(=O)[C@@H]3CCCN3c3ccc([N+](=O)[O-])cc3C2=C(C#N)NC(C)(C)C)cc1 2297427494 HJUHSPAICCZAIF-QHCPKHFHSA-N 475.549 4.195 50 10 JIGE O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)C1=Cc1ccc(N(CCCl)CCCl)cc1 2313548075 LAOOXGWJJNCJDQ-UHFFFAOYSA-N 466.752 4.290 50 10 JIGE COCCCN1C(=O)C(=Cc2ccc(-c3ccc(Br)cc3)o2)C(C)=C(C#N)C1=O 2314618511 OSFTWIGEMHBTHD-UHFFFAOYSA-N 455.308 4.338 50 10 JIGE COCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)c(C)c2)C(C)=C(C#N)C1=O 2314618650 QZTJUXONDNRMAA-UHFFFAOYSA-N 482.540 4.095 50 10 JIGE Cc1sc2ncn(CC(=O)NN=Cc3c(F)cccc3Cl)c(=O)c2c1-c1ccccc1 2325903923 IEEHHNBASZKBIN-UHFFFAOYSA-N 454.914 4.376 50 10 JIGE Clc1ccc(CN2CCC3(CC2)C[C@H](Br)CO3)cc1I 2362384333 YXWASOPVKZIVGV-LBPRGKRZSA-N 470.576 4.463 50 10 JIGE O=C(c1cccc(I)c1)N1CCC[C@@H](Br)[C@@H]1C(F)(F)F 2370243553 OKGWGPFDQKAWKJ-GHMZBOCLSA-N 462.047 4.222 50 10 JIGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OCC)c(OC)c2)sc(C(C)=O)c1C 1959317 PYRJCRISKOBTFK-MHWRWJLKSA-N 456.520 4.389 50 10 JIGE COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)OCC(=O)Nc3ccccc3OC)c2C)cc1 9221972 BUOVRHMYSHQRGQ-XSFVSMFZSA-N 459.502 4.200 50 10 JIGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=O)C1CCCCC1 12491018 BNAURDSUCNZPKK-UHFFFAOYSA-N 484.188 4.471 50 10 JIGE CC(C)Oc1ccc(C(=O)NNC(=O)CCC(=O)Nc2ccccc2Cl)cc1Br 14658843 HYKPVAMVKSSNSV-UHFFFAOYSA-N 482.762 4.070 50 10 JIGE CCOC(=O)Nc1ccc(C(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)cc1 14842584 FRKVFKMWYIUODT-UHFFFAOYSA-N 451.454 4.048 50 10 JIGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)/C(C#N)=C\c2ccc(OCC)c(OC)c2)c(OCC)c1 33378290 RLPWWUGCNNWXLY-STLXZYOISA-N 490.512 4.475 50 10 JIGE COc1cccc2cc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)N3CCOCC3)oc12 33515855 ZUFNMKUVPBHOCO-RGEXLXHISA-N 454.486 4.060 50 10 JIGE Cc1ccc2cccc(Oc3ncnc(NNC(=O)c4ccccc4Br)c3N)c2n1 40752333 XZUYPTZNMDFIOV-UHFFFAOYSA-N 465.311 4.227 50 10 JIGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cc3cc(Br)ccc3o2)c(OC)c1 41007495 ITXLPOURASRADV-CXUHLZMHSA-N 499.317 4.093 50 10 JIGE O=S(=O)(c1cc(Cl)c(Br)s1)N(CCBr)CC(F)(F)F 231588103 NWWYOTHFUDHPSV-UHFFFAOYSA-N 465.538 4.112 50 10 JIGE Cn1ncc([C@H](Br)c2ccc(Br)cc2)c1I 379211592 NNIQQROAZCCSOY-SNVBAGLBSA-N 455.919 4.272 50 10 JIGE C[C@H]1CC[C@@H](Br)CN1C(=O)c1cc(Br)ccc1I 399428750 QJOHYCHDEDVOJR-WCBMZHEXSA-N 486.973 4.442 50 10 JIGE C[C@@H](CBr)[C@@H]1CCCCN1C(=O)c1ccc(F)cc1I 696708295 CSHCEWDBLNTBBG-HZMBPMFUSA-N 454.121 4.456 50 10 JIGE CC[C@H](NC(=O)c1ccc(I)c(Br)c1)[C@H](C)Br 721580211 UQOMEZRJZZWFCO-CPCISQLKSA-N 474.962 4.346 50 10 JIGE Cc1cc(C=NNC(=O)[C@H]2COc3ccccc3O2)c(C)n1-c1cccc(Br)c1 725414730 QNXKYWDWJRTEPY-OAQYLSRUSA-N 454.324 4.147 50 10 JIGE Cc1ccc([C@H](CNC(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)N2CCCC2)o1 726271012 LKRQKWGBMMDGNG-QFIPXVFZSA-N 480.540 4.087 50 10 JIGE N#CCCn1cc(/C=C(\C#N)C(=O)NCCSCc2ccccc2C#N)c(-c2ccccc2)n1 914463417 BSSRYVZAWMHXIT-HZHRSRAPSA-N 466.570 4.292 50 10 JIGE CSCC(=O)Nc1ccc(OC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)cc1 920293915 BSVJAKVQFXXKJT-RGEXLXHISA-N 471.542 4.278 50 10 JIGE CC(=O)N(c1ccc(NC(=O)NNC(=O)COc2cc(C)ccc2C(C)C)cc1)[C@H]1C[C@H]1C 1672172708 MWIHLTUHRMDXKV-VGSWGCGISA-N 452.555 4.111 50 10 JIGE O=C(COc1ccc(-c2ccccc2)cc1Br)NN=Cc1ccccc1C(=O)O 1772753832 KYDALFFIWYLLBB-UHFFFAOYSA-N 453.292 4.343 50 10 JIGE CCC[C@H](NC(=O)[C@H]1CCCN1Cc1ccccc1F)C(=O)Nc1ccc(SC#N)cc1 1866917351 GPCLZFJFOVJZPI-FCHUYYIVSA-N 454.571 4.287 50 10 JIGE CC(C)(C)OC(=O)NC[C@@](C)(CI)O[C@@H]1COC2(CCCCC2)C1 2017996934 ZYWSQHXXBPMTGM-WMLDXEAASA-N 453.361 4.213 50 10 JIGE C=CC[C@@H](CBr)NC(=O)c1cc(I)ccc1Br 2019474079 DZYZOWMVXWNZDW-VIFPVBQESA-N 472.946 4.123 50 10 JIGE C[C@@H]1C[C@H]1N(CCBr)C(=O)c1ccc(Br)cc1I 2086150196 XTWFYMCSQQLBOD-PRHODGIISA-N 486.973 4.299 50 10 JIGE CCN1CCC[C@H]([C@H](Cl)c2cc(Br)sc2Br)S1(=O)=O 2089513342 DILSZSJRXNVJRH-PSASIEDQSA-N 451.633 4.367 50 10 JIGE CC[C@@H](C)[C@@H](CI)NS(=O)(=O)c1c(C)sc(C)c1Br 2136497442 TWQXDZKLOPABJC-GMSGAONNSA-N 480.231 4.255 50 10 JIGE O=C(c1cc(Br)c(Br)s1)N1CC[C@@]2(C[C@@H](Br)CO2)C1 2137133413 RNXLTTGXQVKHFJ-JMCQJSRRSA-N 474.012 4.042 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@H](Br)CC2(CC2)C1 2142280872 KCLKCJMXIHHGGR-SNVBAGLBSA-N 498.984 4.443 50 10 JIGE C[C@]1(CBr)CC(F)(F)CN1C(=O)c1cc(I)ccc1F 2169660803 BXOALAJZKZIAAP-GFCCVEGCSA-N 462.047 4.065 50 10 JIGE CN(C(=O)c1ccc(F)cc1I)[C@H](CCBr)C(F)(F)F 2178515222 JZKLHTZPNPIVOS-SNVBAGLBSA-N 468.026 4.218 50 10 JIGE O=C(c1cc(I)ccc1F)N1[C@H]2CC[C@@H]1C[C@@H](CBr)C2 2184577430 JYABRUHRCZGCRV-WLLOZRIZSA-N 452.105 4.208 50 10 JIGE CN(C[C@@H](Br)COCc1ccccc1)C[C@H]1CC1(Br)Br 2209113795 NWJBRUJGJSVINW-ZIAGYGMSSA-N 470.043 4.405 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N[C@H]1CC[C@@H](CBr)C1 2277914238 FUKPNFUGXNZFSB-RNCFNFMXSA-N 454.000 4.434 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)NCC1(CBr)CCC1 2277927403 LLIGYVFLYJJYFZ-UHFFFAOYSA-N 454.000 4.436 50 10 JIGE CCCOC(=O)c1cc(-c2ccc(C=C3C(=O)N(C[C@H](C)O)C(=O)C(C#N)=C3C)o2)ccc1Cl 2297313653 RVICBVPJNTUVGZ-AWEZNQCLSA-N 482.920 4.140 50 10 JIGE COc1ccc(-n2c(C)cc(C=C(C#N)C(=O)NC[C@H](c3cccs3)N3CCOCC3)c2C)cc1 2297372310 NRDZRWTUUGKGJE-RUZDIDTESA-N 490.629 4.261 50 10 JIGE CCOc1ccc(-n2c(C)cc(C=C(C#N)C(=O)OCC(=O)c3ccc4c(c3)NC(=O)CO4)c2C)cc1 2297631155 ULGKPAPXFAUGDB-UHFFFAOYSA-N 499.523 4.157 50 10 JIGE CC(C)(CI)CN=[S@@]1(=O)CC[C@H](CNC(=O)OC(C)(C)C)C1(C)C 2306816543 SIBAOXQTMWLKGO-YEBMWUKDSA-N 472.433 4.239 50 10 JIGE Cn1cc(I)c(COc2cccc(Br)c2CBr)n1 2319227173 YLSFXZLNCZZHLV-UHFFFAOYSA-N 485.945 4.261 50 10 JIGE COc1ccc(C=C(C#N)C(=O)NCc2ccc3n2CCN(C(=O)OC(C)(C)C)[C@H]3C)cc1OC 2329700918 SWBPSYRZQGDXQE-KRWDZBQOSA-N 480.565 4.040 50 10 JIGE CC(C)(C)[C@@H]1[C@H](Br)CCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364213449 BHSKEHYAWCFSQN-MOPGFXCFSA-N 499.471 4.057 50 10 JIGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2)cc1 14007341 PEUFBEXZWWBOLN-MRXNPFEDSA-N 451.910 4.129 50 10 JIGE CCOc1ccc(Br)cc1C(=O)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 14654956 HBRJZCMVCMVWKR-JTQLQIEISA-N 476.154 4.383 50 10 JIGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)cc1OC 38658537 LFYGSKMGDQSNEA-ODCWNRFASA-N 490.487 4.434 50 10 JIGE Cc1ccccc1C(=O)NNc1ncnc(Nc2ccc(Br)cc2F)c1[N+](=O)[O-] 40657732 LRKLXYUOYRMRGD-UHFFFAOYSA-N 461.251 4.095 50 10 JIGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(C)n(-c3cccc(C(=O)O)c3)c2C)cc1 58893403 YFAUXQXCPBTCRG-YMCFUUGVSA-N 463.534 4.155 50 10 JIGE CC1(C)O[C@H]2[C@H](CO[Si](C)(C)C(C)(C)C)O[C@H](n3ccc4c(Cl)nc(N)nc43)[C@@H]2O1 196304040 WXKYMEIKPSQDLH-ZJOBFFGXSA-N 455.031 4.106 50 10 JIGE C=CCn1c(CNc2ccc(C)cc2)nnc1S[C@H](C)C(=O)NN=Cc1ccccc1F 252632600 VUUVJSJDMAKLDX-QGZVFWFLSA-N 452.559 4.155 50 10 JIGE O=C(CN1C[C@H](c2ccccc2)CC1=O)NN=Cc1cn(Cc2ccccc2F)c2ccccc12 254348831 JXWYWMXEZNPMCJ-JOCHJYFZSA-N 468.532 4.295 50 10 JIGE COc1ccccc1NC(=O)COc1ccc(C=NNC(=O)c2ccccc2-n2cccc2)cc1 254913919 ZHYKGSCEUZSWHQ-UHFFFAOYSA-N 468.513 4.267 50 10 JIGE C=CCOc1ccccc1C=NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2C)c1 916263265 RZGRJDLWHBYBBQ-UHFFFAOYSA-N 463.559 4.433 50 10 JIGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(-c3cccc(C(=O)OC)c3C)o2)cc1 1083930292 ODUPGCXEJGGXAO-HSZRJFAPSA-N 464.518 4.404 50 10 JIGE O=C(NN=C1C(=O)N(CCc2ccccc2)c2ccc(Br)cc21)C1CCCCC1 1083947683 MMSBJMFERPOFEA-UHFFFAOYSA-N 454.368 4.439 50 10 JIGE CCOc1cc(I)cc(C=NNC(=O)COc2cccc3ccccc23)c1O 1565517666 GMRSSQDUZWCKKM-UHFFFAOYSA-N 490.297 4.078 50 10 JIGE Cc1cccc(C(=O)NN=C2CCCc3oc(C(=O)NC4CC(C)(C)NC(C)(C)C4)c(C)c32)c1 1772743525 DWRNTAFPBSEABQ-UHFFFAOYSA-N 464.610 4.406 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(F)c2)[C@@H]1c1ccc([N+](=O)[O-])cc1 1865712941 MRCVJOSJDCSDCL-MRXNPFEDSA-N 459.359 4.216 50 10 JIGE CC[C@H](NC(=O)CCc1csc(-c2ccncc2)n1)C(=O)Nc1ccc(SC#N)cc1 1867063701 OWPYNASDSCUYJM-IBGZPJMESA-N 451.577 4.244 50 10 JIGE O=C(COc1ccc(C(=O)NCc2ccccc2)cc1)N/N=C/c1ccc(-c2ccc(C(=O)O)cc2)o1 1873496507 WLRXQDSNKYVRPD-OCSSWDANSA-N 497.507 4.104 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@@H]2CC[C@]2(CBr)C1 1903983251 JLLWPIZMFZUJDF-XPTSAGLGSA-N 498.984 4.301 50 10 JIGE CCN1CC[C@H]([C@@H](Br)c2cc(Br)c(Br)s2)S1(=O)=O 2029056864 AWBUMYHVVJOWCU-BDAKNGLRSA-N 482.057 4.133 50 10 JIGE O=C(CBr)c1ccc(OC(F)F)c(Br)c1I 2054809695 LHZCRVMHGVHXHQ-UHFFFAOYSA-N 469.845 4.233 50 10 JIGE C[C@]1(CCBr)CCN1C(=O)c1cc(I)ccc1Br 2084700159 NWBXYMRICYHDFI-ZDUSSCGKSA-N 486.973 4.443 50 10 JIGE O=C(c1c(Br)cccc1Br)N1C[C@@H]2C[C@H](C[C@H]2Br)C1 2107288470 KIHUSHYSMPXKAP-VDDIYKPWSA-N 451.984 4.457 50 10 JIGE O=C(NCC1CCC(CBr)CC1)c1cc(I)ccc1F 2169664883 NOECVKQHCATPKK-UHFFFAOYSA-N 454.121 4.361 50 10 JIGE C[C@]1(CCOCc2ccccc2)CCN1S(=O)(=O)c1ccc(F)c(CBr)c1 2197751057 BXXGWBULJJWKJZ-HXUWFJFHSA-N 456.377 4.481 50 10 JIGE C[C@@H]1CN(C(=O)c2c(F)cccc2I)CC[C@H]1CCBr 2282794076 GVWLQVAWMNGJDX-GHMZBOCLSA-N 454.121 4.314 50 10 JIGE O=C(N[C@H]1C[C@H]2CC[C@H]1[C@@H](Br)C2)c1c(F)cccc1I 2282810116 OUSSHDDOCQKAQJ-YVNDNENWSA-N 452.105 4.112 50 10 JIGE O=C(Cc1cccc(Br)c1)N[C@H](CCBr)COCc1ccccc1 2303547000 MSEIJRWUIPIFJP-GOSISDBHSA-N 455.190 4.478 50 10 JIGE COc1cccc(C=NNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)c1OCc1ccccc1F 2328833178 WPMLOIKERXYTOH-NRFANRHFSA-N 473.545 4.413 50 10 JIGE CC[C@@H]1CN(C(=O)c2ccc(Cl)cc2I)C[C@H]1CBr 2340055514 FRSZMGJHNCUQFC-NXEZZACHSA-N 456.549 4.438 50 10 JIGE Cc1ccc(CBr)c(OCc2c(Br)nnn2C)c1Br 2352949017 XMGCXRJHPOXRJI-UHFFFAOYSA-N 453.960 4.122 50 10 JIGE C[C@@H](Br)CN(C(=O)c1cc(I)ccc1O)C1CCCC1 2368861734 NKNHODKHKNWXEH-SNVBAGLBSA-N 452.130 4.165 50 10 JIGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2cccc(Cl)c2)cc1OC 3144559 YJRTYZBHWZKOFA-XIWWWBPQSA-N 463.921 4.278 50 10 JIGE COCCOc1ccc(C(=O)NNC(=O)c2ccc(-c3ccccc3)cc2)cc1Br 14661436 VJCJGUXBKVGOOJ-UHFFFAOYSA-N 469.335 4.216 50 10 JIGE CNC(=O)/C(C#N)=C1/S[C@@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(F)cc1 33733245 HNCIMJBMTWXHSL-AWZALFRUSA-N 450.322 4.305 50 10 JIGE Cc1ccccc1C(=O)NNC(=O)CCCCCN1C(=O)/C(=C/c2cccs2)SC1=S 34990861 PRGPJODSPDZJIE-JXAWBTAJSA-N 473.645 4.279 50 10 JIGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)cc1 38683454 AUYXEXSXKSRUJA-XMMPIXPASA-N 490.899 4.329 50 10 JIGE CC1=C(C(=O)N/N=C/c2ccc(Cl)cc2Cl)[C@@H](c2ccc(N(C)C)cc2)NC(=S)N1 59384206 UDANRORWNDOEBA-CCYMUMOUSA-N 462.406 4.003 50 10 JIGE CCCOc1ccc([C@H](C(=O)NC2CCC(C)CC2)N(C(=O)CCl)C2CC2)cc1OC 97914720 RIKXUTDKFJGPBQ-OGRDWSCISA-N 451.007 4.450 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CCC[C@H](CBr)C1 232471415 RWOSSPOWYIJLGD-SECBINFHSA-N 486.973 4.301 50 10 JIGE COc1cc(C(C)=NNC(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)cc(OC)c1OC 254381704 ZKODJRBDILLCOP-UHFFFAOYSA-N 462.428 4.071 50 10 JIGE COc1ccc2c(c1)CCCC2=NNC(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O 254519293 HQZOMRQMSSJWMF-UHFFFAOYSA-N 477.586 4.132 50 10 JIGE FC(F)(F)Oc1ncc(CBr)c(Br)c1I 396148402 BASAPPFALJWTDD-UHFFFAOYSA-N 460.813 4.242 50 10 JIGE COc1ccc(-c2cnc(CCC(=O)NNC(=S)Nc3ccc(OC(C)C)cc3)o2)cc1 727494206 FABYEALRSHELOV-UHFFFAOYSA-N 454.552 4.088 50 10 JIGE C[C@H](OC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1)C(=O)NCc1cccs1 729618487 BRTVVOOLVSVOGV-IQFISFIMSA-N 493.976 4.334 50 10 JIGE COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccccc2N2C[C@H](C)O[C@H](C)C2)c1C 917759914 GQBHEFIOIJYRIC-NEKUIGMCSA-N 450.583 4.472 50 10 JIGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(-c3ccc(C(=O)OC)cc3C)o2)cc1 1084362622 FKLMVVPMSGVKAB-HSZRJFAPSA-N 464.518 4.404 50 10 JIGE Cc1nc2ccc(Cl)cn2c1C(=O)NN=Cc1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1 1084519905 XPDQXENGJBKXLK-KRWDZBQOSA-N 489.963 4.316 50 10 JIGE C#Cc1cccc(NC(=O)CN(C)C(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(C)c3)c2C)c1 1350924526 UAAJOAQDYYUKDF-JLPGSUDCSA-N 450.542 4.388 50 10 JIGE CC(C)(C)OC(=O)N1C[C@H](CI)[C@H](c2cc(F)ccc2[N+](=O)[O-])C1 1614691312 BQNVZDMOKBTMMG-GXFFZTMASA-N 450.248 4.119 50 10 JIGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)CNC(=O)c3cc(OC)c(OC)c(OC)c3)n2)cc1 1872747714 REJAKCROBCZJDN-ZZEZOPTASA-N 495.557 4.457 50 10 JIGE O=C1c2ccccc2C(=O)N1C[C@H](Br)Cc1c(F)cc(Br)cc1F 1905406865 VJVMTZVFAYUGFT-SNVBAGLBSA-N 459.084 4.330 50 10 JIGE C[C@@H](CCBr)N(Cc1ccccc1)S(=O)(=O)c1cncc(Br)c1 1915088154 GUSQAXWPGNBLBM-ZDUSSCGKSA-N 462.207 4.209 50 10 JIGE C[C@@](CCl)(NC(=O)c1cc(I)ccc1Br)C(F)F 2043177348 SXYXTXFWPLWSIF-NSHDSACASA-N 452.464 4.046 50 10 JIGE O=C(c1cc(Br)ccc1Br)N1C[C@@H](Br)[C@H](C2CC2)C1 2090684952 MBZPXDHIZMEKLC-WCQYABFASA-N 451.984 4.457 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@H](Br)C2(CCC2)C1 2108695137 ONNKGPZNSHYQAW-LBPRGKRZSA-N 498.984 4.443 50 10 JIGE C[C@H](CCCCCI)NS(=O)(=O)c1ccccc1Br 2117896120 XYHMMJZGGJRGDW-LLVKDONJSA-N 460.175 4.111 50 10 JIGE FC(F)(F)c1cnc(N2C[C@H](C3CC3)[C@@H](Br)C2)c(I)c1 2146826955 JNUAFDXVIZKVCZ-ZJUUUORDSA-N 461.063 4.315 50 10 JIGE O=C(NC[C@]1(CBr)CC12CCC2)c1cccc(F)c1I 2154182211 QJUGWAXTMYVFQW-OAHLLOKOSA-N 452.105 4.115 50 10 JIGE BrCc1cc(Br)c(OC[C@@H]2C[C@H]3OCC[C@@H]3O2)c(Br)c1 2163234716 KRWSTZMJLIUJSO-TVYUQYBPSA-N 470.983 4.432 50 10 JIGE O=S(=O)(NC[C@H](Br)CC(F)(F)F)c1ccc(Br)cc1Cl 2175687691 BASMSRMDBLNYHL-SSDOTTSWSA-N 459.509 4.097 50 10 JIGE CN(CC1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1cccc(CBr)c1 2179808790 MHNOGJUGMQIUNE-UHFFFAOYSA-N 451.430 4.114 50 10 JIGE CN(CC1(Br)CC1)S(=O)(=O)c1ccc(Cl)c(CBr)c1Cl 2196938133 NZXFSTOYPQWNFM-UHFFFAOYSA-N 466.022 4.436 50 10 JIGE O=C(Nc1ccc(Br)cc1I)[C@H]1C[C@@H](Br)C1 2212614358 VAQHUAFZOVJXCM-WRXNHJIOSA-N 458.919 4.166 50 10 JIGE Cn1cc(Br)c([C@H](Br)c2ccc3c(c2Br)CCO3)n1 2229747864 RZKAAZULWPDEOG-GFCCVEGCSA-N 450.956 4.364 50 10 JIGE CC(CBr)(CBr)NC(=O)c1ccc(Cl)c(I)c1 2248255466 QOSDDQIJNNWRCA-UHFFFAOYSA-N 495.380 4.223 50 10 JIGE COc1cc(NC(=O)OCc2ccccc2)c(C(=O)O)cc1OC[C@H]1C[C@@H]1Br 2256378231 AIUXAPGKXGLPOP-HIFRSBDPSA-N 450.285 4.304 50 10 JIGE O=C(N[C@@]1(CBr)C[C@H]2CC[C@H]1C2)c1ccc(F)cc1I 2283933837 SZIJHYMPCFMCJN-AMJWSMQMSA-N 452.105 4.114 50 10 JIGE Cc1cc(I)ccc1NC(=O)C(C#N)=CNc1ccc(F)c(F)c1F 2325409440 SSSWFAXXXLYQOD-UHFFFAOYSA-N 457.193 4.475 50 10 JIGE COCCOc1ccc(C=C(C#N)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 2331122839 RMEQAVVAHJSLGO-UHFFFAOYSA-N 452.466 4.033 50 10 JIGE NNC(=O)CCCCCCOc1c(Br)cc(Br)cc1Br 2363173427 JOHRJYVUVLWOOA-UHFFFAOYSA-N 473.003 4.293 50 10 JIGE O=C(CCC(=O)Nc1ccc(Br)cc1)N/N=C/c1cccc(Br)c1 1959935 MMFAVAKWIQGBOA-RGVLZGJSSA-N 453.134 4.081 50 10 JIGE Cc1cc(OCC(=O)NNC(=O)c2ccccc2OCCc2ccccc2)ccc1Br 10509185 AQCHXNOTJROHIC-UHFFFAOYSA-N 483.362 4.219 50 10 JIGE CC(C)COc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(OCc2ccccc2)cc1 14035452 MGOVIJOUHMLAJA-UHFFFAOYSA-N 477.586 4.250 50 10 JIGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)cc1 38687497 JYBLKYXOEJZWJR-FTJBHMTQSA-N 484.508 4.439 50 10 JIGE Nc1c(NNC(=O)c2ccc(Cl)cc2)ncnc1Nc1ncc(C(F)(F)F)cc1Cl 40784502 XAUBRBHNVYVMFM-UHFFFAOYSA-N 458.231 4.280 50 10 JIGE CCOC(=O)c1cccc(Nc2ncnc(NNC(=O)c3ccc(Cl)cc3Cl)c2N)c1 40793459 BHOUXOYRMSGBAT-UHFFFAOYSA-N 461.309 4.043 50 10 JIGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)ccc1OCc1ccccc1C#N 58887949 YYMSSKFMYYKNOW-HXTGAFFQSA-N 457.530 4.500 50 10 JIGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2ccc(-c3cc(C(=O)O)ccc3C)o2)cc1 58894666 SBWNYFKJZZTUFN-QVGKIPNLSA-N 450.491 4.316 50 10 JIGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(Br)c1O 58895202 XEKDEAXVWQSNQG-DEYGKZMTSA-N 461.356 4.246 50 10 JIGE C#CCOc1ccc(/C=N/NC(=O)CSCc2ccccc2Cl)cc1Br 59152113 UZXFZYVCNOCGAR-SSDVNMTOSA-N 451.773 4.498 50 10 JIGE O=C(O)c1ccc(COc2ccccc2/C=N/NC(=O)c2ccc(Br)cc2)cc1 59166532 MUPXNWIAXXFUOI-ZMOGYAJESA-N 453.292 4.490 50 10 JIGE CC1(C)O[C@@H]2[C@@H](n3ccc4c(Cl)nc(N)nc43)O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H]2O1 248178329 WXKYMEIKPSQDLH-LOUJCGABSA-N 455.031 4.106 50 10 JIGE CCOC(=O)c1c(NC(=O)NN=Cc2ccc(OC)c(Br)c2)sc2c1CCC2 256017261 ASCDJBXCKWHVHP-UHFFFAOYSA-N 466.357 4.340 50 10 JIGE ClCc1cc(Br)cc(I)c1I 575687927 ZINZKKUWTBMPRJ-UHFFFAOYSA-N 457.274 4.397 50 10 JIGE C[C@@H]1CCN(S(=O)(=O)c2cc(Br)ccc2Br)C[C@@H]1CBr 700446558 SFGVYCJVRCNZRV-ZJUUUORDSA-N 490.055 4.253 50 10 JIGE CCCOc1c(I)cc(C=NNC(=O)c2ccc(OCC)cc2)cc1OC 1083918253 XMPOWXZHLFDFHI-UHFFFAOYSA-N 482.318 4.251 50 10 JIGE COc1c(C)cccc1C(=O)NN=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 1084069959 SGQIQOSXYAWDDV-UHFFFAOYSA-N 450.407 4.376 50 10 JIGE COc1ccc(CNC(=O)C(=O)NN=Cc2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)cc1 1084094520 ZKKBZEXWNUHTHG-UHFFFAOYSA-N 473.360 4.176 50 10 JIGE Cc1ccc(NC(=O)COc2ccc(C=NNC(=O)C(=O)Nc3ccc(C(C)C)cc3)cc2)cc1 1084145618 UOHSYWIYPHJEIO-UHFFFAOYSA-N 472.545 4.225 50 10 JIGE COc1cc(C=NNC(=O)CSCc2ccccc2Br)cc(Br)c1O 1084495971 SVZKOWSQUFRJMA-UHFFFAOYSA-N 488.201 4.309 50 10 JIGE CC(=O)N1CCN(C(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)[C@@H](C)C1 1516095369 BXOZHMLAOKIXRJ-BKQORJHRSA-N 459.377 4.387 50 10 JIGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(N(C)C)cc2)cc1 1865683511 LLLDAIXIDLJYSB-SFHVURJKSA-N 455.440 4.184 50 10 JIGE CCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865704667 BGKTYSODMZYGKB-XMMPIXPASA-N 493.523 4.276 50 10 JIGE O=C1c2ccccc2C(=O)N1C[C@@H](Br)Cc1cc(F)c(Br)c(F)c1 1906738510 CRVZILYJDXPCFS-JTQLQIEISA-N 459.084 4.330 50 10 JIGE CN(Cc1cnn(Cc2ccccc2)c1)S(=O)(=O)c1cc(CCl)sc1Br 1915033445 QUJJDBMIKGLLFT-UHFFFAOYSA-N 474.833 4.315 50 10 JIGE O=C(N[C@@H]1C[C@H](CBr)[C@H]2C[C@@H]21)c1cc(Br)sc1Br 2048006811 XRPBXKPBHAJKON-JAGXHNFQSA-N 458.013 4.422 50 10 JIGE CCOC(=O)Cc1cc(I)c(CBr)cc1C(F)(F)F 2055267969 NKGOJXPHTXEPCI-UHFFFAOYSA-N 451.020 4.311 50 10 JIGE CCN1CC[C@@H]([C@H](Br)c2c(Br)cccc2Br)S1(=O)=O 2094099403 VGAZTHMATVHCAL-JQWIXIFHSA-N 476.028 4.072 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@H](Cl)CC12CCC2 2099392280 NXOJIWZFYXHSFI-SNVBAGLBSA-N 454.533 4.430 50 10 JIGE O=C(N[C@@H]1C[C@H](CBr)[C@H]2C[C@@H]21)c1cc(I)ccc1Br 2110548835 JXTMBRHTQWVJSN-SQFXPHBZSA-N 498.984 4.203 50 10 JIGE BrCCCN1CCN(Cc2ccc(Br)cc2Br)CC1 2113618945 YHQMLSNLCYQECS-UHFFFAOYSA-N 455.032 4.114 50 10 JIGE CCN1CCC[C@H]([C@@H](Br)c2cc(Br)c(Cl)s2)S1(=O)=O 2115926927 DJLYNYHKPIYHLU-ZJUUUORDSA-N 451.633 4.414 50 10 JIGE COc1cc(F)c([C@H](Br)c2cc(I)sn2)cc1OC 2120031982 LHHWGKQNTDFFSL-LBPRGKRZSA-N 458.090 4.388 50 10 JIGE C[C@H]1[C@H](C)N(S(=O)(=O)c2cc(CBr)cs2)C[C@@H](C)N1Cc1ccccc1 2123243194 GTLDGXBNXAJZBQ-PMPSAXMXSA-N 457.459 4.315 50 10 JIGE C#CC[C@](C)(CCl)CNC(=O)c1ccc(I)c(Br)c1 2140709800 REYPSNHNYBIYJW-CQSZACIVSA-N 454.533 4.052 50 10 JIGE O=S(=O)(c1cc(CCl)oc1Br)N1CCN(Cc2ccccc2)C2(CCC2)C1 2153344828 AFRLDDIEXRYZHF-UHFFFAOYSA-N 473.820 4.210 50 10 JIGE CN(C1(C(F)(F)F)CC1)S(=O)(=O)c1cc(CBr)sc1Br 2179793555 VTKNJGKXXYECKA-UHFFFAOYSA-N 457.131 4.121 50 10 JIGE C=CCOc1c(I)cc(C=C(C#N)C(=O)Nc2ccccc2)cc1OC 2313518891 YHEOCEHRTUTIMX-UHFFFAOYSA-N 460.271 4.410 50 10 JIGE CCc1ccccc1OCC(=O)Oc1ccc(C=C(C#N)C(=O)NCc2ccccc2)cc1OC 2314737168 PSVQQOSJACRAFZ-UHFFFAOYSA-N 470.525 4.465 50 10 JIGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(OC)c1 2314777056 KPRUFUHWGKYFGV-UHFFFAOYSA-N 457.870 4.299 50 10 JIGE O=C(C=Cc1ccc(Cl)cc1Cl)NNC(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O 2325889850 ODYLUJGQIFMYLP-UHFFFAOYSA-N 499.379 4.293 50 10 JIGE COC1(C(F)F)CC(CO[C@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)C1 2340632470 AVMHFNDSYGNGOT-VXVMZULRSA-N 489.341 4.268 50 10 JIGE Clc1ccc(I)cc1CN1CCO[C@@H]2C[C@H](Br)C[C@H]21 2352431075 CBWQFCSAAGDCDT-LERXQTSPSA-N 456.549 4.071 50 10 JIGE COCCOCCN(Cc1ccccc1)c1c(CBr)c(C(F)(F)F)nn1C 2365277708 FNFPQNWYXZTLDR-UHFFFAOYSA-N 450.299 4.003 50 10 JIGE COC[C@]1(CBr)C=CCN1C(=O)c1cc(Br)ccc1Br 2379849531 LHBSFLOURVMHPM-CQSZACIVSA-N 467.983 4.004 50 10 JIGE CCN(CC)c1ccc(/C=N/NC(=O)COc2ccc(Br)cc2Cl)c(O)c1 13977844 MFKLMKFKWSUBGO-SSDVNMTOSA-N 454.752 4.183 50 10 JIGE CCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2[C@H](C)CC)cc1 14029705 HZXODAAUSUROBZ-GOSISDBHSA-N 471.623 4.484 50 10 JIGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2)cc1Br 14641148 GWLGYUQPSDSYDH-UHFFFAOYSA-N 478.412 4.358 50 10 JIGE COc1ccc(/C=N/NC(=O)CSc2nc(=O)c3c(-c4ccccc4)c(C)sc3[nH]2)cc1 19646014 KTSIJRFFSLORQM-WYMPLXKRSA-N 464.572 4.211 50 10 JIGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)cc1OC 38658481 IDSXMSNVQZMNJO-QHCPKHFHSA-N 473.441 4.049 50 10 JIGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)cc1 38683523 GESQUEMJPFOWDI-OWJWWREXSA-N 488.471 4.203 50 10 JIGE CC1=C(C(=O)N/N=C/c2ccc(Cl)cc2Cl)[C@H](c2ccc(N(C)C)cc2)NC(=S)N1 59384205 UDANRORWNDOEBA-AZCDICLMSA-N 462.406 4.003 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N[C@H](C)CCCBr)cc1Br 136681728 KKJNCJFGMIHANN-SECBINFHSA-N 478.044 4.362 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1CCC[C@H](CCBr)C1 147720601 KYXXKDNKTHDDPG-SNVBAGLBSA-N 490.055 4.397 50 10 JIGE O=C(O)CNc1ccc(C(=O)[C@H](Br)[C@H](Br)c2ccc([N+](=O)[O-])cc2)cc1 205191791 WDQAAPPZMCNHDO-HZPDHXFCSA-N 486.116 4.174 50 10 JIGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\Nc1ccc(F)c(F)c1F 217254323 SSSWFAXXXLYQOD-NTMALXAHSA-N 457.193 4.475 50 10 JIGE CCOC(=O)c1c(NC(=O)[C@@]23CC[C@@](C)(C(=O)[C@H]2Br)C3(C)C)sc2c1CCN(C)C2 256019048 HXMNCPYAZZQFQW-KBJGYGKASA-N 497.455 4.010 50 10 JIGE FC(F)(F)COC[C@@H](Br)c1cc(I)cc2c1OCC2 381769718 AVYHSEWDBLVVAK-SNVBAGLBSA-N 451.020 4.241 50 10 JIGE O=C(N[C@H](CBr)CC(F)F)c1cc(Cl)ccc1I 717778383 RNEIAEVYUVMSGI-ZETCQYMHSA-N 452.464 4.093 50 10 JIGE CC1(C)C[C@@H](Br)CCN(C(=O)c2cccc(F)c2I)C1 721682593 XKFFFDIAFJXRCV-JTQLQIEISA-N 454.121 4.456 50 10 JIGE CCCOc1c(Br)cc(Br)cc1C=NNC(=O)[C@H]1COc2ccccc2O1 916293202 CQZPNDPLZXWBJS-QGZVFWFLSA-N 498.171 4.291 50 10 JIGE COc1cc(OC)cc(C(=O)Oc2ccc(/C=C(/C#N)C(=O)c3ccc4c(c3)OCO4)cc2OC)c1 917623572 CTZNFOXXZWQLRB-UWVJOHFNSA-N 487.464 4.450 50 10 JIGE CCOC(=O)COc1c(Cl)cc(C=NNC(=O)c2ccccc2Br)cc1OCC 1084049797 HMEOALNXGXYEPJ-UHFFFAOYSA-N 483.746 4.207 50 10 JIGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2c(F)cccc2Cl)Cc2ccccc2)cc1 1084191010 LMRBYMVXGZDTBC-UHFFFAOYSA-N 473.957 4.129 50 10 JIGE CCOC(=O)c1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2OC)CCC3)cc1 1772745839 JSRNZPVSSZIECI-UHFFFAOYSA-N 489.528 4.496 50 10 JIGE O=C(/C=C/c1ccc(Cl)cc1Cl)NNC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O 1860771179 MHXLDTDOKKDQHA-VQHVLOKHSA-N 499.379 4.293 50 10 JIGE O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)N/N=C\c1ccccc1C(F)(F)F 1860773061 OJIGDSLPDHYUMX-BCHBDCPOSA-N 456.449 4.294 50 10 JIGE C/C(=N\NC(=O)c1ccc(-c2ccc(F)c(F)c2)nc1C)c1ccc2c(c1)N(C)C(=O)[C@@H](C)O2 1865763046 QTVXFWFAWLVLQR-SHCJNDJLSA-N 464.472 4.233 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H]2CC[C@]2(CBr)C1 1903892287 XBASEFDUYBIGLL-HZMBPMFUSA-N 498.984 4.301 50 10 JIGE O=C(N[C@H]1C[C@@H]([C@@H](F)CBr)C1)c1cc(Cl)ccc1I 1906433170 DAMWHOUZLVVAKF-NMLBEHRDSA-N 460.512 4.186 50 10 JIGE Cc1c(C(=O)N(Cc2ccccc2)[C@H](CBr)C2CC2)c(Br)nn1C 2014540421 CUNAFLYFIYCKFO-OAHLLOKOSA-N 455.194 4.307 50 10 JIGE COc1ccc(NS(=O)(=O)c2ccc(C(C)=NNC(=O)CNc3ccc(C)cc3C)cc2)cc1 2069667150 VEGQZXCEIKYAMQ-UHFFFAOYSA-N 480.590 4.065 50 10 JIGE C[C@@H](Br)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1I 2086146070 VEQKWLAHQLFUPF-PELKAZGASA-N 486.973 4.442 50 10 JIGE CN(Cc1ccccc1)C1(CNS(=O)(=O)c2ccc(CBr)cc2)CCCC1 2155095994 XZXXVXYFXOSTSA-UHFFFAOYSA-N 451.430 4.305 50 10 JIGE O=C(c1cc(I)ccc1F)N1C[C@H]2[C@H](Br)CCC[C@H]2C1 2169666214 SLKKITHEPLEJOG-ZWKOPEQDSA-N 452.105 4.066 50 10 JIGE CN(C[C@H](Br)C1CCCC1)C(=O)c1cc(I)ccc1F 2169669039 WZGUFJNJQUBWPX-ZDUSSCGKSA-N 454.121 4.456 50 10 JIGE CN(C(=O)c1cc(I)ccc1O)[C@@H]1CCCCC[C@@H]1Br 2172548175 RYXJENMWMATOQR-QWHCGFSZSA-N 452.130 4.165 50 10 JIGE CCOc1ccc(NC(=O)c2cc(I)sn2)cc1CBr 2176535532 VMYMLQIUSSDEHA-UHFFFAOYSA-N 467.126 4.294 50 10 JIGE CN(Cc1nccn1Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(CBr)c1 2179790288 BFWMFUDQNWYDCL-UHFFFAOYSA-N 468.804 4.300 50 10 JIGE Cc1ccc(CBr)cc1S(=O)(=O)N(C)[C@H]1C[C@H](C)N(Cc2ccccc2)C1 2179792058 AKYRCSFDCRYOJR-PXNSSMCTSA-N 451.430 4.173 50 10 JIGE Cc1ccc(CBr)cc1S(=O)(=O)N(C)[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 2179792059 AKYRCSFDCRYOJR-XLIONFOSSA-N 451.430 4.173 50 10 JIGE O=S(=O)(c1cc(CBr)sc1Br)N1CCC[C@@]12CCSC2 2179793763 YOFRDQZIPNWWHS-LBPRGKRZSA-N 461.266 4.066 50 10 JIGE CCOC(=O)O[C@]1(C(=O)OCCl)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@@]21C 2294815212 UJMSHOQZQCLVEP-VXFAOLFMSA-N 464.942 4.125 50 10 JIGE O=C(CNc1ccccc1)NN=Cc1ccc(OC(=O)c2cccc(Br)c2)cc1 2297708958 KWQYPJSFQBXOGU-UHFFFAOYSA-N 452.308 4.231 50 10 JIGE CCCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)CCC)cc1 14033035 FWVBHEYQKSDYNO-UHFFFAOYSA-N 484.622 4.334 50 10 JIGE C/C(=N\NC(=O)c1ccc2c(c1)OCO2)c1ccc(NC(=O)COc2ccc(Cl)cc2)cc1 20159067 KXOHBFVTMMGGPY-JFLMPSFJSA-N 465.893 4.240 50 10 JIGE O=C(NNc1ncnc(NCCc2cccs2)c1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 40659397 MDZDWWNUZRAXIJ-UHFFFAOYSA-N 474.546 4.376 50 10 JIGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccccc2OCc2ccc(C(=O)O)cc2)cc1 58895515 VFSIKHYOTRTZGV-WVVPCBRLSA-N 476.529 4.326 50 10 JIGE O=S1(=O)CC[C@@H](C(CBr)(CBr)Cc2ccc(Br)cc2)C1 118875553 FLXNTBDMMIRMKE-GFCCVEGCSA-N 489.067 4.203 50 10 JIGE CCOc1c(OC)cc(/C=N\NC(=O)c2ccc3[nH]c4c(c3c2)C[C@@H](C)CC4)cc1[N+](=O)[O-] 169891307 VQAPSBKPHMPGER-IDFPFIHXSA-N 450.495 4.372 50 10 JIGE COc1cc(/C=N\NC(=O)c2cccn(Cc3ccccc3Cl)c2=O)ccc1OC(C)C 169920768 HHEABCHQRFKCLG-WGARJPEWSA-N 453.926 4.110 50 10 JIGE CCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc3cc(C(=O)N[C@H](C)CC)c(=O)oc3c2)cc1OC 206543731 GFQNCPATSGXHDF-VXIUPONVSA-N 490.512 4.241 50 10 JIGE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)/C(C#N)=C3/Nc4ccccc4S3)cc2)C1 229823624 IUCWAHAWAPQOON-RSSJUGEYSA-N 453.589 4.489 50 10 JIGE COc1ccc(/C=C\C(=O)Oc2ccc(C=NNC(=O)CNc3c(C)cccc3C)cc2)cc1 254313811 YDKAYODQCFMWOU-GYZRTNJFSA-N 457.530 4.493 50 10 JIGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccccc3C)cc2OC)cc1 254499781 FCNCLKRJSKGPIH-UHFFFAOYSA-N 489.528 4.100 50 10 JIGE COc1ccc(-c2nnc(SCC(=O)NN=C(C)c3ccco3)n2-c2ccccc2)cc1OC 254738322 UGQOOAWCBZKCSZ-UHFFFAOYSA-N 477.546 4.177 50 10 JIGE COc1cc(C(C)=NNC(=O)C(=O)Nc2cc(C)ccc2C)ccc1OC(=O)c1cccs1 263626175 QDVTXTMUYOCVRC-UHFFFAOYSA-N 465.531 4.072 50 10 JIGE O=S(=O)(N[C@@H](CBr)CC(F)F)c1c(Cl)cc(Br)cc1Cl 717751146 SSZMVJMXHCGFTR-ZCFIWIBFSA-N 475.964 4.453 50 10 JIGE COc1cccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)NNC(=O)NC(C)C)c1OC 745139208 BVFARFJQWBRDPF-JQIJEIRASA-N 460.534 4.091 50 10 JIGE C[C@@H]1CCc2ccccc2N1C(=O)COC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1 800724045 IDTLHIVOGRPQRD-AOMYKUFJSA-N 479.540 4.282 50 10 JIGE CCCOc1ccc(C(=O)N2CCN(c3ccc(NC(=O)CCl)cc3Cl)CC2)cc1 953016530 XZPVOEVQWHRIIV-UHFFFAOYSA-N 450.366 4.269 50 10 JIGE CC(=O)c1cc(Br)ccc1OCC(=O)NNc1ccc(C#N)c(C(F)(F)F)c1 1630972478 IRGUQDICFPBJLR-UHFFFAOYSA-N 456.218 4.064 50 10 JIGE CCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1cc(Cl)c(O)c(OC)c1)C(C#N)=C(N)O2 1865707268 SFNWRSDEYZXXDQ-IBGZPJMESA-N 454.889 4.219 50 10 JIGE COc1ccc(-c2nn(CC(C)C)c3c2[C@@H](c2cc(OC)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865714350 ICWANWOLYFZDJO-NRFANRHFSA-N 476.533 4.156 50 10 JIGE C[C@H](CCBr)N(C)S(=O)(=O)c1cc(Br)ccc1Br 1917097114 QJGWRRPBQIIFTG-MRVPVSSYSA-N 464.017 4.006 50 10 JIGE O=C(CBr)c1cc(OC(F)F)c(I)cc1OC(F)(F)F 2060367257 FMBVXKOWIBXETC-UHFFFAOYSA-N 474.945 4.369 50 10 JIGE CCOc1ccc2nc(-c3ccc(NC(=O)NNc4ccc(-n5ccnc5)nn4)cc3)sc2c1 2080460417 WXIBPMVUGMDGLD-UHFFFAOYSA-N 472.534 4.486 50 10 JIGE C[C@@H]1C[C@@H](Br)CCN1C(=O)c1ccc(Br)cc1I 2086154151 RAKHWFONEQNJBA-SCZZXKLOSA-N 486.973 4.442 50 10 JIGE O=C(N[C@@H]1C[C@H](CBr)[C@H]2C[C@H]21)c1cc(Br)cc(Br)c1 2110547626 BUXKASFAYLEXOU-HUXSOILUSA-N 451.984 4.361 50 10 JIGE O=C(NCC1(F)CC(CCl)C1)c1cc(I)ccc1Br 2112251038 MTJLWHVTNQAGQL-UHFFFAOYSA-N 460.512 4.141 50 10 JIGE O=S(=O)(NC[C@@H]1C[C@H]1CBr)c1c(Cl)cc(Br)cc1Cl 2117655079 AAWGMYIONUFLJL-BQBZGAKWSA-N 451.995 4.065 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@@H]2CC(Cl)C[C@H]2C1 2128645793 RRIUQEZTFMHRAJ-IUCAKERBSA-N 454.533 4.143 50 10 JIGE C[C@@H]1CCCN(C(=O)Cc2ccccc2I)[C@@H]1CCBr 2143871994 ATLMSXGLURXTOF-IUODEOHRSA-N 450.158 4.246 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2C[C@@H](Br)CC2(C)C)cc1Br 2154837153 SDJTZWPEBYPWEL-VIFPVBQESA-N 490.055 4.457 50 10 JIGE BrCc1cc(Br)cc(Br)c1OC[C@@H]1C[C@@H]2OCC[C@@H]2O1 2163233497 DHIVTDPKTYIYRY-DRZSPHRISA-N 470.983 4.432 50 10 JIGE O=C(c1cc(Br)cc(Br)c1)N1CCC[C@H](OCCBr)C1 2170213992 PFNXADHMFRCKDO-ZDUSSCGKSA-N 469.999 4.228 50 10 JIGE CN(C(=O)c1cc(I)ccc1F)[C@H](CCBr)C(F)(F)F 2178520710 MJHUIFWPGNOGDL-SNVBAGLBSA-N 468.026 4.218 50 10 JIGE CN1CCC(CO[C@](C)(CI)c2ccccc2Br)CC1 2235926702 XWVCIIAQKWYUND-MRXNPFEDSA-N 452.174 4.458 50 10 JIGE O=C(c1cc(Br)c(Br)s1)N1C[C@@H]2CC[C@H](CBr)O[C@H]2C1 2289203690 JHUUVRKUUFBHMU-XKSSXDPKSA-N 488.039 4.288 50 10 JIGE N#CC(=Cc1cc(Cl)ccc1OCc1c(F)cccc1Cl)c1nn(CCO)c(N)c1C#N 2297326845 LPQNXPHNECHBSN-UHFFFAOYSA-N 472.307 4.418 50 10 JIGE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)C(C#N)=C3Nc4ccccc4S3)cc2)C1 2297476685 IUCWAHAWAPQOON-IYBDPMFKSA-N 453.589 4.489 50 10 JIGE O=C(C=Cc1cccc2ccccc12)NNC(=O)COc1ccc(Cl)cc1Br 2313653036 HHKXMNQOUXZFOC-UHFFFAOYSA-N 459.727 4.495 50 10 JIGE CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)NNC(=O)C(c1ccccc1)c1ccccc1 2313681324 BMWWVTDQEJCCBJ-UHFFFAOYSA-N 469.501 4.044 50 10 JIGE COc1cc(C=NNC(=O)CSc2nc(O)c3c(-c4ccc(C)cc4)csc3n2)ccc1O 2320488214 AMVUWEKWGNTXQL-UHFFFAOYSA-N 480.571 4.329 50 10 JIGE COc1cccc(C=NNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)c1OCc1cccc(C)c1 2328829526 ZSEQQGWYLRNIHL-NRFANRHFSA-N 467.566 4.432 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1C[C@H]2CC[C@H]1C[C@@H]2Br 2337154971 GOAWKEQNSCCZDN-VWYCJHECSA-N 454.533 4.333 50 10 JIGE O=C(N[C@H]1C[C@@H](CBr)C12CCC2)c1ccc(F)cc1I 2379718928 KLHGQYRGRBDOAG-ZANVPECISA-N 452.105 4.114 50 10 JIGE CCC(C)(C)c1ccc(OCC(=O)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 8905748 OBEGDTHDIZWIAZ-UHFFFAOYSA-N 459.546 4.467 50 10 JIGE CCOC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccccc2CC)=C(C#N)[C@@H]1c1ccccc1Cl 9980867 NDZKQRONBNXMPU-FCHUYYIVSA-N 498.004 4.402 50 10 JIGE CC[C@@H](C)Oc1cccc(C(=O)NNC(=O)COc2ccc(Br)cc2Cl)c1 10662784 YNUDNVAOGKZQRQ-GFCCVEGCSA-N 455.736 4.120 50 10 JIGE Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=O)c1ccc(OCCc2ccccc2)cc1 14041581 JSBOSHPLRFYXPM-UHFFFAOYSA-N 479.964 4.450 50 10 JIGE CC(C)COc1ccc(Br)cc1C(=O)NNC(=O)CCC(=O)Nc1ccccc1Cl 14666971 LFKIBOADZCXSCJ-UHFFFAOYSA-N 496.789 4.317 50 10 JIGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)c1 38701190 XMAHMJOJIMKLRL-DQEYMECFSA-N 470.481 4.049 50 10 JIGE Cc1cccc(NC(=S)NNC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccc(Cl)cc2)c1C 72115593 AQJKMCGUHOTGEY-QFIPXVFZSA-N 481.021 4.316 50 10 JIGE CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c(C)c2)C1=O 101332481 OCBAGIZHNPAAGN-HYARGMPZSA-N 452.514 4.469 50 10 JIGE COc1cc(C)ccc1C(=O)NN=Cc1cn(S(=O)(=O)c2ccc(C)cc2)c2ccccc12 254701912 JWIIUCQJNSKWNY-UHFFFAOYSA-N 461.543 4.268 50 10 JIGE CCn1c(SCC(=O)NN=Cc2ccc(O)c(OC)c2)nnc1-c1ccc(C(C)(C)C)cc1 263625688 CZFBULBQDWZMON-UHFFFAOYSA-N 467.595 4.219 50 10 JIGE CC[C@@H]1[C@H](CBr)CCN1S(=O)(=O)c1cc(Br)ccc1Br 385967667 ZTSWBHZHEMZDMN-JOYOIKCWSA-N 490.055 4.396 50 10 JIGE N#CCCn1cc(/C=C(/C#N)C(=O)OCC(=O)NCC2CCCCC2)c(-c2ccc(Cl)cc2)n1 782092622 ICXNMFMFRRSNFZ-MOSHPQCFSA-N 479.968 4.264 50 10 JIGE C=CCn1c(CCc2ccccc2)nnc1SCC(=O)NN=Cc1ccc(Br)cc1 1084130550 XTAFXVMJYQGQFO-UHFFFAOYSA-N 484.423 4.254 50 10 JIGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(C)n(-c3cccc(C(=O)O)c3)c2C)cc1 1084414355 YFAUXQXCPBTCRG-DEOSSOPVSA-N 463.534 4.155 50 10 JIGE COc1cc(C=NNC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc(Br)c1O 1772755997 JFXNVJMLIZIKHS-GFCCVEGCSA-N 455.736 4.351 50 10 JIGE CCN(CC)Cc1ccc(/C=N/NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 1860773925 KAZVVTGWSJFBAI-APICWZDASA-N 479.650 4.136 50 10 JIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC(C)C)cc(OC)c1OC 1865692299 KZMUGHPIXSLLGE-OAQYLSRUSA-N 460.534 4.450 50 10 JIGE CC[C@@H](NC(=O)CCc1csc(-c2ccccn2)n1)C(=O)Nc1ccc(SC#N)cc1 1867058522 ZMACJRGRYYGNQB-GOSISDBHSA-N 451.577 4.244 50 10 JIGE O=C(NC[C@]1(CBr)C[C@@H]1C(F)(F)F)c1sccc1I 1877498500 ZVJAACBRQIVFMH-OIBJUYFYSA-N 468.076 4.046 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@H](C2CC2)[C@@H](Br)C1 2090685504 PMEGCEDTJCIUDM-NEPJUHHUSA-N 498.984 4.299 50 10 JIGE O=C(NC[C@@H]1CC12CCC(Br)CC2)c1csc(I)c1 2101289318 SHWWAAKYOWHJAS-IFQILLTASA-N 454.171 4.426 50 10 JIGE O=S(=O)(c1csc(CBr)c1)N1CC[C@H]2CC[C@@H](C1)N2Cc1ccccc1 2123225214 MHOOAFNWMHGEGE-SJORKVTESA-N 455.443 4.071 50 10 JIGE CC(C)[C@H]1[C@@H](Br)CCN1S(=O)(=O)c1cc(Cl)c(Br)s1 2126093403 NIPDMBFVXOKEJX-XVKPBYJWSA-N 451.633 4.347 50 10 JIGE C[C@@]1(CBr)C=CCN1C(=O)c1ccc(Br)cc1I 2221470210 KOGPRWBRWVVDBR-ZDUSSCGKSA-N 484.957 4.219 50 10 JIGE BrC[C@]12CCO[C@H]1CN(Cc1ccc(Br)cc1Br)C2 2278943572 CJRGBBYNVQIZNR-KBPBESRZSA-N 454.000 4.197 50 10 JIGE COC(=O)c1ccc(C(=O)OC)c(NC=C(C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c1 2295945890 QDSHYFLHEYFBFJ-UHFFFAOYSA-N 464.459 4.268 50 10 JIGE COc1ccc(C[C@H]2SC(=C(C#N)C(=O)NCc3ccco3)N(c3ccccc3)C2=O)cc1 2296834824 HPDIOSJTTAZCTI-JOCHJYFZSA-N 459.527 4.031 50 10 JIGE O=S1(=O)CCCC[C@H]1[C@@H](Br)c1sc(Cl)cc1I 2301082983 DRDQNAYUPQEBBW-IONNQARKSA-N 469.591 4.409 50 10 JIGE CC1(C)OCCN(Cc2ccc(Cl)c(I)c2)[C@@H]1CBr 2337221179 LTAXKFRLNYJCQF-CYBMUJFWSA-N 458.565 4.319 50 10 JIGE CN([C@@H]1CCCCC[C@@H]1Br)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364205950 OYZGBLJCNFQKNO-VQTJNVASSA-N 499.471 4.201 50 10 JIGE COc1ccccc1/C=C/C=N/NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1 2705573 ZJLHBACHQXDOFI-JWBNACTCSA-N 470.554 4.302 50 10 JIGE Cc1nc(Nc2ncnc(NNC(=O)COc3ccc(Cl)cc3Cl)c2[N+](=O)[O-])sc1C 40650020 FKRMMGVRMROMKE-UHFFFAOYSA-N 484.325 4.031 50 10 JIGE CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OC)c([N+](=O)[O-])c2)cc1 96840491 FBBSLEDORVZQNS-MDWZMJQESA-N 493.257 4.152 50 10 JIGE CN(CC1CC(Br)C1)S(=O)(=O)c1cc(Br)ccc1Br 126110908 RQESOJHEDKWCOO-UHFFFAOYSA-N 476.028 4.006 50 10 JIGE O=S(=O)(NC[C@@H]1CCCC[C@@H]1Br)c1cc(Br)ccc1Br 136978507 MVZQEHONVOGNGH-ONGXEEELSA-N 490.055 4.444 50 10 JIGE COc1ccc([C@H](C)N/C=C(/C#N)C(=O)Nc2ccc(I)cc2C)cc1OC 217253825 JKSPRBUEERIVCG-QXPQOBGOSA-N 491.329 4.314 50 10 JIGE C=CCn1c(CNc2ccccc2)nnc1S[C@H](C)C(=O)NN=Cc1ccc(Cl)cc1 252602733 FKEUYNBLXPXOKF-MRXNPFEDSA-N 454.987 4.361 50 10 JIGE Cn1c(SCC(=O)NN=Cc2c(O)ccc3ccccc23)nnc1-c1ccccc1Br 254449264 OAMSYQVCWBYJAD-UHFFFAOYSA-N 496.390 4.346 50 10 JIGE Cc1cccc(C(=O)Oc2ccc(C=NNC(=O)CNC(=O)c3cccc4ccccc34)cc2)c1 254839912 PKLHUOVNAUKQEN-UHFFFAOYSA-N 465.509 4.248 50 10 JIGE O=C(NNc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1csc(Br)c1 728217657 KURVNMZNUAESLZ-UHFFFAOYSA-N 452.355 4.068 50 10 JIGE CCn1c(C)cc(C(=O)COC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)c1C 761380492 AGJHXJKDWOVDTJ-STZFKDTASA-N 455.518 4.235 50 10 JIGE CCOc1cc(C=NNC(=O)c2ccc(NC(C)=O)cc2)ccc1OC(=O)/C=C\c1ccccc1 1084018178 JCXIYZGOVWFODB-LSKRWQLQSA-N 471.513 4.426 50 10 JIGE COc1ccc(COC(=O)NN=Cc2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)cc1 1084193173 SMGZQLVFSRPYAY-UHFFFAOYSA-N 454.504 4.032 50 10 JIGE CC(=O)N1CCc2cc(NC(=O)NNC(=O)c3cc4c(s3)CC[C@H](C(C)(C)C)C4)ccc21 1667033902 FCHDXYFKMIPDPS-KRWDZBQOSA-N 454.596 4.275 50 10 JIGE O=C(Cn1c(O)nc2ccccc2c1=O)N/N=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12 1873792709 NEAQJCMCVSIZQA-FJEPWZHXSA-N 496.498 4.124 50 10 JIGE C=CC[C@H](CBr)NS(=O)(=O)c1cc(Br)c(C)cc1Br 1885074233 VWRBLWNRUASUQC-SECBINFHSA-N 476.028 4.138 50 10 JIGE O=C(c1csc(Br)c1Br)N1C[C@H](Br)[C@@H](Br)C1 1990922208 MXNFRLGRNRIEGO-WDSKDSINSA-N 496.844 4.256 50 10 JIGE C[C@](CBr)(NC(=O)c1csc(Br)c1Br)C(F)F 1998358416 XSKKLRVYBHWLRY-SECBINFHSA-N 455.944 4.422 50 10 JIGE CN(C)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)c(CBr)c1 2059389274 ZEYMRZWEKKKXRX-UHFFFAOYSA-N 490.261 4.097 50 10 JIGE O=C(Cl)c1ccc(I)c(Br)c1I 2059980403 OPAWSKJXPFMAKT-UHFFFAOYSA-N 471.257 4.037 50 10 JIGE O=C(Cl)c1cc(I)c(I)c(OC(F)(F)F)c1 2060019591 UZKKVEMYPMWDEU-UHFFFAOYSA-N 476.357 4.173 50 10 JIGE C[C@H]1[C@H](CBr)CCN1C(=O)c1ccc(Br)cc1I 2086149161 KHOKNHBIINZSSK-IUCAKERBSA-N 486.973 4.299 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@@H]2C[C@H](C[C@H]2Cl)C1 2107289290 IEVKFOKGCPLWJN-VDDIYKPWSA-N 454.533 4.143 50 10 JIGE CN(Cc1ccccc1)[C@H]1CCN(S(=O)(=O)c2ccc(CBr)c(Cl)c2)C1 2123205936 PEYUKGYRPRXMRC-KRWDZBQOSA-N 457.821 4.130 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@H](Cl)[C@H](C2CC2)C1 2142279440 QDVNLSCXDKMXFY-RYUDHWBXSA-N 454.533 4.143 50 10 JIGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CC[C@@H](CBr)C(F)(F)C1 2146375292 LHUSYRCBZYLSIF-LURJTMIESA-N 473.586 4.205 50 10 JIGE FC(F)(F)c1cnc(N2CC[C@H](Br)[C@@H]3CC[C@@H]32)c(I)c1 2190263619 LGHLYBVPHIDUKD-QXEWZRGKSA-N 461.063 4.457 50 10 JIGE C[C@H](Br)COCc1cn(-c2cc(Br)ccc2Br)nn1 2278381429 YELXHSBTMHHOOF-QMMMGPOBSA-N 453.960 4.092 50 10 JIGE CCOC(=O)C(C#N)=Cc1cc(I)c(OCc2ccc(F)cc2)c(OC)c1 2293131202 ASYALRIJOVHJEA-UHFFFAOYSA-N 481.261 4.488 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@@H]2C[C@@H](CBr)[C@@H]2C1 2295311290 IWKPZUPUOZLXPD-MJVIPROJSA-N 466.011 4.244 50 10 JIGE O=S(=O)(Cc1ccsc1Br)N[C@@H](CCBr)COCc1ccccc1 2303589596 GFPLPJJLPHALMT-HNNXBMFYSA-N 497.274 4.300 50 10 JIGE COc1ccc(CCO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2Br)c(Br)c1 2317132084 IVNVDIHDRTTZEB-HZPDHXFCSA-N 479.209 4.400 50 10 JIGE O=C(c1ccc(Br)cc1Br)N1C[C@H]2C[C@H](CBr)[C@H]2C1 2330496594 SPJGQVRJRORNHB-KBVBSXBZSA-N 451.984 4.315 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1CC[C@H]2C[C@]1(CBr)C2 2336571054 BPDWWOUMMSBNLM-DEZZCRIOSA-N 454.533 4.334 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1C[C@H](CBr)C2(CC2)C1 2340057462 MKZUJAQUHCLYDT-VIFPVBQESA-N 454.533 4.192 50 10 JIGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)c1 12488085 GSZFTDUVEROGEK-UHFFFAOYSA-N 466.365 4.370 50 10 JIGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)Cc1cccc2ccccc12 13976972 JDJMSCBRVZVWRI-ZDUSSCGKSA-N 476.385 4.179 50 10 JIGE Cc1csc(Sc2ccc(C(=O)NNC(=O)c3cn(C)c4ccccc34)cc2[N+](=O)[O-])n1 15092962 RPOWFGJJENDHKP-UHFFFAOYSA-N 467.532 4.077 50 10 JIGE Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NCCc2ccccc2)c1 35549705 PKZAMBMGRMDPPU-HEHNFIMWSA-N 450.498 4.061 50 10 JIGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)/C=C/c1ccc(Cl)cc1Cl 41012354 CQDWIDRBZWFDGW-ZTKKEOLVSA-N 487.339 4.387 50 10 JIGE CCOC(=O)COc1c(Cl)cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc1Br 58889309 TXJBAPBLZBJIGZ-SSVUZXLWSA-N 497.773 4.008 50 10 JIGE COc1cc([N+](=O)[O-])ccc1-n1nc(C)c(/C=N/NC(=O)CSCc2ccc(Cl)cc2)c1C 59146870 QYCZBIVSRJGSCC-BHGWPJFGSA-N 487.969 4.443 50 10 JIGE Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)c3nc4ccccc4s3)cc2)cc1 59148044 MPKYZKYFXZMZJH-OEAKJJBVSA-N 451.529 4.136 50 10 JIGE COc1cc2ccccc2cc1C(=O)N/N=C1/C(=O)N(Cc2cccc([N+](=O)[O-])c2)c2ccccc21 59158649 NVWMVGJOQJGKQI-AZPGRJICSA-N 480.480 4.438 50 10 JIGE CCOC(=O)c1ccccc1NC(=O)/C(C#N)=C\Nc1ccc(I)cc1C 217155217 FAZPNTGMPRWIGX-OWBHPGMISA-N 475.286 4.234 50 10 JIGE O=C(NCCCCCBr)c1cc(I)ccc1Br 232475440 FUADHAXEDDXNEO-UHFFFAOYSA-N 474.962 4.349 50 10 JIGE CCc1ccc(OCC(=O)NN=Cc2ccc(OC(=O)c3ccc(OC)cc3)c(OC)c2)cc1 254763746 HTSQLJIHFKXDEC-UHFFFAOYSA-N 462.502 4.015 50 10 JIGE COc1ccc([C@@H](Br)c2cnn(C)c2Br)c(OC)c1Br 381792507 NUVUMKKJBBKRMQ-SNVBAGLBSA-N 468.971 4.447 50 10 JIGE CC1(C)CN(S(=O)(=O)c2cc(Br)ccc2Br)C[C@H]1Br 387872762 KPEJFDKAETVZLI-LLVKDONJSA-N 476.028 4.006 50 10 JIGE O=C(Cl)c1c(I)ccc(I)c1Br 575685195 CMWUTWCGWZSESC-UHFFFAOYSA-N 471.257 4.037 50 10 JIGE C[C@H](Br)CN(C1CC1)S(=O)(=O)c1cc(Br)ccc1Br 691351432 WUBHDRDQICWUGJ-QMMMGPOBSA-N 476.028 4.148 50 10 JIGE C[C@H](Br)[C@H]1CCN(C(=O)c2cc(Br)ccc2I)C1 719920203 VHPNWXDTYRYEKQ-IUCAKERBSA-N 486.973 4.299 50 10 JIGE CC(C)(C)c1csc(CNC(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)n1 729622748 YMBWNHXTGDKQGF-UHFFFAOYSA-N 456.543 4.303 50 10 JIGE C[C@H](NC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1)c1ccc(N2CCOCC2)cc1 920886303 GRWSAYUXNPGZSC-PESPDQJRSA-N 480.572 4.085 50 10 JIGE CCC(=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(=O)C[C@]21C 1073270403 VAUBWHIQMRKGBN-RQHIXNSYSA-N 464.961 4.311 50 10 JIGE CCCCC(C)=NNC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 1083994041 FMLAQCILLBAIFY-UHFFFAOYSA-N 450.004 4.256 50 10 JIGE COc1cc(C=NNC(=O)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1ccc(F)cc1 1084494254 GCEPVOOZSDDFDG-UHFFFAOYSA-N 469.900 4.464 50 10 JIGE CCOc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CI)cc1OC 1614615490 DGXWUKFVPGDQSC-GJZGRUSLSA-N 461.340 4.479 50 10 JIGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(OC)c1)C(C#N)=C(N)O2 1865705658 BEDGFMCMWKYLTE-NRFANRHFSA-N 450.926 4.470 50 10 JIGE CCc1nn(C)c(CN(C)C[C@@H](Br)COCc2ccccc2)c1Br 1916366484 JUAKWUPFAFSZOR-OAHLLOKOSA-N 459.226 4.157 50 10 JIGE O=C(CBr)c1ccc(I)c(OC(F)F)c1OC(F)(F)F 2060367732 YDDLBSRCUDAKST-UHFFFAOYSA-N 474.945 4.369 50 10 JIGE O=S(=O)(NCC[C@H](Br)C1CC1)c1cc(Br)ccc1Br 2090455992 XDXYQYVRCIABMP-JTQLQIEISA-N 476.028 4.054 50 10 JIGE C[P@@]1(=O)C[C@H](NC(=O)c2cc(Br)cc(Br)c2)[C@@H](Br)C1 2121336573 HNXGHKBDUITWNY-ADWYPQAOSA-N 473.927 4.080 50 10 JIGE BrC[C@@H]1CO[C@H]2CN(Cc3c(Br)cccc3Br)C[C@@H]12 2121594685 URCMZECVNJKADT-BFVZDQMLSA-N 454.000 4.053 50 10 JIGE CN(C)C[C@@H]1C[C@H](Br)CN1Cc1cc(Br)ccc1Br 2122380454 KIVXDDZSQVLPJC-STQMWFEESA-N 455.032 4.111 50 10 JIGE C[C@H]1CN(Cc2cc(Cl)ccc2I)C[C@H](CCBr)O1 2122788212 HAEFMSRWFOCMBG-GWCFXTLKSA-N 458.565 4.319 50 10 JIGE Cc1nc(C)n(CCOC2(CI)CCN(C(=O)OC(C)(C)C)CC2)c1C 2128024374 YCFOZEJHCQQIEE-UHFFFAOYSA-N 477.387 4.030 50 10 JIGE O=S(=O)(NC[C@@H]1CCCC2(CCC2)[C@@H]1Br)[C@H]1C[C@H](OCc2ccccc2)C1 2161299045 WJEBUBHAIDNYAJ-LWYYNNOASA-N 456.446 4.388 50 10 JIGE Cc1c(F)cc(CBr)cc1S(=O)(=O)N1CC[C@H](COCc2ccccc2)C1 2179858733 SJHZPKQNPAWGEM-KRWDZBQOSA-N 456.377 4.256 50 10 JIGE Cc1cc(CBr)cc(S(=O)(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)c1C 2179862455 WOZIJSHKLRHNOQ-FQEVSTJZSA-N 451.430 4.093 50 10 JIGE O=S(=O)(c1ccc(CBr)s1)N1[C@H]2CCC[C@@H]1CN(Cc1ccccc1)C2 2226320661 YLRHYYCKTZQAEQ-CALCHBBNSA-N 455.443 4.071 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1C[C@H](C2CC2)[C@@H](Br)C1 2268349321 XDVIETPWWZWXHC-MNOVXSKESA-N 454.533 4.190 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)NC[C@@H]1CC[C@@H](Br)C1 2277931649 HUQNCSFQQWXRGM-MWLCHTKSSA-N 454.000 4.434 50 10 JIGE O=S1(=O)CCC[C@H]([C@H](Br)Cc2cc(Br)cc(Br)c2)C1 2277963363 UBPNZIUTXLMLPF-GXFFZTMASA-N 475.040 4.342 50 10 JIGE CCc1ccc(C[C@@H]2SC(=C(C#N)C(=O)NC)N(c3ccc(Br)cc3)C2=O)cc1 2296500293 BIQQWYJGESHKBV-IBGZPJMESA-N 470.392 4.184 50 10 JIGE O=C(N[C@H](CCCl)COCc1ccccc1)c1c(F)cccc1I 2303699188 IXBPCNHGRPDZFJ-CQSZACIVSA-N 461.702 4.374 50 10 JIGE CCOC(=O)c1sc(NC(=O)C(C#N)=Cc2ccc(OCC)cc2)c(C(=O)OCC)c1C 2314734483 BEKUDLUDJQSFJN-UHFFFAOYSA-N 456.520 4.354 50 10 JIGE CN(CC1CC(Br)C1)[C@H](CN)c1sc(Cl)cc1I 2318475463 YOIMIWPBDDSSRE-SFVIPPHHSA-N 463.610 4.111 50 10 JIGE COc1ncc(Br)c(C)c1CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Br 2319603515 QUQSLMYBFADJBI-ZIAGYGMSSA-N 480.197 4.061 50 10 JIGE O=S(=O)(N[C@@H](CCBr)COCc1ccccc1)c1ccc(Br)cc1F 2320405793 FUUJITBHRCJPSG-HNNXBMFYSA-N 495.208 4.237 50 10 JIGE O=C(N[C@H]1C[C@@H](CBr)[C@H]2C[C@@H]12)c1cc(Br)cc(Br)c1 2329877320 BUXKASFAYLEXOU-KKBFJBPOSA-N 451.984 4.361 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1[C@H]2CC[C@H](C2)[C@H]1CBr 2340055752 AVDJDBKKKQNXKU-DFAYQTQMSA-N 454.533 4.333 50 10 JIGE C[C@@H]1CN(C(=O)c2ccc(Cl)cc2I)C[C@]1(C)CBr 2340062394 ZBLXAQHWJSEBIJ-OTYXRUKQSA-N 456.549 4.438 50 10 JIGE BrCc1cc(Br)c(OC[C@H]2C[C@@H]3OCC[C@@H]3O2)c(Br)c1 2354621399 KRWSTZMJLIUJSO-ICCXJUOJSA-N 470.983 4.432 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)NCCSCCCCl)cc1Br 2360795891 ZSKXUGHLNSQVDG-UHFFFAOYSA-N 465.660 4.160 50 10 JIGE O=C(CSc1nc2ncccn2n1)N(/N=C/c1ccccc1)c1cccc(C(F)(F)F)c1 10074732 FBKQGYZQCWRJBY-LGJNPRDNSA-N 456.453 4.303 50 10 JIGE O=C(CCC(=O)Nc1ccccc1Cl)NNC(=S)NC(=O)c1sc2ccccc2c1Cl 12502530 VLZMOKCNLLNRRW-UHFFFAOYSA-N 495.413 4.263 50 10 JIGE Cc1ccc(C(=O)NNC(=S)NC(=O)C(c2ccccc2)c2ccccc2)cc1Br 12502757 AFEJQRHMLNWGSJ-UHFFFAOYSA-N 482.403 4.225 50 10 JIGE COc1ccc(C(=O)N/N=C/c2cc(Br)c(OC)cc2OC)cc1Br 12579560 PEHWMYQTDWNQBA-AWQFTUOYSA-N 472.133 4.001 50 10 JIGE Cc1ccc(NC(=O)CCC(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Br)cc1C 14644356 NAMOZDJPXRWZPQ-AWEZNQCLSA-N 496.789 4.053 50 10 JIGE CC(C)CCOc1cccc(C(=O)NNC(=O)COc2ccc(Cl)cc2Br)c1 14644639 QLMGTXAVFNUSOJ-UHFFFAOYSA-N 469.763 4.367 50 10 JIGE CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc(C)cc(Cn2ccc(C(F)(F)F)n2)c1C 20069291 YTPPHJKHYSJOAH-HXUWFJFHSA-N 460.456 4.212 50 10 JIGE O=C(NNC(=O)c1cccnc1-c1nc2ccccc2s1)c1ccccc1Br 39881385 KMUDAPXRCWIUEH-UHFFFAOYSA-N 453.321 4.196 50 10 JIGE CCOc1c(Cl)cc(/C=N\NC(=O)c2cccn(Cc3cccc(C)c3)c2=O)cc1OC 169918149 RBAZENWOJQLLMI-WGARJPEWSA-N 453.926 4.030 50 10 JIGE COCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)CCCOc2ccc(C(C)(C)C)cc2)c(OC)c1 206489102 FVWMZNPVKVJLNS-FXBPSFAMSA-N 494.588 4.427 50 10 JIGE CN(/C=C(/C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1 216495176 JVFPZZAAMNJCDL-VYIQYICTSA-N 450.586 4.460 50 10 JIGE Cc1nn(-c2ccccc2)c(N2CCCCC2)c1/C=N/NC(=O)c1ccc(N2CCCC2=O)cc1 253560028 AHFGHHGJUJMJNU-TURZUDJPSA-N 470.577 4.062 50 10 JIGE Cc1cccc(OCC(=O)NN=C2C(=O)N(CCCOc3ccccc3C)c3ccccc32)c1 254501225 PGSSOACQLVQISZ-UHFFFAOYSA-N 457.530 4.018 50 10 JIGE CCOC(=O)[C@H]1CCCN(C(=O)Nc2cccc(C(=O)Nc3ccc(SC#N)cc3)c2)C1 586668838 VCVKQDRPMINLNC-KRWDZBQOSA-N 452.536 4.319 50 10 JIGE Cc1cc(/C=C(/C#N)C(=O)NC2CCN(C(=O)CC(F)(F)F)CC2)c(C)n1CCC(C)C 726948901 RNLPGUMAJZDSTB-UNOMPAQXSA-N 452.521 4.118 50 10 JIGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)NC[C@@H]2CCCC[C@H]2C(C)(C)C)cc1 920850205 CWQITFAHRUDOON-UIWAOFLYSA-N 491.636 4.310 50 10 JIGE O=C(NN=C1C(=O)N(CCc2ccccc2)c2ccc(Br)cc21)c1cccc(F)c1 1083930890 ZVKAVQOOCSJONQ-UHFFFAOYSA-N 466.310 4.312 50 10 JIGE O=C(COc1ccc(C=NNC(=O)c2ccc(Cl)cc2Cl)cc1)NCCc1ccccc1 1084413487 IUZDADSOHVGYLJ-UHFFFAOYSA-N 470.356 4.495 50 10 JIGE C=CCC[C@@H](NC(=O)NNC(=O)c1nnc(O)c2ccccc12)c1ccc(C(F)(F)F)cc1 1685817218 JQRLGNDSUKFUES-QGZVFWFLSA-N 459.428 4.006 50 10 JIGE Cc1cccc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)Nc3ccc(SC#N)cc3)cc2)c1 1858990113 YIPDWOFKCPPBJA-UHFFFAOYSA-N 494.598 4.051 50 10 JIGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@H]2c1cc(OC)c(OC)cc1OC 1865711612 CPPSYUCRMQJHGQ-JOCHJYFZSA-N 476.533 4.213 50 10 JIGE CCc1ccc(-c2ccc(C(=O)NNC(=O)c3ccccc3S(=O)(=O)CC(C)C)c(C)n2)cc1 1865758881 WPXVBVAUQHRNFX-UHFFFAOYSA-N 479.602 4.124 50 10 JIGE Cc1nc(-c2ccc(F)cc2F)ccc1C(=O)NNC(=O)c1ccccc1I 1865759470 BWRRPIQWWPIBQI-UHFFFAOYSA-N 493.251 4.015 50 10 JIGE CC(C)(C)OC(=O)N[C@H](CBr)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@]2(CCCO2)C1 1885097761 UBWRXBKCPFPQMY-STXHMFSFSA-N 463.413 4.081 50 10 JIGE CN(CC1CC(Br)C1)[C@@H](CN)c1cc(Br)cc(Br)c1 1887879951 QIMQKZIGISPAOW-IUVQJJGASA-N 455.032 4.317 50 10 JIGE O=C(N[C@@H](CCCl)C(F)(F)F)c1ccc(I)c(Br)c1 1918539455 WQIAKZUWPINNIT-VIFPVBQESA-N 470.454 4.343 50 10 JIGE CC[C@H](CBr)CNC(=O)c1cc(I)ccc1Br 1948707266 VSMMKUKLZONQAE-MRVPVSSYSA-N 474.962 4.205 50 10 JIGE C[C@@H](Br)CCc1cn(-c2cc(I)ccc2Br)nn1 2068990082 AFNGDEMPVIFETO-MRVPVSSYSA-N 484.961 4.350 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1CCC12CC(CBr)C2 2104560719 PKZBXEYGTADLCA-UHFFFAOYSA-N 454.533 4.334 50 10 JIGE O=C(c1ccccc1I)N(CCBr)Cc1cccs1 2114641169 QYTNQYSNUSZILA-UHFFFAOYSA-N 450.139 4.390 50 10 JIGE C[C@H](CCl)CS(=O)(=O)N(CCCNC(=O)OC(C)(C)C)c1cccc(Br)c1 2163051077 PPBGLRUJJTVLPQ-CQSZACIVSA-N 483.856 4.375 50 10 JIGE Cc1oc(CBr)cc1S(=O)(=O)N1CCCC[C@H](N(C)Cc2ccccc2)C1 2179820176 VCNNAVGTKPOHPL-SFHVURJKSA-N 455.418 4.158 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@H]2C[C@H](Br)C[C@H]2C1 2185078534 BLVGUAAMKMQFNS-JZYVYDRUSA-N 488.039 4.006 50 10 JIGE CC1(C)CN(S(=O)(=O)C2CCC(CBr)CC2)CCCN1Cc1ccccc1 2193726692 SGDUKMZVIUSBCN-UHFFFAOYSA-N 457.478 4.256 50 10 JIGE Cc1ccc(I)c(C(=O)N2CCC([C@H](F)CBr)CC2)c1 2240916122 UDSMXCSODAFMDD-CYBMUJFWSA-N 454.121 4.185 50 10 JIGE CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@H]1C[C@@H]1Br 2241636736 GPSFCSPCUQORCG-VLIAUNLRSA-N 457.368 4.203 50 10 JIGE O=C(c1c(F)cccc1I)N1[C@@H](CBr)CCC12CCC2 2282765618 JAZFNDQEOQYLSW-SNVBAGLBSA-N 452.105 4.353 50 10 JIGE COc1ccc(C(=O)N(C)C[C@@H](Br)COCc2ccccc2)c(Cl)c1OC 2283571120 UGJYOQQOHLWXSO-OAHLLOKOSA-N 456.764 4.410 50 10 JIGE COc1cccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(C)cc3)nc3ccccn3c2=O)c1 2296720356 WCMHGISCNRHGPM-UHFFFAOYSA-N 452.470 4.350 50 10 JIGE CN(C)c1ccc(C=NNC(=O)C(=Cc2cccs2)NC(=O)c2ccccc2Cl)cc1 2297450800 IGAYSYHWKZFYHG-UHFFFAOYSA-N 452.967 4.389 50 10 JIGE C=CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)C(C)=C(C#N)C1=O 2314617420 XZAVLVWCJPZQPP-UHFFFAOYSA-N 478.508 4.089 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OCC2C[C@H]3[C@H](C2)C3(F)F)C1 2320757044 JXQVRHOFHVVGDB-GRDNDAEWSA-N 471.326 4.499 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1[C@H]2CC[C@@H]1C[C@H]2CBr 2340053091 WLRJXWNUWUOCPY-PLMOITTCSA-N 454.533 4.333 50 10 JIGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@@H]1[C@H]2CS(=O)(=O)C[C@H]21 2365191251 MKWAXTIBYKLRSR-GJOTXNKNSA-N 491.014 4.386 50 10 JIGE Cc1cc(NC(=O)CCCBr)n(-c2ncnc3c2cnn3-c2cccc(Cl)c2)n1 9845503 XEBNRYCGBWIDQU-UHFFFAOYSA-N 474.750 4.077 50 10 JIGE CC[C@H](Oc1ccc(C)cc1)C(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 14013979 FOZQYPRYDICTBA-IBGZPJMESA-N 477.399 4.439 50 10 JIGE CCn1c(-c2ccc(C(=O)NNC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)s2)nc2ccccc21 35554033 LMUGTCDDMXCBMS-UHFFFAOYSA-N 469.910 4.421 50 10 JIGE CCOC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1I 59335305 BDKIVVKAKDXRSM-YBEGLDIGSA-N 490.297 4.087 50 10 JIGE N#C/C(=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)C(=O)N1CCN(c2ccccc2)CC1 59676579 USJMGLWICNNOFE-PTGBLXJZSA-N 468.513 4.430 50 10 JIGE CC(C)[C@H](CBr)COc1c(I)cc(C#N)cc1[N+](=O)[O-] 96871143 SYAZRPNEHQQKHA-SNVBAGLBSA-N 453.074 4.117 50 10 JIGE O=S(=O)(N[C@H]1CCC[C@H]1Br)c1c(Cl)cc(Br)cc1Cl 122347653 PBCNKZXYKBLUNO-XCBNKYQSSA-N 451.995 4.350 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N[C@@H]2CCC[C@@H]2CBr)cc1Br 231619486 AOVVBCOUZPFADF-BXKDBHETSA-N 490.055 4.362 50 10 JIGE COc1ccc(OC)c(C=NNC(=O)CSc2nc(-c3ccccc3)nc3c2CCCC3)c1 254705079 NFTWOLGTZKKZAK-UHFFFAOYSA-N 462.575 4.282 50 10 JIGE CC(=NNC(=O)c1nnn(-c2nonc2N)c1-c1cccs1)c1ccc(C2CCCCC2)cc1 254746042 SSJQGFQHBLVHDS-UHFFFAOYSA-N 476.566 4.163 50 10 JIGE COc1ccc(C=NNC(=O)c2ccc(CN3c4cccc5cccc(c45)S3(=O)=O)cc2)cc1O 254766409 SYMLESUERNSWSM-UHFFFAOYSA-N 487.537 4.027 50 10 JIGE BrCC(CBr)(CO[C@@H]1CCOC1)c1ccc(Br)cc1 311579708 CJZYHVDUNWXPTC-CYBMUJFWSA-N 457.000 4.282 50 10 JIGE O=S(=O)(NC[C@H](Br)C1CCC1)c1cc(Br)ccc1Br 315634595 YSQMHSIORMMXIL-NSHDSACASA-N 476.028 4.054 50 10 JIGE COc1cc([C@H](Br)c2cnn(C)c2Br)c(OC)cc1Br 379157423 IMCQKIUCAJBVLX-LBPRGKRZSA-N 468.971 4.447 50 10 JIGE Br[C@H]1C[C@]23C[C@@H](Br)[C@H](Br)C[C@]2(C[C@H]1Br)O3 396162710 QUGBRDPBXHAGDV-DAORTFEHSA-N 467.821 4.136 50 10 JIGE COC1CCC(O[C@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)CC1 686227421 JCEGMKJMHGIAQG-JMLCCBQJSA-N 453.361 4.165 50 10 JIGE C[C@@H]1CN(C(=O)c2cc(I)ccc2Br)C[C@@]1(C)CCl 694698861 CKWOSEBQXFDEFQ-YMTOWFKASA-N 456.549 4.391 50 10 JIGE CC(=NNC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1)c1ccc(F)cc1 1084152728 SYGCTMYSHWJKSQ-UHFFFAOYSA-N 453.539 4.178 50 10 JIGE CN(C)c1ccc(C=NNC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)cc1 1084195412 UPULPULOYQBWKT-UHFFFAOYSA-N 485.009 4.136 50 10 JIGE CC(=NNC(=O)CSc1nnc(-c2ccccc2Br)n1N)c1ccc2ccccc2c1 1084223397 RGXHSSSSHBDHRJ-UHFFFAOYSA-N 495.406 4.207 50 10 JIGE CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)NNc1ccccc1C(F)(F)F)C2=O 1086850321 VQWUSBDPNVOICI-UHFFFAOYSA-N 454.493 4.066 50 10 JIGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1 1215241562 CGHACQTXENZRED-QGZVFWFLSA-N 458.474 4.173 50 10 JIGE O=C(COc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1)OCCCc1ccccc1 1858689256 BYZJQCUPZAWORI-UHFFFAOYSA-N 451.435 4.156 50 10 JIGE CCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1cc(OC)c(O)c(OC)c1)C(C#N)=C(N)O2 1865714520 MHZQBQDVJGBHMD-IBGZPJMESA-N 452.898 4.029 50 10 JIGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@H]1C[C@@H]1Br 1883562417 BIGQXEYBSUFZDK-KBJGYGKASA-N 471.395 4.449 50 10 JIGE CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)C(=O)NCC1CC(Br)C1 1887775411 CHJQKWZSZYPPPS-AVVWSFFYSA-N 490.236 4.175 50 10 JIGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1ccccc1I 1902793642 BXHOEBZIQAFZOB-HNNXBMFYSA-N 488.163 4.391 50 10 JIGE CC(C)[C@@H](Br)C(=O)NC1(CNC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 1987441999 PNQSEOCDNUCYQL-LJQANCHMSA-N 482.463 4.082 50 10 JIGE Brc1cc(I)cnc1N1C[C@H]2C[C@H]1CC[C@H]2Br 2015766903 MNXQIQJZHKCMJE-SZEHBUNVSA-N 471.962 4.201 50 10 JIGE O=C(Cl)C=CC(=O)Nc1cc(Br)c(I)c(Br)c1 2020414184 AQNUTRIUODUYOJ-UHFFFAOYSA-N 493.320 4.076 50 10 JIGE O=C(NCC1(F)CCN(C(=O)OCc2ccccc2)CC1)[C@H](Br)C1CCCC1 2048144921 VWAFLYVMBRDBEP-GOSISDBHSA-N 455.368 4.197 50 10 JIGE Fc1ccnc(F)c1-n1nc(CBr)c(I)c1C(F)(F)F 2078934624 RRZMPJOHAVGLOJ-UHFFFAOYSA-N 467.961 4.064 50 10 JIGE CN(C(=O)c1ccc(Br)cc1I)[C@@H]1CCC[C@H]1Br 2086138711 FEGJYBXKRKYIOT-ZYHUDNBSSA-N 486.973 4.442 50 10 JIGE O=C(c1c(Br)cccc1Br)N1C[C@@H]2CC[C@H](C1)C2Br 2111480314 XFBABJGBRXBTAE-PHXKMMTBSA-N 451.984 4.457 50 10 JIGE CO[C@]1(CBr)CCCN(C(=O)c2cccc(Br)c2Br)C1 2148748795 FNKRIVFVGPWQNT-AWEZNQCLSA-N 469.999 4.228 50 10 JIGE O=C(c1cccc(F)c1I)N1C[C@H](Br)C2(CCCC2)C1 2174378984 JZAWPAWPENJVKJ-LBPRGKRZSA-N 452.105 4.210 50 10 JIGE CC(C)(C)[C@H]1[C@@H](Br)CCN1C(=O)c1ccc(F)cc1I 2185101449 YWIVBSUHOWYOGN-WCQYABFASA-N 454.121 4.454 50 10 JIGE O=C(NC[C@H]1CC[C@@H](CBr)CO1)c1cc(Br)cc(Br)c1 2279411221 UUXYAGKRYKOWTK-TVQRCGJNSA-N 469.999 4.132 50 10 JIGE Cc1cc(C(=O)NCC2(CBr)CC(F)(F)C2)ccc1I 2281656931 SAGSPTBPZUXBEZ-UHFFFAOYSA-N 458.084 4.140 50 10 JIGE O=C(N[C@H]1C[C@@H](CBr)[C@@H]2C[C@H]12)c1cc(Br)cc(Br)c1 2329870111 BUXKASFAYLEXOU-WTFGDDLMSA-N 451.984 4.361 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@@H]2C[C@@H](Br)[C@H]1C2 2335067267 LFLIVJVYLJOJQJ-OASPWFOLSA-N 451.984 4.138 50 10 JIGE O=C(c1cccc(I)c1)N1CC[C@H](Br)C[C@@H]1C(F)(F)F 2361454913 LJPHIMIOEZFTQZ-GXSJLCMTSA-N 462.047 4.222 50 10 JIGE O=C(Nc1ccc(CBr)c(F)c1)c1cc(I)ccc1O 2367690551 ZKNMLRJKRZRFRL-UHFFFAOYSA-N 450.045 4.283 50 10 JIGE O=S(=O)([C@H]1C[C@H](OCc2ccccc2)C1)N1CC[C@@H](C2CCC(Br)CC2)C1 2381278100 HDTWEQXYMNKAGE-SSXNTNPLSA-N 456.446 4.340 50 10 JIGE COc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccccc3)nc3c(C)cccn3c2=O)cc1 2418058 JWSFTNQWQWCOSR-SDXDJHTJSA-N 452.470 4.350 50 10 JIGE Cc1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c(Br)c1 3658113 CLVZHDYCGBUAAV-SSDVNMTOSA-N 458.268 4.455 50 10 JIGE Cc1ccc(C(=O)NNC(=S)NC(=O)/C=C/c2cccc3ccccc23)cc1Br 12503539 LRXMRJGBVRCWAK-VAWYXSNFSA-N 468.376 4.260 50 10 JIGE CCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)OC)cc2OC)cc1OCC 33378389 XYJNBRNCOVGPKN-UXZHGZJPSA-N 451.475 4.191 50 10 JIGE C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCc1ccc(NC(=O)CBr)cc1 33753420 YMQJITXAROYXIT-XTZPKPCCSA-N 457.412 4.493 50 10 JIGE COc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@H](C)Oc3ccc(F)cc3)ccc21 38650037 OYJNNCFRCQLMNK-IZHWHUGBSA-N 460.461 4.425 50 10 JIGE O=C(N/N=C1\C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21)c1cccc(F)c1 59146404 YDQBBFJILGHZEB-QOMWVZHYSA-N 470.273 4.408 50 10 JIGE COc1cc(/C=N/NC(=O)COc2c(C)cc(C)cc2Br)cc(Br)c1O 97136574 DCGWEUAZIRPYNZ-ODCIPOBUSA-N 486.160 4.072 50 10 JIGE COC(=O)c1ccc(C(=O)OC)c(N/C=C(/C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c1 102419959 QDSHYFLHEYFBFJ-PTNGSMBKSA-N 464.459 4.268 50 10 JIGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccc(C)cc3)cc2)cc1 254629515 UKRDZZVBLVTHEL-UHFFFAOYSA-N 473.529 4.482 50 10 JIGE ClCc1cc2ccccc2nc1-n1cnc(I)c1I 311480891 TYKUEJGJWBLLJM-UHFFFAOYSA-N 495.489 4.369 50 10 JIGE C[C@H]1[C@@H](Br)CCCN1C(=O)c1cc(Br)ccc1I 384227200 FOJWUCFUKWQGRG-KWQFWETISA-N 486.973 4.442 50 10 JIGE COC1(CBr)CCN(C(=O)c2ccc(Br)cc2Br)CC1 401819347 CMNVBPZBFDJYQZ-UHFFFAOYSA-N 469.999 4.228 50 10 JIGE COCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)Nc2c(C)nn(-c3ccccc3)c2C)c1C 897573017 BBYPAUAUGSCLAK-FYYJVHHASA-N 489.576 4.031 50 10 JIGE COc1cc2ccccc2cc1C(=O)NN=C1C(=O)N(CC(=O)Nc2ccc(C)cc2)c2ccccc21 1084156935 OSGWBELAWMJIRN-UHFFFAOYSA-N 492.535 4.276 50 10 JIGE CC(=NNC(=O)c1nc2ccccc2c(=O)n1Cc1ccccc1)c1ccc(Br)cc1 1084447711 GDXSNCMSTSEUID-UHFFFAOYSA-N 475.346 4.361 50 10 JIGE C=CCOC[C@@H](NC(=O)/C(C#N)=C/c1cc(C)n(-c2cccc3ccccc23)c1C)C(=O)OC 1467514756 AGIMBIZHDKJPBM-WLGHQHAYSA-N 457.530 4.015 50 10 JIGE C=CCOc1ccc(Br)cc1NC(=O)NNC(=O)c1cc(-c2ccccc2)on1 1625538764 KVUJJAWQQGMQAO-UHFFFAOYSA-N 457.284 4.135 50 10 JIGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@H](c2cc(OC)ccc2OC)C(C#N)=C(N)O3)cc1 1865692285 KWORHKIOKAABTP-HSZRJFAPSA-N 481.512 4.178 50 10 JIGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(O)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865714487 LRUBHUTVLYUCAO-QFIPXVFZSA-N 459.506 4.333 50 10 JIGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)Cc2ccc3c(c2)OCCO3)cc1 1866607690 ZUSXEYIUXADYAF-JOCHJYFZSA-N 491.544 4.079 50 10 JIGE Cc1nc(C(=O)N[C@@H](CCBr)COCc2ccccc2)c(Br)s1 1902795089 UORZFNIAUMMUDK-ZDUSSCGKSA-N 462.207 4.314 50 10 JIGE O=C(c1cccc(Br)c1Br)N1C[C@@H]2CC[C@@]2(CBr)C1 1903936118 ZLDILESPXKPHOA-LKFCYVNXSA-N 451.984 4.459 50 10 JIGE C[C@@H]1CCCN(c2nnc(SCC(=O)C(C#N)=C3Nc4ccccc4N3C)n2Cc2ccco2)C1 2040494917 AJLSKRQCIMWVNI-QGZVFWFLSA-N 489.605 4.114 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CN(C(=O)OC(C)(C)C)C[C@]2(CCCO2)C1 2061268599 WSOHWFVWLMPEMZ-VGSWGCGISA-N 491.720 4.041 50 10 JIGE O=C(c1cc(Br)cc(Br)c1)N1C[C@H](CBr)C2(CC2)C1 2087791080 XSHQVLZQFHVRBN-JTQLQIEISA-N 451.984 4.459 50 10 JIGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CC2(CC[C@H]1CBr)CC2 2154155218 AQQUXVPCCUZPLJ-QMMMGPOBSA-N 463.644 4.492 50 10 JIGE C[C@@H]1C[C@H](N(C)S(=O)(=O)c2ccc(Br)c(CCl)c2)CN1Cc1ccccc1 2154838056 ASXOWVJZGMZYER-QAPCUYQASA-N 471.848 4.471 50 10 JIGE CC[C@@H](Br)[C@H]1CCCCN1C(=O)Cc1ccccc1I 2170600369 LLQXKIGJPHWFLV-UKRRQHHQSA-N 450.158 4.388 50 10 JIGE C[C@H]1CCS[C@@H]1CN(C)S(=O)(=O)c1cc(CBr)sc1Br 2179784522 ADCNTQMBWQFQSF-WCBMZHEXSA-N 463.282 4.168 50 10 JIGE CN(C[C@H]1CCCCN1Cc1ccccc1)S(=O)(=O)C1CCC(CBr)CC1 2179824888 AJJYFKNJICJOGG-VEDCXYSMSA-N 457.478 4.256 50 10 JIGE CC(C)[S@](=O)(=NC(=O)[C@H](Br)C1CCCC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2183216883 SHSDNEWTYGHTKU-FICWAZMISA-N 465.454 4.353 50 10 JIGE C[C@@H](c1cscc1Br)N(C)S(=O)(=O)CCC(F)(F)CBr 2186579859 HWKSKZTYYSLKEJ-QMMMGPOBSA-N 455.184 4.254 50 10 JIGE O=C(c1cccc(F)c1I)N1CC[C@H](CBr)C12CCC2 2190348072 UEMYHYTZMWZYFB-SNVBAGLBSA-N 452.105 4.210 50 10 JIGE CC1(C)C[C@](C)(CBr)CN1C(=O)c1cccc(F)c1I 2199556221 JIJMRJMZMXVZCH-OAHLLOKOSA-N 454.121 4.456 50 10 JIGE O=C(Cc1ccccc1I)N1CCCC[C@H]1CCCBr 2206650749 HGEVXFMQLJIDNN-AWEZNQCLSA-N 450.158 4.390 50 10 JIGE Cc1ccc(I)c(C(=O)N2[C@H]3CC[C@H]2[C@@H](F)[C@H](Br)C3)c1 2240925399 XWUJATCCGGSRSX-HYKPAMGXSA-N 452.105 4.078 50 10 JIGE CC(C)(C)OC(=O)NC[C@H]1C[C@H](C(F)(F)F)CCN1CCCCI 2248248738 PZMHQDCJVIJPHQ-CHWSQXEVSA-N 464.310 4.369 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@H]2C[C@@H](Br)C[C@H]2C1 2295311829 POSFLGPJGFNZEY-GNXNZQSNSA-N 466.011 4.386 50 10 JIGE COc1cc(C=NNC(=O)COc2ccc3c(C)cc(=O)oc3c2)ccc1OCc1ccccc1F 2328804080 BKVVUVRYNZUPQK-UHFFFAOYSA-N 490.487 4.357 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1CCC2CC1(CBr)C2 2336443847 BPDWWOUMMSBNLM-UHFFFAOYSA-N 454.533 4.334 50 10 JIGE COCCO[C@@H]1[C@H](Br)C[C@H]1OCc1ccc(Cl)cc1I 2365635095 CBWDEKVFQJWKTG-MRVWCRGKSA-N 475.548 4.029 50 10 JIGE O=C(NC1CCCCC1)[C@@H](c1ccc(F)cc1)N(C[C@@H]1COc2ccccc2O1)C(=O)CCl 3037415 RHJVEGKZBSPXAW-HYBUGGRVSA-N 474.960 4.223 50 10 JIGE CC[C@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)COc2cc(C)ccc2C(C)C)c1 10671813 SFQGBCCZPFFEAV-KRWDZBQOSA-N 457.596 4.010 50 10 JIGE O=C(CCC(=O)N/N=C/c1cc(Cl)cc(Cl)c1O)N/N=C/c1cc(Cl)cc(Cl)c1O 12575080 QURFCRBYWVQVMH-ZPNKGADNSA-N 492.146 4.092 50 10 JIGE CC(C)Oc1ccc(Br)cc1C(=O)NNC(=O)c1ccccc1Br 14668076 GPWWTKSODGNRIN-UHFFFAOYSA-N 456.134 4.074 50 10 JIGE CC(C)COC(=O)c1ccc(Nc2ncnc(NNC(=O)c3ccc(Cl)cc3)c2[N+](=O)[O-])cc1 40649900 BSMDSVRNFYIWIS-UHFFFAOYSA-N 484.900 4.352 50 10 JIGE Cc1c(C(=O)NNC(=O)c2ccccc2Cl)oc2c1/C(=N/Nc1ccc([N+](=O)[O-])cc1)CCC2 40814779 XAVGQOJUOBXWNW-NLRVBDNBSA-N 481.896 4.377 50 10 JIGE COc1cc(/C=C\C#N)ccc1OC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 41015725 JISVEUCMTLNRAZ-AMZHIVGSSA-N 452.466 4.045 50 10 JIGE COc1cc(/C=C2/C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 101337380 SALGVKCLQMLGIZ-BCVDLATCSA-N 476.504 4.185 50 10 JIGE COCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2C)C1=O 214291010 GISIMLHPKLFBJL-XYGWBWBKSA-N 496.567 4.485 50 10 JIGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc(C)c(C)c3)cc2OC)cc1 254508360 JATVNNIMFUDRLP-UHFFFAOYSA-N 476.529 4.459 50 10 JIGE O=C(Cc1nc(-c2ccccc2)cs1)NNC(=O)C1CCN(c2nc3ccccc3s2)CC1 727367887 GQUNFPIWTNAPIA-UHFFFAOYSA-N 477.615 4.026 50 10 JIGE CC(C)n1ncc2c(C(=O)NNC(=O)c3cn(C)c4ccccc34)cc(-c3ccccc3)nc21 769754095 RSUUVWZZYGCPOB-UHFFFAOYSA-N 452.518 4.246 50 10 JIGE N#CCCn1cc(/C=C(/C#N)C(=O)Nc2cc3c(cc2F)CCC(=O)N3)c(-c2ccccc2)n1 914769528 FFIYNDITQVZVGW-WQRHYEAKSA-N 454.465 4.033 50 10 JIGE CC(/C=C/c1ccccc1)=NNC(=O)CCCSc1nnc(-c2ccccc2Br)n1N 1084031590 INVFMMGJOUAMEA-GKQFSAHDSA-N 499.438 4.499 50 10 JIGE O=C(CCCNc1ccc(Br)cc1)NN=Cc1cc(Br)ccc1O 1084063972 BLMHWCFFGONNHK-UHFFFAOYSA-N 455.150 4.260 50 10 JIGE C=CCN1/C(=N/NC(=O)c2ccc3c(c2)OCCO3)S[CH][C@H]1c1cccc(Br)c1 1616088100 VPOCLUMTUSPVJM-JOGXUEJDSA-N 473.372 4.359 50 10 JIGE CC(=O)c1cccc(OCc2cc(C(=O)NNC(=S)Nc3ccccc3C(C)C)no2)c1 1618124883 JXFFVJBFGDXGDD-UHFFFAOYSA-N 452.536 4.211 50 10 JIGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccn2)ccc1OC(C)C 1865696094 BZPASJZIQNCJDF-SFHVURJKSA-N 471.439 4.300 50 10 JIGE CCc1nn(Cc2ccccc2F)c2c1[C@@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865696199 KTKYBKGOZJBYBO-IBGZPJMESA-N 469.314 4.319 50 10 JIGE N#CSc1ccc(NC(=O)c2c[nH]c3c(F)cc(I)cc3c2=O)cc1 1866446965 PMOIVEIVVWQSQT-UHFFFAOYSA-N 465.247 4.097 50 10 JIGE O=C(NC[C@H]1CC[C@H](CBr)CC1)c1cccc(F)c1I 1922686460 RDUIUVIITOZOQK-XYPYZODXSA-N 454.121 4.361 50 10 JIGE C[C@@H](CO[C@]1(CI)CCCN(C(=O)OC(C)(C)C)C1)N1CCCCC1 2066643833 CBGIGRJEZNCLEJ-LPHOPBHVSA-N 466.404 4.082 50 10 JIGE COCCN(C)C[C@@H](Br)CCc1cc(Cl)ccc1I 2099446983 LQOVQZJIXDSZJS-LBPRGKRZSA-N 460.581 4.219 50 10 JIGE O=S(=O)(c1cc(CCl)sc1Br)N1C[C@H]2C[C@H]1CN(Cc1ccccc1)C2 2104387643 FBNYMWYGXHIQNM-GJZGRUSLSA-N 475.861 4.144 50 10 JIGE CN(C(=O)c1cccc(I)c1)[C@@H](CCBr)C(F)(F)F 2122004790 ZGIIIXZWTIZSQV-JTQLQIEISA-N 450.036 4.079 50 10 JIGE C[C@@H]1CN(C(=O)c2cccc(Br)c2Br)C[C@@H](CCBr)O1 2179381700 GAMGJSPHNWOYQX-NXEZZACHSA-N 469.999 4.226 50 10 JIGE Cc1c(CBr)cccc1S(=O)(=O)N(Cc1ccccc1)C1CCN(C)CC1 2179778170 AVGDDQSGKFVZHU-UHFFFAOYSA-N 451.430 4.175 50 10 JIGE Cc1cc(S(=O)(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)ccc1CBr 2179785541 NYXFPQYGMMZNPH-SFHVURJKSA-N 451.430 4.175 50 10 JIGE O=S(=O)(c1ccc(CBr)s1)N1CCC[C@@H]1[C@@H]1CCN(Cc2ccccc2)C1 2179810219 CNNVENURWDQJFV-IEBWSBKVSA-N 469.470 4.318 50 10 JIGE CCc1ccc(S(=O)(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)cc1CBr 2179861427 HFJXCIAOQAZFPM-FQEVSTJZSA-N 451.430 4.039 50 10 JIGE CCCN[C@@H](c1cc(I)cc2c1OCC2)[C@H]1C[C@H](Br)C1 2196896888 SGYOEEZRFWEYDK-LALPHHSUSA-N 450.158 4.440 50 10 JIGE CCOc1ccc([C@H](Br)c2nn(C)nc2Br)c(Br)c1 2226987887 WEBPRZSBSZKWBD-JTQLQIEISA-N 453.960 4.223 50 10 JIGE COCCCCCCO[C@]1(CI)CCCN(C(=O)OC(C)(C)C)C1 2249961914 IRLSJGKUOLQRGT-SFHVURJKSA-N 455.377 4.415 50 10 JIGE CS(=O)(=O)C1([C@H](Br)Cc2cc(Br)cc(Br)c2)CCC1 2277966559 UMHLZEOQNREMPE-GFCCVEGCSA-N 475.040 4.485 50 10 JIGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(Br)cc2)cc1 2314777751 SKHHXULXBDDABM-UHFFFAOYSA-N 457.324 4.257 50 10 JIGE Cc1ccc(-c2csc3ncn(CC(=O)NN=Cc4c(F)cccc4Cl)c(=O)c23)cc1 2325904638 MLNKKRSZKMELTM-UHFFFAOYSA-N 454.914 4.376 50 10 JIGE C[C@@H](CCCCCBr)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338853614 YNOOCYIUIQRPAO-KRWDZBQOSA-N 487.460 4.106 50 10 JIGE O=C(c1sccc1I)N1CCC[C@@H](Br)[C@H]1C(F)(F)F 2344128403 OHINYBNKVSPBJX-MUWHJKNJSA-N 468.076 4.283 50 10 JIGE CC(C)[S@](=O)(=NC[C@]1(CBr)CC1(F)F)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2351887563 APWHXYBJOUAMAD-XPDPZLQSSA-N 459.397 4.293 50 10 JIGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)COc2ccc(Br)cc2Cl)cc1 13978011 FEXMZSWLQKHYRB-UHFFFAOYSA-N 469.763 4.005 50 10 JIGE CN(NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 27532223 GRFDGEIXFYNLDS-UHFFFAOYSA-N 470.407 4.249 50 10 JIGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCOC)C(=O)C(C#N)=C2C)c(C)c1 38606079 XSCHUKOCGMCRBM-PCLIKHOPSA-N 496.567 4.485 50 10 JIGE N#CC1=C(N)Oc2cc(OC(=O)COc3cccc(Cl)c3)ccc2[C@@H]1c1cccc([N+](=O)[O-])c1 38654274 DPGAHYDJFWPIBV-QHCPKHFHSA-N 477.860 4.451 50 10 JIGE CC(C)COC(=O)c1ccc(Nc2ncnc(NNC(=O)c3cccc(Cl)c3)c2[N+](=O)[O-])cc1 40649908 LCLSJJVFOFFELN-UHFFFAOYSA-N 484.900 4.352 50 10 JIGE Cc1ccc2cccc(Nc3ncnc(NNC(=O)c4ccc(Br)cc4)c3N)c2n1 40758656 XKLKMPIGCVWCIH-UHFFFAOYSA-N 464.327 4.178 50 10 JIGE CCOc1cc(/C=C2\C(=O)N(CCOC)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 214288891 LJOFYTBLDUCDDV-MOSHPQCFSA-N 464.493 4.042 50 10 JIGE CC(C)[C@@H](Br)C(=O)Nc1cc(Br)ccc1I 300976683 QWPVQSSBBKXGJW-SNVBAGLBSA-N 460.935 4.412 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2CC[C@H](Br)C2(C)C)cc1Br 312785250 IENDFSDAPMNMCQ-LBPRGKRZSA-N 490.055 4.457 50 10 JIGE Cc1ccc(O)c([C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)c1 382695355 QLKPCOQZOGCAQG-WMZOPIPTSA-N 451.304 4.488 50 10 JIGE C[C@H]1C[C@H](CCl)CN(C(=O)c2cc(I)ccc2Br)C1 398683443 ZFAZLSPFHHSBJD-VHSXEESVSA-N 456.549 4.391 50 10 JIGE C[C@H]1C[C@@H](CBr)CN(C(=O)c2ccc(I)c(Cl)c2)C1 398798603 MACRJMIHCYGDBI-UWVGGRQHSA-N 456.549 4.438 50 10 JIGE C[C@H]1CN(C(=O)c2cc(Cl)ccc2I)C[C@H](C)C1Br 688086422 MUZZLKBLTFOVDR-IUCAKERBSA-N 456.549 4.436 50 10 JIGE C#CCOc1ccc(Br)cc1C=NNC(=O)[C@H](C)Nc1nc2ccccc2s1 730583044 IGMWZORDJIFXBO-ZDUSSCGKSA-N 457.353 4.022 50 10 JIGE Cc1ccc(N(CC(=O)NN=Cc2ccc(OC(C)C)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 1084152741 WDZPMWHDWJVOBK-UHFFFAOYSA-N 483.565 4.267 50 10 JIGE COc1cc2ccccc2cc1C(=O)NN=C1C(=O)N(CCOc2ccccc2)c2ccccc21 1084188402 UHEZGYDVACYBRP-UHFFFAOYSA-N 465.509 4.408 50 10 JIGE CCn1c(NNC(=O)/C=C/c2c(C)nn(Cc3ccc(Cl)cc3)c2Cl)nc2ccccc2c1=O 1087485819 MUDFIAWWGMDKLR-OUKQBFOZSA-N 497.386 4.433 50 10 JIGE Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 1865712072 OYDFFBYETUYNTR-GOSISDBHSA-N 499.405 4.097 50 10 JIGE CC(C)(C)OC(=O)N[C@@H](CBr)[C@H]1CN(C(=O)OC(C)(C)C)C2(CCOCC2)C1 1885095649 CPNJFOMJIKUBMW-CABCVRRESA-N 463.413 4.081 50 10 JIGE C[C@@H]1CN(Cc2ccccc2)CCN1S(=O)(=O)c1ccc(CCl)c(Br)c1 1885142750 ZXZXTSFVOCZGGB-OAHLLOKOSA-N 457.821 4.083 50 10 JIGE C[C@@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1sccc1Br 1914347464 FQOKERNKHPKALW-NSHDSACASA-N 453.221 4.485 50 10 JIGE O=C(NCC1CCC(CBr)CC1)c1cccc(F)c1I 1922680438 RDUIUVIITOZOQK-UHFFFAOYSA-N 454.121 4.361 50 10 JIGE CC[C@@H]1CCOC[C@@H]1O[C@@](C)(CI)CN(CC)C(=O)OC(C)(C)C 1947169676 QPFMERHZCFWLQZ-VKJFTORMSA-N 455.377 4.269 50 10 JIGE O=C(Cl)c1ccc(C(F)(F)F)c(I)c1I 2060044948 UTSPSZJVSWNFNE-UHFFFAOYSA-N 460.358 4.294 50 10 JIGE O=C(N[C@@H]1C[C@H](CBr)[C@@H]2C[C@H]12)c1cccc(Br)c1Br 2110549179 MAEWMMZAFJYPDU-WCXZBXRPSA-N 451.984 4.361 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OCCCN2CCCCCC2)C1 2119263365 HGPBLHUDMKOVKN-HXUWFJFHSA-N 480.431 4.474 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2CC[C@@H]2[C@H](C)Br)cc1Br 2125818125 MSCZSPSUTRCJCT-GZMMTYOYSA-N 476.028 4.066 50 10 JIGE O=C(Cc1ccccc1I)N[C@@H](CCBr)C1CCCC1 2143867531 DDOBYMPRKSREHD-HNNXBMFYSA-N 450.158 4.294 50 10 JIGE CC(C)[C@@H](CCN(C)S(=O)(=O)c1ccc(CBr)cc1)NC(=O)OC(C)(C)C 2163051211 QXORZRULIIGXBO-QGZVFWFLSA-N 463.438 4.141 50 10 JIGE O=C(c1cc(I)ccc1F)N1C[C@@H]2CCC[C@]2(CBr)C1 2169662683 KXZUJPSRDDWOMD-BONVTDFDSA-N 452.105 4.068 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1CC[C@H](Br)CC12CC2 2169893721 DSCNUTMQGIOHNS-JTQLQIEISA-N 488.039 4.292 50 10 JIGE O=C(N[C@@H]1COC2(CCC2)[C@H]1Br)c1ccc(Br)cc1Br 2206483388 DGIXXKLYMFPOHT-NEPJUHHUSA-N 467.983 4.026 50 10 JIGE ClCCc1nc2cc(Br)cnc2n1C[C@H]1CC1(Br)Br 2224806666 QZQLCJRGFBVMEZ-SSDOTTSWSA-N 472.406 4.481 50 10 JIGE C[C@H]1CCCN(C(=O)c2c(F)cccc2I)[C@@H]1CCBr 2282808029 KLTJDNZFTWKPPC-GXFFZTMASA-N 454.121 4.456 50 10 JIGE Cc1cc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N2CCOCC2)ccc1OC(C)C 2296539272 KPZBHJJQRKBUPR-UHFFFAOYSA-N 456.546 4.401 50 10 JIGE Cc1cc(Br)cc(C)c1O[C@H](C)C(=O)NNC(=O)COc1ccccc1C(C)C 14642975 QPDGMXFFDWKXSV-MRXNPFEDSA-N 463.372 4.183 50 10 JIGE CCOc1cc(/C=N/NC(=O)c2ccc(OCc3cccc4ccccc34)cc2)ccc1OCC(N)=O 20175900 RZVCHYOJPBUFAY-KBVAKVRCSA-N 497.551 4.446 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)NC[C@H]2CCC[C@@H]2CCl)cc1Br 155823030 OXGUGLZPYCHAQQ-GHMZBOCLSA-N 459.631 4.453 50 10 JIGE CC1(C)CN(C(=O)c2cc(Br)ccc2Br)C[C@@H](CBr)O1 164238486 IUWNHSFSIHUIAK-SNVBAGLBSA-N 469.999 4.226 50 10 JIGE C[C@H]1CCN(S(=O)(=O)c2cc(Br)ccc2Br)C[C@@H]1Br 230302195 NWQDZEHOZYNWEY-KWQFWETISA-N 476.028 4.006 50 10 JIGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)NN=Cc1cccc(OC)c1 254592664 XVMXCXSNLLWUTA-MRXNPFEDSA-N 485.013 4.369 50 10 JIGE CCCOc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(OC)cc3)n2CC)cc1 254737094 YGXIEZWMEVUCFK-UHFFFAOYSA-N 453.568 4.005 50 10 JIGE O=S(=O)(c1cc(Br)cc(CCl)c1F)N1CC[C@H](OCc2ccccc2)C1 383946830 ZGFVBKGZRQXALK-INIZCTEOSA-N 462.768 4.307 50 10 JIGE O=C(N[C@H](CBr)CC(F)F)c1scc(Br)c1Br 717768892 QTEULNFFQRCOOV-BYPYZUCNSA-N 455.944 4.422 50 10 JIGE CC[C@@H]1CCCCN1C(=O)[C@@H](C)OC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1 761399785 CPTUBAFQEVHTTC-XMPSTDDBSA-N 459.550 4.094 50 10 JIGE COc1ccc(COC(=O)NN=Cc2ccc(OCc3ccc(C(=O)O)cc3)c(OC)c2)cc1 1084326210 CSYWSSAXYALRPP-UHFFFAOYSA-N 464.474 4.241 50 10 JIGE CC(C)Oc1ccc(C=NNC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc1 1084520629 ZQBXKPDPUDHQNJ-UHFFFAOYSA-N 485.993 4.473 50 10 JIGE CCc1cccc(C)c1N1C[C@H](C(=O)NNC(=O)c2ccc(-c3ccc(C)c(C)c3)nc2C)CC1=O 1865756181 KSLFUWRUFVJQFV-HSZRJFAPSA-N 484.600 4.359 50 10 JIGE O=C(N[C@H](CCCl)C(F)F)c1cc(I)ccc1Br 1918584203 OXGOYOSLBNMRRM-SECBINFHSA-N 452.464 4.046 50 10 JIGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCOC)C(=O)C(C#N)=C2C)cc1 2040991892 GLFICVJAGOCDKT-UHFFFAOYSA-N 482.540 4.177 50 10 JIGE CC(N)=C(C#N)C(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1F)CC[C@H](C)C3 2042438135 LPEFZERTZJDBEJ-LBPRGKRZSA-N 468.579 4.129 50 10 JIGE CC[C@@H](Br)CN(C)S(=O)(=O)c1cc(Br)ccc1Br 2044546418 QRZGMEWLKPAELS-MRVPVSSYSA-N 464.017 4.006 50 10 JIGE CC(C)[C@H](CBr)CNC(=O)c1ccc(Br)cc1I 2086149863 SYOLQADJQJRDDD-SECBINFHSA-N 488.989 4.451 50 10 JIGE CCCN1CC[C@@H]([C@H](Br)c2cc(Br)c(Cl)s2)S1(=O)=O 2115930531 NZMOFKNDSBHVPU-VHSXEESVSA-N 451.633 4.414 50 10 JIGE C=C[C@]1(CBr)COCCN1Cc1cc(Br)ccc1Br 2135114938 LZNPOHYOSIGCLH-AWEZNQCLSA-N 454.000 4.364 50 10 JIGE CN(Cc1ccccc1)C1CCN(S(=O)(=O)c2ccc(CCl)c(Br)c2)CC1 2144829331 LACCWPQHRSBERR-UHFFFAOYSA-N 471.848 4.473 50 10 JIGE O=S(=O)(NC[C@H]1CCCC2(CCC2)[C@@H]1Br)C1CC(OCc2ccccc2)C1 2161299056 WJEBUBHAIDNYAJ-YNIZLOQISA-N 456.446 4.388 50 10 JIGE CN([C@@H]1CN(Cc2ccccc2)C(C)(C)C1)S(=O)(=O)C1CCC(CBr)CC1 2179826512 SXQZTYRNHMBJQB-SYYJFZTOSA-N 457.478 4.255 50 10 JIGE O=S(=O)(c1ccc(CBr)c(Cl)c1)N1C[C@@H]2[C@H](CCN2Cc2ccccc2)C1 2188885007 LVMGDMHYGBYPON-YLJYHZDGSA-N 469.832 4.130 50 10 JIGE CC(C)(C)OC(=O)NC[C@@](C)(CI)OC1CCN(Cc2ccccc2)CC1 2242037490 CJWYPNAIBHLQAW-OAQYLSRUSA-N 488.410 4.386 50 10 JIGE O=C(N[C@H]1C[C@H](Br)C1)c1c[nH]c2cc(Br)c(Br)cc12 2277812296 NHYGDULVZRRDIN-LJGSYFOKSA-N 450.956 4.349 50 10 JIGE CC(CC(=O)Nc1ccccc1Cl)=NNC(=O)COc1ccc(Br)c(C)c1 2297635488 WBECEQQPLPMWOS-UHFFFAOYSA-N 452.736 4.311 50 10 JIGE Cc1cc(S(=O)(=O)N[C@H](CCBr)COCc2ccccc2)sc1Br 2303543352 OPGUROCMERPPEK-CQSZACIVSA-N 497.274 4.468 50 10 JIGE N#CC(=Cc1ccc(OC(=O)COc2ccccc2Br)cc1)C(=O)NCc1ccco1 2314760695 XTRKSFISXGLHIB-UHFFFAOYSA-N 481.302 4.250 50 10 JIGE O=C(N[C@H]1C[C@@H](CBr)[C@H]2C[C@@H]12)c1ccc(Br)cc1I 2333351043 NOSCAKRKTCKVCK-ODDDBGHMSA-N 498.984 4.203 50 10 JIGE COc1ccc(/C(C)=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)cc1OC 33342008 UZYZPFYOYVNHLM-OGLMXYFKSA-N 488.569 4.035 50 10 JIGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc([N+](=O)[O-])c2)cc1C 38654015 JAPLLHPDXIOUGK-VWLOTQADSA-N 471.469 4.414 50 10 JIGE Cc1cc(Br)c([C@H](Br)[C@H]2CCS(=O)(=O)C2)cc1Br 128742869 HLDXQPPHAYIPOH-QPUJVOFHSA-N 461.013 4.391 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CCC(Br)CC1 232462861 RTEUZLDBWOTMFT-UHFFFAOYSA-N 472.946 4.053 50 10 JIGE O=C(NCCCCCCI)c1ccccc1I 236149268 JNQLAYDPBXQKPI-UHFFFAOYSA-N 457.093 4.016 50 10 JIGE C[C@@H]1CCN(C(=O)c2ccc(I)c(Cl)c2)C[C@@H]1CBr 700432862 SDOMVJPWMLHLCG-KOLCDFICSA-N 456.549 4.438 50 10 JIGE COc1ccc(OC)c2c1CN(C(=O)/C(C#N)=C\c1cc(C)n(-c3ccc(F)cc3)c1C)C[C@@H]2O 843453265 HAQPIEKPOGAKJM-UQQMVDRBSA-N 475.520 4.233 50 10 JIGE Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)OC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1 853447004 BFKBGMRCWJIWPN-RYHWXEEASA-N 481.556 4.488 50 10 JIGE CC(=O)c1ccc(N2CCN(C(=O)/C(C#N)=C/c3cn(CCC#N)nc3-c3ccccc3)CC2)c(F)c1 914465423 AFWAWYJBDIJFEO-XQNSMLJCSA-N 496.546 4.061 50 10 JIGE O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)NN=Cc1ccc(Cl)cc1Cl 1083916361 SHBQBIZBZBJWNG-UHFFFAOYSA-N 490.412 4.377 50 10 JIGE COc1ccc(OC)c([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)c1 1614812305 ZAMCQQAFJCNCIA-APWZRJJASA-N 481.330 4.491 50 10 JIGE Cc1c(C(=O)N2CCCC[C@H]2C)oc2c1C(=NNC(=O)c1cncc(Br)c1)CCC2 1772746978 JJCIPVQLHYIRKU-CYBMUJFWSA-N 473.371 4.231 50 10 JIGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccn2)c1 1865693809 ZHAXPASDUUAMOP-QFIPXVFZSA-N 451.486 4.170 50 10 JIGE COc1ccc(-c2nn(C)c3c2[C@@H](c2cc(Br)ccc2F)C(C#N)=C(N)O3)cc1 1865701914 ICNWGYKCVWJAGY-KRWDZBQOSA-N 455.287 4.215 50 10 JIGE COc1cccc(/C=N/NC(=O)COc2ccc3c(C)cc(=O)oc3c2)c1OCc1ccc(F)cc1 1873792589 GROSCMFRGTTYNX-IPPBACCNSA-N 490.487 4.357 50 10 JIGE O=C(O)c1cc(Br)cc(Br)c1NC(=O)C1CC(Br)C1 1887769619 QFMBGHOWYXNHTN-UHFFFAOYSA-N 455.928 4.022 50 10 JIGE O=C(N[C@H]1CC[C@H](CBr)C1)c1cc(I)ccc1Br 2029536384 QLBFIFKGEGTNLM-WPRPVWTQSA-N 486.973 4.347 50 10 JIGE CCOC(=O)Cc1cc(CBr)cc(I)c1C(F)(F)F 2055273458 XUXOOXPLBCWNHJ-UHFFFAOYSA-N 451.020 4.311 50 10 JIGE O=C(NCCC(F)(F)CBr)c1ccc(I)c(Br)c1 2064897625 WUTKUMARONKLJW-UHFFFAOYSA-N 496.915 4.204 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@H](CCl)C2(CC2)C1 2087795114 MIPQKQUXRWXWEL-JTQLQIEISA-N 454.533 4.145 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@@H](Br)[C@@H](C2CC2)C1 2090685507 PMEGCEDTJCIUDM-VXGBXAGGSA-N 498.984 4.299 50 10 JIGE O=C(c1cc(Br)ccc1I)N1[C@H](CCl)[C@H]2CC[C@@H]1C2 2122176410 VBAAGRGYKNKZRE-IYYTYJHQSA-N 454.533 4.286 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CC[C@@H](Cl)C2(CC2)C1 2142279195 NBOUBYWSPYHGDE-GFCCVEGCSA-N 454.533 4.287 50 10 JIGE O=C(c1ccc(F)cc1I)N1[C@H]2CCC[C@H](Br)[C@H]1CC2 2154106711 SFACCCWCRZCIIG-VHRBIJSZSA-N 452.105 4.351 50 10 JIGE O=C(NC[C@@H]1CCC[C@H](CBr)C1)c1cc(I)ccc1F 2169665231 VCXSBCZHNPZKQS-WDEREUQCSA-N 454.121 4.361 50 10 JIGE CC(C)(C)OC(=O)N1CCCN([S@@](C)(=O)=NCc2ccc(CBr)cc2)CC1 2182845635 SMBFDBMQANTAJF-MHZLTWQESA-N 460.438 4.037 50 10 JIGE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(CBr)cc2)[C@H](C(F)(F)F)C1 2186680914 DSJHJOWWBTYYFA-AWEZNQCLSA-N 451.283 4.205 50 10 JIGE O=C(N[C@@H](CBr)C[C@@H]1CCOC1)c1cc(Br)cc(Br)c1 2195480201 WTEXPMRJQXKSMD-TVQRCGJNSA-N 469.999 4.132 50 10 JIGE CC1(C)C[C@@](C)(CBr)CN1C(=O)c1cc(I)ccc1F 2199542085 KSSOCWFAVYEGGR-HNNXBMFYSA-N 454.121 4.456 50 10 JIGE CCC[C@@H]1CN(C(=O)c2cccc(C)c2I)C[C@H]1CBr 2205703918 PBIZVSVTZMRJPX-CHWSQXEVSA-N 450.158 4.483 50 10 JIGE C[C@H]1C[C@@H](Br)CN(C(=O)Cc2cc(Br)cc(Br)c2)C1 2277916483 OAYOOQGJLILAEQ-TVQRCGJNSA-N 454.000 4.386 50 10 JIGE C[C@@H]1C[C@@H](CBr)CN1C(=O)Cc1cc(Br)cc(Br)c1 2277923712 FZUXEZNDUUSFQM-KOLCDFICSA-N 454.000 4.386 50 10 JIGE CN(C)S(=O)(=O)c1ccc(C(=O)Oc2cccc(C=C(C#N)c3ccccc3F)c2)cc1 2320511212 PEMZWUHSYDXFJZ-UHFFFAOYSA-N 450.491 4.359 50 10 JIGE CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccc(-c2ccc(C(C)=O)cc2)o1 2328796565 ZZMYTJGENNWOJG-IBGZPJMESA-N 459.568 4.246 50 10 JIGE C[C@@H](Cl)c1nc2cc(Br)ccc2n1-c1c(I)cnn1C 2381855981 GHKCTKVNNXSNLX-SSDOTTSWSA-N 465.520 4.426 50 10 JIGE Cc1cc(Br)cc(C)c1O[C@@H](C)C(=O)NNC(=O)CCC(=O)Nc1ccccc1Cl 14643205 KUSGQGPJCODZFF-AWEZNQCLSA-N 496.789 4.053 50 10 JIGE CC1(C)C[C@@H](NC(=O)Nc2n[nH]c3c2CCN(Cc2ccccc2)C3)C[C@@](C)(CN=C=O)C1 170290916 LGCNNXBQMUOUTB-KBMIEXCESA-N 450.587 4.010 50 10 JIGE CCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc3cc(C(=O)NCC(C)C)c(=O)oc3c2)cc1 206544031 YNVMLBLGVBHERJ-ODLFYWEKSA-N 460.486 4.090 50 10 JIGE CCOc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=C(C)/C=C/c2ccccc2)cc1 254309471 PQENEZSSUGKIAE-MUDAJVNOSA-N 470.529 4.482 50 10 JIGE CCOc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=C/C=C\c2ccccc2)cc1 254816496 HINCJZGSLOVDBV-MPUZODINSA-N 456.502 4.092 50 10 JIGE ClCc1nc2cccnc2n1-c1cc(I)cc(I)c1 709792992 PGVZXKGLLQCQMV-UHFFFAOYSA-N 495.489 4.369 50 10 JIGE C[C@@H](Br)[C@H]1CCN(C(=O)c2cc(Br)ccc2I)C1 719920199 VHPNWXDTYRYEKQ-BDAKNGLRSA-N 486.973 4.299 50 10 JIGE CCc1cccc(C)c1NC(=O)COC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1 761396175 CBJLRAIXAJDAAI-PXLXIMEGSA-N 467.529 4.423 50 10 JIGE C=CCOc1ccc(Br)cc1NC(=O)NNC(=O)c1cc(C)nc2ccccc12 1466816201 AGSVWMHCVKBHRQ-UHFFFAOYSA-N 455.312 4.337 50 10 JIGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(Cl)cc2)ccc1O 1865681344 KTAYCPDZWLMNBC-NRFANRHFSA-N 450.926 4.470 50 10 JIGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc3ccccc23)cc(OC)c1O 1865714353 IDEGHDJFFUDXCQ-QHCPKHFHSA-N 454.486 4.275 50 10 JIGE O=C(c1c(Br)cccc1Br)N1CCS[C@@H](CBr)C1 2033086511 MXZKDVNVMQYBIA-QMMMGPOBSA-N 458.013 4.164 50 10 JIGE O=C(NC12CC(CBr)(C1)C2)c1cc(I)ccc1Br 2033790168 PDKJSQMMDHERGF-UHFFFAOYSA-N 484.957 4.101 50 10 JIGE O=S(=O)(C[C@H](Cl)c1csc(Br)c1Br)N1CCCCC1 2093941697 AGUYETCLMGZZPR-VIFPVBQESA-N 451.633 4.369 50 10 JIGE O=C(N[C@H](CCBr)C1CCCCC1)c1cc(I)sn1 2120026398 ONPZSFQWDXLOMT-SNVBAGLBSA-N 457.175 4.211 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@H](C2CC2)[C@@H](Br)C1 2146835308 VDAGQSZBHDVLHW-PWSUYJOCSA-N 488.039 4.006 50 10 JIGE C[C@@H](Cl)c1nc2cc(I)ccc2n1-c1nn(C)cc1Br 2155765452 IRYHRNHNYNLXTR-SSDOTTSWSA-N 465.520 4.426 50 10 JIGE CC(C)(C)C[C@@H](CBr)CNC(=O)Cc1ccccc1I 2156332739 BAPYETWRMHUVQZ-LBPRGKRZSA-N 452.174 4.397 50 10 JIGE CN(Cc1cc(Cl)cs1)S(=O)(=O)c1cc(CBr)oc1Br 2179788123 YHKIGWDWDDVIMU-UHFFFAOYSA-N 463.600 4.473 50 10 JIGE C[C@H]1CN(Cc2ccccc2)CCCN1S(=O)(=O)c1ccc(F)c(CBr)c1 2179789270 OLOUGPRMZNNRBJ-INIZCTEOSA-N 455.393 4.006 50 10 JIGE C[C@H]1CN(Cc2ccccc2)C[C@@H](C)N(S(=O)(=O)C2CCC(CBr)CC2)C1 2179834597 KRZOQLIHENBGQT-LNLGZHKDSA-N 457.478 4.112 50 10 JIGE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H](N1S(=O)(=O)c1ccc(CBr)cc1)C21CC1 2199011029 VBFLWRKGTLBRPW-JKSUJKDBSA-N 457.390 4.049 50 10 JIGE CN(C[C@@H]1C[C@@H]1Br)C(=O)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229115971 ZZPLLDTYAOMQEG-CWRNSKLLSA-N 490.236 4.127 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N1CCC=C[C@H]1CBr 2277917087 IKZVYSUCOCUNNO-ZDUSSCGKSA-N 451.984 4.306 50 10 JIGE C[C@@H]1CN(C(=O)Cc2cc(Br)cc(Br)c2)CC[C@@H]1Br 2277933521 VFFKUFAATREFHM-RNCFNFMXSA-N 454.000 4.386 50 10 JIGE CCCNC(=O)C(C#N)=Cc1ccc(OC(=O)C(C#N)=Cc2ccccc2OCCC)c(OC)c1 2314774163 WBECAAXGSCLKHH-UHFFFAOYSA-N 473.529 4.430 50 10 JIGE O=C(N[C@H]1C[C@@H]2C[C@H]1C[C@@H]2Br)c1ccc(I)c(Cl)c1 2330898946 CLZZIENLLALSNP-YVNDNENWSA-N 454.533 4.236 50 10 JIGE CC(C)[C@@H]1C[C@@H](Br)CN1S(=O)(=O)c1cc(Cl)c(Br)s1 2344599386 NUCWAUXSWWQLMY-APPZFPTMSA-N 451.633 4.347 50 10 JIGE Cc1ccc(C)c(O[C@@H](C)C(=O)NNC(=O)COc2ccc3ccccc3c2Br)c1 14008495 CFSCAJFMSPBANE-INIZCTEOSA-N 471.351 4.213 50 10 JIGE CCCOc1ccccc1C(=O)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Br 14644473 RXTRLYWPKXPZBB-GFCCVEGCSA-N 455.736 4.120 50 10 JIGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)c(OC)c1 38657012 RAGONNVZCKKSEN-SGANQWHYSA-N 490.487 4.434 50 10 JIGE O=C(COc1ccccc1)NNC(=O)c1ccc(-n2nc(C(F)(F)F)c3c2-c2ccoc2CC3)cc1 39852187 VNKXMIGPTIPOAC-UHFFFAOYSA-N 496.445 4.090 50 10 JIGE CCOC(=O)c1c(NC(=O)N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)sc(C(C)=O)c1C 40846156 RRIZNZFGMMQQHP-DNTJNYDQSA-N 452.876 4.153 50 10 JIGE COc1cc(/C=N/NC(=O)CC[C@@H](O)c2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1 58887306 FJQJQTTYZNJXRR-XDEFOSFOSA-N 463.490 4.146 50 10 JIGE CCO[C@@H]1[C@H](Br)C[C@H]1Oc1c(Br)cc([N+](=O)[O-])cc1Br 252878645 YLFJPFLXEALPOI-CKYFFXLPSA-N 473.943 4.440 50 10 JIGE COc1ccc(C(=O)NN=Cc2ccc(OC(=O)/C=C/c3ccccc3)c(OC)c2)cc1OC 254393358 HEEQTQLPOOTPIT-QLESMYAHSA-N 460.486 4.095 50 10 JIGE CCCOc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(O)c([N+](=O)[O-])c2)cc1 254761078 HTRHALFBBMCHQT-IXKTZPFVSA-N 488.500 4.010 50 10 JIGE FC(F)(F)Oc1c(CBr)cc(I)nc1Br 396178248 IFUVLKWGTFSNTB-UHFFFAOYSA-N 460.813 4.242 50 10 JIGE O=C(NNC(=O)c1cccc2cccnc12)N[C@@H](c1ccccc1)c1ccc2c(c1)CCCO2 730579952 CKGHURLCPGCSTP-DEOSSOPVSA-N 452.514 4.293 50 10 JIGE COc1ccccc1C=NNC(=O)c1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1 1084083813 KYHAJCLVKDFQCU-UHFFFAOYSA-N 471.966 4.079 50 10 JIGE Cc1ccc(C(C)C)c(OCC(=O)NN=Cc2c(C)nn(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2C)c1 1084100274 XSOUTHOYKBZQBK-UHFFFAOYSA-N 494.508 4.266 50 10 JIGE O=C(COc1ccc(-c2ccccc2)cc1Br)NN=Cc1ccc(O)c([N+](=O)[O-])c1 1772754075 JSNLRTYXTDBVLJ-UHFFFAOYSA-N 470.279 4.259 50 10 JIGE COc1ccc(C=NNC(=O)COc2ccc(Br)cc2C(C)C)cc1[N+](=O)[O-] 1772756001 XITCAGOVLHBVMD-UHFFFAOYSA-N 450.289 4.018 50 10 JIGE CCCOc1cccc(/C=N/NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1 1860773763 DOQLJAWHXRHABK-CUKDEJBRSA-N 452.580 4.083 50 10 JIGE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@H]2c1cc(Cl)c(O)c(OC)c1 1865706980 KKCKMCKXMAXZHI-GOSISDBHSA-N 452.898 4.164 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2Cl)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1865714435 KFRHWYDULZVTGI-OAHLLOKOSA-N 477.786 4.376 50 10 JIGE COc1ccccc1-c1ccc(C(=O)NNC(=O)CCC(=O)c2ccc(Cl)cc2)c(C)n1 1865760295 QSLQTXBUJJDPLH-UHFFFAOYSA-N 451.910 4.143 50 10 JIGE O=C(N[C@@H](CBr)C[C@@H]1CCOC1)c1csc(Br)c1Br 1883273300 DOGQOTDGAISSGJ-JGVFFNPUSA-N 476.028 4.193 50 10 JIGE O=S(=O)(N[C@@H](CCBr)COCc1ccccc1)c1ccc(Br)s1 1902798655 XYTGEUGUHAFLST-ZDUSSCGKSA-N 483.247 4.159 50 10 JIGE BrC[C@H]1CCCN1Cc1ccc(I)c(Br)c1 1904345184 DDSAXVYCTLTHHO-SNVBAGLBSA-N 458.963 4.413 50 10 JIGE CN(C[C@@H](Cl)COCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1F 1916333902 ZUDYLFFIZZSGQL-OAHLLOKOSA-N 450.757 4.033 50 10 JIGE CC1([C@H](Br)c2cc(Br)sc2Br)CS(=O)(=O)C1 1938938011 CSWXDPYSUURTAB-SSDOTTSWSA-N 453.015 4.144 50 10 JIGE C[C@H]1CCN(c2ncc(I)cc2Br)[C@@H]1CBr 1988540181 VWEKYXYDMUWXLC-OIBJUYFYSA-N 459.951 4.058 50 10 JIGE CC(C)(C)OC(=O)N1CC[C@](COCc2ccccc2)(C(=O)NC[C@H]2C[C@@H](Br)C2)C1 1991417532 FNXSUAGOLAIMOM-YYDVJCTNSA-N 481.431 4.120 50 10 JIGE CCOC(=O)Cc1cc(Br)c(CBr)cc1I 2054990616 BUMDPOILRJPWIC-UHFFFAOYSA-N 461.919 4.054 50 10 JIGE CCOc1cc(I)c(CBr)c(I)c1 2060219569 AXRADVOHADLTNR-UHFFFAOYSA-N 466.882 4.189 50 10 JIGE O=S(=O)(N[C@H](CCBr)C1CC1)c1cc(Br)ccc1Br 2090424549 CIDRGZWDVZAXFI-LLVKDONJSA-N 476.028 4.054 50 10 JIGE COCCN1C[C@H](Br)[C@H](Cc2ccc(Br)cc2Br)C1 2100729814 GOKOIOMHTYJSPN-RISCZKNCSA-N 456.016 4.096 50 10 JIGE CC[C@H](CSC)N(C)S(=O)(=O)c1cc(CBr)sc1Br 2123199988 ATTZWPYVNVFRNW-MRVPVSSYSA-N 451.271 4.168 50 10 JIGE CN(C[C@@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1csc(CBr)c1 2123236433 HKJKBXHBMXKJMS-KRWDZBQOSA-N 457.459 4.176 50 10 JIGE CO[C@@H]1CC(O[C@H](CI)c2ccc(Br)cc2)C[C@H]1OC 2166412540 DQYNOLVTKUMXEV-RBSFLKMASA-N 455.130 4.134 50 10 JIGE C[C@@H]1CN(Cc2ccccc2)CCCN1S(=O)(=O)c1cc(CBr)ccc1F 2179789438 QKQKFEDTGASUMC-MRXNPFEDSA-N 455.393 4.006 50 10 JIGE C[C@@H](Br)C[C@H]1COCCN1C(=O)c1ccc(Br)cc1Br 2185320122 VEWQXWSNMKFOEM-KOLCDFICSA-N 469.999 4.226 50 10 JIGE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(CBr)cc2)C[C@H]1C(F)(F)F 2186716659 VVMPUYZDPWXYNU-AWEZNQCLSA-N 451.283 4.205 50 10 JIGE O=S1(=O)C[C@H]2C([C@@H](Br)c3cc(Br)c(Br)cc3F)[C@@H]2C1 2225616933 KKTGRWUUDQDXSZ-QHMRUWFYSA-N 476.987 4.077 50 10 JIGE C[C@@](CBr)(NC(=O)Cc1cc(Br)cc(Br)c1)C1CC1 2277931208 ZJDMUMPTDZFKPA-AWEZNQCLSA-N 454.000 4.434 50 10 JIGE CC[C@H]1[C@@H](Br)CCN1S(=O)(=O)c1cc(Br)c(C)cc1Br 2288910294 PHTAMSAZLJYMNC-CABZTGNLSA-N 490.055 4.457 50 10 JIGE COc1cc(C=C(C#N)c2nn(-c3ccccc3)c(N)c2C#N)cc(Br)c1OCC#N 2296739207 DZHYVGPHUIUGSJ-UHFFFAOYSA-N 475.306 4.064 50 10 JIGE N#CC(=CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccc(S(=O)(=O)O)cc1 2318454458 YBQQWHWWBNKQTE-UHFFFAOYSA-N 479.358 4.429 50 10 JIGE O=C(N[C@H]1C[C@H](CBr)[C@H]2C[C@@H]12)c1ccc(I)c(Br)c1 2329873393 NEKANHNXQATWRK-PRFIWBCESA-N 498.984 4.203 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1CC[C@H]2C[C@]1(CBr)C2 2336562867 HHAZBVKFEFOCED-DEZZCRIOSA-N 454.533 4.334 50 10 JIGE NNC(=O)c1sccc1CSc1cc(I)ccc1Br 2338331542 UVKAWJCKPHUQGQ-UHFFFAOYSA-N 469.167 4.011 50 10 JIGE C[C@@H]1[C@H](C(F)(F)F)N(C[C@]2(CBr)CC2(F)F)CCN1C(=O)OC(C)(C)C 2351892829 UUVXYSPFJJEWMG-JTNHKYCSSA-N 451.274 4.279 50 10 JIGE CC[C@@]1(CBr)COCCN1Cc1cc(I)ccc1Cl 2352426215 QMSYTMDGKCTGIG-CQSZACIVSA-N 458.565 4.321 50 10 JIGE Cn1nc(Br)c(Br)c1C(=O)NC[C@H]1CCCC[C@H](Br)C1 2364227794 DNSFVASNDFYEFV-IUCAKERBSA-N 472.019 4.019 50 10 JIGE CCn1nc(Br)c(COc2c(F)cc(Br)cc2CBr)n1 2379957592 GQMCWKXMFZLGFF-UHFFFAOYSA-N 471.950 4.436 50 10 JIGE CC(C)CCOc1cccc(C(=O)NNC(=O)COc2ccc(Br)cc2Cl)c1 14644630 BCHQSBBVPBXENV-UHFFFAOYSA-N 469.763 4.367 50 10 JIGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)cc1 38658050 OKEKVILCTGSDRA-SANMLTNESA-N 499.479 4.362 50 10 JIGE CCOc1cc(/C=N/NC(=O)CSc2nnc(N)s2)ccc1OCc1cc(C)c(C)cc1C 40947215 YGKAXWOEKWFLGH-OPEKNORGSA-N 485.635 4.266 50 10 JIGE CCOc1c(OC)cc(/C=N\NC(=O)Cc2cc(Cl)ccc2SCC)cc1[N+](=O)[O-] 169922355 LMEBOSLVQQNWLI-UUYOSTAYSA-N 451.932 4.460 50 10 JIGE CCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2)cc1OC 206699606 OTDFHZHPGCSANL-VOKWCDJLSA-N 497.507 4.423 50 10 JIGE O=S(=O)(NC[C@H]1CCC[C@@H](Br)C1)c1cc(Cl)c(Br)s1 227806202 VNGKOSOKIMHNPN-JGVFFNPUSA-N 451.633 4.396 50 10 JIGE CC(=NNC(=O)[C@H](O)c1ccccc1)c1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1 254398412 CBGHTDWUHQODAZ-OAHLLOKOSA-N 479.352 4.032 50 10 JIGE COc1cccc(CO[C@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)c1 310598697 NHCAJOXQAMLOCA-IBGZPJMESA-N 461.340 4.417 50 10 JIGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)c1nnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1C 726138085 KNFGLUKRRXOKSR-UHFFFAOYSA-N 471.514 4.014 50 10 JIGE COC(=O)c1ccc(C)c(NC(=O)[C@H](C)OC(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)c1 855279650 BKWQZEVDHOMMLX-QKXOWGBTSA-N 465.550 4.333 50 10 JIGE CC(=NNC(=O)c1cc(Br)cn1C)c1cccc(OCc2cn3ccccc3n2)c1 915958434 DRHIHWAWFYBSEY-UHFFFAOYSA-N 466.339 4.168 50 10 JIGE COc1ccc(COC(=O)NN=Cc2ccccc2OS(=O)(=O)c2ccc(C)cc2)cc1 1083974694 FXPWDBBWEIUXGJ-UHFFFAOYSA-N 454.504 4.032 50 10 JIGE COc1cc(/C=C(\C#N)C(=O)N(C)C)cc(I)c1OCc1ccccc1F 1084288406 CSLLZLKEWJGEQQ-OVCLIPMQSA-N 480.277 4.013 50 10 JIGE CCOc1ccc(C=NNC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)cc1 1084438841 QCTWVEHUXJLMDC-UHFFFAOYSA-N 471.966 4.084 50 10 JIGE COc1ccc(C(=O)NNC(=O)c2oc3c(c2C)C(=NNc2ccccc2)CC(C)(C)C3)cc1 1772729641 YVFKHQHVEGHBEO-UHFFFAOYSA-N 460.534 4.460 50 10 JIGE COc1ccc(OC)c(NC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2ccccc2)CCC3)c1 1772748318 KLTOLKZFWWBPAY-UHFFFAOYSA-N 461.518 4.257 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1865680689 SFIOSYJOJYAFBN-MRXNPFEDSA-N 462.815 4.233 50 10 JIGE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(OC)c(OC)c1)C(C#N)=C(N)O2 1865708048 MSJCXDPYLWHUIG-NRFANRHFSA-N 450.926 4.383 50 10 JIGE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(OC)cc1OC)C(C#N)=C(N)O2 1865708488 XWOKQKQGYGIOAA-OAQYLSRUSA-N 450.926 4.383 50 10 JIGE CC1=C(Br)CCN(S(=O)(=O)c2cc(CBr)sc2Br)C1 1893042322 PJOGSWLTYDXSIE-UHFFFAOYSA-N 494.068 4.469 50 10 JIGE CN(C[C@@H]1CCC[C@@H]1Br)c1ncc(I)cc1Br 2015761720 ATXKPRIBCOFUKY-WPRPVWTQSA-N 473.978 4.449 50 10 JIGE COc1ccccc1[C@H](CI)OCCOCCOCc1ccccc1 2056734207 SPNSEDOQOJOGRZ-FQEVSTJZSA-N 456.320 4.421 50 10 JIGE O=C(CCl)c1c(I)ccc(C(F)F)c1I 2060384228 NMXCVSSVDFDGEG-UHFFFAOYSA-N 456.395 4.255 50 10 JIGE O=S(=O)(N[C@@H](CBr)C1CC1)c1c(Cl)cc(Br)cc1Cl 2094136521 MMGWUBSHHLHAIZ-JTQLQIEISA-N 451.995 4.208 50 10 JIGE O=C(c1sccc1I)N1CC[C@](CBr)(C(F)(F)F)C1 2111395328 XQHXMMKUROTPAV-SNVBAGLBSA-N 468.076 4.142 50 10 JIGE O=C(c1sccc1I)N1C[C@H](CBr)C2(CCCC2)C1 2118596083 BFGZNQOMKPEDBI-JTQLQIEISA-N 454.171 4.380 50 10 JIGE BrC[C@@H]1CO[C@H]2CN(Cc3cccc(Br)c3Br)C[C@H]12 2121592319 LOLYYEVXCUJXJY-WZRBSPASSA-N 454.000 4.053 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@@H]2CC(Br)C[C@H]2C1 2128654562 IAKBUFLXLJYHQG-IUCAKERBSA-N 498.984 4.299 50 10 JIGE CC[C@H](C)[C@H](CI)NS(=O)(=O)c1ccc(Br)cc1Cl 2136492386 MAILDDIYSVURLV-KWQFWETISA-N 480.593 4.231 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@@H]2C[C@H](C[C@@H]2Br)C1 2163569103 RFDATURUJJAHDC-PTRXPTGYSA-N 488.039 4.006 50 10 JIGE CC[C@]1(CBr)COCCN1C(=O)c1ccc(Br)cc1Br 2169033685 PKLBPZZAGQPBBT-AWEZNQCLSA-N 469.999 4.228 50 10 JIGE CCN([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(CBr)cc1F 2179787320 NDQHECAVOBJWSY-SFHVURJKSA-N 455.393 4.006 50 10 JIGE CC1(C)CN(Cc2ccccc2)CCN1S(=O)(=O)Cc1cccc(CBr)c1 2179789841 WOJLQBRPTDMGCK-UHFFFAOYSA-N 451.430 4.008 50 10 JIGE C[C@@H](c1nccs1)N(C)S(=O)(=O)c1cc(CBr)sc1Br 2179790562 GCJIWJYKBDGURU-ZETCQYMHSA-N 460.238 4.244 50 10 JIGE COCCCCN(Cc1ccccc1)S(=O)(=O)c1ccc(OC)c(CBr)c1 2179858597 QNTMDZYUPYLVNW-UHFFFAOYSA-N 456.402 4.208 50 10 JIGE O=C(c1csc(I)c1)N1C[C@H]2CCCC[C@]2(CBr)C1 2230577643 GFAIVYIZVKSXOO-RISCZKNCSA-N 454.171 4.380 50 10 JIGE CC(C)(C)OC(=O)N1CC[C@H](C(F)(F)F)N(CCCCI)CC1 2243586286 NYBFVUKNVSZHJY-GFCCVEGCSA-N 450.283 4.075 50 10 JIGE O=C(C=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)NNC(=O)c1ccccc1Br 2314478109 QCSOTQWLSUJODS-UHFFFAOYSA-N 456.252 4.092 50 10 JIGE COCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(C)cc2)C(C)=C(C#N)C1=O 2314618943 XEOCCELYOYNVFC-UHFFFAOYSA-N 466.541 4.477 50 10 JIGE CC(=O)Nc1cccc(NC=C(C#N)C(=O)Nc2ccc(I)cc2C)c1 2325406475 QEWPWVFSSCESLF-UHFFFAOYSA-N 460.275 4.016 50 10 JIGE Cc1cccc(Br)c1C(=O)NCC(F)(F)C(F)(F)CI 2361686566 JBDSGFHZIHMLPZ-UHFFFAOYSA-N 468.026 4.193 50 10 JIGE Cc1c(C(=O)N2CCc3ccccc3C2)oc2c1/C(=N/NC(=O)COc1ccccc1)CCC2 40816125 AUGMIMAUEBBTDQ-XAYXJRQQSA-N 457.530 4.022 50 10 JIGE O=C(CSc1nc2ccccc2s1)N/N=C/c1cc(Br)c(N2CCCC2)o1 59302456 CBFFNMHDNQRPRT-KEBDBYFISA-N 465.398 4.494 50 10 JIGE CN([C@H]1CCCC[C@@H]1Br)S(=O)(=O)c1cc(Cl)c(Br)s1 158184102 XSDKJANRAFBDTQ-CBAPKCEASA-N 451.633 4.491 50 10 JIGE O=C(c1cc(Br)c(Br)s1)N(CCBr)CC(F)F 231549082 MFXKOLWHVOXIMP-UHFFFAOYSA-N 455.944 4.375 50 10 JIGE CC(C)S(=O)(=O)CCOc1c(Br)cc(Br)cc1CBr 311926000 FOTMEQYSHVVQRR-UHFFFAOYSA-N 479.028 4.309 50 10 JIGE Brc1ccc([C@H]2CN(Cc3ccccc3)C[C@H]2CI)nc1 394647541 SJVROPWRGGBRIZ-ZBFHGGJFSA-N 457.153 4.495 50 10 JIGE C[C@H](NC(=O)c1ccc(I)c(Br)c1)[C@@H](C)CBr 721591679 DOHMRELWJHZWBN-YUMQZZPRSA-N 474.962 4.203 50 10 JIGE C[C@@H]1CN(C(=O)c2ccc(I)c(Br)c2)C[C@]1(C)CCl 721619487 GRPSJOYQRMKBMI-OTYXRUKQSA-N 456.549 4.391 50 10 JIGE Cc1cc(/C=C(\C#N)C(=O)N2CCC[C@H](CN3CCCCCC3)C2)c(C)n1C[C@H]1CCCO1 728530052 BRBRYTDNBNGZAJ-CKLPJJMUSA-N 452.643 4.306 50 10 JIGE CC(=O)N(c1ccc(F)cc1)c1nc(C=NNC(=O)c2ccccc2Br)cs1 917530756 ZHCFWCAISPTPEI-UHFFFAOYSA-N 461.316 4.493 50 10 JIGE Cc1ccc(N(CC(=O)NN=Cc2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084244684 KGYMAXCRNOWNJN-UHFFFAOYSA-N 459.930 4.133 50 10 JIGE C#CCCCC(=O)NNC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1597394330 YGWIKBNNINAFHO-UHFFFAOYSA-N 451.426 4.329 50 10 JIGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)cc1 1658704486 ZJLXRZPINYMWDL-MRXNPFEDSA-N 458.946 4.153 50 10 JIGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccn2)ccc1O 1865681215 HYLISBJCVFUKNK-QHCPKHFHSA-N 481.512 4.265 50 10 JIGE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1cccc(OC)c1OC)C(C#N)=C(N)O2 1865700910 HOIYMRNIAHJORG-FQEVSTJZSA-N 450.926 4.383 50 10 JIGE CC(C)[C@H](CCl)N(Cc1ccccc1)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1915280289 KRNZOYFAVZOJPM-QFIPXVFZSA-N 477.026 4.158 50 10 JIGE O=C(c1cc(Br)c(Cl)s1)N1C[C@H](Br)[C@@H](Br)C1 1990930926 DYTMCUSXAMRVDZ-WDSKDSINSA-N 452.393 4.147 50 10 JIGE CCOC(=O)c1cc(I)c(CBr)cc1OC(F)(F)F 2055277276 JSBOTKKHXHWZKT-UHFFFAOYSA-N 452.992 4.261 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CCC=C[C@@H]1CBr 2061971069 AFJZFNJWEMVPEA-SNVBAGLBSA-N 484.957 4.219 50 10 JIGE O=C(c1ccc(Br)cc1Br)N1C[C@@H](Br)[C@@H](C2CC2)C1 2090686027 SUVZACFPHXFUEY-DGCLKSJQSA-N 451.984 4.457 50 10 JIGE O=C(c1c(Br)cccc1Br)N1C[C@H](Br)[C@H](C2CC2)C1 2094098853 JBDAAFNFTIGVSM-CABZTGNLSA-N 451.984 4.457 50 10 JIGE C[C@@]12CN(C(=O)c3cc(Br)ccc3I)C[C@]1(CCl)C2 2109180929 CNUCASWLUGDQSA-ZIAGYGMSSA-N 454.533 4.145 50 10 JIGE Cc1sc(Br)cc1S(=O)(=O)N1CC(F)(F)C[C@]1(C)CBr 2159047816 YJNMBGUIPAZWSS-SNVBAGLBSA-N 453.168 4.002 50 10 JIGE CN([C@H](CCBr)C(F)F)S(=O)(=O)c1ccc(Cl)c(Br)c1 2178521736 WZAWLBBQDUDWTQ-SNVBAGLBSA-N 455.546 4.142 50 10 JIGE C[C@@H]1C[C@H](N(C)S(=O)(=O)c2ccc(CBr)cc2F)CN1Cc1ccccc1 2179790833 JHNJTASTXNUPQK-QAPCUYQASA-N 455.393 4.004 50 10 JIGE CCCn1cc(S(=O)(=O)N(Cc2ccccc2)C(C)(C)COC)cc1CBr 2179860551 UBGVJYUSNNMDRG-UHFFFAOYSA-N 457.434 4.409 50 10 JIGE Cc1nn(C)c(Br)c1CC(CBr)(CBr)C1CCOCC1 2185793562 DQDUKUYGBXXUBP-UHFFFAOYSA-N 473.047 4.236 50 10 JIGE O=C(c1ccc(I)c(O)c1)N1CCC[C@H](CCCBr)C1 2234181484 LJZUYWPGJYYNAK-NSHDSACASA-N 452.130 4.024 50 10 JIGE C=CC[C@@]1(CBr)CCCN1C(=O)c1cc(I)ccc1F 2287781711 HABLZUICIYPIQA-HNNXBMFYSA-N 452.105 4.376 50 10 JIGE COc1ccc(NC(=O)C(C#N)=Cc2cc(OC)c(O)c(Br)c2Br)cc1 2313511028 JRCZCQVFIQQPAH-UHFFFAOYSA-N 482.128 4.480 50 10 JIGE COc1cc(C=NNC(=O)COc2ccc3c(C)cc(=O)oc3c2)ccc1OCc1ccccc1 2328804101 HYDPNGZMFPKGAV-UHFFFAOYSA-N 472.497 4.218 50 10 JIGE N#CC(=C(O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2cccc(Cl)c2)cs1 2331294463 UFKTZLLUHVLMMF-UHFFFAOYSA-N 466.862 4.461 50 10 JIGE C=CC[C@H](Br)[C@H]1CCN1C(=O)c1cc(Cl)ccc1I 2335816333 CIWBJYNRKSNALH-WCQYABFASA-N 454.533 4.499 50 10 JIGE Cl[C@@H]1CO[C@]2(CCN(Cc3ccc(I)c(Br)c3)C2)C1 2349836203 ZAMIQYYRAMOOSB-SMDDNHRTSA-N 456.549 4.026 50 10 JIGE Cn1nc(Br)c(Br)c1C(=O)N[C@H]1C[C@H](Br)CC(C)(C)C1 2364015772 SIPSBYBQUDVFCL-YUMQZZPRSA-N 472.019 4.017 50 10 JIGE CN(C(=O)c1c(Br)c(Br)nn1C)[C@H]1CCCCC[C@H]1Br 2364230141 IQEVEXURJJBHMO-BDAKNGLRSA-N 472.019 4.113 50 10 JIGE CCCCOc1cccc(C(=O)NC(=S)NNC(=O)c2ccccc2OCc2ccccc2)c1 14041984 WHPMATDBGBLNGV-UHFFFAOYSA-N 477.586 4.394 50 10 JIGE Cc1ccc(NC(=O)CCC(=O)NNC(=O)c2cc(Br)ccc2OCC(C)C)c(C)c1 14666931 HKPIROKDDWJBRQ-UHFFFAOYSA-N 490.398 4.281 50 10 JIGE COc1ccc(-c2nnc(SCC(=O)N/N=C/C=C\c3ccco3)n2-c2ccccc2)cc1 19849255 JAOQHXDFUUQYHA-MPVXGRFSSA-N 459.531 4.443 50 10 JIGE O=C(Cc1ccc([N+](=O)[O-])cc1)NNc1ncnc(Nc2ccc(Cl)cc2Cl)c1[N+](=O)[O-] 40650221 TZUKQSDFKZUNJV-UHFFFAOYSA-N 478.252 4.029 50 10 JIGE Cc1cc(OCC(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2)ccc1Cl 40929579 DGYGSAHHRBINSQ-LDADJPATSA-N 450.878 4.449 50 10 JIGE COC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2cc(Br)ccc2OC)c(OC)c1 40948826 QMYQUWUHOJPLAR-KSHOZRLPSA-N 472.291 4.165 50 10 JIGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)CCc1ccc(C(C)(C)C)cc1 41018922 HHSDJYQUHNNQHZ-OQKWZONESA-N 476.573 4.297 50 10 JIGE COc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)ccc1OCc1cccc([N+](=O)[O-])c1 58889690 HUIKWCMQQYCIQD-JMTCZITHSA-N 463.490 4.146 50 10 JIGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(F)cc3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242289 FWFYJKKTYRNJEE-CKVBZJJFSA-N 477.517 4.170 50 10 JIGE CCCCCCOc1ccc(/C=N\NC(=O)CCc2nc3ccccc3nc2O)cc1OC 169887267 NHJMFFKQNRXDAY-ONUIUJJFSA-N 450.539 4.386 50 10 JIGE COC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C\c2ccc(OC(C)C)c(OC)c2)c(OC)c1 207008074 LSAOEFZMOQEPLX-KFTIJMADSA-N 451.475 4.190 50 10 JIGE CCCCCCn1c(=O)c(C(=O)NN=C(C)c2c(O)nc3ccccc3c2O)c(O)c2ccccc21 253531719 ARXIIQNGPOYGRZ-UHFFFAOYSA-N 488.544 4.401 50 10 JIGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(C)o3)n2-c2ccccc2)cc1OC 254619254 MCJHRRMOSGSDOR-UHFFFAOYSA-N 477.546 4.095 50 10 JIGE COc1cc(C=NNC(=O)C(=O)Nc2cccc3ccccc23)ccc1OC(=O)c1ccccc1 254709148 CTOBICNERLGXRW-UHFFFAOYSA-N 467.481 4.156 50 10 JIGE C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)NN=Cc2ccc(Br)cc2)cc1 254722185 XSPUKAGVZKGBAR-CALCHBBNSA-N 472.383 4.381 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2C[C@H](C)[C@@H](CBr)C2)cc1Br 709241486 VPBHQKLXZWASSQ-UWVGGRQHSA-N 490.055 4.172 50 10 JIGE C[C@@]1(CBr)CCN(C(=O)c2ccc(I)c(Br)c2)C1 721586046 HZZQTINPDBFDGA-ZDUSSCGKSA-N 486.973 4.301 50 10 JIGE CC(C)NC(=O)NNC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc([N+](=O)[O-])cc1)CCC2 745139370 CZSVCHSNNKYFRI-VKAVYKQESA-N 459.506 4.372 50 10 JIGE C=CCOc1ccccc1C=NNC(=O)COc1ccc(Br)cc1Br 1083960324 SWHWVWDYNUPVMY-UHFFFAOYSA-N 468.145 4.306 50 10 JIGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cccc3ccccc23)Cc2ccccc2)cc1 1084487538 MJHRLCUEYMDQTA-UHFFFAOYSA-N 471.582 4.489 50 10 JIGE CC(=O)CC(C)(C)CC(=O)NNC(=O)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1 1290216945 OGHZAVBZXOFWCA-UHFFFAOYSA-N 457.530 4.157 50 10 JIGE C=C(CBr)CN[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1c1ccc(OC)c(F)c1 1460389592 KCESKQMRKIZJAT-WMZOPIPTSA-N 457.384 4.468 50 10 JIGE COc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc([N+](=O)[O-])c2)CCC3)cc1 1772746077 OVDOTYKTUYTFSX-UHFFFAOYSA-N 462.462 4.228 50 10 JIGE CC(C)Oc1cccc(/C=N/NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1 1860773567 AOTGXELYIYESOF-NFDIJNIYSA-N 452.580 4.081 50 10 JIGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@H](c2ccc(O)cc2O)C(C#N)=C(N)O3)cc1 1865681844 YLSARFNODPPGKV-HSZRJFAPSA-N 466.497 4.236 50 10 JIGE CC(C)CSc1ccccc1C(=O)NNC(=O)[C@@H](C)n1cnc2sc3c(c2c1=O)CC[C@H](C)C3 1865852000 MQBQEAZAEPXMJG-JKSUJKDBSA-N 498.674 4.353 50 10 JIGE CN(C[C@H]1C[C@H](Br)C1)S(=O)(=O)c1cc(Br)ccc1Br 1887912737 RQESOJHEDKWCOO-CZMCAQCFSA-N 476.028 4.006 50 10 JIGE CC(C)[C@@H](CI)NCc1cc(I)ccc1Cl 1905045601 XWDSGYKMEGNALA-GFCCVEGCSA-N 463.528 4.494 50 10 JIGE C[C@H]1CN(c2ncc(I)cc2Br)C[C@@H](C)[C@@H]1Br 2015759346 VBBHJFRXXWRMRN-VROVMSAKSA-N 473.978 4.304 50 10 JIGE O=C(NCC[C@H](Br)C1CC1)c1ccc(I)c(Br)c1 2029913507 DSYHBMVHWKNYDS-JTQLQIEISA-N 486.973 4.347 50 10 JIGE CCN(C[C@@](C)(CI)OC[C@H](C)N1CCCCC1)C(=O)OC(C)(C)C 2066643503 ACVWYDIOZZTIHZ-QFBILLFUSA-N 468.420 4.328 50 10 JIGE C[C@H]1CN(C(=O)c2ccc(Br)cc2I)CC[C@@H]1Br 2086147540 OIIPCBDUBFJQAL-KWQFWETISA-N 486.973 4.299 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1C[C@@H](Br)[C@H](C2CC2)C1 2090685448 PEZJPTTVZLJPCW-WDEREUQCSA-N 454.533 4.190 50 10 JIGE C[C@H]1C[C@@H](CBr)CN1S(=O)(=O)c1cc(Br)ccc1Br 2100319083 UKMQGFJKHYKQLZ-IUCAKERBSA-N 476.028 4.006 50 10 JIGE Cc1c(CBr)cc(Cl)cc1S(=O)(=O)N1CCN(Cc2ccccc2)CC1 2123268159 KKXFEAWZXDTGSD-UHFFFAOYSA-N 457.821 4.050 50 10 JIGE O=C(N[C@@H]1C[C@H]2C[C@H]1C[C@H]2Br)c1ccc(Br)cc1I 2142284554 DTFHBZDZORFUSQ-LVNATWPUSA-N 498.984 4.346 50 10 JIGE C[C@@H]1CN(C(=O)c2ccc(Br)cc2I)C[C@@H](C)C1Cl 2142289752 UACWCZNBWRYTDH-RKDXNWHRSA-N 456.549 4.389 50 10 JIGE CN(C[C@H]1C[C@@H](Br)C1)C(=O)[C@H]1C[C@H](C(F)(F)F)CCN1C(=O)OC(C)(C)C 2196908398 XIFWBJLOQHJJMO-YIYPIFLZSA-N 457.331 4.196 50 10 JIGE O=C(N[C@@H]1COC2(CCC2)[C@@H]1Br)c1cc(Br)ccc1Br 2206484171 HQEJZLFKVBUPLZ-VXGBXAGGSA-N 467.983 4.026 50 10 JIGE O=S(=O)(N[C@]1(CBr)C[C@H]2CC[C@H]1C2)c1cc(Cl)c(Br)s1 2283855799 WAFQDNZIADRBRK-UBJUHAIHSA-N 463.644 4.396 50 10 JIGE N#CC(=Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 2293034825 SOLTZFYKIZUTEG-UHFFFAOYSA-N 471.538 4.491 50 10 JIGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2c(F)cccc2Cl)cc1 2295489461 DOSRTRGBZWZGCB-UHFFFAOYSA-N 464.928 4.466 50 10 JIGE Cc1ccc(C=C(C#N)C(=O)N[C@H](CC(=O)OCc2ccccc2)C(=O)OCc2ccccc2)cc1 2329622767 OXGAAJPWRQVDIK-AREMUKBSSA-N 482.536 4.264 50 10 JIGE O=C(N[C@H]1C[C@@H](CBr)[C@@H]2C[C@H]12)c1cc(Br)ccc1Br 2329871266 LOKCHAMTCPROQZ-PYSAPBNWSA-N 451.984 4.361 50 10 JIGE CC[C@@H](C)[C@@H](C(=O)Nc1sc(C(C)=CC#N)c(C)c1C(=O)OC)N1C(=O)c2ccccc2C1=O 2331562128 ICDMIJKWHYCSOI-YJYMSZOUSA-N 479.558 4.419 50 10 JIGE O=C(N[C@H]1CC[C@@H]2C[C@]12CBr)c1cc(Br)ccc1I 2331771800 LWCTWJLLFYOBFJ-CWONEXCFSA-N 498.984 4.347 50 10 JIGE O=C(N[C@H](CCBr)C(F)(F)F)c1ccc(Cl)cc1I 2340062599 BIKYPJKYOQHEOF-SECBINFHSA-N 470.454 4.390 50 10 JIGE CN([C@H]1CCCCC[C@H]1Br)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364205949 OYZGBLJCNFQKNO-UXHICEINSA-N 499.471 4.201 50 10 JIGE Cc1sc2ncn(CC(=O)N/N=C/c3ccc(Br)cc3)c(=O)c2c1-c1ccccc1 958210 ZKPQHZJDWVPXQE-OPEKNORGSA-N 481.375 4.346 50 10 JIGE O=C(NC1CCCC1)[C@H](c1ccc(Cl)cc1)N(Cc1ccc2c(c1)OCO2)C(=O)CCl 3039492 ICSNBMFXVJDFHQ-QFIPXVFZSA-N 463.361 4.436 50 10 JIGE CC(C)CCOc1cccc(C(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)c1 14644992 JBVWXYBKWPOZEY-SFHVURJKSA-N 479.602 4.368 50 10 JIGE C=CCOc1ccccc1/C=N/NC(=O)CCCCCC(=O)N/N=C/c1ccccc1OCC=C 34864073 NPDPITWTMKRHAM-IABPKXMJSA-N 476.577 4.367 50 10 JIGE COc1cc(/C=C(/C#N)c2nc(O)c3ccccc3n2)ccc1OCC(=O)Nc1ccccc1 34988294 PBDMEOBANFTLJY-AQTBWJFISA-N 452.470 4.426 50 10 JIGE CCc1ccc(Nc2ncnc(NNC(=O)c3ccccc3Br)c2[N+](=O)[O-])cc1 40587343 ONFKTBBULDPXOW-UHFFFAOYSA-N 457.288 4.210 50 10 JIGE COCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)C1=O 101335238 PKICVQCUGLFQPK-HYARGMPZSA-N 472.932 4.431 50 10 JIGE COCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)C1=O 101335508 MZHVAPOLOFLMLV-UDWIEESQSA-N 466.921 4.166 50 10 JIGE CC(=O)OCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccccc3Cl)cc2)C1=O 101341187 YGLWRIXJVKRSPA-FYJGNVAPSA-N 464.905 4.074 50 10 JIGE Cc1c(Br)cc(CCl)cc1S(=O)(=O)N1CCCN(Cc2ccccc2)CC1 323916899 LHMVFGPRLDWGPW-UHFFFAOYSA-N 471.848 4.393 50 10 JIGE CN1C[C@@H](CI)[C@H](c2cc(Br)ccc2Br)C1 394605953 HGHLWGZWCWAKDV-LDYMZIIASA-N 458.963 4.292 50 10 JIGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)c1nn(-c2ccccc2C(F)(F)F)c(C)cc1=O 746183006 VLQZIGGDZZVPKP-UHFFFAOYSA-N 459.380 4.416 50 10 JIGE O=C(COc1ccc(C=NNC(=O)c2ccc(Cl)cc2Cl)cc1)NCc1ccccc1 1084091192 XMCJRCZFILLZKH-UHFFFAOYSA-N 456.329 4.453 50 10 JIGE O=C(COc1ccc2cc(Br)ccc2c1Br)NN=Cc1cccnc1 1084287913 WUQRARCTBWRMIP-UHFFFAOYSA-N 463.129 4.289 50 10 JIGE O=C(NCCc1coc(-c2ccccc2)n1)NNC(=O)c1ccccc1OCc1ccc(F)cc1 1251510015 FOULHANXBNAKII-UHFFFAOYSA-N 474.492 4.246 50 10 JIGE COc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccs2)CCC3)c(OC)c1 1772748184 AOEIUZWSSOLDBO-UHFFFAOYSA-N 453.520 4.389 50 10 JIGE COc1ccc(NC(=O)[C@@H](C)Oc2cccnc2NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1OC 1858683974 CFCDSPZMLWHAKQ-CQSZACIVSA-N 482.449 4.024 50 10 JIGE O=C(c1ccc(F)cc1I)N1CC[C@]2(CCC[C@@H]2Br)C1 1918942648 YEPDJZBGEOPTIO-DZGCQCFKSA-N 452.105 4.210 50 10 JIGE CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)C[C@@H](CBr)C2CCC2)C1 1959569209 OKCPVWQZGMTNQF-HXUWFJFHSA-N 467.448 4.282 50 10 JIGE C[C@@H]1C[C@@H](CBr)CN1C(=O)c1cc(Br)ccc1I 2038891541 UHHJINLFAOTSAI-BDAKNGLRSA-N 486.973 4.299 50 10 JIGE C[C@@]1(NC(=O)c2cc(I)ccc2Br)CCC[C@@H]1Br 2062574542 TWGGXJXBRKICKB-WCQYABFASA-N 486.973 4.490 50 10 JIGE O=C(c1c(Br)cccc1Br)N1C[C@H]2[C@H](Br)CC[C@H]2C1 2094095672 OQARVWIASPOVDG-IVZWLZJFSA-N 451.984 4.457 50 10 JIGE O=S(=O)(N[C@@H]1CC[C@@H](Br)C1)c1c(Cl)cc(Br)cc1Cl 2121472503 FCZWKBKKKYAUGQ-HTRCEHHLSA-N 451.995 4.350 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CC[C@@H](Cl)[C@H]1C1CC1 2130609063 XAQUFDTZAKSLOX-CHWSQXEVSA-N 454.533 4.286 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@H](Br)[C@H](C2CC2)C1 2146835305 VDAGQSZBHDVLHW-JQWIXIFHSA-N 488.039 4.006 50 10 JIGE C[C@@H]1CC[C@H](CBr)N(S(=O)(=O)c2cc(Br)ccc2Br)C1 2166915029 HPFDSYLDASHPMC-MWLCHTKSSA-N 490.055 4.396 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)NCCC(F)(F)CCl)cc1Br 2184628730 LIGHLDKDRJKTHQ-UHFFFAOYSA-N 455.546 4.063 50 10 JIGE CC(C)(C)OC(=O)NCC1CC([S@](C)(=O)=NC(=O)c2ccc(CBr)cc2)C1 2192626558 QTSUJUYITGJSKC-JQEWTOSISA-N 459.406 4.123 50 10 JIGE C[C@H](Br)c1cn(-c2ccc(Br)cc2I)nn1 2212574946 SVVUXBKLBLFRBP-LURJTMIESA-N 456.907 4.090 50 10 JIGE C[C@]1(CBr)C=CCCN1c1ncc(I)cc1Br 2246368959 PUWPEIPYZMYMNB-GFCCVEGCSA-N 471.962 4.369 50 10 JIGE CNC(=O)C(C#N)=C1S[C@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(OC)cc1 2314593758 SGXKNSLQERDQSS-GOSISDBHSA-N 462.358 4.174 50 10 JIGE CCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(Br)c(C)c2)c(OC)c1 2314737400 HIFUXIBYWQRRFF-UHFFFAOYSA-N 487.350 4.184 50 10 JIGE COc1ccc(-c2csc(C(C#N)=C(O)CNC(=O)c3cc(OC)c(OC)c(OC)c3)n2)cc1 2331273479 HCDXIYLVZQESTQ-UHFFFAOYSA-N 481.530 4.067 50 10 JIGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N(CCBr)c1ccccc1 2364204696 GJELJFFPSLLWBK-UHFFFAOYSA-N 493.423 4.074 50 10 JIGE CC1(C)CCCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)[C@@H]1CBr 2364214468 GRAGLIJJWFUDEJ-LJQANCHMSA-N 499.471 4.058 50 10 JIGE Cc1ncnc(N2[C@H]3CC[C@H]2CC(C[C@@H](C)Br)C3)c1I 2366972995 NYZZEJDSXQONJQ-ICCXJUOJSA-N 450.162 4.311 50 10 JIGE ClC[C@@H]1CN(Cc2ccc(I)c(Br)c2)CC2(CCC2)O1 2377335483 SRKGHJSNIPRQES-GFCCVEGCSA-N 470.576 4.416 50 10 JIGE C[C@@H](Oc1ccc(Cl)cc1)C(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 14007505 MGFJSVCONKHHCE-CYBMUJFWSA-N 483.790 4.394 50 10 JIGE O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1cccc(NC(=O)c2ccccc2Br)c1 38174010 BZTJDQINNAMZJE-FSJBWODESA-N 483.278 4.079 50 10 JIGE COC(=O)c1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1cccs1)CCC2 40823714 GBBGCTYEFVIHDN-PCLIKHOPSA-N 451.504 4.159 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)NC[C@H]2CCC[C@H]2Br)cc1Br 136553881 QQTGPFWIFRSMRX-NXEZZACHSA-N 490.055 4.362 50 10 JIGE CCC(CBr)(CBr)NC(=O)c1ccc(Br)cc1OC 232856543 JEWRXLFNWYIZCG-UHFFFAOYSA-N 457.988 4.126 50 10 JIGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccccc3F)n2-c2ccccc2)cc1 254382547 DAXPLJUSBGHBRY-UHFFFAOYSA-N 461.522 4.324 50 10 JIGE CC[C@H](NS(=O)(=O)c1cc(Br)c(C)cc1Br)[C@H](C)Br 386707731 OQYICEJCLOWVII-KWQFWETISA-N 478.044 4.360 50 10 JIGE O=C(NC1CCOCC1)[C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725237623 KYNZAKPTDOVAMF-SFHVURJKSA-N 460.905 4.375 50 10 JIGE Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(S(=O)(=O)C[C@H]3CCCO3)cc2)c(C)n1CC(C)C 731338019 LKCYJHWPDQKCNH-FJWZAKCXSA-N 469.607 4.259 50 10 JIGE Cc1cc(/C=C(/C#N)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2=O)c(C)n1-c1ccc(F)cc1 743720568 FUPVDHUYBCAPDQ-BQKWAYIGSA-N 456.521 4.058 50 10 JIGE COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c1C 1084014010 HEVCOFLOQGOIHI-CJLVFECKSA-N 485.544 4.267 50 10 JIGE Cc1ccc(NC(=O)COc2ccc(C=NNC(=O)C(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1 1084387938 AJQBBZALOQLFAL-UHFFFAOYSA-N 498.461 4.120 50 10 JIGE COc1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)c(OC)c1 1614806392 JQSLOEPEWBHHAR-VQIMIIECSA-N 481.330 4.491 50 10 JIGE Cc1sc2ncn(CC(=O)NNC(=O)c3cc(Cl)cc(Cl)c3)c(=O)c2c1-c1ccccc1 1860769808 IMNCQUXWDVYLMH-UHFFFAOYSA-N 487.368 4.201 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Br)cc2)[C@H]1c1ccco1 1865698442 TZSYLPXDDWFLMX-CYBMUJFWSA-N 451.202 4.465 50 10 JIGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1cc(OC)c(O)c(OC)c1)C(C#N)=C(N)O2 1865714691 NPYCKMBKSRGISM-OAQYLSRUSA-N 480.952 4.478 50 10 JIGE CC(C)c1ccc(S(=O)(=O)c2ccc(NNC=C3C(=O)OC(=O)c4ccccc43)cc2)cc1 2042447201 SNKHYLOIRAYMFR-UHFFFAOYSA-N 462.527 4.297 50 10 JIGE O=C(CBr)c1cc(I)c(C(F)(F)F)cc1OC(F)F 2060376345 DHODWIJDPZQLTR-UHFFFAOYSA-N 458.946 4.489 50 10 JIGE CC(C)(C)OC(=O)NCCC(CCNC(=O)OC(C)(C)C)NC(=O)c1ccc(CCl)cc1 2084886844 WKTRTIPAPDZNQE-UHFFFAOYSA-N 470.010 4.353 50 10 JIGE Cn1ncc([C@H](Br)c2cc(Br)c3c(c2)CCO3)c1I 2090461450 QSKBKSHXVQGZND-LLVKDONJSA-N 497.956 4.206 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@@H](Br)C2(CCC2)C1 2108694467 JUYHCMHLTQPHTO-GFCCVEGCSA-N 498.984 4.443 50 10 JIGE CC1(C)CCC[C@@]1(CBr)NC(=O)c1cc(I)ccc1O 2150545351 MLOCGMGACCHKAU-HNNXBMFYSA-N 452.130 4.070 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@H](Br)[C@H](C2CC2)C1 2295310014 QRNYIXXYWBIOKZ-KBPBESRZSA-N 466.011 4.386 50 10 JIGE N#CCOc1c(Cl)cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1Br 2313568674 XWPFMWGLRHXEPD-UHFFFAOYSA-N 485.769 4.261 50 10 JIGE C[C@@H](Br)C[C@@H]1COCCN1Cc1ccc(Cl)cc1I 2341009306 JJLVNJRMHJDMTR-ZWNOBZJWSA-N 458.565 4.319 50 10 JIGE Clc1ccc(CN2C[C@@H]3OCCC[C@]3(CBr)C2)c(I)c1 2366704074 JLRGQIMDTRWCLW-GJZGRUSLSA-N 470.576 4.321 50 10 JIGE Cc1cc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCCC(C)C)cc2)cc(C)c1Cl 14037185 SYWDYRSHPLBGQD-UHFFFAOYSA-N 478.014 4.096 50 10 JIGE Cc1ccc(NC(=O)CCC(=O)NNC(=O)c2ccc(OCC(C)C)c(Br)c2)c(C)c1 14652951 WCDNVWZIZKOVOD-UHFFFAOYSA-N 490.398 4.281 50 10 JIGE CCCOc1c(Br)cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1OCC 23085413 YARTVLJPEVASCE-CIAFOILYSA-N 450.289 4.309 50 10 JIGE C[C@@H](SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(=O)NNC(=O)c1ccc(Cl)cc1 27638645 RHGDGZQNSAACFH-CYBMUJFWSA-N 499.017 4.388 50 10 JIGE COc1cc(/C=N/NC(=O)CCCNC(=O)c2ccccc2Cl)ccc1OC(=O)c1ccccc1 33959063 JXFMYMHQTUVAPI-STBIYBPSSA-N 493.947 4.228 50 10 JIGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4)ccc32)cc1OC 38659479 AUYVSVZMMHPIGW-AREMUKBSSA-N 472.497 4.296 50 10 JIGE CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC 59484809 FFCHISZFMPUKCF-NTUHNPAUSA-N 493.257 4.152 50 10 JIGE Cc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)NNC(=O)c3ccc(Cl)cc3)c(C)c21 101593971 ALQGDUOXLHRXAS-ZXVVBBHZSA-N 478.936 4.095 50 10 JIGE C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1 107577574 UMRAKMPAVJONFM-VQIMIIECSA-N 486.494 4.085 50 10 JIGE Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)CCC(=O)C(C#N)=C1N(C)c2ccccc2N1C 108788429 XMRBIPHASDXWAA-UHFFFAOYSA-N 482.588 4.118 50 10 JIGE C[C@@H]1CN(C(=O)c2cc(I)ccc2Br)CC[C@@H]1Br 235366751 LNHWHLUWSIYMBA-KCJUWKMLSA-N 486.973 4.299 50 10 JIGE CC(CC12CC3CC(CC(C3)C1)C2)=NNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 254309244 VUFMOQDZOTXETF-IEFUJUGPSA-N 471.667 4.494 50 10 JIGE CC(=NNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C)cc1)c1ccccc1O 254498119 NKOJKXQUYYUYQL-UHFFFAOYSA-N 458.543 4.032 50 10 JIGE FC(F)(F)Oc1cnc(CBr)c(I)c1Br 396164627 VOEUBTXKFNBXIN-UHFFFAOYSA-N 460.813 4.242 50 10 JIGE COc1ccc(C(=O)NN=Cc2cc(Br)ccc2OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 1083992007 FZZQTVHOKLLGKJ-UHFFFAOYSA-N 498.289 4.349 50 10 JIGE Cc1cc(C=NNC(=O)CC(=O)NCc2ccccc2)c(C)n1-c1ccccc1C(F)(F)F 1084527246 MCWWJNCUVYQIGJ-UHFFFAOYSA-N 456.468 4.270 50 10 JIGE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NNc2ncccc2C)c1 1154291996 NJEBHGGGQMCFHP-UHFFFAOYSA-N 456.955 4.182 50 10 JIGE C=CCNc1ncc(C(=O)NNC(=O)c2ccc(COc3ccc(Cl)c(C)c3)cc2)s1 1540396281 ZBHXJPBSVSAQRR-UHFFFAOYSA-N 456.955 4.357 50 10 JIGE CCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1cc(Br)cc(OC)c1O)C(C#N)=C(N)O2 1865696864 SJOXOUHSDJUTCI-IBGZPJMESA-N 499.340 4.328 50 10 JIGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(C)cc2)c1OC 1865700655 AJDVEVUATXLGAR-QGZVFWFLSA-N 456.424 4.435 50 10 JIGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(C(=O)O)cc1)C(C#N)=C(N)O2 1865708765 FRDUCJYEQHOZHL-SFHVURJKSA-N 465.307 4.114 50 10 JIGE C[C@H](Cl)[C@@H](NC(=O)c1ccc(I)c(Br)c1)C(F)(F)F 1882638526 GTERRRIRSHUNEB-SSDLBLMSSA-N 470.454 4.342 50 10 JIGE CN(C[C@H](Br)COCc1ccccc1)S(=O)(=O)c1cscc1Br 1916367351 SWALMKNUKXDACO-ZDUSSCGKSA-N 483.247 4.111 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1CC[C@H](CBr)C(F)(F)C1 2146375709 QVADZVUWIWHZKR-SECBINFHSA-N 478.502 4.437 50 10 JIGE O=C(c1cccc(F)c1I)N1CC2(CC[C@H]1CBr)CC2 2154162555 GSAKQJHHBBYXHW-JTQLQIEISA-N 452.105 4.210 50 10 JIGE CN1CCC(N(Cc2ccccc2)S(=O)(=O)Cc2ccc(CBr)cc2)CC1 2179789489 RETPGHYDCFZVBT-UHFFFAOYSA-N 451.430 4.008 50 10 JIGE C[C@@H]1CN(Cc2ccccc2)CCN1S(=O)(=O)c1cc(Cl)cc(CBr)c1F 2179862344 VCDHNOLNSQMBQH-CQSZACIVSA-N 475.811 4.269 50 10 JIGE O=S(=O)(c1ccsc1CBr)N1CCC2(CCN(Cc3ccccc3)CC2)C1 2179871307 YPLXCPBPDOZHMT-UHFFFAOYSA-N 469.470 4.320 50 10 JIGE CN([C@@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]21)S(=O)(=O)c1occc1CBr 2190547859 OWWVMBCXLZLNEH-INDMIFKZSA-N 454.386 4.179 50 10 JIGE C[C@@H](CCBr)N(Cc1ccccc1)S(=O)(=O)Cc1ncsc1Br 2210632840 KRSTUJQXQKIRHF-LBPRGKRZSA-N 482.263 4.411 50 10 JIGE O=S(=O)(C1CCC(CBr)CC1)N1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 2234714030 AWALCKNCMCXQTC-DLIHROTGSA-N 455.462 4.009 50 10 JIGE C=C1CC(CBr)(NC(=O)c2cc(I)ccc2Br)C1 2254213628 SGQIWEFIPZHPQO-UHFFFAOYSA-N 484.957 4.267 50 10 JIGE CS(=O)(=O)c1csc([C@H](Br)c2c(F)cccc2I)c1 2267736496 IMIVQLHERPOXHV-LBPRGKRZSA-N 475.142 4.380 50 10 JIGE C[C@@H](Cl)c1nc2ccc(Br)cc2n1-c1cnn(C)c1I 2280051612 PKIKSORNYDHTQQ-SSDOTTSWSA-N 465.520 4.426 50 10 JIGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc3c(c2)OCO3)cc1 2297450793 GWRZWKXVLLMQDL-UHFFFAOYSA-N 484.556 4.183 50 10 JIGE O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)NN=CC=Cc1ccccc1[N+](=O)[O-] 2297507007 ISSSHYLVLSARCH-UHFFFAOYSA-N 485.525 4.201 50 10 JIGE CC(=NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1ccc(NC(=O)C2CC2)cc1 2297635240 VYKPSLDFERFAQF-UHFFFAOYSA-N 482.587 4.051 50 10 JIGE CC(C)(CI)CN1CCC[C@@H](N(CC(F)F)C(=O)OC(C)(C)C)C1 2306814273 AYWOGIMUXPDEHB-CYBMUJFWSA-N 460.347 4.414 50 10 JIGE O=C(c1scc(Br)c1Br)N1C[C@H]2C[C@@H](CBr)[C@H]2C1 2309713297 XOMVYGPMARGLGT-XLPZGREQSA-N 458.013 4.376 50 10 JIGE Fc1ccc(CNCC(F)(F)C(F)(F)CI)c(Br)c1 2336528767 FJYYHKSVFKMAHJ-UHFFFAOYSA-N 458.006 4.383 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@H]2C[C@@H](CBr)[C@H]2C1 2360163612 IWKPZUPUOZLXPD-MISXGVKJSA-N 466.011 4.244 50 10 JIGE CCCC(=O)Nc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2C(C)C)cc1 9231607 QMJUCBRHQOHBLK-UHFFFAOYSA-N 476.371 4.151 50 10 JIGE Cc1ccccc1C(=O)NNC(=O)c1cc(Br)ccc1OCCc1ccccc1 14665519 JRZFPWMRZHZUTL-UHFFFAOYSA-N 453.336 4.454 50 10 JIGE COc1ccccc1/C(C#N)=C\c1cccc(OC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)c1 31902731 BZOJGGZNBQBCAP-SQFNAUOLSA-N 452.466 4.349 50 10 JIGE COc1cc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)ccc1OCCc1ccccc1 32519924 HMANUHHNGLKMKV-WGOQTCKBSA-N 460.559 4.435 50 10 JIGE Cc1c(C(=O)Nc2ccc(Cl)cn2)oc2c1/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 40812222 OHTJDPIXPYNXJD-WGOQTCKBSA-N 467.869 4.267 50 10 JIGE CCOC(=O)c1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)Cc1ccccc1)CCC2 40815880 XGMMRRPQHURQEL-XHLNEMQHSA-N 473.529 4.416 50 10 JIGE COc1ccc(O)c(/C=N/NC(=O)CSc2nnc(CCc3ccccc3)n2-c2ccccc2)c1 58988270 SWYFIPKQDOFRMY-WPWMEQJKSA-N 487.585 4.009 50 10 JIGE O=C(CSCC(=O)Nc1ccccc1)N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21 59165558 QTKLLIXFGVTTOP-OLFWJLLRSA-N 492.988 4.079 50 10 JIGE O=C(NCCCCCCI)c1cccc(I)c1 236149155 OZNLLPHAAUDXFR-UHFFFAOYSA-N 457.093 4.016 50 10 JIGE CC(=C/c1ccccc1)/C=C(\NC(=O)c1ccccc1)C(=O)NN=Cc1ccc2c(c1)OCO2 252626153 QXQXBDNAEQKYTE-KYCKZAGLSA-N 453.498 4.283 50 10 JIGE CC(=NNC(=O)COc1c(Br)cc(C)cc1Br)c1ccc(O)cc1 252629460 UGIHBCQGBIYGFB-UHFFFAOYSA-N 456.134 4.145 50 10 JIGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3cccc(F)c3)n2-c2ccc(OC)cc2)cc1 254380025 DAOCBHNTDRVTGE-UHFFFAOYSA-N 491.548 4.333 50 10 JIGE Cc1ccc(OCC(=O)NN=Cc2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)cc1C 254566648 HXXNHAZTLMDIIN-UHFFFAOYSA-N 464.434 4.441 50 10 JIGE O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)NN=Cc1cccc(C(F)(F)F)c1 254616488 RMNWQAVZIBZRPK-UHFFFAOYSA-N 479.455 4.190 50 10 JIGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(O)cc3)n2-c2ccc(C)cc2)cc1 254793863 YMLGGWZWMPQTHK-UHFFFAOYSA-N 473.558 4.199 50 10 JIGE CC(C)N1C(=O)C(=NNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)c2ccccc21 254834572 DTLYFNDGXGBHCZ-UHFFFAOYSA-N 496.596 4.302 50 10 JIGE CN(C[C@@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(CBr)cc1 720027946 XWSXATNXRVHUBE-FQEVSTJZSA-N 451.430 4.114 50 10 JIGE COc1c(C(=O)NN=C2C(=O)N(CC(=O)Nc3ccc(C)cc3)c3ccccc32)ccc2ccccc12 1083982803 PYYJEQZRFOGKLH-UHFFFAOYSA-N 492.535 4.276 50 10 JIGE COc1cccc(C=NNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1 1083991785 BTTSWTMQOUULCK-UHFFFAOYSA-N 471.966 4.003 50 10 JIGE CC(=O)c1cccc(CNC(=O)CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c1 1159331922 YHANEIMGEIRIEX-UHFFFAOYSA-N 459.662 4.472 50 10 JIGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc(Oc3ccccc3F)cc2)cc1 1209143593 ZCJBFGQTZDOADV-INIZCTEOSA-N 451.454 4.441 50 10 JIGE C=CCn1c(SCC(=O)C(C#N)=C2N(C)c3ccccc3N2C)nnc1-c1ccc(C)cc1 1641019084 JWYOLJVDASVAIJ-UHFFFAOYSA-N 456.575 4.422 50 10 JIGE CC(=O)N1CCc2c(NC(=O)NNC(=O)c3cc4c(s3)CC[C@@H](C(C)(C)C)C4)cccc21 1676682675 AACSZBIZFKXSHE-MRXNPFEDSA-N 454.596 4.275 50 10 JIGE COC(=O)c1ccccc1NC(=O)COc1cccnc1NC(=O)Nc1ccc(SC#N)cc1 1858834933 YOHKTRUEPCJIPE-UHFFFAOYSA-N 477.502 4.103 50 10 JIGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@@H](c2ccc(O)c(O)c2)C(C#N)=C(N)O3)cc1 1865680728 UOJRXFUOLIIQBE-QHCPKHFHSA-N 484.487 4.375 50 10 JIGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)cc2)cc(OC)c1OC 1865692620 OASASNDGXDOUNZ-FQEVSTJZSA-N 452.898 4.078 50 10 JIGE CN(C[C@H](Br)COCc1ccccc1)S(=O)(=O)c1ccc(F)cc1Br 1916335619 UCZZLIBWZDKMEP-AWEZNQCLSA-N 495.208 4.189 50 10 JIGE CC(C)(C)OC(=O)N1CCC(CI)(OC[C@H]2CCCCCO2)CC1 1947245433 JTNBKHYQVURFIZ-OAHLLOKOSA-N 453.361 4.167 50 10 JIGE CCOc1cc(OC(F)(F)F)cc(C(=O)CBr)c1I 2055054616 TYSFWUZZNCVJKF-UHFFFAOYSA-N 452.992 4.166 50 10 JIGE CCOC(=O)Cc1c(I)ccc(CBr)c1OC(F)(F)F 2055273367 WEUQWVUEQMIHTO-UHFFFAOYSA-N 467.019 4.190 50 10 JIGE O=C(c1cc(Br)sc1Br)N1[C@H](CBr)C[C@@H]2OCC[C@@H]21 2090530740 MRSDXRLRPTYSHA-XVYDVKMFSA-N 474.012 4.040 50 10 JIGE C[C@H]1[C@@H](C(F)(F)F)N(CC2(CBr)CCOCC2)CCN1C(=O)OC(C)(C)C 2172609599 NQFWPTXYIGBDNG-KBPBESRZSA-N 459.347 4.050 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2C[C@H]3C[C@@H](Br)[C@H]2C3)cc1Br 2177182549 BTMNUSXCQSRAHT-MKPLZMMCSA-N 488.039 4.066 50 10 JIGE FC(F)(F)c1cnc(N2[C@H]3CC[C@@H](C3)[C@@H]2CBr)c(I)c1 2178703968 NHIZYYYQWKZMKQ-ARENWVFISA-N 461.063 4.457 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@@]12CC[S@@](=O)(=NCCCCCI)C2 2214711463 LBMBBLZMRGMHRK-XDHUDOTRSA-N 470.417 4.233 50 10 JIGE COc1ccccc1Oc1nc2ccccn2c(=O)c1C=C(C#N)S(=O)(=O)c1ccc(Cl)cc1 2296543654 VAYBJFMSSMTIET-UHFFFAOYSA-N 493.928 4.487 50 10 JIGE CCCCOc1ccc(C=NNC(=O)COc2ccc3c(C)cc(=O)oc3c2)cc1OCC 2328804058 SJTLMHUYVOEOAI-UHFFFAOYSA-N 452.507 4.208 50 10 JIGE O=C(N[C@H]1C[C@@H](CCl)[C@@H]2C[C@H]12)c1cc(Br)ccc1I 2329877930 VDBRKQMWGDNDLX-PYSAPBNWSA-N 454.533 4.047 50 10 JIGE CC[C@@H]1CN(C(=O)c2ccc(Cl)cc2I)C[C@@H]1CBr 2340055517 FRSZMGJHNCUQFC-ZJUUUORDSA-N 456.549 4.438 50 10 JIGE ClC[C@@H]1CC[C@@H](CNCc2ccc(I)c(Br)c2)OC1 2349858141 OXBNVSRNLAQMPN-RYUDHWBXSA-N 458.565 4.177 50 10 JIGE Clc1ccc(I)cc1CN1CC[C@@]2(C[C@H](Br)CO2)C1 2352432631 VYBCGCLDDDPZQC-SMDDNHRTSA-N 456.549 4.073 50 10 JIGE COCCO[C@@H]1[C@H](Br)C[C@H]1Oc1cc(Cl)c(C)cc1I 2361690595 VAUBTAWZNUDPMV-OWYVNGRQSA-N 475.548 4.199 50 10 JIGE CC(C)CCOc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCCC(C)C)cc2)cc1 14037315 VZKWPGGFYVTVCO-UHFFFAOYSA-N 471.623 4.486 50 10 JIGE CC(C)(C)c1ccc(C(=O)NNC(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc34)C2)cc1 21783984 NLHXQUHJENXCLP-NRFANRHFSA-N 457.574 4.451 50 10 JIGE CNC(=O)/C(C#N)=C1/S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(F)cc1 33733248 GUFHXJKKMLOAOK-HDAKKWKLSA-N 450.322 4.305 50 10 JIGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 40869938 FIUAZNIMPJNAKP-DEDYPNTBSA-N 457.442 4.046 50 10 JIGE CCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(Cl)cc2Cl)c(OC)c1 40877808 SUZYXSAFPLXIGF-OQLLNIDSSA-N 463.317 4.420 50 10 JIGE COc1cc(C(=O)N/N=C/c2ccc(Sc3nc4ccccc4[nH]3)o2)cc(OC)c1OC 59392280 VHGKVSMQUOGERO-FSJBWODESA-N 452.492 4.097 50 10 JIGE O=C(c1ccc(I)c(O)c1)N(CCBr)C1CCCCC1 236578894 NOYKOHMAPHMCJY-UHFFFAOYSA-N 452.130 4.167 50 10 JIGE C#CCOc1ccc(Br)cc1C=NNC(=O)[C@@H](C)Oc1ccccc1Br 252616977 KJVXTYJXBUTHRU-CYBMUJFWSA-N 480.156 4.141 50 10 JIGE COc1ccc(-n2c(SCC(=O)NN=Cc3sccc3C)nc3ccccc3c2=O)cc1 254699580 YPOJJIIDMAMZBK-UHFFFAOYSA-N 464.572 4.007 50 10 JIGE O=C(/C=C/c1ccccc1)Oc1ccc(C=NNC(=O)c2ccn(Cc3ccccc3F)n2)cc1 254875434 VGPJQOJSWAFBTI-JPSKPXTPSA-N 468.488 4.453 50 10 JIGE O=S(=O)(c1cc(CCl)sc1Br)N1C[C@H]2CCN(Cc3ccccc3)C[C@@H]2C1 380758988 XFCLWRTVMGGANL-HZPDHXFCSA-N 489.888 4.392 50 10 JIGE O=C(N[C@H](CCl)CC(F)F)c1cc(I)ccc1Br 717761980 WYNZWTHWIKQTKP-ZETCQYMHSA-N 452.464 4.046 50 10 JIGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)Nc2nc(-c3ccccc3)cs2)cc1 731183403 GJJIMESLKSJHFX-UYRXBGFRSA-N 498.568 4.103 50 10 JIGE COc1ccc(CCCN(C)C(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)cc1 918686132 GDGULWUPUXLDKU-NKFKGCMQSA-N 453.546 4.471 50 10 JIGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)NN=Cc1ccccc1[N+](=O)[O-] 1084109241 DHCNTBIATMHHBE-HNNXBMFYSA-N 499.984 4.269 50 10 JIGE C#CCOc1ccc(Br)cc1C=NNC(=O)C(Oc1ccccc1)Oc1ccccc1 1084210681 KDVAVDCPZDZBFM-UHFFFAOYSA-N 479.330 4.395 50 10 JIGE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NNC(=O)c1ccc(COc2ccc3ccccc3c2)cc1 1312615756 JBEQCWXLORMWOR-ILBGXUMGSA-N 459.546 4.344 50 10 JIGE C/C(=C/C(=O)NNC(=O)COc1ccc(Br)cc1)c1ccccc1C(F)(F)F 1587665847 AVGITDLEMSJDLH-BENRWUELSA-N 457.246 4.098 50 10 JIGE C#C[C@@H](NC(=O)NNC(=O)COc1ccccc1-c1ccccc1)c1ccc(Cl)cc1F 1683517265 UIWYUWGMBVHYER-OAQYLSRUSA-N 451.885 4.230 50 10 JIGE C[C@@H](Oc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1F)C(=O)Nc1ccc(F)cc1 1858685244 JINFFWBIFPLVBU-GFCCVEGCSA-N 458.377 4.285 50 10 JIGE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(OC)c(OC)c1)C(C#N)=C(N)O2 1865708088 NWAZTNWVHXNKQR-NRFANRHFSA-N 450.926 4.383 50 10 JIGE Cc1csc(CBr)c1S(=O)(=O)N1CCN(Cc2ccccc2)CC[C@H]1C 1885142430 REFYDYLDDCPAGD-MRXNPFEDSA-N 457.459 4.237 50 10 JIGE COC[C@@](C)(CBr)CNC(=O)c1csc(Br)c1Br 1926991552 BPBANMYHYQHURG-NSHDSACASA-N 464.017 4.051 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@H]2C[C@H]1C[C@@H]2Br 2052021728 YIZTYGQUOADRBK-UTLUCORTSA-N 484.957 4.052 50 10 JIGE O=C(CBr)c1cc(I)c(I)cc1Cl 2060100399 LRLVEUNXBUXGMP-UHFFFAOYSA-N 485.284 4.127 50 10 JIGE O=C(NC[C@@H](Br)C1CCC1)c1ccc(Br)cc1I 2086151969 VJQBBBYSNXVNII-LLVKDONJSA-N 486.973 4.347 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1C[C@H]2C[C@H]1CC[C@H]2Br 2088647316 SGCPLMXJQUVRNF-HLUHBDAQSA-N 454.533 4.333 50 10 JIGE CCCN1CC[C@H]([C@H](Cl)c2cc(Br)c(Br)s2)S1(=O)=O 2089512412 XWDYASXOOCSZNK-NXEZZACHSA-N 451.633 4.367 50 10 JIGE C[C@@]12CN(C(=O)c3ccc(I)c(Cl)c3)C[C@@]1(CBr)C2 2109184495 YBIQZOMFNOATAP-KGLIPLIRSA-N 454.533 4.192 50 10 JIGE C[C@@H]1CN(C(=O)c2cc(I)ccc2F)CC[C@H]1CCBr 2172461867 ASSKEQITGFIGFC-GHMZBOCLSA-N 454.121 4.314 50 10 JIGE COc1ccc([C@H](Br)c2cn(C)nc2Br)c(OC)c1Br 2173185094 ZESRSLXLLQLJNG-JTQLQIEISA-N 468.971 4.447 50 10 JIGE CN([C@@H]1CCC(F)(F)C1)S(=O)(=O)c1cc(CBr)sc1Br 2179791931 YOJOKYVJFBMUHQ-SSDOTTSWSA-N 453.168 4.214 50 10 JIGE CCN(CCCOCc1ccccc1)S(=O)(=O)c1cc(CBr)cc(F)c1F 2179860569 UKQFFBLWMIIMIG-UHFFFAOYSA-N 462.356 4.477 50 10 JIGE O=S(=O)(NC[C@]12CCC[C@]1(CBr)C2)c1cc(Cl)c(Br)s1 2208034426 WWNSIVOELXQNTC-VXGBXAGGSA-N 463.644 4.398 50 10 JIGE CC[C@@H]1[C@H](Br)CCN1C(=O)c1ccc(I)c(Br)c1 2260370611 DPWFLIPLEDETEZ-BXKDBHETSA-N 486.973 4.442 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1[C@H]2CC[C@H](C2)[C@@H]1CBr 2334380313 BNQDFRBSYAFILJ-DVYJOKAKSA-N 454.533 4.333 50 10 JIGE CC[C@]1(CBr)COCCN1Cc1ccc(Cl)c(I)c1 2337229146 FMLUNYGTAKTQOI-AWEZNQCLSA-N 458.565 4.321 50 10 JIGE CC(C)Oc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(OCc3ccccc3)cc2)c1 10471906 APQYJVIJOJKRNY-UHFFFAOYSA-N 463.559 4.002 50 10 JIGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)/C=C/c2cccc3ccccc23)c(Br)c1 12503521 AFIUAJANKIUKFL-ZRDIBKRKSA-N 498.402 4.025 50 10 JIGE COc1ccc(C(=O)N/N=C(\C)c2ccc(Br)cc2)cc1I 12573964 JBTHYXGLCPENJL-VXLYETTFSA-N 473.108 4.216 50 10 JIGE COC(=O)c1ccc(C)c(SSc2c(C)ccc(C(=O)OC)c2[N+](=O)[O-])c1[N+](=O)[O-] 59369253 GAQLBRWJCXBCBW-UHFFFAOYSA-N 452.466 4.492 50 10 JIGE CC(C)[C@H](C(=O)NNC(=O)c1ccc(COc2ccccc2)o1)n1cnc2cc(F)c(F)cc21 109494489 IZPURTOMVYUXLG-JOCHJYFZSA-N 468.460 4.145 50 10 JIGE CC[C@](C)(CBr)NS(=O)(=O)c1cc(Br)c(C)cc1Br 136572028 XGDHGDLLQRRMEA-GFCCVEGCSA-N 478.044 4.362 50 10 JIGE COc1cc(/C=C(/C#N)C(N)=O)ccc1OC(=O)/C=C/c1ccc(OCc2ccccc2)cc1 206425379 WREFRMILMCMRDM-YNLGFCNJSA-N 454.482 4.285 50 10 JIGE COc1ccccc1/C=C(/C#N)C(=O)Oc1ccc(/C=C(\C#N)C(=O)NCc2ccco2)cc1 206727018 ZWSJZIAVAOZPIH-NAWSQEDCSA-N 453.454 4.024 50 10 JIGE O=C(NC[C@@H]1CCC[C@@H]1Br)c1cc(I)ccc1Br 232464168 RLZFWVVWZQXRFE-KWQFWETISA-N 486.973 4.347 50 10 JIGE CC[C@@H](CCBr)NC(=O)c1cc(I)ccc1Br 233873938 UXJUUASMGNWVOX-VIFPVBQESA-N 474.962 4.347 50 10 JIGE Cc1ccc(OCC(=O)NN=Cc2coc3ccc(Br)cc3c2=O)c(-c2ccno2)c1 252628229 SLHRPEYDWAXLSP-UHFFFAOYSA-N 482.290 4.048 50 10 JIGE O=C(NN=Cc1ccc(O)cc1O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 254303457 LJSDJJXRCOGGKF-UHFFFAOYSA-N 498.195 4.287 50 10 JIGE CC(C)Oc1ccc(C=NNC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1 254617504 UJGDMAWITJXIRY-UHFFFAOYSA-N 451.548 4.063 50 10 JIGE FC(F)(F)Oc1c(Br)cnc(CBr)c1I 396156905 MFYLJQREZLGBCY-UHFFFAOYSA-N 460.813 4.242 50 10 JIGE N#CCCn1cc(/C=C(\C#N)C(=O)N2CCC[C@@H](c3ncc[nH]3)C2)c(-c2ccc(Cl)cc2)n1 727738069 DUODRSMRBHJCID-UIMCMNAESA-N 459.941 4.153 50 10 JIGE CC(=O)Nc1cccc([C@@H](C)NC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)c1 914471437 AYILMIPIJWKGNG-QWQBBLJPSA-N 452.518 4.207 50 10 JIGE Cc1ccccc1NC(=O)CCC(=O)NN=Cc1cc(Br)c(O)c(Br)c1 1565518041 YFFFENNPXYJMAR-UHFFFAOYSA-N 483.160 4.095 50 10 JIGE COc1ccc(OC)c(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2OC)CCC3)c1 1772746595 XSFIEHUJVZWZHI-UHFFFAOYSA-N 477.517 4.337 50 10 JIGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2cncc(Br)c2)CCC3)nc1 1772748035 UWRGNUMUOFQYOW-UHFFFAOYSA-N 482.338 4.172 50 10 JIGE C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)N/N=C/c4ccccc4Br)c(=O)c23)C1 1860774057 LIBBNDKHCFWSFU-JYEJNAJNSA-N 473.396 4.057 50 10 JIGE COc1ccccc1C1(CNC(=O)/C(C#N)=C/c2ccc(Br)cc2)CCOCC1 1866128677 FRJJIOFZDSVDKY-NBVRZTHBSA-N 455.352 4.229 50 10 JIGE COCCCN1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc([N+](=O)[O-])cc4)cs3)cc2C1=O 1872747342 YBOGIDSWCIQTIP-VZCXRCSSSA-N 490.497 4.301 50 10 JIGE CC(C)(C)OC(=O)N[C@@H](CBr)[C@@H]1CN(C(=O)OC(C)(C)C)C2(CCOCC2)C1 1885095650 CPNJFOMJIKUBMW-GJZGRUSLSA-N 463.413 4.081 50 10 JIGE Cc1c(Br)sc([C@@H](Br)[C@@H]2CCS(=O)(=O)C2)c1Br 1922943704 WNGSULWQBJYYIH-SVRRBLITSA-N 467.042 4.452 50 10 JIGE CC(C)[C@H](Br)CNC(=O)c1ccc(Br)cc1I 2026216544 GEEGETJGIDVJCX-SNVBAGLBSA-N 474.962 4.203 50 10 JIGE Oc1ccc(Cn2nc(CBr)c(I)c2C(F)(F)F)cc1F 2079251055 MZVQWUKPJLYPSV-UHFFFAOYSA-N 479.009 4.294 50 10 JIGE O=C(N[C@@H]1C[C@H]2C[C@H]1C[C@@H]2Br)c1ccc(I)c(Cl)c1 2104410076 CLZZIENLLALSNP-KEPMVKOISA-N 454.533 4.236 50 10 JIGE BrCCCN1CCN(Cc2cccc(Br)c2Br)CC1 2113618774 VRHZTNTTWHWHIM-UHFFFAOYSA-N 455.032 4.114 50 10 JIGE CC(C)C[C@@H](CBr)CNS(=O)(=O)c1cc(Cl)c(Br)s1 2120736039 WMYUDMQKSPIUKG-QMMMGPOBSA-N 453.649 4.500 50 10 JIGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CC2(CBr)CCC1CC2 2178879761 CWFJLXVPOAPUHU-UHFFFAOYSA-N 463.644 4.492 50 10 JIGE C[C@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(CBr)cc2F)CN1Cc1ccccc1 2179790832 JHNJTASTXNUPQK-MAUKXSAKSA-N 455.393 4.004 50 10 JIGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1C[C@@H]2[C@H](CBr)[C@@H]2C1 2182047954 SWDJIIKOCVNYAD-AYMMMOKOSA-N 464.006 4.017 50 10 JIGE CC1(C)CCCN(C(=O)c2cc(I)ccc2O)[C@@H]1CBr 2185808028 PYUZYOIQWXCUOZ-CYBMUJFWSA-N 452.130 4.023 50 10 JIGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(F)cc3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2293038426 BKIVVYFYXZYRMY-QFIPXVFZSA-N 461.518 4.470 50 10 JIGE COc1cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc(Br)c1OC(C)=O 2297551467 MMMRMELOZZRVAX-UHFFFAOYSA-N 494.685 4.490 50 10 JIGE C[C@H](Br)Cc1cn(Cc2ccc(I)c(Br)c2)nn1 2325220738 BLQWABBXYMNVCJ-QMMMGPOBSA-N 484.961 4.019 50 10 JIGE CCCOc1ccc(C=NNC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1OC 2328827670 XEXJCVKJJCTZOV-FQEVSTJZSA-N 455.555 4.070 50 10 JIGE COC(=O)c1c(NC(=O)C(C)(C)NC(=O)OCc2ccccc2)sc(C(C)=CC#N)c1C 2331562244 WNNWRUPQGBGHBC-UHFFFAOYSA-N 455.536 4.414 50 10 JIGE Fc1ccc(CNCC(F)(F)C(F)(F)CI)cc1Br 2336530932 BTWJQPCDWWVUBY-UHFFFAOYSA-N 458.006 4.383 50 10 JIGE Clc1ccc(CN2CC[C@@]3(C[C@H](Br)CO3)C2)c(I)c1 2341050519 NVSSPDNHINMFCY-SMDDNHRTSA-N 456.549 4.073 50 10 JIGE COc1ncc(Br)c(C)c1CO[C@@H](CCl)[C@@H](I)CCl 2342361706 NPPWUWDASDMJHX-QWRGUYRKSA-N 482.971 4.328 50 10 JIGE CC(C)(C)OC(=O)NC[C@]1(C(F)(F)F)CCCN1C[C@@]1(CBr)CC1(F)F 2351887930 RZGFMRIOPQRMER-KBPBESRZSA-N 451.274 4.328 50 10 JIGE CCn1ncc(I)c1-n1c(CCl)nc2ccc(Br)cc21 2381972804 SRKUTQVQHSKDDR-UHFFFAOYSA-N 465.520 4.348 50 10 JIGE CCn1ncc(I)c1-n1c(CCl)nc2cc(Br)ccc21 2381979165 IHZAFIRGMUFRHJ-UHFFFAOYSA-N 465.520 4.348 50 10 JIGE CC[C@H](C)c1ccccc1O[C@H](C)C(=O)NNC(=O)c1ccc(OC)c(I)c1 9872082 HPZADGLCOIHARV-UONOGXRCSA-N 496.345 4.042 50 10 JIGE CC(C)Oc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(Cl)cc1Cl 14667962 BKKJPXKLUFXKFL-UHFFFAOYSA-N 476.154 4.383 50 10 JIGE CCCCCC(=O)NNC(=S)NC(=O)c1ccc(OCCc2ccccc2)c(Br)c1 14767160 YAMBYRNDIRBPIT-UHFFFAOYSA-N 492.439 4.286 50 10 JIGE COc1cc(C=NNC(=O)c2cc3ccccc3o2)ccc1OCC(=O)Nc1ccc(F)cc1 17150231 GRWWNNKCKAKIMI-UHFFFAOYSA-N 461.449 4.362 50 10 JIGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)cc1 38650358 XLIJHUVFTMELDY-MYYSRTQBSA-N 460.461 4.425 50 10 JIGE Cc1c(C(=O)NCc2ccc3c(c2)OCO3)oc2c1/C(=N/NC(=O)c1cccc(Cl)c1)CCC2 40813288 KJYRXHMDZPOJKI-MTDXEUNCSA-N 479.920 4.371 50 10 JIGE O=C(N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccccc1Cl 48573315 AEUWRIQXHCXWPZ-DHRITJCHSA-N 456.285 4.301 50 10 JIGE C[C@@H](Sc1nnc(-c2cccc(Cl)c2)n1-c1ccccc1)C(=O)NNC(=O)C1CCC1 59883156 BYUZXYTWOUPZQB-CQSZACIVSA-N 455.971 4.016 50 10 JIGE Cc1ccccc1[C@H](C(=O)NC1CCCCC1)N(Cc1ccc2c(c1)OCO2)C(=O)CCl 97914448 DCKFWHBCHKYARE-XMMPIXPASA-N 456.970 4.481 50 10 JIGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccccc3[N+](=O)[O-])cc2)cc1 254381025 RJJJTRTVZVIEOQ-UHFFFAOYSA-N 477.473 4.132 50 10 JIGE O=S(=O)(N[C@H](CBr)CC(F)F)c1c(Cl)cc(Br)cc1Cl 717751100 SSZMVJMXHCGFTR-LURJTMIESA-N 475.964 4.453 50 10 JIGE C[C@H](OC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1)C(=O)Nc1ccc(F)cc1F 729344392 GHQQKZFHVFDWAI-IQFISFIMSA-N 475.455 4.219 50 10 JIGE CC[C@@H](CNC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1)N1CCc2ccccc2C1 914764214 BVRUUAIRRCEIMY-CSJROMOCSA-N 478.600 4.324 50 10 JIGE COc1ccc(C(=O)NN=Cc2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)cc1OC 1084188918 DBVJHVYOEMZKDP-UHFFFAOYSA-N 467.909 4.139 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(F)cc2)[C@@H]1c1ccccc1C(=O)O 1865704207 PXXBNXRQFROSIE-MRXNPFEDSA-N 458.371 4.006 50 10 JIGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C[C@@H]2CC(=O)c3ccccc32)cc1 1867235996 RZLPTGCNRVJUKC-UUOWRZLLSA-N 485.565 4.392 50 10 JIGE COc1ccc(-c2csc(/C(C#N)=C(\O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)cc1Cl 1872757658 PTDBVIIJUYQSHJ-LGMDPLHJSA-N 496.888 4.469 50 10 JIGE O=C(N[C@H](CCBr)COCc1ccccc1)c1ccccc1I 1902775300 BXHOEBZIQAFZOB-OAHLLOKOSA-N 488.163 4.391 50 10 JIGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)c1cnn(C)c1I 1915260300 WOXPDCQYSOUGBT-HNNXBMFYSA-N 490.183 4.087 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H]2CC[C@H](Br)[C@H]2C1 2087938485 XNBLXAPSHSZVNU-DCAQKATOSA-N 498.984 4.299 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1CC2(CC2)C[C@H]1CBr 2099154195 KVGFSCYGGOYLFH-JTQLQIEISA-N 454.533 4.334 50 10 JIGE CCN([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(C)c(CBr)s1 2123242840 BKBSMNSSXKPWQB-KRWDZBQOSA-N 457.459 4.237 50 10 JIGE O=C(c1c(Br)cccc1Br)N1CC2(CC(CBr)C2)C1 2129964074 SYSSQHCZKWOLBN-UHFFFAOYSA-N 451.984 4.459 50 10 JIGE CN(C(=O)OC(C)(C)C)[C@H]1CC[C@@H](NS(=O)(=O)c2ccc(CBr)cc2)CC1 2162589467 QOJNBFYCRMBZHH-IYBDPMFKSA-N 461.422 4.038 50 10 JIGE O=C(NC[C@H]1CCCC[C@H](Br)C1)c1cc(I)ccc1O 2163745126 FEVLPJFCBZGSEO-QWRGUYRKSA-N 452.130 4.070 50 10 JIGE Cc1ccc(S(=O)(=O)N(C)C[C@@H]2CCN(Cc3ccccc3)C2)cc1CBr 2179786119 VVQAHGBXWAEEBN-IBGZPJMESA-N 451.430 4.033 50 10 JIGE O=S(=O)(c1cc(CBr)cs1)N1CCN(Cc2ccccc2)C[C@H]1C(F)(F)F 2186715465 NFKJEGRJEOZCCG-HNNXBMFYSA-N 483.375 4.080 50 10 JIGE CC1(C)OCCO[C@H]1CO[C@H](CI)c1ccccc1Br 2186961172 AWYQOLNJYXCNHA-KGLIPLIRSA-N 455.130 4.136 50 10 JIGE COc1cc(I)c(Cl)cc1C(=O)N(C)C[C@H]1C[C@@H](Br)C1 2196908016 VKERJPWMUZIHEB-DTORHVGOSA-N 472.548 4.199 50 10 JIGE O=C(c1scc(Br)c1Cl)N1C[C@H](Br)[C@H](Br)C1 2242694819 MXDSIWXAZUNKKB-SYDPRGILSA-N 452.393 4.147 50 10 JIGE CC(C)(C)OC(=O)NC[C@H]1CN(CCCCI)CC[C@H]1C(F)(F)F 2248246952 DJIKBCXKYHUOFX-QWHCGFSZSA-N 464.310 4.227 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@@H](CBr)C2(CC2)C1 2295307715 NVVUYLYISTZILY-LLVKDONJSA-N 466.011 4.388 50 10 JIGE CC(C)[C@H]1C[C@H](Br)CN1c1ncc(I)cc1Br 2304248433 FOJWAHANWHKVKR-GZMMTYOYSA-N 473.978 4.447 50 10 JIGE CCCCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)C(N)=O)cc2OC)cc1OCC 2314807978 NUQQFNFDAAPHMN-UHFFFAOYSA-N 464.518 4.284 50 10 JIGE O=C(N[C@H]1C[C@@H](CBr)[C@H]2C[C@@H]12)c1cccc(Br)c1Br 2329871361 MAEWMMZAFJYPDU-UYAIAHHASA-N 451.984 4.361 50 10 JIGE Cc1nn(C)c(OCc2cc(I)ccc2Br)c1CCl 2341778637 DTINVTANYAMRMP-UHFFFAOYSA-N 455.521 4.413 50 10 JIGE CC(C)(C)OC(=O)NC[C@@H]1CN(C[C@@]2(CBr)CC2(F)F)C[C@@H]1C(F)(F)F 2351885918 QWBPBLSRYFWMSW-SUNKGSAMSA-N 451.274 4.042 50 10 JIGE CN([C@@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]21)S(=O)(=O)[C@@H]1CC[C@H](CBr)C1 2357092600 YPHYMFOIYALFIP-FLNLFJTMSA-N 456.446 4.196 50 10 JIGE CC[C@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2OCc2ccccc2)cc1 10296166 CPCMVWREFJVKND-SFHVURJKSA-N 477.586 4.392 50 10 JIGE CCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(C)C)cc2)cc1 14029710 IZGBCJBPFQIBEP-UHFFFAOYSA-N 457.596 4.094 50 10 JIGE CC(C)COc1ccccc1C(=O)NC(=S)NNC(=O)C(c1ccccc1)c1ccccc1 14035343 RFQIBXKSUBVYFA-UHFFFAOYSA-N 461.587 4.189 50 10 JIGE Cc1cc(Br)ccc1OCC(=O)NNC(=O)[C@@H](C)Oc1ccc(-c2ccccc2)cc1 14038736 RIWKZVUWMCFGNF-QGZVFWFLSA-N 483.362 4.418 50 10 JIGE COc1cc(Br)cc(Br)c1OCC(=O)N/N=C(\C)c1ccc(F)cc1 22001425 FGWFYYBTVWFMHD-UFFVCSGVSA-N 474.124 4.279 50 10 JIGE O=C(NNc1ncnc(Oc2ccc(Br)cc2)c1[N+](=O)[O-])c1ccc(Cl)cc1 40657867 LSTDBGXXRVZACR-UHFFFAOYSA-N 464.663 4.350 50 10 JIGE Cc1c(C(=O)N2c3ccccc3C[C@H]2C)oc2c1/C(=N/NC(=O)COc1ccccc1)CCC2 40816033 DSJCSEKAHCXHEF-QPGLCGFSSA-N 457.530 4.415 50 10 JIGE COc1ccc(/C=N/NC(=O)COc2ccc(Br)cc2C(C)(C)C)cc1[N+](=O)[O-] 40902941 SDAAXSZCSQSMAS-SSDVNMTOSA-N 464.316 4.193 50 10 JIGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccccc3F)n2-c2ccc(OC)cc2)cc1 254349740 YJTIMXZWTOSSMF-UHFFFAOYSA-N 491.548 4.333 50 10 JIGE COc1ccc(-n2c(SCC(=O)NN=C/C(C)=C\c3ccco3)nc3ccccc3c2=O)cc1 254387837 WOTUUUCLVXGCQV-KRYCBKHSSA-N 474.542 4.285 50 10 JIGE CC(=NNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 254446510 LMFCGWVULCDTLS-UHFFFAOYSA-N 472.530 4.475 50 10 JIGE O=C(Oc1ccc(C=NNC(=O)c2ccccc2-n2cccc2)cc1)c1cccc([N+](=O)[O-])c1 254703627 ZOEDVJUHSOOYPM-UHFFFAOYSA-N 454.442 4.369 50 10 JIGE CC1(C)O[C@@H]2[C@H](O1)[C@H](n1ccc3c1NC(=N)N[C@H]3Cl)O[C@@H]2CO[Si](C)(C)C(C)(C)C 616585162 HNXBSOSHEWZABA-RUCLQGLUSA-N 457.047 4.115 50 10 JIGE COc1cc(C=NNC(=O)[C@H](O)c2ccccc2)ccc1OCc1ccc(Br)cc1 725443937 PRSUGGILPLVUEX-JOCHJYFZSA-N 469.335 4.220 50 10 JIGE CC(=O)c1ccc(N2CCN(C(=O)/C(C#N)=C\c3cn(CCC#N)nc3-c3ccccc3)CC2)c(F)c1 914465422 AFWAWYJBDIJFEO-KQWNVCNZSA-N 496.546 4.061 50 10 JIGE CCc1cccc2c(/C=C(/C#N)C(=O)NCc3ccc4c(c3)OCO4)cn(CC(=O)NC3CCCC3)c12 1083967209 FMGIWZXPKYPWCS-BKUYFWCQSA-N 498.583 4.215 50 10 JIGE COc1ccc(NCCCC(=O)NN=Cc2cc(Br)c(O)c(Br)c2)cc1 1084092415 OSCALKMCOSTCLF-UHFFFAOYSA-N 485.176 4.268 50 10 JIGE Cc1ccc(NC(=O)CN2C(=O)C(=NNC(=O)c3cc(F)c(F)cc3Cl)c3ccccc32)cc1 1084243211 YAFLUJWFVWEHSM-UHFFFAOYSA-N 482.874 4.046 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Br)cc2)[C@@H]1c1ccc(O)c(O)c1 1865680225 COKSVMREEPRSHI-OAHLLOKOSA-N 493.239 4.283 50 10 JIGE Cc1ccc(SCCCC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 1865852198 OVLCSNSYTNDNKR-SJORKVTESA-N 498.674 4.172 50 10 JIGE O=C(Cn1c(O)nc2ccccc2c1=O)N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1 1873792318 BWKQLFFXCBLRPN-KKMKTNMSSA-N 497.338 4.138 50 10 JIGE COCCN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)c(CBr)c1 2009711570 ZKVXDEGHMFDVPI-UHFFFAOYSA-N 477.218 4.181 50 10 JIGE C[C@@H]1CN(S(=O)(=O)c2cc(Cl)c(Br)s2)[C@H](C)C[C@H]1Br 2093114108 GEWLULZXVSHQTP-BWZBUEFSSA-N 451.633 4.347 50 10 JIGE C[C@@H](CBr)N1CCN(Cc2ccc(Br)cc2Br)CC1 2113065013 XGPWHIQBKACUCA-NSHDSACASA-N 455.032 4.113 50 10 JIGE O=C(c1cc(Br)sc1Br)N1CCC[C@H](OCCBr)C1 2113863313 FJXWZTOZKRPMKZ-QMMMGPOBSA-N 476.028 4.289 50 10 JIGE O=C(N[C@@H]1CC[C@H]2C[C@]21CBr)c1ccc(Br)cc1I 2142278776 HWSJIPRNTHXJKA-PELMWDNLSA-N 498.984 4.347 50 10 JIGE C[C@H]1CCS[C@H]1CN(C)S(=O)(=O)c1cc(CBr)sc1Br 2179784523 ADCNTQMBWQFQSF-WPRPVWTQSA-N 463.282 4.168 50 10 JIGE O=S(=O)(c1ccc(CBr)c(Cl)c1)N1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2179793052 ODLBFCRABGBDMK-HDICACEKSA-N 469.832 4.272 50 10 JIGE CC(C)(C)[C@H]1[C@@H](Br)CCN1C(=O)Cc1ccccc1I 2185110344 OLLAUZGAOKRSSM-SWLSCSKDSA-N 450.158 4.244 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCC2(CC2)N(C(=O)OC(C)(C)C)C1 2211193253 USPSIIUXLXJNMH-MRXNPFEDSA-N 461.694 4.414 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)NC12CC(CBr)(C1)C2 2277924800 IZHRTUWOZMHYJR-UHFFFAOYSA-N 451.984 4.188 50 10 JIGE CCOc1ccc(C=C(C#N)C(=O)Oc2ccc3cc(C(=O)N[C@H](C)CC)c(=O)oc3c2)cc1 2314751046 MUFOAPLLWYBFCT-MRXNPFEDSA-N 460.486 4.233 50 10 JIGE COc1cc(C=C(C#N)c2cc3c(cc2[N+](=O)[O-])OCCO3)ccc1OCC(=O)Nc1ccccc1 2331051560 LEXZPVAZTMFWFL-UHFFFAOYSA-N 487.468 4.456 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CCC2CC1(CCl)C2 2336443213 VNDKTOIXDTZLIZ-UHFFFAOYSA-N 454.533 4.287 50 10 JIGE Clc1ccc(CN2CC[C@@]3(C[C@@H](Br)CO3)C2)cc1I 2337217870 BRQSGMWXNWLIFP-BXUZGUMPSA-N 456.549 4.073 50 10 JIGE O=C(NC[C@H]1CCC[C@H]1CBr)c1ccc(Cl)cc1I 2340057040 ZDQHEZHKDUIGBX-VHSXEESVSA-N 456.549 4.486 50 10 JIGE CC[C@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)c1 10672546 WVQMJZUSDWUSHF-IRXDYDNUSA-N 465.575 4.120 50 10 JIGE CC(C)CC(=O)Nc1ccc(C(=O)NNC(=O)COc2ccc3ccccc3c2Br)cc1 12493973 ROROWTROVUZPCA-UHFFFAOYSA-N 498.377 4.427 50 10 JIGE CCCCCCOc1ccc(C(=O)NNC(=O)Cc2ccc(OC)cc2)cc1Br 14640699 HZXKZFOWYIRVCD-UHFFFAOYSA-N 463.372 4.421 50 10 JIGE CCOc1ccc(OCc2ccc(C(=O)N/N=C3\CCS(=O)(=O)c4ccc(F)cc43)cc2)cc1 16050345 FEVANWFHHYQFPQ-SLEBQGDGSA-N 482.533 4.115 50 10 JIGE O=C(NN/C=C1/C(=O)N(c2ccccc2C(F)(F)F)C(=O)c2ccccc21)c1ccc(F)cc1 32690954 JKUCYFFOCAHUPZ-QGOAFFKASA-N 469.394 4.307 50 10 JIGE Cc1c(C(=O)Oc2ccccc2)oc2c1/C(=N/NC(=O)c1cncc(Br)c1)CCC2 40823118 IVXPYFUMRGQNDN-KOEQRZSOSA-N 468.307 4.435 50 10 JIGE COc1cc([N+](=O)[O-])ccc1-n1nc(C)c(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c1C 59148697 UIGQROZAYUMQBM-AUEPDCJTSA-N 462.293 4.477 50 10 JIGE Cc1cn([C@H]2C[C@@H]3O[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)OC[C@H]3O2)c(=O)[nH]c1=O 196622865 HBSKJJBQGMVUQG-XUVXKRRUSA-N 484.742 4.089 50 10 JIGE CC1(C)CC[C@@H](CBr)N(C(=O)c2cc(I)ccc2O)C1 701593747 DTRXFMMBFCYHEY-NSHDSACASA-N 452.130 4.023 50 10 JIGE Cc1ccc([C@@H](CNC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)N2CCCC2)o1 725743853 DDUJSYDMNNJWKW-GOOXQAOHSA-N 468.561 4.225 50 10 JIGE COc1ccc(C(CSc2nc3ccccc3[nH]2)=NNC(=O)c2cccc([N+](=O)[O-])c2)cc1 1083975750 SUYKHAHEKCUZFT-UHFFFAOYSA-N 461.503 4.406 50 10 JIGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc(N3CCCCCC3)cc2C)cc1 1671696022 XUXNURXXKYYPMQ-IBGZPJMESA-N 452.555 4.198 50 10 JIGE CCCN1C(=O)C(=NNC(=O)COc2ccc3cc(Br)ccc3c2)c2cc(OC)ccc21 1772720704 RYJZQDGGGLYXJP-UHFFFAOYSA-N 496.361 4.267 50 10 JIGE Cc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(N(C)C)cc1)C(C#N)=C(N)O2 1865683332 IYAGHIQTPUPHJD-FQEVSTJZSA-N 450.340 4.227 50 10 JIGE Cc1nc(-c2ccc(F)c(F)c2)ccc1C(=O)NNC(=O)c1ccc(I)cc1 1865756888 BSGIXNONOKKQFI-UHFFFAOYSA-N 493.251 4.015 50 10 JIGE COc1ccc(/C=C(\C#N)C(=O)NCc2ccc3n2CCN(C(=O)OC(C)(C)C)[C@@H]3C)cc1OC 1866130410 SWBPSYRZQGDXQE-HNMKQIAWSA-N 480.565 4.040 50 10 JIGE C[C@H](CCBr)N(C)C(=O)c1cc(Br)ccc1I 1917083653 DTJOTXVTCJBMTM-MRVPVSSYSA-N 474.962 4.299 50 10 JIGE COc1sc([C@@H](Br)c2cnn(C)c2I)cc1Br 1946720501 JOUNCYZUQOBKKM-QMMMGPOBSA-N 491.974 4.342 50 10 JIGE CC[C@H](CCBr)NC(=O)c1ccc(Br)cc1I 2026216377 FRMGVRCXWAGBFD-SECBINFHSA-N 474.962 4.347 50 10 JIGE CCc1cc(CBr)cc(I)c1I 2060219920 JNWWNYUUTJISTK-UHFFFAOYSA-N 450.883 4.353 50 10 JIGE CSCC[C@@H](Br)CCNS(=O)(=O)c1cc(Cl)c(Br)s1 2090376813 MRCZBYXSYHPCGT-ZETCQYMHSA-N 471.689 4.349 50 10 JIGE C[C@]1(CBr)COCCN(C(=O)c2cc(Br)sc2Br)C1 2135078091 PHOOWRSDZOULOY-GFCCVEGCSA-N 476.028 4.147 50 10 JIGE CC(C)[C@H]1CN(S(=O)(=O)c2ccc(CCBr)s2)CCN1Cc1ccccc1 2179817369 XDQBKYUVKAALRV-LJQANCHMSA-N 471.486 4.217 50 10 JIGE Cc1cc(S(=O)(=O)N(Cc2ccccc2)C[C@@H]2CCCO2)cc(CBr)c1F 2179861136 CSOYRZQQFLFMQS-SFHVURJKSA-N 456.377 4.399 50 10 JIGE O=C(N[C@H](CBr)[C@@H]1CC=CCC1)c1cc(I)ccc1F 2196155773 KVVZBVMKWGNJJK-QMTHXVAHSA-N 452.105 4.280 50 10 JIGE BrC[C@]12CN(Cc3cc(Br)ccc3Br)C[C@H]1CCO2 2231267536 RVMZJAHGNRCOQK-RISCZKNCSA-N 454.000 4.197 50 10 JIGE O=C(c1cc(Br)sc1Br)N1C[C@@H]2OCCC[C@@]2(CBr)C1 2238793894 HYKRTXLFZRJPHH-TVQRCGJNSA-N 488.039 4.289 50 10 JIGE COc1ccc(C=CC=NNC(=O)C(=Cc2cc(OC)ccc2OC)NC(=O)c2ccccc2)cc1 2297325724 RRQPPYWJGWTBGC-UHFFFAOYSA-N 485.540 4.299 50 10 JIGE CCCOc1ccc(C=C(C#N)C(=O)Oc2ccc(C=C(C#N)C(=O)OCC)cc2OC)cc1 2314736858 YSDMETQTQCDWCZ-UHFFFAOYSA-N 460.486 4.467 50 10 JIGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1ccc(-c2ccccc2)cc1 2314795805 SGFGATSMIQDEOX-UHFFFAOYSA-N 498.535 4.112 50 10 JIGE CCOC(=O)c1c(NC(=O)c2ccc(O[C@H](C)C(=O)NN=Cc3ccc(C)[nH]3)cc2)sc(C)c1C 2321698147 QBPNRZQLZAFXHB-MRXNPFEDSA-N 496.589 4.348 50 10 JIGE COc1ccc(NC(=O)C(C#N)=CNc2ccc(I)cc2)cc1Cl 2324404191 FYCIAUTYEUZLCR-UHFFFAOYSA-N 453.667 4.411 50 10 JIGE CC(C)(CI)CN1CCCC[C@@H]1[C@H]1CCCN(C(=O)C(F)(F)F)C1 2326677099 RXECBWVKCSTPGM-UONOGXRCSA-N 460.322 4.103 50 10 JIGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)[C@H]1[C@H]2CS(=O)(=O)C[C@H]21 2365191253 MKWAXTIBYKLRSR-LRMGWDNHSA-N 491.014 4.386 50 10 JIGE C/C(=N/NC(=O)[C@@]1(C)CC1(Br)Br)c1ccc(NC(=O)C2CCC2)cc1 13147008 NKIMFHQTGOLIHY-FIJRTHIRSA-N 471.193 4.162 50 10 JIGE CCCOc1ccccc1C(=O)NNC(=O)COc1ccc2ccccc2c1Br 14026170 RMNJLLABLIKRMK-UHFFFAOYSA-N 457.324 4.231 50 10 JIGE COc1ccc(/C=C(/C#N)C(=O)NCc2ccccn2)cc1COc1c(F)c(F)cc(F)c1F 20258574 PFEWXAGGDFJZOI-NVNXTCNLSA-N 471.410 4.449 50 10 JIGE Cc1ccc(-c2nnc(S)n2CC(=O)NNC(=O)c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)cc1 21969401 DZCNRRWCQOEAKY-QGZVFWFLSA-N 483.663 4.216 50 10 JIGE COc1ccc(/C(C#N)=C\c2ccc(OC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)c(OC)c2)cc1 31902256 DGKXNBAIMDYJMT-QNGOZBTKSA-N 492.553 4.237 50 10 JIGE CC(C)Cc1nc(N2CCCN(C(=O)C(C)(C)CCl)CC2)c2cnn(-c3ccccc3)c2n1 35925610 HBFIIQHDFKHEHY-UHFFFAOYSA-N 469.033 4.318 50 10 JIGE N#CC1=C(N)Oc2cc(OC(=O)[C@@H]3COc4ccccc4O3)ccc2[C@H]1c1cccc(Cl)c1 38687683 QEEJRELKFLVASG-XZOQPEGZSA-N 460.873 4.304 50 10 JIGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)cc1 58893234 NGPUHZWRJKJMGM-XPRKOMQSSA-N 464.522 4.365 50 10 JIGE COc1cccc(CN(C(=O)CCl)[C@@H](C(=O)NC2CCCCC2)c2ccc(OC)c(OC)c2)c1 97914567 MYCOGWHVJIZIOV-RUZDIDTESA-N 489.012 4.470 50 10 JIGE COc1ccc2sc(NC(=O)c3ccc(S(=O)(=O)N(CCCl)CCCl)cc3)nc2c1 100500242 CAMKGVWUARMKEF-UHFFFAOYSA-N 488.418 4.026 50 10 JIGE COc1ccc(/C=C2\N=C(SCC(=O)/C(C#N)=C(/C)N)N(c3cc(C)cc(C)c3)C2=O)cc1 104678512 ZHRWUOLASSMCBK-GMOKUYFKSA-N 460.559 4.114 50 10 JIGE COCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)COc2ccc(-c3ccccc3)cc2)c(OC)c1 206406876 PJALFTUZXJZMCC-KQWNVCNZSA-N 486.524 4.016 50 10 JIGE COc1cccc(C=NNC(=O)CSc2nnc(CNc3ccccc3)n2-c2ccccc2)c1 252643461 ZUVCMHCZICNBJQ-UHFFFAOYSA-N 472.574 4.130 50 10 JIGE O=C(C1CC1)[C@@H](Br)Cc1ccc(Br)c(I)c1 300902257 LRIZLLLWDPZFNK-JTQLQIEISA-N 457.931 4.339 50 10 JIGE CC[C@H](Br)[C@H](C)NC(=O)c1cc(I)ccc1Br 386803058 QKCONLPODMRTLW-XVKPBYJWSA-N 474.962 4.346 50 10 JIGE 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 504656834 AEDZUDVIFQHWGD-ASKUCELKSA-N 483.443 4.081 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@H]2C[C@H](Br)C[C@H]1C2 709822552 ODWCSBKVODTDAV-INTQDDNPSA-N 498.984 4.442 50 10 JIGE C[C@]1(CBr)CCCN1C(=O)c1cc(I)ccc1Br 723025554 BKNMQYFEIFKCIY-CYBMUJFWSA-N 486.973 4.443 50 10 JIGE Cc1cc(/C=C(/C#N)C(=O)OCC(=O)Nc2ccc3c(c2)OCO3)c(C)n1-c1ccc(F)cc1 786607295 YGUIAFUJGGZIRU-ZDLGFXPLSA-N 461.449 4.051 50 10 JIGE O=C(NN=Cc1cc(Br)ccc1O)/C(=C\c1ccccc1)NC(=O)c1ccccc1 1082990320 HTJKXSWNESBWJC-SLEDPDKESA-N 464.319 4.076 50 10 JIGE Cc1c(C(=O)NCc2ccc3c(c2)OCO3)oc2c1C(=NNC(=O)c1ccccc1Cl)CCC2 1772743765 IDGZOPRTWZEZJN-UHFFFAOYSA-N 479.920 4.371 50 10 JIGE COc1ccc(OC)c(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(O)cc2)CCC3)c1 1772745330 WVFLXDRJSTVDDS-UHFFFAOYSA-N 463.490 4.034 50 10 JIGE Cc1ccnc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2cncc(Br)c2)CCC3)c1 1772747031 KFYXPGUTXPVGOO-UHFFFAOYSA-N 482.338 4.172 50 10 JIGE Brc1cc(C[C@@H]2CCOC[C@H]2Br)ccc1I 1904328562 FNCSWIOMIAULHY-GXSJLCMTSA-N 459.947 4.396 50 10 JIGE O=C(N[C@H]1CCC[C@H]1Br)c1ccc(Br)cc1I 2026216042 CWGARJUCZLJQGD-KOLCDFICSA-N 472.946 4.100 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@H](Br)C2(CC2)C1 2032401574 YAQHCBRJKYZWQR-NSHDSACASA-N 484.957 4.053 50 10 JIGE CN1C(c2ccc(F)cc2)=CSC1=C(C#N)c1nnc(N2CCOCC2)n1-c1ccccc1 2042434482 LMPJHCKNAFPGOT-UHFFFAOYSA-N 460.538 4.112 50 10 JIGE O=C(N[C@@H](CBr)c1ccsc1)c1cccc(F)c1I 2119060557 YJGNRHSPNQJWEF-NSHDSACASA-N 454.102 4.358 50 10 JIGE CCN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cccc(CBr)c1C 2179775773 NZXQLKHSQOJUFL-HXUWFJFHSA-N 451.430 4.175 50 10 JIGE CN(C[C@H]1C[C@H](Br)C1)C(=O)COc1ccc(Br)cc1Br 2196914291 MAHBPLILPXHWEK-HOMQSWHASA-N 469.999 4.222 50 10 JIGE CC1=C(Br)CCN(S(=O)(=O)c2cc(CBr)ccc2Br)C1 2197870446 CEJYHNVKARKRDY-UHFFFAOYSA-N 488.039 4.407 50 10 JIGE C=C1CC(CBr)(NC(=O)c2ccc(I)c(Br)c2)C1 2254185275 RVEMAVUQVJGIQF-UHFFFAOYSA-N 484.957 4.267 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1CCSC[C@H]1CCBr 2268347924 VACXCHVOQVGRGE-SNVBAGLBSA-N 474.589 4.287 50 10 JIGE Cc1cc(=O)oc2cc(OCC(=O)NN=Cc3ccc(OCc4ccc(F)cc4)cc3)ccc12 2328804078 BHFWBMDDGZLQLU-UHFFFAOYSA-N 460.461 4.349 50 10 JIGE CCN(c1ccccc1)S(=O)(=O)c1ccccc1NC(=O)C(C#N)=Cc1ccc(OC)cc1 2329617970 LUTOBMUUPUERHM-UHFFFAOYSA-N 461.543 4.456 50 10 JIGE CCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(OCC(C)C)cc2)cc1 14029818 HJIPELNALBNYMM-UHFFFAOYSA-N 457.596 4.240 50 10 JIGE CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(Cl)cc1Cl 14655680 MGDFPHYKOJGSHZ-UHFFFAOYSA-N 491.194 4.104 50 10 JIGE Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)oc2c1/C(=N/NC(=O)Cc1ccccc1)CCC2 40815680 GOOJUIPGBNWGPZ-JBASAIQMSA-N 488.563 4.089 50 10 JIGE C=C(C)COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H](C(=O)OC)N2C(=O)CCl)cc1OC 43754980 CETJGBPMPWHGCW-CJFMBICVSA-N 482.964 4.386 50 10 JIGE COc1cc(/C=N/NC(=O)CC[C@H](O)c2ccccc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 58887268 KGLFGPADCRRTBN-RASHHNMQSA-N 494.460 4.268 50 10 JIGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cc(Cl)c(OCC#N)c(Cl)c2)cc1 58893925 QXEZGGFKVBNUFT-KTCKORJGSA-N 450.322 4.258 50 10 JIGE O=C(N/N=C/c1cc(Cl)cc(Cl)c1O)C(=O)Nc1ccccc1OC(F)(F)C(F)F 59378972 LFYDSMPRUZELCZ-HCBMXOAHSA-N 468.190 4.025 50 10 JIGE CC1=C(C(=O)N/N=C/c2cccc(Br)c2)[C@@H](c2ccc(Cl)cc2)NC(=S)N1 59384817 HAMPIVULGGRUDO-MMXTWKRJSA-N 463.788 4.046 50 10 JIGE COc1cc(/C=N\NC(=O)c2ccc(N)cc2)cc(Br)c1OCc1ccccc1 138997005 NGZOKGZBWMBACU-MXAYSNPKSA-N 454.324 4.383 50 10 JIGE COc1ccc(CCN/C=C(/C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 216489585 PHCRCAJPFYBWPI-VYIQYICTSA-N 480.612 4.169 50 10 JIGE COc1ccc(NC(=O)COc2ccc(C=NNC(=O)CCSc3ccccc3)cc2)cc1 254351845 WFLPIUFFJWVPSW-UHFFFAOYSA-N 463.559 4.345 50 10 JIGE COc1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)cc1O 382703865 QULVRTHVZCNXHZ-DLBZAZTESA-N 467.303 4.188 50 10 JIGE O=C(c1cc(Br)cc(Br)c1)N1CCSC[C@@H]1CBr 387920531 XWZLXXBFRFZPRE-NSHDSACASA-N 458.013 4.164 50 10 JIGE O=C(NNc1ccc(S(=O)(=O)NC2CC2)cc1)[C@@H](Oc1ccc(F)c(Cl)c1)c1ccccc1 730539661 CKUYYRSZIYNIFQ-QFIPXVFZSA-N 489.956 4.183 50 10 JIGE CCc1ccc(OCC(=O)NN=Cc2cc(OC)c(OC)cc2Cl)c(Br)c1 1084048279 ZTNLIPZBDKPIAV-UHFFFAOYSA-N 455.736 4.211 50 10 JIGE O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)NN=Cc1ccccc1Cl 1084202025 PZEMLDFJOFIVAB-UHFFFAOYSA-N 462.358 4.339 50 10 JIGE CSc1ccc(C=NNC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)cc1 1084222034 IKUZCRWHLSRVNN-UHFFFAOYSA-N 467.616 4.371 50 10 JIGE C=CCOc1ccc(Br)cc1NC(=O)NNC(=O)c1cc2ccccc2cc1O 1678356139 NAYBLVLJMJOLQV-UHFFFAOYSA-N 456.296 4.339 50 10 JIGE COCCOc1ccc(/C=C(\C#N)C(=O)NCc2ccc3n2CCN(C(=O)OC(C)(C)C)[C@@H]3C)cc1 1866213769 BONAYDRFMBQFEQ-SRMPHAGFSA-N 494.592 4.048 50 10 JIGE O=C(CCl)c1ccc(OC(F)(F)F)c(I)c1I 2060034333 JWXSIRYRAJSWIK-UHFFFAOYSA-N 490.384 4.216 50 10 JIGE Cn1cc([C@@H](Br)c2cc(Br)c3c(c2)CCO3)c(Br)n1 2116550998 BAVPAOAZAHMHAT-NSHDSACASA-N 450.956 4.364 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@@H]2C[C@@H](CBr)[C@@H]2C1 2117680406 GWEKIWBVNLOBSX-AUTRQRHGSA-N 498.984 4.157 50 10 JIGE CN(C)C[C@@H]1C[C@H](Br)CN1Cc1cccc(Br)c1Br 2122394011 UFIJNGVZXSIEGG-RYUDHWBXSA-N 455.032 4.111 50 10 JIGE Clc1ccc(I)c(CN2CC[C@H](OCCCBr)C2)c1 2142058167 VWIMWYHZHNMDII-ZDUSSCGKSA-N 458.565 4.321 50 10 JIGE CC1(C)CC(CBr)(CNC(=O)c2cccc(F)c2I)C1 2158301484 LJXWKWQRFYABTJ-UHFFFAOYSA-N 454.121 4.361 50 10 JIGE O=C(c1c(Br)cccc1Br)N1CCC[C@H](OCCBr)C1 2170227320 YYLQETJVCGBBAR-JTQLQIEISA-N 469.999 4.228 50 10 JIGE O=S(=O)(c1cc(CBr)sc1Br)N1CCS[C@H]2CCC[C@@H]21 2179790112 ZRYSBGRKOFPFRE-UWVGGRQHSA-N 461.266 4.064 50 10 JIGE CCCn1cc(S(=O)(=O)N2CCC[C@H](OCc3ccccc3)C2)cc1CBr 2186381568 QABRYQDXEHOXMS-IBGZPJMESA-N 455.418 4.163 50 10 JIGE CN(C[C@H]1C[C@@H]1Br)C(=O)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229137068 XNNJRESWIYIKTJ-VNQPRFMTSA-N 490.236 4.127 50 10 JIGE C[C@@H]1C[C@H](C(F)(F)F)N(CCCCI)CCN1C(=O)OC(C)(C)C 2248245556 GNOBIHWZUPIJHT-CHWSQXEVSA-N 464.310 4.464 50 10 JIGE CCO[C@H]1[C@@H](Oc2cc(Br)cc(I)c2)C[C@H]1Br 2301074368 RFXZPYKCLLHPGW-GRYCIOLGSA-N 475.946 4.373 50 10 JIGE C=CC[C@@H](Br)[C@H]1CCN1S(=O)(=O)c1cc(Br)ccc1Br 2360965489 XJOPDPSIQJLBKG-ZYHUDNBSSA-N 488.039 4.314 50 10 JIGE CC(C)[C@H](Br)C(=O)N1CC[C@@H](CCNC(=O)OC(C)(C)C)C[C@H]1C(F)(F)F 2362754313 SZXHYJPOGVZKFC-RDBSUJKOSA-N 459.347 4.490 50 10 JIGE CCCN1CC[C@H]([C@H](Br)c2ccc(Cl)cc2I)S1(=O)=O 2365558918 NVJWARFFZSFVPB-CHWSQXEVSA-N 492.604 4.195 50 10 JIGE CC[C@H](Oc1ccccc1[C@@H](C)CC)C(=O)NNC(=O)COc1ccc(Br)cc1 10683478 GJHCVUOWFFNZNI-KXBFYZLASA-N 463.372 4.346 50 10 JIGE O=C(NN1C(=O)/C(=C/c2ccco2)N=C1c1ccccc1)[C@@H](Cl)CC(Cl)(Cl)Cl 15223288 VNINXEWTYNHBQU-GFAPJHNFSA-N 461.132 4.308 50 10 JIGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(=O)OC)cc2)c1 38683602 HAKSNPAKGYBXGE-DEOSSOPVSA-N 470.481 4.309 50 10 JIGE O=C(NNc1ncnc(NCCC2=CCCCC2)c1[N+](=O)[O-])c1ccc(Cl)c([N+](=O)[O-])c1 40622203 FDKBDGGZPCULDS-UHFFFAOYSA-N 461.866 4.006 50 10 JIGE COc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)N4CCc5ccccc5C4)c(C)c32)c1 40822363 UGIDLIHBWQTAHB-XAYXJRQQSA-N 457.530 4.266 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1CCCC[C@@H]1CBr 125232405 OKCKLACNQOBCJF-SNVBAGLBSA-N 476.028 4.150 50 10 JIGE CCOc1cc(C(=O)NN=Cc2ccc(OC(=O)c3ccco3)c(OC)c2)cc(OCC)c1OCC 254713617 MFCDQYUVOMIROR-UHFFFAOYSA-N 496.516 4.467 50 10 JIGE C[C@@H]1CC[C@H](CBr)CN1S(=O)(=O)c1cc(Cl)c(Br)s1 688681930 ZFLMOMBYPIGWKW-HTQZYQBOSA-N 451.633 4.348 50 10 JIGE O=C(N[C@@H](CCl)CC(F)(F)F)c1ccc(I)c(Br)c1 721594747 RMBCDJHGYKVWPI-SSDOTTSWSA-N 470.454 4.343 50 10 JIGE O=C(NNC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1)c1ccccc1NS(=O)(=O)c1cccs1 731183394 FWWHZNYAICWYPG-RTWAWAEBSA-N 491.594 4.267 50 10 JIGE C[C@H]1CCc2ccccc2N1C(=O)COC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1 800724048 IDTLHIVOGRPQRD-NGIIGVMLSA-N 479.540 4.282 50 10 JIGE Cc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1cccc([N+](=O)[O-])c1 1084165647 HPQAXCNTEXOXJD-CJLVFECKSA-N 455.518 4.258 50 10 JIGE COc1cc(C=NNC(=O)c2cc(Cl)ccc2O)ccc1OCc1ccc(C(=O)O)cc1 1084558592 KWCWBAGPDOSRGI-UHFFFAOYSA-N 454.866 4.095 50 10 JIGE COc1ccc(N(CC(=O)NN=C(C)c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC 1084624552 ZCAGNTQVHQCCRB-UHFFFAOYSA-N 495.601 4.056 50 10 JIGE O=C(CSC1=N[C@@H](c2ccccc2)[C@H](c2ccccc2)N=N1)NN=C1C(=O)Nc2ccccc21 1088679643 CQBVTCNJSXVPKY-VXKWHMMOSA-N 468.542 4.497 50 10 JIGE CC(C)(CNC(=O)NNC(=O)c1ccc(Br)cc1)c1cccc(C(F)(F)F)c1 1318378159 CUBYIQGPHWSAFT-UHFFFAOYSA-N 458.278 4.390 50 10 JIGE COc1ccc(-c2nn(CC(C)C)c3c2[C@@H](c2ccc(OC)cc2OC)C(C#N)=C(N)O3)cc1 1865707675 CREYXHSVXFZKJR-QFIPXVFZSA-N 460.534 4.450 50 10 JIGE Cc1ccc(SCCCC(=O)NNC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)cc1 1865851974 LYAVSAZCPHFHAD-UHFFFAOYSA-N 492.626 4.153 50 10 JIGE CCOc1cc(/C=N/NC(=O)[C@H](C)NC(=O)OC(C)(C)C)ccc1OCc1ccc(F)cc1 1873794742 YKTYRWIGBVHEIW-HEOQCTJZSA-N 459.518 4.167 50 10 JIGE C[C@@H]1CCCN(c2ncc(I)cc2Br)[C@H]1CBr 2015763559 ZTCVLWRUIVQEOW-KCJUWKMLSA-N 473.978 4.449 50 10 JIGE Brc1cc(I)cnc1N1C[C@H]2CC(Br)C[C@@H]2C1 2015764752 CBEQHFNQHCXBAA-HTQZYQBOSA-N 471.962 4.058 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1[C@H]2CC[C@@H](C2)[C@@H]1CBr 2122173058 RHPPKBXDNDRDLY-FWDPORAESA-N 454.533 4.333 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CC[C@H](Br)[C@@H]2CC[C@H]21 2133723564 QJRBIXIBKDKVEN-TVYUQYBPSA-N 498.984 4.442 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CC[C@H](Cl)[C@@H]2CC[C@@H]21 2133738184 VUOBPZINNPEQJV-GAFUQQFSSA-N 454.533 4.286 50 10 JIGE FC(F)(F)c1cnc(N2C[C@H]3CC[C@@]2(CBr)C3)c(I)c1 2145953245 GWLMVWLNCHLHTH-UFBFGSQYSA-N 461.063 4.459 50 10 JIGE C[C@H]1CCC[C@@H](CNC(=O)OC(C)(C)C)N1S(=O)(=O)c1ccc(CBr)cc1 2163056015 NIQDADOZSLIIAP-HOCLYGCPSA-N 461.422 4.038 50 10 JIGE CC(F)(F)C[C@H](CBr)NS(=O)(=O)c1cc(Br)ccc1Br 2169537268 HLUZXMHNWICBFN-MRVPVSSYSA-N 499.997 4.299 50 10 JIGE O=C(c1cc(I)ccc1F)N1C[C@H](Br)C2(CCCC2)C1 2174372441 YENBVHNXUXQITD-ZDUSSCGKSA-N 452.105 4.210 50 10 JIGE CN([C@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(CBr)ccc1F 2179788381 BRLLMHQHGXDHBY-SFHVURJKSA-N 455.393 4.006 50 10 JIGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1CCC=C[C@H]1CBr 2182346090 DYKPRRJLPMTVHR-VIFPVBQESA-N 464.006 4.470 50 10 JIGE O=S(=O)(N[C@@H]1CC[C@H]2C[C@]21CBr)c1cc(Br)ccc1Br 2188622269 DZJCZUCGRODCRZ-CKLFPEKLSA-N 488.039 4.054 50 10 JIGE O=C(c1cc(I)ccc1O)N1CCCC[C@@H]1CCCBr 2206676136 ZUTKFRZAGCZFTH-GFCCVEGCSA-N 452.130 4.167 50 10 JIGE CN(C[C@H](Cl)COCc1ccccc1)C(=O)c1c(F)cccc1I 2247967648 LEQFWDRHKGHSGL-AWEZNQCLSA-N 461.702 4.327 50 10 JIGE O=S1(=O)CCC[C@H]([C@@H](Br)Cc2cc(Br)cc(Br)c2)C1 2277963362 UBPNZIUTXLMLPF-GWCFXTLKSA-N 475.040 4.342 50 10 JIGE COC[C@@](C)(CBr)N(C)C(=O)Cc1cc(Br)cc(Br)c1 2295318126 WDDJHACUNXAFOR-CQSZACIVSA-N 472.015 4.013 50 10 JIGE Cc1cc(C=C(C#N)C(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)c(C)n1CCC(C)C 2297356697 MWPVQLGFCYLAOV-LJQANCHMSA-N 465.550 4.400 50 10 JIGE Cc1noc(NS(=O)(=O)c2ccc(NC(=O)C(C#N)=Cc3cccc(Cl)c3)cc2)c1C 2329684311 HIEJEOPHMFNMFM-UHFFFAOYSA-N 456.911 4.291 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CC[C@H]2C[C@]1(CCl)C2 2336563715 CGCZOSUMQAEYNG-DEZZCRIOSA-N 454.533 4.287 50 10 JIGE CC1CC(CBr)(CN(C)Cc2c(Br)c(Br)nn2C)C1 2338953903 PZRBANJGWLLNFD-UHFFFAOYSA-N 458.036 4.188 50 10 JIGE Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)NNC(=O)c1cn(C)c2ccccc12 16235585 CMUHIPSOTYGSPA-UHFFFAOYSA-N 454.939 4.250 50 10 JIGE COC(=O)c1ccc(/C=N/NC(=O)CCCSc2nc3ccc([N+](=O)[O-])cc3s2)cc1 20805902 BWWYXCBTWKSMDO-CIAFOILYSA-N 458.521 4.014 50 10 JIGE CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1 40864923 BZMBGVGKEZXAIZ-KNTRCKAVSA-N 477.546 4.002 50 10 JIGE CCOC(=O)/C(C#N)=C(\O)c1ccc(N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc1 103940229 LLXYQOQESHNDOF-JBZGXDBOSA-N 490.515 4.439 50 10 JIGE O=C(NNc1ccc(F)c(F)c1F)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 110781033 CMMSEJBBSCDXRV-UHFFFAOYSA-N 461.893 4.079 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N(CCCl)CC(F)(F)F 231590533 CNZMTIFEUIGLSX-UHFFFAOYSA-N 459.509 4.003 50 10 JIGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc(O)cc3O)cc2OCC)cc1 254403452 LYSZJZSCZVJWPF-UHFFFAOYSA-N 478.501 4.268 50 10 JIGE Cn1c(=O)oc2cc([C@H](Br)c3sccc3I)ccc21 311810166 AZPHFSUZKRGSKR-NSHDSACASA-N 450.095 4.282 50 10 JIGE C[C@@H](COc1c(Br)cc(CBr)cc1Br)CS(C)(=O)=O 706188959 YSDJOSLROZRCCP-QMMMGPOBSA-N 479.028 4.166 50 10 JIGE O=C(NC1(CCBr)CCSCC1)c1cccc(I)c1 719721045 UBWPQVZQAZOFNU-UHFFFAOYSA-N 454.171 4.072 50 10 JIGE COCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)c1C 726536934 JEHGCQJNIBRHKL-CWGWECIMSA-N 477.540 4.254 50 10 JIGE O=C(NN=Cc1cc(Br)cc(I)c1O)c1cc2ccccc2o1 1083983357 ODQIXBGSSMGAQU-UHFFFAOYSA-N 485.075 4.269 50 10 JIGE CCOc1cc(C=NNC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)ccc1O 1084459144 SNOFNZXSBOQJBZ-UHFFFAOYSA-N 482.880 4.369 50 10 JIGE NC(=O)Cn1cc(C=NNC(=O)COc2ccc(Cl)cc2C2CCCCC2)c(-c2ccccc2)n1 1084465977 OMASRBKLFIKABG-UHFFFAOYSA-N 493.995 4.266 50 10 JIGE Cc1oc(-c2ccc(C(C)(C)C)cc2)nc1CC(=O)N[C@@H](CO)C(=O)Nc1ccc(SC#N)cc1 1866680459 RGOAUACOMNPPJX-QFIPXVFZSA-N 492.601 4.179 50 10 JIGE O=C(O)c1cc(Br)cc(Br)c1NC(=O)[C@H]1C[C@H](Br)C1 1887778212 QFMBGHOWYXNHTN-IZLXSQMJSA-N 455.928 4.022 50 10 JIGE CC(C)N(C[C@@H](C)Br)c1ncc(I)cc1Br 1988532042 AQQMZXVYNIZVEM-MRVPVSSYSA-N 461.967 4.447 50 10 JIGE CCc1ccc(-n2nc(CBr)c(I)c2C(F)(F)F)nc1 2078926089 DVWVDEJHPABFFO-UHFFFAOYSA-N 460.035 4.348 50 10 JIGE O=C(NC[C@@H](CBr)C(F)(F)F)c1ccc(I)c(Cl)c1 2105271759 RZIWTAVBOBHDHF-SSDOTTSWSA-N 470.454 4.248 50 10 JIGE C[C@@H](Br)CN1CCN(Cc2cccc(Br)c2Br)CC1 2113860874 IFVHBEDAELKVAT-LLVKDONJSA-N 455.032 4.113 50 10 JIGE CC[C@H](C)[C@@H](CI)NS(=O)(=O)c1c(C)sc(C)c1Br 2136497443 TWQXDZKLOPABJC-OIBJUYFYSA-N 480.231 4.255 50 10 JIGE O=S(=O)(NCC1(F)CC(CBr)C1)c1cc(Br)ccc1Br 2143388777 QHTZDMIDCGRIEN-UHFFFAOYSA-N 494.018 4.003 50 10 JIGE CC[C@]1(CBr)COCCN1C(=O)c1cccc(Br)c1Br 2169030529 WTXUSLFEQPMPSY-AWEZNQCLSA-N 469.999 4.228 50 10 JIGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)c1ccc2c(c1)CCS2(=O)=O 2170067675 OUKJNOPLUSQDRS-IBGZPJMESA-N 450.398 4.078 50 10 JIGE O=C(NCC[C@@H]1CCCC[C@H]1Br)c1ccc(I)c(O)c1 2179637977 VLFZIWNYURUZNR-CMPLNLGQSA-N 452.130 4.070 50 10 JIGE CN([C@@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]21)S(=O)(=O)c1ccc(CBr)o1 2190546537 HJFJPXSJJNFSSK-GDAAHCPNSA-N 454.386 4.179 50 10 JIGE CC[C@H](C)[C@H](CI)NS(=O)(=O)c1ccc(Cl)c(F)c1Cl 2201197207 YODYNIWKWUPNNU-CBAPKCEASA-N 454.132 4.261 50 10 JIGE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)NCC1CC(Br)C1 2229108893 CHJQKWZSZYPPPS-BCLQGDPASA-N 490.236 4.175 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)NC[C@@H](CBr)C1CC1 2277922667 BHVIRLOMQVBMJK-LLVKDONJSA-N 454.000 4.291 50 10 JIGE C[C@@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2C(=O)c1c(F)cccc1I 2282792384 PQMZDRWJIGUIMS-ORXSELOVSA-N 452.105 4.207 50 10 JIGE COc1ccc(NC(=O)C(=O)NN=C(C)CC(=O)Nc2cc3oc4ccccc4c3cc2OC)cc1 2297708729 KFRYUMPBXNJCNY-UHFFFAOYSA-N 488.500 4.063 50 10 JIGE CCCOc1ccc(C=C2C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1 2314616549 DHGXIVHZOKRUKB-UHFFFAOYSA-N 460.530 4.328 50 10 JIGE CCOc1ccc(C=CC(=O)NNC(=O)c2ccc(-c3ccc(F)cc3F)nc2C)cc1OC 2321152262 YQHDJCDMRYIVEC-UHFFFAOYSA-N 467.472 4.217 50 10 JIGE CCCCCCOc1ccc(C(=O)NNC(=O)COc2ccc([N+](=O)[O-])cc2)cc1Br 14640746 XYGNIBXEPOESSF-UHFFFAOYSA-N 494.342 4.156 50 10 JIGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)c1 38659851 JZGQUFYKMRTROR-ODCWNRFASA-N 490.487 4.434 50 10 JIGE Cc1cccc(Nc2ncnc(NNC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2[N+](=O)[O-])c1C 40620666 PMUIBUYKJLPTCI-UHFFFAOYSA-N 457.834 4.064 50 10 JIGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)/C(C#N)=C/c2ccc(OCC)cc2)c(OCC)c1 40867244 GWZSZWYDCHIPSN-AQPIEGPOSA-N 460.486 4.467 50 10 JIGE CCOC(=O)c1ccc(-c2ccc(/C=N\NC(=O)CC[C@@H](O)c3ccc(OCC)cc3)o2)cc1 58893122 NOIXANFXLDXPMH-MFSPXNBESA-N 464.518 4.486 50 10 JIGE CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2Cl)C(=O)NN=Cc2ccc(O)cc2)cc1 252640443 YUBKMNVYANIHLW-LSVGNDNUSA-N 462.937 4.033 50 10 JIGE O=C(/C=C/c1ccco1)Oc1cccc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)c1 254832949 WQTDNRNTGKPZFB-XHURXTTDSA-N 466.493 4.285 50 10 JIGE CCOc1cc(C=NNC(=O)CSc2nnc(N)s2)ccc1OCc1c(F)cccc1Cl 256028261 BMNQRTZKDHPJCB-UHFFFAOYSA-N 495.989 4.133 50 10 JIGE O=S1(=O)CCCC[C@H]1COc1c(Br)cc(CBr)cc1Br 694406890 NRFGKUMMVXDVAP-JTQLQIEISA-N 491.039 4.453 50 10 JIGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(C)n(-c3ccccc3C(=O)OC)c2C)cc1 1084161835 YRJFSGYVZUYURQ-VWLOTQADSA-N 477.561 4.243 50 10 JIGE C#Cc1cccc(NC(=O)CNC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)c1 1351038775 LXKQDUHBTREULZ-STZFKDTASA-N 456.933 4.391 50 10 JIGE Cc1c(C(=O)NNC(=O)c2cccc(Cl)c2)oc2c1C(=NNc1ccc([N+](=O)[O-])cc1)CCC2 1772748281 UAQNSKDXVQYOSX-UHFFFAOYSA-N 481.896 4.377 50 10 JIGE COc1ccc(CCN2C(=O)c3ccc(C(=O)Nc4ccc(SC#N)cc4)cc3C2=O)cc1 1859466981 JBKXLFRXDMUWRE-UHFFFAOYSA-N 457.511 4.359 50 10 JIGE CCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865695447 CQJOGHNINGEHCR-HXUWFJFHSA-N 465.351 4.489 50 10 JIGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1 1865713098 QSAVBBWDFJCZBH-INIZCTEOSA-N 457.368 4.026 50 10 JIGE CC(C)CSc1ccccc1C(=O)NNC(=O)[C@@H](C)n1cnc2sc3c(c2c1=O)CCCC3 1865851650 FPWIYDZVDGXOPM-OAHLLOKOSA-N 484.647 4.107 50 10 JIGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2nc(C3CC3)n3ccccc23)cc1 1866860007 VDMRVLGCWAMNHD-QFIPXVFZSA-N 497.580 4.470 50 10 JIGE CCC[C@@H](NC(=O)c1cc(-c2cccc(OC)c2)on1)C(=O)Nc1ccc(SC#N)cc1 1867143327 GZZBIIIJYCFLRP-LJQANCHMSA-N 450.520 4.461 50 10 JIGE O=C(Nc1ccc(I)c(Br)c1)C1CC(Br)C1 1991408549 GMWXPYATQNFSQK-UHFFFAOYSA-N 458.919 4.166 50 10 JIGE O=C(c1cc(Br)ccc1Br)N1C[C@@H]2[C@@H](CBr)C[C@H]2C1 2117691616 WOJXYWPDROFSPU-VDDIYKPWSA-N 451.984 4.315 50 10 JIGE C[C@](CBr)(NS(=O)(=O)c1ccc(Br)cc1Cl)C(F)(F)F 2161374131 FDPJSJJKCSXWGF-SECBINFHSA-N 459.509 4.097 50 10 JIGE O=S(=O)(c1csc(CBr)c1)N1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 2179818597 BIZNZXDEFQJFAH-PXNSSMCTSA-N 469.470 4.318 50 10 JIGE COc1cc(Br)ccc1C[C@H](Br)CN1C(=O)c2ccccc2C1=O 2210044492 NMCAYLSZKUEXEP-ZDUSSCGKSA-N 453.130 4.060 50 10 JIGE CCN(C[C@@](C)(CI)OC[C@@]12C[C@@H](CO1)C2(C)C)C(=O)OC(C)(C)C 2260698388 HMHNARZEAOUNJP-GDIGMMSISA-N 467.388 4.269 50 10 JIGE N#CC(=Cc1c(N2CCCCCC2)nc2ccccn2c1=O)S(=O)(=O)c1ccc(Cl)cc1 2296848536 BWMVHODCWIHCOZ-UHFFFAOYSA-N 468.966 4.067 50 10 JIGE CCN(C[C@](C)(CI)OC[C@H]1O[C@H]2CC[C@H]1C2)C(=O)OC(C)(C)C 2307488055 NWEREYURPILLLK-AFIMGQEJSA-N 453.361 4.021 50 10 JIGE CCOc1cc(C=C(C#N)C(=O)N(C)C)cc(Br)c1OCc1ccc2c(c1)OCO2 2313567647 JQHDCMCHFOVYHR-UHFFFAOYSA-N 473.323 4.151 50 10 JIGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C1CS(=O)(=O)C1 2317399853 KKKOOGDRXDZWKM-SECBINFHSA-N 464.976 4.140 50 10 JIGE O=C(N[C@H]1C[C@@H](CCl)[C@H]2C[C@H]12)c1ccc(I)c(Br)c1 2329878486 ZPVXUNBQXUXRCD-WJZNIJOASA-N 454.533 4.047 50 10 JIGE O=C(N[C@H]1C[C@@H]2C[C@H]1C[C@@H]2Br)c1ccc(I)c(Br)c1 2330912367 CTPNYZPIEIDLSQ-YVNDNENWSA-N 498.984 4.346 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1C[C@H]2C[C@H]1CC[C@H]2Br 2340063236 IRJJGEYOZAUCHT-HLUHBDAQSA-N 454.533 4.333 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2349655826 LWGSZSNWEGBRMD-GZOXUSKESA-N 495.711 4.133 50 10 JIGE CN1CC(C)(C)[C@H]1CO[C@](C)(CI)c1ccccc1Br 2360385878 DNSQEDBWTQRQHY-GDBMZVCRSA-N 452.174 4.456 50 10 JIGE O=C(c1ccc(I)cc1)N1CC[C@@H](Br)C[C@@H]1C(F)(F)F 2361451833 DCHMQSRDHBPHNJ-MWLCHTKSSA-N 462.047 4.222 50 10 JIGE CC(C)COc1cccc(C(=O)NC(=S)NNC(=O)c2ccccc2OCc2ccccc2)c1 10283964 VAXFNTKNLBYXIZ-UHFFFAOYSA-N 477.586 4.250 50 10 JIGE O=C(NC(=S)NNC(=O)c1ccccc1Br)c1ccc(OCCc2ccccc2)cc1 14041908 CFXJOHRQHBCCKQ-UHFFFAOYSA-N 498.402 4.020 50 10 JIGE N#C/C(=C/c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1F 33930442 SWUQHNXZNIBSQV-YBEGLDIGSA-N 476.376 4.407 50 10 JIGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(F)cc4)ccc32)c1 38684857 IHLBVQXVEJMVBR-RUZDIDTESA-N 460.461 4.427 50 10 JIGE CCCN(CCBr)S(=O)(=O)c1cc(Br)ccc1Br 125603324 YMOCINWHERIRNU-UHFFFAOYSA-N 464.017 4.007 50 10 JIGE Cc1cccc(NC(=O)C(=O)NN=Cc2ccc(OC(=O)c3cccc4ccccc34)cc2)c1 254413612 WJQFDCWYLPSLFC-UHFFFAOYSA-N 451.482 4.456 50 10 JIGE C[C@@]1(CBr)CCN(C(=O)c2cc(I)ccc2Br)C1 381470975 LDPZEHSWVBOYDH-ZDUSSCGKSA-N 486.973 4.301 50 10 JIGE C[C@@H]1CC[C@H](Br)CN1C(=O)c1cc(Br)ccc1I 399428748 QJOHYCHDEDVOJR-SCZZXKLOSA-N 486.973 4.442 50 10 JIGE C=CCn1c(CNc2ccccc2)nnc1S[C@@H](C)C(=O)NN=Cc1c(C)nn(C(C)C)c1C 1084486746 SQRFBCFKMUXFFR-IBGZPJMESA-N 480.642 4.101 50 10 JIGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)c1OC 1865700860 GEPJJUURRYODDW-KRWDZBQOSA-N 474.414 4.325 50 10 JIGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2cccc(OC)c2OC)cc1 1865701359 UADWVZCWRBXXDQ-QGZVFWFLSA-N 472.423 4.135 50 10 JIGE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(Cl)c([N+](=O)[O-])c1 1865706217 QLGXMYWQDMUTOR-SFHVURJKSA-N 451.870 4.358 50 10 JIGE CC(C)CSc1ccccc1C(=O)NNC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O 1865852017 NEGIKCIUDZUJMG-UHFFFAOYSA-N 492.626 4.334 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)NC2(CCBr)CC2)cc1Br 1877677783 ZQZMQEYCVCRUGP-UHFFFAOYSA-N 476.028 4.116 50 10 JIGE Cc1nc(I)c(I)n1-c1ncc(Cl)cc1CCl 1941544252 IZMANMGAJYWMGW-UHFFFAOYSA-N 493.901 4.177 50 10 JIGE CN(C(=O)c1csc(I)c1)[C@@H](CCBr)C(F)(F)F 2058219521 ISICXYOEALHVTL-ZETCQYMHSA-N 456.065 4.141 50 10 JIGE Cc1c(F)cnc(-n2nc(CBr)c(I)c2C(F)(F)F)c1F 2078916548 VAWZDIKDECYYSU-UHFFFAOYSA-N 481.988 4.372 50 10 JIGE O=C(N[C@H](CBr)CC(F)F)c1ccc(Br)cc1I 2086138836 GVTUBIGEZGWKQR-ZETCQYMHSA-N 496.915 4.202 50 10 JIGE C[C@@]1(CCBr)CCN1C(=O)c1ccc(Br)cc1I 2086146920 GYNHGLLULQPJMU-CYBMUJFWSA-N 486.973 4.443 50 10 JIGE CCN(CC)S(=O)(=O)C[C@H](Br)c1c(Br)cccc1Br 2094098339 NMBAMKGZYSNTPJ-NSHDSACASA-N 478.044 4.319 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@H]2C[C@H](Br)C[C@H]2C1 2128630826 IAKBUFLXLJYHQG-MYJAWHEDSA-N 498.984 4.299 50 10 JIGE O=C(N[C@H]1C[C@@H]([C@@H](F)CCl)C1)c1ccc(Br)cc1I 2142283226 NGRMUZPOGATATH-NMLBEHRDSA-N 460.512 4.139 50 10 JIGE Cn1cc(Br)c(-n2c(CCl)nc3cc(I)c(F)cc32)n1 2155766296 UWYFTUIXBDSXGM-UHFFFAOYSA-N 469.483 4.004 50 10 JIGE COc1cc(S(=O)(=O)N(Cc2ccccc2)CC(C)C)cc(CBr)c1OC 2179829844 FOJJNNKERBEXMT-UHFFFAOYSA-N 456.402 4.446 50 10 JIGE C[C@@H](Br)COCc1cn(-c2ccc(Cl)c(I)c2Cl)nn1 2295833245 NPGHTQJXTYHPOR-SSDOTTSWSA-N 490.954 4.479 50 10 JIGE N#CC(C(=O)NCCc1ccccc1)=C1NC(=NC(=O)c2ccccc2Cl)c2ccccc21 2296240108 HRNGBGVZCNOMAX-UHFFFAOYSA-N 454.917 4.124 50 10 JIGE O=S(=O)(Cc1ccsc1Br)N[C@@H](CCCl)COCc1ccccc1 2303767142 RWOJBSNPHLVRJM-HNNXBMFYSA-N 452.823 4.144 50 10 JIGE COc1ccc(C(C#N)=Cc2cccc(OC(=O)CCN3C(=O)c4ccccc4C3=O)c2)cc1OC 2320511029 KKZBSHVDBWHLGW-UHFFFAOYSA-N 482.492 4.360 50 10 JIGE CCN(CC)C(=O)COc1ccc(C=NNC(=O)c2ccc(-c3ccc(F)cc3F)nc2C)cc1 2321242945 TWFAAPYUDYPOOW-UHFFFAOYSA-N 480.515 4.346 50 10 JIGE C[C@@H](C(=O)NN=Cc1ccc(F)c(Br)c1)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 2325903262 NAEVGDIDJBOUDG-NEPJUHHUSA-N 491.386 4.196 50 10 JIGE Clc1ccc(I)cc1CN1C[C@H](CBr)OCC12CC2 2352413117 CYTBIGVWFLQTRJ-LBPRGKRZSA-N 456.549 4.073 50 10 JIGE CC1(C)CCCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)[C@H]1CBr 2364214467 GRAGLIJJWFUDEJ-IBGZPJMESA-N 499.471 4.058 50 10 JIGE CCCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)[C@H](C)Oc1ccc(C)c(C)c1 10154166 RWZASRDGRLEASY-IBGZPJMESA-N 471.623 4.366 50 10 JIGE C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NNC(=O)COc1ccc(Br)cc1Cl 14665905 TUAVOQJAJGNDEB-CYBMUJFWSA-N 483.790 4.394 50 10 JIGE CN(C)c1ccc(/C=N/NC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2Cl)cc1 33349095 IGAYSYHWKZFYHG-JPCQLYNOSA-N 452.967 4.389 50 10 JIGE O=C(NNc1ncnc(Nc2cc(Cl)ccc2Cl)c1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 40646579 CYGPFRXGQXSPPC-UHFFFAOYSA-N 464.225 4.100 50 10 JIGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2cccc(Br)c2)c(OCC)c1 40867308 JNJIGALHVYPADB-MHWRWJLKSA-N 474.307 4.302 50 10 JIGE O=C(COc1ccccc1Cl)N/N=C/c1cc(O)c(Br)cc1Br 102960449 ZKCLHWLMVGNYKU-FBCYGCLPSA-N 462.525 4.100 50 10 JIGE COc1c(Br)cc(/C=N\NC(=O)c2ccc(C)cc2)c(OC)c1Br 169885931 TZHZDWSWJZJJKA-UKWGHVSLSA-N 456.134 4.301 50 10 JIGE COc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2OC)cc1OC 206500306 OUZUXIPDUMOCIX-VQRBOHHBSA-N 488.496 4.148 50 10 JIGE CCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc3cc(C(=O)NCC(C)C)c(=O)oc3c2)cc1 206545858 FLMAAKWUTFGTQS-NDENLUEZSA-N 474.513 4.480 50 10 JIGE CC[C@@H](NC(=O)/C(C#N)=C\Nc1ccc(N2CCN(C)CC2)cc1)c1ccc2c(c1)CCCC2 217191609 LVOUCLQJSGUKAE-HNMPSHKWSA-N 457.622 4.404 50 10 JIGE CC(C)(CCBr)NC(=O)c1cc(Br)ccc1I 232519981 WGHDYPWQFONMAC-UHFFFAOYSA-N 474.962 4.347 50 10 JIGE COc1cc(C)c(Br)cc1[C@H](Cl)c1cnn(C)c1I 381883325 IFGKEPGZCBHMBN-LBPRGKRZSA-N 455.521 4.432 50 10 JIGE O=C(NCCC1(CBr)CC1)c1cc(Br)ccc1I 395960095 SNRSURMMBGAKLE-UHFFFAOYSA-N 486.973 4.349 50 10 JIGE CC(=O)O[C@](C)(CBr)C(=O)[C@@H](Br)[C@@H](Br)c1ccccc1 575448803 HJINCWAXZPNGLV-SGMGOOAPSA-N 470.983 4.172 50 10 JIGE CO[C@]1(c2cc(OP(=O)(O)O)ccc2Cl)OO[C@@]12[C@H]1C[C@H]3C[C@@H]2C[C@@](Cl)(C3)C1 605691680 NOXRGRGCSIAHSL-KFSOEMLJSA-N 451.239 4.129 50 10 JIGE C[C@@H]1CCCN(C(=O)c2ccc(F)cc2I)[C@H]1CCBr 700330556 UWUIETMICBEATQ-YGRLFVJLSA-N 454.121 4.456 50 10 JIGE CCO[C@H](CO[C@@](C)(CI)CN(CC)C(=O)OC(C)(C)C)C1CC1 703477663 DWBBTVWKRYIBNY-QAPCUYQASA-N 455.377 4.269 50 10 JIGE C[C@H](Br)[C@H]1CCN(S(=O)(=O)c2cc(Br)ccc2Br)C1 719788531 YGLSVFILRMHSQW-IUCAKERBSA-N 476.028 4.006 50 10 JIGE CC(C)(C)c1ccc(COc2ccc(Br)cc2/C=C\C(=O)NNC(N)=S)cc1 1082441610 VBHHHPOYQUYCTD-WDZFZDKYSA-N 462.413 4.203 50 10 JIGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(O)c(OC)c1)C(C#N)=C(N)O2 1865705999 LMIKPDOVYBWETQ-HXUWFJFHSA-N 454.889 4.219 50 10 JIGE CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1cc(OC)c(OC)cc1OC)C(C#N)=C(N)O2 1865710516 AKSPFAFSUQMUSU-HSZRJFAPSA-N 478.524 4.267 50 10 JIGE COc1ccc([N+](=O)[O-])c(C(=O)NNC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)nc2C)c1 1865759320 UFPMGWBWTHVKNA-UHFFFAOYSA-N 475.288 4.355 50 10 JIGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)cc1 1872746008 NNYYFUQHIZYRJB-MNDPQUGUSA-N 476.470 4.206 50 10 JIGE CN(CCN(Cc1ccccc1)S(=O)(=O)CCC(CCl)CCl)Cc1ccccc1 1958799480 LAYTWKWVQXJFFR-UHFFFAOYSA-N 457.467 4.434 50 10 JIGE CC1(C)CN(c2ncc(I)cc2Br)C[C@H]1Br 1988532213 DCPHHQNGBVRYMG-SECBINFHSA-N 459.951 4.058 50 10 JIGE C[C@H]1CN(c2ncc(I)cc2Br)CC[C@@H]1Br 1988539115 CAHTWBIZEOKDCY-CBAPKCEASA-N 459.951 4.058 50 10 JIGE O=C(c1scc(Br)c1Br)N1CC2(C1)OCCC[C@H]2Br 2103412114 PBXVRPRGDWTCJG-MRVPVSSYSA-N 474.012 4.042 50 10 JIGE C[C@H]1CN(C(=O)c2ccc(I)c(Br)c2)CC[C@@H]1CCl 2109036461 TWYWEOPEYFKQPF-GXSJLCMTSA-N 456.549 4.391 50 10 JIGE C[C@@H]1C[C@H](N(C)S(=O)(=O)c2cc(CCl)ccc2Br)CN1Cc1ccccc1 2154839538 KKUAHSMWVNODNQ-QAPCUYQASA-N 471.848 4.471 50 10 JIGE CCN([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(CBr)c(C)c1 2179788825 HYXUNEVYBCCOGS-FQEVSTJZSA-N 451.430 4.175 50 10 JIGE CC(F)(F)[C@H]1CCN(S(=O)(=O)c2cc(CBr)sc2Br)C1 2179794643 JGLXOFKLXQSMIO-ZETCQYMHSA-N 453.168 4.071 50 10 JIGE CC(C)[C@@H]1CN(S(=O)(=O)c2ccccc2CBr)CCN1Cc1ccccc1 2179812898 SWDDACSGFMGCDF-FQEVSTJZSA-N 451.430 4.113 50 10 JIGE C[C@H]1[C@@H](C(F)(F)F)N(CCCCI)CCN1C(=O)OC(C)(C)C 2243586268 NORIIGQPMYBWCI-RYUDHWBXSA-N 450.283 4.074 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OCC23CC(C(F)F)(CO2)C3)C1 2266240711 LVHTXTPAOFDYMT-ADKAHSJRSA-N 487.325 4.022 50 10 JIGE COc1ccc(C(=O)Oc2ccc(C=C(C#N)C(=O)Nc3ccc([N+](=O)[O-])cc3OC)cc2)cc1 2295459695 OFEKJEVDAIJSMG-UHFFFAOYSA-N 473.441 4.377 50 10 JIGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1ccc(Br)c(O)c1 2303701174 WRKVZUARLFBXQE-HNNXBMFYSA-N 457.162 4.255 50 10 JIGE COc1ccc(CCN2C(=O)C(=CNc3ccc(Br)cc3)C(C)=C(C#N)C2=O)cc1 2314579072 IVBFAEXGDNIBCV-UHFFFAOYSA-N 466.335 4.205 50 10 JIGE C[C@H]1CN(Cc2ccc(Cl)cc2I)C[C@H](CCBr)O1 2341011040 KOTPUDJOUPOZLO-GWCFXTLKSA-N 458.565 4.319 50 10 JIGE Clc1ccc(I)cc1CN1CC2(C1)OCCC[C@@H]2Br 2352420143 MJWJTWKLBOVCSB-ZDUSSCGKSA-N 456.549 4.073 50 10 JIGE COc1ccc(/C=N/NC(=O)c2cc(O)c(O)c(O)c2)cc1COc1cc(C)c(Cl)c(C)c1 1499708 QFTAWFSISYAPJK-KBKYJPHKSA-N 470.909 4.425 50 10 JIGE O=C(NNC(=S)NC(=O)c1ccccc1Br)c1ccc(-c2ccccc2)cc1 12500871 GAOBVHFJVCASNV-UHFFFAOYSA-N 454.349 4.065 50 10 JIGE O=C(/C=C\c1cccc2ccccc12)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 33402320 NNVDLJBPODSJRR-SDXDJHTJSA-N 494.576 4.441 50 10 JIGE COCCCNC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 40822548 ZBXOAMPEHGLVRG-QUPMIFSKSA-N 459.546 4.492 50 10 JIGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)/C(C#N)=C\c1ccc(C(C)C)cc1 207204467 PKXJJBNSKJJDAR-GABCUZQJSA-N 485.540 4.097 50 10 JIGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C/c2ccc(-c3ccc(C(=O)OCC)cc3)o2)C1=O 214300264 FJNPGGCAWOOCNX-QNGOZBTKSA-N 462.502 4.142 50 10 JIGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3cccc([N+](=O)[O-])c3)cc2OCC)cc1 254501779 VTXFDRDOAOTBRW-UHFFFAOYSA-N 477.473 4.375 50 10 JIGE Cc1cc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)n1-c1cccc(C(=O)O)c1 254757256 HAULLHNCCZHJRI-UHFFFAOYSA-N 467.525 4.179 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CCC[C@H]1CCBr 380707410 ZAXMVMSZHXIEEC-JTQLQIEISA-N 486.973 4.443 50 10 JIGE O=C(NC1(CBr)CCCC1)c1ccc(I)c(Br)c1 721617787 YMYSAQZFLBBCTN-UHFFFAOYSA-N 486.973 4.491 50 10 JIGE COC(=O)[C@H](NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(OC)cc2)c1C)c1ccc(OC)cc1 729656547 GSUOYDZBJWXUBC-KQQLFIIESA-N 473.529 4.049 50 10 JIGE CC(C)(C)c1ccc(C=c2sc3n(c2=O)C(N)=C(C#N)[C@H](c2ccc(C(C)(C)C)cc2)C=3C#N)cc1 1083999095 KZSOBEWKWOJBJP-VWLOTQADSA-N 494.664 4.456 50 10 JIGE CC(=O)N[C@@H](C(=O)NN=C(c1ccccc1)c1ccccc1)c1cccc(Br)c1 1355156099 KCHJVTYUSZPDTR-JOCHJYFZSA-N 450.336 4.195 50 10 JIGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@H](c2cccc(OC)c2O)C(C#N)=C(N)O3)cc1 1865683482 FPVGOFLBLQASEM-HSZRJFAPSA-N 496.523 4.489 50 10 JIGE Cc1nc(-c2ccc(F)c(F)c2)ccc1C(=O)NNC(=O)CCC(=O)c1ccc(Cl)cc1 1865757059 LFFXJCDUAKBTCN-UHFFFAOYSA-N 457.864 4.413 50 10 JIGE CCc1cc(I)c(C(=O)CBr)cc1I 2060145299 BMNIOGOVNVGOPT-UHFFFAOYSA-N 478.893 4.036 50 10 JIGE CCC[C@@H](Br)CCNS(=O)(=O)c1cc(Br)ccc1Br 2090388433 SICNKVCABXJBTO-SECBINFHSA-N 478.044 4.444 50 10 JIGE Brc1ccc(CC[C@H](Br)CN2CCOCC2)c(Br)c1 2099491986 GLGHBDRCUAVALB-ZDUSSCGKSA-N 456.016 4.240 50 10 JIGE CC[C@@]1(CBr)COCCN1Cc1cc(Cl)ccc1I 2112713503 NPSPEICEMYZACS-CQSZACIVSA-N 458.565 4.321 50 10 JIGE C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)N(S(=O)(=O)c2cc(CBr)cs2)C1 2123230666 ULYRUHZMESRJHC-HZPDHXFCSA-N 457.459 4.174 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1CC[C@]12C[C@@H](CBr)C2 2125793752 PKZBXEYGTADLCA-KMHCFJFGSA-N 454.533 4.334 50 10 JIGE FC(F)(F)c1cnc(N2C[C@@H](Br)C3(CCC3)C2)c(I)c1 2165056944 GAYOJXMVAYWTAC-SNVBAGLBSA-N 461.063 4.459 50 10 JIGE C[C@H]1CN(C(=O)c2ccc(F)cc2I)CC[C@H]1CCBr 2172474607 NWXDFDHDQFSUKX-WDEREUQCSA-N 454.121 4.314 50 10 JIGE COC(=O)c1cc(Br)cc(Br)c1NC(=O)[C@H]1C[C@@H](Br)C1 2196880298 JEHXXSZCAHUZEI-KNVOCYPGSA-N 469.955 4.110 50 10 JIGE CC[C@@H]1[C@H](Br)CCN1c1ncc(I)cc1Br 2245105750 CFWZYLYUPPBYIF-PSASIEDQSA-N 459.951 4.201 50 10 JIGE O=C(N[C@@H]1C[C@H]2C[C@H]1C[C@H]2Br)c1ccc(Cl)c(I)c1 2268351227 KUIZOUVJXDKHLR-BSTOTGJRSA-N 454.533 4.236 50 10 JIGE BrC[C@]12CCO[C@H]1CN(Cc1c(Br)cccc1Br)C2 2278926056 VPYHCEWVGYNYAU-KBPBESRZSA-N 454.000 4.197 50 10 JIGE COc1cc(Br)cc(Br)c1OCC(=O)NN=CC=Cc1ccc(C)o1 2296734948 HAFKLMAEAULBJH-UHFFFAOYSA-N 472.133 4.316 50 10 JIGE C=CCNC(=O)C(C#N)=C1S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccc(OCC)cc1 2314593143 ICSLULFMQOADTM-OAQYLSRUSA-N 467.978 4.467 50 10 JIGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)c2cc3cc(Br)ccc3o2)c(OC)c1 2314792502 ITXLPOURASRADV-UHFFFAOYSA-N 499.317 4.093 50 10 JIGE CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccc(OCC(=O)Nc2ccccc2)cc1 2328824692 VWROPKQMZCAJAY-QFIPXVFZSA-N 482.581 4.094 50 10 JIGE O=C(c1cc(Br)ccc1I)N1[C@H]2CC[C@@H]1[C@H](CBr)C2 2329071292 LSLYIIVJAXEQQQ-GMOODISLSA-N 498.984 4.442 50 10 JIGE COc1cccc(CN2c3ccccc3C3=C([C@H](c4ccccc4)C(C#N)=C(N)O3)S2(=O)=O)c1 20558727 VNHFGWRXRRZYSN-HSZRJFAPSA-N 471.538 4.222 50 10 JIGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)cc1OC 38658543 LFYGSKMGDQSNEA-BZQUYTCOSA-N 490.487 4.434 50 10 JIGE CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@@H]3COc4ccccc4O3)ccc21 38687431 DCFQEBGSWAOPGP-DQEYMECFSA-N 470.481 4.049 50 10 JIGE Cc1c(C(=O)NNc2ccccc2)oc2c1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 40823257 QBMVDLJEQLKAPL-XKJRVUDJSA-N 494.367 4.334 50 10 JIGE COc1ccc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1[N+](=O)[O-] 40950805 JPSYGLKEIYRXGA-SSDVNMTOSA-N 464.316 4.193 50 10 JIGE O=C(Cc1cc(Nc2ncnc3cc(OCCCCl)ccc23)n[nH]1)Nc1cccc(F)c1 60324769 VINVAIFNOYRNLI-UHFFFAOYSA-N 454.893 4.425 50 10 JIGE CC1(C)OB(c2ccc(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)nc2)OC1(C)C 203711530 SJURRLBQFXJWQG-UHFFFAOYSA-N 473.498 4.457 50 10 JIGE CCO[C@@H]1[C@@H](Br)C[C@@H]1Oc1c(Br)cc([N+](=O)[O-])cc1Br 229351547 YLFJPFLXEALPOI-JBLDHEPKSA-N 473.943 4.440 50 10 JIGE O=C(NN=Cc1cc(Br)ccc1OCc1ccccc1F)c1cc(O)cc(O)c1 254760350 XGJFQEVZTFCXOV-UHFFFAOYSA-N 459.271 4.342 50 10 JIGE O=C(C1CC1)[C@H](Br)Cc1ccc(I)c(Br)c1 300889888 DKCNVUJMBRIRQG-SNVBAGLBSA-N 457.931 4.339 50 10 JIGE Cn1ncc([C@@H](Br)c2ccc(Br)cc2)c1I 379211591 NNIQQROAZCCSOY-JTQLQIEISA-N 455.919 4.272 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)NCCC2(CBr)CC2)cc1Br 395873731 LIAYOBWKCGEUBA-UHFFFAOYSA-N 490.055 4.364 50 10 JIGE ClCc1c(Br)cc(I)cc1I 575686416 NSAUBLWTFAYPQB-UHFFFAOYSA-N 457.274 4.397 50 10 JIGE COc1ccc(-c2nn(CCC#N)cc2/C=C(\C#N)C(=O)N[C@H](C)c2nc(C)cs2)cc1OC 727678225 LZYHMAUGMCVJAK-VHWUNXFSSA-N 476.562 4.030 50 10 JIGE Cc1ccc(NC(=O)COC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)cc1C 761409783 GXENKIFDNTXEQD-KGENOOAVSA-N 453.502 4.170 50 10 JIGE O=C(CN1CCOCC1)NN=Cc1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1 1084289676 JSLVMRHSAFQMLT-UHFFFAOYSA-N 456.757 4.008 50 10 JIGE COc1ccc(-n2c(C)cc(C=NNC(=O)C(=O)Nc3ccc(Cl)c(Cl)c3)c2C)cc1 1084531749 XYUJMGIEBCXQCL-UHFFFAOYSA-N 459.333 4.498 50 10 JIGE C=CCc1ccc(OCC(=O)NNC(=O)c2cc(-c3ccco3)nc3ccccc23)c(OC)c1 1624299399 UTOHXPDLGSETIR-UHFFFAOYSA-N 457.486 4.072 50 10 JIGE C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)C[C@@H]1C[C@@H]1Br 1877420373 WRMYSFIZLOPIML-WIEQDCTASA-N 457.368 4.155 50 10 JIGE O=C(N[C@@H]1C[C@H](CBr)[C@H]2C[C@H]21)c1cc(Br)c(Br)s1 2048003880 BOHHFUZBMIEUGW-JXOAFFINSA-N 458.013 4.422 50 10 JIGE COc1cc(Br)c(C)cc1[C@@H](Cl)c1cnn(C)c1I 2089733493 VPDNVRYDKIMAHP-GFCCVEGCSA-N 455.521 4.432 50 10 JIGE O=S(=O)(c1cc(CBr)sc1Br)N1CC[C@H]2CC[C@@H](C1)S2 2179788051 XGHOGNYAZWGZNB-BDAKNGLRSA-N 461.266 4.064 50 10 JIGE Cn1nc(Br)c(COc2c(Br)cc(CCl)cc2Br)n1 2226984829 KUDYQJPDVLHKFT-UHFFFAOYSA-N 474.378 4.420 50 10 JIGE C[C@@H]1C[C@H](Br)CN(C(=O)Cc2cc(Br)cc(Br)c2)C1 2277916481 OAYOOQGJLILAEQ-RNCFNFMXSA-N 454.000 4.386 50 10 JIGE O=C(c1c(F)cccc1I)N1[C@H]2CC[C@@H]1C[C@H](CBr)C2 2282787625 SHCMZMFOENNSBT-JGPRNRPPSA-N 452.105 4.208 50 10 JIGE CCc1nn2c(=O)cc(COc3ccc(C=C(C#N)c4nc5ccccc5[nH]4)cc3)nc2s1 2297350742 KTJLZUNGOPNIHI-UHFFFAOYSA-N 454.515 4.233 50 10 JIGE O=C(COc1ccc(C(=O)NC2CCCCC2)cc1)NN=Cc1c[nH]c2cc(Cl)ccc12 2321698191 GLKNXULDYPCFBL-UHFFFAOYSA-N 452.942 4.413 50 10 JIGE N#CC(=CNCCc1ccccc1F)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324609850 WDNDXASCQYSJLA-UHFFFAOYSA-N 468.576 4.299 50 10 JIGE CC1(C)CO[C@@H](CBr)CN1Cc1ccc(Cl)c(I)c1 2337227816 PMEBZBUIDIMUJX-NSHDSACASA-N 458.565 4.319 50 10 JIGE CC(C)(C)OC(=O)NC[C@@H]1CC[S@](=O)(=NC[C@@]2(CBr)CC2(F)F)C1(C)C 2351886826 FDPBSKHBZIGZJE-MMQIEFSDSA-N 459.397 4.198 50 10 JIGE O=S(=O)(N[C@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]12)c1ccc(CBr)cc1 2357092442 WVYIGFUSXDGBNJ-QIJZPMMNSA-N 450.398 4.244 50 10 JIGE Cc1cc(OCC(=O)NC(=S)NNC(=O)c2cccc(Cl)c2)c(C(C)C)cc1Br 13976505 GBTJUQUHQOQCDO-UHFFFAOYSA-N 498.830 4.249 50 10 JIGE Cc1cccc(C)c1O[C@@H](C)C(=O)NNC(=O)COc1ccc2ccccc2c1Br 14639223 RXHYFWAWDUBVTI-INIZCTEOSA-N 471.351 4.213 50 10 JIGE N#Cc1ccc(-c2ccc(OCC(=O)NNC(=O)/C=C\c3cccc(C(F)(F)F)c3)cc2)cc1 34713966 PZNGPOKBLONOFL-MLPAPPSSSA-N 465.431 4.484 50 10 JIGE Nc1c(NNC(=O)COc2ccc(Cl)cc2Cl)ncnc1NC12CC3CC(CC(C3)C1)C2 40755783 ILGAVLDCGWLTDM-UHFFFAOYSA-N 477.396 4.268 50 10 JIGE C[C@@H](OC(=O)/C(C#N)=C\c1ccc(N(C)C)cc1)C(=O)NC(c1ccccc1)c1ccccc1 96504759 KGNZIBKXQOKZPI-RMQQKZCOSA-N 453.542 4.497 50 10 JIGE COc1cc(/C=C2/C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1 101337246 HMGZOUFWISSHKU-UKKLRFBMSA-N 458.514 4.045 50 10 JIGE CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C\c2ccc(OCC)c(OC)c2)c(OC)c1 206233766 PGGYFMVIEOXHAM-UXZHGZJPSA-N 451.475 4.191 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N(CCBr)CC(F)(F)F 231573852 LIEDVAWJVJEWQT-UHFFFAOYSA-N 470.454 4.344 50 10 JIGE COc1cc(C=NNC(=O)COc2cc(C)cc(C)c2)ccc1Cn1nc(C)c(Br)c1C 252625658 QOMLULNCWLREAM-UHFFFAOYSA-N 499.409 4.465 50 10 JIGE CCOc1ccccc1C=NNC(=O)/C(=C/c1ccc(N(C)C)cc1)NC(=O)c1ccccc1 254846797 XEVCEHKSTHINMI-SSTJCOHKSA-N 456.546 4.073 50 10 JIGE Brc1ccc([C@H]2CN(Cc3ccccc3)C[C@H]2CI)cn1 382732787 VJGSHQFUDGYULI-HZPDHXFCSA-N 457.153 4.495 50 10 JIGE CNC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)cc1 818031094 BUXCNWZQCQVZON-AQTBWJFISA-N 458.909 4.022 50 10 JIGE COc1ccc(C=NNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1COc1ccc(F)cc1 1084013317 DXZXVJKIMHISQH-UHFFFAOYSA-N 468.481 4.203 50 10 JIGE COc1cc(OC)cc([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)c1 1614811774 WZAOYTXACYYXMM-YLJYHZDGSA-N 481.330 4.491 50 10 JIGE CCOc1ccc(Br)cc1C=NNC(=O)COc1ccc(C)cc1Br 1772753801 JNGFZDQMXHRUGU-UHFFFAOYSA-N 470.161 4.448 50 10 JIGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@H](c2ccc(O)c(O)c2)C(C#N)=C(N)O3)cc1 1865680695 SJJJBRZVZXNGPV-HSZRJFAPSA-N 466.497 4.486 50 10 JIGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@@H](c2ccccn2)C(C#N)=C(N)O3)cc1 1865699680 ABEHZEAIQFPYLR-JOCHJYFZSA-N 451.486 4.170 50 10 JIGE C[C@@H](Br)[C@@H](NS(=O)(=O)c1cc(Cl)c(Br)s1)C(F)(F)F 1882673077 FECPFXRBRYLILO-AWFVSMACSA-N 465.538 4.157 50 10 JIGE COc1cc(C)c([C@@H](Cl)c2cnn(C)c2I)cc1Br 1901630304 MARLHKIRFKPTNK-GFCCVEGCSA-N 455.521 4.432 50 10 JIGE O=C(c1c(Br)cccc1Br)N1C[C@H]2CC[C@]2(CBr)C1 1903929704 AVYGECIYFDBCEZ-OTYXRUKQSA-N 451.984 4.459 50 10 JIGE O=C(N[C@H]1C[C@@H]([C@@H](F)CBr)C1)c1ccc(I)c(Cl)c1 1906434369 RGWOGQPYDWOZPX-NGZCFLSTSA-N 460.512 4.186 50 10 JIGE O=C(N[C@@H](CCBr)C1CC1)c1cc(Br)ccc1I 2029972080 NJTHZCASQLFTCZ-LBPRGKRZSA-N 486.973 4.347 50 10 JIGE O=C(CBr)c1c(I)cc(OC(F)F)cc1C(F)(F)F 2060378044 IAXWZAZBNSYTIM-UHFFFAOYSA-N 458.946 4.489 50 10 JIGE O=C(CCl)c1c(I)cc(C(F)F)cc1I 2060389553 UHIIJPZTFUYUPV-UHFFFAOYSA-N 456.395 4.255 50 10 JIGE CC1(C)CC[C@@H](CO[C@@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)OC1 2076724058 CQDWAQRYQCZUGK-HNAYVOBHSA-N 467.388 4.413 50 10 JIGE Cc1c(Br)ccc([C@H](Br)C2(C)CS(=O)(=O)C2)c1Br 2083334572 SOUSUEDIAYXIFV-NSHDSACASA-N 461.013 4.391 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CC(F)(F)C[C@H]1CCl 2102794120 GABQKRFKYGJWKG-QMMMGPOBSA-N 464.475 4.142 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1[C@H](CBr)[C@H]2CC[C@@H]1C2 2122172529 HNZSUFLROYAJKY-IYYTYJHQSA-N 454.533 4.333 50 10 JIGE CC1(C)C[C@@H](CBr)CN1S(=O)(=O)c1cc(Cl)c(Br)s1 2127832219 DYJXJJJTZWDQHU-ZETCQYMHSA-N 451.633 4.348 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H]2CC(Br)C[C@H]2C1 2128633372 VBAJTEVYMZHVHK-UWVGGRQHSA-N 498.984 4.299 50 10 JIGE CN(Cc1cc(Cl)ns1)S(=O)(=O)c1cc(CBr)sc1Br 2179775129 JXZGNTQTYCXKHP-UHFFFAOYSA-N 480.656 4.336 50 10 JIGE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1Br)C(=O)NC[C@H]1C[C@H](Br)C1 2229134439 AJJBXFZXOOVAQD-NOLJZWGESA-N 490.236 4.175 50 10 JIGE CCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)OC)cc2OC)cc1OCC 2293190757 XYJNBRNCOVGPKN-UHFFFAOYSA-N 451.475 4.191 50 10 JIGE O=C(NN=Cc1c(Br)cc(Br)c(O)c1Br)c1ccc(O)cc1 2297710228 IMBRCTAZSSNMIM-UHFFFAOYSA-N 492.949 4.149 50 10 JIGE C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)NN=Cc4ccccc4C(F)(F)F)c(=O)c23)C1 2325903157 AVIWDCXAHYSZEE-QWHCGFSZSA-N 462.497 4.313 50 10 JIGE CC(C)(C)OC(=O)NC[C@](C)(CI)OCc1cc(C(C)(F)F)ccn1 2327974306 HZEXVLPGPRGZDX-INIZCTEOSA-N 470.298 4.428 50 10 JIGE Cc1cc(C(=O)NCC(F)(F)C(F)(F)CI)sc1Br 2336538720 KRSGVOYMHLJPJP-UHFFFAOYSA-N 474.055 4.254 50 10 JIGE CCOc1ccc(CO[C@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)cn1 2337969315 DGKUQRIUYKUHSN-IBGZPJMESA-N 476.355 4.202 50 10 JIGE C[C@@H]1[C@@H](Br)CCN(S(=O)(=O)c2cc(Br)ccc2Br)[C@H]1C 2370654657 BOJMBVHCWCPCOF-QXEWZRGKSA-N 490.055 4.394 50 10 JIGE Cc1ccc(CNCC(F)(F)C(F)(F)CI)c(O)c1Br 2380807530 TZPLCSGWNZBBOD-UHFFFAOYSA-N 470.042 4.258 50 10 JIGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(OC)cc4)ccc32)cc1 38677114 XNLDYWMCZYSESQ-AREMUKBSSA-N 456.498 4.460 50 10 JIGE O=C(NNc1ncnc(Nc2ccc3c(c2)OCO3)c1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 40584348 ZEWUUPGIBXTFSA-UHFFFAOYSA-N 484.472 4.132 50 10 JIGE CC(C)(C)c1ccc(COc2ccc(/C=N/NC(=O)CSc3nnc(N)s3)cc2)cc1 40947247 KMKMZUQZRIBZNC-WYMPLXKRSA-N 455.609 4.239 50 10 JIGE COc1ccc(/C=N/NC(=O)c2cccc(NC(=O)c3cccc(Br)c3)c2)cc1OC 97729847 RGGKXJZSPARECD-AFUMVMLFSA-N 482.334 4.483 50 10 JIGE CCCOc1ccc(/C=C2\C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1 214373115 DHGXIVHZOKRUKB-JCMHNJIXSA-N 460.530 4.328 50 10 JIGE CC(=O)Oc1ccc(C(C)=NNC(=O)CSc2nnc(SCc3ccccc3)s2)cc1 263625559 HJLVBPRRLAADHE-UHFFFAOYSA-N 472.617 4.388 50 10 JIGE C[C@H]1CCN(S(=O)(=O)c2cc(Br)ccc2Br)[C@H]1CBr 299986536 WUWWOBMCNAMBQQ-KWQFWETISA-N 476.028 4.006 50 10 JIGE O=C(NC[C@H]1CCC[C@@H](CBr)C1)c1ccc(F)cc1I 380425486 YMEZCOOQTYXZQX-MNOVXSKESA-N 454.121 4.361 50 10 JIGE CC[C@H](NS(=O)(=O)c1cc(Br)c(C)cc1Br)[C@@H](C)Br 386707728 OQYICEJCLOWVII-KCJUWKMLSA-N 478.044 4.360 50 10 JIGE CC[C@H](NC(=O)c1cc(Br)ccc1I)[C@H](C)Br 386746676 ZTXFKEFLUYMYBN-CPCISQLKSA-N 474.962 4.346 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N(C)[C@H]2CCC[C@@H]2Br)cc1Br 709125985 KFMDKICQCFXLEN-CABZTGNLSA-N 490.055 4.457 50 10 JIGE ClCCc1nc2cc(I)ccc2n1Cc1cc(Br)no1 718884500 UCVSOBKDPPOLEP-UHFFFAOYSA-N 466.504 4.221 50 10 JIGE C[C@H]1C[C@H](Br)CCN1C(=O)c1ccc(I)c(Br)c1 721606024 VIEOARPHMBPAAQ-WCBMZHEXSA-N 486.973 4.442 50 10 JIGE N#CCCn1cc(/C=C(/C#N)C(=O)OC[C@@H](C#N)Cc2ccc(F)cc2)c(-c2ccccc2)n1 920876196 FSLQDZQHCJBITR-IDCRMVTHSA-N 453.477 4.436 50 10 JIGE COc1ccccc1C(=O)NN=C1C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 1083921035 BWOPBQWVGWYOFU-UHFFFAOYSA-N 478.346 4.181 50 10 JIGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(-c3cccc(F)c3)c(F)c2)cc1 1669622524 XUYQLKGQCGJTKB-OAHLLOKOSA-N 453.445 4.455 50 10 JIGE CC(C)c1ccc(/C=C/C(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 1860772212 VFMFWEKFMRQENC-SCGCXBKJSA-N 478.618 4.128 50 10 JIGE CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC)cc1OC 1865696344 DTLFJPZEBFEUIC-CYBMUJFWSA-N 487.276 4.310 50 10 JIGE O=C(N[C@@H](CBr)C[C@H]1CCOC1)c1csc(Br)c1Br 1883273299 DOGQOTDGAISSGJ-HTQZYQBOSA-N 476.028 4.193 50 10 JIGE C[C@H](Br)[C@H]1CCN1Cc1ccc(I)c(Br)c1 1904346996 YJJCNEFNFJCMNK-QPUJVOFHSA-N 458.963 4.411 50 10 JIGE O=C1c2ccccc2C(=O)N1CCc1nccn1-c1nc2ccccc2cc1CBr 1913031534 ZXFRKKTXGKJLOT-UHFFFAOYSA-N 461.319 4.154 50 10 JIGE CCOC(=O)Cc1ccc(I)c(CBr)c1OC(F)(F)F 2055268250 RDYUQHSZRJRZIF-UHFFFAOYSA-N 467.019 4.190 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1C[C@@H](Br)CC12CCC2 2099392879 SUSGWXKIXGYQQD-JTQLQIEISA-N 454.533 4.477 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1[C@H]2CC[C@H]1[C@@H](CBr)C2 2100988596 VYJAUFPXNJKTOO-NRUUGDAUSA-N 498.984 4.442 50 10 JIGE Brc1cccc(Br)c1CN1CC2(C1)OCCC[C@@H]2Br 2103422821 UVLGUBPONMAXBZ-ZDUSSCGKSA-N 454.000 4.340 50 10 JIGE Cn1cc([C@H](Cl)c2cc(I)cc3c2OCC3)c(Br)n1 2116553914 GNYXSQIYQNUFKJ-LLVKDONJSA-N 453.505 4.050 50 10 JIGE O=S(=O)(NC[C@@H]1C[C@@H]1CBr)c1c(Cl)cc(Br)cc1Cl 2117655082 AAWGMYIONUFLJL-RQJHMYQMSA-N 451.995 4.065 50 10 JIGE O=C(c1ccc(F)cc1I)N1[C@H](CBr)C[C@@H]2CCC[C@H]21 2164656364 MHSRLAWCKFDNAX-NURSFMCSSA-N 452.105 4.208 50 10 JIGE Cc1csc(CBr)c1S(=O)(=O)N1CC[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 2179815162 KBMGNKIPVCHUIK-ZWKOTPCHSA-N 469.470 4.094 50 10 JIGE CN([C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)S(=O)(=O)[C@@H]1CC[C@@H](CBr)C1 2179828755 TZUYKYGYAUWBRA-CRSSMBPESA-N 455.462 4.007 50 10 JIGE CC(C)[C@H]1CN(S(=O)(=O)C2CCC(CBr)CC2)CCN1Cc1ccccc1 2179831585 YQVLRYZBCBHCOO-DQVLVPHSSA-N 457.478 4.112 50 10 JIGE CCC[C@@H]1CN(C(=O)c2cccc(F)c2I)C[C@H]1CBr 2205684021 PVUJQKRXMNZSQY-GHMZBOCLSA-N 454.121 4.314 50 10 JIGE COc1ccc(Br)c(CBr)c1OCc1nn(C)cc1Br 2236036543 CVJSDYUJBHHPAR-UHFFFAOYSA-N 468.971 4.428 50 10 JIGE C[C@@]12CC[C@@](CBr)(C1)N(C(=O)c1c(F)cccc1I)C2 2282803402 WKXNPRZQFDVMQC-CABCVRRESA-N 452.105 4.210 50 10 JIGE CN(C)c1ccc(C=C(NC(=O)c2cccc(F)c2)C(=O)NN=Cc2ccc(Cl)cc2)cc1 2294217773 ONDNICDGITZYQF-UHFFFAOYSA-N 464.928 4.466 50 10 JIGE CO[C@@H]1[C@@H](Br)C[C@@H]1OCc1ccc(I)c(Br)c1 2306297504 QETPUVGJALWMEC-ZMLRMANQSA-N 475.946 4.121 50 10 JIGE COc1cc(C=C2C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 2314618703 SALGVKCLQMLGIZ-HXUWFJFHSA-N 476.504 4.185 50 10 JIGE COc1ccc(Cl)cc1NC(=O)C(C#N)=CNc1ccc(I)cc1 2318454623 CIWYXTBMBQTMIG-UHFFFAOYSA-N 453.667 4.411 50 10 JIGE CCCOc1ccc(C=NNC(=O)c2cc(-c3ccccc3)nc(O)n2)cc1Br 2323693766 UHRFYTJMRBQRNK-UHFFFAOYSA-N 455.312 4.164 50 10 JIGE CC(C)(CI)CN1C[C@H](NC(=O)OC(C)(C)C)[C@H](c2ccccc2)C1 2326668569 VPGFJKRGCITPIY-IRXDYDNUSA-N 458.384 4.440 50 10 JIGE Cn1nc(Br)c(Br)c1[C@H](Br)c1ccc2c(c1)COC2 2338722534 NQQQJNLFZKPGHT-SNVBAGLBSA-N 450.956 4.460 50 10 JIGE COC[C@@]1(CBr)C=CCN1C(=O)c1cc(Br)sc1Br 2351729166 SVJFWYQZYLZTGU-LBPRGKRZSA-N 474.012 4.065 50 10 JIGE CC(C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccccc2OCCc2ccccc2)cc1 10510614 KDIWMTHRMLWBRP-UHFFFAOYSA-N 491.613 4.146 50 10 JIGE O=C(Cc1cccc2ccccc12)NC(=S)NNC(=O)c1ccccc1OCc1ccccc1 14030872 DTIMYIMQKFMGKE-UHFFFAOYSA-N 469.566 4.297 50 10 JIGE CCCCC(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(OCCC)c(Br)c2)cc1 14647384 AAEGTUJWPAZLOF-UHFFFAOYSA-N 476.371 4.441 50 10 JIGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 38653697 KGGOCAHFGHKDDR-HSZRJFAPSA-N 457.442 4.431 50 10 JIGE COc1cc(/C=C(\C#N)c2ccccc2)ccc1OC(=O)CCN1C(=O)c2ccccc2C1=O 40851122 HYGRIBSFBCBYRK-HMMYKYKNSA-N 452.466 4.351 50 10 JIGE CCCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C)cc2C)cc1 100154353 CWJXUULFBOMQSG-UHFFFAOYSA-N 471.623 4.367 50 10 JIGE CCCCCCCC(=O)NNC(=O)COc1c(C)cc(Br)cc1Br 100169981 WJFPKGQJNUEEBN-UHFFFAOYSA-N 464.198 4.407 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)NC[C@H](Br)C2CCC2)cc1Br 315491864 FXCWTHXAPAQGMW-LBPRGKRZSA-N 490.055 4.362 50 10 JIGE Cn1ncc([C@@H](Br)c2cc3nc(O)[nH]c3cc2Br)c1Br 381831657 WXZAPIRFYPTEJY-JTQLQIEISA-N 464.943 4.011 50 10 JIGE C[C@@H](Br)[C@H]1CCN(S(=O)(=O)c2cc(Br)ccc2Br)C1 719788527 YGLSVFILRMHSQW-BDAKNGLRSA-N 476.028 4.006 50 10 JIGE COc1ccc(C(=O)NNC(=O)[C@H](Oc2ccc(F)c(Cl)c2)c2ccccc2)cc1OC 730468943 MPGFIODKPRVWLG-OAQYLSRUSA-N 458.873 4.078 50 10 JIGE Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(N3C(=O)CN(C)C3=O)c2)c(C)n1-c1ccc(F)cc1 916086824 DWZYBSYPIRGBRV-XDHOZWIPSA-N 471.492 4.177 50 10 JIGE Cc1ccc(S(=O)(=O)N2CCN(c3c(Cl)cccc3NC(=O)CCCCl)CC2)cc1 953055509 VINMLOYZYYCXTD-UHFFFAOYSA-N 470.422 4.117 50 10 JIGE CCC(=NNC(=O)CCCSc1nnc(-c2ccc(Br)cc2)n1N)c1ccccc1 1084572938 YFVOUWIGVDRFBU-UHFFFAOYSA-N 487.427 4.224 50 10 JIGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccccc2N2CCc3ccccc32)cc1 1310081606 DMAIATLXAVDLOH-SFHVURJKSA-N 458.518 4.204 50 10 JIGE COc1ccc(CNC(=O)[C@@H](Br)Cc2ccccc2Br)cc1OC 1858181343 MZHDESSPBVKTOV-HNNXBMFYSA-N 457.162 4.089 50 10 JIGE COc1ccc(S(=O)(=O)NNC(=O)c2ccc(-c3ccc4ccccc4c3)s2)cc1OC 1860405537 PGIMVLHWERVPTL-UHFFFAOYSA-N 468.556 4.209 50 10 JIGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2c(F)cccc2Cl)ccc1O 1865681816 XRBKGUSTSXNJJW-NRFANRHFSA-N 454.889 4.355 50 10 JIGE CC(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(C(=O)CCN3CCCC3)CC2)n1 1868231837 TYKGYAVETWMBPW-UHFFFAOYSA-N 479.654 4.051 50 10 JIGE CC[C@@H](C)N1C(=O)c2ccc(C(=O)Nc3sc(/C(C)=C/C#N)c(C)c3C(=O)OC)cc2C1=O 1873427469 SYVOUSQIHCZKGV-CNELAYHGSA-N 465.531 4.417 50 10 JIGE Cn1nc(Cn2c(Cl)nc(Cl)c2CBr)c(I)c1Cl 2055101416 OFCBYUMFFCFMBT-UHFFFAOYSA-N 484.350 4.125 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@H]2C[C@H]1CC[C@H]2Br 2088647820 XOHGZDWHQDPKCC-HLUHBDAQSA-N 498.984 4.442 50 10 JIGE COc1cc(C[C@H](Cl)c2ccc(Br)cc2I)ncn1 2142285704 SXDFPEMZORMLJJ-NSHDSACASA-N 453.505 4.375 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1[C@H]2CC[C@H]1[C@H](F)[C@@H](Cl)C2 2190680630 XIXNFURUFDZQJX-SKZLGDCLSA-N 472.523 4.376 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)NC[C@H]1CCC[C@@H]1Br 2277930796 FNJKDJIVQOPEGC-MFKMUULPSA-N 454.000 4.434 50 10 JIGE N#CC(=Cc1ccc(-c2ccc([S@](=N)(=O)O)cc2)o1)C(=O)Nc1ccc([S@](=N)(=O)O)cc1 2297551856 VQXXLCRMLNJLNR-UHFFFAOYSA-N 472.504 4.250 50 10 JIGE O=C(N[C@H]1C[C@@H](CBr)[C@@H]2C[C@H]12)c1cccc(Br)c1Br 2329871360 MAEWMMZAFJYPDU-GCWIYAPXSA-N 451.984 4.361 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCNC1(C(=O)O)C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2350355155 LWGSZSNWEGBRMD-VXMMSVGHSA-N 495.711 4.133 50 10 JIGE Cl[C@H]1COC2(CCN(Cc3ccc(I)c(Br)c3)CC2)C1 2377312262 DKBMDEZELWMZHA-GFCCVEGCSA-N 470.576 4.416 50 10 JIGE COc1ccc(C(=O)Oc2cc(/C=C(/C#N)C(=O)Nc3cccc(C(=O)O)c3)ccc2OC)cc1 33338980 GIADFGAISOZQMP-UNOMPAQXSA-N 472.453 4.167 50 10 JIGE N#C/C(=C/c1c[nH]nc1-c1cccc([N+](=O)[O-])c1)c1nc(O)c2cc(Br)ccc2n1 35518550 DKSUEXOKIDGIRT-SDQBBNPISA-N 463.251 4.460 50 10 JIGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4C)ccc32)cc1OC 38658416 SAXPLLXYZDGMKE-SANMLTNESA-N 472.497 4.215 50 10 JIGE COc1ccc(/C=N/NC(=O)COc2cc(C)c(Cl)c(C)c2Br)c(OC)c1 40950734 GOHNFIPCJLFWJB-LSFURLLWSA-N 455.736 4.266 50 10 JIGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)cc1 58893390 BOTNNARUDOYVNL-YNAQZEJMSA-N 477.561 4.243 50 10 JIGE COc1ccccc1N(CC(=O)N/N=C(/C)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 59382721 XAXZONOUWFBANH-UQQQWYQISA-N 471.966 4.084 50 10 JIGE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(O)c(OC)c2)cc1 96563680 VBVVMJTZOJZOPK-SDWTVDDCSA-N 486.572 4.168 50 10 JIGE CCOc1ccc([N+](=O)[O-])cc1C=NNC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 254524810 POTYRRNMZAGGAR-UHFFFAOYSA-N 450.426 4.149 50 10 JIGE COc1cc(-c2cc(C(=O)NN=Cc3ccccc3O)[nH]n2)ccc1OCc1ccc(C)cc1 254741487 WJZKYUJUCJGYJH-UHFFFAOYSA-N 456.502 4.442 50 10 JIGE CCOc1cc(C=NNC(=O)COc2ccccc2C)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 254840546 FEDIXGYVEBRHIK-UHFFFAOYSA-N 477.473 4.050 50 10 JIGE CC(C)(C)OC(=O)N1CC(NC(=O)OCC2c3ccccc3-c3ccccc32)(C(=O)OCCl)C1 616578629 SWGXGJWRLRVKDJ-UHFFFAOYSA-N 486.952 4.254 50 10 JIGE CC(=O)N1CCN(C(=O)/C(C#N)=C\c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)[C@H](C)C1 1435474750 AIPLNEHFAATZGB-SMLKNPDNSA-N 459.377 4.387 50 10 JIGE C#CCCCC(=O)NNC(=O)CCc1c(-c2ccccc2)[nH]c2ccc(Br)cc12 1456180998 NGEQXTXYVUZIKF-UHFFFAOYSA-N 452.352 4.481 50 10 JIGE COc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(O)cc2)CCC3)c(OC)c1 1772745001 OGHOYFPRGNRMGQ-UHFFFAOYSA-N 463.490 4.034 50 10 JIGE COc1cccc(OCC(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)c1 1772756318 UAYIJHYSNMHOHD-UHFFFAOYSA-N 454.910 4.465 50 10 JIGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865715136 WZPXHVANQSOXMZ-IBGZPJMESA-N 451.870 4.310 50 10 JIGE CC[C@H](NC(=O)Cc1nc(-c2cccc(F)c2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866658697 ZSIHYAQKKWMJLY-IBGZPJMESA-N 452.511 4.438 50 10 JIGE CC(C)[C@@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)OCCO2 1915301755 UUUVEIAERYALKM-GOSISDBHSA-N 454.386 4.068 50 10 JIGE C[C@@]1(CBr)CCCN(c2ncc(I)cc2Br)C1 2015762783 PJFGCYRTOPACJM-LBPRGKRZSA-N 473.978 4.450 50 10 JIGE C[C@H](Br)[C@H]1CCN(C(=O)c2ccc(Br)cc2I)C1 2086140079 XQPJSBAYLLRAPW-IUCAKERBSA-N 486.973 4.299 50 10 JIGE CN(Cc1ccccc1)[C@H]1CCN(S(=O)(=O)c2ccc(CCl)cc2Br)C1 2095823850 QZTZIKVMVWUUMK-KRWDZBQOSA-N 457.821 4.083 50 10 JIGE CN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(CBr)c(Cl)c1 2123210654 OVOZKFYORJKCOE-QGZVFWFLSA-N 457.821 4.130 50 10 JIGE CCOC(=O)[C@@H](Br)Cc1ccc(C(F)(F)F)cc1I 2139266677 MBIVHRORMHCEKM-VIFPVBQESA-N 451.020 4.179 50 10 JIGE CCN1CCC[C@H]([C@@H](Br)c2cc(Br)ccc2Br)S1(=O)=O 2145757745 GMFJVPIIDQGLNM-OLZOCXBDSA-N 490.055 4.462 50 10 JIGE O=C(Cc1ccccc1I)NC[C@@H]1CCCC[C@@H](Br)C1 2163754110 PKXAWCXFWVYXSD-TZMCWYRMSA-N 450.158 4.294 50 10 JIGE CC1(C)C[C@H](N(Cc2ccccc2)S(=O)(=O)c2ccc(F)c(CBr)c2)CO1 2179786828 GRLNPZBNTFRURJ-KRWDZBQOSA-N 456.377 4.479 50 10 JIGE CCN([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(F)ccc1CBr 2179787889 VCRHOJISLBUVQR-IBGZPJMESA-N 455.393 4.006 50 10 JIGE CN1CCC(N(Cc2ccccc2)S(=O)(=O)Cc2cccc(CBr)c2)CC1 2179789173 NBUXXRSJJOHHEK-UHFFFAOYSA-N 451.430 4.008 50 10 JIGE Cc1c(F)cc(CBr)cc1S(=O)(=O)N1CCC(OCc2ccccc2)CC1 2179858123 KFBHNLLSJSRJGF-UHFFFAOYSA-N 456.377 4.399 50 10 JIGE Cc1cc(S(=O)(=O)N(C)[C@H]2CC[C@H]2OCc2ccccc2)cc(CBr)c1F 2179859141 YYRQFOZIWATGEK-RBUKOAKNSA-N 456.377 4.397 50 10 JIGE CC(C)(C)OC(=O)N1CCN(CCCCCI)[C@@H](C(F)(F)F)C1 2211187533 CPMIDXZCNDTBMH-GFCCVEGCSA-N 450.283 4.075 50 10 JIGE O=S1(=O)CCC[C@H]([C@H](Br)c2sc(Cl)cc2I)C1 2300998696 UWBSVFZXZRXDCK-RCOVLWMOSA-N 469.591 4.267 50 10 JIGE C[C@@H]1CN(Cc2ccc(Cl)c(I)c2)C[C@H](CCBr)O1 2337214110 GXSGYIVQLLSHFW-PWSUYJOCSA-N 458.565 4.319 50 10 JIGE O=C(CC12CC3CC(CC(C3)C1)C2)NN/C=C1\C(=O)N(Cc2ccccc2)C(=O)c2ccccc21 38162795 FRDDMVKXTIDTOD-UQQQWYQISA-N 469.585 4.437 50 10 JIGE Cc1nc(Nc2ncnc(NNC(=O)c3ccc(Cl)cc3Cl)c2[N+](=O)[O-])sc1C 40650009 DPIFOAHZGPPNHU-UHFFFAOYSA-N 454.299 4.265 50 10 JIGE COc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)Nc3ccc(Cl)cn3)c(C)c21 40813193 DLNLCYQUAZTAFF-JVWAILMASA-N 452.898 4.368 50 10 JIGE COC(=O)c1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1cccc(OC)c1)CCC2 40822334 ISYFFOOOQWFICX-VFCFBJKWSA-N 475.501 4.106 50 10 JIGE N#C/C(=C\c1ccc(OC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1)C(=O)NCc1ccco1 40926219 FQLLMIQDVKPTEV-MHWRWJLKSA-N 451.822 4.284 50 10 JIGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)N/N=C(\C)c1cccnc1 59261084 DFQQTCQGNXHRLZ-MTDXEUNCSA-N 471.590 4.257 50 10 JIGE C/C(=N/NC(=O)COc1c(C)cc(Br)cc1Br)c1cccc(O)c1 66185359 ZVHYGXBKILLARM-JAIQZWGSSA-N 456.134 4.145 50 10 JIGE COc1ccc([C@@H]2c3sc(=S)[nH]c3S[C@H]3[C@H]2[C@H]2C[C@H]3[C@@H]3C(=O)OC(=O)[C@@H]23)cc1OC 256024392 GITDHNQDBYHNKA-AAMKZYMJSA-N 461.586 4.011 50 10 JIGE BrCc1cnnn1-c1c(Br)cc(Br)cc1Br 381021174 WJXFRONYDIAUPT-UHFFFAOYSA-N 474.776 4.450 50 10 JIGE CC[C@H](NC(=O)c1cc(I)ccc1Br)[C@H](C)Br 386644377 ANKICQUBCNYIDP-CPCISQLKSA-N 474.962 4.346 50 10 JIGE CCN(C[C@@](C)(CI)OC1CCC(OC)CC1)C(=O)OC(C)(C)C 686228425 WZJBKQDAGPJTJE-JTTJXQCZSA-N 455.377 4.411 50 10 JIGE C[C@H]1C[C@H](Br)CN1C(=O)c1ccc(I)c(Br)c1 721576350 FRIGOEMCFMBXCY-CBAPKCEASA-N 472.946 4.052 50 10 JIGE O=C(NNC(=O)N1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1)c1ccc2ccccc2c1 727474771 LDHNFWMVFTZMBM-QFIPXVFZSA-N 462.937 4.296 50 10 JIGE Cc1ccc(NC(=O)COC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)cc1C 761409785 GXENKIFDNTXEQD-STZFKDTASA-N 453.502 4.170 50 10 JIGE COc1cc(C=NNC(=O)CN2CCOCC2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 1084112271 HPNZQBOQZIFDOG-UHFFFAOYSA-N 486.783 4.017 50 10 JIGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2c(O)ccc3ccccc23)Cc2ccccc2)cc1 1084484559 LXGYUKHNOOPEEP-UHFFFAOYSA-N 487.581 4.195 50 10 JIGE Cc1c(C(=O)NNC(=O)c2ccccc2Cl)oc2c1C(=NNC(=O)c1ccc(Cl)cc1)CCC2 1772744101 SWYLFSPUWAAJGV-UHFFFAOYSA-N 499.354 4.440 50 10 JIGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@@H](c2ccccn2)C(C#N)=C(N)O3)cc1 1865700614 ZAWFSAFEKMYZNS-JOCHJYFZSA-N 453.477 4.359 50 10 JIGE COc1cccc(-c2cc(C(=O)N[C@@H](CCSC)C(=O)Nc3ccc(SC#N)cc3)no2)c1 1867146553 ITMZJKOAFJTMAR-IBGZPJMESA-N 482.587 4.414 50 10 JIGE COC(=O)c1c(NC(=O)c2ccc3c(c2)C(=O)N(CC(C)C)C3=O)sc(/C(C)=C/C#N)c1C 1873427013 BYCGGMOCQBSSQH-MDWZMJQESA-N 465.531 4.274 50 10 JIGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)C[C@@H]1C[C@@H]1Br 1877420372 WRMYSFIZLOPIML-GXZWQRSESA-N 457.368 4.155 50 10 JIGE O=S1(=O)CCC[C@@H]1[C@H](Br)c1sc(Cl)cc1I 1900962704 IJQQODIWMDSKLY-SVRRBLITSA-N 455.564 4.019 50 10 JIGE ClC[C@@H](I)[C@H](CCl)OCc1cccc(I)c1 1902252144 MJAPMXNQIKQYMN-MNOVXSKESA-N 484.930 4.458 50 10 JIGE C[C@H](Br)C1(NS(=O)(=O)c2c(Cl)cc(Br)cc2Cl)CC1 1913497992 POBPRXDFXMSMTF-LURJTMIESA-N 451.995 4.350 50 10 JIGE Cc1nsc(Br)c1C(=O)N(C)C[C@H](Br)COCc1ccccc1 1916333820 YKJNNCRSDJIFHV-ZDUSSCGKSA-N 462.207 4.266 50 10 JIGE C[C@@H]1CCN(c2ncc(I)cc2Br)C[C@@H]1Br 1988539943 RMDSHMNRXZZMPD-XCBNKYQSSA-N 459.951 4.058 50 10 JIGE CN1CCC[C@H]([C@H](Br)c2csc(Br)c2Br)S1(=O)=O 2032953865 RRLSOVABFWVQCS-HTQZYQBOSA-N 482.057 4.133 50 10 JIGE O=C(Cl)c1cc(C(F)(F)F)c(I)cc1I 2060047760 LGHPNDNXSHNJQD-UHFFFAOYSA-N 460.358 4.294 50 10 JIGE CN(Cc1c(Br)cnn1C)c1cccc(Br)c1CBr 2100251260 SXFVAAVFVTVOLA-UHFFFAOYSA-N 451.988 4.476 50 10 JIGE CN(Cc1ccccc1)[C@H]1CCCCN(S(=O)(=O)c2ccc(CBr)s2)C1 2123232082 LWTRUTATSFDWDE-KRWDZBQOSA-N 457.459 4.318 50 10 JIGE O=S(=O)(C1CCC(CBr)CC1)N1CC[C@H]2CC[C@@H](C1)N2Cc1ccccc1 2179828132 MPVLHLZPMKGGLE-FPGXKEGCSA-N 455.462 4.009 50 10 JIGE CCCn1cc(S(=O)(=O)N2CC[C@@H](COCc3ccccc3)C2)cc1CBr 2179859062 XTNOPXPNLOAFMS-GOSISDBHSA-N 455.418 4.020 50 10 JIGE CC1(C)CN(C(=O)c2cccc(F)c2I)C[C@@H]1CCBr 2238445670 ZENJRIPYNZVJGW-JTQLQIEISA-N 454.121 4.314 50 10 JIGE COc1ccc([C@@H](Br)c2c(Cl)c(C)nn2C)cc1I 2269533781 IAIVCDKVGNWXMB-LLVKDONJSA-N 455.521 4.479 50 10 JIGE CCCOc1ccccc1C=CC(=O)NNC(=O)c1ccc(-c2ccc(OC)c(OC)c2)nc1C 2321173291 SCIIRKGDNATZFH-UHFFFAOYSA-N 475.545 4.337 50 10 JIGE COCCO[C@@H]1[C@@H](Br)C[C@@H]1Oc1cc(Br)cc(Br)c1 2338759220 WGKCCZVGKPFUOW-RWMBFGLXSA-N 458.972 4.158 50 10 JIGE CCCOc1ccccc1C(=O)NNC(=S)NC(=O)c1cccc(OCCc2ccccc2)c1 10334461 XKWWJKBAPOURJU-UHFFFAOYSA-N 477.586 4.046 50 10 JIGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 14030145 KWVKAMJKGGPMFT-CYBMUJFWSA-N 484.405 4.275 50 10 JIGE CCCOc1cccc(/C=C(/C#N)C(=O)Nc2sc(C(=O)N(C)C)c(C)c2C(=O)OCC)c1 96438958 NPWPYIZKCAHOCI-ATVHPVEESA-N 469.563 4.270 50 10 JIGE COc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2cccc(OC)c2)C(=O)CCl)cc1 97914327 FMBOQTLNFNBEML-XMMPIXPASA-N 458.986 4.461 50 10 JIGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\Nc3ccc([N+](=O)[O-])cc3Cl)C2=O)cc1OC 101234892 ZVDXFHYDLVGCCP-QGOAFFKASA-N 496.907 4.013 50 10 JIGE O=S(=O)(NC[C@H]1CCC[C@H]1Br)c1cc(Br)ccc1Br 136560008 BNGVFZRIZDAVQB-PSASIEDQSA-N 476.028 4.054 50 10 JIGE N#Cc1c(NC(=O)C(=O)NN=Cc2ccc(OCc3ccccc3)cc2)sc2c1CCCC2 254484604 TUDJAWWZHNMGQT-UHFFFAOYSA-N 458.543 4.166 50 10 JIGE N#Cc1c(NC(=O)C(=O)NN=Cc2ccccc2OCc2ccccc2)sc2c1CCCC2 254508737 USTYMSIVCDQKDR-UHFFFAOYSA-N 458.543 4.166 50 10 JIGE Cn1c(SCC(=O)NN=Cc2ccc(OCc3ccccc3)cc2)nnc1-c1ccccc1 254737660 MYYGOJXEUWDYRO-UHFFFAOYSA-N 457.559 4.304 50 10 JIGE Cc1onc(-c2ccccc2)c1C(=O)NN=Cc1ccc(OC(=O)c2ccc3c(c2)OCO3)cc1 254789609 VCFMNSHCUAAMCY-UHFFFAOYSA-N 469.453 4.362 50 10 JIGE C[C@@H]1C[C@@H](Br)CN(C(=O)c2cc(Br)ccc2I)C1 401938226 GBHNWAIZKKUYNH-PSASIEDQSA-N 486.973 4.299 50 10 JIGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Cl)cc(Br)c2O)cc1 725421585 YCIBVWZAYKZYRR-KRWDZBQOSA-N 455.736 4.171 50 10 JIGE CC(=O)CCc1ccc(OCc2cccc(C(=O)NNC(=O)c3cccc4cccnc34)c2)cc1 727375253 KJARSYVPJIWOOR-UHFFFAOYSA-N 467.525 4.410 50 10 JIGE O=C(NN=Cc1ccc(O)c(I)c1)c1cc2cc(Br)ccc2o1 1083973950 USSKIALXJGKDQS-UHFFFAOYSA-N 485.075 4.269 50 10 JIGE C=CCOc1ccc(C=NNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1OCC 1084351163 IFVMYMHGZHVCLG-UHFFFAOYSA-N 455.514 4.269 50 10 JIGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(Oc3cccc(F)c3)cc2)cc1 1476014727 YFCXNDFXXQYNMN-MRXNPFEDSA-N 451.454 4.441 50 10 JIGE CCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1cc(OC)c(O)c(OC)c1)C(C#N)=C(N)O2 1865714077 CBGXLWPADREUHE-HXUWFJFHSA-N 466.925 4.088 50 10 JIGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(O)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865715071 VANAXUDCJRTIFI-LJQANCHMSA-N 469.860 4.118 50 10 JIGE COc1ccc(-c2csc(/C(C#N)=C(\O)CNC(=O)c3cc(OC)c(OC)c(OC)c3)n2)cc1C 1872744829 KDMGSRKSKDSIEY-ZPHPHTNESA-N 495.557 4.376 50 10 JIGE Brc1cc(C[C@H]2COCC[C@H]2Br)ccc1I 1904329704 MWJODPFRDGEGDH-VHSXEESVSA-N 459.947 4.396 50 10 JIGE F[C@@]1(CBr)CCCN(c2ncc(I)cc2Br)C1 2015764647 FIABUJPCIAJXMA-LLVKDONJSA-N 477.941 4.152 50 10 JIGE O=C(Cl)c1cc(OC(F)(F)F)cc(I)c1I 2060025105 MQZFOFFZRVDEPM-UHFFFAOYSA-N 476.357 4.173 50 10 JIGE O=C(N[C@@H](CBr)CC(F)F)c1ccc(Br)cc1I 2086138835 GVTUBIGEZGWKQR-SSDOTTSWSA-N 496.915 4.202 50 10 JIGE C[C@]1(CBr)CCCN1C(=O)c1ccc(Br)cc1I 2086138997 JILJATIDDHMJBB-CYBMUJFWSA-N 486.973 4.443 50 10 JIGE CCCN1CC[C@@H]([C@@H](Cl)c2cc(Br)c(Br)s2)S1(=O)=O 2089512413 XWDYASXOOCSZNK-UWVGGRQHSA-N 451.633 4.367 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CC[C@H]2[C@H](C1)[C@@H]2CCl 2093140190 KWXFLNGMCOPPAN-JLLWLGSASA-N 454.533 4.001 50 10 JIGE O=C(Cc1ccccc1I)N[C@H](CBr)c1cccs1 2119048619 VZJPQSQSRADBSX-GFCCVEGCSA-N 450.139 4.148 50 10 JIGE C[C@H](Cl)C[C@@H]1CCCCCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2145936019 DAXFEXFHEKFXJE-ROUUACIJSA-N 455.020 4.045 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N[C@@H]2CC[C@@H](CBr)C2)cc1Br 2146224113 LNSFHMVORVISLY-NXEZZACHSA-N 490.055 4.362 50 10 JIGE Cc1cccc(C(=O)N2CC[C@H](CCBr)[C@H](C)C2)c1I 2172473464 KWRBUSMHXXFDKU-OLZOCXBDSA-N 450.158 4.483 50 10 JIGE C[C@@H](Br)CN1CCCN(Cc2cc(Cl)ccc2I)CC1 2176830182 CKORJDPHNVHRIW-GFCCVEGCSA-N 471.608 4.236 50 10 JIGE CS[C@H]1CC[C@@H](N(C)S(=O)(=O)c2cc(CBr)sc2Br)C1 2179787919 VPTLXYHXVMLHAW-BDAKNGLRSA-N 463.282 4.310 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@@H]2CC[C@]2(CBr)C1 2198876361 ASZHGADYEHTRHP-ZANVPECISA-N 488.039 4.007 50 10 JIGE CCC[C@@H]1CN(C(=O)c2ccc(I)c(C)c2)C[C@H]1CBr 2207108919 ZZDUEVDBHDCTQA-ZIAGYGMSSA-N 450.158 4.483 50 10 JIGE C[C@](CBr)(NC(=O)c1ccc(Cl)c(I)c1)C(F)F 2256387359 HBLBJZUGBSXLLP-LLVKDONJSA-N 452.464 4.093 50 10 JIGE O=S1(=O)CCCC[C@H]1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2277961408 SYFAHGCCHSSPTD-STQMWFEESA-N 475.040 4.485 50 10 JIGE O=C(C=Cc1ccccc1Cl)NC(=S)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 2313621218 OQZFKUBCPIIJLR-UHFFFAOYSA-N 499.807 4.101 50 10 JIGE N#CC(=Cc1ccc(OC(=O)c2ccc(Br)cc2)cc1)C(=O)NCc1ccco1 2314753147 BFUWRRWODJYRTL-UHFFFAOYSA-N 451.276 4.485 50 10 JIGE CCOc1cc(C=NNC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)ccc1OC(C)C 2328827631 JOXSJOCOPGAVTE-NRFANRHFSA-N 469.582 4.459 50 10 JIGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)c2ccccc2Br)c(Br)c1 12403485 FPOFXIBHGHPODR-UHFFFAOYSA-N 484.188 4.349 50 10 JIGE Cc1cc(OCC(=O)NNC(=O)c2ccc(OC(C)C)c(Br)c2)cc(C)c1Cl 14658708 JKTSGZXPNYNPFM-UHFFFAOYSA-N 469.763 4.347 50 10 JIGE C[C@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc([N+](=O)[O-])c1 38653899 KLBSYLRMAMOJOC-PSLXWICFSA-N 475.432 4.325 50 10 JIGE C[C@@H](SCc1ccccc1)C(=O)N/N=C1/C(=O)N(Cc2cccc([N+](=O)[O-])c2)c2ccccc21 59152652 RLBOVXDOXPEIKH-AGOQZKINSA-N 474.542 4.284 50 10 JIGE Cc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)NNC(=O)c4cccc(Cl)c4)c(C)c32)cc1 101592562 WVLBSVSCLKJQIT-ZXVVBBHZSA-N 478.936 4.095 50 10 JIGE C/C(=C(\C#N)P(=N/N=N/c1ccccc1)(N1CCOCC1)N1CCOCC1)N1CCCC1 102922651 SNONBDNAVMNJKT-DEDXEDKYSA-N 457.519 4.232 50 10 JIGE CCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)OC)cc2OC)cc1OC 103756950 JBKPHTAABAPLKD-UWFRNZCSSA-N 451.475 4.191 50 10 JIGE CCOc1c(OC)cc(/C=N\NC(=O)c2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)cc1[N+](=O)[O-] 169891308 VQAPSBKPHMPGER-VLKICEKPSA-N 450.495 4.372 50 10 JIGE CCN(CCCBr)C(=O)c1cc(Br)ccc1I 233468298 SYLIOZGIMAZRSD-UHFFFAOYSA-N 474.962 4.301 50 10 JIGE O=C(NN=Cc1ccc2ccccc2c1)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254556669 XGNVHZJZQZQELI-AQOUVZSTSA-N 463.493 4.490 50 10 JIGE COC(=O)c1c(NC(=O)NN=Cc2cccc(I)c2)sc2c1CCCC2 256017474 OGANVFMIPBZWMA-UHFFFAOYSA-N 483.331 4.174 50 10 JIGE O=C(c1cc(Br)sc1Br)N1CCSC[C@@H]1CBr 388197054 RPKKTGGPVQUJQN-LURJTMIESA-N 464.042 4.226 50 10 JIGE O=S(=O)(N[C@@H]1CCC[C@@H](Br)C1)c1cc(Br)ccc1Br 694496283 JRHPRFCAQSHXLM-PSASIEDQSA-N 476.028 4.196 50 10 JIGE C[C@@H](CCBr)CNC(=O)c1ccc(I)c(Br)c1 721593612 KYCULWOSHDYNTP-QMMMGPOBSA-N 474.962 4.205 50 10 JIGE CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NNC(=O)C(C)(C)c1ccccc1 731231575 UMDLCAXSHHHRKG-IBGZPJMESA-N 464.393 4.263 50 10 JIGE N#CCCn1cc(/C=C(\C#N)C(=O)NCc2cccc(C(=O)NC3CC3)c2)c(-c2ccc(Cl)cc2)n1 916087454 ASDCUXSILZAFRB-KGENOOAVSA-N 498.974 4.233 50 10 JIGE COc1cc([N+](=O)[O-])ccc1-n1nc(C)c(C=NNC(=O)c2cc(F)c(F)cc2Cl)c1C 1084538871 ZPXFIDUECOAQFS-UHFFFAOYSA-N 463.828 4.101 50 10 JIGE CC(=O)N1CCN(C(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)[C@H](C)C1 1516095371 BXOZHMLAOKIXRJ-MXDDHBLUSA-N 459.377 4.387 50 10 JIGE CCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(OC)cc1OC)C(C#N)=C(N)O2 1865708170 PTGOOLLDCOBUOV-NRFANRHFSA-N 450.926 4.383 50 10 JIGE Cc1ccc(SCCCC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 1865852195 OVLCSNSYTNDNKR-DLBZAZTESA-N 498.674 4.172 50 10 JIGE O=C(NCCSCCBr)c1csc(Br)c1Br 1899597819 FWRKNIJWCVIOJI-UHFFFAOYSA-N 452.031 4.131 50 10 JIGE O=C1c2ccccc2C(=O)N1C[C@@H](Br)Cc1c(F)ccc(F)c1Br 1905405108 NUHRZEQBMIDRIY-VIFPVBQESA-N 459.084 4.330 50 10 JIGE FC(F)(CCl)[C@@H]1CCN(c2ncc(I)cc2Br)C1 2077100428 HWQFWEQYOUDGMO-SSDOTTSWSA-N 451.480 4.149 50 10 JIGE O=C(NCCC(F)(F)CCl)c1ccc(Br)cc1I 2086144795 FBCIWJNCBGDBBK-UHFFFAOYSA-N 452.464 4.048 50 10 JIGE BrCCN1CCCN(Cc2ccc(Br)cc2Br)CC1 2092262026 WBKZJDFOXZTXPC-UHFFFAOYSA-N 455.032 4.114 50 10 JIGE Cn1nc([C@H](Br)c2cc3c(cc2Br)OCC3)cc1Br 2094081003 XPRVWYCSHMVOAW-CYBMUJFWSA-N 450.956 4.364 50 10 JIGE Cn1cnc(CC(CBr)(CBr)c2ccc(Br)cc2)c1 2095102632 ZAKWBDXSIRXQAW-UHFFFAOYSA-N 451.000 4.453 50 10 JIGE O=S(=O)(CCC(CCl)CCl)Nc1ccc(Br)cc1Br 2104649754 QUENWXZHEFXDBJ-UHFFFAOYSA-N 454.011 4.437 50 10 JIGE CC1(C)CO[C@H](CBr)CN1C(=O)c1csc(Br)c1Br 2111236346 LCUZGDMXDNHTHG-SSDOTTSWSA-N 476.028 4.288 50 10 JIGE C[C@@H]1CCN(S(=O)(=O)c2ccc(CCl)c(Br)c2)CCN1Cc1ccccc1 2144842533 XDAPCQQIZLMKQB-MRXNPFEDSA-N 471.848 4.473 50 10 JIGE CC(C)(CBr)[C@H]1CCCN1C(=O)c1cccc(F)c1I 2155834088 XSIZWWVNGSXULW-GFCCVEGCSA-N 454.121 4.456 50 10 JIGE CC(C)(C)OC(=O)NCC[C@@H]1CCCCN1S(=O)(=O)c1ccc(CBr)cc1 2163055051 CNNMZOZKFDUSOA-INIZCTEOSA-N 461.422 4.040 50 10 JIGE CC1(C)CO[C@H](CO[C@@H](CI)c2cccc(Br)c2)CO1 2179852594 XHQLJGFOBUYTTN-KGLIPLIRSA-N 455.130 4.136 50 10 JIGE Cc1cc(S(=O)(=O)N(C)[C@@H]2CC[C@H]2OCc2ccccc2)cc(CBr)c1F 2179859142 YYRQFOZIWATGEK-RTBURBONSA-N 456.377 4.397 50 10 JIGE O=C(N[C@H]1COC2(CCC2)[C@@H]1Br)c1cc(Br)ccc1Br 2206484069 HQEJZLFKVBUPLZ-NWDGAFQWSA-N 467.983 4.026 50 10 JIGE O=C(NC[C@@H]1CC[C@H](CBr)CO1)c1cc(Br)sc1Br 2264706178 QMGLAQAVZUEVFL-SFYZADRCSA-N 476.028 4.193 50 10 JIGE CC1=NN(c2ccc(Br)cc2)C(=O)C1=CNC(=O)Nc1ccc(SC#N)cc1 2297511435 KSHIKIRJYLSSHU-UHFFFAOYSA-N 456.325 4.450 50 10 JIGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)Nc1ccccc1CBr 2338849172 DYBILUHHRQKGRV-UHFFFAOYSA-N 479.396 4.180 50 10 JIGE COc1cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2F)cc(OC)c1OC 38651995 YDPCQEBNZHVUEM-HSZRJFAPSA-N 476.460 4.289 50 10 JIGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)cc1 38677143 GNFJZKWZPTYHDV-RUZDIDTESA-N 471.469 4.360 50 10 JIGE CCN(c1ncnc(NNC(=O)Cc2ccc([N+](=O)[O-])cc2)c1[N+](=O)[O-])c1cccc2ccccc12 40589300 UHVIBZHBQSZOEI-UHFFFAOYSA-N 487.476 4.290 50 10 JIGE O=C(NNc1ncnc(Nc2cccnc2Cl)c1[N+](=O)[O-])c1ccc(Cl)cc1Cl 40658839 APWXPZPNPVUURJ-UHFFFAOYSA-N 454.661 4.241 50 10 JIGE O=C(Cn1c(C(F)(F)F)nc2ccccc21)N/N=C/c1ccc(OC(=O)/C=C/c2ccco2)cc1 59181291 IKOVUFNHGMYHCA-ZNAYOYDXSA-N 482.418 4.417 50 10 JIGE C/C(=N\NC(=O)c1ccc(CN2c3cccc4cccc(c34)S2(=O)=O)cc1)c1ccc(O)cc1 62286322 IFFCASPVUSCGHF-WPWMEQJKSA-N 471.538 4.408 50 10 JIGE O=C(C1CC1)[C@H](Br)Cc1ccc(Br)c(I)c1 300902258 LRIZLLLWDPZFNK-SNVBAGLBSA-N 457.931 4.339 50 10 JIGE O=S(=O)(N[C@@H](CBr)C1CCC1)c1cc(Br)ccc1Br 717585374 XXCOPBRIOPIMGG-NSHDSACASA-N 476.028 4.054 50 10 JIGE O=C(Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1)NN(Cc1ccccc1)c1ccccc1 731402065 VAJRKUWWCIGXCQ-QHCPKHFHSA-N 465.575 4.383 50 10 JIGE CCCc1nn(Cc2ccccc2)c2c1[C@H](c1cc(OC)c(OC)c(OC)c1)C(C#N)=C(N)O2 1865692511 MSHLVUAJPLTQTP-JOCHJYFZSA-N 460.534 4.128 50 10 JIGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865714971 SAOWTLQIWFXYOH-HXUWFJFHSA-N 465.897 4.369 50 10 JIGE CN(C)CCN(Cc1ccccc1)S(=O)(=O)c1cc(CCl)sc1Br 1946798455 UWOZCQPGNXXPOZ-UHFFFAOYSA-N 451.839 4.002 50 10 JIGE CCOC(=O)Cc1ccc(I)c(CBr)c1C(F)(F)F 2055273253 TYOHUZPWHMNINM-UHFFFAOYSA-N 451.020 4.311 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1[C@H]2CC[C@@H](C2)[C@@H]1CBr 2122175384 HSSUAOABZWPFRS-FWDPORAESA-N 498.984 4.442 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CCS[C@H](CCCl)C1 2142277959 WYWNGMGKGCBIHN-SNVBAGLBSA-N 474.589 4.240 50 10 JIGE FC1(F)CCOC[C@@H]1[C@H](Br)c1cc(I)cc2c1OCC2 2166683689 PNVRXBSGNYSOKZ-VXGBXAGGSA-N 459.068 4.334 50 10 JIGE Cc1sc(C)c(S(=O)(=O)NC[C@@H](Br)CC(F)(F)F)c1Br 2175691070 WIKBFTWCZHHVCB-ZETCQYMHSA-N 459.147 4.122 50 10 JIGE C[C@@H]1C[C@@H](Br)[C@@H](C)N(c2ncc(I)cc2Br)C1 2214805018 KWRXRHDXAKBKOV-NQMVMOMDSA-N 473.978 4.447 50 10 JIGE CC1(C)CCN(Cc2ccccc2)CCN1S(=O)(=O)c1cc(CCl)oc1Br 2239859391 YHZDKXCHOHVEIZ-UHFFFAOYSA-N 475.836 4.456 50 10 JIGE COCCN(C[C@@H](C)Br)C(=O)c1csc(Br)c1Br 2259780160 VCPZETHBGWHUMR-SSDOTTSWSA-N 464.017 4.145 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1C[C@H]2C[C@@H](Br)C[C@H]2C1 2268338938 BBDWQFULUIRCSQ-JGPRNRPPSA-N 454.533 4.190 50 10 JIGE Cc1nc(C2CCN(C(=O)[C@@H](Cl)C(C)C)CC2)nc2c1CCC(=O)N2CCc1ccccc1 2296578319 QZKBQSQOIXTUHN-QHCPKHFHSA-N 469.029 4.276 50 10 JIGE COc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)S(=O)(=O)c2ccccc2)cc1 2296720255 GAAYETAIFSRKKU-UHFFFAOYSA-N 473.510 4.142 50 10 JIGE O=C(NN=Cc1ccc(-c2ccc(C(=O)O)cc2)o1)NN=Cc1ccc(-c2ccc(C(=O)O)cc2)o1 2297459126 CKGVUWHGRYRYNE-UHFFFAOYSA-N 486.440 4.270 50 10 JIGE CS(=O)(=O)C1CC([C@@H](Br)c2sc(Cl)cc2I)C1 2300956017 UCIMZYXSXOTSDW-GVNUUABZSA-N 469.591 4.265 50 10 JIGE F[C@@H]1C[C@@H](Br)CN(Cc2ccc(I)c(Br)c2)C1 2306220030 SKMJIALHAZNPRN-NXEZZACHSA-N 476.953 4.361 50 10 JIGE CCCOc1ccc(C=C(C#N)C(=O)Oc2ccc3cc(C(=O)NCC(C)C)c(=O)oc3c2)cc1 2314750937 FLMAAKWUTFGTQS-UHFFFAOYSA-N 474.513 4.480 50 10 JIGE COc1cc(C=NNC(=O)Cc2cc(Cl)ccc2SC)cc([N+](=O)[O-])c1OC(C)C 2323686638 XWSUBATVMSTGDX-UHFFFAOYSA-N 451.932 4.459 50 10 JIGE COC(=O)c1ccccc1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)CC1=O 2331335731 INQKDVIJSGIXCF-OAHLLOKOSA-N 489.509 4.171 50 10 JIGE CN(Cc1c(Br)c(Br)nn1C)c1ncc(CCl)cc1Br 2364376356 KPGHSUAFFBZDMY-UHFFFAOYSA-N 487.421 4.478 50 10 JIGE Cc1ncnc(N2C[C@@H](CBr)C[C@@H](C(C)(C)C)C2)c1I 2365433618 WLTMTEYZAOZMPP-VXGBXAGGSA-N 452.178 4.273 50 10 JIGE CC(C)[C@H](Br)C(C)(C)CNC(=O)c1c(Br)c(Br)nn1C 2365868775 SHRQWILFRDFITJ-JTQLQIEISA-N 474.035 4.121 50 10 JIGE Cc1ccc(C(=O)NNC(=O)c2ccc(OCCC(C)C)cc2)cc1I 14021827 DTMFTNVYMDYCTI-UHFFFAOYSA-N 466.319 4.099 50 10 JIGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C)cc4)ccc32)cc(OC)c1OC 38660424 CKMSIQSUSYFSAU-XMMPIXPASA-N 472.497 4.458 50 10 JIGE COC(=O)c1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc([N+](=O)[O-])c2)CCC3)cc1 40813066 JGWLXOWEQQDAAZ-ZXVVBBHZSA-N 490.472 4.006 50 10 JIGE COc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)N3CCN(c4ccccc4)CC3)c(C)c21 40813131 BCNYTMQQTXEJFW-QUPMIFSKSA-N 486.572 4.029 50 10 JIGE Cc1c(C(=O)NNC(=O)c2ccccc2Cl)oc2c1/C(=N/NC(=O)c1cccc(Cl)c1)CCC2 101601517 DKPSRVAGPAVKAQ-OVVQPSECSA-N 499.354 4.440 50 10 JIGE Cc1c(C(=O)NNC(=O)c2ccco2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 101603653 RRRDTTFNOOSEIC-MFKUBSTISA-N 489.315 4.033 50 10 JIGE CCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)COc2ccc(C(C)(C)C)cc2)c(OC)c1 206406501 LWYRMOJSPZJOKK-RGEXLXHISA-N 450.535 4.410 50 10 JIGE CCC(CBr)(CBr)NS(=O)(=O)c1ccc(Cl)c(F)c1Cl 232874835 NXRXKDHMPRCNFR-UHFFFAOYSA-N 472.001 4.349 50 10 JIGE CC(=NNC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccc(NC(=O)c2ccco2)cc1 252600212 DOVBOTUJGQJWMI-UHFFFAOYSA-N 453.498 4.308 50 10 JIGE C=CCOc1ccccc1C=NNC(=O)CCCCCC(=O)NN=Cc1ccccc1OCC=C 254493234 NPDPITWTMKRHAM-UHFFFAOYSA-N 476.577 4.367 50 10 JIGE COc1cc(C=NNC(=O)CSc2nnc(N)s2)ccc1OCc1ccc(C(C)(C)C)cc1 256028548 UIWQJXRXFXNZOO-UHFFFAOYSA-N 485.635 4.248 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)NC[C@@H](Br)C2CCC2)cc1Br 315491863 FXCWTHXAPAQGMW-GFCCVEGCSA-N 490.055 4.362 50 10 JIGE FC(F)(F)Oc1cc(Br)c(CBr)c(I)n1 396157721 MZSKDRVMRFGMFE-UHFFFAOYSA-N 460.813 4.242 50 10 JIGE CN(C)[C@@H](CNC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1)c1ccccc1 827533321 DHGNCEITPAHNSY-VOZFUJEASA-N 472.980 4.443 50 10 JIGE CC(C)(CNC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1)N1CCCCC1 834804916 CKHHWOUAAAUEFZ-HKWRFOASSA-N 465.001 4.405 50 10 JIGE CCOc1ccccc1N1CCN(C(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)CC1 914456313 BABCAWDVHZUDIJ-FCDQGJHFSA-N 480.572 4.118 50 10 JIGE Cn1c(=O)n(C)c2cc(/C=C(/C#N)C(=O)Nc3cccc4ccccc34)c(Br)cc21 1084536106 XPTAZNYQHDYMPE-YBEGLDIGSA-N 461.319 4.338 50 10 JIGE COc1ccccc1NC(=O)C(=O)NN=Cc1ccc(OCc2ccc(Br)cc2)cc1 1084642638 NIDGDVBZOITWBZ-UHFFFAOYSA-N 482.334 4.126 50 10 JIGE COc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)Nc3ccc4c(c3)OCO4)c(C)c21 1772745842 JTXCWFYKUHQBLQ-UHFFFAOYSA-N 461.474 4.048 50 10 JIGE CCc1nn(Cc2ccccc2)c2c1[C@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865696433 MQEATZJHAQMLMI-LJQANCHMSA-N 451.324 4.180 50 10 JIGE CCOc1cc(/C=N/NC(=O)CCCCCNC(=O)OC(C)(C)C)cc(Br)c1O 1873795230 CVOOMMNBJUMEKV-YDZHTSKRSA-N 472.380 4.089 50 10 JIGE CCC[C@H](CBr)CN(Cc1ccccc1)CC1(O)CN(C(=O)OC(C)(C)C)C1 1955942661 BLBQKAKITMAXBT-LJQANCHMSA-N 455.437 4.282 50 10 JIGE CC1([C@@H](CBr)NC(=O)c2ccc(I)c(Br)c2)CC1 2033131067 XVYJPMAEUIWFKU-LLVKDONJSA-N 486.973 4.347 50 10 JIGE O=C(CBr)c1ccc(Cl)c(I)c1I 2060092875 IQYRCAZBGGCFNY-UHFFFAOYSA-N 485.284 4.127 50 10 JIGE CCOc1c(I)cc(CBr)cc1I 2060221212 NHIPNCUCOINVOU-UHFFFAOYSA-N 466.882 4.189 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@H]2C[C@H]1CC[C@H]2Br 2088646980 OXXVIVAJUVODMA-HLUHBDAQSA-N 498.984 4.442 50 10 JIGE O=C(N[C@@H]1C[C@H](CBr)[C@@H]2C[C@H]12)c1ccc(I)c(Br)c1 2110543595 NEKANHNXQATWRK-KEPMVKOISA-N 498.984 4.203 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1C[C@H]2C[C@@H](Br)C[C@H]1C2 2268339930 JVSUKPAKKAMZOD-JMJZKYOTSA-N 454.533 4.333 50 10 JIGE CCN(C[C@@](C)(CI)OC1(c2ccccc2)COC1)C(=O)OC(C)(C)C 2272886797 QVWRFVLFYIVMNC-LJQANCHMSA-N 475.367 4.379 50 10 JIGE CC1(C)C[C@@H](Br)CCN(C(=O)c2c(F)cccc2I)C1 2282805125 DIOYUUQZXOEAGJ-JTQLQIEISA-N 454.121 4.456 50 10 JIGE CCCOc1c(OC)cc(C=C(C#N)c2nc(O)c3cc(OC)c(OC)cc3n2)cc1OC 2331039397 BMHKRYZERHKQAJ-UHFFFAOYSA-N 451.479 4.223 50 10 JIGE CC(C)(C)OC(=O)NC[C@@H]1CN(C[C@]2(CBr)CC2(F)F)CC[C@H]1C(F)(F)F 2379985509 IUUBRGMCVCDNBD-LALPHHSUSA-N 465.301 4.432 50 10 JIGE Cc1ccccc1[C@H](C(=O)NC1CCCCC1)N(C[C@@H]1COc2ccccc2O1)C(=O)CCl 3036189 BQYMVBJPTNUETO-CJFMBICVSA-N 470.997 4.392 50 10 JIGE O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1ccc(O)c(I)c1 3212260 LOCJQPMZLLYPFQ-YDZHTSKRSA-N 472.282 4.193 50 10 JIGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)cc1 12489135 XZOHPYDEGWSXDP-UHFFFAOYSA-N 466.365 4.236 50 10 JIGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)COc3ccccc3C(C)(C)C)cc2)c1 14666761 HJTCLLKGMZCBKV-UHFFFAOYSA-N 459.546 4.385 50 10 JIGE C/C(=N/NC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1ccc(C#N)cc1 34715084 FVWFSNLKRWKEAM-MYYYXRDXSA-N 452.923 4.166 50 10 JIGE O=C(N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1cc(Cl)ccc1O 59165540 VATMWIRWZSWKEH-SSDVNMTOSA-N 456.798 4.418 50 10 JIGE Cc1cccn2c(=O)c(/C=C(/C#N)S(=O)(=O)c3ccc(Cl)cc3)c(N3CCC(C)CC3)nc12 102863753 PZURRAFFJSTKMV-ZHZULCJRSA-N 482.993 4.231 50 10 JIGE O=S(=O)(N[C@H]1CCCC[C@@H]1CBr)c1cc(Cl)c(Br)s1 231621973 LDHVKPOMJUDEIV-APPZFPTMSA-N 451.633 4.396 50 10 JIGE CCOc1cc(C=NNC(=O)Cc2cccs2)c(Br)c(Br)c1O 252595378 CANNHSCCEZHVEW-UHFFFAOYSA-N 462.163 4.070 50 10 JIGE Cc1ccc(N(CC(=O)NN=Cc2ccc(N(C)C)cc2)S(=O)(=O)c2ccccc2)cc1Cl 252622471 NWAAXOTZLHGMOA-UHFFFAOYSA-N 485.009 4.060 50 10 JIGE Cc1ccccc1-n1c(SCC(=O)NN=Cc2ccc(N(C)C)cc2)nc2ccccc2c1=O 254349994 QUMGQBVBKLQPBU-UHFFFAOYSA-N 471.586 4.003 50 10 JIGE CC(=NNC(=O)[C@@]1(C)CC1(Br)Br)c1ccc(Br)s1 254533375 RKHVUNGNLDQXRE-SNVBAGLBSA-N 459.001 4.247 50 10 JIGE C=CCc1ccc(OCC(=O)NN=Cc2cccc(OC(=O)c3ccc(OC)cc3)c2)c(OC)c1 254616382 OAWKGYUXWTXNAU-UHFFFAOYSA-N 474.513 4.181 50 10 JIGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccccc3)cc2OCC)cc1 254752913 BLBZAMSILJVSAX-UHFFFAOYSA-N 462.502 4.232 50 10 JIGE O=C(NNC(=S)Nc1ccc2c(c1)OCCCO2)c1ccccc1OCc1ccc(F)cc1 727270463 MOIJCLLXNJAHKT-UHFFFAOYSA-N 467.522 4.197 50 10 JIGE N#CCCn1cc(/C=C(\C#N)C(=O)Nc2cc3c(cc2F)CCC(=O)N3)c(-c2ccccc2)n1 914769527 FFIYNDITQVZVGW-WOJGMQOQSA-N 454.465 4.033 50 10 JIGE COc1ccccc1N(CC(=O)NN=Cc1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1 1084430976 BMRPXWVFFVWIKJ-UHFFFAOYSA-N 465.575 4.164 50 10 JIGE Cc1ccc(-c2csc3ncn(CC(=O)NNC(=O)CCCc4ccc(Cl)cc4)c(=O)c23)cc1 1860770412 HHAUXUIZUQIUBV-UHFFFAOYSA-N 495.004 4.257 50 10 JIGE CCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865705952 KKAOABVEPVUCSB-IBGZPJMESA-N 453.861 4.413 50 10 JIGE COc1cccc(OCC(=O)NNC(=O)c2ccc(-c3ccc(Cl)cc3Cl)nc2C)c1 1865759916 YFZUTXLNRUTAKZ-UHFFFAOYSA-N 460.317 4.212 50 10 JIGE CCCC[C@@H](NC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C)C(=O)Nc1ccc(SC#N)cc1 1867203430 KRYHUGZYWNARRU-HXUWFJFHSA-N 464.591 4.441 50 10 JIGE COc1cc(/C=N/NC(=O)[C@H](C)NC(=O)OC(C)(C)C)ccc1OCc1ccccc1Cl 1873793217 CUOHQVNWWAKPIA-SQAVSUBZSA-N 461.946 4.291 50 10 JIGE O=C(NCCCCI)c1csc(Br)c1Br 1930628071 PQMYJQRJCFCREX-UHFFFAOYSA-N 466.964 4.218 50 10 JIGE Clc1cc(I)c(CBr)c(I)c1 2060262972 DPBSZJHFSPWYHR-UHFFFAOYSA-N 457.274 4.444 50 10 JIGE F[C@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2c1ncc(I)cc1Br 2070540524 UUDVVWQNZSTPFM-MKHNBGRSSA-N 489.952 4.291 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CC[C@H](Cl)C2(CC2)C1 2093173272 APNQFAROPIJBNE-LBPRGKRZSA-N 454.533 4.287 50 10 JIGE CN(C(=O)c1ccc(I)cc1)C1(CBr)CCSCC1 2114716951 OOFOPMJUKULTOU-UHFFFAOYSA-N 454.171 4.024 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@H]2CC[C@@]2(CCl)C1 2142283049 KZLNURFLTVFJFE-YMTOWFKASA-N 454.533 4.145 50 10 JIGE O=C(NC[C@@H]1CCC[C@H]1CCl)c1ccc(Br)cc1I 2142285862 VPZGRUKIXLHKFE-UWVGGRQHSA-N 456.549 4.439 50 10 JIGE Cc1cc(C)c(S(=O)(=O)N2CCN(Cc3ccccc3)[C@H](C)C2)cc1CBr 2179859874 KCFPVBWKRHJONF-GOSISDBHSA-N 451.430 4.093 50 10 JIGE CCc1ccc(CBr)cc1S(=O)(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 2179861759 MBMSYIICTSBYDG-HXUWFJFHSA-N 451.430 4.039 50 10 JIGE O=S(=O)(N[C@@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@@H]21)c1ccc(CBr)cc1 2190549092 WVYIGFUSXDGBNJ-JYAXBFRTSA-N 450.398 4.244 50 10 JIGE C[C@@H](NC(=O)c1ccc(I)c(Cl)c1)c1nnc(CBr)s1 2192615549 LZLOIRXIKXDIOW-ZCFIWIBFSA-N 486.560 4.182 50 10 JIGE COc1cc(C)c(Br)c(C)c1[C@H](Br)c1nn(C)nc1Br 2285071383 ZXRFQLDVSWLDMO-NSHDSACASA-N 467.987 4.450 50 10 JIGE COc1ccc(C=C(C#N)C(=O)Nc2sccc2C(=O)OC(C)C)cc1CN1CCSCC1 2295672676 POGBZSFTKAKTKN-UHFFFAOYSA-N 485.631 4.416 50 10 JIGE C=CCc1cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(OC)c1OCC(=O)OCC 2313557147 VIIOVSCODLCSAN-UHFFFAOYSA-N 487.556 4.113 50 10 JIGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccccc1CC 2314760293 JRYUAJWFORTQKF-UHFFFAOYSA-N 474.513 4.448 50 10 JIGE O=C(N[C@@H]1C[C@@H]2C[C@H]1C[C@H]2Br)c1ccc(Br)cc1I 2333350055 DTFHBZDZORFUSQ-HTLPYRINSA-N 498.984 4.346 50 10 JIGE CC(C)[C@H]1C[C@H](Br)CN1S(=O)(=O)c1cc(Cl)c(Br)s1 2344599398 NUCWAUXSWWQLMY-IONNQARKSA-N 451.633 4.347 50 10 JIGE CC(C)[S@](=O)(=NC[C@@]1(CBr)CC1(F)F)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2351887557 APWHXYBJOUAMAD-FZYYTTRESA-N 459.397 4.293 50 10 JIGE COc1cccc(CN2c3ccccc3C3=C([C@@H](c4ccccc4)C(C#N)=C(N)O3)S2(=O)=O)c1 20558725 VNHFGWRXRRZYSN-QHCPKHFHSA-N 471.538 4.222 50 10 JIGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNC(=O)c1ccncc1)c1nc3cc(Cl)c(Cl)cc3nc12 33366402 YNXBCVUQHHRLAN-PKTZIBPZSA-N 470.360 4.122 50 10 JIGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)cc1 38650356 XLIJHUVFTMELDY-OYLFLEFRSA-N 460.461 4.425 50 10 JIGE Cc1c(C(=O)N2CCCCC2)oc2c1/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 40813448 KSJBYNKXVSEUDT-LFVJCYFKSA-N 458.902 4.246 50 10 JIGE O=C(CSc1n[nH]c(N/N=C/c2ccc3ccc4cccc5ccc2c3c45)n1)NNC(=O)C1CCC1 59879722 HYEJPRNUHLSBAI-UVHMKAGCSA-N 497.584 4.188 50 10 JIGE COc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccccc2)C(=O)CCl)cc1OC 97914563 BUGBELGGRTXKIL-XMMPIXPASA-N 458.986 4.461 50 10 JIGE CCCCCOc1ccc(/C=C2\C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)cc1OCC 214430272 VUJITYWCGRMNAC-QNGOZBTKSA-N 468.550 4.200 50 10 JIGE O=C(N[C@@H](CCBr)C1CCCC1)c1ccc(I)c(O)c1 725038788 ZJRZRLNSBJLTBA-ZDUSSCGKSA-N 452.130 4.070 50 10 JIGE COCc1cccc(CNC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)c1 916063508 FMTCGDIGCFQWMN-FYJGNVAPSA-N 459.937 4.487 50 10 JIGE O=C(O)c1ccc(COc2ccccc2C=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1 1084294052 NCURLEQEOSFJPD-UHFFFAOYSA-N 466.309 4.247 50 10 JIGE CC(=O)N(CCC(=O)NNc1cc(C(F)(F)F)ccc1Br)Cc1ccccc1 1642919972 JYETZIANPSTPBB-UHFFFAOYSA-N 458.278 4.350 50 10 JIGE COc1cc(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(F)c2)c1O 1865696342 MCVHKMMWRNJCKX-IBGZPJMESA-N 485.313 4.074 50 10 JIGE CC[C@H](NC(=O)C[C@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)Nc1ccc(SC#N)cc1 1866735588 LZMCCDJGUSXECG-SFTDATJTSA-N 465.575 4.448 50 10 JIGE CN(C[C@H](Cl)COCc1ccccc1)C(=O)Cc1ccccc1I 1916384032 VLABIXBVLVYBPN-KRWDZBQOSA-N 457.739 4.116 50 10 JIGE O=C(c1csc(I)c1)N1C[C@H](CBr)C2(CCCC2)C1 2118598678 YBTPOCBMGMPBPU-NSHDSACASA-N 454.171 4.380 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1C[C@@H]2CC(Br)C[C@H]2C1 2128655285 ROEHBEBRWYDWHO-UWVGGRQHSA-N 454.533 4.190 50 10 JIGE CN(CC(F)(F)CBr)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2150990227 OYZQFBKUWYYMEI-UHFFFAOYSA-N 475.964 4.407 50 10 JIGE C[C@@]12CN(Cc3ccccc3)C[C@@]1(C)CN(S(=O)(=O)c1ccc(CBr)s1)C2 2179818945 GCOHBUDEQZIJKH-PMACEKPBSA-N 469.470 4.176 50 10 JIGE CCN(CCCOCc1ccccc1)S(=O)(=O)c1cc(CBr)n(C2CC2)c1 2179858181 LDPPHTQIBQABSW-UHFFFAOYSA-N 455.418 4.335 50 10 JIGE COCC(C)(C)N(Cc1ccccc1)S(=O)(=O)c1ccc(OC)c(CBr)c1 2179859911 KQPWBOMRRHTOJP-UHFFFAOYSA-N 456.402 4.206 50 10 JIGE C[C@H](NC(=O)c1ccc(I)c(Cl)c1)c1nnc(CBr)s1 2192615548 LZLOIRXIKXDIOW-LURJTMIESA-N 486.560 4.182 50 10 JIGE CC(C)(C)OC(=O)N1CCC(CI)(OC[C@]23C[C@](C(F)F)(CO2)C3)CC1 2266283776 ANZQCERBCBJBBT-SAABIXHNSA-N 487.325 4.022 50 10 JIGE O=C(NC[C@H]1CCC[C@H](CBr)C1)c1c(F)cccc1I 2282810536 WUWMFEXHFOPBJV-QWRGUYRKSA-N 454.121 4.361 50 10 JIGE COc1cc(CO[C@@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)cc(OC)c1 2283527172 AXOCMTYDGQPROD-HXUWFJFHSA-N 491.366 4.425 50 10 JIGE Cc1cnc(C(=O)N[C@@H](CCBr)COCc2ccccc2)c(Br)c1 2303551400 YHAVSCZACKJAQK-HNNXBMFYSA-N 456.178 4.253 50 10 JIGE O=C(N[C@H]1C[C@@H](CCl)[C@@H]2C[C@@H]12)c1cc(Br)ccc1I 2329875467 VDBRKQMWGDNDLX-OIORRXCASA-N 454.533 4.047 50 10 JIGE COCCOc1ccc(C=C(C#N)C(=O)N[C@H](c2ccc(OC)cc2)c2nc(C)cs2)cc1 2331117813 NTXKKHJHMXNAFY-HSZRJFAPSA-N 463.559 4.298 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1C2CCC1(CBr)CC2 2340063387 KAAHIODXNYHQOC-UHFFFAOYSA-N 454.533 4.477 50 10 JIGE CC(F)(F)C[C@@H](CBr)NC(=O)c1ccc(Cl)cc1I 2340067480 CMBGOXBMQPJMGJ-QMMMGPOBSA-N 466.491 4.483 50 10 JIGE CO[C@]1(CCl)CCCN(Cc2ccc(I)c(Br)c2)C1 2349847742 MFRYKSSTMTZIBM-AWEZNQCLSA-N 458.565 4.274 50 10 JIGE CN([C@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]12)S(=O)(=O)c1cc(CBr)co1 2357092141 SWDFXFLLRDMORQ-VJANTYMQSA-N 454.386 4.179 50 10 JIGE CN1C(=O)[C@@]2(C(C#N)=C(N)N(c3ccc(Cl)cc3)C3=C2C(=O)CC(C)(C)C3)c2ccccc21 5945440 RQKBJUMBYUOZLF-AREMUKBSSA-N 458.949 4.411 50 10 JIGE CCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc3c(c2)C[C@@H](C)O3)C1=O 214210021 AGJXPYNSBCSZEM-NQRZERFFSA-N 464.525 4.475 50 10 JIGE CC1(C)CC(N)CC(C)(C)N1/C=C(/C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216497211 SHJSVAOVNKJWRR-LVWGJNHUSA-N 485.676 4.308 50 10 JIGE N#C/C(=C/NCc1ccccc1F)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216504753 UEMLVOZORZMCKD-DAFNUICNSA-N 454.549 4.257 50 10 JIGE COC1CCC(OC2(CI)CCN(C(=O)OC(C)(C)C)CC2)CC1 686228117 SZKNSRVJWOIZAD-UHFFFAOYSA-N 453.361 4.165 50 10 JIGE C[C@H]1CCN(C(=O)c2ccc(I)c(Cl)c2)C[C@H]1CBr 700432861 SDOMVJPWMLHLCG-GXSJLCMTSA-N 456.549 4.438 50 10 JIGE O=C(NNC(=O)c1cccnc1Oc1ccc(F)cc1Br)c1cccc(OC(F)F)c1 728484599 CNUCFZAPPASSNU-UHFFFAOYSA-N 496.239 4.452 50 10 JIGE Cn1cc(Br)cc1C(=O)NNC(=O)c1ccccc1CSc1nc2ccccc2[nH]1 758692670 CKCYEKYVOBZYLS-UHFFFAOYSA-N 484.379 4.031 50 10 JIGE Cc1ccccc1-c1noc(COC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)n1 761387140 DXLYXLKOWWAEKQ-ZHZULCJRSA-N 464.485 4.473 50 10 JIGE COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)c1C 913149913 HCDHLNBCCPAEJK-FXOGUAIKSA-N 468.598 4.082 50 10 JIGE N#CCCn1cc(/C=C(/C#N)C(=O)OC[C@H](C#N)Cc2ccc(F)cc2)c(-c2ccccc2)n1 920876195 FSLQDZQHCJBITR-ALFKQNEGSA-N 453.477 4.436 50 10 JIGE COc1cc(OC)cc(C(=O)NN=Cc2ccc(OC)c(COc3ccc(NC(C)=O)cc3)c2)c1 1084141878 LYJVWTSFFGIXPK-UHFFFAOYSA-N 477.517 4.014 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2F)[C@H]1c1ccc2c(c1)OCCO2 1865697857 CZOZFIDUUHVSAQ-SFHVURJKSA-N 472.398 4.079 50 10 JIGE CCOc1cc(/C=C(\C#N)c2nc(O)c3cc(OC)c(OC)cc3n2)cc(Br)c1O 1872727431 AQZXKPQCWCYSKN-LFYBBSHMSA-N 472.295 4.284 50 10 JIGE O=C(NC[C@]1(CBr)C[C@H]1C(F)(F)F)c1sccc1I 1877498499 ZVJAACBRQIVFMH-GMSGAONNSA-N 468.076 4.046 50 10 JIGE N=[S@](=O)(C[C@@H]1C[C@H]1Br)c1cc(I)ccc1Br 1900819476 DWVYHUMXLGNYKL-FODLEIRWSA-N 478.975 4.243 50 10 JIGE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)[C@@H]1NCCSSCCNC(=O)OC(C)(C)C 1985346687 GNZJUZIPAZXWGQ-FVQHAEBGSA-N 463.710 4.374 50 10 JIGE C[C@H](Br)[C@@H]1CCN(c2ncc(I)cc2Br)C1 1988535371 XBAMTCHWZXQQSR-JGVFFNPUSA-N 459.951 4.058 50 10 JIGE CC(C)(C)OC(=O)NC1(CC(=O)NC[C@H]2C[C@@H](Br)C2)CCN(Cc2ccccc2)CC1 2020190094 DZKNGQKSHCLNKX-BGYRXZFFSA-N 494.474 4.226 50 10 JIGE Cc1sc(C)c(S(=O)(=O)NCCCCCI)c1Br 2027396226 VHXIYWAQMMNECP-UHFFFAOYSA-N 466.204 4.011 50 10 JIGE CC(C)(CBr)c1cn(-c2cc(Br)ccc2I)nn1 2046456474 TUFQYDIGAATWMS-UHFFFAOYSA-N 484.961 4.307 50 10 JIGE C[C@@H](CCCCCI)NC(=O)c1ccccc1I 2054161558 LSDQVGRMDQBCOL-NSHDSACASA-N 471.120 4.405 50 10 JIGE O=C(CBr)c1cc(OC(F)F)c(I)c(C(F)(F)F)c1 2060377112 CHYLDOIEQKDCEW-UHFFFAOYSA-N 458.946 4.489 50 10 JIGE Fc1cnc(F)c(-n2nc(CBr)c(I)c2C(F)(F)F)c1 2078926410 HQODTPGJYZYIFW-UHFFFAOYSA-N 467.961 4.064 50 10 JIGE Cn1cc([C@@H](Br)c2cc(I)cc3c2OCC3)c(Br)n1 2116553737 FHWLCSZIFYQZDS-NSHDSACASA-N 497.956 4.206 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N[C@@H]2CC[C@@H](Br)C2)cc1Br 2121473742 JPGUZEFQGKUYOR-RKDXNWHRSA-N 476.028 4.114 50 10 JIGE Brc1cccc(Br)c1CN1CC[C@@]2(C[C@H](Br)CO2)C1 2137146796 ATXNKSJFNWWALI-IINYFYTJSA-N 454.000 4.340 50 10 JIGE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)[C@@H](Br)C2CCCC2)CC[C@H]1C(F)(F)F 2167032693 KKLYMNUSBYTWAG-MCIONIFRSA-N 457.331 4.244 50 10 JIGE C[C@@]1(CCOCc2ccccc2)CCN1S(=O)(=O)c1cc(F)ccc1CBr 2197753983 OPQILBCIWSWHCN-FQEVSTJZSA-N 456.377 4.481 50 10 JIGE FCC12CC([C@H](Br)c3cc(I)cc4c3OCC4)(CO1)C2 2202656812 CRKCTPVCTYIJDC-WLYUNCDWSA-N 453.089 4.181 50 10 JIGE CCN(C[C@](C)(CI)OCC12CC(C)(CO1)C2)C(=O)OC(C)(C)C 2247387926 SNDPZAOQQLZABN-ADKAHSJRSA-N 453.361 4.023 50 10 JIGE C[C@@H]1CCN(C(=O)Cc2cc(Br)cc(Br)c2)[C@@H]1CBr 2277930600 DWFGMJVCVMOOIX-NOZJJQNGSA-N 454.000 4.386 50 10 JIGE COC(=O)c1cccc(-c2ccc(C=C(C#N)C(=O)N3CCN(c4ccccc4)CC3)o2)c1C 2313567402 JUQVBZIVTPZCHJ-UHFFFAOYSA-N 455.514 4.297 50 10 JIGE CC(=O)OCCN1C(=O)C(=Cc2ccc(OCc3ccccc3Cl)cc2)C(C)=C(C#N)C1=O 2314620997 YGLWRIXJVKRSPA-UHFFFAOYSA-N 464.905 4.074 50 10 JIGE CCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(C(C)(C)C)cc2)c(OC)c1 2314737452 LWYRMOJSPZJOKK-UHFFFAOYSA-N 450.535 4.410 50 10 JIGE COc1ccc(NC=C(C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(OC)c1 2324605346 MLNZBNALJOUMTK-UHFFFAOYSA-N 482.584 4.457 50 10 JIGE Cn1nc(Br)c(Br)c1C(=O)Nc1ccccc1CCBr 2364015490 PSVYDCGIBUKGDP-UHFFFAOYSA-N 465.971 4.135 50 10 JIGE CC(C)(C)OC(=O)N1CCCN([S@](C)(=O)=NC[C@](C)(CBr)C(C)(C)C)CC1 2380204627 AXLYGJLNZMFMLC-UZTOHYMASA-N 468.502 4.389 50 10 JIGE CCOc1ccc(/C=C/C(=O)NC(=S)NNC(=O)c2sc3ccccc3c2Cl)cc1 13621135 HSGIASOCJLCRQV-FMIVXFBMSA-N 459.980 4.302 50 10 JIGE CCCC(=O)Nc1ccc(C(=O)NNC(=O)c2cc(Br)ccc2OCC(C)C)cc1 14666965 YYUTUZPXTNZMNI-UHFFFAOYSA-N 476.371 4.297 50 10 JIGE COCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)c1C 22093594 IEKRFVMCKYFSOY-BNZXWLTMSA-N 457.958 4.121 50 10 JIGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OC)cc2)cc1 38650392 TVATUFKEWFGZEI-SANMLTNESA-N 456.498 4.460 50 10 JIGE CC(C)C(=O)NNC(=O)[C@@H](C)Sc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1 59844845 AIDADPBYHXPXGF-GOSISDBHSA-N 488.617 4.317 50 10 JIGE COc1ccc(CN(C(=O)CCl)[C@@H](C(=O)NC2CCCCC2)c2ccc(OC)cc2)cc1 97914309 RXFNJMPSVQBLES-XMMPIXPASA-N 458.986 4.461 50 10 JIGE COc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc(O)n2)ccc1OCc1ccccc1 169923065 NMGZBLLOXAXSBF-JVWAILMASA-N 454.486 4.201 50 10 JIGE CCCOc1ccccc1/C=C(/C#N)C(=O)Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1 206984711 UJFRJKGOAADVMQ-RGEXLXHISA-N 480.546 4.427 50 10 JIGE O=C(N[C@H]1CCC[C@H]1CBr)c1cc(I)ccc1Br 231571915 JMMGWBZDWCMVIG-UFBFGSQYSA-N 486.973 4.347 50 10 JIGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(Cl)s2)cc1OC 252630863 VFDMWRRUJRSDIF-PQRNRAOISA-N 469.950 4.340 50 10 JIGE Cc1ccc(O[C@H](C)C(=O)NN=Cc2ccc(O)c(Br)c2)c(Br)c1 256017576 UKGYXLWXAMLJNW-LLVKDONJSA-N 456.134 4.143 50 10 JIGE ClCc1nc2ccncc2n1-c1cc(I)cc(I)c1 690391649 JGTKRJQPDFJNQY-UHFFFAOYSA-N 495.489 4.369 50 10 JIGE C[C@H]1CCN(C(=O)c2cc(Br)ccc2I)C[C@@H]1CCl 700414667 KAIMRPJHYSSSFR-UWVGGRQHSA-N 456.549 4.391 50 10 JIGE O=C(c1cccc(F)c1I)N1C[C@@H]2CC[C@H](Br)C[C@H]2C1 721690370 FOGHMQZZBBHMSH-DCAQKATOSA-N 452.105 4.066 50 10 JIGE O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)NN=Cc1cc2ccccc2nc1Cl 725418605 DZKDPHZHWOBGDV-UHFFFAOYSA-N 478.961 4.234 50 10 JIGE CCOc1cc(C=NNC(=O)CN2CCOCC2)cc(Cl)c1OCc1ccc2ccccc2c1 1083931618 OLYCNJYSDMEEOM-UHFFFAOYSA-N 481.980 4.253 50 10 JIGE C[C@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)s1 1914635620 ZPDQYFLWYCQLNH-NSHDSACASA-N 453.221 4.485 50 10 JIGE O=C(c1cc(Br)sc1Br)N1C[C@@H]2C[C@@H](CBr)[C@@H]2C1 2053979933 GGZGATPPSHTRHH-ZKWXMUAHSA-N 458.013 4.376 50 10 JIGE BrCc1cc(Br)c(OC[C@H]2COCCCO2)c(Br)c1 2097730000 WZVPYBMHAKJFFU-SNVBAGLBSA-N 458.972 4.291 50 10 JIGE CN(Cc1c(Br)cnn1C)c1cc(Br)ccc1CBr 2100250589 MKXSGJGZCQDFOS-UHFFFAOYSA-N 451.988 4.476 50 10 JIGE O=C(N[C@@H]1C[C@H](CBr)[C@@H]2C[C@@H]12)c1ccc(Br)cc1Br 2110550491 SPWPYYOPAQTHRE-DRBGRCKSSA-N 451.984 4.361 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H]2C[C@H](CCl)[C@@H]2C1 2117681343 AQROFUUKXCJUER-VWYCJHECSA-N 454.533 4.001 50 10 JIGE Cc1cccc(C(=O)NC[C@@H](Br)CC(F)(F)F)c1I 2119066839 YTXMUJSUSXWRPE-QMMMGPOBSA-N 450.036 4.045 50 10 JIGE O=S(=O)(NC[C@H](Br)CC(F)(F)F)c1cc(Cl)c(Br)s1 2119070261 DRJHQWGBHKPTCD-SCSAIBSYSA-N 465.538 4.158 50 10 JIGE Brc1ccc(Br)c(CN2CCO[C@@H]3C[C@@H](Br)C[C@@H]32)c1 2128864959 NGNCQNNDXFMECJ-FPMFFAJLSA-N 454.000 4.338 50 10 JIGE O=C(N[C@H]1C[C@H]2C[C@H]1C[C@H]2Cl)c1ccc(Br)cc1I 2142286323 ZANXYKHVPDGFGU-DQRYNJFASA-N 454.533 4.189 50 10 JIGE CCN1CCC[C@@H]([C@H](Br)c2cc(Br)ccc2Br)S1(=O)=O 2145757746 GMFJVPIIDQGLNM-QWHCGFSZSA-N 490.055 4.462 50 10 JIGE Cc1c(CBr)cccc1S(=O)(=O)N1C[C@H](C)N(Cc2ccccc2)C[C@@H]1C 2179779844 OCSAPHWZEATCBZ-IRXDYDNUSA-N 451.430 4.173 50 10 JIGE C[C@@H]1CN(Cc2ccccc2)CCCN1S(=O)(=O)c1ccc(F)c(CBr)c1 2179789271 OLOUGPRMZNNRBJ-MRXNPFEDSA-N 455.393 4.006 50 10 JIGE O=C(NC[C@@]12CCC[C@]1(CBr)C2)c1cccc(F)c1I 2208047393 YONDNRFHJOTIFD-CABCVRRESA-N 452.105 4.115 50 10 JIGE CCOc1c(Br)cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)cc1OC 2297400014 YAGXWEDCYJJEDI-UHFFFAOYSA-N 462.256 4.016 50 10 JIGE COc1ccc(CCN2C(=O)C(=CNc3ccccc3Cl)C(C)=C(C#N)C2=O)cc1OC 2314579083 JCWRUGDHEPINFY-UHFFFAOYSA-N 451.910 4.105 50 10 JIGE CC(=O)OCCN1C(=O)C(=Cc2ccc(-c3cccc(Cl)c3Cl)o2)C(C)=C(C#N)C1=O 2314620921 WCMYKOJRTSVOKG-UHFFFAOYSA-N 459.285 4.409 50 10 JIGE CCc1ccc(C(=O)C=C2SC(=Nc3ccc(C(=O)CBr)cc3)NC2=O)cc1 2323628507 UCLFJYYXPKVVTH-UHFFFAOYSA-N 457.349 4.444 50 10 JIGE C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)NN=Cc4ccc(C(F)(F)F)cc4)c(=O)c23)C1 2325903187 DDOMPHDTEJGGMG-STQMWFEESA-N 462.497 4.313 50 10 JIGE O=C(N[C@H]1C[C@@H](CBr)[C@@H]2C[C@@H]12)c1c(Br)cccc1Br 2329870262 MXKWNWDPKXVDPF-UOKLYIGXSA-N 451.984 4.361 50 10 JIGE CN(CCn1cc(Br)cn1)c1ccc(CBr)c(Br)c1 2336388798 DQXUEXVYAQRSRX-UHFFFAOYSA-N 451.988 4.439 50 10 JIGE C[C@H](Br)CN1CCCN(Cc2ccc(Cl)c(I)c2)CC1 2362379411 MFUOSXUISSEUOY-LBPRGKRZSA-N 471.608 4.236 50 10 JIGE Clc1ccc(I)cc1CN1CCCN(CCCBr)CC1 2380514515 CYELKTQEXQLBTM-UHFFFAOYSA-N 471.608 4.237 50 10 JIGE COc1cc(/C=N\NC(=O)CCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc(OC)c1OC 33154871 JCBZQEHSMRLCKP-RAWMCFOBSA-N 487.862 4.254 50 10 JIGE O=C(CSc1nnc(-c2cccc(Cl)c2)n1-c1ccccc1)NNC(=O)c1ccccc1 59822593 AKFWQXMIFOAEHM-UHFFFAOYSA-N 463.950 4.141 50 10 JIGE N#C/C(C(=O)NCc1ccco1)=C1\N=C(NC(=O)c2ccc(Cl)cc2Cl)c2ccccc21 102603180 AOEFYZARLDNWGO-CZIZESTLSA-N 465.296 4.328 50 10 JIGE CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)/C(C#N)=C\c2ccc(OCC)cc2)c(OCC)c1 206289370 GWZSZWYDCHIPSN-FGBZTSAVSA-N 460.486 4.467 50 10 JIGE CCC(CCl)(CCl)NC(=O)c1cc(I)ccc1Br 232913580 QEGNTRHVNSORHK-UHFFFAOYSA-N 464.956 4.410 50 10 JIGE O=C(CCCSc1nc2ccc([N+](=O)[O-])cc2s1)N/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 253566282 ITDOGFHACGAPTD-VXLYETTFSA-N 490.479 4.044 50 10 JIGE C[C@@]1(CBr)CCCN1C(=O)c1ccc(I)c(Br)c1 723011789 HNPDHQSOXQSPEL-ZDUSSCGKSA-N 486.973 4.443 50 10 JIGE CCOc1ccc(-n2c(C)cc(C=NNC(=O)C(=O)Nc3cccc(Br)c3)c2C)cc1 1084103363 GEUUFBNYUHSUKW-UHFFFAOYSA-N 483.366 4.344 50 10 JIGE CS(=O)(=O)N(Cc1ccc(C(=O)NN=Cc2c(F)cccc2Cl)cc1)c1ccccc1 1084423757 FWPJGLRPUATNEY-UHFFFAOYSA-N 459.930 4.209 50 10 JIGE CN(C(=O)OC(C)(C)C)[C@H]1Cc2cc(F)ccc2C1=NNC(=O)Nc1ccc2c(c1)OC(F)(F)O2 1088687212 DTVNPFGNNJSISQ-INIZCTEOSA-N 492.454 4.465 50 10 JIGE C=CCn1c(SCC(=O)NN=C(c2ccccc2)c2ccccc2)nnc1-c1ccccn1 1613608110 PVSQCPDTIFHTCQ-UHFFFAOYSA-N 454.559 4.187 50 10 JIGE O=C(COc1ccc(Cl)cc1)NN=C1C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 1772752410 HOLMVWHOQDRLDO-UHFFFAOYSA-N 454.313 4.440 50 10 JIGE CCOc1c(Br)cc(C=NNC(=O)COc2ccc(Cl)cc2C)cc1OC 1772754455 WDBAERYOKQMBHG-UHFFFAOYSA-N 455.736 4.347 50 10 JIGE O=C(COc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)c(Cl)c1 1858682320 MCAUMJZDCCMTRT-UHFFFAOYSA-N 460.805 4.411 50 10 JIGE C[C@@H](C(=O)N/N=C/c1ccc(F)c(Br)c1)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1860774104 NAEVGDIDJBOUDG-ABGDNVJCSA-N 491.386 4.196 50 10 JIGE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@@H]2c1cc(Br)cc(OC)c1O 1865696758 QXVHTUHHGTYVHJ-KRWDZBQOSA-N 467.323 4.265 50 10 JIGE CCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865710045 NCOQYQKQFBNKER-OAQYLSRUSA-N 493.907 4.045 50 10 JIGE BrC[C@@H](C1CC1)N(Cc1ccccc1)c1ncc(I)cn1 1915164191 GVUAXAWSGYCELG-HNNXBMFYSA-N 458.141 4.261 50 10 JIGE CCN(CC)S(=O)(=O)C[C@H](Br)c1csc(Br)c1Br 2032953425 JAOKFTOXGIOYPL-QMMMGPOBSA-N 484.073 4.381 50 10 JIGE Clc1cc(I)c(I)c(CBr)c1 2060263345 MWRLNTGWVGKDDM-UHFFFAOYSA-N 457.274 4.444 50 10 JIGE O=C(NCC[C@@H](Br)C1CC1)c1ccc(Br)cc1I 2086144990 HLXDDDCNYCWXPF-LLVKDONJSA-N 486.973 4.347 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CCC[C@H](Br)CC1 2086149027 JDDNYDSKUMQJSM-VIFPVBQESA-N 486.973 4.443 50 10 JIGE CN(C)CCCN(Cc1ccccc1)S(=O)(=O)c1ccc(CCl)cc1Br 2095866336 JCNVOSAMCUUCMX-UHFFFAOYSA-N 459.837 4.331 50 10 JIGE Clc1cc(CN2CCO[C@@H]3C[C@H](Br)C[C@H]32)ccc1I 2142943485 MMXLGXDRRFZPPB-LERXQTSPSA-N 456.549 4.071 50 10 JIGE CC(C)(CBr)[C@H]1CCCN1C(=O)c1ccc(I)c(O)c1 2155823343 HFYCHOPJGTWTFN-CYBMUJFWSA-N 452.130 4.023 50 10 JIGE CN(Cc1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2cc(CCl)ccc2Br)C1 2169152413 AQBRSKCMWQQVDY-GOSISDBHSA-N 471.848 4.473 50 10 JIGE Cc1csc(CBr)c1S(=O)(=O)N1CCN(Cc2ccccc2)[C@H](C(C)C)C1 2179822815 BARLHPMLOFJIQP-SFHVURJKSA-N 471.486 4.483 50 10 JIGE Clc1cc(CN2C[C@H](Br)C[C@@]3(CCCO3)C2)ccc1I 2208035792 HSOSOQMOYRHSBN-DOMZBBRYSA-N 470.576 4.463 50 10 JIGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCC(=O)OC 2313567827 LRTJNOLNHDUZBS-UHFFFAOYSA-N 473.323 4.254 50 10 JIGE CCCCC1CCC(C(=O)Oc2ccc(C=C(C#N)C(=O)N3CCOCC3)cc2OC)CC1 2314795919 DPFJUWJUQAJHRZ-UHFFFAOYSA-N 454.567 4.363 50 10 JIGE COc1cc2[nH]c(C(=O)O)c(C=NNC(=O)c3ccc4[nH]c5c(c4c3)CCCC5)c2cc1OC 2321672300 GNQFXFHPWPVMGF-UHFFFAOYSA-N 460.490 4.007 50 10 JIGE O=C(N[C@H]1C[C@@H](CBr)[C@H]2C[C@H]12)c1cccc(Br)c1Br 2329871362 MAEWMMZAFJYPDU-YJBLWWEUSA-N 451.984 4.361 50 10 JIGE O=C(N[C@H]1C[C@@H](CBr)[C@H]2C[C@@H]12)c1cc(I)ccc1Br 2329877862 JXTMBRHTQWVJSN-YTDXRRJTSA-N 498.984 4.203 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1CC[C@H](Br)[C@@H]2CC[C@@H]21 2340056065 WAOWXDBAWRLDCS-GAFUQQFSSA-N 454.533 4.333 50 10 JIGE O=C(c1csc(I)c1)N1CCC[C@@H](Br)[C@@H]1C(F)(F)F 2344129926 ZNGYHSUEMFPCOP-VXNVDRBHSA-N 468.076 4.283 50 10 JIGE Cl[C@@H]1C[C@@H]2OCCN(Cc3ccc(I)c(Br)c3)[C@@H]2C1 2349850605 AYDSBRPGZBWTKQ-GDLCADMTSA-N 456.549 4.024 50 10 JIGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)C1[C@H]2CS(=O)(=O)C[C@H]12 2365225716 MKWAXTIBYKLRSR-HFJPGXAFSA-N 491.014 4.386 50 10 JIGE Nc1nc2ccc(C(=O)NNC(=O)c3ccc(COc4ccc(Cl)cc4)cc3)cc2s1 9778483 SSRCWJZQTTZVTJ-UHFFFAOYSA-N 452.923 4.186 50 10 JIGE CC(C)CCOc1ccc(C(=O)NNC(=O)CCC(=O)Nc2ccccc2)cc1Br 14645632 ZMWGESDXBQJHRQ-UHFFFAOYSA-N 476.371 4.054 50 10 JIGE Cc1cccc(C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCCC(C)C)c1 14651208 GLXDQFZWRDFUNQ-UHFFFAOYSA-N 478.412 4.132 50 10 JIGE COc1ccc(NC(=O)[C@@H](NNC(=O)c2cn(C)c3ccccc23)c2ccccc2)cc1Cl 15501157 ZBZLMGDVFXYFGB-QHCPKHFHSA-N 462.937 4.455 50 10 JIGE COc1cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C)cc2)cc(OC)c1OC 38649209 OZPZRJMFSQJLHH-DEOSSOPVSA-N 472.497 4.458 50 10 JIGE O=C(NNc1ncnc(Nc2cccc(Cl)c2Cl)c1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 40646713 CFVQZLNUAOLIFZ-UHFFFAOYSA-N 464.225 4.100 50 10 JIGE COc1cc(/C=N/NC(=O)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OC(=O)c1ccccc1 48571900 KYIXIQAOVXFZQO-LGJNPRDNSA-N 486.311 4.310 50 10 JIGE O=C(NN=Cc1ccc([N+](=O)[O-])cc1)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 254526826 HCGHWOCKKGRCTC-XMMPIXPASA-N 460.515 4.133 50 10 JIGE CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=C/C=C\c2cccc([N+](=O)[O-])c2)cc1 254836134 NCEIYLRLPNZOGY-DQDBZAFRSA-N 483.528 4.247 50 10 JIGE CCC[C@@H](CCBr)NS(=O)(=O)c1cc(Br)ccc1Br 716934546 KZRSJSJSEIGNOR-JTQLQIEISA-N 478.044 4.444 50 10 JIGE CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(S(=O)(=O)C[C@H]3CCCO3)cc2)c1C 731336798 SQGNMWBOWQFXSL-FQWPPLDYSA-N 469.607 4.403 50 10 JIGE CCc1cccc(C)c1N1C[C@@H](C(=O)NNC(=O)c2ccc(-c3ccc(C)cc3)nc2C)CC1=O 1865757852 XWSSIDJZTWGCDZ-QFIPXVFZSA-N 470.573 4.050 50 10 JIGE O=S(=O)(c1cc(Br)cc(CCl)c1F)N(Cc1ccccc1)[C@H]1CCOC1 1915471679 ODYODBUPBUKGQS-INIZCTEOSA-N 462.768 4.307 50 10 JIGE O=S(=O)(N[C@H](CCBr)C(F)(F)F)c1ccc(Br)cc1Cl 1918522727 OQTFDROKGPPUJZ-SECBINFHSA-N 459.509 4.097 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@H]2C[C@H](Cl)C[C@H]2C1 2128655721 XZPPXKQXDHCWHM-URLYPYJESA-N 454.533 4.143 50 10 JIGE Clc1cc(CN2CC[C@H](OCCCBr)C2)ccc1I 2142942227 BKEOWKBIOVHTSP-LBPRGKRZSA-N 458.565 4.321 50 10 JIGE C[C@@H]1CN(Cc2ccccc2)CCN(S(=O)(=O)c2ccc(CBr)c(Cl)c2)C1 2179790459 DYLSOASUYUVFTP-MRXNPFEDSA-N 471.848 4.378 50 10 JIGE O=S(=O)(c1csc(CBr)c1)N1CC[C@]2(CCCN(Cc3ccccc3)C2)C1 2179826883 YCDPNYBOLXZNFN-FQEVSTJZSA-N 469.470 4.320 50 10 JIGE O=S(=O)(c1ccc(CCCBr)cc1)N1CC[C@@H](COCc2ccccc2)C1 2179857811 FFSJJMVUHJSYNU-HXUWFJFHSA-N 452.414 4.242 50 10 JIGE O=C(N[C@@H](CBr)C[C@@H]1CCOC1)c1cc(Br)ccc1Br 2195493064 LOLHDOUZWQNANV-GXSJLCMTSA-N 469.999 4.132 50 10 JIGE O=C(N[C@H](CBr)[C@H]1CC=CCC1)c1ccc(F)cc1I 2196154513 FAIIYJWYJNSSHP-IINYFYTJSA-N 452.105 4.280 50 10 JIGE O=C(COc1ccc(C(=O)NC2CCCCC2)cc1)NN=Cc1c(C(=O)O)[nH]c2ccc(Cl)cc12 2321697738 YAENAXFRKVPECX-UHFFFAOYSA-N 496.951 4.111 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@](C)(C(=O)O)c1cc(Br)cs1 2349644594 WNJCMXORAYTJAR-INIZCTEOSA-N 485.491 4.306 50 10 JIGE COC[C@]1(CBr)C=CCN1Cc1ccc(Cl)cc1I 2351712518 JHRZXTYDUOSYIR-CQSZACIVSA-N 456.549 4.097 50 10 JIGE Clc1ccc(I)cc1CN1[C@H](CBr)C[C@@H]2OCC[C@H]21 2352410292 GKETUSJWEXYJNK-YUTCNCBUSA-N 456.549 4.071 50 10 JIGE Clc1ccc(I)cc1CN1CCO[C@@H]2C[C@H](CBr)C[C@@H]21 2380531572 RCCYWQXTYRIUOE-WKPIXPDZSA-N 470.576 4.319 50 10 JIGE O=C(NNC(=S)NC(=O)c1ccc(Cl)cc1Cl)c1ccc(NC(=O)C2CCCCC2)cc1 12501495 XLUXYPAXCJFWJZ-UHFFFAOYSA-N 493.416 4.462 50 10 JIGE COc1cccc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)c1OCCc1ccccc1 32522824 CJCYFETUUSTCKI-WGOQTCKBSA-N 460.559 4.435 50 10 JIGE Cc1c(C(=O)Nc2ccccc2F)oc2c1/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)CCC2 40812981 GQAIGKABDLWFDG-NLRVBDNBSA-N 450.426 4.358 50 10 JIGE C=CCOc1ccc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1Br 58892802 USAYTJUCDQGUAP-ZOLHPDHPSA-N 461.356 4.377 50 10 JIGE COc1cc(/C=N/NC(=O)c2cccc(NC(=O)c3ccccc3Cl)c2)cc(OC)c1OC 97729883 CTEUCNSPKPLBPI-VULFUBBASA-N 467.909 4.382 50 10 JIGE C=CCNC(=O)/C(C#N)=C\c1ccc(OC(=O)c2cc(OCC)c(OCC)c(OCC)c2)c(OC)c1 98027960 VZCKLBSTWMWRRI-MOSHPQCFSA-N 494.544 4.320 50 10 JIGE O=S(=O)(NC[C@H]1CCC[C@@H]1CBr)c1cc(Cl)c(Br)s1 136707933 RTVMRHPMXZZMQC-HTQZYQBOSA-N 451.633 4.254 50 10 JIGE COc1ccc(CNC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)cc1 210034535 UOBNDWYKWGKAMX-BKUYFWCQSA-N 478.508 4.500 50 10 JIGE COc1ccc(/C=C\C(=O)Oc2ccc(C=NNC(=O)COc3ccc(C)cc3C)cc2)cc1 254739043 RYEIGPAOUXCEHA-KTBLLDDASA-N 458.514 4.460 50 10 JIGE CCc1ccc(OCC(=O)NN=Cc2ccc(OC(=O)/C=C\c3ccccc3)c(OC)c2)cc1 254833276 FKGDUDBFCZACNR-YJBVPARPSA-N 458.514 4.406 50 10 JIGE Brc1cc(I)c2c(c1)[C@@H](I)CCN2 306944661 YNIPRAWHOULPEE-ZETCQYMHSA-N 463.882 4.345 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CCC(F)(F)[C@@H](CCl)C1 403999221 LKWUSBVQMJGNOO-QMMMGPOBSA-N 478.502 4.390 50 10 JIGE CO[C@H]1CCC[C@H](OC2(CI)CCN(C(=O)OC(C)(C)C)CC2)C1 685992739 XWELVLLOMAFZTQ-GJZGRUSLSA-N 453.361 4.165 50 10 JIGE C[C@@H]1CCN(C(=O)c2ccc(I)c(Cl)c2)C[C@H]1CBr 700432863 SDOMVJPWMLHLCG-MWLCHTKSSA-N 456.549 4.438 50 10 JIGE COc1cc(-n2cc(C[C@H](C)Br)nn2)c(Br)cc1Br 709373487 HQKCASWYCXKLSO-ZETCQYMHSA-N 453.960 4.127 50 10 JIGE Cn1ncc(Br)c1[C@@H](Cl)c1cc(I)cc2c1OCC2 710306168 YVWKPSLNDHRDQS-NSHDSACASA-N 453.505 4.050 50 10 JIGE CN(C)CCCNC(=O)[C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725237408 GDHRXZZBVWNWOZ-GOSISDBHSA-N 461.937 4.148 50 10 JIGE COCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)Nc2c(C)nn(-c3ccccc3)c2C)c1C 897573016 BBYPAUAUGSCLAK-CPOKCXMASA-N 489.576 4.031 50 10 JIGE COc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1[N+](=O)[O-] 1084414344 VICUFOSPUIFBOQ-NTUHNPAUSA-N 463.231 4.062 50 10 JIGE COc1cc([N+](=O)[O-])c(OC)cc1SCC(=O)NNC(=O)c1sc2ccccc2c1Cl 1088718460 UXRKZYWNQZZAPD-UHFFFAOYSA-N 481.939 4.033 50 10 JIGE C=CCNC(=O)c1ccc(NC(=O)NNc2cccc(OC(F)F)c2Br)cc1 1667588843 BQKNGTJKMBDGPO-UHFFFAOYSA-N 455.259 4.115 50 10 JIGE O=C(OC[C@H]1O[C@@H](OC(=O)c2ccccc2)[C@H](Cl)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 1848435241 VDCIOKMTTDZNQF-BILGYAHESA-N 480.900 4.258 50 10 JIGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)ccc1O 1865681141 FYKUEYNNYOYTBN-SFHVURJKSA-N 474.414 4.412 50 10 JIGE CC[C@H](Br)CN(C)C(=O)c1ccc(I)c(Br)c1 1999386380 OIDDQOCJSLNWQY-VIFPVBQESA-N 474.962 4.299 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CC=CC[C@H]1CBr 2056313952 BIDLCZFQGSHHOZ-JTQLQIEISA-N 484.957 4.219 50 10 JIGE C#CC[C@@](C)(CBr)CNC(=O)c1cc(Br)c(Br)s1 2084840773 HMZLUZLXKBBCFH-LBPRGKRZSA-N 458.013 4.427 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@@H](Br)C2(CC2)C1 2086144735 DHOWOWLOKAVIND-LLVKDONJSA-N 484.957 4.053 50 10 JIGE O=C(c1ccc(Br)cc1Br)N1CC(F)(F)C[C@@H]1CBr 2102792716 WBBFWLHZJTWTSD-MRVPVSSYSA-N 461.926 4.456 50 10 JIGE CC[C@@H]1CN(S(=O)(=O)c2cc(C)c(CBr)s2)CCN1Cc1ccccc1 2123243790 ODMSAGCHPHZLQT-QGZVFWFLSA-N 457.459 4.237 50 10 JIGE COc1cc(CNCCSSCCNC(=O)OC(C)(C)C)cc(Br)c1O 2125294402 VGIHBSWVLGFWLA-UHFFFAOYSA-N 467.451 4.159 50 10 JIGE O=C(Cc1ccccc1I)N[C@@H]1CCCC[C@H]1CCBr 2146715906 RCOCWAKLQDFZNL-SWLSCSKDSA-N 450.158 4.294 50 10 JIGE FC1(F)CCOC[C@H]1[C@@H](Br)c1cc(I)cc2c1OCC2 2166683688 PNVRXBSGNYSOKZ-RYUDHWBXSA-N 459.068 4.334 50 10 JIGE CN(Cc1ccc(Cl)s1)S(=O)(=O)c1cc(CBr)oc1Br 2179775535 LZZOCVVEXJNEEN-UHFFFAOYSA-N 463.600 4.473 50 10 JIGE Cc1oc(C)c(S(=O)(=O)N(C)[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)c1CBr 2179791026 LTPDNOYAJVICRS-RDTXWAMCSA-N 455.418 4.075 50 10 JIGE C[C@@H](NC(=O)OC(C)(C)C)c1csc(NS(=O)(=O)c2ccc(CBr)cc2)n1 2203128219 IVKRBZFQTXJHFY-LLVKDONJSA-N 476.418 4.425 50 10 JIGE C[C@@H]1C[C@@H](C(F)(F)F)N(CCCCI)CCN1C(=O)OC(C)(C)C 2248245557 GNOBIHWZUPIJHT-OLZOCXBDSA-N 464.310 4.464 50 10 JIGE CC[C@H]1CN(C(=O)Cc2cc(Br)cc(Br)c2)C[C@@H]1Br 2277936868 POKDKRDLUJJLQK-GWCFXTLKSA-N 454.000 4.386 50 10 JIGE COc1ccc(C=CC(=O)Oc2cccc(C=NNC(=O)COc3cccc(Cl)c3)c2)cc1 2297552208 RYVXVWKHXHAFCH-UHFFFAOYSA-N 464.905 4.497 50 10 JIGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)COc3ccc(Cl)cc3C)cc2)c1 12578310 WTVVTVRTGYDBRH-UHFFFAOYSA-N 451.910 4.049 50 10 JIGE CCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc([C@H](C)CC)cc1 14036248 FIZNYMLOTMVKMG-GOSISDBHSA-N 471.623 4.484 50 10 JIGE CCc1ccc(O[C@@H](C)C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 14039936 GUCIEAOQOJZKAR-HNNXBMFYSA-N 477.399 4.303 50 10 JIGE CC(C)(C)c1ccccc1OCC(=O)NNC(=O)COc1ccc(Br)cc1Cl 14666828 SSYZKHYXMBWXMH-UHFFFAOYSA-N 469.763 4.005 50 10 JIGE N#CC1=C(N)N(N2CCOCC2)C2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccccc1Cl 27551832 VYEJNJIHCGNTSY-UUOWRZLLSA-N 460.965 4.081 50 10 JIGE CCCCCCN/C(SCC(=O)Nc1c(C)cccc1C(C)C)=C(\C#N)C(=O)N1CCN(C)CC1 105802942 FALKPBLLLHMLFK-RWEWTDSWSA-N 499.725 4.469 50 10 JIGE CCOC(=O)c1nn(-c2ccccc2)c2c1CN(C(=O)NC[C@@]1(C)C[C@H](N=C=O)CC(C)(C)C1)CC2 170290584 ZEOHLCWNHKOGIF-WINIVTDRSA-N 493.608 4.038 50 10 JIGE N#C/C(=C/Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216492878 SSIWUWXNARUKOK-ATJXCDBQSA-N 467.529 4.348 50 10 JIGE FC(F)c1cc(I)nc(I)c1CBr 238687164 YIOJSGNIYYQQMB-UHFFFAOYSA-N 473.824 4.123 50 10 JIGE CC(=NNC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1)c1ccc(NC(=O)c2ccccc2C)cc1 252634667 WQHWTWGOHWQWHR-UHFFFAOYSA-N 486.488 4.147 50 10 JIGE C[C@H](Br)[C@H]1CCCCN1S(=O)(=O)c1cc(Cl)c(Br)s1 708496057 JLIYXRDTESAEIU-IONNQARKSA-N 451.633 4.491 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CCCC[C@@H]1CBr 721612975 JZFQOSMOYGDBIW-SNVBAGLBSA-N 486.973 4.443 50 10 JIGE Cc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccc(N(C)C)cc1 1084491033 YPQAKFALFQIDLV-LYBHJNIJSA-N 453.590 4.416 50 10 JIGE CC(=O)N[C@@H](C(=O)NNc1ccccc1Cc1ccccc1)c1cccc(Br)c1 1165357089 NHFMHQWPERLMOI-JOCHJYFZSA-N 452.352 4.360 50 10 JIGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2ccc(O)c([N+](=O)[O-])c2)C1 1614615509 OBXZPAMJTIBKNC-CVEARBPZSA-N 482.274 4.088 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)cc2)[C@H]1c1ccc(O)cc1O 1865681878 ZAWWICQTBXUGQR-INIZCTEOSA-N 462.815 4.233 50 10 JIGE CCc1nn(-c2ccccc2)c2c1[C@H](c1cc(Br)cc(OC)c1O)C(C#N)=C(N)O2 1865697122 XLNMLSIAMKOPSR-GOSISDBHSA-N 467.323 4.130 50 10 JIGE COc1ccc(-c2ccc(C(=O)NNC(=O)c3ccc(Cl)c(Cl)c3)c(C)n2)cc1OC 1865758135 LBOXKZQRKHYIIC-UHFFFAOYSA-N 460.317 4.456 50 10 JIGE CCOC(=O)c1cnn(-c2ccccc2F)c1NC(=O)/C(C#N)=C/c1cccc(Br)c1 1866131700 JNENKDJDTCWHQW-XNTDXEJSSA-N 483.297 4.496 50 10 JIGE Cc1nc(CNC(=O)OC(C)(C)C)sc1C(=O)NC(C)(C)C(=O)Nc1ccc(SC#N)cc1 1867078881 VPKBGJQTVOWBSM-UHFFFAOYSA-N 489.623 4.197 50 10 JIGE CCC[C@@H](NC(=O)c1cc(-c2ccc(F)c(F)c2)[nH]n1)C(=O)Nc1ccc(SC#N)cc1 1867092660 LXNJKXFBBHBPLB-GOSISDBHSA-N 455.490 4.465 50 10 JIGE CCOC(=O)Cc1ccc(CBr)c(I)c1Br 2054979334 VDYIFBIBGDLUOZ-UHFFFAOYSA-N 461.919 4.054 50 10 JIGE O=C(CCl)c1cc(I)cc(I)c1OC(F)(F)F 2060034854 WAQMHPSNDKKZDA-UHFFFAOYSA-N 490.384 4.216 50 10 JIGE C=CC[C@@H](CBr)CNC(=O)c1ccc(I)c(Br)c1 2082047223 QGUAYHSDODYYHB-VIFPVBQESA-N 486.973 4.371 50 10 JIGE O=C(NC[C@]1(F)C[C@@H](CCl)C1)c1cc(Br)ccc1I 2112240652 VLHCOCFRLXQVLV-KTLJEJPDSA-N 460.512 4.141 50 10 JIGE CC[C@H]1CN(S(=O)(=O)c2cc(Cl)c(Br)s2)C[C@@H]1CBr 2140781983 FGTUOSDLEPASMB-YUMQZZPRSA-N 451.633 4.206 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CCC2(CC(Br)C2)C1 2142287500 DRDBJKLEUXBPHN-UHFFFAOYSA-N 498.984 4.443 50 10 JIGE CCN1CCC[C@H]([C@@H](Br)c2ccc(Br)cc2Br)S1(=O)=O 2145757688 GEYNCBXHUQZLCE-OLZOCXBDSA-N 490.055 4.462 50 10 JIGE CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)[C@H](Br)C2CCCC2)C(F)(F)CC1 2167032233 MBVORVFJJISERC-LSDHHAIUSA-N 453.368 4.339 50 10 JIGE C[C@@H](Br)CN1CCCN(C(=O)c2cc(Br)c(Br)s2)CC1 2176857885 KROCGZUMFPVOAM-SECBINFHSA-N 489.071 4.204 50 10 JIGE CC1(C)CN(Cc2ccccc2)CCN1S(=O)(=O)c1ccc(CBr)cc1F 2179792776 KNLHAVOGUVTWDE-UHFFFAOYSA-N 455.393 4.006 50 10 JIGE CN([C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)S(=O)(=O)[C@H]1CC[C@@H](CBr)C1 2179828758 TZUYKYGYAUWBRA-MJCUULBUSA-N 455.462 4.007 50 10 JIGE CC(C)(C)OC(=O)NC[C@H]1C[C@H]([S@](C)(=O)=NC(=O)c2ccc(CBr)cc2)C1 2192626557 QTSUJUYITGJSKC-CSUULGGQSA-N 459.406 4.123 50 10 JIGE Fc1cc(Br)c(Br)cc1[C@H](Br)[C@@H]1CO[C@@H]2COC[C@H]21 2225616987 LCJQVKIVAUDQNL-NRCRGUPPSA-N 458.947 4.448 50 10 JIGE O=C(CCNC(=O)OCC1c2ccccc2-c2ccccc21)NC[C@H]1C[C@@H](Br)C1 2241633674 ASVFMHUDRAKWFX-IYBDPMFKSA-N 457.368 4.205 50 10 JIGE O=C(CCCNC(=O)OCC1c2ccccc2-c2ccccc21)NC[C@@H]1C[C@@H]1Br 2241637879 OXUJRQGSVQSLBF-BTYIYWSLSA-N 457.368 4.205 50 10 JIGE CC[C@H]1CN(C(=O)c2ccc(Cl)cc2I)C[C@@H]1CBr 2340055515 FRSZMGJHNCUQFC-UWVGGRQHSA-N 456.549 4.438 50 10 JIGE CN(C[C@H]1C[C@H](Br)C1)[C@@H](CN)c1ccc(Cl)cc1I 2346301307 IAQMQPGAKHCBKG-BHDSKKPTSA-N 457.581 4.050 50 10 JIGE CC1(C)CO[C@H](CBr)CN1Cc1cc(I)ccc1Cl 2352426782 XIPWDLSETJRFGT-GFCCVEGCSA-N 458.565 4.319 50 10 JIGE C[C@H](Br)C[C@@H]1CCCCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364201076 BDXMHGFQXGNVPA-ROUUACIJSA-N 499.471 4.201 50 10 JIGE BrC[C@@]12CCCC[C@H]1N(Cc1ncc(I)cn1)CCC2 2381293290 MNIXJJPAXGWXRY-HIFRSBDPSA-N 450.162 4.001 50 10 JIGE CN1C(=O)/C(=N/NC(=O)c2ccc(CN3C(=O)c4cccc5cccc3c45)cc2)c2ccccc21 3292743 LLVGYDMYQOCDNT-XLVZBRSZSA-N 460.493 4.111 50 10 JIGE C=CCOc1ccccc1C(=O)NNC(=S)NC(=O)c1ccc(OCCCCCC)cc1 14029200 HXHLHDRSISPIAC-UHFFFAOYSA-N 455.580 4.160 50 10 JIGE CCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccccc1-c1ccccc1 14032333 GTSCFFVAUFPZBH-UHFFFAOYSA-N 477.586 4.247 50 10 JIGE COc1ccc(CC(=O)N/N=C\c2c(O)c(Br)cc3oc4c(c23)CCCC4)cc1OC 38804119 UAQBCQXNNVEPGE-ROTLSHHCSA-N 487.350 4.490 50 10 JIGE CCOc1ccc(Nc2ncnc(NNC(=O)c3ccccc3Br)c2[N+](=O)[O-])cc1 40649589 NSBVUBWRFBWEFF-UHFFFAOYSA-N 473.287 4.047 50 10 JIGE CCCCCN1C(=O)C(=NNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)c2ccccc21 254566788 MOQHVCSLAJKQKR-UHFFFAOYSA-N 496.614 4.220 50 10 JIGE Cc1cccn2c(=O)c(C=NNC(=O)c3ccncc3)c(Nc3ccc(SC(F)F)cc3)nc12 254850351 XJKWKLNRKAVVOY-UHFFFAOYSA-N 480.500 4.220 50 10 JIGE C[C@H]1CC[C@H](CBr)CN1S(=O)(=O)c1cc(Cl)c(Br)s1 688681931 ZFLMOMBYPIGWKW-JGVFFNPUSA-N 451.633 4.348 50 10 JIGE O=C(CCOc1ccccc1)NNC(=O)N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 729615783 ABQZDPSAQXWTOZ-IBGZPJMESA-N 454.527 4.126 50 10 JIGE Nn1c(CCc2ccccc2)nnc1SCCCC(=O)NN=Cc1cccc(Cl)c1Cl 1084126969 PLJSHAAHMCWLRS-UHFFFAOYSA-N 477.421 4.107 50 10 JIGE C/C(=C\c1c(Cl)cccc1Cl)C(=O)NNC(=O)COc1ccccc1Br 1132942983 YWENRSHOENQNCU-PKNBQFBNSA-N 458.139 4.386 50 10 JIGE Cc1c(C(=O)N(C)Cc2ccccc2)oc2c1C(=NNC(=O)c1cccc([N+](=O)[O-])c1)CCC2 1772746149 QRLJWSXGRPPUEK-UHFFFAOYSA-N 460.490 4.239 50 10 JIGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2Cl)cc(OC)c1OC 1865693454 VVMRJKAFRAOFSZ-FQEVSTJZSA-N 452.898 4.078 50 10 JIGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@H](c2ccc(OC)cc2OC)C(C#N)=C(N)O3)cc1 1865708444 WYMQEOXWULZVGH-HSZRJFAPSA-N 481.512 4.178 50 10 JIGE COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccn2)cc1OC 1865711016 OBIAKSLQYCADQR-HSZRJFAPSA-N 481.512 4.178 50 10 JIGE CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccc(-c2ccc(C(C)=O)cc2)o1 1873793850 ZZMYTJGENNWOJG-OEBVFIGYSA-N 459.568 4.246 50 10 JIGE O=C(c1cc(Br)c(Br)s1)N1CCC(I)CC1 1992344392 BCJOCRQCEUJIAD-UHFFFAOYSA-N 478.975 4.313 50 10 JIGE CC[C@@H](Br)[C@H](C)NC(=O)c1ccc(Br)cc1I 2026220014 APHUBUAUANFFEC-OIBJUYFYSA-N 474.962 4.346 50 10 JIGE Cc1cc(Br)c(C(=O)N2C[C@H](Br)[C@H](Br)C2)cc1Cl 2075319284 LLZHPOCAHDTXRN-AOOOYVTPSA-N 460.391 4.394 50 10 JIGE O=C(c1sccc1I)N1CC[C@@H]2CC[C@@H](Br)C[C@@H]2C1 2139238226 MORXCHLVVADTIB-HBNTYKKESA-N 454.171 4.378 50 10 JIGE Cc1cc(CBr)ccc1S(=O)(=O)N(C)[C@H]1C[C@H](C)N(Cc2ccccc2)C1 2179774985 IYOWSXQQPWUNJO-PXNSSMCTSA-N 451.430 4.173 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@@H](F)C[C@@H](Br)C1 2219180377 IFNSCHXABGWURX-BDAKNGLRSA-N 490.936 4.001 50 10 JIGE Cn1nc([C@H](Br)c2ccc3c(c2Br)CCO3)cc1Br 2229722171 FIMAABSSOHPOHL-CYBMUJFWSA-N 450.956 4.364 50 10 JIGE N#CC(=Cc1ccc(OC(=O)c2ccccc2I)cc1)C(=O)NCc1ccco1 2314760324 LDKFLDHXRXZKNW-UHFFFAOYSA-N 498.276 4.327 50 10 JIGE CN(CC[C@H](Br)c1cccs1)Cc1ncc(I)cn1 2353072259 RVJFJAVZPHZSGK-NSHDSACASA-N 452.159 4.101 50 10 JIGE CN([C@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]12)S(=O)(=O)c1occc1CBr 2357091766 OWWVMBCXLZLNEH-RDGPPVDQSA-N 454.386 4.179 50 10 JIGE CC1(C)CC(CBr)(CN2C[C@H](NC(=O)C(F)(F)F)CC[C@H]2C(F)(F)F)C1 2371131720 QYBSFUKEVCHKNR-MNOVXSKESA-N 453.265 4.262 50 10 JIGE Cc1ccc(-n2c(SCC(=O)NNC(=O)c3ccc(F)cc3)nnc2-c2ccccc2)cc1C 10212436 OIPTYGMPLWUWGN-UHFFFAOYSA-N 475.549 4.244 50 10 JIGE CCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(-c2ccccc2)cc1 14655041 OGWXBYZPEWFLPB-UHFFFAOYSA-N 469.335 4.355 50 10 JIGE Cc1cc(Cl)ccc1Nc1ncnc(NNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1[N+](=O)[O-] 40590618 NEAHRSZRTYTEQX-UHFFFAOYSA-N 478.252 4.409 50 10 JIGE COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccccc1Cl 40878378 KOSQDLCLFSNCDY-GZTJUZNOSA-N 466.877 4.149 50 10 JIGE COc1ccc(C=NNC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)o2)cc1CSCc1ccco1 97437067 YJKZSNRUHUQQOL-UHFFFAOYSA-N 495.517 4.232 50 10 JIGE CCCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)CCCCCN2C(=O)c3ccccc3C2=O)cc1 97442387 DVSLOKGXEXQKII-UZYVYHOESA-N 487.556 4.272 50 10 JIGE CC(=O)Oc1ccc(C(C)=NNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)cc1 254500286 JSGVFBPOSQTFCQ-UHFFFAOYSA-N 485.569 4.492 50 10 JIGE CC[C@@H](Br)c1cn(-c2ccc(I)cc2Br)nn1 304207330 QJHOZVXJZDETDT-MRVPVSSYSA-N 470.934 4.480 50 10 JIGE CC(C)(C)OC(=O)NC[C@](C)(CI)OC[C@@H]1C[C@@H]2CCCC[C@H]2O1 379136904 RCFMGTZGYKAXME-AFIMGQEJSA-N 453.361 4.069 50 10 JIGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CCC(CCBr)CC1 401013543 HXPXLZQFLAOHKG-UHFFFAOYSA-N 451.633 4.350 50 10 JIGE CO[C@]1(CBr)CCCN(C(=O)c2cc(Br)sc2Br)C1 401623152 SUJSLAKGOQRHAV-LBPRGKRZSA-N 476.028 4.289 50 10 JIGE CC(C)[C@@H](CI)NC(=O)c1scc(Br)c1Br 705508926 BHSWNQZHOVRSCI-SSDOTTSWSA-N 480.991 4.463 50 10 JIGE CCOc1ccc(N(CC(=O)NN=C(C)c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 1083967951 ASRYQDRBUDSHIP-UHFFFAOYSA-N 483.565 4.269 50 10 JIGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)NN=C(C)c1ccccc1O 1084438200 GQMIPBCCOMLYRO-UHFFFAOYSA-N 470.986 4.068 50 10 JIGE C/C(=C/C(=O)NNC(=O)COc1ccccc1Br)c1ccc(C(F)(F)F)cc1 1438921464 XSFSTEDKGBEYDA-BENRWUELSA-N 457.246 4.098 50 10 JIGE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)[C@H](C)Oc1ccc2ccccc2c1 1608458798 DZJKSXCRURZSMY-UWJYYQICSA-N 455.555 4.004 50 10 JIGE COC[C@@H](C)NC(=O)c1oc2c(c1C)C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772747533 CYDSWYPXHMFDES-GOSISDBHSA-N 473.573 4.341 50 10 JIGE CCN1CCN(C(=O)c2oc3c(c2C)C(=NNC(=O)Cc2coc4cc(C)cc(C)c24)CCC3)CC1 1772751642 ILKSFHDPHRWTHK-UHFFFAOYSA-N 490.604 4.128 50 10 JIGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@H](c2ccc(O)c(O)c2)C(C#N)=C(N)O3)cc1 1865680786 VYZVMVAGZXGIKC-JOCHJYFZSA-N 452.470 4.177 50 10 JIGE COc1ccc(-c2ccc(C(=O)NNC(=O)CCc3ccccc3Br)c(C)n2)cc1OC 1865759402 YOXLXRNZCUITKL-UHFFFAOYSA-N 498.377 4.231 50 10 JIGE CC[C@H](NC(=O)C[C@@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)Nc1ccc(SC#N)cc1 1866735587 LZMCCDJGUSXECG-RTWAWAEBSA-N 465.575 4.448 50 10 JIGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)C[C@H]1C[C@@H]1Br 1881363479 WRMYSFIZLOPIML-ZSDSOXJFSA-N 457.368 4.155 50 10 JIGE BrC[C@H]1CCCN(c2ncc(I)cc2Br)C1 1988530520 GWKQSPKLIXIGQA-MRVPVSSYSA-N 459.951 4.060 50 10 JIGE CN(C[C@H](Cl)COCc1ccccc1)C(=O)c1cc(I)ccc1F 2003650197 SBNHROVSWFICFS-AWEZNQCLSA-N 461.702 4.327 50 10 JIGE CCOC(=O)c1c(I)cc(CBr)cc1OC(F)(F)F 2055276659 VAHSVDROBFWTNM-UHFFFAOYSA-N 452.992 4.261 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1CCC[C@@](F)(CBr)C1 2101309967 IJCUHPIDMQYIOM-CYBMUJFWSA-N 460.512 4.284 50 10 JIGE Cc1cccc(C(=O)NC[C@H](Br)CC(F)(F)F)c1I 2119066838 YTXMUJSUSXWRPE-MRVPVSSYSA-N 450.036 4.045 50 10 JIGE O=S(=O)(c1cnn(CCCBr)c1)N(Cc1ccccc1)Cc1cccs1 2123200958 POJUDEZYEBTXHP-UHFFFAOYSA-N 454.415 4.121 50 10 JIGE O=S(=O)(c1c(CBr)sc2ccccc12)N1CC(OCc2ccccc2)C1 2123251981 LKTNUPXLGQCRMD-UHFFFAOYSA-N 452.395 4.386 50 10 JIGE O=C(c1cccc(Br)c1Br)N1C[C@H]2C[C@@H](Br)C[C@H]2C1 2128640440 VJWYGTITOZCXAT-ILWJIGKKSA-N 451.984 4.457 50 10 JIGE Clc1ccc(I)c(CN2CCO[C@@H]3C[C@@H](Br)C[C@@H]32)c1 2128865429 OINZQDZEMNAWQP-LEWSCRJBSA-N 456.549 4.071 50 10 JIGE Clc1ccc(I)c(CN2C[C@@H](CBr)OC3(CCC3)C2)c1 2165765559 IDCGILGGWAHEKA-CYBMUJFWSA-N 470.576 4.463 50 10 JIGE Cc1sc(C(=O)NCCSSCCNC(=O)OC(C)(C)C)cc1Br 2213744954 OMUHCCAQGJMDSK-UHFFFAOYSA-N 455.465 4.455 50 10 JIGE O=C(c1ccc(I)cc1)N1CCC(CBr)(C(F)F)CC1 2289940401 CNMSSPFQELOYHB-UHFFFAOYSA-N 458.084 4.174 50 10 JIGE N#CC(=Cc1ccc(OCc2ccc(C(=O)O)cc2)cc1)C(=O)N1CCN(c2ccccc2)CC1 2313568725 YCDXQNYEGGNUAN-UHFFFAOYSA-N 467.525 4.220 50 10 JIGE N#CC(=Cc1cccc(Br)c1)C(=O)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 2324522021 GEVNWWHQIFVGRQ-XMMPIXPASA-N 450.380 4.481 50 10 JIGE COc1c(Br)cc(C)c([C@@H](Br)[C@H]2CCS2(=O)=O)c1Br 2339690628 KBTQTSCBTGVSTC-SCZZXKLOSA-N 477.012 4.152 50 10 JIGE O=C(N[C@@H]1C[C@H]2C[C@H]1C[C@@H]2Br)c1ccc(Cl)cc1I 2340066674 SYPXSRZWBCJRGP-AOOGTALZSA-N 454.533 4.236 50 10 JIGE C[C@](NCC1CC(Br)C1)(C(=O)O)c1cc(Br)c(Br)s1 2349225202 XNVGEHFTRILQAN-LBVLNNNDSA-N 476.028 4.336 50 10 JIGE C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 14665911 BXSAVPSIMCMYOV-SFHVURJKSA-N 459.546 4.465 50 10 JIGE C[C@H](Nc1cccc2ccccc12)C(=O)N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O 27528119 TYEDNUOBUSNRFS-JHAVZTMOSA-N 457.284 4.167 50 10 JIGE O=S1(=O)CC[C@H](C(CBr)(CBr)Cc2cc(Br)cs2)C1 118669462 FFDCJRPXVBKMAX-VIFPVBQESA-N 495.096 4.264 50 10 JIGE COc1ccc2nc(N(N=Cc3ccc([N+](=O)[O-])o3)C(=O)c3cccc([N+](=O)[O-])c3)sc2c1 254383540 KABPDKVINICWAB-UHFFFAOYSA-N 467.419 4.395 50 10 JIGE C[C@H]1CCN(S(=O)(=O)c2cc(Cl)c(Br)s2)C[C@H]1CBr 703990341 VRWOOSBSUZOPOO-JGVFFNPUSA-N 451.633 4.206 50 10 JIGE CCOc1ccc(OCC)c(NC(=S)NNC(=O)C2CCN(c3nc4ccccc4s3)CC2)c1 727492971 DSWUIFAWGGYHPP-UHFFFAOYSA-N 499.662 4.328 50 10 JIGE Cc1nc(-c2ccc(OC(=O)/C(C#N)=C\c3cn(CCC#N)nc3-c3ccccc3)cc2)no1 916846505 BSIOJTKJPQILMD-ZHZULCJRSA-N 450.458 4.335 50 10 JIGE C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)NN=Cc1c(C)nn(C(C)C)c1C 1083887259 RKZABYVIUSKZNY-UHFFFAOYSA-N 480.642 4.021 50 10 JIGE CCOc1ccccc1N(CC(=O)NN=Cc1ccc(OC(C)C)cc1)S(=O)(=O)c1ccccc1 1083915036 DFSFELZEGPQNDW-UHFFFAOYSA-N 495.601 4.218 50 10 JIGE C=CCOc1ccc(C=NNC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1 1084391393 WMICZNHOIIKJJI-UHFFFAOYSA-N 483.977 4.250 50 10 JIGE COC(=O)NN=C(c1ccc(OC)cc1)[C@H](c1ccc(OC)cc1)[C@@H]1OC(=O)c2ccccc21 1088700188 ASDUSDVPCQVXER-LADGPHEKSA-N 460.486 4.459 50 10 JIGE C=CCNC(=O)c1ccc(NC(=O)NNC(=O)c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)cc1 1214815371 LXTXBPKVNJFDCQ-QGZVFWFLSA-N 454.596 4.281 50 10 JIGE C#C[C@H](NC(=O)/C(C#N)=C\c1cc(C)n([C@@H](C)COC)c1C)c1ccc(Br)cc1 1436651195 LXUVJDYPRZSVJQ-NSHXYVIESA-N 454.368 4.473 50 10 JIGE CC(=O)c1nc(NC(=O)NNC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)sc1C 1624965855 AGIYATVXRSTBAI-UHFFFAOYSA-N 458.927 4.353 50 10 JIGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc(N3CCCC[C@@H]3C)cc2C)cc1 1668012463 HQRIMCYZWRVYJZ-HKUYNNGSSA-N 452.555 4.197 50 10 JIGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(OC)cc2)cc(Br)c1O 1865687893 CQWGMIGPKFYKSE-HXUWFJFHSA-N 497.349 4.274 50 10 JIGE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@@H]2c1cc(Br)cc(OC)c1O 1865696893 TUHWVLKHRYEMND-SFHVURJKSA-N 497.349 4.273 50 10 JIGE CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3CC(C)C)cc1OC 1865696964 MBGDDUBCHKDZMB-GOSISDBHSA-N 475.387 4.489 50 10 JIGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865714017 AYFQOKNNEVKWLJ-HXUWFJFHSA-N 465.897 4.369 50 10 JIGE COc1ccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1Br 1873795307 WRRFCSJBHZZWBY-MAKCPWPFSA-N 476.371 4.044 50 10 JIGE N#C/C(=C(/O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1873940843 KBDMSJLYWSSXHU-FXBPSFAMSA-N 479.474 4.413 50 10 JIGE CN(C[C@H]1C[C@@H](Br)C1)C(=O)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2020195628 XLGUTVRIBFOUPP-BGYRXZFFSA-N 494.474 4.178 50 10 JIGE CN1CCC[C@H]([C@@H](Br)c2cc(Br)c(Br)s2)S1(=O)=O 2029051694 GGYRSWJJGFRMEI-BDAKNGLRSA-N 482.057 4.133 50 10 JIGE CCN1CC[C@@H]([C@H](Br)c2cc(Br)c(Br)s2)S1(=O)=O 2029056865 AWBUMYHVVJOWCU-DTWKUNHWSA-N 482.057 4.133 50 10 JIGE O=C(CCl)c1c(I)cc(I)cc1C(F)(F)F 2060048748 WMVXMBFACGTMCR-UHFFFAOYSA-N 474.385 4.336 50 10 JIGE O=C(NCC1(CBr)CCC1)c1ccc(Br)cc1I 2086139122 KXFPJVBHFDMLGL-UHFFFAOYSA-N 486.973 4.349 50 10 JIGE CCN(CC)S(=O)(=O)C[C@H](Br)c1cccc(Br)c1Br 2092335462 NMWYLKSBHAVYHZ-NSHDSACASA-N 478.044 4.319 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CC(F)(F)C[C@@H]1CCl 2102803982 MYDWYTJJJGWZCJ-MRVPVSSYSA-N 464.475 4.142 50 10 JIGE O=C(c1cc(Br)c(Br)s1)N1CCC[C@H](OCCBr)C1 2113864294 NRKSFJIZGFJUPI-QMMMGPOBSA-N 476.028 4.289 50 10 JIGE CCN([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(CBr)ccc1C 2179790521 FQZLEEWMZNQFNH-FQEVSTJZSA-N 451.430 4.175 50 10 JIGE Cc1csc(CBr)c1S(=O)(=O)N1CC[C@H]2CC[C@@H](C1)N2Cc1ccccc1 2179819451 LWWCRHPQPFNUJC-MSOLQXFVSA-N 469.470 4.379 50 10 JIGE O=[N+]([O-])c1sc(CBr)cc1N1CC[C@H]2OCCN(Cc3ccccc3)[C@H]2C1 2185514654 OPJHYMJRIOWAEE-ZWKOTPCHSA-N 452.374 4.031 50 10 JIGE CN(CC1CC(Br)C1)S(=O)(=O)c1cc(CBr)ccc1Br 2196928367 RXDYVRJDBCZQCO-UHFFFAOYSA-N 490.055 4.138 50 10 JIGE CC(C)[C@@H](Br)C(=O)Nc1ccc(Br)cc1I 2212601965 WPUUVEGANLVYNV-SNVBAGLBSA-N 460.935 4.412 50 10 JIGE Cc1cc(Br)c([C@H](Br)[C@H]2CCS2(=O)=O)c(C)c1Br 2220140042 CZGIXTAMOGSVCN-BXKDBHETSA-N 461.013 4.452 50 10 JIGE O=C1c2ccccc2C(=O)N1C[C@@H](Cl)Cc1c(F)c(F)c(Br)c(F)c1F 2243483462 QCIWCHPBFIVTEX-ZETCQYMHSA-N 450.613 4.452 50 10 JIGE CN(Cc1ccc(I)cc1)S(=O)(=O)c1cc(CBr)cs1 2280261830 MJCCJZYVFNPLMK-UHFFFAOYSA-N 486.194 4.068 50 10 JIGE COc1ccc(C[C@@H]2SC(=C(C#N)C(=O)NCc3ccco3)N(c3ccccc3)C2=O)cc1 2296834825 HPDIOSJTTAZCTI-QFIPXVFZSA-N 459.527 4.031 50 10 JIGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)C=Cc2cccc3ccccc23)c(Br)c1 2313616858 AFIUAJANKIUKFL-UHFFFAOYSA-N 498.402 4.025 50 10 JIGE N#CC(=Cc1ccc(OC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1)C(=O)NCc1ccco1 2314753196 JVIBJAQCONJKCO-UHFFFAOYSA-N 451.822 4.284 50 10 JIGE O=C(N[C@H]1C[C@H](CBr)[C@H]2C[C@@H]12)c1cc(I)ccc1Br 2329877856 JXTMBRHTQWVJSN-HMMKDHSLSA-N 498.984 4.203 50 10 JIGE COc1ccc(OC)c(-c2csc(C(C#N)=C(O)c3ccc(NS(C)(=O)=O)cc3)n2)c1 2331325117 LBIHWCLORBFFRZ-UHFFFAOYSA-N 457.533 4.149 50 10 JIGE CCOC(=O)c1sc(NC(=O)CCCS(=O)(=O)c2ccc(F)cc2)c(SC#N)c1C 9914893 TWMVAUMQBJBGRP-UHFFFAOYSA-N 470.569 4.138 50 10 JIGE Cc1ccc(C(=O)NNC(=S)NC(=O)c2cc(Cl)cc(Cl)c2)cc1Br 10506043 BONZQCXGTPZWGC-UHFFFAOYSA-N 461.168 4.014 50 10 JIGE COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2O)cc1 15223911 UHWVIEIPNCSCQZ-IZZDOVSWSA-N 452.102 4.471 50 10 JIGE CC(C)(C)c1ccc(C(=O)NNC(=O)[C@@H]2CCCN(C(=O)c3cccc4ccccc34)C2)cc1 21783981 NLHXQUHJENXCLP-OAQYLSRUSA-N 457.574 4.451 50 10 JIGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1 38654954 VBKLKZZNTDPQAU-RUZDIDTESA-N 471.469 4.360 50 10 JIGE O=C1OC(=O)[C@@H]2[C@@H](c3ccccc3)C=CN(n3c(-c4ccc(Cl)cc4)nc4ccccc4c3=O)[C@H]12 105629401 RTSSVKFLFSTOQB-PTUXOGIPSA-N 483.911 4.034 50 10 JIGE Cn1cc(CC(CBr)(CBr)c2cccc(Br)c2)cn1 118671840 OSQKZBAUSGWUOV-UHFFFAOYSA-N 451.000 4.453 50 10 JIGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1CCC(Br)CC1 125675747 RYSJNQWFLIYMDI-UHFFFAOYSA-N 451.995 4.304 50 10 JIGE C=CCOc1ccc(/C=C2\C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1OCC 214389825 WPTBTKQIJROBCU-JAIQZWGSSA-N 472.497 4.171 50 10 JIGE COc1ccc(OCC(=O)NN=Cc2cc(C)n(-c3ccc(Br)cc3)c2C)cc1 252622864 OEISSLILGUZZEC-UHFFFAOYSA-N 456.340 4.394 50 10 JIGE C[C@@H]1CN(Cc2ccccc2)CCCN1S(=O)(=O)c1cc(CCl)ccc1Br 382640222 BEQOYFJYNCATJG-MRXNPFEDSA-N 471.848 4.473 50 10 JIGE CN([C@@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(CCl)ccc1Br 388337273 LWEKWGXRVJPTTK-GOSISDBHSA-N 471.848 4.473 50 10 JIGE FC(F)(F)Oc1c(Br)cc(CBr)nc1I 396153054 IBNBZASYAHIOTH-UHFFFAOYSA-N 460.813 4.242 50 10 JIGE CCN(C[C@@](C)(CI)OCCOCC1CCC1)C(=O)OC(C)(C)C 400640356 AGKOJZFXXBFMQR-GOSISDBHSA-N 455.377 4.270 50 10 JIGE C[C@H]1CC[C@H](CBr)CN1S(=O)(=O)c1cc(Br)ccc1Br 688693322 OJZJJXZSLBUNEH-VHSXEESVSA-N 490.055 4.396 50 10 JIGE CC(=NNC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12)c1cccc(-n2cnnn2)c1 826595235 PXUKHXVPXAEVPI-UHFFFAOYSA-N 451.465 4.171 50 10 JIGE CCCCCn1nc(C(=O)NN=C2CCN(CCc3ccccc3)CC2)c2ccccc2c1=O 915947843 AFXHYUMJHLFXDM-UHFFFAOYSA-N 459.594 4.011 50 10 JIGE O=C(Nc1nc(Cl)c(SCCl)c(Cl)n1)NS(=O)(=O)c1ccccc1Cl 1615217004 KRPJVTGFFRSZAU-UHFFFAOYSA-N 462.167 4.236 50 10 JIGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc3nc(C(C)(C)C)sc3c2)cc1 1659592646 NXFRTNZOIPWWKX-CQSZACIVSA-N 454.552 4.417 50 10 JIGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(F)cc2)[C@@H]1c1ccc(O)c(O)c1 1865680562 OHEXNPNFVQPPTG-JOCHJYFZSA-N 454.461 4.367 50 10 JIGE CN(C1CC(CBr)C1)S(=O)(=O)c1cc(Br)ccc1Br 1879164265 OMIUMBQEEBWINY-UHFFFAOYSA-N 476.028 4.006 50 10 JIGE O=C(NC[C@@H](Br)CBr)c1cc(Br)ccc1Br 1981565622 NWJIEBSIXKUQDQ-ZETCQYMHSA-N 478.804 4.100 50 10 JIGE O=S(=O)(c1cc(CBr)ccc1Br)N(Cc1ccccc1)[C@@H]1CCOC1 2059312844 QBQOZVFCMYKNQQ-MRXNPFEDSA-N 489.229 4.324 50 10 JIGE FC1(F)CCN(c2ncc(I)cc2Br)CC[C@H]1Br 2069531459 IRWCPKRHLKJHFH-SECBINFHSA-N 495.931 4.448 50 10 JIGE CC1(C)[C@@H](CNC(=O)c2cc(I)ccc2Br)C[C@H]1Cl 2097953440 ZBYFBWXUBDOQOI-PRHODGIISA-N 456.549 4.437 50 10 JIGE Cc1sc(CBr)cc1S(=O)(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 2123229822 MJFHWAVMMDFLLG-OAHLLOKOSA-N 457.459 4.237 50 10 JIGE CC[C@H]1CN(C(=O)c2cc(Cl)ccc2I)C[C@@H]1CBr 2140789665 USCFKHQUNSYHSI-UWVGGRQHSA-N 456.549 4.438 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@H]2C[C@@H](Br)C[C@H]1C2 2142292578 VTHKRNIORTYKRF-JMJZKYOTSA-N 498.984 4.442 50 10 JIGE C[C@@H]1Cc2cc([C@@H](Cl)c3cnn(C)c3I)cc(Br)c2O1 2146621710 PZTDSVPKVFXZQS-JMCQJSRRSA-N 467.532 4.439 50 10 JIGE C[C@@H]1[C@@H](C(F)(F)F)N(C(=O)[C@H](Br)C2CCCC2)CCN1C(=O)OC(C)(C)C 2172604131 LYSQSJFZCROSCV-BNOWGMLFSA-N 457.331 4.339 50 10 JIGE Cc1oc(C)c(S(=O)(=O)N2CCN(Cc3ccccc3)CC[C@@H]2C)c1CBr 2179787054 JNOKWIIEIDFMRK-HNNXBMFYSA-N 455.418 4.076 50 10 JIGE C[C@H]1CN(Cc2ccccc2)CCCN1S(=O)(=O)c1cc(CBr)ccc1F 2179789437 QKQKFEDTGASUMC-INIZCTEOSA-N 455.393 4.006 50 10 JIGE CN(CC1CC(Br)C1)C(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@]1(C)C(F)(F)F 2196906908 KVYYTASAOHQLQH-CAEPASBNSA-N 457.331 4.054 50 10 JIGE CNC(=O)C(C#N)=C1S[C@@H](Cc2cc(Cl)cc(Cl)c2)C(=O)N1c1ccc(OC)cc1 2314592888 DDYAZTNKBWTORK-SFHVURJKSA-N 462.358 4.174 50 10 JIGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 2314795974 JZWLAJXALDWNDY-LJQANCHMSA-N 492.572 4.131 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@H]2C[C@H](CCl)[C@H]2C1 2333350914 KIZVVDBVPPCYKD-KBVBSXBZSA-N 454.533 4.001 50 10 JIGE Cc1ncnc(N2CCC[C@]3(CBr)CCCC[C@@H]23)c1I 2365432535 RRUFSSALLMWYNZ-DOMZBBRYSA-N 450.162 4.314 50 10 JIGE COCCNC(=O)Cn1cc(/C=C(/C#N)C(=O)Nc2ccc3ccccc3c2)c2ccccc21 6136184 MLCPRDONCRETOR-STZFKDTASA-N 452.514 4.103 50 10 JIGE O=C(COc1ccc(-c2ccccc2)cc1Br)NNC(=O)Cn1ccc2ccccc21 14776278 RRACTLUGUKJSKK-UHFFFAOYSA-N 478.346 4.297 50 10 JIGE COc1ccc(/C(C#N)=C\c2cccc(OC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)c2)cc1OC 31902925 WWUBGFQHKJCIHG-STZFKDTASA-N 492.553 4.237 50 10 JIGE Cc1nn(-c2cccc(F)c2)c(N2CCN(C(C)C)CC2)c1CN(C(=O)[C@H](C)Cl)C(C)C 34835732 JOUVQNZGEAADOC-SFHVURJKSA-N 464.029 4.215 50 10 JIGE CCOc1cc(/C=N\NC(=O)CCNC(=O)c2ccccc2Cl)ccc1OC(=O)c1ccccc1 34983201 PSRULAFEZDPVOP-RHANQZHGSA-N 493.947 4.228 50 10 JIGE CC(C)(CCl)C(=O)N1CCN(c2nc(Cc3ccccc3)nc3c2cnn3-c2ccccc2)CC1 35908280 GYSQTFBLFIWFNM-UHFFFAOYSA-N 489.023 4.320 50 10 JIGE C[C@@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc([N+](=O)[O-])cc1 38654812 ODOJPFSVNXBSBF-FATZIPQQSA-N 475.432 4.325 50 10 JIGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4C)ccc32)c1OC 38658771 AJISTUUYUKMODS-RUZDIDTESA-N 472.497 4.215 50 10 JIGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)cc1 38700437 RDYHIQXYUJEIQB-JWQCQUIFSA-N 454.482 4.213 50 10 JIGE COc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4ccc5c(c4)OCO5)c(C)c32)cc1 40813806 PJALMCHWMISRSU-OVVQPSECSA-N 461.474 4.048 50 10 JIGE CCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)OC)cc2OC)cc1OC 103756947 JBKPHTAABAPLKD-WQXXOLMXSA-N 451.475 4.191 50 10 JIGE COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 206393800 FIUAZNIMPJNAKP-MOSHPQCFSA-N 457.442 4.046 50 10 JIGE CO[C@@H]1[C@@H](Br)C[C@@H]1Oc1c(I)cc(Cl)c2cccnc12 229269091 ULDNSLRNRIPDMQ-LJUAHTATSA-N 468.516 4.422 50 10 JIGE CN([C@H]1CCCC[C@H]1Br)S(=O)(=O)c1cc(Cl)c(Br)s1 252936338 XSDKJANRAFBDTQ-APPZFPTMSA-N 451.633 4.491 50 10 JIGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccccc3OC)nnc2-c2ccccc2)cc1 254403508 NNCFJWFFENHDBU-UHFFFAOYSA-N 473.558 4.194 50 10 JIGE CCCCCCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OCC(=O)O)cc1 254815050 AEXUJDPWNCCAJA-UHFFFAOYSA-N 461.603 4.417 50 10 JIGE C[C@@H]1Cc2cc(Br)cc([C@@H](Cl)c3cnn(C)c3I)c2O1 720126901 VNHWLAALYHVVEF-JMCQJSRRSA-N 467.532 4.439 50 10 JIGE CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)NNC(=O)COc1cc(C)ccc1C(C)C)O[C@H](C)C2 730468631 CSKVKMOFMRGHBK-AGHHOFFYSA-N 466.578 4.170 50 10 JIGE COc1cc(OC)cc(C(=O)Oc2ccc(C=NNC(=O)c3ccc4ccccc4n3)cc2OC)c1 916242765 BOTVELRTWFCAPP-UHFFFAOYSA-N 485.496 4.244 50 10 JIGE N#Cc1ccccc1COc1ccc(C=NNC(=O)Cc2ccccc2)cc1I 1083995622 HRWUDFSTJHTTKV-UHFFFAOYSA-N 495.320 4.435 50 10 JIGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCC#N 1084533752 ZEPUSPALLPXVFW-XMHGGMMESA-N 495.377 4.006 50 10 JIGE COC(=O)c1ccccc1N(C)C(=O)c1oc2c(c1C)C(=NNC(=O)c1ccccc1C)CCC2 1772743784 KVJIBWRMWIFPRK-UHFFFAOYSA-N 473.529 4.430 50 10 JIGE CCC(=O)c1ccc2c(c1)N(Oc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H](C)O2 1858695842 YJMXEYYPPVPOIO-CQSZACIVSA-N 492.444 4.301 50 10 JIGE CCCc1nn(-c2ccccn2)c2c1[C@@H](c1cc(Br)c(O)c(OCC)c1)C(C#N)=C(N)O2 1865687904 CVFYLDSVZULKBT-IBGZPJMESA-N 496.365 4.305 50 10 JIGE CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1cc(Br)cc(OC)c1O)C(C#N)=C(N)O2 1865696865 SJOXOUHSDJUTCI-LJQANCHMSA-N 499.340 4.328 50 10 JIGE CCOc1cc(/C=N/NC(=O)[C@@H](N)Cc2ccccc2)ccc1OCc1ccccc1Cl 1873793174 AKMFMGOFGPPMTC-MGZHSMRGSA-N 451.954 4.338 50 10 JIGE CC(C)(C)OC(=O)N[C@H](CBr)[C@@H]1C[C@H]2CC[C@@H]([C@H]1F)N2C(=O)OC(C)(C)C 1883028261 HRXZEXCUHWYKBI-SEBNEYGDSA-N 451.377 4.401 50 10 JIGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1C[C@@H](Br)C1 1888778963 NBNAIKSDGMOFHG-LRAJWGHMSA-N 457.368 4.346 50 10 JIGE Cc1ccc(Br)c(F)c1C[C@@H](Br)CN1C(=O)c2ccccc2C1=O 1905436485 ATRNOSKOJRBURO-LLVKDONJSA-N 455.121 4.499 50 10 JIGE CC[C@@H](CBr)CNC(=O)c1cc(Br)ccc1I 1948706953 RVUMBQOIJREOCA-QMMMGPOBSA-N 474.962 4.205 50 10 JIGE CC(C)(C)OC(=O)N1C[C@H](Br)[C@H](OCc2cc(F)ccc2Br)C1 1994979827 BFENKZAHZFVWSE-UONOGXRCSA-N 453.146 4.488 50 10 JIGE CCOc1cc(OC(F)(F)F)c(C(=O)CBr)cc1I 2055082113 HPQVGQUWANOKMD-UHFFFAOYSA-N 452.992 4.166 50 10 JIGE O=C(CCl)c1cc(I)c(C(F)F)c(I)c1 2060389509 SHHUAMZDQRPFFO-UHFFFAOYSA-N 456.395 4.255 50 10 JIGE BrC[C@@H]1C[C@H]2OCC[C@H]2N1Cc1cccc(Br)c1Br 2092331907 ZHWXIVIFLTXLLI-CYZMBNFOSA-N 454.000 4.338 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CC[C@H](Cl)CC12CC2 2113587557 XXQKULMSUMDMIJ-JTQLQIEISA-N 454.533 4.430 50 10 JIGE CCN(C[C@](C)(CI)OCCn1c(C)nc(C)c1C)C(=O)OC(C)(C)C 2128021048 GUYTVLHMZZLOGE-IBGZPJMESA-N 479.403 4.276 50 10 JIGE O=C(NC[C@@H](CCl)C(F)(F)F)c1ccc(Br)cc1I 2142284937 JOYPRKKWVHCMMJ-ZCFIWIBFSA-N 470.454 4.201 50 10 JIGE Cn1nc([C@@H](Br)c2cc3c(cc2Br)OCCO3)cc1Br 2150478162 HDLVXNVPSIAOFQ-ZDUSSCGKSA-N 466.955 4.201 50 10 JIGE O=S(=O)(c1ccsc1CBr)N1CC[C@@]2(CCCN(Cc3ccccc3)C2)C1 2179869528 ZADFRQUPPUMHHY-HXUWFJFHSA-N 469.470 4.320 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N[C@@H]1CC[C@H]2C[C@]21CBr 2295313729 OBXYMEPKUWRNHW-ZBINZKHDSA-N 466.011 4.434 50 10 JIGE CC(C)Cc1ccc(-c2csc(C(C#N)=CNc3ccc(S(=O)(=O)NC(=N)N)cc3)n2)cc1 2297461621 OYLGLNBWWDLMRW-UHFFFAOYSA-N 480.619 4.157 50 10 JIGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(C(=O)OC)cc2)sc2c1CC[C@@H](C)C2 2314571774 LTEUASDGTSPDKV-CQSZACIVSA-N 452.532 4.382 50 10 JIGE COCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cc(C)ccc2C)C(C)=C(C#N)C1=O 2314618140 HYASGKCVQSMTOK-UHFFFAOYSA-N 466.541 4.395 50 10 JIGE CCCOc1ccccc1C=C(C#N)C(=O)OCCCN1C(=O)c2ccc(Br)cc2C1=O 2314773790 BKQWWQYQIUOZFA-UHFFFAOYSA-N 497.345 4.374 50 10 JIGE CC(=O)Nc1ccc(NC(=O)C(C#N)=CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 2324169609 MQVPGKDKLBAEAE-UHFFFAOYSA-N 479.584 4.398 50 10 JIGE Cc1cc(I)ccc1NC(=O)C(C#N)=CNc1ccc(N)cc1Cl 2325406155 HBELQPOMNKFNKL-UHFFFAOYSA-N 452.683 4.293 50 10 JIGE CN(Cc1c(Br)cccc1Br)S(=O)(=O)[C@H](CBr)C1CC1 2366217850 VESSEZUMZHBNLF-CYBMUJFWSA-N 490.055 4.147 50 10 JIGE CC[C@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(-c3ccccc3)cc2)c1 10672088 INPBEZLOOAZFFE-SFHVURJKSA-N 477.586 4.245 50 10 JIGE CC(C)(C)c1ccc(C(=O)NNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1Br 12492881 RUOVIGVCNSKJKM-UHFFFAOYSA-N 454.708 4.383 50 10 JIGE CCCOc1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)cc1Br 14647270 NXEBIWWJPZDVPU-UHFFFAOYSA-N 476.154 4.385 50 10 JIGE COc1ccc(C(=O)NNC(=O)c2ccc(OC(C)C)c(Br)c2)cc1Br 14658840 YWYCMMYVCCKMJL-UHFFFAOYSA-N 486.160 4.082 50 10 JIGE Cc1cc(OCC(=O)NNC(=O)c2cc(Br)ccc2OC(C)C)cc(C)c1Cl 14667918 FBHUNVFMYDPGIH-UHFFFAOYSA-N 469.763 4.347 50 10 JIGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc([N+](=O)[O-])c2)c1 38653777 SZIOZGQSBXLGNS-XMMPIXPASA-N 457.442 4.106 50 10 JIGE CC[C@@H](Br)CCNC(=O)c1cc(Br)ccc1I 233853313 RSMKZHFUNMCWAH-MRVPVSSYSA-N 474.962 4.347 50 10 JIGE Cn1c(SCC(=O)NN=Cc2ccccc2OCc2ccccc2)nnc1-c1ccccc1 254570868 MAJZEWKBZULHFZ-UHFFFAOYSA-N 457.559 4.304 50 10 JIGE CCOc1cc(C=NNC(=O)COc2ccc(C)cc2)ccc1OC(=O)c1ccc(OC)cc1 254847900 AVCQINSXEBQVII-UHFFFAOYSA-N 462.502 4.151 50 10 JIGE Cn1c(=O)n(C)c2cc([C@@H](Br)c3sccc3I)ccc21 312304793 AJMBBDAHUZUBBZ-GFCCVEGCSA-N 463.138 4.027 50 10 JIGE COc1ccc([C@H](Br)c2cnn(C)c2Br)c(OC)c1Br 381792506 NUVUMKKJBBKRMQ-JTQLQIEISA-N 468.971 4.447 50 10 JIGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2ccc([N+](=O)[O-])s2)C1 382730504 UDXWECNIZJHLNR-ZIAGYGMSSA-N 472.304 4.444 50 10 JIGE N#CCCn1cc(/C=C(\C#N)C(=O)Nc2cnn(Cc3ccccn3)c2)c(-c2ccc(Cl)cc2)n1 749862219 FCPQNUOYJGNWAG-XDHOZWIPSA-N 482.935 4.303 50 10 JIGE Cc1ccc(-c2noc(COC(=O)/C(C#N)=C\c3cn(CCC#N)nc3-c3ccccc3)n2)cc1 761380842 DBGIKZDOSVBXNX-STZFKDTASA-N 464.485 4.473 50 10 JIGE O=C(CSc1nnc(CNc2ccccc2)n1-c1ccccc1)NN=Cc1ccc(F)c(F)c1 1083908883 PVXFCCGXKMFBQI-UHFFFAOYSA-N 478.528 4.400 50 10 JIGE O=C(CSC1=N[C@H](c2ccccc2)[C@@H](c2ccccc2)N=N1)NN=C1C(=O)Nc2ccccc21 1088679642 CQBVTCNJSXVPKY-FGZHOGPDSA-N 468.542 4.497 50 10 JIGE CC(=O)c1ccc(C(=O)NNc2ccc(S(=O)(=O)c3ccc(C(C)C)cc3)cc2)cc1O 1648430488 WITYLDBFMOUPPH-UHFFFAOYSA-N 452.532 4.308 50 10 JIGE COC[C@H](C)NC(=O)c1oc2c(c1C)C(=NNC(=O)Cc1coc3cc(C)cc(C)c13)CCC2 1772751725 KZTVYHKRYXRKJS-INIZCTEOSA-N 465.550 4.115 50 10 JIGE CS(=O)(=O)Cc1ccc(C(=O)NCc2ccc(OC(=O)Nc3ccc(SC#N)cc3)cc2)cc1 1858910218 YRUWCQXMBFFWMD-UHFFFAOYSA-N 495.582 4.345 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Br)cc2)[C@H]1c1ccc[nH]1 1865709880 JIFSEIICHKDLOP-CYBMUJFWSA-N 450.218 4.200 50 10 JIGE COc1cccc(/C=N/NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)c1OCc1ccccc1F 1873794849 DPGPMMAKIWSYLE-IYAOEYEUSA-N 471.529 4.263 50 10 JIGE Brc1cc(I)cnc1N1C[C@H](Br)C2(CCC2)C1 2015756586 IEMZXCRQJZZNKF-JTQLQIEISA-N 471.962 4.203 50 10 JIGE CC[C@H]1SC(=C(C#N)C(=O)NCc2ccccc2)N(c2ccc(Br)cc2)C1=O 2040491107 UNUCMOGSPSZWTG-GOSISDBHSA-N 456.365 4.359 50 10 JIGE O=S(=O)(NC[C@@H](CBr)C(F)(F)F)c1cc(Cl)c(Br)s1 2105268186 KKALETJWQADFIQ-SCSAIBSYSA-N 465.538 4.016 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCNc1cc(C(=O)O)c(N)cc1Br 2125301860 LOLXDPZIAKAHMO-UHFFFAOYSA-N 466.423 4.048 50 10 JIGE FC(F)(F)[C@@]1(CCl)CCN(c2ncc(I)cc2Br)C1 2133370561 BVNHMEXPNSAJGE-SNVBAGLBSA-N 469.470 4.446 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CC[C@@H]2[C@@H](CBr)[C@@H]2C1 2142279752 URXSJDRPYCZLQB-YUSALJHKSA-N 498.984 4.157 50 10 JIGE CC1(C)CN(Cc2ccccc2)CCN1S(=O)(=O)c1ccc(Br)c(CCl)c1 2159735903 FDMNNKJTXMWSEY-UHFFFAOYSA-N 471.848 4.473 50 10 JIGE O=C(c1cc(Br)c(Br)s1)N1C[C@H](CBr)OC2(CCC2)C1 2165763334 BBUUBGCMRUYSED-QMMMGPOBSA-N 488.039 4.432 50 10 JIGE CCN(C[C@@](C)(CI)OC1(C(C)(C)C)COC1)C(=O)OC(C)(C)C 2250812052 BZJVTYGWOXJPKK-QGZVFWFLSA-N 455.377 4.269 50 10 JIGE O=C(c1c(F)cccc1I)N1CC[C@@H]2C[C@@H](Br)CC[C@H]21 2282791685 IRSLCYWWOXSCAK-GBIKHYSHSA-N 452.105 4.208 50 10 JIGE COCCCNC(=O)C(C#N)=Cc1c(Oc2ccc(C(C)(C)C)cc2)nc2c(C)cccn2c1=O 2296719356 HLMZVGDJXSAKAN-UHFFFAOYSA-N 474.561 4.152 50 10 JIGE CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](n2cnc3c(N)ncnc32)O[C@@H](CO)[C@H]1O[Si](C)(C)C(C)(C)C 2297748821 GAMKBDYUNFPWRM-FORWCCJISA-N 495.773 4.079 50 10 JIGE CC(=O)OCCN1C(=O)C(=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(C)=C(C#N)C1=O 2314620777 UXDVOASRIIEIQD-UHFFFAOYSA-N 459.285 4.409 50 10 JIGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)CCc1ccc(C(C)(C)C)cc1 2314795946 HHSDJYQUHNNQHZ-UHFFFAOYSA-N 476.573 4.297 50 10 JIGE CCOC(=O)c1cnn(-c2cc(C)c3cccc(OC)c3n2)c1NC(=O)C(C#N)=Cc1ccccc1 2318453728 UKJDPSKUHHCXJD-UHFFFAOYSA-N 481.512 4.460 50 10 JIGE COc1ccc(C(C#N)=Cc2ccc(OC(=O)CNC(=O)c3ccccc3)c(OC)c2)cc1OC 2320506137 CIAOKOHFLMGDEB-UHFFFAOYSA-N 472.497 4.112 50 10 JIGE Cc1ccc(-c2csc(C(C#N)=C(O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)c(C)c1 2331310997 CHGSBIOTQPPNJN-UHFFFAOYSA-N 460.471 4.424 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CC[C@@H](Br)[C@H]2CC[C@H]21 2331943770 KUTAGVFTNXIKSH-GIPNMCIBSA-N 498.984 4.442 50 10 JIGE Clc1ccc(CN2CCO[C@@H]3C[C@H](Br)C[C@H]32)cc1I 2337219886 XRSJDIGWUBEKJS-LERXQTSPSA-N 456.549 4.071 50 10 JIGE FC(F)(F)c1cnc(N2[C@H]3CC[C@@H]2C[C@H]3CBr)c(I)c1 2354254381 JPHXYBVQLVQHJV-NMLBEHRDSA-N 461.063 4.457 50 10 JIGE Cc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)NCc3ccco3)N(c3ccc(F)cc3)C2=O)cc1 1889014 CSFQXYDQRYEONH-FNBPXTNNSA-N 461.518 4.470 50 10 JIGE CCOC(=O)c1nn(-c2ccc(C(F)(F)F)cc2)c(=O)c2c(NC(=O)[C@H](C)Cl)scc12 9277670 XKLNRZVUOBMZPO-VIFPVBQESA-N 473.860 4.209 50 10 JIGE COc1ccc(OC)c(/C=N/NC(=O)c2ccc(CSc3ncccn3)cc2)c1Br 20247746 LLEHVGXGPQJMDI-BRJLIKDPSA-N 487.379 4.313 50 10 JIGE COc1ccc(Br)cc1/C=N/NC(=O)[C@@H](C)Oc1ccccc1Br 20311282 CKEMNMLGVLQOKM-JZOCJUILSA-N 456.134 4.138 50 10 JIGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccc(C(=O)O)cc3)cc2)cc1 58893719 HDEXYYNIGBWEGR-YNAQZEJMSA-N 476.529 4.326 50 10 JIGE O=C(N/N=C/c1cccc(Cl)c1Cl)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 59391179 IRSSKKBFMQZQQY-AMLNBPPMSA-N 455.139 4.259 50 10 JIGE CC(=O)N1CCc2cc(Br)cc(NC(=O)NC[C@@]3(C)C[C@H](N=C=O)CC(C)(C)C3)c21 170290034 AONHFKPUTMZTFC-VGSWGCGISA-N 477.403 4.400 50 10 JIGE O=C(NCCCCCI)c1ccc(I)c(Cl)c1 229229890 GSRNJARWFRCSCR-UHFFFAOYSA-N 477.511 4.280 50 10 JIGE O=S(=O)(NCCCCCCBr)c1cc(Br)ccc1Br 232474522 SQGWXMCIFWFMRI-UHFFFAOYSA-N 478.044 4.445 50 10 JIGE COc1ccc(C=NNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1CN1CCCc2ccccc21 254606135 LELTYQORRQGLIH-UHFFFAOYSA-N 489.572 4.438 50 10 JIGE C[C@]1(CBr)CCN(C(=O)c2cc(I)ccc2Br)C1 381470974 LDPZEHSWVBOYDH-CYBMUJFWSA-N 486.973 4.301 50 10 JIGE Cc1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)cc1O 382680377 BVFYZAMXJHUODP-MSOLQXFVSA-N 451.304 4.488 50 10 JIGE CN1C[C@@H](CBr)[C@H](c2cc(Br)ccc2I)C1 382735189 WPSVTOUBASJVCI-LDYMZIIASA-N 458.963 4.094 50 10 JIGE COc1ccc([C@H](Br)c2nn(C)cc2Br)c(OC)c1Br 693044349 OMBOQMGMVITYAM-JTQLQIEISA-N 468.971 4.447 50 10 JIGE C[C@@H](CBr)[C@@H]1CCCCN1C(=O)c1ccc(I)c(O)c1 696715768 ZKKVZUZBFDNLOX-GWCFXTLKSA-N 452.130 4.023 50 10 JIGE O=C(NC[C@H]1CCC[C@H](CBr)C1)c1cccc(F)c1I 721672650 OJWDKSRODOBMRM-QWRGUYRKSA-N 454.121 4.361 50 10 JIGE CC[C@H](CNC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1)N1CCc2ccccc2C1 914764212 BVRUUAIRRCEIMY-ABBNRAPFSA-N 478.600 4.324 50 10 JIGE O=C(COc1ccc(Br)cc1Br)NN=Cc1ccc(Cl)c([N+](=O)[O-])c1 1084097023 TXXJMQZYYFKJQR-UHFFFAOYSA-N 491.523 4.302 50 10 JIGE Br[C@@H]1C[C@H]1CNc1cc(I)cc(I)c1 1877437712 SPOBXXSCSDTHQD-QUBYGPBYSA-N 477.909 4.091 50 10 JIGE O=S1(=O)CCC[C@@H]([C@H](Br)c2cc(Br)ccc2Br)C1 2029373183 ASXJECGDBLMVNS-PELKAZGASA-N 461.013 4.472 50 10 JIGE O=C(Cl)c1cc(I)cc(I)c1C(F)(F)F 2060039941 LHYMZOJOSJOLEW-UHFFFAOYSA-N 460.358 4.294 50 10 JIGE CC1([C@H](CBr)NC(=O)c2ccc(Br)cc2I)CC1 2086146317 YEIHFRWDUCAUAU-NSHDSACASA-N 486.973 4.347 50 10 JIGE O=C(NC[C@@H]1CC12CCC(Br)CC2)c1sccc1I 2101288588 KQFGICBOYXKWML-IPWFMCSPSA-N 454.171 4.426 50 10 JIGE CC[C@@H](C)[C@@H](CI)NS(=O)(=O)c1ccc(Cl)c(Br)c1 2136493084 YEAQUPUUJMCDCV-PRHODGIISA-N 480.593 4.231 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@@H]([S@@](C)(=O)=NC(=O)c2ccc(CBr)cc2)C1 2162872917 PAEKAGPXEMBNHP-CHAGWJKLSA-N 459.406 4.219 50 10 JIGE O=C(c1cccc(F)c1I)N1[C@H](CBr)C[C@@H]2CCC[C@@H]21 2164655445 GCBKCHXHHRFXRX-KWBADKCTSA-N 452.105 4.208 50 10 JIGE O=C(NC[C@@]1(CBr)CC12CCC2)c1cc(I)ccc1F 2169663748 JKZIOUNKJZNJMJ-HNNXBMFYSA-N 452.105 4.115 50 10 JIGE CN([C@@H]1CC[C@H]1OCc1ccccc1)S(=O)(=O)c1ccc(F)c(CBr)c1F 2179861212 DROCOAGYDWECOO-IAGOWNOFSA-N 460.340 4.228 50 10 JIGE C[C@H]1[C@H](Br)C[C@@H](C)CN1S(=O)(=O)c1cc(Br)ccc1Br 2235876225 LZHUNTDFCHAWEG-VDDIYKPWSA-N 490.055 4.394 50 10 JIGE CC(C)(C)OC(=O)N1C[C@H](OCc2ccc(Br)cc2F)[C@H](Br)C1 2243291520 ZICWWXNKBMBHTB-OCCSQVGLSA-N 453.146 4.488 50 10 JIGE CC(C)(C)OC(=O)N1CCC(CI)(OC2(C(C)(C)C)COC2)CC1 2250825468 AQMGJFUIUMBABE-UHFFFAOYSA-N 453.361 4.023 50 10 JIGE C[C@@H]1C[C@@H]1N(CCBr)C(=O)Cc1cc(Br)cc(Br)c1 2277924880 JFZLPDNCDSFUTO-RNCFNFMXSA-N 454.000 4.386 50 10 JIGE O=C(c1c(F)cccc1I)N1C[C@H]2[C@@H](Br)CCC[C@H]2C1 2282792055 MFBVTOLZBRMLEZ-AXFHLTTASA-N 452.105 4.066 50 10 JIGE O=S(=O)(N[C@H](CCBr)COCc1ccccc1)c1ccccc1Br 2303540782 UQRFMPGACRSNIS-OAHLLOKOSA-N 477.218 4.098 50 10 JIGE COc1ccc(CCN2C(=O)C(=CNc3ccc([N+](=O)[O-])cc3Cl)C(C)=C(C#N)C2=O)cc1OC 2314585889 ZVDXFHYDLVGCCP-UHFFFAOYSA-N 496.907 4.013 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CCCC[C@H]1OCc1ccccc1 2325069252 BTNGYSFCWDQNPL-XXBNENTESA-N 484.684 4.465 50 10 JIGE O=C(N[C@H]1C[C@@H]2C[C@H]1C[C@H]2Br)c1ccc(Cl)c(I)c1 2334379760 KUIZOUVJXDKHLR-XHSYRHOGSA-N 454.533 4.236 50 10 JIGE BrCCCN(c1ncc(Br)cc1Br)C1CCOCC1 2353067158 UPVBHXXMMDTIGE-UHFFFAOYSA-N 457.004 4.377 50 10 JIGE COC(=O)[C@@H](Br)C1(OCc2cc(I)ccc2Cl)CCC1 2380360958 LLIVNCTWNZBTDS-GFCCVEGCSA-N 473.532 4.320 50 10 JIGE CC(C)c1ccc(C(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 10453107 ALQGNNOPWOIVTR-GFCCVEGCSA-N 454.379 4.220 50 10 JIGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccccc2Cl)cc1 14026853 MBDJAOJVXAJGMO-MRXNPFEDSA-N 451.910 4.129 50 10 JIGE COc1ccc([C@H]2c3ccsc3CCN2C(=O)CN(C(=O)C(C)(C)CCl)C2CC2)cc1 16506860 BVKRQGCVTLWIMI-QFIPXVFZSA-N 461.027 4.487 50 10 JIGE COc1cc(/C=C(/C#N)c2nc(O)c3ccc(C)cc3n2)ccc1OCC(=O)Nc1nccs1 35520030 GCGLYZWWPJBBPA-YBEGLDIGSA-N 473.514 4.191 50 10 JIGE Cc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)NNC(=O)c4ccccc4Cl)c(C)c32)c1 101593257 IFOKXRUMYKIFCG-ZXVVBBHZSA-N 478.936 4.095 50 10 JIGE O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1cccc(N2NC(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 109284072 YTSOOEVBOMTWSO-CABCVRRESA-N 479.751 4.364 50 10 JIGE Cc1cc(S(=O)(=O)N[C@@](C)(CBr)c2ccccc2)sc1Br 134452466 OATDZCVGMOYQMT-AWEZNQCLSA-N 453.221 4.408 50 10 JIGE COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OC(=O)c1ccccc1[N+](=O)[O-] 206394811 ZIBPBHYSWOJIIE-UYRXBGFRSA-N 457.442 4.046 50 10 JIGE COC(=O)c1ccccc1NC(=O)/C(C#N)=C\N1CCN(C(c2ccccc2)c2ccccc2)CC1 217224731 DPXFHBOUZVKWDO-FLFQWRMESA-N 480.568 4.226 50 10 JIGE COC(=O)c1ccc([C@@H]2Nc3ccc(C(C)=NNC(=O)CC4(C)OCCO4)cc3[C@H]3C=CC[C@@H]32)cc1 254317348 KCHMRVKCPNKWDT-MCEYFSPLSA-N 489.572 4.293 50 10 JIGE O=C(NC[C@@H]1CCC[C@H](CBr)C1)c1ccc(F)cc1I 380425488 YMEZCOOQTYXZQX-WDEREUQCSA-N 454.121 4.361 50 10 JIGE C[C@@H]1C[C@H](CBr)CN(C(=O)c2cc(Cl)ccc2I)C1 398796031 LFISWNITIQBSBZ-NXEZZACHSA-N 456.549 4.438 50 10 JIGE CCS(=O)(=O)Nc1ccc(C(C)=NNC(=O)c2ccccc2OCc2ccc(F)cc2)cc1 729633220 LMIMKWZYNCELKX-UHFFFAOYSA-N 469.538 4.320 50 10 JIGE CC1CCN(C[C@@H]2CCCN(C(=O)/C(C#N)=C/c3cn(CCC#N)nc3-c3ccccc3)C2)CC1 748223487 HFTRSOOKOOYRJA-VAHWYXDJSA-N 470.621 4.341 50 10 JIGE C#CC[C@@]1(C(=O)NNc2c(Cl)cccc2Br)CCCN1C(=O)OC(C)(C)C 1641713263 PGVCGLPFXMMUGL-IBGZPJMESA-N 456.768 4.339 50 10 JIGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@H](c2ccccn2)C(C#N)=C(N)O3)cc1 1865699681 ABEHZEAIQFPYLR-QFIPXVFZSA-N 451.486 4.170 50 10 JIGE O=C(c1cc(Br)cc(Br)c1)N1C[C@@H](Br)[C@H](Br)C1 1910006313 BNNWNVJHVUEBBA-NXEZZACHSA-N 490.815 4.194 50 10 JIGE O=C(c1cc(Br)c(Br)s1)N1C[C@H](Br)C[C@@]2(CCCO2)C1 1924250358 KSCOFZWNKBCXFX-OQPBUACISA-N 488.039 4.432 50 10 JIGE CCC(CC)(CBr)CN=[S@](C)(=O)N1CCCN(C(=O)OC(C)(C)C)CC1 2107390173 JRSOSRZESCCNHR-SANMLTNESA-N 454.475 4.143 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1CC[C@H](Br)[C@H]2CC[C@H]21 2133721213 BSLBZAPVAHKXBM-GBIKHYSHSA-N 454.533 4.333 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CC[C@H](Cl)[C@H]2CC[C@H]21 2133722794 LIVDWNHFFPBDMN-SUZMYJTESA-N 454.533 4.286 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1CC[C@H](CBr)C12CC2 2133831625 ODEDHHJRNNEBAU-SNVBAGLBSA-N 454.533 4.334 50 10 JIGE COCCOCCN(Cc1ccccc1)S(=O)(=O)c1ccc(CCl)cc1Br 2152213080 KSXLKUYAJNYTAF-UHFFFAOYSA-N 476.820 4.042 50 10 JIGE Cc1sc(CBr)cc1S(=O)(=O)N1CC[C@H]2CC[C@@H](C1)N2Cc1ccccc1 2179816603 KZAPXTYXGKZVDP-MSOLQXFVSA-N 469.470 4.379 50 10 JIGE CN(CC1CC(Br)C1)C(=O)[C@H](NC(=O)OC(C)(C)C)C1CCC(F)(F)CC1 2196914353 MRXOZMSSVBYNBZ-PESDSKBTSA-N 453.368 4.337 50 10 JIGE C[C@H](CBr)[C@H]1CCCCN1C(=O)c1c(F)cccc1I 2282793245 YTEDHVZFJGGHIR-ZWNOBZJWSA-N 454.121 4.456 50 10 JIGE CCN(C[C@](C)(CI)OC[C@@H]1COC2(C)CC1C2)C(=O)OC(C)(C)C 2317960309 TWWZFBYAWUIFIX-ZVKBKPGUSA-N 467.388 4.269 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CC[C@@H]2[C@H](C1)[C@@H]2CBr 2333117887 SZYCNDYRGYEEOC-WCQGTBRESA-N 498.984 4.157 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@@]2(CBr)CC[C@H]1C2 2336480221 MQQBYMIRADDDPX-HZMBPMFUSA-N 498.984 4.443 50 10 JIGE C[C@H]1C[C@H](CBr)CN(C(=O)c2ccc(Cl)cc2I)C1 2340056150 CXUBVJSLUCZLOS-VHSXEESVSA-N 456.549 4.438 50 10 JIGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CC[C@@H]2CC[C@H](Br)[C@H]1C2 2355744172 HSMZEGXHMOXKCZ-OYNCUSHFSA-N 463.644 4.491 50 10 JIGE Cn1nc(Br)c(Br)c1C(=O)Nc1cccc(CCBr)c1 2364012549 CVSOYIYPUYIFEE-UHFFFAOYSA-N 465.971 4.135 50 10 JIGE Cl[C@@H]1CN(Cc2ccc(I)c(Br)c2)C[C@]2(CCCO2)C1 2377340710 VIUJNDLHCDPXIW-WFASDCNBSA-N 470.576 4.416 50 10 JIGE O=C(COC(=O)/C(=C\c1cccs1)c1cccs1)NNC(=O)c1ccc(Br)cc1 3360678 DEZPNMPQOATYAS-WJDWOHSUSA-N 491.388 4.117 50 10 JIGE O=C(COc1ccc(-c2ccccc2)cc1)NNC(=S)NC(=O)c1ccc(Cl)cc1Cl 13982090 NNUWLRMOENTQTD-UHFFFAOYSA-N 474.369 4.375 50 10 JIGE CC(C)COc1ccc(C(=O)NNC(=O)CCC(=O)Nc2ccccc2Cl)cc1Br 14653015 YJGUTAVODFIXNI-UHFFFAOYSA-N 496.789 4.317 50 10 JIGE Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)NNC(=O)COc1ccccc1Cc1ccccc1 14841616 UEGALYBEZBKNSE-UHFFFAOYSA-N 492.938 4.404 50 10 JIGE COc1cccc(CN2c3ccccc3C3=C([C@H](c4ccc(F)cc4)C(C#N)=C(N)O3)S2(=O)=O)c1 20558735 NXXZFOYKMPIFNL-HSZRJFAPSA-N 489.528 4.361 50 10 JIGE CC(C)(CCl)C(=O)N1CCCN(c2nc(C3CCOCC3)nc3c2cnn3-c2ccccc2)CC1 35926028 LDWYGQXEAYNDDI-UHFFFAOYSA-N 497.043 4.013 50 10 JIGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccccc3F)c(OC)c2)C1=O 38606629 KENPYRXCKJRCJR-KGENOOAVSA-N 478.520 4.432 50 10 JIGE Cc1ccc(NC(=O)CN2C(=O)/C(=N\NC(=O)c3cc(F)c(F)cc3Cl)c3ccccc32)cc1 59161102 YAFLUJWFVWEHSM-IADYIPOJSA-N 482.874 4.046 50 10 JIGE O=C(NCCCCI)c1ccc(Br)cc1Br 232458860 UEGAOLCZBITZMV-UHFFFAOYSA-N 460.935 4.157 50 10 JIGE O=C(NN=Cc1ccc(OC(=O)c2ccccc2)cc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 254790603 BOQIPTWQEUFTKW-UHFFFAOYSA-N 499.548 4.471 50 10 JIGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(C)o3)n2-c2ccc(C)cc2)cc1 254794699 JIHGEEYZJRWJOS-UHFFFAOYSA-N 461.547 4.395 50 10 JIGE COc1ccc(Br)cc1[C@@H](Br)c1cnn(C)c1I 379222606 USMDKCGTHFTTAJ-LLVKDONJSA-N 485.945 4.280 50 10 JIGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@@H](c2ccc([N+](=O)[O-])s2)C1 382730499 UDXWECNIZJHLNR-KBPBESRZSA-N 472.304 4.444 50 10 JIGE FC(F)(F)Oc1cc(I)nc(Br)c1CBr 396182947 QVKMFSYFNQCCOB-UHFFFAOYSA-N 460.813 4.242 50 10 JIGE C[C@@H](CBr)[C@H]1CCCCN1C(=O)c1ccc(F)cc1I 696708296 CSHCEWDBLNTBBG-IINYFYTJSA-N 454.121 4.456 50 10 JIGE O=C(NNC(=O)[C@H]1C[C@@H]1c1cccc2ccccc12)c1ccccc1NS(=O)(=O)c1cccs1 730769021 CUUNWJWOYJPBML-RTWAWAEBSA-N 491.594 4.267 50 10 JIGE C=CCN(C(=O)/C(C#N)=C/c1cc(C)n(C[C@H]2CCCO2)c1C)c1nc(C(=O)OCC)cs1 749127399 FHCHUIGCMWXSJM-QDDTUJKSSA-N 468.579 4.043 50 10 JIGE CN(Cc1nccn1C(F)F)C(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1 914606615 GJZFJOQMEXFOMW-WJDWOHSUSA-N 469.883 4.274 50 10 JIGE COc1ccc(/C=N/NC(=O)CCc2nc3ccccc3[nH]c2=O)cc1OCc1ccccc1Cl 1873496265 KKVSFEDBWXJZFS-RWPZCVJISA-N 490.947 4.247 50 10 JIGE CCn1nc(C)c(Br)c1CN(C)C[C@@H](Br)COCc1ccccc1 1916366556 KRSVYQCZCKOLPB-MRXNPFEDSA-N 459.226 4.386 50 10 JIGE CCN(C[C@@](C)(CI)OCCOC1CCCC1)C(=O)OC(C)(C)C 1940266648 GUICTUZJAZUVEF-GOSISDBHSA-N 455.377 4.413 50 10 JIGE N#CC(=CC1=C(N2CCOCC2)C(=Cc2cccc([N+](=O)[O-])c2)CC1)c1nnc2n1CCCCC2 2059862256 MUPPMFXUHQZHLT-UHFFFAOYSA-N 472.549 4.283 50 10 JIGE CCn1cnnc1COc1c(Br)cc(Br)cc1CBr 2097368724 FWNAPHKZZFWILP-UHFFFAOYSA-N 453.960 4.297 50 10 JIGE CC(C)[C@@H](Br)[C@H](C)NS(=O)(=O)c1cc(Br)ccc1Br 2103004891 JMUYFPIBSILHES-QPUJVOFHSA-N 478.044 4.298 50 10 JIGE O=S(=O)(C[C@H](Br)c1c(Br)cccc1Br)N1CCCCC1 2150503175 JJXRUCVWTQBSEQ-LBPRGKRZSA-N 490.055 4.463 50 10 JIGE C[C@H]1CN(Cc2ccccc2)C[C@H](C)N(S(=O)(=O)C2CCC(CBr)CC2)C1 2179834595 KRZOQLIHENBGQT-DENAFPEJSA-N 457.478 4.112 50 10 JIGE O=C(c1ccc(F)cc1I)N1CC2(CCC(Br)CC2)C1 2181086391 LHSQCVSEZCDMJH-UHFFFAOYSA-N 452.105 4.210 50 10 JIGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CC[C@H](C(F)(F)CBr)C1 2197758992 JBDNXJUBDGVMGV-LURJTMIESA-N 473.586 4.205 50 10 JIGE O=S(=O)(c1cc(CBr)sc1Br)N1CC(SC(F)(F)F)C1 2237485705 DOVNIHOMSXMCFC-UHFFFAOYSA-N 475.171 4.031 50 10 JIGE O=C(c1c(F)cccc1I)N1CC2(CCC2)C[C@H]1CBr 2282811241 YHIQLAMMMGWRIB-JTQLQIEISA-N 452.105 4.210 50 10 JIGE COc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCC(=O)O 2294171854 DFVNIMWGAXZAFN-UHFFFAOYSA-N 465.687 4.120 50 10 JIGE N#CC(C(=O)N1CCOCC1)=C1S[C@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1 2296506856 ILMRSVSVDJWYSB-LJQANCHMSA-N 488.396 4.278 50 10 JIGE Brc1cc(CN2C[C@H]3C[C@H]2C[C@H]3Br)ccc1I 2306221645 KPMDFOZACHLLRA-OUAUKWLOSA-N 470.974 4.411 50 10 JIGE N#CC(=Cc1cccn1-c1ccc(Br)cc1)C1=NN(c2ccccc2)[C@@H](N)[C@H]1C#N 2313545788 FOQXPDSDGJLLSQ-JTHBVZDNSA-N 457.335 4.448 50 10 JIGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=S)NC(=O)C=Cc2cccc3ccccc23)c1 2313616923 YEIWCBRDYFRAJI-UHFFFAOYSA-N 461.587 4.386 50 10 JIGE O=C(NC[C@@H]1CCC[C@@H]1CBr)c1ccc(Cl)cc1I 2340057041 ZDQHEZHKDUIGBX-ZJUUUORDSA-N 456.549 4.486 50 10 JIGE Cc1cc(OCC(=O)NNC(=O)[C@H](C)Oc2c(C)cc(Br)cc2C)ccc1Cl 14642959 ZBPVPFRZYQHJAK-AWEZNQCLSA-N 469.763 4.021 50 10 JIGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)cc1 38688571 ZQZQCBJGTPOFTA-IZZNHLLZSA-N 482.492 4.215 50 10 JIGE COc1cc(OC)cc(C(=O)NN=C(C)c2ccc(NC(=O)c3ccc(Br)o3)cc2)c1 252598242 CYUUPJPUQZEHAY-UHFFFAOYSA-N 486.322 4.466 50 10 JIGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)c2ccc(O)cc2O)cc1 254516545 GSEFQIOVSIFFHE-UHFFFAOYSA-N 456.454 4.243 50 10 JIGE Cc1cccc(C(=O)N2CCC(F)(F)[C@H](CBr)C2)c1I 403944859 DRGZWNFXOPTHMS-SNVBAGLBSA-N 458.084 4.092 50 10 JIGE C[C@@H]1[C@@H](Br)CCCN1C(=O)c1ccc(I)c(Br)c1 721576339 FLQSVPRVQVSHHR-SCZZXKLOSA-N 486.973 4.442 50 10 JIGE O=C(NC[C@H]1CC[C@H](Br)C1)c1ccc(I)c(Br)c1 721615548 RRQNLWOLVNDEKO-WPRPVWTQSA-N 486.973 4.347 50 10 JIGE CC(CCN1C(=O)c2ccccc2C1=O)=NNC(=O)c1ccccc1OCc1ccc(F)cc1 730946453 WVJCIVRGXPROJN-UHFFFAOYSA-N 459.477 4.197 50 10 JIGE CC(=O)N1C[C@@H](CI)[C@H](c2cc(Br)ccc2Br)C1 1614632793 FJDGGZBQVAZWRO-BXKDBHETSA-N 486.973 4.209 50 10 JIGE O=C(N[C@H](CBr)C(F)(F)F)c1cc(Br)sc1Br 1942836298 HFDONESJYLUOIM-SCSAIBSYSA-N 459.907 4.329 50 10 JIGE C[C@@H]1C[C@H](Br)CCN(c2ncc(I)cc2Br)C1 2015765694 KAGPIUSJOAXCKL-RKDXNWHRSA-N 473.978 4.449 50 10 JIGE CCOC(=O)Cc1c(C(F)(F)F)ccc(CBr)c1I 2055272834 OJFZSQCSXOGDHJ-UHFFFAOYSA-N 451.020 4.311 50 10 JIGE O=C(CBr)c1ccc(C(F)(F)F)c(OC(F)F)c1I 2060377585 SHSJDNDMYQJPLC-UHFFFAOYSA-N 458.946 4.489 50 10 JIGE O=C(N[C@H]1C[C@H]2C[C@H]1C[C@H]2Cl)c1ccc(I)c(Br)c1 2104409481 YEZNDRCAXWLBBK-PFWNZEGQSA-N 454.533 4.189 50 10 JIGE C[C@]12CN(C(=O)c3cc(Br)ccc3I)C[C@@]1(CBr)C2 2109183532 RTPCOIIQARVQBH-KBPBESRZSA-N 498.984 4.301 50 10 JIGE C[C@@H]1CC[C@@H](CBr)N(S(=O)(=O)c2cc(Cl)c(Br)s2)C1 2110613123 RAAMYJVDXZHSDQ-SFYZADRCSA-N 451.633 4.348 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1CC[C@H](Br)[C@@H]1C1CC1 2130612384 RFVFJGBAGATJIE-AAEUAGOBSA-N 454.533 4.333 50 10 JIGE O=C(c1cccc(F)c1I)N1CC[C@@H]2C[C@@H](Br)CC[C@@H]21 2143974319 OJSMSYYFVGTOKQ-NRUUGDAUSA-N 452.105 4.208 50 10 JIGE C[C@@H](Cl)C[C@@H]1CCCCCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2145936017 DAXFEXFHEKFXJE-MSOLQXFVSA-N 455.020 4.045 50 10 JIGE C[C@@H](Br)CN1CCCN(C(=O)c2csc(Br)c2Br)CC1 2176847458 MGVGGTRNYMLRBT-SECBINFHSA-N 489.071 4.204 50 10 JIGE Cc1c(CBr)cccc1S(=O)(=O)N1CCN(Cc2ccccc2)CC1(C)C 2179776525 VLCFVTXIQRPNJY-UHFFFAOYSA-N 451.430 4.175 50 10 JIGE Cc1ccc(I)c(C(=O)NCCCCCCI)c1 2224011984 FRIYQAFXWKCONB-UHFFFAOYSA-N 471.120 4.325 50 10 JIGE O=C(c1csc(Br)c1Br)N1C[C@H]2OCCC[C@]2(CBr)C1 2238798070 VDHMZDWJLPATGA-RNCFNFMXSA-N 488.039 4.289 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)NC[C@]1(F)C[C@@H](CBr)C1 2295308832 BHSHGEZZGVFHPC-WJONMLJTSA-N 471.990 4.384 50 10 JIGE COc1ccc2ccccc2c1C=NNC(=O)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2296664962 KANJPRBGNNAAJC-UHFFFAOYSA-N 493.519 4.498 50 10 JIGE C[C@@H]1CCC[C@@H](COC2(CI)CCN(C(=O)OC(C)(C)C)CC2)O1 2301041008 FAGYRWUSUFKSBR-CABCVRRESA-N 453.361 4.165 50 10 JIGE COc1cccc(C=NNC(=O)COc2ccc3c(C)cc(=O)oc3c2)c1OCc1ccccc1 2328804104 IQQNVMWSPYYPRO-UHFFFAOYSA-N 472.497 4.218 50 10 JIGE O=C(c1cc(Br)ccc1I)N1CC[C@@H](Cl)[C@H]2CC[C@H]21 2331943805 LIVDWNHFFPBDMN-IRUJWGPZSA-N 454.533 4.286 50 10 JIGE O=C(NC[C@H]1CCC[C@@H]1CBr)c1ccc(Cl)cc1I 2340057036 ZDQHEZHKDUIGBX-NXEZZACHSA-N 456.549 4.486 50 10 JIGE CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(C)n(CCc3ccc(OC)cc3)c(=O)c21 2225690 PLEWJQFBGCOXTA-DEOSSOPVSA-N 457.530 4.025 50 10 JIGE CCCCOc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)CCC)cc2)cc1Br 14041271 ATAAFMCHUCXKCZ-UHFFFAOYSA-N 476.371 4.441 50 10 JIGE CCCc1nc(N2CCN(C(=O)C(C)(C)CCl)CC2)c2c(C)nn(-c3ccc(F)cc3)c2n1 37379316 OJXYKZZKJUXBKL-UHFFFAOYSA-N 472.996 4.129 50 10 JIGE Cc1ccc(NC(=O)CN2C(=O)/C(=N/NC(=O)COc3cc(C)ccc3C(C)C)c3ccccc32)cc1 59166894 QOJVRSMKQHUPDS-VEWQFJOQSA-N 498.583 4.311 50 10 JIGE O=C(CSc1n[nH]c(N/N=C/c2c3ccccc3cc3ccccc23)n1)NNC(=O)c1ccccc1 59816524 WNQMUPNGXKFJOY-JFLMPSFJSA-N 495.568 4.110 50 10 JIGE O=C(O)CNc1ccc(C(=O)[C@@H](Br)[C@@H](Br)c2ccc([N+](=O)[O-])cc2)cc1 205191752 WDQAAPPZMCNHDO-HOTGVXAUSA-N 486.116 4.174 50 10 JIGE Cc1cccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)COc2ccccc2[N+](=O)[O-])c1 254393572 JBFYKXVBSKFFQR-UHFFFAOYSA-N 455.474 4.285 50 10 JIGE O=S(=O)(c1cc(CCl)sc1Br)N1CC[C@@H](COCc2ccccc2)C1 383989112 ILWQUSAVTZMKFZ-CQSZACIVSA-N 464.834 4.477 50 10 JIGE FC(F)(F)c1cnc(N2C[C@H]3C[C@H](Br)C[C@H]2C3)c(I)c1 709804005 OJCQTWIFAFDDPB-UJNFCWOMSA-N 461.063 4.457 50 10 JIGE O=C(NN=Cc1cccn1-c1ccccc1)c1cc(Br)c(O)c(Br)c1 1084517824 MPGJISQEUFVRIQ-UHFFFAOYSA-N 463.129 4.472 50 10 JIGE CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)cc1 1084610939 QOQZUWSTPFASRT-KEBDBYFISA-N 473.485 4.435 50 10 JIGE C=CCCC(C)(C)CNC(=O)NNc1ccc(S(=O)(=O)NC2CCCCCCC2)cn1 1684557628 VWMKETWPNOMEDI-UHFFFAOYSA-N 451.637 4.091 50 10 JIGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)CCc3ccccc3)cc2OC)cc1OC 1772720179 HICVABPWCOIRCH-UHFFFAOYSA-N 462.502 4.015 50 10 JIGE Cc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2c1C(=NNC(=O)c1ccccc1F)CCC2 1772744674 ZYCJAMYOTFRAFJ-UHFFFAOYSA-N 463.465 4.221 50 10 JIGE Cc1ccc(C)c(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(O)cc2O)c1 1865681187 HFBNRDKFOVOMMH-SFHVURJKSA-N 456.424 4.196 50 10 JIGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)cc(Br)c1O 1865689644 VERMZMPPFJJDBS-IBGZPJMESA-N 467.323 4.184 50 10 JIGE Cc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865701872 HCNKOOICBWYASE-IBGZPJMESA-N 457.278 4.499 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc(Cl)c2)[C@@H]1c1ccc(C(=O)O)cc1 1865709103 NRLFHMLPMRFTNU-OAHLLOKOSA-N 460.799 4.461 50 10 JIGE N#C/C(=C\c1ccc(F)cc1)C(=O)N[C@H](CC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 1866126997 BWKPCFMPKRDYFM-XSZPGNIMSA-N 486.499 4.094 50 10 JIGE COc1cc(/C=C2\Oc3c(ccc(OC(=O)C(Cl)Cl)c3C)C2=O)cc(OC)c1OC 1871385255 JHCWHWUEOPEERA-AUWJEWJLSA-N 453.274 4.346 50 10 JIGE Cc1cc(=O)oc2cc(OCC(=O)N/N=C/c3c(O)ccc4cc(Br)ccc34)ccc12 1873792836 OUGVWEVFLLWMFC-OPEKNORGSA-N 481.302 4.252 50 10 JIGE O=C(O)C=Cc1cc(Br)c(OC[C@H]2C[C@H]2Br)c(Br)c1 1887908574 SMALKPNCKXTSHG-RKDXNWHRSA-N 454.940 4.472 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@H]2CC[C@]2(CCl)C1 1903983272 JOAAVJMOUXPTSH-YGRLFVJLSA-N 454.533 4.145 50 10 JIGE CN(C)CCCN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(CBr)c1 2123200713 LXVHBBDLDJSQPS-UHFFFAOYSA-N 459.837 4.378 50 10 JIGE CCn1cnnc1CC(CBr)(CBr)c1ccccc1Br 2153668370 ZAPXBXBIAFJQJM-UHFFFAOYSA-N 466.015 4.331 50 10 JIGE O=C(OCc1ccccc1)N1C[C@H]2CC[C@H]1[C@@H](NS(=O)(=O)c1ccc(CBr)cc1)C2 2162591060 HPVNYLYFPVKSEU-JBACZVJFSA-N 493.423 4.050 50 10 JIGE C[C@@H]1CN(C(=O)c2cccc(F)c2I)CC[C@@H]1CCBr 2172462508 FBTDXMSDDICUKA-MNOVXSKESA-N 454.121 4.314 50 10 JIGE O=S(=O)(c1ccsc1CBr)N1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 2179869842 DBSMRQJSPTUSHH-MSOLQXFVSA-N 469.470 4.318 50 10 JIGE C=CCN(CC(=C)Br)S(=O)(=O)c1ccc(Br)c(CBr)c1 2179955676 DHEMUYKIBIWDBT-UHFFFAOYSA-N 488.039 4.429 50 10 JIGE C[C@@]1(CBr)COCCN(C(=O)c2cc(Br)cc(Br)c2)C1 2199826230 YESTWTKSWLMPHY-AWEZNQCLSA-N 469.999 4.085 50 10 JIGE CCC[C@H]1CN(C(=O)c2ccc(C)c(I)c2)C[C@@H]1CBr 2232830195 ZPLUQEYXCXCKGC-KBPBESRZSA-N 450.158 4.483 50 10 JIGE CC(C)[S@](=O)(=NCC1(CBr)CC(F)C1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2265637620 CTRKNNGXNJVVRW-FQHPOCKTSA-N 455.434 4.385 50 10 JIGE CCOc1ccc(C=CC(=O)NC(=S)NNC(=O)c2ccc(OCc3ccccc3)cc2)cc1 2313892298 QYLMJKFDIANFNY-UHFFFAOYSA-N 475.570 4.013 50 10 JIGE COc1ncc(Br)c(C)c1CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Br 2319603513 QUQSLMYBFADJBI-KGLIPLIRSA-N 480.197 4.061 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@H]2CC[C@@H](Cl)[C@H]2C1 2328659057 PRWFLJDAPUMHPO-JFGNBEQYSA-N 454.533 4.143 50 10 JIGE O=C(c1c(F)cccc1I)N1C[C@H]2CC(Br)C[C@@H](C2)C1 2364156384 FGVGECHKZCOGLZ-NXEZZACHSA-N 452.105 4.066 50 10 JIGE COc1cc(C(=O)N/N=C/c2cc(Br)c(Br)s2)cc(OC)c1OC 2950270 XGGIYOZOYZCPHG-CNHKJKLMSA-N 478.162 4.063 50 10 JIGE O=C(N/N=C/c1cc(Br)cc(Br)c1OC(=O)c1ccco1)c1cccnc1 3089536 NNXSKJXKPFXYNW-LSHDLFTRSA-N 493.111 4.183 50 10 JIGE Cc1ccc(C)c(OCC(=O)NNC(=O)COc2cc(C)c(Br)cc2C(C)C)c1 12490516 RYLKEHGAAPIPAG-UHFFFAOYSA-N 463.372 4.103 50 10 JIGE CC(C)(C)c1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2Cl)cc1 12573705 KEOIOWKYLDXZCN-UHFFFAOYSA-N 454.379 4.005 50 10 JIGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc([N+](=O)[O-])cc1 14648319 MBLKZNMVKNCLBG-UHFFFAOYSA-N 494.342 4.156 50 10 JIGE Cc1cc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)N2CCOCC2)ccc1OC(C)C 34261677 KPZBHJJQRKBUPR-JWGURIENSA-N 456.546 4.401 50 10 JIGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2ccc(-c3cc(C(=O)O)ccc3C)o2)cc1 58894667 SBWNYFKJZZTUFN-WGLQLPMYSA-N 450.491 4.316 50 10 JIGE COc1cccc(C(=O)N/N=C2\C(=O)N(Cc3ccc(F)cc3)c3ccc(Br)cc32)c1 59166634 DQUGWEXHJIFULL-QLYXXIJNSA-N 482.309 4.278 50 10 JIGE Cc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)NNC(=O)c4ccc(Cl)cc4)c(C)c32)c1 101593226 APNQPCVGKDVMEP-ZXVVBBHZSA-N 478.936 4.095 50 10 JIGE COc1ccc(/C=C2/N=C(SCC(=O)/C(C#N)=C(/C)N)N(c3ccc(OC(F)F)cc3)C2=O)cc1 103129454 VSGCBXMZVSQICX-PKVUCGNLSA-N 498.511 4.099 50 10 JIGE CN([C@@H]1CCCC[C@@H]1Br)S(=O)(=O)c1cc(Cl)c(Br)s1 158183950 XSDKJANRAFBDTQ-IONNQARKSA-N 451.633 4.491 50 10 JIGE CC(C)COc1ccc(/C=N\NC(=O)c2ccc(Nc3nc4ccccc4c(=O)[nH]3)cc2)cc1 169927906 QDUBZHFOOMEXNV-DICXZTSXSA-N 455.518 4.465 50 10 JIGE CCOc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)cc3C)c2C)S(C)(=O)=O)cc1 254369159 PZOWWDMHOULDIM-UHFFFAOYSA-N 496.633 4.026 50 10 JIGE C[C@@H](Sc1nc2ccccc2s1)C(=O)NN=Cc1cc2c(cc1Br)OCO2 254498920 UPDYBRNDNUUTKA-SNVBAGLBSA-N 464.366 4.418 50 10 JIGE CC(C)[C@@H](Br)C(=O)Nc1ccc(I)cc1Br 300907830 DUZNJAQLUKUFFC-SNVBAGLBSA-N 460.935 4.412 50 10 JIGE O=C(NC[C@H](Br)C1CCC1)c1cc(Br)ccc1I 315948548 ZTQPELLIHWVDIZ-NSHDSACASA-N 486.973 4.347 50 10 JIGE C[C@@H](Br)[C@H]1CCCN(S(=O)(=O)c2cc(Cl)c(Br)s2)C1 688927757 TXETZZROKACGEK-SFYZADRCSA-N 451.633 4.348 50 10 JIGE CC(C)CCOc1ccc(C(=O)NNC(=O)C2CCN(c3nc4ccccc4s3)CC2)cc1 727296607 VJUCLNBZTBLFGV-UHFFFAOYSA-N 466.607 4.399 50 10 JIGE CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)NNC(=O)c1ccc(COc3ccccc3)o1)O[C@@H](C)C2 730516635 BOFQJKZRHHJGLJ-BUKVSMQUSA-N 476.529 4.145 50 10 JIGE COc1cc(C(=O)Oc2ccc(C=NNC(=O)CCc3ccccc3)cc2)cc(OC)c1OC 1772720588 SJKJZWRLHGRAOI-UHFFFAOYSA-N 462.502 4.015 50 10 JIGE CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccn2)cc1OC 1865697014 NGELBIHLJXZLPK-IBGZPJMESA-N 496.365 4.218 50 10 JIGE Cc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1cccc([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865706313 SWOUCDCWAFYKFP-SFHVURJKSA-N 452.268 4.070 50 10 JIGE CCc1nn(-c2ccccc2Cl)c2c1[C@H](c1cc(OC)c(OC)cc1OC)C(C#N)=C(N)O2 1865712251 TZYFCTMDZFMLGP-OAQYLSRUSA-N 466.925 4.332 50 10 JIGE C[C@@H](NC(=O)C[C@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)Nc1ccc(SC#N)cc1 1866720021 IMNUVKPEYUAUNK-QRWLVFNGSA-N 451.548 4.058 50 10 JIGE COC(=O)c1ccccc1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(OC)cc3)cs2)CC1=O 1872745941 KSPHXXYIVPJROQ-LTUQMTLXSA-N 475.526 4.451 50 10 JIGE Cc1cc(CCl)cc(S(=O)(=O)N(Cc2ccccc2)[C@H]2CCOC2)c1Br 1915471531 NYIZWDJDGRIIFE-KRWDZBQOSA-N 458.805 4.476 50 10 JIGE CN(C[C@H](Br)COCc1ccccc1)S(=O)(=O)c1ccc(Br)s1 1916355660 XDZMZGXAIUSCFO-ZDUSSCGKSA-N 483.247 4.111 50 10 JIGE Brc1cccc(Br)c1CNCCOCCCI 1997687146 VKZNIPWUPIZYFG-UHFFFAOYSA-N 476.978 4.143 50 10 JIGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C)C(=O)C(C#N)=C2C)c(C)c1 2040582356 VTWQPAPKRUIDMB-UHFFFAOYSA-N 452.514 4.469 50 10 JIGE O=C(Cl)c1cc(I)cc(OC(F)(F)F)c1I 2060032880 BHXVPQUUACWFCU-UHFFFAOYSA-N 476.357 4.173 50 10 JIGE O=C(CCl)c1ccc(C(F)(F)F)c(I)c1I 2060044112 BPLIFEQQBYZEKM-UHFFFAOYSA-N 474.385 4.336 50 10 JIGE COc1ccc(-n2nc(CBr)c(I)c2C(F)(F)F)c(OC)c1 2079260469 FBASJKURRQXUJF-UHFFFAOYSA-N 491.045 4.408 50 10 JIGE C[C@@](CBr)(NC(=O)c1ccc(Br)cc1I)C(F)F 2086149174 KLCFRLRFJRKIIX-NSHDSACASA-N 496.915 4.202 50 10 JIGE CN(C[C@@H](Br)C1CC1)C(=O)c1ccc(Br)cc1I 2086152509 BUGINNMKNGXCIB-LLVKDONJSA-N 486.973 4.299 50 10 JIGE CCCN1CC[C@@H]([C@@H](Cl)c2scc(Br)c2Br)S1(=O)=O 2089528668 VBPKEIUNVAGKBP-WCBMZHEXSA-N 451.633 4.367 50 10 JIGE O=C(c1cc(Br)ccc1Br)N1CC(F)(F)C[C@@H]1CBr 2102788227 FVVPSSCFAJACCN-MRVPVSSYSA-N 461.926 4.456 50 10 JIGE CC(F)(F)C[C@@H](CCl)NC(=O)c1ccc(I)c(Br)c1 2113230774 LITOZEAJENHSTF-QMMMGPOBSA-N 466.491 4.436 50 10 JIGE C[C@]1(COc2c(Br)cc(Br)cc2CBr)COCCO1 2117548402 FCAQHMPZOMUAAN-CYBMUJFWSA-N 458.972 4.291 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CCC(F)(CCl)CC1 2142284267 AETFTVRQLXDWHR-UHFFFAOYSA-N 460.512 4.237 50 10 JIGE O=C(c1cc(I)ccc1F)N1[C@H]2CCC[C@H](Br)[C@H]1CC2 2169663756 JLNCPFHMWGZQSD-VHRBIJSZSA-N 452.105 4.351 50 10 JIGE O=C(c1cc(Br)sc1Br)N1C[C@@H](Br)C2(CCOCC2)C1 2174379587 PLLCAGNQYKSPIK-SECBINFHSA-N 488.039 4.289 50 10 JIGE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H](Br)C2CCCC2)C[C@H]1CC(F)(F)F 2176101249 FDEOTNKRKWNZQZ-ZIAGYGMSSA-N 457.331 4.340 50 10 JIGE CCN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(F)ccc1CBr 2179787890 VCRHOJISLBUVQR-LJQANCHMSA-N 455.393 4.006 50 10 JIGE CC1(C)CN(S(=O)(=O)c2ccc(F)c(CBr)c2)CCN1Cc1ccccc1 2179788482 CNZHRUHERLDSLG-UHFFFAOYSA-N 455.393 4.006 50 10 JIGE O=S(=O)(c1cc(Br)cc(CBr)c1F)N1CCC(=CBr)C1 2179835123 PQZMYAWEWXUPJD-UHFFFAOYSA-N 492.002 4.156 50 10 JIGE COc1ccc([C@H](Br)c2nn(C)nc2Br)c(Br)c1Cl 2268260864 BDYAAERGXJXHMY-QMMMGPOBSA-N 474.378 4.486 50 10 JIGE CC1(C)OCCN(C(=O)c2cccc(Br)c2Br)[C@@H]1CBr 2282803862 AJZPNCFSRKVCOE-LLVKDONJSA-N 469.999 4.226 50 10 JIGE CC(C)(CI)CN1CC[C@@H](C(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)C1 2306819483 VDMHVZBCMBRTMN-NEPJUHHUSA-N 464.310 4.225 50 10 JIGE CO[C@H]1C[C@@H](Br)CN(Cc2ccc(I)c(Br)c2)C1 2325225064 BUAUYZRTFYVVOM-MNOVXSKESA-N 488.989 4.038 50 10 JIGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccc(OCC(=O)Nc2ccccc2)cc1 2328821131 LDAPREYBQVDKIS-MBSDFSHPSA-N 482.581 4.094 50 10 JIGE COc1ccc(Cl)cc1-c1csc(C(C#N)=C(O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)n1 2331411005 CWFKUJCXZFFBNY-UHFFFAOYSA-N 496.888 4.469 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@@]2(CBr)CC[C@H]1C2 2336475093 DWQUCEUFQDLSOV-HZMBPMFUSA-N 498.984 4.443 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@H]2CC[C@H]1[C@H](Br)C2 2349958546 CHIPIBAVCVFMBW-KDDOJWQBSA-N 498.984 4.442 50 10 JIGE O=C(NCC(F)(F)C(F)(F)CBr)c1ccc(Cl)cc1I 2365593049 RMMIFPRNRXJQQA-UHFFFAOYSA-N 488.444 4.340 50 10 JIGE CCOC(=O)c1nn(-c2ccc(OC(F)(F)F)cc2)c(=O)c2c(NC(=O)[C@H](C)Cl)scc12 10383408 PLOCEHUUSAJGPG-VIFPVBQESA-N 489.859 4.088 50 10 JIGE CCCOc1ccc(/C=N/NC(=O)COc2ccc(I)cc2)c(OCCC)c1 20595457 ZTYGRBNVHVVIQO-OEAKJJBVSA-N 496.345 4.398 50 10 JIGE COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@H](C)Oc3ccc(F)cc3)ccc21 38650039 OYJNNCFRCQLMNK-OWJWWREXSA-N 460.461 4.425 50 10 JIGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4C)ccc32)c(OC)c1 38656851 HMFSOPKWALYNFX-SANMLTNESA-N 472.497 4.215 50 10 JIGE COC(=O)COc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1OC 96476466 IOSGXRAOEYXFKW-NTUHNPAUSA-N 479.714 4.209 50 10 JIGE CNC(=O)/C(C#N)=C1\S[C@H](Cc2cccc(C(F)(F)F)c2)C(=O)N1c1ccc(C)c(C)c1 101240764 MLQCFBNYHKKMME-SBOLGIJOSA-N 459.493 4.495 50 10 JIGE Cc1ccccc1[C@H]1c2ccsc2CCN1CC(=O)N1CCN(C(=O)C(C)(C)CCl)[C@@H](C)C1 105059896 ZMTSHLRFUBMUEQ-CYFREDJKSA-N 488.097 4.328 50 10 JIGE COc1cccc(C=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)c1O 252596818 CMSVCBWTBHEAKN-UHFFFAOYSA-N 473.558 4.199 50 10 JIGE C[C@H]1C[C@@H](Br)CN1C(=O)c1cc(Br)ccc1I 384925069 FOLPHOCNDBRPPN-IONNQARKSA-N 472.946 4.052 50 10 JIGE C[C@@H]1CN(S(=O)(=O)c2cc(Br)cc(CCl)c2F)CCN1Cc1ccccc1 396371106 NIHNMEOCGKXKLL-CQSZACIVSA-N 475.811 4.222 50 10 JIGE CN(C[C@H](Br)C1CC1)C(=O)c1ccc(I)c(Br)c1 721508298 IBWQDDBAQZQVRR-NSHDSACASA-N 486.973 4.299 50 10 JIGE C[C@H]1CCc2c(sc3nc(CCC(=O)NNC(=O)c4ccc(C(C)(C)C)cc4)nc(O)c23)C1 768568317 CZYGNGUIZAFTHW-AWEZNQCLSA-N 466.607 4.213 50 10 JIGE COc1ccc(N([C@@H](C)C(=O)NN=Cc2cc(C)n(-c3ccc(C)cc3C)c2C)S(C)(=O)=O)cc1 1084371882 JZDAIZZANFMIED-NRFANRHFSA-N 496.633 4.024 50 10 JIGE O=C(CCSc1ccccc1)NN=Cc1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 1084390791 HQFHOUDYBYMMRA-UHFFFAOYSA-N 451.523 4.476 50 10 JIGE C/C(=C\c1cccc(Cl)c1)C(=O)NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 1463685582 UKHSYNZUIJKHGU-BMRADRMJSA-N 457.921 4.452 50 10 JIGE O=C(CSc1nc2ccccc2[nH]1)NN=Cc1c(O)ccc2cc(Br)ccc12 1772760308 AQKKLSVJPCYPQX-UHFFFAOYSA-N 455.337 4.427 50 10 JIGE COc1ccc(NC(=O)[C@@H](C)Oc2cccnc2NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 1858685217 IQXMQRDBKQMYKO-CQSZACIVSA-N 452.423 4.015 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Br)cc2)[C@@H]1c1ccco1 1865698443 TZSYLPXDDWFLMX-ZDUSSCGKSA-N 451.202 4.465 50 10 JIGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)Cc1ccccc1Br 1916365537 YICQDRJCIAJEFJ-QGZVFWFLSA-N 455.190 4.430 50 10 JIGE Cc1ccc(CCl)cc1-n1c(C)nc(I)c1I 1941554251 UUSAFPGZFSCERY-UHFFFAOYSA-N 472.495 4.437 50 10 JIGE CN(CC1CC(Br)C1)C(=O)CC[C@H](NC(=O)OCc1ccccc1)C(F)(F)F 2076221132 SQHGGMFBCSXTPW-GPANFISMSA-N 465.310 4.256 50 10 JIGE CCOc1ccc(-n2nc(CBr)c(I)c2C(F)(F)F)cn1 2078931609 UCVDPRCZEJECGN-UHFFFAOYSA-N 476.034 4.184 50 10 JIGE CC(C)[C@@H](Br)CCNS(=O)(=O)c1cc(Br)ccc1Br 2090377022 OJFVYALKCMWMEY-JTQLQIEISA-N 478.044 4.300 50 10 JIGE CC(C)(CNC(=O)c1cccc(Br)c1Br)OCCBr 2092340721 TXLGWHPWUNHDBR-UHFFFAOYSA-N 457.988 4.132 50 10 JIGE COCCN(C)C[C@H](Br)CCc1c(Br)cccc1Br 2099442879 OAAWXGHQMPMDFM-LLVKDONJSA-N 458.032 4.486 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CC[C@]12C[C@@H](CBr)C2 2125793355 JEYSOPOYLUKLJG-KMHCFJFGSA-N 498.984 4.443 50 10 JIGE Brc1cccc(CN2CCO[C@@H]3C[C@H](Br)C[C@@H]32)c1Br 2128883848 LDIQIAKDWGJNPU-KGYLQXTDSA-N 454.000 4.338 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)NC[C@@H](CBr)C2CC2)cc1Br 2146171745 AOYZNEYUSVIBFW-SNVBAGLBSA-N 490.055 4.219 50 10 JIGE Cc1c(CBr)cccc1S(=O)(=O)N1CC2(CC(OCc3ccccc3)C2)C1 2179784594 BEOSCJLUOOBJPF-UHFFFAOYSA-N 450.398 4.260 50 10 JIGE C[C@H]1CN(Cc2ccccc2)C[C@@H](C)N(S(=O)(=O)c2ccc(CCBr)s2)C1 2179814993 JAHWOJWVVHBYNM-DLBZAZTESA-N 471.486 4.217 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN=c1c(N)c[nH]c2ccc(Br)cc12 2181742982 IVXNOQRPMPDRDS-UHFFFAOYSA-N 473.462 4.319 50 10 JIGE O=C(Cc1ccccc1I)N1CCC[C@H](CCCBr)C1 2234191119 QKPDUULBCWYTBH-ZDUSSCGKSA-N 450.158 4.247 50 10 JIGE CC1(C)CCN(Cc2ccccc2)CCN1S(=O)(=O)c1ccccc1CBr 2239857672 CKZVSJULNHIBGU-UHFFFAOYSA-N 451.430 4.257 50 10 JIGE O=C(c1c(F)cccc1I)N1[C@H](CBr)CCC12CCC2 2282765616 JAZFNDQEOQYLSW-JTQLQIEISA-N 452.105 4.353 50 10 JIGE N#CC(=Cc1ccc(-c2ccc(S(N)(=O)=O)cc2)o1)C(=O)Nc1cc(Cl)ccc1Cl 2297553794 NIZSNHFCDAWDMY-UHFFFAOYSA-N 462.314 4.446 50 10 JIGE O=S1(=O)CCC[C@@H]([C@H](Br)c2sc(Cl)cc2I)C1 2300998695 UWBSVFZXZRXDCK-MUWHJKNJSA-N 469.591 4.267 50 10 JIGE CCN(C=C(C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)CCc1ccncc1 2324605963 CKMJJPKBFAGXPS-UHFFFAOYSA-N 479.628 4.287 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@H]2C[C@H](CCl)[C@H]2C1 2330494540 VYRWHKGFHYKQHV-KBVBSXBZSA-N 454.533 4.001 50 10 JIGE O=C(c1scc(Br)c1Br)N1CC2(CC[C@H](CBr)O2)C1 2336744343 VRDRWXDBKPNZNC-SSDOTTSWSA-N 474.012 4.042 50 10 JIGE CN(CC[C@H](Br)c1cccs1)Cc1nn(C)cc1I 2341845583 YXGCCHNYYJKHBH-JTQLQIEISA-N 454.175 4.044 50 10 JIGE Cn1nc(Br)c(Br)c1C(=O)Nc1ccc(CCBr)cc1 2364030597 BEZBPAFIMYODPR-UHFFFAOYSA-N 465.971 4.135 50 10 JIGE CCOc1cccc(-n2ccnc2CCCN2C(=O)c3ccccc3C2=O)c1CBr 2367509472 BWYKPJSKORMIIL-UHFFFAOYSA-N 468.351 4.395 50 10 JIGE COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(C)cc4)c32)ccc1OC(=O)c1ccco1 8557875 RHXHPRIOOWMCQL-NRFANRHFSA-N 468.469 4.424 50 10 JIGE O=C(COc1ccc(Br)cc1Br)NNC(=O)c1cc(Cl)cc(Cl)c1 10384454 RKXLCDUOIZIBDR-UHFFFAOYSA-N 496.970 4.358 50 10 JIGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)c3ccccc3F)cc2)cc1 14037634 HQMRFBJFWBCQSD-UHFFFAOYSA-N 492.576 4.325 50 10 JIGE COc1ccccc1/C=N/NC(=O)CNc1c(Br)cc(C)cc1Br 27498218 ORDCHSXXAOSRDU-ZVBGSRNCSA-N 455.150 4.091 50 10 JIGE C[C@@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc([N+](=O)[O-])c1 38653907 KLBSYLRMAMOJOC-FATZIPQQSA-N 475.432 4.325 50 10 JIGE Cc1ccc(Sc2ncnc(NNC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2[N+](=O)[O-])cc1 40650314 XXFCRLIUXIFFGB-UHFFFAOYSA-N 460.859 4.163 50 10 JIGE CCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Br)cc2OC)cc1OC 40858377 ACPFZHAGDZLZNJ-RIYZIHGNSA-N 461.312 4.419 50 10 JIGE COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1ccc(Br)cc1 40890219 ZWVOGMMHSWHBBP-GZTJUZNOSA-N 481.302 4.493 50 10 JIGE CCOc1ccc(/C=N/NC(=O)COc2ccc(Br)cc2Br)cc1OC 40910852 PHAOORZHISUZCK-UFFVCSGVSA-N 486.160 4.148 50 10 JIGE CCCCCCCC(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccccc2C)cc1 100171138 UEOHJSUPWPKLHI-UHFFFAOYSA-N 454.596 4.243 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2CC[C@H](C)[C@@H](Br)C2)cc1Br 230301271 ACVXJEZVVNFWHK-UFBFGSQYSA-N 490.055 4.314 50 10 JIGE COc1cccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc(C)c(C)c3)cc2OC)c1 254679142 KQVMWKZEMCYNOT-UHFFFAOYSA-N 462.502 4.069 50 10 JIGE O=S(=O)(c1ccc(Br)cc1F)N(CCBr)Cc1ccccc1 379477418 YWQBOJKTZCBPSI-UHFFFAOYSA-N 451.155 4.174 50 10 JIGE O=C(c1ccc(I)c(O)c1)N1CCC(CCCBr)CC1 401038983 CZAXPWIOEDIZTI-UHFFFAOYSA-N 452.130 4.024 50 10 JIGE Cc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccc(C(=O)O)cc1 1084307930 QXENWBHVPJZGOE-HAVVHWLPSA-N 454.530 4.048 50 10 JIGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2cccc3ccccc23)cc1)Nc1ccc(F)cc1 1084358138 IWPGVTFJMVZDSR-UHFFFAOYSA-N 484.487 4.085 50 10 JIGE CCc1ccc(OCC(=O)NN=Cc2cc(Br)ccc2O)c(Br)c1 1084491022 RDFFELXRBHCNGA-UHFFFAOYSA-N 456.134 4.009 50 10 JIGE C=CCc1cc(C(=O)NNC(=O)c2cc(-c3ccco3)nc3ccccc23)cc(OC)c1OC 1135558515 NSGVQUQSMUZJOQ-UHFFFAOYSA-N 457.486 4.315 50 10 JIGE CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1cc(Br)c(O)c(OC)c1)C(C#N)=C(N)O2 1865689443 SCSSRFQXRQUVBD-LJQANCHMSA-N 481.350 4.438 50 10 JIGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@H](c2ccccn2)C(C#N)=C(N)O3)cc1 1865700615 ZAWFSAFEKMYZNS-QFIPXVFZSA-N 453.477 4.359 50 10 JIGE Cc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865702230 QCIRTSPREWIMPO-IBGZPJMESA-N 457.278 4.499 50 10 JIGE CCCc1nn(CCC)c2c1[C@@H](c1ccc(OCC(=O)N(CC)CC)c(OCC)c1)C(C#N)=C(N)O2 1865707376 VNHTVTFRJJJFJI-DEOSSOPVSA-N 495.624 4.110 50 10 JIGE CC(C)(C)OC(=O)N[C@H](C[S@](C)(=O)=NC[C@H](Br)C(F)(F)F)C(C)(C)C 2044705949 PJYPCSKHCPUIAR-OZGSTZEOSA-N 453.365 4.349 50 10 JIGE CC1CC(CBr)(NC(=O)c2cc(Br)ccc2I)C1 2045118012 LHHQMSGFUYFOLP-UHFFFAOYSA-N 486.973 4.347 50 10 JIGE COC[C@](C)(CCBr)NC(=O)c1ccc(Br)cc1Br 2101777341 NQRMUFYFOKOZAK-ZDUSSCGKSA-N 457.988 4.132 50 10 JIGE C[C@@]12CN(C(=O)c3cc(Br)ccc3I)C[C@]1(CBr)C2 2109183535 RTPCOIIQARVQBH-ZIAGYGMSSA-N 498.984 4.301 50 10 JIGE FC(F)(F)c1cnc(N2[C@H]3CC[C@H]2[C@H](CBr)C3)c(I)c1 2157219811 JPHXYBVQLVQHJV-ARENWVFISA-N 461.063 4.457 50 10 JIGE CC(C)(C)OC(=O)N[C@H](C[S@@](C)(=O)=NCC1(CBr)CCOCC1)C(C)(C)C 2163065202 YHKRLYXDIXCFEJ-YVORESIASA-N 469.486 4.215 50 10 JIGE CN(C(=O)Cc1ccccc1I)[C@H]1CCCCC[C@@H]1Br 2172538952 HKGIKXAEHZTCMS-ZFWWWQNUSA-N 450.158 4.388 50 10 JIGE Cc1cc(S(=O)(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)ccc1CBr 2179785386 LKFSBYSHZNLPFH-FQEVSTJZSA-N 451.430 4.175 50 10 JIGE CN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1cc(F)ccc1CBr 2179786093 VOXVYWBNOAXDQR-UHFFFAOYSA-N 455.393 4.006 50 10 JIGE CN([C@H]1CC[C@@H]1OCc1ccccc1)S(=O)(=O)c1cc(CBr)n(C2CC2)c1 2179858104 JXVLNHQSQVXIDE-PMACEKPBSA-N 453.402 4.086 50 10 JIGE O=S(=O)(c1ccsc1CBr)N1[C@H]2CCC[C@H]1CN(Cc1ccccc1)CC2 2179870701 PJDAFWORUFDKCE-ROUUACIJSA-N 469.470 4.461 50 10 JIGE CN(C[C@H]1C[C@@H](Br)C1)C(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@]1(C)C(F)(F)F 2196914182 KVYYTASAOHQLQH-IPJQOSJUSA-N 457.331 4.054 50 10 JIGE CC1(C)C[C@@](C)(CBr)CN1C(=O)c1cc(I)ccc1O 2199537852 GMSJBJHMGCKLKN-HNNXBMFYSA-N 452.130 4.023 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)NC[C@@H](Br)C1CCC1 2277930307 UKJANUAAZMYILI-CYBMUJFWSA-N 454.000 4.434 50 10 JIGE COc1ccc(C=C(C#N)C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1Br 2293039238 RSFZHSXQJVZRJN-UHFFFAOYSA-N 460.353 4.043 50 10 JIGE COc1cc(C=C(C#N)C(=O)N(C)C)cc(I)c1OCc1ccc(F)cc1 2313567227 DQHPBCMGOZSWQA-UHFFFAOYSA-N 480.277 4.013 50 10 JIGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1ccc(C)cc1 2314737243 UATDTOYZKALAMK-UHFFFAOYSA-N 456.498 4.211 50 10 JIGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)CCc2ccc(C(C)(C)C)cc2)c(OC)c1 2314790204 KBVYBJRZPYWXMY-UHFFFAOYSA-N 464.562 4.200 50 10 JIGE CCCOc1c(C=NNC(=O)c2cccn(Cc3ccc(Cl)cc3)c2=O)cccc1OC 2323647820 VYQIFEHUVGIXHS-UHFFFAOYSA-N 453.926 4.111 50 10 JIGE COc1ccc(NC=C(C#N)C(=O)Nc2ccc(I)cc2C)c(OC)c1 2325406330 SDCMDCJSASUTCB-UHFFFAOYSA-N 463.275 4.075 50 10 JIGE COc1cccc(-c2csc(C(C#N)=C(O)CCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)c1 2331248928 FWRLOICOXFGCMD-UHFFFAOYSA-N 476.470 4.206 50 10 JIGE Clc1ccc(CN2C[C@H](CBr)OCC23CC3)c(I)c1 2341043534 QLJZFKNCEQDFAZ-LBPRGKRZSA-N 456.549 4.073 50 10 JIGE CC(C)(C)OC(=O)N[C@@H]1CN(C[C@@]2(CBr)CC2(F)F)CC[C@@H]1C(F)(F)F 2351885184 GBATXUYCEONRFY-WDMOLILDSA-N 451.274 4.184 50 10 JIGE COc1ccc(/C(C#N)=C\c2ccc(OC(=O)[C@@H](C)N3C(=O)c4ccccc4C3=O)c(OC)c2)cc1 31902294 GDNINGGVTNKOJG-LCJWNIEWSA-N 482.492 4.358 50 10 JIGE Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(I)c(O)c([N+](=O)[O-])c2)c1 58834311 VOXDHESULSZGRM-AWNIVKPZSA-N 463.231 4.068 50 10 JIGE CCOC(=O)c1c(NC(=O)C(=O)N/N=C/C(C)=C/c2ccccc2)sc2c1CC[C@@H](C)C2 105055871 ZQPIMJCFQFITOW-GCOWTBOMSA-N 453.564 4.194 50 10 JIGE Cc1sc(Br)cc1S(=O)(=O)N(CCBr)Cc1ccccc1 147574180 FGRWSBAVUZBWPH-UHFFFAOYSA-N 453.221 4.405 50 10 JIGE O=C(N[C@@H]1CCCC[C@H]1Br)c1cc(I)ccc1Br 232486887 MFXXESVBEJINOS-VXGBXAGGSA-N 486.973 4.490 50 10 JIGE O=C(NN=Cc1c(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc2ccccc12)c1ccccc1 254310074 RGMDYGPGSIBQQA-UHFFFAOYSA-N 475.482 4.280 50 10 JIGE CC(=NNC(=O)c1ccccc1OCC(=O)Nc1ccc(Br)cc1)c1ccncc1 254597530 HQAUMCQETMSQMX-UHFFFAOYSA-N 467.323 4.016 50 10 JIGE CCn1c(SCC(=O)NN=Cc2ccccc2C(=O)O)nnc1-c1ccc(C(C)(C)C)cc1 254699571 HUWHEMFRYCJVHR-UHFFFAOYSA-N 465.579 4.203 50 10 JIGE O=C(NN=Cc1ccncc1)c1cc2n(n1)[C@@H](C(F)(F)C(F)(F)F)C[C@@H](c1ccc(F)cc1)N2 254837604 HZYKHPFSSQRAPV-DOTOQJQBSA-N 482.388 4.477 50 10 JIGE CC(C)(C)[Si](OC[C@@H]1[C@@H]2CC(=O)O[C@H]2C[C@H]1O[C@H]1CCCCO1)(c1ccccc1)c1ccccc1 575627085 KKUBBAJCNWPXGW-KVFWAJHPSA-N 494.704 4.426 50 10 JIGE in-vitro Cc1cc(/C=C(\C#N)C(=O)OCC(=O)c2ccc3c(c2)CC(=O)N3C)c(C)n1-c1ccc(F)cc1 729350594 DLNSXJXKSANRAD-CIAFOILYSA-N 471.488 4.085 50 10 JIGE COc1c(C)cnc(CN(C)C(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)c1C 746863817 DNXJJBSKJPTJPW-BKUYFWCQSA-N 454.534 4.050 50 10 JIGE NC(=O)Cn1cc(C=NNC(=O)c2ccc(OCc3ccccc3Cl)cc2)c(-c2ccccc2)n1 1083937434 DHXNLCRDFZNGCI-UHFFFAOYSA-N 487.947 4.032 50 10 JIGE O=C(CSc1nc2ccccc2s1)NN=Cc1ccc(OS(=O)(=O)c2ccccc2)cc1 1084472176 LSJSVGYFBKJVCW-UHFFFAOYSA-N 483.596 4.306 50 10 JIGE C/C(=C/C(=O)NNC(=S)Nc1cccc(Br)c1)c1ccccc1OC(F)F 1135964501 CXVZJILXWFUESL-LUAWRHEFSA-N 456.312 4.472 50 10 JIGE C=CCn1c(S)nc2cc(C(=O)N3CCC[C@H](O[Si](C)(C)C(C)(C)C)C3)ccc2c1=O 1611429283 HQOSJCPOLADMBK-KRWDZBQOSA-N 459.688 4.498 50 10 JIGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(OC)c(O)c1)C(C#N)=C(N)O2 1865682155 HMPNWDRBMXDQGA-HXUWFJFHSA-N 454.889 4.219 50 10 JIGE Cc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865711772 HRTWPPACULRRFT-DEOSSOPVSA-N 481.468 4.232 50 10 JIGE COc1ccc(-c2ccc(C(=O)NNC(=O)c3cccc(C(F)(F)F)c3)c(C)n2)cc1OC 1865759338 VDZWZYWZVSPIOG-UHFFFAOYSA-N 459.424 4.168 50 10 JIGE O=C(NC1(C(=O)NCC2CC(Br)C2)CC1)OCC1c2ccccc2-c2ccccc21 1890631052 LSYQVQZZWQCTLG-UHFFFAOYSA-N 469.379 4.347 50 10 JIGE CCCC(CBr)(CBr)Cc1ncc(I)cn1 1905210208 QYOIISFQRSVFNT-UHFFFAOYSA-N 461.967 4.200 50 10 JIGE O=C(c1csc(Br)c1Br)N1CCS[C@H](CBr)C1 1945189214 LUZQHKJGDBHMHF-ZCFIWIBFSA-N 464.042 4.226 50 10 JIGE C[C@@H](CCCCCI)NC(=O)c1sccc1I 2006101742 HTEJUDMKMILXOM-VIFPVBQESA-N 477.149 4.466 50 10 JIGE Brc1cc(I)cnc1N1CC[C@H](Br)CC12CC2 2015758226 FCQFCRITRRKDGU-QMMMGPOBSA-N 471.962 4.345 50 10 JIGE Brc1cc(I)cnc1N1C[C@H](Br)[C@H](C2CC2)C1 2015765003 CRQQJNLQCYHWRM-ONGXEEELSA-N 471.962 4.058 50 10 JIGE CCOc1cc(-n2nc(CBr)c(I)c2C(F)(F)F)cc(C)n1 2078925766 ANXXHXGJCPLFAS-UHFFFAOYSA-N 490.061 4.493 50 10 JIGE C[C@@]12CN(C(=O)c3ccc(Br)cc3Br)C[C@]1(CBr)C2 2109181635 HMMUKPVUWSCTEW-ZIAGYGMSSA-N 451.984 4.459 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CC[C@H](Br)[C@H]2CC[C@@H]21 2133726320 KUTAGVFTNXIKSH-NRUUGDAUSA-N 498.984 4.442 50 10 JIGE O=S(=O)(c1cc(CBr)n(C2CC2)c1)N1CCC[C@@H](OCc2ccccc2)C1 2186382583 VVGCITNFWMWXMU-LJQANCHMSA-N 453.402 4.088 50 10 JIGE O=C(Nc1ccc(Br)cc1I)[C@H]1C[C@H](Br)C1 2212608621 VAQHUAFZOVJXCM-FKQCQYRASA-N 458.919 4.166 50 10 JIGE BrC[C@@]12CN(Cc3cccc(Br)c3Br)C[C@@H]1CCO2 2231270555 RMQFFYUXKNQTCI-SMDDNHRTSA-N 454.000 4.197 50 10 JIGE O=S1(=O)CCC([C@@H](Br)c2sc(Cl)cc2I)CC1 2300954243 VCISRBKKWFHVJQ-SECBINFHSA-N 469.591 4.267 50 10 JIGE O=C(Cc1ccccc1I)N[C@H](CCCl)COCc1ccccc1 2303701240 XKXRERLIWBNQFV-QGZVFWFLSA-N 457.739 4.164 50 10 JIGE CN(C)C(=O)C(C#N)=Cc1ccc(OCc2cccc(F)c2)c(I)c1 2313567925 PTHQLLAMNDTISO-UHFFFAOYSA-N 450.251 4.004 50 10 JIGE O=C(NN=Cc1cc(Cl)c(O)c(Cl)c1)c1cccn(Cc2ccccc2Cl)c1=O 2323652974 XAUBVSQQOUMADC-UHFFFAOYSA-N 450.709 4.326 50 10 JIGE COCCCN1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc5c(c4)OCO5)cs3)cc2C1=O 2331333831 GKZMBMFYZVDCRR-UHFFFAOYSA-N 489.509 4.121 50 10 JIGE O=C(N[C@H]1CC[C@@H]2C[C@]12CBr)c1ccc(I)c(Cl)c1 2331771543 FHFFSBKPWPLKIX-LJWDBELGSA-N 454.533 4.238 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1C[C@@H]2CC[C@H](C1)C2Br 2340068566 OXBHUAOWMGQXGQ-PHXKMMTBSA-N 454.533 4.190 50 10 JIGE Cn1cc(I)c(C[C@@H](CBr)Cc2ccc(Cl)cc2)n1 2341762223 HBRPRQQJQIRRCU-NSHDSACASA-N 453.549 4.474 50 10 JIGE COCCO[C@@H]1[C@H](Br)C[C@H]1OCc1cc(Br)cc(Br)c1 2362240194 OHAFTTOVGLEYOG-MGPQQGTHSA-N 472.999 4.296 50 10 JIGE CN(Cc1ccc(CBr)cc1)Cc1c(Br)c(Br)nn1C 2364341672 NNHNYXIFKOHQJP-UHFFFAOYSA-N 466.015 4.472 50 10 JIGE Cc1ccc(/C=C/C(=O)NC(=S)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 13978664 RLFZEJITTULYSA-DHZHZOJOSA-N 466.390 4.196 50 10 JIGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)c2ccc(OCCOc3ccccc3)cc2)c1 14039508 SJBFTQLRBMYUEM-UHFFFAOYSA-N 462.546 4.416 50 10 JIGE O=C(NNc1ncnc(N(Cc2ccccc2)Cc2ccccc2)c1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] 40607326 WMQQQPSDONCSJW-UHFFFAOYSA-N 499.487 4.257 50 10 JIGE CCOc1ccc(/C=C(\C#N)C(=O)Oc2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1OC 40948046 MMWSNHUQEVQJER-QGOAFFKASA-N 468.465 4.407 50 10 JIGE CCCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2C)cc1 100154403 YYAOHZJMIQWBAR-UHFFFAOYSA-N 457.596 4.059 50 10 JIGE O=C(NN=Cc1ccco1)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1 254630587 YMIOQJHHEJJBBX-UHFFFAOYSA-N 459.527 4.439 50 10 JIGE CC[C@H](Cl)c1cn(-c2cc(I)cc(I)c2)nn1 690363849 OFUJEFFDAIHGGH-JTQLQIEISA-N 473.483 4.166 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1C[C@H]2C[C@@H](Br)C[C@H]1C2 721590970 BHAXHHGNOZHHCT-JMJZKYOTSA-N 498.984 4.442 50 10 JIGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])o2)cc1 1084241840 IPYLHIRLVQIORQ-NRFANRHFSA-N 482.449 4.126 50 10 JIGE Cc1cc(C)cc(NC(=O)NN=Cc2cc(Br)c(I)o2)c1 1084404399 IKVIZCTZFFMMCX-UHFFFAOYSA-N 462.085 4.419 50 10 JIGE COc1cc(C=NNC(=O)COc2ccc(Br)cc2C(C)C)cc(OC)c1OC 1772755891 UEBOYUHEEKYJPQ-UHFFFAOYSA-N 465.344 4.127 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(F)c2)[C@@H]1c1ccc2c(c1)OCCO2 1865698094 KIYUVQJHZDIYMN-GOSISDBHSA-N 472.398 4.079 50 10 JIGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)c2cc(-c3cccnc3)on2)cc1 1867165495 ZSAUBMNFKLJBGV-NRFANRHFSA-N 487.516 4.429 50 10 JIGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)c(OC)c1 1873794620 QZLZJRFCOFUVNQ-UYUSJBRMSA-N 483.565 4.304 50 10 JIGE C[C@H]1CN(Cc2ccccc2)C[C@@H](C)CN1S(=O)(=O)c1ccc(CBr)cc1 1921476619 GCGBGSNANPCODN-MSOLQXFVSA-N 451.430 4.113 50 10 JIGE CC1(C)C[C@H](Br)CCN1S(=O)(=O)c1cc(Cl)c(Br)s1 2113572607 PEFBSLJIXDZREN-SSDOTTSWSA-N 451.633 4.491 50 10 JIGE O=C(c1cc(Br)cc(Br)c1)N1C[C@@H]2[C@@H](CBr)C[C@H]2C1 2117687834 CSRPRZHPCFJMAC-GBIKHYSHSA-N 451.984 4.315 50 10 JIGE C[C@H](Br)C[C@H]1COCCN1C(=O)c1cc(Br)sc1Br 2128876490 FHWKLDQBYXUYOX-YUMQZZPRSA-N 476.028 4.288 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1CC[C@H](Br)[C@@H]2CC[C@H]21 2268347327 KXQQWANDVLJFSI-OUJBWJOFSA-N 454.533 4.333 50 10 JIGE C[C@@H]1CN(C(=O)c2c(F)cccc2I)CC[C@@H]1CCBr 2282794077 GVWLQVAWMNGJDX-MNOVXSKESA-N 454.121 4.314 50 10 JIGE Fc1cc(Br)ccc1CNCC(F)(F)C(F)(F)CI 2336529386 KQDGILXDXOVXCJ-UHFFFAOYSA-N 458.006 4.383 50 10 JIGE Cn1cnc(Br)c1[C@H](Br)c1cc(Br)c2c(c1)CCO2 2337329744 GWRMQYXSULLGOU-SNVBAGLBSA-N 450.956 4.364 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N[C@@H]1C[C@@H](CBr)[C@H]2C[C@H]21 2360163734 NKVIBSJFVSTMHP-KQURDKLPSA-N 466.011 4.290 50 10 JIGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)[C@@H](C)Oc3ccccc3Cl)cc2)c1 14026827 HBATVDWQKXOHKI-MRXNPFEDSA-N 451.910 4.129 50 10 JIGE Cc1ccc(C(=O)NNC(=O)c2ccc(OCCc3ccccc3)cc2)cc1Br 14041607 LFLAKEWDQVNYNA-UHFFFAOYSA-N 453.336 4.454 50 10 JIGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)c2ccc(NC(=O)C3CC3)cc2)c(Br)c1 14832292 ZBARSWNRBPTFKP-CQSZACIVSA-N 488.382 4.151 50 10 JIGE C=CCn1c(CNc2ccccc2)nnc1S[C@@H](C)C(=O)N/N=C/c1c(C)nn(C(C)C)c1C 20805184 SQRFBCFKMUXFFR-FOGHPNEFSA-N 480.642 4.101 50 10 JIGE COc1ccc(/C=C(/C#N)C(=O)Nc2nc3c(s2)CCN(Cc2ccccc2)C3)cc1OC 33403933 SVSISJYHZDJIRY-UNOMPAQXSA-N 460.559 4.264 50 10 JIGE CCOc1ccc(/C=C2\C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1OCC 214389633 VJWCQJZDNWLJBZ-GRSHGNNSSA-N 460.486 4.005 50 10 JIGE O=C(NCCCCCCI)c1ccc(F)cc1I 236175393 SVHPNMCGPGDUFB-UHFFFAOYSA-N 475.083 4.156 50 10 JIGE CC(=O)Oc1c(Br)cc(C=NNC(=O)c2ccc(C)cc2)cc1Br 254294183 XIHBZBHRADDWBK-UHFFFAOYSA-N 454.118 4.209 50 10 JIGE CCOc1ccc(C(=O)NN=Cc2ccc(OC(=O)c3ccc(OCC)cc3)c(OC)c2)cc1 254848117 CNVVKPALIQUYFD-UHFFFAOYSA-N 462.502 4.476 50 10 JIGE CO[C@@]1(CBr)CCCN(C(=O)c2cc(Br)cc(Br)c2)C1 401918628 VLHAHJCYMIICOW-CQSZACIVSA-N 469.999 4.228 50 10 JIGE O=S1(=O)CCC[C@H]1[C@H](Br)c1cc(Br)sc1Br 694702290 RLUPHSIQQUDQSH-POYBYMJQSA-N 453.015 4.286 50 10 JIGE Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccc(Cl)cc2)cc1 1084293265 AFNSQNDXWLIDRZ-UHFFFAOYSA-N 469.994 4.032 50 10 JIGE COC(=O)Cn1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)c2ccccc21 1084460421 GJXWQWRQDULPLI-UHFFFAOYSA-N 454.280 4.087 50 10 JIGE O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)NN=Cc1ccc(Cl)c([N+](=O)[O-])c1 1084478532 GKDUUIXNIHQAHQ-UHFFFAOYSA-N 451.873 4.009 50 10 JIGE C#Cc1cccc(NC(=O)CN(C)C(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(C)cc3)c2C)c1 1125187820 VOMCYWISRCQJPK-LFVJCYFKSA-N 450.542 4.388 50 10 JIGE C#C[C@H](NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(Br)cc2)c1C)[C@H]1CCCO1 1539109720 NYAGLSWHWVSRCN-ZZUROMHPSA-N 452.352 4.061 50 10 JIGE C#CCCN1CCN(C(=O)/C(C#N)=C\c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)CC1 1584027581 APDWLTBGHJBOCT-ZHZULCJRSA-N 455.389 4.475 50 10 JIGE CC(=O)N1C[C@H](CI)[C@H](c2cc(Br)cc(Br)c2)C1 1614628840 XVDVJXBLSAJBMB-GWCFXTLKSA-N 486.973 4.209 50 10 JIGE CCCSc1ccccc1C(=O)NNC(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O 1865851746 IDKLRNPFNVGMBO-UHFFFAOYSA-N 478.599 4.088 50 10 JIGE C=CCN(CC=C)S(=O)(=O)c1ccc2nc(NC(=O)/C(C#N)=C/c3ccccc3)sc2c1 1865911552 QZIHTYCSVIPZOI-NBVRZTHBSA-N 464.572 4.205 50 10 JIGE CCC[C@H](NC(=O)C[C@H](c1ccccc1)c1nnc(C)o1)C(=O)Nc1ccc(SC#N)cc1 1867023981 ISEOTNGGKBTSDC-RTWAWAEBSA-N 463.563 4.397 50 10 JIGE Cc1nsc(Br)c1C(=O)N[C@H](CCBr)COCc1ccccc1 1902796175 JHKYKUBZQVKEAL-CYBMUJFWSA-N 462.207 4.314 50 10 JIGE O=C(N[C@@H](CCBr)C(F)F)c1ccc(I)c(Br)c1 1918519884 DZLQBEBTDIISAR-VIFPVBQESA-N 496.915 4.202 50 10 JIGE O=C(c1cccc(Br)c1Br)N1C[C@H](Br)[C@@H](Br)C1 2019463859 JEJSXFDQQYYEBC-IUCAKERBSA-N 490.815 4.194 50 10 JIGE C[C@@H]1C[C@H]1N(CCBr)C(=O)c1ccc(I)c(Br)c1 2048215650 FYIKCEMITYAWFC-PRHODGIISA-N 486.973 4.299 50 10 JIGE CCN(CC)S(=O)(=O)C[C@H](Br)c1cc(Br)cc(Br)c1 2089400043 KGSNERPSNKWPMA-LBPRGKRZSA-N 478.044 4.319 50 10 JIGE CN1CCN(Cc2cc(Br)ccc2Br)[C@H](CCBr)C1 2138085030 TWRXLBSNIIVIDX-CYBMUJFWSA-N 455.032 4.113 50 10 JIGE C[C@H]1Cc2cc([C@@H](Cl)c3cnn(C)c3I)cc(Br)c2O1 2146621711 PZTDSVPKVFXZQS-JVXZTZIISA-N 467.532 4.439 50 10 JIGE Cc1cc(S(=O)(=O)N(C)[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)ccc1CBr 2179788006 WORXIULDYYQCLR-XLIONFOSSA-N 451.430 4.173 50 10 JIGE CC1(C)CCCN(C(=O)c2ccc(F)cc2I)[C@@H]1CBr 2185809174 XZRBIVXJKLTDJL-CYBMUJFWSA-N 454.121 4.456 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1CC[C@H](CBr)C12CC2 2268352260 ZEVSDTWXSSGGQM-SNVBAGLBSA-N 454.533 4.334 50 10 JIGE O=C(c1c(F)cccc1I)N1C[C@@H]2CCC[C@H](C1)C2Br 2282793547 BEANHHCJYQBQCE-XFLKPENQSA-N 452.105 4.066 50 10 JIGE O=C(N[C@@]1(CBr)C[C@H]2CC[C@H]1C2)c1cc(I)ccc1F 2283920842 RTUJCMFCLQXNCU-AMJWSMQMSA-N 452.105 4.114 50 10 JIGE COC[C@@](C)(CCBr)NC(=O)Cc1cc(Br)cc(Br)c1 2295309764 NNINFOHESDRAKA-CQSZACIVSA-N 472.015 4.060 50 10 JIGE COC(=O)c1sc(NC=C(C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)c(C(=O)OC)c1C 2296203248 KXRCVNLHASMQKT-UHFFFAOYSA-N 483.527 4.459 50 10 JIGE CCOCCCNC(=O)C(C#N)=Cc1c(Oc2cc(C)ccc2C(C)C)nc2ccccn2c1=O 2296721723 GQGWXKRTCVYREF-UHFFFAOYSA-N 474.561 4.368 50 10 JIGE CC(C)(CI)CN1CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]1C(F)(F)F 2306816435 REXISPCMGMSHSK-NEPJUHHUSA-N 464.310 4.368 50 10 JIGE CCOc1ccccc1OCC(=O)Oc1ccc(C=C(C#N)C(=O)NCc2ccco2)cc1OCC 2314755139 VMRYPTURVBYPJE-UHFFFAOYSA-N 490.512 4.285 50 10 JIGE CC(C)(C)OC(=O)N1CCC(CI)(OCC2C[C@@H]3[C@@H](C2)C3(F)F)CC1 2320757588 WSJYJZOMYDBZBV-ZIAGYGMSSA-N 471.326 4.499 50 10 JIGE O=C(N[C@@H]1C[C@@H]2C[C@H]1C[C@H]2Br)c1ccc(Cl)c(I)c1 2334379759 KUIZOUVJXDKHLR-QISWUMQESA-N 454.533 4.236 50 10 JIGE O=C(c1ccc(F)cc1I)N1CC[C@@H]2CC[C@H](Br)[C@H]1C2 2355760795 KOLVOESMDZJAHD-DUFXMDAXSA-N 452.105 4.208 50 10 JIGE O=C(c1cc(I)ccc1F)N1CC[C@@H]2CC[C@H](Br)[C@H]1C2 2355761256 RHVKJRCRPZHMNH-DUFXMDAXSA-N 452.105 4.208 50 10 JIGE O=C(NCC(F)(F)C(F)(F)CBr)c1cc(Cl)ccc1I 2361683843 HJGANFORHAFWHG-UHFFFAOYSA-N 488.444 4.340 50 10 JIGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)N2CCOCC2)c1 35446829 UGQVLKVUTBBZLL-XLNRJJMWSA-N 456.546 4.484 50 10 JIGE COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@@H](C)Oc3ccccc3F)ccc21 38650036 XFHUFZKJTMSRAJ-MYYSRTQBSA-N 460.461 4.425 50 10 JIGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)c(OC)c1 38657034 NPMHMSSJQIAZIB-BZQUYTCOSA-N 490.487 4.434 50 10 JIGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4)ccc32)cc1OC 38658491 PCRMMIYTGFTYSF-SANMLTNESA-N 472.497 4.215 50 10 JIGE COC(=O)c1ccccc1N(C)C(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccccc1)CCC2 40803985 RPNDIMJIKVVFNL-ZXVVBBHZSA-N 459.502 4.122 50 10 JIGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1ccc(C)cc1C(C)(C)C 41014441 WTFKDXMTFRFVHV-RCCKNPSSSA-N 492.572 4.051 50 10 JIGE CCOc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OC)c(COc2ccccc2C(N)=O)c1 96438702 VOAVPLIXGNVHAX-RGEXLXHISA-N 471.513 4.317 50 10 JIGE CC(=O)Nc1cccc(N/C=C(/C#N)C(=O)Nc2ccc(I)cc2C)c1 217254088 QEWPWVFSSCESLF-KAMYIIQDSA-N 460.275 4.016 50 10 JIGE Cc1nn(-c2ccccc2)c(N(C)C)c1/C=N/NC(=O)c1ccc(NC(=O)c2ccccc2)cc1 253574173 SGJHCFNZHFKNRU-MTDXEUNCSA-N 466.545 4.263 50 10 JIGE O=C(CBr)c1cc(Br)c(I)cc1OC(F)F 575682289 OEQVMNDKKQXERP-UHFFFAOYSA-N 469.845 4.233 50 10 JIGE O=C(N[C@@H]1CCC[C@H](Br)C1)c1cc(Br)ccc1I 694518647 WSWOANQCIAAXAK-WCBMZHEXSA-N 486.973 4.490 50 10 JIGE O=C(N[C@@H](CBr)CC(F)F)c1cc(Cl)ccc1I 717778379 RNEIAEVYUVMSGI-SSDOTTSWSA-N 452.464 4.093 50 10 JIGE Cc1cc(/C=C(/C#N)C(=O)O[C@@H](C)C(=O)NCc2cccs2)c(C)n1-c1ccc(F)cc1 729350461 CHNQJXKXNICXMN-LSPINASFSA-N 451.523 4.450 50 10 JIGE Cc1cc(-c2cc(C(=O)NNC(=O)c3cccc4cccnc34)c3c(C)noc3n2)c(C)s1 729350548 JXGKLVUFXAWDBL-UHFFFAOYSA-N 457.515 4.500 50 10 JIGE O=C(NNC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc12)c1ccccc1NS(=O)(=O)c1cccs1 730769020 CUUNWJWOYJPBML-NHCUHLMSSA-N 491.594 4.267 50 10 JIGE CC(C)N(C(=O)COC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1)C(C)C 782091262 DUEONPJFSFOZEF-XDHOZWIPSA-N 467.957 4.213 50 10 JIGE O=C(NN=Cc1cccnc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 1083939933 BNWXHKHRPJFENH-UHFFFAOYSA-N 467.185 4.271 50 10 JIGE N#C/C(=C\c1cc(Br)cc(Br)c1O)C(=O)N1CCN(c2ccccc2)CC1 1083976607 MLUMUGDKIOCVKS-XNTDXEJSSA-N 491.183 4.173 50 10 JIGE O=C(COc1ccc2cc(Br)ccc2c1Br)NN=Cc1ccc[nH]1 1084115132 JKBPUGSILUBPHU-UHFFFAOYSA-N 451.118 4.222 50 10 JIGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccccc1OC)C(C#N)=C(N)O2 1865709754 GFSVGPBVGCYNJV-IBGZPJMESA-N 451.324 4.424 50 10 JIGE Cc1ccc(-c2ccc(C(=O)NNC(=O)Cc3ccc(Br)cc3)c(C)n2)cc1C 1865756101 GMIPTBMJUQCPQY-UHFFFAOYSA-N 452.352 4.440 50 10 JIGE N#C/C(=C(/O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1nc(-c2cccs2)cs1 1872750754 QECTZHRUWCDDHM-CYVLTUHYSA-N 494.019 4.496 50 10 JIGE CC[C@@H](C)[C@H](C(=O)Nc1sc(/C(C)=C/C#N)c(C)c1C(=O)OC)N1C(=O)c2ccccc2C1=O 1873428013 ICDMIJKWHYCSOI-JHABSUSBSA-N 479.558 4.419 50 10 JIGE C[C@H](CCBr)N(Cc1ccccc1)Cc1nn(C)cc1I 1890830940 YOTVXXSTGYAHKQ-CYBMUJFWSA-N 462.173 4.200 50 10 JIGE C[C@@H](Br)C(C)(C)CNS(=O)(=O)c1cc(Br)ccc1Br 1913846418 CIXSJBFBZXMLSM-MRVPVSSYSA-N 478.044 4.300 50 10 JIGE CC1(C)C[C@H](CBr)N(c2ncc(I)cc2Br)C1 2015763945 GOTKXWLZZGMHLR-SECBINFHSA-N 473.978 4.449 50 10 JIGE Cc1cccc(C(=O)N2CC[C@H](CBr)C(F)(F)C2)c1I 2146375525 OJCCZLLZMHVNEM-SNVBAGLBSA-N 458.084 4.092 50 10 JIGE O=S(=O)(c1ccc(CBr)cc1Cl)N1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2179787509 PXRRINLDYQTHOC-HDICACEKSA-N 469.832 4.272 50 10 JIGE C[C@H]1CN(Cc2ccccc2)C[C@@H](C)N(S(=O)(=O)c2ccccc2CBr)C1 2179809039 PHWTVAQEXFEGBH-ZWKOTPCHSA-N 451.430 4.113 50 10 JIGE CCOCc1cc(Br)c([C@H](Br)c2nn(C)nc2Br)s1 2226973811 DDOISIWWDFVHRB-MRVPVSSYSA-N 474.016 4.422 50 10 JIGE O=C(N[C@H]1C[C@H]2CC[C@H]1[C@H](Br)C2)c1c(F)cccc1I 2282810112 OUSSHDDOCQKAQJ-XHSYRHOGSA-N 452.105 4.112 50 10 JIGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Br)ccc1OC(C)=O 2297551462 LYFVJKSHJWREDS-UHFFFAOYSA-N 474.267 4.227 50 10 JIGE Cc1ccc(S(=O)(=O)Oc2ccc(C=C(C#N)C(=O)Nc3ccccc3)cc2)cc1[N+](=O)[O-] 2297551882 LIZMBWNYKXFXEH-UHFFFAOYSA-N 463.471 4.217 50 10 JIGE O=C(N[C@@H]1C[C@@H]2C[C@H]1C[C@@H]2Cl)c1ccc(I)c(Br)c1 2330905757 YEZNDRCAXWLBBK-LKAMGYQZSA-N 454.533 4.189 50 10 JIGE ClC[C@H](Cc1cccc(Br)c1)Cc1ncc(I)cn1 2353311479 LBUUCWWYUGKQQU-LLVKDONJSA-N 451.533 4.484 50 10 JIGE N#C/C(C(N)=O)=C1\S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(Br)cc1 2888346 CIOOGNNGWLECNH-ORMOWBNMSA-N 462.756 4.014 50 10 JIGE O=C(COc1ccccc1Cc1ccccc1)NNC(=O)c1cccc(OCc2cscn2)c1 16593104 IKHGDKVWHBVAGF-UHFFFAOYSA-N 473.554 4.153 50 10 JIGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc([N+](=O)[O-])c2)cc1 38653704 KGGOCAHFGHKDDR-QHCPKHFHSA-N 457.442 4.431 50 10 JIGE Cn1c(C(=O)NNC(=O)COc2ccccc2-c2ccccc2)c(Br)c2ccccc21 107908426 NJTXOYRVDRRNOX-UHFFFAOYSA-N 478.346 4.448 50 10 JIGE O=S(=O)(N[C@H]1CCCC[C@H]1Br)c1cc(Br)ccc1Br 136956665 OGOFDFLFKMKOJN-KOLCDFICSA-N 476.028 4.196 50 10 JIGE CCCCCCOc1c(OC)cc(/C=N\NC(=O)c2cccn(C(C)C)c2=O)cc1[N+](=O)[O-] 169919196 PPULALLMHOYAQK-IWIPYMOSSA-N 458.515 4.069 50 10 JIGE COc1ccc2ccccc2c1C=NNC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254865375 KANJPRBGNNAAJC-IVRQIVDTSA-N 493.519 4.498 50 10 JIGE COc1cc(C=NNC(=O)[C@@H](C)Oc2ccc(C)cc2Br)cc(Br)c1O 256017542 RQSYFXXJSGAWFG-LLVKDONJSA-N 486.160 4.152 50 10 JIGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)C2CCN(c3nc4ccccc4s3)CC2)c1 727293389 VYQGHGMQPCJOTP-UHFFFAOYSA-N 466.607 4.171 50 10 JIGE O=C(CSc1nnc(CCc2ccccc2)n1-c1ccccc1)NN=Cc1ccccc1F 1084216110 VORKDQJDEFVSAR-UHFFFAOYSA-N 459.550 4.434 50 10 JIGE O=C(CSCc1ccccc1)NN=Cc1cc(Br)cc(Br)c1O 1084383162 OFPLUCKRQWLVSP-UHFFFAOYSA-N 458.175 4.301 50 10 JIGE O=C(COc1ccc([N+](=O)[O-])cc1)NN=C1C(=O)N(Cc2cccc3ccccc23)c2ccccc21 1084445490 CGCRWTZEXPRODF-UHFFFAOYSA-N 480.480 4.194 50 10 JIGE O=C(CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)NNC(=O)c1ccc(Br)s1 1087356432 GLHZBZHJRPPKEP-QQJLWGBUSA-N 476.234 4.396 50 10 JIGE C=C(C)COCCNC(=O)NNC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1 1680166873 DIWYEHFDDLEXJJ-UHFFFAOYSA-N 459.546 4.469 50 10 JIGE Cc1cccc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)Nc3ccc(SC#N)cc3)cc2)c1 1858664118 QJBYEXLYTFXEBH-UHFFFAOYSA-N 480.571 4.009 50 10 JIGE CC[C@H](Br)C(=O)Nc1nc2ccc(S(=O)(=O)NC3CCCCC3)cc2s1 1859525565 SEJJNLLGSGUFKX-ZDUSSCGKSA-N 460.419 4.019 50 10 JIGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1cc(OC)ccc1OC)C(C#N)=C(N)O2 1865691828 CESISFTYPMXSCX-FQEVSTJZSA-N 481.350 4.433 50 10 JIGE COc1cc(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC(C)C)c1O 1865695451 CRGOVOYXTWRZHV-ZDUSSCGKSA-N 487.276 4.253 50 10 JIGE CCC[C@@H](NC(=O)CCSc1nnc(-c2ccccc2)n1C)C(=O)Nc1ccc(SC#N)cc1 1867074284 FBUGFYCGTPODID-HXUWFJFHSA-N 494.646 4.461 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@H]2CC[C@@]2(CCl)C1 1903930258 DPSBUAIBZDOILZ-YMTOWFKASA-N 454.533 4.145 50 10 JIGE O=C(c1cc(Br)sc1Br)N1C[C@@H](Br)C[C@@]2(CCCO2)C1 1924251579 MZKIDUMFVUAKDM-SDBXPKJASA-N 488.039 4.432 50 10 JIGE O=C1OC(=O)c2ccccc2C1=CNc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1 2042446588 PFQLNVQEIDUDHR-UHFFFAOYSA-N 454.891 4.291 50 10 JIGE CCOC(=O)c1cc(OC(F)(F)F)cc(CBr)c1I 2055268747 YNKQWHLVDZCRJJ-UHFFFAOYSA-N 452.992 4.261 50 10 JIGE Cc1cc(C)c(-n2nc(CBr)c(I)c2C(F)(F)F)cn1 2078932905 PVMSRCQKNBRYKD-UHFFFAOYSA-N 460.035 4.402 50 10 JIGE O=C(N[C@H]1C[C@H]2C[C@H]1C[C@@H]2Cl)c1cc(I)ccc1Br 2104402235 KVAKKPHNUJHYBG-HTEOGMQZSA-N 454.533 4.189 50 10 JIGE Brc1ccc(Br)c(CN2C[C@H]3COC[C@@H](C2)[C@H]3Br)c1 2132548985 ZFAAQQPQUZMXPQ-GNXNZQSNSA-N 454.000 4.053 50 10 JIGE Cc1cc(C(=O)N[C@](C)(CBr)C(F)(F)F)ccc1I 2142105740 FTIGGSUSXVZPBY-LLVKDONJSA-N 450.036 4.045 50 10 JIGE O=C(c1cc(I)sn1)N1CCC[C@]2(CBr)CCCC[C@H]12 2176540574 VWAARLVKNVPHFX-FZMZJTMJSA-N 469.186 4.308 50 10 JIGE Cc1ccc(S(=O)(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)cc1CBr 2179784890 FOMJTRPPAJWOTQ-HXUWFJFHSA-N 451.430 4.175 50 10 JIGE C[C@H]1C[C@@H](N(C)S(=O)(=O)Cc2cccc(CBr)c2)CN1Cc1ccccc1 2179786214 XFDFEPVQIXVUBY-LAUBAEHRSA-N 451.430 4.006 50 10 JIGE Cc1cc(C(=O)N2CC[C@H](CCBr)[C@H](C)C2)ccc1I 2207106665 YOJZQXOXAFWOHB-OLZOCXBDSA-N 450.158 4.483 50 10 JIGE Cc1ccc(C(=O)NC[C@H](Br)CC(F)(F)F)cc1I 2224630803 UUSOMBAQBHSCCZ-SECBINFHSA-N 450.036 4.045 50 10 JIGE CN([C@H](CBr)Cc1ccccc1)S(=O)(=O)[C@H]1C[C@H](OCc2ccccc2)C1 2296317383 JWDFUSORYDDKNA-ACRUOGEOSA-N 452.414 4.002 50 10 JIGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2Br)cc(Br)c1O 2297331631 LYTCNYGRXYQRSK-UHFFFAOYSA-N 452.102 4.471 50 10 JIGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)cc1 2314785797 NWEZQPHILWUTTK-FQEVSTJZSA-N 470.525 4.396 50 10 JIGE CCCCCOc1ccc(C=NNC(=O)c2cc(-c3ccc(F)cc3)nc(O)n2)cc1OC 2323702012 XONXIFFKRPGWKA-UHFFFAOYSA-N 452.486 4.330 50 10 JIGE BrCCCOC1CN(Cc2ccc(I)c(Br)c2)C1 2325234292 WDLFPHXRBKYFBL-UHFFFAOYSA-N 488.989 4.040 50 10 JIGE Clc1ccc(CN2C[C@@H](Br)C3(CCOCC3)C2)c(I)c1 2366738808 PZVMVEQQBDBHIY-CQSZACIVSA-N 470.576 4.321 50 10 JIGE Cn1ncc(I)c1-n1c(CCl)nc2c(Br)cc(F)cc21 2381866872 HGFNFMDJKPWJQZ-UHFFFAOYSA-N 469.483 4.004 50 10 JIGE CCc1ccc(OCC(=O)NNC(=O)c2cccc(OCCc3ccccc3)c2)c(Br)c1 10331636 UJJCSDHSNJGKCS-UHFFFAOYSA-N 497.389 4.473 50 10 JIGE CCCCOc1ccc(C(=O)NNC(=O)CCC(=O)Nc2ccc(C)cc2C)cc1Br 14041256 IPHDHNRPPFRGBD-UHFFFAOYSA-N 490.398 4.425 50 10 JIGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc32)cc1 38685745 YQTAFVVZNHTSRK-HSZRJFAPSA-N 457.442 4.431 50 10 JIGE N#CC1=C(N)Oc2cc(OC(=O)[C@@H]3COc4ccccc4O3)ccc2[C@H]1c1ccccc1Cl 38687600 FWFPIOZVCWSUJF-XZOQPEGZSA-N 460.873 4.304 50 10 JIGE CC(C)(C)CC(C)(C)NC[C@@H](O)COc1ccc(C(=O)N/N=C/c2c[nH]c3ccccc23)cc1 40571096 HRMDJMKTVWVPQG-BLTJSFDWSA-N 464.610 4.476 50 10 JIGE O=C(COc1ccccc1)NNc1ncnc(Nc2ccc(Oc3ccccc3)cc2)c1[N+](=O)[O-] 40659516 VHMVKEGOYROSQU-UHFFFAOYSA-N 472.461 4.443 50 10 JIGE COc1cc(/C=N/NC(=O)COc2ccc(Br)c(C)c2)cc(Br)c1OC 40911959 HOVCDRHKNZPIFB-ZVBGSRNCSA-N 486.160 4.066 50 10 JIGE CCOc1cc(C=NNC(=O)Cc2ccccc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 254295119 YAFVWBOJFADIBP-UHFFFAOYSA-N 464.434 4.387 50 10 JIGE CC[C@H](C)[C@@H](CO[C@@]1(CI)CCCN(C(=O)OC(C)(C)C)C1)OC 384786731 WJWOFEBDJGENJE-HDMKZQKVSA-N 455.377 4.269 50 10 JIGE Cc1ccc(C)c(C(=O)/C=C2\SC(=Nc3ccc(C(=O)CBr)cc3)NC2=O)c1 606657647 VWAGGLSUWSGQQB-GRSHGNNSSA-N 457.349 4.498 50 10 JIGE CCOc1cc(C=NNC(=O)NC(C)C)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 745012036 FSUZOEXGJIBIBH-UHFFFAOYSA-N 466.460 4.163 50 10 JIGE Cc1cc(C)c(C)c(S(=O)(=O)NC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)c1C 916801808 AVWHJSBJTIDBLR-HYARGMPZSA-N 487.585 4.110 50 10 JIGE Cc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 1084409529 FDEDQEXCNSGIQX-QFIPXVFZSA-N 453.926 4.410 50 10 JIGE Cc1cccc(C)c1N(CC(=O)NN=Cc1cc(C)n(-c2c(C)cccc2C)c1C)S(C)(=O)=O 1084577885 RUADSXVTPKHCAD-UHFFFAOYSA-N 480.634 4.244 50 10 JIGE C#CCC1(O)CCN(C(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)CC1 1644429520 WIVWBOLSXYWTHD-ZHZULCJRSA-N 455.480 4.397 50 10 JIGE Cc1c(C(=O)NNc2ccccc2)oc2c1C(=NNC(=O)c1ccc3ccccc3n1)CCC2 1772750875 AVJDALIKQXGDOU-UHFFFAOYSA-N 453.502 4.364 50 10 JIGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C#N)=C(N)O2 1865680666 ROIWOJXSALOPLE-IBGZPJMESA-N 467.323 4.217 50 10 JIGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3CC(C)C)cc(Br)c1O 1865687828 BCYKRDQITZAZNC-KRWDZBQOSA-N 461.360 4.186 50 10 JIGE COc1cc(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)c1O 1865697239 YDUDFXITMDERMZ-LJQANCHMSA-N 467.323 4.184 50 10 JIGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@@H](c2ccc(C(=O)O)cc2)C(C#N)=C(N)O3)cc1 1865708571 BMIFBBAVCQUARH-QFIPXVFZSA-N 464.481 4.464 50 10 JIGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865711582 BTEBHDUXBBHKIA-NRFANRHFSA-N 493.907 4.376 50 10 JIGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1cccc(OC)c1)C(C#N)=C(N)O2 1865712069 OXSCTIJGHWLIDD-LJQANCHMSA-N 451.324 4.424 50 10 JIGE COc1ccc(OC)c(-c2csc(/C(C#N)=C(\O)[C@H](C)N3C(=O)c4ccccc4C3=O)n2)c1 1873921087 UOJNSOMUNIBKIS-NAWWWVTNSA-N 461.499 4.305 50 10 JIGE COCCN1C[C@H](Cc2c(Br)cccc2Br)[C@@H](Br)C1 2100730970 NWHDRJZAXPTWIF-HZMBPMFUSA-N 456.016 4.096 50 10 JIGE O=C(c1sccc1I)N1C[C@@]2(CBr)CCC[C@]2(F)C1 2120127676 FXFYTRXWBHWXQE-STQMWFEESA-N 458.134 4.082 50 10 JIGE Brc1cccc(Br)c1CN1CC[C@]2(C[C@@H](Br)CO2)C1 2137146798 ATXNKSJFNWWALI-YGRLFVJLSA-N 454.000 4.340 50 10 JIGE O=C(NC[C@@H]1CCCC[C@@H](Br)C1)c1ccc(I)c(O)c1 2163745732 LFSIQVUQQYBHJK-ZYHUDNBSSA-N 452.130 4.070 50 10 JIGE CCn1cc(S(=O)(=O)N(Cc2ccccc2)[C@H]2COC(C)(C)C2)cc1CBr 2179787609 RFBAJKIBCIDIFN-GOSISDBHSA-N 455.418 4.161 50 10 JIGE CN1CCC(N(Cc2ccccc2)S(=O)(=O)c2cc(CBr)ccc2F)CC1 2179790003 YKFWDXYFOYWGGW-UHFFFAOYSA-N 455.393 4.006 50 10 JIGE CCN(CCC(F)(F)F)S(=O)(=O)c1cc(CBr)sc1Br 2179790342 CCJPTDWPSYQVGF-UHFFFAOYSA-N 459.147 4.369 50 10 JIGE O=S(=O)(c1csc(CBr)c1)N1[C@H]2CCC[C@@H]1CN(Cc1ccccc1)C2 2226319795 GSOJCLNIRPHSHM-CALCHBBNSA-N 455.443 4.071 50 10 JIGE C=CC[C@]1(CBr)CCCN1C(=O)c1ccc(F)cc1I 2287756486 WLDBFBULAJUXSH-OAHLLOKOSA-N 452.105 4.376 50 10 JIGE C[C@@H]1CN(C(=O)C(C#N)=C2NC(=NC(=O)c3ccc(Cl)cc3Cl)c3ccccc32)C[C@@H](C)O1 2296532767 YCXPLKUXWIZFDJ-ZIAGYGMSSA-N 483.355 4.054 50 10 JIGE N#CC(=Cc1cc(Br)cc(Br)c1O)C(=O)Nc1cccc([N+](=O)[O-])c1 2313518395 AMQIOTNKPGEDBF-UHFFFAOYSA-N 467.073 4.371 50 10 JIGE O=C(NCCSCCCCl)c1cc(I)ccc1Br 2314086138 YKEQWIQLPUQQEP-UHFFFAOYSA-N 462.578 4.146 50 10 JIGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OC)c(OC)c2)sc(C(=O)OC(C)C)c1C 2329703418 SKFAPRHHKAUVRK-UHFFFAOYSA-N 486.546 4.361 50 10 JIGE CC[C@@H](C)c1ccccc1O[C@H](C)C(=O)NNC(=O)c1ccc(OC)c(I)c1 9872078 HPZADGLCOIHARV-ZIAGYGMSSA-N 496.345 4.042 50 10 JIGE CCCCC(=O)Nc1ccc(C(=O)NNC(=O)COc2c(C)cc(Br)cc2C)cc1 13986873 PGBQCQDGJPPAJT-UHFFFAOYSA-N 476.371 4.035 50 10 JIGE CC(C)COc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2-c2ccccc2)cc1 14030546 WLSXFTONUZSHNL-UHFFFAOYSA-N 477.586 4.103 50 10 JIGE Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=O)c2ccc(OCC(C)C)c(Br)c2)c1 14652981 WRJWRFOXEGDCSD-UHFFFAOYSA-N 490.398 4.281 50 10 JIGE Cc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)Nc3ccc4c(c3)OCCO4)c(C)c21 40811573 DYMZNMYEALTMOI-TURZUDJPSA-N 459.502 4.390 50 10 JIGE COc1ccc(C(=O)NNC(=O)[C@@H](C)c2ccc(CC(C)C)cc2)cc1I 66199250 DHSMKGADOXPFNK-AWEZNQCLSA-N 480.346 4.063 50 10 JIGE CCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)cc1 206309232 QTYPGECFTNJGQG-HKWRFOASSA-N 491.573 4.229 50 10 JIGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\NCc1ccc(Cl)cc1 217253771 NWESPHWAIDOLBI-KAMYIIQDSA-N 451.695 4.389 50 10 JIGE COc1ccc(S(=O)(=O)N(CC(=O)NN=C(C)c2cccs2)c2ccc(Cl)cc2)cc1 252634986 WSSGIODWGKYWDI-UHFFFAOYSA-N 477.995 4.146 50 10 JIGE CCCOc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=C(C)c2ccc(O)cc2)cc1 254567786 ZVXSHMKEHOXEKB-GMYZUSBHSA-N 457.530 4.492 50 10 JIGE COC(=O)c1c(NC(=O)NN=Cc2ccc(OC)c(Br)c2)sc2c1CCCC2 256017571 UAXUNRMYPVOXLM-UHFFFAOYSA-N 466.357 4.340 50 10 JIGE FC(F)(F)c1cnc(N2C[C@H]3C[C@@H](Br)C[C@H]2C3)c(I)c1 709804003 OJCQTWIFAFDDPB-FXBDTBDDSA-N 461.063 4.457 50 10 JIGE O=C(N[C@@H](CBr)CC(F)(F)F)c1ccc(I)c(Cl)c1 717758763 JIGGLONGNQXTLI-SSDOTTSWSA-N 470.454 4.390 50 10 JIGE COc1cccc(C=NNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)c1 1083936618 RPNISQKCCXIRRH-UHFFFAOYSA-N 492.384 4.348 50 10 JIGE CC(=NNC(=O)CSc1nnc(CCc2ccccc2)n1-c1ccccc1)c1ccncc1 1084574314 BDDCTRMFTBUGIW-UHFFFAOYSA-N 456.575 4.080 50 10 JIGE Cc1c(C(=O)N2c3ccccc3C[C@H]2C)oc2c1C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772746279 AEBFSJSZJBRAFD-MRXNPFEDSA-N 486.528 4.487 50 10 JIGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(C(=O)OC)cc1)C(C#N)=C(N)O2 1865709704 ZUTYPXGLUVXXNV-FQEVSTJZSA-N 466.900 4.291 50 10 JIGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2cccc(Br)c2)sc2c1CCN(C)C2 1866131821 PFYMRVFUAIURSA-NTEUORMPSA-N 474.380 4.221 50 10 JIGE BrC[C@@H]1C=CCN1Cc1ccc(I)c(Br)c1 1904327683 PHLJCDFXILVFTC-JTQLQIEISA-N 456.947 4.189 50 10 JIGE O=C(c1csc(Br)c1Br)N1C[C@@H](Br)C(F)(F)C1 1946671088 SQVCYLQGWUNBIU-RXMQYKEDSA-N 453.928 4.128 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCC2 1985350012 KHAKLUHKGAQLEM-JKSUJKDBSA-N 461.694 4.318 50 10 JIGE CC[C@H](Br)CCNC(=O)c1ccc(Br)cc1I 2026218094 PHJWOZGMDRHPCC-QMMMGPOBSA-N 474.962 4.347 50 10 JIGE CN(C[C@H]1C[C@H](Br)C1)C(=O)c1ccc(Br)cc1I 2086148420 ACQCOQCWAWDAQH-CZMCAQCFSA-N 486.973 4.299 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@H](Br)[C@H](C2CC2)C1 2090685480 PITYOXDHPHHYFG-AAEUAGOBSA-N 498.984 4.299 50 10 JIGE BrC[C@@H]1C[C@H]2OCC[C@@H]2N1Cc1cccc(Br)c1Br 2092331910 ZHWXIVIFLTXLLI-WCFLWFBJSA-N 454.000 4.338 50 10 JIGE O=C(c1cc(I)ccc1Br)N1CCC(F)(CCl)CC1 2101306534 OPDPOOKDRXFRSN-UHFFFAOYSA-N 460.512 4.237 50 10 JIGE Cc1cc(S(=O)(=O)N(C)C[C@@H]2CCN(Cc3ccccc3)C2)sc1CBr 2123243197 GUCWFPVCCQPPNQ-KRWDZBQOSA-N 457.459 4.094 50 10 JIGE F[C@@H](CBr)C1CN(Cc2ccc(I)c(Br)c2)C1 2306226416 IPQOPZWZYSKNEA-NSHDSACASA-N 476.953 4.219 50 10 JIGE CC(C)(CI)CN1CC[C@H](NC(=O)OC(C)(C)C)C[C@H]1C(F)(F)F 2306819169 REXISPCMGMSHSK-RYUDHWBXSA-N 464.310 4.368 50 10 JIGE CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)NNC(=O)c1ccccc1Br 2313682064 ULASXWBVYDLJAH-UHFFFAOYSA-N 486.326 4.069 50 10 JIGE Cn1nc(Br)c(Br)c1C(=O)Nc1ccccc1CBr 2338859841 ILFMOSAMWYENSV-UHFFFAOYSA-N 451.944 4.092 50 10 JIGE CN(CC[C@@H](Br)c1cccs1)Cc1nn(C)cc1I 2341845584 YXGCCHNYYJKHBH-SNVBAGLBSA-N 454.175 4.044 50 10 JIGE COC[C@]1(CBr)C=CCN1Cc1c(Br)cccc1Br 2351706198 BWXRVEGPASIKRN-CQSZACIVSA-N 454.000 4.364 50 10 JIGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2CCS(=O)(=O)C2)c1Br 2365184315 OXNYJJNJYOFYNK-GZMMTYOYSA-N 491.039 4.399 50 10 JIGE COc1cc(Br)c(C(=O)N[C@H](CCCl)COCc2ccccc2)cc1OC 2369688267 XASMFEAAYKOQIQ-OAHLLOKOSA-N 456.764 4.410 50 10 JIGE Clc1ccc(I)cc1CN1C[C@@H]2CC[C@H](CBr)O[C@H]2C1 2380515444 PUIAGNWUHKQPJA-ZBINZKHDSA-N 470.576 4.319 50 10 JIGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(CCc4ccc(OC)cc4)c(=O)c32)cc1 2442341 KICOVZGGKOXPQK-DEOSSOPVSA-N 457.530 4.025 50 10 JIGE COc1ccc(CC(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 12492057 FVXZZNBNRCVSAV-UHFFFAOYSA-N 459.546 4.249 50 10 JIGE C/C(=N\NC(=O)CN1CCN(Cc2ccccc2Cl)CC1)c1ccc(Cl)cc1Cl 19849545 DENCZAUGJNMECS-MFKUBSTISA-N 453.801 4.305 50 10 JIGE CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)COc2cccc(C)c2C)ccc1O 20175743 YJVSIMDCJKATJT-JFLMPSFJSA-N 461.518 4.189 50 10 JIGE CC(C)CCc1nc(N2CCCN(C(=O)CCl)CC2)c2cnn(-c3cccc(Cl)c3)c2n1 34769127 DCNPZUPECMVFBW-UHFFFAOYSA-N 475.424 4.335 50 10 JIGE C[C@@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc([N+](=O)[O-])c1 38653892 KLBSYLRMAMOJOC-QKFKETGDSA-N 475.432 4.325 50 10 JIGE O=C(NNc1ncnc(Nc2cc(Cl)ccc2Cl)c1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 40646583 HECGJQOTLFAOOK-UHFFFAOYSA-N 464.225 4.100 50 10 JIGE CCOC(=O)N/N=C1\CCCc2oc(C(=O)Nc3ccc(I)cc3)c(C)c21 40825601 BSAAYYNCUUOYOT-HYARGMPZSA-N 481.290 4.231 50 10 JIGE Cc1cc(C)c(OCC(=O)N/N=C/c2cc3c(cc2Br)OCO3)c(Br)c1 97136626 WSPMQAKHLLFOOR-QPSGOUHRSA-N 484.144 4.086 50 10 JIGE Cc1cc(I)ccc1NS(=O)(=O)c1ccc(CBr)cc1 115918367 IBVIEHZAMCBDJS-UHFFFAOYSA-N 466.138 4.295 50 10 JIGE CN(C)c1ccc(C=NNC(=O)/C(=C\c2cccs2)NC(=O)c2ccccc2Cl)cc1 252611018 IGAYSYHWKZFYHG-HVHYMLJISA-N 452.967 4.389 50 10 JIGE COc1ccc([N+](=O)[O-])cc1-c1ccc(C=NNC(=O)c2cccc(I)c2)o1 252618098 LDSKQSDIMOPKBO-UHFFFAOYSA-N 491.241 4.232 50 10 JIGE COc1ccc(C(=O)NN=Cc2ccc(OS(=O)(=O)c3ccc4ccccc4c3)cc2)cc1 254828478 OFCNLKSSMGAYKV-UHFFFAOYSA-N 460.511 4.380 50 10 JIGE CC[C@H]1[C@H](CBr)CCN1S(=O)(=O)c1cc(Cl)c(Br)s1 385897500 ODRNBXFTBAIUHZ-CBAPKCEASA-N 451.633 4.348 50 10 JIGE BrCC(CBr)(CO[C@H]1CCOC1)c1cccc(Br)c1 388452504 YTBNDTMPPLTOMR-ZDUSSCGKSA-N 457.000 4.282 50 10 JIGE NNC(=O)c1cc(COc2c(Br)cc(Br)cc2Br)cs1 689154378 LZGGEZXLLNNHKH-UHFFFAOYSA-N 484.995 4.218 50 10 JIGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(C)n(-c3ccccc3C(=O)O)c2C)cc1 725443685 CYLNEFIKJTZOBD-DEOSSOPVSA-N 463.534 4.155 50 10 JIGE Cc1ccc(N(CC(=O)NN=Cc2c(F)cccc2Cl)S(=O)(=O)c2ccc(F)cc2)cc1 725444652 UUXXOAUMUFZLJF-UHFFFAOYSA-N 477.920 4.272 50 10 JIGE N#CCOc1c(Br)cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc1Br 1084269502 RUDDOPCNFOJCDJ-QGZVFWFLSA-N 495.171 4.078 50 10 JIGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCC#N)c(Cl)c2)cc1 1084348407 QXEZGGFKVBNUFT-IBGZPJMESA-N 450.322 4.258 50 10 JIGE C#CCOc1c(CC=C)cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1OCC 1084603451 GYIOLGHDIDHUMP-DEOSSOPVSA-N 464.562 4.188 50 10 JIGE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NNc2cc(OC)ccc2Br)cc1 1310195644 AQICYYHVJVOHNO-UHFFFAOYSA-N 459.344 4.421 50 10 JIGE C#Cc1ccc(NC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(OC)c(OC)c2)cc1 1558728092 OENCDTYEABEGRR-ZHZULCJRSA-N 451.486 4.008 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Br)cc2)[C@@H]1c1ccncc1 1865699863 FAUCERDSSLPQFW-CQSZACIVSA-N 462.229 4.267 50 10 JIGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@@H](c2cccnc2)C(C#N)=C(N)O3)cc1 1865700627 ZMLWMPZBBKMFBB-QFIPXVFZSA-N 453.477 4.359 50 10 JIGE Cc1nn(Cc2ccccc2F)c2c1[C@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865702127 NJSCBBSDQSHBET-LJQANCHMSA-N 457.278 4.499 50 10 JIGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(C)cc2)c(OC)c1 1865708378 VRGKPLUXYDEFST-IBGZPJMESA-N 470.451 4.494 50 10 JIGE CC[C@](C)(NC(=O)c1cc(-c2cc(F)ccc2OC)n(C)n1)C(=O)Nc1ccc(SC#N)cc1 1867106287 UQYFQHSBUZBXJW-DEOSSOPVSA-N 481.553 4.345 50 10 JIGE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)Cc1ccc(CBr)cc1 1985933283 VZMIGSIMDFJMJO-UHFFFAOYSA-N 486.451 4.433 50 10 JIGE BrCC[C@H]1CCCN(c2ncc(I)cc2Br)C1 2015756665 JDCSVHCYVMZKSY-SECBINFHSA-N 473.978 4.450 50 10 JIGE C[C@@H](Br)C[C@@H](C)NC(=O)c1ccc(Br)cc1I 2026218909 UEJKMVRKFRFCAU-HTQZYQBOSA-N 474.962 4.346 50 10 JIGE O=S1(=O)CCC([C@@H](Br)c2cc(Br)ccc2Br)CC1 2029376989 MCEXTIAIVGLUGC-GFCCVEGCSA-N 461.013 4.472 50 10 JIGE CC1(C)C[C@H](NC(=O)Cc2ccccc2I)C[C@H](Br)C1 2143873403 RCMOUDWVLIHWQE-QWHCGFSZSA-N 450.158 4.292 50 10 JIGE CC(C)N(CCOCCBr)C(=O)c1c(Br)cccc1Br 2150490209 FYUZFQPZPSQJKP-UHFFFAOYSA-N 472.015 4.474 50 10 JIGE O=C(c1cccc(F)c1I)N1C[C@H]2CCC[C@]2(CBr)C1 2159403916 FPQXKPDGMOHKAH-BMIGLBTASA-N 452.105 4.068 50 10 JIGE CN(C(=O)c1cc(I)ccc1O)[C@H]1CCCCC[C@@H]1Br 2172548176 RYXJENMWMATOQR-STQMWFEESA-N 452.130 4.165 50 10 JIGE C[C@H]1[C@@H](C)N(S(=O)(=O)c2ccc(CCBr)s2)C[C@@H](C)N1Cc1ccccc1 2179823524 KPNSBXMAPSEPEM-IXDOHACOSA-N 471.486 4.358 50 10 JIGE CC(C)(C)[C@@H]1[C@@H](Br)CCN1C(=O)c1cc(I)ccc1O 2185100805 SXKVDEQUTOEAMK-AAEUAGOBSA-N 452.130 4.021 50 10 JIGE C[C@H](Br)c1cnnn1-c1ccc(Br)cc1I 2212573948 HBDKVTRMKIIJLR-LURJTMIESA-N 456.907 4.090 50 10 JIGE CN(c1ncc(I)cc1Br)[C@H](CBr)CC1CC1 2213809637 JFAINYCNSQSLQM-JTQLQIEISA-N 473.978 4.449 50 10 JIGE Cc1ccc(C(=O)NCC2(CBr)CC(F)(F)C2)cc1I 2281651496 QHZLIIUPFVGEQJ-UHFFFAOYSA-N 458.084 4.140 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@H]2[C@@H](Br)CC[C@H]2C1 2295307915 QPBGGIDCMDPBFK-GDLCADMTSA-N 466.011 4.386 50 10 JIGE Cc1cccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)NCCc2ccccc2)c1 2314436852 PKZAMBMGRMDPPU-UHFFFAOYSA-N 450.498 4.061 50 10 JIGE CC(C)c1cc(Br)ccc1OCC(=O)NNC(=O)Cc1cccc2ccccc12 9231628 MPIZCAZLTWTEBQ-UHFFFAOYSA-N 455.352 4.495 50 10 JIGE Cc1ccc(NC(=O)CCC(=O)NNC(=O)[C@H](C)Oc2c(C)cc(Br)cc2C)c(C)c1 14643098 MLLPUKNGMZGYIR-KRWDZBQOSA-N 490.398 4.016 50 10 JIGE CCCCCN1C(=O)/C(=N/NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)c2cc(OC)ccc21 33959380 MGCVCXBCZRCXBN-RAFCBBKXSA-N 457.958 4.482 50 10 JIGE O=C(CCCCCN1C(=O)/C(=C/C=C\c2ccccc2)SC1=S)NNC(=O)c1ccccc1O 34990393 OPGZOGRCWFHDQU-QZYWLCDYSA-N 495.626 4.171 50 10 JIGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)c(OC)c1 38656932 AYSNWIOEIUBFTE-QHCPKHFHSA-N 473.441 4.049 50 10 JIGE Nc1c(NNC(=O)COc2ccc(Cl)cc2Cl)ncnc1Nc1ccc(Br)cc1 40782280 FKOHNPMSEIPLPJ-UHFFFAOYSA-N 498.168 4.394 50 10 JIGE COc1cc(/C=N/NC(=O)CC[C@H](O)c2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1 58887301 FJQJQTTYZNJXRR-SYOQMXFQSA-N 463.490 4.146 50 10 JIGE CCCC[C@@H](CC)COc1cc(C(=O)NN)c(OC[C@H](CC)CCCC)cc1C(=O)NN 59833122 DJNJETPKQAHXHJ-QZTJIDSGSA-N 450.624 4.084 50 10 JIGE Cc1c(/C=C(/C#N)S(=O)(=O)c2cc(Br)ccc2Br)cc(C#N)n1C 96792483 WMXAFJGHJPHWEJ-NSIKDUERSA-N 469.158 4.069 50 10 JIGE O=C(CSc1nnnn1-c1ccccc1)NN=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 254489178 AJRILOSMNXKGHB-UHFFFAOYSA-N 472.452 4.184 50 10 JIGE COc1cc(C=NNC(=O)CSc2nc3ccccc3s2)cc(Br)c1OC 254506349 XONRJXPCHOUSRD-UHFFFAOYSA-N 466.382 4.318 50 10 JIGE Cc1cccc(C)c1OCC(=O)NN=C1C(=O)N(CN2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c2ccccc21 254524459 RBTZDZVPVXDIFQ-PBBNMVCDSA-N 488.632 4.407 50 10 JIGE O=C(NC[C@@]1(CBr)CCCOC1)c1cc(Br)ccc1Br 700910168 BKVFIUSYGZHBFO-AWEZNQCLSA-N 469.999 4.133 50 10 JIGE C[C@@H](OC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1)C(=O)NCc1cccs1 729618489 BRTVVOOLVSVOGV-UWCCDQBKSA-N 493.976 4.334 50 10 JIGE CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)NNC(=O)c1sc(-c3ccccc3)nc1C)O[C@@H](C)C2 730514612 BHZGRGKTYXSCCP-DCPHZVHLSA-N 477.586 4.405 50 10 JIGE COCc1cccc(CNC(=O)COC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(F)cc3)c2C)c1 918956763 DITLFCDRZWYBBW-YDZHTSKRSA-N 475.520 4.146 50 10 JIGE C=CCn1c(SCC(=O)NN=Cc2ccccc2OCc2ccccc2)nnc1-c1cccnc1 1084028487 BUAGDFNNGAZIMP-UHFFFAOYSA-N 484.585 4.348 50 10 JIGE Cc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865696652 PLOOIHBYPLJYPZ-IBGZPJMESA-N 455.287 4.065 50 10 JIGE CN(Cc1nn(C)cc1Br)c1ccc(CBr)cc1Br 1912462751 OVTINCNKDSDMFA-UHFFFAOYSA-N 451.988 4.476 50 10 JIGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)Cc1cccc(Br)c1 1916384790 DNMIRGSOKIYVLQ-GOSISDBHSA-N 455.190 4.430 50 10 JIGE O=C(N[C@@H](CCBr)C(F)F)c1csc(Br)c1Br 1918538956 RDFJPTXPERRLMR-YFKPBYRVSA-N 455.944 4.422 50 10 JIGE O=C(N[C@@H](CBr)C[C@H]1CCCO1)c1ccc(I)c(Cl)c1 1926733315 WKVOAOAKZQYKPY-GHMZBOCLSA-N 472.548 4.007 50 10 JIGE CC(C)(C)OC(=O)N1CCC(CI)(OC[C@@H]2CCCCCO2)CC1 1947245432 JTNBKHYQVURFIZ-HNNXBMFYSA-N 453.361 4.167 50 10 JIGE O=C(NC[C@@H](Br)CBr)c1cccc(Br)c1Br 1981565228 LQJJGTFBJVZVBX-LURJTMIESA-N 478.804 4.100 50 10 JIGE O=C(Nc1ccc(I)cc1Br)[C@H]1C[C@H](Br)C1 1991422525 YFACNGAULIRLTR-LJGSYFOKSA-N 458.919 4.166 50 10 JIGE O=C(N[C@@H]1CC[C@H](Br)C1)c1cc(I)ccc1Br 2008594129 LXUWMNTZOCZFGT-IONNQARKSA-N 472.946 4.100 50 10 JIGE CN(C[C@H](Br)COCc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1F 2057408509 TYIQBAUMAHKYQV-AWEZNQCLSA-N 450.757 4.080 50 10 JIGE O=C(CBr)c1cc(I)cc(I)c1Cl 2060093754 DFEYXBIUMAAERG-UHFFFAOYSA-N 485.284 4.127 50 10 JIGE C[C@@H]1C[C@@H](Br)CN(C(=O)c2ccc(Br)cc2I)C1 2086151634 QLLCIUNLGQRXPV-PSASIEDQSA-N 486.973 4.299 50 10 JIGE O=C(c1cccc(Br)c1Br)N1C[C@@H]2CC[C@H](C1)C2Br 2111478943 BPSAGMPDBGJPCI-USUYBEQLSA-N 451.984 4.457 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CC[C@@H](Br)[C@H]1C1CC1 2130627752 OESCYMWMSDPEMI-ZWNOBZJWSA-N 498.984 4.442 50 10 JIGE O=C(NC[C@]1(F)C[C@H](CCl)C1)c1ccc(Br)cc1I 2142289463 ZRXFYFJBQKVBFS-XCSCGOTBSA-N 460.512 4.141 50 10 JIGE CCN1CCC[C@H]([C@H](Cl)c2cc(I)ccc2Br)S1(=O)=O 2145776821 XTBCJKOKEBEJDC-CHWSQXEVSA-N 492.604 4.148 50 10 JIGE O=S(=O)(N[C@H]1CCC[C@H]1CCBr)c1cc(Br)ccc1Br 2146773615 OPCBWNGMILXIRY-CABZTGNLSA-N 490.055 4.444 50 10 JIGE Cc1cc(S(=O)(=O)N(C)C[C@H]2CCN(Cc3ccccc3)C2)ccc1CBr 2179784602 BFJHBQIBHBBVQE-LJQANCHMSA-N 451.430 4.033 50 10 JIGE Cc1sc(CBr)cc1S(=O)(=O)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 2179810265 CSJBWPQVEZEJJD-MSOLQXFVSA-N 469.470 4.094 50 10 JIGE CN(Cc1sccc1Br)S(=O)(=O)c1ccc(CCBr)s1 2179820614 ZTXCTYBVPVQNLZ-UHFFFAOYSA-N 459.250 4.330 50 10 JIGE Cc1oc(CBr)cc1S(=O)(=O)N1C[C@H](C)N(Cc2ccccc2)[C@H](C)[C@H]1C 2179820617 ZUURAWKCBINZQM-ARFHVFGLSA-N 455.418 4.155 50 10 JIGE CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@H]1C[C@H]1Br 2241636735 GPSFCSPCUQORCG-JLTOFOAXSA-N 457.368 4.203 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@@]12CC[S@@](=O)(=NCC1(CBr)CC(F)C1)C2 2265632547 NRSIGIZRBWLJCP-YRWKKXAHSA-N 453.418 4.141 50 10 JIGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCC(CCCCBr)CC1 2283126693 KJCBAFDHPCZFDM-UHFFFAOYSA-N 499.471 4.060 50 10 JIGE COc1ccccc1C=C(C#N)C(=O)Oc1ccc(C=C(C#N)C(=O)NCc2ccccc2)cc1OC 2314736937 CHISHYKHNSMENG-UHFFFAOYSA-N 493.519 4.440 50 10 JIGE COc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(Cl)cc1 2314737477 OACZPDBHDQWTPG-UHFFFAOYSA-N 466.877 4.149 50 10 JIGE O=C(Cn1c(O)nc2ccccc2c1=O)NN=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 2328792456 DPSLRIVAUIIOHJ-UHFFFAOYSA-N 497.338 4.138 50 10 JIGE O=C(c1sccc1I)N1CC[C@H](Br)C[C@H]1C(F)(F)F 2336330731 WZVFHIUTQGTFTP-XPUUQOCRSA-N 468.076 4.283 50 10 JIGE BrC[C@@H]1CCC2(CN(Cc3c(Br)cccc3Br)C2)O1 2336705436 VQQTWDSVAYLHQH-JTQLQIEISA-N 454.000 4.340 50 10 JIGE O=C(c1csc(I)c1)N1CCC[C@@H](Br)[C@H]1C(F)(F)F 2344129923 ZNGYHSUEMFPCOP-APPZFPTMSA-N 468.076 4.283 50 10 JIGE CC1(C)C[C@@H](Br)CCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2364202945 YQWRXMIVIMBEEL-KRWDZBQOSA-N 499.471 4.058 50 10 JIGE COc1ccc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)cc1Cn1nc(C)c(Br)c1C 2946064 YFMUONWFXSCYFG-BRJLIKDPSA-N 498.381 4.042 50 10 JIGE COc1ccc(Cl)c2sc(NNC(=O)c3ccc(S(=O)(=O)N4CCCC[C@H]4C)cc3)nc12 9447714 FVVLUTZEPUXOAW-CYBMUJFWSA-N 495.026 4.278 50 10 JIGE COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1sc2ccccc2c1Cl 9696109 QGNLBSJSLWGUIM-UHFFFAOYSA-N 498.811 4.275 50 10 JIGE CC[C@H](C)c1ccccc1O[C@@H](C)C(=O)NNC(=O)c1ccccc1I 9871075 YLMBSPPROKSLBM-KBPBESRZSA-N 466.319 4.033 50 10 JIGE CC(C)COc1cccc(C(=O)NC(=S)NNC(=O)COc2ccccc2-c2ccccc2)c1 10283006 OBKDYLBQNNLOGX-UHFFFAOYSA-N 477.586 4.103 50 10 JIGE CC[C@@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c1 10671389 CPLFFJCVSCATBB-CHWSQXEVSA-N 484.405 4.274 50 10 JIGE O=C(COc1ccc(Cl)cc1)NNC(=O)COc1ccc(-c2ccccc2)cc1Br 14642147 HWIBBPBOSDMCBP-UHFFFAOYSA-N 489.753 4.375 50 10 JIGE Cc1cc(Br)cc(C)c1O[C@H](C)C(=O)NNC(=O)COc1ccc(C(C)C)cc1 14643005 QNVOZEDHUYRWIB-MRXNPFEDSA-N 463.372 4.183 50 10 JIGE COc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)NCCc2ccccc2)cc1 35405115 PPCZQCBPCQZVQY-FXBPSFAMSA-N 480.524 4.070 50 10 JIGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)cc1 38658048 OKEKVILCTGSDRA-AREMUKBSSA-N 499.479 4.362 50 10 JIGE O=S(=O)(N[C@@H]1CCC[C@H]1Br)c1c(Cl)cc(Br)cc1Cl 122347481 PBCNKZXYKBLUNO-GMSGAONNSA-N 451.995 4.350 50 10 JIGE O=C(NC1(CBr)CCCC1)c1cc(Br)ccc1I 232475887 VNSZUPIUNMULJS-UHFFFAOYSA-N 486.973 4.491 50 10 JIGE CC[C@](C)(CBr)NC(=O)c1cc(I)ccc1Br 234115740 UQFGFBQJFYGQIC-GFCCVEGCSA-N 474.962 4.347 50 10 JIGE CN(C(=O)c1cc(Br)ccc1I)C(C)(C)CBr 234249309 CBBKIEQCKLGZGX-UHFFFAOYSA-N 474.962 4.299 50 10 JIGE COc1ccc(N2C[C@H](C(=O)NN=Cc3ccccc3OCc3ccccc3Cl)CC2=O)cc1 252592233 BDVJOXKNKZLJAY-HXUWFJFHSA-N 477.948 4.431 50 10 JIGE COc1cc(C=NNC(=O)c2ccccc2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 252621772 NGJCOAVBIGXSEM-UHFFFAOYSA-N 458.923 4.189 50 10 JIGE CC(=O)c1ccccc1NC(=O)[C@@H](C)OC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1 729344496 IDTLRFDXCGDPEK-DDNKWHRWSA-N 481.512 4.144 50 10 JIGE CC(C)(CNC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1)c1ccc2c(c1)OCCO2 746875186 AOLIUCUUEICNMF-RCCKNPSSSA-N 481.556 4.236 50 10 JIGE CC(=O)Oc1ccc(-n2c(C)cc(C=NNC(=O)C(O)(c3ccccc3)c3ccccc3)c2C)cc1 1084473469 IERUWTXHSSVUIY-UHFFFAOYSA-N 481.552 4.406 50 10 JIGE C#CCC(C)(C)C(=O)NNc1c(Br)cc(Br)cc1Br 1126409996 BJMOOIFYEPOQPH-UHFFFAOYSA-N 452.972 4.467 50 10 JIGE CC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)NNc3ccc(C)cc3Cl)cc2)cc1 1556646016 IOSSATPWPGKJOK-UHFFFAOYSA-N 457.939 4.409 50 10 JIGE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1cc(OC)c(OC)c(OC)c1)C(C#N)=C(N)O2 1865693445 VNDMRDVEKPTQLW-OAQYLSRUSA-N 480.952 4.391 50 10 JIGE CC[C@@H]1CN(c2ncc(I)cc2Br)C[C@H]1CBr 1911469959 ZZSDUJIEOHAMCC-RKDXNWHRSA-N 473.978 4.306 50 10 JIGE O=C(N[C@H]1CC[C@H](CBr)C1)c1cc(Br)ccc1I 2029539133 YWXORFFYEFFTHY-WPRPVWTQSA-N 486.973 4.347 50 10 JIGE Cc1nn(Cc2ccccc2)c(C)c1C(=O)OCC(=O)C(C#N)=C1Sc2ccccc2N1C 2053606864 VHIALRFDSIRHSA-UHFFFAOYSA-N 458.543 4.251 50 10 JIGE CC(C)(C)OC(=O)N1CCC(CI)(O[C@@H]2CCOC3(CCC3)C2)CC1 2076740670 JYCKOIIVBDDNGI-OAHLLOKOSA-N 465.372 4.309 50 10 JIGE CN(C(=O)c1ccc(Br)cc1I)C1(CBr)CCC1 2086148346 ZIUAXAHMXQEAIU-UHFFFAOYSA-N 486.973 4.443 50 10 JIGE CN(Cc1ccccc1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)c(CBr)c2)C1 2179785636 OWEHXWSIRCPFCV-SFHVURJKSA-N 455.393 4.006 50 10 JIGE CCCCn1ncc(NCCSSCCNC(=O)OC(C)(C)C)c(Br)c1=O 2181743463 PKIZVBTXVSXGQY-UHFFFAOYSA-N 481.482 4.124 50 10 JIGE CC(C)(C)OC(=O)N1CCC(CI)(O[C@@H]2CC[C@H]3[C@H]2C3(F)F)CC1 2216650560 IHZWZLLZTRZNOV-YNEHKIRRSA-N 457.299 4.251 50 10 JIGE N#CC(=Cc1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 2297531579 SCASWGQCMLLMFO-UHFFFAOYSA-N 462.314 4.446 50 10 JIGE CCOc1ccc(C=C(C(=O)N2CCC[C@@H](C(=O)NNc3ccccn3)C2)c2ccccc2)cc1 2328569354 DVYBTNLIBSBELO-HSZRJFAPSA-N 470.573 4.403 50 10 JIGE COc1ccc(C=NNC(=O)[C@H](C)NC(=O)OC(C)(C)C)cc1OCc1ccccc1Cl 2328794989 ULWCPBYJLCBXEW-HNNXBMFYSA-N 461.946 4.291 50 10 JIGE COc1ccc(C=NNC(=O)COc2ccc3c(C)cc(=O)oc3c2)cc1OCc1ccccc1 2328804119 NMBOIZVDSIYKGP-UHFFFAOYSA-N 472.497 4.218 50 10 JIGE Cc1csc(CBr)c1S(=O)(=O)N1CC[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2355843298 LWWCRHPQPFNUJC-ZWKOTPCHSA-N 469.470 4.379 50 10 JIGE CN([C@H]1CCCCC[C@H]1Cl)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364213124 FGHVPWNGDVVDEZ-UXHICEINSA-N 455.020 4.045 50 10 JIGE C/C(N)=C(/C#N)C(=O)COC(=O)c1cc(-c2cccc(Br)c2)nc2ccccc12 9373588 PSCDFTXFXXANJX-QGOAFFKASA-N 450.292 4.146 50 10 JIGE CC[C@@H](Oc1ccc(C)cc1)C(=O)NNC(=O)COc1ccc(C(C)C)cc1Br 14013977 IPJZXXRJZNCPRB-LJQANCHMSA-N 463.372 4.265 50 10 JIGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(Br)cc2)cc1 100445943 LMAAJYWMZZUNGR-UHFFFAOYSA-N 452.308 4.085 50 10 JIGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)S/C2=C(/C#N)C(=O)NC)cc1 101240466 WMHNENLHMNLSEV-ODXGNSPJSA-N 470.392 4.184 50 10 JIGE CCCOc1cc(/C=N\NC(=O)c2cccn(Cc3cccc(Cl)c3)c2=O)ccc1OC 169920652 PTBJDURBYJKFOC-YSMPRRRNSA-N 453.926 4.111 50 10 JIGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)/C=C\c2ccc(OCC)cc2)cc1 206829672 QAQOWYZPURABSK-YVLHZVERSA-N 469.607 4.393 50 10 JIGE CCCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C(C#N)=C/c2ccc(OC)cc2)c(OC)c1 207130284 YFZSZHURWSPOIJ-GYYIQJFNSA-N 459.502 4.040 50 10 JIGE O=C(N[C@@H]1CCC[C@H]1Br)c1cc(I)ccc1Br 232454497 ZADMPSYWNDBWHV-GHMZBOCLSA-N 472.946 4.100 50 10 JIGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)c2ccc(O)cc2O)cc1OC 254703948 YHOZMOOGCNLZGJ-UHFFFAOYSA-N 486.480 4.251 50 10 JIGE COc1ccc(N(CC(=O)NN=C(C)c2cc(C)ccc2C)S(=O)(=O)c2ccccc2)cc1 254837756 PTBACTPDNMPMFX-UHFFFAOYSA-N 465.575 4.048 50 10 JIGE C[C@H](CBr)[C@@H]1CCCCN1C(=O)c1cccc(F)c1I 721696410 FQPBMOGQQHQPPD-MFKMUULPSA-N 454.121 4.456 50 10 JIGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)NN=Cc1ccccc1[N+](=O)[O-] 1084109242 DHCNTBIATMHHBE-OAHLLOKOSA-N 499.984 4.269 50 10 JIGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)cc1O)C(C#N)=C(N)O2 1865681051 DAACDYDIFAWGHG-LJQANCHMSA-N 457.317 4.430 50 10 JIGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@@H](c2cccn2C)C(C#N)=C(N)O3)cc1 1865699220 NRSAMSOKSGWSCY-JOCHJYFZSA-N 455.493 4.303 50 10 JIGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(C)cc2)cc1 1865708507 AJWOWDQEISCKNM-QGZVFWFLSA-N 454.408 4.204 50 10 JIGE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1c(C(=O)O)[nH]c2ccc(Cl)cc12 1873793613 SMXMDDHZIURIQA-JMJNUIHMSA-N 484.940 4.106 50 10 JIGE O=C1c2ccccc2C(=O)N1CCc1nccn1-c1ccc(CBr)cc1Br 1913030804 PQWSHIFFXINJMK-UHFFFAOYSA-N 489.167 4.368 50 10 JIGE O=C(CCCC[C@H]1CCSS1)NCCN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S 2040500010 VAGKMSIUXIEINF-HNNXBMFYSA-N 496.701 4.447 50 10 JIGE C[C@@](CBr)(NC(=O)c1ccc(I)c(Br)c1)C(F)F 2043167701 CAXLVVRMAPTJOW-NSHDSACASA-N 496.915 4.202 50 10 JIGE C[C@]12CN(C(=O)c3ccc(Br)cc3I)C[C@@]1(CCl)C2 2142285540 QPTIHIWHPAZHHJ-KBPBESRZSA-N 454.533 4.145 50 10 JIGE CC1(C)C[C@@H](N(Cc2ccccc2)S(=O)(=O)Cc2cccc(CBr)c2)CO1 2179785922 SFBVFAJXJGPVKS-HXUWFJFHSA-N 452.414 4.481 50 10 JIGE CC(C)(C)OC(=O)NC[C@]1(C(F)(F)F)CCCN1CCCCI 2243589980 XNSSHZOAQFTHSQ-AWEZNQCLSA-N 450.283 4.123 50 10 JIGE CCS(=O)(=O)C[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2260005505 ILMGBSFBJFLEJH-ZCFIWIBFSA-N 470.955 4.361 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1C[C@@H]2[C@@H](CBr)C[C@H]2C1 2268345761 OEJJZJBSNXAGNQ-OUAUKWLOSA-N 454.533 4.048 50 10 JIGE O=C(N[C@H](CBr)[C@H]1CC=CCC1)c1c(F)cccc1I 2282768809 ZSYDFSRMJCGLGQ-GXFFZTMASA-N 452.105 4.280 50 10 JIGE COc1ccccc1NC(=O)C(C#N)=Cc1cc(Br)c(O)c(Br)c1 2294171843 CMYGVSKBDMWXOA-UHFFFAOYSA-N 452.102 4.471 50 10 JIGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H](CCBr)C1CCCC1 2364218298 YNPWNKNHWHVQHP-HXUWFJFHSA-N 499.471 4.106 50 10 JIGE CC(C)(C)c1ccc(OCC(=O)NC(=S)NNC(=O)C(c2ccccc2)c2ccccc2)cc1 13976396 YRUIVLZHVMONJV-UHFFFAOYSA-N 475.614 4.217 50 10 JIGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)/C=C/c3ccc(Cl)cc3)cc2)c1 14833993 VGKJCQKRRQBCQF-VGOFMYFVSA-N 492.988 4.250 50 10 JIGE CC(C)(C)c1cc(/C=N\NC(=O)CN2CCN(Cc3ccccc3)CC2)cc(C(C)(C)C)c1O 33097046 UTMQCYDMGOEHDI-MIXAMLLLSA-N 464.654 4.255 50 10 JIGE COc1ccc(CN2C(=O)[C@@H]3CCCN3c3ccc([N+](=O)[O-])cc3/C2=C(/C#N)NC(C)(C)C)cc1 102703375 HJUHSPAICCZAIF-BUANBSPESA-N 475.549 4.195 50 10 JIGE COc1cc(/C=C(/C#N)C(=O)NC(C)C)ccc1OC(=O)COc1ccccc1C(C)(C)C 206406319 PYGQYNNDICXRSS-UYRXBGFRSA-N 450.535 4.409 50 10 JIGE O=C(N[C@H]1CCC[C@@H]1CBr)c1cc(I)ccc1Br 231571890 JMMGWBZDWCMVIG-PELKAZGASA-N 486.973 4.347 50 10 JIGE O=C(NC[C@@H]1CCC[C@H]1CBr)c1ccc(I)c(Cl)c1 232349436 FCNDZCCCCPPMDK-QWRGUYRKSA-N 456.549 4.486 50 10 JIGE C[C@H](CCBr)CNC(=O)c1cc(I)ccc1Br 235439285 VZJAALQIKGLBBQ-MRVPVSSYSA-N 474.962 4.205 50 10 JIGE COc1cccc2c1OCC[C@H]2NC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1 725743011 CBOKNNMYGVFPGA-JIKIWWBOSA-N 453.502 4.019 50 10 JIGE C#CCOc1ccc(F)cc1NC(=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1 1310371317 KLEUFWIXXXWVQC-UHFFFAOYSA-N 451.429 4.022 50 10 JIGE C[C@@H]1Cc2ccccc2N1Cc1ccoc1C(=O)NNC(=O)c1ccc(Br)cc1 1318299501 QTELDDOHTNDMAB-CQSZACIVSA-N 454.324 4.068 50 10 JIGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@@H](c2ccccn2)C(C#N)=C(N)O3)cc1 1865700500 VRPZSSZIERREQV-JOCHJYFZSA-N 453.477 4.359 50 10 JIGE N#CSc1ccc(NC(=O)[C@H](CO)NC(=O)[C@H](c2ccc(Cl)cc2)C2CCCC2)cc1 1867007762 NMBFMYXBWNYJDB-SFTDATJTSA-N 457.983 4.303 50 10 JIGE O=C(Nc1ccc(F)c(CBr)c1)c1ccc(I)c(O)c1 1924876751 RASYICKDHUYQJT-UHFFFAOYSA-N 450.045 4.283 50 10 JIGE O=C(N[C@H](CBr)C[C@H]1CCCO1)c1c(Br)cccc1Br 1926737345 SWNQKIFQYIQQBB-VHSXEESVSA-N 469.999 4.274 50 10 JIGE O=C(NCCC(F)(F)CBr)c1csc(Br)c1Br 2012616322 SZDVRPICCOJVMQ-UHFFFAOYSA-N 455.944 4.423 50 10 JIGE BrCc1cc(Br)ccc1N1C[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1 2036445428 LHXSVSCTNMNTLE-PMACEKPBSA-N 466.217 4.434 50 10 JIGE COCCN(Cc1ccccc1)S(=O)(=O)c1cc(CBr)cc(Br)c1C 2059287970 CEHLYQXPGLKTHK-UHFFFAOYSA-N 491.245 4.490 50 10 JIGE C[C@H]1C[C@H](CBr)CCN1S(=O)(=O)c1cc(Cl)c(Br)s1 2115856783 BEKQKLIMCFJQJH-JGVFFNPUSA-N 451.633 4.348 50 10 JIGE CCN1CCC[C@@H]([C@H](Cl)c2ccc(I)c(Br)c2)S1(=O)=O 2145784061 ZMMLPVQSAGEAIA-QWHCGFSZSA-N 492.604 4.148 50 10 JIGE C[C@H]1CN(S(=O)(=O)c2ccc(Br)c(CCl)c2)[C@H](C)CN1Cc1ccccc1 2152184579 MEKZACKQGVIIFV-JKSUJKDBSA-N 471.848 4.471 50 10 JIGE O=C(c1ccccc1I)N1C[C@@]2(F)CCC[C@@]2(CBr)C1 2176630073 KGRBKERWCSLWSN-CABCVRRESA-N 452.105 4.021 50 10 JIGE Cc1cc(C)c(S(=O)(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)cc1CBr 2179857611 BQSCCDNFNOQMCA-FQEVSTJZSA-N 451.430 4.093 50 10 JIGE CCCn1cc(S(=O)(=O)N2CC[C@H](COCc3ccccc3)C2)cc1CBr 2179859063 XTNOPXPNLOAFMS-SFHVURJKSA-N 455.418 4.020 50 10 JIGE CCC[C@H]1CN(C(=O)Cc2ccccc2I)C[C@@H]1CBr 2205684127 QIGLKPDHKKRCDO-KBPBESRZSA-N 450.158 4.103 50 10 JIGE CC(C)(C)OC(=O)N1C[C@H](I)[C@@H](OC2CCN(Cc3ccccc3)CC2)C1 2242040743 YFAWRUYPAIEFOM-OALUTQOASA-N 486.394 4.091 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N1C[C@H](CBr)C2(CC2)C1 2268344335 KHWLSACEIBQHPY-JTQLQIEISA-N 454.533 4.192 50 10 JIGE O=C(c1ccc(Cl)c(I)c1)N(CCBr)CC(F)(F)F 2268356705 HNKANSYZZIYVNY-UHFFFAOYSA-N 470.454 4.344 50 10 JIGE CC1([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)CS(=O)(=O)C1 2272734556 MOLWDADXWIOUGK-JTQLQIEISA-N 482.966 4.361 50 10 JIGE CC1=C(C#N)C(=O)N(CCc2c[nH]c3ccccc23)C(=O)C1=CNc1ccc2c(C)cc(=O)oc2c1 2296535545 SPVUXZGDOBQDNR-UHFFFAOYSA-N 478.508 4.330 50 10 JIGE CCO[C@H]1Oc2ccc([N+](=O)[O-])cc2C(=O)C1=CN=c1[nH]c2cc(C)c(SC#N)cc2s1 2297534569 HLVZLORZLIHCGB-FQEVSTJZSA-N 468.516 4.442 50 10 JIGE BrC[C@@H]1CCC2(CN(Cc3cccc(Br)c3Br)C2)O1 2336714124 MPVXROFAMODONZ-NSHDSACASA-N 454.000 4.340 50 10 JIGE Cc1cc(OCC(=O)NNC(=O)COc2ccccc2-c2ccccc2)ccc1Br 13979959 BMRVFFCSUNMFBF-UHFFFAOYSA-N 469.335 4.030 50 10 JIGE C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)COc1ccc(Br)cc1Cl 14031668 SJWGSNOLAIXFFQ-CYBMUJFWSA-N 477.742 4.249 50 10 JIGE CC(C)c1ccc(O[C@@H](C)C(=O)NNC(=O)COc2ccc(Cl)cc2Br)cc1 14040281 BPBXHAMLPQZFPV-ZDUSSCGKSA-N 469.763 4.220 50 10 JIGE COc1ccccc1C(=O)NNC(=O)[C@@]12CC[C@@](C)(c3nc4cc(C)c(C)cc4nc31)C2(C)C 33379080 GSSDBIOSEBMYFF-RRPNLBNLSA-N 458.562 4.046 50 10 JIGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc([N+](=O)[O-])cc3)ccc2[C@@H]1c1ccccc1Cl 38651026 QVGWNWHNHISQQP-QHCPKHFHSA-N 477.860 4.451 50 10 JIGE O=C(COc1ccc(Cl)cc1Cl)N/N=C1\C(=O)N(CCOc2ccccc2)c2ccccc21 40137393 YCSQCDDVGJSVJA-NFFVHWSESA-N 484.339 4.318 50 10 JIGE O=S(=O)(N[C@@H](CCl)c1ccccc1)c1cc(Br)ccc1Br 96873136 XMMQPKONTCZGPP-ZDUSSCGKSA-N 453.583 4.470 50 10 JIGE Cc1c(C(=O)NNC(=O)c2ccccc2Cl)oc2c1/C(=N/NC(=O)c1ccccc1Cl)CCC2 101598904 MHPVPRHZKKQSDK-OVVQPSECSA-N 499.354 4.440 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)NC(C)(C)CCBr)cc1Br 142750073 MPQILAWYXNCDLF-UHFFFAOYSA-N 478.044 4.362 50 10 JIGE O=C(NCCCCI)c1cc(Br)sc1Br 232485017 UTQXDHKJGLBWHA-UHFFFAOYSA-N 466.964 4.218 50 10 JIGE O=C(CNC(=O)c1cccc2ccccc12)NN=Cc1ccc(OC(=O)c2cccs2)cc1 254484125 YTOKOLBCJMRQBG-UHFFFAOYSA-N 457.511 4.001 50 10 JIGE COc1cccc(C=NNC(=O)c2cc(-c3ccc(OCc4ccc(C)cc4)cc3)n[nH]2)c1O 254814491 LYBLCOBGMJVGOC-UHFFFAOYSA-N 456.502 4.442 50 10 JIGE Cn1ncc([C@@H](Br)c2ccc(Br)s2)c1I 307571310 XUCGQQQIHNSVTO-MRVPVSSYSA-N 461.948 4.333 50 10 JIGE C[C@@H]1CN(C(=O)c2ccc(I)c(Br)c2)C[C@H]1CBr 709127334 RCPRBKXHJYCJHT-PSASIEDQSA-N 486.973 4.157 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1CCS[C@H](CCBr)C1 720043242 WXZZVGVMYYOTLZ-SNVBAGLBSA-N 474.589 4.287 50 10 JIGE C[C@@H](NC(=O)c1ccc(I)c(Br)c1)C1(CBr)CC1 721615705 DFGNQGWDBNRPDX-MRVPVSSYSA-N 486.973 4.347 50 10 JIGE O=C(NC[C@H]1CCC[C@@H](CBr)C1)c1cccc(F)c1I 721672649 OJWDKSRODOBMRM-MNOVXSKESA-N 454.121 4.361 50 10 JIGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Cl)c(OC)c(Br)c2)cc1 725411015 NBFOUEZAIWJTQL-GOSISDBHSA-N 469.763 4.474 50 10 JIGE CCCN1CCC(NC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)CC1 726931571 AHFMZCFUKIGOCR-XDJHFCHBSA-N 450.974 4.015 50 10 JIGE Cc1cc(C(=O)NN=C2C(=O)N(CCc3ccccc3)c3ccc(Br)cc32)c(C)o1 1084264442 BHAZIKPNPLROBB-UHFFFAOYSA-N 466.335 4.382 50 10 JIGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)NN=C(C)c1ccc(N)cc1 1084497784 BHLJZBKWVCZQNS-UHFFFAOYSA-N 485.617 4.444 50 10 JIGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2cc(F)ccc2SCC(F)F)cc1 1562415535 VAUXUONREBVLMZ-LBPRGKRZSA-N 455.458 4.006 50 10 JIGE COc1cc([C@H]2CN(Cc3ccccc3)C[C@@H]2CI)ccc1[N+](=O)[O-] 1614629506 BREYMVZOKPPVGK-DLBZAZTESA-N 452.292 4.254 50 10 JIGE C[C@@H](C(=O)N/N=C/c1ccc(Br)cc1F)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1860774194 QQCCSIOIAKCWHX-ABGDNVJCSA-N 491.386 4.196 50 10 JIGE C[C@H](Br)CN(Cc1ccccc1)S(=O)(=O)[C@H]1C[C@H](OCc2ccccc2)C1 1954527323 VJOYBKUTHWOBNH-YYWHXJBOSA-N 452.414 4.350 50 10 JIGE CCN1CC[C@H]([C@@H](Br)c2scc(Br)c2Br)S1(=O)=O 2029068656 OLPVRMOQZLUYIW-VXNVDRBHSA-N 482.057 4.133 50 10 JIGE O=C(CBr)c1c(I)ccc(Cl)c1I 2060091730 ICNDVCWCEAPBRS-UHFFFAOYSA-N 485.284 4.127 50 10 JIGE O=C(CBr)c1cc(OC(F)(F)F)c(OC(F)F)cc1I 2060375751 HNYCORKDQRRLKZ-UHFFFAOYSA-N 474.945 4.369 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1CCC[C@](F)(CBr)C1 2101309968 IJCUHPIDMQYIOM-ZDUSSCGKSA-N 460.512 4.284 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1CC[C@@H](Br)CC12CC2 2113561869 OYZUNPDSDKQDND-SECBINFHSA-N 454.533 4.477 50 10 JIGE O=S(=O)(c1cc(CBr)n(C2CC2)c1)N(Cc1ccccc1)CC(F)(F)F 2123272263 YGLUUNJDVQRPQU-UHFFFAOYSA-N 451.308 4.471 50 10 JIGE C[C@H](Br)[C@@H]1C[C@H]1NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2125871776 VPRNCIMRFPKBJU-YCRQMBEESA-N 451.995 4.206 50 10 JIGE FC(F)(F)[C@]1(CCl)CCN(c2ncc(I)cc2Br)C1 2133370560 BVNHMEXPNSAJGE-JTQLQIEISA-N 469.470 4.446 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N(C)CC(F)(F)CBr)cc1Br 2150989986 NEAMMZWXKXXVIX-UHFFFAOYSA-N 499.997 4.171 50 10 JIGE C[C@@H]1CC[C@H](CN(C)S(=O)(=O)c2cc(CBr)sc2Br)S1 2179785620 ORJOQJBWUZQFSV-RKDXNWHRSA-N 463.282 4.310 50 10 JIGE CN(C[C@H]1C[C@@H]1Br)C(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21 2241635299 YYCJMYBLKFDSFX-VFNWGFHPSA-N 457.368 4.157 50 10 JIGE O=C(CCN1C(=O)C(=Cc2ccccc2Cl)SC1=S)NNC(=O)c1ccccc1Cl 2295934238 MRXNVVOFCILGNA-UHFFFAOYSA-N 480.398 4.046 50 10 JIGE FC(F)(F)[C@H]1CN(Cc2sccc2I)C[C@H]1CBr 2316761286 CLMXZCHSOHLTHJ-SFYZADRCSA-N 454.093 4.358 50 10 JIGE CC(C)(C)OC(=O)NC[C@@](C)(CI)O[C@@H]1CCOc2ccc(F)cc21 2316974632 KFXKVWXHFNQZEL-CRAIPNDOSA-N 465.303 4.384 50 10 JIGE COc1ccc(C(C#N)=Cc2ccc(OC(=O)[C@@H](C)N3C(=O)c4ccccc4C3=O)cc2)cc1OC 2320506705 PPQNFFRDPRNLRU-QGZVFWFLSA-N 482.492 4.358 50 10 JIGE BrCCO[C@@H]1CCN(Cc2ccc(I)c(Br)c2)C1 2325221174 LPGMFPIYICJGJX-LLVKDONJSA-N 488.989 4.040 50 10 JIGE CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccc(OC(=O)c2ccccc2)cc1 2328825083 UMVLTEOJCHMEKG-FQEVSTJZSA-N 471.579 4.002 50 10 JIGE O=C(N[C@H]1C[C@@H](CBr)[C@@H]2C[C@H]12)c1ccc(Br)cc1I 2333351042 NOSCAKRKTCKVCK-IRDCDUOOSA-N 498.984 4.203 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@H]2CC[C@H]1[C@@H](Br)C2 2349961839 WXDQDSJUMBTTBO-HJIKLVIJSA-N 498.984 4.442 50 10 JIGE O=S(=O)(c1cc(CBr)sc1Br)N1CC[C@H](SC(F)F)C1 2365712694 UJWPJGKMXBYIBF-LURJTMIESA-N 471.208 4.124 50 10 JIGE O=C(CCCOc1ccc(Cl)cc1Cl)N/N=C1/C(=O)Nc2ccc(Br)cc21 1878984 BHRQKWVKUCUJGC-UHFFFAOYSA-N 471.138 4.388 50 10 JIGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccccc4Cl)c(=O)c32)cc1OC 2363647 RTOJCVASURVLLR-QFIPXVFZSA-N 463.921 4.094 50 10 JIGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc(C)c(C)c2)cc1 10154126 BCWHTKVMIBLFBY-IBGZPJMESA-N 471.623 4.366 50 10 JIGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)c1ccc(Cl)cc1Cl 12501459 GQXKIWYLHWICKG-QMMMGPOBSA-N 481.188 4.403 50 10 JIGE COCCOc1ccc(C(=O)NNC(=O)c2ccc(OCc3ccccc3)cc2)cc1Br 14661585 GJYYMTPMNJXEFX-UHFFFAOYSA-N 499.361 4.128 50 10 JIGE C[C@H]1CCc2c(sc3ncn(CC(=O)N/N=C\c4cccc(OCc5ccccc5)c4)c(=O)c23)C1 31829130 OVANXRYBWAIAFB-MWPRVRPJSA-N 486.597 4.312 50 10 JIGE Cc1ccc(OCC(=O)N/N=C2/C(=O)N(Cc3ccccc3F)c3ccccc32)cc1Cl 59151560 VWRPFYJDZRPKBG-WEMUOSSPSA-N 451.885 4.234 50 10 JIGE N#C/C(=C/c1c(Oc2ccc(Br)cc2)nc2ccccn2c1=O)C(=O)NCc1ccco1 102684353 RQQKSRQEUXGLQQ-QINSGFPZSA-N 491.301 4.066 50 10 JIGE O=C1OC(=O)[C@H]2[C@@H]1N(n1c(-c3ccc(Cl)cc3)nc3ccccc3c1=O)C=C[C@H]2c1ccccc1 105629396 RTSSVKFLFSTOQB-PMOQBDJRSA-N 483.911 4.034 50 10 JIGE COC(=O)[C@@H](Br)COc1ccc(-c2ccc(I)cc2)cc1 159878245 DFTKMYBZULKZFW-HNNXBMFYSA-N 461.093 4.274 50 10 JIGE CCOc1c(Br)cc(/C=N/NC(=O)c2cccc(OC)c2)cc1Br 169878568 DORPIWUKIRIHIM-KEBDBYFISA-N 456.134 4.383 50 10 JIGE C[Si](C)(C)OC(=O)CC(CC(=O)O[Si](C)(C)C)(O[Si](C)(C)C)C(=O)O[Si](C)(C)C 195809014 VFGAVMGYDWDESE-UHFFFAOYSA-N 480.855 4.491 50 10 JIGE Cc1ccc2nc(-c3ccc(N/C=C(/C#N)C(=O)NCCCN4CCCC4=O)cc3)sc2c1 216766721 NHLYEFZXSWAYNK-MNDPQUGUSA-N 459.575 4.220 50 10 JIGE COc1ccc(-n2c(SCC(=O)NN=C(C)c3ccncc3)nnc2-c2ccc(C)cc2)cc1 252606823 GVUYAHSDTARBOV-UHFFFAOYSA-N 472.574 4.279 50 10 JIGE COc1ccc(C=NNC(=O)c2sc3cc(F)ccc3c2Cl)cc1CN1CCOCC1 252635213 WVJBQLGEJBMPEV-UHFFFAOYSA-N 461.946 4.299 50 10 JIGE CCOc1cc(C=NNC(=O)COc2c(C)ccc(C)c2C)ccc1OC(=O)c1ccco1 254623131 IKESJRFUFNGHRC-UHFFFAOYSA-N 450.491 4.352 50 10 JIGE Cc1cc(CCl)cc(S(=O)(=O)N2CCN(Cc3ccccc3)[C@@H](C)C2)c1Br 396342769 CFNVBQDHXJFVHV-INIZCTEOSA-N 471.848 4.391 50 10 JIGE Cn1cc([C@H](Br)c2cc(I)cc3c2OCC3)nc1Br 698451935 VQUFEYPGOWLYED-LLVKDONJSA-N 497.956 4.206 50 10 JIGE O=C(NNC(=O)c1occc1CN1C(=O)Cc2ccccc21)c1ccccc1OCc1ccc(F)cc1 728511241 FWPHDASSNUZHOX-UHFFFAOYSA-N 499.498 4.162 50 10 JIGE N#CCCn1cc(/C=C(\C#N)C(=O)NNC(=O)c2ccc3ccccc3n2)c(-c2ccc(Cl)cc2)n1 913962087 BOKJPAXEGGPIOH-XMHGGMMESA-N 495.930 4.034 50 10 JIGE O=C(NN=Cc1cccc(Cl)c1O)[C@H]1CCCN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1084319475 GUKMWUVSSIWZQA-OAHLLOKOSA-N 456.808 4.092 50 10 JIGE CC#CCCNC(=O)NNc1c(Br)cc(Br)cc1Br 1312526161 WNRPUORRHVEKBM-UHFFFAOYSA-N 453.960 4.014 50 10 JIGE CC(=O)CCC(C)(C)C(=O)NNC(=O)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1 1587242842 CREBNJHVDNTDLJ-UHFFFAOYSA-N 457.530 4.157 50 10 JIGE CC(=O)N1CCc2cc(NC(=O)NNc3ccc(-c4cccc(C(F)(F)F)c4)nn3)ccc21 1665106572 NMCHYQUFLGQUMW-UHFFFAOYSA-N 456.428 4.220 50 10 JIGE Cc1c(C(=O)Nc2cccnc2)oc2c1C(=NNC(=O)c1ccccc1Br)CCC2 1772743747 HCAUPPWIJPYBFT-UHFFFAOYSA-N 467.323 4.468 50 10 JIGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2F)cc(Br)c1O 1865689788 WQMVIKVGFSXOMD-IBGZPJMESA-N 485.313 4.074 50 10 JIGE CCOC(=O)c1c(NC(=O)C(Cl)Cl)sc(C(=O)OCCOc2ccccc2)c1C 1865988778 YUBQTKDBNVAUOD-UHFFFAOYSA-N 460.335 4.211 50 10 JIGE CCOC(=O)c1c(C)nn(-c2cccc(F)c2)c1NC(=O)/C(C#N)=C/c1ccc(OCCOC)cc1 1866215103 BRFYYHRHCSPMSW-XMHGGMMESA-N 492.507 4.067 50 10 JIGE CCC[C@H](NC(=O)c1cc(-c2cc(F)ccc2F)n(C)n1)C(=O)Nc1ccc(SC#N)cc1 1867096115 QDURGRWCJMOJJH-IBGZPJMESA-N 469.517 4.476 50 10 JIGE CC(C)(C)OC(=O)NC[C@](C)(CI)OCCCOCc1ccccc1 1880150382 ZBNLQJXBNGJQOM-IBGZPJMESA-N 463.356 4.328 50 10 JIGE O=C1c2ccccc2C(=O)N1C[C@@H](Br)Cc1c(F)ccc(Br)c1F 1905344670 WFIUPYDFMVLZNR-VIFPVBQESA-N 459.084 4.330 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OCCOCCC2CC2)C1 2012321157 TWPFXHNQKYWOJX-GOSISDBHSA-N 453.361 4.024 50 10 JIGE CCN(C[C@@](C)(CI)OCC(C)(C)CN(C)C)C(=O)OC(C)(C)C 2021407917 SYNDWIXBNMGXCP-GOSISDBHSA-N 456.409 4.042 50 10 JIGE O=C(c1cc(Br)sc1Br)N1CC[C@H]2[C@H](C1)[C@@H]2CBr 2032223165 IAMAZYQAZHOVKF-VDAHYXPESA-N 458.013 4.376 50 10 JIGE CCOC(=O)Cc1cc(I)c(C(F)(F)F)cc1CBr 2055268570 WZRQUFCLUOUEFC-UHFFFAOYSA-N 451.020 4.311 50 10 JIGE O=S1(=O)CC[C@@H]([C@H](CBr)Cc2c(Br)cccc2Br)C1 2094095452 MGHJFBCWZVTSJB-ZJUUUORDSA-N 475.040 4.200 50 10 JIGE Cc1cccc(C(=O)N[C@@](C)(CBr)C(F)(F)F)c1I 2105104527 NEVULURGEMSMGV-NSHDSACASA-N 450.036 4.045 50 10 JIGE O=C(c1c(Br)cccc1Br)N1C[C@@H]2C[C@H](C[C@@H]2Br)C1 2107288466 KIHUSHYSMPXKAP-PTRXPTGYSA-N 451.984 4.457 50 10 JIGE Cc1c(Br)ccc([C@H](Br)C2[C@@H]3CS(=O)(=O)C[C@@H]23)c1Br 2138876538 QKFLFRFXUNCAOI-KKFJDGPESA-N 473.024 4.247 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@]12CC[S@@](=O)(=NC(=O)[C@H](Br)C1CCCC1)C2 2167030917 BMZUARJYSKQVOC-KMNVGERZSA-N 463.438 4.108 50 10 JIGE CC(C)(C)[C@H]1[C@@H](Br)CCN1C(=O)c1cccc(F)c1I 2185103053 LMEOGLOFEYSBIJ-GXFFZTMASA-N 454.121 4.454 50 10 JIGE O=C(c1cc(I)ccc1Br)N1[C@H]2CC[C@H]1[C@H](F)[C@H](Cl)C2 2190671993 XRWVFMFGRBJKHB-OQCKYNKVSA-N 472.523 4.376 50 10 JIGE CN(CC(C)(C)CCF)S(=O)(=O)c1cc(CBr)sc1Br 2191346724 ROCKGVZQDHOWDI-UHFFFAOYSA-N 451.221 4.412 50 10 JIGE COc1cc(C=C(C#N)C(=O)NC(C)C)c(Br)cc1OCc1ccc(C(=O)O)cc1 2293544127 JAZRCJZELKQLMZ-UHFFFAOYSA-N 473.323 4.166 50 10 JIGE O=C(C=Cc1ccco1)Oc1cccc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)c1 2294216990 WQTDNRNTGKPZFB-UHFFFAOYSA-N 466.493 4.285 50 10 JIGE COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c1C 2313567137 HEVCOFLOQGOIHI-UHFFFAOYSA-N 485.544 4.267 50 10 JIGE COc1ccc2nc(N(/N=C/c3ccc([N+](=O)[O-])s3)C(=O)c3ccc([N+](=O)[O-])o3)sc2c1 9629540 JURLJFAOYMKOMT-DJKKODMXSA-N 473.448 4.457 50 10 JIGE CC[C@H](C)c1ccccc1O[C@@H](C)C(=O)NNC(=O)c1ccc(OC)c(I)c1 9872072 HPZADGLCOIHARV-KBPBESRZSA-N 496.345 4.042 50 10 JIGE Cc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1I 12493000 ADOCVIYXCQJFNR-SNVBAGLBSA-N 493.128 4.135 50 10 JIGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)Cc3cccc4ccccc34)cc2)c1 13976970 HAGANTMJIKIWSR-UHFFFAOYSA-N 496.592 4.279 50 10 JIGE COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NNC(=O)c2cn(C)c3ccccc23)cc1 15093134 BVECSMHUVZCHJV-UHFFFAOYSA-N 479.540 4.174 50 10 JIGE Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)NCCc2ccccc2)c1C 34738235 MQHACCBVSUQYDI-XLNRJJMWSA-N 464.525 4.370 50 10 JIGE CN(C)c1ccc(/C=N/NC(=O)CSc2nnc(CCc3ccccc3)n2-c2ccccc2)cc1 58988571 OJOBLHZCFLMLQZ-TURZUDJPSA-N 484.629 4.361 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N[C@H](C)C[C@H](C)Br)cc1Br 228247314 QVTPJTQGNXWSAD-DTWKUNHWSA-N 478.044 4.360 50 10 JIGE O=C(c1cc(I)ccc1Br)N(CCBr)CC(F)F 236263828 ADINBDMFUPAWFK-UHFFFAOYSA-N 496.915 4.156 50 10 JIGE CCN(CC)c1ccc(C=NNC(=O)/C(=C/c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)cc1 254570943 QAUBYYROLYAYJR-ANBYXCMOSA-N 484.556 4.183 50 10 JIGE C[C@H](Br)C[C@H]1CCCN1S(=O)(=O)c1cc(Cl)c(Br)s1 387963510 RUDPTSVYKCFGKM-JGVFFNPUSA-N 451.633 4.491 50 10 JIGE CC[C@@H]1CN(C(=O)c2cc(Br)ccc2I)C[C@H]1Br 399967692 HGRCQRABJZHCJP-LDYMZIIASA-N 486.973 4.299 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N(C)[C@@H]2CCC[C@H]2Br)cc1Br 709125984 KFMDKICQCFXLEN-BXKDBHETSA-N 490.055 4.457 50 10 JIGE C=CCN1C(=O)/C(=C\c2ccc(N(CC)CC)cc2)SC1=NNC(=O)c1ccccc1O 1772718936 WYWAWMKLTOKGFS-NUPZHTTHSA-N 450.564 4.042 50 10 JIGE Cc1c(C(=O)N2CCc3ccccc3C2)oc2c1C(=NNC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 1772744209 BFDSZBSQPJKAOX-UHFFFAOYSA-N 472.501 4.165 50 10 JIGE Cc1c(C(=O)NC2CC(C)(C)NC(C)(C)C2)oc2c1C(=NNC(=O)c1cccc([N+](=O)[O-])c1)CCC2 1772746023 OCHFICPXQPRWKL-UHFFFAOYSA-N 495.580 4.006 50 10 JIGE Cc1c(C(=O)N2CCC(C)CC2)oc2c1C(=NNC(=O)c1cncc(Br)c1)CCC2 1772747536 PPSJGGSFWYIMHO-UHFFFAOYSA-N 473.371 4.088 50 10 JIGE CCCOc1ccccc1/C=C/C(=O)NNC(=O)c1ccc(-c2ccc(OC)c(OC)c2)nc1C 1865758278 SCIIRKGDNATZFH-RVDMUPIBSA-N 475.545 4.337 50 10 JIGE COc1ccc(/C=C(\C#N)C(=O)NCc2ccc3n2CCN(C(=O)OC(C)(C)C)[C@@H]3C)cc1 1866126945 ZCLANEBOJZOQNU-GMYFBSLISA-N 450.539 4.032 50 10 JIGE N#CSc1ccc(NC(=O)[C@@H](CO)NC(=O)[C@H](c2ccc(Cl)cc2)C2CCCC2)cc1 1867007761 NMBFMYXBWNYJDB-RTWAWAEBSA-N 457.983 4.303 50 10 JIGE O=C(c1cc(Br)cc(Br)c1)N1CCC(CI)CC1 2037335175 XXVRVTDECOBMRT-UHFFFAOYSA-N 486.973 4.499 50 10 JIGE CN(C(=O)c1sccc1I)[C@H](CCBr)C(F)(F)F 2058222538 XFKNGZJJZGZLNO-SSDOTTSWSA-N 456.065 4.141 50 10 JIGE CN(C1CC(OCc2ccccc2)C1)S(=O)(=O)c1cc(CBr)oc1Br 2059268473 YZERSIZOUMUJMQ-UHFFFAOYSA-N 493.217 4.305 50 10 JIGE Cc1ccc(Cn2nc(CBr)c(I)c2C(F)(F)F)c(O)c1 2079251282 QKUTWCNQARGSRS-UHFFFAOYSA-N 475.046 4.464 50 10 JIGE CSCC[C@@H](Br)CCNS(=O)(=O)c1cc(C)c(Br)s1 2090378113 YWRDMXPTBTYDEJ-VIFPVBQESA-N 451.271 4.004 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CC[C@@H](Cl)C2(CC2)C1 2093173271 APNQFAROPIJBNE-GFCCVEGCSA-N 454.533 4.287 50 10 JIGE C[P@@]1(=O)C[C@H](NC(=O)c2cccc(Br)c2Br)[C@@H](Br)C1 2121369287 RTKLYTZTQXGQJZ-GJPGNPISSA-N 473.927 4.080 50 10 JIGE Cc1ccc(CBr)cc1S(=O)(=O)N(C)[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 2179792057 AKYRCSFDCRYOJR-FXAWDEMLSA-N 451.430 4.173 50 10 JIGE CC1(C)OCCO[C@H]1CO[C@H](CI)c1cccc(Br)c1 2186964906 SWLRZYAMOBEOCN-KGLIPLIRSA-N 455.130 4.136 50 10 JIGE CC(C)(C)OC(=O)N1CC2(CCS(=O)(=NCCCCCI)CC2)C1 2214698203 TZKGBLALHCKFFP-UHFFFAOYSA-N 470.417 4.091 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCNc1ccc([N+](=O)[O-])c(B2OC(C)(C)C(C)(C)O2)c1 2282939613 GGABTIGKKWFBHP-UHFFFAOYSA-N 499.464 4.212 50 10 JIGE F[C@@]1(CBr)CCN(Cc2ccc(I)c(Br)c2)C1 2306223291 DFQWMVBYMCFTBG-GFCCVEGCSA-N 476.953 4.363 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1[C@H]2CC[C@@H]1C[C@H]2CCl 2330469329 LTEIAXBWJVIUPR-CWSCBRNRSA-N 454.533 4.286 50 10 JIGE O=C(N[C@H]1C[C@@H]2C[C@H]1C[C@H]2Cl)c1cc(I)ccc1Br 2330914683 KVAKKPHNUJHYBG-VLIVSTDHSA-N 454.533 4.189 50 10 JIGE O=C(N[C@H]1C[C@@H]2C[C@H]1C[C@H]2Cl)c1ccc(Br)cc1I 2333350529 ZANXYKHVPDGFGU-RKXYQDBHSA-N 454.533 4.189 50 10 JIGE Fc1cc(C(F)(F)F)c(OCCOCCI)cc1Br 2351676077 OZHQTSHIUSEBBO-UHFFFAOYSA-N 456.999 4.437 50 10 JIGE CC(C)(C)OC(=O)NC[C@@H]1CN(C[C@]2(CBr)CC2(F)F)C[C@@H]1C(F)(F)F 2351885919 QWBPBLSRYFWMSW-UHIISALHSA-N 451.274 4.042 50 10 JIGE ClC[C@@H](Cc1ncc(I)cn1)Cc1ccccc1Br 2353309219 JJMYPUHKQOYHFD-SNVBAGLBSA-N 451.533 4.484 50 10 JIGE O=C(NN=Cc1ccncc1)c1cc2n(n1)[C@H](C(F)(F)C(F)(F)F)C[C@@H](c1ccc(F)cc1)N2 2781456 HZYKHPFSSQRAPV-RDJZCZTQSA-N 482.388 4.477 50 10 JIGE Cc1cc(Cl)ccc1OCC(=O)NNC(=O)COc1ccc2ccccc2c1Br 12576699 ZQMNVRNDWPBJAC-UHFFFAOYSA-N 477.742 4.169 50 10 JIGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)COc2ccc(Br)cc2Cl)cc1 13983366 KNIHJHWQKASEEW-CYBMUJFWSA-N 469.763 4.221 50 10 JIGE COc1ccc(C(=O)NNC(=O)[C@@]23CC[C@@](C)(c4nc5cc(C)c(C)cc5nc42)C3(C)C)cc1 33380106 JQJRQVVHXXMTQS-RRPNLBNLSA-N 458.562 4.046 50 10 JIGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc([N+](=O)[O-])cc2)c1C 38654902 WUXYPVCEYIEGPU-VWLOTQADSA-N 471.469 4.414 50 10 JIGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)c(OC)c1 38688442 VDYSBQMREABWRS-VWLOTQADSA-N 496.475 4.248 50 10 JIGE Cc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2c1/C(=N/NC(=O)Cc1ccccc1)CCC2 40815906 UKAOGGJMMRBMRP-TURZUDJPSA-N 459.502 4.011 50 10 JIGE Cc1nn(-c2cccc([N+](=O)[O-])c2)c(C)c1/C=N/NC(=O)COc1ccc(Cl)cc1Cl 59148101 CRIYGMSBWYLLGW-AUEPDCJTSA-N 462.293 4.233 50 10 JIGE C=CCOc1ccc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1Br 59676703 KTHOSMHDRBNZEA-XDJHFCHBSA-N 452.352 4.270 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N[C@@H](C)[C@@H](C)CBr)cc1Br 167734000 PNQYYZIKMIILPE-IUCAKERBSA-N 478.044 4.218 50 10 JIGE CC(C)(C)[Si](OC[C@H]1[C@H](O[C@H]2CCCCO2)C[C@@H]2OC(=O)C[C@@H]21)(c1ccccc1)c1ccccc1 196138838 KKUBBAJCNWPXGW-CBNWRBMVSA-N 494.704 4.426 50 10 JIGE in-vitro C[C@H](Br)CCCNC(=O)c1cc(Br)ccc1I 227713930 LMHTXGMQMIMDAC-QMMMGPOBSA-N 474.962 4.347 50 10 JIGE O=C(CSc1nnc(SCc2ccc(Cl)cc2)s1)NN=Cc1ccccc1O 254497123 IZNCLOOGMFUCLO-UHFFFAOYSA-N 450.998 4.432 50 10 JIGE O=C(Cc1nc(CCl)cs1)Nc1ccc(I)c(Br)c1 302378383 LPDCPVHVONILOY-UHFFFAOYSA-N 471.545 4.430 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)NC[C@@H](CBr)C(C)C)cc1Br 394174638 NDJBGTMUVBVFEX-SNVBAGLBSA-N 492.071 4.465 50 10 JIGE CCOC(=O)c1c(C)oc2cc(I)c(OCCBr)cc12 575601948 BLHMIELZNGSBNV-UHFFFAOYSA-N 453.070 4.296 50 10 JIGE C[C@H]1CN(Cc2ccccc2)C[C@@H]1CCNS(=O)(=O)c1ccc(CBr)cc1 723743919 OLKHZCZJIHLVGW-PXNSSMCTSA-N 451.430 4.018 50 10 JIGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2c(F)cccc2Cl)c2ccccc2F)cc1 725425350 COUQHMPVIMXRCQ-UHFFFAOYSA-N 477.920 4.272 50 10 JIGE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)NNC(=O)c2ccoc2)ccc1Cl 747184741 TXHFVBWMLIPSRV-UHFFFAOYSA-N 494.356 4.043 50 10 JIGE CCN(CC)C(=O)c1ccc(CNC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)cc1 915197714 FEFZCJVNKCQANZ-JJIBRWJFSA-N 480.572 4.169 50 10 JIGE C#Cc1cccc(NC(=S)NNC(=O)c2c(-c3cccc(Br)c3)noc2C)c1 1455418287 YLGXDFPCXVJUEB-UHFFFAOYSA-N 455.337 4.025 50 10 JIGE O=C(COc1cc(Cl)ccc1Cl)NN=C1C(=O)N(Cc2ccccc2)c2ccccc21 1772752472 SJHGCWDXUISLGI-UHFFFAOYSA-N 454.313 4.440 50 10 JIGE CCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1cc(OC)c(O)c(OC)c1)C(C#N)=C(N)O2 1865714986 SFZSQFSWORIMPX-IBGZPJMESA-N 452.898 4.029 50 10 JIGE COc1ccc(-c2ccc(C(=O)NNC(=O)c3cc(Cl)cc(Cl)c3)c(C)n2)cc1OC 1865759135 KFQXAVNABQDERJ-UHFFFAOYSA-N 460.317 4.456 50 10 JIGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OCCOC)cc2)sc2c1CCCC2 1866215118 CIPPNYUOWJCCSA-SAPNQHFASA-N 454.548 4.374 50 10 JIGE O=C(c1cccc(Br)c1Br)N1C[C@H]2CC[C@]2(CBr)C1 1903936119 ZLDILESPXKPHOA-OTYXRUKQSA-N 451.984 4.459 50 10 JIGE CN(C(=O)c1cc(I)ccc1Br)C1(CBr)CCC1 1915001336 CRCGRLIKLSTMCM-UHFFFAOYSA-N 486.973 4.443 50 10 JIGE BrCc1cc(Br)c(OCC[C@@H]2COCCO2)c(Br)c1 1916635456 FOMIJYFGVIUPCV-SNVBAGLBSA-N 458.972 4.291 50 10 JIGE C[P@@]1(=O)C[C@H](NC(=O)c2cc(Br)c(Br)s2)[C@@H](Br)C1 2057665843 KMVVPBQIRRVLFE-OLIMHSOTSA-N 479.956 4.142 50 10 JIGE COC[C@](C)(CBr)N(C)C(=O)c1cccc(Br)c1Br 2092332725 JDWULJFUOZENPR-ZDUSSCGKSA-N 457.988 4.084 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CC[C@@H]2[C@H](CBr)[C@@H]2C1 2093133209 ALHJIIHTSHUPOL-OUAUKWLOSA-N 498.984 4.157 50 10 JIGE CCN(CC)S(=O)(=O)C[C@@H](Br)c1c(Br)cccc1Br 2094098338 NMBAMKGZYSNTPJ-LLVKDONJSA-N 478.044 4.319 50 10 JIGE O=C(N[C@@H]1C[C@H](CCl)[C@H]2C[C@H]21)c1ccc(Br)cc1I 2142285707 SXVYBBRSIGBBBJ-GDECHXLSSA-N 454.533 4.047 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)NC2CC(CCBr)C2)cc1Br 2146640024 YVRYWYYPSXPGIY-UHFFFAOYSA-N 490.055 4.362 50 10 JIGE CC(C)(C)OC(=O)N[C@H]1CCC2(CCOCC2)N(CCCCCI)C1 2220220815 XLNGUVMRVYNYPR-INIZCTEOSA-N 466.404 4.130 50 10 JIGE O=C(c1cc(Br)sc1Br)N1C[C@H]2OCCC[C@@]2(CBr)C1 2238793892 HYKRTXLFZRJPHH-NOZJJQNGSA-N 488.039 4.289 50 10 JIGE CCC(CBr)(CBr)NC(=O)c1c(F)cccc1I 2255929541 VKDVHYUIKOKIBR-UHFFFAOYSA-N 492.952 4.099 50 10 JIGE C=CC[C@@]1(CBr)CCN(C(=O)c2ccc(F)cc2I)C1 2287747669 KXLUJAZBUUYHTA-HNNXBMFYSA-N 452.105 4.234 50 10 JIGE Cc1cc(I)ccc1NC(=O)CCC(=O)NN=CC=Cc1ccccc1 2297271790 DGAOSPWOYJLJHL-UHFFFAOYSA-N 461.303 4.134 50 10 JIGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4)ccc32)cc1 2314634698 AVZKJTZLPFFROQ-VWLOTQADSA-N 452.466 4.310 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1C[C@H]2C[C@H](Br)C[C@H]1C2 2340060510 DCPDSWQBZMJIPS-ATZCPNFKSA-N 454.533 4.333 50 10 JIGE C/C(=N/NC(=O)c1cccc(N/N=C(/C)c2ccc([N+](=O)[O-])cc2)c1)c1ccc([N+](=O)[O-])cc1 13138843 WRZWWTTWHQXDIK-URXAUHHJSA-N 460.450 4.493 50 10 JIGE Cc1cccc(C)c1OCC(=O)NNC(=S)NC(=O)c1ccc(C(C)(C)C)c(Br)c1 13981219 NIEONBMCWPYDGM-UHFFFAOYSA-N 492.439 4.078 50 10 JIGE COc1cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C)o2)cc(OC)c1OC 38659205 SKVKSWNNNBXTNM-QFIPXVFZSA-N 462.458 4.051 50 10 JIGE CCc1nn2c(=O)cc(COc3ccc(/C=C(/C#N)C(=O)Nc4ccccc4C)cc3)nc2s1 96484362 FCBZWXUVODBYNT-PDGQHHTCSA-N 471.542 4.147 50 10 JIGE COc1ccc(/C=N\NC(=O)c2cccn(Cc3ccccc3Cl)c2=O)cc1OC(C)C 169920823 RPHWRJBXGCMXMW-WGARJPEWSA-N 453.926 4.110 50 10 JIGE N#C/C(=C/N1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 217232938 QYCKPDDEGMYUNF-ATJXCDBQSA-N 467.529 4.348 50 10 JIGE C[C@@H]1CN(C(=O)c2cc(Br)ccc2I)CC[C@H]1Br 235353818 SORYHHIXALGEAX-LDYMZIIASA-N 486.973 4.299 50 10 JIGE Cc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 252628521 SSDHUADIAUFUNS-UHFFFAOYSA-N 455.474 4.285 50 10 JIGE CCCCN(CCCC)CN1C(=O)C(=NNC(=O)COc2ccc(Cl)cc2)c2ccccc21 254836710 UZABQCORVDHCIM-UHFFFAOYSA-N 471.001 4.446 50 10 JIGE Cc1ccc(-c2csc3ncn(CCC(=O)NNc4ccc(F)c(F)c4F)c(=O)c23)cc1 727759899 HBFPPLKGMWDXTC-UHFFFAOYSA-N 458.465 4.384 50 10 JIGE COc1c(C)cnc(CN(C)C(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)c1C 746863819 DNXJJBSKJPTJPW-FYJGNVAPSA-N 454.534 4.050 50 10 JIGE COc1cc(C=NNC(=O)COc2ccc(Br)cc2Cl)cc(Br)c1O 1084428117 JNAVPUUWLGCNJK-UHFFFAOYSA-N 492.551 4.108 50 10 JIGE COc1cccc2cc(CNC(=O)NNC(=O)c3ccccc3OCc3ccc(F)cc3)oc12 1318284714 ZSXUDHPXDCRQTC-UHFFFAOYSA-N 463.465 4.304 50 10 JIGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cc(C)ccc2C)c1O 1865684509 RAZKHKAXHHBREG-SFHVURJKSA-N 470.451 4.499 50 10 JIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)cc2)cc(Cl)c1O 1865706737 DPLCOXTZPZNSKG-LJQANCHMSA-N 457.317 4.479 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2Cl)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1865714026 BBUDEQHDJIXKDU-INIZCTEOSA-N 491.813 4.436 50 10 JIGE COC(=O)c1ccccc1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(OC)cc3)cs2)CC1=O 1872745940 KSPHXXYIVPJROQ-JJXNMMKVSA-N 475.526 4.451 50 10 JIGE Cc1sc(Br)cc1S(=O)(=O)N(C)C[C@@H](Cl)COCc1ccccc1 1916363880 FWTIHUBPLSHNDO-CQSZACIVSA-N 452.823 4.264 50 10 JIGE CC(C)(CBr)c1cn(-c2cc(I)ccc2Br)nn1 2046456329 RCHZWUXBMYGULH-UHFFFAOYSA-N 484.961 4.307 50 10 JIGE CCOC(=O)Cc1c(CBr)cc(I)cc1OC(F)(F)F 2055275317 IZEKSGYWSRUCKA-UHFFFAOYSA-N 467.019 4.190 50 10 JIGE Cc1nccc(-n2nc(CBr)c(I)c2C(F)(F)F)c1[N+](=O)[O-] 2078915135 CMAYZMQFDRQQJP-UHFFFAOYSA-N 491.005 4.002 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CC[C@H](Br)C2(CC2)C1 2093177596 YYHMPGKSLBTVDC-LBPRGKRZSA-N 498.984 4.443 50 10 JIGE BrCCN1CCC[C@@H](NCc2c(Br)cccc2Br)C1 2094101967 JOBARAQPMFAWQE-LLVKDONJSA-N 455.032 4.161 50 10 JIGE CCn1cnnc1COc1c(Br)cc(CBr)cc1Br 2097369026 KROKDZMJGOFCOS-UHFFFAOYSA-N 453.960 4.297 50 10 JIGE Cc1sc(CBr)cc1S(=O)(=O)N(C)Cc1cnn(Cc2ccccc2)c1 2123241340 ICDRZANSFMTSTJ-UHFFFAOYSA-N 454.415 4.017 50 10 JIGE O=C(c1ccc(Br)cc1I)N1C[C@@H](Br)[C@H](C2CC2)C1 2142278644 GEDOUWDEAOIGIR-NWDGAFQWSA-N 498.984 4.299 50 10 JIGE O=C(c1ccc(Br)cc1I)N1CCSC[C@H]1CCCl 2142292288 SJNMCODRGVCKGA-SNVBAGLBSA-N 474.589 4.240 50 10 JIGE Clc1cc(CN2CC[C@]3(C[C@H](Br)CO3)C2)ccc1I 2142952832 KWGZOQWFSUEWGT-FZMZJTMJSA-N 456.549 4.073 50 10 JIGE CN([C@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(Br)c(CCl)c1 2144829520 MESQHFBXVGBVIN-SFHVURJKSA-N 471.848 4.473 50 10 JIGE CCn1ncc(Br)c1CC(CBr)(CBr)C1CCOCC1 2150682767 NULCOPJMNZEFFO-UHFFFAOYSA-N 473.047 4.411 50 10 JIGE C[C@H]1CN(C(=O)Cc2ccccc2I)CC[C@@H]1CCBr 2172469369 WGBMAUFIRWTICQ-STQMWFEESA-N 450.158 4.103 50 10 JIGE CN(CC[C@H]1CC1(F)F)S(=O)(=O)c1cc(CBr)sc1Br 2196218020 AMAUQPSSENRZOG-ZETCQYMHSA-N 453.168 4.071 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N(CCBr)CC(F)F 2277931694 HZRMMUUCIRCZAP-UHFFFAOYSA-N 463.942 4.243 50 10 JIGE O=C(NN=Cc1cc(Cl)cc([N+](=O)[O-])c1O)C(=CC=Cc1ccccc1)NC(=O)c1ccccc1 2297322140 JCKFRUDMRXMJCQ-UHFFFAOYSA-N 490.903 4.431 50 10 JIGE N#CC(=CNCc1ccccc1F)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324608446 UEMLVOZORZMCKD-UHFFFAOYSA-N 454.549 4.257 50 10 JIGE CCOC(=O)c1cnn(-c2ccc(Cl)cc2)c1NC(=O)C(C#N)=Cc1ccc(OC)c(OC)c1 2329703490 IWYFIXMLCGBOAQ-UHFFFAOYSA-N 480.908 4.265 50 10 JIGE COc1ccc(-c2csc(C(C#N)=C(O)[C@H](C)N3C(=O)c4ccccc4C3=O)n2)c(OC)c1 2331385888 QYEYLFKAFKPZSC-ZDUSSCGKSA-N 461.499 4.305 50 10 JIGE Cn1cc(I)c(C[C@@H](CCl)Cc2ccccc2Br)n1 2341763838 YTVGCJOMEOSRLQ-JTQLQIEISA-N 453.549 4.427 50 10 JIGE C[C@H](Cl)c1nc2ccc(Br)cc2n1-c1c(I)cnn1C 2381855845 DZOOWRZUVNMCKJ-ZETCQYMHSA-N 465.520 4.426 50 10 JIGE C=CCOc1ccc(C(=O)NNC(=O)COc2c(Cl)cc(Cl)cc2Br)cc1 9779839 JXQIKLMJVSSYPL-UHFFFAOYSA-N 474.138 4.161 50 10 JIGE O=C(COc1ccc(Br)cc1Br)NNC(=O)c1ccc(Cl)cc1Cl 12584296 IIYMYILXLOCGGC-UHFFFAOYSA-N 496.970 4.358 50 10 JIGE COc1cc(/C=C(/C#N)c2ccccc2F)ccc1OC(=O)CCN1C(=O)c2ccccc2C1=O 31901769 VAYZUBGEXBBGOC-JXAWBTAJSA-N 470.456 4.490 50 10 JIGE C[C@H](Cl)C(=O)Nc1ccc(N(C)C)c(CN(C[C@H]2CCCO2)C(=O)c2cccs2)c1 34921677 MEYJCVXEVDORAJ-MAUKXSAKSA-N 450.004 4.201 50 10 JIGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)c1 38701064 JSDRXBRLHRHNFE-CLJLJLNGSA-N 482.492 4.215 50 10 JIGE Cc1ccc(C(=O)NNc2ncnc(Nc3ccc(C(=O)OCC(C)C)cc3)c2[N+](=O)[O-])cc1 40649898 BMSFIQSFTRWQHM-UHFFFAOYSA-N 464.482 4.007 50 10 JIGE Cc1ccccc1C(=O)NNc1ncnc(Oc2ccc(Br)c3cccnc23)c1N 40784352 OMBXUUTWEDNCRM-UHFFFAOYSA-N 465.311 4.227 50 10 JIGE CCOC(=O)c1cnn(-c2cc(C)c3cccc(C)c3n2)c1NC(=O)[C@H](Br)CC 170509062 GFTFYCOFZJUCOE-MRXNPFEDSA-N 459.344 4.326 50 10 JIGE COc1cc(/C=C(/C#N)C(=O)N2CCOCC2)ccc1OC(=O)CCCOc1ccc(C(C)C)cc1 207234267 ANXDAWHCDSUTMB-QJOMJCCJSA-N 492.572 4.349 50 10 JIGE COc1ccc([C@@H](C)NC(=O)/C(C#N)=C\Nc2ccc(I)cc2C)cc1 217178531 GNONXUSQWBALME-IZCBMXNHSA-N 461.303 4.305 50 10 JIGE Cn1ncc(-n2c(CCl)nc3cc(I)c(F)cc32)c1Br 694196271 FYCPAICHYHHZPN-UHFFFAOYSA-N 469.483 4.004 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1CCCC[C@@H](CBr)C1 696737970 QDRHCBCAWVKULQ-JTQLQIEISA-N 490.055 4.397 50 10 JIGE CCN(C[C@@H](C)Br)C(=O)c1cc(I)ccc1Br 709405548 GFLUDACXKCFCCS-MRVPVSSYSA-N 474.962 4.299 50 10 JIGE N#CCCn1cc(/C=C(\C#N)C(=O)Nc2ccc(-n3nccn3)cc2)c(-c2ccc(Cl)cc2)n1 915867177 DDPCUXQLYRPXFQ-NBVRZTHBSA-N 468.908 4.244 50 10 JIGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)c(Cl)c1O 1084006281 VWCCXUANTKSDDM-RVDMUPIBSA-N 476.758 4.072 50 10 JIGE COC(=O)c1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1cccc(OC)c1)CCC2 1772749199 ISYFFOOOQWFICX-UHFFFAOYSA-N 475.501 4.106 50 10 JIGE Cn1c(SCCC(=O)NC(C)(C)C(=O)Nc2ccc(SC#N)cc2)nnc1-c1ccccc1 1867073002 KCAQALWBIOOAIQ-UHFFFAOYSA-N 480.619 4.071 50 10 JIGE O=C(N[C@H](CBr)C[C@@H]1CCCO1)c1cc(Br)sc1Br 1926779965 KJTGVCNHDOBLNF-YUMQZZPRSA-N 476.028 4.336 50 10 JIGE CCC[C@H](Br)CNC(=O)c1ccc(Br)cc1I 2026219014 UEKCENYESIZAGD-VIFPVBQESA-N 474.962 4.347 50 10 JIGE O=C(Cl)c1ccc(I)c(I)c1OC(F)(F)F 2060032722 XRHIIDDECQOUMI-UHFFFAOYSA-N 476.357 4.173 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@@H]2CC[C@@H](Cl)[C@H]2C1 2087940583 KWXPQZUZSKROFA-LJUAHTATSA-N 454.533 4.143 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@H]2CC[C@@]1(CBr)C2 2089729369 BHHAZEJNCSWQFW-XPTSAGLGSA-N 498.984 4.443 50 10 JIGE CC1(C)CN(Cc2ccccc2)CCN1S(=O)(=O)c1cc(F)ccc1CBr 2179791586 SWSSQYWZYHOGGS-UHFFFAOYSA-N 455.393 4.006 50 10 JIGE CCCN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(CBr)o1 2179866323 GCBXMLZZFQHXCF-UHFFFAOYSA-N 455.418 4.240 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2CCC[C@@H]2[C@@H](C)Br)cc1Br 2193587103 RSDPCCOJMSAZEZ-BXKDBHETSA-N 490.055 4.457 50 10 JIGE FC[C@]12C[C@]([C@@H](Br)c3cc(I)cc4c3OCC4)(CO1)C2 2202644383 CRKCTPVCTYIJDC-KKUMJFAQSA-N 453.089 4.181 50 10 JIGE O=S(=O)(NC[C@@]12CCC[C@@]1(CBr)C2)c1cc(Cl)c(Br)s1 2208034425 WWNSIVOELXQNTC-RYUDHWBXSA-N 463.644 4.398 50 10 JIGE CN(CCN(CCCCCI)CC(F)(F)F)C(=O)OC(C)(C)C 2211185004 GXMMOYXSCWHEDW-UHFFFAOYSA-N 452.299 4.323 50 10 JIGE C[C@H](CCCCCI)NS(=O)(=O)Cc1ccccc1Br 2234501056 MKJNJHUTPYMRMF-GFCCVEGCSA-N 474.202 4.252 50 10 JIGE C=CCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2c(C)cc(Br)cc2C)c(OC)c1 2293198068 FDIXPUWCLFIUGQ-UHFFFAOYSA-N 499.361 4.268 50 10 JIGE COc1cc(C=C(C#N)C(=O)N[C@H](C)c2ccccc2)ccc1OCC(=O)Nc1ccccc1 2314490220 WBRNBZWQJFAVKT-LJQANCHMSA-N 455.514 4.497 50 10 JIGE CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccccc1OCc1ccccc1 2328825059 NXETUCDDTUIRDT-FQEVSTJZSA-N 457.596 4.362 50 10 JIGE C[C@@H](Br)CCc1cn(Cc2ccc(Cl)cc2I)nn1 2341030649 SEEATGCCGLLEPW-SECBINFHSA-N 454.537 4.300 50 10 JIGE O=C(c1cc(I)ccc1Br)N1C[C@H]2CC[C@H]1[C@H](Cl)C2 2349955217 PFDJMGYMEBZQHS-CKLFPEKLSA-N 454.533 4.286 50 10 JIGE CN(CC(C)(C)C(F)F)S(=O)(=O)c1cc(CBr)sc1Br 2361889089 BVEZRKSTUDZSMT-UHFFFAOYSA-N 455.184 4.317 50 10 JIGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2Cl)cc1Br 14041437 PSXBVHDQAMGQGG-UHFFFAOYSA-N 484.803 4.231 50 10 JIGE Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=O)c2ccc(OCCc3ccccc3)cc2)c1 14041586 ZLKQNSVDKYEMBC-UHFFFAOYSA-N 459.546 4.105 50 10 JIGE COc1ccc(/C(C#N)=C\c2ccc(OC(=O)[C@H](C)N3C(=O)c4ccccc4C3=O)c(OC)c2)cc1 31902296 GDNINGGVTNKOJG-PNWWAVQQSA-N 482.492 4.358 50 10 JIGE Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NCCCOC(C)C)c(Oc3ccccc3Cl)nc12 33583998 JSYPDHITSZBKDP-NBVRZTHBSA-N 480.952 4.287 50 10 JIGE CCS(=O)(=O)CCC(CBr)(CBr)c1ccccc1Br 118672055 CQJJXOTVAHRIMX-UHFFFAOYSA-N 477.056 4.302 50 10 JIGE CCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(N)=O)cc2OC)cc1OCC 207295596 NUQQFNFDAAPHMN-XUPLFRGXSA-N 464.518 4.284 50 10 JIGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\Nc1ccc(Br)cn1 217254408 KUBVJIPKOQERBL-FLIBITNWSA-N 483.107 4.215 50 10 JIGE CC(C)(C)OC(=O)NC[C@@](C)(CI)OC(C(F)(F)F)C(F)(F)F 226033603 SATRJGOUSZCDDO-SNVBAGLBSA-N 465.172 4.215 50 10 JIGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)NN=Cc1ccc(F)cc1 252616450 KAOMEXUATFOHHT-UHFFFAOYSA-N 458.950 4.111 50 10 JIGE COc1ccc(-n2c(SCC(=O)NN=C(C)c3ccc(O)cc3)nnc2-c2ccccc2)cc1 263627842 VBFUUNFMQAMGJT-UHFFFAOYSA-N 473.558 4.281 50 10 JIGE COc1ccc(Cl)cc1NC(=O)C(=O)NN=Cc1cc(C)n(-c2ccc(C)c(C)c2)c1C 1084061281 OOUDGMCRADHIHR-UHFFFAOYSA-N 452.942 4.462 50 10 JIGE CCN(CC)c1ccc(C=NNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c(OC)c1 1084377144 RYGGFHQHFNCMFW-UHFFFAOYSA-N 456.546 4.160 50 10 JIGE COc1cc(Br)cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)c1O 1084511572 HNQJRKQNKXJHLL-UHFFFAOYSA-N 468.101 4.436 50 10 JIGE CC(CC(C)(C)c1ccccc1)=NNC(=O)CN(c1ccccn1)S(=O)(=O)c1ccccc1 1084519256 ITFNTBJJBHGZHJ-UHFFFAOYSA-N 464.591 4.137 50 10 JIGE CCc1cccc(CC)c1N1C[C@@H](C(=O)NNC(=O)CCCSc2ccc(C)cc2)CC1=O 1865755913 WTQFVJKXWYIJRW-NRFANRHFSA-N 467.635 4.193 50 10 JIGE CC[C@@](C)(NC(=O)CCSc1nnc(-c2ccccc2)n1C)C(=O)Nc1ccc(SC#N)cc1 1867076385 ZJSIONBXXRBXKN-XMMPIXPASA-N 494.646 4.461 50 10 JIGE Brc1cc(C[C@@H]2COCC[C@H]2Br)ccc1I 1904329702 MWJODPFRDGEGDH-NXEZZACHSA-N 459.947 4.396 50 10 JIGE Cc1c(C(=O)N(Cc2ccccc2)C2(CBr)CCC2)nn(C)c1Br 2002831543 WVBHDXVZFDPZCI-UHFFFAOYSA-N 455.194 4.451 50 10 JIGE CCOC(=O)Cc1ccc(I)c(OC(F)(F)F)c1CBr 2055272138 HCNSZFQZCDODNE-UHFFFAOYSA-N 467.019 4.190 50 10 JIGE O=S1(=O)CCC[C@@H]([C@H](Br)c2ccc(Br)cc2Br)C1 2083319334 YALPKRYXPCGNPD-PELKAZGASA-N 461.013 4.472 50 10 JIGE CC[C@]1(CBr)COCCN1C(=O)c1cc(Br)sc1Br 2112707498 GBPAYKQOJMCISQ-LBPRGKRZSA-N 476.028 4.289 50 10 JIGE Cc1csc(CBr)c1S(=O)(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C 2123238961 ZRICEEMPOSQZDI-INIZCTEOSA-N 457.459 4.237 50 10 JIGE CC(C)(C)OC(=O)NCc1nc2c(s1)CCN(C(=O)[C@@H](Br)C1CCCC1)C2 2167033132 MBAZSXBSGXXWTQ-INIZCTEOSA-N 458.422 4.006 50 10 JIGE CCCS[C@@H]1CCN(S(=O)(=O)c2cc(CBr)sc2Br)C1 2179775578 MOEWOQSVLUAROP-SECBINFHSA-N 463.282 4.312 50 10 JIGE Cc1nn(CCCBr)c(C)c1S(=O)(=O)N(Cc1ccccc1)[C@@H](C)C1CC1 2179826487 SNTCIEGIJNOENX-INIZCTEOSA-N 454.434 4.274 50 10 JIGE COCCNCc1cc(Br)c(OC[C@H]2C[C@H]2Br)c(Br)c1 2196906903 KVDNJRDXPHOXIH-GHMZBOCLSA-N 472.015 4.110 50 10 JIGE O=C(NC[C@H]1CC[C@H](CBr)CO1)c1csc(Br)c1Br 2264717145 KEZPZWVWBQDRRO-HTQZYQBOSA-N 476.028 4.193 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@H]2CC[C@]2(CBr)C1 2295313792 OWVDYLWWKKCBEG-ABAIWWIYSA-N 466.011 4.388 50 10 JIGE N#CC(=Cc1ccccc1OCc1ccc2c(c1)OCO2)C(=O)N1CCN(c2ccccc2)CC1 2313567139 HFTLCBHWFKCNSP-UHFFFAOYSA-N 467.525 4.250 50 10 JIGE COc1ccc(CCN2C(=O)C(=CNc3cc(Cl)ccc3OC)C(C)=C(C#N)C2=O)cc1 2314579539 WKILFSKBALCVMD-UHFFFAOYSA-N 451.910 4.105 50 10 JIGE CC(C)Oc1ccc(C=NNC(=O)c2cc(-c3ccccc3)nc(O)n2)cc1Br 2318417770 FKWWMGDJQFQBRP-UHFFFAOYSA-N 455.312 4.163 50 10 JIGE CCCCCOc1c(OC)cc(C=NNC(=O)c2ccc3nc(S)[nH]c3c2)cc1[N+](=O)[O-] 2323603237 CWQJIOVJJSHIKO-UHFFFAOYSA-N 457.512 4.101 50 10 JIGE N#CC(=C(O)CCc1nc2ccccc2[nH]c1=O)c1nc(-c2ccc3c(c2)OCCO3)cs1 2331330771 HJKJAPDEQCSJEX-UHFFFAOYSA-N 458.499 4.243 50 10 JIGE O=C(CCn1nnc2ccccc21)N/N=C/c1ccccc1OCc1ccc(Br)cc1 1497851 KGXSWFSUNNBGNE-MFKUBSTISA-N 478.350 4.313 50 10 JIGE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)NCCCOC(C)C)c1C 2425590 BHSJXTRUQHMPQL-QNGOZBTKSA-N 474.561 4.250 50 10 JIGE CC[C@@H](Oc1ccc(C)cc1)C(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 14013982 FOZQYPRYDICTBA-LJQANCHMSA-N 477.399 4.439 50 10 JIGE CC(C)COc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(C(C)C)cc1 14666898 DQHCCXTWYITREP-UHFFFAOYSA-N 463.372 4.447 50 10 JIGE COc1ccc(/C=N/NC(=O)CCCNc2ccc(Br)cc2)cc1OCn1cccn1 20291421 MKPULZRXPPBUKF-MFKUBSTISA-N 486.370 4.033 50 10 JIGE O=C(NNc1ncnc(Nc2ncc(C(F)(F)F)cc2Cl)c1[N+](=O)[O-])c1ccc(F)cc1 40658022 USWZRRPUMOPFMV-UHFFFAOYSA-N 471.758 4.092 50 10 JIGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)/C1=C/c1ccc(-c2ccc(Br)cc2)o1 101337222 LXKZOULCTYGXQJ-HDAJJNEKSA-N 467.319 4.480 50 10 JIGE Cc1cc(S(=O)(=O)N[C@H]2c3ccccc3C[C@H]2Br)sc1Br 137012074 QZJISQKPAQOCBB-YPMHNXCESA-N 451.205 4.158 50 10 JIGE COc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1c(C)ccc(C)c1C 206409808 KXCFOQOSHAWNHD-MTJSOVHGSA-N 474.513 4.421 50 10 JIGE Cc1ccc(C)c(OCC(=O)NN=Cc2cccc(OC(=O)c3ccc4c(c3)OCO4)c2)c1C 254704237 DGTVHRVLVIJLRL-UHFFFAOYSA-N 460.486 4.089 50 10 JIGE CS(=O)(=O)CC1(COc2c(Br)cc(Br)cc2CBr)CC1 697018566 QCYDJELJBMYQGC-UHFFFAOYSA-N 491.039 4.310 50 10 JIGE C[C@@H]1CCN(C(=O)c2ccc(I)c(Br)c2)C[C@H]1CCl 721621479 PDUSMXBIVLKTOL-MWLCHTKSSA-N 456.549 4.391 50 10 JIGE O=C(NNC(=O)c1cc(F)c(Cl)nc1Cl)c1ccccc1OCc1ccc(F)cc1 728797367 HGPSAPNWWMMDMN-UHFFFAOYSA-N 452.244 4.320 50 10 JIGE COc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 1084035008 TWHYCQQGKGNMQB-UHFFFAOYSA-N 467.909 4.025 50 10 JIGE CC(=O)N(c1ccc(NC(=O)NNC(=O)c2ccc(OCCC(C)C)cc2)cc1)[C@@H]1C[C@H]1C 1672172702 MTVHYNUGEPZKFA-UZUQRXQVSA-N 452.555 4.339 50 10 JIGE COc1ccccc1C(=O)NNC(=O)c1oc2c(c1C)C(=NNc1ccccc1)CC(C)(C)C2 1772729383 LZLJUEMXROVVBF-UHFFFAOYSA-N 460.534 4.460 50 10 JIGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](C)N3C(=O)c4ccccc4C3=O)n2)c(OC)c1OC 1872759573 SUOAIDLTKRZXDV-PWLTZZKVSA-N 491.525 4.313 50 10 JIGE BrCc1ccc(N2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)cc1Br 2036446894 ZCNFDAULCJENRF-WOJBJXKFSA-N 466.217 4.434 50 10 JIGE CCOc1ccc(-n2c(SCC(=O)C(C#N)=C(C)N)nnc2-c2c[nH]c3ccccc23)cc1 2040425307 SWUITRYQLSEPSO-UHFFFAOYSA-N 458.547 4.232 50 10 JIGE CCN1CC[C@H]([C@H](Br)c2cccc(Br)c2Br)S1(=O)=O 2092335636 PCUNAULQQWPKBS-ZYHUDNBSSA-N 476.028 4.072 50 10 JIGE Oc1nc2cc([C@H](Cl)c3cc(I)sn3)c(Br)cc2[nH]1 2120034186 XAVXVICQCYKNAC-JTQLQIEISA-N 470.517 4.420 50 10 JIGE CN(C[C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(CCl)c(Br)c1 2144842535 XDODWTSSPSRAQE-QGZVFWFLSA-N 471.848 4.331 50 10 JIGE CO[C@H]1C[C@H](O[C@@H](CI)c2ccccc2Br)C[C@H]1OC 2166422148 WIDIFIJYXBXFHK-HPEDKQMDSA-N 455.130 4.134 50 10 JIGE CC(C)(C)OC(=O)N1CCCCN(C(=O)[C@@H](Br)C2CCCC2)CC(F)(F)C1 2167033433 RGPDAAPZYWWXJA-HNNXBMFYSA-N 453.368 4.435 50 10 JIGE C[C@@H]1CCN(Cc2ccccc2)CCN1S(=O)(=O)c1ccc(F)c(CBr)c1 2179789963 YARRPDYCTOESBE-MRXNPFEDSA-N 455.393 4.006 50 10 JIGE O=S(=O)(c1cc(CBr)cs1)N1CCN(Cc2ccccc2)C[C@@H]1C(F)(F)F 2186715466 NFKJEGRJEOZCCG-OAHLLOKOSA-N 483.375 4.080 50 10 JIGE Cc1c(Br)cc(CBr)cc1S(=O)(=O)N(C)C[C@@H]1C[C@@H]1Br 2196936159 QEMMCOVRWYYOPY-JQWIXIFHSA-N 490.055 4.056 50 10 JIGE CN(C[C@H]1C[C@H](Br)C1)c1nc([C@@H](CCC(=O)O)NC(=O)OC(C)(C)C)cs1 2198786311 BGWFPRWWGWTBIX-JHJVBQTASA-N 462.410 4.183 50 10 JIGE Cc1nc(COc2c(Br)cc(Br)cc2CBr)nn1C 2228240497 PLCCJGRKYWABIS-UHFFFAOYSA-N 453.960 4.122 50 10 JIGE C[C@H](CCl)CC1CN(C(=O)c2cc(I)ccc2Br)C1 2230685929 UYAIPMWHDXSUSE-VIFPVBQESA-N 456.549 4.391 50 10 JIGE COc1ccc(CBr)c(Oc2ccc(OC)c(I)c2)n1 2239838832 SIZSDTQTODOENJ-UHFFFAOYSA-N 450.070 4.391 50 10 JIGE O=C(Cc1cc(Br)cc(Br)c1)N1CCSC[C@H]1CBr 2277918573 UPMKWLZVEXQKRS-GFCCVEGCSA-N 472.040 4.093 50 10 JIGE CNC(=O)C(C#N)=C1S[C@@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(F)cc1 2296834966 HNCIMJBMTWXHSL-KRWDZBQOSA-N 450.322 4.305 50 10 JIGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCOC)C(=O)C(C#N)=C2C)cc1C 2314618309 LCNLKZPOKBUOGU-UHFFFAOYSA-N 496.567 4.485 50 10 JIGE COc1ccccc1N1CCN(C=C(C#N)C(=O)NC(c2ccccc2)c2ccccc2)CC1 2324826092 VWRROFLZHXEBBW-UHFFFAOYSA-N 452.558 4.130 50 10 JIGE CCOc1cc(C=NNC(=O)[C@@H](N)Cc2ccccc2)ccc1OCc1ccc(Cl)cc1 2328798693 QHWOPPLVWMGYLH-QFIPXVFZSA-N 451.954 4.338 50 10 JIGE O=C(N[C@H]1C[C@@H]2C[C@H]1C[C@@H]2Br)c1ccc(Br)cc1I 2333350054 DTFHBZDZORFUSQ-BSCUDYGSSA-N 498.984 4.346 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1C[C@H]2CC[C@H]1[C@H](Br)C2 2349958716 DGPQSVRHOKSVPJ-PLMOITTCSA-N 454.533 4.333 50 10 JIGE COC[C@@]1(CBr)C=CCN1C(=O)c1cc(Br)c(Br)s1 2351727069 XYGCVZXBZDPIIE-LBPRGKRZSA-N 474.012 4.065 50 10 JIGE COc1ccc(OC)c(C=NNC(=O)c2cc(-c3ccc(OCc4ccccc4)cc3)[nH]n2)c1 1894080 SSNXDBRHYALUMU-UHFFFAOYSA-N 456.502 4.437 50 10 JIGE Cc1ccc(O[C@@H](C)C(=O)NNC(=O)[C@@H](C)Oc2c(C)cc(Br)cc2C)cc1C 10153116 XAJPRYWXIMEDTJ-DLBZAZTESA-N 463.372 4.065 50 10 JIGE CCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(Cl)c(C)c1 14652579 RPNBMQSCBUFSDM-UHFFFAOYSA-N 455.736 4.040 50 10 JIGE N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1C#N)C(=O)NC[C@@H]1CCCO1 33768980 FKENRAWSTGDPGJ-LYFUXTGPSA-N 466.335 4.102 50 10 JIGE COCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c(C)c2)C1=O 38606084 QZTJUXONDNRMAA-HZHRSRAPSA-N 482.540 4.095 50 10 JIGE COC(=O)c1ccccc1N(C)C(=O)c1oc2c(c1C)/C(=N/NC(=O)c1cccc(C)c1)CCC2 40811307 GGUINCMGTXYSLM-VFCFBJKWSA-N 473.529 4.430 50 10 JIGE CCOc1cc(/C=N/NC(=O)COc2ccc(Br)c(C)c2)cc(Br)c1O 40911874 TYZDDFRMVCXPBA-ZVBGSRNCSA-N 486.160 4.153 50 10 JIGE COc1ccc(/C=N/NC(=O)CSc2nnc(CCc3ccccc3)n2-c2ccccc2)cc1 58987744 XAXDLPUXAIFJRJ-OVVQPSECSA-N 471.586 4.304 50 10 JIGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C/Nc1ccc([N+](=O)[O-])cc1Br 101233548 PIMSYXDIPMBWIQ-GZTJUZNOSA-N 467.279 4.062 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1CCC[C@@H](CBr)C1 125545746 PFKUAPUSBGCINV-VIFPVBQESA-N 476.028 4.007 50 10 JIGE COc1cccc(/C=N/NC(=O)c2cc(-c3ccccc3)nc(O)n2)c1OCc1ccccc1 169923082 MIXDGNGAMAIXAR-JVWAILMASA-N 454.486 4.201 50 10 JIGE O=C(NN=Cc1c(O)ccc2ccccc12)c1ccccc1NS(=O)(=O)c1cccs1 254706800 AZISQSPXBULLBQ-UHFFFAOYSA-N 451.529 4.172 50 10 JIGE C[C@H]1[C@@H](I)[C@@H](CI)C[C@@H](C)N1C(=O)OC(C)(C)C 307741290 QDDMOKLJARGSHX-LMLFDSFASA-N 479.140 4.259 50 10 JIGE O=C(OCc1ccccc1)N1C[C@H](c2ccc(F)cc2O)[C@@H](CI)C1 382721278 NOOPBZFFLUQPSG-YOEHRIQHSA-N 455.267 4.319 50 10 JIGE O=S1(=O)CCC(C(CBr)(CBr)c2ccccc2Br)CC1 689929684 LPPKXTKKDNPGHR-UHFFFAOYSA-N 489.067 4.302 50 10 JIGE CC(=NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)[C@@H]1C[C@@H]1c1ccccc1Cl 920358594 WKXHXEDPOVQBFJ-LEWJYISDSA-N 459.999 4.424 50 10 JIGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)NN=Cc1cnn(C(C)C)c1 1083912952 KQXNRFUGKNZWMC-MRXNPFEDSA-N 487.033 4.138 50 10 JIGE CC(=NNC(=O)CCCSc1nnc(-c2ccc(Br)cc2)n1N)c1ccc(C)cc1 1084162808 QVQYYZXCNMEPTD-UHFFFAOYSA-N 487.427 4.143 50 10 JIGE COc1cc(C=NNC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)cc(Br)c1O 1084163611 UOXLDOKAHOEZAE-UHFFFAOYSA-N 482.334 4.488 50 10 JIGE C=CCNC(=S)NNC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1540371782 UXVAPEHLMNLVLJ-UHFFFAOYSA-N 456.471 4.060 50 10 JIGE C=CCC[C@H](NC(=O)NNC(=O)c1cc(Br)c[nH]1)c1ccc(C(F)(F)F)cc1 1564406804 OTMUVJBTUYAAJS-AWEZNQCLSA-N 459.266 4.448 50 10 JIGE CCOc1ccc([C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CI)cc1OC 1614615493 DGXWUKFVPGDQSC-HUUCEWRRSA-N 461.340 4.479 50 10 JIGE C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)NNc1cccc(OC(F)F)c1Br 1651597490 LWNNNCVFYTYTBT-NSHDSACASA-N 452.255 4.009 50 10 JIGE COc1ccc2c(c1)C(=NNC(=O)CCCOc1ccc(Cl)cc1Cl)C(=O)N2C(C)C 1772720419 LONDVPQPMQIIKN-UHFFFAOYSA-N 464.349 4.437 50 10 JIGE C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(=O)OC(C)(C)C)C(=O)ON1C(=O)c2ccccc2C1=O 1772794476 MMXYBQAAUXDWNG-PBHICJAKSA-N 478.618 4.044 50 10 JIGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1cccc([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865706156 PBRXNFXODXKCRJ-GOSISDBHSA-N 466.295 4.324 50 10 JIGE C[C@@H](C(=O)NCCCBr)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 1865886112 XHHYXWGQDCDYDU-YFKPBYRVSA-N 476.969 4.186 50 10 JIGE O=C(NC[C@H](Br)CBr)c1cc(Br)cc(Br)c1 1981564465 GUZAZEKQBOUVCX-SECBINFHSA-N 478.804 4.100 50 10 JIGE O=C(CBr)c1c(OC(F)F)cc(I)cc1C(F)(F)F 2060376293 BRTVSOFDRHRRRU-UHFFFAOYSA-N 458.946 4.489 50 10 JIGE CC1(C)[C@H](Cl)C[C@H]1CNC(=O)c1cc(Br)ccc1I 2097953180 WZGFBZWEVQRJRT-QPUJVOFHSA-N 456.549 4.437 50 10 JIGE C[C@@]12CN(C(=O)c3cc(Br)ccc3Br)C[C@@]1(CBr)C2 2109182617 MZTNDFLUUFVPTG-KGLIPLIRSA-N 451.984 4.459 50 10 JIGE O=C(c1ccccc1I)N(CCBr)Cc1ccsc1 2114642315 GOOMHMJOBAYWRE-UHFFFAOYSA-N 450.139 4.390 50 10 JIGE CN(C[C@@H](Br)C1CCCCC1)C(=O)c1cc(I)sn1 2120026408 OQDYYSDKWUMOQJ-SNVBAGLBSA-N 457.175 4.164 50 10 JIGE Cc1cc(S(=O)(=O)N(C)[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)sc1CBr 2123243722 NLXBQNIJZUJLIQ-NVXWUHKLSA-N 457.459 4.235 50 10 JIGE CN(Cc1ccccc1)[C@@H]1CCCN(S(=O)(=O)Cc2cccc(CBr)c2)C1 2179786097 VQGBXKXPICRYHG-OAQYLSRUSA-N 451.430 4.008 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@H]2C[C@@H](Br)C[C@H]2C1 2185078533 BLVGUAAMKMQFNS-DOFRTFSJSA-N 488.039 4.006 50 10 JIGE O=C(c1cc(Br)sc1Br)N1CCO[C@@H]2C[C@@H](CBr)C[C@@H]21 2199763439 VAYXCCLOWPWZNQ-UJNFCWOMSA-N 488.039 4.288 50 10 JIGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)Nc1ccc(Cl)cc1CBr 2230995228 DECQLSFIXUVTQF-UHFFFAOYSA-N 499.814 4.443 50 10 JIGE CC[C@@H]1[C@@H](Br)CCN1C(=O)c1ccc(Br)cc1I 2260360666 FQOWXPGURWWEMY-CMPLNLGQSA-N 486.973 4.442 50 10 JIGE CN(Cc1cccc(I)c1)S(=O)(=O)c1ccsc1CBr 2280345724 YGGGWOLTRDOETK-UHFFFAOYSA-N 486.194 4.068 50 10 JIGE COc1cc(C=NNC(=O)c2cccn(C(C)C)c2=O)ccc1OCc1cccc(Cl)c1 2323629972 YEYIMTWJAGTGDM-UHFFFAOYSA-N 453.926 4.434 50 10 JIGE CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccc(OCc2ccccc2)cc1 2328825094 ZKSRZHYVWBFNDP-NRFANRHFSA-N 457.596 4.362 50 10 JIGE O=C(N[C@H](CBr)CC(F)(F)F)c1ccc(Cl)cc1I 2340064526 QGBPNZUABURLDJ-ZETCQYMHSA-N 470.454 4.390 50 10 JIGE COC[C@@]1(CCl)C=CCN1Cc1ccc(I)c(Br)c1 2351706489 GPFFNOVPMNJYBD-AWEZNQCLSA-N 456.549 4.050 50 10 JIGE CN(Cc1c(Br)cccc1Br)S(=O)(=O)[C@H]1C[C@@H](CBr)C1 2366215110 JPEAEZQAYWWLNO-AOOOYVTPSA-N 490.055 4.147 50 10 JIGE CCN(CC)c1ccc(/C=N/NC(=O)COc2ccc(Br)cc2Br)c(O)c1 12583696 BTHZLJAENYKLRM-SSDVNMTOSA-N 499.203 4.293 50 10 JIGE C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NNC(=O)COc1ccc(Br)cc1Cl 14665903 TUAVOQJAJGNDEB-ZDUSSCGKSA-N 483.790 4.394 50 10 JIGE CCOC(=O)C1=C(c2ccc(OC)cc2)OC(N)=C(C#N)[C@@H]1c1ccc(OCC)c(OCC)c1 35576497 DXZCZWZBYCUUBV-QFIPXVFZSA-N 464.518 4.275 50 10 JIGE Cc1c(C(=O)NC2CC(C)(C)NC(C)(C)C2)oc2c1/C(=N/NC(=O)c1ccccc1F)CCC2 40812509 NWNKSEIYMYFYRM-VUTHCHCSSA-N 468.573 4.237 50 10 JIGE C=CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1OC 59484096 YHEOCEHRTUTIMX-XNTDXEJSSA-N 460.271 4.410 50 10 JIGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2 101333774 MHJQHDJMZHSNOT-LPYMAVHISA-N 480.524 4.311 50 10 JIGE O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)c1ccc[nH]/c1=N\c1cccc(F)c1 107910121 LROKOGQHXRVOAX-UHFFFAOYSA-N 477.323 4.313 50 10 JIGE CC[C@@H](CCBr)NS(=O)(=O)c1cc(Br)c(C)cc1Br 134625587 DAZTYPYAURDGGH-VIFPVBQESA-N 478.044 4.362 50 10 JIGE COc1ccc(CNC(=O)/C(C#N)=C\N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 216981816 LDMCBGWNHATKSH-ROMGYVFFSA-N 466.585 4.126 50 10 JIGE O=C1OC(=O)[C@@H]2[C@@H]1[C@H](c1ccccc1)C=CN2n1c(-c2ccc(Cl)cc2)nc2ccccc2c1=O 253573742 RTSSVKFLFSTOQB-VJBMBRPKSA-N 483.911 4.034 50 10 JIGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)NN=Cc1ccccc1F 254397656 ARHURKFBCMXJRU-UHFFFAOYSA-N 458.950 4.111 50 10 JIGE O=C(N[C@@H](CBr)Cc1ccccc1)c1sccc1I 311816652 BXSBBRCYZXWSQV-LLVKDONJSA-N 450.139 4.089 50 10 JIGE Cn1ncc([C@H](Br)c2cc3c(cc2Br)OCCO3)c1Br 379183697 UXTUNNGZRYTGII-GFCCVEGCSA-N 466.955 4.201 50 10 JIGE N#CCCn1cc(/C=C(\C#N)C(=O)N2CCC([C@H](O)c3ccccc3)CC2)c(-c2ccccc2)n1 914536060 GNLZFHOMYJVNMH-WTDOPDLHSA-N 465.557 4.343 50 10 JIGE N#CCCn1cc(/C=C(\C#N)C(=O)N2CCOc3ccccc3C2)c(-c2ccc(Cl)cc2)n1 918663109 FFGYJXDUGWRPOJ-XSFVSMFZSA-N 457.921 4.445 50 10 JIGE CC(=O)CCc1ccc(OCc2cccc(C(=O)NNc3ccc4c(=O)[nH]ccc4c3)c2)cc1 1635301927 REURSJXGUCLSCH-UHFFFAOYSA-N 455.514 4.386 50 10 JIGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1cccc(OC)c1OC)C(C#N)=C(N)O2 1865700732 CCXQLMHNDKHWMK-IBGZPJMESA-N 481.350 4.433 50 10 JIGE C/C(=N\NC(=O)c1ccc(-c2ccc(F)cc2F)nc1C)c1ccc2c(c1)N(C)C(=O)[C@@H](C)O2 1865763553 QXNZYIJFBGVXOK-SHCJNDJLSA-N 464.472 4.233 50 10 JIGE CC[C@@H](NC(=O)CCS(=O)(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(SC#N)cc1 1866812255 CTOVQRZURAJXHM-OAQYLSRUSA-N 487.647 4.255 50 10 JIGE O=C(N[C@H]1C[C@@H]([C@@H](F)CBr)C1)c1c(Br)cccc1Br 1906548250 GPFOAAYLYAGRER-RNSXUZJQSA-N 457.963 4.453 50 10 JIGE CC[C@H](Cl)CN(Cc1ccccc1)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 1915112006 XSGBEPMFXOGHJT-IBGZPJMESA-N 477.026 4.158 50 10 JIGE O=C(c1ccc(I)c(Cl)c1)N1C[C@H](Br)CC2(CC2)C1 1926031484 WDDWYGGIEJTOJL-SNVBAGLBSA-N 454.533 4.334 50 10 JIGE Cc1ccc(CCl)c(-n2c(C)nc(I)c2I)c1 1941555609 DYTMZTHXOJRFPS-UHFFFAOYSA-N 472.495 4.437 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1[C@H]2C[C@@H]3CN(C(=O)OC(C)(C)C)[C@@H]1[C@H]3C2 2010827143 MRPMCUQLCDLRTL-IGKNDFSCSA-N 473.705 4.126 50 10 JIGE O=C(CBr)c1c(OC(F)F)ccc(I)c1OC(F)(F)F 2060367419 KVFNNSKHFDUGBS-UHFFFAOYSA-N 474.945 4.369 50 10 JIGE CN1CCC[C@H]([C@H](Br)c2ccc(Br)cc2Br)S1(=O)=O 2089533097 WOOKVQXPQITVMV-VXGBXAGGSA-N 476.028 4.072 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1CC[C@H](Cl)[C@H]1C1CC1 2130614168 BWVZETDWOYTARE-WCQYABFASA-N 454.533 4.286 50 10 JIGE O=C(N[C@@H]1CC[C@@H]2C[C@]21CBr)c1ccc(I)c(Cl)c1 2132114609 FHFFSBKPWPLKIX-IUPBHXKESA-N 454.533 4.238 50 10 JIGE C[C@@H](CCCN(C)C(=O)OC(C)(C)C)N(C)S(=O)(=O)c1ccc(CBr)cc1 2168122420 PPTOHYPIMOZROT-HNNXBMFYSA-N 463.438 4.238 50 10 JIGE C[C@H]1CN(S(=O)(=O)c2cc(F)c(Cl)c(CBr)c2)CCN1Cc1ccccc1 2179861297 FQGJEIPQHSESTL-AWEZNQCLSA-N 475.811 4.269 50 10 JIGE CC1(C)CCCN(C(=O)Cc2ccccc2I)[C@H]1CBr 2185817132 RFFRFDQVHWQRQC-AWEZNQCLSA-N 450.158 4.246 50 10 JIGE O=S(=O)(C[C@H](Br)c1scc(Br)c1Cl)N1CCCCC1 2264609913 PREPLJZAKPTFJA-VIFPVBQESA-N 451.633 4.416 50 10 JIGE O=S(=O)(c1cc(CBr)sc1Br)N1CCC2(CCS2)CC1 2286213593 NUQCFWGGJKDTML-UHFFFAOYSA-N 461.266 4.066 50 10 JIGE Brc1cc(I)cnc1N1C[C@H]2CC[C@H]1C[C@H]2Br 2300190797 UTQFJMRSVAAYHG-FKTZTGRPSA-N 471.962 4.201 50 10 JIGE C[C@@H]1CCC[C@H](CO[C@@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)O1 2301105962 UMNMTICKWXZWCL-IIDMSEBBSA-N 453.361 4.165 50 10 JIGE Cc1cc(S(=O)(=O)N[C@@H](CCCl)COCc2ccccc2)sc1Br 2303768461 JIFQJYIGVKJKMD-AWEZNQCLSA-N 452.823 4.312 50 10 JIGE C[P@@]1(=O)C[C@H](NCc2ccc(I)c(Br)c2)[C@@H](Cl)C1 2325209902 SMHGAVDLWCEMHP-RSNWOKGLSA-N 462.493 4.126 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@H]2C[C@H](CBr)[C@H]2C1 2330496215 GWEKIWBVNLOBSX-KBVBSXBZSA-N 498.984 4.157 50 10 JIGE CN(C[C@@H]1C[C@H]1Br)[C@](C)(C(=O)O)c1cc(Br)c(Br)s1 2347667860 NIHAWXLJGLOYNI-KJNMHVQDSA-N 476.028 4.288 50 10 JIGE Cl[C@@H]1CCCOC12CN(Cc1ccc(I)c(Br)c1)C2 2349849593 BMQJIAJVJUBPHV-CYBMUJFWSA-N 456.549 4.026 50 10 JIGE Fc1cc(OCc2ncc(I)cn2)cc(Cl)c1CBr 2353062970 HBYDFGGIOPJVOK-UHFFFAOYSA-N 457.468 4.348 50 10 JIGE O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)NN=Cc1ccc(Cl)cc1)c1cccs1 13138942 SMDSENIYQGHCLF-HXUWFJFHSA-N 450.951 4.374 50 10 JIGE COCCOc1ccc(C(=O)NNC(=O)C(c2ccccc2)c2ccccc2)cc1Br 14661468 GMBXHGQDKXZUJZ-UHFFFAOYSA-N 483.362 4.067 50 10 JIGE COC(=O)NN=Cc1cc(Br)cc(Br)c1OC(=O)c1cccc(F)c1 16158282 ZCWZIYJUSLIMJL-UHFFFAOYSA-N 474.080 4.260 50 10 JIGE N#C/C(=C/Nc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216492808 LXAGOHJUHPMXOE-ATJXCDBQSA-N 467.529 4.348 50 10 JIGE O=C(NC[C@H]1CC[C@H](Br)C1)c1cc(Br)ccc1I 227673027 ZMILHTWONZOWDP-IUCAKERBSA-N 486.973 4.347 50 10 JIGE O=C(c1cc(Br)ccc1I)N1[C@H]2CC[C@H]1CC(Cl)C2 236028094 AILNTGOONJGODI-QWRGUYRKSA-N 454.533 4.428 50 10 JIGE C[C@@H](CBr)[C@H]1CCCCN1C(=O)c1ccc(I)c(O)c1 696715769 ZKKVZUZBFDNLOX-GXFFZTMASA-N 452.130 4.023 50 10 JIGE C[C@H]1C[C@@H](Br)CCN1C(=O)c1ccc(I)c(Br)c1 721606026 VIEOARPHMBPAAQ-WPRPVWTQSA-N 486.973 4.442 50 10 JIGE O=C(O)c1ccc(COc2ccccc2C=NNC(=O)c2ccc(Br)cc2)cc1 1084478556 MUPXNWIAXXFUOI-UHFFFAOYSA-N 453.292 4.490 50 10 JIGE CCOc1cc(C=NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)cc(Br)c1O 1772719778 VJMPGPVJBYRZOY-GFCCVEGCSA-N 455.736 4.433 50 10 JIGE Cc1nc(Cc2ccccc2)sc1C(=O)NNC(=O)CCc1ccccc1Br 1865845139 KRSBAIMWIJOWKT-UHFFFAOYSA-N 458.381 4.199 50 10 JIGE CC(C)(C)OC(=O)N(CCC(=O)NC(C)(C)C(=O)Nc1ccc(SC#N)cc1)Cc1ccncc1 1867086586 XZBWXWYVABIHDT-UHFFFAOYSA-N 497.621 4.315 50 10 JIGE N#C/C(=C(/O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1nc(-c2ccccc2Cl)cs1 1872745750 BDTVLVAYSZVMDY-SDXDJHTJSA-N 466.862 4.461 50 10 JIGE CCCOc1c(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cccc1OC 1873795321 XQMPEXPNFRTRPC-UBYGEMSKSA-N 455.555 4.070 50 10 JIGE Brc1cc(I)cnc1N1C[C@H]2C[C@@H](Br)C[C@H]2C1 2015764750 CBEQHFNQHCXBAA-AYMMMOKOSA-N 471.962 4.058 50 10 JIGE CC(C)(CNC(=O)c1csc(Br)c1Br)OCCBr 2032953086 BYABDNZSYSZOMB-UHFFFAOYSA-N 464.017 4.193 50 10 JIGE CC[C@@H](CBr)CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2098056815 IICYQVRBTYEWAD-ZETCQYMHSA-N 454.011 4.455 50 10 JIGE O=C(N[C@H](CBr)c1cccs1)c1ccc(F)cc1I 2119038973 LQPFHXHXSIJBLS-LLVKDONJSA-N 454.102 4.358 50 10 JIGE C=CCN(CC(=C)Br)S(=O)(=O)c1cc(CBr)sc1Br 2123200560 JSEAYFYHHLQRQU-UHFFFAOYSA-N 494.068 4.491 50 10 JIGE CCN(CC)S(=O)(=O)C[C@@H](Cl)c1ccc(Br)cc1I 2142284643 FYFFXPBNGZVFLY-LLVKDONJSA-N 480.593 4.005 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@@H]2CC[C@@H](Br)[C@H]2C1 2144221945 NSNWHWWVZAHYRH-INTQDDNPSA-N 488.039 4.006 50 10 JIGE C[C@]1(CBr)CC(F)(F)CN1S(=O)(=O)c1cc(Cl)c(Br)s1 2159046423 JZPQWHQRLXLRTC-SECBINFHSA-N 473.586 4.347 50 10 JIGE CC[C@@H]1CN(S(=O)(=O)c2cc(F)ccc2CBr)CCN1Cc1ccccc1 2179784545 AMHMUTFAOUGHDL-LJQANCHMSA-N 455.393 4.006 50 10 JIGE C[C@@H]1CN(S(=O)(=O)c2ccc(CBr)cc2F)[C@H](C)CN1Cc1ccccc1 2179785734 QENPWTWXKBJSRE-HZPDHXFCSA-N 455.393 4.004 50 10 JIGE C[C@H](Br)C[C@H]1COCCN1C(=O)c1cccc(Br)c1Br 2185313401 QQMCQSBIIJDQPM-UWVGGRQHSA-N 469.999 4.226 50 10 JIGE O=C(c1ccc(I)c(Br)c1)N1[C@H]2CC[C@H]1[C@@H](F)[C@@H](Cl)C2 2190680629 XIXNFURUFDZQJX-JBSCMGISSA-N 472.523 4.376 50 10 JIGE BrC[C@]12COC[C@@H]1CN(Cc1ccc(Br)cc1Br)C2 2226186058 NUGHRECPSCOQCC-FZMZJTMJSA-N 454.000 4.055 50 10 JIGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)Nc1ccc(Cl)cc1CCl 2231153935 IWKRKEQYQSWBOE-UHFFFAOYSA-N 455.363 4.287 50 10 JIGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(I)c2)ccc1OC(C)=O 2295172587 FCPYOSRIKSDHFB-UHFFFAOYSA-N 476.270 4.161 50 10 JIGE COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=C(C)c2ccc(F)cc2)cc1OC 2295891366 IEDBFEBNKNPNNA-UHFFFAOYSA-N 461.493 4.154 50 10 JIGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)NCCc3ccccc3)c(Oc3ccc(F)cc3)nc12 2296542726 FCUYUWOUHZBJEB-UHFFFAOYSA-N 468.488 4.200 50 10 JIGE CCN(C[C@](C)(CI)OC[C@@H]1COCC1(C)C)C(=O)OC(C)(C)C 2301193557 CMNIVJDTANSUQF-KSSFIOAISA-N 455.377 4.126 50 10 JIGE Cn1cc(I)c(CC(CBr)(CBr)C2CCC2)n1 2302815092 WMLWGQGCKVWQJQ-UHFFFAOYSA-N 475.994 4.144 50 10 JIGE CC(C)CNS(=O)(=O)c1ccc2nc(NC(=O)C(C#N)=Cc3ccc(Cl)cc3)sc2c1 2329654443 JTTDXDRXFCAHSN-UHFFFAOYSA-N 474.995 4.430 50 10 JIGE CC[C@@H](Cl)[C@@H]1CCCCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364214956 QQAPIBFUAFSWKP-UXHICEINSA-N 455.020 4.045 50 10 JIGE CCc1ccc(OCC(=O)NNC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)c(Br)c1 14665901 HPRWHDJNWUZVOU-HNNXBMFYSA-N 477.399 4.303 50 10 JIGE O=C(NNC(=O)c1ccc(OCCc2ccccc2)c(Br)c1)c1cccc([N+](=O)[O-])c1 14669720 ZWDDMXLDXPEVEQ-UHFFFAOYSA-N 484.306 4.054 50 10 JIGE C/C(=N/NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)c1cccc(Br)c1 33375207 WRHIILSQHSFCDR-QQXSKIMKSA-N 475.346 4.361 50 10 JIGE Cc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)o1 38659387 LFUIXXGXMWPRLP-MRXNPFEDSA-N 492.356 4.486 50 10 JIGE COC(=O)c1ccc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(F)cc2)CCC3)cc1 40811887 YBMWVDFUSOUJJH-ZXVVBBHZSA-N 464.449 4.203 50 10 JIGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)cc1 58893394 OMPGIKVSNSEBQW-YMCFUUGVSA-N 463.534 4.155 50 10 JIGE O=C(NN=C1C(=O)N(Cc2ccccc2)c2ccc(Br)cc21)c1cccc([N+](=O)[O-])c1 252590146 APNNCYFFBYOLGG-UHFFFAOYSA-N 479.290 4.038 50 10 JIGE CCOc1cc(C=NNC(=O)COc2ccc(C)cc2[N+](=O)[O-])ccc1OC(=O)c1ccc(C)cc1 254481557 YZEQZKSMCANWCB-UHFFFAOYSA-N 491.500 4.359 50 10 JIGE Cc1ccc(Cn2c(SCC(=O)NN=Cc3ccccc3C(=O)O)nc3ccccc32)cc1 254594466 SAPKSFHGCXGKHF-UHFFFAOYSA-N 458.543 4.334 50 10 JIGE Cc1cccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)CNC(=O)c2ccc(F)cc2)c1 254710144 JFVOSODZSFSSAR-UHFFFAOYSA-N 483.499 4.387 50 10 JIGE CCOC(=O)c1c(NC(=O)C(=O)NN=C/C(C)=C/c2ccccc2)sc2c1CC[C@H](C)C2 254737341 ZQPIMJCFQFITOW-BUZGOEGPSA-N 453.564 4.194 50 10 JIGE ClCc1nc2cc(I)ccc2n1CCN1CCN(Cc2ccccc2)CC1 390484622 MLPWUAUBFJXJLL-UHFFFAOYSA-N 494.808 4.198 50 10 JIGE CC1(C)CC[C@H](CBr)N(C(=O)c2cccc(F)c2I)C1 721704734 KHOPMYNFJRAOGJ-SNVBAGLBSA-N 454.121 4.456 50 10 JIGE O=C(NNC(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1)c1ccccc1NS(=O)(=O)c1cccs1 731183397 FWWHZNYAICWYPG-SFTDATJTSA-N 491.594 4.267 50 10 JIGE Cc1ccc(S(=O)(=O)Oc2ccc(C=NNC(=O)COc3ccc(C)c(Cl)c3)cc2)cc1 1084225111 DYUWUUZQDQQXBK-UHFFFAOYSA-N 472.950 4.254 50 10 JIGE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1cc(C)n(-c2ccccc2)c1C 1135761752 KTNZLHKJUQWICY-NRFANRHFSA-N 454.571 4.105 50 10 JIGE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NNc1ccc(S(=O)(=O)c2ccc(C(C)C)cc2)cc1 1227480560 VFNIYGVHTBPLBD-CVDCTZTESA-N 457.596 4.250 50 10 JIGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)cc1 1466273016 FIMWBELJTRSTAV-KRWDZBQOSA-N 458.474 4.173 50 10 JIGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc(Cl)cc3)cc2OC)cc1OC 1772720373 LZAJVGJIMIDUES-UHFFFAOYSA-N 498.919 4.114 50 10 JIGE COc1ccccc1NC(=O)[C@H](C)Oc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1F 1858685857 WNRFTRIUGREMBH-ZDUSSCGKSA-N 470.413 4.154 50 10 JIGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865712047 OPXKNMYIEQLOSP-OAQYLSRUSA-N 493.907 4.376 50 10 JIGE CC[C@@](C)(NC(=O)[C@H]1CCCN1Cc1ccccc1F)C(=O)Nc1ccc(SC#N)cc1 1866919290 LOZUNUWMEAFGIO-ZJSXRUAMSA-N 454.571 4.287 50 10 JIGE N#CSc1ccc(NC(=O)[C@@H](CSCc2ccccc2)NC(=O)c2ccc(Cl)nn2)cc1 1867271414 JKLSWGIYWBVSJF-LJQANCHMSA-N 484.006 4.374 50 10 JIGE Brc1cc(CN2CCC(Br)CC2)ccc1I 1904337578 GATHLHNCWZZESM-UHFFFAOYSA-N 458.963 4.413 50 10 JIGE ClCCc1cn(-c2cc(Br)c(I)c(Br)c2)nn1 1946435366 VLYUUGAGQRJRRB-UHFFFAOYSA-N 491.352 4.178 50 10 JIGE O=C(N[C@@H]1C[C@H](CBr)[C@@H]2C[C@@H]12)c1cc(Br)sc1Br 2048006812 XRPBXKPBHAJKON-JVZYCSMKSA-N 458.013 4.422 50 10 JIGE CCOc1c(I)cc(C=C(C#N)C(=O)Nc2ccccc2[N+](=O)[O-])cc1OC 2053514540 PTJYBAGZHDQDBZ-UHFFFAOYSA-N 493.257 4.152 50 10 JIGE Oc1cccc(F)c1Cn1nc(CBr)c(I)c1C(F)(F)F 2079250527 HPYXFCXIHNLLQQ-UHFFFAOYSA-N 479.009 4.294 50 10 JIGE CN(CC1(CBr)CC1)C(=O)c1ccc(Br)cc1I 2086148389 ZTLNUOCKVNWPEM-UHFFFAOYSA-N 486.973 4.301 50 10 JIGE CS(=O)(=O)C1(COc2c(Br)cc(CBr)cc2Br)CC1 2111592714 XKHYXXMELHIOKS-UHFFFAOYSA-N 477.012 4.063 50 10 JIGE Cc1cc(S(=O)(=O)N2C[C@H](C)N(Cc3ccccc3)C[C@@H]2C)sc1CBr 2123242899 CCTSXRBITADOFS-HOTGVXAUSA-N 457.459 4.235 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)NCC2CC(CBr)C2)cc1Br 2168556033 AXVAQVGPHQOAFG-UHFFFAOYSA-N 490.055 4.219 50 10 JIGE CC(C)[S@@](=O)(=NCC1(CBr)CCOCC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2183217306 WXMSGBVHBKKNGE-OQRWROFFSA-N 467.470 4.064 50 10 JIGE O=C(c1csc(Br)c1Br)N1CCO[C@@H]2C[C@H](CBr)C[C@H]21 2199782315 ZILOZJAZDIZRSM-SZEHBUNVSA-N 488.039 4.288 50 10 JIGE Cc1c(C=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2)c2ccccc2n1C 2295523549 IAIIJPSOCHQXAB-UHFFFAOYSA-N 479.584 4.474 50 10 JIGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccnc1 2296537408 JWHOZQMOCMTIRJ-UHFFFAOYSA-N 450.458 4.066 50 10 JIGE N#CC(=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 2297551843 QZLHZIANWHLPOR-UHFFFAOYSA-N 462.314 4.446 50 10 JIGE O=C(c1cccc(F)c1I)N1C[C@H]2CC(Br)C[C@@H](C2)C1 2364160369 JYAYOLKKELKKQA-NXEZZACHSA-N 452.105 4.066 50 10 JIGE CC1(C)CC(CBr)(CN2C[C@@H](NC(=O)C(F)(F)F)CC[C@H]2C(F)(F)F)C1 2371131721 QYBSFUKEVCHKNR-QWRGUYRKSA-N 453.265 4.262 50 10 JIGE Cc1cc(Br)ccc1OCC(=O)NNC(=O)c1cccc(OCCc2ccccc2)c1 10331610 ZEFXLEZZCTVOLO-UHFFFAOYSA-N 483.362 4.219 50 10 JIGE CC[C@@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c1 10671442 CPLFFJCVSCATBB-OLZOCXBDSA-N 484.405 4.274 50 10 JIGE CC[C@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)c1 10672100 XEHJKHAUSXDMFH-KRWDZBQOSA-N 490.585 4.066 50 10 JIGE COc1ccc(C(=O)NNC(=O)c2ccc(-c3ccccc3)cc2)cc1I 12573558 ADVDJEATZPKING-UHFFFAOYSA-N 472.282 4.042 50 10 JIGE O=C(NNC(=O)c1cccc(OCCOc2ccccc2)c1)c1ccc(NC(=O)c2ccccc2)cc1 14040935 RZGQEGRHXRRGEA-UHFFFAOYSA-N 495.535 4.472 50 10 JIGE CCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccccc1Br 14652812 KOEDBJVXXBLQIU-UHFFFAOYSA-N 456.134 4.075 50 10 JIGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccc([N+](=O)[O-])c4)c32)c1OC(=O)c1ccco1 20274575 OKGQQTICRZOPKD-LJQANCHMSA-N 499.439 4.024 50 10 JIGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)NC[C@@H]3CCCO3)c(Oc3ccc(C(C)(C)C)cc3)nc12 34807597 DAZPKAXZXMYAPF-ZHFOUCBBSA-N 486.572 4.295 50 10 JIGE COc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@H](C)Oc3ccccc3F)ccc21 38650033 XFHUFZKJTMSRAJ-IZHWHUGBSA-N 460.461 4.425 50 10 JIGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(I)c2)ccc1OC(C)=O 83292639 FCPYOSRIKSDHFB-DHDCSXOGSA-N 476.270 4.161 50 10 JIGE COc1ccc(C(=O)NNC(=O)c2oc3c(c2C)/C(=N\Nc2ccccc2)CC(C)(C)C3)cc1 101109088 YVFKHQHVEGHBEO-RRAHZORUSA-N 460.534 4.460 50 10 JIGE COc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)S(=O)(=O)c2ccc(C)cc2)cc1 102848531 UEOSYJHZCOLILT-JCMHNJIXSA-N 487.537 4.451 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)NC[C@H]2CC[C@@H](Br)C2)cc1Br 227790377 ONNYGGCAADIEET-VHSXEESVSA-N 490.055 4.362 50 10 JIGE O=C(Cc1nc(CCl)cs1)Nc1cc(Br)ccc1I 311972281 RAYLRSSIMADRKO-UHFFFAOYSA-N 471.545 4.430 50 10 JIGE CC1(C)CN(C(=O)c2cc(Br)ccc2I)C[C@H]1Br 387880157 MCBSIAJIVZZZFC-LLVKDONJSA-N 486.973 4.299 50 10 JIGE CCc1ccc(C(=O)/C=C2\SC(=Nc3ccc(C(=O)CBr)cc3)NC2=O)cc1 606657581 UCLFJYYXPKVVTH-ODLFYWEKSA-N 457.349 4.444 50 10 JIGE CO[C@@H]1CCC[C@@H](O[C@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)C1 687798926 DWCJIDINWVVVFL-RKVPGOIHSA-N 453.361 4.165 50 10 JIGE O=C(NCc1cccc(COc2ccccc2)c1)NNC(=O)c1ccc(Br)s1 918131474 GOCFPLYSPOZXNT-UHFFFAOYSA-N 460.353 4.234 50 10 JIGE COc1ccc(S(=O)(=O)N(CC(=O)NN=C(C)CCc2ccccc2)Cc2ccccc2)cc1 1084135617 YCVISJSJEXJUBH-UHFFFAOYSA-N 479.602 4.011 50 10 JIGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@@H](c2cccc(OC)c2)C(C#N)=C(N)O3)cc1 1865712485 ZWIWIZSGBPSUEJ-QFIPXVFZSA-N 451.486 4.170 50 10 JIGE Cc1ccc(-c2csc3ncn(CC(=O)NNC(=O)c4ccc5ccccc5c4)c(=O)c23)cc1 1865845155 LWPNCBJZWWRSHF-UHFFFAOYSA-N 468.538 4.048 50 10 JIGE CCC[C@H](NC(=O)c1cc(-c2ccc(F)c(F)c2)[nH]n1)C(=O)Nc1ccc(SC#N)cc1 1867092661 LXNJKXFBBHBPLB-SFHVURJKSA-N 455.490 4.465 50 10 JIGE COc1c(C)cc(C)cc1-c1csc(/C(C#N)=C(\O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)n1 1872754951 QXDQDZPRJCXKMV-ZZEZOPTASA-N 490.497 4.433 50 10 JIGE CCOC(=O)c1cc(CBr)cc(I)c1OC(F)(F)F 2055267378 DPYYBZNHLIKQNI-UHFFFAOYSA-N 452.992 4.261 50 10 JIGE CC1(C)CN(C(=O)c2ccc(Br)cc2I)[C@H]1CBr 2086145520 NKQDHVNCBPDDCS-NSHDSACASA-N 486.973 4.299 50 10 JIGE CN1CCC[C@@H]([C@H](Br)c2cc(Br)cc(Br)c2)S1(=O)=O 2089533439 ZCORIYQLGKSWKJ-NWDGAFQWSA-N 476.028 4.072 50 10 JIGE CC[C@@H]1CN(S(=O)(=O)c2ccc(CBr)cc2F)CCN1Cc1ccccc1 2179785389 LLEXVWYNLNAWCF-GOSISDBHSA-N 455.393 4.006 50 10 JIGE O=S(=O)(c1cnn(CCCBr)c1)N(Cc1ccccc1)CC1CCCCC1 2179788163 YUMBRBCJYFWLMC-UHFFFAOYSA-N 454.434 4.439 50 10 JIGE C[C@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(F)c(CBr)c2)CN1Cc1ccccc1 2179791887 XWDVRZJKBDZEFM-MAUKXSAKSA-N 455.393 4.004 50 10 JIGE Cc1cc(Br)c(S(=O)(=O)N2CCC[C@H]2[C@H](C)Br)cc1Br 2193585014 RSDPCCOJMSAZEZ-CABZTGNLSA-N 490.055 4.457 50 10 JIGE O=C(c1ccc(Br)cc1C(F)(F)F)N1C[C@H](Br)[C@@H](Br)C1 2196128868 BCVRDRJCWONBLO-UWVGGRQHSA-N 479.916 4.451 50 10 JIGE CC(C)(C)OC(=O)N1CCN(CCCCCI)[C@H](C(F)(F)F)C1 2211187534 CPMIDXZCNDTBMH-LBPRGKRZSA-N 450.283 4.075 50 10 JIGE C[C@H]1CN(C(=O)c2ccc(Cl)c(I)c2)C[C@H](C)C1Br 2268352215 YUJROMPWLXDMDJ-IUCAKERBSA-N 456.549 4.436 50 10 JIGE C[C@@H]1CCN(C(=O)Cc2cc(Br)cc(Br)c2)[C@H]1CBr 2277930606 DWFGMJVCVMOOIX-RNCFNFMXSA-N 454.000 4.386 50 10 JIGE O=C(c1c(F)cccc1I)N1C[C@H]2CCC[C@]2(CBr)C1 2282792999 VZHGWKBLRIUWFP-BMIGLBTASA-N 452.105 4.068 50 10 JIGE COC(=O)c1[nH]c2cc(OC)cc(OC)c2c1C=NNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 2321672316 KHBKOJUEKNIAFF-UHFFFAOYSA-N 474.517 4.096 50 10 JIGE CCCOc1cccc(C=NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1 2325903189 DOQLJAWHXRHABK-CVEARBPZSA-N 452.580 4.083 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NN=Cc1c(O)ccc2cc(Br)ccc12 2328829469 JDLSQYUDJIAEFM-KRWDZBQOSA-N 462.344 4.158 50 10 JIGE COc1cc(C(O)=C(C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)c([N+](=O)[O-])cc1OC 2331330783 HRHSULMJBPZSNS-UHFFFAOYSA-N 467.459 4.457 50 10 JIGE O=C(NCC(F)(F)C(F)(F)CI)c1cc(Cl)sc1Cl 2336539843 WOEQKXZXBDNHPG-UHFFFAOYSA-N 450.022 4.490 50 10 JIGE O=C(N[C@@H]1C[C@H](CBr)[C@@H]2C[C@H]12)c1ccc(Cl)cc1I 2340067286 ABRGJKANDVPRLY-XKYKYCOXSA-N 454.533 4.094 50 10 JIGE N#C/C(=C/c1cn(CCOc2ccccc2Cl)c2ccccc12)C(=O)N1CCC(C(N)=O)CC1 872857 LFPLSWNMVGDMHI-CYVLTUHYSA-N 476.964 4.005 50 10 JIGE CC[C@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2[C@@H](C)CC)cc1 10294913 NCVXOECMBSKLIE-IRXDYDNUSA-N 457.596 4.092 50 10 JIGE CC(C)(C)c1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Cl)cc1 13979234 HLVIFUZNKCSOKA-UHFFFAOYSA-N 498.830 4.115 50 10 JIGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)c1 40527361 OECLWNCUESGKPI-MYYSRTQBSA-N 460.461 4.425 50 10 JIGE COc1cc(C(=O)N/N=C2\C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)cc(OC)c1OC 40846346 FRVWPVGDGLWFSJ-QYQHSDTDSA-N 479.920 4.047 50 10 JIGE CCc1ccc(OCC(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2OC)cc1 206403488 YXYBFAJJQFBYAV-MOSHPQCFSA-N 460.486 4.058 50 10 JIGE CCCOc1ccc(/C=C(/C#N)C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2OC)cc1 206416319 YMWBGFNXHKVEIC-CYVLTUHYSA-N 471.579 4.060 50 10 JIGE O=C(COc1ccc2ccccc2c1)NCC(=O)NN=Cc1ccc(OCc2ccc(F)cc2)cc1 252607318 HAGBNSKDPAYEQM-UHFFFAOYSA-N 485.515 4.203 50 10 JIGE O=C(NN=Cc1c(O)ccc2ccccc12)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 254737944 YQKKGUDUFZPKED-UHFFFAOYSA-N 454.442 4.470 50 10 JIGE Cc1ccc(COc2ccc(C=NNC(=O)C(=O)Nc3sc4c(c3C#N)CCCC4)cc2)cc1 254751659 DKWSVHWNOWBKCX-UHFFFAOYSA-N 472.570 4.475 50 10 JIGE C[C@@H](CBr)[C@H]1CCCCN1C(=O)c1cc(I)ccc1O 696715410 WXMLFWZCZYWEBR-GXFFZTMASA-N 452.130 4.023 50 10 JIGE COc1cc(C=NNC(=O)CN2CCOCC2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 1083920200 IDZFGWDDXLFCAT-UHFFFAOYSA-N 486.783 4.017 50 10 JIGE CCOc1ccc(N(CC(=O)NN=Cc2ccccc2F)S(=O)(=O)c2ccc(Cl)cc2)cc1 1083933260 MSGNIQRYDVJQBA-UHFFFAOYSA-N 489.956 4.223 50 10 JIGE O=C(Cn1c(C(F)(F)F)nc2ccccc21)NN=Cc1ccc(OC(=O)/C=C\c2ccco2)cc1 1084241029 IKOVUFNHGMYHCA-IYIJAXQLSA-N 482.418 4.417 50 10 JIGE COc1ccc(/C(C#N)=C/c2cccc(OC(=O)[C@@H](C)N3C(=O)c4ccccc4C3=O)c2)cc1 1615066904 VYCXNZQENJSEKB-HDAKKWKLSA-N 452.466 4.349 50 10 JIGE COc1ccc(C=NNC(=O)CSc2nc3ccccc3s2)c(Br)c1O 1772760524 PFWKPRDOWAMUPD-UHFFFAOYSA-N 452.355 4.015 50 10 JIGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2)ccc1O 1865681565 QNQYLBVOXMICBZ-SFHVURJKSA-N 456.424 4.273 50 10 JIGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)cc2)c1O 1865683997 KTBPMMGJSLSTOV-OAHLLOKOSA-N 462.815 4.477 50 10 JIGE CCN(CC)C(=O)COc1ccc(/C=N\NC(=O)c2ccc(-c3ccc(C)cc3)nc2C)cc1 1865761163 DZGREJSADCPDDZ-QRQIAZFYSA-N 458.562 4.377 50 10 JIGE O=C(c1cc(Cl)ccc1I)N1CC[C@@H](Br)C12CCC2 1914449427 OKDFDPRSXWWZMX-GFCCVEGCSA-N 454.533 4.477 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OCC23CCC(CC2)OC3)C1 2083308564 XWBKMSVKTWMIPT-XUJQIHCRSA-N 465.372 4.167 50 10 JIGE CN(Cc1c(Br)cnn1C)c1ccc(CBr)cc1Br 2100251367 UZQLGKNBBNTILU-UHFFFAOYSA-N 451.988 4.476 50 10 JIGE O=C(NC[C@@H](Cl)CC(F)(F)F)c1ccc(I)c(Br)c1 2119072079 ZGZJHCBTXJDUQD-ZETCQYMHSA-N 470.454 4.343 50 10 JIGE CN(C)C[C@@H]1C[C@H](Br)CN1Cc1ccc(Br)cc1Br 2122394529 XFXQAIZFYUBSNF-STQMWFEESA-N 455.032 4.111 50 10 JIGE O=S(=O)(N(Cc1ccccc1)Cc1cccs1)N1CCC[C@@H](CCBr)C1 2123368057 AVEYSPGBWYNARV-SFHVURJKSA-N 457.459 4.492 50 10 JIGE C[C@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(Br)c(CCl)c2)CN1Cc1ccccc1 2154838055 ASXOWVJZGMZYER-MAUKXSAKSA-N 471.848 4.471 50 10 JIGE O=C(N[C@H]1CC[C@H](C(F)(F)F)N(CC2(CBr)CCCCC2)C1)C(F)(F)F 2163058515 LCWQSNUGBWDBSC-NWDGAFQWSA-N 453.265 4.406 50 10 JIGE Cc1cccc(C(=O)N2CC[C@@H](CCBr)[C@H](C)C2)c1I 2172473463 KWRBUSMHXXFDKU-CHWSQXEVSA-N 450.158 4.483 50 10 JIGE CN1C(=O)CCc2cc([C@H](Br)c3cc(I)sn3)ccc21 2176536824 FJWRZJDPGVGQMF-AWEZNQCLSA-N 463.138 4.141 50 10 JIGE CN(Cc1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(CBr)cc2F)C1 2179786080 VHARPVGMOITUPX-GOSISDBHSA-N 455.393 4.006 50 10 JIGE CC1(C)CN(S(=O)(=O)c2cc(CBr)sc2Br)CC1(F)F 2179792429 FZRAGGOOQLZLGW-UHFFFAOYSA-N 453.168 4.071 50 10 JIGE C[C@H](NC(=O)c1ccc(I)c(Br)c1)c1nnc(CCl)s1 2192617240 GKBGWPWKHXNOIB-LURJTMIESA-N 486.560 4.135 50 10 JIGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N2CCN(C)CC2)cc1 2296540354 XXGPAOLYHPIMSH-UHFFFAOYSA-N 455.562 4.009 50 10 JIGE O=C(c1cc(Br)cc(Br)c1)N1C[C@H]2CC[C@H](Br)[C@H]2C1 2328656696 KCMRUMHPMRXIEX-JCOFBHIZSA-N 451.984 4.457 50 10 JIGE Cn1nc(-c2ccccc2F)c(C#N)c1NC(=O)C(C#N)=Cc1ccc(Br)cc1 2329665489 NDCPVHJTYJBRPA-UHFFFAOYSA-N 450.271 4.406 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OCc2cnc3c(c2)CCC3)C1 2342217612 FZAOSAXREAAEPW-HXUWFJFHSA-N 472.367 4.292 50 10 JIGE C[C@H](Br)C[C@H]1CCCCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364201077 BDXMHGFQXGNVPA-ZWKOTPCHSA-N 499.471 4.201 50 10 JIGE CC(C)COc1ccccc1C(=O)NNC(=O)COc1ccc(C(C)C)cc1Br 14035019 QWHQDCQHGYUOKT-UHFFFAOYSA-N 463.372 4.447 50 10 JIGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)c(OC)c1 38657016 RAGONNVZCKKSEN-MQNRADLISA-N 490.487 4.434 50 10 JIGE CC1(C)CC(Nc2ncnc(NNC(=O)c3cccc4ccccc34)c2[N+](=O)[O-])CC(C)(C)N1 40645228 APSMZVNUMXQVMC-UHFFFAOYSA-N 463.542 4.016 50 10 JIGE Cc1ccc(NC(=O)CN2C(=O)/C(=N/NC(=O)[C@@H](C)SCc3ccccc3)c3ccccc32)cc1 59167531 NNUUOKRFOFEHJR-ALVUGIFKSA-N 486.597 4.123 50 10 JIGE CCCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2Cl)cc1 100154495 NPBAKIAWFLKPGP-UHFFFAOYSA-N 478.014 4.404 50 10 JIGE CC(C)[C@H](CBr)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 136671370 ILOXYOSKOLQLMZ-JTQLQIEISA-N 454.011 4.454 50 10 JIGE COc1cccc(CN/C=C(/C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 216509395 WJLVBYIYTJEQQZ-ROMGYVFFSA-N 466.585 4.126 50 10 JIGE O=C(NC[C@@H]1CCC[C@@H]1CCl)c1cc(I)ccc1Br 236020348 SKCLVSMIIXOBDD-ZJUUUORDSA-N 456.549 4.439 50 10 JIGE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2ccc3c(c2)OCO3)cc1 252606866 GWRZWKXVLLMQDL-ANBYXCMOSA-N 484.556 4.183 50 10 JIGE COc1cc([N+](=O)[O-])cc2cc(C(=O)NN=Cc3ccc(-c4ccc(C(=O)O)cc4C)o3)oc12 254623994 NADQIPRNUGDLOL-UHFFFAOYSA-N 463.402 4.380 50 10 JIGE Cc1cccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3sc4c(c3C#N)CCCC4)cc2)c1 254900684 BECRGDDMYXJXQF-UHFFFAOYSA-N 486.553 4.115 50 10 JIGE COc1cc(CBr)cc(Br)c1OCc1cn(C)nc1Br 714080905 TYOUKWFJLIXOBE-UHFFFAOYSA-N 468.971 4.428 50 10 JIGE COc1ccc(C[C@H](NC(=O)NNC(=O)c2cn(C)c3ccccc23)c2ccccc2)cc1OC 727473977 VLNIJFGDZDGPPU-QFIPXVFZSA-N 472.545 4.124 50 10 JIGE CCN(C(=O)CCC(=O)C(C#N)=C1N(C)c2ccccc2N1C)[C@H](C)Cc1ccc(OC)cc1 731349759 YTNLIYYCVBDXGM-LJQANCHMSA-N 460.578 4.145 50 10 JIGE CCc1ccc(OCC(=O)NN=Cc2cc(Br)c(O)c(OC)c2)c(Br)c1 1083844859 DCNSKNGGXDEWLE-UHFFFAOYSA-N 486.160 4.017 50 10 JIGE O=C1C(=NNC(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc2N1Cc1cccc([N+](=O)[O-])c1 1083946821 LXDUSIRZYWYRGF-UHFFFAOYSA-N 458.518 4.178 50 10 JIGE C#CC[C@]1(C(=O)NNc2ccc(Cl)c(Br)c2)CCCN1C(=O)OC(C)(C)C 1639215157 QYDUJPJVYUKALU-LJQANCHMSA-N 456.768 4.339 50 10 JIGE CC(=O)c1cc(C(=O)NNc2cc(C(F)(F)F)nc(-c3cccnc3)n2)ccc1OC(C)C 1654333179 SVNRSKKMMYPNLX-UHFFFAOYSA-N 459.428 4.304 50 10 JIGE COc1ccc(CCNC(=O)[C@@H](Br)Cc2ccccc2Br)cc1OC 1858181682 YXFVKHONXGWDBQ-INIZCTEOSA-N 471.189 4.131 50 10 JIGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CNC(=O)Nc3ccccc3)cc2)cc1 1858668126 PCCZDPRGWZPHSZ-UHFFFAOYSA-N 481.559 4.092 50 10 JIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)ccc1O 1865705901 IXUAEKJYVRLORT-QGZVFWFLSA-N 460.387 4.022 50 10 JIGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccc(O)c([N+](=O)[O-])c2)cc1 1865714522 MILOEBDCOHGUBY-JOCHJYFZSA-N 481.468 4.380 50 10 JIGE COc1ccccc1CCN1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(C)n2)CC1 1868480952 XFWHNBTVSKXXHR-UHFFFAOYSA-N 460.607 4.475 50 10 JIGE O=S(=O)(N[C@H](CCBr)C(F)(F)F)c1cc(Cl)c(Br)s1 1918521138 IFQQZKGIQNCVFW-RXMQYKEDSA-N 465.538 4.158 50 10 JIGE O=C(c1scc(Br)c1Br)N1C[C@@H](Br)C[C@@]2(CCCO2)C1 1924217014 DIIXYGGOCSSSAC-SDBXPKJASA-N 488.039 4.432 50 10 JIGE O=S(=O)(CCCCl)Nc1cc(Br)c(Br)c(Br)c1 1946435626 YQDXHPUAIWUMSQ-UHFFFAOYSA-N 470.408 4.345 50 10 JIGE CN(C(=O)c1cc(Br)ccc1I)C1(CBr)CC1 2012607853 PQTLCBDEBJFGRY-UHFFFAOYSA-N 472.946 4.053 50 10 JIGE Cc1cc(C)c(CCl)c(-n2c(C)nc(I)c2I)n1 2028583162 HNFVQGUWKHPKBY-UHFFFAOYSA-N 487.510 4.141 50 10 JIGE O=C(c1csc(Br)c1Br)N1CC[C@H]2[C@H](C1)[C@@H]2CBr 2032953273 GJHINKVPMTXHDQ-PRJMDXOYSA-N 458.013 4.376 50 10 JIGE COc1ccc(C=C2N=C(SCC(=O)C(C#N)=C(C)N)N(c3ccc(OC(F)F)cc3)C2=O)cc1 2042438539 VSGCBXMZVSQICX-UHFFFAOYSA-N 498.511 4.099 50 10 JIGE CN(C)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(CBr)cc1Br 2059312925 RAQOIWTTYYOVSO-UHFFFAOYSA-N 490.261 4.097 50 10 JIGE Cc1c(Br)ccc([C@H](Br)[C@H]2CCS(=O)(=O)C2)c1Br 2083336968 GHJXYHBDIWFNSK-QPUJVOFHSA-N 461.013 4.391 50 10 JIGE CC[C@@H](C)[C@@H](CI)NC(=O)c1ccc(I)c(C)c1 2086031076 WJUFUTSISQDAFQ-NOZJJQNGSA-N 471.120 4.179 50 10 JIGE CC(C)[C@@H](Br)[C@@H](C)NS(=O)(=O)c1cc(Br)ccc1Br 2103004890 JMUYFPIBSILHES-PRHODGIISA-N 478.044 4.298 50 10 JIGE CC(C)(C)OC(=O)NC[C@@H]1CN(C[C@H](Br)C(F)(F)F)CC[C@H]1C(F)(F)F 2106785580 PPARPWSTCIINIZ-MXWKQRLJSA-N 457.253 4.337 50 10 JIGE O=C(NCC1(F)CC(CBr)C1)c1ccc(I)c(Cl)c1 2112252301 BLOFSGVOFROVOI-UHFFFAOYSA-N 460.512 4.188 50 10 JIGE O=C(c1c(Br)cccc1Br)N1C[C@@H]2[C@H](CBr)C[C@H]2C1 2117689955 PRXBARRQIUZWAM-LPEHRKFASA-N 451.984 4.315 50 10 JIGE O=S(=O)(c1cc(CBr)sc1Br)N1CCS[C@H]2CCC[C@H]21 2179790114 ZRYSBGRKOFPFRE-ZJUUUORDSA-N 461.266 4.064 50 10 JIGE Cc1c(CBr)cc(Cl)cc1S(=O)(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 2179860983 AEINTZAYJJEIRQ-IBGZPJMESA-N 471.848 4.438 50 10 JIGE CCOc1cc(C=C(C#N)C(=O)NC2CCCCC2)ccc1OCC(=O)Nc1ccccc1OC 2293485573 HKVFIVZPWHHRGR-UHFFFAOYSA-N 477.561 4.467 50 10 JIGE Cc1cc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)NCCCOC(C)C)ccc1Cl 2296543507 IPSMMBOXHRFDOV-UHFFFAOYSA-N 480.952 4.287 50 10 JIGE COc1ccc(Cl)cc1C=NNC(=O)COc1ccc(Cl)cc1I 2297708205 NDEGWQINLAQYIB-UHFFFAOYSA-N 479.101 4.136 50 10 JIGE CCOc1c(Br)cc(C=NNC(=O)Cc2cc(OC)ccc2Cl)cc1OC 2323676449 XIDKWKCXTISYRX-UHFFFAOYSA-N 455.736 4.211 50 10 JIGE CCN(CC)Cc1ccc(C=NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 2325903387 KAZVVTGWSJFBAI-QZTJIDSGSA-N 479.650 4.136 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@H]2C[C@@H](CCl)[C@H]2C1 2330494192 KYQHCJXYGZZXQR-YGOYTEALSA-N 454.533 4.001 50 10 JIGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NCC[C@@H]1CCCC[C@H]1Br 2364191061 SOAMIQUQLLLTAI-FXAWDEMLSA-N 499.471 4.106 50 10 JIGE C[C@@H](Cl)CN(C1CCCC1)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2368865819 DPHXTJQTGKRSNF-QGZVFWFLSA-N 455.020 4.045 50 10 JIGE CC(C)(C)OC(=O)N[C@@]12CCC(F)(F)C[C@@H]1CN(C[C@]1(CBr)CC1(F)F)C2 2379987591 LLQWQALSLQTTEX-DAXOMENPSA-N 459.322 4.421 50 10 JIGE CC[C@@H](Oc1ccccc1C)C(=O)NNC(=O)COc1ccc2ccccc2c1Br 13995208 SIBQXQZKVWVTDS-GOSISDBHSA-N 471.351 4.295 50 10 JIGE CCCCCN1C(=O)/C(=N/NC(=O)COc2ccc(Br)cc2)c2cc(C)ccc21 33959318 GEYDWZKWZHDVKO-NJNXFGOHSA-N 458.356 4.194 50 10 JIGE C[C@@H]1CN(C(=O)CN2CCc3sccc3[C@@H]2c2ccccc2)CCN1C(=O)C(C)(C)CCl 34829600 BUXHQTVXGMGAMJ-JPYJTQIMSA-N 474.070 4.020 50 10 JIGE CCOC(=O)C1=C(c2ccc(OC)cc2)OC(N)=C(C#N)[C@H]1c1cccc(OCC)c1OCC 35576500 GHEFWLFEFPJBLQ-OAQYLSRUSA-N 464.518 4.275 50 10 JIGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1ccccc1-c1ccccc1 41016726 DQKGJSZCJWZIAB-HAVVHWLPSA-N 498.535 4.112 50 10 JIGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)c2ccc(Br)cc2)c(Br)c1 100446035 UHKAEEMBXMQZAG-UHFFFAOYSA-N 484.188 4.349 50 10 JIGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CCCC[C@H]1CCBr 124204793 GBIKIBFYCQHWSH-QMMMGPOBSA-N 451.633 4.492 50 10 JIGE COc1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc([N+](=O)[O-])cc2)cc1 205645874 VTMDZNZBVSTNJB-NZVBECTDSA-N 469.453 4.440 50 10 JIGE Cc1c(Cl)cccc1NC(=O)CCC(=O)NN=Cc1cccc(I)c1 252624268 PKLVTUOAKMSNMA-UHFFFAOYSA-N 469.710 4.122 50 10 JIGE CS(=O)(=O)N(Cc1ccc(C(=O)NN=Cc2c(O)ccc3ccccc23)cc1)c1ccccc1 254392040 LQFPYTMNDXZSTD-UHFFFAOYSA-N 473.554 4.276 50 10 JIGE Cc1cccc(-n2c(C)cc(C=NNC(=O)CN(c3cccc4ccccc34)S(C)(=O)=O)c2C)c1 725404048 FQDWKCZXOOUHPC-UHFFFAOYSA-N 488.613 4.472 50 10 JIGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccn2)c1OC 1865700750 CSJVSSSBBKFSMV-NRFANRHFSA-N 451.486 4.170 50 10 JIGE CCc1cccc(CC)c1N1C[C@H](C(=O)NNC(=O)c2ccc(-c3ccc(F)cc3)nc2C)CC1=O 1865758082 IKTHQCQQQGPJJU-OAQYLSRUSA-N 488.563 4.135 50 10 JIGE CN(C)[C@@H](C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1)c1ccccc1 1866705347 VFYROTVXRHBPJO-BJKOFHAPSA-N 476.577 4.368 50 10 JIGE C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)N(S(=O)(=O)c2cc(CCl)oc2Br)C1 1921420281 UMCMSBKDIXJBNJ-HUUCEWRRSA-N 475.836 4.312 50 10 JIGE CCOC(=O)Cc1c(Br)cc(I)cc1CBr 2054991212 HBNSSCMFEXTQSH-UHFFFAOYSA-N 461.919 4.054 50 10 JIGE CCOC(=O)Cc1cc(CBr)cc(OC(F)(F)F)c1I 2055275576 MKXAYAYAWDBXKK-UHFFFAOYSA-N 467.019 4.190 50 10 JIGE BrC[C@@H]1C[C@H]2OCC[C@H]2N1Cc1ccc(Br)cc1Br 2092260315 FTDGLQILGSDNPF-IACUBPJLSA-N 454.000 4.338 50 10 JIGE O=C(c1cc(Br)ccc1I)N1C[C@@H]2C[C@H](CBr)[C@@H]2C1 2117680408 GWEKIWBVNLOBSX-PTRXPTGYSA-N 498.984 4.157 50 10 JIGE Brc1cccc(CN2CCO[C@@H]3C[C@@H](Br)C[C@@H]32)c1Br 2128883850 LDIQIAKDWGJNPU-WCFLWFBJSA-N 454.000 4.338 50 10 JIGE O=S(=O)(c1cc(CCl)sc1Br)N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 2132362204 FVOVVIDAASRHIY-ZBFHGGJFSA-N 475.861 4.144 50 10 JIGE O=C(c1cccc(F)c1I)N1CC[C@@H]2C[C@@H](Br)CC[C@H]21 2143974317 OJSMSYYFVGTOKQ-GBIKHYSHSA-N 452.105 4.208 50 10 JIGE O=C(c1cccc(F)c1I)N1CCC[C@@H](CCCBr)C1 2234191820 NUJWCVWYYGUEEJ-LLVKDONJSA-N 454.121 4.458 50 10 JIGE C[C@H]1CN(C(=O)Cc2cc(Br)cc(Br)c2)CC[C@H]1Br 2277933522 VFFKUFAATREFHM-TVQRCGJNSA-N 454.000 4.386 50 10 JIGE COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cn(C)c3ccccc23)cc1OC 2297325609 HZNCMBHUSXAKSI-UHFFFAOYSA-N 482.540 4.117 50 10 JIGE C=CCN1C(=O)C(=Cc2cn(-c3ccc([N+](=O)[O-])cc3)nc2-c2ccccc2)C(C)=C(C#N)C1=O 2314616740 ISDMOKWNQCEYLC-UHFFFAOYSA-N 465.469 4.226 50 10 JIGE CC(=O)OCCCN1C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3)cc2)C(C)=C(C#N)C1=O 2314620363 OFILMLSGNVKVQO-UHFFFAOYSA-N 478.932 4.464 50 10 JIGE O=C(CCc1nc2ccccc2[nH]c1=O)NN=Cc1ccc(OCCCc2ccccc2)cc1 2323098174 NHPWRMNMDICNLH-UHFFFAOYSA-N 454.530 4.018 50 10 JIGE CCOC(=O)c1ccc(NC(=O)C(C#N)=CNc2ccc(I)cc2C)cc1 2324332829 ROQWLQRZRWUVJW-UHFFFAOYSA-N 475.286 4.234 50 10 JIGE Cc1cc(I)ccc1NC=C(C#N)C(=O)NCc1ccccc1Cl 2324705786 PJFAZHPEFBBYDO-UHFFFAOYSA-N 451.695 4.389 50 10 JIGE O=C(N[C@H]1C[C@@H](CBr)[C@@H]2C[C@@H]12)c1cc(Br)ccc1I 2329870045 LEUOQXAPKXVTBC-OIORRXCASA-N 498.984 4.203 50 10 JIGE O=S(=O)(c1csc(CBr)c1)N1CC[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2331087693 MHOOAFNWMHGEGE-DLBZAZTESA-N 455.443 4.071 50 10 JIGE COc1ccc([C@H](Cl)c2c(Br)nc(C)n2C)cc1I 2337325734 LETCUWJOLSKLLX-NSHDSACASA-N 455.521 4.432 50 10 JIGE CS[C@H]1C[C@H](CN(C)S(=O)(=O)c2cc(CBr)sc2Br)C1 2360914426 YKNZJVRVSVLEAK-KYZUINATSA-N 463.282 4.168 50 10 JIGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=O)c1cccs1 12490995 WWFNOJMZHVPBMD-UHFFFAOYSA-N 484.169 4.266 50 10 JIGE O=C(CCC1CCCCC1)NC(=S)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 14029306 ZISQYILMHDYMAL-UHFFFAOYSA-N 458.628 4.201 50 10 JIGE CCCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 14032433 YDBCLYUVKOOPBC-UHFFFAOYSA-N 490.585 4.067 50 10 JIGE Cc1cc(OCC(=O)NNC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)ccc1Br 14038699 KEYHCOSRRQLIJO-QGZVFWFLSA-N 483.362 4.418 50 10 JIGE CCOC(=O)c1cc(Cl)c(NC(=O)/C(C#N)=C/c2ccc(OCC)c(OC)c2)cc1OC 41013214 MLMIHMTUKFYXSN-OQLLNIDSSA-N 458.898 4.478 50 10 JIGE Cc1cccc(O[C@H](C)C(=O)NNC(=O)CCc2nc3ccccc3n2-c2ccccc2)c1C 72110742 RGWGTTOGKBYAOW-HXUWFJFHSA-N 456.546 4.190 50 10 JIGE O=S1(=O)CC[C@H](C(CBr)(CBr)Cc2ccc(Cl)s2)C1 118669519 SADGYIITDGUCRQ-VIFPVBQESA-N 450.645 4.155 50 10 JIGE CC[C@H](NC(=O)/C(C#N)=C\N1CCN(C(=O)OC(C)(C)C)CC1)c1ccc2c(c1)CCCC2 217193965 RYHGJEJVYAYSDJ-NMFWXREBSA-N 452.599 4.093 50 10 JIGE O=C1NCCCc2ccc([C@H](Br)c3ccc(I)cc3)cc21 228229940 WAMTXZAPHCKSQL-MRXNPFEDSA-N 456.121 4.452 50 10 JIGE CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=C(C)c2cc(O)ccc2O)cc1 252602754 FKWXHTBRLBSUIZ-SQBDFOJMSA-N 486.572 4.255 50 10 JIGE CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNC(=O)c2cc(Br)cn2C)cs1 767325576 CKGOYYIYCVGNII-UHFFFAOYSA-N 480.775 4.346 50 10 JIGE Cc1nc(CCNC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)cs1 914453173 AGPFSDYTPGYQQC-GZTJUZNOSA-N 450.955 4.148 50 10 JIGE CCOc1cc(C=NNC(=O)COc2c(C)cc(Br)cc2Br)ccc1O 1083991743 MFYTVBMJJYZFDK-UHFFFAOYSA-N 486.160 4.153 50 10 JIGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2cc(F)ccc2SCC(F)F)cc1 1562415534 VAUXUONREBVLMZ-GFCCVEGCSA-N 455.458 4.006 50 10 JIGE O=C(CSc1nc2ccccc2o1)NN=Cc1cc(Br)cc(Br)c1O 1772760574 VSDWMBFBUYAFNX-UHFFFAOYSA-N 485.157 4.301 50 10 JIGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Br)cc2)cc(OC)c1OC 1865691802 BHTYDGDEEVSKAQ-FQEVSTJZSA-N 497.349 4.187 50 10 JIGE COC[C@](C)(CBr)CNC(=O)c1csc(Br)c1Br 1926991551 BPBANMYHYQHURG-LLVKDONJSA-N 464.017 4.051 50 10 JIGE CC[C@@H](NC(=O)c1ccc(Br)cc1I)[C@H](C)Br 2026222070 SWMYFVDLPBTXIG-WRWORJQWSA-N 474.962 4.346 50 10 JIGE O=C(CBr)c1ccc(I)c(Cl)c1I 2060100402 LUHKJSFZABVGAH-UHFFFAOYSA-N 485.284 4.127 50 10 JIGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@H](CNC(=O)c2ccc(CCl)cc2)C1 2084717667 PTWZNZPCXFMPLZ-JOCHJYFZSA-N 458.002 4.277 50 10 JIGE N#CC1CC(O)(COc2c(Br)cc(Br)cc2CBr)C1 2090192093 NSVYXYQGIDMLNN-UHFFFAOYSA-N 453.956 4.150 50 10 JIGE CS(=O)(=O)c1csc([C@@H](Br)c2cccc(F)c2I)c1 2093082071 ORVJYWHLENVZEJ-NSHDSACASA-N 475.142 4.380 50 10 JIGE CCc1nn(-c2ncc(Br)cc2CCl)c(CC)c1I 2093909596 NNCAVDNBWBVKQR-UHFFFAOYSA-N 454.537 4.498 50 10 JIGE O=C(c1csc(I)c1)N1CC[C@](CBr)(C(F)(F)F)C1 2111393814 DRYZRJAELPPPBX-SNVBAGLBSA-N 468.076 4.142 50 10 JIGE O=C(c1cc(Br)ccc1Br)N1C[C@H]2C[C@@H](Br)C[C@H]2C1 2128629672 BCALLIFBGIHCRD-DOFRTFSJSA-N 451.984 4.457 50 10 JIGE CCCN1CC[C@@H]([C@@H](Br)c2ccc(I)c(Cl)c2)S1(=O)=O 2145770044 RJCZCPBWGPICOK-STQMWFEESA-N 492.604 4.195 50 10 JIGE CO[C@@H]1CC(O[C@H](CI)c2ccccc2Br)C[C@H]1OC 2166422158 WIDIFIJYXBXFHK-RBSFLKMASA-N 455.130 4.134 50 10 JIGE CN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)Cc1cccc(CBr)c1 2179776764 XMUPJHWOSKJMLL-UHFFFAOYSA-N 451.430 4.008 50 10 JIGE O=S(=O)(c1cc(CBr)sc1Br)N1CCC(C(F)F)CC1 2179785264 JOSCHQNYCYLGAQ-UHFFFAOYSA-N 453.168 4.071 50 10 JIGE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](NS(=O)(=O)c2ccc(CBr)cc2)CC1 2189862148 UEYXGIXRRKNUHI-CVEARBPZSA-N 461.422 4.086 50 10 JIGE Cn1ncc([C@H](Br)c2ccc([C@@H]3CCOC3)s2)c1I 2231746637 QKBVSPHZVWKASR-PELKAZGASA-N 453.143 4.074 50 10 JIGE O=C(c1csc(I)c1)N1CCC(CBr)(C(F)F)CC1 2274202743 UJVKHIUPPMTEQH-UHFFFAOYSA-N 464.113 4.235 50 10 JIGE COCCn1nc(Br)nc1N(Cc1ccccc1)[C@H](CBr)C(C)C 2307993677 RTAYQNAEBSQULX-OAHLLOKOSA-N 460.214 4.113 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OC[C@@H]2COC3(C)CC2C3)C1 2317959252 HREXJWYTGIPOIE-ZVKBKPGUSA-N 465.372 4.023 50 10 JIGE O=C(CCc1nc2ccccc2[nH]c1=O)NN=Cc1ccc(OCc2cccc(Cl)c2)cc1 2321687225 GJKSCTKADSBWOD-UHFFFAOYSA-N 460.921 4.238 50 10 JIGE CCCOc1cccc(C=NNC(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)c1 2325904588 CKOSREVLHSIMSF-UHFFFAOYSA-N 460.559 4.373 50 10 JIGE O=C(c1ccc(Cl)cc1I)N1C[C@H]2[C@@H](Br)CC[C@H]2C1 2340055541 FUPXMNVNJJGOKC-AXTRIDKLSA-N 454.533 4.190 50 10 JIGE O=C(N[C@@H]1C[C@H](CBr)[C@H]2C[C@@H]21)c1ccc(Cl)cc1I 2340067284 ABRGJKANDVPRLY-DRYIUFOISA-N 454.533 4.094 50 10 JIGE CC(C)(C)OC(=O)N[C@@]12CCC(F)(F)C[C@@H]1CN(C[C@@H](Br)C(F)(F)F)C2 2344115721 MHJKYWSHZAXGQP-JTNHKYCSSA-N 451.274 4.327 50 10 JIGE CO[C@@]1(CBr)CCCN(Cc2cc(I)ccc2Cl)C1 2352417636 LXVVZPVCWZDNDM-CQSZACIVSA-N 458.565 4.321 50 10 JIGE Cn1nc(Br)c(Br)c1C(=O)NCC1(CBr)CCCCC1 2364032201 RDCUVQZOCYOGHX-UHFFFAOYSA-N 472.019 4.020 50 10 JIGE CC(C)[C@@H](Br)C(C)(C)CNC(=O)c1cc(I)ccc1O 2365853694 ANUKUYZXDDCPPC-CYBMUJFWSA-N 454.146 4.172 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)[C@H](Br)C2CCCC2)[C@@H]1C(F)(F)F 2370173278 VQAQRVUCDHDPNR-BFHYXJOUSA-N 457.331 4.387 50 10 JIGE C[C@H](Oc1ccccc1Cl)C(=O)NNC(=O)COc1ccc2ccccc2c1Br 14026806 AHXJPHZZTHJTBT-ZDUSSCGKSA-N 477.742 4.249 50 10 JIGE Cc1cc(Br)ccc1OCC(=O)NNC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 14665889 PFRWIJCKSORMMU-HNNXBMFYSA-N 463.372 4.049 50 10 JIGE COc1ccccc1C(=O)NNC(=O)c1ccc(OCCc2ccccc2)c(Br)c1 14766851 ICBZMXBLMKBEQT-UHFFFAOYSA-N 469.335 4.154 50 10 JIGE C=CCn1c(CNc2ccccc2)nnc1S[C@H](C)C(=O)N/N=C/c1c(C)nn(C(C)C)c1C 20805180 SQRFBCFKMUXFFR-YMSFFTPVSA-N 480.642 4.101 50 10 JIGE C/C(=N\NC(=O)COc1ccc(Br)cc1Br)c1ccc([N+](=O)[O-])cc1 33959001 GCZRPAPHDLUWDX-VXLYETTFSA-N 471.105 4.039 50 10 JIGE O=C(N/N=C1\C(=O)N(Cc2cccc([N+](=O)[O-])c2)c2ccccc21)c1cc(F)c(F)cc1Cl 59158387 ROZJWEZKIZSTMP-QOMWVZHYSA-N 470.819 4.207 50 10 JIGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)/C1=C/c1cn(-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 101333860 MQULWQKRDFNBLV-LPYMAVHISA-N 467.485 4.448 50 10 JIGE CN(C(C)(C)CBr)S(=O)(=O)c1cc(Br)ccc1Br 128668829 IWYNXSBVKZUADU-UHFFFAOYSA-N 464.017 4.006 50 10 JIGE C=CCOc1ccc(C=NNC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccccc2)cc1 252618838 LKDAYIGZQIMUMS-UHFFFAOYSA-N 477.586 4.214 50 10 JIGE CCOc1ccccc1OCC(=O)NN=Cc1ccc(OC(=O)c2ccc(F)cc2)c(OCC)c1 254450273 SYONPHPHKNRRMH-UHFFFAOYSA-N 480.492 4.371 50 10 JIGE COc1ccc(C=NNC(=O)Cn2c(C)nc3ccccc32)cc1COc1ccc(F)cc1F 254481525 XBPAKSABZREXBJ-UHFFFAOYSA-N 464.472 4.361 50 10 JIGE CC[C@@H](CBr)N(C)C(=O)c1cc(Br)ccc1I 379140244 FIRVQGUNVMSMBS-VIFPVBQESA-N 474.962 4.299 50 10 JIGE CC(C)(C)OC(=O)N1C[C@H](c2cc(I)ccc2N)[C@@H](CBr)C1 382709286 GJWBRMCCCJSHNE-GWCFXTLKSA-N 481.172 4.219 50 10 JIGE C[C@H]1CCCN(S(=O)(=O)c2cc(Br)ccc2Br)[C@@H]1CBr 688617837 MHJABFKWBCCYDO-JOYOIKCWSA-N 490.055 4.396 50 10 JIGE O=S(=O)(N[C@@H](CCl)CC(F)(F)F)c1cc(Br)ccc1Br 717808245 LOUGTLZJIBMSOG-SSDOTTSWSA-N 459.509 4.050 50 10 JIGE CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(S(=O)(=O)C[C@@H]3CCCO3)cc2)c1C 731336800 SQGNMWBOWQFXSL-QFVBLGFASA-N 469.607 4.403 50 10 JIGE C[C@@H]1C[C@@H](C)CN(C(=O)COC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)C1 782094412 GIWOIKBOFLJJFA-CLBJDOSESA-N 479.968 4.072 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)cc2)[C@@H]1c1ccc(O)cc1O 1865681879 ZAWWICQTBXUGQR-MRXNPFEDSA-N 462.815 4.233 50 10 JIGE COC(=O)c1c(NC(=O)[C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)sc(/C(C)=C/C#N)c1C 1873427060 FXDFWZWEGWFOSD-WJANQJKRSA-N 451.548 4.318 50 10 JIGE COCC(COC)COc1c(Br)cc(Br)cc1CBr 1910128532 HBNUOPIPYBJDQG-UHFFFAOYSA-N 460.988 4.394 50 10 JIGE C[C@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1sccc1Br 1914347463 FQOKERNKHPKALW-LLVKDONJSA-N 453.221 4.485 50 10 JIGE O=C(NC[C@@H](Br)CBr)c1cc(Br)cc(Br)c1 1981564466 GUZAZEKQBOUVCX-VIFPVBQESA-N 478.804 4.100 50 10 JIGE O=C(Nc1ccc(Br)c(I)c1)[C@H]1C[C@@H](Br)C1 1991419629 JQJVZBLKZCTXSD-KNVOCYPGSA-N 458.919 4.166 50 10 JIGE CC(C)[C@H]1CN(S(=O)(=O)c2ccc(CBr)s2)CCN1Cc1ccccc1 2123237852 RGSMQMUHLXSZIC-GOSISDBHSA-N 457.459 4.174 50 10 JIGE CC(C)(C)OC(=O)NC[C@@H]1CC[S@@](=O)(=NC(=O)[C@H](Br)C2CCCC2)C1(C)C 2167033477 RKHKKPYBNJHPGG-WDYLCZHCSA-N 465.454 4.258 50 10 JIGE CN(C[C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(CBr)c(Cl)c1 2179790918 KLGBRNZXOAOAOV-KRWDZBQOSA-N 471.848 4.378 50 10 JIGE CCCN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)[C@H]1CC[C@H](CBr)C1 2179825286 FTFLTWCZJKNSEX-FPOVZHCZSA-N 457.478 4.256 50 10 JIGE COc1ccc(OCC(=O)NN=Cc2ccc(OC(=O)C=Cc3ccco3)cc2)c(Br)c1 2296654006 KQGLQVQMRXLREN-UHFFFAOYSA-N 499.317 4.199 50 10 JIGE O=C(N[C@H]1C[C@@H]2C[C@H]1C[C@@H]2Cl)c1cc(I)ccc1Br 2330914685 KVAKKPHNUJHYBG-XMUKKISLSA-N 454.533 4.189 50 10 JIGE C[C@@H](C(O)=C(C#N)c1nc(-c2ccc3c(c2)OCCO3)cs1)N1C(=O)c2ccccc2C1=O 2331330062 PZVYJJHSAKXRHV-ZDUSSCGKSA-N 459.483 4.059 50 10 JIGE COc1ccc(CC(=O)N[C@H](CCBr)COCc2ccccc2)c(Br)c1 2343413929 YRHGSZBZHAHGGA-QGZVFWFLSA-N 485.216 4.487 50 10 JIGE CCCCOc1ccc(Br)cc1C(=O)NNC(=O)[C@H](C)Oc1ccc(C)c(C)c1 10153204 UNSKFZIMTCINHQ-INIZCTEOSA-N 463.372 4.473 50 10 JIGE CC(C)Oc1cccc(C(=O)NC(=S)NNC(=O)CCCOc2ccc(Cl)cc2Cl)c1 10471859 CDFBNXJBMPLEHY-UHFFFAOYSA-N 484.405 4.275 50 10 JIGE Nc1c(NNC(=O)c2ccc(Br)cc2)ncnc1Nc1ccc(C(F)(F)F)cc1 40784546 UGBYRNIVXWHZIO-UHFFFAOYSA-N 467.249 4.341 50 10 JIGE O=C(COc1ccc(-c2ccccc2)cc1Br)N/N=C/c1ccccc1C(=O)O 40911340 KYDALFFIWYLLBB-ZMOGYAJESA-N 453.292 4.343 50 10 JIGE CCOC(=O)c1sc2ncnc(NNC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)c2c1C 96470014 BAWQJJFHLCWFEH-SNVBAGLBSA-N 469.350 4.394 50 10 JIGE O=C(COc1ccc(Cl)cc1)N/N=C1/C(=O)N(CCOc2ccc(Cl)cc2)c2ccccc21 102434858 IHSMEZZPWBAZOW-WEMUOSSPSA-N 484.339 4.318 50 10 JIGE COc1ccc(C(=O)Oc2c(Br)cc(C=NNC(=O)c3ccccc3)cc2OC)cc1 252617520 KUSMKWHSXBBVAU-UHFFFAOYSA-N 483.318 4.449 50 10 JIGE Cc1ccc(Cn2c(SCC(=O)NN=Cc3ccccc3OCC(=O)O)nc3ccccc32)cc1 254568893 MMGREINXECAQOH-UHFFFAOYSA-N 488.569 4.099 50 10 JIGE COc1ccc(-c2cc(C(=O)NN=C(C)c3ccc(NS(C)(=O)=O)cc3)c3ccccc3n2)cc1 254628321 OVCSGERTQWYTKI-UHFFFAOYSA-N 488.569 4.436 50 10 JIGE C[C@H](Br)C[C@H]1CCCCN1C(=O)c1cc(I)ccc1O 312348934 IBKVYDFGYGKSDT-CMPLNLGQSA-N 452.130 4.165 50 10 JIGE O=S1(=O)CC[C@H](CCOc2c(Br)cc(CBr)cc2Br)C1 696931473 ZOMZWOKXALIZPO-VIFPVBQESA-N 491.039 4.310 50 10 JIGE CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1 730516302 FGTCMOWDZUQKHH-INIZCTEOSA-N 462.637 4.110 50 10 JIGE CN(Cc1ccccc1)C(=O)COC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1 782093936 BQHFRUWIBLXENZ-KGENOOAVSA-N 487.947 4.226 50 10 JIGE Cc1cc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)c(C)n1C[C@@H]1CCCO1 852997400 CBYXDJVIXHMKSA-VPDSUYNESA-N 492.601 4.183 50 10 JIGE COc1cc(C=NNC(=O)CSCc2ccccc2)ccc1OCc1ccc(C(=O)O)cc1 1084414921 UZYHTFFVAWTJKF-UHFFFAOYSA-N 464.543 4.356 50 10 JIGE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1609508028 YRTDMADUBAGKIK-LBPRGKRZSA-N 452.817 4.093 50 10 JIGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ncc(-c3ccc(C)cc3C)s2)cc1 1661531991 YWBUNHDDCJEFPN-MRXNPFEDSA-N 452.536 4.250 50 10 JIGE Cc1ccccc1C(=O)NCCc1ccc(S(=O)(=O)NC(=O)Nc2ccc(SC#N)cc2)cc1 1858989969 VOGZKFAUIMHQOY-UHFFFAOYSA-N 494.598 4.051 50 10 JIGE COc1ccc(/C=C(\C#N)C(=O)N[C@H]2CCCc3c2c(C)nn3Cc2ccccc2)cc1OC 1866130237 IYJCSYYBDIJTCN-AMUNLKFJSA-N 456.546 4.358 50 10 JIGE C=Cc1ccccc1OCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1 1867264148 DATWSCSEDDJVDW-QHCPKHFHSA-N 473.554 4.353 50 10 JIGE COC(=O)c1ccccc1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccccc3OC)cs2)CC1=O 1872746904 FGBLSVBIZWPBPV-ACNSNUFOSA-N 475.526 4.451 50 10 JIGE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)C[C@@H](CBr)CC1CC1 1961126091 LPYGFLNEURVFNI-QGZVFWFLSA-N 478.472 4.149 50 10 JIGE BrCc1c(Br)cccc1N1C[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2036446952 ZXSXSGUSGQSFMQ-UXHICEINSA-N 466.217 4.434 50 10 JIGE CC(C)(C)OC(=O)NCCSSCCNCc1cc(Br)cc(F)c1O 2061261560 AJEJKEPLXAXFIP-UHFFFAOYSA-N 455.415 4.290 50 10 JIGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(O[C@@H]2COC3(CCCC3)C2)C1 2069129870 XVYJEIAYIGQIIM-KXBFYZLASA-N 465.372 4.309 50 10 JIGE O=C(c1scc(Br)c1Br)N1CC[C@H](OCCCBr)C1 2142046454 VOWWEOWIAGNYSI-QMMMGPOBSA-N 476.028 4.289 50 10 JIGE C[C@H]1CCN(Cc2ccccc2)CCN1S(=O)(=O)c1ccc(CBr)cc1F 2179788132 YLKJSCSFBSJUIX-INIZCTEOSA-N 455.393 4.006 50 10 JIGE COc1c(CBr)cc(Cl)cc1S(=O)(=O)N(C)CCCOCc1ccccc1 2179827470 FTGPJPPKZIEXKK-UHFFFAOYSA-N 476.820 4.471 50 10 JIGE CN([C@H](CBr)CC1CC1)S(=O)(=O)c1cc(Br)ccc1Br 2234558770 KYXLNUDXTDJJNP-NSHDSACASA-N 490.055 4.396 50 10 JIGE O=S1(=O)CCC([C@H](Br)Cc2cc(Br)cc(Br)c2)CC1 2277950585 WWTKBCLBOVWURI-CYBMUJFWSA-N 475.040 4.342 50 10 JIGE CN(Cc1c(Br)c(Br)nn1C)C[C@H](CBr)C(C)(C)C 2338954613 WGANZJPBAHGCJV-VIFPVBQESA-N 460.052 4.434 50 10 JIGE C[C@H](NCc1ccc(I)c(Br)c1)c1nnc(CCl)s1 2349853758 JITJYJWMXNUNJV-ZETCQYMHSA-N 472.577 4.495 50 10 JIGE O=C(NNC(=O)c1ccc(Br)o1)c1ccc(SCc2cccc(F)c2)c([N+](=O)[O-])c1 3020512 RZQRLYLGKBAQEA-UHFFFAOYSA-N 494.298 4.457 50 10 JIGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=O)c1ccccc1OCCOc1ccccc1 14040544 QJVBMMVWNGJVOS-HXUWFJFHSA-N 462.546 4.498 50 10 JIGE CC(C)CC(=O)Nc1ccc(C(=O)NNC(=O)c2cc(Br)ccc2OC(C)C)cc1 14668057 NJXZTJYHTYJSKN-UHFFFAOYSA-N 476.371 4.296 50 10 JIGE COC(=O)c1cc(Br)cc(Br)c1NC(=O)[C@H](Br)C(C)C 37790451 ZZYLSHPJNCGTMD-SNVBAGLBSA-N 471.971 4.356 50 10 JIGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)c1 38701061 JSDRXBRLHRHNFE-UIOOFZCWSA-N 482.492 4.215 50 10 JIGE COc1cc(OC)c(Nc2ncnc(NNC(=O)c3cccc(Cl)c3)c2[N+](=O)[O-])cc1Cl 40658599 RUVPJGLANOVFGP-UHFFFAOYSA-N 479.280 4.209 50 10 JIGE CC[C@](C)(CCBr)NS(=O)(=O)c1cc(Br)ccc1Br 228585780 WJHFJSUVUCHUGR-GFCCVEGCSA-N 478.044 4.444 50 10 JIGE CC(C)[C@H](CI)NC(=O)c1ccc(I)c(Cl)c1 232733092 SUGHETANNZCHOX-NSHDSACASA-N 477.511 4.134 50 10 JIGE CC(C)(CNC(=O)c1cc(Br)ccc1Br)OCCBr 382327601 SVLCYYGHMCNGPQ-UHFFFAOYSA-N 457.988 4.132 50 10 JIGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@H]2C[C@H](Br)C[C@H]1C2 709861473 LKKURLCQXTVLCA-INTQDDNPSA-N 488.039 4.148 50 10 JIGE CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)NNC(=O)COc1cc(C)ccc1C(C)C)O[C@@H](C)C2 730468634 CSKVKMOFMRGHBK-XJABCFGWSA-N 466.578 4.170 50 10 JIGE COc1ccccc1C(=O)NN=Cc1ccc(OC(=O)c2ccc(Br)cc2)cc1 1081105047 LJPIHATVVOHKMA-UHFFFAOYSA-N 453.292 4.441 50 10 JIGE O=C(COc1ccc(Br)cc1Cl)NN=Cc1cc(Br)ccc1O 1084094590 UAAQENCALYBRKB-UHFFFAOYSA-N 462.525 4.100 50 10 JIGE C#Cc1cccc(NC(=S)NNC(=O)c2cn(C(C)(C)C)nc2-c2ccc(F)cc2F)c1 1154050094 CPADOYPKNDWXLV-UHFFFAOYSA-N 453.518 4.196 50 10 JIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1865680688 SFIOSYJOJYAFBN-INIZCTEOSA-N 462.815 4.233 50 10 JIGE CCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865714141 DOSAYDRNWSFQSP-QFIPXVFZSA-N 453.458 4.420 50 10 JIGE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1cc(OC)c(O)c(OC)c1)C(C#N)=C(N)O2 1865715180 YRRBTALKTOCFFI-IBGZPJMESA-N 452.898 4.029 50 10 JIGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CC[C@]2(CCC[C@H]2Br)C1 1918920597 JUJJAZIIHPHNJM-BXKDBHETSA-N 463.644 4.492 50 10 JIGE CC[C@@H](Br)CN(C)C(=O)c1ccc(I)c(Br)c1 1999386376 OIDDQOCJSLNWQY-SECBINFHSA-N 474.962 4.299 50 10 JIGE O=C(CCl)c1cc(I)c(C(F)(F)F)cc1I 2060052437 CEAHMDMIBKBAPQ-UHFFFAOYSA-N 474.385 4.336 50 10 JIGE C[C@@H]1C[C@H](CBr)CN1S(=O)(=O)c1cc(Br)ccc1Br 2100319084 UKMQGFJKHYKQLZ-RKDXNWHRSA-N 476.028 4.006 50 10 JIGE O=C(NC[C@H](Cl)CC(F)(F)F)c1cc(Br)ccc1I 2119066854 ZGCJLLGWESSZGT-SSDOTTSWSA-N 470.454 4.343 50 10 JIGE C[P@]1(=O)C[C@@H](Br)[C@H](NC(=O)c2c(Br)cccc2Br)C1 2121384401 KSOTYMNXVYXVIN-HQVAUKCESA-N 473.927 4.080 50 10 JIGE Cc1csc(CBr)c1S(=O)(=O)N(C)C[C@@H]1CCN(Cc2ccccc2)C1 2123238068 SUEQBSMKYBDCQD-KRWDZBQOSA-N 457.459 4.094 50 10 JIGE C[C@H]1C[C@@H](CBr)CCN1S(=O)(=O)c1cc(Br)ccc1Br 2172484425 CQPHQLXKPYUJDO-UWVGGRQHSA-N 490.055 4.396 50 10 JIGE CC1(C)C[C@](C)(CBr)CN1C(=O)c1ccc(F)cc1I 2199538679 LGATVOHKEDOBLA-OAHLLOKOSA-N 454.121 4.456 50 10 JIGE Cc1ccc(C(=O)N[C@](C)(CBr)C(F)(F)F)cc1I 2224618293 HMJILENKGDGDGY-LLVKDONJSA-N 450.036 4.045 50 10 JIGE CC(C)(C)OC(=O)N1C[C@H](I)[C@@H](OC[C@@H]2CC(F)(F)C23CCC3)C1 2247329382 PGTXZORWMOMPHN-AVGNSLFASA-N 457.299 4.251 50 10 JIGE O=C(N[C@H]1C[C@H](CCl)[C@H]2C[C@@H]12)c1cc(Br)ccc1I 2329873829 VDBRKQMWGDNDLX-HMMKDHSLSA-N 454.533 4.047 50 10 JIGE O=C(c1cc(Br)cc(Br)c1)N1CC[C@@H]2[C@H](C1)[C@@H]2CBr 2333116859 GPNOWVBZTFOHMS-XQQFMLRXSA-N 451.984 4.315 50 10 JIGE